data_4079 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the A-Domain of HMG1 and Its Interaction with DNA As Studied by Heteronuclear Three- and Four-Dimensional NMR Spectroscopy ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hardman Colin H. . 2 Broadhurst R. William . 3 Raine Andrew R.C. . 4 Grasser Klaus D. . 5 Thomas Jean O. . 6 Laue Ernest D. . stop_ _BMRB_accession_number 4079 _BMRB_flat_file_name bmr4079.str _Entry_type reformat _Submission_date 1997-12-07 _Accession_date 1997-12-07 _Entry_origination BMRB _NMR_STAR_version 2.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 543 '13C chemical shifts' 305 '15N chemical shifts' 79 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-02-17 reformat BMRB 'Format updated to NMR-STAR version 2.1' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Hardman, C. H., Broadhurst, R. W., Raine, A. R.C., Grasser , K. D., Thomas, J. O.,and Laue, E. D., "Structure of the A-Domain of HMG1 and Its Interaction with DNA As Studied by Heteronuclear Three- and Four-Dimensional NMR Spectroscopy," Biochemistry 34, 16596-16607 (1995). ; _Citation_title ; Structure of the A-Domain of HMG1 and Its Interaction with DNA As Studied by Heteronuclear Three- and Four-Dimensional NMR Spectroscopy ; _Citation_status published _Citation_type journal _MEDLINE_UI_code . _PubMed_ID . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hardman Colin H. . 2 Broadhurst R. William . 3 Raine Andrew R.C. . 4 Grasser Klaus D. . 5 Thomas Jean O. . 6 Laue Ernest D. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 34 _Journal_issue 51 _Page_first 16596 _Page_last 16607 _Year 1995 loop_ _Keyword NMR 'nuclear magnetic resonance' HMG1 'high mobility group protein 1' 'A-domain of HMG1' stop_ save_ ################################## # Molecular system description # ################################## save_system_A_domain_HMG1 _Saveframe_category molecular_system _Mol_system_name 'A-domain HMG1' _Abbreviation_common 'A-domain HMG1' loop_ _Mol_system_component_name _Mol_label 'A-domain HMG1' $A-domain_HMG1 stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function ; A-domain of HMG1 (high mobility group, non-histone chromosomal protein) are DNA binding proteins involved in replication,transcription, and chromatin assembly ; stop_ save_ ######################## # Monomeric polymers # ######################## save_A-domain_HMG1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'A-domain of HMG1' _Name_variant . _Abbreviation_common 'A-domain of HMG1' _Mol_thiol_state 'all free' _Details ; The A-domain of HMG1 (as a CYS to SER mutant at position 22), without effect on its DNA-binding properties, has been studied using heteronuclear three- and four-dimensional NMR spectroscopy ; ############################## # Polymer residue sequence # ############################## _Residue_count 83 _Mol_residue_sequence ; GKGDPKKPRGKMSSYAFFVQ TSREEHKKKHPDASVNFSEF SKKCSERWKTMSAKEKGKFE DMAKADKARYEREMKTYIPP KGE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 LYS 3 GLY 4 ASP 5 PRO 6 LYS 7 LYS 8 PRO 9 ARG 10 GLY 11 LYS 12 MET 13 SER 14 SER 15 TYR 16 ALA 17 PHE 18 PHE 19 VAL 20 GLN 21 THR 22 SER 23 ARG 24 GLU 25 GLU 26 HIS 27 LYS 28 LYS 29 LYS 30 HIS 31 PRO 32 ASP 33 ALA 34 SER 35 VAL 36 ASN 37 PHE 38 SER 39 GLU 40 PHE 41 SER 42 LYS 43 LYS 44 CYS 45 SER 46 GLU 47 ARG 48 TRP 49 LYS 50 THR 51 MET 52 SER 53 ALA 54 LYS 55 GLU 56 LYS 57 GLY 58 LYS 59 PHE 60 GLU 61 ASP 62 MET 63 ALA 64 LYS 65 ALA 66 ASP 67 LYS 68 ALA 69 ARG 70 TYR 71 GLU 72 ARG 73 GLU 74 MET 75 LYS 76 THR 77 TYR 78 ILE 79 PRO 80 PRO 81 LYS 82 GLY 83 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2012-04-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1AAB "Nmr Structure Of Rat Hmg1 Hmga Fragment" 100.00 83 100.00 100.00 4.69e-52 PDB 1CKT "Crystal Structure Of Hmg1 Domain A Bound To A Cisplatin-Modified Dna Duplex" 85.54 71 98.59 98.59 7.08e-42 DBJ BAA09924 "HMG-1 [Homo sapiens]" 100.00 215 97.59 97.59 2.83e-48 DBJ BAD92235 "high-mobility group box 1 variant [Homo sapiens]" 100.00 176 98.80 98.80 3.20e-50 DBJ BAE87821 "unnamed protein product [Macaca fascicularis]" 100.00 123 98.80 98.80 1.53e-50 DBJ BAH14201 "unnamed protein product [Homo sapiens]" 100.00 174 98.80 98.80 4.00e-50 EMBL CAI15601 "high-mobility group box 1 [Homo sapiens]" 100.00 162 98.80 98.80 1.90e-50 EMBL CAI15603 "high-mobility group box 1 [Homo sapiens]" 100.00 158 98.80 98.80 4.67e-50 EMBL CAI15606 "high-mobility group box 1 [Homo sapiens]" 100.00 97 98.80 98.80 4.15e-51 GB AAF71287 "high mobility group protein HMG1 [Homo sapiens]" 59.04 50 97.96 97.96 5.33e-26 GB AAH64790 "Hmgb1 protein [Mus musculus]" 100.00 215 98.80 98.80 1.34e-49 GB AAK64599 "high mobility group 1 protein [Homo sapiens]" 59.04 50 97.96 97.96 5.33e-26 GB AAP86257 "Ac2-008 [Rattus norvegicus]" 100.00 234 98.80 98.80 4.18e-50 GB EDL14371 "mCG8587 [Mus musculus]" 96.39 130 98.75 98.75 2.49e-49 REF XP_001059167 "PREDICTED: high mobility group box 1 [Rattus norvegicus]" 100.00 215 97.59 97.59 3.44e-48 REF XP_001068941 "PREDICTED: high mobility group box 1 [Rattus norvegicus]" 100.00 214 97.59 97.59 1.09e-48 REF XP_001074673 "PREDICTED: high mobility group box 1 [Rattus norvegicus]" 100.00 213 97.59 97.59 2.51e-49 REF XP_001076232 "PREDICTED: high mobility group box 1 [Rattus norvegicus]" 100.00 214 97.59 97.59 1.09e-48 REF XP_001503141 "PREDICTED: high mobility group protein B1-like [Equus caballus]" 100.00 215 97.59 98.80 6.10e-49 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $A-domain_HMG1 rat . Eukaryota Metazoa Rattus norvegicus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name _Gene_source $A-domain_HMG1 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) plasmid 'pT7-7-HMG1-A or pT7-7-HMG1-A(C22S)' native stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $A-domain_HMG1 . mM 2 5 . D2O 10 % . . . H2O 90 % . . . 'sodium phosphate' 10 mM . . . NaCl 0.15 M . . . DTT 50 uM . . . NaN3 .02 % . . . stop_ save_ save_sample_two _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $A-domain_HMG1 . mM 2 5 '[U-15N]' D2O 10 % . . . H2O 90 % . . . 'sodium phosphate' 10 mM . . . NaCl 0.15 M . . . DTT 50 uM . . . NaN3 .02 % . . . stop_ save_ save_sample_three _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $A-domain_HMG1 . mM 2 5 '[U-13C]' D2O 10 % . . . H2O 90 % . . . 'sodium phosphate' 10 mM . . . NaCl 0.15 M . . . DTT 50 uM . . . NaN3 .02 % . . . stop_ save_ save_sample_four _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $A-domain_HMG1 . mM 2 5 '[U-15N;U-13C]' D2O 10 % . . . H2O 90 % . . . 'sodium phosphate' 10 mM . . . NaCl 0.15 M . . . DTT 50 uM . . . NaN3 .02 % . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 600 save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.0 . n/a temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type . H 1 . ppm . . . . C 13 . ppm . . . . N 15 . ppm . . . stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_four stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chem_shift_reference _Mol_system_component_name 'A-domain HMG1' loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 GLY HA2 H 3.74 . 1 2 1 GLY HA3 H 3.74 . 1 3 1 GLY CA C 42.75 . 1 4 2 LYS H H 8.65 . 1 5 2 LYS HA H 4.13 . 1 6 2 LYS HB2 H 1.64 . 1 7 2 LYS HB3 H 1.64 . 1 8 2 LYS HG2 H 1.27 . 1 9 2 LYS HG3 H 1.27 . 1 10 2 LYS HD2 H 1.52 . 1 11 2 LYS HD3 H 1.52 . 1 12 2 LYS HE2 H 2.85 . 1 13 2 LYS HE3 H 2.85 . 1 14 2 LYS CA C 56.79 . 1 15 2 LYS CB C 32.61 . 1 16 2 LYS CG C 24.59 . 1 17 2 LYS CD C 29.20 . 1 18 2 LYS CE C 41.87 . 1 19 2 LYS N N 119.91 . 1 20 3 GLY H H 8.56 . 1 21 3 GLY HA2 H 3.80 . 1 22 3 GLY HA3 H 3.80 . 1 23 3 GLY CA C 44.68 . 1 24 3 GLY N N 109.23 . 1 25 4 ASP H H 8.07 . 1 26 4 ASP HA H 4.74 . 1 27 4 ASP HB2 H 2.65 . 2 28 4 ASP HB3 H 2.49 . 2 29 4 ASP CA C 51.88 . 1 30 4 ASP CB C 40.55 . 1 31 4 ASP N N 119.94 . 1 32 5 PRO HA H 4.32 . 1 33 5 PRO HB2 H 2.20 . 2 34 5 PRO HB3 H 1.85 . 2 35 5 PRO HG2 H 1.90 . 1 36 5 PRO HG3 H 1.90 . 1 37 5 PRO HD2 H 3.78 . 2 38 5 PRO HD3 H 3.70 . 2 39 5 PRO CA C 63.19 . 1 40 5 PRO CB C 31.92 . 1 41 5 PRO CG C 27.09 . 1 42 5 PRO CD C 50.61 . 1 43 6 LYS H H 8.25 . 1 44 6 LYS HA H 4.14 . 1 45 6 LYS HB2 H 1.68 . 1 46 6 LYS HB3 H 1.68 . 1 47 6 LYS HG2 H 1.28 . 1 48 6 LYS HG3 H 1.28 . 1 49 6 LYS HD2 H 1.53 . 1 50 6 LYS HD3 H 1.53 . 1 51 6 LYS HE2 H 2.87 . 1 52 6 LYS HE3 H 2.87 . 1 53 6 LYS CA C 55.45 . 1 54 6 LYS CB C 32.16 . 1 55 6 LYS CG C 24.33 . 1 56 6 LYS CD C 28.66 . 1 57 6 LYS CE C 41.76 . 1 58 6 LYS N N 118.77 . 1 59 7 LYS H H 7.86 . 1 60 7 LYS HA H 3.67 . 1 61 7 LYS HB2 H 1.51 . 2 62 7 LYS HB3 H 1.43 . 2 63 7 LYS HG2 H 1.18 . 2 64 7 LYS HG3 H 0.90 . 2 65 7 LYS HD2 H 1.50 . 1 66 7 LYS HD3 H 1.50 . 1 67 7 LYS HE2 H 2.84 . 1 68 7 LYS HE3 H 2.84 . 1 69 7 LYS CA C 54.24 . 1 70 7 LYS CB C 32.58 . 1 71 7 LYS CG C 24.10 . 1 72 7 LYS CD C 29.06 . 1 73 7 LYS CE C 41.70 . 1 74 7 LYS N N 122.22 . 1 75 8 PRO HA H 4.07 . 1 76 8 PRO HB2 H 2.23 . 2 77 8 PRO HB3 H 1.35 . 2 78 8 PRO HG2 H 1.38 . 1 79 8 PRO HG3 H 1.38 . 1 80 8 PRO HD2 H 3.16 . 2 81 8 PRO HD3 H 2.77 . 2 82 8 PRO CA C 62.59 . 1 83 8 PRO CB C 31.50 . 1 84 8 PRO CG C 27.96 . 1 85 8 PRO CD C 50.62 . 1 86 9 ARG H H 8.86 . 1 87 9 ARG HA H 4.01 . 1 88 9 ARG HB2 H 1.65 . 1 89 9 ARG HB3 H 1.65 . 1 90 9 ARG HG2 H 1.76 . 2 91 9 ARG HG3 H 1.54 . 2 92 9 ARG HD2 H 3.12 . 2 93 9 ARG HD3 H 3.05 . 2 94 9 ARG CA C 56.23 . 1 95 9 ARG CB C 30.04 . 1 96 9 ARG CG C 26.73 . 1 97 9 ARG CD C 42.99 . 1 98 9 ARG N N 122.99 . 1 99 10 GLY H H 8.54 . 1 100 10 GLY HA2 H 3.76 . 2 101 10 GLY HA3 H 3.54 . 2 102 10 GLY CA C 44.91 . 1 103 10 GLY N N 109.32 . 1 104 11 LYS H H 7.59 . 1 105 11 LYS HA H 3.92 . 1 106 11 LYS HB2 H 1.39 . 1 107 11 LYS HB3 H 1.39 . 1 108 11 LYS HG2 H 1.04 . 2 109 11 LYS HG3 H 0.69 . 2 110 11 LYS HD2 H 1.45 . 2 111 11 LYS HD3 H 1.36 . 2 112 11 LYS HE2 H 2.64 . 2 113 11 LYS HE3 H 2.40 . 2 114 11 LYS CA C 56.19 . 1 115 11 LYS CB C 31.69 . 1 116 11 LYS CG C 24.12 . 1 117 11 LYS CD C 28.86 . 1 118 11 LYS CE C 41.08 . 1 119 11 LYS N N 118.71 . 1 120 12 MET H H 8.94 . 1 121 12 MET HA H 4.26 . 1 122 12 MET HB2 H 1.42 . 2 123 12 MET HB3 H 1.28 . 2 124 12 MET HG2 H 2.03 . 2 125 12 MET HG3 H 1.97 . 2 126 12 MET HE H 1.10 . 1 127 12 MET CA C 54.63 . 1 128 12 MET CB C 34.76 . 1 129 12 MET CG C 31.68 . 1 130 12 MET CE C 15.04 . 1 131 12 MET N N 123.37 . 1 132 13 SER H H 8.12 . 1 133 13 SER HA H 4.49 . 1 134 13 SER HB2 H 4.38 . 2 135 13 SER HB3 H 3.93 . 2 136 13 SER CA C 56.80 . 1 137 13 SER CB C 65.41 . 1 138 13 SER N N 117.58 . 1 139 14 SER H H 9.22 . 1 140 14 SER HA H 4.22 . 1 141 14 SER HB2 H 4.00 . 2 142 14 SER HB3 H 3.973 . 2 143 14 SER CA C 61.08 . 1 144 14 SER CB C 62.08 . 1 145 14 SER N N 114.89 . 1 146 15 TYR H H 7.91 . 1 147 15 TYR HA H 2.63 . 1 148 15 TYR HB2 H 2.22 . 2 149 15 TYR HB3 H 2.192 . 2 150 15 TYR HD1 H 5.74 . 1 151 15 TYR HD2 H 5.74 . 1 152 15 TYR HE1 H 6.26 . 1 153 15 TYR HE2 H 6.26 . 1 154 15 TYR CA C 60.24 . 1 155 15 TYR CB C 37.63 . 1 156 15 TYR CD1 C 132.1 . 1 157 15 TYR CD2 C 132.1 . 1 158 15 TYR CE1 C 117.06 . 1 159 15 TYR CE2 C 117.06 . 1 160 15 TYR N N 120.66 . 1 161 16 ALA H H 7.82 . 1 162 16 ALA HA H 3.55 . 1 163 16 ALA HB H 1.24 . 1 164 16 ALA CA C 54.85 . 1 165 16 ALA CB C 17.63 . 1 166 16 ALA N N 120.38 . 1 167 17 PHE H H 8.28 . 1 168 17 PHE HA H 4.06 . 1 169 17 PHE HB2 H 3.52 . 2 170 17 PHE HB3 H 3.26 . 2 171 17 PHE HD1 H 7.18 . 1 172 17 PHE HD2 H 7.18 . 1 173 17 PHE HE1 H 7.21 . 1 174 17 PHE HE2 H 7.21 . 1 175 17 PHE HZ H 7.21 . 1 176 17 PHE CA C 63.40 . 1 177 17 PHE CB C 39.44 . 1 178 17 PHE CD1 C 131.68 . 1 179 17 PHE CD2 C 131.68 . 1 180 17 PHE CE1 C 131.29 . 1 181 17 PHE CE2 C 131.29 . 1 182 17 PHE CZ C 129.29 . 1 183 17 PHE N N 116.56 . 1 184 18 PHE H H 8.06 . 1 185 18 PHE HA H 3.52 . 1 186 18 PHE HB2 H 2.41 . 2 187 18 PHE HB3 H 1.95 . 2 188 18 PHE HD1 H 6.33 . 1 189 18 PHE HD2 H 6.33 . 1 190 18 PHE HE1 H 7.32 . 1 191 18 PHE HE2 H 7.32 . 1 192 18 PHE HZ H 7.04 . 1 193 18 PHE CA C 60.43 . 1 194 18 PHE CB C 38.03 . 1 195 18 PHE CD1 C 131.68 . 1 196 18 PHE CD2 C 131.68 . 1 197 18 PHE CE1 C 130.64 . 1 198 18 PHE CE2 C 130.64 . 1 199 18 PHE CZ C 129.81 . 1 200 18 PHE N N 124.45 . 1 201 19 VAL H H 8.31 . 1 202 19 VAL HA H 2.89 . 1 203 19 VAL HB H 1.55 . 1 204 19 VAL HG1 H 0.70 . 2 205 19 VAL HG2 H 0.08 . 2 206 19 VAL CA C 66.76 . 1 207 19 VAL CB C 31.11 . 1 208 19 VAL CG1 C 20.85 . 2 209 19 VAL CG2 C 22.36 . 2 210 19 VAL N N 123.29 . 1 211 20 GLN H H 7.91 . 1 212 20 GLN HA H 3.78 . 1 213 20 GLN HB2 H 1.99 . 2 214 20 GLN HB3 H 1.92 . 2 215 20 GLN HG2 H 2.15 . 1 216 20 GLN HG3 H 2.15 . 1 217 20 GLN HE21 H 7.71 . 2 218 20 GLN HE22 H 6.69 . 2 219 20 GLN CA C 59.27 . 1 220 20 GLN CB C 29.16 . 1 221 20 GLN CG C 33.44 . 1 222 20 GLN N N 117.24 . 1 223 20 GLN NE2 N 110.26 . 1 224 21 THR H H 8.50 . 1 225 21 THR HA H 3.98 . 1 226 21 THR HB H 4.24 . 1 227 21 THR HG2 H 1.39 . 1 228 21 THR CA C 66.39 . 1 229 21 THR CB C 69.00 . 1 230 21 THR CG2 C 21.14 . 1 231 21 THR N N 113.41 . 1 232 22 SER H H 8.17 . 1 233 22 SER HA H 4.13 . 1 234 22 SER HB2 H 3.75 . 2 235 22 SER HB3 H 3.50 . 2 236 22 SER CA C 62.19 . 1 237 22 SER CB C 61.89 . 1 238 22 SER N N 117.32 . 1 239 23 ARG H H 8.74 . 1 240 23 ARG HA H 3.48 . 1 241 23 ARG HB2 H 1.79 . 2 242 23 ARG HB3 H 1.68 . 2 243 23 ARG HG2 H 1.24 . 1 244 23 ARG HG3 H 1.24 . 1 245 23 ARG HD2 H 2.77 . 1 246 23 ARG HD3 H 2.77 . 1 247 23 ARG CA C 59.43 . 1 248 23 ARG CB C 29.74 . 1 249 23 ARG CG C 27.26 . 1 250 23 ARG CD C 42.97 . 1 251 23 ARG N N 123.53 . 1 252 24 GLU H H 7.96 . 1 253 24 GLU HA H 3.87 . 1 254 24 GLU HB2 H 1.95 . 2 255 24 GLU HB3 H 1.78 . 2 256 24 GLU HG2 H 2.34 . 1 257 24 GLU HG3 H 2.21 . 2 258 24 GLU CA C 58.91 . 1 259 24 GLU CB C 29.36 . 1 260 24 GLU CG C 35.45 . 1 261 24 GLU N N 118.63 . 1 262 25 GLU H H 8.28 . 1 263 25 GLU HA H 3.92 . 1 264 25 GLU HB2 H 2.09 . 2 265 25 GLU HB3 H 1.98 . 2 266 25 GLU HG2 H 2.35 . 1 267 25 GLU HG3 H 2.19 . 2 268 25 GLU CA C 58.90 . 1 269 25 GLU CB C 29.13 . 1 270 25 GLU CG C 35.81 . 1 271 25 GLU N N 118.33 . 1 272 26 HIS H H 8.10 . 1 273 26 HIS HA H 4.18 . 1 274 26 HIS HB2 H 3.19 . 2 275 26 HIS HB3 H 3.02 . 2 276 26 HIS HD2 H 7.10 . 1 277 26 HIS HE1 H 8.11 . 1 278 26 HIS CA C 59.65 . 1 279 26 HIS CB C 28.87 . 1 280 26 HIS CD2 C 119.83 . 1 281 26 HIS CE1 C 136.56 . 1 282 26 HIS N N 117.41 . 1 283 27 LYS H H 7.87 . 1 284 27 LYS HA H 3.84 . 1 285 27 LYS HB2 H 1.73 . 1 286 27 LYS HB3 H 1.73 . 1 287 27 LYS HG2 H 1.37 . 2 288 27 LYS HG3 H 1.27 . 2 289 27 LYS HD2 H 1.54 . 1 290 27 LYS HD3 H 1.54 . 1 291 27 LYS HE2 H 2.80 . 1 292 27 LYS HE3 H 2.80 . 1 293 27 LYS CA C 58.00 . 1 294 27 LYS CB C 31.82 . 1 295 27 LYS CG C 24.64 . 1 296 27 LYS CD C 28.94 . 1 297 27 LYS CE C 41.75 . 1 298 27 LYS N N 117.36 . 1 299 28 LYS H H 7.52 . 1 300 28 LYS HA H 3.84 . 1 301 28 LYS HB2 H 1.71 . 1 302 28 LYS HB3 H 1.71 . 1 303 28 LYS HG2 H 1.31 . 1 304 28 LYS HG3 H 1.31 . 1 305 28 LYS HD2 H 1.52 . 1 306 28 LYS HD3 H 1.52 . 1 307 28 LYS HE2 H 2.81 . 1 308 28 LYS HE3 H 2.81 . 1 309 28 LYS CA C 58.21 . 1 310 28 LYS CB C 32.07 . 1 311 28 LYS CG C 25.00 . 1 312 28 LYS CD C 29.03 . 1 313 28 LYS CE C 41.84 . 1 314 28 LYS N N 115.56 . 1 315 29 LYS H H 7.45 . 1 316 29 LYS HA H 3.86 . 1 317 29 LYS HB2 H 1.42 . 2 318 29 LYS HB3 H 1.20 . 2 319 29 LYS HG2 H 1.25 . 2 320 29 LYS HG3 H 1.08 . 2 321 29 LYS HD2 H 1.47 . 1 322 29 LYS HD3 H 1.47 . 1 323 29 LYS HE2 H 2.80 . 1 324 29 LYS HE3 H 2.80 . 1 325 29 LYS CA C 56.84 . 1 326 29 LYS CB C 33.30 . 1 327 29 LYS CG C 25.10 . 1 328 29 LYS CD C 28.74 . 1 329 29 LYS CE C 41.75 . 1 330 29 LYS N N 114.38 . 1 331 30 HIS H H 7.81 . 1 332 30 HIS HA H 4.88 . 1 333 30 HIS HB2 H 2.82 . 2 334 30 HIS HB3 H 2.55 . 2 335 30 HIS HD2 H 6.71 . 1 336 30 HIS HE1 H 8.50 . 1 337 30 HIS CA C 51.96 . 1 338 30 HIS CB C 28.20 . 1 339 30 HIS CD2 C 120.04 . 1 340 30 HIS CE1 C 136.01 . 1 341 30 HIS N N 113.68 . 1 342 31 PRO HA H 4.36 . 1 343 31 PRO HB2 H 2.20 . 2 344 31 PRO HB3 H 1.79 . 2 345 31 PRO HG2 H 1.80 . 1 346 31 PRO HG3 H 1.80 . 1 347 31 PRO HD2 H 3.42 . 2 348 31 PRO HD3 H 3.17 . 2 349 31 PRO CA C 64.69 . 1 350 31 PRO CB C 31.59 . 1 351 31 PRO CG C 26.90 . 1 352 31 PRO CD C 50.09 . 1 353 32 ASP H H 8.48 . 1 354 32 ASP HA H 4.49 . 1 355 32 ASP HB2 H 2.61 . 2 356 32 ASP HB3 H 2.53 . 2 357 32 ASP CA C 53.45 . 1 358 32 ASP CB C 40.39 . 1 359 32 ASP N N 114.78 . 1 360 33 ALA H H 7.47 . 1 361 33 ALA HA H 4.31 . 1 362 33 ALA HB H 1.25 . 1 363 33 ALA CA C 51.62 . 1 364 33 ALA CB C 19.73 . 1 365 33 ALA N N 121.53 . 1 366 34 SER H H 8.51 . 1 367 34 SER HA H 4.37 . 1 368 34 SER HB2 H 3.68 . 1 369 34 SER HB3 H 3.68 . 1 370 34 SER CA C 57.55 . 1 371 34 SER CB C 63.23 . 1 372 34 SER N N 116.23 . 1 373 35 VAL H H 8.24 . 1 374 35 VAL HA H 3.86 . 1 375 35 VAL HB H 1.63 . 1 376 35 VAL HG1 H 0.32 . 2 377 35 VAL HG2 H 0.47 . 2 378 35 VAL CA C 61.26 . 1 379 35 VAL CB C 32.92 . 1 380 35 VAL CG1 C 20.33 . 2 381 35 VAL CG2 C 20.27 . 2 382 35 VAL N N 121.44 . 1 383 36 ASN H H 8.63 . 1 384 36 ASN HA H 4.62 . 1 385 36 ASN HB2 H 2.81 . 2 386 36 ASN HB3 H 2.64 . 2 387 36 ASN HD21 H 7.64 . 2 388 36 ASN HD22 H 6.96 . 2 389 36 ASN CA C 52.09 . 1 390 36 ASN CB C 38.05 . 1 391 36 ASN N N 124.01 . 1 392 36 ASN ND2 N 111.80 . 1 393 37 PHE H H 8.91 . 1 394 37 PHE HA H 4.04 . 1 395 37 PHE HB2 H 3.07 . 2 396 37 PHE HB3 H 2.98 . 2 397 37 PHE HD1 H 7.06 . 1 398 37 PHE HD2 H 7.06 . 1 399 37 PHE HE1 H 7.11 . 1 400 37 PHE HE2 H 7.11 . 1 401 37 PHE HZ H 7.12 . 1 402 37 PHE CA C 61.64 . 1 403 37 PHE CB C 38.64 . 1 404 37 PHE CD1 C 131.14 . 1 405 37 PHE CD2 C 131.14 . 1 406 37 PHE CE1 C 131.02 . 1 407 37 PHE CE2 C 131.02 . 1 408 37 PHE CZ C 129.6 . 1 409 37 PHE N N 124.85 . 1 410 38 SER H H 8.58 . 1 411 38 SER HA H 4.03 . 1 412 38 SER HB2 H 3.84 . 1 413 38 SER HB3 H 3.84 . 1 414 38 SER CA C 61.46 . 1 415 38 SER CB C 62.39 . 1 416 38 SER N N 115.13 . 1 417 39 GLU H H 7.81 . 1 418 39 GLU HA H 3.91 . 1 419 39 GLU HB2 H 1.89 . 1 420 39 GLU HB3 H 1.89 . 1 421 39 GLU HG2 H 2.23 . 1 422 39 GLU HG3 H 2.11 . 2 423 39 GLU CA C 58.48 . 1 424 39 GLU CB C 29.61 . 1 425 39 GLU CG C 35.50 . 1 426 39 GLU N N 120.86 . 1 427 40 PHE H H 8.51 . 1 428 40 PHE HA H 3.90 . 1 429 40 PHE HB2 H 2.91 . 2 430 40 PHE HB3 H 2.64 . 2 431 40 PHE HD1 H 6.78 . 1 432 40 PHE HD2 H 6.78 . 1 433 40 PHE HE1 H 6.81 . 1 434 40 PHE HE2 H 6.81 . 1 435 40 PHE HZ H 6.65 . 1 436 40 PHE CA C 61.45 . 1 437 40 PHE CB C 39.32 . 1 438 40 PHE CD1 C 130.44 . 1 439 40 PHE CD2 C 130.44 . 1 440 40 PHE CE1 C 131.16 . 1 441 40 PHE CE2 C 131.16 . 1 442 40 PHE CZ C 129.12 . 1 443 40 PHE N N 120.20 . 1 444 41 SER H H 8.39 . 1 445 41 SER HA H 3.59 . 1 446 41 SER HB2 H 3.66 . 1 447 41 SER HB3 H 3.66 . 1 448 41 SER CA C 61.88 . 1 449 41 SER CB C 61.99 . 1 450 41 SER N N 113.64 . 1 451 42 LYS H H 7.41 . 1 452 42 LYS HA H 3.92 . 1 453 42 LYS HB2 H 1.75 . 1 454 42 LYS HB3 H 1.75 . 1 455 42 LYS HG2 H 1.37 . 2 456 42 LYS HG3 H 1.21 . 2 457 42 LYS HD2 H 1.49 . 1 458 42 LYS HD3 H 1.49 . 1 459 42 LYS HE2 H 2.80 . 1 460 42 LYS HE3 H 2.80 . 1 461 42 LYS CA C 59.14 . 1 462 42 LYS CB C 31.73 . 1 463 42 LYS CG C 24.61 . 1 464 42 LYS CD C 29.07 . 1 465 42 LYS CE C 41.62 . 1 466 42 LYS N N 120.78 . 1 467 43 LYS H H 7.75 . 1 468 43 LYS HA H 3.93 . 1 469 43 LYS HB2 H 1.64 . 1 470 43 LYS HB3 H 1.64 . 1 471 43 LYS HG2 H 1.39 . 2 472 43 LYS HG3 H 1.26 . 2 473 43 LYS HD2 H 1.47 . 1 474 43 LYS HD3 H 1.47 . 1 475 43 LYS HE2 H 2.80 . 1 476 43 LYS HE3 H 2.80 . 1 477 43 LYS CA C 58.85 . 1 478 43 LYS CB C 31.08 . 1 479 43 LYS CG C 24.69 . 1 480 43 LYS CD C 28.54 . 1 481 43 LYS CE C 41.75 . 1 482 43 LYS N N 118.20 . 1 483 44 CYS H H 8.00 . 1 484 44 CYS HA H 3.98 . 1 485 44 CYS HB2 H 2.92 . 2 486 44 CYS HB3 H 2.35 . 2 487 44 CYS CA C 64.34 . 1 488 44 CYS CB C 26.58 . 1 489 44 CYS N N 115.95 . 1 490 45 SER H H 8.28 . 1 491 45 SER HA H 4.06 . 1 492 45 SER HB2 H 3.91 . 2 493 45 SER HB3 H 3.85 . 2 494 45 SER CA C 61.83 . 1 495 45 SER CB C 62.37 . 1 496 45 SER N N 116.05 . 1 497 46 GLU H H 7.84 . 1 498 46 GLU HA H 3.94 . 1 499 46 GLU HB2 H 1.98 . 1 500 46 GLU HB3 H 1.98 . 1 501 46 GLU HG2 H 2.30 . 1 502 46 GLU HG3 H 2.18 . 2 503 46 GLU CA C 58.66 . 1 504 46 GLU CB C 29.45 . 1 505 46 GLU CG C 35.67 . 1 506 46 GLU N N 119.35 . 1 507 47 ARG H H 8.05 . 1 508 47 ARG HA H 4.01 . 1 509 47 ARG HB2 H 2.00 . 1 510 47 ARG HB3 H 2.00 . 1 511 47 ARG HG2 H 1.74 . 1 512 47 ARG HG3 H 1.74 . 1 513 47 ARG HD2 H 3.21 . 2 514 47 ARG HD3 H 3.15 . 2 515 47 ARG CA C 58.31 . 1 516 47 ARG CB C 30.31 . 1 517 47 ARG CG C 27.68 . 1 518 47 ARG CD C 43.15 . 1 519 47 ARG N N 118.40 . 1 520 48 TRP H H 8.68 . 1 521 48 TRP HA H 4.22 . 1 522 48 TRP HB2 H 3.27 . 2 523 48 TRP HB3 H 3.15 . 2 524 48 TRP HD1 H 6.90 . 1 525 48 TRP HE1 H 10.06 . 1 526 48 TRP HE3 H 6.16 . 1 527 48 TRP HZ2 H 7.48 . 1 528 48 TRP HZ3 H 6.35 . 1 529 48 TRP HH2 H 6.97 . 1 530 48 TRP CA C 59.29 . 1 531 48 TRP CB C 30.48 . 1 532 48 TRP CD1 C 127.26 . 1 533 48 TRP CE3 C 121.32 . 1 534 48 TRP CZ2 C 113.95 . 1 535 48 TRP CZ3 C 121.0 . 1 536 48 TRP CH2 C 123.71 . 1 537 48 TRP N N 119.24 . 1 538 49 LYS H H 7.35 . 1 539 49 LYS HA H 3.89 . 1 540 49 LYS HB2 H 1.83 . 1 541 49 LYS HB3 H 1.83 . 1 542 49 LYS HG2 H 1.57 . 2 543 49 LYS HG3 H 1.33 . 2 544 49 LYS HD2 H 1.53 . 1 545 49 LYS HD3 H 1.53 . 1 546 49 LYS HE2 H 2.80 . 1 547 49 LYS HE3 H 2.80 . 1 548 49 LYS CA C 58.51 . 1 549 49 LYS CB C 32.54 . 1 550 49 LYS CG C 25.15 . 1 551 49 LYS CD C 29.28 . 1 552 49 LYS CE C 41.87 . 1 553 49 LYS N N 112.70 . 1 554 50 THR H H 7.33 . 1 555 50 THR HA H 4.24 . 1 556 50 THR HB H 4.31 . 1 557 50 THR HG2 H 1.06 . 1 558 50 THR CA C 60.98 . 1 559 50 THR CB C 69.50 . 1 560 50 THR CG2 C 21.48 . 1 561 50 THR N N 121.54 . 1 562 51 MET H H 7.04 . 1 563 51 MET HA H 4.05 . 1 564 51 MET HB2 H 1.66 . 2 565 51 MET HB3 H 1.45 . 2 566 51 MET HG2 H 2.36 . 1 567 51 MET HG3 H 2.36 . 1 568 51 MET HE H 1.66 . 1 569 51 MET CA C 56.17 . 1 570 51 MET CB C 34.81 . 1 571 51 MET CG C 31.30 . 1 572 51 MET CE C 16.07 . 1 573 51 MET N N 122.46 . 1 574 52 SER H H 8.93 . 1 575 52 SER HA H 4.20 . 1 576 52 SER HB2 H 4.21 . 2 577 52 SER HB3 H 3.90 . 2 578 52 SER CA C 56.76 . 1 579 52 SER CB C 65.11 . 1 580 52 SER N N 118.44 . 1 581 53 ALA H H 8.77 . 1 582 53 ALA HA H 3.77 . 1 583 53 ALA HB H 1.27 . 1 584 53 ALA CA C 55.07 . 1 585 53 ALA CB C 17.39 . 1 586 53 ALA N N 121.87 . 1 587 54 LYS H H 8.17 . 1 588 54 LYS HA H 3.90 . 1 589 54 LYS HB2 H 1.62 . 1 590 54 LYS HB3 H 1.62 . 1 591 54 LYS HG2 H 1.26 . 1 592 54 LYS HG3 H 1.26 . 1 593 54 LYS HD2 H 1.52 . 1 594 54 LYS HD3 H 1.52 . 1 595 54 LYS HE2 H 2.84 . 1 596 54 LYS HE3 H 2.84 . 1 597 54 LYS CA C 58.78 . 1 598 54 LYS CB C 31.84 . 1 599 54 LYS CG C 24.65 . 1 600 54 LYS CD C 28.81 . 1 601 54 LYS CE C 41.83 . 1 602 54 LYS N N 116.57 . 1 603 55 GLU H H 7.60 . 1 604 55 GLU HA H 3.94 . 1 605 55 GLU HB2 H 2.08 . 2 606 55 GLU HB3 H 1.97 . 2 607 55 GLU HG2 H 2.24 . 1 608 55 GLU HG3 H 2.24 . 1 609 55 GLU CA C 58.55 . 1 610 55 GLU CB C 29.94 . 1 611 55 GLU CG C 36.96 . 1 612 55 GLU N N 118.77 . 1 613 56 LYS H H 8.04 . 1 614 56 LYS HA H 4.02 . 1 615 56 LYS HB2 H 1.62 . 2 616 56 LYS HB3 H 1.41 . 2 617 56 LYS HG2 H 0.86 . 2 618 56 LYS HG3 H -0.16 . 2 619 56 LYS HD2 H 0.73 . 2 620 56 LYS HD3 H 0.66 . 2 621 56 LYS HE2 H 1.78 . 1 622 56 LYS HE3 H 1.78 . 1 623 56 LYS CA C 59.13 . 1 624 56 LYS CB C 32.73 . 1 625 56 LYS CG C 26.14 . 1 626 56 LYS CD C 28.96 . 1 627 56 LYS CE C 41.54 . 1 628 56 LYS N N 115.32 . 1 629 57 GLY H H 7.75 . 1 630 57 GLY HA2 H 3.89 . 2 631 57 GLY HA3 H 3.70 . 2 632 57 GLY CA C 47.65 . 1 633 57 GLY N N 122.49 . 1 634 58 LYS H H 7.86 . 1 635 58 LYS HA H 3.91 . 1 636 58 LYS HB2 H 1.48 . 2 637 58 LYS HB3 H 1.17 . 2 638 58 LYS HG2 H 0.69 . 2 639 58 LYS HG3 H 0.56 . 2 640 58 LYS HD2 H 1.32 . 1 641 58 LYS HD3 H 1.32 . 1 642 58 LYS HE2 H 2.63 . 1 643 58 LYS HE3 H 2.63 . 1 644 58 LYS CA C 58.68 . 1 645 58 LYS CB C 31.28 . 1 646 58 LYS CG C 23.30 . 1 647 58 LYS CD C 28.79 . 1 648 58 LYS CE C 41.36 . 1 649 58 LYS N N 117.76 . 1 650 59 PHE H H 7.21 . 1 651 59 PHE HA H 4.34 . 1 652 59 PHE HB2 H 4.00 . 2 653 59 PHE HB3 H 3.24 . 2 654 59 PHE HD1 H 7.47 . 1 655 59 PHE HD2 H 7.47 . 1 656 59 PHE HE1 H 7.58 . 1 657 59 PHE HE2 H 7.58 . 1 658 59 PHE HZ H 7.70 . 1 659 59 PHE CA C 60.37 . 1 660 59 PHE CB C 38.53 . 1 661 59 PHE CD1 C 131.57 . 1 662 59 PHE CD2 C 131.57 . 1 663 59 PHE CE1 C 131.95 . 1 664 59 PHE CE2 C 131.95 . 1 665 59 PHE CZ C 130.41 . 1 666 59 PHE N N 118.44 . 1 667 60 GLU H H 8.36 . 1 668 60 GLU HA H 4.31 . 1 669 60 GLU HB2 H 2.21 . 2 670 60 GLU HB3 H 2.10 . 2 671 60 GLU HG2 H 2.43 . 1 672 60 GLU HG3 H 2.39 . 2 673 60 GLU CA C 58.77 . 1 674 60 GLU CB C 28.42 . 1 675 60 GLU CG C 35.41 . 1 676 60 GLU N N 120.72 . 1 677 61 ASP H H 8.54 . 1 678 61 ASP HA H 4.32 . 1 679 61 ASP HB2 H 2.62 . 2 680 61 ASP HB3 H 2.45 . 2 681 61 ASP CA C 57.36 . 1 682 61 ASP CB C 39.13 . 1 683 61 ASP N N 119.59 . 1 684 62 MET H H 7.28 . 1 685 62 MET HA H 3.64 . 1 686 62 MET HB2 H 1.54 . 2 687 62 MET HB3 H 0.28 . 2 688 62 MET HG2 H 2.54 . 2 689 62 MET HG3 H 2.08 . 2 690 62 MET HE H 1.78 . 1 691 62 MET CA C 58.99 . 1 692 62 MET CB C 31.18 . 1 693 62 MET CG C 32.01 . 1 694 62 MET CE C 17.66 . 1 695 62 MET N N 119.31 . 1 696 63 ALA H H 7.95 . 1 697 63 ALA HA H 4.25 . 1 698 63 ALA HB H 1.62 . 1 699 63 ALA CA C 55.04 . 1 700 63 ALA CB C 18.22 . 1 701 63 ALA N N 121.89 . 1 702 64 LYS H H 8.52 . 1 703 64 LYS HA H 3.98 . 1 704 64 LYS HB2 H 1.87 . 1 705 64 LYS HB3 H 1.87 . 1 706 64 LYS HG2 H 1.54 . 2 707 64 LYS HG3 H 1.33 . 2 708 64 LYS HD2 H 1.61 . 1 709 64 LYS HD3 H 1.61 . 1 710 64 LYS HE2 H 2.88 . 1 711 64 LYS HE3 H 2.88 . 1 712 64 LYS CA C 59.83 . 1 713 64 LYS CB C 31.99 . 1 714 64 LYS CG C 25.27 . 1 715 64 LYS CD C 29.29 . 1 716 64 LYS CE C 41.89 . 1 717 64 LYS N N 120.78 . 1 718 65 ALA H H 7.85 . 1 719 65 ALA HA H 4.18 . 1 720 65 ALA HB H 1.37 . 1 721 65 ALA CA C 54.44 . 1 722 65 ALA CB C 17.18 . 1 723 65 ALA N N 121.34 . 1 724 66 ASP H H 8.27 . 1 725 66 ASP HA H 4.79 . 1 726 66 ASP HB2 H 2.99 . 2 727 66 ASP HB3 H 2.96 . 2 728 66 ASP CA C 57.12 . 1 729 66 ASP CB C 42.57 . 1 730 66 ASP N N 118.89 . 1 731 67 LYS H H 8.15 . 1 732 67 LYS HA H 3.89 . 1 733 67 LYS HB2 H 1.99 . 2 734 67 LYS HB3 H 1.84 . 2 735 67 LYS HG2 H 1.31 . 1 736 67 LYS HG3 H 1.31 . 1 737 67 LYS HD2 H 1.62 . 1 738 67 LYS HD3 H 1.62 . 1 739 67 LYS HE2 H 2.94 . 1 740 67 LYS HE3 H 2.94 . 1 741 67 LYS CA C 59.52 . 1 742 67 LYS CB C 32.07 . 1 743 67 LYS CG C 24.84 . 1 744 67 LYS CD C 29.65 . 1 745 67 LYS CE C 42.07 . 1 746 67 LYS N N 119.17 . 1 747 68 ALA H H 7.39 . 1 748 68 ALA HA H 4.13 . 1 749 68 ALA HB H 1.41 . 1 750 68 ALA CA C 54.57 . 1 751 68 ALA CB C 17.38 . 1 752 68 ALA N N 119.29 . 1 753 69 ARG H H 7.89 . 1 754 69 ARG HA H 3.86 . 1 755 69 ARG HB2 H 2.36 . 2 756 69 ARG HB3 H 1.91 . 2 757 69 ARG HG2 H 1.81 . 2 758 69 ARG HG3 H 1.63 . 2 759 69 ARG HD2 H 3.05 . 2 760 69 ARG HD3 H 2.97 . 2 761 69 ARG CA C 59.08 . 1 762 69 ARG CB C 27.27 . 1 763 69 ARG CG C 24.90 . 1 764 69 ARG CD C 41.92 . 1 765 69 ARG N N 119.41 . 1 766 70 TYR H H 8.50 . 1 767 70 TYR HA H 3.81 . 1 768 70 TYR HB2 H 3.04 . 2 769 70 TYR HB3 H 2.94 . 2 770 70 TYR HD1 H 7.07 . 1 771 70 TYR HD2 H 7.07 . 1 772 70 TYR HE1 H 6.67 . 1 773 70 TYR HE2 H 6.67 . 1 774 70 TYR CA C 62.12 . 1 775 70 TYR CB C 38.88 . 1 776 70 TYR CD1 C 133.0 . 1 777 70 TYR CD2 C 133.0 . 1 778 70 TYR CE1 C 117.79 . 1 779 70 TYR CE2 C 117.79 . 1 780 70 TYR N N 120.32 . 1 781 71 GLU H H 8.37 . 1 782 71 GLU HA H 3.63 . 1 783 71 GLU HB2 H 2.00 . 2 784 71 GLU HB3 H 1.89 . 2 785 71 GLU HG2 H 2.61 . 1 786 71 GLU HG3 H 2.29 . 2 787 71 GLU CA C 58.98 . 1 788 71 GLU CB C 29.01 . 1 789 71 GLU CG C 36.50 . 1 790 71 GLU N N 115.48 . 1 791 72 ARG H H 7.95 . 1 792 72 ARG HA H 3.96 . 1 793 72 ARG HB2 H 1.86 . 1 794 72 ARG HB3 H 1.86 . 1 795 72 ARG HG2 H 1.61 . 2 796 72 ARG HG3 H 1.48 . 2 797 72 ARG HD2 H 3.13 . 1 798 72 ARG HD3 H 3.13 . 1 799 72 ARG CA C 59.18 . 1 800 72 ARG CB C 29.76 . 1 801 72 ARG CG C 27.02 . 1 802 72 ARG CD C 43.20 . 1 803 72 ARG N N 117.95 . 1 804 73 GLU H H 8.40 . 1 805 73 GLU HA H 3.87 . 1 806 73 GLU HG2 H 2.52 . 1 807 73 GLU HG3 H 2.05 . 2 808 73 GLU CA C 59.00 . 1 809 73 GLU CG C 36.96 . 1 810 73 GLU N N 118.27 . 1 811 74 MET H H 8.37 . 1 812 74 MET HA H 4.29 . 1 813 74 MET HB2 H 1.71 . 1 814 74 MET HB3 H 1.71 . 1 815 74 MET HG2 H 1.82 . 2 816 74 MET HG3 H 1.63 . 2 817 74 MET HE H 1.87 . 1 818 74 MET CA C 55.49 . 1 819 74 MET CB C 30.06 . 1 820 74 MET CG C 31.85 . 1 821 74 MET CE C 15.76 . 1 822 74 MET N N 115.82 . 1 823 75 LYS H H 7.43 . 1 824 75 LYS HA H 4.03 . 1 825 75 LYS HB2 H 1.84 . 1 826 75 LYS HB3 H 1.84 . 1 827 75 LYS HG2 H 1.53 . 2 828 75 LYS HG3 H 1.37 . 2 829 75 LYS HD2 H 1.56 . 1 830 75 LYS HD3 H 1.56 . 1 831 75 LYS HE2 H 2.83 . 1 832 75 LYS HE3 H 2.83 . 1 833 75 LYS CA C 58.30 . 1 834 75 LYS CB C 32.09 . 1 835 75 LYS CG C 25.10 . 1 836 75 LYS CD C 28.86 . 1 837 75 LYS CE C 41.68 . 1 838 75 LYS N N 117.32 . 1 839 76 THR H H 7.25 . 1 840 76 THR HA H 4.25 . 1 841 76 THR HB H 4.30 . 1 842 76 THR HG2 H 1.07 . 1 843 76 THR CA C 60.98 . 1 844 76 THR CB C 69.35 . 1 845 76 THR CG2 C 21.27 . 1 846 76 THR N N 122.04 . 1 847 77 TYR H H 7.38 . 1 848 77 TYR HA H 4.37 . 1 849 77 TYR HB2 H 2.92 . 2 850 77 TYR HB3 H 2.79 . 2 851 77 TYR HD1 H 6.95 . 1 852 77 TYR HD2 H 6.95 . 1 853 77 TYR HE1 H 6.60 . 1 854 77 TYR HE2 H 6.60 . 1 855 77 TYR CA C 58.04 . 1 856 77 TYR CB C 38.81 . 1 857 77 TYR CD1 C 132.9 . 1 858 77 TYR CD2 C 132.9 . 1 859 77 TYR CE1 C 117.27 . 1 860 77 TYR CE2 C 117.27 . 1 861 77 TYR N N 122.35 . 1 862 78 ILE H H 7.72 . 1 863 78 ILE HA H 4.13 . 1 864 78 ILE HB H 1.49 . 1 865 78 ILE HG12 H 1.28 . 2 866 78 ILE HG13 H 0.86 . 2 867 78 ILE HG2 H 0.64 . 1 868 78 ILE HD1 H 0.64 . 1 869 78 ILE CA C 56.91 . 1 870 78 ILE CB C 38.78 . 1 871 78 ILE CG1 C 26.56 . 1 872 78 ILE CG2 C 16.46 . 1 873 78 ILE CD1 C 11.98 . 1 874 78 ILE N N 111.14 . 1 875 79 PRO HA H 4.25 . 1 876 79 PRO HB2 H 2.18 . 2 877 79 PRO HB3 H 1.73 . 2 878 79 PRO HG2 H 1.84 . 2 879 79 PRO HG3 H 1.80 . 2 880 79 PRO HD2 H 3.43 . 2 881 79 PRO HD3 H 3.34 . 2 882 79 PRO CA C 60.79 . 1 883 79 PRO CB C 30.72 . 1 884 79 PRO CG C 26.96 . 1 885 79 PRO CD C 50.59 . 1 886 80 PRO HA H 4.25 . 1 887 80 PRO HB2 H 2.14 . 2 888 80 PRO HB3 H 1.73 . 2 889 80 PRO HG2 H 1.87 . 1 890 80 PRO HG3 H 1.87 . 1 891 80 PRO HD2 H 3.72 . 2 892 80 PRO HD3 H 3.48 . 2 893 80 PRO CA C 62.41 . 1 894 80 PRO CB C 31.83 . 1 895 80 PRO CG C 27.24 . 1 896 80 PRO CD C 50.50 . 1 897 81 LYS H H 8.33 . 1 898 81 LYS HA H 4.11 . 1 899 81 LYS HB2 H 1.62 . 1 900 81 LYS HB3 H 1.62 . 1 901 81 LYS HG2 H 1.27 . 1 902 81 LYS HG3 H 1.27 . 1 903 81 LYS HD2 H 1.50 . 1 904 81 LYS HD3 H 1.50 . 1 905 81 LYS HE2 H 2.83 . 1 906 81 LYS HE3 H 2.83 . 1 907 81 LYS CA C 56.31 . 1 908 81 LYS CB C 32.64 . 1 909 81 LYS CG C 24.67 . 1 910 81 LYS CD C 28.92 . 1 911 81 LYS CE C 42.01 . 1 912 81 LYS N N 120.23 . 1 913 82 GLY H H 8.40 . 1 914 82 GLY HA2 H 3.80 . 1 915 82 GLY HA3 H 3.80 . 1 916 82 GLY CA C 44.99 . 1 917 82 GLY N N 109.29 . 1 918 83 GLU H H 7.80 . 1 919 83 GLU HA H 4.01 . 1 920 83 GLU HB2 H 1.94 . 2 921 83 GLU HB3 H 1.72 . 2 922 83 GLU HG2 H 2.07 . 1 923 83 GLU HG3 H 2.07 . 1 924 83 GLU CA C 57.21 . 1 925 83 GLU CB C 30.64 . 1 926 83 GLU CG C 35.84 . 1 927 83 GLU N N 123.97 . 1 stop_ save_