data_7115 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments of the apo-form of human eIF4E ; _BMRB_accession_number 7115 _BMRB_flat_file_name bmr7115.str _Entry_type original _Submission_date 2006-05-17 _Accession_date 2006-05-17 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Volpon Laurent . . 2 Osborne Michael J. . 3 Borden Katherine L.B. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 731 "13C chemical shifts" 553 "15N chemical shifts" 213 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-09 update BMRB 'complete entry citation' 2006-09-11 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignment of human eukaryotic translation initiation factor 4E (eIF4E) in its cap-free form' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16871426 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Volpon Laurent . . 2 Osborne Michael J. . 3 Borden Katherine L.B. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 'Suppl. 5' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 65 _Page_last 65 _Year 2006 _Details . loop_ _Keyword 'apo eIF4E' NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name eIF4E _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label eIF4E $Eukaryotic_Translation_Initiation_Factor_4E stop_ _System_molecular_weight 25097 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'translation initiation factor' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Eukaryotic_Translation_Initiation_Factor_4E _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common eIF4E _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'translation initiation factor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 217 _Mol_residue_sequence ; MATVEPETTPTPNPPTTEEE KTESNQEVANPEHYIKHPLQ NRWALWFFKNDKSKTWQANL RLISKFDTVEDFWALYNHIQ LSSNLMPGCDYSLFKDGIEP MWEDEKNKRGGRWLITLNKQ QRRSDLDRFWLETLLCLIGE SFDDYSDDVCGAVVNVRAKG DKIAIWTTECENREAVTHIG RVYKERLGLPPKIVIGYQSH ADTATKSGSTTKNRFVV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ALA 3 3 THR 4 4 VAL 5 5 GLU 6 6 PRO 7 7 GLU 8 8 THR 9 9 THR 10 10 PRO 11 11 THR 12 12 PRO 13 13 ASN 14 14 PRO 15 15 PRO 16 16 THR 17 17 THR 18 18 GLU 19 19 GLU 20 20 GLU 21 21 LYS 22 22 THR 23 23 GLU 24 24 SER 25 25 ASN 26 26 GLN 27 27 GLU 28 28 VAL 29 29 ALA 30 30 ASN 31 31 PRO 32 32 GLU 33 33 HIS 34 34 TYR 35 35 ILE 36 36 LYS 37 37 HIS 38 38 PRO 39 39 LEU 40 40 GLN 41 41 ASN 42 42 ARG 43 43 TRP 44 44 ALA 45 45 LEU 46 46 TRP 47 47 PHE 48 48 PHE 49 49 LYS 50 50 ASN 51 51 ASP 52 52 LYS 53 53 SER 54 54 LYS 55 55 THR 56 56 TRP 57 57 GLN 58 58 ALA 59 59 ASN 60 60 LEU 61 61 ARG 62 62 LEU 63 63 ILE 64 64 SER 65 65 LYS 66 66 PHE 67 67 ASP 68 68 THR 69 69 VAL 70 70 GLU 71 71 ASP 72 72 PHE 73 73 TRP 74 74 ALA 75 75 LEU 76 76 TYR 77 77 ASN 78 78 HIS 79 79 ILE 80 80 GLN 81 81 LEU 82 82 SER 83 83 SER 84 84 ASN 85 85 LEU 86 86 MET 87 87 PRO 88 88 GLY 89 89 CYS 90 90 ASP 91 91 TYR 92 92 SER 93 93 LEU 94 94 PHE 95 95 LYS 96 96 ASP 97 97 GLY 98 98 ILE 99 99 GLU 100 100 PRO 101 101 MET 102 102 TRP 103 103 GLU 104 104 ASP 105 105 GLU 106 106 LYS 107 107 ASN 108 108 LYS 109 109 ARG 110 110 GLY 111 111 GLY 112 112 ARG 113 113 TRP 114 114 LEU 115 115 ILE 116 116 THR 117 117 LEU 118 118 ASN 119 119 LYS 120 120 GLN 121 121 GLN 122 122 ARG 123 123 ARG 124 124 SER 125 125 ASP 126 126 LEU 127 127 ASP 128 128 ARG 129 129 PHE 130 130 TRP 131 131 LEU 132 132 GLU 133 133 THR 134 134 LEU 135 135 LEU 136 136 CYS 137 137 LEU 138 138 ILE 139 139 GLY 140 140 GLU 141 141 SER 142 142 PHE 143 143 ASP 144 144 ASP 145 145 TYR 146 146 SER 147 147 ASP 148 148 ASP 149 149 VAL 150 150 CYS 151 151 GLY 152 152 ALA 153 153 VAL 154 154 VAL 155 155 ASN 156 156 VAL 157 157 ARG 158 158 ALA 159 159 LYS 160 160 GLY 161 161 ASP 162 162 LYS 163 163 ILE 164 164 ALA 165 165 ILE 166 166 TRP 167 167 THR 168 168 THR 169 169 GLU 170 170 CYS 171 171 GLU 172 172 ASN 173 173 ARG 174 174 GLU 175 175 ALA 176 176 VAL 177 177 THR 178 178 HIS 179 179 ILE 180 180 GLY 181 181 ARG 182 182 VAL 183 183 TYR 184 184 LYS 185 185 GLU 186 186 ARG 187 187 LEU 188 188 GLY 189 189 LEU 190 190 PRO 191 191 PRO 192 192 LYS 193 193 ILE 194 194 VAL 195 195 ILE 196 196 GLY 197 197 TYR 198 198 GLN 199 199 SER 200 200 HIS 201 201 ALA 202 202 ASP 203 203 THR 204 204 ALA 205 205 THR 206 206 LYS 207 207 SER 208 208 GLY 209 209 SER 210 210 THR 211 211 THR 212 212 LYS 213 213 ASN 214 214 ARG 215 215 PHE 216 216 VAL 217 217 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1EJ1 "Cocrystal Structure Of The Messenger Rna 5' Cap-Binding Protein (Eif4e) Bound To 7-Methyl-Gdp" 87.56 190 99.47 100.00 5.72e-139 PDB 1EJ4 "Cocrystal Structure Of Eif4e4E-Bp1 Peptide" 87.56 190 99.47 100.00 5.72e-139 PDB 1EJH "Eif4eEIF4G PEPTIDE7-Methyl-Gdp" 87.56 190 99.47 100.00 5.72e-139 PDB 1IPB "Crystal Structure Of Eukaryotic Initiation Factor 4e Complexed With 7-methyl Gpppa" 100.00 217 100.00 100.00 1.84e-160 PDB 1IPC "Crystal Structure Of Eukaryotic Initiation Factor 4e Complexed With 7-methyl Gtp" 100.00 217 100.00 100.00 1.84e-160 PDB 1L8B "Cocrystal Structure Of The Messenger Rna 5' Cap-Binding Protein (Eif4e) Bound To 7-Methylgpppg" 87.56 190 99.47 100.00 5.72e-139 PDB 1WKW "Crystal Structure Of The Ternary Complex Of Eif4e-M7gpppa- 4ebp1 Peptide" 88.02 191 100.00 100.00 3.09e-140 PDB 2GPQ "Cap-Free Structure Of Eif4e Suggests Basis For Its Allosteric Regulation" 100.00 217 100.00 100.00 1.84e-160 PDB 2V8W "Crystallographic And Mass Spectrometric Characterisation Of Eif4e With N7-Cap Derivatives" 100.00 217 100.00 100.00 1.84e-160 PDB 2V8X "Crystallographic And Mass Spectrometric Characterisation Of Eif4e With N7-Cap Derivatives" 100.00 217 100.00 100.00 1.84e-160 PDB 2V8Y "Crystallographic And Mass Spectrometric Characterisation Of Eif4e With N7-Cap Derivatives" 100.00 217 100.00 100.00 1.84e-160 PDB 2W97 "Crystal Structure Of Eif4e Bound To Glycerol And Eif4g1 Peptide" 100.00 217 100.00 100.00 1.84e-160 PDB 3AM7 "Crystal Structure Of The Ternary Complex Of Eif4e-M7gtp-4ebp2 Peptide" 88.02 191 100.00 100.00 3.09e-140 PDB 3TF2 "Crystal Structure Of The Cap Free Human Translation Initiation Factor Eif4e" 100.00 217 100.00 100.00 1.84e-160 PDB 3U7X "Crystal Structure Of The Human Eif4e-4ebp1 Peptide Complex Without Cap" 100.00 217 100.00 100.00 1.84e-160 PDB 4AZA "Improved Eif4e Binding Peptides By Phage Display Guided Design." 100.00 217 100.00 100.00 1.84e-160 PDB 4BEA "Crystal Structure Of Eif4e In Complex With A Stapled Peptide Derivative" 100.00 217 100.00 100.00 1.84e-160 PDB 4DT6 "Co-Crystal Structure Of Eif4e With Inhibitor" 100.00 240 100.00 100.00 2.62e-160 PDB 4DUM "Co-Crystal Structure Of Eif4e With Inhibitor" 100.00 240 100.00 100.00 2.62e-160 PDB 4TPW "The Co-complex Structure Of The Translation Initiation Factor Eif4e With The Inhibitor 4egi-1 Reveals An Allosteric Mechanism F" 87.56 191 100.00 100.00 1.35e-139 PDB 4TQB "The Co-complex Structure Of The Translation Initiation Factor Eif4e With The Inhibitor 4egi-1 Reveals An Allosteric Mechanism F" 87.56 191 100.00 100.00 1.35e-139 PDB 4TQC "The Co-complex Structure Of The Translation Initiation Factor Eif4e With The Inhibitor 4egi-1 Reveals An Allosteric Mechanism F" 87.56 191 100.00 100.00 1.35e-139 DBJ BAC38660 "unnamed protein product [Mus musculus]" 100.00 217 97.70 98.16 6.42e-156 DBJ BAE00892 "unnamed protein product [Macaca fascicularis]" 97.24 240 100.00 100.00 1.59e-155 DBJ BAE39250 "unnamed protein product [Mus musculus]" 100.00 217 98.16 98.62 3.27e-157 DBJ BAE87828 "unnamed protein product [Macaca fascicularis]" 57.60 126 100.00 100.00 1.20e-86 DBJ BAE88752 "unnamed protein product [Macaca fascicularis]" 100.00 217 100.00 100.00 1.84e-160 EMBL CAA43943 "eIF-4E [Oryctolagus cuniculus]" 100.00 217 98.62 99.08 2.89e-158 EMBL CAA58316 "translation initiation factor [Rattus norvegicus]" 100.00 217 98.16 98.62 3.27e-157 EMBL CAL92193 "elongation initiation factor 4E [Sus scrofa]" 83.41 181 98.90 99.45 1.04e-130 GB AAA37545 "translation initiation factor eIF-4E [Mus musculus]" 100.00 217 98.16 98.62 3.27e-157 GB AAC13647 "cap-binding protein [Homo sapiens]" 100.00 217 100.00 100.00 1.84e-160 GB AAF66991 "translation initiation factor eIF-4E [Bos taurus]" 100.00 217 99.08 99.08 9.05e-159 GB AAH10759 "Eukaryotic translation initiation factor 4E [Mus musculus]" 100.00 217 98.16 98.62 3.27e-157 GB AAH12611 "Eukaryotic translation initiation factor 4E [Homo sapiens]" 100.00 217 99.54 100.00 7.89e-160 REF NP_001095180 "eukaryotic translation initiation factor 4E [Oryctolagus cuniculus]" 100.00 217 98.62 99.08 2.89e-158 REF NP_001124150 "eukaryotic translation initiation factor 4E isoform 3 [Homo sapiens]" 97.24 237 100.00 100.00 3.45e-156 REF NP_001233399 "eukaryotic translation initiation factor 4E [Pan troglodytes]" 100.00 217 100.00 100.00 1.84e-160 REF NP_001253148 "eukaryotic translation initiation factor 4E [Macaca mulatta]" 100.00 217 100.00 100.00 1.84e-160 REF NP_001271630 "uncharacterized protein LOC101925543 [Macaca fascicularis]" 60.83 132 99.24 100.00 1.01e-91 SP P06730 "RecName: Full=Eukaryotic translation initiation factor 4E; Short=eIF-4E; Short=eIF4E; AltName: Full=eIF-4F 25 kDa subunit; AltN" 100.00 217 100.00 100.00 1.84e-160 SP P29338 "RecName: Full=Eukaryotic translation initiation factor 4E; Short=eIF-4E; Short=eIF4E; AltName: Full=eIF-4F 25 kDa subunit; AltN" 100.00 217 98.62 99.08 2.89e-158 SP P63073 "RecName: Full=Eukaryotic translation initiation factor 4E; Short=eIF-4E; Short=eIF4E; Short=mRNA cap-binding protein; AltName: " 100.00 217 98.16 98.62 3.27e-157 SP P63074 "RecName: Full=Eukaryotic translation initiation factor 4E; Short=eIF-4E; Short=eIF4E; AltName: Full=eIF-4F 25 kDa subunit; AltN" 100.00 217 98.16 98.62 3.27e-157 SP Q9N0T5 "RecName: Full=Eukaryotic translation initiation factor 4E; Short=eIF-4E; Short=eIF4E; AltName: Full=mRNA cap-binding protein [B" 100.00 217 99.08 99.54 4.54e-159 TPG DAA28826 "TPA: eukaryotic translation initiation factor 4E [Bos taurus]" 100.00 217 99.54 99.54 1.75e-159 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Eukaryotic_Translation_Initiation_Factor_4E Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Eukaryotic_Translation_Initiation_Factor_4E 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Eukaryotic_Translation_Initiation_Factor_4E 0.3 mM '[U-95% 13C; U-95% 15N]' NaCl 100 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Eukaryotic_Translation_Initiation_Factor_4E 0.3 mM '[U-95% 2H; U-95% 13C; U-95% 15N]' NaCl 100 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600_MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_800_MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_3D_HCCH-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label . save_ save_3D_15N-edited_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY' _Sample_label . save_ save_3D_13C-edited_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited NOESY' _Sample_label . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 0.1 pH temperature 298 1 K 'ionic strength' 0.1 0.005 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 external indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 external indirect . . . 0.251449530 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name eIF4E _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 3 THR C C 174.1 0.30 1 2 3 3 THR CA C 61.7 0.30 1 3 4 4 VAL H H 8.15 0.03 1 4 4 4 VAL HA H 4.17 0.03 1 5 4 4 VAL HB H 1.81 0.03 1 6 4 4 VAL HG1 H 0.69 0.03 2 7 4 4 VAL HG2 H 0.71 0.03 2 8 4 4 VAL C C 175.7 0.30 1 9 4 4 VAL CA C 61.4 0.30 1 10 4 4 VAL N N 123.9 0.30 1 11 5 5 GLU H H 8.37 0.03 1 12 5 5 GLU HA H 3.95 0.03 1 13 5 5 GLU CA C 53.7 0.30 1 14 5 5 GLU N N 127.2 0.30 1 15 6 6 PRO C C 176.8 0.30 1 16 6 6 PRO CA C 62.5 0.30 1 17 7 7 GLU H H 8.41 0.03 1 18 7 7 GLU HA H 4.17 0.03 1 19 7 7 GLU HB2 H 1.77 0.03 1 20 7 7 GLU HB3 H 1.72 0.03 1 21 7 7 GLU HG2 H 2.07 0.03 2 22 7 7 GLU C C 176.7 0.30 1 23 7 7 GLU CA C 56.2 0.30 1 24 7 7 GLU N N 121.7 0.30 1 25 8 8 THR H H 8.08 0.03 1 26 8 8 THR HA H 4.20 0.03 1 27 8 8 THR HG2 H 0.97 0.03 1 28 8 8 THR C C 174.4 0.30 1 29 8 8 THR CA C 61.1 0.30 1 30 8 8 THR N N 116.1 0.30 1 31 9 9 THR H H 8.12 0.03 1 32 9 9 THR HA H 4.17 0.03 1 33 9 9 THR HB H 3.91 0.03 1 34 9 9 THR HG2 H 0.98 0.03 1 35 9 9 THR CA C 59.4 0.30 1 36 9 9 THR N N 120.2 0.30 1 37 10 10 PRO HG2 H 1.77 0.03 1 38 10 10 PRO HG3 H 1.80 0.03 1 39 10 10 PRO HD2 H 3.48 0.03 2 40 10 10 PRO C C 176.8 0.30 1 41 10 10 PRO CA C 62.5 0.30 1 42 10 10 PRO CG C 26.8 0.30 1 43 10 10 PRO CD C 50.4 0.30 1 44 11 11 THR H H 8.21 0.03 1 45 11 11 THR HA H 4.26 0.03 1 46 11 11 THR HB H 3.91 0.03 1 47 11 11 THR HG2 H 1.02 0.03 1 48 11 11 THR CA C 59.2 0.30 1 49 11 11 THR CB C 69.2 0.30 1 50 11 11 THR CG2 C 20.7 0.30 1 51 11 11 THR N N 118.4 0.30 1 52 12 12 PRO HB2 H 2.05 0.03 1 53 12 12 PRO HB3 H 1.64 0.03 1 54 12 12 PRO HG2 H 1.77 0.03 2 55 12 12 PRO C C 175.2 0.30 1 56 12 12 PRO CA C 62.9 0.30 1 57 12 12 PRO CB C 31.5 0.30 1 58 12 12 PRO CG C 26.9 0.30 1 59 13 13 ASN H H 8.06 0.03 1 60 13 13 ASN HA H 4.09 0.03 1 61 13 13 ASN HB2 H 2.40 0.03 1 62 13 13 ASN HB3 H 1.85 0.03 1 63 13 13 ASN CA C 50.0 0.30 1 64 13 13 ASN N N 119.9 0.30 1 65 15 15 PRO HA H 4.20 0.03 1 66 15 15 PRO C C 177.1 0.30 1 67 15 15 PRO CA C 62.4 0.30 1 68 16 16 THR H H 8.17 0.03 1 69 16 16 THR HA H 4.31 0.03 1 70 16 16 THR HB H 4.08 0.03 1 71 16 16 THR HG2 H 1.00 0.03 1 72 16 16 THR C C 174.7 0.30 1 73 16 16 THR CA C 61.1 0.30 1 74 16 16 THR CG2 C 20.9 0.30 1 75 16 16 THR N N 115.1 0.30 1 76 17 17 THR H H 8.05 0.03 1 77 17 17 THR HA H 4.19 0.03 1 78 17 17 THR HB H 4.03 0.03 1 79 17 17 THR HG2 H 0.98 0.03 1 80 17 17 THR C C 174.5 0.30 1 81 17 17 THR CA C 61.2 0.30 1 82 17 17 THR CG2 C 21.1 0.30 1 83 17 17 THR N N 116.6 0.30 1 84 18 18 GLU H H 8.32 0.03 1 85 18 18 GLU HA H 4.16 0.03 1 86 18 18 GLU HB2 H 1.78 0.03 1 87 18 18 GLU HB3 H 1.70 0.03 1 88 18 18 GLU HG2 H 2.03 0.03 2 89 18 18 GLU CA C 56.2 0.30 1 90 18 18 GLU CB C 29.5 0.30 1 91 18 18 GLU CG C 35.4 0.30 1 92 18 18 GLU N N 123.6 0.30 1 93 19 19 GLU H H 8.29 0.03 1 94 19 19 GLU C C 176.5 0.30 1 95 19 19 GLU CA C 56.3 0.30 1 96 19 19 GLU N N 122.6 0.30 1 97 20 20 GLU H H 8.27 0.03 1 98 20 20 GLU HA H 4.06 0.03 1 99 20 20 GLU HB2 H 1.78 0.03 1 100 20 20 GLU HB3 H 1.71 0.03 1 101 20 20 GLU HG2 H 2.03 0.03 2 102 20 20 GLU C C 176.5 0.30 1 103 20 20 GLU CA C 56.4 0.30 1 104 20 20 GLU CB C 29.6 0.30 1 105 20 20 GLU CG C 35.7 0.30 1 106 20 20 GLU N N 122.5 0.30 1 107 21 21 LYS H H 8.21 0.03 1 108 21 21 LYS HA H 4.03 0.03 1 109 21 21 LYS HB2 H 1.56 0.03 2 110 21 21 LYS HD2 H 1.34 0.03 2 111 21 21 LYS HE2 H 2.66 0.03 1 112 21 21 LYS HE3 H 2.69 0.03 1 113 21 21 LYS C C 176.7 0.30 1 114 21 21 LYS CA C 55.8 0.30 1 115 21 21 LYS CD C 28.7 0.30 1 116 21 21 LYS CE C 41.30 0.30 1 117 21 21 LYS N N 123.6 0.30 1 118 22 22 THR H H 8.10 0.03 1 119 22 22 THR HA H 4.17 0.03 1 120 22 22 THR HB H 4.01 0.03 1 121 22 22 THR HG2 H 0.97 0.03 1 122 22 22 THR C C 174.7 0.30 1 123 22 22 THR CA C 61.4 0.30 1 124 22 22 THR CG2 C 21.2 0.30 1 125 22 22 THR N N 116.6 0.30 1 126 23 23 GLU H H 8.34 0.03 1 127 23 23 GLU HA H 4.13 0.03 1 128 23 23 GLU HB2 H 1.81 0.03 1 129 23 23 GLU HB3 H 1.71 0.03 1 130 23 23 GLU HG2 H 2.04 0.03 2 131 23 23 GLU C C 176.5 0.30 1 132 23 23 GLU CA C 56.1 0.30 1 133 23 23 GLU CB C 29.4 0.30 1 134 23 23 GLU CG C 35.6 0.30 1 135 23 23 GLU N N 123.9 0.30 1 136 24 24 SER H H 8.23 0.03 1 137 24 24 SER HA H 4.21 0.03 1 138 24 24 SER HB2 H 3.62 0.03 1 139 24 24 SER HB3 H 3.64 0.03 1 140 24 24 SER C C 174.3 0.30 1 141 24 24 SER CA C 57.9 0.30 1 142 24 24 SER CB C 63.2 0.30 1 143 24 24 SER N N 117.4 0.30 1 144 25 25 ASN H H 8.33 0.03 1 145 25 25 ASN HA H 4.48 0.03 1 146 25 25 ASN HB2 H 2.56 0.03 1 147 25 25 ASN HB3 H 2.58 0.03 1 148 25 25 ASN C C 175.1 0.30 1 149 25 25 ASN CA C 52.9 0.30 1 150 25 25 ASN CB C 38.1 0.30 1 151 25 25 ASN N N 121.4 0.30 1 152 26 26 GLN H H 8.18 0.03 1 153 26 26 GLN HA H 4.09 0.03 1 154 26 26 GLN HB2 H 1.90 0.03 1 155 26 26 GLN HB3 H 1.73 0.03 1 156 26 26 GLN HG2 H 2.11 0.03 2 157 26 26 GLN C C 175.8 0.30 1 158 26 26 GLN CA C 55.5 0.30 1 159 26 26 GLN CB C 29.0 0.30 1 160 26 26 GLN CG C 33.2 0.30 1 161 26 26 GLN N N 121.0 0.30 1 162 27 27 GLU H H 8.25 0.03 1 163 27 27 GLU HA H 4.05 0.03 1 164 27 27 GLU HB2 H 1.80 0.03 1 165 27 27 GLU HB3 H 1.71 0.03 1 166 27 27 GLU HG2 H 2.06 0.03 1 167 27 27 GLU HG3 H 1.97 0.03 1 168 27 27 GLU C C 176.4 0.30 1 169 27 27 GLU CA C 56.2 0.30 1 170 27 27 GLU CB C 29.6 0.30 1 171 27 27 GLU CG C 35.5 0.30 1 172 27 27 GLU N N 122.8 0.30 1 173 28 28 VAL H H 7.97 0.03 1 174 28 28 VAL HA H 3.86 0.03 1 175 28 28 VAL HB H 1.81 0.03 1 176 28 28 VAL HG1 H 0.69 0.03 2 177 28 28 VAL HG2 H 0.66 0.03 2 178 28 28 VAL C C 175.7 0.30 1 179 28 28 VAL CA C 61.5 0.30 1 180 28 28 VAL CB C 32.5 0.30 1 181 28 28 VAL CG1 C 19.8 0.30 1 182 28 28 VAL CG2 C 20.6 0.30 1 183 28 28 VAL N N 121.8 0.30 1 184 29 29 ALA H H 8.19 0.03 1 185 29 29 ALA HA H 4.07 0.03 1 186 29 29 ALA HB H 1.11 0.03 1 187 29 29 ALA C C 177.0 0.30 1 188 29 29 ALA CA C 51.9 0.30 1 189 29 29 ALA CB C 18.8 0.30 1 190 29 29 ALA N N 128.3 0.30 1 191 30 30 ASN H H 8.25 0.03 1 192 30 30 ASN HA H 4.70 0.03 1 193 30 30 ASN HB2 H 2.40 0.03 1 194 30 30 ASN HB3 H 2.47 0.03 1 195 30 30 ASN CA C 50.8 0.30 1 196 30 30 ASN CB C 38.0 0.30 1 197 30 30 ASN N N 119.5 0.30 1 198 31 31 PRO HA H 4.10 0.03 1 199 31 31 PRO HB2 H 1.66 0.03 1 200 31 31 PRO HB3 H 2.02 0.03 1 201 31 31 PRO HG2 H 1.76 0.03 2 202 31 31 PRO C C 177.1 0.30 1 203 31 31 PRO CA C 63.1 0.30 1 204 31 31 PRO CB C 31.5 0.30 1 205 31 31 PRO CG C 26.8 0.30 1 206 32 32 GLU H H 8.26 0.03 1 207 32 32 GLU HA H 3.93 0.03 1 208 32 32 GLU HB2 H 1.69 0.03 1 209 32 32 GLU HB3 H 1.64 0.03 1 210 32 32 GLU HG2 H 1.96 0.03 2 211 32 32 GLU C C 176.4 0.30 1 212 32 32 GLU CA C 56.5 0.30 1 213 32 32 GLU CB C 29.2 0.30 1 214 32 32 GLU CG C 35.1 0.30 1 215 32 32 GLU N N 119.9 0.30 1 216 33 33 HIS H H 7.88 0.03 1 217 33 33 HIS HA H 4.39 0.03 1 218 33 33 HIS HB2 H 2.85 0.03 1 219 33 33 HIS HB3 H 2.79 0.03 1 220 33 33 HIS C C 174.3 0.30 1 221 33 33 HIS CA C 55.4 0.30 1 222 33 33 HIS CB C 30.3 0.30 1 223 33 33 HIS N N 119.6 0.30 1 224 34 34 TYR H H 7.75 0.03 1 225 34 34 TYR HA H 4.32 0.03 1 226 34 34 TYR HB2 H 2.68 0.03 1 227 34 34 TYR HB3 H 2.79 0.03 1 228 34 34 TYR HD1 H 6.96 0.03 3 229 34 34 TYR HE1 H 6.79 0.03 3 230 34 34 TYR C C 174.9 0.30 1 231 34 34 TYR CA C 57.2 0.30 1 232 34 34 TYR CB C 38.4 0.30 1 233 34 34 TYR N N 121.6 0.30 1 234 35 35 ILE H H 7.70 0.03 1 235 35 35 ILE HA H 3.87 0.03 1 236 35 35 ILE HB H 1.49 0.03 1 237 35 35 ILE HG12 H 1.13 0.03 1 238 35 35 ILE HG13 H 0.85 0.03 1 239 35 35 ILE HG2 H 0.57 0.03 1 240 35 35 ILE HD1 H 0.54 0.03 1 241 35 35 ILE C C 175.2 0.30 1 242 35 35 ILE CA C 60.2 0.30 1 243 35 35 ILE CB C 38.2 0.30 1 244 35 35 ILE CG1 C 26.5 0.30 1 245 35 35 ILE CG2 C 14.1 0.30 1 246 35 35 ILE CD1 C 16.8 0.30 1 247 35 35 ILE N N 124.2 0.30 1 248 36 36 LYS H H 7.86 0.03 1 249 36 36 LYS HA H 4.20 0.03 1 250 36 36 LYS HB2 H 1.56 0.03 1 251 36 36 LYS HB3 H 1.62 0.03 1 252 36 36 LYS HG2 H 1.15 0.03 1 253 36 36 LYS HG3 H 1.22 0.03 1 254 36 36 LYS HD2 H 1.44 0.03 2 255 36 36 LYS HE2 H 2.73 0.03 1 256 36 36 LYS HE3 H 2.78 0.03 1 257 36 36 LYS C C 176.1 0.30 1 258 36 36 LYS CA C 55.6 0.30 1 259 36 36 LYS CB C 32.4 0.30 1 260 36 36 LYS CG C 24.2 0.30 1 261 36 36 LYS CD C 28.8 0.30 1 262 36 36 LYS CE C 41.45 0.30 1 263 36 36 LYS N N 124.5 0.30 1 264 37 37 HIS H H 10.70 0.03 1 265 37 37 HIS HB2 H 3.22 0.03 1 266 37 37 HIS HB3 H 3.03 0.03 1 267 37 37 HIS HE2 H 7.02 0.03 1 268 37 37 HIS CA C 54.2 0.30 1 269 37 37 HIS N N 123.4 0.30 1 270 38 38 PRO HA H 4.82 0.03 1 271 38 38 PRO HB2 H 2.20 0.03 1 272 38 38 PRO HB3 H 1.89 0.03 1 273 38 38 PRO C C 177.0 0.30 1 274 38 38 PRO CA C 61.9 0.30 1 275 38 38 PRO CB C 32.6 0.30 1 276 39 39 LEU H H 8.04 0.03 1 277 39 39 LEU HA H 5.18 0.03 1 278 39 39 LEU HB2 H 2.26 0.03 2 279 39 39 LEU HD1 H 0.92 0.03 2 280 39 39 LEU HD2 H 0.68 0.03 2 281 39 39 LEU C C 177.5 0.30 1 282 39 39 LEU CA C 52.5 0.30 1 283 39 39 LEU CD1 C 27.7 0.30 1 284 39 39 LEU CD2 C 22.8 0.30 1 285 39 39 LEU N N 122.4 0.30 1 286 40 40 GLN H H 8.69 0.03 1 287 40 40 GLN HA H 3.82 0.03 1 288 40 40 GLN HB2 H 1.96 0.03 1 289 40 40 GLN HB3 H 1.87 0.03 1 290 40 40 GLN HG2 H 2.22 0.03 2 291 40 40 GLN HE21 H 7.40 0.03 1 292 40 40 GLN HE22 H 6.78 0.03 1 293 40 40 GLN C C 175.5 0.30 1 294 40 40 GLN CA C 57.9 0.30 1 295 40 40 GLN CB C 28.8 0.30 1 296 40 40 GLN CG C 33.6 0.30 1 297 40 40 GLN N N 121.5 0.30 1 298 40 40 GLN NE2 N 113.5 0.30 1 299 41 41 ASN H H 7.96 0.03 1 300 41 41 ASN C C 171.0 0.30 1 301 41 41 ASN CA C 51.5 0.30 1 302 41 41 ASN N N 115.6 0.30 1 303 42 42 ARG H H 7.82 0.03 1 304 42 42 ARG HA H 4.44 0.03 1 305 42 42 ARG C C 174.8 0.30 1 306 42 42 ARG CA C 54.0 0.30 1 307 42 42 ARG N N 117.0 0.30 1 308 43 43 TRP H H 7.98 0.03 1 309 43 43 TRP HB2 H 2.91 0.03 1 310 43 43 TRP HB3 H 2.42 0.03 1 311 43 43 TRP HD1 H 6.74 0.03 1 312 43 43 TRP HE1 H 10.78 0.03 1 313 43 43 TRP HZ2 H 6.55 0.03 1 314 43 43 TRP C C 173.2 0.30 1 315 43 43 TRP CA C 55.6 0.30 1 316 43 43 TRP N N 125.8 0.30 1 317 43 43 TRP NE1 N 131.4 0.30 1 318 44 44 ALA H H 9.07 0.03 1 319 44 44 ALA HA H 4.82 0.03 1 320 44 44 ALA HB H 1.01 0.03 1 321 44 44 ALA C C 174.9 0.30 1 322 44 44 ALA CA C 50.2 0.30 1 323 44 44 ALA CB C 22.1 0.30 1 324 44 44 ALA N N 122.3 0.30 1 325 45 45 LEU H H 8.47 0.03 1 326 45 45 LEU HB2 H 1.70 0.03 1 327 45 45 LEU HB3 H 1.23 0.03 1 328 45 45 LEU HG H 0.95 0.03 1 329 45 45 LEU HD1 H 0.25 0.03 2 330 45 45 LEU HD2 H 0.68 0.03 2 331 45 45 LEU C C 174.5 0.30 1 332 45 45 LEU CA C 53.3 0.30 1 333 45 45 LEU N N 124.5 0.30 1 334 46 46 TRP H H 10.11 0.03 1 335 46 46 TRP HB3 H 3.15 0.03 2 336 46 46 TRP HE1 H 10.00 0.03 1 337 46 46 TRP C C 174.6 0.30 1 338 46 46 TRP CA C 55.4 0.30 1 339 46 46 TRP N N 128.8 0.30 1 340 46 46 TRP NE1 N 129.7 0.30 1 341 47 47 PHE H H 9.72 0.03 1 342 47 47 PHE HB3 H 2.76 0.03 2 343 47 47 PHE HD1 H 7.00 0.03 3 344 47 47 PHE HE1 H 7.05 0.03 3 345 47 47 PHE C C 172.5 0.30 1 346 47 47 PHE CA C 55.1 0.30 1 347 47 47 PHE N N 122.6 0.30 1 348 48 48 PHE H H 8.12 0.03 1 349 48 48 PHE HB2 H 2.52 0.03 2 350 48 48 PHE HD1 H 6.54 0.03 3 351 48 48 PHE HE1 H 6.85 0.03 3 352 48 48 PHE C C 172.6 0.30 1 353 48 48 PHE CA C 55.7 0.30 1 354 48 48 PHE N N 129.0 0.30 1 355 49 49 LYS H H 6.51 0.03 1 356 49 49 LYS HB2 H 1.34 0.03 2 357 49 49 LYS C C 174.4 0.30 1 358 49 49 LYS CA C 54.1 0.30 1 359 49 49 LYS CB C 34.2 0.30 1 360 49 49 LYS N N 125.5 0.30 1 361 50 50 ASN H H 7.39 0.03 1 362 50 50 ASN HA H 3.92 0.03 1 363 50 50 ASN HB2 H 2.66 0.03 1 364 50 50 ASN HB3 H 2.48 0.03 1 365 50 50 ASN C C 174.4 0.30 1 366 50 50 ASN CA C 52.8 0.30 1 367 50 50 ASN N N 121.8 0.30 1 368 51 51 ASP H H 7.31 0.03 1 369 51 51 ASP HA H 4.37 0.03 1 370 51 51 ASP HB2 H 2.89 0.03 1 371 51 51 ASP HB3 H 2.13 0.03 1 372 51 51 ASP C C 177.2 0.30 1 373 51 51 ASP CA C 53.0 0.30 1 374 51 51 ASP N N 123.4 0.30 1 375 52 52 LYS H H 8.58 0.03 1 376 52 52 LYS HB2 H 1.70 0.03 1 377 52 52 LYS HB3 H 1.59 0.03 1 378 52 52 LYS HG2 H 1.28 0.03 2 379 52 52 LYS C C 176.9 0.30 1 380 52 52 LYS CA C 57.4 0.30 1 381 52 52 LYS N N 125.6 0.30 1 382 53 53 SER H H 8.48 0.03 1 383 53 53 SER HB2 H 3.80 0.03 1 384 53 53 SER HB3 H 3.68 0.03 1 385 53 53 SER C C 173.7 0.30 1 386 53 53 SER CA C 58.8 0.30 1 387 53 53 SER N N 115.8 0.30 1 388 54 54 LYS H H 7.57 0.03 1 389 54 54 LYS HB2 H 1.62 0.03 1 390 54 54 LYS HB3 H 1.53 0.03 1 391 54 54 LYS C C 176.1 0.30 1 392 54 54 LYS CA C 54.3 0.30 1 393 54 54 LYS N N 122.9 0.30 1 394 55 55 THR H H 7.76 0.03 1 395 55 55 THR HB H 4.16 0.03 1 396 55 55 THR HG2 H 1.10 0.03 1 397 55 55 THR C C 174.3 0.30 1 398 55 55 THR CA C 60.5 0.30 1 399 55 55 THR CG2 C 21.5 0.30 1 400 55 55 THR N N 111.5 0.30 1 401 56 56 TRP H H 8.38 0.03 1 402 56 56 TRP HB2 H 3.26 0.03 1 403 56 56 TRP HB3 H 3.09 0.03 1 404 56 56 TRP HE1 H 9.70 0.03 1 405 56 56 TRP C C 178.1 0.30 1 406 56 56 TRP N N 121.8 0.30 1 407 56 56 TRP NE1 N 130.2 0.30 1 408 57 57 GLN H H 8.12 0.03 1 409 57 57 GLN C C 178.1 0.30 1 410 57 57 GLN CA C 58.7 0.30 1 411 57 57 GLN N N 116.4 0.30 1 412 58 58 ALA H H 7.39 0.03 1 413 58 58 ALA HA H 3.99 0.03 1 414 58 58 ALA HB H 1.20 0.03 1 415 58 58 ALA C C 177.9 0.30 1 416 58 58 ALA CA C 52.9 0.30 1 417 58 58 ALA CB C 18.6 0.30 1 418 58 58 ALA N N 120.5 0.30 1 419 59 59 ASN H H 7.48 0.03 1 420 59 59 ASN HB2 H 3.12 0.03 1 421 59 59 ASN HB3 H 2.56 0.03 1 422 59 59 ASN C C 174.6 0.30 1 423 59 59 ASN CA C 53.1 0.30 1 424 59 59 ASN N N 118.0 0.30 1 425 60 60 LEU H H 7.24 0.03 1 426 60 60 LEU C C 177.3 0.30 1 427 60 60 LEU CA C 54.3 0.30 1 428 60 60 LEU N N 124.4 0.30 1 429 61 61 ARG H H 9.50 0.03 1 430 61 61 ARG C C 174.1 0.30 1 431 61 61 ARG CA C 54.2 0.30 1 432 61 61 ARG N N 127.0 0.30 1 433 62 62 LEU H H 8.69 0.03 1 434 62 62 LEU HG H 0.39 0.03 1 435 62 62 LEU HD1 H 0.28 0.03 1 436 62 62 LEU HD2 H -0.38 0.03 1 437 62 62 LEU C C 176.8 0.30 1 438 62 62 LEU CA C 54.9 0.30 1 439 62 62 LEU CB C 26.4 0.30 1 440 62 62 LEU CD1 C 25.0 0.30 1 441 62 62 LEU CD2 C 22.4 0.30 1 442 62 62 LEU N N 129.0 0.30 1 443 63 63 ILE H H 9.34 0.03 1 444 63 63 ILE HA H 3.83 0.03 1 445 63 63 ILE HB H 1.72 0.03 1 446 63 63 ILE HG12 H 1.21 0.03 1 447 63 63 ILE HG13 H 1.44 0.03 1 448 63 63 ILE HG2 H 0.73 0.03 1 449 63 63 ILE HD1 H 0.76 0.03 1 450 63 63 ILE C C 176.0 0.30 1 451 63 63 ILE CA C 62.4 0.30 1 452 63 63 ILE CG2 C 17.0 0.30 1 453 63 63 ILE CD1 C 11.2 0.30 1 454 63 63 ILE N N 129.4 0.30 1 455 64 64 SER H H 7.13 0.03 1 456 64 64 SER HA H 4.19 0.03 1 457 64 64 SER HB2 H 3.80 0.03 1 458 64 64 SER HB3 H 3.36 0.03 1 459 64 64 SER C C 172.1 0.30 1 460 64 64 SER CA C 57.6 0.30 1 461 64 64 SER N N 109.1 0.30 1 462 65 65 LYS H H 8.11 0.03 1 463 65 65 LYS HA H 5.51 0.03 1 464 65 65 LYS HZ H 6.93 0.03 2 465 65 65 LYS C C 176.1 0.30 1 466 65 65 LYS CA C 55.0 0.30 1 467 65 65 LYS N N 120.8 0.30 1 468 66 66 PHE H H 8.44 0.03 1 469 66 66 PHE HD1 H 6.76 0.03 3 470 66 66 PHE C C 174.5 0.30 1 471 66 66 PHE CA C 56.4 0.30 1 472 66 66 PHE N N 115.5 0.30 1 473 67 67 ASP H H 9.26 0.03 1 474 67 67 ASP C C 177.3 0.30 1 475 67 67 ASP CA C 53.7 0.30 1 476 67 67 ASP N N 116.5 0.30 1 477 68 68 THR H H 7.46 0.03 1 478 68 68 THR HB H 3.88 0.03 1 479 68 68 THR HG2 H 1.15 0.03 1 480 68 68 THR C C 174.1 0.30 1 481 68 68 THR CA C 59.9 0.30 1 482 68 68 THR CG2 C 21.0 0.30 1 483 68 68 THR N N 107.1 0.30 1 484 69 69 VAL H H 8.79 0.03 1 485 69 69 VAL HB H 1.97 0.03 1 486 69 69 VAL HG1 H 0.88 0.03 2 487 69 69 VAL HG2 H 0.94 0.03 2 488 69 69 VAL C C 176.9 0.30 1 489 69 69 VAL CA C 65.9 0.30 1 490 69 69 VAL CB C 32.9 0.30 1 491 69 69 VAL CG1 C 22.6 0.30 1 492 69 69 VAL CG2 C 21.6 0.30 1 493 69 69 VAL N N 123.4 0.30 1 494 70 70 GLU H H 9.80 0.03 1 495 70 70 GLU C C 180.0 0.30 1 496 70 70 GLU CA C 61.4 0.30 1 497 70 70 GLU N N 120.2 0.30 1 498 71 71 ASP H H 8.10 0.03 1 499 71 71 ASP HB2 H 2.74 0.03 2 500 71 71 ASP C C 178.4 0.30 1 501 71 71 ASP CA C 56.6 0.30 1 502 71 71 ASP N N 118.9 0.30 1 503 72 72 PHE H H 7.49 0.03 1 504 72 72 PHE HB2 H 2.32 0.03 2 505 72 72 PHE HD1 H 6.78 0.03 3 506 72 72 PHE HE1 H 6.79 0.03 3 507 72 72 PHE C C 175.7 0.30 1 508 72 72 PHE CA C 60.7 0.30 1 509 72 72 PHE N N 122.8 0.30 1 510 73 73 TRP H H 7.59 0.03 1 511 73 73 TRP HB2 H 2.77 0.03 1 512 73 73 TRP HB3 H 3.04 0.03 1 513 73 73 TRP HD1 H 7.05 0.03 1 514 73 73 TRP HE1 H 10.05 0.03 1 515 73 73 TRP HZ2 H 7.24 0.03 1 516 73 73 TRP HH2 H 6.95 0.03 1 517 73 73 TRP C C 177.7 0.30 1 518 73 73 TRP CA C 59.7 0.30 1 519 73 73 TRP N N 119.5 0.30 1 520 73 73 TRP NE1 N 127.5 0.30 1 521 74 74 ALA H H 7.72 0.03 1 522 74 74 ALA HA H 3.96 0.03 1 523 74 74 ALA HB H 1.24 0.03 1 524 74 74 ALA C C 179.8 0.30 1 525 74 74 ALA CA C 54.4 0.30 1 526 74 74 ALA CB C 17.7 0.30 1 527 74 74 ALA N N 120.1 0.30 1 528 75 75 LEU H H 6.97 0.03 1 529 75 75 LEU HD1 H 0.99 0.03 2 530 75 75 LEU HD2 H 0.61 0.03 2 531 75 75 LEU C C 177.4 0.30 1 532 75 75 LEU CA C 56.7 0.30 1 533 75 75 LEU N N 119.7 0.30 1 534 76 76 TYR H H 8.29 0.03 1 535 76 76 TYR C C 177.1 0.30 1 536 76 76 TYR CA C 61.8 0.30 1 537 76 76 TYR N N 119.9 0.30 1 538 77 77 ASN H H 8.09 0.03 1 539 77 77 ASN C C 176.1 0.30 1 540 77 77 ASN CA C 54.0 0.30 1 541 77 77 ASN N N 111.4 0.30 1 542 78 78 HIS H H 7.53 0.03 1 543 78 78 HIS HA H 4.47 0.03 1 544 78 78 HIS HB2 H 3.12 0.03 1 545 78 78 HIS HB3 H 2.89 0.03 1 546 78 78 HIS C C 174.3 0.30 1 547 78 78 HIS CA C 56.6 0.30 1 548 78 78 HIS CB C 30.7 0.30 1 549 78 78 HIS N N 117.7 0.30 1 550 79 79 ILE H H 6.88 0.03 1 551 79 79 ILE HG2 H 0.59 0.03 1 552 79 79 ILE HD1 H 0.23 0.03 1 553 79 79 ILE C C 176.1 0.30 1 554 79 79 ILE CA C 59.8 0.30 1 555 79 79 ILE CD1 C 13.4 0.30 1 556 79 79 ILE N N 114.0 0.30 1 557 80 80 GLN H H 8.08 0.03 1 558 80 80 GLN HB2 H 1.79 0.03 1 559 80 80 GLN HB3 H 1.54 0.03 1 560 80 80 GLN HG2 H 2.39 0.03 2 561 80 80 GLN C C 178.2 0.30 1 562 80 80 GLN CA C 56.1 0.30 1 563 80 80 GLN N N 121.7 0.30 1 564 81 81 LEU H H 8.64 0.03 1 565 81 81 LEU HB2 H 1.49 0.03 2 566 81 81 LEU HG H 1.43 0.03 1 567 81 81 LEU HD1 H 0.70 0.03 2 568 81 81 LEU HD2 H 0.68 0.03 2 569 81 81 LEU C C 178.3 0.30 1 570 81 81 LEU CG C 26.5 0.30 1 571 81 81 LEU CD1 C 25.3 0.30 1 572 81 81 LEU CD2 C 20.3 0.30 1 573 81 81 LEU N N 128.5 0.30 1 574 82 82 SER H H 9.43 0.03 1 575 82 82 SER C C 175.8 0.30 1 576 82 82 SER N N 121.3 0.30 1 577 83 83 SER H H 9.36 0.03 1 578 83 83 SER C C 175.5 0.30 1 579 83 83 SER CA C 60.1 0.30 1 580 83 83 SER N N 114.1 0.30 1 581 84 84 ASN H H 7.81 0.03 1 582 84 84 ASN HA H 3.65 0.03 1 583 84 84 ASN HB2 H 2.81 0.03 1 584 84 84 ASN HB3 H 2.39 0.03 1 585 84 84 ASN C C 175.4 0.30 1 586 84 84 ASN CA C 52.1 0.30 1 587 84 84 ASN N N 120.1 0.30 1 588 85 85 LEU H H 7.44 0.03 1 589 85 85 LEU HG H 0.67 0.03 1 590 85 85 LEU HD1 H 0.43 0.03 2 591 85 85 LEU HD2 H 0.23 0.03 2 592 85 85 LEU C C 176.6 0.30 1 593 85 85 LEU CA C 54.5 0.30 1 594 85 85 LEU CD1 C 22.4 0.30 1 595 85 85 LEU N N 122.5 0.30 1 596 86 86 MET H H 8.00 0.03 1 597 86 86 MET HB2 H 1.84 0.03 1 598 86 86 MET HB3 H 1.75 0.03 1 599 86 86 MET HG2 H 2.56 0.03 1 600 86 86 MET HG3 H 2.45 0.03 1 601 86 86 MET CB C 31.6 0.30 1 602 86 86 MET CG C 31.9 0.30 1 603 86 86 MET N N 120.3 0.30 1 604 87 87 PRO C C 177.5 0.30 1 605 88 88 GLY H H 8.89 0.03 1 606 88 88 GLY C C 173.8 0.30 1 607 88 88 GLY CA C 44.2 0.30 1 608 88 88 GLY N N 111.9 0.30 1 609 89 89 CYS H H 7.32 0.03 1 610 89 89 CYS HB2 H 2.78 0.03 1 611 89 89 CYS HB3 H 2.49 0.03 1 612 89 89 CYS C C 172.5 0.30 1 613 89 89 CYS CA C 58.0 0.30 1 614 89 89 CYS N N 118.7 0.30 1 615 90 90 ASP H H 8.29 0.03 1 616 90 90 ASP C C 177.7 0.30 1 617 90 90 ASP CA C 51.9 0.30 1 618 90 90 ASP N N 117.9 0.30 1 619 91 91 TYR H H 7.71 0.03 1 620 91 91 TYR HD1 H 7.35 0.03 3 621 91 91 TYR HE1 H 6.55 0.03 3 622 91 91 TYR C C 175.9 0.30 1 623 91 91 TYR CA C 56.4 0.30 1 624 91 91 TYR N N 115.6 0.30 1 625 92 92 SER H H 9.02 0.03 1 626 92 92 SER HB2 H 3.89 0.03 1 627 92 92 SER HB3 H 3.75 0.03 1 628 92 92 SER C C 173.0 0.30 1 629 92 92 SER CA C 57.2 0.30 1 630 92 92 SER N N 111.9 0.30 1 631 93 93 LEU H H 9.49 0.03 1 632 93 93 LEU HG H 1.39 0.03 1 633 93 93 LEU HD1 H 0.11 0.03 2 634 93 93 LEU HD2 H 0.49 0.03 2 635 93 93 LEU C C 174.9 0.30 1 636 93 93 LEU CA C 53.9 0.30 1 637 93 93 LEU CG C 27.4 0.30 1 638 93 93 LEU CD1 C 25.3 0.30 1 639 93 93 LEU N N 127.0 0.30 1 640 94 94 PHE H H 9.50 0.03 1 641 94 94 PHE HA H 5.44 0.03 1 642 94 94 PHE HB2 H 3.15 0.03 1 643 94 94 PHE HB3 H 2.99 0.03 1 644 94 94 PHE HD1 H 6.70 0.03 3 645 94 94 PHE HE1 H 6.84 0.03 3 646 94 94 PHE C C 176.1 0.30 1 647 94 94 PHE CA C 56.0 0.30 1 648 94 94 PHE N N 126.5 0.30 1 649 95 95 LYS H H 7.83 0.03 1 650 95 95 LYS C C 176.5 0.30 1 651 95 95 LYS CA C 57.4 0.30 1 652 95 95 LYS N N 123.8 0.30 1 653 96 96 ASP H H 8.04 0.03 1 654 96 96 ASP HB2 H 1.87 0.03 1 655 96 96 ASP HB3 H 1.94 0.03 1 656 96 96 ASP C C 176.8 0.30 1 657 96 96 ASP CA C 55.6 0.30 1 658 96 96 ASP N N 121.2 0.30 1 659 97 97 GLY H H 8.83 0.03 1 660 97 97 GLY HA2 H 4.10 0.03 1 661 97 97 GLY HA3 H 3.47 0.03 1 662 97 97 GLY C C 173.8 0.30 1 663 97 97 GLY CA C 44.1 0.30 1 664 97 97 GLY N N 115.5 0.30 1 665 98 98 ILE H H 7.93 0.03 1 666 98 98 ILE HG12 H 1.50 0.03 1 667 98 98 ILE HG13 H 1.76 0.03 1 668 98 98 ILE HG2 H 1.31 0.03 1 669 98 98 ILE HD1 H 0.76 0.03 1 670 98 98 ILE C C 175.9 0.30 1 671 98 98 ILE CA C 60.6 0.30 1 672 98 98 ILE N N 121.5 0.30 1 673 99 99 GLU H H 8.59 0.03 1 674 99 99 GLU CA C 53.9 0.30 1 675 99 99 GLU N N 129.7 0.30 1 676 100 100 PRO C C 172.5 0.30 1 677 100 100 PRO CA C 60.6 0.30 1 678 101 101 MET H H 8.01 0.03 1 679 101 101 MET HA H 5.45 0.03 1 680 101 101 MET HB2 H 1.61 0.03 1 681 101 101 MET HB3 H 1.69 0.03 1 682 101 101 MET HG2 H 2.21 0.03 1 683 101 101 MET HG3 H 2.44 0.03 1 684 101 101 MET C C 176.8 0.30 1 685 101 101 MET CA C 53.6 0.30 1 686 101 101 MET N N 119.1 0.30 1 687 102 102 TRP H H 9.09 0.03 1 688 102 102 TRP HB2 H 2.15 0.03 1 689 102 102 TRP HB3 H 2.53 0.03 1 690 102 102 TRP HE1 H 9.68 0.03 1 691 102 102 TRP CA C 59.7 0.30 1 692 102 102 TRP N N 127.9 0.30 1 693 102 102 TRP NE1 N 130.2 0.30 1 694 103 103 GLU H H 7.24 0.03 1 695 103 103 GLU HB2 H 1.88 0.03 1 696 103 103 GLU HB3 H 1.82 0.03 1 697 103 103 GLU HG2 H 2.12 0.03 2 698 103 103 GLU C C 177.7 0.30 1 699 103 103 GLU CA C 57.1 0.30 1 700 103 103 GLU N N 113.0 0.30 1 701 104 104 ASP H H 6.80 0.03 1 702 104 104 ASP HA H 3.68 0.03 1 703 104 104 ASP C C 178.0 0.30 1 704 104 104 ASP CA C 54.8 0.30 1 705 104 104 ASP N N 120.9 0.30 1 706 105 105 GLU H H 9.01 0.03 1 707 105 105 GLU HA H 4.14 0.03 1 708 105 105 GLU HB2 H 1.91 0.03 1 709 105 105 GLU HB3 H 1.84 0.03 1 710 105 105 GLU HG2 H 2.14 0.03 2 711 105 105 GLU C C 178.3 0.30 1 712 105 105 GLU CA C 59.8 0.30 1 713 105 105 GLU CB C 29.6 0.30 1 714 105 105 GLU N N 129.4 0.30 1 715 106 106 LYS H H 9.54 0.03 1 716 106 106 LYS C C 177.0 0.30 1 717 106 106 LYS CA C 56.5 0.30 1 718 106 106 LYS N N 116.0 0.30 1 719 107 107 ASN H H 8.13 0.03 1 720 107 107 ASN HB2 H 2.46 0.03 1 721 107 107 ASN HB3 H 2.81 0.03 1 722 107 107 ASN C C 177.8 0.30 1 723 107 107 ASN CA C 53.4 0.30 1 724 107 107 ASN N N 115.2 0.30 1 725 108 108 LYS H H 8.04 0.03 1 726 108 108 LYS HA H 4.15 0.03 1 727 108 108 LYS HB2 H 1.69 0.03 1 728 108 108 LYS HB3 H 1.79 0.03 1 729 108 108 LYS C C 179.0 0.30 1 730 108 108 LYS CA C 60.5 0.30 1 731 108 108 LYS N N 123.3 0.30 1 732 109 109 ARG H H 9.21 0.03 1 733 109 109 ARG HA H 4.41 0.03 1 734 109 109 ARG HB2 H 1.48 0.03 1 735 109 109 ARG HB3 H 1.39 0.03 1 736 109 109 ARG C C 176.7 0.30 1 737 109 109 ARG CA C 55.6 0.30 1 738 109 109 ARG N N 122.3 0.30 1 739 110 110 GLY H H 8.47 0.03 1 740 110 110 GLY HA2 H 4.17 0.03 2 741 110 110 GLY C C 173.6 0.30 1 742 110 110 GLY CA C 44.1 0.30 1 743 110 110 GLY N N 110.8 0.30 1 744 111 111 GLY H H 7.41 0.03 1 745 111 111 GLY HA2 H 3.77 0.03 1 746 111 111 GLY HA3 H 4.11 0.03 1 747 111 111 GLY C C 177.1 0.30 1 748 111 111 GLY CA C 44.7 0.30 1 749 111 111 GLY N N 112.9 0.30 1 750 112 112 ARG H H 7.23 0.03 1 751 112 112 ARG C C 174.1 0.30 1 752 112 112 ARG CA C 51.9 0.30 1 753 112 112 ARG N N 114.5 0.30 1 754 113 113 TRP H H 8.78 0.03 1 755 113 113 TRP HB2 H 3.09 0.03 1 756 113 113 TRP HB3 H 2.90 0.03 1 757 113 113 TRP HE1 H 9.51 0.03 1 758 113 113 TRP HE3 H 7.25 0.03 1 759 113 113 TRP HZ3 H 6.57 0.03 1 760 113 113 TRP C C 175.2 0.30 1 761 113 113 TRP CA C 56.3 0.30 1 762 113 113 TRP N N 124.0 0.30 1 763 113 113 TRP NE1 N 128.2 0.30 1 764 114 114 LEU H H 8.62 0.03 1 765 114 114 LEU HG H 1.24 0.03 1 766 114 114 LEU HD2 H 0.69 0.03 2 767 114 114 LEU C C 174.7 0.30 1 768 114 114 LEU CA C 54.2 0.30 1 769 114 114 LEU CD2 C 24.5 0.30 1 770 114 114 LEU N N 124.9 0.30 1 771 115 115 ILE H H 9.71 0.03 1 772 115 115 ILE HB H 1.82 0.03 1 773 115 115 ILE HG12 H 1.27 0.03 1 774 115 115 ILE HG13 H 1.02 0.03 1 775 115 115 ILE HG2 H 0.63 0.03 1 776 115 115 ILE HD1 H 0.37 0.03 1 777 115 115 ILE C C 174.8 0.30 1 778 115 115 ILE CA C 59.2 0.30 1 779 115 115 ILE CB C 39.3 0.30 1 780 115 115 ILE CG1 C 27.1 0.30 1 781 115 115 ILE CG2 C 16.6 0.30 1 782 115 115 ILE CD1 C 12.8 0.30 1 783 115 115 ILE N N 127.5 0.30 1 784 116 116 THR H H 8.20 0.03 1 785 116 116 THR HA H 4.46 0.03 1 786 116 116 THR HB H 4.00 0.03 1 787 116 116 THR HG2 H 0.97 0.03 1 788 116 116 THR C C 174.2 0.30 1 789 116 116 THR CA C 60.4 0.30 1 790 116 116 THR CB C 69.7 0.30 1 791 116 116 THR CG2 C 20.9 0.30 1 792 116 116 THR N N 119.4 0.30 1 793 117 117 LEU H H 8.70 0.03 1 794 117 117 LEU HB2 H 1.55 0.03 1 795 117 117 LEU HB3 H 1.39 0.03 1 796 117 117 LEU HG H 1.48 0.03 1 797 117 117 LEU HD1 H 0.96 0.03 2 798 117 117 LEU HD2 H 0.65 0.03 2 799 117 117 LEU C C 176.5 0.30 1 800 117 117 LEU CA C 53.8 0.30 1 801 117 117 LEU N N 126.9 0.30 1 802 118 118 ASN H H 8.66 0.03 1 803 118 118 ASN HB2 H 2.93 0.03 1 804 118 118 ASN HB3 H 2.69 0.03 1 805 118 118 ASN HD21 H 6.82 0.03 1 806 118 118 ASN HD22 H 7.48 0.03 1 807 118 118 ASN C C 178.1 0.30 1 808 118 118 ASN CA C 51.8 0.30 1 809 118 118 ASN CB C 39.1 0.30 1 810 118 118 ASN N N 120.0 0.30 1 811 118 118 ASN ND2 N 113.5 0.30 1 812 119 119 LYS H H 8.78 0.03 1 813 119 119 LYS HB2 H 1.61 0.03 1 814 119 119 LYS HB3 H 1.96 0.03 1 815 119 119 LYS HG2 H 1.23 0.03 2 816 119 119 LYS C C 179.1 0.30 1 817 119 119 LYS CA C 59.6 0.30 1 818 119 119 LYS N N 123.3 0.30 1 819 120 120 GLN H H 8.54 0.03 1 820 120 120 GLN HB2 H 1.95 0.03 1 821 120 120 GLN HB3 H 2.28 0.03 1 822 120 120 GLN HG2 H 2.54 0.03 1 823 120 120 GLN HG3 H 2.60 0.03 1 824 120 120 GLN C C 177.7 0.30 1 825 120 120 GLN CA C 57.8 0.30 1 826 120 120 GLN N N 119.3 0.30 1 827 121 121 GLN H H 7.89 0.03 1 828 121 121 GLN HB2 H 1.63 0.03 1 829 121 121 GLN HB3 H 1.36 0.03 1 830 121 121 GLN HG2 H 2.24 0.03 1 831 121 121 GLN HG3 H 1.98 0.03 1 832 121 121 GLN C C 177.1 0.30 1 833 121 121 GLN CA C 56.0 0.30 1 834 121 121 GLN N N 117.8 0.30 1 835 122 122 ARG H H 7.61 0.03 1 836 122 122 ARG HB2 H 1.57 0.03 2 837 122 122 ARG CA C 59.3 0.30 1 838 122 122 ARG N N 123.4 0.30 1 839 123 123 ARG C C 176.9 0.30 1 840 123 123 ARG CA C 57.5 0.30 1 841 124 124 SER H H 7.57 0.03 1 842 124 124 SER HA H 4.28 0.03 1 843 124 124 SER HB2 H 3.62 0.03 1 844 124 124 SER HB3 H 3.58 0.03 1 845 124 124 SER C C 176.4 0.30 1 846 124 124 SER CA C 59.1 0.30 1 847 124 124 SER N N 111.5 0.30 1 848 125 125 ASP H H 8.03 0.03 1 849 125 125 ASP C C 175.6 0.30 1 850 125 125 ASP CA C 55.7 0.30 1 851 125 125 ASP N N 121.4 0.30 1 852 126 126 LEU H H 7.36 0.03 1 853 126 126 LEU HB2 H 2.01 0.03 1 854 126 126 LEU HB3 H 1.70 0.03 1 855 126 126 LEU C C 177.2 0.30 1 856 126 126 LEU CA C 59.9 0.30 1 857 126 126 LEU N N 120.3 0.30 1 858 127 127 ASP H H 8.01 0.03 1 859 127 127 ASP C C 179.5 0.30 1 860 127 127 ASP CA C 55.7 0.30 1 861 127 127 ASP N N 121.2 0.30 1 862 128 128 ARG H H 8.11 0.03 1 863 128 128 ARG C C 179.2 0.30 1 864 128 128 ARG CA C 58.9 0.30 1 865 128 128 ARG N N 121.5 0.30 1 866 129 129 PHE H H 8.66 0.03 1 867 129 129 PHE HB2 H 3.25 0.03 2 868 129 129 PHE HD1 H 6.86 0.03 3 869 129 129 PHE HE1 H 7.01 0.03 3 870 129 129 PHE C C 180.3 0.30 1 871 129 129 PHE CA C 57.2 0.30 1 872 129 129 PHE N N 119.5 0.30 1 873 130 130 TRP H H 9.34 0.03 1 874 130 130 TRP HB2 H 3.49 0.03 1 875 130 130 TRP HB3 H 3.23 0.03 1 876 130 130 TRP HE1 H 10.40 0.03 1 877 130 130 TRP HH2 H 6.68 0.03 1 878 130 130 TRP C C 176.8 0.30 1 879 130 130 TRP CA C 59.3 0.30 1 880 130 130 TRP N N 126.4 0.30 1 881 130 130 TRP NE1 N 129.5 0.30 1 882 131 131 LEU H H 8.57 0.03 1 883 131 131 LEU HB2 H 1.75 0.03 1 884 131 131 LEU HB3 H 1.50 0.03 1 885 131 131 LEU HG H 1.20 0.03 1 886 131 131 LEU HD1 H 0.80 0.03 2 887 131 131 LEU HD2 H -0.03 0.03 2 888 131 131 LEU C C 178.5 0.30 1 889 131 131 LEU CA C 58.1 0.30 1 890 131 131 LEU CG C 26.5 0.30 1 891 131 131 LEU CD1 C 24.6 0.30 1 892 131 131 LEU CD2 C 20.3 0.30 1 893 131 131 LEU N N 120.5 0.30 1 894 132 132 GLU H H 8.03 0.03 1 895 132 132 GLU HB2 H 1.89 0.03 1 896 132 132 GLU HB3 H 1.95 0.03 1 897 132 132 GLU C C 179.9 0.30 1 898 132 132 GLU CA C 58.5 0.30 1 899 132 132 GLU N N 116.1 0.30 1 900 133 133 THR H H 7.82 0.03 1 901 133 133 THR HA H 5.85 0.03 1 902 133 133 THR C C 174.9 0.30 1 903 133 133 THR CA C 68.1 0.30 1 904 133 133 THR N N 117.8 0.30 1 905 134 134 LEU H H 7.80 0.03 1 906 134 134 LEU HG H 0.34 0.03 1 907 134 134 LEU HD1 H 0.19 0.03 2 908 134 134 LEU HD2 H -0.22 0.03 2 909 134 134 LEU C C 175.1 0.30 1 910 134 134 LEU CA C 57.6 0.30 1 911 134 134 LEU CG C 24.4 0.30 1 912 134 134 LEU CD1 C 24.1 0.30 1 913 134 134 LEU CD2 C 22.4 0.30 1 914 134 134 LEU N N 121.2 0.30 1 915 135 135 LEU H H 7.98 0.03 1 916 135 135 LEU HG H 0.58 0.03 1 917 135 135 LEU HD1 H 0.07 0.03 2 918 135 135 LEU C C 181.3 0.30 1 919 135 135 LEU CA C 56.8 0.30 1 920 135 135 LEU CG C 24.9 0.30 1 921 135 135 LEU CD1 C 20.7 0.30 1 922 135 135 LEU N N 117.0 0.30 1 923 136 136 CYS H H 7.95 0.03 1 924 136 136 CYS HA H 3.69 0.03 1 925 136 136 CYS HB2 H 2.98 0.03 1 926 136 136 CYS HB3 H 2.38 0.03 1 927 136 136 CYS C C 176.4 0.30 1 928 136 136 CYS CA C 61.9 0.30 1 929 136 136 CYS N N 120.7 0.30 1 930 137 137 LEU H H 7.09 0.03 1 931 137 137 LEU HG H 1.43 0.03 1 932 137 137 LEU HD1 H 0.51 0.03 2 933 137 137 LEU HD2 H 0.41 0.03 2 934 137 137 LEU C C 179.2 0.30 1 935 137 137 LEU CA C 57.9 0.30 1 936 137 137 LEU CG C 29.5 0.30 1 937 137 137 LEU CD1 C 23.3 0.30 1 938 137 137 LEU CD2 C 25.3 0.30 1 939 137 137 LEU N N 121.3 0.30 1 940 138 138 ILE H H 7.64 0.03 1 941 138 138 ILE HG12 H 1.49 0.03 1 942 138 138 ILE HG13 H 1.45 0.03 1 943 138 138 ILE HG2 H 0.47 0.03 1 944 138 138 ILE HD1 H -0.58 0.03 1 945 138 138 ILE C C 178.3 0.30 1 946 138 138 ILE CA C 63.4 0.30 1 947 138 138 ILE CD1 C 14.6 0.30 1 948 138 138 ILE N N 111.5 0.30 1 949 139 139 GLY H H 7.35 0.03 1 950 139 139 GLY HA2 H 3.87 0.03 1 951 139 139 GLY HA3 H 3.25 0.03 1 952 139 139 GLY C C 172.4 0.30 1 953 139 139 GLY CA C 43.8 0.30 1 954 139 139 GLY N N 108.4 0.30 1 955 140 140 GLU H H 7.74 0.03 1 956 140 140 GLU HB2 H 2.13 0.03 1 957 140 140 GLU HB3 H 2.00 0.03 1 958 140 140 GLU HG2 H 2.55 0.03 2 959 140 140 GLU C C 178.0 0.30 1 960 140 140 GLU CA C 55.7 0.30 1 961 140 140 GLU N N 117.6 0.30 1 962 141 141 SER H H 7.31 0.03 1 963 141 141 SER HB2 H 3.26 0.03 1 964 141 141 SER HB3 H 3.30 0.03 1 965 141 141 SER C C 173.4 0.30 1 966 141 141 SER CA C 60.1 0.30 1 967 141 141 SER N N 112.7 0.30 1 968 142 142 PHE H H 7.80 0.03 1 969 142 142 PHE HB2 H 3.10 0.03 2 970 142 142 PHE HD1 H 6.89 0.03 3 971 142 142 PHE HE1 H 7.04 0.03 3 972 142 142 PHE C C 174.5 0.30 1 973 142 142 PHE CA C 55.8 0.30 1 974 142 142 PHE N N 118.1 0.30 1 975 143 143 ASP H H 8.00 0.03 1 976 143 143 ASP HB2 H 2.56 0.03 1 977 143 143 ASP HB3 H 2.73 0.03 1 978 143 143 ASP C C 177.8 0.30 1 979 143 143 ASP CA C 55.8 0.30 1 980 143 143 ASP N N 117.8 0.30 1 981 144 144 ASP H H 8.59 0.03 1 982 144 144 ASP HB2 H 2.58 0.03 1 983 144 144 ASP HB3 H 2.74 0.03 1 984 144 144 ASP C C 176.5 0.30 1 985 144 144 ASP CA C 55.9 0.30 1 986 144 144 ASP N N 124.0 0.30 1 987 145 145 TYR H H 7.69 0.03 1 988 145 145 TYR HD1 H 6.85 0.03 3 989 145 145 TYR HE1 H 6.70 0.03 3 990 145 145 TYR C C 176.5 0.30 1 991 145 145 TYR CA C 57.0 0.30 1 992 145 145 TYR N N 117.5 0.30 1 993 146 146 SER H H 7.52 0.03 1 994 146 146 SER HB2 H 4.14 0.03 1 995 146 146 SER HB3 H 3.90 0.03 1 996 146 146 SER CA C 63.0 0.30 1 997 146 146 SER N N 117.7 0.30 1 998 147 147 ASP H H 8.52 0.03 1 999 147 147 ASP HB2 H 2.60 0.03 1 1000 147 147 ASP HB3 H 2.52 0.03 1 1001 147 147 ASP C C 176.6 0.30 1 1002 147 147 ASP CA C 56.4 0.30 1 1003 147 147 ASP CB C 39.9 0.30 1 1004 147 147 ASP N N 121.6 0.30 1 1005 148 148 ASP H H 7.68 0.03 1 1006 148 148 ASP HB2 H 2.79 0.03 2 1007 148 148 ASP C C 176.8 0.30 1 1008 148 148 ASP CA C 55.2 0.30 1 1009 148 148 ASP N N 119.7 0.30 1 1010 149 149 VAL H H 7.51 0.03 1 1011 149 149 VAL HB H 2.22 0.03 1 1012 149 149 VAL HG1 H 0.84 0.03 2 1013 149 149 VAL HG2 H 0.75 0.03 2 1014 149 149 VAL C C 175.9 0.30 1 1015 149 149 VAL CA C 64.1 0.30 1 1016 149 149 VAL CB C 31.9 0.30 1 1017 149 149 VAL CG1 C 21.4 0.30 1 1018 149 149 VAL CG2 C 22.7 0.30 1 1019 149 149 VAL N N 120.5 0.30 1 1020 150 150 CYS H H 9.15 0.03 1 1021 150 150 CYS HB2 H 3.14 0.03 1 1022 150 150 CYS HB3 H 2.82 0.03 1 1023 150 150 CYS C C 172.9 0.30 1 1024 150 150 CYS CA C 58.5 0.30 1 1025 150 150 CYS N N 124.8 0.30 1 1026 151 151 GLY H H 7.25 0.03 1 1027 151 151 GLY HA2 H 4.25 0.03 2 1028 151 151 GLY C C 169.6 0.30 1 1029 151 151 GLY CA C 46.2 0.30 1 1030 151 151 GLY N N 104.0 0.30 1 1031 152 152 ALA H H 8.55 0.03 1 1032 152 152 ALA HA H 5.28 0.03 1 1033 152 152 ALA HB H 1.22 0.03 1 1034 152 152 ALA C C 175.5 0.30 1 1035 152 152 ALA CA C 50.5 0.30 1 1036 152 152 ALA N N 121.8 0.30 1 1037 153 153 VAL H H 8.73 0.03 1 1038 153 153 VAL HB H 1.80 0.03 1 1039 153 153 VAL HG1 H 0.59 0.03 2 1040 153 153 VAL HG2 H 0.25 0.03 2 1041 153 153 VAL C C 175.4 0.30 1 1042 153 153 VAL CA C 60.9 0.30 1 1043 153 153 VAL CB C 37.1 0.30 1 1044 153 153 VAL CG1 C 20.4 0.30 1 1045 153 153 VAL CG2 C 20.1 0.30 1 1046 153 153 VAL N N 119.8 0.30 1 1047 154 154 VAL H H 8.91 0.03 1 1048 154 154 VAL HB H 1.01 0.03 1 1049 154 154 VAL HG1 H 0.44 0.03 2 1050 154 154 VAL HG2 H -0.26 0.03 2 1051 154 154 VAL C C 172.5 0.30 1 1052 154 154 VAL CA C 57.2 0.30 1 1053 154 154 VAL CB C 33.5 0.30 1 1054 154 154 VAL CG1 C 20.9 0.30 1 1055 154 154 VAL CG2 C 18.6 0.30 1 1056 154 154 VAL N N 128.8 0.30 1 1057 155 155 ASN H H 9.22 0.03 1 1058 155 155 ASN HB2 H 2.61 0.03 1 1059 155 155 ASN HB3 H 2.40 0.03 1 1060 155 155 ASN HD21 H 7.75 0.03 1 1061 155 155 ASN HD22 H 6.48 0.03 1 1062 155 155 ASN C C 173.7 0.30 1 1063 155 155 ASN CA C 51.5 0.30 1 1064 155 155 ASN N N 123.4 0.30 1 1065 155 155 ASN ND2 N 113.9 0.30 1 1066 156 156 VAL H H 8.13 0.03 1 1067 156 156 VAL HB H 1.79 0.03 1 1068 156 156 VAL HG1 H 0.63 0.03 2 1069 156 156 VAL HG2 H 0.47 0.03 2 1070 156 156 VAL C C 178.5 0.30 1 1071 156 156 VAL CA C 61.6 0.30 1 1072 156 156 VAL CB C 30.8 0.30 1 1073 156 156 VAL CG1 C 21.0 0.30 1 1074 156 156 VAL CG2 C 19.3 0.30 1 1075 156 156 VAL N N 125.8 0.30 1 1076 157 157 ARG H H 9.17 0.03 1 1077 157 157 ARG HB2 H 1.79 0.03 1 1078 157 157 ARG HB3 H 2.10 0.03 1 1079 157 157 ARG C C 175.8 0.30 1 1080 157 157 ARG CA C 52.6 0.30 1 1081 157 157 ARG N N 131.6 0.30 1 1082 158 158 ALA H H 8.75 0.03 1 1083 158 158 ALA HA H 3.93 0.03 1 1084 158 158 ALA HB H 1.24 0.03 1 1085 158 158 ALA C C 179.5 0.30 1 1086 158 158 ALA CA C 54.3 0.30 1 1087 158 158 ALA CB C 18.1 0.30 1 1088 158 158 ALA N N 125.4 0.30 1 1089 159 159 LYS H H 7.91 0.03 1 1090 159 159 LYS C C 176.1 0.30 1 1091 159 159 LYS CA C 56.1 0.30 1 1092 159 159 LYS N N 113.4 0.30 1 1093 160 160 GLY H H 6.97 0.03 1 1094 160 160 GLY HA2 H 4.16 0.03 1 1095 160 160 GLY HA3 H 3.32 0.03 1 1096 160 160 GLY C C 171.9 0.30 1 1097 160 160 GLY CA C 44.8 0.30 1 1098 160 160 GLY N N 109.9 0.30 1 1099 161 161 ASP H H 7.99 0.03 1 1100 161 161 ASP HB2 H 2.19 0.03 2 1101 161 161 ASP C C 175.0 0.30 1 1102 161 161 ASP CA C 54.1 0.30 1 1103 161 161 ASP N N 124.6 0.30 1 1104 162 162 LYS H H 8.52 0.03 1 1105 162 162 LYS HG2 H 1.30 0.03 2 1106 162 162 LYS C C 175.2 0.30 1 1107 162 162 LYS CA C 54.7 0.30 1 1108 162 162 LYS N N 119.2 0.30 1 1109 163 163 ILE H H 8.76 0.03 1 1110 163 163 ILE HG2 H 1.20 0.03 1 1111 163 163 ILE HD1 H 1.00 0.03 1 1112 163 163 ILE C C 173.5 0.30 1 1113 163 163 ILE CA C 60.2 0.30 1 1114 163 163 ILE CG2 C 18.5 0.30 1 1115 163 163 ILE N N 121.0 0.30 1 1116 164 164 ALA H H 9.03 0.03 1 1117 164 164 ALA HA H 6.16 0.03 1 1118 164 164 ALA HB H 1.46 0.03 1 1119 164 164 ALA C C 178.2 0.30 1 1120 164 164 ALA CA C 50.2 0.30 1 1121 164 164 ALA N N 126.1 0.30 1 1122 165 165 ILE H H 8.21 0.03 1 1123 165 165 ILE HG12 H 1.28 0.03 1 1124 165 165 ILE HG13 H 1.07 0.03 1 1125 165 165 ILE HG2 H 0.57 0.03 1 1126 165 165 ILE C C 175.4 0.30 1 1127 165 165 ILE CA C 60.7 0.30 1 1128 165 165 ILE CG2 C 16.4 0.30 1 1129 165 165 ILE N N 117.4 0.30 1 1130 166 166 TRP H H 9.66 0.03 1 1131 166 166 TRP HB2 H 2.81 0.03 1 1132 166 166 TRP HB3 H 2.74 0.03 1 1133 166 166 TRP HD1 H 6.77 0.03 1 1134 166 166 TRP HE1 H 10.56 0.03 1 1135 166 166 TRP HZ2 H 6.94 0.03 1 1136 166 166 TRP C C 176.6 0.30 1 1137 166 166 TRP CA C 56.2 0.30 1 1138 166 166 TRP N N 131.2 0.30 1 1139 166 166 TRP NE1 N 129.0 0.30 1 1140 167 167 THR H H 9.55 0.03 1 1141 167 167 THR HA H 5.82 0.03 1 1142 167 167 THR HG2 H 1.03 0.03 1 1143 167 167 THR C C 177.5 0.30 1 1144 167 167 THR CA C 60.2 0.30 1 1145 167 167 THR CG2 C 20.7 0.30 1 1146 167 167 THR N N 115.2 0.30 1 1147 168 168 THR H H 8.70 0.03 1 1148 168 168 THR HG2 H 1.13 0.03 1 1149 168 168 THR C C 172.6 0.30 1 1150 168 168 THR CA C 63.2 0.30 1 1151 168 168 THR CG2 C 19.6 0.30 1 1152 168 168 THR N N 117.2 0.30 1 1153 169 169 GLU H H 8.27 0.03 1 1154 169 169 GLU HB2 H 1.80 0.03 1 1155 169 169 GLU HB3 H 1.68 0.03 1 1156 169 169 GLU C C 177.1 0.30 1 1157 169 169 GLU CA C 54.2 0.30 1 1158 169 169 GLU N N 120.6 0.30 1 1159 170 170 CYS H H 9.34 0.03 1 1160 170 170 CYS HA H 4.22 0.03 1 1161 170 170 CYS HB2 H 2.72 0.03 1 1162 170 170 CYS HB3 H 2.53 0.03 1 1163 170 170 CYS C C 174.6 0.30 1 1164 170 170 CYS CA C 59.9 0.30 1 1165 170 170 CYS N N 129.4 0.30 1 1166 171 171 GLU H H 8.99 0.03 1 1167 171 171 GLU HA H 4.25 0.03 1 1168 171 171 GLU HB2 H 1.66 0.03 1 1169 171 171 GLU HB3 H 1.80 0.03 1 1170 171 171 GLU HG2 H 2.25 0.03 1 1171 171 171 GLU HG3 H 2.11 0.03 1 1172 171 171 GLU C C 177.2 0.30 1 1173 171 171 GLU CA C 55.8 0.30 1 1174 171 171 GLU CG C 36.2 0.30 1 1175 171 171 GLU N N 116.4 0.30 1 1176 172 172 ASN H H 7.03 0.03 1 1177 172 172 ASN HA H 4.78 0.03 1 1178 172 172 ASN HB2 H 3.01 0.03 1 1179 172 172 ASN HB3 H 2.55 0.03 1 1180 172 172 ASN HD21 H 6.75 0.03 1 1181 172 172 ASN HD22 H 8.73 0.03 1 1182 172 172 ASN C C 174.1 0.30 1 1183 172 172 ASN CA C 50.7 0.30 1 1184 172 172 ASN N N 120.4 0.30 1 1185 172 172 ASN ND2 N 115.2 0.30 1 1186 173 173 ARG H H 7.66 0.03 1 1187 173 173 ARG HB3 H 1.60 0.03 2 1188 173 173 ARG HG3 H 1.24 0.03 2 1189 173 173 ARG C C 178.2 0.30 1 1190 173 173 ARG CA C 59.5 0.30 1 1191 173 173 ARG N N 123.4 0.30 1 1192 174 174 GLU H H 8.72 0.03 1 1193 174 174 GLU C C 177.9 0.30 1 1194 174 174 GLU CA C 59.8 0.30 1 1195 174 174 GLU N N 121.0 0.30 1 1196 175 175 ALA H H 7.11 0.03 1 1197 175 175 ALA HB H 1.03 0.03 1 1198 175 175 ALA C C 178.9 0.30 1 1199 175 175 ALA CA C 53.7 0.30 1 1200 175 175 ALA CB C 19.6 0.30 1 1201 175 175 ALA N N 121.8 0.30 1 1202 176 176 VAL H H 8.06 0.03 1 1203 176 176 VAL HB H 0.93 0.03 1 1204 176 176 VAL HG1 H -0.62 0.03 2 1205 176 176 VAL HG2 H 0.28 0.03 2 1206 176 176 VAL C C 180.1 0.30 1 1207 176 176 VAL CA C 67.2 0.30 1 1208 176 176 VAL CB C 31.4 0.30 1 1209 176 176 VAL CG1 C 20.2 0.30 1 1210 176 176 VAL CG2 C 23.2 0.30 1 1211 176 176 VAL N N 116.1 0.30 1 1212 177 177 THR H H 7.83 0.03 1 1213 177 177 THR HA H 3.90 0.03 1 1214 177 177 THR HB H 3.69 0.03 1 1215 177 177 THR HG2 H 0.82 0.03 1 1216 177 177 THR C C 175.7 0.30 1 1217 177 177 THR CA C 66.0 0.30 1 1218 177 177 THR N N 112.4 0.30 1 1219 178 178 HIS H H 7.40 0.03 1 1220 178 178 HIS HB3 H 2.71 0.03 2 1221 178 178 HIS C C 176.6 0.30 1 1222 178 178 HIS CA C 60.4 0.30 1 1223 178 178 HIS N N 123.6 0.30 1 1224 179 179 ILE H H 8.07 0.03 1 1225 179 179 ILE HG12 H 1.40 0.03 1 1226 179 179 ILE HG13 H 1.36 0.03 1 1227 179 179 ILE HG2 H 0.45 0.03 1 1228 179 179 ILE HD1 H -0.19 0.03 1 1229 179 179 ILE C C 176.7 0.30 1 1230 179 179 ILE CA C 64.2 0.30 1 1231 179 179 ILE CG2 C 13.5 0.30 1 1232 179 179 ILE CD1 C 14.9 0.30 1 1233 179 179 ILE N N 116.8 0.30 1 1234 180 180 GLY H H 7.50 0.03 1 1235 180 180 GLY C C 174.0 0.30 1 1236 180 180 GLY CA C 45.8 0.30 1 1237 180 180 GLY N N 104.6 0.30 1 1238 181 181 ARG H H 7.59 0.03 1 1239 181 181 ARG HB3 H 1.50 0.03 2 1240 181 181 ARG C C 179.4 0.30 1 1241 181 181 ARG CA C 59.5 0.30 1 1242 181 181 ARG N N 120.8 0.30 1 1243 182 182 VAL H H 7.99 0.03 1 1244 182 182 VAL HB H 1.82 0.03 1 1245 182 182 VAL HG1 H 0.50 0.03 2 1246 182 182 VAL C C 177.9 0.30 1 1247 182 182 VAL CA C 65.6 0.30 1 1248 182 182 VAL CG1 C 22.0 0.30 1 1249 182 182 VAL N N 120.4 0.30 1 1250 183 183 TYR H H 8.39 0.03 1 1251 183 183 TYR HD1 H 6.88 0.03 3 1252 183 183 TYR HE1 H 6.55 0.03 3 1253 183 183 TYR C C 176.6 0.30 1 1254 183 183 TYR CA C 58.5 0.30 1 1255 183 183 TYR N N 121.1 0.30 1 1256 184 184 LYS H H 7.88 0.03 1 1257 184 184 LYS C C 178.9 0.30 1 1258 184 184 LYS CA C 59.8 0.30 1 1259 184 184 LYS N N 116.9 0.30 1 1260 185 185 GLU H H 7.38 0.03 1 1261 185 185 GLU HA H 3.76 0.03 1 1262 185 185 GLU HB2 H 1.87 0.03 2 1263 185 185 GLU C C 180.3 0.30 1 1264 185 185 GLU CA C 58.6 0.30 1 1265 185 185 GLU CB C 29.0 0.30 1 1266 185 185 GLU N N 117.9 0.30 1 1267 186 186 ARG H H 8.50 0.03 1 1268 186 186 ARG HA H 4.18 0.03 1 1269 186 186 ARG HB2 H 1.42 0.03 1 1270 186 186 ARG HB3 H 1.67 0.03 1 1271 186 186 ARG C C 178.9 0.30 1 1272 186 186 ARG CA C 57.3 0.30 1 1273 186 186 ARG N N 121.7 0.30 1 1274 187 187 LEU H H 7.62 0.03 1 1275 187 187 LEU HB3 H 0.97 0.03 2 1276 187 187 LEU HG H 0.98 0.03 1 1277 187 187 LEU HD1 H 0.15 0.03 2 1278 187 187 LEU HD2 H -0.23 0.03 2 1279 187 187 LEU C C 175.8 0.30 1 1280 187 187 LEU CA C 55.7 0.30 1 1281 187 187 LEU CG C 26.6 0.30 1 1282 187 187 LEU CD1 C 21.3 0.30 1 1283 187 187 LEU CD2 C 23.7 0.30 1 1284 187 187 LEU N N 117.0 0.30 1 1285 188 188 GLY H H 7.44 0.03 1 1286 188 188 GLY HA2 H 3.79 0.03 1 1287 188 188 GLY HA3 H 3.69 0.03 1 1288 188 188 GLY C C 175.3 0.30 1 1289 188 188 GLY CA C 45.1 0.30 1 1290 188 188 GLY N N 107.1 0.30 1 1291 189 189 LEU H H 6.84 0.03 1 1292 189 189 LEU HB2 H 1.21 0.03 2 1293 189 189 LEU HG H 0.98 0.03 1 1294 189 189 LEU HD1 H 0.65 0.03 2 1295 189 189 LEU HD2 H 0.39 0.03 2 1296 189 189 LEU CA C 52.6 0.30 1 1297 189 189 LEU CD2 C 25.1 0.30 1 1298 189 189 LEU N N 119.0 0.30 1 1299 191 191 PRO HB2 H 1.85 0.03 1 1300 191 191 PRO HB3 H 2.14 0.03 1 1301 191 191 PRO HG2 H 1.71 0.03 1 1302 191 191 PRO HD3 H 3.32 0.03 1 1303 191 191 PRO HD2 H 3.26 0.03 2 1304 191 191 PRO C C 178.2 0.30 1 1305 191 191 PRO CA C 64.7 0.30 1 1306 191 191 PRO CB C 35.9 0.30 1 1307 191 191 PRO CG C 24.3 0.30 1 1308 191 191 PRO CD C 49.5 0.30 1 1309 192 192 LYS H H 7.66 0.03 1 1310 192 192 LYS HA H 3.91 0.03 1 1311 192 192 LYS HB2 H 1.81 0.03 1 1312 192 192 LYS HB3 H 1.65 0.03 1 1313 192 192 LYS HG2 H 1.13 0.03 2 1314 192 192 LYS C C 176.8 0.30 1 1315 192 192 LYS CA C 56.7 0.30 1 1316 192 192 LYS N N 112.4 0.30 1 1317 193 193 ILE H H 7.47 0.03 1 1318 193 193 ILE HA H 4.00 0.03 1 1319 193 193 ILE HB H 1.79 0.03 1 1320 193 193 ILE HG12 H 1.11 0.03 1 1321 193 193 ILE HG13 H 1.27 0.03 1 1322 193 193 ILE HG2 H 0.67 0.03 1 1323 193 193 ILE HD1 H 0.65 0.03 1 1324 193 193 ILE C C 174.5 0.30 1 1325 193 193 ILE CA C 59.5 0.30 1 1326 193 193 ILE CB C 36.1 0.30 1 1327 193 193 ILE CG1 C 26.6 0.30 1 1328 193 193 ILE CG2 C 16.9 0.30 1 1329 193 193 ILE CD1 C 10.8 0.30 1 1330 193 193 ILE N N 122.5 0.30 1 1331 194 194 VAL H H 7.94 0.03 1 1332 194 194 VAL HA H 4.31 0.03 1 1333 194 194 VAL HB H 1.77 0.03 1 1334 194 194 VAL HG1 H 0.68 0.03 2 1335 194 194 VAL HG2 H 0.67 0.03 2 1336 194 194 VAL C C 176.9 0.30 1 1337 194 194 VAL CA C 60.7 0.30 1 1338 194 194 VAL N N 126.5 0.30 1 1339 195 195 ILE H H 8.84 0.03 1 1340 195 195 ILE HB H 1.86 0.03 1 1341 195 195 ILE HG12 H 0.69 0.03 1 1342 195 195 ILE HG13 H 1.40 0.03 1 1343 195 195 ILE HG2 H 0.70 0.03 1 1344 195 195 ILE HD1 H 0.28 0.03 1 1345 195 195 ILE C C 174.6 0.30 1 1346 195 195 ILE CA C 59.6 0.30 1 1347 195 195 ILE CG1 C 26.1 0.30 1 1348 195 195 ILE CG2 C 17.8 0.30 1 1349 195 195 ILE CD1 C 12.7 0.30 1 1350 195 195 ILE N N 123.4 0.30 1 1351 196 196 GLY H H 8.16 0.03 1 1352 196 196 GLY HA2 H 5.12 0.03 1 1353 196 196 GLY HA3 H 3.43 0.03 1 1354 196 196 GLY C C 171.2 0.30 1 1355 196 196 GLY CA C 43.6 0.30 1 1356 196 196 GLY N N 108.9 0.30 1 1357 197 197 TYR H H 8.04 0.03 1 1358 197 197 TYR HA H 4.88 0.03 1 1359 197 197 TYR HD1 H 6.67 0.03 3 1360 197 197 TYR HE1 H 6.83 0.03 3 1361 197 197 TYR C C 175.3 0.30 1 1362 197 197 TYR CA C 54.6 0.30 1 1363 197 197 TYR N N 124.1 0.30 1 1364 198 198 GLN H H 7.52 0.03 1 1365 198 198 GLN HB2 H 2.00 0.03 2 1366 198 198 GLN HG2 H 2.48 0.03 2 1367 198 198 GLN C C 175.5 0.30 1 1368 198 198 GLN CA C 52.7 0.30 1 1369 198 198 GLN N N 125.3 0.30 1 1370 199 199 SER H H 9.02 0.03 1 1371 199 199 SER HA H 3.84 0.03 1 1372 199 199 SER HB2 H 3.50 0.03 1 1373 199 199 SER HB3 H 3.48 0.03 1 1374 199 199 SER C C 175.7 0.30 1 1375 199 199 SER CA C 56.6 0.30 1 1376 199 199 SER CB C 61.2 0.30 1 1377 199 199 SER N N 120.4 0.30 1 1378 200 200 HIS H H 8.11 0.03 1 1379 200 200 HIS C C 178.0 0.30 1 1380 200 200 HIS CA C 57.3 0.30 1 1381 200 200 HIS N N 126.6 0.30 1 1382 201 201 ALA H H 8.06 0.03 1 1383 201 201 ALA HA H 3.21 0.03 1 1384 201 201 ALA HB H 1.08 0.03 1 1385 201 201 ALA C C 179.6 0.30 1 1386 201 201 ALA CA C 53.9 0.30 1 1387 201 201 ALA CB C 17.5 0.30 1 1388 201 201 ALA N N 121.7 0.30 1 1389 202 202 ASP H H 7.20 0.03 1 1390 202 202 ASP HB2 H 2.50 0.03 1 1391 202 202 ASP HB3 H 2.36 0.03 1 1392 202 202 ASP C C 177.9 0.30 1 1393 202 202 ASP CA C 55.7 0.30 1 1394 202 202 ASP N N 118.1 0.30 1 1395 203 203 THR H H 7.36 0.03 1 1396 203 203 THR HB H 3.76 0.03 1 1397 203 203 THR HG2 H 0.78 0.03 1 1398 203 203 THR C C 175.6 0.30 1 1399 203 203 THR CA C 63.6 0.30 1 1400 203 203 THR CB C 68.3 0.30 1 1401 203 203 THR CG2 C 21.3 0.30 1 1402 203 203 THR N N 114.5 0.30 1 1403 204 204 ALA H H 7.33 0.03 1 1404 204 204 ALA HA H 3.74 0.03 1 1405 204 204 ALA HB H 0.70 0.03 1 1406 204 204 ALA C C 178.4 0.30 1 1407 204 204 ALA CA C 53.0 0.30 1 1408 204 204 ALA CB C 18.4 0.30 1 1409 204 204 ALA N N 123.5 0.30 1 1410 205 205 THR H H 7.31 0.03 1 1411 205 205 THR HA H 4.06 0.03 1 1412 205 205 THR HB H 3.76 0.03 1 1413 205 205 THR HG2 H 0.96 0.03 1 1414 205 205 THR C C 174.5 0.30 1 1415 205 205 THR CA C 61.5 0.30 1 1416 205 205 THR N N 110.4 0.30 1 1417 206 206 LYS H H 7.80 0.03 1 1418 206 206 LYS HB3 H 1.56 0.03 2 1419 206 206 LYS HG2 H 1.14 0.03 2 1420 206 206 LYS CA C 56.0 0.30 1 1421 206 206 LYS N N 123.1 0.30 1 1422 207 207 SER C C 175.3 0.30 1 1423 208 208 GLY H H 8.27 0.03 1 1424 208 208 GLY N N 111.8 0.30 1 1425 209 209 SER C C 174.7 0.30 1 1426 209 209 SER CA C 58.0 0.30 1 1427 210 210 THR H H 7.95 0.03 1 1428 210 210 THR C C 174.3 0.30 1 1429 210 210 THR CA C 61.3 0.30 1 1430 210 210 THR N N 115.8 0.30 1 1431 211 211 THR H H 7.95 0.03 1 1432 211 211 THR HA H 3.89 0.03 1 1433 211 211 THR HB H 3.71 0.03 1 1434 211 211 THR HG2 H 0.87 0.03 1 1435 211 211 THR C C 173.8 0.30 1 1436 211 211 THR CA C 61.8 0.30 1 1437 211 211 THR CB C 69.0 0.30 1 1438 211 211 THR CG2 C 21.4 0.30 1 1439 211 211 THR N N 119.3 0.30 1 1440 212 212 LYS H H 8.16 0.03 1 1441 212 212 LYS HA H 3.96 0.03 1 1442 212 212 LYS HB2 H 1.43 0.03 1 1443 212 212 LYS HB3 H 1.39 0.03 1 1444 212 212 LYS HG2 H 1.06 0.03 1 1445 212 212 LYS HG3 H 1.04 0.03 1 1446 212 212 LYS HD2 H 1.33 0.03 2 1447 212 212 LYS HE2 H 2.63 0.03 1 1448 212 212 LYS HE3 H 2.68 0.03 1 1449 212 212 LYS C C 175.8 0.30 1 1450 212 212 LYS CA C 55.4 0.30 1 1451 212 212 LYS CB C 32.6 0.30 1 1452 212 212 LYS CG C 26.0 0.30 1 1453 212 212 LYS CD C 28.7 0.30 1 1454 212 212 LYS CE C 41.52 0.30 1 1455 212 212 LYS N N 125.7 0.30 1 1456 213 213 ASN H H 8.31 0.03 1 1457 213 213 ASN HB2 H 2.55 0.03 1 1458 213 213 ASN HB3 H 2.39 0.03 1 1459 213 213 ASN HD21 H 7.44 0.03 1 1460 213 213 ASN HD22 H 6.79 0.03 1 1461 213 213 ASN C C 175.8 0.30 1 1462 213 213 ASN CA C 52.5 0.30 1 1463 213 213 ASN N N 120.7 0.30 1 1464 213 213 ASN ND2 N 114.1 0.30 1 1465 214 214 ARG H H 8.80 0.03 1 1466 214 214 ARG C C 175.6 0.30 1 1467 214 214 ARG CA C 56.5 0.30 1 1468 214 214 ARG N N 124.0 0.30 1 1469 215 215 PHE H H 7.18 0.03 1 1470 215 215 PHE HB2 H 3.15 0.03 1 1471 215 215 PHE HB3 H 2.16 0.03 1 1472 215 215 PHE HD1 H 6.62 0.03 3 1473 215 215 PHE HE1 H 6.78 0.03 3 1474 215 215 PHE C C 173.8 0.30 1 1475 215 215 PHE CA C 55.0 0.30 1 1476 215 215 PHE N N 113.0 0.30 1 1477 216 216 VAL H H 8.33 0.03 1 1478 216 216 VAL HA H 5.47 0.03 1 1479 216 216 VAL HB H 1.98 0.03 1 1480 216 216 VAL HG1 H 0.77 0.03 2 1481 216 216 VAL HG2 H 0.68 0.03 2 1482 216 216 VAL C C 175.4 0.30 1 1483 216 216 VAL CA C 60.0 0.30 1 1484 216 216 VAL CB C 35.7 0.30 1 1485 216 216 VAL CG1 C 21.8 0.30 1 1486 216 216 VAL CG2 C 18.5 0.30 1 1487 216 216 VAL N N 116.4 0.30 1 1488 217 217 VAL H H 8.43 0.03 1 1489 217 217 VAL HA H 3.98 0.03 1 1490 217 217 VAL HB H 1.78 0.03 1 1491 217 217 VAL HG1 H 0.67 0.03 2 1492 217 217 VAL HG2 H 0.24 0.03 2 1493 217 217 VAL CA C 62.8 0.30 1 1494 217 217 VAL CB C 34.3 0.30 1 1495 217 217 VAL CG1 C 20.8 0.30 1 1496 217 217 VAL CG2 C 19.5 0.30 1 1497 217 217 VAL N N 124.9 0.30 1 stop_ save_