data_34201 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Rtt109 peptide bound to Asf1 ; _BMRB_accession_number 34201 _BMRB_flat_file_name bmr34201.str _Entry_type original _Submission_date 2017-11-21 _Accession_date 2017-11-21 _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 Lercher L. . . 2 Kirkpatrick J. P. . 3 Carlomagno T. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1232 "13C chemical shifts" 750 "15N chemical shifts" 176 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-08-14 update BMRB 'update entry citation' 2017-12-21 original author 'original release' stop_ _Original_release_date 2017-12-18 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural characterization of the Asf1-Rtt109 interaction and its role in histone acetylation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29300933 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lercher Lukas . . 2 Danilenko Nataliya . . 3 Kirkpatrick John . . 4 Carlomagno Teresa . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 46 _Journal_issue 5 _Journal_ISSN 1362-4962 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2279 _Page_last 2289 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Histone chaperone ASF1, histone acetyltransferase Rtt109 C-terminus (E.C.2.3.1.48)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 19327.652 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 172 _Mol_residue_sequence ; GAMGSIVSLLGIKVLNNPAK FTDPYEFEITFECLESLKHD LEWKLTYVGSSRSLDHDQEL DSILVGPVPVGVNKFVFSAD PPSAELIPASELVSVTVILL SCSYDGREFVRVGYYVNNEY DEEELRENPPAKVQVDHIVR NILAEKPRVTRFNIVWDNEN EGDLYPPEQPGV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 ALA 3 0 MET 4 1 GLY 5 2 SER 6 3 ILE 7 4 VAL 8 5 SER 9 6 LEU 10 7 LEU 11 8 GLY 12 9 ILE 13 10 LYS 14 11 VAL 15 12 LEU 16 13 ASN 17 14 ASN 18 15 PRO 19 16 ALA 20 17 LYS 21 18 PHE 22 19 THR 23 20 ASP 24 21 PRO 25 22 TYR 26 23 GLU 27 24 PHE 28 25 GLU 29 26 ILE 30 27 THR 31 28 PHE 32 29 GLU 33 30 CYS 34 31 LEU 35 32 GLU 36 33 SER 37 34 LEU 38 35 LYS 39 36 HIS 40 37 ASP 41 38 LEU 42 39 GLU 43 40 TRP 44 41 LYS 45 42 LEU 46 43 THR 47 44 TYR 48 45 VAL 49 46 GLY 50 47 SER 51 48 SER 52 49 ARG 53 50 SER 54 51 LEU 55 52 ASP 56 53 HIS 57 54 ASP 58 55 GLN 59 56 GLU 60 57 LEU 61 58 ASP 62 59 SER 63 60 ILE 64 61 LEU 65 62 VAL 66 63 GLY 67 64 PRO 68 65 VAL 69 66 PRO 70 67 VAL 71 68 GLY 72 69 VAL 73 70 ASN 74 71 LYS 75 72 PHE 76 73 VAL 77 74 PHE 78 75 SER 79 76 ALA 80 77 ASP 81 78 PRO 82 79 PRO 83 80 SER 84 81 ALA 85 82 GLU 86 83 LEU 87 84 ILE 88 85 PRO 89 86 ALA 90 87 SER 91 88 GLU 92 89 LEU 93 90 VAL 94 91 SER 95 92 VAL 96 93 THR 97 94 VAL 98 95 ILE 99 96 LEU 100 97 LEU 101 98 SER 102 99 CYS 103 100 SER 104 101 TYR 105 102 ASP 106 103 GLY 107 104 ARG 108 105 GLU 109 106 PHE 110 107 VAL 111 108 ARG 112 109 VAL 113 110 GLY 114 111 TYR 115 112 TYR 116 113 VAL 117 114 ASN 118 115 ASN 119 116 GLU 120 117 TYR 121 118 ASP 122 119 GLU 123 120 GLU 124 121 GLU 125 122 LEU 126 123 ARG 127 124 GLU 128 125 ASN 129 126 PRO 130 127 PRO 131 128 ALA 132 129 LYS 133 130 VAL 134 131 GLN 135 132 VAL 136 133 ASP 137 134 HIS 138 135 ILE 139 136 VAL 140 137 ARG 141 138 ASN 142 139 ILE 143 140 LEU 144 141 ALA 145 142 GLU 146 143 LYS 147 144 PRO 148 145 ARG 149 146 VAL 150 147 THR 151 148 ARG 152 149 PHE 153 150 ASN 154 151 ILE 155 152 VAL 156 153 TRP 157 154 ASP 158 155 ASN 159 156 GLU 160 157 ASN 161 158 GLU 162 159 GLY 163 160 ASP 164 161 LEU 165 162 TYR 166 163 PRO 167 164 PRO 168 165 GLU 169 166 GLN 170 167 PRO 171 168 GLY 172 169 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 1687.207 _Mol_thiol_state 'not present' _Details . _Residue_count 15 _Mol_residue_sequence ; LAITMLKPRKKAKAL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 419 LEU 2 420 ALA 3 421 ILE 4 422 THR 5 423 MET 6 424 LEU 7 425 LYS 8 426 PRO 9 427 ARG 10 428 LYS 11 429 LYS 12 430 ALA 13 431 LYS 14 432 ALA 15 433 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _ATCC_number _Gene_mnemonic $entity_1 "Baker's yeast" 559292 Eukaryota Fungi Saccharomyces cerevisiae 'ATCC 204508 / S288c' 204508 'ASF1, CIA1, YJL115W, J0755' $entity_2 "Baker's yeast" 559292 Eukaryota Fungi Saccharomyces cerevisiae . . . 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 $entity_1 'recombinant technology' . . . BL21(DE3) Plasmid pETM11 $entity_2 'chemical synthesis' . . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.5 mM [U-99% 13C; U-99% 15N] Histone chaperone Asf1, 3 mM histone acetyltransferase Rtt109 C-terminus, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-99% 13C; U-99% 15N]' $entity_2 3 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.15 mM [U-99% 13C; U-99% 15N] Histone chaperone Asf1, 0.5 mM histone acetyltransferase Rtt109 C-terminus, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.15 mM '[U-99% 13C; U-99% 15N]' $entity_2 0.5 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; 0.5 mM [U-99% 13C; U-99% 15N; U-99% 2D] Histone chaperone ASF1, 0.15 mM histone acetyltransferase Rtt109 C-terminus, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 0.15 mM 'natural abundance' $entity_1 0.5 mM '[U-99% 13C; U-99% 15N; U-99% 2D]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name Analysis _Version 2.4.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name CNS _Version 1.21 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Delano, Gros, Grosse-Kunstleve, Jiang, Kuszewski, Nilges, Pannu, Read, Rice, Simonson, Warren' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name ARIA _Version 2.3 loop_ _Vendor _Address _Electronic_address 'W. Rieping, M. Habeck, B. Bardiaux, A. Bernard, T.E. Malliavin, M. Nilges' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name PALES _Version . loop_ _Vendor _Address _Electronic_address 'M. Zweckstetter' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_7 _Saveframe_category software _Name TALOS-N _Version . loop_ _Vendor _Address _Electronic_address 'Y. Shen, A. Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III HD' _Field_strength 850 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III HD' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_(HB)CB(CGCD)HD_3 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCD)HD _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_13C,15N_filtered_1H-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C,15N filtered 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_TROSY-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY-HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_TROSY-HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY-HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_3 save_ save_2D_1H-1H_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 6.2 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 6.2 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _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 water C 13 protons ppm 4.78 internal indirect . . . 0.25144953 water H 1 protons ppm 4.78 internal direct . . . 1 water N 15 protons ppm 4.78 internal indirect . . . 0.101329118 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_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HCCH-TOCSY' (HB)CB(CGCD)HD '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D 13C,15N filtered 1H-13C NOESY' '2D 1H-15N HSQC' '2D 1H-15N TROSY-HSQC' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_2 _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 1 419 1 LEU H H 8.132 0.002 1 2 419 1 LEU HA H 4.271 0.005 1 3 419 1 LEU HB2 H 1.553 . 2 4 419 1 LEU HB3 H 1.520 0.002 2 5 419 1 LEU HG H 1.611 0.001 1 6 419 1 LEU HD1 H 0.913 0.008 2 7 419 1 LEU HD2 H 0.870 0.009 2 8 420 2 ALA H H 8.320 0.006 1 9 420 2 ALA HA H 4.365 0.002 1 10 420 2 ALA HB H 1.345 0.006 1 11 421 3 ILE H H 8.006 0.003 1 12 421 3 ILE HA H 4.277 0.006 1 13 421 3 ILE HB H 1.613 0.003 1 14 421 3 ILE HG12 H 1.457 0.004 2 15 421 3 ILE HG13 H 0.760 0.008 2 16 421 3 ILE HG2 H 0.678 0.003 1 17 421 3 ILE HD1 H 0.857 0.008 1 18 422 4 THR H H 8.439 0.005 1 19 422 4 THR HA H 4.262 0.005 1 20 422 4 THR HB H 4.354 0.007 1 21 422 4 THR HG2 H 1.155 0.002 1 22 423 5 MET H H 8.670 0.002 1 23 423 5 MET HA H 5.145 0.004 1 24 423 5 MET HB2 H 2.143 0.004 2 25 423 5 MET HB3 H 2.014 0.008 2 26 423 5 MET HG2 H 2.579 0.003 2 27 423 5 MET HG3 H 2.648 0.006 2 28 423 5 MET HE H 2.072 0.003 1 29 424 6 LEU H H 8.901 0.007 1 30 424 6 LEU HA H 4.262 0.012 1 31 424 6 LEU HB2 H 1.483 0.014 2 32 424 6 LEU HB3 H 1.578 0.016 2 33 424 6 LEU HG H 1.812 0.004 1 34 424 6 LEU HD1 H 0.907 0.007 2 35 424 6 LEU HD2 H 0.946 0.007 2 36 425 7 LYS H H 8.524 0.014 1 37 425 7 LYS HA H 5.007 0.003 1 38 425 7 LYS HB2 H 1.912 0.007 2 39 425 7 LYS HB3 H 1.829 0.002 2 40 425 7 LYS HG2 H 1.462 0.007 2 41 425 7 LYS HG3 H 1.462 0.007 2 42 425 7 LYS HD2 H 1.560 0.004 1 43 425 7 LYS HD3 H 1.560 0.004 1 44 425 7 LYS HE2 H 3.075 0.005 1 45 425 7 LYS HE3 H 3.075 0.005 1 46 426 8 PRO HA H 4.656 0.006 1 47 426 8 PRO HB2 H 2.304 0.007 2 48 426 8 PRO HB3 H 2.195 0.004 2 49 426 8 PRO HG2 H 1.780 0.0 2 50 426 8 PRO HG3 H 1.913 0.004 2 51 426 8 PRO HD2 H 4.126 0.003 2 52 426 8 PRO HD3 H 4.045 0.006 2 53 427 9 ARG H H 8.884 0.007 1 54 427 9 ARG HB2 H 1.816 0.0 2 55 427 9 ARG HB3 H 1.799 0.008 2 56 427 9 ARG HG2 H 1.706 0.006 2 57 427 9 ARG HG3 H 1.599 0.003 2 58 427 9 ARG HD2 H 3.213 0.003 2 59 427 9 ARG HD3 H 3.333 0.002 2 60 428 10 LYS H H 8.802 0.003 1 61 428 10 LYS HA H 4.551 0.005 1 62 428 10 LYS HB2 H 1.898 0.003 2 63 428 10 LYS HB3 H 1.819 0.005 2 64 428 10 LYS HG2 H 1.665 0.002 1 65 428 10 LYS HG3 H 1.665 0.002 1 66 428 10 LYS HD2 H 1.569 0.004 1 67 428 10 LYS HD3 H 1.569 0.004 1 68 428 10 LYS HE2 H 3.132 0.0 2 69 428 10 LYS HE3 H 3.067 0.005 2 70 429 11 LYS H H 8.514 0.003 1 71 429 11 LYS HA H 4.186 0.004 1 72 429 11 LYS HB2 H 1.532 0.002 2 73 429 11 LYS HB3 H 1.826 0.003 2 74 429 11 LYS HG2 H 1.438 0.007 1 75 429 11 LYS HG3 H 1.438 0.007 1 76 429 11 LYS HD2 H 1.621 0.007 2 77 429 11 LYS HD3 H 1.622 0.007 2 78 429 11 LYS HE2 H 2.967 0.005 2 79 429 11 LYS HE3 H 2.910 0.003 2 80 430 12 ALA H H 8.545 0.003 1 81 430 12 ALA HA H 4.298 0.007 1 82 430 12 ALA HB H 1.415 0.005 1 83 431 13 LYS H H 8.390 0.004 1 84 431 13 LYS HA H 4.323 0.011 1 85 431 13 LYS HB2 H 1.859 0.002 2 86 431 13 LYS HB3 H 1.776 0.003 2 87 431 13 LYS HG2 H 1.516 0.005 2 88 431 13 LYS HG3 H 1.511 . 2 89 431 13 LYS HD2 H 1.774 . 1 90 431 13 LYS HD3 H 1.774 . 1 91 431 13 LYS HE2 H 3.077 0.009 2 92 431 13 LYS HE3 H 3.077 0.009 2 93 432 14 ALA H H 8.383 0.004 1 94 432 14 ALA HA H 4.333 0.005 1 95 432 14 ALA HB H 1.368 0.002 1 96 433 15 LEU H H 8.296 0.001 1 97 433 15 LEU HA H 4.622 0.003 1 98 433 15 LEU HB2 H 1.724 0.003 2 99 433 15 LEU HB3 H 1.619 . 2 100 433 15 LEU HG H 1.596 0.006 1 101 433 15 LEU HD1 H 0.948 0.002 2 102 433 15 LEU HD2 H 0.960 0.012 2 stop_ save_ save_assigned_chemical_shifts_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HCCH-TOCSY' (HB)CB(CGCD)HD '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D 13C,15N filtered 1H-13C NOESY' '2D 1H-15N HSQC' '2D 1H-15N TROSY-HSQC' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 -2 1 GLY HA2 H 3.854 0.0 2 2 -2 1 GLY HA3 H 3.854 0.0 2 3 -2 1 GLY C C 169.983 . 1 4 -2 1 GLY CA C 43.357 0.003 1 5 -1 2 ALA H H 8.701 0.001 1 6 -1 2 ALA HA H 4.363 0.001 1 7 -1 2 ALA HB H 1.371 0.003 1 8 -1 2 ALA C C 177.750 . 1 9 -1 2 ALA CA C 52.595 0.021 1 10 -1 2 ALA CB C 19.452 0.015 1 11 -1 2 ALA N N 123.981 0.007 1 12 0 3 MET H H 8.548 0.001 1 13 0 3 MET HA H 4.493 0.002 1 14 0 3 MET HB2 H 2.007 0.001 2 15 0 3 MET HB3 H 2.084 0.001 2 16 0 3 MET HG2 H 2.585 0.001 2 17 0 3 MET HG3 H 2.521 0.001 2 18 0 3 MET HE H 2.054 0.001 1 19 0 3 MET C C 176.475 . 1 20 0 3 MET CA C 55.523 0.026 1 21 0 3 MET CB C 32.990 0.019 1 22 0 3 MET CG C 32.140 0.03 1 23 0 3 MET CE C 17.025 0.009 1 24 0 3 MET N N 119.813 0.014 1 25 1 4 GLY H H 8.317 0.002 1 26 1 4 GLY HA2 H 3.952 0.009 2 27 1 4 GLY HA3 H 4.014 0.007 2 28 1 4 GLY C C 173.740 . 1 29 1 4 GLY CA C 45.093 0.041 1 30 1 4 GLY N N 109.774 0.011 1 31 2 5 SER H H 8.162 0.002 1 32 2 5 SER HA H 4.448 0.004 1 33 2 5 SER HB2 H 3.907 0.003 2 34 2 5 SER HB3 H 3.907 0.003 2 35 2 5 SER C C 174.608 . 1 36 2 5 SER CA C 58.252 0.054 1 37 2 5 SER CB C 63.915 0.026 1 38 2 5 SER N N 115.279 0.012 1 39 3 6 ILE H H 5.576 0.004 1 40 3 6 ILE HA H 3.378 0.005 1 41 3 6 ILE HB H -0.028 0.011 1 42 3 6 ILE HG12 H 0.643 0.002 2 43 3 6 ILE HG13 H 0.353 0.004 2 44 3 6 ILE HG2 H 0.509 0.002 1 45 3 6 ILE HD1 H 0.312 0.001 1 46 3 6 ILE C C 174.485 . 1 47 3 6 ILE CA C 61.749 0.03 1 48 3 6 ILE CB C 36.409 0.049 1 49 3 6 ILE CG1 C 27.386 0.047 1 50 3 6 ILE CG2 C 19.286 0.019 1 51 3 6 ILE CD1 C 10.719 0.012 1 52 3 6 ILE N N 121.758 0.034 1 53 4 7 VAL H H 6.000 0.003 1 54 4 7 VAL HA H 5.082 0.003 1 55 4 7 VAL HB H 1.664 0.004 1 56 4 7 VAL HG1 H 0.987 0.003 2 57 4 7 VAL HG2 H 0.707 0.002 2 58 4 7 VAL C C 175.186 . 1 59 4 7 VAL CA C 60.230 0.024 1 60 4 7 VAL CB C 33.614 0.04 1 61 4 7 VAL CG1 C 21.343 0.03 2 62 4 7 VAL CG2 C 22.752 0.044 2 63 4 7 VAL N N 115.922 0.01 1 64 5 8 SER H H 8.801 0.003 1 65 5 8 SER HA H 4.968 0.005 1 66 5 8 SER HB2 H 3.856 0.002 2 67 5 8 SER HB3 H 3.719 0.003 2 68 5 8 SER C C 173.911 . 1 69 5 8 SER CA C 56.476 0.042 1 70 5 8 SER CB C 65.285 0.027 1 71 5 8 SER N N 120.700 0.014 1 72 6 9 LEU H H 9.543 0.002 1 73 6 9 LEU HA H 4.444 0.005 1 74 6 9 LEU HB2 H 1.818 0.003 2 75 6 9 LEU HB3 H 1.711 0.005 2 76 6 9 LEU HG H 1.781 0.005 1 77 6 9 LEU HD1 H 1.122 0.001 2 78 6 9 LEU HD2 H 1.024 0.001 2 79 6 9 LEU C C 175.796 . 1 80 6 9 LEU CA C 56.158 0.037 1 81 6 9 LEU CB C 42.914 0.066 1 82 6 9 LEU CG C 27.502 0.043 1 83 6 9 LEU CD1 C 24.977 0.018 2 84 6 9 LEU CD2 C 25.436 0.024 2 85 6 9 LEU N N 127.686 0.012 1 86 7 10 LEU H H 8.951 0.005 1 87 7 10 LEU HA H 4.680 0.002 1 88 7 10 LEU HB2 H 1.567 0.003 2 89 7 10 LEU HB3 H 1.393 0.002 2 90 7 10 LEU HG H 1.671 0.006 1 91 7 10 LEU HD1 H 0.870 0.002 2 92 7 10 LEU HD2 H 0.886 0.001 2 93 7 10 LEU C C 177.745 . 1 94 7 10 LEU CA C 55.493 0.071 1 95 7 10 LEU CB C 42.981 0.052 1 96 7 10 LEU CG C 27.540 0.073 1 97 7 10 LEU CD1 C 22.592 0.038 2 98 7 10 LEU CD2 C 26.600 0.015 2 99 7 10 LEU N N 125.605 0.022 1 100 8 11 GLY H H 7.867 0.002 1 101 8 11 GLY HA2 H 4.164 0.007 2 102 8 11 GLY HA3 H 4.068 0.004 2 103 8 11 GLY C C 170.701 . 1 104 8 11 GLY CA C 46.584 0.048 1 105 8 11 GLY N N 106.105 0.015 1 106 9 12 ILE H H 8.326 0.003 1 107 9 12 ILE HA H 4.785 0.0 1 108 9 12 ILE HB H 1.812 0.004 1 109 9 12 ILE HG12 H 1.688 0.002 2 110 9 12 ILE HG13 H 1.036 0.003 2 111 9 12 ILE HG2 H 0.827 0.002 1 112 9 12 ILE HD1 H 0.948 0.003 1 113 9 12 ILE C C 174.857 . 1 114 9 12 ILE CA C 61.131 . 1 115 9 12 ILE CB C 41.345 0.032 1 116 9 12 ILE CG1 C 28.334 0.038 1 117 9 12 ILE CG2 C 17.990 0.029 1 118 9 12 ILE CD1 C 14.919 0.023 1 119 9 12 ILE N N 120.334 0.015 1 120 10 13 LYS H H 9.066 0.002 1 121 10 13 LYS HA H 4.790 0.0 1 122 10 13 LYS HB2 H 1.790 0.004 2 123 10 13 LYS HB3 H 1.642 0.003 2 124 10 13 LYS HG2 H 1.200 0.001 2 125 10 13 LYS HG3 H 1.415 0.004 2 126 10 13 LYS HD2 H 1.622 0.002 2 127 10 13 LYS HD3 H 1.622 0.002 2 128 10 13 LYS HE2 H 2.922 0.001 2 129 10 13 LYS HE3 H 2.922 0.001 2 130 10 13 LYS C C 175.339 . 1 131 10 13 LYS CA C 53.946 . 1 132 10 13 LYS CB C 35.546 0.026 1 133 10 13 LYS CG C 24.900 0.013 1 134 10 13 LYS CD C 29.399 0.019 1 135 10 13 LYS CE C 42.093 0.015 1 136 10 13 LYS N N 128.209 0.018 1 137 11 14 VAL H H 9.018 0.002 1 138 11 14 VAL HA H 3.965 0.009 1 139 11 14 VAL HB H 1.867 0.002 1 140 11 14 VAL HG1 H 0.613 0.002 2 141 11 14 VAL HG2 H 0.607 0.002 2 142 11 14 VAL C C 175.966 . 1 143 11 14 VAL CA C 62.361 0.041 1 144 11 14 VAL CB C 30.876 0.049 1 145 11 14 VAL CG1 C 22.532 0.025 2 146 11 14 VAL CG2 C 20.881 0.04 2 147 11 14 VAL N N 127.321 0.016 1 148 12 15 LEU H H 8.301 0.003 1 149 12 15 LEU HA H 4.199 0.005 1 150 12 15 LEU HB2 H 1.594 0.0 2 151 12 15 LEU HB3 H 1.353 0.002 2 152 12 15 LEU HD1 H 0.712 0.005 2 153 12 15 LEU HD2 H 0.769 0.002 2 154 12 15 LEU C C 176.342 . 1 155 12 15 LEU CA C 55.670 0.071 1 156 12 15 LEU CB C 41.591 0.055 1 157 12 15 LEU CD1 C 22.302 0.034 2 158 12 15 LEU CD2 C 25.697 0.029 2 159 12 15 LEU N N 127.696 0.019 1 160 13 16 ASN H H 8.443 0.002 1 161 13 16 ASN HA H 4.591 0.006 1 162 13 16 ASN HB2 H 2.564 0.011 2 163 13 16 ASN HB3 H 2.602 0.003 2 164 13 16 ASN HD21 H 7.715 0.005 1 165 13 16 ASN HD22 H 7.173 0.004 1 166 13 16 ASN C C 172.185 . 1 167 13 16 ASN CA C 52.300 0.031 1 168 13 16 ASN CB C 36.630 0.065 1 169 13 16 ASN N N 116.263 0.017 1 170 13 16 ASN ND2 N 113.313 0.018 1 171 14 17 ASN H H 8.169 0.002 1 172 14 17 ASN HA H 4.748 0.0 1 173 14 17 ASN HB2 H 2.190 0.001 2 174 14 17 ASN HB3 H 2.719 0.007 2 175 14 17 ASN HD21 H 8.104 0.004 1 176 14 17 ASN HD22 H 8.271 0.007 1 177 14 17 ASN CA C 50.704 . 1 178 14 17 ASN CB C 42.751 0.052 1 179 14 17 ASN N N 119.677 0.026 1 180 14 17 ASN ND2 N 117.817 0.013 1 181 15 18 PRO HA H 5.151 0.003 1 182 15 18 PRO HB2 H 2.422 0.003 2 183 15 18 PRO HB3 H 1.978 0.006 2 184 15 18 PRO HG2 H 1.810 0.002 2 185 15 18 PRO HG3 H 1.781 0.003 2 186 15 18 PRO HD2 H 3.554 0.0 2 187 15 18 PRO HD3 H 3.526 0.005 2 188 15 18 PRO C C 174.921 . 1 189 15 18 PRO CA C 63.963 0.071 1 190 15 18 PRO CB C 35.610 0.023 1 191 15 18 PRO CG C 25.248 0.021 1 192 15 18 PRO CD C 50.535 0.043 1 193 16 19 ALA H H 8.712 0.002 1 194 16 19 ALA HA H 4.673 0.005 1 195 16 19 ALA HB H 1.514 0.002 1 196 16 19 ALA C C 176.209 . 1 197 16 19 ALA CA C 51.455 0.03 1 198 16 19 ALA CB C 22.297 0.02 1 199 16 19 ALA N N 121.703 0.026 1 200 17 20 LYS H H 8.301 0.002 1 201 17 20 LYS HA H 4.632 0.008 1 202 17 20 LYS HB2 H 1.543 0.0 2 203 17 20 LYS HB3 H 2.147 0.001 2 204 17 20 LYS HG2 H 1.626 0.003 2 205 17 20 LYS HG3 H 1.495 0.006 2 206 17 20 LYS HD2 H 1.687 0.003 2 207 17 20 LYS HD3 H 1.687 0.003 2 208 17 20 LYS HE2 H 3.024 0.011 2 209 17 20 LYS HE3 H 2.986 0.011 2 210 17 20 LYS C C 178.086 . 1 211 17 20 LYS CA C 56.488 0.053 1 212 17 20 LYS CB C 31.963 0.015 1 213 17 20 LYS CG C 24.595 0.014 1 214 17 20 LYS CD C 28.387 0.028 1 215 17 20 LYS CE C 41.574 0.025 1 216 17 20 LYS N N 118.377 0.011 1 217 18 21 PHE H H 8.401 0.003 1 218 18 21 PHE HA H 3.692 0.0 1 219 18 21 PHE HB2 H 3.121 0.0 2 220 18 21 PHE HB3 H 2.915 . 2 221 18 21 PHE HD1 H 6.991 0.004 1 222 18 21 PHE HD2 H 6.991 0.004 1 223 18 21 PHE HE1 H 7.189 0.004 1 224 18 21 PHE HE2 H 7.189 0.004 1 225 18 21 PHE HZ H 6.908 0.001 1 226 18 21 PHE C C 175.387 . 1 227 18 21 PHE CA C 61.926 0.0 1 228 18 21 PHE CB C 40.555 . 1 229 18 21 PHE CD1 C 132.494 0.044 1 230 18 21 PHE CD2 C 132.494 0.044 1 231 18 21 PHE CE1 C 131.121 0.028 1 232 18 21 PHE CE2 C 131.121 0.028 1 233 18 21 PHE CZ C 129.783 0.02 1 234 18 21 PHE N N 121.379 0.025 1 235 19 22 THR H H 7.292 0.002 1 236 19 22 THR HA H 4.024 0.004 1 237 19 22 THR HB H 4.642 0.003 1 238 19 22 THR HG2 H 1.348 0.002 1 239 19 22 THR C C 174.405 . 1 240 19 22 THR CA C 61.191 0.045 1 241 19 22 THR CB C 68.952 0.038 1 242 19 22 THR CG2 C 22.003 0.036 1 243 19 22 THR N N 98.710 0.024 1 244 20 23 ASP H H 7.455 0.002 1 245 20 23 ASP HA H 4.835 0.009 1 246 20 23 ASP HB2 H 2.799 0.004 2 247 20 23 ASP HB3 H 2.379 0.01 2 248 20 23 ASP CA C 53.006 0.01 1 249 20 23 ASP CB C 39.595 0.038 1 250 20 23 ASP N N 123.522 0.016 1 251 21 24 PRO HA H 4.483 0.003 1 252 21 24 PRO HB2 H 1.695 0.004 2 253 21 24 PRO HB3 H 2.259 0.004 2 254 21 24 PRO HG2 H 1.897 0.004 2 255 21 24 PRO HG3 H 1.966 0.005 2 256 21 24 PRO HD2 H 3.834 0.006 2 257 21 24 PRO HD3 H 3.532 0.001 2 258 21 24 PRO C C 176.874 . 1 259 21 24 PRO CA C 62.894 0.06 1 260 21 24 PRO CB C 32.035 0.034 1 261 21 24 PRO CG C 27.374 0.051 1 262 21 24 PRO CD C 50.256 0.053 1 263 22 25 TYR H H 9.180 0.003 1 264 22 25 TYR HA H 4.184 0.006 1 265 22 25 TYR HB2 H 2.604 0.0 2 266 22 25 TYR HB3 H 2.507 0.0 2 267 22 25 TYR HD1 H 6.776 0.005 1 268 22 25 TYR HD2 H 6.776 0.005 1 269 22 25 TYR HE1 H 6.551 0.004 1 270 22 25 TYR HE2 H 6.551 0.004 1 271 22 25 TYR C C 175.396 . 1 272 22 25 TYR CA C 57.263 0.019 1 273 22 25 TYR CB C 40.558 0.019 1 274 22 25 TYR CD1 C 132.978 0.079 1 275 22 25 TYR CD2 C 132.978 0.079 1 276 22 25 TYR CE1 C 118.227 0.086 1 277 22 25 TYR CE2 C 118.227 0.086 1 278 22 25 TYR N N 122.582 0.013 1 279 23 26 GLU H H 7.788 0.004 1 280 23 26 GLU HA H 5.114 0.007 1 281 23 26 GLU HB2 H 1.885 . 2 282 23 26 GLU HB3 H 1.886 . 2 283 23 26 GLU HG2 H 1.902 0.003 2 284 23 26 GLU HG3 H 1.902 0.003 2 285 23 26 GLU C C 174.496 . 1 286 23 26 GLU CA C 55.135 0.05 1 287 23 26 GLU CG C 35.742 0.024 1 288 23 26 GLU N N 120.076 0.024 1 289 24 27 PHE H H 8.765 0.003 1 290 24 27 PHE HA H 5.281 0.004 1 291 24 27 PHE HB2 H 2.687 0.008 2 292 24 27 PHE HB3 H 2.687 0.008 2 293 24 27 PHE HD1 H 6.888 0.004 1 294 24 27 PHE HD2 H 6.888 0.004 1 295 24 27 PHE HE1 H 6.818 0.003 1 296 24 27 PHE HE2 H 6.818 0.003 1 297 24 27 PHE HZ H 6.770 0.003 1 298 24 27 PHE C C 174.489 . 1 299 24 27 PHE CA C 55.216 0.046 1 300 24 27 PHE CB C 43.006 0.045 1 301 24 27 PHE CD1 C 131.722 0.078 1 302 24 27 PHE CD2 C 131.722 0.078 1 303 24 27 PHE CE1 C 130.898 0.03 1 304 24 27 PHE CE2 C 130.898 0.03 1 305 24 27 PHE CZ C 127.933 0.065 1 306 24 27 PHE N N 120.968 0.027 1 307 25 28 GLU H H 9.416 0.003 1 308 25 28 GLU HA H 4.849 0.0 1 309 25 28 GLU HB2 H 2.086 0.0 2 310 25 28 GLU HB3 H 2.086 0.0 2 311 25 28 GLU HG2 H 1.894 0.009 2 312 25 28 GLU HG3 H 1.683 0.01 2 313 25 28 GLU C C 175.557 . 1 314 25 28 GLU CA C 55.418 0.0 1 315 25 28 GLU CB C 32.471 . 1 316 25 28 GLU CG C 37.221 0.047 1 317 25 28 GLU N N 123.217 0.016 1 318 26 29 ILE H H 8.884 0.003 1 319 26 29 ILE HA H 4.384 0.004 1 320 26 29 ILE HB H 0.509 0.009 1 321 26 29 ILE HG12 H 0.605 0.0 2 322 26 29 ILE HG13 H 1.042 0.004 2 323 26 29 ILE HG2 H 0.435 0.002 1 324 26 29 ILE HD1 H 0.182 0.003 1 325 26 29 ILE C C 173.665 . 1 326 26 29 ILE CA C 61.471 0.045 1 327 26 29 ILE CB C 39.116 0.011 1 328 26 29 ILE CG1 C 28.185 0.031 1 329 26 29 ILE CG2 C 17.895 0.027 1 330 26 29 ILE CD1 C 14.310 0.018 1 331 26 29 ILE N N 133.355 0.011 1 332 27 30 THR H H 8.835 0.003 1 333 27 30 THR HA H 5.435 0.006 1 334 27 30 THR HB H 3.859 0.007 1 335 27 30 THR HG2 H 1.123 0.002 1 336 27 30 THR C C 174.734 . 1 337 27 30 THR CA C 61.324 0.063 1 338 27 30 THR CB C 69.687 0.054 1 339 27 30 THR CG2 C 21.536 0.018 1 340 27 30 THR N N 121.745 0.019 1 341 28 31 PHE H H 9.712 0.004 1 342 28 31 PHE HA H 5.508 0.013 1 343 28 31 PHE HB2 H 3.416 . 2 344 28 31 PHE HB3 H 3.047 0.0 2 345 28 31 PHE HD1 H 7.156 0.004 1 346 28 31 PHE HD2 H 7.156 0.004 1 347 28 31 PHE HE1 H 7.245 0.007 1 348 28 31 PHE HE2 H 7.245 0.007 1 349 28 31 PHE HZ H 7.327 0.003 1 350 28 31 PHE C C 170.328 . 1 351 28 31 PHE CA C 56.102 0.028 1 352 28 31 PHE CB C 42.110 0.012 1 353 28 31 PHE CE1 C 133.217 0.041 1 354 28 31 PHE CE2 C 133.217 0.041 1 355 28 31 PHE CZ C 130.062 0.073 1 356 28 31 PHE N N 124.185 0.022 1 357 29 32 GLU H H 9.605 0.004 1 358 29 32 GLU HA H 5.277 0.006 1 359 29 32 GLU HB2 H 1.910 0.011 2 360 29 32 GLU HB3 H 2.024 0.011 2 361 29 32 GLU HG2 H 1.999 0.002 2 362 29 32 GLU HG3 H 1.999 0.002 2 363 29 32 GLU C C 174.731 . 1 364 29 32 GLU CA C 53.876 0.041 1 365 29 32 GLU CB C 33.167 0.058 1 366 29 32 GLU CG C 36.231 0.021 1 367 29 32 GLU N N 121.967 0.017 1 368 30 33 CYS H H 9.066 0.004 1 369 30 33 CYS HA H 5.368 0.007 1 370 30 33 CYS HB2 H 2.439 0.004 2 371 30 33 CYS HB3 H 3.277 0.009 2 372 30 33 CYS HG H 1.751 . 1 373 30 33 CYS C C 175.696 . 1 374 30 33 CYS CA C 57.001 0.043 1 375 30 33 CYS CB C 28.907 0.053 1 376 30 33 CYS N N 125.795 0.02 1 377 31 34 LEU H H 9.169 0.004 1 378 31 34 LEU HA H 4.315 0.004 1 379 31 34 LEU HB2 H 1.666 0.013 2 380 31 34 LEU HB3 H 1.597 0.006 2 381 31 34 LEU HG H 1.615 0.004 1 382 31 34 LEU HD1 H 0.755 0.002 2 383 31 34 LEU HD2 H 0.810 0.001 2 384 31 34 LEU C C 176.271 . 1 385 31 34 LEU CA C 56.813 0.044 1 386 31 34 LEU CB C 43.481 0.052 1 387 31 34 LEU CG C 27.862 0.023 1 388 31 34 LEU CD1 C 22.527 0.032 2 389 31 34 LEU CD2 C 25.117 0.012 2 390 31 34 LEU N N 127.536 0.022 1 391 32 35 GLU H H 7.314 0.002 1 392 32 35 GLU HA H 4.406 0.003 1 393 32 35 GLU HB2 H 1.944 0.003 2 394 32 35 GLU HB3 H 1.611 0.003 2 395 32 35 GLU HG2 H 2.150 0.003 2 396 32 35 GLU HG3 H 2.053 0.002 2 397 32 35 GLU C C 173.075 . 1 398 32 35 GLU CA C 54.570 0.018 1 399 32 35 GLU CB C 33.790 0.035 1 400 32 35 GLU CG C 35.739 0.017 1 401 32 35 GLU N N 116.265 0.013 1 402 33 36 SER H H 8.308 0.002 1 403 33 36 SER HA H 4.237 0.002 1 404 33 36 SER HB2 H 3.783 0.004 2 405 33 36 SER HB3 H 3.852 0.003 2 406 33 36 SER C C 174.037 . 1 407 33 36 SER CA C 59.224 0.016 1 408 33 36 SER CB C 63.225 0.023 1 409 33 36 SER N N 115.225 0.008 1 410 34 37 LEU H H 8.343 0.001 1 411 34 37 LEU HA H 4.717 0.007 1 412 34 37 LEU HB2 H 2.078 0.005 2 413 34 37 LEU HB3 H 1.825 0.0 2 414 34 37 LEU HG H 1.632 0.007 1 415 34 37 LEU HD1 H 0.597 0.002 2 416 34 37 LEU HD2 H 0.690 0.005 2 417 34 37 LEU C C 178.583 . 1 418 34 37 LEU CA C 53.620 0.026 1 419 34 37 LEU CB C 44.135 0.046 1 420 34 37 LEU CG C 26.188 0.02 1 421 34 37 LEU CD1 C 22.769 0.023 2 422 34 37 LEU CD2 C 25.860 0.069 2 423 34 37 LEU N N 126.050 0.011 1 424 35 38 LYS H H 9.397 0.003 1 425 35 38 LYS HA H 4.077 0.002 1 426 35 38 LYS HB2 H 1.453 0.005 2 427 35 38 LYS HB3 H 1.400 0.005 2 428 35 38 LYS HG2 H 1.239 0.002 2 429 35 38 LYS HG3 H 1.342 0.001 2 430 35 38 LYS HD2 H 1.559 0.004 2 431 35 38 LYS HD3 H 1.545 0.013 2 432 35 38 LYS HE3 H 2.920 0.001 1 433 35 38 LYS C C 177.655 . 1 434 35 38 LYS CA C 58.514 0.07 1 435 35 38 LYS CB C 33.446 0.043 1 436 35 38 LYS CG C 25.549 0.031 1 437 35 38 LYS CD C 29.206 0.011 1 438 35 38 LYS CE C 42.124 0.023 1 439 35 38 LYS N N 122.719 0.03 1 440 36 39 HIS H H 8.473 0.002 1 441 36 39 HIS HA H 5.110 0.002 1 442 36 39 HIS HB2 H 3.256 0.001 2 443 36 39 HIS HB3 H 2.824 0.002 2 444 36 39 HIS HD2 H 7.050 0.004 1 445 36 39 HIS C C 173.731 . 1 446 36 39 HIS CA C 53.359 0.024 1 447 36 39 HIS CB C 30.696 0.078 1 448 36 39 HIS CD2 C 119.465 0.081 1 449 36 39 HIS N N 115.998 0.015 1 450 37 40 ASP H H 8.053 0.006 1 451 37 40 ASP HA H 4.912 0.003 1 452 37 40 ASP HB2 H 2.341 0.006 2 453 37 40 ASP HB3 H 2.561 0.007 2 454 37 40 ASP C C 176.552 . 1 455 37 40 ASP CA C 54.737 0.078 1 456 37 40 ASP CB C 42.755 0.056 1 457 37 40 ASP N N 118.356 0.02 1 458 38 41 LEU H H 8.611 0.002 1 459 38 41 LEU HA H 4.932 0.0 1 460 38 41 LEU HB2 H 1.745 0.01 2 461 38 41 LEU HB3 H 1.082 0.0 2 462 38 41 LEU HG H 1.996 0.001 1 463 38 41 LEU HD1 H 0.820 0.002 2 464 38 41 LEU HD2 H 1.203 0.001 2 465 38 41 LEU C C 175.437 . 1 466 38 41 LEU CA C 53.938 . 1 467 38 41 LEU CB C 44.713 0.021 1 468 38 41 LEU CG C 26.665 0.0 1 469 38 41 LEU CD1 C 27.719 0.027 2 470 38 41 LEU CD2 C 23.456 0.029 2 471 38 41 LEU N N 116.457 0.019 1 472 39 42 GLU H H 8.311 0.001 1 473 39 42 GLU HA H 5.294 0.007 1 474 39 42 GLU HB2 H 1.942 0.0 2 475 39 42 GLU HB3 H 1.636 0.0 2 476 39 42 GLU HG2 H 1.844 0.008 2 477 39 42 GLU HG3 H 2.039 0.001 2 478 39 42 GLU C C 175.217 . 1 479 39 42 GLU CA C 54.427 0.041 1 480 39 42 GLU CB C 32.195 0.01 1 481 39 42 GLU CG C 36.304 0.061 1 482 39 42 GLU N N 122.621 0.015 1 483 40 43 TRP H H 9.351 0.003 1 484 40 43 TRP HA H 5.511 0.009 1 485 40 43 TRP HB2 H 3.052 0.0 2 486 40 43 TRP HB3 H 2.854 0.0 2 487 40 43 TRP HD1 H 6.686 0.002 1 488 40 43 TRP HE1 H 7.217 0.003 1 489 40 43 TRP HE3 H 7.364 . 1 490 40 43 TRP HZ2 H 6.448 0.004 1 491 40 43 TRP HZ3 H 6.683 . 1 492 40 43 TRP HH2 H 6.821 0.005 1 493 40 43 TRP C C 174.600 . 1 494 40 43 TRP CA C 55.250 0.055 1 495 40 43 TRP CB C 29.889 . 1 496 40 43 TRP CD1 C 125.806 0.03 1 497 40 43 TRP CZ2 C 114.099 0.062 1 498 40 43 TRP CH2 C 124.530 0.025 1 499 40 43 TRP N N 129.583 0.018 1 500 40 43 TRP NE1 N 123.871 0.059 1 501 41 44 LYS H H 9.162 0.004 1 502 41 44 LYS HA H 5.417 0.007 1 503 41 44 LYS HB2 H 1.704 0.004 2 504 41 44 LYS HB3 H 1.704 0.004 2 505 41 44 LYS HG2 H 1.349 0.003 2 506 41 44 LYS HG3 H 1.437 0.002 2 507 41 44 LYS HD2 H 1.477 0.006 2 508 41 44 LYS HD3 H 1.477 0.006 2 509 41 44 LYS HE2 H 2.735 0.003 2 510 41 44 LYS HE3 H 2.735 0.003 2 511 41 44 LYS C C 174.113 . 1 512 41 44 LYS CA C 55.314 0.04 1 513 41 44 LYS CB C 37.102 0.03 1 514 41 44 LYS CG C 24.518 0.015 1 515 41 44 LYS CD C 29.507 0.037 1 516 41 44 LYS CE C 41.582 0.039 1 517 41 44 LYS N N 122.195 0.023 1 518 42 45 LEU H H 8.338 0.004 1 519 42 45 LEU HA H 5.530 0.002 1 520 42 45 LEU HB2 H 1.680 0.015 2 521 42 45 LEU HB3 H 1.162 0.011 2 522 42 45 LEU HG H 1.193 0.001 1 523 42 45 LEU HD1 H 0.581 0.001 2 524 42 45 LEU HD2 H 0.351 0.003 2 525 42 45 LEU C C 175.169 . 1 526 42 45 LEU CA C 53.150 0.054 1 527 42 45 LEU CB C 46.180 0.032 1 528 42 45 LEU CG C 27.341 0.001 1 529 42 45 LEU CD1 C 24.241 0.045 2 530 42 45 LEU CD2 C 27.340 0.043 2 531 42 45 LEU N N 124.762 0.028 1 532 43 46 THR H H 9.310 0.004 1 533 43 46 THR HA H 4.869 0.003 1 534 43 46 THR HB H 3.862 0.007 1 535 43 46 THR HG2 H 1.053 0.002 1 536 43 46 THR C C 172.120 . 1 537 43 46 THR CA C 62.043 0.055 1 538 43 46 THR CB C 71.410 0.027 1 539 43 46 THR CG2 C 21.424 0.024 1 540 43 46 THR N N 123.513 0.014 1 541 44 47 TYR H H 9.328 0.004 1 542 44 47 TYR HA H 4.679 . 1 543 44 47 TYR HB2 H 2.785 0.0 2 544 44 47 TYR HB3 H 3.119 . 2 545 44 47 TYR HD1 H 6.998 0.005 1 546 44 47 TYR HD2 H 6.998 0.005 1 547 44 47 TYR HE1 H 6.894 0.008 1 548 44 47 TYR HE2 H 6.894 0.008 1 549 44 47 TYR C C 173.641 . 1 550 44 47 TYR CD1 C 133.173 0.117 1 551 44 47 TYR CD2 C 133.173 0.117 1 552 44 47 TYR CE1 C 118.224 0.033 1 553 44 47 TYR CE2 C 118.224 0.033 1 554 44 47 TYR N N 128.152 0.04 1 555 45 48 VAL H H 8.171 0.004 1 556 45 48 VAL HA H 4.194 0.013 1 557 45 48 VAL HB H 1.913 0.014 1 558 45 48 VAL HG1 H 0.875 0.002 2 559 45 48 VAL HG2 H 0.690 0.002 2 560 45 48 VAL CA C 61.927 0.033 1 561 45 48 VAL CB C 32.126 0.03 1 562 45 48 VAL CG1 C 21.057 0.025 2 563 45 48 VAL CG2 C 20.984 0.039 2 564 45 48 VAL N N 129.372 0.03 1 565 46 49 GLY HA2 H 3.983 0.0 2 566 46 49 GLY HA3 H 3.983 0.0 2 567 46 49 GLY C C 173.604 . 1 568 46 49 GLY CA C 45.476 0.0 1 569 47 50 SER H H 8.202 0.004 1 570 47 50 SER HA H 4.672 0.003 1 571 47 50 SER HB2 H 3.994 0.004 2 572 47 50 SER HB3 H 3.897 0.006 2 573 47 50 SER C C 174.810 . 1 574 47 50 SER CA C 57.849 0.058 1 575 47 50 SER CB C 64.534 0.058 1 576 47 50 SER N N 113.660 0.032 1 577 48 51 SER H H 8.702 0.003 1 578 48 51 SER HA H 4.420 0.003 1 579 48 51 SER HB2 H 4.041 0.0 2 580 48 51 SER HB3 H 3.882 0.0 2 581 48 51 SER C C 174.907 . 1 582 48 51 SER CA C 59.289 0.044 1 583 48 51 SER CB C 63.666 0.007 1 584 48 51 SER N N 117.963 0.014 1 585 49 52 ARG H H 8.371 0.002 1 586 49 52 ARG HA H 4.371 0.003 1 587 49 52 ARG HB2 H 1.944 0.002 2 588 49 52 ARG HB3 H 1.769 0.001 2 589 49 52 ARG HG2 H 1.680 0.001 2 590 49 52 ARG HG3 H 1.628 0.006 2 591 49 52 ARG HD2 H 3.208 0.002 2 592 49 52 ARG HD3 H 3.208 0.002 2 593 49 52 ARG HE H 7.280 0.001 1 594 49 52 ARG C C 176.246 . 1 595 49 52 ARG CA C 56.615 0.057 1 596 49 52 ARG CB C 30.613 0.012 1 597 49 52 ARG CG C 27.230 0.034 1 598 49 52 ARG CD C 43.272 0.028 1 599 49 52 ARG N N 120.987 0.031 1 600 49 52 ARG NE N 84.689 0.012 1 601 50 53 SER H H 7.934 0.001 1 602 50 53 SER HA H 4.481 0.003 1 603 50 53 SER HB2 H 3.900 0.003 2 604 50 53 SER HB3 H 3.817 0.002 2 605 50 53 SER C C 174.195 . 1 606 50 53 SER CA C 58.222 0.022 1 607 50 53 SER CB C 63.965 0.041 1 608 50 53 SER N N 114.390 0.008 1 609 51 54 LEU H H 8.277 0.001 1 610 51 54 LEU HA H 4.362 0.004 1 611 51 54 LEU HB2 H 1.656 0.007 2 612 51 54 LEU HB3 H 1.623 0.014 2 613 51 54 LEU HG H 1.598 0.008 1 614 51 54 LEU HD1 H 0.901 0.002 2 615 51 54 LEU HD2 H 0.858 0.001 2 616 51 54 LEU C C 176.975 . 1 617 51 54 LEU CA C 55.419 0.032 1 618 51 54 LEU CB C 41.605 0.016 1 619 51 54 LEU CG C 27.079 0.016 1 620 51 54 LEU CD1 C 25.182 0.03 2 621 51 54 LEU CD2 C 23.518 0.014 2 622 51 54 LEU N N 122.357 0.009 1 623 52 55 ASP H H 8.169 0.007 1 624 52 55 ASP HA H 4.568 0.002 1 625 52 55 ASP HB2 H 2.564 0.003 2 626 52 55 ASP HB3 H 2.623 0.01 2 627 52 55 ASP C C 175.812 . 1 628 52 55 ASP CA C 54.438 0.042 1 629 52 55 ASP CB C 41.054 0.075 1 630 52 55 ASP N N 118.529 0.038 1 631 53 56 HIS H H 8.345 0.003 1 632 53 56 HIS HA H 4.855 0.0 1 633 53 56 HIS HB2 H 3.406 0.004 2 634 53 56 HIS HB3 H 3.172 0.001 2 635 53 56 HIS HD2 H 7.284 0.003 1 636 53 56 HIS HE1 H 8.496 0.0 1 637 53 56 HIS C C 174.197 . 1 638 53 56 HIS CA C 55.241 . 1 639 53 56 HIS CB C 29.112 0.059 1 640 53 56 HIS CD2 C 120.578 0.044 1 641 53 56 HIS CE1 C 136.838 . 1 642 53 56 HIS N N 117.060 0.021 1 643 54 57 ASP H H 8.481 0.005 1 644 54 57 ASP HA H 5.084 0.004 1 645 54 57 ASP HB2 H 2.515 0.007 2 646 54 57 ASP HB3 H 2.594 0.005 2 647 54 57 ASP C C 176.279 . 1 648 54 57 ASP CA C 54.141 0.071 1 649 54 57 ASP CB C 41.105 0.041 1 650 54 57 ASP N N 122.093 0.019 1 651 55 58 GLN H H 8.948 0.003 1 652 55 58 GLN HA H 4.717 0.003 1 653 55 58 GLN HB2 H 2.038 0.003 2 654 55 58 GLN HB3 H 2.158 0.002 2 655 55 58 GLN HG2 H 2.392 0.004 2 656 55 58 GLN HG3 H 2.392 0.004 2 657 55 58 GLN HE21 H 7.893 0.002 1 658 55 58 GLN HE22 H 6.717 0.002 1 659 55 58 GLN C C 174.641 . 1 660 55 58 GLN CA C 54.689 0.047 1 661 55 58 GLN CB C 31.985 0.037 1 662 55 58 GLN CG C 33.706 0.05 1 663 55 58 GLN N N 119.240 0.011 1 664 55 58 GLN NE2 N 111.982 0.021 1 665 56 59 GLU H H 9.059 0.001 1 666 56 59 GLU HA H 4.381 0.012 1 667 56 59 GLU HB2 H 2.053 0.007 2 668 56 59 GLU HB3 H 2.041 0.014 2 669 56 59 GLU HG2 H 2.063 0.005 2 670 56 59 GLU HG3 H 2.176 0.004 2 671 56 59 GLU C C 176.145 . 1 672 56 59 GLU CA C 57.391 0.021 1 673 56 59 GLU CB C 29.716 0.055 1 674 56 59 GLU CG C 36.759 0.041 1 675 56 59 GLU N N 127.616 0.014 1 676 57 60 LEU H H 9.269 0.01 1 677 57 60 LEU HA H 4.442 0.004 1 678 57 60 LEU HB2 H 1.963 0.0 2 679 57 60 LEU HB3 H 1.565 . 2 680 57 60 LEU HG H 1.733 0.0 1 681 57 60 LEU HD1 H 0.695 0.002 2 682 57 60 LEU HD2 H 0.790 0.004 2 683 57 60 LEU C C 177.206 . 1 684 57 60 LEU CA C 55.997 0.047 1 685 57 60 LEU CB C 40.761 0.0 1 686 57 60 LEU CG C 26.784 0.0 1 687 57 60 LEU CD1 C 22.130 0.064 2 688 57 60 LEU CD2 C 25.904 0.041 2 689 57 60 LEU N N 128.707 0.023 1 690 58 61 ASP H H 7.689 0.004 1 691 58 61 ASP HA H 4.885 0.005 1 692 58 61 ASP HB2 H 2.671 0.014 2 693 58 61 ASP HB3 H 2.738 0.008 2 694 58 61 ASP C C 175.015 . 1 695 58 61 ASP CA C 54.492 0.068 1 696 58 61 ASP CB C 46.222 0.04 1 697 58 61 ASP N N 114.657 0.019 1 698 59 62 SER H H 8.990 0.002 1 699 59 62 SER HA H 5.690 0.013 1 700 59 62 SER HB2 H 3.805 0.009 2 701 59 62 SER HB3 H 3.777 0.003 2 702 59 62 SER C C 173.154 . 1 703 59 62 SER CA C 57.918 0.044 1 704 59 62 SER CB C 65.994 0.025 1 705 59 62 SER N N 113.695 0.012 1 706 60 63 ILE H H 9.335 0.005 1 707 60 63 ILE HA H 4.994 0.007 1 708 60 63 ILE HB H 1.688 0.004 1 709 60 63 ILE HG12 H 1.101 0.003 2 710 60 63 ILE HG13 H 0.528 0.005 2 711 60 63 ILE HG2 H 0.820 0.002 1 712 60 63 ILE HD1 H 0.406 0.002 1 713 60 63 ILE C C 174.128 . 1 714 60 63 ILE CA C 58.729 0.053 1 715 60 63 ILE CB C 43.006 0.078 1 716 60 63 ILE CG1 C 27.173 0.044 1 717 60 63 ILE CG2 C 19.526 0.035 1 718 60 63 ILE CD1 C 14.862 0.021 1 719 60 63 ILE N N 119.483 0.024 1 720 61 64 LEU H H 9.102 0.004 1 721 61 64 LEU HA H 5.528 0.005 1 722 61 64 LEU HB2 H 1.645 0.007 2 723 61 64 LEU HB3 H 1.319 0.011 2 724 61 64 LEU HG H 1.577 0.002 1 725 61 64 LEU HD1 H 0.904 0.002 2 726 61 64 LEU HD2 H 0.878 0.001 2 727 61 64 LEU C C 177.256 . 1 728 61 64 LEU CA C 53.229 0.052 1 729 61 64 LEU CB C 44.616 0.034 1 730 61 64 LEU CG C 27.519 0.028 1 731 61 64 LEU CD1 C 25.466 0.034 2 732 61 64 LEU CD2 C 23.552 0.018 2 733 61 64 LEU N N 123.248 0.023 1 734 62 65 VAL H H 8.720 0.004 1 735 62 65 VAL HA H 4.518 0.006 1 736 62 65 VAL HB H 1.752 0.005 1 737 62 65 VAL HG1 H 0.344 0.002 2 738 62 65 VAL HG2 H 0.412 0.002 2 739 62 65 VAL C C 173.822 . 1 740 62 65 VAL CA C 59.875 0.043 1 741 62 65 VAL CB C 35.304 0.051 1 742 62 65 VAL CG1 C 21.569 0.023 2 743 62 65 VAL CG2 C 20.385 0.023 2 744 62 65 VAL N N 115.051 0.028 1 745 63 66 GLY H H 8.520 0.004 1 746 63 66 GLY HA2 H 4.897 0.008 2 747 63 66 GLY HA3 H 3.546 0.006 2 748 63 66 GLY CA C 44.908 0.047 1 749 63 66 GLY N N 111.357 0.039 1 750 64 67 PRO HA H 4.664 0.004 1 751 64 67 PRO HB2 H 2.470 0.005 2 752 64 67 PRO HB3 H 2.028 0.002 2 753 64 67 PRO HG2 H 1.962 0.003 2 754 64 67 PRO HG3 H 1.962 0.003 2 755 64 67 PRO HD2 H 3.696 0.004 2 756 64 67 PRO HD3 H 3.663 0.007 2 757 64 67 PRO C C 176.966 . 1 758 64 67 PRO CA C 61.940 0.063 1 759 64 67 PRO CB C 34.088 0.019 1 760 64 67 PRO CG C 25.438 0.029 1 761 64 67 PRO CD C 50.669 0.022 1 762 65 68 VAL H H 9.202 0.003 1 763 65 68 VAL HA H 4.354 0.008 1 764 65 68 VAL HB H 2.418 0.004 1 765 65 68 VAL HG1 H 1.236 0.001 2 766 65 68 VAL HG2 H 1.259 0.001 2 767 65 68 VAL CA C 60.681 0.035 1 768 65 68 VAL CB C 33.269 0.059 1 769 65 68 VAL CG1 C 22.682 0.03 2 770 65 68 VAL CG2 C 24.192 0.032 2 771 65 68 VAL N N 125.999 0.015 1 772 66 69 PRO HA H 4.656 0.002 1 773 66 69 PRO HB2 H 2.238 0.003 2 774 66 69 PRO HB3 H 1.994 0.003 2 775 66 69 PRO HG2 H 2.112 0.002 2 776 66 69 PRO HG3 H 1.957 0.004 2 777 66 69 PRO HD2 H 3.874 0.006 2 778 66 69 PRO HD3 H 4.191 0.007 2 779 66 69 PRO C C 175.852 . 1 780 66 69 PRO CA C 61.910 0.029 1 781 66 69 PRO CB C 32.172 0.036 1 782 66 69 PRO CG C 26.865 0.03 1 783 66 69 PRO CD C 51.177 0.015 1 784 67 70 VAL H H 7.938 0.002 1 785 67 70 VAL HA H 3.595 0.004 1 786 67 70 VAL HB H 1.859 0.002 1 787 67 70 VAL HG1 H 0.849 0.002 2 788 67 70 VAL HG2 H 0.824 0.006 2 789 67 70 VAL C C 176.249 . 1 790 67 70 VAL CA C 63.608 0.045 1 791 67 70 VAL CB C 31.830 0.017 1 792 67 70 VAL CG1 C 20.876 0.025 2 793 67 70 VAL CG2 C 21.999 0.066 2 794 67 70 VAL N N 119.139 0.015 1 795 68 71 GLY H H 8.805 0.002 1 796 68 71 GLY HA2 H 4.557 0.006 2 797 68 71 GLY HA3 H 3.850 0.004 2 798 68 71 GLY C C 172.589 . 1 799 68 71 GLY CA C 43.590 0.038 1 800 68 71 GLY N N 115.558 0.016 1 801 69 72 VAL H H 8.599 0.002 1 802 69 72 VAL HA H 4.274 0.006 1 803 69 72 VAL HB H 1.952 0.006 1 804 69 72 VAL HG1 H 0.872 0.004 2 805 69 72 VAL HG2 H 0.723 0.006 2 806 69 72 VAL C C 174.437 . 1 807 69 72 VAL CA C 63.195 0.023 1 808 69 72 VAL CB C 31.470 0.038 1 809 69 72 VAL CG1 C 21.867 0.048 2 810 69 72 VAL CG2 C 22.434 0.057 2 811 69 72 VAL N N 122.375 0.015 1 812 70 73 ASN H H 9.006 0.004 1 813 70 73 ASN HA H 5.561 0.007 1 814 70 73 ASN HB2 H 1.956 0.012 2 815 70 73 ASN HB3 H 0.922 0.005 2 816 70 73 ASN HD21 H 6.760 0.005 1 817 70 73 ASN HD22 H 4.949 . 1 818 70 73 ASN C C 172.861 . 1 819 70 73 ASN CA C 51.966 0.052 1 820 70 73 ASN CB C 45.026 0.053 1 821 70 73 ASN N N 126.314 0.023 1 822 70 73 ASN ND2 N 109.482 0.023 1 823 71 74 LYS H H 8.811 0.004 1 824 71 74 LYS HA H 5.880 0.004 1 825 71 74 LYS HB2 H 1.553 0.004 2 826 71 74 LYS HB3 H 1.640 0.003 2 827 71 74 LYS HG2 H 1.222 0.005 2 828 71 74 LYS HG3 H 1.288 0.003 2 829 71 74 LYS HD2 H 1.467 0.003 2 830 71 74 LYS HD3 H 1.435 0.003 2 831 71 74 LYS HE2 H 2.726 0.002 2 832 71 74 LYS HE3 H 2.726 0.002 2 833 71 74 LYS C C 174.307 . 1 834 71 74 LYS CA C 54.373 0.031 1 835 71 74 LYS CB C 37.849 0.032 1 836 71 74 LYS CG C 24.425 0.042 1 837 71 74 LYS CD C 29.827 0.06 1 838 71 74 LYS CE C 41.831 0.057 1 839 71 74 LYS N N 118.989 0.02 1 840 72 75 PHE H H 8.519 0.003 1 841 72 75 PHE HA H 5.074 0.003 1 842 72 75 PHE HB2 H 2.881 0.0 2 843 72 75 PHE HB3 H 3.355 0.0 2 844 72 75 PHE HD1 H 6.873 0.004 1 845 72 75 PHE HD2 H 6.873 0.004 1 846 72 75 PHE HE1 H 6.868 0.002 1 847 72 75 PHE HE2 H 6.868 0.002 1 848 72 75 PHE HZ H 6.544 0.007 1 849 72 75 PHE C C 171.628 . 1 850 72 75 PHE CA C 56.344 0.031 1 851 72 75 PHE CB C 41.927 0.039 1 852 72 75 PHE CD1 C 131.511 0.13 1 853 72 75 PHE CD2 C 131.511 0.13 1 854 72 75 PHE CE1 C 131.255 0.005 1 855 72 75 PHE CE2 C 131.255 0.005 1 856 72 75 PHE CZ C 129.738 0.122 1 857 72 75 PHE N N 116.572 0.014 1 858 73 76 VAL H H 8.742 0.004 1 859 73 76 VAL HA H 4.820 0.0 1 860 73 76 VAL HB H 1.939 0.007 1 861 73 76 VAL HG1 H 0.883 0.003 2 862 73 76 VAL HG2 H 0.749 0.002 2 863 73 76 VAL C C 175.143 . 1 864 73 76 VAL CA C 61.118 0.0 1 865 73 76 VAL CB C 33.324 0.022 1 866 73 76 VAL CG1 C 21.644 0.022 2 867 73 76 VAL CG2 C 20.555 0.021 2 868 73 76 VAL N N 119.945 0.016 1 869 74 77 PHE H H 9.220 0.006 1 870 74 77 PHE HA H 4.965 . 1 871 74 77 PHE HB2 H 2.817 0.009 2 872 74 77 PHE HB3 H 3.331 . 2 873 74 77 PHE HD1 H 7.046 0.008 1 874 74 77 PHE HD2 H 7.046 0.008 1 875 74 77 PHE HE1 H 7.108 0.003 1 876 74 77 PHE HE2 H 7.108 0.003 1 877 74 77 PHE HZ H 7.057 0.008 1 878 74 77 PHE C C 173.345 . 1 879 74 77 PHE CB C 40.869 0.0 1 880 74 77 PHE CD1 C 130.126 0.087 1 881 74 77 PHE CD2 C 130.126 0.087 1 882 74 77 PHE CE1 C 131.252 0.05 1 883 74 77 PHE CE2 C 131.252 0.05 1 884 74 77 PHE CZ C 128.957 0.074 1 885 74 77 PHE N N 129.576 0.018 1 886 75 78 SER H H 8.572 0.003 1 887 75 78 SER HA H 5.547 0.005 1 888 75 78 SER HB2 H 3.765 0.001 2 889 75 78 SER HB3 H 3.637 0.002 2 890 75 78 SER C C 173.186 . 1 891 75 78 SER CA C 56.024 0.009 1 892 75 78 SER CB C 63.796 0.019 1 893 75 78 SER N N 122.805 0.015 1 894 76 79 ALA H H 8.876 0.004 1 895 76 79 ALA HA H 4.980 0.003 1 896 76 79 ALA HB H 1.161 0.003 1 897 76 79 ALA C C 175.597 . 1 898 76 79 ALA CA C 49.722 0.022 1 899 76 79 ALA CB C 24.060 0.035 1 900 76 79 ALA N N 128.020 0.027 1 901 77 80 ASP H H 8.950 0.002 1 902 77 80 ASP HA H 4.684 0.007 1 903 77 80 ASP HB2 H 2.565 . 2 904 77 80 ASP HB3 H 2.729 0.0 2 905 77 80 ASP CA C 53.206 0.035 1 906 77 80 ASP CB C 40.184 0.0 1 907 77 80 ASP N N 122.927 0.011 1 908 78 81 PRO HA H 4.664 0.003 1 909 78 81 PRO HG2 H 1.665 0.0 2 910 78 81 PRO HG3 H 1.900 0.0 2 911 78 81 PRO HD2 H 3.312 0.002 2 912 78 81 PRO HD3 H 3.549 0.0 2 913 78 81 PRO CA C 60.930 0.016 1 914 78 81 PRO CG C 26.594 0.011 1 915 78 81 PRO CD C 49.940 0.019 1 916 79 82 PRO HA H 4.175 0.013 1 917 79 82 PRO HB2 H 1.538 0.008 2 918 79 82 PRO HB3 H 1.405 0.008 2 919 79 82 PRO HG2 H 1.224 . 2 920 79 82 PRO HG3 H 1.131 0.001 2 921 79 82 PRO HD2 H 3.197 0.014 2 922 79 82 PRO HD3 H 3.439 0.0 2 923 79 82 PRO C C 175.455 . 1 924 79 82 PRO CA C 61.946 0.049 1 925 79 82 PRO CB C 31.751 0.026 1 926 79 82 PRO CG C 26.845 0.074 1 927 79 82 PRO CD C 50.175 0.046 1 928 80 83 SER H H 8.394 0.007 1 929 80 83 SER HA H 4.525 0.003 1 930 80 83 SER HB2 H 3.989 0.002 2 931 80 83 SER HB3 H 3.836 0.003 2 932 80 83 SER CA C 57.292 0.037 1 933 80 83 SER CB C 63.726 0.027 1 934 80 83 SER N N 113.762 0.024 1 935 81 84 ALA H H 9.063 0.003 1 936 81 84 ALA HA H 3.988 0.005 1 937 81 84 ALA HB H 1.385 0.001 1 938 81 84 ALA C C 178.500 . 1 939 81 84 ALA CA C 54.609 0.024 1 940 81 84 ALA CB C 18.891 0.023 1 941 81 84 ALA N N 129.194 0.027 1 942 82 85 GLU H H 8.454 0.004 1 943 82 85 GLU HA H 4.141 0.003 1 944 82 85 GLU HB2 H 1.945 0.003 2 945 82 85 GLU HB3 H 2.076 0.016 2 946 82 85 GLU HG2 H 2.294 0.002 2 947 82 85 GLU HG3 H 2.295 0.002 2 948 82 85 GLU C C 177.232 . 1 949 82 85 GLU CA C 58.115 0.051 1 950 82 85 GLU CB C 29.247 0.032 1 951 82 85 GLU CG C 36.331 0.027 1 952 82 85 GLU N N 114.827 0.017 1 953 83 86 LEU H H 7.362 0.002 1 954 83 86 LEU HA H 4.413 0.002 1 955 83 86 LEU HB2 H 1.766 0.006 2 956 83 86 LEU HB3 H 1.693 0.002 2 957 83 86 LEU HG H 1.571 0.001 1 958 83 86 LEU HD1 H 0.919 0.002 2 959 83 86 LEU HD2 H 0.834 0.027 2 960 83 86 LEU CA C 54.605 0.027 1 961 83 86 LEU CB C 42.763 0.04 1 962 83 86 LEU CG C 27.127 0.026 1 963 83 86 LEU CD1 C 25.251 0.013 2 964 83 86 LEU CD2 C 22.580 0.061 2 965 83 86 LEU N N 117.039 0.015 1 966 84 87 ILE H H 7.277 0.003 1 967 84 87 ILE HA H 4.546 0.004 1 968 84 87 ILE HB H 1.920 0.007 1 969 84 87 ILE HG12 H 1.122 0.002 2 970 84 87 ILE HG13 H 1.400 0.003 2 971 84 87 ILE HG2 H 1.024 0.002 1 972 84 87 ILE HD1 H 0.663 0.003 1 973 84 87 ILE CA C 58.456 0.054 1 974 84 87 ILE CB C 39.234 0.078 1 975 84 87 ILE CG1 C 26.676 0.074 1 976 84 87 ILE CG2 C 17.241 0.016 1 977 84 87 ILE CD1 C 13.319 0.031 1 978 84 87 ILE N N 119.950 0.035 1 979 85 88 PRO HA H 4.347 0.012 1 980 85 88 PRO HB2 H 2.404 0.0 2 981 85 88 PRO HB3 H 1.920 0.002 2 982 85 88 PRO HG2 H 1.970 0.0 2 983 85 88 PRO HG3 H 1.819 0.005 2 984 85 88 PRO HD2 H 3.803 . 2 985 85 88 PRO HD3 H 3.620 . 2 986 85 88 PRO C C 177.665 . 1 987 85 88 PRO CA C 63.194 0.051 1 988 85 88 PRO CB C 32.129 0.041 1 989 85 88 PRO CG C 27.843 0.027 1 990 86 89 ALA H H 8.612 0.002 1 991 86 89 ALA HA H 4.088 0.004 1 992 86 89 ALA HB H 1.492 0.002 1 993 86 89 ALA C C 179.638 . 1 994 86 89 ALA CA C 54.958 0.023 1 995 86 89 ALA CB C 18.896 0.03 1 996 86 89 ALA N N 125.730 0.017 1 997 87 90 SER H H 8.247 0.003 1 998 87 90 SER HA H 4.301 0.003 1 999 87 90 SER HB2 H 4.000 0.002 2 1000 87 90 SER HB3 H 3.901 0.002 2 1001 87 90 SER C C 175.337 . 1 1002 87 90 SER CA C 59.811 0.029 1 1003 87 90 SER CB C 63.074 0.017 1 1004 87 90 SER N N 109.680 0.016 1 1005 88 91 GLU H H 7.660 0.009 1 1006 88 91 GLU HA H 4.309 0.005 1 1007 88 91 GLU HB2 H 2.194 0.004 2 1008 88 91 GLU HB3 H 1.937 0.0 2 1009 88 91 GLU HG2 H 2.201 0.0 2 1010 88 91 GLU HG3 H 2.259 0.0 2 1011 88 91 GLU CA C 56.257 0.029 1 1012 88 91 GLU CB C 30.717 0.023 1 1013 88 91 GLU CG C 36.486 0.027 1 1014 88 91 GLU N N 119.939 0.075 1 1015 89 92 LEU HA H 4.022 0.007 1 1016 89 92 LEU HB2 H 1.497 0.01 2 1017 89 92 LEU HB3 H 1.387 0.005 2 1018 89 92 LEU HG H 1.318 0.007 1 1019 89 92 LEU HD1 H 0.358 0.003 2 1020 89 92 LEU HD2 H 0.592 0.003 2 1021 89 92 LEU CA C 56.988 0.041 1 1022 89 92 LEU CB C 42.474 0.021 1 1023 89 92 LEU CG C 27.396 0.046 1 1024 89 92 LEU CD1 C 24.812 0.016 2 1025 89 92 LEU CD2 C 25.659 0.041 2 1026 90 93 VAL HA H 4.115 0.0 1 1027 90 93 VAL HB H 2.147 0.006 1 1028 90 93 VAL HG1 H 0.695 0.001 2 1029 90 93 VAL HG2 H 0.722 0.002 2 1030 90 93 VAL CA C 61.051 0.001 1 1031 90 93 VAL CB C 30.238 0.013 1 1032 90 93 VAL CG1 C 22.380 0.047 2 1033 90 93 VAL CG2 C 20.137 0.012 2 1034 91 94 SER HB2 H 3.970 0.008 2 1035 91 94 SER HB3 H 3.970 0.008 2 1036 91 94 SER C C 173.624 . 1 1037 91 94 SER CB C 64.727 0.04 1 1038 92 95 VAL H H 8.061 0.005 1 1039 92 95 VAL HA H 5.273 0.004 1 1040 92 95 VAL HB H 2.033 0.005 1 1041 92 95 VAL HG1 H 1.074 0.001 2 1042 92 95 VAL HG2 H 1.032 0.006 2 1043 92 95 VAL C C 176.933 . 1 1044 92 95 VAL CA C 62.041 0.029 1 1045 92 95 VAL CB C 32.532 0.046 1 1046 92 95 VAL CG1 C 21.520 0.011 2 1047 92 95 VAL CG2 C 21.521 0.011 2 1048 92 95 VAL N N 121.163 0.023 1 1049 93 96 THR H H 9.201 0.003 1 1050 93 96 THR HA H 4.725 0.007 1 1051 93 96 THR HB H 4.389 0.006 1 1052 93 96 THR HG1 H 5.183 0.001 1 1053 93 96 THR HG2 H 1.271 0.004 1 1054 93 96 THR C C 172.038 . 1 1055 93 96 THR CA C 59.746 0.012 1 1056 93 96 THR CB C 71.127 0.022 1 1057 93 96 THR CG2 C 22.217 0.022 1 1058 93 96 THR N N 120.792 0.024 1 1059 94 97 VAL H H 8.021 0.006 1 1060 94 97 VAL HA H 5.265 0.003 1 1061 94 97 VAL HB H 1.648 0.0 1 1062 94 97 VAL HG1 H 0.606 0.002 2 1063 94 97 VAL HG2 H 0.706 0.001 2 1064 94 97 VAL C C 176.241 . 1 1065 94 97 VAL CA C 60.567 0.032 1 1066 94 97 VAL CB C 36.657 . 1 1067 94 97 VAL CG1 C 21.365 0.037 2 1068 94 97 VAL CG2 C 22.895 0.064 2 1069 94 97 VAL N N 118.724 0.025 1 1070 95 98 ILE H H 8.631 0.005 1 1071 95 98 ILE HA H 5.152 0.005 1 1072 95 98 ILE HB H 1.625 0.002 1 1073 95 98 ILE HG12 H 1.111 0.006 2 1074 95 98 ILE HG13 H 1.605 0.001 2 1075 95 98 ILE HG2 H 0.897 0.001 1 1076 95 98 ILE HD1 H 0.720 0.002 1 1077 95 98 ILE C C 173.661 . 1 1078 95 98 ILE CA C 58.568 0.047 1 1079 95 98 ILE CB C 41.807 0.037 1 1080 95 98 ILE CG1 C 26.764 0.036 1 1081 95 98 ILE CG2 C 18.322 0.016 1 1082 95 98 ILE CD1 C 14.127 0.02 1 1083 95 98 ILE N N 121.639 0.017 1 1084 96 99 LEU H H 8.805 0.005 1 1085 96 99 LEU HA H 5.282 0.006 1 1086 96 99 LEU HB2 H 1.157 0.008 2 1087 96 99 LEU HB3 H 1.568 0.003 2 1088 96 99 LEU HG H 1.350 0.003 1 1089 96 99 LEU HD1 H 0.702 0.002 2 1090 96 99 LEU HD2 H 0.672 0.001 2 1091 96 99 LEU C C 175.864 . 1 1092 96 99 LEU CA C 52.972 0.067 1 1093 96 99 LEU CB C 45.602 0.035 1 1094 96 99 LEU CG C 26.380 0.068 1 1095 96 99 LEU CD1 C 25.742 0.02 2 1096 96 99 LEU CD2 C 24.126 0.023 2 1097 96 99 LEU N N 121.695 0.026 1 1098 97 100 LEU H H 9.760 0.004 1 1099 97 100 LEU HA H 5.447 0.006 1 1100 97 100 LEU HB2 H 1.839 0.003 2 1101 97 100 LEU HB3 H 1.163 0.004 2 1102 97 100 LEU HG H 1.473 0.001 1 1103 97 100 LEU HD1 H 0.583 0.001 2 1104 97 100 LEU HD2 H 0.598 0.002 2 1105 97 100 LEU C C 174.984 . 1 1106 97 100 LEU CA C 53.509 0.037 1 1107 97 100 LEU CB C 44.676 0.027 1 1108 97 100 LEU CG C 27.943 0.034 1 1109 97 100 LEU CD1 C 24.212 0.038 2 1110 97 100 LEU CD2 C 25.809 0.02 2 1111 97 100 LEU N N 130.252 0.023 1 1112 98 101 SER H H 9.387 0.003 1 1113 98 101 SER HA H 5.405 0.003 1 1114 98 101 SER HB2 H 3.862 0.003 2 1115 98 101 SER HB3 H 3.545 0.004 2 1116 98 101 SER C C 172.850 . 1 1117 98 101 SER CA C 56.310 0.021 1 1118 98 101 SER CB C 67.052 0.048 1 1119 98 101 SER N N 119.894 0.026 1 1120 99 102 CYS H H 8.080 0.004 1 1121 99 102 CYS HA H 4.790 . 1 1122 99 102 CYS HB2 H 0.998 0.015 2 1123 99 102 CYS HB3 H 0.476 0.007 2 1124 99 102 CYS HG H -0.179 . 1 1125 99 102 CYS C C 172.026 . 1 1126 99 102 CYS CA C 56.977 0.0 1 1127 99 102 CYS CB C 29.285 0.031 1 1128 99 102 CYS N N 121.171 0.024 1 1129 100 103 SER H H 8.796 0.003 1 1130 100 103 SER HA H 5.300 0.005 1 1131 100 103 SER HB2 H 3.385 0.008 2 1132 100 103 SER HB3 H 3.239 0.006 2 1133 100 103 SER C C 171.446 . 1 1134 100 103 SER CA C 56.607 0.048 1 1135 100 103 SER CB C 66.674 0.019 1 1136 100 103 SER N N 122.810 0.016 1 1137 101 104 TYR H H 8.618 0.004 1 1138 101 104 TYR HA H 4.730 0.0 1 1139 101 104 TYR HB2 H 2.445 0.011 2 1140 101 104 TYR HB3 H 2.568 . 2 1141 101 104 TYR HD1 H 7.022 0.02 1 1142 101 104 TYR HD2 H 7.022 0.02 1 1143 101 104 TYR HE1 H 6.937 0.004 1 1144 101 104 TYR HE2 H 6.937 0.004 1 1145 101 104 TYR C C 174.731 . 1 1146 101 104 TYR CA C 57.135 0.0 1 1147 101 104 TYR CB C 41.500 0.0 1 1148 101 104 TYR CD1 C 133.449 0.046 1 1149 101 104 TYR CD2 C 133.449 0.046 1 1150 101 104 TYR CE1 C 117.514 0.099 1 1151 101 104 TYR CE2 C 117.514 0.099 1 1152 101 104 TYR N N 122.472 0.031 1 1153 102 105 ASP H H 8.889 0.003 1 1154 102 105 ASP HA H 3.765 0.003 1 1155 102 105 ASP HB2 H 2.762 0.004 2 1156 102 105 ASP HB3 H 1.400 0.004 2 1157 102 105 ASP C C 175.460 . 1 1158 102 105 ASP CA C 54.269 0.039 1 1159 102 105 ASP CB C 39.342 0.035 1 1160 102 105 ASP N N 129.284 0.03 1 1161 103 106 GLY H H 8.695 0.002 1 1162 103 106 GLY HA2 H 3.494 0.006 2 1163 103 106 GLY HA3 H 3.991 0.007 2 1164 103 106 GLY C C 174.589 . 1 1165 103 106 GLY CA C 44.864 0.019 1 1166 103 106 GLY N N 101.547 0.016 1 1167 104 107 ARG H H 7.748 0.003 1 1168 104 107 ARG HA H 4.477 0.011 1 1169 104 107 ARG HB2 H 2.236 . 2 1170 104 107 ARG HB3 H 1.609 . 2 1171 104 107 ARG HD2 H 3.223 . 2 1172 104 107 ARG HD3 H 3.390 . 2 1173 104 107 ARG HE H 7.334 0.002 1 1174 104 107 ARG C C 174.734 . 1 1175 104 107 ARG CA C 55.490 0.03 1 1176 104 107 ARG N N 121.296 0.017 1 1177 104 107 ARG NE N 81.282 0.047 1 1178 105 108 GLU H H 8.390 0.003 1 1179 105 108 GLU HA H 4.299 . 1 1180 105 108 GLU HB2 H 1.618 0.0 2 1181 105 108 GLU HB3 H 1.594 0.0 2 1182 105 108 GLU HG2 H 1.972 0.008 2 1183 105 108 GLU HG3 H 1.724 0.011 2 1184 105 108 GLU C C 175.475 . 1 1185 105 108 GLU CB C 30.563 0.003 1 1186 105 108 GLU CG C 36.162 0.038 1 1187 105 108 GLU N N 128.864 0.021 1 1188 106 109 PHE H H 8.424 0.006 1 1189 106 109 PHE HA H 5.625 0.006 1 1190 106 109 PHE HB2 H 2.652 0.0 2 1191 106 109 PHE HB3 H 3.748 0.0 2 1192 106 109 PHE HD1 H 7.260 0.006 1 1193 106 109 PHE HD2 H 7.260 0.006 1 1194 106 109 PHE HE1 H 7.029 0.005 1 1195 106 109 PHE HE2 H 7.029 0.005 1 1196 106 109 PHE HZ H 7.011 . 1 1197 106 109 PHE C C 175.480 . 1 1198 106 109 PHE CA C 56.450 0.05 1 1199 106 109 PHE CB C 40.848 0.015 1 1200 106 109 PHE CD1 C 133.146 0.056 1 1201 106 109 PHE CD2 C 133.146 0.056 1 1202 106 109 PHE CE1 C 130.932 0.045 1 1203 106 109 PHE CE2 C 130.932 0.045 1 1204 106 109 PHE N N 119.537 0.024 1 1205 107 110 VAL H H 7.242 0.004 1 1206 107 110 VAL HA H 5.110 0.009 1 1207 107 110 VAL HB H 2.232 0.007 1 1208 107 110 VAL HG1 H 0.308 0.002 2 1209 107 110 VAL HG2 H 0.939 0.003 2 1210 107 110 VAL C C 170.218 . 1 1211 107 110 VAL CA C 61.130 0.061 1 1212 107 110 VAL CB C 33.626 0.058 1 1213 107 110 VAL CG1 C 19.627 0.025 2 1214 107 110 VAL CG2 C 22.107 0.028 2 1215 107 110 VAL N N 123.393 0.026 1 1216 108 111 ARG H H 8.726 0.005 1 1217 108 111 ARG HA H 4.973 0.011 1 1218 108 111 ARG HB2 H 1.700 0.005 2 1219 108 111 ARG HB3 H 1.980 0.003 2 1220 108 111 ARG HG2 H 1.507 0.0 2 1221 108 111 ARG HG3 H 1.396 0.014 2 1222 108 111 ARG HD2 H 3.183 0.005 2 1223 108 111 ARG HD3 H 3.043 0.007 2 1224 108 111 ARG HE H 8.292 0.003 1 1225 108 111 ARG C C 173.858 . 1 1226 108 111 ARG CA C 54.851 0.06 1 1227 108 111 ARG CB C 35.050 0.052 1 1228 108 111 ARG CG C 26.255 0.033 1 1229 108 111 ARG CD C 44.378 0.037 1 1230 108 111 ARG N N 126.674 0.015 1 1231 108 111 ARG NE N 83.689 0.012 1 1232 109 112 VAL H H 9.684 0.004 1 1233 109 112 VAL HA H 4.679 0.005 1 1234 109 112 VAL HB H 2.008 0.006 1 1235 109 112 VAL HG1 H 0.496 0.002 2 1236 109 112 VAL HG2 H 0.833 0.003 2 1237 109 112 VAL C C 174.530 . 1 1238 109 112 VAL CA C 61.108 0.037 1 1239 109 112 VAL CB C 33.981 0.053 1 1240 109 112 VAL CG1 C 21.555 0.019 2 1241 109 112 VAL CG2 C 20.792 0.03 2 1242 109 112 VAL N N 126.983 0.03 1 1243 110 113 GLY H H 9.140 0.003 1 1244 110 113 GLY HA2 H 3.196 0.001 2 1245 110 113 GLY HA3 H 5.266 0.005 2 1246 110 113 GLY C C 172.560 . 1 1247 110 113 GLY CA C 44.122 0.024 1 1248 110 113 GLY N N 113.386 0.018 1 1249 111 114 TYR H H 8.780 0.003 1 1250 111 114 TYR HA H 4.966 0.015 1 1251 111 114 TYR HB2 H 2.469 0.0 2 1252 111 114 TYR HB3 H 2.918 0.0 2 1253 111 114 TYR HD1 H 6.850 0.006 1 1254 111 114 TYR HD2 H 6.850 0.006 1 1255 111 114 TYR HE1 H 6.485 0.005 1 1256 111 114 TYR HE2 H 6.485 0.005 1 1257 111 114 TYR HH H 8.705 . 1 1258 111 114 TYR C C 176.241 . 1 1259 111 114 TYR CA C 56.734 0.015 1 1260 111 114 TYR CB C 42.132 0.0 1 1261 111 114 TYR CD1 C 132.886 0.079 1 1262 111 114 TYR CD2 C 132.886 0.079 1 1263 111 114 TYR CE1 C 117.503 0.061 1 1264 111 114 TYR CE2 C 117.503 0.061 1 1265 111 114 TYR N N 119.604 0.021 1 1266 112 115 TYR H H 9.189 0.004 1 1267 112 115 TYR HA H 5.139 0.002 1 1268 112 115 TYR HB2 H 2.939 0.016 2 1269 112 115 TYR HB3 H 3.146 . 2 1270 112 115 TYR HD1 H 7.188 0.002 1 1271 112 115 TYR HD2 H 7.188 0.002 1 1272 112 115 TYR HE1 H 6.768 0.002 1 1273 112 115 TYR HE2 H 6.768 0.002 1 1274 112 115 TYR C C 175.432 . 1 1275 112 115 TYR CA C 58.424 0.039 1 1276 112 115 TYR CB C 40.052 0.045 1 1277 112 115 TYR CD1 C 133.165 0.03 1 1278 112 115 TYR CD2 C 133.165 0.03 1 1279 112 115 TYR CE1 C 118.201 0.045 1 1280 112 115 TYR CE2 C 118.201 0.045 1 1281 112 115 TYR N N 120.141 0.017 1 1282 113 116 VAL H H 9.222 0.002 1 1283 113 116 VAL HA H 4.520 0.003 1 1284 113 116 VAL HB H 2.140 0.0 1 1285 113 116 VAL HG1 H 0.946 0.002 2 1286 113 116 VAL HG2 H 0.876 0.002 2 1287 113 116 VAL C C 174.620 . 1 1288 113 116 VAL CA C 61.379 0.049 1 1289 113 116 VAL CB C 34.276 . 1 1290 113 116 VAL CG1 C 22.080 0.027 2 1291 113 116 VAL CG2 C 22.243 0.036 2 1292 113 116 VAL N N 121.562 0.018 1 1293 114 117 ASN H H 8.797 0.004 1 1294 114 117 ASN HA H 5.241 0.0 1 1295 114 117 ASN HB2 H 2.915 0.006 2 1296 114 117 ASN HB3 H 2.713 0.003 2 1297 114 117 ASN HD21 H 6.825 0.011 1 1298 114 117 ASN HD22 H 7.538 0.002 1 1299 114 117 ASN CA C 52.524 . 1 1300 114 117 ASN CB C 40.636 0.022 1 1301 114 117 ASN N N 124.559 0.021 1 1302 114 117 ASN ND2 N 111.242 0.012 1 1303 115 118 ASN H H 8.758 0.003 1 1304 115 118 ASN HA H 5.715 0.003 1 1305 115 118 ASN HB2 H 2.281 0.0 2 1306 115 118 ASN HB3 H 2.966 0.0 2 1307 115 118 ASN HD21 H 5.950 0.008 1 1308 115 118 ASN C C 173.549 . 1 1309 115 118 ASN CA C 53.184 0.02 1 1310 115 118 ASN CB C 42.517 0.0 1 1311 115 118 ASN N N 121.614 0.013 1 1312 115 118 ASN ND2 N 112.603 0.008 1 1313 116 119 GLU H H 8.702 0.003 1 1314 116 119 GLU HA H 4.674 0.002 1 1315 116 119 GLU HB2 H 1.903 0.003 2 1316 116 119 GLU HB3 H 2.049 0.001 2 1317 116 119 GLU HG2 H 2.275 0.005 2 1318 116 119 GLU HG3 H 2.188 0.003 2 1319 116 119 GLU C C 174.795 . 1 1320 116 119 GLU CA C 54.258 0.025 1 1321 116 119 GLU CB C 34.307 0.02 1 1322 116 119 GLU CG C 35.174 0.038 1 1323 116 119 GLU N N 119.279 0.017 1 1324 117 120 TYR H H 8.909 0.003 1 1325 117 120 TYR HA H 5.329 0.009 1 1326 117 120 TYR HB2 H 3.028 0.0 2 1327 117 120 TYR HB3 H 2.689 0.0 2 1328 117 120 TYR HD1 H 7.025 0.018 1 1329 117 120 TYR HD2 H 7.025 0.018 1 1330 117 120 TYR HE1 H 6.949 0.004 1 1331 117 120 TYR HE2 H 6.949 0.004 1 1332 117 120 TYR C C 178.127 . 1 1333 117 120 TYR CA C 59.142 0.002 1 1334 117 120 TYR CB C 41.017 . 1 1335 117 120 TYR CD1 C 132.975 0.035 1 1336 117 120 TYR CD2 C 132.975 0.035 1 1337 117 120 TYR CE1 C 117.537 0.049 1 1338 117 120 TYR CE2 C 117.537 0.049 1 1339 117 120 TYR N N 119.886 0.031 1 1340 118 121 ASP H H 9.131 0.003 1 1341 118 121 ASP HA H 4.346 0.001 1 1342 118 121 ASP HB2 H 3.103 0.007 2 1343 118 121 ASP HB3 H 2.697 0.007 2 1344 118 121 ASP C C 176.142 . 1 1345 118 121 ASP CA C 54.735 0.041 1 1346 118 121 ASP CB C 40.404 0.048 1 1347 118 121 ASP N N 119.371 0.026 1 1348 119 122 GLU H H 7.255 0.002 1 1349 119 122 GLU HA H 4.717 0.002 1 1350 119 122 GLU HB2 H 2.189 0.005 2 1351 119 122 GLU HB3 H 1.671 0.006 2 1352 119 122 GLU HG2 H 2.401 0.002 2 1353 119 122 GLU HG3 H 2.456 0.003 2 1354 119 122 GLU C C 176.873 . 1 1355 119 122 GLU CA C 54.514 0.047 1 1356 119 122 GLU CB C 32.838 0.028 1 1357 119 122 GLU CG C 35.332 0.044 1 1358 119 122 GLU N N 118.382 0.019 1 1359 120 123 GLU H H 9.181 0.002 1 1360 120 123 GLU HA H 3.804 0.005 1 1361 120 123 GLU HB2 H 2.121 0.001 2 1362 120 123 GLU HB3 H 2.009 0.003 2 1363 120 123 GLU HG2 H 2.309 0.002 2 1364 120 123 GLU HG3 H 2.309 0.002 2 1365 120 123 GLU C C 177.797 . 1 1366 120 123 GLU CA C 60.141 0.046 1 1367 120 123 GLU CB C 29.471 0.024 1 1368 120 123 GLU CG C 35.644 0.015 1 1369 120 123 GLU N N 126.582 0.009 1 1370 121 124 GLU H H 9.165 0.003 1 1371 121 124 GLU HA H 4.018 0.003 1 1372 121 124 GLU HB2 H 1.867 0.002 2 1373 121 124 GLU HB3 H 2.040 0.005 2 1374 121 124 GLU HG2 H 2.252 0.004 2 1375 121 124 GLU HG3 H 2.295 0.003 2 1376 121 124 GLU C C 178.507 . 1 1377 121 124 GLU CA C 59.746 0.004 1 1378 121 124 GLU CB C 29.175 0.016 1 1379 121 124 GLU CG C 36.118 0.02 1 1380 121 124 GLU N N 117.373 0.02 1 1381 122 125 LEU H H 6.564 0.004 1 1382 122 125 LEU HA H 3.912 0.007 1 1383 122 125 LEU HB2 H 0.627 0.013 2 1384 122 125 LEU HB3 H 1.513 0.005 2 1385 122 125 LEU HG H 1.366 0.01 1 1386 122 125 LEU HD1 H 0.331 0.001 2 1387 122 125 LEU HD2 H 0.396 0.001 2 1388 122 125 LEU C C 176.845 . 1 1389 122 125 LEU CA C 56.116 0.031 1 1390 122 125 LEU CB C 41.324 0.038 1 1391 122 125 LEU CG C 26.729 0.029 1 1392 122 125 LEU CD1 C 25.379 0.017 2 1393 122 125 LEU CD2 C 22.376 0.019 2 1394 122 125 LEU N N 116.198 0.015 1 1395 123 126 ARG H H 7.473 0.003 1 1396 123 126 ARG HA H 4.208 0.002 1 1397 123 126 ARG HB2 H 2.054 0.0 2 1398 123 126 ARG HB3 H 1.897 0.0 2 1399 123 126 ARG HG2 H 1.832 0.005 2 1400 123 126 ARG HG3 H 1.832 0.005 2 1401 123 126 ARG HD2 H 3.190 0.005 2 1402 123 126 ARG HD3 H 3.471 0.006 2 1403 123 126 ARG HE H 7.409 0.002 1 1404 123 126 ARG C C 179.343 . 1 1405 123 126 ARG CA C 59.499 0.035 1 1406 123 126 ARG CB C 31.203 0.007 1 1407 123 126 ARG CG C 29.435 0.018 1 1408 123 126 ARG CD C 44.045 0.019 1 1409 123 126 ARG N N 114.959 0.018 1 1410 123 126 ARG NE N 83.667 0.01 1 1411 124 127 GLU H H 7.986 0.006 1 1412 124 127 GLU HA H 4.122 0.002 1 1413 124 127 GLU HB2 H 1.952 0.004 2 1414 124 127 GLU HB3 H 2.033 0.002 2 1415 124 127 GLU HG2 H 2.419 0.001 2 1416 124 127 GLU HG3 H 2.307 0.001 2 1417 124 127 GLU C C 176.414 . 1 1418 124 127 GLU CA C 57.793 0.028 1 1419 124 127 GLU CB C 30.319 0.031 1 1420 124 127 GLU CG C 35.960 0.027 1 1421 124 127 GLU N N 115.417 0.017 1 1422 125 128 ASN H H 7.412 0.001 1 1423 125 128 ASN HA H 5.080 0.001 1 1424 125 128 ASN HB2 H 2.588 0.002 2 1425 125 128 ASN HB3 H 2.692 0.002 2 1426 125 128 ASN HD21 H 6.913 0.001 1 1427 125 128 ASN HD22 H 7.671 0.001 1 1428 125 128 ASN CA C 50.545 0.015 1 1429 125 128 ASN CB C 39.432 0.023 1 1430 125 128 ASN N N 115.898 0.01 1 1431 125 128 ASN ND2 N 115.029 0.01 1 1432 126 129 PRO HA H 4.856 0.003 1 1433 126 129 PRO HB2 H 2.506 0.002 2 1434 126 129 PRO HB3 H 2.015 0.002 2 1435 126 129 PRO HG2 H 2.147 0.002 2 1436 126 129 PRO HG3 H 2.126 0.003 2 1437 126 129 PRO HD2 H 3.594 0.005 2 1438 126 129 PRO HD3 H 3.410 0.003 2 1439 126 129 PRO CA C 61.455 0.01 1 1440 126 129 PRO CB C 31.411 0.029 1 1441 126 129 PRO CG C 27.724 0.015 1 1442 126 129 PRO CD C 50.029 0.032 1 1443 127 130 PRO HA H 4.445 0.003 1 1444 127 130 PRO HB2 H 2.217 0.006 2 1445 127 130 PRO HB3 H 2.217 0.006 2 1446 127 130 PRO HG2 H 1.762 0.001 2 1447 127 130 PRO HG3 H 1.968 0.0 2 1448 127 130 PRO HD2 H 3.523 0.008 2 1449 127 130 PRO HD3 H 3.530 0.005 2 1450 127 130 PRO C C 176.769 . 1 1451 127 130 PRO CA C 61.934 0.025 1 1452 127 130 PRO CB C 32.228 0.011 1 1453 127 130 PRO CG C 27.167 0.053 1 1454 127 130 PRO CD C 50.651 0.05 1 1455 128 131 ALA H H 8.491 0.006 1 1456 128 131 ALA HA H 4.031 0.0 1 1457 128 131 ALA HB H 1.424 0.001 1 1458 128 131 ALA C C 178.060 . 1 1459 128 131 ALA CA C 54.566 0.009 1 1460 128 131 ALA CB C 18.634 0.021 1 1461 128 131 ALA N N 123.242 0.011 1 1462 129 132 LYS H H 7.526 0.002 1 1463 129 132 LYS HA H 4.596 0.003 1 1464 129 132 LYS HB2 H 1.629 0.002 2 1465 129 132 LYS HB3 H 1.748 0.002 2 1466 129 132 LYS HG2 H 1.345 0.002 2 1467 129 132 LYS HG3 H 1.424 0.001 2 1468 129 132 LYS HD2 H 1.690 0.001 2 1469 129 132 LYS HD3 H 1.691 0.001 2 1470 129 132 LYS HE2 H 3.008 0.001 2 1471 129 132 LYS HE3 H 3.009 0.001 2 1472 129 132 LYS C C 175.573 . 1 1473 129 132 LYS CA C 54.032 0.028 1 1474 129 132 LYS CB C 33.397 0.017 1 1475 129 132 LYS CG C 24.723 0.013 1 1476 129 132 LYS CD C 29.134 0.012 1 1477 129 132 LYS CE C 42.254 0.007 1 1478 129 132 LYS N N 116.007 0.014 1 1479 130 133 VAL H H 8.243 0.003 1 1480 130 133 VAL HA H 3.745 0.002 1 1481 130 133 VAL HB H 1.826 0.003 1 1482 130 133 VAL HG1 H 0.915 0.004 2 1483 130 133 VAL HG2 H 0.798 0.001 2 1484 130 133 VAL C C 176.458 . 1 1485 130 133 VAL CA C 63.205 0.025 1 1486 130 133 VAL CB C 32.112 0.026 1 1487 130 133 VAL CG1 C 21.600 0.042 2 1488 130 133 VAL CG2 C 21.208 0.03 2 1489 130 133 VAL N N 123.594 0.019 1 1490 131 134 GLN H H 7.637 0.005 1 1491 131 134 GLN HA H 4.703 0.003 1 1492 131 134 GLN HB2 H 2.324 0.005 2 1493 131 134 GLN HB3 H 1.993 0.009 2 1494 131 134 GLN HG2 H 2.478 0.005 2 1495 131 134 GLN HG3 H 2.435 0.004 2 1496 131 134 GLN HE21 H 7.511 0.001 1 1497 131 134 GLN HE22 H 6.712 0.002 1 1498 131 134 GLN C C 176.556 . 1 1499 131 134 GLN CA C 53.501 0.028 1 1500 131 134 GLN CB C 28.499 0.043 1 1501 131 134 GLN CG C 33.081 0.027 1 1502 131 134 GLN N N 125.759 0.016 1 1503 131 134 GLN NE2 N 111.271 0.017 1 1504 132 135 VAL H H 8.343 0.003 1 1505 132 135 VAL HA H 3.440 0.005 1 1506 132 135 VAL HB H 1.939 0.002 1 1507 132 135 VAL HG1 H 0.824 0.003 2 1508 132 135 VAL HG2 H 0.738 0.002 2 1509 132 135 VAL C C 176.972 . 1 1510 132 135 VAL CA C 65.766 0.037 1 1511 132 135 VAL CB C 31.689 0.044 1 1512 132 135 VAL CG1 C 21.755 0.033 2 1513 132 135 VAL CG2 C 21.462 0.015 2 1514 132 135 VAL N N 123.118 0.014 1 1515 133 136 ASP H H 8.961 0.005 1 1516 133 136 ASP HA H 4.493 0.002 1 1517 133 136 ASP HB2 H 2.547 0.002 2 1518 133 136 ASP HB3 H 2.611 0.004 2 1519 133 136 ASP C C 176.214 . 1 1520 133 136 ASP CA C 55.472 0.035 1 1521 133 136 ASP CB C 39.455 0.02 1 1522 133 136 ASP N N 116.790 0.026 1 1523 134 137 HIS H H 8.011 0.003 1 1524 134 137 HIS HA H 4.787 0.0 1 1525 134 137 HIS HB2 H 2.922 . 2 1526 134 137 HIS HB3 H 3.993 0.0 2 1527 134 137 HIS HD2 H 7.265 0.008 1 1528 134 137 HIS C C 172.888 . 1 1529 134 137 HIS CA C 55.800 . 1 1530 134 137 HIS CB C 30.774 0.0 1 1531 134 137 HIS CD2 C 119.466 0.081 1 1532 134 137 HIS N N 115.226 0.025 1 1533 135 138 ILE H H 7.504 0.005 1 1534 135 138 ILE HA H 4.335 0.008 1 1535 135 138 ILE HB H 1.829 0.007 1 1536 135 138 ILE HG12 H 0.456 0.004 2 1537 135 138 ILE HG13 H 1.545 0.0 2 1538 135 138 ILE HG2 H 0.779 0.003 1 1539 135 138 ILE HD1 H 0.112 0.003 1 1540 135 138 ILE C C 175.488 . 1 1541 135 138 ILE CA C 61.503 0.064 1 1542 135 138 ILE CB C 37.885 0.062 1 1543 135 138 ILE CG1 C 27.141 0.025 1 1544 135 138 ILE CG2 C 18.327 0.02 1 1545 135 138 ILE CD1 C 13.189 0.021 1 1546 135 138 ILE N N 120.995 0.024 1 1547 136 139 VAL H H 9.478 0.003 1 1548 136 139 VAL HA H 4.581 0.005 1 1549 136 139 VAL HB H 2.018 0.002 1 1550 136 139 VAL HG1 H 0.908 0.002 2 1551 136 139 VAL HG2 H 0.953 0.001 2 1552 136 139 VAL C C 174.496 . 1 1553 136 139 VAL CA C 61.086 0.054 1 1554 136 139 VAL CB C 34.118 0.017 1 1555 136 139 VAL CG1 C 21.514 0.017 2 1556 136 139 VAL CG2 C 21.380 0.019 2 1557 136 139 VAL N N 129.877 0.019 1 1558 137 140 ARG H H 9.503 0.003 1 1559 137 140 ARG HA H 5.389 0.009 1 1560 137 140 ARG HB2 H 1.690 0.0 2 1561 137 140 ARG HB3 H 1.365 0.0 2 1562 137 140 ARG HG2 H 1.625 0.0 2 1563 137 140 ARG HG3 H 1.282 0.0 2 1564 137 140 ARG HD2 H 3.368 0.024 2 1565 137 140 ARG HD3 H 3.254 0.0 2 1566 137 140 ARG HE H 7.334 0.001 1 1567 137 140 ARG HH11 H 6.826 0.0 1 1568 137 140 ARG HH22 H 6.826 0.0 1 1569 137 140 ARG CA C 53.623 0.007 1 1570 137 140 ARG CB C 33.586 0.0 1 1571 137 140 ARG CG C 27.279 0.0 1 1572 137 140 ARG CD C 43.545 0.019 1 1573 137 140 ARG N N 126.950 0.026 1 1574 137 140 ARG NE N 81.260 0.005 1 1575 138 141 ASN H H 8.771 0.009 1 1576 138 141 ASN HA H 5.139 0.006 1 1577 138 141 ASN HB2 H 2.906 0.003 2 1578 138 141 ASN HB3 H 2.646 0.007 2 1579 138 141 ASN HD21 H 6.526 0.002 1 1580 138 141 ASN HD22 H 7.442 0.003 1 1581 138 141 ASN C C 175.137 . 1 1582 138 141 ASN CA C 51.568 0.037 1 1583 138 141 ASN CB C 40.617 0.051 1 1584 138 141 ASN N N 121.658 0.028 1 1585 138 141 ASN ND2 N 109.387 0.008 1 1586 139 142 ILE H H 9.730 0.004 1 1587 139 142 ILE HA H 4.166 0.009 1 1588 139 142 ILE HB H 1.507 0.002 1 1589 139 142 ILE HG12 H 1.760 0.0 2 1590 139 142 ILE HG13 H 1.078 0.009 2 1591 139 142 ILE HG2 H 0.518 0.002 1 1592 139 142 ILE HD1 H 0.857 0.003 1 1593 139 142 ILE CA C 62.498 0.037 1 1594 139 142 ILE CB C 38.672 0.05 1 1595 139 142 ILE CG1 C 28.546 0.036 1 1596 139 142 ILE CG2 C 16.959 0.016 1 1597 139 142 ILE CD1 C 14.808 0.025 1 1598 139 142 ILE N N 126.803 0.03 1 1599 140 143 LEU H H 9.167 0.006 1 1600 140 143 LEU HA H 4.760 0.0 1 1601 140 143 LEU HB2 H 2.056 0.005 2 1602 140 143 LEU HB3 H 1.759 0.002 2 1603 140 143 LEU HG H 1.768 0.004 1 1604 140 143 LEU HD1 H 0.912 0.002 2 1605 140 143 LEU HD2 H 0.986 0.001 2 1606 140 143 LEU C C 178.249 . 1 1607 140 143 LEU CA C 54.700 0.001 1 1608 140 143 LEU CB C 37.772 0.021 1 1609 140 143 LEU CG C 27.371 0.034 1 1610 140 143 LEU CD1 C 23.658 0.011 2 1611 140 143 LEU CD2 C 24.972 0.012 2 1612 140 143 LEU N N 131.367 0.024 1 1613 141 144 ALA H H 8.187 0.002 1 1614 141 144 ALA HA H 4.220 0.008 1 1615 141 144 ALA HB H 1.357 0.003 1 1616 141 144 ALA C C 177.378 . 1 1617 141 144 ALA CA C 53.662 0.036 1 1618 141 144 ALA CB C 19.560 0.022 1 1619 141 144 ALA N N 127.063 0.024 1 1620 142 145 GLU H H 9.068 0.003 1 1621 142 145 GLU HA H 4.398 0.005 1 1622 142 145 GLU HB2 H 2.243 0.001 2 1623 142 145 GLU HB3 H 2.117 0.003 2 1624 142 145 GLU HG2 H 2.429 0.002 2 1625 142 145 GLU HG3 H 2.368 0.003 2 1626 142 145 GLU C C 176.451 . 1 1627 142 145 GLU CA C 57.447 0.039 1 1628 142 145 GLU CB C 29.674 0.022 1 1629 142 145 GLU CG C 36.641 0.021 1 1630 142 145 GLU N N 115.762 0.012 1 1631 143 146 LYS H H 7.501 0.004 1 1632 143 146 LYS HA H 5.003 0.006 1 1633 143 146 LYS HB2 H 2.035 0.001 2 1634 143 146 LYS HB3 H 1.756 0.003 2 1635 143 146 LYS HG2 H 1.386 0.002 2 1636 143 146 LYS HG3 H 1.474 0.002 2 1637 143 146 LYS HD2 H 1.807 0.003 2 1638 143 146 LYS HD3 H 1.748 0.002 2 1639 143 146 LYS HE2 H 3.041 0.001 2 1640 143 146 LYS HE3 H 3.041 0.001 2 1641 143 146 LYS CA C 53.423 0.031 1 1642 143 146 LYS CB C 33.211 0.025 1 1643 143 146 LYS CG C 24.568 0.041 1 1644 143 146 LYS CD C 29.399 0.025 1 1645 143 146 LYS CE C 42.327 0.028 1 1646 143 146 LYS N N 117.429 0.019 1 1647 144 147 PRO HA H 4.343 0.005 1 1648 144 147 PRO HB2 H 1.705 0.007 2 1649 144 147 PRO HB3 H 1.318 0.006 2 1650 144 147 PRO HG2 H 1.940 0.0 2 1651 144 147 PRO HG3 H 2.004 0.012 2 1652 144 147 PRO HD2 H 3.622 0.0 2 1653 144 147 PRO HD3 H 3.595 0.0 2 1654 144 147 PRO C C 176.983 . 1 1655 144 147 PRO CA C 63.155 0.041 1 1656 144 147 PRO CB C 31.989 0.048 1 1657 144 147 PRO CG C 26.475 0.026 1 1658 144 147 PRO CD C 50.189 0.005 1 1659 145 148 ARG H H 8.710 0.003 1 1660 145 148 ARG HA H 4.572 0.003 1 1661 145 148 ARG HB2 H 1.632 0.003 2 1662 145 148 ARG HB3 H 1.666 0.0 2 1663 145 148 ARG HG2 H 1.488 0.002 2 1664 145 148 ARG HG3 H 1.594 0.003 2 1665 145 148 ARG HD2 H 3.131 0.003 2 1666 145 148 ARG HD3 H 3.131 0.003 2 1667 145 148 ARG HE H 7.170 0.001 1 1668 145 148 ARG C C 175.481 . 1 1669 145 148 ARG CA C 54.822 0.064 1 1670 145 148 ARG CB C 30.690 0.014 1 1671 145 148 ARG CG C 26.986 0.043 1 1672 145 148 ARG CD C 43.269 0.017 1 1673 145 148 ARG N N 122.109 0.014 1 1674 145 148 ARG NE N 85.003 0.016 1 1675 146 149 VAL H H 8.858 0.003 1 1676 146 149 VAL HA H 4.675 0.0 1 1677 146 149 VAL HB H 1.969 0.003 1 1678 146 149 VAL HG1 H 0.798 0.002 2 1679 146 149 VAL HG2 H 0.864 0.002 2 1680 146 149 VAL C C 175.823 . 1 1681 146 149 VAL CA C 62.079 0.0 1 1682 146 149 VAL CB C 33.410 0.0 1 1683 146 149 VAL CG1 C 20.911 0.037 2 1684 146 149 VAL CG2 C 21.252 0.062 2 1685 146 149 VAL N N 128.766 0.021 1 1686 147 150 THR H H 9.223 0.004 1 1687 147 150 THR HA H 4.331 0.005 1 1688 147 150 THR HB H 3.603 0.003 1 1689 147 150 THR HG2 H 0.683 0.002 1 1690 147 150 THR C C 171.783 . 1 1691 147 150 THR CA C 61.859 0.054 1 1692 147 150 THR CB C 70.569 0.032 1 1693 147 150 THR CG2 C 22.335 0.031 1 1694 147 150 THR N N 125.586 0.029 1 1695 148 151 ARG H H 8.311 0.003 1 1696 148 151 ARG HA H 4.774 0.0 1 1697 148 151 ARG HB2 H 1.983 0.0 2 1698 148 151 ARG HB3 H 1.624 0.0 2 1699 148 151 ARG HG2 H 1.625 0.001 2 1700 148 151 ARG HG3 H 1.625 0.001 2 1701 148 151 ARG HD2 H 3.339 0.002 2 1702 148 151 ARG HD3 H 3.270 0.004 2 1703 148 151 ARG HE H 7.336 0.003 1 1704 148 151 ARG C C 174.626 . 1 1705 148 151 ARG CA C 54.645 0.0 1 1706 148 151 ARG CB C 32.998 0.023 1 1707 148 151 ARG CG C 28.194 0.004 1 1708 148 151 ARG CD C 43.473 0.026 1 1709 148 151 ARG N N 124.471 0.008 1 1710 148 151 ARG NE N 84.951 0.006 1 1711 149 152 PHE H H 8.248 0.003 1 1712 149 152 PHE HA H 4.857 0.007 1 1713 149 152 PHE HB2 H 3.152 0.006 2 1714 149 152 PHE HB3 H 3.017 0.016 2 1715 149 152 PHE HD1 H 6.864 0.003 1 1716 149 152 PHE HD2 H 6.864 0.003 1 1717 149 152 PHE HE1 H 7.015 0.004 1 1718 149 152 PHE HE2 H 7.015 0.004 1 1719 149 152 PHE HZ H 6.899 0.002 1 1720 149 152 PHE C C 175.071 . 1 1721 149 152 PHE CA C 55.525 0.023 1 1722 149 152 PHE CB C 41.231 0.023 1 1723 149 152 PHE CD1 C 132.032 0.044 1 1724 149 152 PHE CD2 C 132.032 0.044 1 1725 149 152 PHE CE1 C 130.597 0.028 1 1726 149 152 PHE CE2 C 130.597 0.028 1 1727 149 152 PHE CZ C 129.290 0.03 1 1728 149 152 PHE N N 119.908 0.019 1 1729 150 153 ASN H H 8.938 0.003 1 1730 150 153 ASN HA H 5.005 0.001 1 1731 150 153 ASN HB2 H 2.842 0.002 2 1732 150 153 ASN HB3 H 2.785 0.002 2 1733 150 153 ASN HD21 H 7.685 0.001 1 1734 150 153 ASN HD22 H 7.023 0.003 1 1735 150 153 ASN C C 175.169 . 1 1736 150 153 ASN CA C 53.389 0.034 1 1737 150 153 ASN CB C 38.884 0.051 1 1738 150 153 ASN N N 121.708 0.019 1 1739 150 153 ASN ND2 N 113.935 0.021 1 1740 151 154 ILE H H 8.138 0.003 1 1741 151 154 ILE HA H 4.717 0.0 1 1742 151 154 ILE HB H 1.429 0.008 1 1743 151 154 ILE HG12 H 0.356 0.002 2 1744 151 154 ILE HG13 H -0.204 0.0 2 1745 151 154 ILE HG2 H 0.669 0.003 1 1746 151 154 ILE HD1 H -0.267 0.003 1 1747 151 154 ILE C C 175.239 . 1 1748 151 154 ILE CA C 59.536 0.002 1 1749 151 154 ILE CB C 42.825 0.045 1 1750 151 154 ILE CG1 C 24.833 0.035 1 1751 151 154 ILE CG2 C 18.367 0.038 1 1752 151 154 ILE CD1 C 13.975 0.02 1 1753 151 154 ILE N N 118.334 0.029 1 1754 152 155 VAL H H 7.585 0.003 1 1755 152 155 VAL HA H 4.146 0.006 1 1756 152 155 VAL HB H 1.862 0.002 1 1757 152 155 VAL HG1 H 0.908 0.001 2 1758 152 155 VAL HG2 H 0.955 0.002 2 1759 152 155 VAL C C 176.078 . 1 1760 152 155 VAL CA C 62.098 0.014 1 1761 152 155 VAL CB C 32.956 0.033 1 1762 152 155 VAL CG1 C 21.232 0.04 2 1763 152 155 VAL CG2 C 21.336 0.032 2 1764 152 155 VAL N N 118.681 0.014 1 1765 153 156 TRP H H 8.706 0.005 1 1766 153 156 TRP HA H 4.508 0.0 1 1767 153 156 TRP HB2 H 2.912 . 2 1768 153 156 TRP HB3 H 3.090 . 2 1769 153 156 TRP HD1 H 7.218 0.01 1 1770 153 156 TRP HE1 H 10.085 0.003 1 1771 153 156 TRP HE3 H 6.382 0.0 1 1772 153 156 TRP HZ2 H 6.912 0.005 1 1773 153 156 TRP HZ3 H 5.877 0.0 1 1774 153 156 TRP HH2 H 6.931 0.0 1 1775 153 156 TRP C C 175.104 . 1 1776 153 156 TRP CA C 56.951 0.0 1 1777 153 156 TRP CB C 27.265 . 1 1778 153 156 TRP CD1 C 128.763 0.088 1 1779 153 156 TRP CE3 C 120.775 . 1 1780 153 156 TRP CZ2 C 112.487 0.031 1 1781 153 156 TRP CZ3 C 121.749 . 1 1782 153 156 TRP CH2 C 125.009 0.071 1 1783 153 156 TRP N N 129.031 0.018 1 1784 153 156 TRP NE1 N 128.205 0.016 1 1785 154 157 ASP H H 8.451 0.002 1 1786 154 157 ASP HA H 5.139 0.004 1 1787 154 157 ASP HB2 H 2.856 0.003 2 1788 154 157 ASP HB3 H 2.742 0.003 2 1789 154 157 ASP C C 175.981 . 1 1790 154 157 ASP CA C 54.464 0.021 1 1791 154 157 ASP CB C 41.157 0.017 1 1792 154 157 ASP N N 120.189 0.019 1 1793 155 158 ASN H H 8.518 0.002 1 1794 155 158 ASN HA H 4.748 0.0 1 1795 155 158 ASN HB2 H 2.857 0.006 2 1796 155 158 ASN HB3 H 2.774 0.004 2 1797 155 158 ASN HD21 H 7.027 0.001 1 1798 155 158 ASN HD22 H 7.722 0.002 1 1799 155 158 ASN C C 175.150 . 1 1800 155 158 ASN CA C 53.302 0.009 1 1801 155 158 ASN CB C 39.180 0.025 1 1802 155 158 ASN N N 118.705 0.013 1 1803 155 158 ASN ND2 N 113.835 0.016 1 1804 156 159 GLU H H 8.696 0.002 1 1805 156 159 GLU HA H 4.278 0.004 1 1806 156 159 GLU HB2 H 2.102 0.004 2 1807 156 159 GLU HB3 H 1.977 0.002 2 1808 156 159 GLU HG2 H 2.304 0.001 2 1809 156 159 GLU HG3 H 2.274 0.003 2 1810 156 159 GLU C C 176.194 . 1 1811 156 159 GLU CA C 57.062 0.017 1 1812 156 159 GLU CB C 30.155 0.027 1 1813 156 159 GLU CG C 36.195 0.009 1 1814 156 159 GLU N N 121.832 0.018 1 1815 157 160 ASN H H 8.510 0.002 1 1816 157 160 ASN HA H 4.760 0.0 1 1817 157 160 ASN HB2 H 2.868 0.002 2 1818 157 160 ASN HB3 H 2.768 0.001 2 1819 157 160 ASN HD21 H 6.953 0.002 1 1820 157 160 ASN HD22 H 7.666 0.0 1 1821 157 160 ASN C C 175.259 . 1 1822 157 160 ASN CA C 53.356 0.0 1 1823 157 160 ASN CB C 39.192 0.023 1 1824 157 160 ASN N N 119.018 0.006 1 1825 157 160 ASN ND2 N 113.500 0.012 1 1826 158 161 GLU H H 8.428 0.007 1 1827 158 161 GLU HA H 4.281 0.001 1 1828 158 161 GLU HB2 H 1.985 0.004 2 1829 158 161 GLU HB3 H 2.109 0.007 2 1830 158 161 GLU HG2 H 2.284 . 2 1831 158 161 GLU HG3 H 2.285 . 2 1832 158 161 GLU C C 176.910 . 1 1833 158 161 GLU CA C 57.117 0.031 1 1834 158 161 GLU CB C 30.181 0.003 1 1835 158 161 GLU CG C 36.166 . 1 1836 158 161 GLU N N 121.724 0.044 1 1837 159 162 GLY H H 8.397 0.002 1 1838 159 162 GLY HA2 H 3.942 0.002 2 1839 159 162 GLY HA3 H 3.942 0.002 2 1840 159 162 GLY C C 173.890 . 1 1841 159 162 GLY CA C 45.358 0.031 1 1842 159 162 GLY N N 109.247 0.014 1 1843 160 163 ASP H H 8.130 0.002 1 1844 160 163 ASP HA H 4.575 0.003 1 1845 160 163 ASP HB2 H 2.644 0.004 2 1846 160 163 ASP HB3 H 2.561 0.007 2 1847 160 163 ASP C C 176.030 . 1 1848 160 163 ASP CA C 54.415 0.01 1 1849 160 163 ASP CB C 41.144 0.026 1 1850 160 163 ASP N N 120.156 0.018 1 1851 161 164 LEU H H 8.011 0.001 1 1852 161 164 LEU HA H 4.194 0.0 1 1853 161 164 LEU HB2 H 1.455 0.006 2 1854 161 164 LEU HB3 H 1.306 0.001 2 1855 161 164 LEU HG H 1.453 0.002 1 1856 161 164 LEU HD1 H 0.852 0.001 2 1857 161 164 LEU HD2 H 0.779 0.004 2 1858 161 164 LEU C C 176.612 . 1 1859 161 164 LEU CA C 55.366 0.007 1 1860 161 164 LEU CB C 42.594 0.021 1 1861 161 164 LEU CG C 26.894 0.028 1 1862 161 164 LEU CD1 C 24.885 0.025 2 1863 161 164 LEU CD2 C 23.503 0.003 2 1864 161 164 LEU N N 121.638 0.006 1 1865 162 165 TYR H H 8.053 0.001 1 1866 162 165 TYR HA H 4.853 0.0 1 1867 162 165 TYR HB2 H 3.075 0.002 2 1868 162 165 TYR HB3 H 2.808 0.004 2 1869 162 165 TYR HD1 H 7.149 0.005 1 1870 162 165 TYR HD2 H 7.149 0.005 1 1871 162 165 TYR HE1 H 6.824 0.005 1 1872 162 165 TYR HE2 H 6.824 0.005 1 1873 162 165 TYR CA C 55.302 0.014 1 1874 162 165 TYR CB C 38.224 0.019 1 1875 162 165 TYR CD1 C 133.491 0.02 1 1876 162 165 TYR CD2 C 133.491 0.02 1 1877 162 165 TYR CE1 C 118.201 0.043 1 1878 162 165 TYR CE2 C 118.201 0.043 1 1879 162 165 TYR N N 120.507 0.013 1 1880 163 166 PRO HA H 4.711 0.0 1 1881 163 166 PRO HB2 H 2.340 0.001 2 1882 163 166 PRO HB3 H 1.940 0.002 2 1883 163 166 PRO HG2 H 2.042 0.0 2 1884 163 166 PRO HG3 H 2.012 0.0 2 1885 163 166 PRO HD2 H 3.590 0.001 2 1886 163 166 PRO HD3 H 3.755 0.003 2 1887 163 166 PRO CA C 61.515 0.003 1 1888 163 166 PRO CB C 30.907 0.012 1 1889 163 166 PRO CG C 27.377 0.007 1 1890 163 166 PRO CD C 50.516 0.017 1 1891 164 167 PRO HA H 4.463 0.001 1 1892 164 167 PRO HB2 H 1.923 0.001 2 1893 164 167 PRO HB3 H 2.316 0.001 2 1894 164 167 PRO HG2 H 2.049 0.0 2 1895 164 167 PRO HG3 H 2.029 0.0 2 1896 164 167 PRO HD2 H 3.841 0.001 2 1897 164 167 PRO HD3 H 3.652 0.001 2 1898 164 167 PRO C C 177.034 . 1 1899 164 167 PRO CA C 63.012 0.036 1 1900 164 167 PRO CB C 32.113 0.021 1 1901 164 167 PRO CG C 27.402 . 1 1902 164 167 PRO CD C 50.459 0.014 1 1903 165 168 GLU H H 8.468 0.001 1 1904 165 168 GLU HA H 4.250 0.003 1 1905 165 168 GLU HB2 H 2.026 0.001 2 1906 165 168 GLU HB3 H 1.948 0.0 2 1907 165 168 GLU HG2 H 2.309 0.0 2 1908 165 168 GLU HG3 H 2.264 0.0 2 1909 165 168 GLU C C 176.312 . 1 1910 165 168 GLU CA C 56.555 0.03 1 1911 165 168 GLU CB C 30.380 0.031 1 1912 165 168 GLU CG C 36.125 0.0 1 1913 165 168 GLU N N 120.745 0.009 1 1914 166 169 GLN H H 8.436 0.001 1 1915 166 169 GLN HA H 4.661 0.001 1 1916 166 169 GLN HB2 H 1.947 0.002 2 1917 166 169 GLN HB3 H 2.104 0.0 2 1918 166 169 GLN HG2 H 2.381 0.001 2 1919 166 169 GLN HG3 H 2.381 0.001 2 1920 166 169 GLN HE21 H 7.563 0.001 1 1921 166 169 GLN HE22 H 6.869 0.002 1 1922 166 169 GLN CA C 53.414 0.02 1 1923 166 169 GLN CB C 29.193 0.01 1 1924 166 169 GLN CG C 33.476 0.038 1 1925 166 169 GLN N N 122.390 0.008 1 1926 166 169 GLN NE2 N 112.505 0.012 1 1927 167 170 PRO HA H 4.450 0.003 1 1928 167 170 PRO HB2 H 1.975 0.002 2 1929 167 170 PRO HB3 H 2.310 0.004 2 1930 167 170 PRO HG2 H 2.026 0.0 2 1931 167 170 PRO HG3 H 2.051 0.006 2 1932 167 170 PRO HD2 H 3.786 0.001 2 1933 167 170 PRO HD3 H 3.699 0.002 2 1934 167 170 PRO C C 177.522 . 1 1935 167 170 PRO CA C 63.400 0.027 1 1936 167 170 PRO CB C 32.210 0.025 1 1937 167 170 PRO CG C 27.389 0.023 1 1938 167 170 PRO CD C 50.664 0.024 1 1939 168 171 GLY H H 8.469 0.014 1 1940 168 171 GLY HA2 H 4.003 0.001 2 1941 168 171 GLY HA3 H 3.899 0.002 2 1942 168 171 GLY C C 173.368 . 1 1943 168 171 GLY CA C 45.455 0.011 1 1944 168 171 GLY N N 109.695 0.007 1 1945 169 172 VAL H H 7.559 0.014 1 1946 169 172 VAL HA H 4.075 0.001 1 1947 169 172 VAL HB H 2.113 0.001 1 1948 169 172 VAL HG1 H 0.873 0.001 2 1949 169 172 VAL HG2 H 0.910 0.0 2 1950 169 172 VAL CA C 63.502 0.009 1 1951 169 172 VAL CB C 33.138 0.02 1 1952 169 172 VAL CG1 C 20.064 0.014 2 1953 169 172 VAL CG2 C 21.317 0.018 2 1954 169 172 VAL N N 122.924 0.013 1 stop_ save_ save_assigned_chemical_shifts_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HCCH-TOCSY' (HB)CB(CGCD)HD '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D 13C,15N filtered 1H-13C NOESY' '2D 1H-15N HSQC' '2D 1H-15N TROSY-HSQC' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_2 _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 1 419 1 LEU H H 8.183 0.003 1 2 419 1 LEU HA H 4.286 0.003 1 3 419 1 LEU HB2 H 1.604 0.002 2 4 419 1 LEU HB3 H 1.643 0.008 2 5 419 1 LEU HG H 1.565 0.004 1 6 419 1 LEU HD1 H 0.932 . 2 7 419 1 LEU HD2 H 0.884 . 2 8 420 2 ALA H H 8.343 0.002 1 9 420 2 ALA HA H 4.350 0.001 1 10 420 2 ALA HB H 1.379 0.004 1 11 421 3 ILE H H 8.078 0.003 1 12 421 3 ILE HA H 4.206 0.007 1 13 421 3 ILE HB H 1.887 0.002 1 14 421 3 ILE HG12 H 1.200 0.005 2 15 421 3 ILE HG13 H 1.480 0.002 2 16 421 3 ILE HG2 H 0.916 0.012 1 17 421 3 ILE HD1 H 0.883 0.004 1 18 422 4 THR H H 8.139 0.009 1 19 422 4 THR HA H 4.307 0.001 1 20 422 4 THR HB H 4.219 0.007 1 21 422 4 THR HG2 H 1.207 0.003 1 22 423 5 MET H H 8.299 0.001 1 23 423 5 MET HA H 4.529 0.006 1 24 423 5 MET HB2 H 2.021 0.001 2 25 423 5 MET HB3 H 2.098 0.005 2 26 423 5 MET HG2 H 2.609 0.0 2 27 423 5 MET HG3 H 2.540 . 2 28 423 5 MET HE H 2.098 0.003 1 29 424 6 LEU H H 8.258 . 1 30 424 6 LEU HA H 4.371 0.003 1 31 424 6 LEU HB2 H 1.646 0.003 2 32 424 6 LEU HB3 H 1.649 0.003 2 33 424 6 LEU HG H 1.553 0.005 1 34 424 6 LEU HD1 H 0.925 0.014 2 35 424 6 LEU HD2 H 0.887 0.019 2 36 425 7 LYS H H 8.258 0.002 1 37 425 7 LYS HA H 4.638 0.001 1 38 425 7 LYS HB2 H 1.738 0.001 2 39 425 7 LYS HB3 H 1.832 0.0 2 40 425 7 LYS HG2 H 1.447 0.005 2 41 425 7 LYS HG3 H 1.449 0.006 2 42 425 7 LYS HD2 H 1.687 0.004 1 43 425 7 LYS HE2 H 3.019 0.005 2 44 425 7 LYS HE3 H 3.023 . 2 45 426 8 PRO HA H 4.448 0.01 1 46 426 8 PRO HB2 H 1.889 0.003 2 47 426 8 PRO HB3 H 2.263 0.015 2 48 426 8 PRO HG2 H 2.057 0.005 2 49 426 8 PRO HG3 H 2.043 0.008 2 50 426 8 PRO HD2 H 3.682 0.012 2 51 426 8 PRO HD3 H 3.840 0.01 2 52 427 9 ARG H H 8.483 0.002 1 53 427 9 ARG HA H 4.342 . 1 54 427 9 ARG HB2 H 1.769 0.005 2 55 427 9 ARG HB3 H 1.850 0.005 2 56 427 9 ARG HG2 H 1.687 0.003 2 57 427 9 ARG HG3 H 1.688 . 2 58 427 9 ARG HD2 H 3.241 0.009 1 59 427 9 ARG HD3 H 3.241 0.009 1 60 427 9 ARG HE H 7.216 0.004 1 61 428 10 LYS H H 8.416 0.009 1 62 428 10 LYS HA H 4.317 . 1 63 428 10 LYS HB2 H 1.750 . 2 64 428 10 LYS HB3 H 1.813 . 2 65 428 10 LYS HG2 H 1.461 0.008 2 66 428 10 LYS HG3 H 1.468 0.005 2 67 428 10 LYS HD2 H 1.687 0.004 1 68 428 10 LYS HE2 H 3.023 . 2 69 428 10 LYS HE3 H 3.019 0.005 2 70 429 11 LYS H H 8.403 0.008 1 71 429 11 LYS HA H 4.282 0.0 1 72 429 11 LYS HB2 H 1.736 . 2 73 429 11 LYS HB3 H 1.822 . 2 74 429 11 LYS HG2 H 1.459 . 2 75 429 11 LYS HG3 H 1.455 0.005 2 76 429 11 LYS HD2 H 1.693 . 2 77 429 11 LYS HD3 H 1.687 0.004 2 78 429 11 LYS HE2 H 3.023 . 2 79 429 11 LYS HE3 H 3.019 0.005 2 80 430 12 ALA H H 8.368 0.001 1 81 430 12 ALA HA H 4.302 0.0 1 82 430 12 ALA HB H 1.397 0.001 1 83 431 13 LYS H H 8.318 0.001 1 84 431 13 LYS HA H 4.255 . 1 85 431 13 LYS HB2 H 1.773 . 2 86 431 13 LYS HB3 H 1.819 . 2 87 431 13 LYS HG2 H 1.460 0.01 2 88 431 13 LYS HG3 H 1.473 . 2 89 431 13 LYS HD2 H 1.687 0.004 2 90 431 13 LYS HD3 H 1.693 . 2 91 431 13 LYS HE2 H 3.018 0.005 2 92 431 13 LYS HE3 H 3.023 . 2 93 432 14 ALA H H 8.344 0.0 1 94 432 14 ALA HA H 4.315 0.001 1 95 432 14 ALA HB H 1.398 0.0 1 96 433 15 LEU H H 8.230 0.0 1 97 433 15 LEU HA H 4.293 0.001 1 98 433 15 LEU HB2 H 1.685 0.002 2 99 433 15 LEU HB3 H 1.684 . 2 100 433 15 LEU HG H 1.606 . 1 101 433 15 LEU HD1 H 0.892 0.0 2 102 433 15 LEU HD2 H 0.942 . 2 stop_ save_