data_25509 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N chemical shift assignments for APOBEC3G NTD variant, sNTD ; _BMRB_accession_number 25509 _BMRB_flat_file_name bmr25509.str _Entry_type original _Submission_date 2015-02-28 _Accession_date 2015-02-28 _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 Kouno Takahide . . 2 Luengas Elizabeth M. . 3 Shigematu Megumi . . 4 Shandilya Shivender M.D. . 5 Zhang JingYing . . 6 Chen Luan . . 7 Hara Mayuko . . 8 Schiffer Celia A. . 9 Harris Reuben S. . 10 Matsuo Hiroshi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 289 "13C chemical shifts" 317 "15N chemical shifts" 147 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-05-05 original BMRB . stop_ _Original_release_date 2015-05-05 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of the Vif-binding domain of the antiviral enzyme APOBEC3G ; _Citation_status submitted _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kono Takahide . . 2 Luengas Elizabeth M. . 3 Shigematu Megumi . . 4 Shandilya Shivender . . 5 Zhang JingYing . . 6 Chen Luan . . 7 Hara Mayuko . . 8 Schiffer Celia A. . 9 Harris Reuben S. . 10 Matsuo Hiroshi . . stop_ _Journal_abbreviation 'Nat. Struct. Mol. Biol.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'APOBEC3G NTD variant, sNTD' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity 'ZINC ION' $entity_ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common sNTD _Molecular_mass 21316.219 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 180 _Mol_residue_sequence ; MDPDTFSYNFNNRPILSRRN TVWLCYEVKTKGPSRPPLDA KIFRGQVYSEDKYHPEMRFL SLVSKWKLHRDQEYEVTWYI SWSPCTKCARDMATFLQENT HVTLTIFVARLYYAWDPDYQ EALRSLAQAGATIKIMNYDE FQHCWSKFVYSQGAPFQPWD GLDEHSQALSGRLGEILRHS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 PRO 4 ASP 5 THR 6 PHE 7 SER 8 TYR 9 ASN 10 PHE 11 ASN 12 ASN 13 ARG 14 PRO 15 ILE 16 LEU 17 SER 18 ARG 19 ARG 20 ASN 21 THR 22 VAL 23 TRP 24 LEU 25 CYS 26 TYR 27 GLU 28 VAL 29 LYS 30 THR 31 LYS 32 GLY 33 PRO 34 SER 35 ARG 36 PRO 37 PRO 38 LEU 39 ASP 40 ALA 41 LYS 42 ILE 43 PHE 44 ARG 45 GLY 46 GLN 47 VAL 48 TYR 49 SER 50 GLU 51 ASP 52 LYS 53 TYR 54 HIS 55 PRO 56 GLU 57 MET 58 ARG 59 PHE 60 LEU 61 SER 62 LEU 63 VAL 64 SER 65 LYS 66 TRP 67 LYS 68 LEU 69 HIS 70 ARG 71 ASP 72 GLN 73 GLU 74 TYR 75 GLU 76 VAL 77 THR 78 TRP 79 TYR 80 ILE 81 SER 82 TRP 83 SER 84 PRO 85 CYS 86 THR 87 LYS 88 CYS 89 ALA 90 ARG 91 ASP 92 MET 93 ALA 94 THR 95 PHE 96 LEU 97 GLN 98 GLU 99 ASN 100 THR 101 HIS 102 VAL 103 THR 104 LEU 105 THR 106 ILE 107 PHE 108 VAL 109 ALA 110 ARG 111 LEU 112 TYR 113 TYR 114 ALA 115 TRP 116 ASP 117 PRO 118 ASP 119 TYR 120 GLN 121 GLU 122 ALA 123 LEU 124 ARG 125 SER 126 LEU 127 ALA 128 GLN 129 ALA 130 GLY 131 ALA 132 THR 133 ILE 134 LYS 135 ILE 136 MET 137 ASN 138 TYR 139 ASP 140 GLU 141 PHE 142 GLN 143 HIS 144 CYS 145 TRP 146 SER 147 LYS 148 PHE 149 VAL 150 TYR 151 SER 152 GLN 153 GLY 154 ALA 155 PRO 156 PHE 157 GLN 158 PRO 159 TRP 160 ASP 161 GLY 162 LEU 163 ASP 164 GLU 165 HIS 166 SER 167 GLN 168 ALA 169 LEU 170 SER 171 GLY 172 ARG 173 LEU 174 GLY 175 GLU 176 ILE 177 LEU 178 ARG 179 HIS 180 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 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 2MZZ "Nmr Structure Of Apobec3g Ntd Variant, Sntd" 100.00 180 100.00 100.00 8.55e-133 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type NON-POLYMER _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity . . . . . . 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 $entity 'recombinant technology' . Escherichia coli . pCold-GST 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 $entity 0.15-0.20 mM '[U-100% 15N; U-85% 2H]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'Tween 20' 0.005 % 'natural abundance' TCEP 0.5 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'Choline o-sulfate' 0.5 M '[U-98% 2H]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.15-0.20 mM '[U-100% 13C; U-100% 15N; U-85% 2H]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'Tween 20' 0.005 % 'natural abundance' TCEP 0.5 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'Choline o-sulfate' 0.5 M '[U-98% 2H]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.05-0.10 mM '[U-100% 13C; U-100% 15N; U-60% 2H]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'Tween 20' 0.005 % 'natural abundance' TCEP 0.5 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'Choline o-sulfate' 0.5 M '[U-98% 2H]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.05-0.10 mM '[U-80% 2H; 100% 15N-Arg]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'Tween 20' 0.005 % 'natural abundance' TCEP 0.5 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'Choline o-sulfate' 0.5 M '[U-98% 2H]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.05-0.10 mM '[U-80% 2H; 100% 15N-Ile]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'Tween 20' 0.005 % 'natural abundance' TCEP 0.5 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'Choline o-sulfate' 0.5 M '[U-98% 2H]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.05-0.10 mM '[U-80% 2H; 100% 15N-Leu]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'Tween 20' 0.005 % 'natural abundance' TCEP 0.5 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'Choline o-sulfate' 0.5 M '[U-98% 2H]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_7 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.05-0.10 mM '[U-80% 2H; 100% 15N-Lys]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'Tween 20' 0.005 % 'natural abundance' TCEP 0.5 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'Choline o-sulfate' 0.5 M '[U-98% 2H]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_8 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.05-0.10 mM '[U-80% 2H; 100% 15N-Phe]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'Tween 20' 0.005 % 'natural abundance' TCEP 0.5 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'Choline o-sulfate' 0.5 M '[U-98% 2H]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_9 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.05-0.10 mM '[U-80% 2H; 100% 15N-Tyr]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'Tween 20' 0.005 % 'natural abundance' TCEP 0.5 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'Choline o-sulfate' 0.5 M '[U-98% 2H]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_10 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.05-0.10 mM '[U-80% 2H; 100% 1H, 100% 13C-Ala]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'Tween 20' 0.005 % 'natural abundance' TCEP 0.5 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'Choline o-sulfate' 0.5 M '[U-98% 2H]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_11 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.05-0.10 mM '[U-80% 2H; 100% 1H, 100% 13C-Arg]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'Tween 20' 0.005 % 'natural abundance' TCEP 0.5 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'Choline o-sulfate' 0.5 M '[U-98% 2H]' D2O 100 % 'natural abundance' stop_ save_ save_sample_12 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.05-0.10 mM '[U-80% 2H; 100% 1H, 100% 13C-Ile]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'Tween 20' 0.005 % 'natural abundance' TCEP 0.5 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'Choline o-sulfate' 0.5 M '[U-98% 2H]' D2O 100 % 'natural abundance' stop_ save_ save_sample_13 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.05-0.10 mM '[U-80% 2H; 100% 1H, 100% 13C-Leu]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'Tween 20' 0.005 % 'natural abundance' TCEP 0.5 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'Choline o-sulfate' 0.5 M '[U-98% 2H]' D2O 100 % 'natural abundance' stop_ save_ save_sample_14 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.05-0.10 mM '[U-80% 2H; 100% 1H, 100% 13C-Lys]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'Tween 20' 0.005 % 'natural abundance' TCEP 0.5 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'Choline o-sulfate' 0.5 M '[U-98% 2H]' D2O 100 % 'natural abundance' stop_ save_ save_sample_15 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.05-0.10 mM '[U-80% 2H; 100% 1H, 100% 13C-Met]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'Tween 20' 0.005 % 'natural abundance' TCEP 0.5 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'Choline o-sulfate' 0.5 M '[U-98% 2H]' D2O 100 % 'natural abundance' stop_ save_ save_sample_16 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.05-0.10 mM '[U-80% 2H; 100% 1H, 100% 13C-Phe]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'Tween 20' 0.005 % 'natural abundance' TCEP 0.5 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'Choline o-sulfate' 0.5 M '[U-98% 2H]' D2O 100 % 'natural abundance' stop_ save_ save_sample_17 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.05-0.10 mM '[U-80% 2H; 100% 1H, 100% 13C-Thr]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'Tween 20' 0.005 % 'natural abundance' TCEP 0.5 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'Choline o-sulfate' 0.5 M '[U-98% 2H]' D2O 100 % 'natural abundance' stop_ save_ save_sample_18 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.05-0.10 mM '[U-80% 2H; 100% 1H, 100% 13C-Tyr]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'Tween 20' 0.005 % 'natural abundance' TCEP 0.5 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'Choline o-sulfate' 0.5 M '[U-98% 2H]' D2O 100 % 'natural abundance' stop_ save_ save_sample_19 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.05-0.10 mM '[U-80% 2H; 100% 1H, 100% 13C-Val]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'Tween 20' 0.005 % 'natural abundance' TCEP 0.5 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'Choline o-sulfate' 0.5 M '[U-98% 2H]' D2O 100 % 'natural abundance' stop_ save_ save_sample_20 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.05-0.10 mM '[U-80% 2H; 100% 1H-Phe,Tyr,Ile]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'Tween 20' 0.005 % 'natural abundance' TCEP 0.5 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'Choline o-sulfate' 0.5 M '[U-98% 2H]' D2O 100 % 'natural abundance' stop_ save_ save_sample_21 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.05-0.10 mM '[U-80% 2H; 100% 1H-Phe,Tyr,Leu]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'Tween 20' 0.005 % 'natural abundance' TCEP 0.5 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'Choline o-sulfate' 0.5 M '[U-98% 2H]' D2O 100 % 'natural abundance' stop_ save_ save_sample_22 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.05-0.10 mM '[U-80% 2H; 100% 1H-Phe,Tyr,Val]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'Tween 20' 0.005 % 'natural abundance' TCEP 0.5 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'Choline o-sulfate' 0.5 M '[U-98% 2H]' D2O 100 % 'natural abundance' stop_ save_ save_sample_23 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.05-0.10 mM '[U-80% 2H; 100% 1H-Trp,Ile,Leu,Val]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'Tween 20' 0.005 % 'natural abundance' TCEP 0.5 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'Choline o-sulfate' 0.5 M '[U-98% 2H]' D2O 100 % 'natural abundance' stop_ save_ save_sample_24 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.15-0.20 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'Tween 20' 0.005 % 'natural abundance' TCEP 0.5 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'Choline o-sulfate' 0.5 M '[U-98% 2H]' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _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_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'estimation of dihedral angles' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'drawing structures' stop_ _Details . save_ save_MacPyMol _Saveframe_category software _Name MacPyMol _Version . loop_ _Vendor _Address _Electronic_address Schrodinger . . stop_ loop_ _Task 'drawing structures' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'evaluation of structure quality' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_1 save_ save_3D_HNCA-TROSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA-TROSY' _Sample_label $sample_2 save_ save_3D_HN(CO)CA-TROSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA-TROSY' _Sample_label $sample_2 save_ save_3D_HNCO-TROSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO-TROSY' _Sample_label $sample_2 save_ save_3D_HN(CA)CO-TROSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO-TROSY' _Sample_label $sample_2 save_ save_3D_HNCACB-TROSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB-TROSY' _Sample_label $sample_2 save_ save_3D_HN(CO)CACB-TROSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB-TROSY' _Sample_label $sample_2 save_ save_3D_15N-edited_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY' _Sample_label $sample_3 save_ save_2D_1H-15N_TROSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_4 save_ save_2D_1H-15N_TROSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_5 save_ save_2D_1H-15N_TROSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_6 save_ save_2D_1H-15N_TROSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_7 save_ save_2D_1H-15N_TROSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_8 save_ save_2D_1H-15N_TROSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_9 save_ save_2D_1H-13C_HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_10 save_ save_2D_1H-13C_HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_11 save_ save_2D_1H-13C_HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_12 save_ save_2D_1H-13C_HSQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_13 save_ save_2D_1H-13C_HSQC_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_14 save_ save_2D_1H-13C_HSQC_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_15 save_ save_2D_1H-13C_HSQC_21 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_16 save_ save_2D_1H-13C_HSQC_22 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_17 save_ save_2D_1H-13C_HSQC_23 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_18 save_ save_2D_1H-13C_HSQC_24 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_19 save_ save_2D_1H-1H_NOESY_25 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_10 save_ save_2D_1H-1H_NOESY_26 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_11 save_ save_2D_1H-1H_NOESY_27 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_12 save_ save_2D_1H-1H_NOESY_28 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_13 save_ save_2D_1H-1H_NOESY_29 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_14 save_ save_2D_1H-1H_NOESY_30 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_15 save_ save_2D_1H-1H_NOESY_31 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_16 save_ save_2D_1H-1H_NOESY_32 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_17 save_ save_2D_1H-1H_NOESY_33 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_18 save_ save_2D_1H-1H_NOESY_34 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_19 save_ save_2D_1H-1H_NOESY_35 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_20 save_ save_2D_1H-1H_NOESY_36 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_21 save_ save_2D_1H-1H_NOESY_37 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_22 save_ save_2D_1H-1H_NOESY_38 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_23 save_ save_2D_1H-1H_NOESY_39 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_24 save_ save_3D_1H-13C_NOESY_40 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.3 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_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 DSS C 13 'methyl protons' ppm 0 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N TROSY' '3D HNCA-TROSY' '3D HN(CO)CA-TROSY' '3D HNCO-TROSY' '3D HN(CA)CO-TROSY' '3D HNCACB-TROSY' '3D HN(CO)CACB-TROSY' '3D 15N-edited NOESY' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 $sample_5 $sample_6 $sample_7 $sample_8 $sample_9 $sample_10 $sample_11 $sample_12 $sample_13 $sample_14 $sample_15 $sample_16 $sample_17 $sample_18 $sample_19 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _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 1 1 MET HA H 4.275 0.01 1 2 1 1 MET H H 8.534 0.01 1 3 1 1 MET C C 174.618 0.97 1 4 1 1 MET CA C 55.681 0.97 1 5 1 1 MET N N 121.285 0.56 1 6 2 2 ASP H H 8.114 0.01 1 7 2 2 ASP C C 174.657 0.97 1 8 2 2 ASP CA C 52.100 0.97 1 9 2 2 ASP N N 123.241 0.56 1 10 3 3 PRO C C 178.464 0.97 1 11 3 3 PRO CA C 66.499 0.97 1 12 4 4 ASP H H 8.509 0.01 1 13 4 4 ASP HA H 4.448 0.01 1 14 4 4 ASP C C 178.808 0.97 1 15 4 4 ASP CA C 57.247 0.97 1 16 4 4 ASP N N 118.258 0.56 1 17 5 5 THR H H 8.150 0.01 1 18 5 5 THR HA H 3.859 0.01 1 19 5 5 THR C C 177.699 0.97 1 20 5 5 THR CA C 66.182 0.97 1 21 5 5 THR N N 119.780 0.56 1 22 6 6 PHE H H 8.297 0.01 1 23 6 6 PHE HA H 4.204 0.01 1 24 6 6 PHE C C 176.665 0.97 1 25 6 6 PHE CA C 61.800 0.97 1 26 6 6 PHE N N 124.329 0.56 1 27 7 7 SER H H 8.752 0.01 1 28 7 7 SER C C 176.138 0.97 1 29 7 7 SER CA C 61.480 0.97 1 30 7 7 SER N N 116.185 0.56 1 31 8 8 TYR H H 7.967 0.01 1 32 8 8 TYR HA H 4.047 0.01 1 33 8 8 TYR C C 177.077 0.97 1 34 8 8 TYR CA C 60.282 0.97 1 35 8 8 TYR N N 118.689 0.56 1 36 9 9 ASN H H 7.577 0.01 1 37 9 9 ASN HA H 4.230 0.01 1 38 9 9 ASN C C 175.101 0.97 1 39 9 9 ASN CA C 56.087 0.97 1 40 9 9 ASN N N 113.034 0.56 1 41 10 10 PHE H H 8.655 0.01 1 42 10 10 PHE HA H 3.876 0.01 1 43 10 10 PHE C C 171.880 0.97 1 44 10 10 PHE CA C 58.762 0.97 1 45 10 10 PHE N N 117.719 0.56 1 46 11 11 ASN H H 6.097 0.01 1 47 11 11 ASN C C 174.730 0.97 1 48 11 11 ASN CA C 53.439 0.97 1 49 11 11 ASN N N 114.885 0.56 1 50 12 12 ASN H H 6.688 0.01 1 51 12 12 ASN HA H 4.365 0.01 1 52 12 12 ASN C C 174.578 0.97 1 53 12 12 ASN CA C 51.417 0.97 1 54 12 12 ASN N N 121.039 0.56 1 55 13 13 ARG H H 7.589 0.01 1 56 13 13 ARG HA H 3.588 0.01 1 57 13 13 ARG C C 175.049 0.97 1 58 13 13 ARG CA C 54.330 0.97 1 59 13 13 ARG N N 119.646 0.56 1 60 14 14 PRO C C 176.477 0.97 1 61 14 14 PRO CA C 63.180 0.97 1 62 15 15 ILE H H 7.827 0.01 1 63 15 15 ILE HA H 4.283 0.01 1 64 15 15 ILE C C 175.956 0.97 1 65 15 15 ILE CA C 60.026 0.97 1 66 15 15 ILE N N 120.304 0.56 1 67 16 16 LEU H H 8.283 0.01 1 68 16 16 LEU HA H 4.301 0.01 1 69 16 16 LEU C C 177.213 0.97 1 70 16 16 LEU CA C 55.089 0.97 1 71 16 16 LEU N N 124.585 0.56 1 72 17 17 SER H H 7.782 0.01 1 73 17 17 SER C C 173.733 0.97 1 74 17 17 SER CA C 57.371 0.97 1 75 17 17 SER N N 115.176 0.56 1 76 18 18 ARG H H 8.318 0.01 1 77 18 18 ARG HA H 4.204 0.01 1 78 18 18 ARG C C 176.524 0.97 1 79 18 18 ARG CA C 55.944 0.97 1 80 18 18 ARG N N 122.072 0.56 1 81 21 21 THR HA H 4.574 0.01 1 82 22 22 VAL HA H 4.030 0.01 1 83 22 22 VAL CA C 61.772 0.97 1 84 24 24 LEU HA H 5.079 0.01 1 85 24 24 LEU C C 174.326 0.97 1 86 24 24 LEU CA C 54.203 0.97 1 87 25 25 CYS H H 9.325 0.01 1 88 25 25 CYS HA H 4.699 0.01 1 89 25 25 CYS C C 173.285 0.97 1 90 25 25 CYS CA C 57.086 0.97 1 91 25 25 CYS N N 126.908 0.56 1 92 26 26 TYR H H 9.039 0.01 1 93 26 26 TYR HA H 6.300 0.01 1 94 26 26 TYR C C 173.449 0.97 1 95 26 26 TYR CA C 54.582 0.97 1 96 26 26 TYR N N 120.745 0.56 1 97 27 27 GLU H H 9.358 0.01 1 98 27 27 GLU C C 175.348 0.97 1 99 27 27 GLU CA C 54.548 0.97 1 100 27 27 GLU N N 118.222 0.56 1 101 28 28 VAL H H 9.479 0.01 1 102 28 28 VAL HA H 4.914 0.01 1 103 28 28 VAL C C 174.085 0.97 1 104 28 28 VAL CA C 61.231 0.97 1 105 28 28 VAL N N 124.182 0.56 1 106 29 29 LYS H H 9.151 0.01 1 107 29 29 LYS HA H 5.391 0.01 1 108 29 29 LYS C C 175.631 0.97 1 109 29 29 LYS CA C 54.136 0.97 1 110 29 29 LYS N N 127.566 0.56 1 111 30 30 THR H H 8.615 0.01 1 112 30 30 THR HA H 4.617 0.01 1 113 30 30 THR C C 173.948 0.97 1 114 30 30 THR CA C 61.228 0.97 1 115 30 30 THR N N 118.721 0.56 1 116 31 31 LYS H H 8.400 0.01 1 117 31 31 LYS HA H 3.868 0.01 1 118 31 31 LYS C C 176.799 0.97 1 119 31 31 LYS CA C 56.250 0.97 1 120 31 31 LYS N N 125.634 0.56 1 121 32 32 GLY H H 8.170 0.01 1 122 32 32 GLY C C 171.007 0.97 1 123 32 32 GLY CA C 44.006 0.97 1 124 32 32 GLY N N 111.069 0.56 1 125 33 33 PRO C C 176.964 0.97 1 126 33 33 PRO CA C 62.675 0.97 1 127 34 34 SER H H 8.383 0.01 1 128 34 34 SER HA H 4.372 0.01 1 129 34 34 SER C C 173.728 0.97 1 130 34 34 SER CA C 57.933 0.97 1 131 34 34 SER N N 117.301 0.56 1 132 35 35 ARG H H 8.153 0.01 1 133 35 35 ARG HA H 4.572 0.01 1 134 35 35 ARG C C 173.256 0.97 1 135 35 35 ARG CA C 53.217 0.97 1 136 35 35 ARG N N 123.829 0.56 1 137 37 37 PRO C C 176.060 0.97 1 138 37 37 PRO CA C 63.234 0.97 1 139 38 38 LEU H H 8.347 0.01 1 140 38 38 LEU HA H 4.139 0.01 1 141 38 38 LEU C C 176.490 0.97 1 142 38 38 LEU CA C 55.202 0.97 1 143 38 38 LEU N N 126.508 0.56 1 144 39 39 ASP H H 8.299 0.01 1 145 39 39 ASP HA H 4.371 0.01 1 146 39 39 ASP C C 175.525 0.97 1 147 39 39 ASP CA C 53.948 0.97 1 148 39 39 ASP N N 120.060 0.56 1 149 40 40 ALA H H 7.972 0.01 1 150 40 40 ALA HA H 4.366 0.01 1 151 40 40 ALA C C 177.243 0.97 1 152 40 40 ALA CA C 51.583 0.97 1 153 40 40 ALA N N 123.020 0.56 1 154 41 41 LYS H H 8.286 0.01 1 155 41 41 LYS HA H 4.350 0.01 1 156 41 41 LYS C C 175.874 0.97 1 157 41 41 LYS CA C 56.520 0.97 1 158 41 41 LYS N N 120.582 0.56 1 159 42 42 ILE H H 7.830 0.01 1 160 42 42 ILE HA H 4.878 0.01 1 161 42 42 ILE C C 174.828 0.97 1 162 42 42 ILE CA C 59.878 0.97 1 163 42 42 ILE N N 119.815 0.56 1 164 43 43 PHE H H 8.780 0.01 1 165 43 43 PHE HA H 4.885 0.01 1 166 43 43 PHE C C 173.801 0.97 1 167 43 43 PHE CA C 56.273 0.97 1 168 43 43 PHE N N 126.131 0.56 1 169 44 44 ARG H H 8.368 0.01 1 170 44 44 ARG HA H 5.506 0.01 1 171 44 44 ARG C C 175.196 0.97 1 172 44 44 ARG CA C 54.267 0.97 1 173 44 44 ARG N N 122.879 0.56 1 174 45 45 GLY H H 7.714 0.01 1 175 45 45 GLY C C 169.838 0.97 1 176 45 45 GLY CA C 44.841 0.97 1 177 45 45 GLY N N 108.917 0.56 1 178 46 46 GLN H H 8.411 0.01 1 179 46 46 GLN HA H 5.607 0.01 1 180 46 46 GLN C C 174.884 0.97 1 181 46 46 GLN CA C 53.906 0.97 1 182 46 46 GLN N N 113.774 0.56 1 183 47 47 VAL H H 9.499 0.01 1 184 47 47 VAL HA H 4.375 0.01 1 185 47 47 VAL C C 172.005 0.97 1 186 47 47 VAL CA C 59.977 0.97 1 187 47 47 VAL N N 120.282 0.56 1 188 49 49 SER C C 173.486 0.97 1 189 49 49 SER CA C 57.077 0.97 1 190 50 50 GLU H H 8.748 0.01 1 191 50 50 GLU C C 175.276 0.97 1 192 50 50 GLU CA C 54.505 0.97 1 193 50 50 GLU N N 123.998 0.56 1 194 51 51 ASP H H 8.479 0.01 1 195 51 51 ASP C C 176.320 0.97 1 196 51 51 ASP CA C 52.910 0.97 1 197 51 51 ASP N N 123.737 0.56 1 198 52 52 LYS H H 7.677 0.01 1 199 52 52 LYS HA H 4.132 0.01 1 200 52 52 LYS C C 175.538 0.97 1 201 52 52 LYS CA C 57.089 0.97 1 202 52 52 LYS N N 114.578 0.56 1 203 53 53 TYR H H 8.490 0.01 1 204 53 53 TYR HA H 4.770 0.01 1 205 53 53 TYR C C 175.498 0.97 1 206 53 53 TYR CA C 53.507 0.97 1 207 53 53 TYR N N 124.836 0.56 1 208 54 54 HIS H H 8.622 0.01 1 209 54 54 HIS HA H 4.756 0.01 1 210 54 54 HIS C C 174.123 0.97 1 211 54 54 HIS CA C 53.734 0.97 1 212 54 54 HIS N N 128.974 0.56 1 213 56 56 GLU C C 178.356 0.97 1 214 56 56 GLU CA C 60.597 0.97 1 215 57 57 MET H H 6.807 0.01 1 216 57 57 MET HA H 4.433 0.01 1 217 57 57 MET C C 180.454 0.97 1 218 57 57 MET CA C 55.453 0.97 1 219 57 57 MET N N 113.971 0.56 1 220 58 58 ARG H H 7.658 0.01 1 221 58 58 ARG HA H 3.764 0.01 1 222 58 58 ARG C C 179.588 0.97 1 223 58 58 ARG CA C 58.505 0.97 1 224 58 58 ARG N N 123.367 0.56 1 225 59 59 PHE H H 8.925 0.01 1 226 59 59 PHE HA H 3.558 0.01 1 227 59 59 PHE C C 175.915 0.97 1 228 59 59 PHE CA C 61.355 0.97 1 229 59 59 PHE N N 121.256 0.56 1 230 60 60 LEU H H 7.587 0.01 1 231 60 60 LEU HA H 3.472 0.01 1 232 60 60 LEU C C 179.572 0.97 1 233 60 60 LEU CA C 57.365 0.97 1 234 60 60 LEU N N 118.280 0.56 1 235 61 61 SER H H 7.479 0.01 1 236 61 61 SER HA H 4.053 0.01 1 237 61 61 SER C C 176.822 0.97 1 238 61 61 SER CA C 60.923 0.97 1 239 61 61 SER N N 115.099 0.56 1 240 62 62 LEU H H 7.302 0.01 1 241 62 62 LEU HA H 3.394 0.01 1 242 62 62 LEU C C 177.319 0.97 1 243 62 62 LEU CA C 56.877 0.97 1 244 62 62 LEU N N 123.881 0.56 1 245 63 63 VAL H H 7.039 0.01 1 246 63 63 VAL HA H 2.679 0.01 1 247 63 63 VAL C C 178.913 0.97 1 248 63 63 VAL CA C 64.567 0.97 1 249 63 63 VAL N N 115.745 0.56 1 250 64 64 SER H H 7.205 0.01 1 251 64 64 SER C C 176.376 0.97 1 252 64 64 SER CA C 60.925 0.97 1 253 64 64 SER N N 114.324 0.56 1 254 65 65 LYS H H 7.294 0.01 1 255 65 65 LYS HA H 4.075 0.01 1 256 65 65 LYS C C 178.346 0.97 1 257 65 65 LYS CA C 57.294 0.97 1 258 65 65 LYS N N 121.823 0.56 1 259 66 66 TRP H H 7.834 0.01 1 260 66 66 TRP HA H 4.474 0.01 1 261 66 66 TRP CA C 56.009 0.97 1 262 66 66 TRP N N 120.291 0.56 1 263 69 69 HIS C C 176.475 0.97 1 264 69 69 HIS CA C 56.029 0.97 1 265 70 70 ARG H H 8.527 0.01 1 266 70 70 ARG HA H 3.497 0.01 1 267 70 70 ARG C C 175.806 0.97 1 268 70 70 ARG CA C 57.342 0.97 1 269 70 70 ARG N N 121.733 0.56 1 270 71 71 ASP H H 8.599 0.01 1 271 71 71 ASP C C 175.213 0.97 1 272 71 71 ASP CA C 53.027 0.97 1 273 71 71 ASP N N 116.800 0.56 1 274 72 72 GLN H H 7.629 0.01 1 275 72 72 GLN HA H 4.522 0.01 1 276 72 72 GLN C C 172.972 0.97 1 277 72 72 GLN CA C 53.807 0.97 1 278 72 72 GLN N N 119.761 0.56 1 279 73 73 GLU H H 7.984 0.01 1 280 73 73 GLU C C 176.011 0.97 1 281 73 73 GLU CA C 54.896 0.97 1 282 73 73 GLU N N 117.994 0.56 1 283 74 74 TYR H H 8.860 0.01 1 284 74 74 TYR HA H 5.123 0.01 1 285 74 74 TYR C C 174.675 0.97 1 286 74 74 TYR CA C 56.742 0.97 1 287 74 74 TYR N N 120.098 0.56 1 288 75 75 GLU H H 9.321 0.01 1 289 75 75 GLU HA H 4.893 0.01 1 290 75 75 GLU C C 175.614 0.97 1 291 75 75 GLU CA C 54.571 0.97 1 292 75 75 GLU N N 123.539 0.56 1 293 76 76 VAL H H 9.399 0.01 1 294 76 76 VAL HA H 5.186 0.01 1 295 76 76 VAL C C 175.004 0.97 1 296 76 76 VAL CA C 60.376 0.97 1 297 76 76 VAL N N 128.647 0.56 1 298 77 77 THR H H 9.597 0.01 1 299 77 77 THR HA H 5.223 0.01 1 300 77 77 THR C C 173.353 0.97 1 301 77 77 THR CA C 61.442 0.97 1 302 77 77 THR N N 126.297 0.56 1 303 78 78 TRP H H 9.173 0.01 1 304 78 78 TRP HA H 5.670 0.01 1 305 78 78 TRP C C 174.723 0.97 1 306 78 78 TRP CA C 48.205 0.97 1 307 78 78 TRP N N 125.914 0.56 1 308 79 79 TYR H H 9.322 0.01 1 309 79 79 TYR HA H 5.317 0.01 1 310 79 79 TYR CA C 56.699 0.97 1 311 79 79 TYR N N 120.962 0.56 1 312 80 80 ILE H H 9.634 0.01 1 313 80 80 ILE HA H 5.929 0.01 1 314 80 80 ILE CA C 43.836 0.97 1 315 80 80 ILE N N 125.201 0.56 1 316 86 86 THR HA H 3.629 0.01 1 317 86 86 THR C C 175.273 0.97 1 318 86 86 THR CA C 60.845 0.97 1 319 87 87 LYS H H 7.728 0.01 1 320 87 87 LYS HA H 3.943 0.01 1 321 87 87 LYS C C 178.969 0.97 1 322 87 87 LYS CA C 59.326 0.97 1 323 87 87 LYS N N 121.904 0.56 1 324 88 88 CYS H H 8.717 0.01 1 325 88 88 CYS HA H 3.934 0.01 1 326 88 88 CYS C C 178.168 0.97 1 327 88 88 CYS CA C 65.201 0.97 1 328 88 88 CYS N N 121.877 0.56 1 329 89 89 ALA H H 9.009 0.01 1 330 89 89 ALA HA H 3.889 0.01 1 331 89 89 ALA C C 179.782 0.97 1 332 89 89 ALA CA C 55.300 0.97 1 333 89 89 ALA N N 120.872 0.56 1 334 90 90 ARG H H 7.912 0.01 1 335 90 90 ARG HA H 3.985 0.01 1 336 90 90 ARG C C 179.333 0.97 1 337 90 90 ARG CA C 59.353 0.97 1 338 90 90 ARG N N 117.797 0.56 1 339 91 91 ASP H H 8.413 0.01 1 340 91 91 ASP HA H 4.475 0.01 1 341 91 91 ASP C C 180.593 0.97 1 342 91 91 ASP CA C 57.329 0.97 1 343 91 91 ASP N N 121.892 0.56 1 344 92 92 MET H H 8.986 0.01 1 345 92 92 MET HA H 4.453 0.01 1 346 92 92 MET C C 177.594 0.97 1 347 92 92 MET CA C 56.255 0.97 1 348 92 92 MET N N 121.165 0.56 1 349 93 93 ALA H H 8.090 0.01 1 350 93 93 ALA HA H 3.818 0.01 1 351 93 93 ALA C C 179.351 0.97 1 352 93 93 ALA CA C 55.459 0.97 1 353 93 93 ALA N N 124.315 0.56 1 354 94 94 THR H H 7.908 0.01 1 355 94 94 THR HA H 3.854 0.01 1 356 94 94 THR C C 175.971 0.97 1 357 94 94 THR CA C 66.140 0.97 1 358 94 94 THR N N 115.375 0.56 1 359 95 95 PHE H H 7.845 0.01 1 360 95 95 PHE HA H 4.189 0.01 1 361 95 95 PHE C C 178.456 0.97 1 362 95 95 PHE CA C 61.307 0.97 1 363 95 95 PHE N N 121.559 0.56 1 364 96 96 LEU H H 8.493 0.01 1 365 96 96 LEU HA H 3.751 0.01 1 366 96 96 LEU C C 179.846 0.97 1 367 96 96 LEU CA C 57.121 0.97 1 368 96 96 LEU N N 120.614 0.56 1 369 97 97 GLN H H 7.971 0.01 1 370 97 97 GLN HA H 4.072 0.01 1 371 97 97 GLN C C 177.940 0.97 1 372 97 97 GLN CA C 57.989 0.97 1 373 97 97 GLN N N 118.135 0.56 1 374 98 98 GLU H H 7.473 0.01 1 375 98 98 GLU HA H 4.222 0.01 1 376 98 98 GLU C C 176.364 0.97 1 377 98 98 GLU CA C 56.465 0.97 1 378 98 98 GLU N N 115.676 0.56 1 379 99 99 ASN H H 7.520 0.01 1 380 99 99 ASN HA H 4.986 0.01 1 381 99 99 ASN C C 174.155 0.97 1 382 99 99 ASN CA C 51.958 0.97 1 383 99 99 ASN N N 121.312 0.56 1 384 100 100 THR H H 7.985 0.01 1 385 100 100 THR HA H 4.438 0.01 1 386 100 100 THR C C 174.600 0.97 1 387 100 100 THR CA C 63.613 0.97 1 388 100 100 THR N N 111.032 0.56 1 389 101 101 HIS C C 173.419 0.97 1 390 101 101 HIS CA C 56.546 0.97 1 391 102 102 VAL H H 7.561 0.01 1 392 102 102 VAL HA H 4.643 0.01 1 393 102 102 VAL C C 174.248 0.97 1 394 102 102 VAL CA C 61.015 0.97 1 395 102 102 VAL N N 123.373 0.56 1 396 103 103 THR H H 8.370 0.01 1 397 103 103 THR HA H 4.702 0.01 1 398 103 103 THR C C 173.198 0.97 1 399 103 103 THR CA C 59.956 0.97 1 400 103 103 THR N N 119.261 0.56 1 401 104 104 LEU H H 9.373 0.01 1 402 104 104 LEU HA H 5.123 0.01 1 403 104 104 LEU C C 175.009 0.97 1 404 104 104 LEU CA C 53.231 0.97 1 405 104 104 LEU N N 128.085 0.56 1 406 105 105 THR H H 8.561 0.01 1 407 105 105 THR HA H 4.560 0.01 1 408 105 105 THR C C 171.873 0.97 1 409 105 105 THR CA C 61.546 0.97 1 410 105 105 THR N N 126.064 0.56 1 411 106 106 ILE H H 9.190 0.01 1 412 106 106 ILE HA H 4.207 0.01 1 413 106 106 ILE C C 172.536 0.97 1 414 106 106 ILE CA C 59.887 0.97 1 415 106 106 ILE N N 125.679 0.56 1 416 107 107 PHE H H 9.135 0.01 1 417 107 107 PHE HA H 5.256 0.01 1 418 107 107 PHE C C 175.694 0.97 1 419 107 107 PHE CA C 56.342 0.97 1 420 107 107 PHE N N 126.337 0.56 1 421 108 108 VAL H H 8.936 0.01 1 422 108 108 VAL HA H 5.020 0.01 1 423 108 108 VAL C C 176.539 0.97 1 424 108 108 VAL CA C 58.498 0.97 1 425 108 108 VAL N N 118.789 0.56 1 426 109 109 ALA H H 8.509 0.01 1 427 109 109 ALA HA H 4.524 0.01 1 428 109 109 ALA C C 175.933 0.97 1 429 109 109 ALA CA C 55.038 0.97 1 430 109 109 ALA N N 129.108 0.56 1 431 110 110 ARG H H 6.677 0.01 1 432 110 110 ARG HA H 4.505 0.01 1 433 110 110 ARG C C 175.120 0.97 1 434 110 110 ARG CA C 54.555 0.97 1 435 110 110 ARG N N 110.165 0.56 1 436 111 111 LEU H H 7.031 0.01 1 437 111 111 LEU HA H 4.515 0.01 1 438 111 111 LEU CA C 53.198 0.97 1 439 111 111 LEU N N 119.767 0.56 1 440 117 117 PRO C C 178.666 0.97 1 441 117 117 PRO CA C 64.996 0.97 1 442 118 118 ASP H H 8.215 0.01 1 443 118 118 ASP HA H 4.434 0.01 1 444 118 118 ASP C C 178.263 0.97 1 445 118 118 ASP CA C 56.740 0.97 1 446 118 118 ASP N N 118.659 0.56 1 447 119 119 TYR H H 7.994 0.01 1 448 119 119 TYR HA H 4.204 0.01 1 449 119 119 TYR C C 177.538 0.97 1 450 119 119 TYR CA C 60.942 0.97 1 451 119 119 TYR N N 122.818 0.56 1 452 120 120 GLN H H 7.898 0.01 1 453 120 120 GLN HA H 3.508 0.01 1 454 120 120 GLN C C 177.702 0.97 1 455 120 120 GLN CA C 58.986 0.97 1 456 120 120 GLN N N 117.143 0.56 1 457 121 121 GLU H H 7.829 0.01 1 458 121 121 GLU HA H 3.891 0.01 1 459 121 121 GLU C C 178.815 0.97 1 460 121 121 GLU CA C 58.603 0.97 1 461 121 121 GLU N N 117.707 0.56 1 462 122 122 ALA H H 7.881 0.01 1 463 122 122 ALA HA H 3.900 0.01 1 464 122 122 ALA C C 180.296 0.97 1 465 122 122 ALA CA C 54.949 0.97 1 466 122 122 ALA N N 123.710 0.56 1 467 123 123 LEU H H 8.073 0.01 1 468 123 123 LEU HA H 3.791 0.01 1 469 123 123 LEU C C 179.075 0.97 1 470 123 123 LEU CA C 57.537 0.97 1 471 123 123 LEU N N 119.307 0.56 1 472 124 124 ARG H H 8.074 0.01 1 473 124 124 ARG HA H 3.832 0.01 1 474 124 124 ARG C C 179.745 0.97 1 475 124 124 ARG CA C 60.155 0.97 1 476 124 124 ARG N N 118.146 0.56 1 477 125 125 SER H H 8.471 0.01 1 478 125 125 SER HA H 4.151 0.01 1 479 125 125 SER C C 176.389 0.97 1 480 125 125 SER CA C 54.752 0.97 1 481 125 125 SER N N 117.399 0.56 1 482 126 126 LEU H H 7.621 0.01 1 483 126 126 LEU HA H 3.970 0.01 1 484 126 126 LEU C C 177.721 0.97 1 485 126 126 LEU CA C 57.423 0.97 1 486 126 126 LEU N N 125.924 0.56 1 487 127 127 ALA H H 7.973 0.01 1 488 127 127 ALA HA H 4.676 0.01 1 489 127 127 ALA C C 182.614 0.97 1 490 127 127 ALA CA C 53.974 0.97 1 491 127 127 ALA N N 122.932 0.56 1 492 128 128 GLN H H 8.690 0.01 1 493 128 128 GLN HA H 4.029 0.01 1 494 128 128 GLN C C 177.613 0.97 1 495 128 128 GLN CA C 58.051 0.97 1 496 128 128 GLN N N 120.408 0.56 1 497 129 129 ALA H H 7.542 0.01 1 498 129 129 ALA HA H 4.283 0.01 1 499 129 129 ALA C C 177.019 0.97 1 500 129 129 ALA CA C 52.171 0.97 1 501 129 129 ALA N N 120.391 0.56 1 502 130 130 GLY H H 7.760 0.01 1 503 130 130 GLY HA2 H 3.607 0.01 1 504 130 130 GLY HA3 H 4.383 0.01 1 505 130 130 GLY C C 175.291 0.97 1 506 130 130 GLY CA C 44.275 0.97 1 507 130 130 GLY N N 104.533 0.56 1 508 131 131 ALA H H 7.543 0.01 1 509 131 131 ALA HA H 4.587 0.01 1 510 131 131 ALA C C 177.045 0.97 1 511 131 131 ALA CA C 51.614 0.97 1 512 131 131 ALA N N 124.759 0.56 1 513 132 132 THR H H 7.983 0.01 1 514 132 132 THR HA H 4.293 0.01 1 515 132 132 THR C C 172.940 0.97 1 516 132 132 THR CA C 62.285 0.97 1 517 132 132 THR N N 120.565 0.56 1 518 133 133 ILE H H 8.641 0.01 1 519 133 133 ILE HA H 4.705 0.01 1 520 133 133 ILE C C 173.707 0.97 1 521 133 133 ILE CA C 59.898 0.97 1 522 133 133 ILE N N 128.874 0.56 1 523 134 134 LYS H H 8.878 0.01 1 524 134 134 LYS HA H 4.490 0.01 1 525 134 134 LYS C C 174.736 0.97 1 526 134 134 LYS CA C 53.906 0.97 1 527 134 134 LYS N N 125.904 0.56 1 528 135 135 ILE H H 8.601 0.01 1 529 135 135 ILE HA H 4.644 0.01 1 530 135 135 ILE C C 177.563 0.97 1 531 135 135 ILE CA C 56.834 0.97 1 532 135 135 ILE N N 121.444 0.56 1 533 136 136 MET H H 8.550 0.01 1 534 136 136 MET HA H 3.741 0.01 1 535 136 136 MET C C 174.070 0.97 1 536 136 136 MET CA C 58.298 0.97 1 537 136 136 MET N N 124.557 0.56 1 538 137 137 ASN H H 9.480 0.01 1 539 137 137 ASN HA H 5.008 0.01 1 540 137 137 ASN C C 174.733 0.97 1 541 137 137 ASN CA C 50.894 0.97 1 542 137 137 ASN N N 126.678 0.56 1 543 138 138 TYR H H 9.914 0.01 1 544 138 138 TYR HA H 3.841 0.01 1 545 138 138 TYR C C 176.154 0.97 1 546 138 138 TYR CA C 63.811 0.97 1 547 138 138 TYR N N 123.587 0.56 1 548 139 139 ASP H H 8.976 0.01 1 549 139 139 ASP HA H 4.116 0.01 1 550 139 139 ASP C C 179.067 0.97 1 551 139 139 ASP CA C 57.491 0.97 1 552 139 139 ASP N N 116.024 0.56 1 553 140 140 GLU H H 7.540 0.01 1 554 140 140 GLU HA H 3.826 0.01 1 555 140 140 GLU C C 178.692 0.97 1 556 140 140 GLU CA C 60.600 0.97 1 557 140 140 GLU N N 118.087 0.56 1 558 141 141 PHE H H 8.032 0.01 1 559 141 141 PHE HA H 3.788 0.01 1 560 141 141 PHE C C 176.881 0.97 1 561 141 141 PHE CA C 62.703 0.97 1 562 141 141 PHE N N 119.608 0.56 1 563 142 142 GLN H H 8.223 0.01 1 564 142 142 GLN HA H 4.021 0.01 1 565 142 142 GLN C C 177.945 0.97 1 566 142 142 GLN CA C 58.779 0.97 1 567 142 142 GLN N N 118.759 0.56 1 568 143 143 HIS H H 7.924 0.01 1 569 143 143 HIS HA H 3.978 0.01 1 570 143 143 HIS C C 177.147 0.97 1 571 143 143 HIS CA C 59.367 0.97 1 572 143 143 HIS N N 120.774 0.56 1 573 144 144 CYS H H 7.892 0.01 1 574 144 144 CYS HA H 3.838 0.01 1 575 144 144 CYS C C 176.233 0.97 1 576 144 144 CYS CA C 62.852 0.97 1 577 144 144 CYS N N 117.600 0.56 1 578 145 145 TRP H H 8.201 0.01 1 579 145 145 TRP HA H 3.269 0.01 1 580 145 145 TRP C C 177.085 0.97 1 581 145 145 TRP CA C 59.453 0.97 1 582 145 145 TRP N N 120.806 0.56 1 583 146 146 SER H H 8.032 0.01 1 584 146 146 SER C C 176.199 0.97 1 585 146 146 SER CA C 60.827 0.97 1 586 146 146 SER N N 111.555 0.56 1 587 147 147 LYS H H 7.684 0.01 1 588 147 147 LYS HA H 3.974 0.01 1 589 147 147 LYS C C 177.448 0.97 1 590 147 147 LYS CA C 55.464 0.97 1 591 147 147 LYS N N 115.563 0.56 1 592 148 148 PHE H H 8.134 0.01 1 593 148 148 PHE HA H 4.477 0.01 1 594 148 148 PHE C C 174.293 0.97 1 595 148 148 PHE CA C 58.180 0.97 1 596 148 148 PHE N N 113.648 0.56 1 597 149 149 VAL H H 6.787 0.01 1 598 149 149 VAL HA H 4.109 0.01 1 599 149 149 VAL C C 175.690 0.97 1 600 149 149 VAL CA C 60.309 0.97 1 601 149 149 VAL N N 119.139 0.56 1 602 150 150 TYR H H 8.552 0.01 1 603 150 150 TYR HA H 4.564 0.01 1 604 150 150 TYR C C 173.826 0.97 1 605 150 150 TYR CA C 55.580 0.97 1 606 150 150 TYR N N 129.042 0.56 1 607 151 151 SER H H 7.787 0.01 1 608 151 151 SER HA H 4.585 0.01 1 609 151 151 SER C C 176.209 0.97 1 610 151 151 SER CA C 57.497 0.97 1 611 151 151 SER N N 119.931 0.56 1 612 152 152 GLN H H 8.386 0.01 1 613 152 152 GLN HA H 3.715 0.01 1 614 152 152 GLN C C 175.787 0.97 1 615 152 152 GLN CA C 56.476 0.97 1 616 152 152 GLN N N 120.381 0.56 1 617 153 153 GLY H H 8.047 0.01 1 618 153 153 GLY HA2 H 3.531 0.01 1 619 153 153 GLY HA3 H 4.043 0.01 1 620 153 153 GLY C C 174.309 0.97 1 621 153 153 GLY CA C 44.902 0.97 1 622 153 153 GLY N N 106.086 0.56 1 623 154 154 ALA H H 7.562 0.01 1 624 154 154 ALA HA H 4.582 0.01 1 625 154 154 ALA C C 176.022 0.97 1 626 154 154 ALA CA C 49.894 0.97 1 627 154 154 ALA N N 125.790 0.56 1 628 155 155 PRO C C 175.578 0.97 1 629 155 155 PRO CA C 61.661 0.97 1 630 156 156 PHE H H 8.288 0.01 1 631 156 156 PHE HA H 2.346 0.01 1 632 156 156 PHE C C 174.254 0.97 1 633 156 156 PHE CA C 56.414 0.97 1 634 156 156 PHE N N 121.116 0.56 1 635 157 157 GLN H H 7.205 0.01 1 636 157 157 GLN HA H 4.306 0.01 1 637 157 157 GLN C C 171.628 0.97 1 638 157 157 GLN CA C 50.515 0.97 1 639 157 157 GLN N N 129.600 0.56 1 640 158 158 PRO C C 175.224 0.97 1 641 158 158 PRO CA C 61.723 0.97 1 642 159 159 TRP H H 5.628 0.01 1 643 159 159 TRP HA H 4.698 0.01 1 644 159 159 TRP C C 175.906 0.97 1 645 159 159 TRP CA C 54.528 0.97 1 646 159 159 TRP N N 117.795 0.56 1 647 160 160 ASP H H 8.766 0.01 1 648 160 160 ASP HA H 4.323 0.01 1 649 160 160 ASP C C 177.598 0.97 1 650 160 160 ASP CA C 55.395 0.97 1 651 160 160 ASP N N 122.363 0.56 1 652 161 161 GLY H H 8.887 0.01 1 653 161 161 GLY HA2 H 3.902 0.01 1 654 161 161 GLY HA3 H 4.072 0.01 1 655 161 161 GLY C C 173.833 0.97 1 656 161 161 GLY CA C 45.382 0.97 1 657 161 161 GLY N N 111.982 0.56 1 658 162 162 LEU H H 7.078 0.01 1 659 162 162 LEU HA H 4.272 0.01 1 660 162 162 LEU C C 179.345 0.97 1 661 162 162 LEU CA C 60.554 0.97 1 662 162 162 LEU N N 121.971 0.56 1 663 163 163 ASP H H 8.679 0.01 1 664 163 163 ASP HA H 4.459 0.01 1 665 163 163 ASP C C 178.182 0.97 1 666 163 163 ASP CA C 57.108 0.97 1 667 163 163 ASP N N 118.366 0.56 1 668 164 164 GLU H H 8.374 0.01 1 669 164 164 GLU HA H 3.935 0.01 1 670 164 164 GLU C C 180.355 0.97 1 671 164 164 GLU CA C 59.614 0.97 1 672 164 164 GLU N N 121.998 0.56 1 673 165 165 HIS H H 8.707 0.01 1 674 165 165 HIS HA H 4.602 0.01 1 675 165 165 HIS C C 178.924 0.97 1 676 165 165 HIS CA C 59.393 0.97 1 677 165 165 HIS N N 120.268 0.56 1 678 166 166 SER H H 8.649 0.01 1 679 166 166 SER HA H 4.400 0.01 1 680 166 166 SER C C 177.421 0.97 1 681 166 166 SER CA C 63.202 0.97 1 682 166 166 SER N N 118.252 0.56 1 683 167 167 GLN H H 8.645 0.01 1 684 167 167 GLN HA H 4.176 0.01 1 685 167 167 GLN C C 179.643 0.97 1 686 167 167 GLN CA C 58.782 0.97 1 687 167 167 GLN N N 121.647 0.56 1 688 168 168 ALA H H 8.092 0.01 1 689 168 168 ALA HA H 4.249 0.01 1 690 168 168 ALA C C 181.949 0.97 1 691 168 168 ALA CA C 54.880 0.97 1 692 168 168 ALA N N 124.242 0.56 1 693 169 169 LEU H H 8.526 0.01 1 694 169 169 LEU HA H 4.087 0.01 1 695 169 169 LEU C C 179.159 0.97 1 696 169 169 LEU CA C 57.603 0.97 1 697 169 169 LEU N N 120.509 0.56 1 698 170 170 SER H H 8.853 0.01 1 699 170 170 SER HA H 4.128 0.01 1 700 170 170 SER C C 178.370 0.97 1 701 170 170 SER CA C 62.240 0.97 1 702 170 170 SER N N 117.410 0.56 1 703 171 171 GLY H H 8.175 0.01 1 704 171 171 GLY HA2 H 4.150 0.01 1 705 171 171 GLY HA3 H 3.965 0.01 1 706 171 171 GLY C C 176.376 0.97 1 707 171 171 GLY CA C 46.673 0.97 1 708 171 171 GLY N N 111.058 0.56 1 709 172 172 ARG H H 7.578 0.01 1 710 172 172 ARG HA H 4.191 0.01 1 711 172 172 ARG C C 178.807 0.97 1 712 172 172 ARG CA C 58.189 0.97 1 713 172 172 ARG N N 123.131 0.56 1 714 173 173 LEU H H 8.813 0.01 1 715 173 173 LEU HA H 3.992 0.01 1 716 173 173 LEU C C 178.396 0.97 1 717 173 173 LEU CA C 57.461 0.97 1 718 173 173 LEU N N 120.594 0.56 1 719 174 174 GLY H H 8.221 0.01 1 720 174 174 GLY HA2 H 3.755 0.01 1 721 174 174 GLY HA3 H 3.929 0.01 1 722 174 174 GLY C C 176.170 0.97 1 723 174 174 GLY CA C 46.641 0.97 1 724 174 174 GLY N N 105.456 0.56 1 725 175 175 GLU H H 7.478 0.01 1 726 175 175 GLU HA H 4.080 0.01 1 727 175 175 GLU C C 179.100 0.97 1 728 175 175 GLU CA C 58.450 0.97 1 729 175 175 GLU N N 120.171 0.56 1 730 176 176 ILE H H 7.755 0.01 1 731 176 176 ILE HA H 3.680 0.01 1 732 176 176 ILE C C 177.560 0.97 1 733 176 176 ILE CA C 64.476 0.97 1 734 176 176 ILE N N 119.642 0.56 1 735 177 177 LEU H H 8.067 0.01 1 736 177 177 LEU HA H 4.091 0.01 1 737 177 177 LEU C C 177.520 0.97 1 738 177 177 LEU CA C 55.252 0.97 1 739 177 177 LEU N N 116.019 0.56 1 740 178 178 ARG H H 7.566 0.01 1 741 178 178 ARG HA H 4.139 0.01 1 742 178 178 ARG C C 175.953 0.97 1 743 178 178 ARG CA C 56.683 0.97 1 744 178 178 ARG N N 118.755 0.56 1 745 179 179 HIS H H 8.140 0.01 1 746 179 179 HIS HA H 4.612 0.01 1 747 179 179 HIS C C 174.365 0.97 1 748 179 179 HIS CA C 55.781 0.97 1 749 179 179 HIS N N 120.648 0.56 1 750 180 180 SER H H 8.010 0.01 1 751 180 180 SER C C 178.724 0.97 1 752 180 180 SER CA C 59.847 0.97 1 753 180 180 SER N N 123.174 0.56 1 stop_ save_