data_27286 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27286 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for VSV8 peptide bound to a truncated MHC H-2Kb (VSV8/Kb-t) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-10-18 _Entry.Accession_date 2017-10-18 _Entry.Last_release_date 2017-10-18 _Entry.Original_release_date 2017-10-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Assignment of extracellular domain of H-2Kb trucated mutant.' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Robert Mallis . J. . . 27286 2 Haribabu Arthanari . . . . 27286 3 Matt Lang . J. . . 27286 4 Ellis Reinherz . L. . . 27286 5 Gerhard Wagner . . . . 27286 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27286 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 385 27286 '15N chemical shifts' 140 27286 '1H chemical shifts' 140 27286 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-03-28 2017-10-18 update BMRB 'update entry citation' 27286 1 . . 2017-12-14 2017-10-18 original author 'original release' 27286 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27285 'VSV8 peptide bound to MHC H-2Kb (VSV8/Kb)' 27286 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27286 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29101227 _Citation.Full_citation . _Citation.Title ; NMR-Directed Design of PreTCRbeta and pMHC Molecules Implies a Distinct Geometry for preTCR Relative to alphabetaTCR Recognition of pMHC ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 293 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 754 _Citation.Page_last 766 _Citation.Year 2018 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Robert Mallis . J. . . 27286 1 2 Haribabu Arthanari . . . . 27286 1 3 Matt Lang . J. . . 27286 1 4 Ellis Reinherz . L. . . 27286 1 5 Gerhard Wagner . . . . 27286 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27286 _Assembly.ID 1 _Assembly.Name 'VSV8 peptide bound to a truncated MHC H-2Kb (VSV8/Kb-t)' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 22389.92 _Assembly.Enzyme_commission_number . _Assembly.Details 'Peptide Major Histocompatibility Complex Molecule' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 H-2Kb-t 1 $H-2Kb-t A . yes native no no . . . 27286 1 2 VSV8 2 $VSV8 B . no native no no . . . 27286 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 102 102 SG . 1 . 1 CYS 165 165 SG . . . . . . . . . . . . 27286 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1KPU . . X-ray . 'Structure of full length version of this molecule' . 27286 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Presents self or heterologous peptides on cell surface for immune surveillance.' 27286 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_H-2Kb-t _Entity.Sf_category entity _Entity.Sf_framecode H-2Kb-t _Entity.Entry_ID 27286 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name H-2Kb-t _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGPHSLRYFVTAVSRPGLGE PRYMEVGYVDDTEFVRFDSD AENPRYEPRARWMEQEGPEY WERETQKAKGNEQSFRVDLR TLLGYYNQSKGGSHTIQVIS GCEVGSDGRLLRGYQQYAYD GCDYIALNEDLKTWTAADMA ALITKHKWEQAGEAERLRAY LEGTCVEWLRRYLKNGNATL LRTDSP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 186 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment '1 2' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 21452.86 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 MET . 27286 1 2 1 GLY . 27286 1 3 2 PRO . 27286 1 4 3 HIS . 27286 1 5 4 SER . 27286 1 6 5 LEU . 27286 1 7 6 ARG . 27286 1 8 7 TYR . 27286 1 9 8 PHE . 27286 1 10 9 VAL . 27286 1 11 10 THR . 27286 1 12 11 ALA . 27286 1 13 12 VAL . 27286 1 14 13 SER . 27286 1 15 14 ARG . 27286 1 16 15 PRO . 27286 1 17 16 GLY . 27286 1 18 17 LEU . 27286 1 19 18 GLY . 27286 1 20 19 GLU . 27286 1 21 20 PRO . 27286 1 22 21 ARG . 27286 1 23 22 TYR . 27286 1 24 23 MET . 27286 1 25 24 GLU . 27286 1 26 25 VAL . 27286 1 27 26 GLY . 27286 1 28 27 TYR . 27286 1 29 28 VAL . 27286 1 30 29 ASP . 27286 1 31 30 ASP . 27286 1 32 31 THR . 27286 1 33 32 GLU . 27286 1 34 33 PHE . 27286 1 35 34 VAL . 27286 1 36 35 ARG . 27286 1 37 36 PHE . 27286 1 38 37 ASP . 27286 1 39 38 SER . 27286 1 40 39 ASP . 27286 1 41 40 ALA . 27286 1 42 41 GLU . 27286 1 43 42 ASN . 27286 1 44 43 PRO . 27286 1 45 44 ARG . 27286 1 46 45 TYR . 27286 1 47 46 GLU . 27286 1 48 47 PRO . 27286 1 49 48 ARG . 27286 1 50 49 ALA . 27286 1 51 50 ARG . 27286 1 52 51 TRP . 27286 1 53 52 MET . 27286 1 54 53 GLU . 27286 1 55 54 GLN . 27286 1 56 55 GLU . 27286 1 57 56 GLY . 27286 1 58 57 PRO . 27286 1 59 58 GLU . 27286 1 60 59 TYR . 27286 1 61 60 TRP . 27286 1 62 61 GLU . 27286 1 63 62 ARG . 27286 1 64 63 GLU . 27286 1 65 64 THR . 27286 1 66 65 GLN . 27286 1 67 66 LYS . 27286 1 68 67 ALA . 27286 1 69 68 LYS . 27286 1 70 69 GLY . 27286 1 71 70 ASN . 27286 1 72 71 GLU . 27286 1 73 72 GLN . 27286 1 74 73 SER . 27286 1 75 74 PHE . 27286 1 76 75 ARG . 27286 1 77 76 VAL . 27286 1 78 77 ASP . 27286 1 79 78 LEU . 27286 1 80 79 ARG . 27286 1 81 80 THR . 27286 1 82 81 LEU . 27286 1 83 82 LEU . 27286 1 84 83 GLY . 27286 1 85 84 TYR . 27286 1 86 85 TYR . 27286 1 87 86 ASN . 27286 1 88 87 GLN . 27286 1 89 88 SER . 27286 1 90 89 LYS . 27286 1 91 90 GLY . 27286 1 92 91 GLY . 27286 1 93 92 SER . 27286 1 94 93 HIS . 27286 1 95 94 THR . 27286 1 96 95 ILE . 27286 1 97 96 GLN . 27286 1 98 97 VAL . 27286 1 99 98 ILE . 27286 1 100 99 SER . 27286 1 101 100 GLY . 27286 1 102 101 CYS . 27286 1 103 102 GLU . 27286 1 104 103 VAL . 27286 1 105 104 GLY . 27286 1 106 105 SER . 27286 1 107 106 ASP . 27286 1 108 107 GLY . 27286 1 109 108 ARG . 27286 1 110 109 LEU . 27286 1 111 110 LEU . 27286 1 112 111 ARG . 27286 1 113 112 GLY . 27286 1 114 113 TYR . 27286 1 115 114 GLN . 27286 1 116 115 GLN . 27286 1 117 116 TYR . 27286 1 118 117 ALA . 27286 1 119 118 TYR . 27286 1 120 119 ASP . 27286 1 121 120 GLY . 27286 1 122 121 CYS . 27286 1 123 122 ASP . 27286 1 124 123 TYR . 27286 1 125 124 ILE . 27286 1 126 125 ALA . 27286 1 127 126 LEU . 27286 1 128 127 ASN . 27286 1 129 128 GLU . 27286 1 130 129 ASP . 27286 1 131 130 LEU . 27286 1 132 131 LYS . 27286 1 133 132 THR . 27286 1 134 133 TRP . 27286 1 135 134 THR . 27286 1 136 135 ALA . 27286 1 137 136 ALA . 27286 1 138 137 ASP . 27286 1 139 138 MET . 27286 1 140 139 ALA . 27286 1 141 140 ALA . 27286 1 142 141 LEU . 27286 1 143 142 ILE . 27286 1 144 143 THR . 27286 1 145 144 LYS . 27286 1 146 145 HIS . 27286 1 147 146 LYS . 27286 1 148 147 TRP . 27286 1 149 148 GLU . 27286 1 150 149 GLN . 27286 1 151 150 ALA . 27286 1 152 151 GLY . 27286 1 153 152 GLU . 27286 1 154 153 ALA . 27286 1 155 154 GLU . 27286 1 156 155 ARG . 27286 1 157 156 LEU . 27286 1 158 157 ARG . 27286 1 159 158 ALA . 27286 1 160 159 TYR . 27286 1 161 160 LEU . 27286 1 162 161 GLU . 27286 1 163 162 GLY . 27286 1 164 163 THR . 27286 1 165 164 CYS . 27286 1 166 165 VAL . 27286 1 167 166 GLU . 27286 1 168 167 TRP . 27286 1 169 168 LEU . 27286 1 170 169 ARG . 27286 1 171 170 ARG . 27286 1 172 171 TYR . 27286 1 173 172 LEU . 27286 1 174 173 LYS . 27286 1 175 174 ASN . 27286 1 176 175 GLY . 27286 1 177 176 ASN . 27286 1 178 177 ALA . 27286 1 179 178 THR . 27286 1 180 179 LEU . 27286 1 181 180 LEU . 27286 1 182 181 ARG . 27286 1 183 182 THR . 27286 1 184 183 ASP . 27286 1 185 184 SER . 27286 1 186 185 PRO . 27286 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27286 1 . GLY 2 2 27286 1 . PRO 3 3 27286 1 . HIS 4 4 27286 1 . SER 5 5 27286 1 . LEU 6 6 27286 1 . ARG 7 7 27286 1 . TYR 8 8 27286 1 . PHE 9 9 27286 1 . VAL 10 10 27286 1 . THR 11 11 27286 1 . ALA 12 12 27286 1 . VAL 13 13 27286 1 . SER 14 14 27286 1 . ARG 15 15 27286 1 . PRO 16 16 27286 1 . GLY 17 17 27286 1 . LEU 18 18 27286 1 . GLY 19 19 27286 1 . GLU 20 20 27286 1 . PRO 21 21 27286 1 . ARG 22 22 27286 1 . TYR 23 23 27286 1 . MET 24 24 27286 1 . GLU 25 25 27286 1 . VAL 26 26 27286 1 . GLY 27 27 27286 1 . TYR 28 28 27286 1 . VAL 29 29 27286 1 . ASP 30 30 27286 1 . ASP 31 31 27286 1 . THR 32 32 27286 1 . GLU 33 33 27286 1 . PHE 34 34 27286 1 . VAL 35 35 27286 1 . ARG 36 36 27286 1 . PHE 37 37 27286 1 . ASP 38 38 27286 1 . SER 39 39 27286 1 . ASP 40 40 27286 1 . ALA 41 41 27286 1 . GLU 42 42 27286 1 . ASN 43 43 27286 1 . PRO 44 44 27286 1 . ARG 45 45 27286 1 . TYR 46 46 27286 1 . GLU 47 47 27286 1 . PRO 48 48 27286 1 . ARG 49 49 27286 1 . ALA 50 50 27286 1 . ARG 51 51 27286 1 . TRP 52 52 27286 1 . MET 53 53 27286 1 . GLU 54 54 27286 1 . GLN 55 55 27286 1 . GLU 56 56 27286 1 . GLY 57 57 27286 1 . PRO 58 58 27286 1 . GLU 59 59 27286 1 . TYR 60 60 27286 1 . TRP 61 61 27286 1 . GLU 62 62 27286 1 . ARG 63 63 27286 1 . GLU 64 64 27286 1 . THR 65 65 27286 1 . GLN 66 66 27286 1 . LYS 67 67 27286 1 . ALA 68 68 27286 1 . LYS 69 69 27286 1 . GLY 70 70 27286 1 . ASN 71 71 27286 1 . GLU 72 72 27286 1 . GLN 73 73 27286 1 . SER 74 74 27286 1 . PHE 75 75 27286 1 . ARG 76 76 27286 1 . VAL 77 77 27286 1 . ASP 78 78 27286 1 . LEU 79 79 27286 1 . ARG 80 80 27286 1 . THR 81 81 27286 1 . LEU 82 82 27286 1 . LEU 83 83 27286 1 . GLY 84 84 27286 1 . TYR 85 85 27286 1 . TYR 86 86 27286 1 . ASN 87 87 27286 1 . GLN 88 88 27286 1 . SER 89 89 27286 1 . LYS 90 90 27286 1 . GLY 91 91 27286 1 . GLY 92 92 27286 1 . SER 93 93 27286 1 . HIS 94 94 27286 1 . THR 95 95 27286 1 . ILE 96 96 27286 1 . GLN 97 97 27286 1 . VAL 98 98 27286 1 . ILE 99 99 27286 1 . SER 100 100 27286 1 . GLY 101 101 27286 1 . CYS 102 102 27286 1 . GLU 103 103 27286 1 . VAL 104 104 27286 1 . GLY 105 105 27286 1 . SER 106 106 27286 1 . ASP 107 107 27286 1 . GLY 108 108 27286 1 . ARG 109 109 27286 1 . LEU 110 110 27286 1 . LEU 111 111 27286 1 . ARG 112 112 27286 1 . GLY 113 113 27286 1 . TYR 114 114 27286 1 . GLN 115 115 27286 1 . GLN 116 116 27286 1 . TYR 117 117 27286 1 . ALA 118 118 27286 1 . TYR 119 119 27286 1 . ASP 120 120 27286 1 . GLY 121 121 27286 1 . CYS 122 122 27286 1 . ASP 123 123 27286 1 . TYR 124 124 27286 1 . ILE 125 125 27286 1 . ALA 126 126 27286 1 . LEU 127 127 27286 1 . ASN 128 128 27286 1 . GLU 129 129 27286 1 . ASP 130 130 27286 1 . LEU 131 131 27286 1 . LYS 132 132 27286 1 . THR 133 133 27286 1 . TRP 134 134 27286 1 . THR 135 135 27286 1 . ALA 136 136 27286 1 . ALA 137 137 27286 1 . ASP 138 138 27286 1 . MET 139 139 27286 1 . ALA 140 140 27286 1 . ALA 141 141 27286 1 . LEU 142 142 27286 1 . ILE 143 143 27286 1 . THR 144 144 27286 1 . LYS 145 145 27286 1 . HIS 146 146 27286 1 . LYS 147 147 27286 1 . TRP 148 148 27286 1 . GLU 149 149 27286 1 . GLN 150 150 27286 1 . ALA 151 151 27286 1 . GLY 152 152 27286 1 . GLU 153 153 27286 1 . ALA 154 154 27286 1 . GLU 155 155 27286 1 . ARG 156 156 27286 1 . LEU 157 157 27286 1 . ARG 158 158 27286 1 . ALA 159 159 27286 1 . TYR 160 160 27286 1 . LEU 161 161 27286 1 . GLU 162 162 27286 1 . GLY 163 163 27286 1 . THR 164 164 27286 1 . CYS 165 165 27286 1 . VAL 166 166 27286 1 . GLU 167 167 27286 1 . TRP 168 168 27286 1 . LEU 169 169 27286 1 . ARG 170 170 27286 1 . ARG 171 171 27286 1 . TYR 172 172 27286 1 . LEU 173 173 27286 1 . LYS 174 174 27286 1 . ASN 175 175 27286 1 . GLY 176 176 27286 1 . ASN 177 177 27286 1 . ALA 178 178 27286 1 . THR 179 179 27286 1 . LEU 180 180 27286 1 . LEU 181 181 27286 1 . ARG 182 182 27286 1 . THR 183 183 27286 1 . ASP 184 184 27286 1 . SER 185 185 27286 1 . PRO 186 186 27286 1 stop_ save_ save_VSV8 _Entity.Sf_category entity _Entity.Sf_framecode VSV8 _Entity.Entry_ID 27286 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name VSV8 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RGYVYQGL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 8 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ARG . 27286 2 2 . GLY . 27286 2 3 . TYR . 27286 2 4 . VAL . 27286 2 5 . TYR . 27286 2 6 . GLN . 27286 2 7 . GLY . 27286 2 8 . LEU . 27286 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ARG 1 1 27286 2 . GLY 2 2 27286 2 . TYR 3 3 27286 2 . VAL 4 4 27286 2 . TYR 5 5 27286 2 . GLN 6 6 27286 2 . GLY 7 7 27286 2 . LEU 8 8 27286 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27286 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $H-2Kb-t . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus B6 . . . . . . . . . . H-2Kb . 27286 1 2 2 $VSV8 . 11276 virus . 'vesicular stomatitus virus' 'vesicular stomatitus virus' . . Viruses . Vesiculovirus 'vesicular stomatitus virus' . . . . . . . . . . . . . 27286 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27286 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $H-2Kb-t . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21-DE3 . . . . . pet11d . . . 27286 1 2 2 $VSV8 . 'chemical synthesis' . . . . . . . . . . . . . . . . 27286 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27286 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 H-2Kb-t '[U-13C; U-15N; U-2H]' . . 1 $H-2Kb-t . . 400 . . uM . . . . 27286 1 2 VSV8 'natural abundance' . . 2 $VSV8 . . 400 . . uM . . . . 27286 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27286 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27286 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27286 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 470 . mM 27286 1 pH 7.0 . pH 27286 1 pressure 1 . atm 27286 1 temperature 298 . K 27286 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27286 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27286 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27286 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27286 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27286 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27286 2 stop_ save_ save_Cara _Software.Sf_category software _Software.Sf_framecode Cara _Software.Entry_ID 27286 _Software.ID 3 _Software.Type . _Software.Name Cara _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Keller 'Goldau, Switzerland' . 27286 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27286 3 'data analysis' 27286 3 'peak picking' 27286 3 stop_ save_ save_RASP _Software.Sf_category software _Software.Sf_framecode RASP _Software.Entry_ID 27286 _Software.ID 4 _Software.Type . _Software.Name RASP _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID MacRaild . . 27286 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27286 4 stop_ save_ save_SPARTA+ _Software.Sf_category software _Software.Sf_framecode SPARTA+ _Software.Entry_ID 27286 _Software.ID 5 _Software.Type . _Software.Name SPARTA+ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen and Bax' . . 27286 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 27286 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27286 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27286 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 27286 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27286 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker UnityPlus . 750 . . . 27286 1 2 spectrometer_2 Varian INOVA . 600 . . . 27286 1 3 spectrometer_3 Bruker Avance . 500 . . . 27286 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27286 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27286 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27286 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 27286 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27286 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27286 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27286 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27286 1 8 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27286 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27286 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 na indirect . . . . . . 27286 1 H 1 water protons . . . . ppm 4.7 na direct 1 . . . . . 27286 1 N 15 water protons . . . . ppm 4.7 na indirect . . . . . . 27286 1 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27286 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27286 1 4 '3D HNCO' . . . 27286 1 5 '3D HNCA' . . . 27286 1 6 '3D HNCACB' . . . 27286 1 7 '3D HN(CO)CA' . . . 27286 1 8 '3D HCACO' . . . 27286 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $Cara . . 27286 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 HIS H H 1 8.225 0.020 . 1 . . . . . 3 HIS H . 27286 1 2 . 1 1 4 4 HIS C C 13 173.872 0.3 . 1 . . . . . 3 HIS C . 27286 1 3 . 1 1 4 4 HIS CA C 13 54.723 0.3 . 1 . . . . . 3 HIS CA . 27286 1 4 . 1 1 4 4 HIS CB C 13 33.091 0.3 . 1 . . . . . 3 HIS CB . 27286 1 5 . 1 1 4 4 HIS N N 15 116.734 0.3 . 1 . . . . . 3 HIS N . 27286 1 6 . 1 1 5 5 SER H H 1 9.299 0.020 . 1 . . . . . 4 SER H . 27286 1 7 . 1 1 5 5 SER C C 13 171.851 0.3 . 1 . . . . . 4 SER C . 27286 1 8 . 1 1 5 5 SER CA C 13 56.562 0.3 . 1 . . . . . 4 SER CA . 27286 1 9 . 1 1 5 5 SER CB C 13 66.928 0.3 . 1 . . . . . 4 SER CB . 27286 1 10 . 1 1 5 5 SER N N 15 114.484 0.3 . 1 . . . . . 4 SER N . 27286 1 11 . 1 1 6 6 LEU H H 1 8.747 0.020 . 1 . . . . . 5 LEU H . 27286 1 12 . 1 1 6 6 LEU C C 13 174.340 0.3 . 1 . . . . . 5 LEU C . 27286 1 13 . 1 1 6 6 LEU CA C 13 53.577 0.3 . 1 . . . . . 5 LEU CA . 27286 1 14 . 1 1 6 6 LEU CB C 13 44.475 0.3 . 1 . . . . . 5 LEU CB . 27286 1 15 . 1 1 6 6 LEU N N 15 126.326 0.3 . 1 . . . . . 5 LEU N . 27286 1 16 . 1 1 7 7 ARG H H 1 9.017 0.020 . 1 . . . . . 6 ARG H . 27286 1 17 . 1 1 7 7 ARG C C 13 173.975 0.3 . 1 . . . . . 6 ARG C . 27286 1 18 . 1 1 7 7 ARG CA C 13 54.110 0.3 . 1 . . . . . 6 ARG CA . 27286 1 19 . 1 1 7 7 ARG CB C 13 34.789 0.3 . 1 . . . . . 6 ARG CB . 27286 1 20 . 1 1 7 7 ARG N N 15 124.329 0.3 . 1 . . . . . 6 ARG N . 27286 1 21 . 1 1 10 10 VAL H H 1 9.229 0.020 . 1 . . . . . 9 VAL H . 27286 1 22 . 1 1 10 10 VAL C C 13 175.368 0.3 . 1 . . . . . 9 VAL C . 27286 1 23 . 1 1 10 10 VAL CA C 13 60.425 0.3 . 1 . . . . . 9 VAL CA . 27286 1 24 . 1 1 10 10 VAL CB C 13 33.217 0.3 . 1 . . . . . 9 VAL CB . 27286 1 25 . 1 1 10 10 VAL N N 15 130.623 0.3 . 1 . . . . . 9 VAL N . 27286 1 26 . 1 1 11 11 THR H H 1 8.357 0.020 . 1 . . . . . 10 THR H . 27286 1 27 . 1 1 11 11 THR CA C 13 59.732 0.3 . 1 . . . . . 10 THR CA . 27286 1 28 . 1 1 11 11 THR CB C 13 71.645 0.3 . 1 . . . . . 10 THR CB . 27286 1 29 . 1 1 11 11 THR N N 15 119.752 0.3 . 1 . . . . . 10 THR N . 27286 1 30 . 1 1 12 12 ALA H H 1 8.780 0.020 . 1 . . . . . 11 ALA H . 27286 1 31 . 1 1 12 12 ALA C C 13 175.516 0.3 . 1 . . . . . 11 ALA C . 27286 1 32 . 1 1 12 12 ALA CA C 13 49.900 0.3 . 1 . . . . . 11 ALA CA . 27286 1 33 . 1 1 12 12 ALA CB C 13 21.707 0.3 . 1 . . . . . 11 ALA CB . 27286 1 34 . 1 1 12 12 ALA N N 15 127.985 0.3 . 1 . . . . . 11 ALA N . 27286 1 35 . 1 1 13 13 VAL H H 1 8.753 0.020 . 1 . . . . . 12 VAL H . 27286 1 36 . 1 1 13 13 VAL C C 13 176.726 0.3 . 1 . . . . . 12 VAL C . 27286 1 37 . 1 1 13 13 VAL CA C 13 59.386 0.3 . 1 . . . . . 12 VAL CA . 27286 1 38 . 1 1 13 13 VAL CB C 13 34.600 0.3 . 1 . . . . . 12 VAL CB . 27286 1 39 . 1 1 13 13 VAL N N 15 123.204 0.3 . 1 . . . . . 12 VAL N . 27286 1 40 . 1 1 14 14 SER H H 1 9.431 0.020 . 1 . . . . . 13 SER H . 27286 1 41 . 1 1 14 14 SER C C 13 173.678 0.3 . 1 . . . . . 13 SER C . 27286 1 42 . 1 1 14 14 SER CA C 13 56.695 0.3 . 1 . . . . . 13 SER CA . 27286 1 43 . 1 1 14 14 SER CB C 13 64.727 0.3 . 1 . . . . . 13 SER CB . 27286 1 44 . 1 1 14 14 SER N N 15 122.360 0.3 . 1 . . . . . 13 SER N . 27286 1 45 . 1 1 15 15 ARG H H 1 9.376 0.020 . 1 . . . . . 14 ARG H . 27286 1 46 . 1 1 15 15 ARG C C 13 172.742 0.3 . 1 . . . . . 14 ARG C . 27286 1 47 . 1 1 15 15 ARG CA C 13 52.698 0.3 . 1 . . . . . 14 ARG CA . 27286 1 48 . 1 1 15 15 ARG CB C 13 29.695 0.3 . 1 . . . . . 14 ARG CB . 27286 1 49 . 1 1 15 15 ARG N N 15 121.149 0.3 . 1 . . . . . 14 ARG N . 27286 1 50 . 1 1 18 18 LEU H H 1 8.119 0.020 . 1 . . . . . 17 LEU H . 27286 1 51 . 1 1 18 18 LEU C C 13 177.093 0.3 . 1 . . . . . 17 LEU C . 27286 1 52 . 1 1 18 18 LEU CA C 13 54.430 0.3 . 1 . . . . . 17 LEU CA . 27286 1 53 . 1 1 18 18 LEU CB C 13 42.211 0.3 . 1 . . . . . 17 LEU CB . 27286 1 54 . 1 1 18 18 LEU N N 15 122.360 0.3 . 1 . . . . . 17 LEU N . 27286 1 55 . 1 1 19 19 GLY H H 1 7.785 0.020 . 1 . . . . . 18 GLY H . 27286 1 56 . 1 1 19 19 GLY C C 13 173.575 0.3 . 1 . . . . . 18 GLY C . 27286 1 57 . 1 1 19 19 GLY CA C 13 44.598 0.3 . 1 . . . . . 18 GLY CA . 27286 1 58 . 1 1 19 19 GLY N N 15 107.733 0.3 . 1 . . . . . 18 GLY N . 27286 1 59 . 1 1 20 20 GLU H H 1 8.304 0.020 . 1 . . . . . 19 GLU H . 27286 1 60 . 1 1 20 20 GLU C C 13 174.192 0.3 . 1 . . . . . 19 GLU C . 27286 1 61 . 1 1 20 20 GLU CA C 13 54.323 0.3 . 1 . . . . . 19 GLU CA . 27286 1 62 . 1 1 20 20 GLU CB C 13 27.619 0.3 . 1 . . . . . 19 GLU CB . 27286 1 63 . 1 1 20 20 GLU N N 15 122.360 0.3 . 1 . . . . . 19 GLU N . 27286 1 64 . 1 1 22 22 ARG H H 1 8.727 0.020 . 1 . . . . . 21 ARG H . 27286 1 65 . 1 1 22 22 ARG C C 13 174.237 0.3 . 1 . . . . . 21 ARG C . 27286 1 66 . 1 1 22 22 ARG CA C 13 55.816 0.3 . 1 . . . . . 21 ARG CA . 27286 1 67 . 1 1 22 22 ARG CB C 13 30.764 0.3 . 1 . . . . . 21 ARG CB . 27286 1 68 . 1 1 22 22 ARG N N 15 126.298 0.3 . 1 . . . . . 21 ARG N . 27286 1 69 . 1 1 23 23 TYR H H 1 9.273 0.020 . 1 . . . . . 22 TYR H . 27286 1 70 . 1 1 23 23 TYR C C 13 172.998 0.3 . 1 . . . . . 22 TYR C . 27286 1 71 . 1 1 23 23 TYR CA C 13 57.041 0.3 . 1 . . . . . 22 TYR CA . 27286 1 72 . 1 1 23 23 TYR CB C 13 42.462 0.3 . 1 . . . . . 22 TYR CB . 27286 1 73 . 1 1 23 23 TYR N N 15 132.672 0.3 . 1 . . . . . 22 TYR N . 27286 1 74 . 1 1 24 24 MET H H 1 8.084 0.020 . 1 . . . . . 23 MET H . 27286 1 75 . 1 1 24 24 MET C C 13 174.077 0.3 . 1 . . . . . 23 MET C . 27286 1 76 . 1 1 24 24 MET CA C 13 53.364 0.3 . 1 . . . . . 23 MET CA . 27286 1 77 . 1 1 24 24 MET CB C 13 37.431 0.3 . 1 . . . . . 23 MET CB . 27286 1 78 . 1 1 24 24 MET N N 15 125.735 0.3 . 1 . . . . . 23 MET N . 27286 1 79 . 1 1 25 25 GLU H H 1 8.493 0.020 . 1 . . . . . 24 GLU H . 27286 1 80 . 1 1 25 25 GLU C C 13 175.196 0.3 . 1 . . . . . 24 GLU C . 27286 1 81 . 1 1 25 25 GLU CA C 13 54.803 0.3 . 1 . . . . . 24 GLU CA . 27286 1 82 . 1 1 25 25 GLU CB C 13 32.336 0.3 . 1 . . . . . 24 GLU CB . 27286 1 83 . 1 1 25 25 GLU N N 15 118.296 0.3 . 1 . . . . . 24 GLU N . 27286 1 84 . 1 1 26 26 VAL H H 1 8.885 0.020 . 1 . . . . . 25 VAL H . 27286 1 85 . 1 1 26 26 VAL C C 13 174.911 0.3 . 1 . . . . . 25 VAL C . 27286 1 86 . 1 1 26 26 VAL CA C 13 61.358 0.3 . 1 . . . . . 25 VAL CA . 27286 1 87 . 1 1 26 26 VAL CB C 13 34.223 0.3 . 1 . . . . . 25 VAL CB . 27286 1 88 . 1 1 26 26 VAL N N 15 122.922 0.3 . 1 . . . . . 25 VAL N . 27286 1 89 . 1 1 27 27 GLY H H 1 8.190 0.020 . 1 . . . . . 26 GLY H . 27286 1 90 . 1 1 27 27 GLY C C 13 173.016 0.3 . 1 . . . . . 26 GLY C . 27286 1 91 . 1 1 27 27 GLY CA C 13 44.384 0.3 . 1 . . . . . 26 GLY CA . 27286 1 92 . 1 1 27 27 GLY N N 15 113.359 0.3 . 1 . . . . . 26 GLY N . 27286 1 93 . 1 1 28 28 TYR H H 1 9.674 0.020 . 1 . . . . . 27 TYR H . 27286 1 94 . 1 1 28 28 TYR C C 13 176.144 0.3 . 1 . . . . . 27 TYR C . 27286 1 95 . 1 1 28 28 TYR CA C 13 57.361 0.3 . 1 . . . . . 27 TYR CA . 27286 1 96 . 1 1 28 28 TYR CB C 13 42.085 0.3 . 1 . . . . . 27 TYR CB . 27286 1 97 . 1 1 28 28 TYR N N 15 123.209 0.3 . 1 . . . . . 27 TYR N . 27286 1 98 . 1 1 29 29 VAL H H 1 8.560 0.020 . 1 . . . . . 28 VAL H . 27286 1 99 . 1 1 29 29 VAL C C 13 176.304 0.3 . 1 . . . . . 28 VAL C . 27286 1 100 . 1 1 29 29 VAL CA C 13 60.772 0.3 . 1 . . . . . 28 VAL CA . 27286 1 101 . 1 1 29 29 VAL CB C 13 32.525 0.3 . 1 . . . . . 28 VAL CB . 27286 1 102 . 1 1 29 29 VAL N N 15 124.887 0.3 . 1 . . . . . 28 VAL N . 27286 1 103 . 1 1 32 32 THR H H 1 8.589 0.020 . 1 . . . . . 31 THR H . 27286 1 104 . 1 1 32 32 THR CA C 13 62.237 0.3 . 1 . . . . . 31 THR CA . 27286 1 105 . 1 1 32 32 THR CB C 13 70.136 0.3 . 1 . . . . . 31 THR CB . 27286 1 106 . 1 1 32 32 THR N N 15 119.522 0.3 . 1 . . . . . 31 THR N . 27286 1 107 . 1 1 33 33 GLU H H 1 8.962 0.020 . 1 . . . . . 32 GLU H . 27286 1 108 . 1 1 33 33 GLU C C 13 175.927 0.3 . 1 . . . . . 32 GLU C . 27286 1 109 . 1 1 33 33 GLU CA C 13 56.322 0.3 . 1 . . . . . 32 GLU CA . 27286 1 110 . 1 1 33 33 GLU CB C 13 28.562 0.3 . 1 . . . . . 32 GLU CB . 27286 1 111 . 1 1 33 33 GLU N N 15 133.338 0.3 . 1 . . . . . 32 GLU N . 27286 1 112 . 1 1 34 34 PHE H H 1 8.972 0.020 . 1 . . . . . 33 PHE H . 27286 1 113 . 1 1 34 34 PHE C C 13 174.740 0.3 . 1 . . . . . 33 PHE C . 27286 1 114 . 1 1 34 34 PHE CA C 13 56.588 0.3 . 1 . . . . . 33 PHE CA . 27286 1 115 . 1 1 34 34 PHE CB C 13 42.022 0.3 . 1 . . . . . 33 PHE CB . 27286 1 116 . 1 1 34 34 PHE N N 15 124.325 0.3 . 1 . . . . . 33 PHE N . 27286 1 117 . 1 1 35 35 VAL H H 1 6.755 0.020 . 1 . . . . . 34 VAL H . 27286 1 118 . 1 1 35 35 VAL C C 13 174.260 0.3 . 1 . . . . . 34 VAL C . 27286 1 119 . 1 1 35 35 VAL CA C 13 59.812 0.3 . 1 . . . . . 34 VAL CA . 27286 1 120 . 1 1 35 35 VAL CB C 13 36.739 0.3 . 1 . . . . . 34 VAL CB . 27286 1 121 . 1 1 35 35 VAL N N 15 118.422 0.3 . 1 . . . . . 34 VAL N . 27286 1 122 . 1 1 36 36 ARG H H 1 8.075 0.020 . 1 . . . . . 35 ARG H . 27286 1 123 . 1 1 36 36 ARG C C 13 172.742 0.3 . 1 . . . . . 35 ARG C . 27286 1 124 . 1 1 36 36 ARG CA C 13 55.736 0.3 . 1 . . . . . 35 ARG CA . 27286 1 125 . 1 1 36 36 ARG CB C 13 33.971 0.3 . 1 . . . . . 35 ARG CB . 27286 1 126 . 1 1 36 36 ARG N N 15 118.702 0.3 . 1 . . . . . 35 ARG N . 27286 1 127 . 1 1 37 37 PHE H H 1 9.202 0.020 . 1 . . . . . 36 PHE H . 27286 1 128 . 1 1 37 37 PHE C C 13 172.924 0.3 . 1 . . . . . 36 PHE C . 27286 1 129 . 1 1 37 37 PHE CA C 13 56.961 0.3 . 1 . . . . . 36 PHE CA . 27286 1 130 . 1 1 37 37 PHE CB C 13 42.273 0.3 . 1 . . . . . 36 PHE CB . 27286 1 131 . 1 1 37 37 PHE N N 15 127.985 0.3 . 1 . . . . . 36 PHE N . 27286 1 132 . 1 1 38 38 ASP H H 1 7.442 0.020 . 1 . . . . . 37 ASP H . 27286 1 133 . 1 1 38 38 ASP C C 13 175.984 0.3 . 1 . . . . . 37 ASP C . 27286 1 134 . 1 1 38 38 ASP CA C 13 51.739 0.3 . 1 . . . . . 37 ASP CA . 27286 1 135 . 1 1 38 38 ASP CB C 13 42.525 0.3 . 1 . . . . . 37 ASP CB . 27286 1 136 . 1 1 38 38 ASP N N 15 127.141 0.3 . 1 . . . . . 37 ASP N . 27286 1 137 . 1 1 39 39 SER H H 1 9.185 0.020 . 1 . . . . . 38 SER H . 27286 1 138 . 1 1 39 39 SER CA C 13 60.878 0.3 . 1 . . . . . 38 SER CA . 27286 1 139 . 1 1 39 39 SER CB C 13 62.903 0.3 . 1 . . . . . 38 SER CB . 27286 1 140 . 1 1 39 39 SER N N 15 123.204 0.3 . 1 . . . . . 38 SER N . 27286 1 141 . 1 1 40 40 ASP H H 1 8.172 0.020 . 1 . . . . . 39 ASP H . 27286 1 142 . 1 1 40 40 ASP C C 13 176.521 0.3 . 1 . . . . . 39 ASP C . 27286 1 143 . 1 1 40 40 ASP CA C 13 53.524 0.3 . 1 . . . . . 39 ASP CA . 27286 1 144 . 1 1 40 40 ASP CB C 13 39.821 0.3 . 1 . . . . . 39 ASP CB . 27286 1 145 . 1 1 40 40 ASP N N 15 122.922 0.3 . 1 . . . . . 39 ASP N . 27286 1 146 . 1 1 41 41 ALA H H 1 7.239 0.020 . 1 . . . . . 40 ALA H . 27286 1 147 . 1 1 41 41 ALA C C 13 176.441 0.3 . 1 . . . . . 40 ALA C . 27286 1 148 . 1 1 41 41 ALA CA C 13 51.392 0.3 . 1 . . . . . 40 ALA CA . 27286 1 149 . 1 1 41 41 ALA CB C 13 19.128 0.3 . 1 . . . . . 40 ALA CB . 27286 1 150 . 1 1 41 41 ALA N N 15 124.329 0.3 . 1 . . . . . 40 ALA N . 27286 1 151 . 1 1 42 42 GLU H H 1 8.252 0.020 . 1 . . . . . 41 GLU H . 27286 1 152 . 1 1 42 42 GLU C C 13 177.217 0.3 . 1 . . . . . 41 GLU C . 27286 1 153 . 1 1 42 42 GLU CA C 13 58.453 0.3 . 1 . . . . . 41 GLU CA . 27286 1 154 . 1 1 42 42 GLU CB C 13 28.562 0.3 . 1 . . . . . 41 GLU CB . 27286 1 155 . 1 1 42 42 GLU N N 15 121.235 0.3 . 1 . . . . . 41 GLU N . 27286 1 156 . 1 1 43 43 ASN H H 1 8.084 0.020 . 1 . . . . . 42 ASN H . 27286 1 157 . 1 1 43 43 ASN C C 13 171.897 0.3 . 1 . . . . . 42 ASN C . 27286 1 158 . 1 1 43 43 ASN CA C 13 50.300 0.3 . 1 . . . . . 42 ASN CA . 27286 1 159 . 1 1 43 43 ASN CB C 13 38.185 0.3 . 1 . . . . . 42 ASN CB . 27286 1 160 . 1 1 43 43 ASN N N 15 116.172 0.3 . 1 . . . . . 42 ASN N . 27286 1 161 . 1 1 45 45 ARG H H 1 7.898 0.020 . 1 . . . . . 44 ARG H . 27286 1 162 . 1 1 45 45 ARG C C 13 175.630 0.3 . 1 . . . . . 44 ARG C . 27286 1 163 . 1 1 45 45 ARG CA C 13 54.243 0.3 . 1 . . . . . 44 ARG CA . 27286 1 164 . 1 1 45 45 ARG CB C 13 31.896 0.3 . 1 . . . . . 44 ARG CB . 27286 1 165 . 1 1 45 45 ARG N N 15 123.058 0.3 . 1 . . . . . 44 ARG N . 27286 1 166 . 1 1 46 46 TYR H H 1 8.848 0.020 . 1 . . . . . 45 TYR H . 27286 1 167 . 1 1 46 46 TYR C C 13 176.167 0.3 . 1 . . . . . 45 TYR C . 27286 1 168 . 1 1 46 46 TYR CA C 13 60.825 0.3 . 1 . . . . . 45 TYR CA . 27286 1 169 . 1 1 46 46 TYR CB C 13 38.626 0.3 . 1 . . . . . 45 TYR CB . 27286 1 170 . 1 1 46 46 TYR N N 15 125.747 0.3 . 1 . . . . . 45 TYR N . 27286 1 171 . 1 1 47 47 GLU H H 1 8.701 0.020 . 1 . . . . . 46 GLU H . 27286 1 172 . 1 1 47 47 GLU C C 13 174.077 0.3 . 1 . . . . . 46 GLU C . 27286 1 173 . 1 1 47 47 GLU CA C 13 52.192 0.3 . 1 . . . . . 46 GLU CA . 27286 1 174 . 1 1 47 47 GLU CB C 13 31.581 0.3 . 1 . . . . . 46 GLU CB . 27286 1 175 . 1 1 47 47 GLU N N 15 121.933 0.3 . 1 . . . . . 46 GLU N . 27286 1 176 . 1 1 49 49 ARG H H 1 7.914 0.020 . 1 . . . . . 48 ARG H . 27286 1 177 . 1 1 49 49 ARG C C 13 173.818 0.3 . 1 . . . . . 48 ARG C . 27286 1 178 . 1 1 49 49 ARG CA C 13 52.150 0.3 . 1 . . . . . 48 ARG CA . 27286 1 179 . 1 1 49 49 ARG CB C 13 31.204 0.3 . 1 . . . . . 48 ARG CB . 27286 1 180 . 1 1 49 49 ARG N N 15 119.366 0.3 . 1 . . . . . 48 ARG N . 27286 1 181 . 1 1 50 50 ALA H H 1 6.738 0.020 . 1 . . . . . 49 ALA H . 27286 1 182 . 1 1 50 50 ALA C C 13 178.701 0.3 . 1 . . . . . 49 ALA C . 27286 1 183 . 1 1 50 50 ALA CA C 13 49.542 0.3 . 1 . . . . . 49 ALA CA . 27286 1 184 . 1 1 50 50 ALA CB C 13 19.820 0.3 . 1 . . . . . 49 ALA CB . 27286 1 185 . 1 1 50 50 ALA N N 15 120.110 0.3 . 1 . . . . . 49 ALA N . 27286 1 186 . 1 1 52 52 TRP H H 1 6.861 0.020 . 1 . . . . . 51 TRP H . 27286 1 187 . 1 1 52 52 TRP C C 13 178.005 0.3 . 1 . . . . . 51 TRP C . 27286 1 188 . 1 1 52 52 TRP CA C 13 55.336 0.3 . 1 . . . . . 51 TRP CA . 27286 1 189 . 1 1 52 52 TRP CB C 13 27.305 0.3 . 1 . . . . . 51 TRP CB . 27286 1 190 . 1 1 52 52 TRP N N 15 113.922 0.3 . 1 . . . . . 51 TRP N . 27286 1 191 . 1 1 53 53 MET H H 1 7.222 0.020 . 1 . . . . . 52 MET H . 27286 1 192 . 1 1 53 53 MET C C 13 178.324 0.3 . 1 . . . . . 52 MET C . 27286 1 193 . 1 1 53 53 MET CA C 13 53.657 0.3 . 1 . . . . . 52 MET CA . 27286 1 194 . 1 1 53 53 MET CB C 13 30.323 0.3 . 1 . . . . . 52 MET CB . 27286 1 195 . 1 1 53 53 MET N N 15 118.984 0.3 . 1 . . . . . 52 MET N . 27286 1 196 . 1 1 54 54 GLU H H 1 7.838 0.020 . 1 . . . . . 53 GLU H . 27286 1 197 . 1 1 54 54 GLU C C 13 176.589 0.3 . 1 . . . . . 53 GLU C . 27286 1 198 . 1 1 54 54 GLU CA C 13 58.267 0.3 . 1 . . . . . 53 GLU CA . 27286 1 199 . 1 1 54 54 GLU CB C 13 28.059 0.3 . 1 . . . . . 53 GLU CB . 27286 1 200 . 1 1 54 54 GLU N N 15 120.110 0.3 . 1 . . . . . 53 GLU N . 27286 1 201 . 1 1 55 55 GLN H H 1 7.442 0.020 . 1 . . . . . 54 GLN H . 27286 1 202 . 1 1 55 55 GLN C C 13 177.149 0.3 . 1 . . . . . 54 GLN C . 27286 1 203 . 1 1 55 55 GLN CA C 13 56.082 0.3 . 1 . . . . . 54 GLN CA . 27286 1 204 . 1 1 55 55 GLN CB C 13 28.877 0.3 . 1 . . . . . 54 GLN CB . 27286 1 205 . 1 1 55 55 GLN N N 15 114.765 0.3 . 1 . . . . . 54 GLN N . 27286 1 206 . 1 1 56 56 GLU H H 1 7.442 0.020 . 1 . . . . . 55 GLU H . 27286 1 207 . 1 1 56 56 GLU C C 13 177.822 0.3 . 1 . . . . . 55 GLU C . 27286 1 208 . 1 1 56 56 GLU CA C 13 55.816 0.3 . 1 . . . . . 55 GLU CA . 27286 1 209 . 1 1 56 56 GLU CB C 13 28.248 0.3 . 1 . . . . . 55 GLU CB . 27286 1 210 . 1 1 56 56 GLU N N 15 120.672 0.3 . 1 . . . . . 55 GLU N . 27286 1 211 . 1 1 57 57 GLY H H 1 8.774 0.020 . 1 . . . . . 56 GLY H . 27286 1 212 . 1 1 57 57 GLY C C 13 172.228 0.3 . 1 . . . . . 56 GLY C . 27286 1 213 . 1 1 57 57 GLY CA C 13 44.571 0.3 . 1 . . . . . 56 GLY CA . 27286 1 214 . 1 1 57 57 GLY N N 15 111.630 0.3 . 1 . . . . . 56 GLY N . 27286 1 215 . 1 1 59 59 GLU H H 1 9.096 0.020 . 1 . . . . . 58 GLU H . 27286 1 216 . 1 1 59 59 GLU C C 13 178.907 0.3 . 1 . . . . . 58 GLU C . 27286 1 217 . 1 1 59 59 GLU CA C 13 58.960 0.3 . 1 . . . . . 58 GLU CA . 27286 1 218 . 1 1 59 59 GLU CB C 13 27.619 0.3 . 1 . . . . . 58 GLU CB . 27286 1 219 . 1 1 59 59 GLU N N 15 118.422 0.3 . 1 . . . . . 58 GLU N . 27286 1 220 . 1 1 60 60 TYR H H 1 7.706 0.020 . 1 . . . . . 59 TYR H . 27286 1 221 . 1 1 60 60 TYR C C 13 176.566 0.3 . 1 . . . . . 59 TYR C . 27286 1 222 . 1 1 60 60 TYR CA C 13 61.251 0.3 . 1 . . . . . 59 TYR CA . 27286 1 223 . 1 1 60 60 TYR CB C 13 37.745 0.3 . 1 . . . . . 59 TYR CB . 27286 1 224 . 1 1 60 60 TYR N N 15 123.204 0.3 . 1 . . . . . 59 TYR N . 27286 1 225 . 1 1 61 61 TRP H H 1 6.562 0.020 . 1 . . . . . 60 TRP H . 27286 1 226 . 1 1 61 61 TRP C C 13 179.752 0.3 . 1 . . . . . 60 TRP C . 27286 1 227 . 1 1 61 61 TRP CA C 13 57.791 0.3 . 1 . . . . . 60 TRP CA . 27286 1 228 . 1 1 61 61 TRP CB C 13 28.625 0.3 . 1 . . . . . 60 TRP CB . 27286 1 229 . 1 1 61 61 TRP N N 15 120.110 0.3 . 1 . . . . . 60 TRP N . 27286 1 230 . 1 1 62 62 GLU H H 1 8.511 0.020 . 1 . . . . . 61 GLU H . 27286 1 231 . 1 1 62 62 GLU C C 13 178.724 0.3 . 1 . . . . . 61 GLU C . 27286 1 232 . 1 1 62 62 GLU CA C 13 59.040 0.3 . 1 . . . . . 61 GLU CA . 27286 1 233 . 1 1 62 62 GLU CB C 13 28.877 0.3 . 1 . . . . . 61 GLU CB . 27286 1 234 . 1 1 62 62 GLU N N 15 122.259 0.3 . 1 . . . . . 61 GLU N . 27286 1 235 . 1 1 63 63 ARG H H 1 7.723 0.020 . 1 . . . . . 62 ARG H . 27286 1 236 . 1 1 63 63 ARG C C 13 179.706 0.3 . 1 . . . . . 62 ARG C . 27286 1 237 . 1 1 63 63 ARG CA C 13 58.374 0.3 . 1 . . . . . 62 ARG CA . 27286 1 238 . 1 1 63 63 ARG CB C 13 28.688 0.3 . 1 . . . . . 62 ARG CB . 27286 1 239 . 1 1 63 63 ARG N N 15 120.110 0.3 . 1 . . . . . 62 ARG N . 27286 1 240 . 1 1 64 64 GLU H H 1 8.080 0.020 . 1 . . . . . 63 GLU H . 27286 1 241 . 1 1 64 64 GLU C C 13 178.850 0.3 . 1 . . . . . 63 GLU C . 27286 1 242 . 1 1 64 64 GLU CA C 13 58.054 0.3 . 1 . . . . . 63 GLU CA . 27286 1 243 . 1 1 64 64 GLU CB C 13 26.487 0.3 . 1 . . . . . 63 GLU CB . 27286 1 244 . 1 1 64 64 GLU N N 15 118.217 0.3 . 1 . . . . . 63 GLU N . 27286 1 245 . 1 1 65 65 THR H H 1 8.129 0.020 . 1 . . . . . 64 THR H . 27286 1 246 . 1 1 65 65 THR CA C 13 68.406 0.3 . 1 . . . . . 64 THR CA . 27286 1 247 . 1 1 65 65 THR N N 15 117.850 0.3 . 1 . . . . . 64 THR N . 27286 1 248 . 1 1 66 66 GLN H H 1 7.908 0.020 . 1 . . . . . 65 GLN H . 27286 1 249 . 1 1 66 66 GLN C C 13 179.443 0.3 . 1 . . . . . 65 GLN C . 27286 1 250 . 1 1 66 66 GLN CA C 13 58.800 0.3 . 1 . . . . . 65 GLN CA . 27286 1 251 . 1 1 66 66 GLN CB C 13 27.242 0.3 . 1 . . . . . 65 GLN CB . 27286 1 252 . 1 1 66 66 GLN N N 15 121.265 0.3 . 1 . . . . . 65 GLN N . 27286 1 253 . 1 1 67 67 LYS H H 1 7.653 0.020 . 1 . . . . . 66 LYS H . 27286 1 254 . 1 1 67 67 LYS C C 13 178.633 0.3 . 1 . . . . . 66 LYS C . 27286 1 255 . 1 1 67 67 LYS CA C 13 58.640 0.3 . 1 . . . . . 66 LYS CA . 27286 1 256 . 1 1 67 67 LYS CB C 13 30.575 0.3 . 1 . . . . . 66 LYS CB . 27286 1 257 . 1 1 67 67 LYS N N 15 121.797 0.3 . 1 . . . . . 66 LYS N . 27286 1 258 . 1 1 68 68 ALA H H 1 8.105 0.020 . 1 . . . . . 67 ALA H . 27286 1 259 . 1 1 68 68 ALA C C 13 179.181 0.3 . 1 . . . . . 67 ALA C . 27286 1 260 . 1 1 68 68 ALA CA C 13 54.510 0.3 . 1 . . . . . 67 ALA CA . 27286 1 261 . 1 1 68 68 ALA CB C 13 15.921 0.3 . 1 . . . . . 67 ALA CB . 27286 1 262 . 1 1 68 68 ALA N N 15 124.658 0.3 . 1 . . . . . 67 ALA N . 27286 1 263 . 1 1 69 69 LYS H H 1 8.079 0.020 . 1 . . . . . 68 LYS H . 27286 1 264 . 1 1 69 69 LYS C C 13 180.836 0.3 . 1 . . . . . 68 LYS C . 27286 1 265 . 1 1 69 69 LYS CA C 13 58.587 0.3 . 1 . . . . . 68 LYS CA . 27286 1 266 . 1 1 69 69 LYS CB C 13 31.141 0.3 . 1 . . . . . 68 LYS CB . 27286 1 267 . 1 1 69 69 LYS N N 15 116.899 0.3 . 1 . . . . . 68 LYS N . 27286 1 268 . 1 1 70 70 GLY H H 1 7.722 0.020 . 1 . . . . . 69 GLY H . 27286 1 269 . 1 1 70 70 GLY C C 13 176.715 0.3 . 1 . . . . . 69 GLY C . 27286 1 270 . 1 1 70 70 GLY CA C 13 46.516 0.3 . 1 . . . . . 69 GLY CA . 27286 1 271 . 1 1 70 70 GLY N N 15 109.339 0.3 . 1 . . . . . 69 GLY N . 27286 1 272 . 1 1 71 71 ASN H H 1 8.401 0.020 . 1 . . . . . 70 ASN H . 27286 1 273 . 1 1 71 71 ASN C C 13 176.669 0.3 . 1 . . . . . 70 ASN C . 27286 1 274 . 1 1 71 71 ASN CA C 13 55.016 0.3 . 1 . . . . . 70 ASN CA . 27286 1 275 . 1 1 71 71 ASN CB C 13 37.682 0.3 . 1 . . . . . 70 ASN CB . 27286 1 276 . 1 1 71 71 ASN N N 15 125.172 0.3 . 1 . . . . . 70 ASN N . 27286 1 277 . 1 1 72 72 GLU H H 1 8.771 0.020 . 1 . . . . . 71 GLU H . 27286 1 278 . 1 1 72 72 GLU C C 13 178.838 0.3 . 1 . . . . . 71 GLU C . 27286 1 279 . 1 1 72 72 GLU CA C 13 58.693 0.3 . 1 . . . . . 71 GLU CA . 27286 1 280 . 1 1 72 72 GLU CB C 13 28.940 0.3 . 1 . . . . . 71 GLU CB . 27286 1 281 . 1 1 72 72 GLU N N 15 123.766 0.3 . 1 . . . . . 71 GLU N . 27286 1 282 . 1 1 73 73 GLN H H 1 6.887 0.020 . 1 . . . . . 72 GLN H . 27286 1 283 . 1 1 73 73 GLN C C 13 178.439 0.3 . 1 . . . . . 72 GLN C . 27286 1 284 . 1 1 73 73 GLN CA C 13 57.947 0.3 . 1 . . . . . 72 GLN CA . 27286 1 285 . 1 1 73 73 GLN CB C 13 26.990 0.3 . 1 . . . . . 72 GLN CB . 27286 1 286 . 1 1 73 73 GLN N N 15 115.328 0.3 . 1 . . . . . 72 GLN N . 27286 1 287 . 1 1 74 74 SER H H 1 7.591 0.020 . 1 . . . . . 73 SER H . 27286 1 288 . 1 1 74 74 SER CA C 13 60.772 0.3 . 1 . . . . . 73 SER CA . 27286 1 289 . 1 1 74 74 SER CB C 13 62.337 0.3 . 1 . . . . . 73 SER CB . 27286 1 290 . 1 1 74 74 SER N N 15 116.734 0.3 . 1 . . . . . 73 SER N . 27286 1 291 . 1 1 75 75 PHE H H 1 8.920 0.020 . 1 . . . . . 74 PHE H . 27286 1 292 . 1 1 75 75 PHE C C 13 178.496 0.3 . 1 . . . . . 74 PHE C . 27286 1 293 . 1 1 75 75 PHE CA C 13 62.024 0.3 . 1 . . . . . 74 PHE CA . 27286 1 294 . 1 1 75 75 PHE CB C 13 37.808 0.3 . 1 . . . . . 74 PHE CB . 27286 1 295 . 1 1 75 75 PHE N N 15 120.110 0.3 . 1 . . . . . 74 PHE N . 27286 1 296 . 1 1 76 76 ARG H H 1 7.770 0.020 . 1 . . . . . 75 ARG H . 27286 1 297 . 1 1 76 76 ARG C C 13 180.071 0.3 . 1 . . . . . 75 ARG C . 27286 1 298 . 1 1 76 76 ARG CA C 13 60.052 0.3 . 1 . . . . . 75 ARG CA . 27286 1 299 . 1 1 76 76 ARG CB C 13 29.506 0.3 . 1 . . . . . 75 ARG CB . 27286 1 300 . 1 1 76 76 ARG N N 15 119.643 0.3 . 1 . . . . . 75 ARG N . 27286 1 301 . 1 1 77 77 VAL H H 1 7.010 0.020 . 1 . . . . . 76 VAL H . 27286 1 302 . 1 1 77 77 VAL C C 13 178.073 0.3 . 1 . . . . . 76 VAL C . 27286 1 303 . 1 1 77 77 VAL CA C 13 65.994 0.3 . 1 . . . . . 76 VAL CA . 27286 1 304 . 1 1 77 77 VAL CB C 13 30.072 0.3 . 1 . . . . . 76 VAL CB . 27286 1 305 . 1 1 77 77 VAL N N 15 120.953 0.3 . 1 . . . . . 76 VAL N . 27286 1 306 . 1 1 78 78 ASP H H 1 8.156 0.020 . 1 . . . . . 77 ASP H . 27286 1 307 . 1 1 78 78 ASP CA C 13 57.548 0.3 . 1 . . . . . 77 ASP CA . 27286 1 308 . 1 1 78 78 ASP CB C 13 40.324 0.3 . 1 . . . . . 77 ASP CB . 27286 1 309 . 1 1 78 78 ASP N N 15 122.139 0.3 . 1 . . . . . 77 ASP N . 27286 1 310 . 1 1 79 79 LEU H H 1 8.027 0.020 . 1 . . . . . 78 LEU H . 27286 1 311 . 1 1 79 79 LEU C C 13 179.957 0.3 . 1 . . . . . 78 LEU C . 27286 1 312 . 1 1 79 79 LEU CA C 13 58.294 0.3 . 1 . . . . . 78 LEU CA . 27286 1 313 . 1 1 79 79 LEU CB C 13 41.393 0.3 . 1 . . . . . 78 LEU CB . 27286 1 314 . 1 1 79 79 LEU N N 15 119.408 0.3 . 1 . . . . . 78 LEU N . 27286 1 315 . 1 1 80 80 ARG H H 1 6.966 0.020 . 1 . . . . . 79 ARG H . 27286 1 316 . 1 1 80 80 ARG C C 13 179.706 0.3 . 1 . . . . . 79 ARG C . 27286 1 317 . 1 1 80 80 ARG CA C 13 58.939 0.3 . 1 . . . . . 79 ARG CA . 27286 1 318 . 1 1 80 80 ARG CB C 13 28.751 0.3 . 1 . . . . . 79 ARG CB . 27286 1 319 . 1 1 80 80 ARG N N 15 119.828 0.3 . 1 . . . . . 79 ARG N . 27286 1 320 . 1 1 81 81 THR H H 1 9.132 0.020 . 1 . . . . . 80 THR H . 27286 1 321 . 1 1 81 81 THR C C 13 177.331 0.3 . 1 . . . . . 80 THR C . 27286 1 322 . 1 1 81 81 THR CA C 13 64.875 0.3 . 1 . . . . . 80 THR CA . 27286 1 323 . 1 1 81 81 THR CB C 13 67.180 0.3 . 1 . . . . . 80 THR CB . 27286 1 324 . 1 1 81 81 THR N N 15 122.641 0.3 . 1 . . . . . 80 THR N . 27286 1 325 . 1 1 82 82 LEU H H 1 8.113 0.020 . 1 . . . . . 81 LEU H . 27286 1 326 . 1 1 82 82 LEU C C 13 178.313 0.3 . 1 . . . . . 81 LEU C . 27286 1 327 . 1 1 82 82 LEU CA C 13 58.187 0.3 . 1 . . . . . 81 LEU CA . 27286 1 328 . 1 1 82 82 LEU CB C 13 39.946 0.3 . 1 . . . . . 81 LEU CB . 27286 1 329 . 1 1 82 82 LEU N N 15 122.521 0.3 . 1 . . . . . 81 LEU N . 27286 1 330 . 1 1 83 83 LEU H H 1 6.930 0.020 . 1 . . . . . 82 LEU H . 27286 1 331 . 1 1 83 83 LEU C C 13 180.813 0.3 . 1 . . . . . 82 LEU C . 27286 1 332 . 1 1 83 83 LEU CA C 13 57.814 0.3 . 1 . . . . . 82 LEU CA . 27286 1 333 . 1 1 83 83 LEU CB C 13 40.512 0.3 . 1 . . . . . 82 LEU CB . 27286 1 334 . 1 1 83 83 LEU N N 15 118.009 0.3 . 1 . . . . . 82 LEU N . 27286 1 335 . 1 1 84 84 GLY H H 1 7.104 0.020 . 1 . . . . . 83 GLY H . 27286 1 336 . 1 1 84 84 GLY C C 13 177.377 0.3 . 1 . . . . . 83 GLY C . 27286 1 337 . 1 1 84 84 GLY CA C 13 46.250 0.3 . 1 . . . . . 83 GLY CA . 27286 1 338 . 1 1 84 84 GLY N N 15 103.977 0.3 . 1 . . . . . 83 GLY N . 27286 1 339 . 1 1 85 85 TYR H H 1 8.140 0.020 . 1 . . . . . 84 TYR H . 27286 1 340 . 1 1 85 85 TYR C C 13 178.981 0.3 . 1 . . . . . 84 TYR C . 27286 1 341 . 1 1 85 85 TYR CA C 13 56.795 0.3 . 1 . . . . . 84 TYR CA . 27286 1 342 . 1 1 85 85 TYR CB C 13 36.203 0.3 . 1 . . . . . 84 TYR CB . 27286 1 343 . 1 1 85 85 TYR N N 15 122.922 0.3 . 1 . . . . . 84 TYR N . 27286 1 344 . 1 1 86 86 TYR H H 1 7.847 0.020 . 1 . . . . . 85 TYR H . 27286 1 345 . 1 1 86 86 TYR C C 13 174.968 0.3 . 1 . . . . . 85 TYR C . 27286 1 346 . 1 1 86 86 TYR CA C 13 59.226 0.3 . 1 . . . . . 85 TYR CA . 27286 1 347 . 1 1 86 86 TYR CB C 13 37.682 0.3 . 1 . . . . . 85 TYR CB . 27286 1 348 . 1 1 86 86 TYR N N 15 113.640 0.3 . 1 . . . . . 85 TYR N . 27286 1 349 . 1 1 87 87 ASN H H 1 7.776 0.020 . 1 . . . . . 86 ASN H . 27286 1 350 . 1 1 87 87 ASN C C 13 174.988 0.3 . 1 . . . . . 86 ASN C . 27286 1 351 . 1 1 87 87 ASN CA C 13 54.057 0.3 . 1 . . . . . 86 ASN CA . 27286 1 352 . 1 1 87 87 ASN CB C 13 36.676 0.3 . 1 . . . . . 86 ASN CB . 27286 1 353 . 1 1 87 87 ASN N N 15 120.953 0.3 . 1 . . . . . 86 ASN N . 27286 1 354 . 1 1 88 88 GLN H H 1 8.612 0.020 . 1 . . . . . 87 GLN H . 27286 1 355 . 1 1 88 88 GLN C C 13 176.235 0.3 . 1 . . . . . 87 GLN C . 27286 1 356 . 1 1 88 88 GLN CA C 13 54.297 0.3 . 1 . . . . . 87 GLN CA . 27286 1 357 . 1 1 88 88 GLN CB C 13 30.198 0.3 . 1 . . . . . 87 GLN CB . 27286 1 358 . 1 1 88 88 GLN N N 15 118.336 0.3 . 1 . . . . . 87 GLN N . 27286 1 359 . 1 1 89 89 SER H H 1 8.331 0.020 . 1 . . . . . 88 SER H . 27286 1 360 . 1 1 89 89 SER CA C 13 57.548 0.3 . 1 . . . . . 88 SER CA . 27286 1 361 . 1 1 89 89 SER CB C 13 63.532 0.3 . 1 . . . . . 88 SER CB . 27286 1 362 . 1 1 89 89 SER N N 15 115.890 0.3 . 1 . . . . . 88 SER N . 27286 1 363 . 1 1 92 92 GLY H H 1 7.732 0.020 . 1 . . . . . 91 GLY H . 27286 1 364 . 1 1 92 92 GLY C C 13 172.342 0.3 . 1 . . . . . 91 GLY C . 27286 1 365 . 1 1 92 92 GLY CA C 13 43.372 0.3 . 1 . . . . . 91 GLY CA . 27286 1 366 . 1 1 92 92 GLY N N 15 108.859 0.3 . 1 . . . . . 91 GLY N . 27286 1 367 . 1 1 93 93 SER H H 1 7.926 0.020 . 1 . . . . . 92 SER H . 27286 1 368 . 1 1 93 93 SER C C 13 173.947 0.3 . 1 . . . . . 92 SER C . 27286 1 369 . 1 1 93 93 SER CA C 13 56.428 0.3 . 1 . . . . . 92 SER CA . 27286 1 370 . 1 1 93 93 SER CB C 13 63.155 0.3 . 1 . . . . . 92 SER CB . 27286 1 371 . 1 1 93 93 SER N N 15 115.328 0.3 . 1 . . . . . 92 SER N . 27286 1 372 . 1 1 94 94 HIS H H 1 8.234 0.020 . 1 . . . . . 93 HIS H . 27286 1 373 . 1 1 94 94 HIS C C 13 173.084 0.3 . 1 . . . . . 93 HIS C . 27286 1 374 . 1 1 94 94 HIS CA C 13 54.297 0.3 . 1 . . . . . 93 HIS CA . 27286 1 375 . 1 1 94 94 HIS CB C 13 32.776 0.3 . 1 . . . . . 93 HIS CB . 27286 1 376 . 1 1 94 94 HIS N N 15 125.172 0.3 . 1 . . . . . 93 HIS N . 27286 1 377 . 1 1 95 95 THR H H 1 8.463 0.020 . 1 . . . . . 94 THR H . 27286 1 378 . 1 1 95 95 THR C C 13 174.466 0.3 . 1 . . . . . 94 THR C . 27286 1 379 . 1 1 95 95 THR CA C 13 60.905 0.3 . 1 . . . . . 94 THR CA . 27286 1 380 . 1 1 95 95 THR CB C 13 72.211 0.3 . 1 . . . . . 94 THR CB . 27286 1 381 . 1 1 95 95 THR N N 15 114.484 0.3 . 1 . . . . . 94 THR N . 27286 1 382 . 1 1 96 96 ILE H H 1 9.361 0.020 . 1 . . . . . 95 ILE H . 27286 1 383 . 1 1 96 96 ILE C C 13 174.089 0.3 . 1 . . . . . 95 ILE C . 27286 1 384 . 1 1 96 96 ILE CA C 13 60.185 0.3 . 1 . . . . . 95 ILE CA . 27286 1 385 . 1 1 96 96 ILE CB C 13 40.638 0.3 . 1 . . . . . 95 ILE CB . 27286 1 386 . 1 1 96 96 ILE N N 15 127.985 0.3 . 1 . . . . . 95 ILE N . 27286 1 387 . 1 1 97 97 GLN H H 1 8.859 0.020 . 1 . . . . . 96 GLN H . 27286 1 388 . 1 1 97 97 GLN C C 13 174.226 0.3 . 1 . . . . . 96 GLN C . 27286 1 389 . 1 1 97 97 GLN CA C 13 53.417 0.3 . 1 . . . . . 96 GLN CA . 27286 1 390 . 1 1 97 97 GLN CB C 13 33.280 0.3 . 1 . . . . . 96 GLN CB . 27286 1 391 . 1 1 97 97 GLN N N 15 126.860 0.3 . 1 . . . . . 96 GLN N . 27286 1 392 . 1 1 98 98 VAL H H 1 9.262 0.020 . 1 . . . . . 97 VAL H . 27286 1 393 . 1 1 98 98 VAL C C 13 175.014 0.3 . 1 . . . . . 97 VAL C . 27286 1 394 . 1 1 98 98 VAL CA C 13 59.653 0.3 . 1 . . . . . 97 VAL CA . 27286 1 395 . 1 1 98 98 VAL CB C 13 33.405 0.3 . 1 . . . . . 97 VAL CB . 27286 1 396 . 1 1 98 98 VAL N N 15 126.929 0.3 . 1 . . . . . 97 VAL N . 27286 1 397 . 1 1 99 99 ILE H H 1 8.392 0.020 . 1 . . . . . 98 ILE H . 27286 1 398 . 1 1 99 99 ILE C C 13 175.014 0.3 . 1 . . . . . 98 ILE C . 27286 1 399 . 1 1 99 99 ILE CA C 13 59.919 0.3 . 1 . . . . . 98 ILE CA . 27286 1 400 . 1 1 99 99 ILE CB C 13 40.135 0.3 . 1 . . . . . 98 ILE CB . 27286 1 401 . 1 1 99 99 ILE N N 15 126.748 0.3 . 1 . . . . . 98 ILE N . 27286 1 402 . 1 1 102 102 CYS H H 1 9.025 0.020 . 1 . . . . . 101 CYS H . 27286 1 403 . 1 1 102 102 CYS CA C 13 53.044 0.3 . 1 . . . . . 101 CYS CA . 27286 1 404 . 1 1 102 102 CYS CB C 13 47.808 0.3 . 1 . . . . . 101 CYS CB . 27286 1 405 . 1 1 102 102 CYS N N 15 110.452 0.3 . 1 . . . . . 101 CYS N . 27286 1 406 . 1 1 103 103 GLU H H 1 8.577 0.020 . 1 . . . . . 102 GLU H . 27286 1 407 . 1 1 103 103 GLU C C 13 176.007 0.3 . 1 . . . . . 102 GLU C . 27286 1 408 . 1 1 103 103 GLU CA C 13 53.897 0.3 . 1 . . . . . 102 GLU CA . 27286 1 409 . 1 1 103 103 GLU CB C 13 32.147 0.3 . 1 . . . . . 102 GLU CB . 27286 1 410 . 1 1 103 103 GLU N N 15 120.953 0.3 . 1 . . . . . 102 GLU N . 27286 1 411 . 1 1 104 104 VAL H H 1 8.955 0.020 . 1 . . . . . 103 VAL H . 27286 1 412 . 1 1 104 104 VAL C C 13 175.379 0.3 . 1 . . . . . 103 VAL C . 27286 1 413 . 1 1 104 104 VAL CA C 13 59.306 0.3 . 1 . . . . . 103 VAL CA . 27286 1 414 . 1 1 104 104 VAL CB C 13 34.412 0.3 . 1 . . . . . 103 VAL CB . 27286 1 415 . 1 1 104 104 VAL N N 15 122.027 0.3 . 1 . . . . . 103 VAL N . 27286 1 416 . 1 1 105 105 GLY H H 1 8.366 0.020 . 1 . . . . . 104 GLY H . 27286 1 417 . 1 1 105 105 GLY C C 13 176.110 0.3 . 1 . . . . . 104 GLY C . 27286 1 418 . 1 1 105 105 GLY CA C 13 43.665 0.3 . 1 . . . . . 104 GLY CA . 27286 1 419 . 1 1 105 105 GLY N N 15 109.702 0.3 . 1 . . . . . 104 GLY N . 27286 1 420 . 1 1 107 107 ASP H H 1 7.948 0.020 . 1 . . . . . 106 ASP H . 27286 1 421 . 1 1 107 107 ASP C C 13 177.160 0.3 . 1 . . . . . 106 ASP C . 27286 1 422 . 1 1 107 107 ASP CA C 13 52.618 0.3 . 1 . . . . . 106 ASP CA . 27286 1 423 . 1 1 107 107 ASP CB C 13 39.569 0.3 . 1 . . . . . 106 ASP CB . 27286 1 424 . 1 1 107 107 ASP N N 15 119.139 0.3 . 1 . . . . . 106 ASP N . 27286 1 425 . 1 1 108 108 GLY H H 1 8.014 0.020 . 1 . . . . . 107 GLY H . 27286 1 426 . 1 1 108 108 GLY C C 13 173.358 0.3 . 1 . . . . . 107 GLY C . 27286 1 427 . 1 1 108 108 GLY CA C 13 44.971 0.3 . 1 . . . . . 107 GLY CA . 27286 1 428 . 1 1 108 108 GLY N N 15 108.577 0.3 . 1 . . . . . 107 GLY N . 27286 1 429 . 1 1 109 109 ARG H H 1 7.486 0.020 . 1 . . . . . 108 ARG H . 27286 1 430 . 1 1 109 109 ARG C C 13 176.178 0.3 . 1 . . . . . 108 ARG C . 27286 1 431 . 1 1 109 109 ARG CA C 13 54.587 0.3 . 1 . . . . . 108 ARG CA . 27286 1 432 . 1 1 109 109 ARG CB C 13 30.198 0.3 . 1 . . . . . 108 ARG CB . 27286 1 433 . 1 1 109 109 ARG N N 15 119.638 0.3 . 1 . . . . . 108 ARG N . 27286 1 434 . 1 1 110 110 LEU H H 1 8.565 0.020 . 1 . . . . . 109 LEU H . 27286 1 435 . 1 1 110 110 LEU C C 13 176.201 0.3 . 1 . . . . . 109 LEU C . 27286 1 436 . 1 1 110 110 LEU CA C 13 56.482 0.3 . 1 . . . . . 109 LEU CA . 27286 1 437 . 1 1 110 110 LEU CB C 13 41.141 0.3 . 1 . . . . . 109 LEU CB . 27286 1 438 . 1 1 110 110 LEU N N 15 123.356 0.3 . 1 . . . . . 109 LEU N . 27286 1 439 . 1 1 111 111 LEU H H 1 9.380 0.020 . 1 . . . . . 110 LEU H . 27286 1 440 . 1 1 111 111 LEU CA C 13 55.363 0.3 . 1 . . . . . 110 LEU CA . 27286 1 441 . 1 1 111 111 LEU CB C 13 43.217 0.3 . 1 . . . . . 110 LEU CB . 27286 1 442 . 1 1 111 111 LEU N N 15 130.482 0.3 . 1 . . . . . 110 LEU N . 27286 1 443 . 1 1 112 112 ARG H H 1 7.359 0.020 . 1 . . . . . 111 ARG H . 27286 1 444 . 1 1 112 112 ARG CA C 13 55.283 0.3 . 1 . . . . . 111 ARG CA . 27286 1 445 . 1 1 112 112 ARG CB C 13 32.902 0.3 . 1 . . . . . 111 ARG CB . 27286 1 446 . 1 1 112 112 ARG N N 15 115.805 0.3 . 1 . . . . . 111 ARG N . 27286 1 447 . 1 1 116 116 GLN H H 1 8.262 0.020 . 1 . . . . . 115 GLN H . 27286 1 448 . 1 1 116 116 GLN CA C 13 54.883 0.3 . 1 . . . . . 115 GLN CA . 27286 1 449 . 1 1 116 116 GLN N N 15 119.144 0.3 . 1 . . . . . 115 GLN N . 27286 1 450 . 1 1 117 117 TYR H H 1 9.704 0.020 . 1 . . . . . 116 TYR H . 27286 1 451 . 1 1 117 117 TYR C C 13 175.973 0.3 . 1 . . . . . 116 TYR C . 27286 1 452 . 1 1 117 117 TYR CA C 13 57.041 0.3 . 1 . . . . . 116 TYR CA . 27286 1 453 . 1 1 117 117 TYR CB C 13 42.840 0.3 . 1 . . . . . 116 TYR CB . 27286 1 454 . 1 1 117 117 TYR N N 15 125.735 0.3 . 1 . . . . . 116 TYR N . 27286 1 455 . 1 1 118 118 ALA H H 1 9.686 0.020 . 1 . . . . . 117 ALA H . 27286 1 456 . 1 1 118 118 ALA C C 13 175.585 0.3 . 1 . . . . . 117 ALA C . 27286 1 457 . 1 1 118 118 ALA CA C 13 51.232 0.3 . 1 . . . . . 117 ALA CA . 27286 1 458 . 1 1 118 118 ALA CB C 13 22.084 0.3 . 1 . . . . . 117 ALA CB . 27286 1 459 . 1 1 118 118 ALA N N 15 126.860 0.3 . 1 . . . . . 117 ALA N . 27286 1 460 . 1 1 119 119 TYR H H 1 9.052 0.020 . 1 . . . . . 118 TYR H . 27286 1 461 . 1 1 119 119 TYR C C 13 175.904 0.3 . 1 . . . . . 118 TYR C . 27286 1 462 . 1 1 119 119 TYR CA C 13 54.217 0.3 . 1 . . . . . 118 TYR CA . 27286 1 463 . 1 1 119 119 TYR CB C 13 39.632 0.3 . 1 . . . . . 118 TYR CB . 27286 1 464 . 1 1 119 119 TYR N N 15 123.204 0.3 . 1 . . . . . 118 TYR N . 27286 1 465 . 1 1 120 120 ASP H H 1 9.713 0.020 . 1 . . . . . 119 ASP H . 27286 1 466 . 1 1 120 120 ASP C C 13 176.110 0.3 . 1 . . . . . 119 ASP C . 27286 1 467 . 1 1 120 120 ASP CA C 13 54.910 0.3 . 1 . . . . . 119 ASP CA . 27286 1 468 . 1 1 120 120 ASP CB C 13 37.682 0.3 . 1 . . . . . 119 ASP CB . 27286 1 469 . 1 1 120 120 ASP N N 15 130.798 0.3 . 1 . . . . . 119 ASP N . 27286 1 470 . 1 1 121 121 GLY H H 1 9.052 0.020 . 1 . . . . . 120 GLY H . 27286 1 471 . 1 1 121 121 GLY C C 13 174.420 0.3 . 1 . . . . . 120 GLY C . 27286 1 472 . 1 1 121 121 GLY CA C 13 44.731 0.3 . 1 . . . . . 120 GLY CA . 27286 1 473 . 1 1 121 121 GLY N N 15 103.796 0.3 . 1 . . . . . 120 GLY N . 27286 1 474 . 1 1 122 122 CYS H H 1 7.802 0.020 . 1 . . . . . 121 CYS H . 27286 1 475 . 1 1 122 122 CYS C C 13 173.689 0.3 . 1 . . . . . 121 CYS C . 27286 1 476 . 1 1 122 122 CYS CA C 13 56.961 0.3 . 1 . . . . . 121 CYS CA . 27286 1 477 . 1 1 122 122 CYS CB C 13 29.191 0.3 . 1 . . . . . 121 CYS CB . 27286 1 478 . 1 1 122 122 CYS N N 15 120.852 0.3 . 1 . . . . . 121 CYS N . 27286 1 479 . 1 1 123 123 ASP H H 1 8.648 0.020 . 1 . . . . . 122 ASP H . 27286 1 480 . 1 1 123 123 ASP C C 13 174.671 0.3 . 1 . . . . . 122 ASP C . 27286 1 481 . 1 1 123 123 ASP CA C 13 56.588 0.3 . 1 . . . . . 122 ASP CA . 27286 1 482 . 1 1 123 123 ASP CB C 13 40.198 0.3 . 1 . . . . . 122 ASP CB . 27286 1 483 . 1 1 123 123 ASP N N 15 124.610 0.3 . 1 . . . . . 122 ASP N . 27286 1 484 . 1 1 124 124 TYR H H 1 8.493 0.020 . 1 . . . . . 123 TYR H . 27286 1 485 . 1 1 124 124 TYR CA C 13 60.159 0.3 . 1 . . . . . 123 TYR CA . 27286 1 486 . 1 1 124 124 TYR CB C 13 40.324 0.3 . 1 . . . . . 123 TYR CB . 27286 1 487 . 1 1 124 124 TYR N N 15 123.479 0.3 . 1 . . . . . 123 TYR N . 27286 1 488 . 1 1 125 125 ILE H H 1 7.433 0.020 . 1 . . . . . 124 ILE H . 27286 1 489 . 1 1 125 125 ILE C C 13 171.988 0.3 . 1 . . . . . 124 ILE C . 27286 1 490 . 1 1 125 125 ILE CA C 13 59.786 0.3 . 1 . . . . . 124 ILE CA . 27286 1 491 . 1 1 125 125 ILE CB C 13 41.645 0.3 . 1 . . . . . 124 ILE CB . 27286 1 492 . 1 1 125 125 ILE N N 15 116.734 0.3 . 1 . . . . . 124 ILE N . 27286 1 493 . 1 1 126 126 ALA H H 1 8.235 0.020 . 1 . . . . . 125 ALA H . 27286 1 494 . 1 1 126 126 ALA CA C 13 50.939 0.3 . 1 . . . . . 125 ALA CA . 27286 1 495 . 1 1 126 126 ALA CB C 13 22.210 0.3 . 1 . . . . . 125 ALA CB . 27286 1 496 . 1 1 126 126 ALA N N 15 127.290 0.3 . 1 . . . . . 125 ALA N . 27286 1 497 . 1 1 128 128 ASN H H 1 8.823 0.020 . 1 . . . . . 127 ASN H . 27286 1 498 . 1 1 128 128 ASN CA C 13 52.778 0.3 . 1 . . . . . 127 ASN CA . 27286 1 499 . 1 1 128 128 ASN CB C 13 37.682 0.3 . 1 . . . . . 127 ASN CB . 27286 1 500 . 1 1 128 128 ASN N N 15 127.136 0.3 . 1 . . . . . 127 ASN N . 27286 1 501 . 1 1 129 129 GLU H H 1 8.753 0.020 . 1 . . . . . 128 GLU H . 27286 1 502 . 1 1 129 129 GLU C C 13 176.075 0.3 . 1 . . . . . 128 GLU C . 27286 1 503 . 1 1 129 129 GLU CA C 13 58.453 0.3 . 1 . . . . . 128 GLU CA . 27286 1 504 . 1 1 129 129 GLU CB C 13 28.625 0.3 . 1 . . . . . 128 GLU CB . 27286 1 505 . 1 1 129 129 GLU N N 15 120.391 0.3 . 1 . . . . . 128 GLU N . 27286 1 506 . 1 1 130 130 ASP H H 1 7.291 0.020 . 1 . . . . . 129 ASP H . 27286 1 507 . 1 1 130 130 ASP CA C 13 53.790 0.3 . 1 . . . . . 129 ASP CA . 27286 1 508 . 1 1 130 130 ASP CB C 13 39.317 0.3 . 1 . . . . . 129 ASP CB . 27286 1 509 . 1 1 130 130 ASP N N 15 116.803 0.3 . 1 . . . . . 129 ASP N . 27286 1 510 . 1 1 131 131 LEU H H 1 8.212 0.020 . 1 . . . . . 130 LEU H . 27286 1 511 . 1 1 131 131 LEU CA C 13 55.816 0.3 . 1 . . . . . 130 LEU CA . 27286 1 512 . 1 1 131 131 LEU CB C 13 38.311 0.3 . 1 . . . . . 130 LEU CB . 27286 1 513 . 1 1 131 131 LEU N N 15 115.440 0.3 . 1 . . . . . 130 LEU N . 27286 1 514 . 1 1 136 136 ALA H H 1 9.065 0.020 . 1 . . . . . 135 ALA H . 27286 1 515 . 1 1 136 136 ALA C C 13 176.669 0.3 . 1 . . . . . 135 ALA C . 27286 1 516 . 1 1 136 136 ALA CA C 13 49.873 0.3 . 1 . . . . . 135 ALA CA . 27286 1 517 . 1 1 136 136 ALA CB C 13 19.694 0.3 . 1 . . . . . 135 ALA CB . 27286 1 518 . 1 1 136 136 ALA N N 15 133.188 0.3 . 1 . . . . . 135 ALA N . 27286 1 519 . 1 1 137 137 ALA H H 1 8.275 0.020 . 1 . . . . . 136 ALA H . 27286 1 520 . 1 1 137 137 ALA C C 13 176.920 0.3 . 1 . . . . . 136 ALA C . 27286 1 521 . 1 1 137 137 ALA CA C 13 54.057 0.3 . 1 . . . . . 136 ALA CA . 27286 1 522 . 1 1 137 137 ALA CB C 13 19.946 0.3 . 1 . . . . . 136 ALA CB . 27286 1 523 . 1 1 137 137 ALA N N 15 125.168 0.3 . 1 . . . . . 136 ALA N . 27286 1 524 . 1 1 138 138 ASP H H 1 7.019 0.020 . 1 . . . . . 137 ASP H . 27286 1 525 . 1 1 138 138 ASP C C 13 175.927 0.3 . 1 . . . . . 137 ASP C . 27286 1 526 . 1 1 138 138 ASP CA C 13 52.218 0.3 . 1 . . . . . 137 ASP CA . 27286 1 527 . 1 1 138 138 ASP CB C 13 41.078 0.3 . 1 . . . . . 137 ASP CB . 27286 1 528 . 1 1 138 138 ASP N N 15 114.593 0.3 . 1 . . . . . 137 ASP N . 27286 1 529 . 1 1 139 139 MET H H 1 7.899 0.020 . 1 . . . . . 138 MET H . 27286 1 530 . 1 1 139 139 MET C C 13 177.925 0.3 . 1 . . . . . 138 MET C . 27286 1 531 . 1 1 139 139 MET CA C 13 57.627 0.3 . 1 . . . . . 138 MET CA . 27286 1 532 . 1 1 139 139 MET CB C 13 31.204 0.3 . 1 . . . . . 138 MET CB . 27286 1 533 . 1 1 139 139 MET N N 15 115.609 0.3 . 1 . . . . . 138 MET N . 27286 1 534 . 1 1 140 140 ALA H H 1 7.609 0.020 . 1 . . . . . 139 ALA H . 27286 1 535 . 1 1 140 140 ALA C C 13 177.971 0.3 . 1 . . . . . 139 ALA C . 27286 1 536 . 1 1 140 140 ALA CA C 13 54.084 0.3 . 1 . . . . . 139 ALA CA . 27286 1 537 . 1 1 140 140 ALA CB C 13 17.178 0.3 . 1 . . . . . 139 ALA CB . 27286 1 538 . 1 1 140 140 ALA N N 15 126.016 0.3 . 1 . . . . . 139 ALA N . 27286 1 539 . 1 1 141 141 ALA H H 1 7.979 0.020 . 1 . . . . . 140 ALA H . 27286 1 540 . 1 1 141 141 ALA C C 13 179.386 0.3 . 1 . . . . . 140 ALA C . 27286 1 541 . 1 1 141 141 ALA CA C 13 53.391 0.3 . 1 . . . . . 140 ALA CA . 27286 1 542 . 1 1 141 141 ALA CB C 13 18.877 0.3 . 1 . . . . . 140 ALA CB . 27286 1 543 . 1 1 141 141 ALA N N 15 118.422 0.3 . 1 . . . . . 140 ALA N . 27286 1 544 . 1 1 142 142 LEU H H 1 7.178 0.020 . 1 . . . . . 141 LEU H . 27286 1 545 . 1 1 142 142 LEU CA C 13 56.695 0.3 . 1 . . . . . 141 LEU CA . 27286 1 546 . 1 1 142 142 LEU CB C 13 40.827 0.3 . 1 . . . . . 141 LEU CB . 27286 1 547 . 1 1 142 142 LEU N N 15 118.141 0.3 . 1 . . . . . 141 LEU N . 27286 1 548 . 1 1 144 144 THR H H 1 6.442 0.020 . 1 . . . . . 143 THR H . 27286 1 549 . 1 1 144 144 THR CA C 13 66.261 0.3 . 1 . . . . . 143 THR CA . 27286 1 550 . 1 1 144 144 THR CB C 13 68.060 0.3 . 1 . . . . . 143 THR CB . 27286 1 551 . 1 1 144 144 THR N N 15 118.100 0.3 . 1 . . . . . 143 THR N . 27286 1 552 . 1 1 152 152 GLY H H 1 7.614 0.020 . 1 . . . . . 151 GLY H . 27286 1 553 . 1 1 152 152 GLY C C 13 176.486 0.3 . 1 . . . . . 151 GLY C . 27286 1 554 . 1 1 152 152 GLY CA C 13 46.303 0.3 . 1 . . . . . 151 GLY CA . 27286 1 555 . 1 1 152 152 GLY N N 15 108.440 0.3 . 1 . . . . . 151 GLY N . 27286 1 556 . 1 1 153 153 GLU H H 1 8.045 0.020 . 1 . . . . . 152 GLU H . 27286 1 557 . 1 1 153 153 GLU CA C 13 57.574 0.3 . 1 . . . . . 152 GLU CA . 27286 1 558 . 1 1 153 153 GLU N N 15 120.832 0.3 . 1 . . . . . 152 GLU N . 27286 1 559 . 1 1 162 162 GLU H H 1 8.295 0.020 . 1 . . . . . 161 GLU H . 27286 1 560 . 1 1 162 162 GLU C C 13 177.069 0.3 . 1 . . . . . 161 GLU C . 27286 1 561 . 1 1 162 162 GLU CA C 13 56.748 0.3 . 1 . . . . . 161 GLU CA . 27286 1 562 . 1 1 162 162 GLU CB C 13 30.198 0.3 . 1 . . . . . 161 GLU CB . 27286 1 563 . 1 1 162 162 GLU N N 15 110.042 0.3 . 1 . . . . . 161 GLU N . 27286 1 564 . 1 1 163 163 GLY H H 1 7.229 0.020 . 1 . . . . . 162 GLY H . 27286 1 565 . 1 1 163 163 GLY C C 13 172.365 0.3 . 1 . . . . . 162 GLY C . 27286 1 566 . 1 1 163 163 GLY CA C 13 45.450 0.3 . 1 . . . . . 162 GLY CA . 27286 1 567 . 1 1 163 163 GLY N N 15 108.471 0.3 . 1 . . . . . 162 GLY N . 27286 1 568 . 1 1 164 164 THR H H 1 7.810 0.020 . 1 . . . . . 163 THR H . 27286 1 569 . 1 1 164 164 THR CA C 13 66.447 0.3 . 1 . . . . . 163 THR CA . 27286 1 570 . 1 1 164 164 THR CB C 13 69.381 0.3 . 1 . . . . . 163 THR CB . 27286 1 571 . 1 1 164 164 THR N N 15 124.574 0.3 . 1 . . . . . 163 THR N . 27286 1 572 . 1 1 167 167 GLU H H 1 8.194 0.020 . 1 . . . . . 166 GLU H . 27286 1 573 . 1 1 167 167 GLU C C 13 180.003 0.3 . 1 . . . . . 166 GLU C . 27286 1 574 . 1 1 167 167 GLU CA C 13 58.613 0.3 . 1 . . . . . 166 GLU CA . 27286 1 575 . 1 1 167 167 GLU CB C 13 28.688 0.3 . 1 . . . . . 166 GLU CB . 27286 1 576 . 1 1 167 167 GLU N N 15 120.094 0.3 . 1 . . . . . 166 GLU N . 27286 1 577 . 1 1 168 168 TRP H H 1 8.614 0.020 . 1 . . . . . 167 TRP H . 27286 1 578 . 1 1 168 168 TRP C C 13 176.041 0.3 . 1 . . . . . 167 TRP C . 27286 1 579 . 1 1 168 168 TRP CA C 13 61.198 0.3 . 1 . . . . . 167 TRP CA . 27286 1 580 . 1 1 168 168 TRP CB C 13 25.481 0.3 . 1 . . . . . 167 TRP CB . 27286 1 581 . 1 1 168 168 TRP N N 15 119.876 0.3 . 1 . . . . . 167 TRP N . 27286 1 582 . 1 1 169 169 LEU H H 1 8.177 0.020 . 1 . . . . . 168 LEU H . 27286 1 583 . 1 1 169 169 LEU C C 13 177.834 0.3 . 1 . . . . . 168 LEU C . 27286 1 584 . 1 1 169 169 LEU CA C 13 58.720 0.3 . 1 . . . . . 168 LEU CA . 27286 1 585 . 1 1 169 169 LEU CB C 13 39.255 0.3 . 1 . . . . . 168 LEU CB . 27286 1 586 . 1 1 169 169 LEU N N 15 121.993 0.3 . 1 . . . . . 168 LEU N . 27286 1 587 . 1 1 170 170 ARG H H 1 7.468 0.020 . 1 . . . . . 169 ARG H . 27286 1 588 . 1 1 170 170 ARG C C 13 178.998 0.3 . 1 . . . . . 169 ARG C . 27286 1 589 . 1 1 170 170 ARG CA C 13 59.706 0.3 . 1 . . . . . 169 ARG CA . 27286 1 590 . 1 1 170 170 ARG CB C 13 28.814 0.3 . 1 . . . . . 169 ARG CB . 27286 1 591 . 1 1 170 170 ARG N N 15 116.036 0.3 . 1 . . . . . 169 ARG N . 27286 1 592 . 1 1 171 171 ARG H H 1 6.873 0.020 . 1 . . . . . 170 ARG H . 27286 1 593 . 1 1 171 171 ARG C C 13 178.165 0.3 . 1 . . . . . 170 ARG C . 27286 1 594 . 1 1 171 171 ARG CA C 13 58.640 0.3 . 1 . . . . . 170 ARG CA . 27286 1 595 . 1 1 171 171 ARG CB C 13 28.562 0.3 . 1 . . . . . 170 ARG CB . 27286 1 596 . 1 1 171 171 ARG N N 15 121.365 0.3 . 1 . . . . . 170 ARG N . 27286 1 597 . 1 1 172 172 TYR H H 1 8.696 0.020 . 1 . . . . . 171 TYR H . 27286 1 598 . 1 1 172 172 TYR C C 13 179.283 0.3 . 1 . . . . . 171 TYR C . 27286 1 599 . 1 1 172 172 TYR CA C 13 58.000 0.3 . 1 . . . . . 171 TYR CA . 27286 1 600 . 1 1 172 172 TYR CB C 13 36.550 0.3 . 1 . . . . . 171 TYR CB . 27286 1 601 . 1 1 172 172 TYR N N 15 120.953 0.3 . 1 . . . . . 171 TYR N . 27286 1 602 . 1 1 173 173 LEU H H 1 8.340 0.020 . 1 . . . . . 172 LEU H . 27286 1 603 . 1 1 173 173 LEU C C 13 179.500 0.3 . 1 . . . . . 172 LEU C . 27286 1 604 . 1 1 173 173 LEU CA C 13 56.775 0.3 . 1 . . . . . 172 LEU CA . 27286 1 605 . 1 1 173 173 LEU CB C 13 40.324 0.3 . 1 . . . . . 172 LEU CB . 27286 1 606 . 1 1 173 173 LEU N N 15 119.547 0.3 . 1 . . . . . 172 LEU N . 27286 1 607 . 1 1 174 174 LYS H H 1 7.310 0.020 . 1 . . . . . 173 LYS H . 27286 1 608 . 1 1 174 174 LYS C C 13 179.569 0.3 . 1 . . . . . 173 LYS C . 27286 1 609 . 1 1 174 174 LYS CA C 13 58.667 0.3 . 1 . . . . . 173 LYS CA . 27286 1 610 . 1 1 174 174 LYS CB C 13 30.701 0.3 . 1 . . . . . 173 LYS CB . 27286 1 611 . 1 1 174 174 LYS N N 15 120.672 0.3 . 1 . . . . . 173 LYS N . 27286 1 612 . 1 1 175 175 ASN H H 1 8.181 0.020 . 1 . . . . . 174 ASN H . 27286 1 613 . 1 1 175 175 ASN C C 13 177.491 0.3 . 1 . . . . . 174 ASN C . 27286 1 614 . 1 1 175 175 ASN CA C 13 54.696 0.3 . 1 . . . . . 174 ASN CA . 27286 1 615 . 1 1 175 175 ASN CB C 13 37.053 0.3 . 1 . . . . . 174 ASN CB . 27286 1 616 . 1 1 175 175 ASN N N 15 120.110 0.3 . 1 . . . . . 174 ASN N . 27286 1 617 . 1 1 176 176 GLY H H 1 7.583 0.020 . 1 . . . . . 175 GLY H . 27286 1 618 . 1 1 176 176 GLY C C 13 174.386 0.3 . 1 . . . . . 175 GLY C . 27286 1 619 . 1 1 176 176 GLY CA C 13 44.358 0.3 . 1 . . . . . 175 GLY CA . 27286 1 620 . 1 1 176 176 GLY N N 15 107.733 0.3 . 1 . . . . . 175 GLY N . 27286 1 621 . 1 1 177 177 ASN H H 1 7.327 0.020 . 1 . . . . . 176 ASN H . 27286 1 622 . 1 1 177 177 ASN C C 13 175.402 0.3 . 1 . . . . . 176 ASN C . 27286 1 623 . 1 1 177 177 ASN CA C 13 54.030 0.3 . 1 . . . . . 176 ASN CA . 27286 1 624 . 1 1 177 177 ASN CB C 13 38.437 0.3 . 1 . . . . . 176 ASN CB . 27286 1 625 . 1 1 177 177 ASN N N 15 119.547 0.3 . 1 . . . . . 176 ASN N . 27286 1 626 . 1 1 178 178 ALA H H 1 7.907 0.020 . 1 . . . . . 177 ALA H . 27286 1 627 . 1 1 178 178 ALA C C 13 178.359 0.3 . 1 . . . . . 177 ALA C . 27286 1 628 . 1 1 178 178 ALA CA C 13 53.151 0.3 . 1 . . . . . 177 ALA CA . 27286 1 629 . 1 1 178 178 ALA CB C 13 18.311 0.3 . 1 . . . . . 177 ALA CB . 27286 1 630 . 1 1 178 178 ALA N N 15 123.284 0.3 . 1 . . . . . 177 ALA N . 27286 1 631 . 1 1 179 179 THR H H 1 7.811 0.020 . 1 . . . . . 178 THR H . 27286 1 632 . 1 1 179 179 THR C C 13 174.774 0.3 . 1 . . . . . 178 THR C . 27286 1 633 . 1 1 179 179 THR CA C 13 62.424 0.3 . 1 . . . . . 178 THR CA . 27286 1 634 . 1 1 179 179 THR CB C 13 69.192 0.3 . 1 . . . . . 178 THR CB . 27286 1 635 . 1 1 179 179 THR N N 15 112.796 0.3 . 1 . . . . . 178 THR N . 27286 1 636 . 1 1 180 180 LEU H H 1 7.873 0.020 . 1 . . . . . 179 LEU H . 27286 1 637 . 1 1 180 180 LEU C C 13 177.183 0.3 . 1 . . . . . 179 LEU C . 27286 1 638 . 1 1 180 180 LEU CA C 13 55.069 0.3 . 1 . . . . . 179 LEU CA . 27286 1 639 . 1 1 180 180 LEU CB C 13 41.330 0.3 . 1 . . . . . 179 LEU CB . 27286 1 640 . 1 1 180 180 LEU N N 15 124.610 0.3 . 1 . . . . . 179 LEU N . 27286 1 641 . 1 1 181 181 LEU H H 1 7.897 0.020 . 1 . . . . . 180 LEU H . 27286 1 642 . 1 1 181 181 LEU C C 13 177.080 0.3 . 1 . . . . . 180 LEU C . 27286 1 643 . 1 1 181 181 LEU CA C 13 54.590 0.3 . 1 . . . . . 180 LEU CA . 27286 1 644 . 1 1 181 181 LEU CB C 13 41.141 0.3 . 1 . . . . . 180 LEU CB . 27286 1 645 . 1 1 181 181 LEU N N 15 122.540 0.3 . 1 . . . . . 180 LEU N . 27286 1 646 . 1 1 182 182 ARG H H 1 8.067 0.020 . 1 . . . . . 181 ARG H . 27286 1 647 . 1 1 182 182 ARG C C 13 176.498 0.3 . 1 . . . . . 181 ARG C . 27286 1 648 . 1 1 182 182 ARG CA C 13 55.549 0.3 . 1 . . . . . 181 ARG CA . 27286 1 649 . 1 1 182 182 ARG CB C 13 29.946 0.3 . 1 . . . . . 181 ARG CB . 27286 1 650 . 1 1 182 182 ARG N N 15 122.641 0.3 . 1 . . . . . 181 ARG N . 27286 1 651 . 1 1 183 183 THR H H 1 8.148 0.020 . 1 . . . . . 182 THR H . 27286 1 652 . 1 1 183 183 THR C C 13 174.237 0.3 . 1 . . . . . 182 THR C . 27286 1 653 . 1 1 183 183 THR CA C 13 61.305 0.3 . 1 . . . . . 182 THR CA . 27286 1 654 . 1 1 183 183 THR CB C 13 69.318 0.3 . 1 . . . . . 182 THR CB . 27286 1 655 . 1 1 183 183 THR N N 15 115.795 0.3 . 1 . . . . . 182 THR N . 27286 1 656 . 1 1 184 184 ASP H H 1 8.269 0.020 . 1 . . . . . 183 ASP H . 27286 1 657 . 1 1 184 184 ASP C C 13 175.699 0.3 . 1 . . . . . 183 ASP C . 27286 1 658 . 1 1 184 184 ASP CA C 13 53.817 0.3 . 1 . . . . . 183 ASP CA . 27286 1 659 . 1 1 184 184 ASP CB C 13 40.638 0.3 . 1 . . . . . 183 ASP CB . 27286 1 660 . 1 1 184 184 ASP N N 15 123.204 0.3 . 1 . . . . . 183 ASP N . 27286 1 661 . 1 1 185 185 SER H H 1 8.027 0.020 . 1 . . . . . 184 SER H . 27286 1 662 . 1 1 185 185 SER C C 13 171.760 0.3 . 1 . . . . . 184 SER C . 27286 1 663 . 1 1 185 185 SER CA C 13 55.869 0.3 . 1 . . . . . 184 SER CA . 27286 1 664 . 1 1 185 185 SER CB C 13 62.966 0.3 . 1 . . . . . 184 SER CB . 27286 1 665 . 1 1 185 185 SER N N 15 117.972 0.3 . 1 . . . . . 184 SER N . 27286 1 stop_ save_