data_34958 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34958 _Entry.Title ; Cdc42 in complex with inhibitory peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-09-11 _Entry.Accession_date 2024-09-11 _Entry.Last_release_date 2024-11-05 _Entry.Original_release_date 2024-11-05 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 . _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 H. Mott H. R. . . 34958 2 D. Owen D. . . . 34958 3 N. Murphy N. P. . . 34958 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'CELL CYCLE' . 34958 GTPase . 34958 Inhibitor . 34958 'cytoskeletal regulator' . 34958 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34958 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 595 34958 '15N chemical shifts' 176 34958 '1H chemical shifts' 1279 34958 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 1 . . 2026-01-18 . original BMRB . 34958 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9GRM 'BMRB Entry Tracking System' 34958 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34958 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Cyclized peptide inhibitors of the small G protein Cdc42 mimic binding of effector proteins ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 . _Citation.Page_last . _Citation.Year . _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 N. Murphy N. P. . . 34958 1 2 G. Tetley G. J.N. . . 34958 1 3 J. Revell J. . . . 34958 1 4 H. Mott H. R. . . 34958 1 5 D. Owen D. . . . 34958 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34958 _Assembly.ID 1 _Assembly.Name 'Cell division control protein 42 homolog (E.C.3.6.5.2), PRO-SER-ILE-CYS-HIS-VAL-HIS-ARG-PRO-ASP-TRP-PRO-CYS-ALA-TYR-ARG' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _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 unit_1 1 $entity_1 A A yes . . . . . . 34958 1 2 unit_2 2 $entity_2 B B yes . . . . . . 34958 1 3 unit_3 3 $entity_GNP C A no . . . . . . 34958 1 4 unit_4 4 $entity_MG D A no . . . . . . 34958 1 5 unit_5 5 $entity_HOH E A no . . . . . . 34958 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 . 2 . 2 CYS 4 4 SG . 2 . 2 CYS 13 13 SG . . . . . . . . . . . . 34958 1 2 coordination single . 1 . 1 THR 17 17 OG1 . 4 . 4 MG 1 1 MG . . . . . . . . . . . . 34958 1 3 coordination single . 1 . 1 THR 35 35 OG1 . 4 . 4 MG 1 1 MG . . . . . . . . . . . . 34958 1 4 coordination single . 3 . 3 GNP 1 1 O2G . 4 . 4 MG 1 1 MG . . . . . . . . . . . . 34958 1 5 coordination single . 3 . 3 GNP 1 1 O2B . 4 . 4 MG 1 1 MG . . . . . . . . . . . . 34958 1 6 coordination single . 5 . 5 HOH 1 1 O . 4 . 4 MG 1 1 MG . . . . . . . . . . . . 34958 1 7 coordination single . 5 . 5 HOH 1 1 O . 4 . 4 MG 1 1 MG . . . . . . . . . . . . 34958 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34958 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQTIKCVVVGDGAVGKTCLL ISYTTNKFPSEYVPTVFDNY AVTVMIGGEPYTLGLFDTAG LEDYDRLRPLSYPQTDVFLV CFSVVSPSSFENVKEKWVPE ITHHCPKTPFLLVGTQIDLR DDPSTIEKLAKNKQKPITPE TAEKLARDLKAVKYVECSAL TQKGLKNVFDEAILAALEPP EPKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 184 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 1-184 _Entity.Mutation Q61L _Entity.EC_number 3.6.5.2 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20438.555 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'G25K GTP-binding protein' common 34958 1 stop_ 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 . MET . 34958 1 2 . GLN . 34958 1 3 . THR . 34958 1 4 . ILE . 34958 1 5 . LYS . 34958 1 6 . CYS . 34958 1 7 . VAL . 34958 1 8 . VAL . 34958 1 9 . VAL . 34958 1 10 . GLY . 34958 1 11 . ASP . 34958 1 12 . GLY . 34958 1 13 . ALA . 34958 1 14 . VAL . 34958 1 15 . GLY . 34958 1 16 . LYS . 34958 1 17 . THR . 34958 1 18 . CYS . 34958 1 19 . LEU . 34958 1 20 . LEU . 34958 1 21 . ILE . 34958 1 22 . SER . 34958 1 23 . TYR . 34958 1 24 . THR . 34958 1 25 . THR . 34958 1 26 . ASN . 34958 1 27 . LYS . 34958 1 28 . PHE . 34958 1 29 . PRO . 34958 1 30 . SER . 34958 1 31 . GLU . 34958 1 32 . TYR . 34958 1 33 . VAL . 34958 1 34 . PRO . 34958 1 35 . THR . 34958 1 36 . VAL . 34958 1 37 . PHE . 34958 1 38 . ASP . 34958 1 39 . ASN . 34958 1 40 . TYR . 34958 1 41 . ALA . 34958 1 42 . VAL . 34958 1 43 . THR . 34958 1 44 . VAL . 34958 1 45 . MET . 34958 1 46 . ILE . 34958 1 47 . GLY . 34958 1 48 . GLY . 34958 1 49 . GLU . 34958 1 50 . PRO . 34958 1 51 . TYR . 34958 1 52 . THR . 34958 1 53 . LEU . 34958 1 54 . GLY . 34958 1 55 . LEU . 34958 1 56 . PHE . 34958 1 57 . ASP . 34958 1 58 . THR . 34958 1 59 . ALA . 34958 1 60 . GLY . 34958 1 61 . LEU . 34958 1 62 . GLU . 34958 1 63 . ASP . 34958 1 64 . TYR . 34958 1 65 . ASP . 34958 1 66 . ARG . 34958 1 67 . LEU . 34958 1 68 . ARG . 34958 1 69 . PRO . 34958 1 70 . LEU . 34958 1 71 . SER . 34958 1 72 . TYR . 34958 1 73 . PRO . 34958 1 74 . GLN . 34958 1 75 . THR . 34958 1 76 . ASP . 34958 1 77 . VAL . 34958 1 78 . PHE . 34958 1 79 . LEU . 34958 1 80 . VAL . 34958 1 81 . CYS . 34958 1 82 . PHE . 34958 1 83 . SER . 34958 1 84 . VAL . 34958 1 85 . VAL . 34958 1 86 . SER . 34958 1 87 . PRO . 34958 1 88 . SER . 34958 1 89 . SER . 34958 1 90 . PHE . 34958 1 91 . GLU . 34958 1 92 . ASN . 34958 1 93 . VAL . 34958 1 94 . LYS . 34958 1 95 . GLU . 34958 1 96 . LYS . 34958 1 97 . TRP . 34958 1 98 . VAL . 34958 1 99 . PRO . 34958 1 100 . GLU . 34958 1 101 . ILE . 34958 1 102 . THR . 34958 1 103 . HIS . 34958 1 104 . HIS . 34958 1 105 . CYS . 34958 1 106 . PRO . 34958 1 107 . LYS . 34958 1 108 . THR . 34958 1 109 . PRO . 34958 1 110 . PHE . 34958 1 111 . LEU . 34958 1 112 . LEU . 34958 1 113 . VAL . 34958 1 114 . GLY . 34958 1 115 . THR . 34958 1 116 . GLN . 34958 1 117 . ILE . 34958 1 118 . ASP . 34958 1 119 . LEU . 34958 1 120 . ARG . 34958 1 121 . ASP . 34958 1 122 . ASP . 34958 1 123 . PRO . 34958 1 124 . SER . 34958 1 125 . THR . 34958 1 126 . ILE . 34958 1 127 . GLU . 34958 1 128 . LYS . 34958 1 129 . LEU . 34958 1 130 . ALA . 34958 1 131 . LYS . 34958 1 132 . ASN . 34958 1 133 . LYS . 34958 1 134 . GLN . 34958 1 135 . LYS . 34958 1 136 . PRO . 34958 1 137 . ILE . 34958 1 138 . THR . 34958 1 139 . PRO . 34958 1 140 . GLU . 34958 1 141 . THR . 34958 1 142 . ALA . 34958 1 143 . GLU . 34958 1 144 . LYS . 34958 1 145 . LEU . 34958 1 146 . ALA . 34958 1 147 . ARG . 34958 1 148 . ASP . 34958 1 149 . LEU . 34958 1 150 . LYS . 34958 1 151 . ALA . 34958 1 152 . VAL . 34958 1 153 . LYS . 34958 1 154 . TYR . 34958 1 155 . VAL . 34958 1 156 . GLU . 34958 1 157 . CYS . 34958 1 158 . SER . 34958 1 159 . ALA . 34958 1 160 . LEU . 34958 1 161 . THR . 34958 1 162 . GLN . 34958 1 163 . LYS . 34958 1 164 . GLY . 34958 1 165 . LEU . 34958 1 166 . LYS . 34958 1 167 . ASN . 34958 1 168 . VAL . 34958 1 169 . PHE . 34958 1 170 . ASP . 34958 1 171 . GLU . 34958 1 172 . ALA . 34958 1 173 . ILE . 34958 1 174 . LEU . 34958 1 175 . ALA . 34958 1 176 . ALA . 34958 1 177 . LEU . 34958 1 178 . GLU . 34958 1 179 . PRO . 34958 1 180 . PRO . 34958 1 181 . GLU . 34958 1 182 . PRO . 34958 1 183 . LYS . 34958 1 184 . LYS . 34958 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 34958 1 . GLN 2 2 34958 1 . THR 3 3 34958 1 . ILE 4 4 34958 1 . LYS 5 5 34958 1 . CYS 6 6 34958 1 . VAL 7 7 34958 1 . VAL 8 8 34958 1 . VAL 9 9 34958 1 . GLY 10 10 34958 1 . ASP 11 11 34958 1 . GLY 12 12 34958 1 . ALA 13 13 34958 1 . VAL 14 14 34958 1 . GLY 15 15 34958 1 . LYS 16 16 34958 1 . THR 17 17 34958 1 . CYS 18 18 34958 1 . LEU 19 19 34958 1 . LEU 20 20 34958 1 . ILE 21 21 34958 1 . SER 22 22 34958 1 . TYR 23 23 34958 1 . THR 24 24 34958 1 . THR 25 25 34958 1 . ASN 26 26 34958 1 . LYS 27 27 34958 1 . PHE 28 28 34958 1 . PRO 29 29 34958 1 . SER 30 30 34958 1 . GLU 31 31 34958 1 . TYR 32 32 34958 1 . VAL 33 33 34958 1 . PRO 34 34 34958 1 . THR 35 35 34958 1 . VAL 36 36 34958 1 . PHE 37 37 34958 1 . ASP 38 38 34958 1 . ASN 39 39 34958 1 . TYR 40 40 34958 1 . ALA 41 41 34958 1 . VAL 42 42 34958 1 . THR 43 43 34958 1 . VAL 44 44 34958 1 . MET 45 45 34958 1 . ILE 46 46 34958 1 . GLY 47 47 34958 1 . GLY 48 48 34958 1 . GLU 49 49 34958 1 . PRO 50 50 34958 1 . TYR 51 51 34958 1 . THR 52 52 34958 1 . LEU 53 53 34958 1 . GLY 54 54 34958 1 . LEU 55 55 34958 1 . PHE 56 56 34958 1 . ASP 57 57 34958 1 . THR 58 58 34958 1 . ALA 59 59 34958 1 . GLY 60 60 34958 1 . LEU 61 61 34958 1 . GLU 62 62 34958 1 . ASP 63 63 34958 1 . TYR 64 64 34958 1 . ASP 65 65 34958 1 . ARG 66 66 34958 1 . LEU 67 67 34958 1 . ARG 68 68 34958 1 . PRO 69 69 34958 1 . LEU 70 70 34958 1 . SER 71 71 34958 1 . TYR 72 72 34958 1 . PRO 73 73 34958 1 . GLN 74 74 34958 1 . THR 75 75 34958 1 . ASP 76 76 34958 1 . VAL 77 77 34958 1 . PHE 78 78 34958 1 . LEU 79 79 34958 1 . VAL 80 80 34958 1 . CYS 81 81 34958 1 . PHE 82 82 34958 1 . SER 83 83 34958 1 . VAL 84 84 34958 1 . VAL 85 85 34958 1 . SER 86 86 34958 1 . PRO 87 87 34958 1 . SER 88 88 34958 1 . SER 89 89 34958 1 . PHE 90 90 34958 1 . GLU 91 91 34958 1 . ASN 92 92 34958 1 . VAL 93 93 34958 1 . LYS 94 94 34958 1 . GLU 95 95 34958 1 . LYS 96 96 34958 1 . TRP 97 97 34958 1 . VAL 98 98 34958 1 . PRO 99 99 34958 1 . GLU 100 100 34958 1 . ILE 101 101 34958 1 . THR 102 102 34958 1 . HIS 103 103 34958 1 . HIS 104 104 34958 1 . CYS 105 105 34958 1 . PRO 106 106 34958 1 . LYS 107 107 34958 1 . THR 108 108 34958 1 . PRO 109 109 34958 1 . PHE 110 110 34958 1 . LEU 111 111 34958 1 . LEU 112 112 34958 1 . VAL 113 113 34958 1 . GLY 114 114 34958 1 . THR 115 115 34958 1 . GLN 116 116 34958 1 . ILE 117 117 34958 1 . ASP 118 118 34958 1 . LEU 119 119 34958 1 . ARG 120 120 34958 1 . ASP 121 121 34958 1 . ASP 122 122 34958 1 . PRO 123 123 34958 1 . SER 124 124 34958 1 . THR 125 125 34958 1 . ILE 126 126 34958 1 . GLU 127 127 34958 1 . LYS 128 128 34958 1 . LEU 129 129 34958 1 . ALA 130 130 34958 1 . LYS 131 131 34958 1 . ASN 132 132 34958 1 . LYS 133 133 34958 1 . GLN 134 134 34958 1 . LYS 135 135 34958 1 . PRO 136 136 34958 1 . ILE 137 137 34958 1 . THR 138 138 34958 1 . PRO 139 139 34958 1 . GLU 140 140 34958 1 . THR 141 141 34958 1 . ALA 142 142 34958 1 . GLU 143 143 34958 1 . LYS 144 144 34958 1 . LEU 145 145 34958 1 . ALA 146 146 34958 1 . ARG 147 147 34958 1 . ASP 148 148 34958 1 . LEU 149 149 34958 1 . LYS 150 150 34958 1 . ALA 151 151 34958 1 . VAL 152 152 34958 1 . LYS 153 153 34958 1 . TYR 154 154 34958 1 . VAL 155 155 34958 1 . GLU 156 156 34958 1 . CYS 157 157 34958 1 . SER 158 158 34958 1 . ALA 159 159 34958 1 . LEU 160 160 34958 1 . THR 161 161 34958 1 . GLN 162 162 34958 1 . LYS 163 163 34958 1 . GLY 164 164 34958 1 . LEU 165 165 34958 1 . LYS 166 166 34958 1 . ASN 167 167 34958 1 . VAL 168 168 34958 1 . PHE 169 169 34958 1 . ASP 170 170 34958 1 . GLU 171 171 34958 1 . ALA 172 172 34958 1 . ILE 173 173 34958 1 . LEU 174 174 34958 1 . ALA 175 175 34958 1 . ALA 176 176 34958 1 . LEU 177 177 34958 1 . GLU 178 178 34958 1 . PRO 179 179 34958 1 . PRO 180 180 34958 1 . GLU 181 181 34958 1 . PRO 182 182 34958 1 . LYS 183 183 34958 1 . LYS 184 184 34958 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 34958 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PSICHVHRPDWPCAYR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 16 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method syn _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1941.242 _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 . PRO . 34958 2 2 . SER . 34958 2 3 . ILE . 34958 2 4 . CYS . 34958 2 5 . HIS . 34958 2 6 . VAL . 34958 2 7 . HIS . 34958 2 8 . ARG . 34958 2 9 . PRO . 34958 2 10 . ASP . 34958 2 11 . TRP . 34958 2 12 . PRO . 34958 2 13 . CYS . 34958 2 14 . ALA . 34958 2 15 . TYR . 34958 2 16 . ARG . 34958 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 . PRO 1 1 34958 2 . SER 2 2 34958 2 . ILE 3 3 34958 2 . CYS 4 4 34958 2 . HIS 5 5 34958 2 . VAL 6 6 34958 2 . HIS 7 7 34958 2 . ARG 8 8 34958 2 . PRO 9 9 34958 2 . ASP 10 10 34958 2 . TRP 11 11 34958 2 . PRO 12 12 34958 2 . CYS 13 13 34958 2 . ALA 14 14 34958 2 . TYR 15 15 34958 2 . ARG 16 16 34958 2 stop_ save_ save_entity_GNP _Entity.Sf_category entity _Entity.Sf_framecode entity_GNP _Entity.Entry_ID 34958 _Entity.ID 3 _Entity.BMRB_code GNP _Entity.Name entity_GNP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID GNP _Entity.Nonpolymer_comp_label $chem_comp_GNP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 522.196 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' BMRB 34958 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' BMRB 34958 3 GNP 'Three letter code' 34958 3 stop_ 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 1 GNP $chem_comp_GNP 34958 3 stop_ save_ save_entity_MG _Entity.Sf_category entity _Entity.Sf_framecode entity_MG _Entity.Entry_ID 34958 _Entity.ID 4 _Entity.BMRB_code MG _Entity.Name entity_MG _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 4 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24.305 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'MAGNESIUM ION' BMRB 34958 4 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'MAGNESIUM ION' BMRB 34958 4 MG 'Three letter code' 34958 4 stop_ 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 1 MG $chem_comp_MG 34958 4 stop_ save_ save_entity_HOH _Entity.Sf_category entity _Entity.Sf_framecode entity_HOH _Entity.Entry_ID 34958 _Entity.ID 5 _Entity.BMRB_code HOH _Entity.Name entity_HOH _Entity.Type water _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID HOH _Entity.Nonpolymer_comp_label $chem_comp_HOH _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 5 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18.015 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID WATER BMRB 34958 5 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID WATER BMRB 34958 5 HOH 'Three letter code' 34958 5 stop_ 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 1 HOH $chem_comp_HOH 34958 5 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 34958 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . CDC42 . 34958 1 2 2 $entity_2 . 32630 'no natural source' . 'synthetic construct' . . . . . synthetic construct . . . . . . . . . . . . . 34958 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 34958 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34958 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . 34958 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GNP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GNP _Chem_comp.Entry_ID 34958 _Chem_comp.ID GNP _Chem_comp.Provenance PDB _Chem_comp.Name 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code GNP _Chem_comp.PDB_code GNP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces GTN _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code GNP _Chem_comp.Number_atoms_all 49 _Chem_comp.Number_atoms_nh 32 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1 ; _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C10 H17 N6 O13 P3' _Chem_comp.Formula_weight 522.196 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1CTQ _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID ; InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1 ; InChI InChI 1.03 34958 GNP NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 34958 GNP NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 34958 GNP O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O SMILES ACDLabs 10.04 34958 GNP UQABYHGXWYXDTK-UUOKFMHZSA-N InChIKey InChI 1.03 34958 GNP c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.5.0 34958 GNP c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34958 GNP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine 'SYSTEMATIC NAME' ACDLabs 10.04 34958 GNP ; [[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid ; 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34958 GNP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PG PG PG PG . P . . N 0 . . . 1 N N . . . . 4.935 . 31.507 . 21.691 . -1.231 -0.295 7.212 1 . 34958 GNP O1G O1G O1G O1G . O . . N 0 . . . 1 N N . . . . 4.899 . 32.144 . 23.047 . -1.759 1.078 7.063 2 . 34958 GNP O2G O2G O2G O2G . O . . N 0 . . . 1 N N . . . . 4.129 . 32.343 . 20.710 . -2.158 -1.118 8.240 3 . 34958 GNP O3G O3G O3G O3G . O . . N 0 . . . 1 N N . . . . 4.556 . 30.076 . 21.650 . 0.274 -0.234 7.778 4 . 34958 GNP N3B N3B N3B N3B . N . . N 0 . . . 1 N N . . . . 6.611 . 31.682 . 21.302 . -1.236 -1.064 5.714 5 . 34958 GNP PB PB PB PB . P . . R 0 . . . 1 N N . . . . 7.202 . 31.350 . 19.762 . -0.252 -0.151 4.699 6 . 34958 GNP O1B O1B O1B O1B . O . . N 0 . . . 1 N N . . . . 7.408 . 29.908 . 19.616 . -0.795 1.221 4.589 7 . 34958 GNP O2B O2B O2B O2B . O . . N 0 . . . 1 N N . . . . 6.425 . 32.127 . 18.752 . 1.237 -0.091 5.307 8 . 34958 GNP O3A O3A O3A O3A . O . . N 0 . . . 1 N N . . . . 8.690 . 32.006 . 19.856 . -0.209 -0.830 3.240 9 . 34958 GNP PA PA PA PA . P . . S 0 . . . 1 N N . . . . 9.197 . 33.390 . 19.367 . 0.744 0.089 2.326 10 . 34958 GNP O1A O1A O1A O1A . O . . N 0 . . . 1 N N . . . . 9.236 . 33.433 . 17.890 . 0.185 1.458 2.252 11 . 34958 GNP O2A O2A O2A O2A . O . . N 0 . . . 1 N N . . . . 8.532 . 34.468 . 20.185 . 2.216 0.145 2.974 12 . 34958 GNP O5' O5' O5' O5* . O . . N 0 . . . 1 N N . . . . 10.648 . 33.354 . 19.815 . 0.832 -0.534 0.845 13 . 34958 GNP C5' C5' C5' C5* . C . . N 0 . . . 1 N N . . . . 11.013 . 33.228 . 21.198 . 1.688 0.322 0.086 14 . 34958 GNP C4' C4' C4' C4* . C . . R 0 . . . 1 N N . . . . 12.433 . 33.663 . 21.389 . 1.815 -0.217 -1.339 15 . 34958 GNP O4' O4' O4' O4* . O . . N 0 . . . 1 N N . . . . 13.401 . 32.943 . 20.714 . 0.524 -0.237 -1.986 16 . 34958 GNP C3' C3' C3' C3* . C . . S 0 . . . 1 N N . . . . 12.657 . 35.142 . 20.956 . 2.674 0.734 -2.202 17 . 34958 GNP O3' O3' O3' O3* . O . . N 0 . . . 1 N N . . . . 13.626 . 35.786 . 21.804 . 4.018 0.258 -2.285 18 . 34958 GNP C2' C2' C2' C2* . C . . R 0 . . . 1 N N . . . . 13.257 . 34.966 . 19.546 . 1.997 0.695 -3.592 19 . 34958 GNP O2' O2' O2' O2* . O . . N 0 . . . 1 N N . . . . 14.067 . 36.035 . 19.166 . 2.904 0.196 -4.577 20 . 34958 GNP C1' C1' C1' C1* . C . . R 0 . . . 1 N N . . . . 14.116 . 33.758 . 19.817 . 0.808 -0.272 -3.402 21 . 34958 GNP N9 N9 N9 N9 . N . . N 0 . . . 1 Y N . . . . 14.351 . 32.999 . 18.572 . -0.352 0.188 -4.166 22 . 34958 GNP C8 C8 C8 C8 . C . . N 0 . . . 1 Y N . . . . 13.285 . 32.569 . 17.679 . -1.315 1.051 -3.730 23 . 34958 GNP N7 N7 N7 N7 . N . . N 0 . . . 1 Y N . . . . 13.785 . 31.834 . 16.715 . -2.196 1.240 -4.668 24 . 34958 GNP C5 C5 C5 C5 . C . . N 0 . . . 1 Y N . . . . 15.262 . 31.974 . 16.869 . -1.853 0.512 -5.759 25 . 34958 GNP C6 C6 C6 C6 . C . . N 0 . . . 1 Y N . . . . 16.309 . 31.355 . 16.084 . -2.423 0.330 -7.041 26 . 34958 GNP O6 O6 O6 O6 . O . . N 0 . . . 1 N N . . . . 16.242 . 30.767 . 15.067 . -3.453 0.902 -7.354 27 . 34958 GNP N1 N1 N1 N1 . N . . N 0 . . . 1 Y N . . . . 17.523 . 31.709 . 16.581 . -1.794 -0.489 -7.912 28 . 34958 GNP C2 C2 C2 C2 . C . . N 0 . . . 1 Y N . . . . 17.576 . 32.330 . 17.793 . -0.646 -1.129 -7.549 29 . 34958 GNP N2 N2 N2 N2 . N . . N 0 . . . 1 N N . . . . 18.953 . 32.527 . 18.141 . -0.033 -1.960 -8.453 30 . 34958 GNP N3 N3 N3 N3 . N . . N 0 . . . 1 Y N . . . . 16.717 . 32.788 . 18.612 . -0.107 -0.968 -6.361 31 . 34958 GNP C4 C4 C4 C4 . C . . N 0 . . . 1 Y N . . . . 15.526 . 32.598 . 18.035 . -0.670 -0.168 -5.449 32 . 34958 GNP HOG2 HOG2 HOG2 2HOG . H . . N 0 . . . 0 N N . . . . 4.151 . 31.939 . 19.850 . -2.127 -0.645 9.083 33 . 34958 GNP HOG3 HOG3 HOG3 3HOG . H . . N 0 . . . 0 N N . . . . 4.578 . 29.672 . 20.790 . 0.579 -1.147 7.860 34 . 34958 GNP HNB3 HNB3 HNB3 3HNB . H . . N 0 . . . 0 N N . . . . 7.146 . 31.125 . 21.968 . -2.175 -0.988 5.353 35 . 34958 GNP HOB2 HOB2 HOB2 2HOB . H . . N 0 . . . 0 N N . . . . 6.758 . 31.939 . 17.882 . 1.553 -1.004 5.362 36 . 34958 GNP HOA2 HOA2 HOA2 2HOA . H . . N 0 . . . 0 N N . . . . 8.842 . 35.314 . 19.885 . 2.543 -0.764 3.004 37 . 34958 GNP H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 N N . . . . 10.312 . 33.778 . 21.868 . 1.265 1.326 0.058 38 . 34958 GNP H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 N N . . . . 10.833 . 32.198 . 21.586 . 2.673 0.356 0.551 39 . 34958 GNP H4' H4' H4' H4* . H . . N 0 . . . 1 N N . . . . 12.560 . 33.493 . 22.483 . 2.251 -1.216 -1.329 40 . 34958 GNP H3' H3' H3' H3* . H . . N 0 . . . 1 N N . . . . 11.732 . 35.763 . 21.003 . 2.652 1.744 -1.793 41 . 34958 GNP HO3' HO3' HO3' *HO3 . H . . N 0 . . . 0 N N . . . . 13.762 . 36.688 . 21.539 . 4.505 0.889 -2.833 42 . 34958 GNP H2' H2' H2' H2* . H . . N 0 . . . 1 N N . . . . 12.500 . 34.887 . 18.730 . 1.639 1.686 -3.871 43 . 34958 GNP HO2' HO2' HO2' *HO2 . H . . N 0 . . . 0 N N . . . . 14.436 . 35.926 . 18.297 . 3.651 0.810 -4.606 44 . 34958 GNP H1' H1' H1' H1* . H . . N 0 . . . 1 N N . . . . 15.102 . 34.070 . 20.230 . 1.087 -1.281 -3.708 45 . 34958 GNP H8 H8 H8 H8 . H . . N 0 . . . 1 N N . . . . 12.203 . 32.779 . 17.728 . -1.341 1.509 -2.752 46 . 34958 GNP HN1 HN1 HN1 HN1 . H . . N 0 . . . 1 N N . . . . 18.375 . 31.513 . 16.056 . -2.166 -0.630 -8.797 47 . 34958 GNP HN21 HN21 HN21 1HN2 . H . . N 0 . . . 0 N N . . . . 18.992 . 32.991 . 19.048 . 0.786 -2.419 -8.210 48 . 34958 GNP HN22 HN22 HN22 2HN2 . H . . N 0 . . . 0 N N . . . . 19.471 . 33.029 . 17.420 . -0.421 -2.092 -9.332 49 . 34958 GNP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PG O1G N N 1 . 34958 GNP 2 . SING PG O2G N N 2 . 34958 GNP 3 . SING PG O3G N N 3 . 34958 GNP 4 . SING PG N3B N N 4 . 34958 GNP 5 . SING O2G HOG2 N N 5 . 34958 GNP 6 . SING O3G HOG3 N N 6 . 34958 GNP 7 . SING N3B PB N N 7 . 34958 GNP 8 . SING N3B HNB3 N N 8 . 34958 GNP 9 . DOUB PB O1B N N 9 . 34958 GNP 10 . SING PB O2B N N 10 . 34958 GNP 11 . SING PB O3A N N 11 . 34958 GNP 12 . SING O2B HOB2 N N 12 . 34958 GNP 13 . SING O3A PA N N 13 . 34958 GNP 14 . DOUB PA O1A N N 14 . 34958 GNP 15 . SING PA O2A N N 15 . 34958 GNP 16 . SING PA O5' N N 16 . 34958 GNP 17 . SING O2A HOA2 N N 17 . 34958 GNP 18 . SING O5' C5' N N 18 . 34958 GNP 19 . SING C5' C4' N N 19 . 34958 GNP 20 . SING C5' H5'2 N N 20 . 34958 GNP 21 . SING C5' H5'1 N N 21 . 34958 GNP 22 . SING C4' O4' N N 22 . 34958 GNP 23 . SING C4' C3' N N 23 . 34958 GNP 24 . SING C4' H4' N N 24 . 34958 GNP 25 . SING O4' C1' N N 25 . 34958 GNP 26 . SING C3' O3' N N 26 . 34958 GNP 27 . SING C3' C2' N N 27 . 34958 GNP 28 . SING C3' H3' N N 28 . 34958 GNP 29 . SING O3' HO3' N N 29 . 34958 GNP 30 . SING C2' O2' N N 30 . 34958 GNP 31 . SING C2' C1' N N 31 . 34958 GNP 32 . SING C2' H2' N N 32 . 34958 GNP 33 . SING O2' HO2' N N 33 . 34958 GNP 34 . SING C1' N9 N N 34 . 34958 GNP 35 . SING C1' H1' N N 35 . 34958 GNP 36 . SING N9 C8 Y N 36 . 34958 GNP 37 . SING N9 C4 Y N 37 . 34958 GNP 38 . DOUB C8 N7 Y N 38 . 34958 GNP 39 . SING C8 H8 N N 39 . 34958 GNP 40 . SING N7 C5 Y N 40 . 34958 GNP 41 . SING C5 C6 Y N 41 . 34958 GNP 42 . DOUB C5 C4 Y N 42 . 34958 GNP 43 . DOUB C6 O6 N N 43 . 34958 GNP 44 . SING C6 N1 Y N 44 . 34958 GNP 45 . SING N1 C2 Y N 45 . 34958 GNP 46 . SING N1 HN1 N N 46 . 34958 GNP 47 . SING C2 N2 N N 47 . 34958 GNP 48 . DOUB C2 N3 Y N 48 . 34958 GNP 49 . SING N2 HN21 N N 49 . 34958 GNP 50 . SING N2 HN22 N N 50 . 34958 GNP 51 . SING N3 C4 Y N 51 . 34958 GNP stop_ save_ save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 34958 _Chem_comp.ID MG _Chem_comp.Provenance PDB _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code MG _Chem_comp.PDB_code MG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MG _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Mg/q+2 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Mg _Chem_comp.Formula_weight 24.305 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Mg/q+2 InChI InChI 1.03 34958 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 34958 MG [Mg++] SMILES CACTVS 3.341 34958 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 34958 MG [Mg+2] SMILES ACDLabs 10.04 34958 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 34958 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34958 MG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 34958 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34958 MG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID MG MG MG MG . MG . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 34958 MG stop_ save_ save_chem_comp_HOH _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_HOH _Chem_comp.Entry_ID 34958 _Chem_comp.ID HOH _Chem_comp.Provenance PDB _Chem_comp.Name WATER _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code HOH _Chem_comp.PDB_code HOH _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces MTO _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code HOH _Chem_comp.Number_atoms_all 3 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/H2O/h1H2 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 O' _Chem_comp.Formula_weight 18.015 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1NHE _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/H2O/h1H2 InChI InChI 1.03 34958 HOH O SMILES ACDLabs 10.04 34958 HOH O SMILES CACTVS 3.341 34958 HOH O SMILES 'OpenEye OEToolkits' 1.5.0 34958 HOH O SMILES_CANONICAL CACTVS 3.341 34958 HOH O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34958 HOH XLYOFNOQVPJJNP-UHFFFAOYSA-N InChIKey InChI 1.03 34958 HOH stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID oxidane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34958 HOH water 'SYSTEMATIC NAME' ACDLabs 10.04 34958 HOH stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID O O O O . O . . N 0 . . . 1 N N . . . . -23.107 . 18.401 . -21.626 . -0.064 0.000 0.000 1 . 34958 HOH H1 H1 H1 1H . H . . N 0 . . . 1 N N . . . . -22.157 . 18.401 . -21.626 . 0.512 0.000 -0.776 2 . 34958 HOH H2 H2 H2 2H . H . . N 0 . . . 1 N N . . . . -23.424 . 18.401 . -20.730 . 0.512 0.000 0.776 3 . 34958 HOH stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING O H1 N N 1 . 34958 HOH 2 . SING O H2 N N 2 . 34958 HOH stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34958 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.48 mM [U-100% 15N] Cdc42, 0.58 mM None Peptide, 50 mM None sodium phosphate, 150 mM None sodium chloride, 90% H2O/10% D2O' _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 Cdc42 '[U-100% 15N]' . . 1 $entity_1 . . 0.48 . . mM . . . . 34958 1 2 Peptide None . . 2 $entity_2 . . 0.58 . . mM . . . . 34958 1 3 'sodium phosphate' None . . . . . . 50 . . mM . . . . 34958 1 4 'sodium chloride' None . . . . . . 150 . . mM . . . . 34958 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34958 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4 mM [U-13C; U-15N] Cdc42, 0.45 mM None Peptide, 50 mM None sodium phosphate, 150 mM None sodium chloride, 90% H2O/10% D2O' _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 Cdc42 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 34958 2 2 Peptide None . . 2 $entity_2 . . 0.45 . . mM . . . . 34958 2 3 'sodium phosphate' None . . . . . . 50 . . mM . . . . 34958 2 4 'sodium chloride' None . . . . . . 150 . . mM . . . . 34958 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34958 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.415 mM [U-100% 15N] Peptide, 0.45 mM None Cdc42, 50 mM None sodium phosphate, 150 mM None sodium chloride, 90% H2O/10% D2O' _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 Cdc42 None . . 1 $entity_1 . . 0.45 . . mM . . . . 34958 3 2 Peptide '[U-100% 15N]' . . 2 $entity_2 . . 0.415 . . mM . . . . 34958 3 3 'sodium phosphate' None . . . . . . 50 . . mM . . . . 34958 3 4 'sodium chloride' None . . . . . . 150 . . mM . . . . 34958 3 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 34958 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 200 . mM 34958 1 pH 6.8 . pH 34958 1 pressure 1 . atm 34958 1 temperature 298 . K 34958 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34958 _Software.ID 1 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34958 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34958 1 'peak picking' . 34958 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34958 _Software.ID 2 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34958 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34958 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34958 _Software.ID 3 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34958 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34958 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34958 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34958 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 34958 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker AVANCE . 800 . . . 34958 1 2 NMR_spectrometer_2 Bruker AVANCE . 600 . . . 34958 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 34958 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34958 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34958 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34958 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34958 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34958 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34958 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34958 1 8 '3D X-filtered NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34958 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34958 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34958 1 11 '3D HN(COCA)CB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34958 1 12 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34958 1 13 '3D HN(CO)CA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34958 1 14 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34958 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34958 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 34958 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34958 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34958 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34958 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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' . . . 34958 1 2 '3D 1H-15N NOESY' . . . 34958 1 3 '3D 1H-15N TOCSY' . . . 34958 1 4 '2D 1H-15N HSQC' . . . 34958 1 5 '3D 1H-15N NOESY' . . . 34958 1 6 '3D 1H-15N TOCSY' . . . 34958 1 7 '2D 1H-13C HSQC' . . . 34958 1 8 '3D X-filtered NOESY' . . . 34958 1 9 '3D 1H-13C NOESY' . . . 34958 1 10 '3D HCCH-TOCSY' . . . 34958 1 11 '3D HN(COCA)CB' . . . 34958 1 12 '3D HNCACB' . . . 34958 1 13 '3D HN(CO)CA' . . . 34958 1 14 '3D HNCA' . . . 34958 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 1 1 MET H2 H 1 8.279 0.012 . 1 . . . . A 1 MET H . 34958 1 2 . 1 . 1 1 1 MET HA H 1 4.279 0.004 . 1 . . . . A 1 MET HA . 34958 1 3 . 1 . 1 1 1 MET HB2 H 1 1.845 0.006 . 2 . . . . A 1 MET HB2 . 34958 1 4 . 1 . 1 1 1 MET HB3 H 1 1.921 0.008 . 2 . . . . A 1 MET HB3 . 34958 1 5 . 1 . 1 1 1 MET HG2 H 1 2.374 0.009 . 1 . . . . A 1 MET HG2 . 34958 1 6 . 1 . 1 1 1 MET HE1 H 1 1.938 0.006 . 1 . . . . A 1 MET HE1 . 34958 1 7 . 1 . 1 1 1 MET HE2 H 1 1.938 0.006 . 1 . . . . A 1 MET HE2 . 34958 1 8 . 1 . 1 1 1 MET HE3 H 1 1.938 0.006 . 1 . . . . A 1 MET HE3 . 34958 1 9 . 1 . 1 1 1 MET CA C 13 55.771 0.010 . 1 . . . . A 1 MET CA . 34958 1 10 . 1 . 1 1 1 MET CB C 13 33.134 0.063 . 1 . . . . A 1 MET CB . 34958 1 11 . 1 . 1 1 1 MET CG C 13 31.780 0.024 . 1 . . . . A 1 MET CG . 34958 1 12 . 1 . 1 1 1 MET CE C 13 16.848 0.013 . 1 . . . . A 1 MET CE . 34958 1 13 . 1 . 1 1 1 MET N N 15 121.736 0.073 . 1 . . . . A 1 MET N . 34958 1 14 . 1 . 1 2 2 GLN H H 1 8.410 0.015 . 1 . . . . A 2 GLN H . 34958 1 15 . 1 . 1 2 2 GLN HA H 1 3.983 0.008 . 1 . . . . A 2 GLN HA . 34958 1 16 . 1 . 1 2 2 GLN HB2 H 1 1.562 0.005 . 2 . . . . A 2 GLN HB2 . 34958 1 17 . 1 . 1 2 2 GLN HB3 H 1 1.405 0.011 . 2 . . . . A 2 GLN HB3 . 34958 1 18 . 1 . 1 2 2 GLN HG2 H 1 1.971 0.011 . 2 . . . . A 2 GLN HG2 . 34958 1 19 . 1 . 1 2 2 GLN HG3 H 1 1.985 0.008 . 2 . . . . A 2 GLN HG3 . 34958 1 20 . 1 . 1 2 2 GLN HE21 H 1 7.337 0.006 . 1 . . . . A 2 GLN HE21 . 34958 1 21 . 1 . 1 2 2 GLN HE22 H 1 6.714 0.005 . 1 . . . . A 2 GLN HE22 . 34958 1 22 . 1 . 1 2 2 GLN CA C 13 56.212 0.054 . 1 . . . . A 2 GLN CA . 34958 1 23 . 1 . 1 2 2 GLN CB C 13 28.848 0.054 . 1 . . . . A 2 GLN CB . 34958 1 24 . 1 . 1 2 2 GLN CG C 13 34.501 0.048 . 1 . . . . A 2 GLN CG . 34958 1 25 . 1 . 1 2 2 GLN N N 15 122.236 0.032 . 1 . . . . A 2 GLN N . 34958 1 26 . 1 . 1 2 2 GLN NE2 N 15 111.578 0.052 . 1 . . . . A 2 GLN NE2 . 34958 1 27 . 1 . 1 3 3 THR H H 1 8.076 0.007 . 1 . . . . A 3 THR H . 34958 1 28 . 1 . 1 3 3 THR HA H 1 5.334 0.008 . 1 . . . . A 3 THR HA . 34958 1 29 . 1 . 1 3 3 THR HB H 1 3.995 0.006 . 1 . . . . A 3 THR HB . 34958 1 30 . 1 . 1 3 3 THR HG21 H 1 1.054 0.006 . 1 . . . . A 3 THR HG21 . 34958 1 31 . 1 . 1 3 3 THR HG22 H 1 1.054 0.006 . 1 . . . . A 3 THR HG22 . 34958 1 32 . 1 . 1 3 3 THR HG23 H 1 1.054 0.006 . 1 . . . . A 3 THR HG23 . 34958 1 33 . 1 . 1 3 3 THR CA C 13 60.822 0.049 . 1 . . . . A 3 THR CA . 34958 1 34 . 1 . 1 3 3 THR CB C 13 71.869 0.061 . 1 . . . . A 3 THR CB . 34958 1 35 . 1 . 1 3 3 THR CG2 C 13 21.172 0.055 . 1 . . . . A 3 THR CG2 . 34958 1 36 . 1 . 1 3 3 THR N N 15 114.662 0.043 . 1 . . . . A 3 THR N . 34958 1 37 . 1 . 1 4 4 ILE H H 1 8.935 0.010 . 1 . . . . A 4 ILE H . 34958 1 38 . 1 . 1 4 4 ILE HA H 1 4.364 0.014 . 1 . . . . A 4 ILE HA . 34958 1 39 . 1 . 1 4 4 ILE HB H 1 1.571 0.004 . 1 . . . . A 4 ILE HB . 34958 1 40 . 1 . 1 4 4 ILE HG12 H 1 1.574 0.008 . 2 . . . . A 4 ILE HG12 . 34958 1 41 . 1 . 1 4 4 ILE HG13 H 1 0.915 0.011 . 2 . . . . A 4 ILE HG13 . 34958 1 42 . 1 . 1 4 4 ILE HG21 H 1 0.598 0.005 . 1 . . . . A 4 ILE HG21 . 34958 1 43 . 1 . 1 4 4 ILE HG22 H 1 0.598 0.005 . 1 . . . . A 4 ILE HG22 . 34958 1 44 . 1 . 1 4 4 ILE HG23 H 1 0.598 0.005 . 1 . . . . A 4 ILE HG23 . 34958 1 45 . 1 . 1 4 4 ILE HD11 H 1 0.543 0.006 . 1 . . . . A 4 ILE HD11 . 34958 1 46 . 1 . 1 4 4 ILE HD12 H 1 0.543 0.006 . 1 . . . . A 4 ILE HD12 . 34958 1 47 . 1 . 1 4 4 ILE HD13 H 1 0.543 0.006 . 1 . . . . A 4 ILE HD13 . 34958 1 48 . 1 . 1 4 4 ILE CA C 13 60.341 0.062 . 1 . . . . A 4 ILE CA . 34958 1 49 . 1 . 1 4 4 ILE CB C 13 42.076 0.016 . 1 . . . . A 4 ILE CB . 34958 1 50 . 1 . 1 4 4 ILE CG1 C 13 27.515 0.061 . 1 . . . . A 4 ILE CG1 . 34958 1 51 . 1 . 1 4 4 ILE CG2 C 13 17.715 0.091 . 1 . . . . A 4 ILE CG2 . 34958 1 52 . 1 . 1 4 4 ILE CD1 C 13 14.706 0.018 . 1 . . . . A 4 ILE CD1 . 34958 1 53 . 1 . 1 4 4 ILE N N 15 124.868 0.044 . 1 . . . . A 4 ILE N . 34958 1 54 . 1 . 1 5 5 LYS H H 1 10.592 0.014 . 1 . . . . A 5 LYS H . 34958 1 55 . 1 . 1 5 5 LYS HA H 1 4.919 0.004 . 1 . . . . A 5 LYS HA . 34958 1 56 . 1 . 1 5 5 LYS HB2 H 1 1.989 0.002 . 1 . . . . A 5 LYS HB2 . 34958 1 57 . 1 . 1 5 5 LYS HG2 H 1 0.605 0.016 . 2 . . . . A 5 LYS HG2 . 34958 1 58 . 1 . 1 5 5 LYS HG3 H 1 1.004 0.007 . 2 . . . . A 5 LYS HG3 . 34958 1 59 . 1 . 1 5 5 LYS N N 15 130.918 0.030 . 1 . . . . A 5 LYS N . 34958 1 60 . 1 . 1 6 6 CYS H H 1 9.444 0.014 . 1 . . . . A 6 CYS H . 34958 1 61 . 1 . 1 6 6 CYS HA H 1 5.613 0.008 . 1 . . . . A 6 CYS HA . 34958 1 62 . 1 . 1 6 6 CYS HB2 H 1 2.922 0.013 . 2 . . . . A 6 CYS HB2 . 34958 1 63 . 1 . 1 6 6 CYS HB3 H 1 2.299 0.009 . 2 . . . . A 6 CYS HB3 . 34958 1 64 . 1 . 1 6 6 CYS HG H 1 1.035 0.020 . 1 . . . . A 6 CYS HG . 34958 1 65 . 1 . 1 6 6 CYS CA C 13 55.957 0.070 . 1 . . . . A 6 CYS CA . 34958 1 66 . 1 . 1 6 6 CYS CB C 13 29.098 0.103 . 1 . . . . A 6 CYS CB . 34958 1 67 . 1 . 1 6 6 CYS N N 15 131.031 0.076 . 1 . . . . A 6 CYS N . 34958 1 68 . 1 . 1 7 7 VAL H H 1 7.745 0.011 . 1 . . . . A 7 VAL H . 34958 1 69 . 1 . 1 7 7 VAL HA H 1 4.951 0.008 . 1 . . . . A 7 VAL HA . 34958 1 70 . 1 . 1 7 7 VAL HB H 1 1.660 0.008 . 1 . . . . A 7 VAL HB . 34958 1 71 . 1 . 1 7 7 VAL HG11 H 1 1.081 0.010 . 2 . . . . A 7 VAL HG11 . 34958 1 72 . 1 . 1 7 7 VAL HG12 H 1 1.081 0.010 . 2 . . . . A 7 VAL HG12 . 34958 1 73 . 1 . 1 7 7 VAL HG13 H 1 1.081 0.010 . 2 . . . . A 7 VAL HG13 . 34958 1 74 . 1 . 1 7 7 VAL HG21 H 1 0.739 0.011 . 2 . . . . A 7 VAL HG21 . 34958 1 75 . 1 . 1 7 7 VAL HG22 H 1 0.739 0.011 . 2 . . . . A 7 VAL HG22 . 34958 1 76 . 1 . 1 7 7 VAL HG23 H 1 0.739 0.011 . 2 . . . . A 7 VAL HG23 . 34958 1 77 . 1 . 1 7 7 VAL CA C 13 60.907 0.030 . 1 . . . . A 7 VAL CA . 34958 1 78 . 1 . 1 7 7 VAL CB C 13 33.704 0.026 . 1 . . . . A 7 VAL CB . 34958 1 79 . 1 . 1 7 7 VAL CG1 C 13 22.303 0.041 . 2 . . . . A 7 VAL CG1 . 34958 1 80 . 1 . 1 7 7 VAL CG2 C 13 23.640 0.037 . 2 . . . . A 7 VAL CG2 . 34958 1 81 . 1 . 1 7 7 VAL N N 15 129.091 0.067 . 1 . . . . A 7 VAL N . 34958 1 82 . 1 . 1 8 8 VAL H H 1 8.363 0.009 . 1 . . . . A 8 VAL H . 34958 1 83 . 1 . 1 8 8 VAL HA H 1 5.057 0.013 . 1 . . . . A 8 VAL HA . 34958 1 84 . 1 . 1 8 8 VAL HB H 1 2.133 0.007 . 1 . . . . A 8 VAL HB . 34958 1 85 . 1 . 1 8 8 VAL HG11 H 1 1.012 0.007 . 2 . . . . A 8 VAL HG11 . 34958 1 86 . 1 . 1 8 8 VAL HG12 H 1 1.012 0.007 . 2 . . . . A 8 VAL HG12 . 34958 1 87 . 1 . 1 8 8 VAL HG13 H 1 1.012 0.007 . 2 . . . . A 8 VAL HG13 . 34958 1 88 . 1 . 1 8 8 VAL HG21 H 1 0.881 0.005 . 2 . . . . A 8 VAL HG21 . 34958 1 89 . 1 . 1 8 8 VAL HG22 H 1 0.881 0.005 . 2 . . . . A 8 VAL HG22 . 34958 1 90 . 1 . 1 8 8 VAL HG23 H 1 0.881 0.005 . 2 . . . . A 8 VAL HG23 . 34958 1 91 . 1 . 1 8 8 VAL CA C 13 60.851 0.034 . 1 . . . . A 8 VAL CA . 34958 1 92 . 1 . 1 8 8 VAL CB C 13 33.268 0.018 . 1 . . . . A 8 VAL CB . 34958 1 93 . 1 . 1 8 8 VAL CG1 C 13 22.513 0.032 . 2 . . . . A 8 VAL CG1 . 34958 1 94 . 1 . 1 8 8 VAL CG2 C 13 23.000 0.019 . 2 . . . . A 8 VAL CG2 . 34958 1 95 . 1 . 1 8 8 VAL N N 15 126.215 0.045 . 1 . . . . A 8 VAL N . 34958 1 96 . 1 . 1 9 9 VAL H H 1 8.781 0.007 . 1 . . . . A 9 VAL H . 34958 1 97 . 1 . 1 9 9 VAL HA H 1 4.401 0.008 . 1 . . . . A 9 VAL HA . 34958 1 98 . 1 . 1 9 9 VAL HB H 1 1.883 0.010 . 1 . . . . A 9 VAL HB . 34958 1 99 . 1 . 1 9 9 VAL HG11 H 1 0.617 0.008 . 2 . . . . A 9 VAL HG11 . 34958 1 100 . 1 . 1 9 9 VAL HG12 H 1 0.617 0.008 . 2 . . . . A 9 VAL HG12 . 34958 1 101 . 1 . 1 9 9 VAL HG13 H 1 0.617 0.008 . 2 . . . . A 9 VAL HG13 . 34958 1 102 . 1 . 1 9 9 VAL HG21 H 1 1.054 0.009 . 2 . . . . A 9 VAL HG21 . 34958 1 103 . 1 . 1 9 9 VAL HG22 H 1 1.054 0.009 . 2 . . . . A 9 VAL HG22 . 34958 1 104 . 1 . 1 9 9 VAL HG23 H 1 1.054 0.009 . 2 . . . . A 9 VAL HG23 . 34958 1 105 . 1 . 1 9 9 VAL CA C 13 58.493 0.023 . 1 . . . . A 9 VAL CA . 34958 1 106 . 1 . 1 9 9 VAL CB C 13 35.500 0.057 . 1 . . . . A 9 VAL CB . 34958 1 107 . 1 . 1 9 9 VAL CG1 C 13 20.017 0.052 . 2 . . . . A 9 VAL CG1 . 34958 1 108 . 1 . 1 9 9 VAL CG2 C 13 21.513 0.049 . 2 . . . . A 9 VAL CG2 . 34958 1 109 . 1 . 1 9 9 VAL N N 15 116.934 0.039 . 1 . . . . A 9 VAL N . 34958 1 110 . 1 . 1 10 10 GLY H H 1 6.674 0.008 . 1 . . . . A 10 GLY H . 34958 1 111 . 1 . 1 10 10 GLY HA2 H 1 1.547 0.011 . 2 . . . . A 10 GLY HA2 . 34958 1 112 . 1 . 1 10 10 GLY HA3 H 1 3.986 0.018 . 2 . . . . A 10 GLY HA3 . 34958 1 113 . 1 . 1 10 10 GLY CA C 13 43.237 0.061 . 1 . . . . A 10 GLY CA . 34958 1 114 . 1 . 1 10 10 GLY N N 15 107.331 0.004 . 1 . . . . A 10 GLY N . 34958 1 115 . 1 . 1 11 11 ASP H H 1 8.221 0.010 . 1 . . . . A 11 ASP H . 34958 1 116 . 1 . 1 11 11 ASP HA H 1 4.705 0.011 . 1 . . . . A 11 ASP HA . 34958 1 117 . 1 . 1 11 11 ASP HB2 H 1 2.725 0.003 . 1 . . . . A 11 ASP HB2 . 34958 1 118 . 1 . 1 11 11 ASP CA C 13 56.160 0.219 . 1 . . . . A 11 ASP CA . 34958 1 119 . 1 . 1 11 11 ASP N N 15 117.684 0.032 . 1 . . . . A 11 ASP N . 34958 1 120 . 1 . 1 12 12 GLY H H 1 8.533 0.008 . 1 . . . . A 12 GLY H . 34958 1 121 . 1 . 1 12 12 GLY HA2 H 1 3.448 0.009 . 1 . . . . A 12 GLY HA2 . 34958 1 122 . 1 . 1 12 12 GLY CA C 13 46.548 0.060 . 1 . . . . A 12 GLY CA . 34958 1 123 . 1 . 1 12 12 GLY N N 15 104.815 0.037 . 1 . . . . A 12 GLY N . 34958 1 124 . 1 . 1 13 13 ALA H H 1 9.268 0.012 . 1 . . . . A 13 ALA H . 34958 1 125 . 1 . 1 13 13 ALA HA H 1 4.673 0.000 . 1 . . . . A 13 ALA HA . 34958 1 126 . 1 . 1 13 13 ALA HB1 H 1 1.318 0.003 . 1 . . . . A 13 ALA HB1 . 34958 1 127 . 1 . 1 13 13 ALA HB2 H 1 1.318 0.003 . 1 . . . . A 13 ALA HB2 . 34958 1 128 . 1 . 1 13 13 ALA HB3 H 1 1.318 0.003 . 1 . . . . A 13 ALA HB3 . 34958 1 129 . 1 . 1 13 13 ALA CA C 13 46.507 0.000 . 1 . . . . A 13 ALA CA . 34958 1 130 . 1 . 1 13 13 ALA CB C 13 21.082 0.004 . 1 . . . . A 13 ALA CB . 34958 1 131 . 1 . 1 13 13 ALA N N 15 122.586 0.116 . 1 . . . . A 13 ALA N . 34958 1 132 . 1 . 1 14 14 VAL H H 1 9.264 0.013 . 1 . . . . A 14 VAL H . 34958 1 133 . 1 . 1 14 14 VAL CA C 13 62.924 0.034 . 1 . . . . A 14 VAL CA . 34958 1 134 . 1 . 1 14 14 VAL N N 15 122.645 0.088 . 1 . . . . A 14 VAL N . 34958 1 135 . 1 . 1 15 15 GLY H H 1 8.439 0.018 . 1 . . . . A 15 GLY H . 34958 1 136 . 1 . 1 15 15 GLY CA C 13 44.563 0.000 . 1 . . . . A 15 GLY CA . 34958 1 137 . 1 . 1 15 15 GLY N N 15 109.248 0.043 . 1 . . . . A 15 GLY N . 34958 1 138 . 1 . 1 16 16 LYS H H 1 9.185 0.005 . 1 . . . . A 16 LYS H . 34958 1 139 . 1 . 1 16 16 LYS HA H 1 3.521 0.012 . 1 . . . . A 16 LYS HA . 34958 1 140 . 1 . 1 16 16 LYS HB2 H 1 2.384 0.000 . 1 . . . . A 16 LYS HB2 . 34958 1 141 . 1 . 1 16 16 LYS HG2 H 1 1.501 0.000 . 1 . . . . A 16 LYS HG2 . 34958 1 142 . 1 . 1 16 16 LYS CA C 13 60.794 0.043 . 1 . . . . A 16 LYS CA . 34958 1 143 . 1 . 1 16 16 LYS N N 15 125.565 0.063 . 1 . . . . A 16 LYS N . 34958 1 144 . 1 . 1 17 17 THR H H 1 9.135 0.006 . 1 . . . . A 17 THR H . 34958 1 145 . 1 . 1 17 17 THR HA H 1 4.018 0.001 . 1 . . . . A 17 THR HA . 34958 1 146 . 1 . 1 17 17 THR HB H 1 4.332 0.011 . 1 . . . . A 17 THR HB . 34958 1 147 . 1 . 1 17 17 THR HG21 H 1 1.143 0.003 . 1 . . . . A 17 THR HG21 . 34958 1 148 . 1 . 1 17 17 THR HG22 H 1 1.143 0.003 . 1 . . . . A 17 THR HG22 . 34958 1 149 . 1 . 1 17 17 THR HG23 H 1 1.143 0.003 . 1 . . . . A 17 THR HG23 . 34958 1 150 . 1 . 1 17 17 THR CA C 13 66.711 0.077 . 1 . . . . A 17 THR CA . 34958 1 151 . 1 . 1 17 17 THR CB C 13 68.019 0.024 . 1 . . . . A 17 THR CB . 34958 1 152 . 1 . 1 17 17 THR CG2 C 13 21.986 0.038 . 1 . . . . A 17 THR CG2 . 34958 1 153 . 1 . 1 17 17 THR N N 15 119.346 0.036 . 1 . . . . A 17 THR N . 34958 1 154 . 1 . 1 18 18 CYS H H 1 9.694 0.013 . 1 . . . . A 18 CYS H . 34958 1 155 . 1 . 1 18 18 CYS HA H 1 4.120 0.018 . 1 . . . . A 18 CYS HA . 34958 1 156 . 1 . 1 18 18 CYS HB2 H 1 2.710 0.000 . 2 . . . . A 18 CYS HB2 . 34958 1 157 . 1 . 1 18 18 CYS HB3 H 1 2.063 0.000 . 2 . . . . A 18 CYS HB3 . 34958 1 158 . 1 . 1 18 18 CYS CA C 13 65.638 0.000 . 1 . . . . A 18 CYS CA . 34958 1 159 . 1 . 1 19 19 LEU H H 1 8.028 0.007 . 1 . . . . A 19 LEU H . 34958 1 160 . 1 . 1 19 19 LEU HA H 1 3.918 0.011 . 1 . . . . A 19 LEU HA . 34958 1 161 . 1 . 1 19 19 LEU HB2 H 1 2.324 0.011 . 2 . . . . A 19 LEU HB2 . 34958 1 162 . 1 . 1 19 19 LEU HB3 H 1 1.563 0.005 . 2 . . . . A 19 LEU HB3 . 34958 1 163 . 1 . 1 19 19 LEU HG H 1 1.712 0.010 . 1 . . . . A 19 LEU HG . 34958 1 164 . 1 . 1 19 19 LEU HD11 H 1 0.637 0.010 . 2 . . . . A 19 LEU HD11 . 34958 1 165 . 1 . 1 19 19 LEU HD12 H 1 0.637 0.010 . 2 . . . . A 19 LEU HD12 . 34958 1 166 . 1 . 1 19 19 LEU HD13 H 1 0.637 0.010 . 2 . . . . A 19 LEU HD13 . 34958 1 167 . 1 . 1 19 19 LEU HD21 H 1 0.753 0.007 . 2 . . . . A 19 LEU HD21 . 34958 1 168 . 1 . 1 19 19 LEU HD22 H 1 0.753 0.007 . 2 . . . . A 19 LEU HD22 . 34958 1 169 . 1 . 1 19 19 LEU HD23 H 1 0.753 0.007 . 2 . . . . A 19 LEU HD23 . 34958 1 170 . 1 . 1 19 19 LEU CA C 13 59.538 0.061 . 1 . . . . A 19 LEU CA . 34958 1 171 . 1 . 1 19 19 LEU CB C 13 41.919 0.048 . 1 . . . . A 19 LEU CB . 34958 1 172 . 1 . 1 19 19 LEU CG C 13 26.851 0.048 . 1 . . . . A 19 LEU CG . 34958 1 173 . 1 . 1 19 19 LEU CD1 C 13 26.471 0.030 . 2 . . . . A 19 LEU CD1 . 34958 1 174 . 1 . 1 19 19 LEU CD2 C 13 26.894 0.035 . 2 . . . . A 19 LEU CD2 . 34958 1 175 . 1 . 1 19 19 LEU N N 15 121.613 0.049 . 1 . . . . A 19 LEU N . 34958 1 176 . 1 . 1 20 20 LEU H H 1 7.552 0.014 . 1 . . . . A 20 LEU H . 34958 1 177 . 1 . 1 20 20 LEU HA H 1 3.975 0.015 . 1 . . . . A 20 LEU HA . 34958 1 178 . 1 . 1 20 20 LEU HG H 1 2.073 0.012 . 1 . . . . A 20 LEU HG . 34958 1 179 . 1 . 1 20 20 LEU HD11 H 1 0.861 0.010 . 2 . . . . A 20 LEU HD11 . 34958 1 180 . 1 . 1 20 20 LEU HD12 H 1 0.861 0.010 . 2 . . . . A 20 LEU HD12 . 34958 1 181 . 1 . 1 20 20 LEU HD13 H 1 0.861 0.010 . 2 . . . . A 20 LEU HD13 . 34958 1 182 . 1 . 1 20 20 LEU HD21 H 1 0.932 0.012 . 2 . . . . A 20 LEU HD21 . 34958 1 183 . 1 . 1 20 20 LEU HD22 H 1 0.932 0.012 . 2 . . . . A 20 LEU HD22 . 34958 1 184 . 1 . 1 20 20 LEU HD23 H 1 0.932 0.012 . 2 . . . . A 20 LEU HD23 . 34958 1 185 . 1 . 1 20 20 LEU CA C 13 58.051 0.012 . 1 . . . . A 20 LEU CA . 34958 1 186 . 1 . 1 20 20 LEU CG C 13 26.443 0.037 . 1 . . . . A 20 LEU CG . 34958 1 187 . 1 . 1 20 20 LEU CD1 C 13 25.150 0.041 . 2 . . . . A 20 LEU CD1 . 34958 1 188 . 1 . 1 20 20 LEU CD2 C 13 24.120 0.023 . 2 . . . . A 20 LEU CD2 . 34958 1 189 . 1 . 1 20 20 LEU N N 15 116.975 0.059 . 1 . . . . A 20 LEU N . 34958 1 190 . 1 . 1 21 21 ILE H H 1 9.328 0.009 . 1 . . . . A 21 ILE H . 34958 1 191 . 1 . 1 21 21 ILE HA H 1 3.459 0.017 . 1 . . . . A 21 ILE HA . 34958 1 192 . 1 . 1 21 21 ILE HB H 1 1.561 0.021 . 1 . . . . A 21 ILE HB . 34958 1 193 . 1 . 1 21 21 ILE HG12 H 1 1.247 0.012 . 1 . . . . A 21 ILE HG12 . 34958 1 194 . 1 . 1 21 21 ILE HG21 H 1 0.657 0.006 . 1 . . . . A 21 ILE HG21 . 34958 1 195 . 1 . 1 21 21 ILE HG22 H 1 0.657 0.006 . 1 . . . . A 21 ILE HG22 . 34958 1 196 . 1 . 1 21 21 ILE HG23 H 1 0.657 0.006 . 1 . . . . A 21 ILE HG23 . 34958 1 197 . 1 . 1 21 21 ILE HD11 H 1 0.308 0.010 . 1 . . . . A 21 ILE HD11 . 34958 1 198 . 1 . 1 21 21 ILE HD12 H 1 0.308 0.010 . 1 . . . . A 21 ILE HD12 . 34958 1 199 . 1 . 1 21 21 ILE HD13 H 1 0.308 0.010 . 1 . . . . A 21 ILE HD13 . 34958 1 200 . 1 . 1 21 21 ILE CB C 13 36.714 0.001 . 1 . . . . A 21 ILE CB . 34958 1 201 . 1 . 1 21 21 ILE CG1 C 13 28.001 0.050 . 1 . . . . A 21 ILE CG1 . 34958 1 202 . 1 . 1 21 21 ILE CG2 C 13 17.342 0.034 . 1 . . . . A 21 ILE CG2 . 34958 1 203 . 1 . 1 21 21 ILE CD1 C 13 9.681 0.055 . 1 . . . . A 21 ILE CD1 . 34958 1 204 . 1 . 1 22 22 SER H H 1 8.813 0.006 . 1 . . . . A 22 SER H . 34958 1 205 . 1 . 1 22 22 SER HA H 1 4.257 0.007 . 1 . . . . A 22 SER HA . 34958 1 206 . 1 . 1 22 22 SER HB2 H 1 3.963 0.006 . 2 . . . . A 22 SER HB2 . 34958 1 207 . 1 . 1 22 22 SER HB3 H 1 4.021 0.005 . 2 . . . . A 22 SER HB3 . 34958 1 208 . 1 . 1 22 22 SER CA C 13 63.159 0.005 . 1 . . . . A 22 SER CA . 34958 1 209 . 1 . 1 22 22 SER CB C 13 63.426 0.010 . 1 . . . . A 22 SER CB . 34958 1 210 . 1 . 1 22 22 SER N N 15 120.496 0.036 . 1 . . . . A 22 SER N . 34958 1 211 . 1 . 1 23 23 TYR H H 1 7.679 0.004 . 1 . . . . A 23 TYR H . 34958 1 212 . 1 . 1 23 23 TYR HA H 1 4.086 0.006 . 1 . . . . A 23 TYR HA . 34958 1 213 . 1 . 1 23 23 TYR HB2 H 1 2.666 0.007 . 2 . . . . A 23 TYR HB2 . 34958 1 214 . 1 . 1 23 23 TYR HB3 H 1 3.004 0.003 . 2 . . . . A 23 TYR HB3 . 34958 1 215 . 1 . 1 23 23 TYR HD1 H 1 6.784 0.005 . 1 . . . . A 23 TYR HD1 . 34958 1 216 . 1 . 1 23 23 TYR HD2 H 1 6.784 0.005 . 1 . . . . A 23 TYR HD2 . 34958 1 217 . 1 . 1 23 23 TYR HE1 H 1 6.490 0.009 . 1 . . . . A 23 TYR HE1 . 34958 1 218 . 1 . 1 23 23 TYR HE2 H 1 6.490 0.009 . 1 . . . . A 23 TYR HE2 . 34958 1 219 . 1 . 1 23 23 TYR CA C 13 59.474 0.000 . 1 . . . . A 23 TYR CA . 34958 1 220 . 1 . 1 23 23 TYR CB C 13 39.663 0.015 . 1 . . . . A 23 TYR CB . 34958 1 221 . 1 . 1 23 23 TYR CD1 C 13 133.031 0.076 . 1 . . . . A 23 TYR CD1 . 34958 1 222 . 1 . 1 23 23 TYR CD2 C 13 133.031 0.076 . 1 . . . . A 23 TYR CD2 . 34958 1 223 . 1 . 1 23 23 TYR CE1 C 13 117.492 0.067 . 1 . . . . A 23 TYR CE1 . 34958 1 224 . 1 . 1 23 23 TYR CE2 C 13 117.492 0.067 . 1 . . . . A 23 TYR CE2 . 34958 1 225 . 1 . 1 23 23 TYR N N 15 119.624 0.023 . 1 . . . . A 23 TYR N . 34958 1 226 . 1 . 1 24 24 THR H H 1 8.234 0.014 . 1 . . . . A 24 THR H . 34958 1 227 . 1 . 1 24 24 THR HA H 1 3.108 0.011 . 1 . . . . A 24 THR HA . 34958 1 228 . 1 . 1 24 24 THR HB H 1 3.627 0.010 . 1 . . . . A 24 THR HB . 34958 1 229 . 1 . 1 24 24 THR HG21 H 1 0.844 0.008 . 1 . . . . A 24 THR HG21 . 34958 1 230 . 1 . 1 24 24 THR HG22 H 1 0.844 0.008 . 1 . . . . A 24 THR HG22 . 34958 1 231 . 1 . 1 24 24 THR HG23 H 1 0.844 0.008 . 1 . . . . A 24 THR HG23 . 34958 1 232 . 1 . 1 24 24 THR CA C 13 65.029 0.064 . 1 . . . . A 24 THR CA . 34958 1 233 . 1 . 1 24 24 THR CB C 13 69.436 0.028 . 1 . . . . A 24 THR CB . 34958 1 234 . 1 . 1 24 24 THR CG2 C 13 23.407 0.086 . 1 . . . . A 24 THR CG2 . 34958 1 235 . 1 . 1 24 24 THR N N 15 107.949 0.139 . 1 . . . . A 24 THR N . 34958 1 236 . 1 . 1 25 25 THR H H 1 8.112 0.006 . 1 . . . . A 25 THR H . 34958 1 237 . 1 . 1 25 25 THR HA H 1 4.512 0.005 . 1 . . . . A 25 THR HA . 34958 1 238 . 1 . 1 25 25 THR HB H 1 4.117 0.009 . 1 . . . . A 25 THR HB . 34958 1 239 . 1 . 1 25 25 THR HG21 H 1 1.030 0.004 . 1 . . . . A 25 THR HG21 . 34958 1 240 . 1 . 1 25 25 THR HG22 H 1 1.030 0.004 . 1 . . . . A 25 THR HG22 . 34958 1 241 . 1 . 1 25 25 THR HG23 H 1 1.030 0.004 . 1 . . . . A 25 THR HG23 . 34958 1 242 . 1 . 1 25 25 THR CA C 13 61.597 0.067 . 1 . . . . A 25 THR CA . 34958 1 243 . 1 . 1 25 25 THR CB C 13 72.347 0.038 . 1 . . . . A 25 THR CB . 34958 1 244 . 1 . 1 25 25 THR CG2 C 13 21.392 0.031 . 1 . . . . A 25 THR CG2 . 34958 1 245 . 1 . 1 25 25 THR N N 15 109.012 0.044 . 1 . . . . A 25 THR N . 34958 1 246 . 1 . 1 26 26 ASN H H 1 7.598 0.004 . 1 . . . . A 26 ASN H . 34958 1 247 . 1 . 1 26 26 ASN HA H 1 4.497 0.007 . 1 . . . . A 26 ASN HA . 34958 1 248 . 1 . 1 26 26 ASN HB2 H 1 2.029 0.008 . 2 . . . . A 26 ASN HB2 . 34958 1 249 . 1 . 1 26 26 ASN HB3 H 1 3.291 0.009 . 2 . . . . A 26 ASN HB3 . 34958 1 250 . 1 . 1 26 26 ASN HD21 H 1 7.221 0.004 . 1 . . . . A 26 ASN HD21 . 34958 1 251 . 1 . 1 26 26 ASN HD22 H 1 6.284 0.006 . 1 . . . . A 26 ASN HD22 . 34958 1 252 . 1 . 1 26 26 ASN CA C 13 53.344 0.055 . 1 . . . . A 26 ASN CA . 34958 1 253 . 1 . 1 26 26 ASN CB C 13 37.391 0.065 . 1 . . . . A 26 ASN CB . 34958 1 254 . 1 . 1 26 26 ASN N N 15 118.211 0.032 . 1 . . . . A 26 ASN N . 34958 1 255 . 1 . 1 26 26 ASN ND2 N 15 107.192 0.061 . 1 . . . . A 26 ASN ND2 . 34958 1 256 . 1 . 1 27 27 LYS H H 1 6.930 0.006 . 1 . . . . A 27 LYS H . 34958 1 257 . 1 . 1 27 27 LYS HA H 1 4.332 0.012 . 1 . . . . A 27 LYS HA . 34958 1 258 . 1 . 1 27 27 LYS HB2 H 1 1.457 0.006 . 2 . . . . A 27 LYS HB2 . 34958 1 259 . 1 . 1 27 27 LYS HB3 H 1 1.288 0.010 . 2 . . . . A 27 LYS HB3 . 34958 1 260 . 1 . 1 27 27 LYS HG2 H 1 1.141 0.006 . 1 . . . . A 27 LYS HG2 . 34958 1 261 . 1 . 1 27 27 LYS HD2 H 1 1.489 0.015 . 2 . . . . A 27 LYS HD2 . 34958 1 262 . 1 . 1 27 27 LYS HD3 H 1 1.453 0.010 . 2 . . . . A 27 LYS HD3 . 34958 1 263 . 1 . 1 27 27 LYS HE2 H 1 2.830 0.013 . 1 . . . . A 27 LYS HE2 . 34958 1 264 . 1 . 1 27 27 LYS CA C 13 54.850 0.061 . 1 . . . . A 27 LYS CA . 34958 1 265 . 1 . 1 27 27 LYS CB C 13 35.505 0.072 . 1 . . . . A 27 LYS CB . 34958 1 266 . 1 . 1 27 27 LYS CG C 13 24.602 0.024 . 1 . . . . A 27 LYS CG . 34958 1 267 . 1 . 1 27 27 LYS CD C 13 28.939 0.094 . 1 . . . . A 27 LYS CD . 34958 1 268 . 1 . 1 27 27 LYS CE C 13 42.274 0.011 . 1 . . . . A 27 LYS CE . 34958 1 269 . 1 . 1 27 27 LYS N N 15 116.292 0.038 . 1 . . . . A 27 LYS N . 34958 1 270 . 1 . 1 28 28 PHE HB2 H 1 2.877 0.005 . 1 . . . . A 28 PHE HB2 . 34958 1 271 . 1 . 1 28 28 PHE HD1 H 1 6.780 0.005 . 1 . . . . A 28 PHE HD1 . 34958 1 272 . 1 . 1 28 28 PHE HD2 H 1 6.780 0.005 . 1 . . . . A 28 PHE HD2 . 34958 1 273 . 1 . 1 28 28 PHE HE1 H 1 6.544 0.007 . 1 . . . . A 28 PHE HE1 . 34958 1 274 . 1 . 1 28 28 PHE HE2 H 1 6.544 0.007 . 1 . . . . A 28 PHE HE2 . 34958 1 275 . 1 . 1 28 28 PHE HZ H 1 6.671 0.000 . 1 . . . . A 28 PHE HZ . 34958 1 276 . 1 . 1 28 28 PHE CD1 C 13 131.848 0.072 . 1 . . . . A 28 PHE CD1 . 34958 1 277 . 1 . 1 28 28 PHE CD2 C 13 131.848 0.072 . 1 . . . . A 28 PHE CD2 . 34958 1 278 . 1 . 1 28 28 PHE CE1 C 13 130.378 0.026 . 1 . . . . A 28 PHE CE1 . 34958 1 279 . 1 . 1 28 28 PHE CE2 C 13 130.378 0.026 . 1 . . . . A 28 PHE CE2 . 34958 1 280 . 1 . 1 29 29 PRO HA H 1 4.200 0.006 . 1 . . . . A 29 PRO HA . 34958 1 281 . 1 . 1 29 29 PRO HB2 H 1 1.636 0.015 . 2 . . . . A 29 PRO HB2 . 34958 1 282 . 1 . 1 29 29 PRO HB3 H 1 2.020 0.007 . 2 . . . . A 29 PRO HB3 . 34958 1 283 . 1 . 1 29 29 PRO HG2 H 1 1.750 0.000 . 1 . . . . A 29 PRO HG2 . 34958 1 284 . 1 . 1 29 29 PRO HD2 H 1 3.362 0.000 . 1 . . . . A 29 PRO HD2 . 34958 1 285 . 1 . 1 29 29 PRO CA C 13 62.594 0.051 . 1 . . . . A 29 PRO CA . 34958 1 286 . 1 . 1 29 29 PRO CB C 13 31.144 0.074 . 1 . . . . A 29 PRO CB . 34958 1 287 . 1 . 1 30 30 SER H H 1 8.171 0.007 . 1 . . . . A 30 SER H . 34958 1 288 . 1 . 1 30 30 SER HA H 1 4.105 0.007 . 1 . . . . A 30 SER HA . 34958 1 289 . 1 . 1 30 30 SER HB2 H 1 3.774 0.011 . 2 . . . . A 30 SER HB2 . 34958 1 290 . 1 . 1 30 30 SER HB3 H 1 3.881 0.003 . 2 . . . . A 30 SER HB3 . 34958 1 291 . 1 . 1 30 30 SER CA C 13 59.515 0.040 . 1 . . . . A 30 SER CA . 34958 1 292 . 1 . 1 30 30 SER CB C 13 63.886 0.041 . 1 . . . . A 30 SER CB . 34958 1 293 . 1 . 1 30 30 SER N N 15 117.658 0.033 . 1 . . . . A 30 SER N . 34958 1 294 . 1 . 1 31 31 GLU H H 1 7.667 0.011 . 1 . . . . A 31 GLU H . 34958 1 295 . 1 . 1 31 31 GLU HA H 1 4.371 0.006 . 1 . . . . A 31 GLU HA . 34958 1 296 . 1 . 1 31 31 GLU HB2 H 1 1.743 0.006 . 2 . . . . A 31 GLU HB2 . 34958 1 297 . 1 . 1 31 31 GLU HB3 H 1 1.850 0.004 . 2 . . . . A 31 GLU HB3 . 34958 1 298 . 1 . 1 31 31 GLU HG2 H 1 2.029 0.007 . 1 . . . . A 31 GLU HG2 . 34958 1 299 . 1 . 1 31 31 GLU CA C 13 55.298 0.068 . 1 . . . . A 31 GLU CA . 34958 1 300 . 1 . 1 31 31 GLU CB C 13 31.438 0.054 . 1 . . . . A 31 GLU CB . 34958 1 301 . 1 . 1 31 31 GLU CG C 13 35.719 0.040 . 1 . . . . A 31 GLU CG . 34958 1 302 . 1 . 1 31 31 GLU N N 15 119.873 0.027 . 1 . . . . A 31 GLU N . 34958 1 303 . 1 . 1 32 32 TYR HD1 H 1 7.043 0.003 . 1 . . . . A 32 TYR HD1 . 34958 1 304 . 1 . 1 32 32 TYR HD2 H 1 7.043 0.003 . 1 . . . . A 32 TYR HD2 . 34958 1 305 . 1 . 1 32 32 TYR HE1 H 1 6.788 0.004 . 1 . . . . A 32 TYR HE1 . 34958 1 306 . 1 . 1 32 32 TYR HE2 H 1 6.788 0.004 . 1 . . . . A 32 TYR HE2 . 34958 1 307 . 1 . 1 32 32 TYR CD1 C 13 133.156 0.072 . 1 . . . . A 32 TYR CD1 . 34958 1 308 . 1 . 1 32 32 TYR CD2 C 13 133.156 0.072 . 1 . . . . A 32 TYR CD2 . 34958 1 309 . 1 . 1 32 32 TYR CE1 C 13 118.179 0.021 . 1 . . . . A 32 TYR CE1 . 34958 1 310 . 1 . 1 32 32 TYR CE2 C 13 118.179 0.021 . 1 . . . . A 32 TYR CE2 . 34958 1 311 . 1 . 1 33 33 VAL HA H 1 4.106 0.005 . 1 . . . . A 33 VAL HA . 34958 1 312 . 1 . 1 33 33 VAL HB H 1 1.825 0.012 . 1 . . . . A 33 VAL HB . 34958 1 313 . 1 . 1 33 33 VAL HG11 H 1 0.707 0.014 . 2 . . . . A 33 VAL HG11 . 34958 1 314 . 1 . 1 33 33 VAL HG12 H 1 0.707 0.014 . 2 . . . . A 33 VAL HG12 . 34958 1 315 . 1 . 1 33 33 VAL HG13 H 1 0.707 0.014 . 2 . . . . A 33 VAL HG13 . 34958 1 316 . 1 . 1 33 33 VAL HG21 H 1 0.735 0.013 . 2 . . . . A 33 VAL HG21 . 34958 1 317 . 1 . 1 33 33 VAL HG22 H 1 0.735 0.013 . 2 . . . . A 33 VAL HG22 . 34958 1 318 . 1 . 1 33 33 VAL HG23 H 1 0.735 0.013 . 2 . . . . A 33 VAL HG23 . 34958 1 319 . 1 . 1 33 33 VAL CA C 13 59.314 0.028 . 1 . . . . A 33 VAL CA . 34958 1 320 . 1 . 1 33 33 VAL CB C 13 33.484 0.031 . 1 . . . . A 33 VAL CB . 34958 1 321 . 1 . 1 33 33 VAL CG1 C 13 20.667 0.005 . 2 . . . . A 33 VAL CG1 . 34958 1 322 . 1 . 1 33 33 VAL CG2 C 13 20.489 0.026 . 2 . . . . A 33 VAL CG2 . 34958 1 323 . 1 . 1 34 34 PRO HD2 H 1 3.370 0.008 . 1 . . . . A 34 PRO HD2 . 34958 1 324 . 1 . 1 34 34 PRO CA C 13 65.782 0.000 . 1 . . . . A 34 PRO CA . 34958 1 325 . 1 . 1 34 34 PRO CD C 13 51.518 0.036 . 1 . . . . A 34 PRO CD . 34958 1 326 . 1 . 1 35 35 THR H H 1 8.852 0.002 . 1 . . . . A 35 THR H . 34958 1 327 . 1 . 1 35 35 THR CA C 13 63.909 0.000 . 1 . . . . A 35 THR CA . 34958 1 328 . 1 . 1 35 35 THR N N 15 113.635 0.035 . 1 . . . . A 35 THR N . 34958 1 329 . 1 . 1 36 36 VAL HB H 1 1.618 0.003 . 1 . . . . A 36 VAL HB . 34958 1 330 . 1 . 1 36 36 VAL HG11 H 1 0.507 0.008 . 2 . . . . A 36 VAL HG11 . 34958 1 331 . 1 . 1 36 36 VAL HG12 H 1 0.507 0.008 . 2 . . . . A 36 VAL HG12 . 34958 1 332 . 1 . 1 36 36 VAL HG13 H 1 0.507 0.008 . 2 . . . . A 36 VAL HG13 . 34958 1 333 . 1 . 1 36 36 VAL HG21 H 1 0.500 0.009 . 2 . . . . A 36 VAL HG21 . 34958 1 334 . 1 . 1 36 36 VAL HG22 H 1 0.500 0.009 . 2 . . . . A 36 VAL HG22 . 34958 1 335 . 1 . 1 36 36 VAL HG23 H 1 0.500 0.009 . 2 . . . . A 36 VAL HG23 . 34958 1 336 . 1 . 1 36 36 VAL CB C 13 31.540 0.002 . 1 . . . . A 36 VAL CB . 34958 1 337 . 1 . 1 36 36 VAL CG1 C 13 20.351 0.008 . 2 . . . . A 36 VAL CG1 . 34958 1 338 . 1 . 1 36 36 VAL CG2 C 13 21.291 0.032 . 2 . . . . A 36 VAL CG2 . 34958 1 339 . 1 . 1 40 40 TYR HD1 H 1 6.404 0.024 . 1 . . . . A 40 TYR HD1 . 34958 1 340 . 1 . 1 40 40 TYR HD2 H 1 6.404 0.024 . 1 . . . . A 40 TYR HD2 . 34958 1 341 . 1 . 1 40 40 TYR HE1 H 1 6.238 0.012 . 1 . . . . A 40 TYR HE1 . 34958 1 342 . 1 . 1 40 40 TYR HE2 H 1 6.238 0.012 . 1 . . . . A 40 TYR HE2 . 34958 1 343 . 1 . 1 40 40 TYR CE1 C 13 117.302 0.000 . 1 . . . . A 40 TYR CE1 . 34958 1 344 . 1 . 1 40 40 TYR CE2 C 13 117.302 0.000 . 1 . . . . A 40 TYR CE2 . 34958 1 345 . 1 . 1 41 41 ALA H H 1 8.587 0.000 . 1 . . . . A 41 ALA H . 34958 1 346 . 1 . 1 41 41 ALA HA H 1 5.473 0.006 . 1 . . . . A 41 ALA HA . 34958 1 347 . 1 . 1 41 41 ALA HB1 H 1 1.155 0.005 . 1 . . . . A 41 ALA HB1 . 34958 1 348 . 1 . 1 41 41 ALA HB2 H 1 1.155 0.005 . 1 . . . . A 41 ALA HB2 . 34958 1 349 . 1 . 1 41 41 ALA HB3 H 1 1.155 0.005 . 1 . . . . A 41 ALA HB3 . 34958 1 350 . 1 . 1 41 41 ALA CA C 13 52.108 0.078 . 1 . . . . A 41 ALA CA . 34958 1 351 . 1 . 1 41 41 ALA CB C 13 21.536 0.075 . 1 . . . . A 41 ALA CB . 34958 1 352 . 1 . 1 42 42 VAL H H 1 8.359 0.009 . 1 . . . . A 42 VAL H . 34958 1 353 . 1 . 1 42 42 VAL HA H 1 4.502 0.009 . 1 . . . . A 42 VAL HA . 34958 1 354 . 1 . 1 42 42 VAL HB H 1 1.899 0.010 . 1 . . . . A 42 VAL HB . 34958 1 355 . 1 . 1 42 42 VAL HG11 H 1 0.123 0.007 . 2 . . . . A 42 VAL HG11 . 34958 1 356 . 1 . 1 42 42 VAL HG12 H 1 0.123 0.007 . 2 . . . . A 42 VAL HG12 . 34958 1 357 . 1 . 1 42 42 VAL HG13 H 1 0.123 0.007 . 2 . . . . A 42 VAL HG13 . 34958 1 358 . 1 . 1 42 42 VAL HG21 H 1 0.771 0.007 . 2 . . . . A 42 VAL HG21 . 34958 1 359 . 1 . 1 42 42 VAL HG22 H 1 0.771 0.007 . 2 . . . . A 42 VAL HG22 . 34958 1 360 . 1 . 1 42 42 VAL HG23 H 1 0.771 0.007 . 2 . . . . A 42 VAL HG23 . 34958 1 361 . 1 . 1 42 42 VAL CA C 13 59.082 0.043 . 1 . . . . A 42 VAL CA . 34958 1 362 . 1 . 1 42 42 VAL CB C 13 35.556 0.037 . 1 . . . . A 42 VAL CB . 34958 1 363 . 1 . 1 42 42 VAL CG1 C 13 21.844 0.041 . 2 . . . . A 42 VAL CG1 . 34958 1 364 . 1 . 1 42 42 VAL CG2 C 13 19.341 0.065 . 2 . . . . A 42 VAL CG2 . 34958 1 365 . 1 . 1 42 42 VAL N N 15 114.173 0.106 . 1 . . . . A 42 VAL N . 34958 1 366 . 1 . 1 43 43 THR H H 1 8.342 0.008 . 1 . . . . A 43 THR H . 34958 1 367 . 1 . 1 43 43 THR HA H 1 5.139 0.007 . 1 . . . . A 43 THR HA . 34958 1 368 . 1 . 1 43 43 THR HB H 1 3.793 0.007 . 1 . . . . A 43 THR HB . 34958 1 369 . 1 . 1 43 43 THR HG21 H 1 1.102 0.008 . 1 . . . . A 43 THR HG21 . 34958 1 370 . 1 . 1 43 43 THR HG22 H 1 1.102 0.008 . 1 . . . . A 43 THR HG22 . 34958 1 371 . 1 . 1 43 43 THR HG23 H 1 1.102 0.008 . 1 . . . . A 43 THR HG23 . 34958 1 372 . 1 . 1 43 43 THR CA C 13 62.400 0.026 . 1 . . . . A 43 THR CA . 34958 1 373 . 1 . 1 43 43 THR CB C 13 69.783 0.048 . 1 . . . . A 43 THR CB . 34958 1 374 . 1 . 1 43 43 THR CG2 C 13 21.896 0.053 . 1 . . . . A 43 THR CG2 . 34958 1 375 . 1 . 1 43 43 THR N N 15 118.347 0.054 . 1 . . . . A 43 THR N . 34958 1 376 . 1 . 1 44 44 VAL H H 1 9.053 0.007 . 1 . . . . A 44 VAL H . 34958 1 377 . 1 . 1 44 44 VAL HA H 1 4.818 0.007 . 1 . . . . A 44 VAL HA . 34958 1 378 . 1 . 1 44 44 VAL HB H 1 1.685 0.004 . 1 . . . . A 44 VAL HB . 34958 1 379 . 1 . 1 44 44 VAL HG11 H 1 0.767 0.006 . 2 . . . . A 44 VAL HG11 . 34958 1 380 . 1 . 1 44 44 VAL HG12 H 1 0.767 0.006 . 2 . . . . A 44 VAL HG12 . 34958 1 381 . 1 . 1 44 44 VAL HG13 H 1 0.767 0.006 . 2 . . . . A 44 VAL HG13 . 34958 1 382 . 1 . 1 44 44 VAL HG21 H 1 0.754 0.010 . 2 . . . . A 44 VAL HG21 . 34958 1 383 . 1 . 1 44 44 VAL HG22 H 1 0.754 0.010 . 2 . . . . A 44 VAL HG22 . 34958 1 384 . 1 . 1 44 44 VAL HG23 H 1 0.754 0.010 . 2 . . . . A 44 VAL HG23 . 34958 1 385 . 1 . 1 44 44 VAL CA C 13 59.214 0.054 . 1 . . . . A 44 VAL CA . 34958 1 386 . 1 . 1 44 44 VAL CB C 13 34.883 0.066 . 1 . . . . A 44 VAL CB . 34958 1 387 . 1 . 1 44 44 VAL CG1 C 13 20.196 0.065 . 2 . . . . A 44 VAL CG1 . 34958 1 388 . 1 . 1 44 44 VAL CG2 C 13 22.546 0.084 . 2 . . . . A 44 VAL CG2 . 34958 1 389 . 1 . 1 44 44 VAL N N 15 120.865 0.036 . 1 . . . . A 44 VAL N . 34958 1 390 . 1 . 1 45 45 MET H H 1 8.746 0.008 . 1 . . . . A 45 MET H . 34958 1 391 . 1 . 1 45 45 MET HA H 1 5.142 0.010 . 1 . . . . A 45 MET HA . 34958 1 392 . 1 . 1 45 45 MET HB2 H 1 1.679 0.002 . 2 . . . . A 45 MET HB2 . 34958 1 393 . 1 . 1 45 45 MET HB3 H 1 1.569 0.010 . 2 . . . . A 45 MET HB3 . 34958 1 394 . 1 . 1 45 45 MET HG2 H 1 2.332 0.008 . 2 . . . . A 45 MET HG2 . 34958 1 395 . 1 . 1 45 45 MET HG3 H 1 2.206 0.006 . 2 . . . . A 45 MET HG3 . 34958 1 396 . 1 . 1 45 45 MET HE1 H 1 1.804 0.005 . 1 . . . . A 45 MET HE1 . 34958 1 397 . 1 . 1 45 45 MET HE2 H 1 1.804 0.005 . 1 . . . . A 45 MET HE2 . 34958 1 398 . 1 . 1 45 45 MET HE3 H 1 1.804 0.005 . 1 . . . . A 45 MET HE3 . 34958 1 399 . 1 . 1 45 45 MET CA C 13 52.852 0.077 . 1 . . . . A 45 MET CA . 34958 1 400 . 1 . 1 45 45 MET CB C 13 33.688 0.128 . 1 . . . . A 45 MET CB . 34958 1 401 . 1 . 1 45 45 MET CG C 13 31.882 0.067 . 1 . . . . A 45 MET CG . 34958 1 402 . 1 . 1 45 45 MET CE C 13 16.854 0.075 . 1 . . . . A 45 MET CE . 34958 1 403 . 1 . 1 45 45 MET N N 15 121.348 0.079 . 1 . . . . A 45 MET N . 34958 1 404 . 1 . 1 46 46 ILE H H 1 9.338 0.007 . 1 . . . . A 46 ILE H . 34958 1 405 . 1 . 1 46 46 ILE HA H 1 4.890 0.014 . 1 . . . . A 46 ILE HA . 34958 1 406 . 1 . 1 46 46 ILE HB H 1 1.678 0.012 . 1 . . . . A 46 ILE HB . 34958 1 407 . 1 . 1 46 46 ILE HG12 H 1 1.019 0.009 . 2 . . . . A 46 ILE HG12 . 34958 1 408 . 1 . 1 46 46 ILE HG13 H 1 0.563 0.011 . 2 . . . . A 46 ILE HG13 . 34958 1 409 . 1 . 1 46 46 ILE HG21 H 1 0.401 0.008 . 1 . . . . A 46 ILE HG21 . 34958 1 410 . 1 . 1 46 46 ILE HG22 H 1 0.401 0.008 . 1 . . . . A 46 ILE HG22 . 34958 1 411 . 1 . 1 46 46 ILE HG23 H 1 0.401 0.008 . 1 . . . . A 46 ILE HG23 . 34958 1 412 . 1 . 1 46 46 ILE HD11 H 1 -0.052 0.006 . 1 . . . . A 46 ILE HD11 . 34958 1 413 . 1 . 1 46 46 ILE HD12 H 1 -0.052 0.006 . 1 . . . . A 46 ILE HD12 . 34958 1 414 . 1 . 1 46 46 ILE HD13 H 1 -0.052 0.006 . 1 . . . . A 46 ILE HD13 . 34958 1 415 . 1 . 1 46 46 ILE CA C 13 59.759 0.054 . 1 . . . . A 46 ILE CA . 34958 1 416 . 1 . 1 46 46 ILE CB C 13 37.881 0.098 . 1 . . . . A 46 ILE CB . 34958 1 417 . 1 . 1 46 46 ILE CG1 C 13 26.956 0.033 . 1 . . . . A 46 ILE CG1 . 34958 1 418 . 1 . 1 46 46 ILE CG2 C 13 16.996 0.049 . 1 . . . . A 46 ILE CG2 . 34958 1 419 . 1 . 1 46 46 ILE CD1 C 13 13.392 0.033 . 1 . . . . A 46 ILE CD1 . 34958 1 420 . 1 . 1 46 46 ILE N N 15 127.513 0.049 . 1 . . . . A 46 ILE N . 34958 1 421 . 1 . 1 47 47 GLY H H 1 9.603 0.016 . 1 . . . . A 47 GLY H . 34958 1 422 . 1 . 1 47 47 GLY HA2 H 1 3.841 0.011 . 2 . . . . A 47 GLY HA2 . 34958 1 423 . 1 . 1 47 47 GLY HA3 H 1 4.069 0.024 . 2 . . . . A 47 GLY HA3 . 34958 1 424 . 1 . 1 47 47 GLY CA C 13 47.385 0.067 . 1 . . . . A 47 GLY CA . 34958 1 425 . 1 . 1 47 47 GLY N N 15 119.864 0.060 . 1 . . . . A 47 GLY N . 34958 1 426 . 1 . 1 48 48 GLY H H 1 8.466 0.006 . 1 . . . . A 48 GLY H . 34958 1 427 . 1 . 1 48 48 GLY HA2 H 1 4.081 0.017 . 2 . . . . A 48 GLY HA2 . 34958 1 428 . 1 . 1 48 48 GLY HA3 H 1 3.449 0.011 . 2 . . . . A 48 GLY HA3 . 34958 1 429 . 1 . 1 48 48 GLY CA C 13 45.025 0.041 . 1 . . . . A 48 GLY CA . 34958 1 430 . 1 . 1 48 48 GLY N N 15 103.534 0.026 . 1 . . . . A 48 GLY N . 34958 1 431 . 1 . 1 49 49 GLU H H 1 7.595 0.009 . 1 . . . . A 49 GLU H . 34958 1 432 . 1 . 1 49 49 GLU HA H 1 4.914 0.007 . 1 . . . . A 49 GLU HA . 34958 1 433 . 1 . 1 49 49 GLU HB2 H 1 2.093 0.011 . 2 . . . . A 49 GLU HB2 . 34958 1 434 . 1 . 1 49 49 GLU HB3 H 1 2.028 0.007 . 2 . . . . A 49 GLU HB3 . 34958 1 435 . 1 . 1 49 49 GLU HG2 H 1 2.260 0.006 . 2 . . . . A 49 GLU HG2 . 34958 1 436 . 1 . 1 49 49 GLU HG3 H 1 2.131 0.007 . 2 . . . . A 49 GLU HG3 . 34958 1 437 . 1 . 1 49 49 GLU CA C 13 52.547 0.095 . 1 . . . . A 49 GLU CA . 34958 1 438 . 1 . 1 49 49 GLU CB C 13 31.867 0.047 . 1 . . . . A 49 GLU CB . 34958 1 439 . 1 . 1 49 49 GLU CG C 13 35.515 0.066 . 1 . . . . A 49 GLU CG . 34958 1 440 . 1 . 1 49 49 GLU N N 15 120.401 0.050 . 1 . . . . A 49 GLU N . 34958 1 441 . 1 . 1 50 50 PRO HA H 1 4.938 0.005 . 1 . . . . A 50 PRO HA . 34958 1 442 . 1 . 1 50 50 PRO HB2 H 1 1.832 0.000 . 1 . . . . A 50 PRO HB2 . 34958 1 443 . 1 . 1 50 50 PRO HG2 H 1 1.959 0.002 . 1 . . . . A 50 PRO HG2 . 34958 1 444 . 1 . 1 50 50 PRO HD2 H 1 3.647 0.010 . 2 . . . . A 50 PRO HD2 . 34958 1 445 . 1 . 1 50 50 PRO HD3 H 1 3.807 0.020 . 2 . . . . A 50 PRO HD3 . 34958 1 446 . 1 . 1 50 50 PRO CA C 13 63.334 0.054 . 1 . . . . A 50 PRO CA . 34958 1 447 . 1 . 1 50 50 PRO CB C 13 31.881 0.002 . 1 . . . . A 50 PRO CB . 34958 1 448 . 1 . 1 50 50 PRO CG C 13 27.539 0.001 . 1 . . . . A 50 PRO CG . 34958 1 449 . 1 . 1 50 50 PRO CD C 13 50.603 0.024 . 1 . . . . A 50 PRO CD . 34958 1 450 . 1 . 1 51 51 TYR H H 1 9.396 0.015 . 1 . . . . A 51 TYR H . 34958 1 451 . 1 . 1 51 51 TYR HA H 1 4.915 0.024 . 1 . . . . A 51 TYR HA . 34958 1 452 . 1 . 1 51 51 TYR HB2 H 1 2.879 0.012 . 1 . . . . A 51 TYR HB2 . 34958 1 453 . 1 . 1 51 51 TYR HD1 H 1 6.921 0.007 . 1 . . . . A 51 TYR HD1 . 34958 1 454 . 1 . 1 51 51 TYR HD2 H 1 6.921 0.007 . 1 . . . . A 51 TYR HD2 . 34958 1 455 . 1 . 1 51 51 TYR HE1 H 1 6.594 0.013 . 1 . . . . A 51 TYR HE1 . 34958 1 456 . 1 . 1 51 51 TYR HE2 H 1 6.594 0.013 . 1 . . . . A 51 TYR HE2 . 34958 1 457 . 1 . 1 51 51 TYR CA C 13 56.230 0.002 . 1 . . . . A 51 TYR CA . 34958 1 458 . 1 . 1 51 51 TYR CB C 13 41.880 0.046 . 1 . . . . A 51 TYR CB . 34958 1 459 . 1 . 1 51 51 TYR CD1 C 13 132.887 0.076 . 1 . . . . A 51 TYR CD1 . 34958 1 460 . 1 . 1 51 51 TYR CD2 C 13 132.887 0.076 . 1 . . . . A 51 TYR CD2 . 34958 1 461 . 1 . 1 51 51 TYR CE1 C 13 118.024 0.067 . 1 . . . . A 51 TYR CE1 . 34958 1 462 . 1 . 1 51 51 TYR CE2 C 13 118.024 0.067 . 1 . . . . A 51 TYR CE2 . 34958 1 463 . 1 . 1 51 51 TYR N N 15 124.017 0.052 . 1 . . . . A 51 TYR N . 34958 1 464 . 1 . 1 52 52 THR H H 1 8.653 0.011 . 1 . . . . A 52 THR H . 34958 1 465 . 1 . 1 52 52 THR HA H 1 4.730 0.010 . 1 . . . . A 52 THR HA . 34958 1 466 . 1 . 1 52 52 THR HB H 1 4.015 0.012 . 1 . . . . A 52 THR HB . 34958 1 467 . 1 . 1 52 52 THR HG21 H 1 1.069 0.010 . 1 . . . . A 52 THR HG21 . 34958 1 468 . 1 . 1 52 52 THR HG22 H 1 1.069 0.010 . 1 . . . . A 52 THR HG22 . 34958 1 469 . 1 . 1 52 52 THR HG23 H 1 1.069 0.010 . 1 . . . . A 52 THR HG23 . 34958 1 470 . 1 . 1 52 52 THR CA C 13 62.565 0.052 . 1 . . . . A 52 THR CA . 34958 1 471 . 1 . 1 52 52 THR CB C 13 69.867 0.039 . 1 . . . . A 52 THR CB . 34958 1 472 . 1 . 1 52 52 THR CG2 C 13 21.797 0.039 . 1 . . . . A 52 THR CG2 . 34958 1 473 . 1 . 1 52 52 THR N N 15 116.794 0.055 . 1 . . . . A 52 THR N . 34958 1 474 . 1 . 1 53 53 LEU H H 1 9.347 0.011 . 1 . . . . A 53 LEU H . 34958 1 475 . 1 . 1 53 53 LEU HA H 1 5.025 0.013 . 1 . . . . A 53 LEU HA . 34958 1 476 . 1 . 1 53 53 LEU HB2 H 1 2.126 0.012 . 2 . . . . A 53 LEU HB2 . 34958 1 477 . 1 . 1 53 53 LEU HB3 H 1 0.993 0.012 . 2 . . . . A 53 LEU HB3 . 34958 1 478 . 1 . 1 53 53 LEU HG H 1 1.419 0.012 . 1 . . . . A 53 LEU HG . 34958 1 479 . 1 . 1 53 53 LEU HD11 H 1 1.003 0.006 . 2 . . . . A 53 LEU HD11 . 34958 1 480 . 1 . 1 53 53 LEU HD12 H 1 1.003 0.006 . 2 . . . . A 53 LEU HD12 . 34958 1 481 . 1 . 1 53 53 LEU HD13 H 1 1.003 0.006 . 2 . . . . A 53 LEU HD13 . 34958 1 482 . 1 . 1 53 53 LEU HD21 H 1 0.774 0.005 . 2 . . . . A 53 LEU HD21 . 34958 1 483 . 1 . 1 53 53 LEU HD22 H 1 0.774 0.005 . 2 . . . . A 53 LEU HD22 . 34958 1 484 . 1 . 1 53 53 LEU HD23 H 1 0.774 0.005 . 2 . . . . A 53 LEU HD23 . 34958 1 485 . 1 . 1 53 53 LEU CA C 13 53.607 0.074 . 1 . . . . A 53 LEU CA . 34958 1 486 . 1 . 1 53 53 LEU CB C 13 43.192 0.011 . 1 . . . . A 53 LEU CB . 34958 1 487 . 1 . 1 53 53 LEU CG C 13 27.336 0.048 . 1 . . . . A 53 LEU CG . 34958 1 488 . 1 . 1 53 53 LEU CD1 C 13 27.031 0.061 . 2 . . . . A 53 LEU CD1 . 34958 1 489 . 1 . 1 53 53 LEU CD2 C 13 23.670 0.049 . 2 . . . . A 53 LEU CD2 . 34958 1 490 . 1 . 1 53 53 LEU N N 15 131.749 0.061 . 1 . . . . A 53 LEU N . 34958 1 491 . 1 . 1 54 54 GLY H H 1 9.609 0.008 . 1 . . . . A 54 GLY H . 34958 1 492 . 1 . 1 54 54 GLY HA2 H 1 3.648 0.005 . 1 . . . . A 54 GLY HA2 . 34958 1 493 . 1 . 1 54 54 GLY CA C 13 45.001 0.039 . 1 . . . . A 54 GLY CA . 34958 1 494 . 1 . 1 54 54 GLY N N 15 115.915 0.037 . 1 . . . . A 54 GLY N . 34958 1 495 . 1 . 1 55 55 LEU H H 1 8.803 0.008 . 1 . . . . A 55 LEU H . 34958 1 496 . 1 . 1 55 55 LEU HA H 1 5.248 0.009 . 1 . . . . A 55 LEU HA . 34958 1 497 . 1 . 1 55 55 LEU HB2 H 1 1.390 0.008 . 2 . . . . A 55 LEU HB2 . 34958 1 498 . 1 . 1 55 55 LEU HB3 H 1 1.844 0.013 . 2 . . . . A 55 LEU HB3 . 34958 1 499 . 1 . 1 55 55 LEU HG H 1 1.643 0.006 . 1 . . . . A 55 LEU HG . 34958 1 500 . 1 . 1 55 55 LEU HD11 H 1 0.894 0.007 . 2 . . . . A 55 LEU HD11 . 34958 1 501 . 1 . 1 55 55 LEU HD12 H 1 0.894 0.007 . 2 . . . . A 55 LEU HD12 . 34958 1 502 . 1 . 1 55 55 LEU HD13 H 1 0.894 0.007 . 2 . . . . A 55 LEU HD13 . 34958 1 503 . 1 . 1 55 55 LEU HD21 H 1 0.822 0.011 . 2 . . . . A 55 LEU HD21 . 34958 1 504 . 1 . 1 55 55 LEU HD22 H 1 0.822 0.011 . 2 . . . . A 55 LEU HD22 . 34958 1 505 . 1 . 1 55 55 LEU HD23 H 1 0.822 0.011 . 2 . . . . A 55 LEU HD23 . 34958 1 506 . 1 . 1 55 55 LEU CA C 13 53.273 0.050 . 1 . . . . A 55 LEU CA . 34958 1 507 . 1 . 1 55 55 LEU CB C 13 44.167 0.041 . 1 . . . . A 55 LEU CB . 34958 1 508 . 1 . 1 55 55 LEU CG C 13 26.364 0.045 . 1 . . . . A 55 LEU CG . 34958 1 509 . 1 . 1 55 55 LEU CD1 C 13 24.328 0.043 . 2 . . . . A 55 LEU CD1 . 34958 1 510 . 1 . 1 55 55 LEU CD2 C 13 26.332 0.084 . 2 . . . . A 55 LEU CD2 . 34958 1 511 . 1 . 1 55 55 LEU N N 15 125.816 0.057 . 1 . . . . A 55 LEU N . 34958 1 512 . 1 . 1 61 61 LEU H H 1 7.939 0.011 . 1 . . . . A 61 LEU H . 34958 1 513 . 1 . 1 61 61 LEU HA H 1 4.413 0.009 . 1 . . . . A 61 LEU HA . 34958 1 514 . 1 . 1 61 61 LEU HB2 H 1 1.972 0.010 . 2 . . . . A 61 LEU HB2 . 34958 1 515 . 1 . 1 61 61 LEU HB3 H 1 1.709 0.010 . 2 . . . . A 61 LEU HB3 . 34958 1 516 . 1 . 1 61 61 LEU HG H 1 1.983 0.012 . 1 . . . . A 61 LEU HG . 34958 1 517 . 1 . 1 61 61 LEU HD11 H 1 1.001 0.012 . 2 . . . . A 61 LEU HD11 . 34958 1 518 . 1 . 1 61 61 LEU HD12 H 1 1.001 0.012 . 2 . . . . A 61 LEU HD12 . 34958 1 519 . 1 . 1 61 61 LEU HD13 H 1 1.001 0.012 . 2 . . . . A 61 LEU HD13 . 34958 1 520 . 1 . 1 61 61 LEU HD21 H 1 1.024 0.013 . 2 . . . . A 61 LEU HD21 . 34958 1 521 . 1 . 1 61 61 LEU HD22 H 1 1.024 0.013 . 2 . . . . A 61 LEU HD22 . 34958 1 522 . 1 . 1 61 61 LEU HD23 H 1 1.024 0.013 . 2 . . . . A 61 LEU HD23 . 34958 1 523 . 1 . 1 61 61 LEU CA C 13 55.689 0.073 . 1 . . . . A 61 LEU CA . 34958 1 524 . 1 . 1 61 61 LEU CB C 13 42.727 0.024 . 1 . . . . A 61 LEU CB . 34958 1 525 . 1 . 1 61 61 LEU CG C 13 27.733 0.018 . 1 . . . . A 61 LEU CG . 34958 1 526 . 1 . 1 61 61 LEU CD1 C 13 23.331 0.025 . 2 . . . . A 61 LEU CD1 . 34958 1 527 . 1 . 1 61 61 LEU CD2 C 13 25.146 0.033 . 2 . . . . A 61 LEU CD2 . 34958 1 528 . 1 . 1 61 61 LEU N N 15 119.903 0.019 . 1 . . . . A 61 LEU N . 34958 1 529 . 1 . 1 62 62 GLU H H 1 8.967 0.005 . 1 . . . . A 62 GLU H . 34958 1 530 . 1 . 1 62 62 GLU HA H 1 4.162 0.011 . 1 . . . . A 62 GLU HA . 34958 1 531 . 1 . 1 62 62 GLU HB2 H 1 1.982 0.009 . 2 . . . . A 62 GLU HB2 . 34958 1 532 . 1 . 1 62 62 GLU HB3 H 1 2.053 0.008 . 2 . . . . A 62 GLU HB3 . 34958 1 533 . 1 . 1 62 62 GLU HG2 H 1 2.240 0.010 . 1 . . . . A 62 GLU HG2 . 34958 1 534 . 1 . 1 62 62 GLU CA C 13 57.822 0.013 . 1 . . . . A 62 GLU CA . 34958 1 535 . 1 . 1 62 62 GLU CB C 13 29.159 0.036 . 1 . . . . A 62 GLU CB . 34958 1 536 . 1 . 1 62 62 GLU CG C 13 35.851 0.021 . 1 . . . . A 62 GLU CG . 34958 1 537 . 1 . 1 62 62 GLU N N 15 122.061 0.026 . 1 . . . . A 62 GLU N . 34958 1 538 . 1 . 1 63 63 ASP H H 1 8.329 0.005 . 1 . . . . A 63 ASP H . 34958 1 539 . 1 . 1 63 63 ASP HA H 1 4.106 0.009 . 1 . . . . A 63 ASP HA . 34958 1 540 . 1 . 1 63 63 ASP HB2 H 1 2.069 0.009 . 2 . . . . A 63 ASP HB2 . 34958 1 541 . 1 . 1 63 63 ASP HB3 H 1 1.627 0.009 . 2 . . . . A 63 ASP HB3 . 34958 1 542 . 1 . 1 63 63 ASP CA C 13 55.833 0.057 . 1 . . . . A 63 ASP CA . 34958 1 543 . 1 . 1 63 63 ASP CB C 13 39.912 0.132 . 1 . . . . A 63 ASP CB . 34958 1 544 . 1 . 1 63 63 ASP N N 15 117.658 0.051 . 1 . . . . A 63 ASP N . 34958 1 545 . 1 . 1 64 64 TYR H H 1 7.421 0.004 . 1 . . . . A 64 TYR H . 34958 1 546 . 1 . 1 64 64 TYR HA H 1 3.446 0.000 . 1 . . . . A 64 TYR HA . 34958 1 547 . 1 . 1 64 64 TYR HB2 H 1 2.677 0.000 . 1 . . . . A 64 TYR HB2 . 34958 1 548 . 1 . 1 64 64 TYR HD1 H 1 7.045 0.011 . 1 . . . . A 64 TYR HD1 . 34958 1 549 . 1 . 1 64 64 TYR HD2 H 1 7.045 0.011 . 1 . . . . A 64 TYR HD2 . 34958 1 550 . 1 . 1 64 64 TYR HE1 H 1 6.733 0.009 . 1 . . . . A 64 TYR HE1 . 34958 1 551 . 1 . 1 64 64 TYR HE2 H 1 6.733 0.009 . 1 . . . . A 64 TYR HE2 . 34958 1 552 . 1 . 1 64 64 TYR CA C 13 57.253 0.000 . 1 . . . . A 64 TYR CA . 34958 1 553 . 1 . 1 64 64 TYR CD1 C 13 132.847 0.068 . 1 . . . . A 64 TYR CD1 . 34958 1 554 . 1 . 1 64 64 TYR CD2 C 13 132.847 0.068 . 1 . . . . A 64 TYR CD2 . 34958 1 555 . 1 . 1 64 64 TYR CE1 C 13 118.369 0.055 . 1 . . . . A 64 TYR CE1 . 34958 1 556 . 1 . 1 64 64 TYR CE2 C 13 118.369 0.055 . 1 . . . . A 64 TYR CE2 . 34958 1 557 . 1 . 1 65 65 ASP H H 1 7.991 0.004 . 1 . . . . A 65 ASP H . 34958 1 558 . 1 . 1 65 65 ASP HA H 1 4.408 0.002 . 1 . . . . A 65 ASP HA . 34958 1 559 . 1 . 1 65 65 ASP HB2 H 1 2.667 0.001 . 2 . . . . A 65 ASP HB2 . 34958 1 560 . 1 . 1 65 65 ASP HB3 H 1 2.713 0.000 . 2 . . . . A 65 ASP HB3 . 34958 1 561 . 1 . 1 65 65 ASP CA C 13 57.982 0.012 . 1 . . . . A 65 ASP CA . 34958 1 562 . 1 . 1 65 65 ASP CB C 13 40.553 0.002 . 1 . . . . A 65 ASP CB . 34958 1 563 . 1 . 1 65 65 ASP N N 15 122.507 0.025 . 1 . . . . A 65 ASP N . 34958 1 564 . 1 . 1 66 66 ARG H H 1 8.515 0.007 . 1 . . . . A 66 ARG H . 34958 1 565 . 1 . 1 66 66 ARG HA H 1 4.083 0.010 . 1 . . . . A 66 ARG HA . 34958 1 566 . 1 . 1 66 66 ARG HB2 H 1 1.768 0.004 . 1 . . . . A 66 ARG HB2 . 34958 1 567 . 1 . 1 66 66 ARG HG2 H 1 1.572 0.004 . 1 . . . . A 66 ARG HG2 . 34958 1 568 . 1 . 1 66 66 ARG HD2 H 1 3.130 0.004 . 1 . . . . A 66 ARG HD2 . 34958 1 569 . 1 . 1 66 66 ARG CA C 13 58.133 0.029 . 1 . . . . A 66 ARG CA . 34958 1 570 . 1 . 1 66 66 ARG CB C 13 29.673 0.019 . 1 . . . . A 66 ARG CB . 34958 1 571 . 1 . 1 66 66 ARG CG C 13 27.514 0.010 . 1 . . . . A 66 ARG CG . 34958 1 572 . 1 . 1 66 66 ARG CD C 13 43.235 0.059 . 1 . . . . A 66 ARG CD . 34958 1 573 . 1 . 1 66 66 ARG N N 15 114.672 0.067 . 1 . . . . A 66 ARG N . 34958 1 574 . 1 . 1 67 67 LEU H H 1 7.295 0.011 . 1 . . . . A 67 LEU H . 34958 1 575 . 1 . 1 67 67 LEU HA H 1 4.292 0.006 . 1 . . . . A 67 LEU HA . 34958 1 576 . 1 . 1 67 67 LEU HB2 H 1 1.687 0.004 . 2 . . . . A 67 LEU HB2 . 34958 1 577 . 1 . 1 67 67 LEU HB3 H 1 1.620 0.006 . 2 . . . . A 67 LEU HB3 . 34958 1 578 . 1 . 1 67 67 LEU HG H 1 1.623 0.005 . 1 . . . . A 67 LEU HG . 34958 1 579 . 1 . 1 67 67 LEU HD11 H 1 0.812 0.011 . 2 . . . . A 67 LEU HD11 . 34958 1 580 . 1 . 1 67 67 LEU HD12 H 1 0.812 0.011 . 2 . . . . A 67 LEU HD12 . 34958 1 581 . 1 . 1 67 67 LEU HD13 H 1 0.812 0.011 . 2 . . . . A 67 LEU HD13 . 34958 1 582 . 1 . 1 67 67 LEU HD21 H 1 0.880 0.010 . 2 . . . . A 67 LEU HD21 . 34958 1 583 . 1 . 1 67 67 LEU HD22 H 1 0.880 0.010 . 2 . . . . A 67 LEU HD22 . 34958 1 584 . 1 . 1 67 67 LEU HD23 H 1 0.880 0.010 . 2 . . . . A 67 LEU HD23 . 34958 1 585 . 1 . 1 67 67 LEU CA C 13 55.171 0.042 . 1 . . . . A 67 LEU CA . 34958 1 586 . 1 . 1 67 67 LEU CB C 13 43.629 0.037 . 1 . . . . A 67 LEU CB . 34958 1 587 . 1 . 1 67 67 LEU CG C 13 27.195 0.016 . 1 . . . . A 67 LEU CG . 34958 1 588 . 1 . 1 67 67 LEU CD1 C 13 24.428 0.059 . 2 . . . . A 67 LEU CD1 . 34958 1 589 . 1 . 1 67 67 LEU CD2 C 13 25.162 0.025 . 2 . . . . A 67 LEU CD2 . 34958 1 590 . 1 . 1 67 67 LEU N N 15 117.217 0.047 . 1 . . . . A 67 LEU N . 34958 1 591 . 1 . 1 68 68 ARG H H 1 7.888 0.010 . 1 . . . . A 68 ARG H . 34958 1 592 . 1 . 1 68 68 ARG HB2 H 1 1.669 0.000 . 1 . . . . A 68 ARG HB2 . 34958 1 593 . 1 . 1 68 68 ARG N N 15 123.090 0.022 . 1 . . . . A 68 ARG N . 34958 1 594 . 1 . 1 69 69 PRO HA H 1 4.270 0.000 . 1 . . . . A 69 PRO HA . 34958 1 595 . 1 . 1 69 69 PRO HG2 H 1 2.575 0.000 . 1 . . . . A 69 PRO HG2 . 34958 1 596 . 1 . 1 69 69 PRO HD2 H 1 2.944 0.004 . 2 . . . . A 69 PRO HD2 . 34958 1 597 . 1 . 1 69 69 PRO HD3 H 1 3.727 0.000 . 2 . . . . A 69 PRO HD3 . 34958 1 598 . 1 . 1 69 69 PRO CA C 13 63.590 0.000 . 1 . . . . A 69 PRO CA . 34958 1 599 . 1 . 1 69 69 PRO CB C 13 30.415 0.000 . 1 . . . . A 69 PRO CB . 34958 1 600 . 1 . 1 69 69 PRO CD C 13 51.440 0.005 . 1 . . . . A 69 PRO CD . 34958 1 601 . 1 . 1 70 70 LEU H H 1 7.386 0.009 . 1 . . . . A 70 LEU H . 34958 1 602 . 1 . 1 70 70 LEU HA H 1 3.873 0.006 . 1 . . . . A 70 LEU HA . 34958 1 603 . 1 . 1 70 70 LEU HB2 H 1 1.617 0.015 . 2 . . . . A 70 LEU HB2 . 34958 1 604 . 1 . 1 70 70 LEU HB3 H 1 1.295 0.015 . 2 . . . . A 70 LEU HB3 . 34958 1 605 . 1 . 1 70 70 LEU HG H 1 1.599 0.008 . 1 . . . . A 70 LEU HG . 34958 1 606 . 1 . 1 70 70 LEU HD11 H 1 0.692 0.013 . 2 . . . . A 70 LEU HD11 . 34958 1 607 . 1 . 1 70 70 LEU HD12 H 1 0.692 0.013 . 2 . . . . A 70 LEU HD12 . 34958 1 608 . 1 . 1 70 70 LEU HD13 H 1 0.692 0.013 . 2 . . . . A 70 LEU HD13 . 34958 1 609 . 1 . 1 70 70 LEU HD21 H 1 0.725 0.011 . 2 . . . . A 70 LEU HD21 . 34958 1 610 . 1 . 1 70 70 LEU HD22 H 1 0.725 0.011 . 2 . . . . A 70 LEU HD22 . 34958 1 611 . 1 . 1 70 70 LEU HD23 H 1 0.725 0.011 . 2 . . . . A 70 LEU HD23 . 34958 1 612 . 1 . 1 70 70 LEU CA C 13 57.134 0.047 . 1 . . . . A 70 LEU CA . 34958 1 613 . 1 . 1 70 70 LEU CB C 13 40.601 0.060 . 1 . . . . A 70 LEU CB . 34958 1 614 . 1 . 1 70 70 LEU CG C 13 27.385 0.027 . 1 . . . . A 70 LEU CG . 34958 1 615 . 1 . 1 70 70 LEU CD1 C 13 22.375 0.061 . 2 . . . . A 70 LEU CD1 . 34958 1 616 . 1 . 1 70 70 LEU CD2 C 13 25.260 0.049 . 2 . . . . A 70 LEU CD2 . 34958 1 617 . 1 . 1 70 70 LEU N N 15 118.368 0.077 . 1 . . . . A 70 LEU N . 34958 1 618 . 1 . 1 71 71 SER H H 1 7.724 0.013 . 1 . . . . A 71 SER H . 34958 1 619 . 1 . 1 71 71 SER HA H 1 4.235 0.014 . 1 . . . . A 71 SER HA . 34958 1 620 . 1 . 1 71 71 SER HB2 H 1 3.825 0.014 . 2 . . . . A 71 SER HB2 . 34958 1 621 . 1 . 1 71 71 SER HB3 H 1 3.742 0.013 . 2 . . . . A 71 SER HB3 . 34958 1 622 . 1 . 1 71 71 SER CA C 13 60.536 0.050 . 1 . . . . A 71 SER CA . 34958 1 623 . 1 . 1 71 71 SER CB C 13 64.384 0.035 . 1 . . . . A 71 SER CB . 34958 1 624 . 1 . 1 71 71 SER N N 15 111.520 0.054 . 1 . . . . A 71 SER N . 34958 1 625 . 1 . 1 72 72 TYR H H 1 7.090 0.014 . 1 . . . . A 72 TYR H . 34958 1 626 . 1 . 1 72 72 TYR HA H 1 4.577 0.013 . 1 . . . . A 72 TYR HA . 34958 1 627 . 1 . 1 72 72 TYR HB2 H 1 3.157 0.011 . 2 . . . . A 72 TYR HB2 . 34958 1 628 . 1 . 1 72 72 TYR HB3 H 1 3.526 0.013 . 2 . . . . A 72 TYR HB3 . 34958 1 629 . 1 . 1 72 72 TYR HD1 H 1 6.620 0.000 . 1 . . . . A 72 TYR HD1 . 34958 1 630 . 1 . 1 72 72 TYR HD2 H 1 6.620 0.000 . 1 . . . . A 72 TYR HD2 . 34958 1 631 . 1 . 1 72 72 TYR HE1 H 1 6.857 0.000 . 1 . . . . A 72 TYR HE1 . 34958 1 632 . 1 . 1 72 72 TYR HE2 H 1 6.857 0.000 . 1 . . . . A 72 TYR HE2 . 34958 1 633 . 1 . 1 72 72 TYR CA C 13 56.335 0.097 . 1 . . . . A 72 TYR CA . 34958 1 634 . 1 . 1 72 72 TYR CB C 13 35.927 0.066 . 1 . . . . A 72 TYR CB . 34958 1 635 . 1 . 1 72 72 TYR CE1 C 13 117.386 0.000 . 1 . . . . A 72 TYR CE1 . 34958 1 636 . 1 . 1 72 72 TYR CE2 C 13 117.386 0.000 . 1 . . . . A 72 TYR CE2 . 34958 1 637 . 1 . 1 72 72 TYR N N 15 119.842 0.059 . 1 . . . . A 72 TYR N . 34958 1 638 . 1 . 1 73 73 PRO HA H 1 4.185 0.009 . 1 . . . . A 73 PRO HA . 34958 1 639 . 1 . 1 73 73 PRO HB2 H 1 2.184 0.005 . 1 . . . . A 73 PRO HB2 . 34958 1 640 . 1 . 1 73 73 PRO HG2 H 1 2.076 0.001 . 1 . . . . A 73 PRO HG2 . 34958 1 641 . 1 . 1 73 73 PRO HD2 H 1 3.716 0.004 . 1 . . . . A 73 PRO HD2 . 34958 1 642 . 1 . 1 73 73 PRO CA C 13 66.142 0.039 . 1 . . . . A 73 PRO CA . 34958 1 643 . 1 . 1 73 73 PRO CB C 13 30.649 0.011 . 1 . . . . A 73 PRO CB . 34958 1 644 . 1 . 1 73 73 PRO CG C 13 28.776 0.001 . 1 . . . . A 73 PRO CG . 34958 1 645 . 1 . 1 74 74 GLN H H 1 8.946 0.010 . 1 . . . . A 74 GLN H . 34958 1 646 . 1 . 1 74 74 GLN HA H 1 3.709 0.006 . 1 . . . . A 74 GLN HA . 34958 1 647 . 1 . 1 74 74 GLN HB2 H 1 2.095 0.010 . 2 . . . . A 74 GLN HB2 . 34958 1 648 . 1 . 1 74 74 GLN HB3 H 1 2.176 0.012 . 2 . . . . A 74 GLN HB3 . 34958 1 649 . 1 . 1 74 74 GLN HG2 H 1 2.097 0.011 . 2 . . . . A 74 GLN HG2 . 34958 1 650 . 1 . 1 74 74 GLN HG3 H 1 2.192 0.012 . 2 . . . . A 74 GLN HG3 . 34958 1 651 . 1 . 1 74 74 GLN HE21 H 1 6.725 0.008 . 1 . . . . A 74 GLN HE21 . 34958 1 652 . 1 . 1 74 74 GLN HE22 H 1 7.443 0.003 . 1 . . . . A 74 GLN HE22 . 34958 1 653 . 1 . 1 74 74 GLN CA C 13 57.281 0.071 . 1 . . . . A 74 GLN CA . 34958 1 654 . 1 . 1 74 74 GLN CB C 13 25.760 0.061 . 1 . . . . A 74 GLN CB . 34958 1 655 . 1 . 1 74 74 GLN CG C 13 34.860 0.047 . 1 . . . . A 74 GLN CG . 34958 1 656 . 1 . 1 74 74 GLN N N 15 114.753 0.058 . 1 . . . . A 74 GLN N . 34958 1 657 . 1 . 1 74 74 GLN NE2 N 15 111.685 0.072 . 1 . . . . A 74 GLN NE2 . 34958 1 658 . 1 . 1 75 75 THR H H 1 7.283 0.009 . 1 . . . . A 75 THR H . 34958 1 659 . 1 . 1 75 75 THR HA H 1 3.063 0.005 . 1 . . . . A 75 THR HA . 34958 1 660 . 1 . 1 75 75 THR HB H 1 3.480 0.004 . 1 . . . . A 75 THR HB . 34958 1 661 . 1 . 1 75 75 THR HG1 H 1 5.694 0.000 . 1 . . . . A 75 THR HG1 . 34958 1 662 . 1 . 1 75 75 THR HG21 H 1 -0.077 0.006 . 1 . . . . A 75 THR HG21 . 34958 1 663 . 1 . 1 75 75 THR HG22 H 1 -0.077 0.006 . 1 . . . . A 75 THR HG22 . 34958 1 664 . 1 . 1 75 75 THR HG23 H 1 -0.077 0.006 . 1 . . . . A 75 THR HG23 . 34958 1 665 . 1 . 1 75 75 THR CA C 13 67.392 0.081 . 1 . . . . A 75 THR CA . 34958 1 666 . 1 . 1 75 75 THR CB C 13 68.068 0.002 . 1 . . . . A 75 THR CB . 34958 1 667 . 1 . 1 75 75 THR CG2 C 13 22.741 0.046 . 1 . . . . A 75 THR CG2 . 34958 1 668 . 1 . 1 75 75 THR N N 15 116.726 0.084 . 1 . . . . A 75 THR N . 34958 1 669 . 1 . 1 76 76 ASP H H 1 8.806 0.005 . 1 . . . . A 76 ASP H . 34958 1 670 . 1 . 1 76 76 ASP HA H 1 4.813 0.006 . 1 . . . . A 76 ASP HA . 34958 1 671 . 1 . 1 76 76 ASP HB2 H 1 2.637 0.009 . 1 . . . . A 76 ASP HB2 . 34958 1 672 . 1 . 1 76 76 ASP CA C 13 56.384 0.014 . 1 . . . . A 76 ASP CA . 34958 1 673 . 1 . 1 76 76 ASP CB C 13 44.118 0.060 . 1 . . . . A 76 ASP CB . 34958 1 674 . 1 . 1 76 76 ASP N N 15 123.667 0.052 . 1 . . . . A 76 ASP N . 34958 1 675 . 1 . 1 77 77 VAL H H 1 7.474 0.012 . 1 . . . . A 77 VAL H . 34958 1 676 . 1 . 1 77 77 VAL HA H 1 4.644 0.007 . 1 . . . . A 77 VAL HA . 34958 1 677 . 1 . 1 77 77 VAL HB H 1 2.039 0.007 . 1 . . . . A 77 VAL HB . 34958 1 678 . 1 . 1 77 77 VAL HG11 H 1 0.673 0.009 . 2 . . . . A 77 VAL HG11 . 34958 1 679 . 1 . 1 77 77 VAL HG12 H 1 0.673 0.009 . 2 . . . . A 77 VAL HG12 . 34958 1 680 . 1 . 1 77 77 VAL HG13 H 1 0.673 0.009 . 2 . . . . A 77 VAL HG13 . 34958 1 681 . 1 . 1 77 77 VAL HG21 H 1 0.833 0.006 . 2 . . . . A 77 VAL HG21 . 34958 1 682 . 1 . 1 77 77 VAL HG22 H 1 0.833 0.006 . 2 . . . . A 77 VAL HG22 . 34958 1 683 . 1 . 1 77 77 VAL HG23 H 1 0.833 0.006 . 2 . . . . A 77 VAL HG23 . 34958 1 684 . 1 . 1 77 77 VAL CA C 13 60.391 0.037 . 1 . . . . A 77 VAL CA . 34958 1 685 . 1 . 1 77 77 VAL CB C 13 33.039 0.010 . 1 . . . . A 77 VAL CB . 34958 1 686 . 1 . 1 77 77 VAL CG1 C 13 17.510 0.050 . 2 . . . . A 77 VAL CG1 . 34958 1 687 . 1 . 1 77 77 VAL CG2 C 13 21.001 0.060 . 2 . . . . A 77 VAL CG2 . 34958 1 688 . 1 . 1 77 77 VAL N N 15 115.790 0.063 . 1 . . . . A 77 VAL N . 34958 1 689 . 1 . 1 78 78 PHE H H 1 8.318 0.007 . 1 . . . . A 78 PHE H . 34958 1 690 . 1 . 1 78 78 PHE HA H 1 5.610 0.010 . 1 . . . . A 78 PHE HA . 34958 1 691 . 1 . 1 78 78 PHE HB2 H 1 2.685 0.012 . 2 . . . . A 78 PHE HB2 . 34958 1 692 . 1 . 1 78 78 PHE HB3 H 1 2.881 0.019 . 2 . . . . A 78 PHE HB3 . 34958 1 693 . 1 . 1 78 78 PHE HD1 H 1 6.894 0.013 . 1 . . . . A 78 PHE HD1 . 34958 1 694 . 1 . 1 78 78 PHE HD2 H 1 6.894 0.013 . 1 . . . . A 78 PHE HD2 . 34958 1 695 . 1 . 1 78 78 PHE HE1 H 1 6.793 0.000 . 1 . . . . A 78 PHE HE1 . 34958 1 696 . 1 . 1 78 78 PHE HE2 H 1 6.793 0.000 . 1 . . . . A 78 PHE HE2 . 34958 1 697 . 1 . 1 78 78 PHE HZ H 1 6.484 0.000 . 1 . . . . A 78 PHE HZ . 34958 1 698 . 1 . 1 78 78 PHE CA C 13 56.812 0.069 . 1 . . . . A 78 PHE CA . 34958 1 699 . 1 . 1 78 78 PHE CB C 13 43.498 0.063 . 1 . . . . A 78 PHE CB . 34958 1 700 . 1 . 1 78 78 PHE CD1 C 13 132.415 0.079 . 1 . . . . A 78 PHE CD1 . 34958 1 701 . 1 . 1 78 78 PHE CD2 C 13 132.415 0.079 . 1 . . . . A 78 PHE CD2 . 34958 1 702 . 1 . 1 78 78 PHE N N 15 122.590 0.058 . 1 . . . . A 78 PHE N . 34958 1 703 . 1 . 1 79 79 LEU H H 1 9.009 0.008 . 1 . . . . A 79 LEU H . 34958 1 704 . 1 . 1 79 79 LEU HA H 1 4.653 0.010 . 1 . . . . A 79 LEU HA . 34958 1 705 . 1 . 1 79 79 LEU HB2 H 1 1.008 0.012 . 2 . . . . A 79 LEU HB2 . 34958 1 706 . 1 . 1 79 79 LEU HB3 H 1 1.781 0.020 . 2 . . . . A 79 LEU HB3 . 34958 1 707 . 1 . 1 79 79 LEU HG H 1 1.267 0.007 . 1 . . . . A 79 LEU HG . 34958 1 708 . 1 . 1 79 79 LEU HD11 H 1 0.247 0.011 . 2 . . . . A 79 LEU HD11 . 34958 1 709 . 1 . 1 79 79 LEU HD12 H 1 0.247 0.011 . 2 . . . . A 79 LEU HD12 . 34958 1 710 . 1 . 1 79 79 LEU HD13 H 1 0.247 0.011 . 2 . . . . A 79 LEU HD13 . 34958 1 711 . 1 . 1 79 79 LEU HD21 H 1 0.422 0.006 . 2 . . . . A 79 LEU HD21 . 34958 1 712 . 1 . 1 79 79 LEU HD22 H 1 0.422 0.006 . 2 . . . . A 79 LEU HD22 . 34958 1 713 . 1 . 1 79 79 LEU HD23 H 1 0.422 0.006 . 2 . . . . A 79 LEU HD23 . 34958 1 714 . 1 . 1 79 79 LEU CA C 13 53.834 0.024 . 1 . . . . A 79 LEU CA . 34958 1 715 . 1 . 1 79 79 LEU CB C 13 41.492 0.088 . 1 . . . . A 79 LEU CB . 34958 1 716 . 1 . 1 79 79 LEU CG C 13 26.763 0.029 . 1 . . . . A 79 LEU CG . 34958 1 717 . 1 . 1 79 79 LEU CD1 C 13 24.941 0.061 . 2 . . . . A 79 LEU CD1 . 34958 1 718 . 1 . 1 79 79 LEU CD2 C 13 23.363 0.031 . 2 . . . . A 79 LEU CD2 . 34958 1 719 . 1 . 1 79 79 LEU N N 15 119.454 0.057 . 1 . . . . A 79 LEU N . 34958 1 720 . 1 . 1 80 80 VAL H H 1 8.773 0.010 . 1 . . . . A 80 VAL H . 34958 1 721 . 1 . 1 80 80 VAL HA H 1 4.222 0.009 . 1 . . . . A 80 VAL HA . 34958 1 722 . 1 . 1 80 80 VAL HB H 1 2.275 0.006 . 1 . . . . A 80 VAL HB . 34958 1 723 . 1 . 1 80 80 VAL HG11 H 1 0.600 0.004 . 2 . . . . A 80 VAL HG11 . 34958 1 724 . 1 . 1 80 80 VAL HG12 H 1 0.600 0.004 . 2 . . . . A 80 VAL HG12 . 34958 1 725 . 1 . 1 80 80 VAL HG13 H 1 0.600 0.004 . 2 . . . . A 80 VAL HG13 . 34958 1 726 . 1 . 1 80 80 VAL HG21 H 1 0.783 0.004 . 2 . . . . A 80 VAL HG21 . 34958 1 727 . 1 . 1 80 80 VAL HG22 H 1 0.783 0.004 . 2 . . . . A 80 VAL HG22 . 34958 1 728 . 1 . 1 80 80 VAL HG23 H 1 0.783 0.004 . 2 . . . . A 80 VAL HG23 . 34958 1 729 . 1 . 1 80 80 VAL CA C 13 61.418 0.067 . 1 . . . . A 80 VAL CA . 34958 1 730 . 1 . 1 80 80 VAL CB C 13 30.963 0.099 . 1 . . . . A 80 VAL CB . 34958 1 731 . 1 . 1 80 80 VAL CG1 C 13 21.325 0.047 . 2 . . . . A 80 VAL CG1 . 34958 1 732 . 1 . 1 80 80 VAL CG2 C 13 23.025 0.045 . 2 . . . . A 80 VAL CG2 . 34958 1 733 . 1 . 1 80 80 VAL N N 15 124.955 0.053 . 1 . . . . A 80 VAL N . 34958 1 734 . 1 . 1 81 81 CYS H H 1 8.958 0.006 . 1 . . . . A 81 CYS H . 34958 1 735 . 1 . 1 81 81 CYS HA H 1 5.729 0.011 . 1 . . . . A 81 CYS HA . 34958 1 736 . 1 . 1 81 81 CYS HB2 H 1 2.405 0.021 . 2 . . . . A 81 CYS HB2 . 34958 1 737 . 1 . 1 81 81 CYS HB3 H 1 2.088 0.017 . 2 . . . . A 81 CYS HB3 . 34958 1 738 . 1 . 1 81 81 CYS HG H 1 1.586 0.006 . 1 . . . . A 81 CYS HG . 34958 1 739 . 1 . 1 81 81 CYS CA C 13 57.748 0.033 . 1 . . . . A 81 CYS CA . 34958 1 740 . 1 . 1 81 81 CYS CB C 13 30.535 0.140 . 1 . . . . A 81 CYS CB . 34958 1 741 . 1 . 1 81 81 CYS N N 15 123.906 0.052 . 1 . . . . A 81 CYS N . 34958 1 742 . 1 . 1 82 82 PHE H H 1 8.806 0.009 . 1 . . . . A 82 PHE H . 34958 1 743 . 1 . 1 82 82 PHE HA H 1 4.487 0.018 . 1 . . . . A 82 PHE HA . 34958 1 744 . 1 . 1 82 82 PHE HB2 H 1 3.398 0.006 . 2 . . . . A 82 PHE HB2 . 34958 1 745 . 1 . 1 82 82 PHE HB3 H 1 2.691 0.012 . 2 . . . . A 82 PHE HB3 . 34958 1 746 . 1 . 1 82 82 PHE HD1 H 1 7.079 0.016 . 1 . . . . A 82 PHE HD1 . 34958 1 747 . 1 . 1 82 82 PHE HD2 H 1 7.079 0.016 . 1 . . . . A 82 PHE HD2 . 34958 1 748 . 1 . 1 82 82 PHE HE1 H 1 7.177 0.003 . 1 . . . . A 82 PHE HE1 . 34958 1 749 . 1 . 1 82 82 PHE HE2 H 1 7.177 0.003 . 1 . . . . A 82 PHE HE2 . 34958 1 750 . 1 . 1 82 82 PHE HZ H 1 7.075 0.017 . 1 . . . . A 82 PHE HZ . 34958 1 751 . 1 . 1 82 82 PHE CA C 13 56.429 0.051 . 1 . . . . A 82 PHE CA . 34958 1 752 . 1 . 1 82 82 PHE CB C 13 40.393 0.058 . 1 . . . . A 82 PHE CB . 34958 1 753 . 1 . 1 82 82 PHE CD1 C 13 132.813 0.019 . 1 . . . . A 82 PHE CD1 . 34958 1 754 . 1 . 1 82 82 PHE CD2 C 13 132.813 0.019 . 1 . . . . A 82 PHE CD2 . 34958 1 755 . 1 . 1 82 82 PHE CZ C 13 130.811 0.055 . 1 . . . . A 82 PHE CZ . 34958 1 756 . 1 . 1 82 82 PHE N N 15 117.833 0.098 . 1 . . . . A 82 PHE N . 34958 1 757 . 1 . 1 83 83 SER H H 1 8.004 0.015 . 1 . . . . A 83 SER H . 34958 1 758 . 1 . 1 83 83 SER HA H 1 5.065 0.014 . 1 . . . . A 83 SER HA . 34958 1 759 . 1 . 1 83 83 SER HB2 H 1 4.472 0.009 . 2 . . . . A 83 SER HB2 . 34958 1 760 . 1 . 1 83 83 SER HB3 H 1 3.476 0.012 . 2 . . . . A 83 SER HB3 . 34958 1 761 . 1 . 1 83 83 SER HG H 1 5.089 0.000 . 1 . . . . A 83 SER HG . 34958 1 762 . 1 . 1 83 83 SER CA C 13 54.985 0.014 . 1 . . . . A 83 SER CA . 34958 1 763 . 1 . 1 83 83 SER CB C 13 63.516 0.054 . 1 . . . . A 83 SER CB . 34958 1 764 . 1 . 1 83 83 SER N N 15 113.399 0.049 . 1 . . . . A 83 SER N . 34958 1 765 . 1 . 1 84 84 VAL H H 1 8.611 0.008 . 1 . . . . A 84 VAL H . 34958 1 766 . 1 . 1 84 84 VAL HA H 1 4.178 0.011 . 1 . . . . A 84 VAL HA . 34958 1 767 . 1 . 1 84 84 VAL HB H 1 2.716 0.009 . 1 . . . . A 84 VAL HB . 34958 1 768 . 1 . 1 84 84 VAL HG11 H 1 0.901 0.008 . 2 . . . . A 84 VAL HG11 . 34958 1 769 . 1 . 1 84 84 VAL HG12 H 1 0.901 0.008 . 2 . . . . A 84 VAL HG12 . 34958 1 770 . 1 . 1 84 84 VAL HG13 H 1 0.901 0.008 . 2 . . . . A 84 VAL HG13 . 34958 1 771 . 1 . 1 84 84 VAL HG21 H 1 0.794 0.007 . 2 . . . . A 84 VAL HG21 . 34958 1 772 . 1 . 1 84 84 VAL HG22 H 1 0.794 0.007 . 2 . . . . A 84 VAL HG22 . 34958 1 773 . 1 . 1 84 84 VAL HG23 H 1 0.794 0.007 . 2 . . . . A 84 VAL HG23 . 34958 1 774 . 1 . 1 84 84 VAL CA C 13 63.896 0.042 . 1 . . . . A 84 VAL CA . 34958 1 775 . 1 . 1 84 84 VAL CB C 13 30.520 0.040 . 1 . . . . A 84 VAL CB . 34958 1 776 . 1 . 1 84 84 VAL CG1 C 13 20.796 0.055 . 2 . . . . A 84 VAL CG1 . 34958 1 777 . 1 . 1 84 84 VAL CG2 C 13 20.389 0.047 . 2 . . . . A 84 VAL CG2 . 34958 1 778 . 1 . 1 84 84 VAL N N 15 120.837 0.092 . 1 . . . . A 84 VAL N . 34958 1 779 . 1 . 1 85 85 VAL H H 1 7.523 0.009 . 1 . . . . A 85 VAL H . 34958 1 780 . 1 . 1 85 85 VAL HA H 1 4.391 0.011 . 1 . . . . A 85 VAL HA . 34958 1 781 . 1 . 1 85 85 VAL HB H 1 2.384 0.006 . 1 . . . . A 85 VAL HB . 34958 1 782 . 1 . 1 85 85 VAL HG11 H 1 0.622 0.009 . 2 . . . . A 85 VAL HG11 . 34958 1 783 . 1 . 1 85 85 VAL HG12 H 1 0.622 0.009 . 2 . . . . A 85 VAL HG12 . 34958 1 784 . 1 . 1 85 85 VAL HG13 H 1 0.622 0.009 . 2 . . . . A 85 VAL HG13 . 34958 1 785 . 1 . 1 85 85 VAL HG21 H 1 0.566 0.009 . 2 . . . . A 85 VAL HG21 . 34958 1 786 . 1 . 1 85 85 VAL HG22 H 1 0.566 0.009 . 2 . . . . A 85 VAL HG22 . 34958 1 787 . 1 . 1 85 85 VAL HG23 H 1 0.566 0.009 . 2 . . . . A 85 VAL HG23 . 34958 1 788 . 1 . 1 85 85 VAL CA C 13 60.086 0.030 . 1 . . . . A 85 VAL CA . 34958 1 789 . 1 . 1 85 85 VAL CB C 13 30.176 0.056 . 1 . . . . A 85 VAL CB . 34958 1 790 . 1 . 1 85 85 VAL CG1 C 13 18.538 0.036 . 2 . . . . A 85 VAL CG1 . 34958 1 791 . 1 . 1 85 85 VAL CG2 C 13 21.474 0.043 . 2 . . . . A 85 VAL CG2 . 34958 1 792 . 1 . 1 85 85 VAL N N 15 107.832 0.049 . 1 . . . . A 85 VAL N . 34958 1 793 . 1 . 1 86 86 SER H H 1 7.710 0.007 . 1 . . . . A 86 SER H . 34958 1 794 . 1 . 1 86 86 SER HA H 1 5.078 0.007 . 1 . . . . A 86 SER HA . 34958 1 795 . 1 . 1 86 86 SER HB2 H 1 3.684 0.006 . 2 . . . . A 86 SER HB2 . 34958 1 796 . 1 . 1 86 86 SER HB3 H 1 4.042 0.011 . 2 . . . . A 86 SER HB3 . 34958 1 797 . 1 . 1 86 86 SER CA C 13 53.836 0.087 . 1 . . . . A 86 SER CA . 34958 1 798 . 1 . 1 86 86 SER CB C 13 62.764 0.069 . 1 . . . . A 86 SER CB . 34958 1 799 . 1 . 1 86 86 SER N N 15 112.604 0.040 . 1 . . . . A 86 SER N . 34958 1 800 . 1 . 1 87 87 PRO HA H 1 4.180 0.008 . 1 . . . . A 87 PRO HA . 34958 1 801 . 1 . 1 87 87 PRO HB2 H 1 2.515 0.006 . 1 . . . . A 87 PRO HB2 . 34958 1 802 . 1 . 1 87 87 PRO HG2 H 1 1.819 0.010 . 2 . . . . A 87 PRO HG2 . 34958 1 803 . 1 . 1 87 87 PRO HG3 H 1 1.980 0.010 . 2 . . . . A 87 PRO HG3 . 34958 1 804 . 1 . 1 87 87 PRO HD2 H 1 3.800 0.010 . 2 . . . . A 87 PRO HD2 . 34958 1 805 . 1 . 1 87 87 PRO HD3 H 1 3.280 0.010 . 2 . . . . A 87 PRO HD3 . 34958 1 806 . 1 . 1 87 87 PRO CA C 13 65.833 0.086 . 1 . . . . A 87 PRO CA . 34958 1 807 . 1 . 1 87 87 PRO CB C 13 32.303 0.045 . 1 . . . . A 87 PRO CB . 34958 1 808 . 1 . 1 87 87 PRO CG C 13 28.006 0.039 . 1 . . . . A 87 PRO CG . 34958 1 809 . 1 . 1 87 87 PRO CD C 13 50.750 0.067 . 1 . . . . A 87 PRO CD . 34958 1 810 . 1 . 1 88 88 SER HA H 1 4.192 0.014 . 1 . . . . A 88 SER HA . 34958 1 811 . 1 . 1 89 89 SER H H 1 7.971 0.005 . 1 . . . . A 89 SER H . 34958 1 812 . 1 . 1 89 89 SER HA H 1 4.999 0.008 . 1 . . . . A 89 SER HA . 34958 1 813 . 1 . 1 89 89 SER HB2 H 1 4.434 0.011 . 1 . . . . A 89 SER HB2 . 34958 1 814 . 1 . 1 89 89 SER HG H 1 6.011 0.000 . 1 . . . . A 89 SER HG . 34958 1 815 . 1 . 1 89 89 SER CA C 13 61.399 0.096 . 1 . . . . A 89 SER CA . 34958 1 816 . 1 . 1 89 89 SER CB C 13 64.496 0.066 . 1 . . . . A 89 SER CB . 34958 1 817 . 1 . 1 89 89 SER N N 15 120.719 0.046 . 1 . . . . A 89 SER N . 34958 1 818 . 1 . 1 90 90 PHE H H 1 7.377 0.005 . 1 . . . . A 90 PHE H . 34958 1 819 . 1 . 1 90 90 PHE HA H 1 3.859 0.005 . 1 . . . . A 90 PHE HA . 34958 1 820 . 1 . 1 90 90 PHE HB2 H 1 2.748 0.009 . 2 . . . . A 90 PHE HB2 . 34958 1 821 . 1 . 1 90 90 PHE HB3 H 1 3.238 0.008 . 2 . . . . A 90 PHE HB3 . 34958 1 822 . 1 . 1 90 90 PHE HD1 H 1 5.941 0.013 . 1 . . . . A 90 PHE HD1 . 34958 1 823 . 1 . 1 90 90 PHE HD2 H 1 5.941 0.013 . 1 . . . . A 90 PHE HD2 . 34958 1 824 . 1 . 1 90 90 PHE HE1 H 1 6.691 0.015 . 1 . . . . A 90 PHE HE1 . 34958 1 825 . 1 . 1 90 90 PHE HE2 H 1 6.691 0.015 . 1 . . . . A 90 PHE HE2 . 34958 1 826 . 1 . 1 90 90 PHE HZ H 1 6.777 0.005 . 1 . . . . A 90 PHE HZ . 34958 1 827 . 1 . 1 90 90 PHE CA C 13 60.174 0.058 . 1 . . . . A 90 PHE CA . 34958 1 828 . 1 . 1 90 90 PHE CB C 13 39.681 0.052 . 1 . . . . A 90 PHE CB . 34958 1 829 . 1 . 1 90 90 PHE CD1 C 13 131.737 0.113 . 1 . . . . A 90 PHE CD1 . 34958 1 830 . 1 . 1 90 90 PHE CD2 C 13 131.737 0.113 . 1 . . . . A 90 PHE CD2 . 34958 1 831 . 1 . 1 90 90 PHE CE1 C 13 130.649 0.064 . 1 . . . . A 90 PHE CE1 . 34958 1 832 . 1 . 1 90 90 PHE CE2 C 13 130.649 0.064 . 1 . . . . A 90 PHE CE2 . 34958 1 833 . 1 . 1 90 90 PHE CZ C 13 129.977 0.065 . 1 . . . . A 90 PHE CZ . 34958 1 834 . 1 . 1 90 90 PHE N N 15 125.418 0.049 . 1 . . . . A 90 PHE N . 34958 1 835 . 1 . 1 91 91 GLU H H 1 8.063 0.010 . 1 . . . . A 91 GLU H . 34958 1 836 . 1 . 1 91 91 GLU HA H 1 3.848 0.006 . 1 . . . . A 91 GLU HA . 34958 1 837 . 1 . 1 91 91 GLU HB2 H 1 2.042 0.006 . 1 . . . . A 91 GLU HB2 . 34958 1 838 . 1 . 1 91 91 GLU HG2 H 1 2.271 0.017 . 2 . . . . A 91 GLU HG2 . 34958 1 839 . 1 . 1 91 91 GLU HG3 H 1 2.323 0.011 . 2 . . . . A 91 GLU HG3 . 34958 1 840 . 1 . 1 91 91 GLU CA C 13 58.995 0.040 . 1 . . . . A 91 GLU CA . 34958 1 841 . 1 . 1 91 91 GLU CB C 13 29.019 0.050 . 1 . . . . A 91 GLU CB . 34958 1 842 . 1 . 1 91 91 GLU CG C 13 35.844 0.025 . 1 . . . . A 91 GLU CG . 34958 1 843 . 1 . 1 91 91 GLU N N 15 119.446 0.059 . 1 . . . . A 91 GLU N . 34958 1 844 . 1 . 1 92 92 ASN H H 1 8.039 0.004 . 1 . . . . A 92 ASN H . 34958 1 845 . 1 . 1 92 92 ASN HA H 1 4.685 0.014 . 1 . . . . A 92 ASN HA . 34958 1 846 . 1 . 1 92 92 ASN HB2 H 1 2.772 0.013 . 2 . . . . A 92 ASN HB2 . 34958 1 847 . 1 . 1 92 92 ASN HB3 H 1 3.226 0.009 . 2 . . . . A 92 ASN HB3 . 34958 1 848 . 1 . 1 92 92 ASN HD21 H 1 6.669 0.005 . 1 . . . . A 92 ASN HD21 . 34958 1 849 . 1 . 1 92 92 ASN HD22 H 1 10.192 0.005 . 1 . . . . A 92 ASN HD22 . 34958 1 850 . 1 . 1 92 92 ASN CA C 13 54.913 0.122 . 1 . . . . A 92 ASN CA . 34958 1 851 . 1 . 1 92 92 ASN CB C 13 38.363 0.134 . 1 . . . . A 92 ASN CB . 34958 1 852 . 1 . 1 92 92 ASN N N 15 114.476 0.038 . 1 . . . . A 92 ASN N . 34958 1 853 . 1 . 1 92 92 ASN ND2 N 15 116.430 0.043 . 1 . . . . A 92 ASN ND2 . 34958 1 854 . 1 . 1 93 93 VAL H H 1 7.786 0.007 . 1 . . . . A 93 VAL H . 34958 1 855 . 1 . 1 93 93 VAL HA H 1 3.670 0.010 . 1 . . . . A 93 VAL HA . 34958 1 856 . 1 . 1 93 93 VAL HB H 1 2.210 0.009 . 1 . . . . A 93 VAL HB . 34958 1 857 . 1 . 1 93 93 VAL HG11 H 1 1.167 0.006 . 2 . . . . A 93 VAL HG11 . 34958 1 858 . 1 . 1 93 93 VAL HG12 H 1 1.167 0.006 . 2 . . . . A 93 VAL HG12 . 34958 1 859 . 1 . 1 93 93 VAL HG13 H 1 1.167 0.006 . 2 . . . . A 93 VAL HG13 . 34958 1 860 . 1 . 1 93 93 VAL HG21 H 1 0.750 0.012 . 2 . . . . A 93 VAL HG21 . 34958 1 861 . 1 . 1 93 93 VAL HG22 H 1 0.750 0.012 . 2 . . . . A 93 VAL HG22 . 34958 1 862 . 1 . 1 93 93 VAL HG23 H 1 0.750 0.012 . 2 . . . . A 93 VAL HG23 . 34958 1 863 . 1 . 1 93 93 VAL CA C 13 68.659 0.084 . 1 . . . . A 93 VAL CA . 34958 1 864 . 1 . 1 93 93 VAL CB C 13 31.098 0.065 . 1 . . . . A 93 VAL CB . 34958 1 865 . 1 . 1 93 93 VAL CG1 C 13 22.859 0.035 . 2 . . . . A 93 VAL CG1 . 34958 1 866 . 1 . 1 93 93 VAL CG2 C 13 22.659 0.037 . 2 . . . . A 93 VAL CG2 . 34958 1 867 . 1 . 1 93 93 VAL N N 15 124.077 0.098 . 1 . . . . A 93 VAL N . 34958 1 868 . 1 . 1 94 94 LYS H H 1 6.553 0.006 . 1 . . . . A 94 LYS H . 34958 1 869 . 1 . 1 94 94 LYS HA H 1 3.850 0.009 . 1 . . . . A 94 LYS HA . 34958 1 870 . 1 . 1 94 94 LYS HB2 H 1 1.819 0.006 . 2 . . . . A 94 LYS HB2 . 34958 1 871 . 1 . 1 94 94 LYS HB3 H 1 1.595 0.012 . 2 . . . . A 94 LYS HB3 . 34958 1 872 . 1 . 1 94 94 LYS HG2 H 1 1.220 0.005 . 1 . . . . A 94 LYS HG2 . 34958 1 873 . 1 . 1 94 94 LYS HD2 H 1 1.495 0.006 . 1 . . . . A 94 LYS HD2 . 34958 1 874 . 1 . 1 94 94 LYS HE2 H 1 2.761 0.005 . 1 . . . . A 94 LYS HE2 . 34958 1 875 . 1 . 1 94 94 LYS CA C 13 58.224 0.067 . 1 . . . . A 94 LYS CA . 34958 1 876 . 1 . 1 94 94 LYS CB C 13 33.600 0.063 . 1 . . . . A 94 LYS CB . 34958 1 877 . 1 . 1 94 94 LYS CG C 13 24.719 0.051 . 1 . . . . A 94 LYS CG . 34958 1 878 . 1 . 1 94 94 LYS CD C 13 29.446 0.027 . 1 . . . . A 94 LYS CD . 34958 1 879 . 1 . 1 94 94 LYS CE C 13 41.745 0.035 . 1 . . . . A 94 LYS CE . 34958 1 880 . 1 . 1 94 94 LYS N N 15 115.288 0.045 . 1 . . . . A 94 LYS N . 34958 1 881 . 1 . 1 95 95 GLU H H 1 7.589 0.009 . 1 . . . . A 95 GLU H . 34958 1 882 . 1 . 1 95 95 GLU HA H 1 4.005 0.007 . 1 . . . . A 95 GLU HA . 34958 1 883 . 1 . 1 95 95 GLU HB2 H 1 1.991 0.005 . 2 . . . . A 95 GLU HB2 . 34958 1 884 . 1 . 1 95 95 GLU HB3 H 1 1.734 0.008 . 2 . . . . A 95 GLU HB3 . 34958 1 885 . 1 . 1 95 95 GLU HG2 H 1 2.221 0.006 . 2 . . . . A 95 GLU HG2 . 34958 1 886 . 1 . 1 95 95 GLU HG3 H 1 2.144 0.008 . 2 . . . . A 95 GLU HG3 . 34958 1 887 . 1 . 1 95 95 GLU CA C 13 57.721 0.057 . 1 . . . . A 95 GLU CA . 34958 1 888 . 1 . 1 95 95 GLU CB C 13 30.787 0.090 . 1 . . . . A 95 GLU CB . 34958 1 889 . 1 . 1 95 95 GLU CG C 13 35.695 0.063 . 1 . . . . A 95 GLU CG . 34958 1 890 . 1 . 1 95 95 GLU N N 15 112.788 0.046 . 1 . . . . A 95 GLU N . 34958 1 891 . 1 . 1 96 96 LYS H H 1 8.034 0.009 . 1 . . . . A 96 LYS H . 34958 1 892 . 1 . 1 96 96 LYS HA H 1 4.214 0.011 . 1 . . . . A 96 LYS HA . 34958 1 893 . 1 . 1 96 96 LYS HB2 H 1 0.869 0.013 . 2 . . . . A 96 LYS HB2 . 34958 1 894 . 1 . 1 96 96 LYS HB3 H 1 1.153 0.012 . 2 . . . . A 96 LYS HB3 . 34958 1 895 . 1 . 1 96 96 LYS HG2 H 1 0.535 0.013 . 2 . . . . A 96 LYS HG2 . 34958 1 896 . 1 . 1 96 96 LYS HG3 H 1 -0.393 0.019 . 2 . . . . A 96 LYS HG3 . 34958 1 897 . 1 . 1 96 96 LYS HD2 H 1 0.859 0.010 . 2 . . . . A 96 LYS HD2 . 34958 1 898 . 1 . 1 96 96 LYS HD3 H 1 0.554 0.015 . 2 . . . . A 96 LYS HD3 . 34958 1 899 . 1 . 1 96 96 LYS HE2 H 1 1.966 0.010 . 2 . . . . A 96 LYS HE2 . 34958 1 900 . 1 . 1 96 96 LYS HE3 H 1 2.158 0.007 . 2 . . . . A 96 LYS HE3 . 34958 1 901 . 1 . 1 96 96 LYS CA C 13 57.492 0.084 . 1 . . . . A 96 LYS CA . 34958 1 902 . 1 . 1 96 96 LYS CB C 13 35.537 0.073 . 1 . . . . A 96 LYS CB . 34958 1 903 . 1 . 1 96 96 LYS CG C 13 25.030 0.079 . 1 . . . . A 96 LYS CG . 34958 1 904 . 1 . 1 96 96 LYS CD C 13 29.542 0.089 . 1 . . . . A 96 LYS CD . 34958 1 905 . 1 . 1 96 96 LYS CE C 13 41.568 0.073 . 1 . . . . A 96 LYS CE . 34958 1 906 . 1 . 1 96 96 LYS N N 15 115.929 0.072 . 1 . . . . A 96 LYS N . 34958 1 907 . 1 . 1 97 97 TRP H H 1 7.644 0.012 . 1 . . . . A 97 TRP H . 34958 1 908 . 1 . 1 97 97 TRP HA H 1 4.297 0.008 . 1 . . . . A 97 TRP HA . 34958 1 909 . 1 . 1 97 97 TRP HB2 H 1 2.889 0.011 . 2 . . . . A 97 TRP HB2 . 34958 1 910 . 1 . 1 97 97 TRP HB3 H 1 3.176 0.010 . 2 . . . . A 97 TRP HB3 . 34958 1 911 . 1 . 1 97 97 TRP HD1 H 1 6.628 0.011 . 1 . . . . A 97 TRP HD1 . 34958 1 912 . 1 . 1 97 97 TRP HE1 H 1 11.579 0.005 . 1 . . . . A 97 TRP HE1 . 34958 1 913 . 1 . 1 97 97 TRP HE3 H 1 7.171 0.006 . 1 . . . . A 97 TRP HE3 . 34958 1 914 . 1 . 1 97 97 TRP HZ2 H 1 7.602 0.012 . 1 . . . . A 97 TRP HZ2 . 34958 1 915 . 1 . 1 97 97 TRP HZ3 H 1 7.740 0.004 . 1 . . . . A 97 TRP HZ3 . 34958 1 916 . 1 . 1 97 97 TRP HH2 H 1 7.017 0.010 . 1 . . . . A 97 TRP HH2 . 34958 1 917 . 1 . 1 97 97 TRP CA C 13 61.085 0.045 . 1 . . . . A 97 TRP CA . 34958 1 918 . 1 . 1 97 97 TRP CB C 13 31.357 0.094 . 1 . . . . A 97 TRP CB . 34958 1 919 . 1 . 1 97 97 TRP CD1 C 13 126.035 0.029 . 1 . . . . A 97 TRP CD1 . 34958 1 920 . 1 . 1 97 97 TRP CE3 C 13 118.981 0.083 . 1 . . . . A 97 TRP CE3 . 34958 1 921 . 1 . 1 97 97 TRP CZ2 C 13 116.404 0.097 . 1 . . . . A 97 TRP CZ2 . 34958 1 922 . 1 . 1 97 97 TRP CZ3 C 13 120.741 0.087 . 1 . . . . A 97 TRP CZ3 . 34958 1 923 . 1 . 1 97 97 TRP CH2 C 13 124.084 0.082 . 1 . . . . A 97 TRP CH2 . 34958 1 924 . 1 . 1 97 97 TRP N N 15 120.052 0.047 . 1 . . . . A 97 TRP N . 34958 1 925 . 1 . 1 97 97 TRP NE1 N 15 133.175 0.029 . 1 . . . . A 97 TRP NE1 . 34958 1 926 . 1 . 1 98 98 VAL H H 1 8.532 0.012 . 1 . . . . A 98 VAL H . 34958 1 927 . 1 . 1 98 98 VAL HA H 1 3.468 0.010 . 1 . . . . A 98 VAL HA . 34958 1 928 . 1 . 1 98 98 VAL HB H 1 2.080 0.012 . 1 . . . . A 98 VAL HB . 34958 1 929 . 1 . 1 98 98 VAL HG11 H 1 0.544 0.007 . 2 . . . . A 98 VAL HG11 . 34958 1 930 . 1 . 1 98 98 VAL HG12 H 1 0.544 0.007 . 2 . . . . A 98 VAL HG12 . 34958 1 931 . 1 . 1 98 98 VAL HG13 H 1 0.544 0.007 . 2 . . . . A 98 VAL HG13 . 34958 1 932 . 1 . 1 98 98 VAL HG21 H 1 0.645 0.007 . 2 . . . . A 98 VAL HG21 . 34958 1 933 . 1 . 1 98 98 VAL HG22 H 1 0.645 0.007 . 2 . . . . A 98 VAL HG22 . 34958 1 934 . 1 . 1 98 98 VAL HG23 H 1 0.645 0.007 . 2 . . . . A 98 VAL HG23 . 34958 1 935 . 1 . 1 98 98 VAL CA C 13 68.417 0.030 . 1 . . . . A 98 VAL CA . 34958 1 936 . 1 . 1 98 98 VAL CB C 13 28.793 0.143 . 1 . . . . A 98 VAL CB . 34958 1 937 . 1 . 1 98 98 VAL CG1 C 13 25.520 0.044 . 2 . . . . A 98 VAL CG1 . 34958 1 938 . 1 . 1 98 98 VAL CG2 C 13 21.702 0.034 . 2 . . . . A 98 VAL CG2 . 34958 1 939 . 1 . 1 98 98 VAL N N 15 116.691 0.055 . 1 . . . . A 98 VAL N . 34958 1 940 . 1 . 1 99 99 PRO HA H 1 3.881 0.014 . 1 . . . . A 99 PRO HA . 34958 1 941 . 1 . 1 99 99 PRO HB2 H 1 1.479 0.013 . 2 . . . . A 99 PRO HB2 . 34958 1 942 . 1 . 1 99 99 PRO HB3 H 1 2.093 0.010 . 2 . . . . A 99 PRO HB3 . 34958 1 943 . 1 . 1 99 99 PRO HG2 H 1 1.697 0.012 . 2 . . . . A 99 PRO HG2 . 34958 1 944 . 1 . 1 99 99 PRO HG3 H 1 1.763 0.005 . 2 . . . . A 99 PRO HG3 . 34958 1 945 . 1 . 1 99 99 PRO HD2 H 1 3.357 0.007 . 2 . . . . A 99 PRO HD2 . 34958 1 946 . 1 . 1 99 99 PRO HD3 H 1 2.870 0.014 . 2 . . . . A 99 PRO HD3 . 34958 1 947 . 1 . 1 99 99 PRO CA C 13 66.823 0.069 . 1 . . . . A 99 PRO CA . 34958 1 948 . 1 . 1 99 99 PRO CB C 13 30.693 0.038 . 1 . . . . A 99 PRO CB . 34958 1 949 . 1 . 1 99 99 PRO CG C 13 28.252 0.075 . 1 . . . . A 99 PRO CG . 34958 1 950 . 1 . 1 99 99 PRO CD C 13 49.767 0.040 . 1 . . . . A 99 PRO CD . 34958 1 951 . 1 . 1 100 100 GLU H H 1 7.476 0.007 . 1 . . . . A 100 GLU H . 34958 1 952 . 1 . 1 100 100 GLU HA H 1 4.116 0.010 . 1 . . . . A 100 GLU HA . 34958 1 953 . 1 . 1 100 100 GLU HB2 H 1 2.126 0.007 . 1 . . . . A 100 GLU HB2 . 34958 1 954 . 1 . 1 100 100 GLU HG2 H 1 2.417 0.008 . 1 . . . . A 100 GLU HG2 . 34958 1 955 . 1 . 1 100 100 GLU CA C 13 60.964 0.073 . 1 . . . . A 100 GLU CA . 34958 1 956 . 1 . 1 100 100 GLU CB C 13 30.095 0.020 . 1 . . . . A 100 GLU CB . 34958 1 957 . 1 . 1 100 100 GLU CG C 13 38.492 0.002 . 1 . . . . A 100 GLU CG . 34958 1 958 . 1 . 1 100 100 GLU N N 15 117.043 0.025 . 1 . . . . A 100 GLU N . 34958 1 959 . 1 . 1 101 101 ILE H H 1 8.149 0.008 . 1 . . . . A 101 ILE H . 34958 1 960 . 1 . 1 101 101 ILE HA H 1 3.460 0.007 . 1 . . . . A 101 ILE HA . 34958 1 961 . 1 . 1 101 101 ILE HB H 1 0.347 0.015 . 1 . . . . A 101 ILE HB . 34958 1 962 . 1 . 1 101 101 ILE HG12 H 1 0.873 0.022 . 2 . . . . A 101 ILE HG12 . 34958 1 963 . 1 . 1 101 101 ILE HG13 H 1 0.937 0.012 . 2 . . . . A 101 ILE HG13 . 34958 1 964 . 1 . 1 101 101 ILE HG21 H 1 0.055 0.009 . 1 . . . . A 101 ILE HG21 . 34958 1 965 . 1 . 1 101 101 ILE HG22 H 1 0.055 0.009 . 1 . . . . A 101 ILE HG22 . 34958 1 966 . 1 . 1 101 101 ILE HG23 H 1 0.055 0.009 . 1 . . . . A 101 ILE HG23 . 34958 1 967 . 1 . 1 101 101 ILE HD11 H 1 -0.222 0.006 . 1 . . . . A 101 ILE HD11 . 34958 1 968 . 1 . 1 101 101 ILE HD12 H 1 -0.222 0.006 . 1 . . . . A 101 ILE HD12 . 34958 1 969 . 1 . 1 101 101 ILE HD13 H 1 -0.222 0.006 . 1 . . . . A 101 ILE HD13 . 34958 1 970 . 1 . 1 101 101 ILE CA C 13 66.049 0.044 . 1 . . . . A 101 ILE CA . 34958 1 971 . 1 . 1 101 101 ILE CB C 13 36.368 0.088 . 1 . . . . A 101 ILE CB . 34958 1 972 . 1 . 1 101 101 ILE CG1 C 13 25.409 0.075 . 1 . . . . A 101 ILE CG1 . 34958 1 973 . 1 . 1 101 101 ILE CG2 C 13 18.542 0.063 . 1 . . . . A 101 ILE CG2 . 34958 1 974 . 1 . 1 101 101 ILE CD1 C 13 14.397 0.020 . 1 . . . . A 101 ILE CD1 . 34958 1 975 . 1 . 1 101 101 ILE N N 15 113.113 0.068 . 1 . . . . A 101 ILE N . 34958 1 976 . 1 . 1 102 102 THR H H 1 7.775 0.009 . 1 . . . . A 102 THR H . 34958 1 977 . 1 . 1 102 102 THR HA H 1 3.704 0.006 . 1 . . . . A 102 THR HA . 34958 1 978 . 1 . 1 102 102 THR HB H 1 4.073 0.008 . 1 . . . . A 102 THR HB . 34958 1 979 . 1 . 1 102 102 THR HG21 H 1 1.168 0.005 . 1 . . . . A 102 THR HG21 . 34958 1 980 . 1 . 1 102 102 THR HG22 H 1 1.168 0.005 . 1 . . . . A 102 THR HG22 . 34958 1 981 . 1 . 1 102 102 THR HG23 H 1 1.168 0.005 . 1 . . . . A 102 THR HG23 . 34958 1 982 . 1 . 1 102 102 THR CA C 13 65.046 0.066 . 1 . . . . A 102 THR CA . 34958 1 983 . 1 . 1 102 102 THR CB C 13 69.607 0.047 . 1 . . . . A 102 THR CB . 34958 1 984 . 1 . 1 102 102 THR CG2 C 13 21.791 0.058 . 1 . . . . A 102 THR CG2 . 34958 1 985 . 1 . 1 102 102 THR N N 15 112.943 0.063 . 1 . . . . A 102 THR N . 34958 1 986 . 1 . 1 103 103 HIS H H 1 7.501 0.010 . 1 . . . . A 103 HIS H . 34958 1 987 . 1 . 1 103 103 HIS HA H 1 4.162 0.008 . 1 . . . . A 103 HIS HA . 34958 1 988 . 1 . 1 103 103 HIS HB2 H 1 3.132 0.013 . 1 . . . . A 103 HIS HB2 . 34958 1 989 . 1 . 1 103 103 HIS HD2 H 1 5.641 0.001 . 1 . . . . A 103 HIS HD2 . 34958 1 990 . 1 . 1 103 103 HIS CA C 13 58.784 0.028 . 1 . . . . A 103 HIS CA . 34958 1 991 . 1 . 1 103 103 HIS CB C 13 29.266 0.122 . 1 . . . . A 103 HIS CB . 34958 1 992 . 1 . 1 103 103 HIS CD2 C 13 119.177 0.081 . 1 . . . . A 103 HIS CD2 . 34958 1 993 . 1 . 1 103 103 HIS N N 15 119.483 0.164 . 1 . . . . A 103 HIS N . 34958 1 994 . 1 . 1 104 104 HIS H H 1 7.122 0.015 . 1 . . . . A 104 HIS H . 34958 1 995 . 1 . 1 104 104 HIS HA H 1 4.116 0.007 . 1 . . . . A 104 HIS HA . 34958 1 996 . 1 . 1 104 104 HIS HB2 H 1 3.438 0.015 . 2 . . . . A 104 HIS HB2 . 34958 1 997 . 1 . 1 104 104 HIS HB3 H 1 2.945 0.018 . 2 . . . . A 104 HIS HB3 . 34958 1 998 . 1 . 1 104 104 HIS HD2 H 1 6.591 0.024 . 1 . . . . A 104 HIS HD2 . 34958 1 999 . 1 . 1 104 104 HIS CA C 13 59.534 0.061 . 1 . . . . A 104 HIS CA . 34958 1 1000 . 1 . 1 104 104 HIS CB C 13 33.792 0.076 . 1 . . . . A 104 HIS CB . 34958 1 1001 . 1 . 1 104 104 HIS N N 15 113.599 0.064 . 1 . . . . A 104 HIS N . 34958 1 1002 . 1 . 1 105 105 CYS H H 1 8.407 0.006 . 1 . . . . A 105 CYS H . 34958 1 1003 . 1 . 1 105 105 CYS HA H 1 4.921 0.004 . 1 . . . . A 105 CYS HA . 34958 1 1004 . 1 . 1 105 105 CYS HB2 H 1 2.927 0.007 . 2 . . . . A 105 CYS HB2 . 34958 1 1005 . 1 . 1 105 105 CYS HB3 H 1 3.487 0.021 . 2 . . . . A 105 CYS HB3 . 34958 1 1006 . 1 . 1 105 105 CYS CA C 13 56.273 0.050 . 1 . . . . A 105 CYS CA . 34958 1 1007 . 1 . 1 105 105 CYS CB C 13 28.993 0.047 . 1 . . . . A 105 CYS CB . 34958 1 1008 . 1 . 1 105 105 CYS N N 15 117.243 0.078 . 1 . . . . A 105 CYS N . 34958 1 1009 . 1 . 1 106 106 PRO HA H 1 4.432 0.023 . 1 . . . . A 106 PRO HA . 34958 1 1010 . 1 . 1 106 106 PRO HB2 H 1 2.441 0.007 . 2 . . . . A 106 PRO HB2 . 34958 1 1011 . 1 . 1 106 106 PRO HB3 H 1 1.857 0.008 . 2 . . . . A 106 PRO HB3 . 34958 1 1012 . 1 . 1 106 106 PRO HG2 H 1 1.970 0.007 . 2 . . . . A 106 PRO HG2 . 34958 1 1013 . 1 . 1 106 106 PRO HG3 H 1 1.858 0.008 . 2 . . . . A 106 PRO HG3 . 34958 1 1014 . 1 . 1 106 106 PRO HD2 H 1 3.212 0.011 . 2 . . . . A 106 PRO HD2 . 34958 1 1015 . 1 . 1 106 106 PRO HD3 H 1 3.511 0.005 . 2 . . . . A 106 PRO HD3 . 34958 1 1016 . 1 . 1 106 106 PRO CA C 13 64.828 0.053 . 1 . . . . A 106 PRO CA . 34958 1 1017 . 1 . 1 106 106 PRO CB C 13 32.280 0.074 . 1 . . . . A 106 PRO CB . 34958 1 1018 . 1 . 1 106 106 PRO CG C 13 27.311 0.044 . 1 . . . . A 106 PRO CG . 34958 1 1019 . 1 . 1 106 106 PRO CD C 13 50.141 0.059 . 1 . . . . A 106 PRO CD . 34958 1 1020 . 1 . 1 107 107 LYS H H 1 8.724 0.007 . 1 . . . . A 107 LYS H . 34958 1 1021 . 1 . 1 107 107 LYS HA H 1 4.287 0.004 . 1 . . . . A 107 LYS HA . 34958 1 1022 . 1 . 1 107 107 LYS HB2 H 1 2.012 0.005 . 2 . . . . A 107 LYS HB2 . 34958 1 1023 . 1 . 1 107 107 LYS HB3 H 1 1.838 0.009 . 2 . . . . A 107 LYS HB3 . 34958 1 1024 . 1 . 1 107 107 LYS HG2 H 1 1.342 0.005 . 1 . . . . A 107 LYS HG2 . 34958 1 1025 . 1 . 1 107 107 LYS HD2 H 1 1.599 0.002 . 2 . . . . A 107 LYS HD2 . 34958 1 1026 . 1 . 1 107 107 LYS HD3 H 1 1.637 0.005 . 2 . . . . A 107 LYS HD3 . 34958 1 1027 . 1 . 1 107 107 LYS HE2 H 1 2.924 0.000 . 1 . . . . A 107 LYS HE2 . 34958 1 1028 . 1 . 1 107 107 LYS CA C 13 55.978 0.062 . 1 . . . . A 107 LYS CA . 34958 1 1029 . 1 . 1 107 107 LYS CB C 13 31.704 0.179 . 1 . . . . A 107 LYS CB . 34958 1 1030 . 1 . 1 107 107 LYS CG C 13 25.291 0.010 . 1 . . . . A 107 LYS CG . 34958 1 1031 . 1 . 1 107 107 LYS CD C 13 29.034 0.025 . 1 . . . . A 107 LYS CD . 34958 1 1032 . 1 . 1 107 107 LYS CE C 13 42.116 0.001 . 1 . . . . A 107 LYS CE . 34958 1 1033 . 1 . 1 107 107 LYS N N 15 116.062 0.053 . 1 . . . . A 107 LYS N . 34958 1 1034 . 1 . 1 108 108 THR H H 1 7.505 0.007 . 1 . . . . A 108 THR H . 34958 1 1035 . 1 . 1 108 108 THR HA H 1 4.629 0.014 . 1 . . . . A 108 THR HA . 34958 1 1036 . 1 . 1 108 108 THR HB H 1 4.029 0.013 . 1 . . . . A 108 THR HB . 34958 1 1037 . 1 . 1 108 108 THR HG21 H 1 1.228 0.006 . 1 . . . . A 108 THR HG21 . 34958 1 1038 . 1 . 1 108 108 THR HG22 H 1 1.228 0.006 . 1 . . . . A 108 THR HG22 . 34958 1 1039 . 1 . 1 108 108 THR HG23 H 1 1.228 0.006 . 1 . . . . A 108 THR HG23 . 34958 1 1040 . 1 . 1 108 108 THR CA C 13 61.496 0.021 . 1 . . . . A 108 THR CA . 34958 1 1041 . 1 . 1 108 108 THR CB C 13 70.414 0.061 . 1 . . . . A 108 THR CB . 34958 1 1042 . 1 . 1 108 108 THR CG2 C 13 22.131 0.066 . 1 . . . . A 108 THR CG2 . 34958 1 1043 . 1 . 1 108 108 THR N N 15 120.239 0.054 . 1 . . . . A 108 THR N . 34958 1 1044 . 1 . 1 109 109 PRO HA H 1 4.505 0.006 . 1 . . . . A 109 PRO HA . 34958 1 1045 . 1 . 1 109 109 PRO HB2 H 1 1.657 0.007 . 2 . . . . A 109 PRO HB2 . 34958 1 1046 . 1 . 1 109 109 PRO HB3 H 1 2.205 0.010 . 2 . . . . A 109 PRO HB3 . 34958 1 1047 . 1 . 1 109 109 PRO HG2 H 1 2.034 0.005 . 2 . . . . A 109 PRO HG2 . 34958 1 1048 . 1 . 1 109 109 PRO HG3 H 1 2.192 0.010 . 2 . . . . A 109 PRO HG3 . 34958 1 1049 . 1 . 1 109 109 PRO HD2 H 1 3.867 0.018 . 2 . . . . A 109 PRO HD2 . 34958 1 1050 . 1 . 1 109 109 PRO HD3 H 1 4.124 0.016 . 2 . . . . A 109 PRO HD3 . 34958 1 1051 . 1 . 1 109 109 PRO CA C 13 62.651 0.050 . 1 . . . . A 109 PRO CA . 34958 1 1052 . 1 . 1 109 109 PRO CB C 13 33.757 0.034 . 1 . . . . A 109 PRO CB . 34958 1 1053 . 1 . 1 109 109 PRO CG C 13 27.204 0.026 . 1 . . . . A 109 PRO CG . 34958 1 1054 . 1 . 1 109 109 PRO CD C 13 51.561 0.032 . 1 . . . . A 109 PRO CD . 34958 1 1055 . 1 . 1 110 110 PHE H H 1 8.147 0.007 . 1 . . . . A 110 PHE H . 34958 1 1056 . 1 . 1 110 110 PHE HA H 1 5.873 0.007 . 1 . . . . A 110 PHE HA . 34958 1 1057 . 1 . 1 110 110 PHE HB2 H 1 2.802 0.018 . 2 . . . . A 110 PHE HB2 . 34958 1 1058 . 1 . 1 110 110 PHE HB3 H 1 2.923 0.008 . 2 . . . . A 110 PHE HB3 . 34958 1 1059 . 1 . 1 110 110 PHE HD1 H 1 6.903 0.016 . 1 . . . . A 110 PHE HD1 . 34958 1 1060 . 1 . 1 110 110 PHE HD2 H 1 6.903 0.016 . 1 . . . . A 110 PHE HD2 . 34958 1 1061 . 1 . 1 110 110 PHE HE1 H 1 6.942 0.005 . 1 . . . . A 110 PHE HE1 . 34958 1 1062 . 1 . 1 110 110 PHE HE2 H 1 6.942 0.005 . 1 . . . . A 110 PHE HE2 . 34958 1 1063 . 1 . 1 110 110 PHE HZ H 1 7.184 0.012 . 1 . . . . A 110 PHE HZ . 34958 1 1064 . 1 . 1 110 110 PHE CA C 13 54.437 0.068 . 1 . . . . A 110 PHE CA . 34958 1 1065 . 1 . 1 110 110 PHE CB C 13 43.928 0.117 . 1 . . . . A 110 PHE CB . 34958 1 1066 . 1 . 1 110 110 PHE CD1 C 13 132.400 0.044 . 1 . . . . A 110 PHE CD1 . 34958 1 1067 . 1 . 1 110 110 PHE CD2 C 13 132.400 0.044 . 1 . . . . A 110 PHE CD2 . 34958 1 1068 . 1 . 1 110 110 PHE CE1 C 13 130.319 0.095 . 1 . . . . A 110 PHE CE1 . 34958 1 1069 . 1 . 1 110 110 PHE CE2 C 13 130.319 0.095 . 1 . . . . A 110 PHE CE2 . 34958 1 1070 . 1 . 1 110 110 PHE CZ C 13 130.719 0.040 . 1 . . . . A 110 PHE CZ . 34958 1 1071 . 1 . 1 110 110 PHE N N 15 112.761 0.046 . 1 . . . . A 110 PHE N . 34958 1 1072 . 1 . 1 111 111 LEU H H 1 8.655 0.005 . 1 . . . . A 111 LEU H . 34958 1 1073 . 1 . 1 111 111 LEU HA H 1 4.605 0.012 . 1 . . . . A 111 LEU HA . 34958 1 1074 . 1 . 1 111 111 LEU HB2 H 1 1.336 0.005 . 2 . . . . A 111 LEU HB2 . 34958 1 1075 . 1 . 1 111 111 LEU HB3 H 1 1.256 0.002 . 2 . . . . A 111 LEU HB3 . 34958 1 1076 . 1 . 1 111 111 LEU HG H 1 1.334 0.002 . 1 . . . . A 111 LEU HG . 34958 1 1077 . 1 . 1 111 111 LEU HD11 H 1 0.518 0.003 . 2 . . . . A 111 LEU HD11 . 34958 1 1078 . 1 . 1 111 111 LEU HD12 H 1 0.518 0.003 . 2 . . . . A 111 LEU HD12 . 34958 1 1079 . 1 . 1 111 111 LEU HD13 H 1 0.518 0.003 . 2 . . . . A 111 LEU HD13 . 34958 1 1080 . 1 . 1 111 111 LEU HD21 H 1 0.516 0.004 . 2 . . . . A 111 LEU HD21 . 34958 1 1081 . 1 . 1 111 111 LEU HD22 H 1 0.516 0.004 . 2 . . . . A 111 LEU HD22 . 34958 1 1082 . 1 . 1 111 111 LEU HD23 H 1 0.516 0.004 . 2 . . . . A 111 LEU HD23 . 34958 1 1083 . 1 . 1 111 111 LEU CA C 13 54.134 0.112 . 1 . . . . A 111 LEU CA . 34958 1 1084 . 1 . 1 111 111 LEU CB C 13 44.133 0.062 . 1 . . . . A 111 LEU CB . 34958 1 1085 . 1 . 1 111 111 LEU CG C 13 29.728 0.039 . 1 . . . . A 111 LEU CG . 34958 1 1086 . 1 . 1 111 111 LEU CD1 C 13 25.279 0.020 . 2 . . . . A 111 LEU CD1 . 34958 1 1087 . 1 . 1 111 111 LEU CD2 C 13 26.241 0.024 . 2 . . . . A 111 LEU CD2 . 34958 1 1088 . 1 . 1 111 111 LEU N N 15 120.440 0.072 . 1 . . . . A 111 LEU N . 34958 1 1089 . 1 . 1 112 112 LEU H H 1 8.013 0.008 . 1 . . . . A 112 LEU H . 34958 1 1090 . 1 . 1 112 112 LEU HA H 1 5.321 0.010 . 1 . . . . A 112 LEU HA . 34958 1 1091 . 1 . 1 112 112 LEU HB2 H 1 2.059 0.010 . 2 . . . . A 112 LEU HB2 . 34958 1 1092 . 1 . 1 112 112 LEU HB3 H 1 1.454 0.008 . 2 . . . . A 112 LEU HB3 . 34958 1 1093 . 1 . 1 112 112 LEU HG H 1 1.954 0.007 . 1 . . . . A 112 LEU HG . 34958 1 1094 . 1 . 1 112 112 LEU HD11 H 1 0.981 0.009 . 2 . . . . A 112 LEU HD11 . 34958 1 1095 . 1 . 1 112 112 LEU HD12 H 1 0.981 0.009 . 2 . . . . A 112 LEU HD12 . 34958 1 1096 . 1 . 1 112 112 LEU HD13 H 1 0.981 0.009 . 2 . . . . A 112 LEU HD13 . 34958 1 1097 . 1 . 1 112 112 LEU HD21 H 1 1.121 0.010 . 2 . . . . A 112 LEU HD21 . 34958 1 1098 . 1 . 1 112 112 LEU HD22 H 1 1.121 0.010 . 2 . . . . A 112 LEU HD22 . 34958 1 1099 . 1 . 1 112 112 LEU HD23 H 1 1.121 0.010 . 2 . . . . A 112 LEU HD23 . 34958 1 1100 . 1 . 1 112 112 LEU CA C 13 53.790 0.050 . 1 . . . . A 112 LEU CA . 34958 1 1101 . 1 . 1 112 112 LEU CB C 13 44.471 0.067 . 1 . . . . A 112 LEU CB . 34958 1 1102 . 1 . 1 112 112 LEU CG C 13 28.257 0.037 . 1 . . . . A 112 LEU CG . 34958 1 1103 . 1 . 1 112 112 LEU CD1 C 13 25.989 0.061 . 2 . . . . A 112 LEU CD1 . 34958 1 1104 . 1 . 1 112 112 LEU CD2 C 13 25.815 0.035 . 2 . . . . A 112 LEU CD2 . 34958 1 1105 . 1 . 1 112 112 LEU N N 15 122.272 0.044 . 1 . . . . A 112 LEU N . 34958 1 1106 . 1 . 1 113 113 VAL H H 1 9.192 0.004 . 1 . . . . A 113 VAL H . 34958 1 1107 . 1 . 1 113 113 VAL HA H 1 4.828 0.008 . 1 . . . . A 113 VAL HA . 34958 1 1108 . 1 . 1 113 113 VAL HB H 1 2.041 0.012 . 1 . . . . A 113 VAL HB . 34958 1 1109 . 1 . 1 113 113 VAL HG11 H 1 0.338 0.007 . 2 . . . . A 113 VAL HG11 . 34958 1 1110 . 1 . 1 113 113 VAL HG12 H 1 0.338 0.007 . 2 . . . . A 113 VAL HG12 . 34958 1 1111 . 1 . 1 113 113 VAL HG13 H 1 0.338 0.007 . 2 . . . . A 113 VAL HG13 . 34958 1 1112 . 1 . 1 113 113 VAL HG21 H 1 0.426 0.004 . 2 . . . . A 113 VAL HG21 . 34958 1 1113 . 1 . 1 113 113 VAL HG22 H 1 0.426 0.004 . 2 . . . . A 113 VAL HG22 . 34958 1 1114 . 1 . 1 113 113 VAL HG23 H 1 0.426 0.004 . 2 . . . . A 113 VAL HG23 . 34958 1 1115 . 1 . 1 113 113 VAL CA C 13 59.764 0.003 . 1 . . . . A 113 VAL CA . 34958 1 1116 . 1 . 1 113 113 VAL CB C 13 33.960 0.140 . 1 . . . . A 113 VAL CB . 34958 1 1117 . 1 . 1 113 113 VAL CG1 C 13 20.867 0.035 . 2 . . . . A 113 VAL CG1 . 34958 1 1118 . 1 . 1 113 113 VAL CG2 C 13 21.765 0.042 . 2 . . . . A 113 VAL CG2 . 34958 1 1119 . 1 . 1 113 113 VAL N N 15 126.163 0.064 . 1 . . . . A 113 VAL N . 34958 1 1120 . 1 . 1 114 114 GLY H H 1 8.692 0.010 . 1 . . . . A 114 GLY H . 34958 1 1121 . 1 . 1 114 114 GLY HA2 H 1 3.172 0.008 . 2 . . . . A 114 GLY HA2 . 34958 1 1122 . 1 . 1 114 114 GLY HA3 H 1 3.616 0.006 . 2 . . . . A 114 GLY HA3 . 34958 1 1123 . 1 . 1 114 114 GLY CA C 13 44.183 0.058 . 1 . . . . A 114 GLY CA . 34958 1 1124 . 1 . 1 114 114 GLY N N 15 115.329 0.071 . 1 . . . . A 114 GLY N . 34958 1 1125 . 1 . 1 115 115 THR H H 1 9.134 0.006 . 1 . . . . A 115 THR H . 34958 1 1126 . 1 . 1 115 115 THR HA H 1 4.976 0.011 . 1 . . . . A 115 THR HA . 34958 1 1127 . 1 . 1 115 115 THR HB H 1 4.539 0.012 . 1 . . . . A 115 THR HB . 34958 1 1128 . 1 . 1 115 115 THR HG21 H 1 0.577 0.004 . 1 . . . . A 115 THR HG21 . 34958 1 1129 . 1 . 1 115 115 THR HG22 H 1 0.577 0.004 . 1 . . . . A 115 THR HG22 . 34958 1 1130 . 1 . 1 115 115 THR HG23 H 1 0.577 0.004 . 1 . . . . A 115 THR HG23 . 34958 1 1131 . 1 . 1 115 115 THR CA C 13 59.337 0.125 . 1 . . . . A 115 THR CA . 34958 1 1132 . 1 . 1 115 115 THR CB C 13 70.720 0.057 . 1 . . . . A 115 THR CB . 34958 1 1133 . 1 . 1 115 115 THR CG2 C 13 22.612 0.027 . 1 . . . . A 115 THR CG2 . 34958 1 1134 . 1 . 1 115 115 THR N N 15 115.673 0.040 . 1 . . . . A 115 THR N . 34958 1 1135 . 1 . 1 116 116 GLN H H 1 9.361 0.004 . 1 . . . . A 116 GLN H . 34958 1 1136 . 1 . 1 116 116 GLN HA H 1 3.970 0.006 . 1 . . . . A 116 GLN HA . 34958 1 1137 . 1 . 1 116 116 GLN HB2 H 1 1.780 0.008 . 2 . . . . A 116 GLN HB2 . 34958 1 1138 . 1 . 1 116 116 GLN HB3 H 1 2.418 0.004 . 2 . . . . A 116 GLN HB3 . 34958 1 1139 . 1 . 1 116 116 GLN HG2 H 1 2.424 0.006 . 1 . . . . A 116 GLN HG2 . 34958 1 1140 . 1 . 1 116 116 GLN CA C 13 56.323 0.050 . 1 . . . . A 116 GLN CA . 34958 1 1141 . 1 . 1 116 116 GLN CB C 13 24.098 0.011 . 1 . . . . A 116 GLN CB . 34958 1 1142 . 1 . 1 116 116 GLN CG C 13 31.501 0.001 . 1 . . . . A 116 GLN CG . 34958 1 1143 . 1 . 1 116 116 GLN N N 15 108.737 0.077 . 1 . . . . A 116 GLN N . 34958 1 1144 . 1 . 1 117 117 ILE H H 1 7.560 0.005 . 1 . . . . A 117 ILE H . 34958 1 1145 . 1 . 1 117 117 ILE HA H 1 3.749 0.012 . 1 . . . . A 117 ILE HA . 34958 1 1146 . 1 . 1 117 117 ILE HB H 1 1.940 0.007 . 1 . . . . A 117 ILE HB . 34958 1 1147 . 1 . 1 117 117 ILE HG12 H 1 1.113 0.010 . 2 . . . . A 117 ILE HG12 . 34958 1 1148 . 1 . 1 117 117 ILE HG13 H 1 0.710 0.004 . 2 . . . . A 117 ILE HG13 . 34958 1 1149 . 1 . 1 117 117 ILE HG21 H 1 0.713 0.005 . 1 . . . . A 117 ILE HG21 . 34958 1 1150 . 1 . 1 117 117 ILE HG22 H 1 0.713 0.005 . 1 . . . . A 117 ILE HG22 . 34958 1 1151 . 1 . 1 117 117 ILE HG23 H 1 0.713 0.005 . 1 . . . . A 117 ILE HG23 . 34958 1 1152 . 1 . 1 117 117 ILE HD11 H 1 0.442 0.006 . 1 . . . . A 117 ILE HD11 . 34958 1 1153 . 1 . 1 117 117 ILE HD12 H 1 0.442 0.006 . 1 . . . . A 117 ILE HD12 . 34958 1 1154 . 1 . 1 117 117 ILE HD13 H 1 0.442 0.006 . 1 . . . . A 117 ILE HD13 . 34958 1 1155 . 1 . 1 117 117 ILE CA C 13 64.861 0.030 . 1 . . . . A 117 ILE CA . 34958 1 1156 . 1 . 1 117 117 ILE CB C 13 36.551 0.047 . 1 . . . . A 117 ILE CB . 34958 1 1157 . 1 . 1 117 117 ILE CG1 C 13 25.280 0.059 . 1 . . . . A 117 ILE CG1 . 34958 1 1158 . 1 . 1 117 117 ILE CG2 C 13 16.734 0.033 . 1 . . . . A 117 ILE CG2 . 34958 1 1159 . 1 . 1 117 117 ILE CD1 C 13 13.394 0.040 . 1 . . . . A 117 ILE CD1 . 34958 1 1160 . 1 . 1 117 117 ILE N N 15 106.247 0.054 . 1 . . . . A 117 ILE N . 34958 1 1161 . 1 . 1 118 118 ASP H H 1 8.666 0.007 . 1 . . . . A 118 ASP H . 34958 1 1162 . 1 . 1 118 118 ASP HA H 1 4.391 0.008 . 1 . . . . A 118 ASP HA . 34958 1 1163 . 1 . 1 118 118 ASP HB2 H 1 2.565 0.019 . 2 . . . . A 118 ASP HB2 . 34958 1 1164 . 1 . 1 118 118 ASP HB3 H 1 2.591 0.013 . 2 . . . . A 118 ASP HB3 . 34958 1 1165 . 1 . 1 118 118 ASP CA C 13 55.503 0.075 . 1 . . . . A 118 ASP CA . 34958 1 1166 . 1 . 1 118 118 ASP CB C 13 40.507 0.101 . 1 . . . . A 118 ASP CB . 34958 1 1167 . 1 . 1 118 118 ASP N N 15 119.047 0.048 . 1 . . . . A 118 ASP N . 34958 1 1168 . 1 . 1 119 119 LEU H H 1 7.836 0.009 . 1 . . . . A 119 LEU H . 34958 1 1169 . 1 . 1 119 119 LEU HA H 1 4.279 0.006 . 1 . . . . A 119 LEU HA . 34958 1 1170 . 1 . 1 119 119 LEU HB2 H 1 1.939 0.011 . 2 . . . . A 119 LEU HB2 . 34958 1 1171 . 1 . 1 119 119 LEU HB3 H 1 1.733 0.011 . 2 . . . . A 119 LEU HB3 . 34958 1 1172 . 1 . 1 119 119 LEU HG H 1 1.551 0.005 . 1 . . . . A 119 LEU HG . 34958 1 1173 . 1 . 1 119 119 LEU HD11 H 1 0.839 0.006 . 2 . . . . A 119 LEU HD11 . 34958 1 1174 . 1 . 1 119 119 LEU HD12 H 1 0.839 0.006 . 2 . . . . A 119 LEU HD12 . 34958 1 1175 . 1 . 1 119 119 LEU HD13 H 1 0.839 0.006 . 2 . . . . A 119 LEU HD13 . 34958 1 1176 . 1 . 1 119 119 LEU HD21 H 1 0.692 0.005 . 2 . . . . A 119 LEU HD21 . 34958 1 1177 . 1 . 1 119 119 LEU HD22 H 1 0.692 0.005 . 2 . . . . A 119 LEU HD22 . 34958 1 1178 . 1 . 1 119 119 LEU HD23 H 1 0.692 0.005 . 2 . . . . A 119 LEU HD23 . 34958 1 1179 . 1 . 1 119 119 LEU CA C 13 55.359 0.044 . 1 . . . . A 119 LEU CA . 34958 1 1180 . 1 . 1 119 119 LEU CB C 13 41.770 0.128 . 1 . . . . A 119 LEU CB . 34958 1 1181 . 1 . 1 119 119 LEU CG C 13 26.904 0.138 . 1 . . . . A 119 LEU CG . 34958 1 1182 . 1 . 1 119 119 LEU CD1 C 13 25.664 0.035 . 2 . . . . A 119 LEU CD1 . 34958 1 1183 . 1 . 1 119 119 LEU CD2 C 13 21.605 0.043 . 2 . . . . A 119 LEU CD2 . 34958 1 1184 . 1 . 1 119 119 LEU N N 15 117.849 0.028 . 1 . . . . A 119 LEU N . 34958 1 1185 . 1 . 1 120 120 ARG H H 1 7.198 0.005 . 1 . . . . A 120 ARG H . 34958 1 1186 . 1 . 1 120 120 ARG HA H 1 3.511 0.007 . 1 . . . . A 120 ARG HA . 34958 1 1187 . 1 . 1 120 120 ARG HB2 H 1 1.715 0.004 . 2 . . . . A 120 ARG HB2 . 34958 1 1188 . 1 . 1 120 120 ARG HB3 H 1 1.542 0.010 . 2 . . . . A 120 ARG HB3 . 34958 1 1189 . 1 . 1 120 120 ARG HG2 H 1 1.266 0.007 . 2 . . . . A 120 ARG HG2 . 34958 1 1190 . 1 . 1 120 120 ARG HG3 H 1 1.549 0.007 . 2 . . . . A 120 ARG HG3 . 34958 1 1191 . 1 . 1 120 120 ARG HD2 H 1 2.998 0.006 . 2 . . . . A 120 ARG HD2 . 34958 1 1192 . 1 . 1 120 120 ARG HD3 H 1 3.187 0.001 . 2 . . . . A 120 ARG HD3 . 34958 1 1193 . 1 . 1 120 120 ARG CA C 13 60.302 0.054 . 1 . . . . A 120 ARG CA . 34958 1 1194 . 1 . 1 120 120 ARG CB C 13 30.376 0.088 . 1 . . . . A 120 ARG CB . 34958 1 1195 . 1 . 1 120 120 ARG CG C 13 29.215 0.032 . 1 . . . . A 120 ARG CG . 34958 1 1196 . 1 . 1 120 120 ARG CD C 13 44.131 0.037 . 1 . . . . A 120 ARG CD . 34958 1 1197 . 1 . 1 120 120 ARG N N 15 116.948 0.055 . 1 . . . . A 120 ARG N . 34958 1 1198 . 1 . 1 121 121 ASP H H 1 7.039 0.004 . 1 . . . . A 121 ASP H . 34958 1 1199 . 1 . 1 121 121 ASP HA H 1 4.730 0.007 . 1 . . . . A 121 ASP HA . 34958 1 1200 . 1 . 1 121 121 ASP HB2 H 1 2.788 0.007 . 2 . . . . A 121 ASP HB2 . 34958 1 1201 . 1 . 1 121 121 ASP HB3 H 1 2.394 0.013 . 2 . . . . A 121 ASP HB3 . 34958 1 1202 . 1 . 1 121 121 ASP CA C 13 52.784 0.050 . 1 . . . . A 121 ASP CA . 34958 1 1203 . 1 . 1 121 121 ASP CB C 13 41.577 0.067 . 1 . . . . A 121 ASP CB . 34958 1 1204 . 1 . 1 121 121 ASP N N 15 111.715 0.048 . 1 . . . . A 121 ASP N . 34958 1 1205 . 1 . 1 122 122 ASP H H 1 7.182 0.008 . 1 . . . . A 122 ASP H . 34958 1 1206 . 1 . 1 122 122 ASP HA H 1 4.908 0.009 . 1 . . . . A 122 ASP HA . 34958 1 1207 . 1 . 1 122 122 ASP HB2 H 1 3.001 0.006 . 2 . . . . A 122 ASP HB2 . 34958 1 1208 . 1 . 1 122 122 ASP HB3 H 1 2.707 0.020 . 2 . . . . A 122 ASP HB3 . 34958 1 1209 . 1 . 1 122 122 ASP CA C 13 51.562 0.061 . 1 . . . . A 122 ASP CA . 34958 1 1210 . 1 . 1 122 122 ASP CB C 13 43.697 0.082 . 1 . . . . A 122 ASP CB . 34958 1 1211 . 1 . 1 122 122 ASP N N 15 122.315 0.057 . 1 . . . . A 122 ASP N . 34958 1 1212 . 1 . 1 123 123 PRO HA H 1 4.089 0.007 . 1 . . . . A 123 PRO HA . 34958 1 1213 . 1 . 1 123 123 PRO HB2 H 1 2.309 0.009 . 2 . . . . A 123 PRO HB2 . 34958 1 1214 . 1 . 1 123 123 PRO HB3 H 1 1.939 0.006 . 2 . . . . A 123 PRO HB3 . 34958 1 1215 . 1 . 1 123 123 PRO HG2 H 1 2.126 0.007 . 2 . . . . A 123 PRO HG2 . 34958 1 1216 . 1 . 1 123 123 PRO HG3 H 1 1.935 0.008 . 2 . . . . A 123 PRO HG3 . 34958 1 1217 . 1 . 1 123 123 PRO HD2 H 1 3.812 0.008 . 2 . . . . A 123 PRO HD2 . 34958 1 1218 . 1 . 1 123 123 PRO HD3 H 1 4.318 0.009 . 2 . . . . A 123 PRO HD3 . 34958 1 1219 . 1 . 1 123 123 PRO CA C 13 65.873 0.032 . 1 . . . . A 123 PRO CA . 34958 1 1220 . 1 . 1 123 123 PRO CB C 13 32.313 0.043 . 1 . . . . A 123 PRO CB . 34958 1 1221 . 1 . 1 123 123 PRO CG C 13 27.616 0.064 . 1 . . . . A 123 PRO CG . 34958 1 1222 . 1 . 1 123 123 PRO CD C 13 51.422 0.060 . 1 . . . . A 123 PRO CD . 34958 1 1223 . 1 . 1 124 124 SER H H 1 8.248 0.008 . 1 . . . . A 124 SER H . 34958 1 1224 . 1 . 1 124 124 SER HA H 1 4.193 0.005 . 1 . . . . A 124 SER HA . 34958 1 1225 . 1 . 1 124 124 SER HB2 H 1 3.960 0.017 . 2 . . . . A 124 SER HB2 . 34958 1 1226 . 1 . 1 124 124 SER HB3 H 1 3.894 0.001 . 2 . . . . A 124 SER HB3 . 34958 1 1227 . 1 . 1 124 124 SER CA C 13 62.129 0.046 . 1 . . . . A 124 SER CA . 34958 1 1228 . 1 . 1 124 124 SER CB C 13 62.437 0.028 . 1 . . . . A 124 SER CB . 34958 1 1229 . 1 . 1 124 124 SER N N 15 112.593 0.034 . 1 . . . . A 124 SER N . 34958 1 1230 . 1 . 1 125 125 THR H H 1 7.839 0.005 . 1 . . . . A 125 THR H . 34958 1 1231 . 1 . 1 125 125 THR HA H 1 4.613 0.008 . 1 . . . . A 125 THR HA . 34958 1 1232 . 1 . 1 125 125 THR HB H 1 3.810 0.008 . 1 . . . . A 125 THR HB . 34958 1 1233 . 1 . 1 125 125 THR HG21 H 1 1.156 0.006 . 1 . . . . A 125 THR HG21 . 34958 1 1234 . 1 . 1 125 125 THR HG22 H 1 1.156 0.006 . 1 . . . . A 125 THR HG22 . 34958 1 1235 . 1 . 1 125 125 THR HG23 H 1 1.156 0.006 . 1 . . . . A 125 THR HG23 . 34958 1 1236 . 1 . 1 125 125 THR CA C 13 68.070 0.141 . 1 . . . . A 125 THR CA . 34958 1 1237 . 1 . 1 125 125 THR CB C 13 67.731 0.096 . 1 . . . . A 125 THR CB . 34958 1 1238 . 1 . 1 125 125 THR CG2 C 13 21.413 0.045 . 1 . . . . A 125 THR CG2 . 34958 1 1239 . 1 . 1 125 125 THR N N 15 121.929 0.049 . 1 . . . . A 125 THR N . 34958 1 1240 . 1 . 1 126 126 ILE H H 1 8.149 0.011 . 1 . . . . A 126 ILE H . 34958 1 1241 . 1 . 1 126 126 ILE HA H 1 3.483 0.005 . 1 . . . . A 126 ILE HA . 34958 1 1242 . 1 . 1 126 126 ILE HB H 1 1.870 0.007 . 1 . . . . A 126 ILE HB . 34958 1 1243 . 1 . 1 126 126 ILE HG12 H 1 1.144 0.006 . 2 . . . . A 126 ILE HG12 . 34958 1 1244 . 1 . 1 126 126 ILE HG13 H 1 1.467 0.009 . 2 . . . . A 126 ILE HG13 . 34958 1 1245 . 1 . 1 126 126 ILE HG21 H 1 0.862 0.004 . 1 . . . . A 126 ILE HG21 . 34958 1 1246 . 1 . 1 126 126 ILE HG22 H 1 0.862 0.004 . 1 . . . . A 126 ILE HG22 . 34958 1 1247 . 1 . 1 126 126 ILE HG23 H 1 0.862 0.004 . 1 . . . . A 126 ILE HG23 . 34958 1 1248 . 1 . 1 126 126 ILE HD11 H 1 0.716 0.006 . 1 . . . . A 126 ILE HD11 . 34958 1 1249 . 1 . 1 126 126 ILE HD12 H 1 0.716 0.006 . 1 . . . . A 126 ILE HD12 . 34958 1 1250 . 1 . 1 126 126 ILE HD13 H 1 0.716 0.006 . 1 . . . . A 126 ILE HD13 . 34958 1 1251 . 1 . 1 126 126 ILE CA C 13 65.025 0.048 . 1 . . . . A 126 ILE CA . 34958 1 1252 . 1 . 1 126 126 ILE CB C 13 37.343 0.096 . 1 . . . . A 126 ILE CB . 34958 1 1253 . 1 . 1 126 126 ILE CG1 C 13 28.708 0.061 . 1 . . . . A 126 ILE CG1 . 34958 1 1254 . 1 . 1 126 126 ILE CG2 C 13 17.307 0.024 . 1 . . . . A 126 ILE CG2 . 34958 1 1255 . 1 . 1 126 126 ILE CD1 C 13 12.188 0.039 . 1 . . . . A 126 ILE CD1 . 34958 1 1256 . 1 . 1 126 126 ILE N N 15 121.522 0.043 . 1 . . . . A 126 ILE N . 34958 1 1257 . 1 . 1 127 127 GLU H H 1 8.182 0.013 . 1 . . . . A 127 GLU H . 34958 1 1258 . 1 . 1 127 127 GLU HA H 1 4.065 0.003 . 1 . . . . A 127 GLU HA . 34958 1 1259 . 1 . 1 127 127 GLU HB2 H 1 2.024 0.008 . 2 . . . . A 127 GLU HB2 . 34958 1 1260 . 1 . 1 127 127 GLU HB3 H 1 2.031 0.007 . 2 . . . . A 127 GLU HB3 . 34958 1 1261 . 1 . 1 127 127 GLU HG2 H 1 2.278 0.006 . 2 . . . . A 127 GLU HG2 . 34958 1 1262 . 1 . 1 127 127 GLU HG3 H 1 2.161 0.003 . 2 . . . . A 127 GLU HG3 . 34958 1 1263 . 1 . 1 127 127 GLU CA C 13 59.334 0.072 . 1 . . . . A 127 GLU CA . 34958 1 1264 . 1 . 1 127 127 GLU CB C 13 29.607 0.053 . 1 . . . . A 127 GLU CB . 34958 1 1265 . 1 . 1 127 127 GLU CG C 13 36.158 0.053 . 1 . . . . A 127 GLU CG . 34958 1 1266 . 1 . 1 127 127 GLU N N 15 120.384 0.029 . 1 . . . . A 127 GLU N . 34958 1 1267 . 1 . 1 128 128 LYS H H 1 7.825 0.008 . 1 . . . . A 128 LYS H . 34958 1 1268 . 1 . 1 128 128 LYS HA H 1 3.918 0.004 . 1 . . . . A 128 LYS HA . 34958 1 1269 . 1 . 1 128 128 LYS HB2 H 1 1.944 0.006 . 1 . . . . A 128 LYS HB2 . 34958 1 1270 . 1 . 1 128 128 LYS HG2 H 1 1.349 0.006 . 2 . . . . A 128 LYS HG2 . 34958 1 1271 . 1 . 1 128 128 LYS HG3 H 1 1.566 0.006 . 2 . . . . A 128 LYS HG3 . 34958 1 1272 . 1 . 1 128 128 LYS HD2 H 1 1.646 0.003 . 1 . . . . A 128 LYS HD2 . 34958 1 1273 . 1 . 1 128 128 LYS HE2 H 1 2.910 0.009 . 1 . . . . A 128 LYS HE2 . 34958 1 1274 . 1 . 1 128 128 LYS CA C 13 60.001 0.066 . 1 . . . . A 128 LYS CA . 34958 1 1275 . 1 . 1 128 128 LYS CB C 13 32.300 0.109 . 1 . . . . A 128 LYS CB . 34958 1 1276 . 1 . 1 128 128 LYS CG C 13 25.210 0.019 . 1 . . . . A 128 LYS CG . 34958 1 1277 . 1 . 1 128 128 LYS CD C 13 29.532 0.068 . 1 . . . . A 128 LYS CD . 34958 1 1278 . 1 . 1 128 128 LYS CE C 13 42.228 0.030 . 1 . . . . A 128 LYS CE . 34958 1 1279 . 1 . 1 128 128 LYS N N 15 120.798 0.069 . 1 . . . . A 128 LYS N . 34958 1 1280 . 1 . 1 129 129 LEU H H 1 8.045 0.009 . 1 . . . . A 129 LEU H . 34958 1 1281 . 1 . 1 129 129 LEU HA H 1 4.049 0.006 . 1 . . . . A 129 LEU HA . 34958 1 1282 . 1 . 1 129 129 LEU HB2 H 1 0.986 0.007 . 2 . . . . A 129 LEU HB2 . 34958 1 1283 . 1 . 1 129 129 LEU HB3 H 1 1.769 0.015 . 2 . . . . A 129 LEU HB3 . 34958 1 1284 . 1 . 1 129 129 LEU HG H 1 1.779 0.008 . 1 . . . . A 129 LEU HG . 34958 1 1285 . 1 . 1 129 129 LEU HD11 H 1 0.730 0.006 . 2 . . . . A 129 LEU HD11 . 34958 1 1286 . 1 . 1 129 129 LEU HD12 H 1 0.730 0.006 . 2 . . . . A 129 LEU HD12 . 34958 1 1287 . 1 . 1 129 129 LEU HD13 H 1 0.730 0.006 . 2 . . . . A 129 LEU HD13 . 34958 1 1288 . 1 . 1 129 129 LEU HD21 H 1 0.598 0.008 . 2 . . . . A 129 LEU HD21 . 34958 1 1289 . 1 . 1 129 129 LEU HD22 H 1 0.598 0.008 . 2 . . . . A 129 LEU HD22 . 34958 1 1290 . 1 . 1 129 129 LEU HD23 H 1 0.598 0.008 . 2 . . . . A 129 LEU HD23 . 34958 1 1291 . 1 . 1 129 129 LEU CA C 13 57.978 0.040 . 1 . . . . A 129 LEU CA . 34958 1 1292 . 1 . 1 129 129 LEU CB C 13 41.933 0.094 . 1 . . . . A 129 LEU CB . 34958 1 1293 . 1 . 1 129 129 LEU CG C 13 27.230 0.021 . 1 . . . . A 129 LEU CG . 34958 1 1294 . 1 . 1 129 129 LEU CD1 C 13 22.628 0.035 . 2 . . . . A 129 LEU CD1 . 34958 1 1295 . 1 . 1 129 129 LEU CD2 C 13 25.291 0.025 . 2 . . . . A 129 LEU CD2 . 34958 1 1296 . 1 . 1 129 129 LEU N N 15 118.712 0.064 . 1 . . . . A 129 LEU N . 34958 1 1297 . 1 . 1 130 130 ALA H H 1 8.420 0.006 . 1 . . . . A 130 ALA H . 34958 1 1298 . 1 . 1 130 130 ALA HA H 1 4.213 0.004 . 1 . . . . A 130 ALA HA . 34958 1 1299 . 1 . 1 130 130 ALA HB1 H 1 1.517 0.006 . 1 . . . . A 130 ALA HB1 . 34958 1 1300 . 1 . 1 130 130 ALA HB2 H 1 1.517 0.006 . 1 . . . . A 130 ALA HB2 . 34958 1 1301 . 1 . 1 130 130 ALA HB3 H 1 1.517 0.006 . 1 . . . . A 130 ALA HB3 . 34958 1 1302 . 1 . 1 130 130 ALA CA C 13 55.451 0.071 . 1 . . . . A 130 ALA CA . 34958 1 1303 . 1 . 1 130 130 ALA CB C 13 17.853 0.079 . 1 . . . . A 130 ALA CB . 34958 1 1304 . 1 . 1 130 130 ALA N N 15 122.599 0.045 . 1 . . . . A 130 ALA N . 34958 1 1305 . 1 . 1 131 131 LYS H H 1 7.982 0.009 . 1 . . . . A 131 LYS H . 34958 1 1306 . 1 . 1 131 131 LYS HA H 1 4.044 0.003 . 1 . . . . A 131 LYS HA . 34958 1 1307 . 1 . 1 131 131 LYS HB2 H 1 1.887 0.007 . 1 . . . . A 131 LYS HB2 . 34958 1 1308 . 1 . 1 131 131 LYS HG2 H 1 1.477 0.010 . 2 . . . . A 131 LYS HG2 . 34958 1 1309 . 1 . 1 131 131 LYS HG3 H 1 1.631 0.005 . 2 . . . . A 131 LYS HG3 . 34958 1 1310 . 1 . 1 131 131 LYS HD2 H 1 1.639 0.005 . 1 . . . . A 131 LYS HD2 . 34958 1 1311 . 1 . 1 131 131 LYS HE2 H 1 2.923 0.002 . 1 . . . . A 131 LYS HE2 . 34958 1 1312 . 1 . 1 131 131 LYS CA C 13 59.173 0.025 . 1 . . . . A 131 LYS CA . 34958 1 1313 . 1 . 1 131 131 LYS CB C 13 32.259 0.098 . 1 . . . . A 131 LYS CB . 34958 1 1314 . 1 . 1 131 131 LYS CG C 13 25.339 0.021 . 1 . . . . A 131 LYS CG . 34958 1 1315 . 1 . 1 131 131 LYS CD C 13 29.177 0.021 . 1 . . . . A 131 LYS CD . 34958 1 1316 . 1 . 1 131 131 LYS CE C 13 42.258 0.039 . 1 . . . . A 131 LYS CE . 34958 1 1317 . 1 . 1 131 131 LYS N N 15 120.488 0.065 . 1 . . . . A 131 LYS N . 34958 1 1318 . 1 . 1 132 132 ASN H H 1 7.341 0.006 . 1 . . . . A 132 ASN H . 34958 1 1319 . 1 . 1 132 132 ASN HA H 1 4.917 0.004 . 1 . . . . A 132 ASN HA . 34958 1 1320 . 1 . 1 132 132 ASN HB2 H 1 2.961 0.006 . 2 . . . . A 132 ASN HB2 . 34958 1 1321 . 1 . 1 132 132 ASN HB3 H 1 2.516 0.009 . 2 . . . . A 132 ASN HB3 . 34958 1 1322 . 1 . 1 132 132 ASN HD21 H 1 6.844 0.005 . 1 . . . . A 132 ASN HD21 . 34958 1 1323 . 1 . 1 132 132 ASN HD22 H 1 7.357 0.004 . 1 . . . . A 132 ASN HD22 . 34958 1 1324 . 1 . 1 132 132 ASN CA C 13 52.255 0.028 . 1 . . . . A 132 ASN CA . 34958 1 1325 . 1 . 1 132 132 ASN CB C 13 39.433 0.079 . 1 . . . . A 132 ASN CB . 34958 1 1326 . 1 . 1 132 132 ASN N N 15 115.784 0.035 . 1 . . . . A 132 ASN N . 34958 1 1327 . 1 . 1 132 132 ASN ND2 N 15 112.411 0.069 . 1 . . . . A 132 ASN ND2 . 34958 1 1328 . 1 . 1 133 133 LYS H H 1 8.032 0.007 . 1 . . . . A 133 LYS H . 34958 1 1329 . 1 . 1 133 133 LYS HA H 1 3.868 0.007 . 1 . . . . A 133 LYS HA . 34958 1 1330 . 1 . 1 133 133 LYS HB2 H 1 1.910 0.008 . 2 . . . . A 133 LYS HB2 . 34958 1 1331 . 1 . 1 133 133 LYS HB3 H 1 2.001 0.017 . 2 . . . . A 133 LYS HB3 . 34958 1 1332 . 1 . 1 133 133 LYS HG2 H 1 1.340 0.004 . 2 . . . . A 133 LYS HG2 . 34958 1 1333 . 1 . 1 133 133 LYS HG3 H 1 1.288 0.000 . 2 . . . . A 133 LYS HG3 . 34958 1 1334 . 1 . 1 133 133 LYS HD2 H 1 1.591 0.007 . 2 . . . . A 133 LYS HD2 . 34958 1 1335 . 1 . 1 133 133 LYS HD3 H 1 1.646 0.004 . 2 . . . . A 133 LYS HD3 . 34958 1 1336 . 1 . 1 133 133 LYS HE2 H 1 2.936 0.016 . 1 . . . . A 133 LYS HE2 . 34958 1 1337 . 1 . 1 133 133 LYS CA C 13 57.292 0.088 . 1 . . . . A 133 LYS CA . 34958 1 1338 . 1 . 1 133 133 LYS CB C 13 28.802 0.085 . 1 . . . . A 133 LYS CB . 34958 1 1339 . 1 . 1 133 133 LYS CG C 13 25.229 0.043 . 1 . . . . A 133 LYS CG . 34958 1 1340 . 1 . 1 133 133 LYS CD C 13 29.077 0.059 . 1 . . . . A 133 LYS CD . 34958 1 1341 . 1 . 1 133 133 LYS CE C 13 42.253 0.040 . 1 . . . . A 133 LYS CE . 34958 1 1342 . 1 . 1 133 133 LYS N N 15 114.178 0.048 . 1 . . . . A 133 LYS N . 34958 1 1343 . 1 . 1 134 134 GLN H H 1 8.029 0.006 . 1 . . . . A 134 GLN H . 34958 1 1344 . 1 . 1 134 134 GLN HA H 1 4.692 0.007 . 1 . . . . A 134 GLN HA . 34958 1 1345 . 1 . 1 134 134 GLN HB2 H 1 1.802 0.011 . 2 . . . . A 134 GLN HB2 . 34958 1 1346 . 1 . 1 134 134 GLN HB3 H 1 1.949 0.016 . 2 . . . . A 134 GLN HB3 . 34958 1 1347 . 1 . 1 134 134 GLN HG2 H 1 2.333 0.007 . 2 . . . . A 134 GLN HG2 . 34958 1 1348 . 1 . 1 134 134 GLN HG3 H 1 2.275 0.005 . 2 . . . . A 134 GLN HG3 . 34958 1 1349 . 1 . 1 134 134 GLN HE21 H 1 6.744 0.011 . 1 . . . . A 134 GLN HE21 . 34958 1 1350 . 1 . 1 134 134 GLN HE22 H 1 7.390 0.004 . 1 . . . . A 134 GLN HE22 . 34958 1 1351 . 1 . 1 134 134 GLN CA C 13 53.882 0.104 . 1 . . . . A 134 GLN CA . 34958 1 1352 . 1 . 1 134 134 GLN CB C 13 33.344 0.002 . 1 . . . . A 134 GLN CB . 34958 1 1353 . 1 . 1 134 134 GLN CG C 13 33.654 0.044 . 1 . . . . A 134 GLN CG . 34958 1 1354 . 1 . 1 134 134 GLN N N 15 116.063 0.063 . 1 . . . . A 134 GLN N . 34958 1 1355 . 1 . 1 134 134 GLN NE2 N 15 110.255 0.041 . 1 . . . . A 134 GLN NE2 . 34958 1 1356 . 1 . 1 135 135 LYS H H 1 7.898 0.007 . 1 . . . . A 135 LYS H . 34958 1 1357 . 1 . 1 135 135 LYS HA H 1 4.700 0.006 . 1 . . . . A 135 LYS HA . 34958 1 1358 . 1 . 1 135 135 LYS HB2 H 1 1.810 0.006 . 2 . . . . A 135 LYS HB2 . 34958 1 1359 . 1 . 1 135 135 LYS HB3 H 1 1.538 0.012 . 2 . . . . A 135 LYS HB3 . 34958 1 1360 . 1 . 1 135 135 LYS HG2 H 1 1.275 0.007 . 1 . . . . A 135 LYS HG2 . 34958 1 1361 . 1 . 1 135 135 LYS HD2 H 1 1.553 0.007 . 1 . . . . A 135 LYS HD2 . 34958 1 1362 . 1 . 1 135 135 LYS HE2 H 1 2.887 0.008 . 1 . . . . A 135 LYS HE2 . 34958 1 1363 . 1 . 1 135 135 LYS CA C 13 54.120 0.038 . 1 . . . . A 135 LYS CA . 34958 1 1364 . 1 . 1 135 135 LYS CB C 13 34.253 0.050 . 1 . . . . A 135 LYS CB . 34958 1 1365 . 1 . 1 135 135 LYS CG C 13 24.345 0.016 . 1 . . . . A 135 LYS CG . 34958 1 1366 . 1 . 1 135 135 LYS CD C 13 29.346 0.006 . 1 . . . . A 135 LYS CD . 34958 1 1367 . 1 . 1 135 135 LYS CE C 13 42.165 0.005 . 1 . . . . A 135 LYS CE . 34958 1 1368 . 1 . 1 135 135 LYS N N 15 118.811 0.069 . 1 . . . . A 135 LYS N . 34958 1 1369 . 1 . 1 136 136 PRO HA H 1 4.339 0.005 . 1 . . . . A 136 PRO HA . 34958 1 1370 . 1 . 1 136 136 PRO HB2 H 1 1.690 0.017 . 2 . . . . A 136 PRO HB2 . 34958 1 1371 . 1 . 1 136 136 PRO HB3 H 1 1.948 0.006 . 2 . . . . A 136 PRO HB3 . 34958 1 1372 . 1 . 1 136 136 PRO HG2 H 1 1.569 0.009 . 2 . . . . A 136 PRO HG2 . 34958 1 1373 . 1 . 1 136 136 PRO HG3 H 1 2.158 0.011 . 2 . . . . A 136 PRO HG3 . 34958 1 1374 . 1 . 1 136 136 PRO HD2 H 1 3.613 0.013 . 1 . . . . A 136 PRO HD2 . 34958 1 1375 . 1 . 1 136 136 PRO CA C 13 62.426 0.030 . 1 . . . . A 136 PRO CA . 34958 1 1376 . 1 . 1 136 136 PRO CB C 13 32.312 0.059 . 1 . . . . A 136 PRO CB . 34958 1 1377 . 1 . 1 136 136 PRO CG C 13 27.436 0.060 . 1 . . . . A 136 PRO CG . 34958 1 1378 . 1 . 1 136 136 PRO CD C 13 50.325 0.036 . 1 . . . . A 136 PRO CD . 34958 1 1379 . 1 . 1 137 137 ILE H H 1 9.053 0.006 . 1 . . . . A 137 ILE H . 34958 1 1380 . 1 . 1 137 137 ILE HA H 1 3.847 0.004 . 1 . . . . A 137 ILE HA . 34958 1 1381 . 1 . 1 137 137 ILE HB H 1 1.778 0.009 . 1 . . . . A 137 ILE HB . 34958 1 1382 . 1 . 1 137 137 ILE HG12 H 1 0.828 0.006 . 2 . . . . A 137 ILE HG12 . 34958 1 1383 . 1 . 1 137 137 ILE HG13 H 1 1.180 0.006 . 2 . . . . A 137 ILE HG13 . 34958 1 1384 . 1 . 1 137 137 ILE HG21 H 1 0.180 0.005 . 1 . . . . A 137 ILE HG21 . 34958 1 1385 . 1 . 1 137 137 ILE HG22 H 1 0.180 0.005 . 1 . . . . A 137 ILE HG22 . 34958 1 1386 . 1 . 1 137 137 ILE HG23 H 1 0.180 0.005 . 1 . . . . A 137 ILE HG23 . 34958 1 1387 . 1 . 1 137 137 ILE HD11 H 1 0.399 0.003 . 1 . . . . A 137 ILE HD11 . 34958 1 1388 . 1 . 1 137 137 ILE HD12 H 1 0.399 0.003 . 1 . . . . A 137 ILE HD12 . 34958 1 1389 . 1 . 1 137 137 ILE HD13 H 1 0.399 0.003 . 1 . . . . A 137 ILE HD13 . 34958 1 1390 . 1 . 1 137 137 ILE CA C 13 59.952 0.031 . 1 . . . . A 137 ILE CA . 34958 1 1391 . 1 . 1 137 137 ILE CB C 13 37.139 0.064 . 1 . . . . A 137 ILE CB . 34958 1 1392 . 1 . 1 137 137 ILE CG1 C 13 27.315 0.024 . 1 . . . . A 137 ILE CG1 . 34958 1 1393 . 1 . 1 137 137 ILE CG2 C 13 17.334 0.021 . 1 . . . . A 137 ILE CG2 . 34958 1 1394 . 1 . 1 137 137 ILE CD1 C 13 10.592 0.035 . 1 . . . . A 137 ILE CD1 . 34958 1 1395 . 1 . 1 137 137 ILE N N 15 122.334 0.036 . 1 . . . . A 137 ILE N . 34958 1 1396 . 1 . 1 138 138 THR H H 1 7.933 0.007 . 1 . . . . A 138 THR H . 34958 1 1397 . 1 . 1 138 138 THR HA H 1 4.512 0.008 . 1 . . . . A 138 THR HA . 34958 1 1398 . 1 . 1 138 138 THR HB H 1 4.612 0.006 . 1 . . . . A 138 THR HB . 34958 1 1399 . 1 . 1 138 138 THR HG21 H 1 1.225 0.005 . 1 . . . . A 138 THR HG21 . 34958 1 1400 . 1 . 1 138 138 THR HG22 H 1 1.225 0.005 . 1 . . . . A 138 THR HG22 . 34958 1 1401 . 1 . 1 138 138 THR HG23 H 1 1.225 0.005 . 1 . . . . A 138 THR HG23 . 34958 1 1402 . 1 . 1 138 138 THR CA C 13 59.184 0.015 . 1 . . . . A 138 THR CA . 34958 1 1403 . 1 . 1 138 138 THR CB C 13 68.668 0.046 . 1 . . . . A 138 THR CB . 34958 1 1404 . 1 . 1 138 138 THR CG2 C 13 22.375 0.051 . 1 . . . . A 138 THR CG2 . 34958 1 1405 . 1 . 1 138 138 THR N N 15 118.625 0.038 . 1 . . . . A 138 THR N . 34958 1 1406 . 1 . 1 139 139 PRO HA H 1 4.024 0.008 . 1 . . . . A 139 PRO HA . 34958 1 1407 . 1 . 1 139 139 PRO HB2 H 1 2.413 0.005 . 2 . . . . A 139 PRO HB2 . 34958 1 1408 . 1 . 1 139 139 PRO HB3 H 1 1.847 0.009 . 2 . . . . A 139 PRO HB3 . 34958 1 1409 . 1 . 1 139 139 PRO HG2 H 1 2.122 0.009 . 2 . . . . A 139 PRO HG2 . 34958 1 1410 . 1 . 1 139 139 PRO HG3 H 1 2.273 0.005 . 2 . . . . A 139 PRO HG3 . 34958 1 1411 . 1 . 1 139 139 PRO HD2 H 1 3.711 0.011 . 2 . . . . A 139 PRO HD2 . 34958 1 1412 . 1 . 1 139 139 PRO HD3 H 1 3.817 0.005 . 2 . . . . A 139 PRO HD3 . 34958 1 1413 . 1 . 1 139 139 PRO CA C 13 65.630 0.077 . 1 . . . . A 139 PRO CA . 34958 1 1414 . 1 . 1 139 139 PRO CB C 13 31.640 0.102 . 1 . . . . A 139 PRO CB . 34958 1 1415 . 1 . 1 139 139 PRO CG C 13 27.876 0.058 . 1 . . . . A 139 PRO CG . 34958 1 1416 . 1 . 1 139 139 PRO CD C 13 50.813 0.021 . 1 . . . . A 139 PRO CD . 34958 1 1417 . 1 . 1 140 140 GLU H H 1 8.483 0.008 . 1 . . . . A 140 GLU H . 34958 1 1418 . 1 . 1 140 140 GLU HA H 1 3.916 0.004 . 1 . . . . A 140 GLU HA . 34958 1 1419 . 1 . 1 140 140 GLU HB2 H 1 1.965 0.008 . 2 . . . . A 140 GLU HB2 . 34958 1 1420 . 1 . 1 140 140 GLU HB3 H 1 1.814 0.004 . 2 . . . . A 140 GLU HB3 . 34958 1 1421 . 1 . 1 140 140 GLU HG2 H 1 2.260 0.006 . 2 . . . . A 140 GLU HG2 . 34958 1 1422 . 1 . 1 140 140 GLU HG3 H 1 2.188 0.005 . 2 . . . . A 140 GLU HG3 . 34958 1 1423 . 1 . 1 140 140 GLU CA C 13 60.280 0.073 . 1 . . . . A 140 GLU CA . 34958 1 1424 . 1 . 1 140 140 GLU CB C 13 28.828 0.126 . 1 . . . . A 140 GLU CB . 34958 1 1425 . 1 . 1 140 140 GLU CG C 13 36.785 0.059 . 1 . . . . A 140 GLU CG . 34958 1 1426 . 1 . 1 140 140 GLU N N 15 114.854 0.040 . 1 . . . . A 140 GLU N . 34958 1 1427 . 1 . 1 141 141 THR H H 1 7.510 0.005 . 1 . . . . A 141 THR H . 34958 1 1428 . 1 . 1 141 141 THR HA H 1 3.751 0.006 . 1 . . . . A 141 THR HA . 34958 1 1429 . 1 . 1 141 141 THR HB H 1 3.955 0.009 . 1 . . . . A 141 THR HB . 34958 1 1430 . 1 . 1 141 141 THR HG21 H 1 1.075 0.003 . 1 . . . . A 141 THR HG21 . 34958 1 1431 . 1 . 1 141 141 THR HG22 H 1 1.075 0.003 . 1 . . . . A 141 THR HG22 . 34958 1 1432 . 1 . 1 141 141 THR HG23 H 1 1.075 0.003 . 1 . . . . A 141 THR HG23 . 34958 1 1433 . 1 . 1 141 141 THR CA C 13 66.180 0.026 . 1 . . . . A 141 THR CA . 34958 1 1434 . 1 . 1 141 141 THR CB C 13 68.532 0.042 . 1 . . . . A 141 THR CB . 34958 1 1435 . 1 . 1 141 141 THR CG2 C 13 22.356 0.037 . 1 . . . . A 141 THR CG2 . 34958 1 1436 . 1 . 1 141 141 THR N N 15 118.414 0.036 . 1 . . . . A 141 THR N . 34958 1 1437 . 1 . 1 142 142 ALA H H 1 7.499 0.008 . 1 . . . . A 142 ALA H . 34958 1 1438 . 1 . 1 142 142 ALA HA H 1 3.811 0.008 . 1 . . . . A 142 ALA HA . 34958 1 1439 . 1 . 1 142 142 ALA HB1 H 1 0.545 0.006 . 1 . . . . A 142 ALA HB1 . 34958 1 1440 . 1 . 1 142 142 ALA HB2 H 1 0.545 0.006 . 1 . . . . A 142 ALA HB2 . 34958 1 1441 . 1 . 1 142 142 ALA HB3 H 1 0.545 0.006 . 1 . . . . A 142 ALA HB3 . 34958 1 1442 . 1 . 1 142 142 ALA CA C 13 55.317 0.037 . 1 . . . . A 142 ALA CA . 34958 1 1443 . 1 . 1 142 142 ALA CB C 13 17.218 0.060 . 1 . . . . A 142 ALA CB . 34958 1 1444 . 1 . 1 142 142 ALA N N 15 125.641 0.023 . 1 . . . . A 142 ALA N . 34958 1 1445 . 1 . 1 143 143 GLU H H 1 8.702 0.007 . 1 . . . . A 143 GLU H . 34958 1 1446 . 1 . 1 143 143 GLU HA H 1 3.679 0.007 . 1 . . . . A 143 GLU HA . 34958 1 1447 . 1 . 1 143 143 GLU HB2 H 1 2.044 0.006 . 2 . . . . A 143 GLU HB2 . 34958 1 1448 . 1 . 1 143 143 GLU HB3 H 1 1.891 0.006 . 2 . . . . A 143 GLU HB3 . 34958 1 1449 . 1 . 1 143 143 GLU HG2 H 1 2.444 0.007 . 2 . . . . A 143 GLU HG2 . 34958 1 1450 . 1 . 1 143 143 GLU HG3 H 1 2.294 0.007 . 2 . . . . A 143 GLU HG3 . 34958 1 1451 . 1 . 1 143 143 GLU CA C 13 59.642 0.084 . 1 . . . . A 143 GLU CA . 34958 1 1452 . 1 . 1 143 143 GLU CB C 13 29.483 0.074 . 1 . . . . A 143 GLU CB . 34958 1 1453 . 1 . 1 143 143 GLU CG C 13 36.997 0.030 . 1 . . . . A 143 GLU CG . 34958 1 1454 . 1 . 1 143 143 GLU N N 15 118.151 0.037 . 1 . . . . A 143 GLU N . 34958 1 1455 . 1 . 1 144 144 LYS H H 1 7.238 0.008 . 1 . . . . A 144 LYS H . 34958 1 1456 . 1 . 1 144 144 LYS HA H 1 3.880 0.007 . 1 . . . . A 144 LYS HA . 34958 1 1457 . 1 . 1 144 144 LYS HB2 H 1 1.892 0.010 . 2 . . . . A 144 LYS HB2 . 34958 1 1458 . 1 . 1 144 144 LYS HB3 H 1 1.802 0.007 . 2 . . . . A 144 LYS HB3 . 34958 1 1459 . 1 . 1 144 144 LYS HG2 H 1 1.461 0.007 . 2 . . . . A 144 LYS HG2 . 34958 1 1460 . 1 . 1 144 144 LYS HG3 H 1 1.342 0.001 . 2 . . . . A 144 LYS HG3 . 34958 1 1461 . 1 . 1 144 144 LYS HD2 H 1 1.651 0.001 . 1 . . . . A 144 LYS HD2 . 34958 1 1462 . 1 . 1 144 144 LYS HE2 H 1 2.923 0.009 . 1 . . . . A 144 LYS HE2 . 34958 1 1463 . 1 . 1 144 144 LYS CA C 13 59.520 0.048 . 1 . . . . A 144 LYS CA . 34958 1 1464 . 1 . 1 144 144 LYS CB C 13 32.143 0.071 . 1 . . . . A 144 LYS CB . 34958 1 1465 . 1 . 1 144 144 LYS CG C 13 25.317 0.021 . 1 . . . . A 144 LYS CG . 34958 1 1466 . 1 . 1 144 144 LYS CD C 13 29.034 0.002 . 1 . . . . A 144 LYS CD . 34958 1 1467 . 1 . 1 144 144 LYS CE C 13 42.248 0.043 . 1 . . . . A 144 LYS CE . 34958 1 1468 . 1 . 1 144 144 LYS N N 15 119.067 0.085 . 1 . . . . A 144 LYS N . 34958 1 1469 . 1 . 1 145 145 LEU H H 1 7.242 0.005 . 1 . . . . A 145 LEU H . 34958 1 1470 . 1 . 1 145 145 LEU HA H 1 4.074 0.010 . 1 . . . . A 145 LEU HA . 34958 1 1471 . 1 . 1 145 145 LEU HB2 H 1 1.422 0.012 . 2 . . . . A 145 LEU HB2 . 34958 1 1472 . 1 . 1 145 145 LEU HB3 H 1 1.703 0.012 . 2 . . . . A 145 LEU HB3 . 34958 1 1473 . 1 . 1 145 145 LEU HG H 1 1.304 0.009 . 1 . . . . A 145 LEU HG . 34958 1 1474 . 1 . 1 145 145 LEU HD11 H 1 0.021 0.009 . 2 . . . . A 145 LEU HD11 . 34958 1 1475 . 1 . 1 145 145 LEU HD12 H 1 0.021 0.009 . 2 . . . . A 145 LEU HD12 . 34958 1 1476 . 1 . 1 145 145 LEU HD13 H 1 0.021 0.009 . 2 . . . . A 145 LEU HD13 . 34958 1 1477 . 1 . 1 145 145 LEU HD21 H 1 0.692 0.005 . 2 . . . . A 145 LEU HD21 . 34958 1 1478 . 1 . 1 145 145 LEU HD22 H 1 0.692 0.005 . 2 . . . . A 145 LEU HD22 . 34958 1 1479 . 1 . 1 145 145 LEU HD23 H 1 0.692 0.005 . 2 . . . . A 145 LEU HD23 . 34958 1 1480 . 1 . 1 145 145 LEU CA C 13 57.977 0.051 . 1 . . . . A 145 LEU CA . 34958 1 1481 . 1 . 1 145 145 LEU CB C 13 40.753 0.118 . 1 . . . . A 145 LEU CB . 34958 1 1482 . 1 . 1 145 145 LEU CG C 13 26.782 0.056 . 1 . . . . A 145 LEU CG . 34958 1 1483 . 1 . 1 145 145 LEU CD1 C 13 26.059 0.027 . 2 . . . . A 145 LEU CD1 . 34958 1 1484 . 1 . 1 145 145 LEU CD2 C 13 23.524 0.019 . 2 . . . . A 145 LEU CD2 . 34958 1 1485 . 1 . 1 145 145 LEU N N 15 119.820 0.046 . 1 . . . . A 145 LEU N . 34958 1 1486 . 1 . 1 146 146 ALA H H 1 8.401 0.006 . 1 . . . . A 146 ALA H . 34958 1 1487 . 1 . 1 146 146 ALA HA H 1 3.652 0.009 . 1 . . . . A 146 ALA HA . 34958 1 1488 . 1 . 1 146 146 ALA HB1 H 1 1.370 0.004 . 1 . . . . A 146 ALA HB1 . 34958 1 1489 . 1 . 1 146 146 ALA HB2 H 1 1.370 0.004 . 1 . . . . A 146 ALA HB2 . 34958 1 1490 . 1 . 1 146 146 ALA HB3 H 1 1.370 0.004 . 1 . . . . A 146 ALA HB3 . 34958 1 1491 . 1 . 1 146 146 ALA CA C 13 55.580 0.048 . 1 . . . . A 146 ALA CA . 34958 1 1492 . 1 . 1 146 146 ALA CB C 13 18.315 0.049 . 1 . . . . A 146 ALA CB . 34958 1 1493 . 1 . 1 146 146 ALA N N 15 118.962 0.037 . 1 . . . . A 146 ALA N . 34958 1 1494 . 1 . 1 147 147 ARG H H 1 7.656 0.006 . 1 . . . . A 147 ARG H . 34958 1 1495 . 1 . 1 147 147 ARG HA H 1 4.091 0.004 . 1 . . . . A 147 ARG HA . 34958 1 1496 . 1 . 1 147 147 ARG HB2 H 1 1.891 0.014 . 2 . . . . A 147 ARG HB2 . 34958 1 1497 . 1 . 1 147 147 ARG HB3 H 1 1.921 0.014 . 2 . . . . A 147 ARG HB3 . 34958 1 1498 . 1 . 1 147 147 ARG HG2 H 1 1.526 0.005 . 2 . . . . A 147 ARG HG2 . 34958 1 1499 . 1 . 1 147 147 ARG HG3 H 1 1.785 0.003 . 2 . . . . A 147 ARG HG3 . 34958 1 1500 . 1 . 1 147 147 ARG HD2 H 1 3.205 0.007 . 2 . . . . A 147 ARG HD2 . 34958 1 1501 . 1 . 1 147 147 ARG HD3 H 1 3.129 0.004 . 2 . . . . A 147 ARG HD3 . 34958 1 1502 . 1 . 1 147 147 ARG CA C 13 59.204 0.073 . 1 . . . . A 147 ARG CA . 34958 1 1503 . 1 . 1 147 147 ARG CB C 13 30.230 0.132 . 1 . . . . A 147 ARG CB . 34958 1 1504 . 1 . 1 147 147 ARG CG C 13 27.621 0.037 . 1 . . . . A 147 ARG CG . 34958 1 1505 . 1 . 1 147 147 ARG CD C 13 43.631 0.032 . 1 . . . . A 147 ARG CD . 34958 1 1506 . 1 . 1 147 147 ARG N N 15 116.301 0.051 . 1 . . . . A 147 ARG N . 34958 1 1507 . 1 . 1 148 148 ASP H H 1 8.374 0.008 . 1 . . . . A 148 ASP H . 34958 1 1508 . 1 . 1 148 148 ASP HA H 1 4.262 0.006 . 1 . . . . A 148 ASP HA . 34958 1 1509 . 1 . 1 148 148 ASP HB2 H 1 2.771 0.006 . 2 . . . . A 148 ASP HB2 . 34958 1 1510 . 1 . 1 148 148 ASP HB3 H 1 2.581 0.004 . 2 . . . . A 148 ASP HB3 . 34958 1 1511 . 1 . 1 148 148 ASP CA C 13 57.560 0.043 . 1 . . . . A 148 ASP CA . 34958 1 1512 . 1 . 1 148 148 ASP CB C 13 40.465 0.072 . 1 . . . . A 148 ASP CB . 34958 1 1513 . 1 . 1 148 148 ASP N N 15 122.123 0.023 . 1 . . . . A 148 ASP N . 34958 1 1514 . 1 . 1 149 149 LEU H H 1 8.302 0.006 . 1 . . . . A 149 LEU H . 34958 1 1515 . 1 . 1 149 149 LEU HA H 1 4.293 0.008 . 1 . . . . A 149 LEU HA . 34958 1 1516 . 1 . 1 149 149 LEU HB2 H 1 1.703 0.009 . 2 . . . . A 149 LEU HB2 . 34958 1 1517 . 1 . 1 149 149 LEU HB3 H 1 1.820 0.008 . 2 . . . . A 149 LEU HB3 . 34958 1 1518 . 1 . 1 149 149 LEU HG H 1 1.821 0.009 . 1 . . . . A 149 LEU HG . 34958 1 1519 . 1 . 1 149 149 LEU HD11 H 1 0.732 0.005 . 2 . . . . A 149 LEU HD11 . 34958 1 1520 . 1 . 1 149 149 LEU HD12 H 1 0.732 0.005 . 2 . . . . A 149 LEU HD12 . 34958 1 1521 . 1 . 1 149 149 LEU HD13 H 1 0.732 0.005 . 2 . . . . A 149 LEU HD13 . 34958 1 1522 . 1 . 1 149 149 LEU HD21 H 1 0.655 0.006 . 2 . . . . A 149 LEU HD21 . 34958 1 1523 . 1 . 1 149 149 LEU HD22 H 1 0.655 0.006 . 2 . . . . A 149 LEU HD22 . 34958 1 1524 . 1 . 1 149 149 LEU HD23 H 1 0.655 0.006 . 2 . . . . A 149 LEU HD23 . 34958 1 1525 . 1 . 1 149 149 LEU CA C 13 54.383 0.063 . 1 . . . . A 149 LEU CA . 34958 1 1526 . 1 . 1 149 149 LEU CB C 13 41.952 0.097 . 1 . . . . A 149 LEU CB . 34958 1 1527 . 1 . 1 149 149 LEU CG C 13 26.039 0.038 . 1 . . . . A 149 LEU CG . 34958 1 1528 . 1 . 1 149 149 LEU CD1 C 13 21.884 0.043 . 2 . . . . A 149 LEU CD1 . 34958 1 1529 . 1 . 1 149 149 LEU CD2 C 13 27.170 0.038 . 2 . . . . A 149 LEU CD2 . 34958 1 1530 . 1 . 1 149 149 LEU N N 15 115.383 0.045 . 1 . . . . A 149 LEU N . 34958 1 1531 . 1 . 1 150 150 LYS H H 1 7.560 0.008 . 1 . . . . A 150 LYS H . 34958 1 1532 . 1 . 1 150 150 LYS HA H 1 3.703 0.006 . 1 . . . . A 150 LYS HA . 34958 1 1533 . 1 . 1 150 150 LYS HB2 H 1 2.182 0.009 . 2 . . . . A 150 LYS HB2 . 34958 1 1534 . 1 . 1 150 150 LYS HB3 H 1 1.782 0.006 . 2 . . . . A 150 LYS HB3 . 34958 1 1535 . 1 . 1 150 150 LYS HG2 H 1 1.269 0.005 . 1 . . . . A 150 LYS HG2 . 34958 1 1536 . 1 . 1 150 150 LYS HD2 H 1 1.598 0.006 . 2 . . . . A 150 LYS HD2 . 34958 1 1537 . 1 . 1 150 150 LYS HD3 H 1 1.668 0.002 . 2 . . . . A 150 LYS HD3 . 34958 1 1538 . 1 . 1 150 150 LYS HE2 H 1 2.962 0.009 . 1 . . . . A 150 LYS HE2 . 34958 1 1539 . 1 . 1 150 150 LYS CA C 13 57.480 0.044 . 1 . . . . A 150 LYS CA . 34958 1 1540 . 1 . 1 150 150 LYS CB C 13 28.100 0.055 . 1 . . . . A 150 LYS CB . 34958 1 1541 . 1 . 1 150 150 LYS CG C 13 24.927 0.042 . 1 . . . . A 150 LYS CG . 34958 1 1542 . 1 . 1 150 150 LYS CD C 13 29.106 0.036 . 1 . . . . A 150 LYS CD . 34958 1 1543 . 1 . 1 150 150 LYS CE C 13 42.391 0.044 . 1 . . . . A 150 LYS CE . 34958 1 1544 . 1 . 1 150 150 LYS N N 15 111.914 0.069 . 1 . . . . A 150 LYS N . 34958 1 1545 . 1 . 1 151 151 ALA H H 1 8.170 0.007 . 1 . . . . A 151 ALA H . 34958 1 1546 . 1 . 1 151 151 ALA HA H 1 2.929 0.005 . 1 . . . . A 151 ALA HA . 34958 1 1547 . 1 . 1 151 151 ALA HB1 H 1 1.012 0.006 . 1 . . . . A 151 ALA HB1 . 34958 1 1548 . 1 . 1 151 151 ALA HB2 H 1 1.012 0.006 . 1 . . . . A 151 ALA HB2 . 34958 1 1549 . 1 . 1 151 151 ALA HB3 H 1 1.012 0.006 . 1 . . . . A 151 ALA HB3 . 34958 1 1550 . 1 . 1 151 151 ALA CA C 13 51.293 0.048 . 1 . . . . A 151 ALA CA . 34958 1 1551 . 1 . 1 151 151 ALA CB C 13 20.275 0.051 . 1 . . . . A 151 ALA CB . 34958 1 1552 . 1 . 1 151 151 ALA N N 15 119.780 0.054 . 1 . . . . A 151 ALA N . 34958 1 1553 . 1 . 1 152 152 VAL H H 1 8.653 0.009 . 1 . . . . A 152 VAL H . 34958 1 1554 . 1 . 1 152 152 VAL HA H 1 3.430 0.005 . 1 . . . . A 152 VAL HA . 34958 1 1555 . 1 . 1 152 152 VAL HB H 1 1.600 0.009 . 1 . . . . A 152 VAL HB . 34958 1 1556 . 1 . 1 152 152 VAL HG11 H 1 0.835 0.005 . 2 . . . . A 152 VAL HG11 . 34958 1 1557 . 1 . 1 152 152 VAL HG12 H 1 0.835 0.005 . 2 . . . . A 152 VAL HG12 . 34958 1 1558 . 1 . 1 152 152 VAL HG13 H 1 0.835 0.005 . 2 . . . . A 152 VAL HG13 . 34958 1 1559 . 1 . 1 152 152 VAL HG21 H 1 0.929 0.005 . 2 . . . . A 152 VAL HG21 . 34958 1 1560 . 1 . 1 152 152 VAL HG22 H 1 0.929 0.005 . 2 . . . . A 152 VAL HG22 . 34958 1 1561 . 1 . 1 152 152 VAL HG23 H 1 0.929 0.005 . 2 . . . . A 152 VAL HG23 . 34958 1 1562 . 1 . 1 152 152 VAL CA C 13 66.084 0.035 . 1 . . . . A 152 VAL CA . 34958 1 1563 . 1 . 1 152 152 VAL CB C 13 32.709 0.064 . 1 . . . . A 152 VAL CB . 34958 1 1564 . 1 . 1 152 152 VAL CG1 C 13 21.528 0.025 . 2 . . . . A 152 VAL CG1 . 34958 1 1565 . 1 . 1 152 152 VAL CG2 C 13 22.827 0.039 . 2 . . . . A 152 VAL CG2 . 34958 1 1566 . 1 . 1 152 152 VAL N N 15 120.504 0.061 . 1 . . . . A 152 VAL N . 34958 1 1567 . 1 . 1 153 153 LYS H H 1 6.815 0.007 . 1 . . . . A 153 LYS H . 34958 1 1568 . 1 . 1 153 153 LYS HA H 1 4.249 0.007 . 1 . . . . A 153 LYS HA . 34958 1 1569 . 1 . 1 153 153 LYS HB2 H 1 1.879 0.006 . 2 . . . . A 153 LYS HB2 . 34958 1 1570 . 1 . 1 153 153 LYS HB3 H 1 1.644 0.007 . 2 . . . . A 153 LYS HB3 . 34958 1 1571 . 1 . 1 153 153 LYS HG2 H 1 1.133 0.006 . 1 . . . . A 153 LYS HG2 . 34958 1 1572 . 1 . 1 153 153 LYS HD2 H 1 1.395 0.009 . 1 . . . . A 153 LYS HD2 . 34958 1 1573 . 1 . 1 153 153 LYS HE2 H 1 2.705 0.010 . 2 . . . . A 153 LYS HE2 . 34958 1 1574 . 1 . 1 153 153 LYS HE3 H 1 2.793 0.006 . 2 . . . . A 153 LYS HE3 . 34958 1 1575 . 1 . 1 153 153 LYS CA C 13 55.038 0.090 . 1 . . . . A 153 LYS CA . 34958 1 1576 . 1 . 1 153 153 LYS CB C 13 34.927 0.107 . 1 . . . . A 153 LYS CB . 34958 1 1577 . 1 . 1 153 153 LYS CG C 13 23.684 0.034 . 1 . . . . A 153 LYS CG . 34958 1 1578 . 1 . 1 153 153 LYS CD C 13 28.640 0.046 . 1 . . . . A 153 LYS CD . 34958 1 1579 . 1 . 1 153 153 LYS CE C 13 41.508 0.055 . 1 . . . . A 153 LYS CE . 34958 1 1580 . 1 . 1 153 153 LYS N N 15 108.976 0.031 . 1 . . . . A 153 LYS N . 34958 1 1581 . 1 . 1 154 154 TYR H H 1 8.531 0.007 . 1 . . . . A 154 TYR H . 34958 1 1582 . 1 . 1 154 154 TYR HA H 1 5.713 0.006 . 1 . . . . A 154 TYR HA . 34958 1 1583 . 1 . 1 154 154 TYR HB2 H 1 2.684 0.011 . 2 . . . . A 154 TYR HB2 . 34958 1 1584 . 1 . 1 154 154 TYR HB3 H 1 2.654 0.014 . 2 . . . . A 154 TYR HB3 . 34958 1 1585 . 1 . 1 154 154 TYR HD1 H 1 6.942 0.009 . 1 . . . . A 154 TYR HD1 . 34958 1 1586 . 1 . 1 154 154 TYR HD2 H 1 6.942 0.009 . 1 . . . . A 154 TYR HD2 . 34958 1 1587 . 1 . 1 154 154 TYR HE1 H 1 6.645 0.007 . 1 . . . . A 154 TYR HE1 . 34958 1 1588 . 1 . 1 154 154 TYR HE2 H 1 6.645 0.007 . 1 . . . . A 154 TYR HE2 . 34958 1 1589 . 1 . 1 154 154 TYR HH H 1 10.605 0.010 . 1 . . . . A 154 TYR HH . 34958 1 1590 . 1 . 1 154 154 TYR CA C 13 56.109 0.065 . 1 . . . . A 154 TYR CA . 34958 1 1591 . 1 . 1 154 154 TYR CB C 13 40.611 0.091 . 1 . . . . A 154 TYR CB . 34958 1 1592 . 1 . 1 154 154 TYR CD1 C 13 132.918 0.046 . 1 . . . . A 154 TYR CD1 . 34958 1 1593 . 1 . 1 154 154 TYR CD2 C 13 132.918 0.046 . 1 . . . . A 154 TYR CD2 . 34958 1 1594 . 1 . 1 154 154 TYR CE1 C 13 118.192 0.069 . 1 . . . . A 154 TYR CE1 . 34958 1 1595 . 1 . 1 154 154 TYR CE2 C 13 118.192 0.069 . 1 . . . . A 154 TYR CE2 . 34958 1 1596 . 1 . 1 154 154 TYR N N 15 120.514 0.043 . 1 . . . . A 154 TYR N . 34958 1 1597 . 1 . 1 155 155 VAL H H 1 8.203 0.006 . 1 . . . . A 155 VAL H . 34958 1 1598 . 1 . 1 155 155 VAL HA H 1 4.026 0.003 . 1 . . . . A 155 VAL HA . 34958 1 1599 . 1 . 1 155 155 VAL HB H 1 1.829 0.006 . 1 . . . . A 155 VAL HB . 34958 1 1600 . 1 . 1 155 155 VAL HG11 H 1 0.517 0.007 . 2 . . . . A 155 VAL HG11 . 34958 1 1601 . 1 . 1 155 155 VAL HG12 H 1 0.517 0.007 . 2 . . . . A 155 VAL HG12 . 34958 1 1602 . 1 . 1 155 155 VAL HG13 H 1 0.517 0.007 . 2 . . . . A 155 VAL HG13 . 34958 1 1603 . 1 . 1 155 155 VAL HG21 H 1 0.548 0.004 . 2 . . . . A 155 VAL HG21 . 34958 1 1604 . 1 . 1 155 155 VAL HG22 H 1 0.548 0.004 . 2 . . . . A 155 VAL HG22 . 34958 1 1605 . 1 . 1 155 155 VAL HG23 H 1 0.548 0.004 . 2 . . . . A 155 VAL HG23 . 34958 1 1606 . 1 . 1 155 155 VAL CA C 13 58.533 0.036 . 1 . . . . A 155 VAL CA . 34958 1 1607 . 1 . 1 155 155 VAL CB C 13 35.104 0.033 . 1 . . . . A 155 VAL CB . 34958 1 1608 . 1 . 1 155 155 VAL CG1 C 13 21.361 0.023 . 2 . . . . A 155 VAL CG1 . 34958 1 1609 . 1 . 1 155 155 VAL CG2 C 13 22.928 0.035 . 2 . . . . A 155 VAL CG2 . 34958 1 1610 . 1 . 1 155 155 VAL N N 15 121.848 0.044 . 1 . . . . A 155 VAL N . 34958 1 1611 . 1 . 1 156 156 GLU H H 1 7.873 0.010 . 1 . . . . A 156 GLU H . 34958 1 1612 . 1 . 1 156 156 GLU HA H 1 5.347 0.013 . 1 . . . . A 156 GLU HA . 34958 1 1613 . 1 . 1 156 156 GLU HB2 H 1 1.931 0.012 . 2 . . . . A 156 GLU HB2 . 34958 1 1614 . 1 . 1 156 156 GLU HB3 H 1 1.625 0.008 . 2 . . . . A 156 GLU HB3 . 34958 1 1615 . 1 . 1 156 156 GLU HG2 H 1 2.154 0.008 . 2 . . . . A 156 GLU HG2 . 34958 1 1616 . 1 . 1 156 156 GLU HG3 H 1 1.761 0.010 . 2 . . . . A 156 GLU HG3 . 34958 1 1617 . 1 . 1 156 156 GLU CA C 13 53.771 0.019 . 1 . . . . A 156 GLU CA . 34958 1 1618 . 1 . 1 156 156 GLU CB C 13 32.083 0.094 . 1 . . . . A 156 GLU CB . 34958 1 1619 . 1 . 1 156 156 GLU CG C 13 34.346 0.081 . 1 . . . . A 156 GLU CG . 34958 1 1620 . 1 . 1 156 156 GLU N N 15 113.478 0.072 . 1 . . . . A 156 GLU N . 34958 1 1621 . 1 . 1 157 157 CYS H H 1 8.779 0.007 . 1 . . . . A 157 CYS H . 34958 1 1622 . 1 . 1 157 157 CYS HA H 1 5.235 0.011 . 1 . . . . A 157 CYS HA . 34958 1 1623 . 1 . 1 157 157 CYS HB2 H 1 2.697 0.010 . 2 . . . . A 157 CYS HB2 . 34958 1 1624 . 1 . 1 157 157 CYS HB3 H 1 2.337 0.013 . 2 . . . . A 157 CYS HB3 . 34958 1 1625 . 1 . 1 157 157 CYS HG H 1 1.111 0.009 . 1 . . . . A 157 CYS HG . 34958 1 1626 . 1 . 1 157 157 CYS CA C 13 55.959 0.069 . 1 . . . . A 157 CYS CA . 34958 1 1627 . 1 . 1 157 157 CYS CB C 13 32.175 0.084 . 1 . . . . A 157 CYS CB . 34958 1 1628 . 1 . 1 157 157 CYS N N 15 112.182 0.082 . 1 . . . . A 157 CYS N . 34958 1 1629 . 1 . 1 158 158 SER H H 1 8.174 0.012 . 1 . . . . A 158 SER H . 34958 1 1630 . 1 . 1 158 158 SER HA H 1 5.200 0.019 . 1 . . . . A 158 SER HA . 34958 1 1631 . 1 . 1 158 158 SER HB2 H 1 4.204 0.025 . 1 . . . . A 158 SER HB2 . 34958 1 1632 . 1 . 1 158 158 SER CA C 13 55.944 0.083 . 1 . . . . A 158 SER CA . 34958 1 1633 . 1 . 1 158 158 SER CB C 13 65.170 0.114 . 1 . . . . A 158 SER CB . 34958 1 1634 . 1 . 1 158 158 SER N N 15 110.498 0.065 . 1 . . . . A 158 SER N . 34958 1 1635 . 1 . 1 159 159 ALA H H 1 9.253 0.011 . 1 . . . . A 159 ALA H . 34958 1 1636 . 1 . 1 159 159 ALA HA H 1 4.128 0.007 . 1 . . . . A 159 ALA HA . 34958 1 1637 . 1 . 1 159 159 ALA HB1 H 1 1.634 0.007 . 1 . . . . A 159 ALA HB1 . 34958 1 1638 . 1 . 1 159 159 ALA HB2 H 1 1.634 0.007 . 1 . . . . A 159 ALA HB2 . 34958 1 1639 . 1 . 1 159 159 ALA HB3 H 1 1.634 0.007 . 1 . . . . A 159 ALA HB3 . 34958 1 1640 . 1 . 1 159 159 ALA CA C 13 54.586 0.036 . 1 . . . . A 159 ALA CA . 34958 1 1641 . 1 . 1 159 159 ALA CB C 13 19.999 0.057 . 1 . . . . A 159 ALA CB . 34958 1 1642 . 1 . 1 159 159 ALA N N 15 132.552 0.046 . 1 . . . . A 159 ALA N . 34958 1 1643 . 1 . 1 160 160 LEU H H 1 7.318 0.011 . 1 . . . . A 160 LEU H . 34958 1 1644 . 1 . 1 160 160 LEU HA H 1 3.225 0.006 . 1 . . . . A 160 LEU HA . 34958 1 1645 . 1 . 1 160 160 LEU HB2 H 1 0.328 0.016 . 2 . . . . A 160 LEU HB2 . 34958 1 1646 . 1 . 1 160 160 LEU HB3 H 1 1.096 0.014 . 2 . . . . A 160 LEU HB3 . 34958 1 1647 . 1 . 1 160 160 LEU HG H 1 0.816 0.005 . 1 . . . . A 160 LEU HG . 34958 1 1648 . 1 . 1 160 160 LEU HD11 H 1 -0.109 0.007 . 2 . . . . A 160 LEU HD11 . 34958 1 1649 . 1 . 1 160 160 LEU HD12 H 1 -0.109 0.007 . 2 . . . . A 160 LEU HD12 . 34958 1 1650 . 1 . 1 160 160 LEU HD13 H 1 -0.109 0.007 . 2 . . . . A 160 LEU HD13 . 34958 1 1651 . 1 . 1 160 160 LEU HD21 H 1 0.477 0.004 . 2 . . . . A 160 LEU HD21 . 34958 1 1652 . 1 . 1 160 160 LEU HD22 H 1 0.477 0.004 . 2 . . . . A 160 LEU HD22 . 34958 1 1653 . 1 . 1 160 160 LEU HD23 H 1 0.477 0.004 . 2 . . . . A 160 LEU HD23 . 34958 1 1654 . 1 . 1 160 160 LEU CA C 13 57.397 0.043 . 1 . . . . A 160 LEU CA . 34958 1 1655 . 1 . 1 160 160 LEU CB C 13 43.203 0.084 . 1 . . . . A 160 LEU CB . 34958 1 1656 . 1 . 1 160 160 LEU CG C 13 26.521 0.058 . 1 . . . . A 160 LEU CG . 34958 1 1657 . 1 . 1 160 160 LEU CD1 C 13 22.491 0.035 . 2 . . . . A 160 LEU CD1 . 34958 1 1658 . 1 . 1 160 160 LEU CD2 C 13 25.784 0.030 . 2 . . . . A 160 LEU CD2 . 34958 1 1659 . 1 . 1 160 160 LEU N N 15 117.800 0.047 . 1 . . . . A 160 LEU N . 34958 1 1660 . 1 . 1 161 161 THR H H 1 7.995 0.010 . 1 . . . . A 161 THR H . 34958 1 1661 . 1 . 1 161 161 THR HA H 1 4.139 0.008 . 1 . . . . A 161 THR HA . 34958 1 1662 . 1 . 1 161 161 THR HB H 1 4.371 0.008 . 1 . . . . A 161 THR HB . 34958 1 1663 . 1 . 1 161 161 THR HG1 H 1 5.355 0.009 . 1 . . . . A 161 THR HG1 . 34958 1 1664 . 1 . 1 161 161 THR HG21 H 1 1.063 0.006 . 1 . . . . A 161 THR HG21 . 34958 1 1665 . 1 . 1 161 161 THR HG22 H 1 1.063 0.006 . 1 . . . . A 161 THR HG22 . 34958 1 1666 . 1 . 1 161 161 THR HG23 H 1 1.063 0.006 . 1 . . . . A 161 THR HG23 . 34958 1 1667 . 1 . 1 161 161 THR CA C 13 61.636 0.057 . 1 . . . . A 161 THR CA . 34958 1 1668 . 1 . 1 161 161 THR CB C 13 69.869 0.056 . 1 . . . . A 161 THR CB . 34958 1 1669 . 1 . 1 161 161 THR CG2 C 13 21.514 0.040 . 1 . . . . A 161 THR CG2 . 34958 1 1670 . 1 . 1 161 161 THR N N 15 106.352 0.056 . 1 . . . . A 161 THR N . 34958 1 1671 . 1 . 1 162 162 GLN H H 1 7.490 0.007 . 1 . . . . A 162 GLN H . 34958 1 1672 . 1 . 1 162 162 GLN HA H 1 3.998 0.007 . 1 . . . . A 162 GLN HA . 34958 1 1673 . 1 . 1 162 162 GLN HB2 H 1 2.504 0.009 . 1 . . . . A 162 GLN HB2 . 34958 1 1674 . 1 . 1 162 162 GLN HG2 H 1 2.353 0.007 . 2 . . . . A 162 GLN HG2 . 34958 1 1675 . 1 . 1 162 162 GLN HG3 H 1 2.100 0.011 . 2 . . . . A 162 GLN HG3 . 34958 1 1676 . 1 . 1 162 162 GLN HE21 H 1 7.739 0.004 . 1 . . . . A 162 GLN HE21 . 34958 1 1677 . 1 . 1 162 162 GLN HE22 H 1 7.466 0.010 . 1 . . . . A 162 GLN HE22 . 34958 1 1678 . 1 . 1 162 162 GLN CA C 13 59.182 0.040 . 1 . . . . A 162 GLN CA . 34958 1 1679 . 1 . 1 162 162 GLN CB C 13 24.887 0.030 . 1 . . . . A 162 GLN CB . 34958 1 1680 . 1 . 1 162 162 GLN CG C 13 34.688 0.046 . 1 . . . . A 162 GLN CG . 34958 1 1681 . 1 . 1 162 162 GLN N N 15 113.771 0.037 . 1 . . . . A 162 GLN N . 34958 1 1682 . 1 . 1 162 162 GLN NE2 N 15 110.139 0.042 . 1 . . . . A 162 GLN NE2 . 34958 1 1683 . 1 . 1 163 163 LYS H H 1 7.819 0.007 . 1 . . . . A 163 LYS H . 34958 1 1684 . 1 . 1 163 163 LYS HA H 1 4.090 0.006 . 1 . . . . A 163 LYS HA . 34958 1 1685 . 1 . 1 163 163 LYS HB2 H 1 1.685 0.006 . 2 . . . . A 163 LYS HB2 . 34958 1 1686 . 1 . 1 163 163 LYS HB3 H 1 1.503 0.011 . 2 . . . . A 163 LYS HB3 . 34958 1 1687 . 1 . 1 163 163 LYS HG2 H 1 1.329 0.012 . 2 . . . . A 163 LYS HG2 . 34958 1 1688 . 1 . 1 163 163 LYS HG3 H 1 1.250 0.010 . 2 . . . . A 163 LYS HG3 . 34958 1 1689 . 1 . 1 163 163 LYS HE2 H 1 2.843 0.009 . 1 . . . . A 163 LYS HE2 . 34958 1 1690 . 1 . 1 163 163 LYS CA C 13 58.187 0.075 . 1 . . . . A 163 LYS CA . 34958 1 1691 . 1 . 1 163 163 LYS CB C 13 32.230 0.038 . 1 . . . . A 163 LYS CB . 34958 1 1692 . 1 . 1 163 163 LYS CG C 13 24.817 0.046 . 1 . . . . A 163 LYS CG . 34958 1 1693 . 1 . 1 163 163 LYS CE C 13 42.275 0.030 . 1 . . . . A 163 LYS CE . 34958 1 1694 . 1 . 1 163 163 LYS N N 15 124.363 0.058 . 1 . . . . A 163 LYS N . 34958 1 1695 . 1 . 1 164 164 GLY H H 1 8.910 0.008 . 1 . . . . A 164 GLY H . 34958 1 1696 . 1 . 1 164 164 GLY HA2 H 1 4.226 0.006 . 2 . . . . A 164 GLY HA2 . 34958 1 1697 . 1 . 1 164 164 GLY HA3 H 1 3.714 0.003 . 2 . . . . A 164 GLY HA3 . 34958 1 1698 . 1 . 1 164 164 GLY CA C 13 46.338 0.052 . 1 . . . . A 164 GLY CA . 34958 1 1699 . 1 . 1 164 164 GLY N N 15 114.728 0.052 . 1 . . . . A 164 GLY N . 34958 1 1700 . 1 . 1 165 165 LEU H H 1 7.396 0.012 . 1 . . . . A 165 LEU H . 34958 1 1701 . 1 . 1 165 165 LEU HA H 1 3.662 0.010 . 1 . . . . A 165 LEU HA . 34958 1 1702 . 1 . 1 165 165 LEU HB2 H 1 2.043 0.015 . 2 . . . . A 165 LEU HB2 . 34958 1 1703 . 1 . 1 165 165 LEU HB3 H 1 1.114 0.014 . 2 . . . . A 165 LEU HB3 . 34958 1 1704 . 1 . 1 165 165 LEU HG H 1 1.770 0.006 . 1 . . . . A 165 LEU HG . 34958 1 1705 . 1 . 1 165 165 LEU HD11 H 1 1.083 0.008 . 2 . . . . A 165 LEU HD11 . 34958 1 1706 . 1 . 1 165 165 LEU HD12 H 1 1.083 0.008 . 2 . . . . A 165 LEU HD12 . 34958 1 1707 . 1 . 1 165 165 LEU HD13 H 1 1.083 0.008 . 2 . . . . A 165 LEU HD13 . 34958 1 1708 . 1 . 1 165 165 LEU HD21 H 1 1.150 0.012 . 2 . . . . A 165 LEU HD21 . 34958 1 1709 . 1 . 1 165 165 LEU HD22 H 1 1.150 0.012 . 2 . . . . A 165 LEU HD22 . 34958 1 1710 . 1 . 1 165 165 LEU HD23 H 1 1.150 0.012 . 2 . . . . A 165 LEU HD23 . 34958 1 1711 . 1 . 1 165 165 LEU CA C 13 58.912 0.057 . 1 . . . . A 165 LEU CA . 34958 1 1712 . 1 . 1 165 165 LEU CB C 13 44.377 0.121 . 1 . . . . A 165 LEU CB . 34958 1 1713 . 1 . 1 165 165 LEU CG C 13 27.591 0.085 . 1 . . . . A 165 LEU CG . 34958 1 1714 . 1 . 1 165 165 LEU CD1 C 13 26.161 0.099 . 2 . . . . A 165 LEU CD1 . 34958 1 1715 . 1 . 1 165 165 LEU CD2 C 13 25.619 0.029 . 2 . . . . A 165 LEU CD2 . 34958 1 1716 . 1 . 1 165 165 LEU N N 15 121.630 0.051 . 1 . . . . A 165 LEU N . 34958 1 1717 . 1 . 1 166 166 LYS H H 1 7.904 0.005 . 1 . . . . A 166 LYS H . 34958 1 1718 . 1 . 1 166 166 LYS HA H 1 3.062 0.009 . 1 . . . . A 166 LYS HA . 34958 1 1719 . 1 . 1 166 166 LYS HB2 H 1 0.806 0.002 . 2 . . . . A 166 LYS HB2 . 34958 1 1720 . 1 . 1 166 166 LYS HB3 H 1 0.559 0.000 . 2 . . . . A 166 LYS HB3 . 34958 1 1721 . 1 . 1 166 166 LYS HG2 H 1 -0.857 0.000 . 2 . . . . A 166 LYS HG2 . 34958 1 1722 . 1 . 1 166 166 LYS HG3 H 1 1.089 0.000 . 2 . . . . A 166 LYS HG3 . 34958 1 1723 . 1 . 1 166 166 LYS CA C 13 60.122 0.068 . 1 . . . . A 166 LYS CA . 34958 1 1724 . 1 . 1 166 166 LYS N N 15 117.317 0.037 . 1 . . . . A 166 LYS N . 34958 1 1725 . 1 . 1 167 167 ASN H H 1 7.702 0.008 . 1 . . . . A 167 ASN H . 34958 1 1726 . 1 . 1 167 167 ASN HA H 1 4.133 0.007 . 1 . . . . A 167 ASN HA . 34958 1 1727 . 1 . 1 167 167 ASN HB2 H 1 2.528 0.004 . 1 . . . . A 167 ASN HB2 . 34958 1 1728 . 1 . 1 167 167 ASN HD21 H 1 7.831 0.006 . 1 . . . . A 167 ASN HD21 . 34958 1 1729 . 1 . 1 167 167 ASN HD22 H 1 7.214 0.008 . 1 . . . . A 167 ASN HD22 . 34958 1 1730 . 1 . 1 167 167 ASN CA C 13 56.685 0.031 . 1 . . . . A 167 ASN CA . 34958 1 1731 . 1 . 1 167 167 ASN CB C 13 38.638 0.042 . 1 . . . . A 167 ASN CB . 34958 1 1732 . 1 . 1 167 167 ASN N N 15 113.728 0.031 . 1 . . . . A 167 ASN N . 34958 1 1733 . 1 . 1 167 167 ASN ND2 N 15 114.051 0.049 . 1 . . . . A 167 ASN ND2 . 34958 1 1734 . 1 . 1 168 168 VAL H H 1 7.271 0.008 . 1 . . . . A 168 VAL H . 34958 1 1735 . 1 . 1 168 168 VAL HA H 1 2.856 0.007 . 1 . . . . A 168 VAL HA . 34958 1 1736 . 1 . 1 168 168 VAL HB H 1 1.810 0.012 . 1 . . . . A 168 VAL HB . 34958 1 1737 . 1 . 1 168 168 VAL HG11 H 1 0.697 0.005 . 2 . . . . A 168 VAL HG11 . 34958 1 1738 . 1 . 1 168 168 VAL HG12 H 1 0.697 0.005 . 2 . . . . A 168 VAL HG12 . 34958 1 1739 . 1 . 1 168 168 VAL HG13 H 1 0.697 0.005 . 2 . . . . A 168 VAL HG13 . 34958 1 1740 . 1 . 1 168 168 VAL HG21 H 1 -0.180 0.008 . 2 . . . . A 168 VAL HG21 . 34958 1 1741 . 1 . 1 168 168 VAL HG22 H 1 -0.180 0.008 . 2 . . . . A 168 VAL HG22 . 34958 1 1742 . 1 . 1 168 168 VAL HG23 H 1 -0.180 0.008 . 2 . . . . A 168 VAL HG23 . 34958 1 1743 . 1 . 1 168 168 VAL CA C 13 67.276 0.054 . 1 . . . . A 168 VAL CA . 34958 1 1744 . 1 . 1 168 168 VAL CB C 13 31.033 0.042 . 1 . . . . A 168 VAL CB . 34958 1 1745 . 1 . 1 168 168 VAL CG1 C 13 21.657 0.044 . 2 . . . . A 168 VAL CG1 . 34958 1 1746 . 1 . 1 168 168 VAL CG2 C 13 20.791 0.110 . 2 . . . . A 168 VAL CG2 . 34958 1 1747 . 1 . 1 168 168 VAL N N 15 116.434 0.032 . 1 . . . . A 168 VAL N . 34958 1 1748 . 1 . 1 169 169 PHE H H 1 6.588 0.012 . 1 . . . . A 169 PHE H . 34958 1 1749 . 1 . 1 169 169 PHE HA H 1 3.777 0.006 . 1 . . . . A 169 PHE HA . 34958 1 1750 . 1 . 1 169 169 PHE HB2 H 1 2.239 0.007 . 2 . . . . A 169 PHE HB2 . 34958 1 1751 . 1 . 1 169 169 PHE HB3 H 1 2.647 0.013 . 2 . . . . A 169 PHE HB3 . 34958 1 1752 . 1 . 1 169 169 PHE HD1 H 1 6.691 0.016 . 1 . . . . A 169 PHE HD1 . 34958 1 1753 . 1 . 1 169 169 PHE HD2 H 1 6.691 0.016 . 1 . . . . A 169 PHE HD2 . 34958 1 1754 . 1 . 1 169 169 PHE HE1 H 1 6.708 0.010 . 1 . . . . A 169 PHE HE1 . 34958 1 1755 . 1 . 1 169 169 PHE HE2 H 1 6.708 0.010 . 1 . . . . A 169 PHE HE2 . 34958 1 1756 . 1 . 1 169 169 PHE HZ H 1 6.598 0.009 . 1 . . . . A 169 PHE HZ . 34958 1 1757 . 1 . 1 169 169 PHE CA C 13 63.100 0.034 . 1 . . . . A 169 PHE CA . 34958 1 1758 . 1 . 1 169 169 PHE CB C 13 39.409 0.058 . 1 . . . . A 169 PHE CB . 34958 1 1759 . 1 . 1 169 169 PHE CD1 C 13 130.715 0.067 . 1 . . . . A 169 PHE CD1 . 34958 1 1760 . 1 . 1 169 169 PHE CD2 C 13 130.715 0.067 . 1 . . . . A 169 PHE CD2 . 34958 1 1761 . 1 . 1 169 169 PHE CE1 C 13 130.436 0.002 . 1 . . . . A 169 PHE CE1 . 34958 1 1762 . 1 . 1 169 169 PHE CE2 C 13 130.436 0.002 . 1 . . . . A 169 PHE CE2 . 34958 1 1763 . 1 . 1 169 169 PHE CZ C 13 127.566 0.165 . 1 . . . . A 169 PHE CZ . 34958 1 1764 . 1 . 1 169 169 PHE N N 15 114.520 0.062 . 1 . . . . A 169 PHE N . 34958 1 1765 . 1 . 1 170 170 ASP H H 1 8.993 0.005 . 1 . . . . A 170 ASP H . 34958 1 1766 . 1 . 1 170 170 ASP HA H 1 4.305 0.005 . 1 . . . . A 170 ASP HA . 34958 1 1767 . 1 . 1 170 170 ASP HB2 H 1 2.653 0.013 . 2 . . . . A 170 ASP HB2 . 34958 1 1768 . 1 . 1 170 170 ASP HB3 H 1 2.242 0.011 . 2 . . . . A 170 ASP HB3 . 34958 1 1769 . 1 . 1 170 170 ASP CA C 13 58.337 0.039 . 1 . . . . A 170 ASP CA . 34958 1 1770 . 1 . 1 170 170 ASP CB C 13 40.426 0.070 . 1 . . . . A 170 ASP CB . 34958 1 1771 . 1 . 1 170 170 ASP N N 15 121.358 0.031 . 1 . . . . A 170 ASP N . 34958 1 1772 . 1 . 1 171 171 GLU H H 1 7.930 0.010 . 1 . . . . A 171 GLU H . 34958 1 1773 . 1 . 1 171 171 GLU HA H 1 3.952 0.008 . 1 . . . . A 171 GLU HA . 34958 1 1774 . 1 . 1 171 171 GLU HB2 H 1 1.713 0.006 . 1 . . . . A 171 GLU HB2 . 34958 1 1775 . 1 . 1 171 171 GLU HG2 H 1 2.339 0.012 . 2 . . . . A 171 GLU HG2 . 34958 1 1776 . 1 . 1 171 171 GLU HG3 H 1 1.890 0.004 . 2 . . . . A 171 GLU HG3 . 34958 1 1777 . 1 . 1 171 171 GLU CA C 13 58.137 0.014 . 1 . . . . A 171 GLU CA . 34958 1 1778 . 1 . 1 171 171 GLU CB C 13 27.024 0.040 . 1 . . . . A 171 GLU CB . 34958 1 1779 . 1 . 1 171 171 GLU CG C 13 35.112 0.046 . 1 . . . . A 171 GLU CG . 34958 1 1780 . 1 . 1 171 171 GLU N N 15 114.896 0.041 . 1 . . . . A 171 GLU N . 34958 1 1781 . 1 . 1 172 172 ALA H H 1 8.197 0.006 . 1 . . . . A 172 ALA H . 34958 1 1782 . 1 . 1 172 172 ALA HA H 1 3.683 0.006 . 1 . . . . A 172 ALA HA . 34958 1 1783 . 1 . 1 172 172 ALA HB1 H 1 1.242 0.006 . 1 . . . . A 172 ALA HB1 . 34958 1 1784 . 1 . 1 172 172 ALA HB2 H 1 1.242 0.006 . 1 . . . . A 172 ALA HB2 . 34958 1 1785 . 1 . 1 172 172 ALA HB3 H 1 1.242 0.006 . 1 . . . . A 172 ALA HB3 . 34958 1 1786 . 1 . 1 172 172 ALA CA C 13 55.457 0.044 . 1 . . . . A 172 ALA CA . 34958 1 1787 . 1 . 1 172 172 ALA CB C 13 17.985 0.103 . 1 . . . . A 172 ALA CB . 34958 1 1788 . 1 . 1 172 172 ALA N N 15 123.961 0.048 . 1 . . . . A 172 ALA N . 34958 1 1789 . 1 . 1 173 173 ILE H H 1 7.798 0.009 . 1 . . . . A 173 ILE H . 34958 1 1790 . 1 . 1 173 173 ILE HA H 1 3.244 0.008 . 1 . . . . A 173 ILE HA . 34958 1 1791 . 1 . 1 173 173 ILE HB H 1 1.926 0.008 . 1 . . . . A 173 ILE HB . 34958 1 1792 . 1 . 1 173 173 ILE HG12 H 1 0.767 0.008 . 2 . . . . A 173 ILE HG12 . 34958 1 1793 . 1 . 1 173 173 ILE HG13 H 1 1.914 0.012 . 2 . . . . A 173 ILE HG13 . 34958 1 1794 . 1 . 1 173 173 ILE HG21 H 1 0.539 0.006 . 1 . . . . A 173 ILE HG21 . 34958 1 1795 . 1 . 1 173 173 ILE HG22 H 1 0.539 0.006 . 1 . . . . A 173 ILE HG22 . 34958 1 1796 . 1 . 1 173 173 ILE HG23 H 1 0.539 0.006 . 1 . . . . A 173 ILE HG23 . 34958 1 1797 . 1 . 1 173 173 ILE HD11 H 1 0.826 0.004 . 1 . . . . A 173 ILE HD11 . 34958 1 1798 . 1 . 1 173 173 ILE HD12 H 1 0.826 0.004 . 1 . . . . A 173 ILE HD12 . 34958 1 1799 . 1 . 1 173 173 ILE HD13 H 1 0.826 0.004 . 1 . . . . A 173 ILE HD13 . 34958 1 1800 . 1 . 1 173 173 ILE CA C 13 65.625 0.070 . 1 . . . . A 173 ILE CA . 34958 1 1801 . 1 . 1 173 173 ILE CB C 13 37.948 0.057 . 1 . . . . A 173 ILE CB . 34958 1 1802 . 1 . 1 173 173 ILE CG1 C 13 30.179 0.043 . 1 . . . . A 173 ILE CG1 . 34958 1 1803 . 1 . 1 173 173 ILE CG2 C 13 18.004 0.059 . 1 . . . . A 173 ILE CG2 . 34958 1 1804 . 1 . 1 173 173 ILE CD1 C 13 15.423 0.055 . 1 . . . . A 173 ILE CD1 . 34958 1 1805 . 1 . 1 173 173 ILE N N 15 116.350 0.034 . 1 . . . . A 173 ILE N . 34958 1 1806 . 1 . 1 174 174 LEU H H 1 7.876 0.004 . 1 . . . . A 174 LEU H . 34958 1 1807 . 1 . 1 174 174 LEU HA H 1 3.694 0.010 . 1 . . . . A 174 LEU HA . 34958 1 1808 . 1 . 1 174 174 LEU HB2 H 1 1.622 0.010 . 2 . . . . A 174 LEU HB2 . 34958 1 1809 . 1 . 1 174 174 LEU HB3 H 1 1.356 0.018 . 2 . . . . A 174 LEU HB3 . 34958 1 1810 . 1 . 1 174 174 LEU HG H 1 1.613 0.004 . 1 . . . . A 174 LEU HG . 34958 1 1811 . 1 . 1 174 174 LEU HD11 H 1 0.640 0.007 . 2 . . . . A 174 LEU HD11 . 34958 1 1812 . 1 . 1 174 174 LEU HD12 H 1 0.640 0.007 . 2 . . . . A 174 LEU HD12 . 34958 1 1813 . 1 . 1 174 174 LEU HD13 H 1 0.640 0.007 . 2 . . . . A 174 LEU HD13 . 34958 1 1814 . 1 . 1 174 174 LEU HD21 H 1 0.566 0.008 . 2 . . . . A 174 LEU HD21 . 34958 1 1815 . 1 . 1 174 174 LEU HD22 H 1 0.566 0.008 . 2 . . . . A 174 LEU HD22 . 34958 1 1816 . 1 . 1 174 174 LEU HD23 H 1 0.566 0.008 . 2 . . . . A 174 LEU HD23 . 34958 1 1817 . 1 . 1 174 174 LEU CA C 13 58.123 0.051 . 1 . . . . A 174 LEU CA . 34958 1 1818 . 1 . 1 174 174 LEU CB C 13 41.427 0.077 . 1 . . . . A 174 LEU CB . 34958 1 1819 . 1 . 1 174 174 LEU CG C 13 26.640 0.128 . 1 . . . . A 174 LEU CG . 34958 1 1820 . 1 . 1 174 174 LEU CD1 C 13 23.017 0.041 . 2 . . . . A 174 LEU CD1 . 34958 1 1821 . 1 . 1 174 174 LEU CD2 C 13 24.944 0.043 . 2 . . . . A 174 LEU CD2 . 34958 1 1822 . 1 . 1 174 174 LEU N N 15 117.285 0.049 . 1 . . . . A 174 LEU N . 34958 1 1823 . 1 . 1 175 175 ALA H H 1 7.827 0.005 . 1 . . . . A 175 ALA H . 34958 1 1824 . 1 . 1 175 175 ALA HA H 1 3.967 0.006 . 1 . . . . A 175 ALA HA . 34958 1 1825 . 1 . 1 175 175 ALA HB1 H 1 1.280 0.007 . 1 . . . . A 175 ALA HB1 . 34958 1 1826 . 1 . 1 175 175 ALA HB2 H 1 1.280 0.007 . 1 . . . . A 175 ALA HB2 . 34958 1 1827 . 1 . 1 175 175 ALA HB3 H 1 1.280 0.007 . 1 . . . . A 175 ALA HB3 . 34958 1 1828 . 1 . 1 175 175 ALA CA C 13 54.163 0.032 . 1 . . . . A 175 ALA CA . 34958 1 1829 . 1 . 1 175 175 ALA CB C 13 18.752 0.047 . 1 . . . . A 175 ALA CB . 34958 1 1830 . 1 . 1 175 175 ALA N N 15 118.888 0.040 . 1 . . . . A 175 ALA N . 34958 1 1831 . 1 . 1 176 176 ALA H H 1 7.523 0.009 . 1 . . . . A 176 ALA H . 34958 1 1832 . 1 . 1 176 176 ALA HA H 1 3.936 0.007 . 1 . . . . A 176 ALA HA . 34958 1 1833 . 1 . 1 176 176 ALA HB1 H 1 1.263 0.005 . 1 . . . . A 176 ALA HB1 . 34958 1 1834 . 1 . 1 176 176 ALA HB2 H 1 1.263 0.005 . 1 . . . . A 176 ALA HB2 . 34958 1 1835 . 1 . 1 176 176 ALA HB3 H 1 1.263 0.005 . 1 . . . . A 176 ALA HB3 . 34958 1 1836 . 1 . 1 176 176 ALA CA C 13 53.528 0.059 . 1 . . . . A 176 ALA CA . 34958 1 1837 . 1 . 1 176 176 ALA CB C 13 19.755 0.023 . 1 . . . . A 176 ALA CB . 34958 1 1838 . 1 . 1 176 176 ALA N N 15 116.609 0.030 . 1 . . . . A 176 ALA N . 34958 1 1839 . 1 . 1 177 177 LEU H H 1 7.497 0.008 . 1 . . . . A 177 LEU H . 34958 1 1840 . 1 . 1 177 177 LEU HA H 1 4.137 0.008 . 1 . . . . A 177 LEU HA . 34958 1 1841 . 1 . 1 177 177 LEU HB2 H 1 1.566 0.007 . 2 . . . . A 177 LEU HB2 . 34958 1 1842 . 1 . 1 177 177 LEU HB3 H 1 1.423 0.008 . 2 . . . . A 177 LEU HB3 . 34958 1 1843 . 1 . 1 177 177 LEU HG H 1 1.727 0.006 . 1 . . . . A 177 LEU HG . 34958 1 1844 . 1 . 1 177 177 LEU HD11 H 1 0.489 0.007 . 2 . . . . A 177 LEU HD11 . 34958 1 1845 . 1 . 1 177 177 LEU HD12 H 1 0.489 0.007 . 2 . . . . A 177 LEU HD12 . 34958 1 1846 . 1 . 1 177 177 LEU HD13 H 1 0.489 0.007 . 2 . . . . A 177 LEU HD13 . 34958 1 1847 . 1 . 1 177 177 LEU HD21 H 1 0.581 0.010 . 2 . . . . A 177 LEU HD21 . 34958 1 1848 . 1 . 1 177 177 LEU HD22 H 1 0.581 0.010 . 2 . . . . A 177 LEU HD22 . 34958 1 1849 . 1 . 1 177 177 LEU HD23 H 1 0.581 0.010 . 2 . . . . A 177 LEU HD23 . 34958 1 1850 . 1 . 1 177 177 LEU CA C 13 55.446 0.093 . 1 . . . . A 177 LEU CA . 34958 1 1851 . 1 . 1 177 177 LEU CB C 13 43.064 0.040 . 1 . . . . A 177 LEU CB . 34958 1 1852 . 1 . 1 177 177 LEU CG C 13 26.144 0.017 . 1 . . . . A 177 LEU CG . 34958 1 1853 . 1 . 1 177 177 LEU CD1 C 13 25.773 0.024 . 2 . . . . A 177 LEU CD1 . 34958 1 1854 . 1 . 1 177 177 LEU CD2 C 13 21.995 0.069 . 2 . . . . A 177 LEU CD2 . 34958 1 1855 . 1 . 1 177 177 LEU N N 15 115.379 0.063 . 1 . . . . A 177 LEU N . 34958 1 1856 . 1 . 1 178 178 GLU H H 1 7.628 0.007 . 1 . . . . A 178 GLU H . 34958 1 1857 . 1 . 1 178 178 GLU HA H 1 4.488 0.007 . 1 . . . . A 178 GLU HA . 34958 1 1858 . 1 . 1 178 178 GLU HB2 H 1 1.857 0.012 . 2 . . . . A 178 GLU HB2 . 34958 1 1859 . 1 . 1 178 178 GLU HB3 H 1 1.915 0.005 . 2 . . . . A 178 GLU HB3 . 34958 1 1860 . 1 . 1 178 178 GLU HG2 H 1 2.166 0.004 . 1 . . . . A 178 GLU HG2 . 34958 1 1861 . 1 . 1 178 178 GLU CA C 13 54.176 0.049 . 1 . . . . A 178 GLU CA . 34958 1 1862 . 1 . 1 178 178 GLU CB C 13 30.063 0.018 . 1 . . . . A 178 GLU CB . 34958 1 1863 . 1 . 1 178 178 GLU CG C 13 35.785 0.044 . 1 . . . . A 178 GLU CG . 34958 1 1864 . 1 . 1 178 178 GLU N N 15 120.294 0.045 . 1 . . . . A 178 GLU N . 34958 1 1865 . 1 . 1 179 179 PRO HA H 1 4.670 0.004 . 1 . . . . A 179 PRO HA . 34958 1 1866 . 1 . 1 179 179 PRO HB2 H 1 1.890 0.003 . 2 . . . . A 179 PRO HB2 . 34958 1 1867 . 1 . 1 179 179 PRO HB3 H 1 2.301 0.004 . 2 . . . . A 179 PRO HB3 . 34958 1 1868 . 1 . 1 179 179 PRO HG2 H 1 1.962 0.009 . 1 . . . . A 179 PRO HG2 . 34958 1 1869 . 1 . 1 179 179 PRO HD2 H 1 3.644 0.019 . 2 . . . . A 179 PRO HD2 . 34958 1 1870 . 1 . 1 179 179 PRO HD3 H 1 3.531 0.005 . 2 . . . . A 179 PRO HD3 . 34958 1 1871 . 1 . 1 179 179 PRO CA C 13 61.625 0.017 . 1 . . . . A 179 PRO CA . 34958 1 1872 . 1 . 1 179 179 PRO CB C 13 30.914 0.017 . 1 . . . . A 179 PRO CB . 34958 1 1873 . 1 . 1 179 179 PRO CG C 13 27.484 0.023 . 1 . . . . A 179 PRO CG . 34958 1 1874 . 1 . 1 179 179 PRO CD C 13 50.453 0.027 . 1 . . . . A 179 PRO CD . 34958 1 1875 . 1 . 1 180 180 PRO HA H 1 4.365 0.006 . 1 . . . . A 180 PRO HA . 34958 1 1876 . 1 . 1 180 180 PRO HB2 H 1 2.225 0.006 . 2 . . . . A 180 PRO HB2 . 34958 1 1877 . 1 . 1 180 180 PRO HB3 H 1 1.830 0.007 . 2 . . . . A 180 PRO HB3 . 34958 1 1878 . 1 . 1 180 180 PRO HG2 H 1 1.965 0.008 . 1 . . . . A 180 PRO HG2 . 34958 1 1879 . 1 . 1 180 180 PRO HD2 H 1 3.780 0.005 . 2 . . . . A 180 PRO HD2 . 34958 1 1880 . 1 . 1 180 180 PRO HD3 H 1 3.602 0.006 . 2 . . . . A 180 PRO HD3 . 34958 1 1881 . 1 . 1 180 180 PRO CA C 13 62.998 0.037 . 1 . . . . A 180 PRO CA . 34958 1 1882 . 1 . 1 180 180 PRO CB C 13 32.103 0.051 . 1 . . . . A 180 PRO CB . 34958 1 1883 . 1 . 1 180 180 PRO CG C 13 27.451 0.027 . 1 . . . . A 180 PRO CG . 34958 1 1884 . 1 . 1 180 180 PRO CD C 13 50.407 0.048 . 1 . . . . A 180 PRO CD . 34958 1 1885 . 1 . 1 181 181 GLU H H 1 8.207 0.006 . 1 . . . . A 181 GLU H . 34958 1 1886 . 1 . 1 181 181 GLU HA H 1 4.503 0.006 . 1 . . . . A 181 GLU HA . 34958 1 1887 . 1 . 1 181 181 GLU HB2 H 1 1.922 0.003 . 2 . . . . A 181 GLU HB2 . 34958 1 1888 . 1 . 1 181 181 GLU HB3 H 1 1.838 0.007 . 2 . . . . A 181 GLU HB3 . 34958 1 1889 . 1 . 1 181 181 GLU HG2 H 1 2.201 0.004 . 1 . . . . A 181 GLU HG2 . 34958 1 1890 . 1 . 1 181 181 GLU CA C 13 54.119 0.057 . 1 . . . . A 181 GLU CA . 34958 1 1891 . 1 . 1 181 181 GLU CB C 13 30.084 0.042 . 1 . . . . A 181 GLU CB . 34958 1 1892 . 1 . 1 181 181 GLU CG C 13 35.920 0.024 . 1 . . . . A 181 GLU CG . 34958 1 1893 . 1 . 1 181 181 GLU N N 15 121.136 0.044 . 1 . . . . A 181 GLU N . 34958 1 1894 . 1 . 1 182 182 PRO HA H 1 4.330 0.009 . 1 . . . . A 182 PRO HA . 34958 1 1895 . 1 . 1 182 182 PRO HB2 H 1 2.213 0.007 . 2 . . . . A 182 PRO HB2 . 34958 1 1896 . 1 . 1 182 182 PRO HB3 H 1 1.820 0.011 . 2 . . . . A 182 PRO HB3 . 34958 1 1897 . 1 . 1 182 182 PRO HG2 H 1 1.940 0.006 . 1 . . . . A 182 PRO HG2 . 34958 1 1898 . 1 . 1 182 182 PRO HD2 H 1 3.756 0.009 . 2 . . . . A 182 PRO HD2 . 34958 1 1899 . 1 . 1 182 182 PRO HD3 H 1 3.593 0.005 . 2 . . . . A 182 PRO HD3 . 34958 1 1900 . 1 . 1 182 182 PRO CA C 13 63.082 0.020 . 1 . . . . A 182 PRO CA . 34958 1 1901 . 1 . 1 182 182 PRO CB C 13 32.142 0.032 . 1 . . . . A 182 PRO CB . 34958 1 1902 . 1 . 1 182 182 PRO CG C 13 27.408 0.015 . 1 . . . . A 182 PRO CG . 34958 1 1903 . 1 . 1 182 182 PRO CD C 13 50.674 0.055 . 1 . . . . A 182 PRO CD . 34958 1 1904 . 1 . 1 183 183 LYS H H 1 8.348 0.009 . 1 . . . . A 183 LYS H . 34958 1 1905 . 1 . 1 183 183 LYS HA H 1 4.206 0.006 . 1 . . . . A 183 LYS HA . 34958 1 1906 . 1 . 1 183 183 LYS HB2 H 1 1.777 0.004 . 2 . . . . A 183 LYS HB2 . 34958 1 1907 . 1 . 1 183 183 LYS HB3 H 1 1.684 0.007 . 2 . . . . A 183 LYS HB3 . 34958 1 1908 . 1 . 1 183 183 LYS HG2 H 1 1.398 0.008 . 1 . . . . A 183 LYS HG2 . 34958 1 1909 . 1 . 1 183 183 LYS HD2 H 1 1.614 0.007 . 1 . . . . A 183 LYS HD2 . 34958 1 1910 . 1 . 1 183 183 LYS HE2 H 1 2.930 0.011 . 1 . . . . A 183 LYS HE2 . 34958 1 1911 . 1 . 1 183 183 LYS CA C 13 56.317 0.020 . 1 . . . . A 183 LYS CA . 34958 1 1912 . 1 . 1 183 183 LYS CB C 13 32.997 0.047 . 1 . . . . A 183 LYS CB . 34958 1 1913 . 1 . 1 183 183 LYS CG C 13 24.745 0.025 . 1 . . . . A 183 LYS CG . 34958 1 1914 . 1 . 1 183 183 LYS CD C 13 29.104 0.048 . 1 . . . . A 183 LYS CD . 34958 1 1915 . 1 . 1 183 183 LYS CE C 13 42.237 0.001 . 1 . . . . A 183 LYS CE . 34958 1 1916 . 1 . 1 183 183 LYS N N 15 122.056 0.037 . 1 . . . . A 183 LYS N . 34958 1 1917 . 1 . 1 184 184 LYS H H 1 7.897 0.008 . 1 . . . . A 184 LYS H . 34958 1 1918 . 1 . 1 184 184 LYS HA H 1 4.061 0.008 . 1 . . . . A 184 LYS HA . 34958 1 1919 . 1 . 1 184 184 LYS HB2 H 1 1.731 0.005 . 2 . . . . A 184 LYS HB2 . 34958 1 1920 . 1 . 1 184 184 LYS HB3 H 1 1.615 0.008 . 2 . . . . A 184 LYS HB3 . 34958 1 1921 . 1 . 1 184 184 LYS HG2 H 1 1.302 0.006 . 1 . . . . A 184 LYS HG2 . 34958 1 1922 . 1 . 1 184 184 LYS HD2 H 1 1.591 0.007 . 1 . . . . A 184 LYS HD2 . 34958 1 1923 . 1 . 1 184 184 LYS HE2 H 1 2.908 0.003 . 1 . . . . A 184 LYS HE2 . 34958 1 1924 . 1 . 1 184 184 LYS CA C 13 57.713 0.040 . 1 . . . . A 184 LYS CA . 34958 1 1925 . 1 . 1 184 184 LYS CB C 13 33.792 0.010 . 1 . . . . A 184 LYS CB . 34958 1 1926 . 1 . 1 184 184 LYS CG C 13 24.875 0.090 . 1 . . . . A 184 LYS CG . 34958 1 1927 . 1 . 1 184 184 LYS CD C 13 29.221 0.001 . 1 . . . . A 184 LYS CD . 34958 1 1928 . 1 . 1 184 184 LYS CE C 13 42.177 0.035 . 1 . . . . A 184 LYS CE . 34958 1 1929 . 1 . 1 184 184 LYS N N 15 127.902 0.049 . 1 . . . . A 184 LYS N . 34958 1 1930 . 2 . 2 1 1 PRO HA H 1 4.488 0.000 . 1 . . . . B 1 PRO HA . 34958 1 1931 . 2 . 2 1 1 PRO HB2 H 1 1.817 0.006 . 1 . . . . B 1 PRO HB2 . 34958 1 1932 . 2 . 2 1 1 PRO HG3 H 1 2.286 0.014 . 1 . . . . B 1 PRO HG3 . 34958 1 1933 . 2 . 2 1 1 PRO HD2 H 1 3.574 0.000 . 1 . . . . B 1 PRO HD2 . 34958 1 1934 . 2 . 2 2 2 SER H H 1 8.518 0.015 . 1 . . . . B 2 SER H . 34958 1 1935 . 2 . 2 2 2 SER HA H 1 4.862 0.007 . 1 . . . . B 2 SER HA . 34958 1 1936 . 2 . 2 2 2 SER HB2 H 1 3.576 0.003 . 2 . . . . B 2 SER HB2 . 34958 1 1937 . 2 . 2 2 2 SER HB3 H 1 3.782 0.000 . 2 . . . . B 2 SER HB3 . 34958 1 1938 . 2 . 2 2 2 SER N N 15 114.078 0.056 . 1 . . . . B 2 SER N . 34958 1 1939 . 2 . 2 3 3 ILE H H 1 8.711 0.007 . 1 . . . . B 3 ILE H . 34958 1 1940 . 2 . 2 3 3 ILE HA H 1 4.662 0.005 . 1 . . . . B 3 ILE HA . 34958 1 1941 . 2 . 2 3 3 ILE HB H 1 1.467 0.015 . 1 . . . . B 3 ILE HB . 34958 1 1942 . 2 . 2 3 3 ILE HG12 H 1 1.467 0.015 . 2 . . . . B 3 ILE HG12 . 34958 1 1943 . 2 . 2 3 3 ILE HG13 H 1 1.107 0.000 . 2 . . . . B 3 ILE HG13 . 34958 1 1944 . 2 . 2 3 3 ILE HG21 H 1 0.638 0.021 . 1 . . . . B 3 ILE HG21 . 34958 1 1945 . 2 . 2 3 3 ILE HG22 H 1 0.638 0.021 . 1 . . . . B 3 ILE HG22 . 34958 1 1946 . 2 . 2 3 3 ILE HG23 H 1 0.638 0.021 . 1 . . . . B 3 ILE HG23 . 34958 1 1947 . 2 . 2 3 3 ILE HD11 H 1 0.412 0.010 . 1 . . . . B 3 ILE HD11 . 34958 1 1948 . 2 . 2 3 3 ILE HD12 H 1 0.412 0.010 . 1 . . . . B 3 ILE HD12 . 34958 1 1949 . 2 . 2 3 3 ILE HD13 H 1 0.412 0.010 . 1 . . . . B 3 ILE HD13 . 34958 1 1950 . 2 . 2 3 3 ILE N N 15 122.245 0.043 . 1 . . . . B 3 ILE N . 34958 1 1951 . 2 . 2 4 4 CYS H H 1 9.015 0.016 . 1 . . . . B 4 CYS H . 34958 1 1952 . 2 . 2 4 4 CYS HA H 1 5.297 0.002 . 1 . . . . B 4 CYS HA . 34958 1 1953 . 2 . 2 4 4 CYS HB2 H 1 2.699 0.018 . 2 . . . . B 4 CYS HB2 . 34958 1 1954 . 2 . 2 4 4 CYS HB3 H 1 3.039 0.015 . 2 . . . . B 4 CYS HB3 . 34958 1 1955 . 2 . 2 4 4 CYS N N 15 125.574 0.025 . 1 . . . . B 4 CYS N . 34958 1 1956 . 2 . 2 5 5 HIS H H 1 9.430 0.019 . 1 . . . . B 5 HIS H . 34958 1 1957 . 2 . 2 5 5 HIS HA H 1 4.580 0.010 . 1 . . . . B 5 HIS HA . 34958 1 1958 . 2 . 2 5 5 HIS HB2 H 1 3.332 0.000 . 1 . . . . B 5 HIS HB2 . 34958 1 1959 . 2 . 2 5 5 HIS HB3 H 1 3.332 0.000 . 1 . . . . B 5 HIS HB3 . 34958 1 1960 . 2 . 2 5 5 HIS HD2 H 1 7.840 0.000 . 1 . . . . B 5 HIS HD2 . 34958 1 1961 . 2 . 2 5 5 HIS HE1 H 1 7.263 0.012 . 1 . . . . B 5 HIS HE1 . 34958 1 1962 . 2 . 2 5 5 HIS N N 15 126.830 0.050 . 1 . . . . B 5 HIS N . 34958 1 1963 . 2 . 2 6 6 VAL H H 1 7.390 0.008 . 1 . . . . B 6 VAL H . 34958 1 1964 . 2 . 2 6 6 VAL HA H 1 3.504 0.015 . 1 . . . . B 6 VAL HA . 34958 1 1965 . 2 . 2 6 6 VAL HB H 1 2.190 0.008 . 1 . . . . B 6 VAL HB . 34958 1 1966 . 2 . 2 6 6 VAL HG11 H 1 0.900 0.004 . 1 . . . . B 6 VAL HG11 . 34958 1 1967 . 2 . 2 6 6 VAL HG12 H 1 0.900 0.004 . 1 . . . . B 6 VAL HG12 . 34958 1 1968 . 2 . 2 6 6 VAL HG13 H 1 0.900 0.004 . 1 . . . . B 6 VAL HG13 . 34958 1 1969 . 2 . 2 6 6 VAL HG21 H 1 0.900 0.004 . 1 . . . . B 6 VAL HG21 . 34958 1 1970 . 2 . 2 6 6 VAL HG22 H 1 0.900 0.004 . 1 . . . . B 6 VAL HG22 . 34958 1 1971 . 2 . 2 6 6 VAL HG23 H 1 0.900 0.004 . 1 . . . . B 6 VAL HG23 . 34958 1 1972 . 2 . 2 6 6 VAL N N 15 123.888 0.036 . 1 . . . . B 6 VAL N . 34958 1 1973 . 2 . 2 7 7 HIS H H 1 9.014 0.005 . 1 . . . . B 7 HIS H . 34958 1 1974 . 2 . 2 7 7 HIS HA H 1 4.485 0.021 . 1 . . . . B 7 HIS HA . 34958 1 1975 . 2 . 2 7 7 HIS HB2 H 1 3.098 0.006 . 2 . . . . B 7 HIS HB2 . 34958 1 1976 . 2 . 2 7 7 HIS HB3 H 1 2.903 0.000 . 2 . . . . B 7 HIS HB3 . 34958 1 1977 . 2 . 2 7 7 HIS HD2 H 1 6.566 0.007 . 1 . . . . B 7 HIS HD2 . 34958 1 1978 . 2 . 2 7 7 HIS HE1 H 1 7.500 0.003 . 1 . . . . B 7 HIS HE1 . 34958 1 1979 . 2 . 2 7 7 HIS N N 15 115.604 0.016 . 1 . . . . B 7 HIS N . 34958 1 1980 . 2 . 2 8 8 ARG H H 1 7.031 0.005 . 1 . . . . B 8 ARG H . 34958 1 1981 . 2 . 2 8 8 ARG HA H 1 4.403 0.018 . 1 . . . . B 8 ARG HA . 34958 1 1982 . 2 . 2 8 8 ARG HB2 H 1 0.895 0.000 . 2 . . . . B 8 ARG HB2 . 34958 1 1983 . 2 . 2 8 8 ARG HB3 H 1 1.049 0.000 . 2 . . . . B 8 ARG HB3 . 34958 1 1984 . 2 . 2 8 8 ARG HG2 H 1 -0.672 0.027 . 2 . . . . B 8 ARG HG2 . 34958 1 1985 . 2 . 2 8 8 ARG HG3 H 1 0.583 0.012 . 2 . . . . B 8 ARG HG3 . 34958 1 1986 . 2 . 2 8 8 ARG HD2 H 1 2.457 0.013 . 1 . . . . B 8 ARG HD2 . 34958 1 1987 . 2 . 2 8 8 ARG HE H 1 7.336 0.016 . 1 . . . . B 8 ARG HE . 34958 1 1988 . 2 . 2 8 8 ARG HH11 H 1 5.861 0.000 . 1 . . . . B 8 ARG HH11 . 34958 1 1989 . 2 . 2 8 8 ARG HH12 H 1 5.861 0.000 . 1 . . . . B 8 ARG HH12 . 34958 1 1990 . 2 . 2 8 8 ARG HH21 H 1 5.861 0.000 . 1 . . . . B 8 ARG HH21 . 34958 1 1991 . 2 . 2 8 8 ARG HH22 H 1 5.861 0.000 . 1 . . . . B 8 ARG HH22 . 34958 1 1992 . 2 . 2 8 8 ARG N N 15 118.873 0.036 . 1 . . . . B 8 ARG N . 34958 1 1993 . 2 . 2 8 8 ARG NE N 15 80.111 0.049 . 1 . . . . B 8 ARG NE . 34958 1 1994 . 2 . 2 9 9 PRO HA H 1 4.319 0.000 . 1 . . . . B 9 PRO HA . 34958 1 1995 . 2 . 2 9 9 PRO HB3 H 1 1.910 0.000 . 1 . . . . B 9 PRO HB3 . 34958 1 1996 . 2 . 2 9 9 PRO HD2 H 1 3.620 0.000 . 2 . . . . B 9 PRO HD2 . 34958 1 1997 . 2 . 2 9 9 PRO HD3 H 1 3.536 0.000 . 2 . . . . B 9 PRO HD3 . 34958 1 1998 . 2 . 2 10 10 ASP H H 1 9.244 0.004 . 1 . . . . B 10 ASP H . 34958 1 1999 . 2 . 2 10 10 ASP HA H 1 4.307 0.011 . 1 . . . . B 10 ASP HA . 34958 1 2000 . 2 . 2 10 10 ASP HB2 H 1 2.496 0.003 . 2 . . . . B 10 ASP HB2 . 34958 1 2001 . 2 . 2 10 10 ASP HB3 H 1 2.668 0.017 . 2 . . . . B 10 ASP HB3 . 34958 1 2002 . 2 . 2 10 10 ASP N N 15 113.321 0.012 . 1 . . . . B 10 ASP N . 34958 1 2003 . 2 . 2 11 11 TRP H H 1 8.057 0.006 . 1 . . . . B 11 TRP H . 34958 1 2004 . 2 . 2 11 11 TRP HA H 1 5.334 0.001 . 1 . . . . B 11 TRP HA . 34958 1 2005 . 2 . 2 11 11 TRP HB2 H 1 3.038 0.000 . 2 . . . . B 11 TRP HB2 . 34958 1 2006 . 2 . 2 11 11 TRP HB3 H 1 3.611 0.000 . 2 . . . . B 11 TRP HB3 . 34958 1 2007 . 2 . 2 11 11 TRP HD1 H 1 6.932 0.001 . 1 . . . . B 11 TRP HD1 . 34958 1 2008 . 2 . 2 11 11 TRP HE1 H 1 10.253 0.006 . 1 . . . . B 11 TRP HE1 . 34958 1 2009 . 2 . 2 11 11 TRP HE3 H 1 6.378 0.000 . 1 . . . . B 11 TRP HE3 . 34958 1 2010 . 2 . 2 11 11 TRP HZ2 H 1 7.314 0.012 . 1 . . . . B 11 TRP HZ2 . 34958 1 2011 . 2 . 2 11 11 TRP HZ3 H 1 6.226 0.028 . 1 . . . . B 11 TRP HZ3 . 34958 1 2012 . 2 . 2 11 11 TRP HH2 H 1 6.747 0.010 . 1 . . . . B 11 TRP HH2 . 34958 1 2013 . 2 . 2 11 11 TRP N N 15 122.820 0.063 . 1 . . . . B 11 TRP N . 34958 1 2014 . 2 . 2 11 11 TRP NE1 N 15 128.731 0.023 . 1 . . . . B 11 TRP NE1 . 34958 1 2015 . 2 . 2 12 12 PRO HA H 1 4.638 0.000 . 1 . . . . B 12 PRO HA . 34958 1 2016 . 2 . 2 12 12 PRO HB3 H 1 2.276 0.000 . 1 . . . . B 12 PRO HB3 . 34958 1 2017 . 2 . 2 12 12 PRO HG2 H 1 1.963 0.000 . 1 . . . . B 12 PRO HG2 . 34958 1 2018 . 2 . 2 13 13 CYS H H 1 8.660 0.003 . 1 . . . . B 13 CYS H . 34958 1 2019 . 2 . 2 13 13 CYS HA H 1 4.922 0.003 . 1 . . . . B 13 CYS HA . 34958 1 2020 . 2 . 2 13 13 CYS HB2 H 1 2.395 0.004 . 2 . . . . B 13 CYS HB2 . 34958 1 2021 . 2 . 2 13 13 CYS HB3 H 1 3.169 0.000 . 2 . . . . B 13 CYS HB3 . 34958 1 2022 . 2 . 2 13 13 CYS N N 15 118.394 0.019 . 1 . . . . B 13 CYS N . 34958 1 2023 . 2 . 2 14 14 ALA H H 1 8.331 0.006 . 1 . . . . B 14 ALA H . 34958 1 2024 . 2 . 2 14 14 ALA HA H 1 4.428 0.000 . 1 . . . . B 14 ALA HA . 34958 1 2025 . 2 . 2 14 14 ALA HB1 H 1 1.101 0.010 . 1 . . . . B 14 ALA HB1 . 34958 1 2026 . 2 . 2 14 14 ALA HB2 H 1 1.101 0.010 . 1 . . . . B 14 ALA HB2 . 34958 1 2027 . 2 . 2 14 14 ALA HB3 H 1 1.101 0.010 . 1 . . . . B 14 ALA HB3 . 34958 1 2028 . 2 . 2 14 14 ALA N N 15 124.503 0.015 . 1 . . . . B 14 ALA N . 34958 1 2029 . 2 . 2 15 15 TYR H H 1 8.511 0.005 . 1 . . . . B 15 TYR H . 34958 1 2030 . 2 . 2 15 15 TYR HA H 1 4.380 0.002 . 1 . . . . B 15 TYR HA . 34958 1 2031 . 2 . 2 15 15 TYR HB2 H 1 2.876 0.000 . 2 . . . . B 15 TYR HB2 . 34958 1 2032 . 2 . 2 15 15 TYR HB3 H 1 2.712 0.001 . 2 . . . . B 15 TYR HB3 . 34958 1 2033 . 2 . 2 15 15 TYR HD1 H 1 6.926 0.001 . 1 . . . . B 15 TYR HD1 . 34958 1 2034 . 2 . 2 15 15 TYR HD2 H 1 6.926 0.001 . 1 . . . . B 15 TYR HD2 . 34958 1 2035 . 2 . 2 15 15 TYR N N 15 121.416 0.029 . 1 . . . . B 15 TYR N . 34958 1 2036 . 2 . 2 16 16 ARG H H 1 7.288 0.007 . 1 . . . . B 16 ARG H . 34958 1 2037 . 2 . 2 16 16 ARG HA H 1 4.178 0.000 . 1 . . . . B 16 ARG HA . 34958 1 2038 . 2 . 2 16 16 ARG HB2 H 1 1.398 0.033 . 2 . . . . B 16 ARG HB2 . 34958 1 2039 . 2 . 2 16 16 ARG HB3 H 1 1.836 0.011 . 2 . . . . B 16 ARG HB3 . 34958 1 2040 . 2 . 2 16 16 ARG HG2 H 1 1.123 0.000 . 1 . . . . B 16 ARG HG2 . 34958 1 2041 . 2 . 2 16 16 ARG HG3 H 1 1.123 0.000 . 1 . . . . B 16 ARG HG3 . 34958 1 2042 . 2 . 2 16 16 ARG HD2 H 1 3.068 0.004 . 1 . . . . B 16 ARG HD2 . 34958 1 2043 . 2 . 2 16 16 ARG HD3 H 1 3.068 0.004 . 1 . . . . B 16 ARG HD3 . 34958 1 2044 . 2 . 2 16 16 ARG HE H 1 7.327 0.003 . 1 . . . . B 16 ARG HE . 34958 1 2045 . 2 . 2 16 16 ARG N N 15 128.518 0.040 . 1 . . . . B 16 ARG N . 34958 1 2046 . 2 . 2 16 16 ARG NE N 15 83.084 0.009 . 1 . . . . B 16 ARG NE . 34958 1 2047 . 3 . 3 1 1 GNP H1' H 1 5.866 0.000 . 1 . . . . A 201 GNP H1' . 34958 1 2048 . 3 . 3 1 1 GNP HN1 H 1 12.711 0.009 . 1 . . . . A 201 GNP HN1 . 34958 1 2049 . 3 . 3 1 1 GNP HN21 H 1 6.635 0.018 . 1 . . . . A 201 GNP HN21 . 34958 1 2050 . 3 . 3 1 1 GNP HN22 H 1 6.167 0.008 . 1 . . . . A 201 GNP HN22 . 34958 1 stop_ save_