data_52412 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52412 _Entry.Title ; Backbone and side-chain resonance assignments of GRB2 with a SOS1 PRM and an EGFR phosphorylated peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-04-15 _Entry.Accession_date 2024-04-15 _Entry.Last_release_date 2024-04-16 _Entry.Original_release_date 2024-04-16 _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 _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 'resonance assignments' _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 Keita Tateno . . . . 52412 2 Takami Ando . . . . 52412 3 Maako Tabta . . . . 52412 4 Haruka Sugasawa . . . 0000-0002-1134-5712 52412 5 Toshifumi Hayashi . . . . 52412 6 Sayeesh PM . . . 0000-0003-0662-8248 52412 7 Kohsuke Inomata . . . 0000-0002-6816-7961 52412 8 Tsutomu Mikawa . . . 0000-0003-2325-5084 52412 9 Yutaka Ito . . . 0000-0002-1030-4660 52412 10 Teppei Ikeya . . . 0000-0002-6721-3727 52412 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52412 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 684 52412 '15N chemical shifts' 190 52412 '1H chemical shifts' 790 52412 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 . . 2024-10-22 . original BMRB . 52412 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50082 '1H, 15N, 13C assignment of human adaptor protein Grb2' 52412 BMRB 5693 'Backbone chemical shift assignments of Grb2 complexed with ligand peptides for SH3 and SH2 domains' 52412 PDB 1GRI 'GRB2 X-ray structure' 52412 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52412 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39282643 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Different molecular recognition by three domains of the full-length GRB2 to SOS1 proline-rich motifs and EGFR phosphorylated sites ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Chem. Sci.' _Citation.Journal_name_full 'Chemical science' _Citation.Journal_volume 15 _Citation.Journal_issue 38 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-6520 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 15858 _Citation.Page_last 15872 _Citation.Year 2024 _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 Keita Tateno K. . . . 52412 1 2 Takami Ando T. . . . 52412 1 3 Maako Tabata M. . . . 52412 1 4 Haruka Sugasawa H. . . . 52412 1 5 Toshifumi Hayashi T. . . . 52412 1 6 Sangya Yu S. . . . 52412 1 7 Sayeesh Pm S. . . . 52412 1 8 Kohsuke Inomata K. . . . 52412 1 9 Tsutomu Mikawa T. . . . 52412 1 10 Yutaka Ito Y. . . . 52412 1 11 Teppei Ikeya T. . . . 52412 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID GRB2 52412 1 'Proline Rich Motifs' 52412 1 SOS1 52412 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52412 _Assembly.ID 1 _Assembly.Name GRB2 _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 GRB2 1 $entity_1 . . yes native no no . . . 52412 1 2 'SOS1 PRM' 2 $entity_2 . . no native no no . . . 52412 1 3 'EGFR peptide' 3 $entity_3 . . no native no no . . . 52412 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1GRI . . X-ray 3.1 . . 52412 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'EGFR, GRB2, and SOS1 are proteins for intracellular signal transduction, such as MAPK pathway.' 52412 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52412 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MEAIAKYDFKATADDELSFK RGDILKVLNEESDQNWYKAE LNGKDGFIPKNYIEMKPHPW FFGKIPRAKAEEMLSKQRHD GAFLIRESESAPGDFSLSVK FGNDVQHFKVLRDGAGKYFL WVVKFNSLNELVDYHRSTSV SRNQQIFLRDIEQVPQQPTY VQALFDFDPQEDGELGFRRG DFIHVMDNSDPNWWKGAAHG QTGMFPRNYVTPVNRNV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; Cys32 and Cys198 are replaced with Ser and Ala, respectively, according to the reference J. Mol. BIo. 306(3) 527-37 (2021). ; _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 217 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes PDB 1GRI . GRB2 . . . . . . . . . . . . . . 52412 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Growth factor receptor-bound protein 2 (GRB2) is an adaptor protein in intracellular signal transduction, such as MAPK pathway.' 52412 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 . 52412 1 2 . GLU . 52412 1 3 . ALA . 52412 1 4 . ILE . 52412 1 5 . ALA . 52412 1 6 . LYS . 52412 1 7 . TYR . 52412 1 8 . ASP . 52412 1 9 . PHE . 52412 1 10 . LYS . 52412 1 11 . ALA . 52412 1 12 . THR . 52412 1 13 . ALA . 52412 1 14 . ASP . 52412 1 15 . ASP . 52412 1 16 . GLU . 52412 1 17 . LEU . 52412 1 18 . SER . 52412 1 19 . PHE . 52412 1 20 . LYS . 52412 1 21 . ARG . 52412 1 22 . GLY . 52412 1 23 . ASP . 52412 1 24 . ILE . 52412 1 25 . LEU . 52412 1 26 . LYS . 52412 1 27 . VAL . 52412 1 28 . LEU . 52412 1 29 . ASN . 52412 1 30 . GLU . 52412 1 31 . GLU . 52412 1 32 . SER . 52412 1 33 . ASP . 52412 1 34 . GLN . 52412 1 35 . ASN . 52412 1 36 . TRP . 52412 1 37 . TYR . 52412 1 38 . LYS . 52412 1 39 . ALA . 52412 1 40 . GLU . 52412 1 41 . LEU . 52412 1 42 . ASN . 52412 1 43 . GLY . 52412 1 44 . LYS . 52412 1 45 . ASP . 52412 1 46 . GLY . 52412 1 47 . PHE . 52412 1 48 . ILE . 52412 1 49 . PRO . 52412 1 50 . LYS . 52412 1 51 . ASN . 52412 1 52 . TYR . 52412 1 53 . ILE . 52412 1 54 . GLU . 52412 1 55 . MET . 52412 1 56 . LYS . 52412 1 57 . PRO . 52412 1 58 . HIS . 52412 1 59 . PRO . 52412 1 60 . TRP . 52412 1 61 . PHE . 52412 1 62 . PHE . 52412 1 63 . GLY . 52412 1 64 . LYS . 52412 1 65 . ILE . 52412 1 66 . PRO . 52412 1 67 . ARG . 52412 1 68 . ALA . 52412 1 69 . LYS . 52412 1 70 . ALA . 52412 1 71 . GLU . 52412 1 72 . GLU . 52412 1 73 . MET . 52412 1 74 . LEU . 52412 1 75 . SER . 52412 1 76 . LYS . 52412 1 77 . GLN . 52412 1 78 . ARG . 52412 1 79 . HIS . 52412 1 80 . ASP . 52412 1 81 . GLY . 52412 1 82 . ALA . 52412 1 83 . PHE . 52412 1 84 . LEU . 52412 1 85 . ILE . 52412 1 86 . ARG . 52412 1 87 . GLU . 52412 1 88 . SER . 52412 1 89 . GLU . 52412 1 90 . SER . 52412 1 91 . ALA . 52412 1 92 . PRO . 52412 1 93 . GLY . 52412 1 94 . ASP . 52412 1 95 . PHE . 52412 1 96 . SER . 52412 1 97 . LEU . 52412 1 98 . SER . 52412 1 99 . VAL . 52412 1 100 . LYS . 52412 1 101 . PHE . 52412 1 102 . GLY . 52412 1 103 . ASN . 52412 1 104 . ASP . 52412 1 105 . VAL . 52412 1 106 . GLN . 52412 1 107 . HIS . 52412 1 108 . PHE . 52412 1 109 . LYS . 52412 1 110 . VAL . 52412 1 111 . LEU . 52412 1 112 . ARG . 52412 1 113 . ASP . 52412 1 114 . GLY . 52412 1 115 . ALA . 52412 1 116 . GLY . 52412 1 117 . LYS . 52412 1 118 . TYR . 52412 1 119 . PHE . 52412 1 120 . LEU . 52412 1 121 . TRP . 52412 1 122 . VAL . 52412 1 123 . VAL . 52412 1 124 . LYS . 52412 1 125 . PHE . 52412 1 126 . ASN . 52412 1 127 . SER . 52412 1 128 . LEU . 52412 1 129 . ASN . 52412 1 130 . GLU . 52412 1 131 . LEU . 52412 1 132 . VAL . 52412 1 133 . ASP . 52412 1 134 . TYR . 52412 1 135 . HIS . 52412 1 136 . ARG . 52412 1 137 . SER . 52412 1 138 . THR . 52412 1 139 . SER . 52412 1 140 . VAL . 52412 1 141 . SER . 52412 1 142 . ARG . 52412 1 143 . ASN . 52412 1 144 . GLN . 52412 1 145 . GLN . 52412 1 146 . ILE . 52412 1 147 . PHE . 52412 1 148 . LEU . 52412 1 149 . ARG . 52412 1 150 . ASP . 52412 1 151 . ILE . 52412 1 152 . GLU . 52412 1 153 . GLN . 52412 1 154 . VAL . 52412 1 155 . PRO . 52412 1 156 . GLN . 52412 1 157 . GLN . 52412 1 158 . PRO . 52412 1 159 . THR . 52412 1 160 . TYR . 52412 1 161 . VAL . 52412 1 162 . GLN . 52412 1 163 . ALA . 52412 1 164 . LEU . 52412 1 165 . PHE . 52412 1 166 . ASP . 52412 1 167 . PHE . 52412 1 168 . ASP . 52412 1 169 . PRO . 52412 1 170 . GLN . 52412 1 171 . GLU . 52412 1 172 . ASP . 52412 1 173 . GLY . 52412 1 174 . GLU . 52412 1 175 . LEU . 52412 1 176 . GLY . 52412 1 177 . PHE . 52412 1 178 . ARG . 52412 1 179 . ARG . 52412 1 180 . GLY . 52412 1 181 . ASP . 52412 1 182 . PHE . 52412 1 183 . ILE . 52412 1 184 . HIS . 52412 1 185 . VAL . 52412 1 186 . MET . 52412 1 187 . ASP . 52412 1 188 . ASN . 52412 1 189 . SER . 52412 1 190 . ASP . 52412 1 191 . PRO . 52412 1 192 . ASN . 52412 1 193 . TRP . 52412 1 194 . TRP . 52412 1 195 . LYS . 52412 1 196 . GLY . 52412 1 197 . ALA . 52412 1 198 . ALA . 52412 1 199 . HIS . 52412 1 200 . GLY . 52412 1 201 . GLN . 52412 1 202 . THR . 52412 1 203 . GLY . 52412 1 204 . MET . 52412 1 205 . PHE . 52412 1 206 . PRO . 52412 1 207 . ARG . 52412 1 208 . ASN . 52412 1 209 . TYR . 52412 1 210 . VAL . 52412 1 211 . THR . 52412 1 212 . PRO . 52412 1 213 . VAL . 52412 1 214 . ASN . 52412 1 215 . ARG . 52412 1 216 . ASN . 52412 1 217 . VAL . 52412 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 52412 1 . GLU 2 2 52412 1 . ALA 3 3 52412 1 . ILE 4 4 52412 1 . ALA 5 5 52412 1 . LYS 6 6 52412 1 . TYR 7 7 52412 1 . ASP 8 8 52412 1 . PHE 9 9 52412 1 . LYS 10 10 52412 1 . ALA 11 11 52412 1 . THR 12 12 52412 1 . ALA 13 13 52412 1 . ASP 14 14 52412 1 . ASP 15 15 52412 1 . GLU 16 16 52412 1 . LEU 17 17 52412 1 . SER 18 18 52412 1 . PHE 19 19 52412 1 . LYS 20 20 52412 1 . ARG 21 21 52412 1 . GLY 22 22 52412 1 . ASP 23 23 52412 1 . ILE 24 24 52412 1 . LEU 25 25 52412 1 . LYS 26 26 52412 1 . VAL 27 27 52412 1 . LEU 28 28 52412 1 . ASN 29 29 52412 1 . GLU 30 30 52412 1 . GLU 31 31 52412 1 . SER 32 32 52412 1 . ASP 33 33 52412 1 . GLN 34 34 52412 1 . ASN 35 35 52412 1 . TRP 36 36 52412 1 . TYR 37 37 52412 1 . LYS 38 38 52412 1 . ALA 39 39 52412 1 . GLU 40 40 52412 1 . LEU 41 41 52412 1 . ASN 42 42 52412 1 . GLY 43 43 52412 1 . LYS 44 44 52412 1 . ASP 45 45 52412 1 . GLY 46 46 52412 1 . PHE 47 47 52412 1 . ILE 48 48 52412 1 . PRO 49 49 52412 1 . LYS 50 50 52412 1 . ASN 51 51 52412 1 . TYR 52 52 52412 1 . ILE 53 53 52412 1 . GLU 54 54 52412 1 . MET 55 55 52412 1 . LYS 56 56 52412 1 . PRO 57 57 52412 1 . HIS 58 58 52412 1 . PRO 59 59 52412 1 . TRP 60 60 52412 1 . PHE 61 61 52412 1 . PHE 62 62 52412 1 . GLY 63 63 52412 1 . LYS 64 64 52412 1 . ILE 65 65 52412 1 . PRO 66 66 52412 1 . ARG 67 67 52412 1 . ALA 68 68 52412 1 . LYS 69 69 52412 1 . ALA 70 70 52412 1 . GLU 71 71 52412 1 . GLU 72 72 52412 1 . MET 73 73 52412 1 . LEU 74 74 52412 1 . SER 75 75 52412 1 . LYS 76 76 52412 1 . GLN 77 77 52412 1 . ARG 78 78 52412 1 . HIS 79 79 52412 1 . ASP 80 80 52412 1 . GLY 81 81 52412 1 . ALA 82 82 52412 1 . PHE 83 83 52412 1 . LEU 84 84 52412 1 . ILE 85 85 52412 1 . ARG 86 86 52412 1 . GLU 87 87 52412 1 . SER 88 88 52412 1 . GLU 89 89 52412 1 . SER 90 90 52412 1 . ALA 91 91 52412 1 . PRO 92 92 52412 1 . GLY 93 93 52412 1 . ASP 94 94 52412 1 . PHE 95 95 52412 1 . SER 96 96 52412 1 . LEU 97 97 52412 1 . SER 98 98 52412 1 . VAL 99 99 52412 1 . LYS 100 100 52412 1 . PHE 101 101 52412 1 . GLY 102 102 52412 1 . ASN 103 103 52412 1 . ASP 104 104 52412 1 . VAL 105 105 52412 1 . GLN 106 106 52412 1 . HIS 107 107 52412 1 . PHE 108 108 52412 1 . LYS 109 109 52412 1 . VAL 110 110 52412 1 . LEU 111 111 52412 1 . ARG 112 112 52412 1 . ASP 113 113 52412 1 . GLY 114 114 52412 1 . ALA 115 115 52412 1 . GLY 116 116 52412 1 . LYS 117 117 52412 1 . TYR 118 118 52412 1 . PHE 119 119 52412 1 . LEU 120 120 52412 1 . TRP 121 121 52412 1 . VAL 122 122 52412 1 . VAL 123 123 52412 1 . LYS 124 124 52412 1 . PHE 125 125 52412 1 . ASN 126 126 52412 1 . SER 127 127 52412 1 . LEU 128 128 52412 1 . ASN 129 129 52412 1 . GLU 130 130 52412 1 . LEU 131 131 52412 1 . VAL 132 132 52412 1 . ASP 133 133 52412 1 . TYR 134 134 52412 1 . HIS 135 135 52412 1 . ARG 136 136 52412 1 . SER 137 137 52412 1 . THR 138 138 52412 1 . SER 139 139 52412 1 . VAL 140 140 52412 1 . SER 141 141 52412 1 . ARG 142 142 52412 1 . ASN 143 143 52412 1 . GLN 144 144 52412 1 . GLN 145 145 52412 1 . ILE 146 146 52412 1 . PHE 147 147 52412 1 . LEU 148 148 52412 1 . ARG 149 149 52412 1 . ASP 150 150 52412 1 . ILE 151 151 52412 1 . GLU 152 152 52412 1 . GLN 153 153 52412 1 . VAL 154 154 52412 1 . PRO 155 155 52412 1 . GLN 156 156 52412 1 . GLN 157 157 52412 1 . PRO 158 158 52412 1 . THR 159 159 52412 1 . TYR 160 160 52412 1 . VAL 161 161 52412 1 . GLN 162 162 52412 1 . ALA 163 163 52412 1 . LEU 164 164 52412 1 . PHE 165 165 52412 1 . ASP 166 166 52412 1 . PHE 167 167 52412 1 . ASP 168 168 52412 1 . PRO 169 169 52412 1 . GLN 170 170 52412 1 . GLU 171 171 52412 1 . ASP 172 172 52412 1 . GLY 173 173 52412 1 . GLU 174 174 52412 1 . LEU 175 175 52412 1 . GLY 176 176 52412 1 . PHE 177 177 52412 1 . ARG 178 178 52412 1 . ARG 179 179 52412 1 . GLY 180 180 52412 1 . ASP 181 181 52412 1 . PHE 182 182 52412 1 . ILE 183 183 52412 1 . HIS 184 184 52412 1 . VAL 185 185 52412 1 . MET 186 186 52412 1 . ASP 187 187 52412 1 . ASN 188 188 52412 1 . SER 189 189 52412 1 . ASP 190 190 52412 1 . PRO 191 191 52412 1 . ASN 192 192 52412 1 . TRP 193 193 52412 1 . TRP 194 194 52412 1 . LYS 195 195 52412 1 . GLY 196 196 52412 1 . ALA 197 197 52412 1 . ALA 198 198 52412 1 . HIS 199 199 52412 1 . GLY 200 200 52412 1 . GLN 201 201 52412 1 . THR 202 202 52412 1 . GLY 203 203 52412 1 . MET 204 204 52412 1 . PHE 205 205 52412 1 . PRO 206 206 52412 1 . ARG 207 207 52412 1 . ASN 208 208 52412 1 . TYR 209 209 52412 1 . VAL 210 210 52412 1 . THR 211 211 52412 1 . PRO 212 212 52412 1 . VAL 213 213 52412 1 . ASN 214 214 52412 1 . ARG 215 215 52412 1 . ASN 216 216 52412 1 . VAL 217 217 52412 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 52412 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; VPPPVPPRRR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 10 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'A proline rich motif (SH3 binding site) derived from SOS1.' _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 . VAL . 52412 2 2 . PRO . 52412 2 3 . PRO . 52412 2 4 . PRO . 52412 2 5 . VAL . 52412 2 6 . PRO . 52412 2 7 . PRO . 52412 2 8 . ARG . 52412 2 9 . ARG . 52412 2 10 . ARG . 52412 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 . VAL 1 1 52412 2 . PRO 2 2 52412 2 . PRO 3 3 52412 2 . PRO 4 4 52412 2 . VAL 5 5 52412 2 . PRO 6 6 52412 2 . PRO 7 7 52412 2 . ARG 8 8 52412 2 . ARG 9 9 52412 2 . ARG 10 10 52412 2 stop_ save_ save_entity_3 _Entity.Sf_category entity _Entity.Sf_framecode entity_3 _Entity.Entry_ID 52412 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name entity_3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; EXINSQV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'A SH2 binding site with a phosphorylated tyrosine derived from EGFR; EpYINSQV.' _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 . GLU . 52412 3 2 . PTR . 52412 3 3 . ILE . 52412 3 4 . ASN . 52412 3 5 . SER . 52412 3 6 . GLN . 52412 3 7 . VAL . 52412 3 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 . GLU 1 1 52412 3 . PTR 2 2 52412 3 . ILE 3 3 52412 3 . ASN 4 4 52412 3 . SER 5 5 52412 3 . GLN 6 6 52412 3 . VAL 7 7 52412 3 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52412 _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 . . . . . . . . . . . . . 52412 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52412 _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' . . . Escherichia coli 'BL21 (DE3) pLys' . . plasmid . . pET14b . . . 52412 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PTR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PTR _Chem_comp.Entry_ID 52412 _Chem_comp.ID PTR _Chem_comp.Provenance PDB _Chem_comp.Name O-PHOSPHOTYROSINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code PTR _Chem_comp.PDB_code PTR _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 Y _Chem_comp.Three_letter_code PTR _Chem_comp.Number_atoms_all 29 _Chem_comp.Number_atoms_nh 17 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/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 TYR _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 PHOSPHONOTYROSINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C9 H12 N O6 P' _Chem_comp.Formula_weight 261.168 _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 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 DCWXELXMIBXGTH-QMMMGPOBSA-N InChIKey InChI 1.03 52412 PTR InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 InChI InChI 1.03 52412 PTR N[C@@H](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O SMILES_CANONICAL CACTVS 3.341 52412 PTR N[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O SMILES CACTVS 3.341 52412 PTR O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O SMILES ACDLabs 10.04 52412 PTR c1cc(ccc1CC(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 52412 PTR c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 52412 PTR 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 '(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 52412 PTR O-phosphono-L-tyrosine 'SYSTEMATIC NAME' ACDLabs 10.04 52412 PTR 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 N N N N . N . . N 0 . . . 1 N N . . . . 46.366 . 11.139 . -0.665 . 1.298 0.975 3.302 1 . 52412 PTR CA CA CA CA . C . . S 0 . . . 1 N N . . . . 44.969 . 11.616 . -0.749 . -0.036 0.399 3.512 2 . 52412 PTR C C C C . C . . N 0 . . . 1 N N . . . . 44.978 . 13.010 . -1.358 . -0.148 -0.106 4.928 3 . 52412 PTR O O O O . O . . N 0 . . . 1 N N . . . . 43.891 . 13.514 . -1.708 . 0.833 -0.507 5.505 4 . 52412 PTR OXT OXT OXT OXT . O . . N 0 . . . 1 N Y . . . . 46.088 . 13.575 . -1.497 . -1.339 -0.110 5.546 5 . 52412 PTR CB CB CB CB . C . . N 0 . . . 1 N N . . . . 44.332 . 11.618 . 0.644 . -0.250 -0.760 2.538 6 . 52412 PTR CG CG CG CG . C . . N 0 . . . 1 Y N . . . . 44.885 . 12.640 . 1.620 . -0.138 -0.254 1.123 7 . 52412 PTR CD1 CD1 CD1 CD1 . C . . N 0 . . . 1 Y N . . . . 45.913 . 12.302 . 2.506 . 1.089 -0.250 0.487 8 . 52412 PTR CD2 CD2 CD2 CD2 . C . . N 0 . . . 1 Y N . . . . 44.319 . 13.921 . 1.716 . -1.264 0.198 0.461 9 . 52412 PTR CE1 CE1 CE1 CE1 . C . . N 0 . . . 1 Y N . . . . 46.364 . 13.214 . 3.480 . 1.194 0.212 -0.810 10 . 52412 PTR CE2 CE2 CE2 CE2 . C . . N 0 . . . 1 Y N . . . . 44.753 . 14.849 . 2.683 . -1.163 0.668 -0.834 11 . 52412 PTR CZ CZ CZ CZ . C . . N 0 . . . 1 Y N . . . . 45.772 . 14.487 . 3.562 . 0.067 0.673 -1.474 12 . 52412 PTR OH OH OH OH . O . . N 0 . . . 1 N N . . . . 46.216 . 15.385 . 4.594 . 0.168 1.129 -2.750 13 . 52412 PTR P P P P . P . . N 0 . . . 1 N N . . . . 45.382 . 15.884 . 5.757 . -0.065 -0.136 -3.717 14 . 52412 PTR O1P O1P O1P O1P . O . . N 0 . . . 1 N N . . . . 44.096 . 16.422 . 5.355 . -1.409 -0.705 -3.467 15 . 52412 PTR O2P O2P O2P O2P . O . . N 0 . . . 1 N N . . . . 46.274 . 16.938 . 6.218 . 0.040 0.334 -5.253 16 . 52412 PTR O3P O3P O3P O3P . O . . N 0 . . . 1 N N . . . . 45.279 . 14.830 . 6.778 . 1.053 -1.253 -3.419 17 . 52412 PTR H H H 1HN . H . . N 0 . . . 1 N N . . . . 46.360 . 10.204 . -0.256 . 1.963 0.235 3.473 18 . 52412 PTR HN2 HN2 HN2 2HN . H . . N 0 . . . 1 N Y . . . . 46.972 . 11.785 . -0.159 . 1.365 1.204 2.322 19 . 52412 PTR HA HA HA HA . H . . N 0 . . . 1 N N . . . . 44.360 . 10.939 . -1.392 . -0.793 1.164 3.339 20 . 52412 PTR HXT HXT HXT HXT . H . . N 0 . . . 1 N Y . . . . 46.093 . 14.445 . -1.877 . -1.411 -0.435 6.454 21 . 52412 PTR HB2 HB2 HB2 1HB . H . . N 0 . . . 1 N N . . . . 43.226 . 11.735 . 0.556 . 0.506 -1.525 2.711 22 . 52412 PTR HB3 HB3 HB3 2HB . H . . N 0 . . . 1 N N . . . . 44.388 . 10.597 . 1.089 . -1.241 -1.187 2.694 23 . 52412 PTR HD1 HD1 HD1 HD1 . H . . N 0 . . . 1 N N . . . . 46.374 . 11.302 . 2.435 . 1.966 -0.609 1.004 24 . 52412 PTR HD2 HD2 HD2 HD2 . H . . N 0 . . . 1 N N . . . . 43.515 . 14.204 . 1.015 . -2.222 0.194 0.959 25 . 52412 PTR HE1 HE1 HE1 HE1 . H . . N 0 . . . 1 N N . . . . 47.174 . 12.933 . 4.173 . 2.154 0.216 -1.306 26 . 52412 PTR HE2 HE2 HE2 HE2 . H . . N 0 . . . 1 N N . . . . 44.298 . 15.851 . 2.751 . -2.041 1.026 -1.349 27 . 52412 PTR HO2P HO2P HO2P PHO2 . H . . N 0 . . . 0 N N . . . . 45.751 . 17.250 . 6.947 . -0.105 -0.451 -5.797 28 . 52412 PTR HO3P HO3P HO3P PHO3 . H . . N 0 . . . 0 N N . . . . 44.756 . 15.142 . 7.507 . 1.911 -0.843 -3.593 29 . 52412 PTR 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 N CA N N 1 . 52412 PTR 2 . SING N H N N 2 . 52412 PTR 3 . SING N HN2 N N 3 . 52412 PTR 4 . SING CA C N N 4 . 52412 PTR 5 . SING CA CB N N 5 . 52412 PTR 6 . SING CA HA N N 6 . 52412 PTR 7 . DOUB C O N N 7 . 52412 PTR 8 . SING C OXT N N 8 . 52412 PTR 9 . SING OXT HXT N N 9 . 52412 PTR 10 . SING CB CG N N 10 . 52412 PTR 11 . SING CB HB2 N N 11 . 52412 PTR 12 . SING CB HB3 N N 12 . 52412 PTR 13 . DOUB CG CD1 Y N 13 . 52412 PTR 14 . SING CG CD2 Y N 14 . 52412 PTR 15 . SING CD1 CE1 Y N 15 . 52412 PTR 16 . SING CD1 HD1 N N 16 . 52412 PTR 17 . DOUB CD2 CE2 Y N 17 . 52412 PTR 18 . SING CD2 HD2 N N 18 . 52412 PTR 19 . DOUB CE1 CZ Y N 19 . 52412 PTR 20 . SING CE1 HE1 N N 20 . 52412 PTR 21 . SING CE2 CZ Y N 21 . 52412 PTR 22 . SING CE2 HE2 N N 22 . 52412 PTR 23 . SING CZ OH N N 23 . 52412 PTR 24 . SING OH P N N 24 . 52412 PTR 25 . DOUB P O1P N N 25 . 52412 PTR 26 . SING P O2P N N 26 . 52412 PTR 27 . SING P O3P N N 27 . 52412 PTR 28 . SING O2P HO2P N N 28 . 52412 PTR 29 . SING O3P HO3P N N 29 . 52412 PTR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52412 _Sample.ID 1 _Sample.Name 'GRB2 15N GRB2' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 GRB2 '[U-100% 15N]' . . 1 $entity_1 . . 400 . . uM 100 . . . 52412 1 2 Na2HPO4-NaH2PO4 'natural abundance' . . . . . . 20 . . mM . . . . 52412 1 3 NaN3 'natural abundance' . . . . . . 0.05 . . % . . . . 52412 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 52412 _Sample.ID 2 _Sample.Name 'GRB2 13C/15N GRB2' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 GRB2 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 400 . . uM 100 . . . 52412 2 2 Na2HPO4-NaH2PO4 'natural abundance' . . . . . . 20 . . mM . . . . 52412 2 3 NaN3 'natural abundance' . . . . . . 0.05 . . % . . . . 52412 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 52412 _Sample.ID 3 _Sample.Name 'GRB2 2H/13C/15N GRB2' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 GRB2 '[U-100% 13C; U-100% 15N; U-90% 2H]' . . 1 $entity_1 . . 400 . . uM 100 . . . 52412 3 2 Na2HPO4-NaH2PO4 'natural abundance' . . . . . . 20 . . mM . . . . 52412 3 3 NaN3 'natural abundance' . . . . . . 0.05 . . % . . . . 52412 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 52412 _Sample_condition_list.ID 1 _Sample_condition_list.Name '15N GRB2' _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' 20 . mM 52412 1 pH 7.5 . pH 52412 1 pressure 1 . atm 52412 1 temperature 298 . K 52412 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 52412 _Sample_condition_list.ID 2 _Sample_condition_list.Name '13C/15N GRB2' _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' 20 . mM 52412 2 pH 7.5 . pH 52412 2 pressure 1 . atm 52412 2 temperature 298 . K 52412 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 52412 _Sample_condition_list.ID 3 _Sample_condition_list.Name '2H/13C/15N GRB2' _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' 20 . mM 52412 3 pH 7.5 . pH 52412 3 pressure 1 . atm 52412 3 temperature 298 . K 52412 3 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52412 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version '3.5 PL7' _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52412 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52412 _Software.ID 2 _Software.Type . _Software.Name AZARA _Software.Version 2.8.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52412 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52412 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version 2.5.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52412 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 52412 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'AVANCE-III HD 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 52412 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'AVANCE-III 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52412 _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 no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52412 1 2 '3D HNCO' no yes no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52412 1 3 '3D HN(CA)CO' no yes no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52412 1 4 '3D CBCACONH' no yes . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52412 1 5 '3D CBCA(CO)NH' no yes . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52412 1 6 '3D HNCA' no yes . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52412 1 7 '3D HN(CA)CO' no yes . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52412 1 8 '2D 1H-13C HSQC' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52412 1 9 '3D HCCH-TOCSY' no yes no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52412 1 10 '3D HCCH-COSY' no yes no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52412 1 11 '3D C(CO)NH' no yes no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52412 1 12 '3D H(CCO)NH' no yes no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52412 1 13 '3D HBHA(CO)NH' no yes no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52412 1 14 '3D TROSY-HNCO' no yes yes . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52412 1 15 '3D TROSY-HNCA' no yes yes . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52412 1 16 '3D TROSY-HN(CA)CO' no yes yes . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52412 1 17 '3D TROSY-HN(CO)CA' no yes yes . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52412 1 18 '3D TROSY-HNCACB' no yes yes . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52412 1 19 '3D TROSY-HN(CO)CACB' no yes yes . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52412 1 20 '3D 13C-separated NOESY' no yes no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52412 1 21 '3D 15N-separated NOESY' no yes no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52412 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 52412 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name GRB2 _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 internal indirect . . . . . . 52412 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52412 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 52412 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 52412 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Backbone and side-chain resonances of GRB2' _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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' . . . 52412 1 20 '3D 13C-separated NOESY' . . . 52412 1 21 '3D 15N-separated NOESY' . . . 52412 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 52412 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 3 3 ALA H H 1 8.979 . . . . . . . . 3 ALA H . 52412 1 2 . 1 . 1 3 3 ALA HB1 H 1 1.096 . . . . . . . . 3 ALA HB# . 52412 1 3 . 1 . 1 3 3 ALA HB2 H 1 1.096 . . . . . . . . 3 ALA HB# . 52412 1 4 . 1 . 1 3 3 ALA HB3 H 1 1.096 . . . . . . . . 3 ALA HB# . 52412 1 5 . 1 . 1 3 3 ALA C C 13 174.429 . . . . . . . . 3 ALA C . 52412 1 6 . 1 . 1 3 3 ALA CA C 13 47.915 . . . . . . . . 3 ALA CA . 52412 1 7 . 1 . 1 3 3 ALA CB C 13 21.716 . . . . . . . . 3 ALA CB . 52412 1 8 . 1 . 1 3 3 ALA N N 15 123.372 . . . . . . . . 3 ALA N . 52412 1 9 . 1 . 1 4 4 ILE H H 1 8.596 . . . . . . . . 4 ILE H . 52412 1 10 . 1 . 1 4 4 ILE HB H 1 1.534 . . . . . . . . 4 ILE HB . 52412 1 11 . 1 . 1 4 4 ILE HG12 H 1 0.931 . . . . . . . . 4 ILE HG12 . 52412 1 12 . 1 . 1 4 4 ILE HG13 H 1 1.340 . . . . . . . . 4 ILE HG13 . 52412 1 13 . 1 . 1 4 4 ILE HD11 H 1 0.708 . . . . . . . . 4 ILE QD1 . 52412 1 14 . 1 . 1 4 4 ILE HD12 H 1 0.708 . . . . . . . . 4 ILE QD1 . 52412 1 15 . 1 . 1 4 4 ILE HD13 H 1 0.708 . . . . . . . . 4 ILE QD1 . 52412 1 16 . 1 . 1 4 4 ILE C C 13 176.544 . . . . . . . . 4 ILE C . 52412 1 17 . 1 . 1 4 4 ILE CA C 13 56.525 . . . . . . . . 4 ILE CA . 52412 1 18 . 1 . 1 4 4 ILE CB C 13 37.349 . . . . . . . . 4 ILE CB . 52412 1 19 . 1 . 1 4 4 ILE CG1 C 13 25.105 . . . . . . . . 4 ILE CG1 . 52412 1 20 . 1 . 1 4 4 ILE CD1 C 13 10.442 . . . . . . . . 4 ILE CD1 . 52412 1 21 . 1 . 1 4 4 ILE N N 15 119.605 . . . . . . . . 4 ILE N . 52412 1 22 . 1 . 1 5 5 ALA H H 1 8.776 . . . . . . . . 5 ALA H . 52412 1 23 . 1 . 1 5 5 ALA HB1 H 1 1.564 . . . . . . . . 5 ALA HB# . 52412 1 24 . 1 . 1 5 5 ALA HB2 H 1 1.564 . . . . . . . . 5 ALA HB# . 52412 1 25 . 1 . 1 5 5 ALA HB3 H 1 1.564 . . . . . . . . 5 ALA HB# . 52412 1 26 . 1 . 1 5 5 ALA C C 13 178.911 . . . . . . . . 5 ALA C . 52412 1 27 . 1 . 1 5 5 ALA CA C 13 50.059 . . . . . . . . 5 ALA CA . 52412 1 28 . 1 . 1 5 5 ALA CB C 13 18.509 . . . . . . . . 5 ALA CB . 52412 1 29 . 1 . 1 5 5 ALA N N 15 128.359 . . . . . . . . 5 ALA N . 52412 1 30 . 1 . 1 6 6 LYS H H 1 9.296 . . . . . . . . 6 LYS H . 52412 1 31 . 1 . 1 6 6 LYS HA H 1 3.862 . . . . . . . . 6 LYS HA . 52412 1 32 . 1 . 1 6 6 LYS HG2 H 1 0.910 . . . . . . . . 6 LYS HG2 . 52412 1 33 . 1 . 1 6 6 LYS HG3 H 1 1.030 . . . . . . . . 6 LYS HG3 . 52412 1 34 . 1 . 1 6 6 LYS C C 13 174.440 . . . . . . . . 6 LYS C . 52412 1 35 . 1 . 1 6 6 LYS CA C 13 54.324 . . . . . . . . 6 LYS CA . 52412 1 36 . 1 . 1 6 6 LYS CB C 13 30.144 . . . . . . . . 6 LYS CB . 52412 1 37 . 1 . 1 6 6 LYS CG C 13 21.660 . . . . . . . . 6 LYS CG . 52412 1 38 . 1 . 1 6 6 LYS N N 15 125.862 . . . . . . . . 6 LYS N . 52412 1 39 . 1 . 1 7 7 TYR H H 1 7.248 . . . . . . . . 7 TYR H . 52412 1 40 . 1 . 1 7 7 TYR HA H 1 4.756 . . . . . . . . 7 TYR HA . 52412 1 41 . 1 . 1 7 7 TYR HB2 H 1 2.508 . . . . . . . . 7 TYR HB2 . 52412 1 42 . 1 . 1 7 7 TYR HB3 H 1 3.206 . . . . . . . . 7 TYR HB3 . 52412 1 43 . 1 . 1 7 7 TYR C C 13 173.248 . . . . . . . . 7 TYR C . 52412 1 44 . 1 . 1 7 7 TYR CA C 13 51.624 . . . . . . . . 7 TYR CA . 52412 1 45 . 1 . 1 7 7 TYR CB C 13 40.435 . . . . . . . . 7 TYR CB . 52412 1 46 . 1 . 1 7 7 TYR N N 15 112.425 . . . . . . . . 7 TYR N . 52412 1 47 . 1 . 1 8 8 ASP H H 1 8.316 . . . . . . . . 8 ASP H . 52412 1 48 . 1 . 1 8 8 ASP HA H 1 4.603 . . . . . . . . 8 ASP HA . 52412 1 49 . 1 . 1 8 8 ASP HB2 H 1 2.652 . . . . . . . . 8 ASP HB2 . 52412 1 50 . 1 . 1 8 8 ASP HB3 H 1 2.747 . . . . . . . . 8 ASP HB3 . 52412 1 51 . 1 . 1 8 8 ASP C C 13 175.588 . . . . . . . . 8 ASP C . 52412 1 52 . 1 . 1 8 8 ASP CA C 13 52.000 . . . . . . . . 8 ASP CA . 52412 1 53 . 1 . 1 8 8 ASP CB C 13 36.025 . . . . . . . . 8 ASP CB . 52412 1 54 . 1 . 1 8 8 ASP N N 15 117.717 . . . . . . . . 8 ASP N . 52412 1 55 . 1 . 1 9 9 PHE H H 1 8.389 . . . . . . . . 9 PHE H . 52412 1 56 . 1 . 1 9 9 PHE HA H 1 4.463 . . . . . . . . 9 PHE HA . 52412 1 57 . 1 . 1 9 9 PHE C C 13 172.690 . . . . . . . . 9 PHE C . 52412 1 58 . 1 . 1 9 9 PHE CA C 13 54.699 . . . . . . . . 9 PHE CA . 52412 1 59 . 1 . 1 9 9 PHE CB C 13 39.646 . . . . . . . . 9 PHE CB . 52412 1 60 . 1 . 1 9 9 PHE N N 15 120.963 . . . . . . . . 9 PHE N . 52412 1 61 . 1 . 1 10 10 LYS H H 1 7.272 . . . . . . . . 10 LYS H . 52412 1 62 . 1 . 1 10 10 LYS HB2 H 1 1.272 . . . . . . . . 10 LYS HB2 . 52412 1 63 . 1 . 1 10 10 LYS HB3 H 1 1.373 . . . . . . . . 10 LYS HB3 . 52412 1 64 . 1 . 1 10 10 LYS HG2 H 1 1.097 . . . . . . . . 10 LYS HG2 . 52412 1 65 . 1 . 1 10 10 LYS HG3 H 1 1.156 . . . . . . . . 10 LYS HG3 . 52412 1 66 . 1 . 1 10 10 LYS C C 13 173.127 . . . . . . . . 10 LYS C . 52412 1 67 . 1 . 1 10 10 LYS CA C 13 50.710 . . . . . . . . 10 LYS CA . 52412 1 68 . 1 . 1 10 10 LYS CB C 13 29.857 . . . . . . . . 10 LYS CB . 52412 1 69 . 1 . 1 10 10 LYS CG C 13 21.669 . . . . . . . . 10 LYS CG . 52412 1 70 . 1 . 1 10 10 LYS CE C 13 39.206 . . . . . . . . 10 LYS CE . 52412 1 71 . 1 . 1 10 10 LYS N N 15 128.713 . . . . . . . . 10 LYS N . 52412 1 72 . 1 . 1 11 11 ALA H H 1 8.057 . . . . . . . . 11 ALA H . 52412 1 73 . 1 . 1 11 11 ALA HA H 1 3.789 . . . . . . . . 11 ALA HA . 52412 1 74 . 1 . 1 11 11 ALA HB1 H 1 1.268 . . . . . . . . 11 ALA HB# . 52412 1 75 . 1 . 1 11 11 ALA HB2 H 1 1.268 . . . . . . . . 11 ALA HB# . 52412 1 76 . 1 . 1 11 11 ALA HB3 H 1 1.268 . . . . . . . . 11 ALA HB# . 52412 1 77 . 1 . 1 11 11 ALA C C 13 178.338 . . . . . . . . 11 ALA C . 52412 1 78 . 1 . 1 11 11 ALA CA C 13 50.422 . . . . . . . . 11 ALA CA . 52412 1 79 . 1 . 1 11 11 ALA CB C 13 17.649 . . . . . . . . 11 ALA CB . 52412 1 80 . 1 . 1 11 11 ALA N N 15 126.482 . . . . . . . . 11 ALA N . 52412 1 81 . 1 . 1 12 12 THR H H 1 8.942 . . . . . . . . 12 THR H . 52412 1 82 . 1 . 1 12 12 THR HA H 1 4.293 . . . . . . . . 12 THR HA . 52412 1 83 . 1 . 1 12 12 THR HB H 1 4.293 . . . . . . . . 12 THR HB . 52412 1 84 . 1 . 1 12 12 THR HG21 H 1 1.176 . . . . . . . . 12 THR QG2 . 52412 1 85 . 1 . 1 12 12 THR HG22 H 1 1.176 . . . . . . . . 12 THR QG2 . 52412 1 86 . 1 . 1 12 12 THR HG23 H 1 1.176 . . . . . . . . 12 THR QG2 . 52412 1 87 . 1 . 1 12 12 THR C C 13 173.346 . . . . . . . . 12 THR C . 52412 1 88 . 1 . 1 12 12 THR CA C 13 59.036 . . . . . . . . 12 THR CA . 52412 1 89 . 1 . 1 12 12 THR CB C 13 67.134 . . . . . . . . 12 THR CB . 52412 1 90 . 1 . 1 12 12 THR N N 15 113.355 . . . . . . . . 12 THR N . 52412 1 91 . 1 . 1 13 13 ALA H H 1 7.415 . . . . . . . . 13 ALA H . 52412 1 92 . 1 . 1 13 13 ALA HA H 1 4.416 . . . . . . . . 13 ALA HA . 52412 1 93 . 1 . 1 13 13 ALA HB1 H 1 1.269 . . . . . . . . 13 ALA HB# . 52412 1 94 . 1 . 1 13 13 ALA HB2 H 1 1.269 . . . . . . . . 13 ALA HB# . 52412 1 95 . 1 . 1 13 13 ALA HB3 H 1 1.269 . . . . . . . . 13 ALA HB# . 52412 1 96 . 1 . 1 13 13 ALA C C 13 178.248 . . . . . . . . 13 ALA C . 52412 1 97 . 1 . 1 13 13 ALA CA C 13 47.974 . . . . . . . . 13 ALA CA . 52412 1 98 . 1 . 1 13 13 ALA CB C 13 19.493 . . . . . . . . 13 ALA CB . 52412 1 99 . 1 . 1 13 13 ALA N N 15 123.338 . . . . . . . . 13 ALA N . 52412 1 100 . 1 . 1 14 14 ASP H H 1 8.619 . . . . . . . . 14 ASP H . 52412 1 101 . 1 . 1 14 14 ASP HA H 1 4.344 . . . . . . . . 14 ASP HA . 52412 1 102 . 1 . 1 14 14 ASP HB2 H 1 2.583 . . . . . . . . 14 ASP HB2 . 52412 1 103 . 1 . 1 14 14 ASP HB3 H 1 2.672 . . . . . . . . 14 ASP HB3 . 52412 1 104 . 1 . 1 14 14 ASP C C 13 175.798 . . . . . . . . 14 ASP C . 52412 1 105 . 1 . 1 14 14 ASP CA C 13 53.943 . . . . . . . . 14 ASP CA . 52412 1 106 . 1 . 1 14 14 ASP CB C 13 37.652 . . . . . . . . 14 ASP CB . 52412 1 107 . 1 . 1 14 14 ASP N N 15 118.499 . . . . . . . . 14 ASP N . 52412 1 108 . 1 . 1 15 15 ASP H H 1 8.098 . . . . . . . . 15 ASP H . 52412 1 109 . 1 . 1 15 15 ASP C C 13 175.841 . . . . . . . . 15 ASP C . 52412 1 110 . 1 . 1 15 15 ASP CA C 13 49.951 . . . . . . . . 15 ASP CA . 52412 1 111 . 1 . 1 15 15 ASP CB C 13 36.586 . . . . . . . . 15 ASP CB . 52412 1 112 . 1 . 1 15 15 ASP N N 15 115.230 . . . . . . . . 15 ASP N . 52412 1 113 . 1 . 1 16 16 GLU H H 1 7.446 . . . . . . . . 16 GLU H . 52412 1 114 . 1 . 1 16 16 GLU HB3 H 1 2.259 . . . . . . . . 16 GLU HB3 . 52412 1 115 . 1 . 1 16 16 GLU C C 13 175.305 . . . . . . . . 16 GLU C . 52412 1 116 . 1 . 1 16 16 GLU CA C 13 52.297 . . . . . . . . 16 GLU CA . 52412 1 117 . 1 . 1 16 16 GLU CB C 13 29.581 . . . . . . . . 16 GLU CB . 52412 1 118 . 1 . 1 16 16 GLU N N 15 119.506 . . . . . . . . 16 GLU N . 52412 1 119 . 1 . 1 17 17 LEU H H 1 8.089 . . . . . . . . 17 LEU H . 52412 1 120 . 1 . 1 17 17 LEU HG H 1 1.483 . . . . . . . . 17 LEU HG . 52412 1 121 . 1 . 1 17 17 LEU HD11 H 1 0.696 . . . . . . . . 17 LEU QD1 . 52412 1 122 . 1 . 1 17 17 LEU HD12 H 1 0.696 . . . . . . . . 17 LEU QD1 . 52412 1 123 . 1 . 1 17 17 LEU HD13 H 1 0.696 . . . . . . . . 17 LEU QD1 . 52412 1 124 . 1 . 1 17 17 LEU HD21 H 1 0.780 . . . . . . . . 17 LEU QD2 . 52412 1 125 . 1 . 1 17 17 LEU HD22 H 1 0.780 . . . . . . . . 17 LEU QD2 . 52412 1 126 . 1 . 1 17 17 LEU HD23 H 1 0.780 . . . . . . . . 17 LEU QD2 . 52412 1 127 . 1 . 1 17 17 LEU C C 13 174.699 . . . . . . . . 17 LEU C . 52412 1 128 . 1 . 1 17 17 LEU CA C 13 50.909 . . . . . . . . 17 LEU CA . 52412 1 129 . 1 . 1 17 17 LEU CB C 13 41.800 . . . . . . . . 17 LEU CB . 52412 1 130 . 1 . 1 17 17 LEU CD1 C 13 21.762 . . . . . . . . 17 LEU CD1 . 52412 1 131 . 1 . 1 17 17 LEU CD2 C 13 21.823 . . . . . . . . 17 LEU CD2 . 52412 1 132 . 1 . 1 17 17 LEU N N 15 123.590 . . . . . . . . 17 LEU N . 52412 1 133 . 1 . 1 18 18 SER H H 1 7.722 . . . . . . . . 18 SER H . 52412 1 134 . 1 . 1 18 18 SER C C 13 173.860 . . . . . . . . 18 SER C . 52412 1 135 . 1 . 1 18 18 SER CA C 13 56.206 . . . . . . . . 18 SER CA . 52412 1 136 . 1 . 1 18 18 SER CB C 13 62.312 . . . . . . . . 18 SER CB . 52412 1 137 . 1 . 1 18 18 SER N N 15 116.618 . . . . . . . . 18 SER N . 52412 1 138 . 1 . 1 19 19 PHE H H 1 8.706 . . . . . . . . 19 PHE H . 52412 1 139 . 1 . 1 19 19 PHE HA H 1 4.795 . . . . . . . . 19 PHE HA . 52412 1 140 . 1 . 1 19 19 PHE HB2 H 1 3.311 . . . . . . . . 19 PHE HB2 . 52412 1 141 . 1 . 1 19 19 PHE HB3 H 1 3.312 . . . . . . . . 19 PHE HB3 . 52412 1 142 . 1 . 1 19 19 PHE C C 13 173.599 . . . . . . . . 19 PHE C . 52412 1 143 . 1 . 1 19 19 PHE CA C 13 54.193 . . . . . . . . 19 PHE CA . 52412 1 144 . 1 . 1 19 19 PHE CB C 13 37.343 . . . . . . . . 19 PHE CB . 52412 1 145 . 1 . 1 19 19 PHE N N 15 115.731 . . . . . . . . 19 PHE N . 52412 1 146 . 1 . 1 20 20 LYS H H 1 9.589 . . . . . . . . 20 LYS H . 52412 1 147 . 1 . 1 20 20 LYS HA H 1 4.972 . . . . . . . . 20 LYS HA . 52412 1 148 . 1 . 1 20 20 LYS HD2 H 1 1.707 . . . . . . . . 20 LYS HD2 . 52412 1 149 . 1 . 1 20 20 LYS HD3 H 1 1.708 . . . . . . . . 20 LYS HD3 . 52412 1 150 . 1 . 1 20 20 LYS C C 13 175.725 . . . . . . . . 20 LYS C . 52412 1 151 . 1 . 1 20 20 LYS CA C 13 50.819 . . . . . . . . 20 LYS CA . 52412 1 152 . 1 . 1 20 20 LYS CB C 13 31.897 . . . . . . . . 20 LYS CB . 52412 1 153 . 1 . 1 20 20 LYS CD C 13 32.504 . . . . . . . . 20 LYS CD . 52412 1 154 . 1 . 1 20 20 LYS N N 15 121.228 . . . . . . . . 20 LYS N . 52412 1 155 . 1 . 1 21 21 ARG H H 1 9.076 . . . . . . . . 21 ARG H . 52412 1 156 . 1 . 1 21 21 ARG HB2 H 1 1.366 . . . . . . . . 21 ARG HB2 . 52412 1 157 . 1 . 1 21 21 ARG C C 13 176.944 . . . . . . . . 21 ARG C . 52412 1 158 . 1 . 1 21 21 ARG CA C 13 55.625 . . . . . . . . 21 ARG CA . 52412 1 159 . 1 . 1 21 21 ARG CB C 13 26.801 . . . . . . . . 21 ARG CB . 52412 1 160 . 1 . 1 21 21 ARG CG C 13 24.287 . . . . . . . . 21 ARG CG . 52412 1 161 . 1 . 1 21 21 ARG N N 15 120.807 . . . . . . . . 21 ARG N . 52412 1 162 . 1 . 1 22 22 GLY H H 1 8.848 . . . . . . . . 22 GLY H . 52412 1 163 . 1 . 1 22 22 GLY HA2 H 1 3.373 . . . . . . . . 22 GLY HA2 . 52412 1 164 . 1 . 1 22 22 GLY HA3 H 1 4.340 . . . . . . . . 22 GLY HA3 . 52412 1 165 . 1 . 1 22 22 GLY C C 13 174.046 . . . . . . . . 22 GLY C . 52412 1 166 . 1 . 1 22 22 GLY CA C 13 42.124 . . . . . . . . 22 GLY CA . 52412 1 167 . 1 . 1 22 22 GLY N N 15 115.171 . . . . . . . . 22 GLY N . 52412 1 168 . 1 . 1 23 23 ASP H H 1 8.460 . . . . . . . . 23 ASP H . 52412 1 169 . 1 . 1 23 23 ASP HA H 1 4.454 . . . . . . . . 23 ASP HA . 52412 1 170 . 1 . 1 23 23 ASP C C 13 174.630 . . . . . . . . 23 ASP C . 52412 1 171 . 1 . 1 23 23 ASP CA C 13 53.289 . . . . . . . . 23 ASP CA . 52412 1 172 . 1 . 1 23 23 ASP CB C 13 38.746 . . . . . . . . 23 ASP CB . 52412 1 173 . 1 . 1 23 23 ASP N N 15 122.053 . . . . . . . . 23 ASP N . 52412 1 174 . 1 . 1 24 24 ILE H H 1 8.130 . . . . . . . . 24 ILE H . 52412 1 175 . 1 . 1 24 24 ILE HG12 H 1 1.174 . . . . . . . . 24 ILE HG12 . 52412 1 176 . 1 . 1 24 24 ILE HG13 H 1 1.497 . . . . . . . . 24 ILE HG13 . 52412 1 177 . 1 . 1 24 24 ILE HD11 H 1 0.707 . . . . . . . . 24 ILE QD1 . 52412 1 178 . 1 . 1 24 24 ILE HD12 H 1 0.707 . . . . . . . . 24 ILE QD1 . 52412 1 179 . 1 . 1 24 24 ILE HD13 H 1 0.707 . . . . . . . . 24 ILE QD1 . 52412 1 180 . 1 . 1 24 24 ILE C C 13 175.541 . . . . . . . . 24 ILE C . 52412 1 181 . 1 . 1 24 24 ILE CA C 13 56.470 . . . . . . . . 24 ILE CA . 52412 1 182 . 1 . 1 24 24 ILE CB C 13 33.695 . . . . . . . . 24 ILE CB . 52412 1 183 . 1 . 1 24 24 ILE CG1 C 13 23.992 . . . . . . . . 24 ILE CG1 . 52412 1 184 . 1 . 1 24 24 ILE CG2 C 13 18.569 . . . . . . . . 24 ILE CG2 . 52412 1 185 . 1 . 1 24 24 ILE CD1 C 13 8.807 . . . . . . . . 24 ILE CD1 . 52412 1 186 . 1 . 1 24 24 ILE N N 15 119.510 . . . . . . . . 24 ILE N . 52412 1 187 . 1 . 1 25 25 LEU H H 1 8.749 . . . . . . . . 25 LEU H . 52412 1 188 . 1 . 1 25 25 LEU HG H 1 1.233 . . . . . . . . 25 LEU HG . 52412 1 189 . 1 . 1 25 25 LEU HD11 H 1 0.195 . . . . . . . . 25 LEU QD1 . 52412 1 190 . 1 . 1 25 25 LEU HD12 H 1 0.195 . . . . . . . . 25 LEU QD1 . 52412 1 191 . 1 . 1 25 25 LEU HD13 H 1 0.195 . . . . . . . . 25 LEU QD1 . 52412 1 192 . 1 . 1 25 25 LEU HD21 H 1 0.393 . . . . . . . . 25 LEU QD2 . 52412 1 193 . 1 . 1 25 25 LEU HD22 H 1 0.393 . . . . . . . . 25 LEU QD2 . 52412 1 194 . 1 . 1 25 25 LEU HD23 H 1 0.393 . . . . . . . . 25 LEU QD2 . 52412 1 195 . 1 . 1 25 25 LEU C C 13 175.057 . . . . . . . . 25 LEU C . 52412 1 196 . 1 . 1 25 25 LEU CA C 13 50.788 . . . . . . . . 25 LEU CA . 52412 1 197 . 1 . 1 25 25 LEU CB C 13 40.668 . . . . . . . . 25 LEU CB . 52412 1 198 . 1 . 1 25 25 LEU CG C 13 25.470 . . . . . . . . 25 LEU CG . 52412 1 199 . 1 . 1 25 25 LEU CD1 C 13 22.322 . . . . . . . . 25 LEU CD1 . 52412 1 200 . 1 . 1 25 25 LEU CD2 C 13 23.039 . . . . . . . . 25 LEU CD2 . 52412 1 201 . 1 . 1 25 25 LEU N N 15 127.635 . . . . . . . . 25 LEU N . 52412 1 202 . 1 . 1 26 26 LYS H H 1 8.387 . . . . . . . . 26 LYS H . 52412 1 203 . 1 . 1 26 26 LYS HD2 H 1 1.234 . . . . . . . . 26 LYS HD2 . 52412 1 204 . 1 . 1 26 26 LYS CD C 13 25.519 . . . . . . . . 26 LYS CD . 52412 1 205 . 1 . 1 26 26 LYS N N 15 121.456 . . . . . . . . 26 LYS N . 52412 1 206 . 1 . 1 27 27 VAL HB H 1 1.744 . . . . . . . . 27 VAL HB . 52412 1 207 . 1 . 1 27 27 VAL HG11 H 1 0.476 . . . . . . . . 27 VAL QG1 . 52412 1 208 . 1 . 1 27 27 VAL HG12 H 1 0.476 . . . . . . . . 27 VAL QG1 . 52412 1 209 . 1 . 1 27 27 VAL HG13 H 1 0.476 . . . . . . . . 27 VAL QG1 . 52412 1 210 . 1 . 1 27 27 VAL HG21 H 1 0.552 . . . . . . . . 27 VAL QG2 . 52412 1 211 . 1 . 1 27 27 VAL HG22 H 1 0.552 . . . . . . . . 27 VAL QG2 . 52412 1 212 . 1 . 1 27 27 VAL HG23 H 1 0.552 . . . . . . . . 27 VAL QG2 . 52412 1 213 . 1 . 1 27 27 VAL C C 13 175.786 . . . . . . . . 27 VAL C . 52412 1 214 . 1 . 1 27 27 VAL CA C 13 61.127 . . . . . . . . 27 VAL CA . 52412 1 215 . 1 . 1 27 27 VAL CB C 13 29.021 . . . . . . . . 27 VAL CB . 52412 1 216 . 1 . 1 27 27 VAL CG1 C 13 18.134 . . . . . . . . 27 VAL CG1 . 52412 1 217 . 1 . 1 27 27 VAL CG2 C 13 19.339 . . . . . . . . 27 VAL CG2 . 52412 1 218 . 1 . 1 28 28 LEU H H 1 8.883 . . . . . . . . 28 LEU H . 52412 1 219 . 1 . 1 28 28 LEU HG H 1 1.581 . . . . . . . . 28 LEU HG . 52412 1 220 . 1 . 1 28 28 LEU HD11 H 1 0.730 . . . . . . . . 28 LEU QD1 . 52412 1 221 . 1 . 1 28 28 LEU HD12 H 1 0.730 . . . . . . . . 28 LEU QD1 . 52412 1 222 . 1 . 1 28 28 LEU HD13 H 1 0.730 . . . . . . . . 28 LEU QD1 . 52412 1 223 . 1 . 1 28 28 LEU HD21 H 1 0.823 . . . . . . . . 28 LEU QD2 . 52412 1 224 . 1 . 1 28 28 LEU HD22 H 1 0.823 . . . . . . . . 28 LEU QD2 . 52412 1 225 . 1 . 1 28 28 LEU HD23 H 1 0.823 . . . . . . . . 28 LEU QD2 . 52412 1 226 . 1 . 1 28 28 LEU C C 13 176.830 . . . . . . . . 28 LEU C . 52412 1 227 . 1 . 1 28 28 LEU CA C 13 52.918 . . . . . . . . 28 LEU CA . 52412 1 228 . 1 . 1 28 28 LEU CB C 13 39.452 . . . . . . . . 28 LEU CB . 52412 1 229 . 1 . 1 28 28 LEU CG C 13 24.341 . . . . . . . . 28 LEU CG . 52412 1 230 . 1 . 1 28 28 LEU CD1 C 13 22.151 . . . . . . . . 28 LEU CD1 . 52412 1 231 . 1 . 1 28 28 LEU CD2 C 13 19.629 . . . . . . . . 28 LEU CD2 . 52412 1 232 . 1 . 1 28 28 LEU N N 15 127.140 . . . . . . . . 28 LEU N . 52412 1 233 . 1 . 1 31 31 GLU C C 13 176.666 . . . . . . . . 31 GLU C . 52412 1 234 . 1 . 1 31 31 GLU CA C 13 53.830 . . . . . . . . 31 GLU CA . 52412 1 235 . 1 . 1 31 31 GLU CB C 13 27.554 . . . . . . . . 31 GLU CB . 52412 1 236 . 1 . 1 31 31 GLU CG C 13 33.374 . . . . . . . . 31 GLU CG . 52412 1 237 . 1 . 1 32 32 SER H H 1 8.452 . . . . . . . . 32 SER H . 52412 1 238 . 1 . 1 32 32 SER C C 13 174.197 . . . . . . . . 32 SER C . 52412 1 239 . 1 . 1 32 32 SER CA C 13 57.495 . . . . . . . . 32 SER CA . 52412 1 240 . 1 . 1 32 32 SER N N 15 117.396 . . . . . . . . 32 SER N . 52412 1 241 . 1 . 1 33 33 ASP H H 1 8.076 . . . . . . . . 33 ASP H . 52412 1 242 . 1 . 1 33 33 ASP N N 15 120.354 . . . . . . . . 33 ASP N . 52412 1 243 . 1 . 1 34 34 GLN H H 1 7.931 . . . . . . . . 34 GLN H . 52412 1 244 . 1 . 1 34 34 GLN HE22 H 1 7.559 . . . . . . . . 34 GLN HE22 . 52412 1 245 . 1 . 1 34 34 GLN CG C 13 31.023 . . . . . . . . 34 GLN CG . 52412 1 246 . 1 . 1 34 34 GLN N N 15 120.351 . . . . . . . . 34 GLN N . 52412 1 247 . 1 . 1 34 34 GLN NE2 N 15 112.707 . . . . . . . . 34 GLN NE2 . 52412 1 248 . 1 . 1 35 35 ASN C C 13 173.526 . . . . . . . . 35 ASN C . 52412 1 249 . 1 . 1 35 35 ASN CA C 13 51.363 . . . . . . . . 35 ASN CA . 52412 1 250 . 1 . 1 35 35 ASN CB C 13 37.573 . . . . . . . . 35 ASN CB . 52412 1 251 . 1 . 1 36 36 TRP H H 1 7.734 . . . . . . . . 36 TRP H . 52412 1 252 . 1 . 1 36 36 TRP C C 13 175.218 . . . . . . . . 36 TRP C . 52412 1 253 . 1 . 1 36 36 TRP CA C 13 53.882 . . . . . . . . 36 TRP CA . 52412 1 254 . 1 . 1 36 36 TRP CB C 13 29.064 . . . . . . . . 36 TRP CB . 52412 1 255 . 1 . 1 36 36 TRP N N 15 119.674 . . . . . . . . 36 TRP N . 52412 1 256 . 1 . 1 37 37 TYR H H 1 9.117 . . . . . . . . 37 TYR H . 52412 1 257 . 1 . 1 37 37 TYR HH H 1 8.583 . . . . . . . . 37 TYR HH . 52412 1 258 . 1 . 1 37 37 TYR N N 15 119.679 . . . . . . . . 37 TYR N . 52412 1 259 . 1 . 1 38 38 LYS H H 1 8.895 . . . . . . . . 38 LYS H . 52412 1 260 . 1 . 1 38 38 LYS C C 13 174.918 . . . . . . . . 38 LYS C . 52412 1 261 . 1 . 1 38 38 LYS CA C 13 53.562 . . . . . . . . 38 LYS CA . 52412 1 262 . 1 . 1 38 38 LYS CB C 13 29.708 . . . . . . . . 38 LYS CB . 52412 1 263 . 1 . 1 38 38 LYS CG C 13 21.801 . . . . . . . . 38 LYS CG . 52412 1 264 . 1 . 1 38 38 LYS N N 15 122.586 . . . . . . . . 38 LYS N . 52412 1 265 . 1 . 1 39 39 ALA H H 1 9.228 . . . . . . . . 39 ALA H . 52412 1 266 . 1 . 1 39 39 ALA HB1 H 1 1.120 . . . . . . . . 39 ALA HB# . 52412 1 267 . 1 . 1 39 39 ALA HB2 H 1 1.120 . . . . . . . . 39 ALA HB# . 52412 1 268 . 1 . 1 39 39 ALA HB3 H 1 1.120 . . . . . . . . 39 ALA HB# . 52412 1 269 . 1 . 1 39 39 ALA C C 13 173.286 . . . . . . . . 39 ALA C . 52412 1 270 . 1 . 1 39 39 ALA CA C 13 48.047 . . . . . . . . 39 ALA CA . 52412 1 271 . 1 . 1 39 39 ALA CB C 13 22.524 . . . . . . . . 39 ALA CB . 52412 1 272 . 1 . 1 39 39 ALA N N 15 129.789 . . . . . . . . 39 ALA N . 52412 1 273 . 1 . 1 40 40 GLU H H 1 8.874 . . . . . . . . 40 GLU H . 52412 1 274 . 1 . 1 40 40 GLU HG2 H 1 2.512 . . . . . . . . 40 GLU HG2 . 52412 1 275 . 1 . 1 40 40 GLU HG3 H 1 2.513 . . . . . . . . 40 GLU HG3 . 52412 1 276 . 1 . 1 40 40 GLU C C 13 174.929 . . . . . . . . 40 GLU C . 52412 1 277 . 1 . 1 40 40 GLU CA C 13 51.856 . . . . . . . . 40 GLU CA . 52412 1 278 . 1 . 1 40 40 GLU CB C 13 30.208 . . . . . . . . 40 GLU CB . 52412 1 279 . 1 . 1 40 40 GLU CG C 13 38.762 . . . . . . . . 40 GLU CG . 52412 1 280 . 1 . 1 40 40 GLU N N 15 117.959 . . . . . . . . 40 GLU N . 52412 1 281 . 1 . 1 41 41 LEU H H 1 8.695 . . . . . . . . 41 LEU H . 52412 1 282 . 1 . 1 41 41 LEU HG H 1 1.445 . . . . . . . . 41 LEU HG . 52412 1 283 . 1 . 1 41 41 LEU HD11 H 1 0.953 . . . . . . . . 41 LEU QD1 . 52412 1 284 . 1 . 1 41 41 LEU HD12 H 1 0.953 . . . . . . . . 41 LEU QD1 . 52412 1 285 . 1 . 1 41 41 LEU HD13 H 1 0.953 . . . . . . . . 41 LEU QD1 . 52412 1 286 . 1 . 1 41 41 LEU HD21 H 1 1.021 . . . . . . . . 41 LEU QD2 . 52412 1 287 . 1 . 1 41 41 LEU HD22 H 1 1.021 . . . . . . . . 41 LEU QD2 . 52412 1 288 . 1 . 1 41 41 LEU HD23 H 1 1.021 . . . . . . . . 41 LEU QD2 . 52412 1 289 . 1 . 1 41 41 LEU C C 13 176.484 . . . . . . . . 41 LEU C . 52412 1 290 . 1 . 1 41 41 LEU CA C 13 52.685 . . . . . . . . 41 LEU CA . 52412 1 291 . 1 . 1 41 41 LEU CB C 13 42.386 . . . . . . . . 41 LEU CB . 52412 1 292 . 1 . 1 41 41 LEU CG C 13 24.568 . . . . . . . . 41 LEU CG . 52412 1 293 . 1 . 1 41 41 LEU CD1 C 13 20.087 . . . . . . . . 41 LEU CD1 . 52412 1 294 . 1 . 1 41 41 LEU CD2 C 13 23.717 . . . . . . . . 41 LEU CD2 . 52412 1 295 . 1 . 1 41 41 LEU N N 15 124.160 . . . . . . . . 41 LEU N . 52412 1 296 . 1 . 1 42 42 ASN H H 1 9.612 . . . . . . . . 42 ASN H . 52412 1 297 . 1 . 1 42 42 ASN HB2 H 1 2.776 . . . . . . . . 42 ASN HB2 . 52412 1 298 . 1 . 1 42 42 ASN HB3 H 1 3.052 . . . . . . . . 42 ASN HB3 . 52412 1 299 . 1 . 1 42 42 ASN HD21 H 1 7.054 . . . . . . . . 42 ASN HD21 . 52412 1 300 . 1 . 1 42 42 ASN HD22 H 1 7.677 . . . . . . . . 42 ASN HD22 . 52412 1 301 . 1 . 1 42 42 ASN C C 13 174.950 . . . . . . . . 42 ASN C . 52412 1 302 . 1 . 1 42 42 ASN CA C 13 51.909 . . . . . . . . 42 ASN CA . 52412 1 303 . 1 . 1 42 42 ASN CB C 13 34.907 . . . . . . . . 42 ASN CB . 52412 1 304 . 1 . 1 42 42 ASN N N 15 127.174 . . . . . . . . 42 ASN N . 52412 1 305 . 1 . 1 42 42 ASN ND2 N 15 113.519 . . . . . . . . 42 ASN ND2 . 52412 1 306 . 1 . 1 43 43 GLY H H 1 9.548 . . . . . . . . 43 GLY H . 52412 1 307 . 1 . 1 43 43 GLY C C 13 173.461 . . . . . . . . 43 GLY C . 52412 1 308 . 1 . 1 43 43 GLY CA C 13 42.784 . . . . . . . . 43 GLY CA . 52412 1 309 . 1 . 1 43 43 GLY N N 15 105.267 . . . . . . . . 43 GLY N . 52412 1 310 . 1 . 1 44 44 LYS H H 1 7.749 . . . . . . . . 44 LYS H . 52412 1 311 . 1 . 1 44 44 LYS HA H 1 3.867 . . . . . . . . 44 LYS HA . 52412 1 312 . 1 . 1 44 44 LYS HG2 H 1 1.359 . . . . . . . . 44 LYS HG2 . 52412 1 313 . 1 . 1 44 44 LYS HG3 H 1 1.454 . . . . . . . . 44 LYS HG3 . 52412 1 314 . 1 . 1 44 44 LYS HD3 H 1 1.690 . . . . . . . . 44 LYS HD3 . 52412 1 315 . 1 . 1 44 44 LYS HE3 H 1 3.024 . . . . . . . . 44 LYS HE3 . 52412 1 316 . 1 . 1 44 44 LYS C C 13 173.756 . . . . . . . . 44 LYS C . 52412 1 317 . 1 . 1 44 44 LYS CA C 13 52.081 . . . . . . . . 44 LYS CA . 52412 1 318 . 1 . 1 44 44 LYS CB C 13 31.222 . . . . . . . . 44 LYS CB . 52412 1 319 . 1 . 1 44 44 LYS CG C 13 21.913 . . . . . . . . 44 LYS CG . 52412 1 320 . 1 . 1 44 44 LYS CD C 13 25.841 . . . . . . . . 44 LYS CD . 52412 1 321 . 1 . 1 44 44 LYS CE C 13 39.603 . . . . . . . . 44 LYS CE . 52412 1 322 . 1 . 1 44 44 LYS N N 15 122.665 . . . . . . . . 44 LYS N . 52412 1 323 . 1 . 1 45 45 ASP H H 1 8.203 . . . . . . . . 45 ASP H . 52412 1 324 . 1 . 1 45 45 ASP HA H 1 4.362 . . . . . . . . 45 ASP HA . 52412 1 325 . 1 . 1 45 45 ASP HB2 H 1 3.222 . . . . . . . . 45 ASP QB . 52412 1 326 . 1 . 1 45 45 ASP HB3 H 1 3.222 . . . . . . . . 45 ASP QB . 52412 1 327 . 1 . 1 45 45 ASP C C 13 176.426 . . . . . . . . 45 ASP C . 52412 1 328 . 1 . 1 45 45 ASP CA C 13 49.431 . . . . . . . . 45 ASP CA . 52412 1 329 . 1 . 1 45 45 ASP CB C 13 40.949 . . . . . . . . 45 ASP CB . 52412 1 330 . 1 . 1 45 45 ASP N N 15 120.191 . . . . . . . . 45 ASP N . 52412 1 331 . 1 . 1 46 46 GLY H H 1 8.759 . . . . . . . . 46 GLY H . 52412 1 332 . 1 . 1 46 46 GLY HA2 H 1 3.797 . . . . . . . . 46 GLY HA2 . 52412 1 333 . 1 . 1 46 46 GLY HA3 H 1 3.908 . . . . . . . . 46 GLY HA3 . 52412 1 334 . 1 . 1 46 46 GLY C C 13 171.108 . . . . . . . . 46 GLY C . 52412 1 335 . 1 . 1 46 46 GLY CA C 13 42.658 . . . . . . . . 46 GLY CA . 52412 1 336 . 1 . 1 46 46 GLY N N 15 105.267 . . . . . . . . 46 GLY N . 52412 1 337 . 1 . 1 47 47 PHE H H 1 9.351 . . . . . . . . 47 PHE H . 52412 1 338 . 1 . 1 47 47 PHE HB2 H 1 2.469 . . . . . . . . 47 PHE HB2 . 52412 1 339 . 1 . 1 47 47 PHE C C 13 176.809 . . . . . . . . 47 PHE C . 52412 1 340 . 1 . 1 47 47 PHE CA C 13 56.342 . . . . . . . . 47 PHE CA . 52412 1 341 . 1 . 1 47 47 PHE CB C 13 38.201 . . . . . . . . 47 PHE CB . 52412 1 342 . 1 . 1 47 47 PHE N N 15 119.047 . . . . . . . . 47 PHE N . 52412 1 343 . 1 . 1 48 48 ILE H H 1 9.542 . . . . . . . . 48 ILE H . 52412 1 344 . 1 . 1 48 48 ILE HB H 1 1.473 . . . . . . . . 48 ILE HB . 52412 1 345 . 1 . 1 48 48 ILE HG12 H 1 0.993 . . . . . . . . 48 ILE HG12 . 52412 1 346 . 1 . 1 48 48 ILE HG13 H 1 1.470 . . . . . . . . 48 ILE HG13 . 52412 1 347 . 1 . 1 48 48 ILE HD11 H 1 0.421 . . . . . . . . 48 ILE QD1 . 52412 1 348 . 1 . 1 48 48 ILE HD12 H 1 0.421 . . . . . . . . 48 ILE QD1 . 52412 1 349 . 1 . 1 48 48 ILE HD13 H 1 0.421 . . . . . . . . 48 ILE QD1 . 52412 1 350 . 1 . 1 48 48 ILE C C 13 172.436 . . . . . . . . 48 ILE C . 52412 1 351 . 1 . 1 48 48 ILE CA C 13 54.772 . . . . . . . . 48 ILE CA . 52412 1 352 . 1 . 1 48 48 ILE CD1 C 13 12.534 . . . . . . . . 48 ILE CD1 . 52412 1 353 . 1 . 1 48 48 ILE N N 15 113.040 . . . . . . . . 48 ILE N . 52412 1 354 . 1 . 1 49 49 PRO HB2 H 1 1.372 . . . . . . . . 49 PRO HB2 . 52412 1 355 . 1 . 1 49 49 PRO HB3 H 1 1.429 . . . . . . . . 49 PRO HB3 . 52412 1 356 . 1 . 1 49 49 PRO CA C 13 58.550 . . . . . . . . 49 PRO CA . 52412 1 357 . 1 . 1 49 49 PRO CB C 13 26.959 . . . . . . . . 49 PRO CB . 52412 1 358 . 1 . 1 49 49 PRO CG C 13 23.699 . . . . . . . . 49 PRO CG . 52412 1 359 . 1 . 1 50 50 LYS H H 1 7.971 . . . . . . . . 50 LYS H . 52412 1 360 . 1 . 1 50 50 LYS C C 13 176.493 . . . . . . . . 50 LYS C . 52412 1 361 . 1 . 1 50 50 LYS CA C 13 56.311 . . . . . . . . 50 LYS CA . 52412 1 362 . 1 . 1 50 50 LYS CB C 13 29.093 . . . . . . . . 50 LYS CB . 52412 1 363 . 1 . 1 50 50 LYS CG C 13 22.436 . . . . . . . . 50 LYS CG . 52412 1 364 . 1 . 1 50 50 LYS CD C 13 30.086 . . . . . . . . 50 LYS CD . 52412 1 365 . 1 . 1 50 50 LYS CE C 13 39.261 . . . . . . . . 50 LYS CE . 52412 1 366 . 1 . 1 50 50 LYS N N 15 122.410 . . . . . . . . 50 LYS N . 52412 1 367 . 1 . 1 51 51 ASN H H 1 8.384 . . . . . . . . 51 ASN H . 52412 1 368 . 1 . 1 51 51 ASN HD22 H 1 7.555 . . . . . . . . 51 ASN HD22 . 52412 1 369 . 1 . 1 51 51 ASN C C 13 175.186 . . . . . . . . 51 ASN C . 52412 1 370 . 1 . 1 51 51 ASN CA C 13 50.988 . . . . . . . . 51 ASN CA . 52412 1 371 . 1 . 1 51 51 ASN CB C 13 32.618 . . . . . . . . 51 ASN CB . 52412 1 372 . 1 . 1 51 51 ASN N N 15 112.309 . . . . . . . . 51 ASN N . 52412 1 373 . 1 . 1 52 52 TYR H H 1 7.672 . . . . . . . . 52 TYR H . 52412 1 374 . 1 . 1 52 52 TYR C C 13 175.022 . . . . . . . . 52 TYR C . 52412 1 375 . 1 . 1 52 52 TYR CA C 13 56.083 . . . . . . . . 52 TYR CA . 52412 1 376 . 1 . 1 52 52 TYR CB C 13 36.664 . . . . . . . . 52 TYR CB . 52412 1 377 . 1 . 1 52 52 TYR N N 15 119.605 . . . . . . . . 52 TYR N . 52412 1 378 . 1 . 1 53 53 ILE H H 1 7.255 . . . . . . . . 53 ILE H . 52412 1 379 . 1 . 1 53 53 ILE HG12 H 1 1.051 . . . . . . . . 53 ILE HG12 . 52412 1 380 . 1 . 1 53 53 ILE HG13 H 1 1.275 . . . . . . . . 53 ILE HG13 . 52412 1 381 . 1 . 1 53 53 ILE HG21 H 1 0.377 . . . . . . . . 53 ILE QG2 . 52412 1 382 . 1 . 1 53 53 ILE HG22 H 1 0.377 . . . . . . . . 53 ILE QG2 . 52412 1 383 . 1 . 1 53 53 ILE HG23 H 1 0.377 . . . . . . . . 53 ILE QG2 . 52412 1 384 . 1 . 1 53 53 ILE HD11 H 1 0.524 . . . . . . . . 53 ILE QD1 . 52412 1 385 . 1 . 1 53 53 ILE HD12 H 1 0.524 . . . . . . . . 53 ILE QD1 . 52412 1 386 . 1 . 1 53 53 ILE HD13 H 1 0.524 . . . . . . . . 53 ILE QD1 . 52412 1 387 . 1 . 1 53 53 ILE C C 13 173.733 . . . . . . . . 53 ILE C . 52412 1 388 . 1 . 1 53 53 ILE CA C 13 55.871 . . . . . . . . 53 ILE CA . 52412 1 389 . 1 . 1 53 53 ILE CB C 13 38.960 . . . . . . . . 53 ILE CB . 52412 1 390 . 1 . 1 53 53 ILE CD1 C 13 10.865 . . . . . . . . 53 ILE CD1 . 52412 1 391 . 1 . 1 53 53 ILE N N 15 111.482 . . . . . . . . 53 ILE N . 52412 1 392 . 1 . 1 54 54 GLU H H 1 8.667 . . . . . . . . 54 GLU H . 52412 1 393 . 1 . 1 54 54 GLU C C 13 175.954 . . . . . . . . 54 GLU C . 52412 1 394 . 1 . 1 54 54 GLU CA C 13 51.748 . . . . . . . . 54 GLU CA . 52412 1 395 . 1 . 1 54 54 GLU CB C 13 29.332 . . . . . . . . 54 GLU CB . 52412 1 396 . 1 . 1 54 54 GLU N N 15 120.835 . . . . . . . . 54 GLU N . 52412 1 397 . 1 . 1 55 55 MET H H 1 9.023 . . . . . . . . 55 MET H . 52412 1 398 . 1 . 1 55 55 MET C C 13 177.465 . . . . . . . . 55 MET C . 52412 1 399 . 1 . 1 55 55 MET CA C 13 52.530 . . . . . . . . 55 MET CA . 52412 1 400 . 1 . 1 55 55 MET CB C 13 28.628 . . . . . . . . 55 MET CB . 52412 1 401 . 1 . 1 55 55 MET N N 15 125.860 . . . . . . . . 55 MET N . 52412 1 402 . 1 . 1 56 56 LYS H H 1 8.269 . . . . . . . . 56 LYS H . 52412 1 403 . 1 . 1 56 56 LYS C C 13 174.746 . . . . . . . . 56 LYS C . 52412 1 404 . 1 . 1 56 56 LYS CE C 13 39.288 . . . . . . . . 56 LYS CE . 52412 1 405 . 1 . 1 56 56 LYS N N 15 123.788 . . . . . . . . 56 LYS N . 52412 1 406 . 1 . 1 57 57 PRO HA H 1 4.320 . . . . . . . . 57 PRO HA . 52412 1 407 . 1 . 1 57 57 PRO C C 13 176.709 . . . . . . . . 57 PRO C . 52412 1 408 . 1 . 1 57 57 PRO CA C 13 60.528 . . . . . . . . 57 PRO CA . 52412 1 409 . 1 . 1 58 58 HIS H H 1 8.405 . . . . . . . . 58 HIS H . 52412 1 410 . 1 . 1 58 58 HIS C C 13 175.840 . . . . . . . . 58 HIS C . 52412 1 411 . 1 . 1 58 58 HIS N N 15 120.674 . . . . . . . . 58 HIS N . 52412 1 412 . 1 . 1 59 59 PRO HA H 1 3.866 . . . . . . . . 59 PRO HA . 52412 1 413 . 1 . 1 59 59 PRO HB3 H 1 1.913 . . . . . . . . 59 PRO HB3 . 52412 1 414 . 1 . 1 59 59 PRO C C 13 176.725 . . . . . . . . 59 PRO C . 52412 1 415 . 1 . 1 59 59 PRO CA C 13 60.070 . . . . . . . . 59 PRO CA . 52412 1 416 . 1 . 1 59 59 PRO CB C 13 30.473 . . . . . . . . 59 PRO CB . 52412 1 417 . 1 . 1 60 60 TRP H H 1 8.836 . . . . . . . . 60 TRP H . 52412 1 418 . 1 . 1 60 60 TRP HE1 H 1 10.828 . . . . . . . . 60 TRP HE1 . 52412 1 419 . 1 . 1 60 60 TRP C C 13 175.260 . . . . . . . . 60 TRP C . 52412 1 420 . 1 . 1 60 60 TRP CA C 13 53.100 . . . . . . . . 60 TRP CA . 52412 1 421 . 1 . 1 60 60 TRP CB C 13 28.464 . . . . . . . . 60 TRP CB . 52412 1 422 . 1 . 1 60 60 TRP N N 15 119.947 . . . . . . . . 60 TRP N . 52412 1 423 . 1 . 1 60 60 TRP NE1 N 15 132.162 . . . . . . . . 60 TRP NE1 . 52412 1 424 . 1 . 1 61 61 PHE CB C 13 38.610 . . . . . . . . 61 PHE CB . 52412 1 425 . 1 . 1 63 63 GLY C C 13 174.468 . . . . . . . . 63 GLY C . 52412 1 426 . 1 . 1 63 63 GLY CA C 13 44.791 . . . . . . . . 63 GLY CA . 52412 1 427 . 1 . 1 64 64 LYS H H 1 8.709 . . . . . . . . 64 LYS H . 52412 1 428 . 1 . 1 64 64 LYS HA H 1 4.406 . . . . . . . . 64 LYS HA . 52412 1 429 . 1 . 1 64 64 LYS HB2 H 1 1.852 . . . . . . . . 64 LYS HB2 . 52412 1 430 . 1 . 1 64 64 LYS HB3 H 1 1.838 . . . . . . . . 64 LYS HB3 . 52412 1 431 . 1 . 1 64 64 LYS HD2 H 1 1.576 . . . . . . . . 64 LYS HD2 . 52412 1 432 . 1 . 1 64 64 LYS HE3 H 1 2.945 . . . . . . . . 64 LYS HE3 . 52412 1 433 . 1 . 1 64 64 LYS C C 13 175.700 . . . . . . . . 64 LYS C . 52412 1 434 . 1 . 1 64 64 LYS CA C 13 53.401 . . . . . . . . 64 LYS CA . 52412 1 435 . 1 . 1 64 64 LYS CB C 13 27.954 . . . . . . . . 64 LYS CB . 52412 1 436 . 1 . 1 64 64 LYS CG C 13 22.350 . . . . . . . . 64 LYS CG . 52412 1 437 . 1 . 1 64 64 LYS CE C 13 39.284 . . . . . . . . 64 LYS CE . 52412 1 438 . 1 . 1 64 64 LYS N N 15 127.241 . . . . . . . . 64 LYS N . 52412 1 439 . 1 . 1 65 65 ILE H H 1 7.275 . . . . . . . . 65 ILE H . 52412 1 440 . 1 . 1 65 65 ILE HB H 1 1.723 . . . . . . . . 65 ILE HB . 52412 1 441 . 1 . 1 65 65 ILE HG12 H 1 0.988 . . . . . . . . 65 ILE HG12 . 52412 1 442 . 1 . 1 65 65 ILE HG13 H 1 1.481 . . . . . . . . 65 ILE HG13 . 52412 1 443 . 1 . 1 65 65 ILE HD11 H 1 0.606 . . . . . . . . 65 ILE QD1 . 52412 1 444 . 1 . 1 65 65 ILE HD12 H 1 0.606 . . . . . . . . 65 ILE QD1 . 52412 1 445 . 1 . 1 65 65 ILE HD13 H 1 0.606 . . . . . . . . 65 ILE QD1 . 52412 1 446 . 1 . 1 65 65 ILE C C 13 172.998 . . . . . . . . 65 ILE C . 52412 1 447 . 1 . 1 65 65 ILE CA C 13 54.941 . . . . . . . . 65 ILE CA . 52412 1 448 . 1 . 1 65 65 ILE CB C 13 36.534 . . . . . . . . 65 ILE CB . 52412 1 449 . 1 . 1 65 65 ILE CG1 C 13 23.605 . . . . . . . . 65 ILE CG1 . 52412 1 450 . 1 . 1 65 65 ILE CD1 C 13 10.987 . . . . . . . . 65 ILE CD1 . 52412 1 451 . 1 . 1 65 65 ILE N N 15 121.505 . . . . . . . . 65 ILE N . 52412 1 452 . 1 . 1 66 66 PRO CA C 13 59.820 . . . . . . . . 66 PRO CA . 52412 1 453 . 1 . 1 66 66 PRO CB C 13 29.620 . . . . . . . . 66 PRO CB . 52412 1 454 . 1 . 1 67 67 ARG H H 1 9.023 . . . . . . . . 67 ARG H . 52412 1 455 . 1 . 1 67 67 ARG C C 13 178.420 . . . . . . . . 67 ARG C . 52412 1 456 . 1 . 1 67 67 ARG CA C 13 58.057 . . . . . . . . 67 ARG CA . 52412 1 457 . 1 . 1 67 67 ARG CB C 13 27.335 . . . . . . . . 67 ARG CB . 52412 1 458 . 1 . 1 67 67 ARG CG C 13 24.067 . . . . . . . . 67 ARG CG . 52412 1 459 . 1 . 1 67 67 ARG N N 15 125.869 . . . . . . . . 67 ARG N . 52412 1 460 . 1 . 1 68 68 ALA H H 1 9.206 . . . . . . . . 68 ALA H . 52412 1 461 . 1 . 1 68 68 ALA HA H 1 4.056 . . . . . . . . 68 ALA HA . 52412 1 462 . 1 . 1 68 68 ALA HB1 H 1 1.324 . . . . . . . . 68 ALA HB# . 52412 1 463 . 1 . 1 68 68 ALA HB2 H 1 1.324 . . . . . . . . 68 ALA HB# . 52412 1 464 . 1 . 1 68 68 ALA HB3 H 1 1.324 . . . . . . . . 68 ALA HB# . 52412 1 465 . 1 . 1 68 68 ALA C C 13 180.859 . . . . . . . . 68 ALA C . 52412 1 466 . 1 . 1 68 68 ALA CA C 13 52.326 . . . . . . . . 68 ALA CA . 52412 1 467 . 1 . 1 68 68 ALA CB C 13 15.219 . . . . . . . . 68 ALA CB . 52412 1 468 . 1 . 1 68 68 ALA N N 15 118.092 . . . . . . . . 68 ALA N . 52412 1 469 . 1 . 1 69 69 LYS H H 1 6.851 . . . . . . . . 69 LYS H . 52412 1 470 . 1 . 1 69 69 LYS HA H 1 4.237 . . . . . . . . 69 LYS HA . 52412 1 471 . 1 . 1 69 69 LYS HG2 H 1 0.860 . . . . . . . . 69 LYS HG2 . 52412 1 472 . 1 . 1 69 69 LYS HG3 H 1 1.422 . . . . . . . . 69 LYS HG3 . 52412 1 473 . 1 . 1 69 69 LYS C C 13 178.718 . . . . . . . . 69 LYS C . 52412 1 474 . 1 . 1 69 69 LYS CA C 13 54.411 . . . . . . . . 69 LYS CA . 52412 1 475 . 1 . 1 69 69 LYS CB C 13 28.217 . . . . . . . . 69 LYS CB . 52412 1 476 . 1 . 1 69 69 LYS CG C 13 21.460 . . . . . . . . 69 LYS CG . 52412 1 477 . 1 . 1 69 69 LYS CE C 13 40.147 . . . . . . . . 69 LYS CE . 52412 1 478 . 1 . 1 69 69 LYS N N 15 117.466 . . . . . . . . 69 LYS N . 52412 1 479 . 1 . 1 70 70 ALA H H 1 8.063 . . . . . . . . 70 ALA H . 52412 1 480 . 1 . 1 70 70 ALA HA H 1 4.167 . . . . . . . . 70 ALA HA . 52412 1 481 . 1 . 1 70 70 ALA HB1 H 1 1.382 . . . . . . . . 70 ALA HB# . 52412 1 482 . 1 . 1 70 70 ALA HB2 H 1 1.382 . . . . . . . . 70 ALA HB# . 52412 1 483 . 1 . 1 70 70 ALA HB3 H 1 1.382 . . . . . . . . 70 ALA HB# . 52412 1 484 . 1 . 1 70 70 ALA C C 13 179.113 . . . . . . . . 70 ALA C . 52412 1 485 . 1 . 1 70 70 ALA CA C 13 52.276 . . . . . . . . 70 ALA CA . 52412 1 486 . 1 . 1 70 70 ALA CB C 13 15.071 . . . . . . . . 70 ALA CB . 52412 1 487 . 1 . 1 70 70 ALA N N 15 122.715 . . . . . . . . 70 ALA N . 52412 1 488 . 1 . 1 71 71 GLU H H 1 8.181 . . . . . . . . 71 GLU H . 52412 1 489 . 1 . 1 71 71 GLU HA H 1 3.814 . . . . . . . . 71 GLU HA . 52412 1 490 . 1 . 1 71 71 GLU C C 13 178.355 . . . . . . . . 71 GLU C . 52412 1 491 . 1 . 1 71 71 GLU CA C 13 57.343 . . . . . . . . 71 GLU CA . 52412 1 492 . 1 . 1 71 71 GLU CB C 13 25.437 . . . . . . . . 71 GLU CB . 52412 1 493 . 1 . 1 71 71 GLU N N 15 115.308 . . . . . . . . 71 GLU N . 52412 1 494 . 1 . 1 72 72 GLU H H 1 7.792 . . . . . . . . 72 GLU H . 52412 1 495 . 1 . 1 72 72 GLU HA H 1 3.886 . . . . . . . . 72 GLU HA . 52412 1 496 . 1 . 1 72 72 GLU HB2 H 1 2.101 . . . . . . . . 72 GLU HB2 . 52412 1 497 . 1 . 1 72 72 GLU HB3 H 1 2.107 . . . . . . . . 72 GLU HB3 . 52412 1 498 . 1 . 1 72 72 GLU HG2 H 1 2.014 . . . . . . . . 72 GLU HG2 . 52412 1 499 . 1 . 1 72 72 GLU HG3 H 1 2.312 . . . . . . . . 72 GLU HG3 . 52412 1 500 . 1 . 1 72 72 GLU C C 13 179.050 . . . . . . . . 72 GLU C . 52412 1 501 . 1 . 1 72 72 GLU CA C 13 56.876 . . . . . . . . 72 GLU CA . 52412 1 502 . 1 . 1 72 72 GLU CB C 13 26.749 . . . . . . . . 72 GLU CB . 52412 1 503 . 1 . 1 72 72 GLU CG C 13 32.959 . . . . . . . . 72 GLU CG . 52412 1 504 . 1 . 1 72 72 GLU N N 15 120.820 . . . . . . . . 72 GLU N . 52412 1 505 . 1 . 1 73 73 MET H H 1 8.016 . . . . . . . . 73 MET H . 52412 1 506 . 1 . 1 73 73 MET HA H 1 3.928 . . . . . . . . 73 MET HA . 52412 1 507 . 1 . 1 73 73 MET HB3 H 1 1.972 . . . . . . . . 73 MET HB3 . 52412 1 508 . 1 . 1 73 73 MET HG2 H 1 2.188 . . . . . . . . 73 MET HG2 . 52412 1 509 . 1 . 1 73 73 MET HG3 H 1 2.435 . . . . . . . . 73 MET HG3 . 52412 1 510 . 1 . 1 73 73 MET HE1 H 1 0.619 . . . . . . . . 73 MET HE# . 52412 1 511 . 1 . 1 73 73 MET HE2 H 1 0.619 . . . . . . . . 73 MET HE# . 52412 1 512 . 1 . 1 73 73 MET HE3 H 1 0.619 . . . . . . . . 73 MET HE# . 52412 1 513 . 1 . 1 73 73 MET C C 13 179.691 . . . . . . . . 73 MET C . 52412 1 514 . 1 . 1 73 73 MET CA C 13 56.313 . . . . . . . . 73 MET CA . 52412 1 515 . 1 . 1 73 73 MET CB C 13 30.527 . . . . . . . . 73 MET CB . 52412 1 516 . 1 . 1 73 73 MET CG C 13 28.248 . . . . . . . . 73 MET CG . 52412 1 517 . 1 . 1 73 73 MET N N 15 116.940 . . . . . . . . 73 MET N . 52412 1 518 . 1 . 1 74 74 LEU H H 1 8.191 . . . . . . . . 74 LEU H . 52412 1 519 . 1 . 1 74 74 LEU HD11 H 1 0.502 . . . . . . . . 74 LEU QD1 . 52412 1 520 . 1 . 1 74 74 LEU HD12 H 1 0.502 . . . . . . . . 74 LEU QD1 . 52412 1 521 . 1 . 1 74 74 LEU HD13 H 1 0.502 . . . . . . . . 74 LEU QD1 . 52412 1 522 . 1 . 1 74 74 LEU HD21 H 1 0.582 . . . . . . . . 74 LEU QD2 . 52412 1 523 . 1 . 1 74 74 LEU HD22 H 1 0.582 . . . . . . . . 74 LEU QD2 . 52412 1 524 . 1 . 1 74 74 LEU HD23 H 1 0.582 . . . . . . . . 74 LEU QD2 . 52412 1 525 . 1 . 1 74 74 LEU C C 13 179.029 . . . . . . . . 74 LEU C . 52412 1 526 . 1 . 1 74 74 LEU CA C 13 54.555 . . . . . . . . 74 LEU CA . 52412 1 527 . 1 . 1 74 74 LEU CB C 13 38.868 . . . . . . . . 74 LEU CB . 52412 1 528 . 1 . 1 74 74 LEU CD1 C 13 19.170 . . . . . . . . 74 LEU CD1 . 52412 1 529 . 1 . 1 74 74 LEU CD2 C 13 24.079 . . . . . . . . 74 LEU CD2 . 52412 1 530 . 1 . 1 74 74 LEU N N 15 117.947 . . . . . . . . 74 LEU N . 52412 1 531 . 1 . 1 75 75 SER H H 1 8.224 . . . . . . . . 75 SER H . 52412 1 532 . 1 . 1 75 75 SER HA H 1 3.984 . . . . . . . . 75 SER HA . 52412 1 533 . 1 . 1 75 75 SER HB2 H 1 3.860 . . . . . . . . 75 SER HB2 . 52412 1 534 . 1 . 1 75 75 SER HB3 H 1 3.861 . . . . . . . . 75 SER HB3 . 52412 1 535 . 1 . 1 75 75 SER CA C 13 58.823 . . . . . . . . 75 SER CA . 52412 1 536 . 1 . 1 75 75 SER CB C 13 59.762 . . . . . . . . 75 SER CB . 52412 1 537 . 1 . 1 75 75 SER N N 15 114.110 . . . . . . . . 75 SER N . 52412 1 538 . 1 . 1 76 76 LYS H H 1 6.755 . . . . . . . . 76 LYS H . 52412 1 539 . 1 . 1 76 76 LYS HA H 1 4.194 . . . . . . . . 76 LYS HA . 52412 1 540 . 1 . 1 76 76 LYS HD2 H 1 1.552 . . . . . . . . 76 LYS HD2 . 52412 1 541 . 1 . 1 76 76 LYS HD3 H 1 1.571 . . . . . . . . 76 LYS HD3 . 52412 1 542 . 1 . 1 76 76 LYS C C 13 177.588 . . . . . . . . 76 LYS C . 52412 1 543 . 1 . 1 76 76 LYS CA C 13 53.277 . . . . . . . . 76 LYS CA . 52412 1 544 . 1 . 1 76 76 LYS CB C 13 29.743 . . . . . . . . 76 LYS CB . 52412 1 545 . 1 . 1 76 76 LYS CD C 13 25.975 . . . . . . . . 76 LYS CD . 52412 1 546 . 1 . 1 76 76 LYS N N 15 117.175 . . . . . . . . 76 LYS N . 52412 1 547 . 1 . 1 77 77 GLN H H 1 7.314 . . . . . . . . 77 GLN H . 52412 1 548 . 1 . 1 77 77 GLN HA H 1 4.106 . . . . . . . . 77 GLN HA . 52412 1 549 . 1 . 1 77 77 GLN C C 13 175.820 . . . . . . . . 77 GLN C . 52412 1 550 . 1 . 1 77 77 GLN CA C 13 52.195 . . . . . . . . 77 GLN CA . 52412 1 551 . 1 . 1 77 77 GLN CB C 13 25.718 . . . . . . . . 77 GLN CB . 52412 1 552 . 1 . 1 77 77 GLN N N 15 117.995 . . . . . . . . 77 GLN N . 52412 1 553 . 1 . 1 78 78 ARG H H 1 8.623 . . . . . . . . 78 ARG H . 52412 1 554 . 1 . 1 78 78 ARG HA H 1 4.111 . . . . . . . . 78 ARG HA . 52412 1 555 . 1 . 1 78 78 ARG HB2 H 1 1.521 . . . . . . . . 78 ARG HB2 . 52412 1 556 . 1 . 1 78 78 ARG HB3 H 1 1.564 . . . . . . . . 78 ARG HB3 . 52412 1 557 . 1 . 1 78 78 ARG HG2 H 1 1.343 . . . . . . . . 78 ARG HG2 . 52412 1 558 . 1 . 1 78 78 ARG HG3 H 1 1.347 . . . . . . . . 78 ARG HG3 . 52412 1 559 . 1 . 1 78 78 ARG HD2 H 1 3.024 . . . . . . . . 78 ARG HD2 . 52412 1 560 . 1 . 1 78 78 ARG HD3 H 1 3.028 . . . . . . . . 78 ARG HD3 . 52412 1 561 . 1 . 1 78 78 ARG C C 13 176.905 . . . . . . . . 78 ARG C . 52412 1 562 . 1 . 1 78 78 ARG CA C 13 54.358 . . . . . . . . 78 ARG CA . 52412 1 563 . 1 . 1 78 78 ARG CB C 13 27.781 . . . . . . . . 78 ARG CB . 52412 1 564 . 1 . 1 78 78 ARG CG C 13 24.148 . . . . . . . . 78 ARG CG . 52412 1 565 . 1 . 1 78 78 ARG CD C 13 40.476 . . . . . . . . 78 ARG CD . 52412 1 566 . 1 . 1 78 78 ARG N N 15 118.339 . . . . . . . . 78 ARG N . 52412 1 567 . 1 . 1 79 79 HIS H H 1 7.699 . . . . . . . . 79 HIS H . 52412 1 568 . 1 . 1 79 79 HIS HA H 1 4.829 . . . . . . . . 79 HIS HA . 52412 1 569 . 1 . 1 79 79 HIS HB2 H 1 2.926 . . . . . . . . 79 HIS HB2 . 52412 1 570 . 1 . 1 79 79 HIS HB3 H 1 2.928 . . . . . . . . 79 HIS HB3 . 52412 1 571 . 1 . 1 79 79 HIS C C 13 174.348 . . . . . . . . 79 HIS C . 52412 1 572 . 1 . 1 79 79 HIS CA C 13 52.394 . . . . . . . . 79 HIS CA . 52412 1 573 . 1 . 1 79 79 HIS CB C 13 29.157 . . . . . . . . 79 HIS CB . 52412 1 574 . 1 . 1 79 79 HIS N N 15 116.654 . . . . . . . . 79 HIS N . 52412 1 575 . 1 . 1 80 80 ASP H H 1 8.582 . . . . . . . . 80 ASP H . 52412 1 576 . 1 . 1 80 80 ASP HA H 1 4.440 . . . . . . . . 80 ASP HA . 52412 1 577 . 1 . 1 80 80 ASP C C 13 177.695 . . . . . . . . 80 ASP C . 52412 1 578 . 1 . 1 80 80 ASP CA C 13 53.178 . . . . . . . . 80 ASP CA . 52412 1 579 . 1 . 1 80 80 ASP CB C 13 37.922 . . . . . . . . 80 ASP CB . 52412 1 580 . 1 . 1 80 80 ASP N N 15 122.617 . . . . . . . . 80 ASP N . 52412 1 581 . 1 . 1 81 81 GLY H H 1 9.426 . . . . . . . . 81 GLY H . 52412 1 582 . 1 . 1 81 81 GLY C C 13 174.677 . . . . . . . . 81 GLY C . 52412 1 583 . 1 . 1 81 81 GLY CA C 13 42.714 . . . . . . . . 81 GLY CA . 52412 1 584 . 1 . 1 81 81 GLY N N 15 111.447 . . . . . . . . 81 GLY N . 52412 1 585 . 1 . 1 82 82 ALA H H 1 7.494 . . . . . . . . 82 ALA H . 52412 1 586 . 1 . 1 82 82 ALA HB1 H 1 1.251 . . . . . . . . 82 ALA HB# . 52412 1 587 . 1 . 1 82 82 ALA HB2 H 1 1.251 . . . . . . . . 82 ALA HB# . 52412 1 588 . 1 . 1 82 82 ALA HB3 H 1 1.251 . . . . . . . . 82 ALA HB# . 52412 1 589 . 1 . 1 82 82 ALA C C 13 177.410 . . . . . . . . 82 ALA C . 52412 1 590 . 1 . 1 82 82 ALA CA C 13 50.528 . . . . . . . . 82 ALA CA . 52412 1 591 . 1 . 1 82 82 ALA CB C 13 15.174 . . . . . . . . 82 ALA CB . 52412 1 592 . 1 . 1 82 82 ALA N N 15 124.813 . . . . . . . . 82 ALA N . 52412 1 593 . 1 . 1 83 83 PHE H H 1 7.262 . . . . . . . . 83 PHE H . 52412 1 594 . 1 . 1 83 83 PHE C C 13 171.402 . . . . . . . . 83 PHE C . 52412 1 595 . 1 . 1 83 83 PHE CA C 13 52.889 . . . . . . . . 83 PHE CA . 52412 1 596 . 1 . 1 83 83 PHE CB C 13 41.164 . . . . . . . . 83 PHE CB . 52412 1 597 . 1 . 1 83 83 PHE N N 15 117.965 . . . . . . . . 83 PHE N . 52412 1 598 . 1 . 1 84 84 LEU H H 1 8.773 . . . . . . . . 84 LEU H . 52412 1 599 . 1 . 1 84 84 LEU HD11 H 1 0.202 . . . . . . . . 84 LEU QD1 . 52412 1 600 . 1 . 1 84 84 LEU HD12 H 1 0.202 . . . . . . . . 84 LEU QD1 . 52412 1 601 . 1 . 1 84 84 LEU HD13 H 1 0.202 . . . . . . . . 84 LEU QD1 . 52412 1 602 . 1 . 1 84 84 LEU HD21 H 1 0.665 . . . . . . . . 84 LEU QD2 . 52412 1 603 . 1 . 1 84 84 LEU HD22 H 1 0.665 . . . . . . . . 84 LEU QD2 . 52412 1 604 . 1 . 1 84 84 LEU HD23 H 1 0.665 . . . . . . . . 84 LEU QD2 . 52412 1 605 . 1 . 1 84 84 LEU C C 13 175.526 . . . . . . . . 84 LEU C . 52412 1 606 . 1 . 1 84 84 LEU CA C 13 51.708 . . . . . . . . 84 LEU CA . 52412 1 607 . 1 . 1 84 84 LEU CB C 13 42.288 . . . . . . . . 84 LEU CB . 52412 1 608 . 1 . 1 84 84 LEU CG C 13 24.280 . . . . . . . . 84 LEU CG . 52412 1 609 . 1 . 1 84 84 LEU CD1 C 13 24.300 . . . . . . . . 84 LEU CD1 . 52412 1 610 . 1 . 1 84 84 LEU CD2 C 13 22.264 . . . . . . . . 84 LEU CD2 . 52412 1 611 . 1 . 1 84 84 LEU N N 15 112.079 . . . . . . . . 84 LEU N . 52412 1 612 . 1 . 1 85 85 ILE H H 1 9.334 . . . . . . . . 85 ILE H . 52412 1 613 . 1 . 1 85 85 ILE HG12 H 1 1.276 . . . . . . . . 85 ILE HG12 . 52412 1 614 . 1 . 1 85 85 ILE HG13 H 1 1.760 . . . . . . . . 85 ILE HG13 . 52412 1 615 . 1 . 1 85 85 ILE HD11 H 1 0.593 . . . . . . . . 85 ILE QD1 . 52412 1 616 . 1 . 1 85 85 ILE HD12 H 1 0.593 . . . . . . . . 85 ILE QD1 . 52412 1 617 . 1 . 1 85 85 ILE HD13 H 1 0.593 . . . . . . . . 85 ILE QD1 . 52412 1 618 . 1 . 1 85 85 ILE C C 13 172.948 . . . . . . . . 85 ILE C . 52412 1 619 . 1 . 1 85 85 ILE CA C 13 57.197 . . . . . . . . 85 ILE CA . 52412 1 620 . 1 . 1 85 85 ILE CB C 13 36.337 . . . . . . . . 85 ILE CB . 52412 1 621 . 1 . 1 85 85 ILE CG1 C 13 26.279 . . . . . . . . 85 ILE CG1 . 52412 1 622 . 1 . 1 85 85 ILE CD1 C 13 9.326 . . . . . . . . 85 ILE CD1 . 52412 1 623 . 1 . 1 85 85 ILE N N 15 119.521 . . . . . . . . 85 ILE N . 52412 1 624 . 1 . 1 86 86 ARG H H 1 9.275 . . . . . . . . 86 ARG H . 52412 1 625 . 1 . 1 86 86 ARG C C 13 175.000 . . . . . . . . 86 ARG C . 52412 1 626 . 1 . 1 86 86 ARG CA C 13 49.467 . . . . . . . . 86 ARG CA . 52412 1 627 . 1 . 1 86 86 ARG CB C 13 30.849 . . . . . . . . 86 ARG CB . 52412 1 628 . 1 . 1 86 86 ARG N N 15 123.357 . . . . . . . . 86 ARG N . 52412 1 629 . 1 . 1 87 87 GLU H H 1 8.544 . . . . . . . . 87 GLU H . 52412 1 630 . 1 . 1 87 87 GLU C C 13 176.163 . . . . . . . . 87 GLU C . 52412 1 631 . 1 . 1 87 87 GLU CA C 13 53.962 . . . . . . . . 87 GLU CA . 52412 1 632 . 1 . 1 87 87 GLU CB C 13 27.058 . . . . . . . . 87 GLU CB . 52412 1 633 . 1 . 1 87 87 GLU CG C 13 34.064 . . . . . . . . 87 GLU CG . 52412 1 634 . 1 . 1 87 87 GLU N N 15 122.905 . . . . . . . . 87 GLU N . 52412 1 635 . 1 . 1 88 88 SER H H 1 8.549 . . . . . . . . 88 SER H . 52412 1 636 . 1 . 1 88 88 SER C C 13 175.256 . . . . . . . . 88 SER C . 52412 1 637 . 1 . 1 88 88 SER CA C 13 55.469 . . . . . . . . 88 SER CA . 52412 1 638 . 1 . 1 88 88 SER CB C 13 61.138 . . . . . . . . 88 SER CB . 52412 1 639 . 1 . 1 88 88 SER N N 15 120.656 . . . . . . . . 88 SER N . 52412 1 640 . 1 . 1 89 89 GLU H H 1 9.053 . . . . . . . . 89 GLU H . 52412 1 641 . 1 . 1 89 89 GLU HA H 1 4.044 . . . . . . . . 89 GLU HA . 52412 1 642 . 1 . 1 89 89 GLU HB2 H 1 1.994 . . . . . . . . 89 GLU HB2 . 52412 1 643 . 1 . 1 89 89 GLU HB3 H 1 2.132 . . . . . . . . 89 GLU HB3 . 52412 1 644 . 1 . 1 89 89 GLU C C 13 177.773 . . . . . . . . 89 GLU C . 52412 1 645 . 1 . 1 89 89 GLU CA C 13 55.525 . . . . . . . . 89 GLU CA . 52412 1 646 . 1 . 1 89 89 GLU CB C 13 27.551 . . . . . . . . 89 GLU CB . 52412 1 647 . 1 . 1 89 89 GLU CG C 13 34.159 . . . . . . . . 89 GLU CG . 52412 1 648 . 1 . 1 89 89 GLU N N 15 127.945 . . . . . . . . 89 GLU N . 52412 1 649 . 1 . 1 90 90 SER H H 1 8.310 . . . . . . . . 90 SER H . 52412 1 650 . 1 . 1 90 90 SER HA H 1 4.173 . . . . . . . . 90 SER HA . 52412 1 651 . 1 . 1 90 90 SER HB2 H 1 3.803 . . . . . . . . 90 SER HB2 . 52412 1 652 . 1 . 1 90 90 SER HB3 H 1 3.705 . . . . . . . . 90 SER HB3 . 52412 1 653 . 1 . 1 90 90 SER C C 13 174.733 . . . . . . . . 90 SER C . 52412 1 654 . 1 . 1 90 90 SER CA C 13 56.963 . . . . . . . . 90 SER CA . 52412 1 655 . 1 . 1 90 90 SER CB C 13 60.337 . . . . . . . . 90 SER CB . 52412 1 656 . 1 . 1 90 90 SER N N 15 113.638 . . . . . . . . 90 SER N . 52412 1 657 . 1 . 1 91 91 ALA H H 1 7.518 . . . . . . . . 91 ALA H . 52412 1 658 . 1 . 1 91 91 ALA HB1 H 1 1.084 . . . . . . . . 91 ALA HB# . 52412 1 659 . 1 . 1 91 91 ALA HB2 H 1 1.084 . . . . . . . . 91 ALA HB# . 52412 1 660 . 1 . 1 91 91 ALA HB3 H 1 1.084 . . . . . . . . 91 ALA HB# . 52412 1 661 . 1 . 1 91 91 ALA C C 13 171.587 . . . . . . . . 91 ALA C . 52412 1 662 . 1 . 1 91 91 ALA CA C 13 46.600 . . . . . . . . 91 ALA CA . 52412 1 663 . 1 . 1 91 91 ALA CB C 13 16.124 . . . . . . . . 91 ALA CB . 52412 1 664 . 1 . 1 91 91 ALA N N 15 126.827 . . . . . . . . 91 ALA N . 52412 1 665 . 1 . 1 92 92 PRO CA C 13 61.376 . . . . . . . . 92 PRO CA . 52412 1 666 . 1 . 1 92 92 PRO CB C 13 28.382 . . . . . . . . 92 PRO CB . 52412 1 667 . 1 . 1 93 93 GLY H H 1 8.999 . . . . . . . . 93 GLY H . 52412 1 668 . 1 . 1 93 93 GLY HA2 H 1 3.317 . . . . . . . . 93 GLY HA2 . 52412 1 669 . 1 . 1 93 93 GLY HA3 H 1 4.109 . . . . . . . . 93 GLY HA3 . 52412 1 670 . 1 . 1 93 93 GLY C C 13 173.208 . . . . . . . . 93 GLY C . 52412 1 671 . 1 . 1 93 93 GLY CA C 13 42.370 . . . . . . . . 93 GLY CA . 52412 1 672 . 1 . 1 93 93 GLY N N 15 114.127 . . . . . . . . 93 GLY N . 52412 1 673 . 1 . 1 94 94 ASP H H 1 7.934 . . . . . . . . 94 ASP H . 52412 1 674 . 1 . 1 94 94 ASP C C 13 175.311 . . . . . . . . 94 ASP C . 52412 1 675 . 1 . 1 94 94 ASP CA C 13 50.276 . . . . . . . . 94 ASP CA . 52412 1 676 . 1 . 1 94 94 ASP CB C 13 39.450 . . . . . . . . 94 ASP CB . 52412 1 677 . 1 . 1 94 94 ASP N N 15 120.522 . . . . . . . . 94 ASP N . 52412 1 678 . 1 . 1 95 95 PHE H H 1 9.245 . . . . . . . . 95 PHE H . 52412 1 679 . 1 . 1 95 95 PHE C C 13 174.781 . . . . . . . . 95 PHE C . 52412 1 680 . 1 . 1 95 95 PHE CA C 13 54.503 . . . . . . . . 95 PHE CA . 52412 1 681 . 1 . 1 95 95 PHE CB C 13 38.738 . . . . . . . . 95 PHE CB . 52412 1 682 . 1 . 1 95 95 PHE N N 15 118.449 . . . . . . . . 95 PHE N . 52412 1 683 . 1 . 1 96 96 SER H H 1 9.468 . . . . . . . . 96 SER H . 52412 1 684 . 1 . 1 96 96 SER HB2 H 1 3.461 . . . . . . . . 96 SER HB2 . 52412 1 685 . 1 . 1 96 96 SER HB3 H 1 3.553 . . . . . . . . 96 SER HB3 . 52412 1 686 . 1 . 1 96 96 SER C C 13 170.838 . . . . . . . . 96 SER C . 52412 1 687 . 1 . 1 96 96 SER CA C 13 54.615 . . . . . . . . 96 SER CA . 52412 1 688 . 1 . 1 96 96 SER CB C 13 62.742 . . . . . . . . 96 SER CB . 52412 1 689 . 1 . 1 96 96 SER N N 15 115.879 . . . . . . . . 96 SER N . 52412 1 690 . 1 . 1 97 97 LEU H H 1 9.624 . . . . . . . . 97 LEU H . 52412 1 691 . 1 . 1 97 97 LEU HG H 1 1.506 . . . . . . . . 97 LEU HG . 52412 1 692 . 1 . 1 97 97 LEU HD11 H 1 0.345 . . . . . . . . 97 LEU QD1 . 52412 1 693 . 1 . 1 97 97 LEU HD12 H 1 0.345 . . . . . . . . 97 LEU QD1 . 52412 1 694 . 1 . 1 97 97 LEU HD13 H 1 0.345 . . . . . . . . 97 LEU QD1 . 52412 1 695 . 1 . 1 97 97 LEU HD21 H 1 0.636 . . . . . . . . 97 LEU QD2 . 52412 1 696 . 1 . 1 97 97 LEU HD22 H 1 0.636 . . . . . . . . 97 LEU QD2 . 52412 1 697 . 1 . 1 97 97 LEU HD23 H 1 0.636 . . . . . . . . 97 LEU QD2 . 52412 1 698 . 1 . 1 97 97 LEU C C 13 175.087 . . . . . . . . 97 LEU C . 52412 1 699 . 1 . 1 97 97 LEU CA C 13 51.257 . . . . . . . . 97 LEU CA . 52412 1 700 . 1 . 1 97 97 LEU CB C 13 42.311 . . . . . . . . 97 LEU CB . 52412 1 701 . 1 . 1 97 97 LEU CG C 13 24.890 . . . . . . . . 97 LEU CG . 52412 1 702 . 1 . 1 97 97 LEU CD1 C 13 22.892 . . . . . . . . 97 LEU CD1 . 52412 1 703 . 1 . 1 97 97 LEU CD2 C 13 22.621 . . . . . . . . 97 LEU CD2 . 52412 1 704 . 1 . 1 97 97 LEU N N 15 127.630 . . . . . . . . 97 LEU N . 52412 1 705 . 1 . 1 98 98 SER H H 1 9.183 . . . . . . . . 98 SER H . 52412 1 706 . 1 . 1 98 98 SER C C 13 172.164 . . . . . . . . 98 SER C . 52412 1 707 . 1 . 1 98 98 SER CA C 13 56.029 . . . . . . . . 98 SER CA . 52412 1 708 . 1 . 1 98 98 SER CB C 13 63.103 . . . . . . . . 98 SER CB . 52412 1 709 . 1 . 1 98 98 SER N N 15 124.518 . . . . . . . . 98 SER N . 52412 1 710 . 1 . 1 99 99 VAL H H 1 9.224 . . . . . . . . 99 VAL H . 52412 1 711 . 1 . 1 99 99 VAL HB H 1 1.781 . . . . . . . . 99 VAL HB . 52412 1 712 . 1 . 1 99 99 VAL HG11 H 1 0.793 . . . . . . . . 99 VAL QG1 . 52412 1 713 . 1 . 1 99 99 VAL HG12 H 1 0.793 . . . . . . . . 99 VAL QG1 . 52412 1 714 . 1 . 1 99 99 VAL HG13 H 1 0.793 . . . . . . . . 99 VAL QG1 . 52412 1 715 . 1 . 1 99 99 VAL HG21 H 1 0.773 . . . . . . . . 99 VAL QG2 . 52412 1 716 . 1 . 1 99 99 VAL HG22 H 1 0.773 . . . . . . . . 99 VAL QG2 . 52412 1 717 . 1 . 1 99 99 VAL HG23 H 1 0.773 . . . . . . . . 99 VAL QG2 . 52412 1 718 . 1 . 1 99 99 VAL C C 13 173.412 . . . . . . . . 99 VAL C . 52412 1 719 . 1 . 1 99 99 VAL CA C 13 57.013 . . . . . . . . 99 VAL CA . 52412 1 720 . 1 . 1 99 99 VAL CB C 13 33.255 . . . . . . . . 99 VAL CB . 52412 1 721 . 1 . 1 99 99 VAL CG1 C 13 17.525 . . . . . . . . 99 VAL CG1 . 52412 1 722 . 1 . 1 99 99 VAL CG2 C 13 19.123 . . . . . . . . 99 VAL CG2 . 52412 1 723 . 1 . 1 99 99 VAL N N 15 122.210 . . . . . . . . 99 VAL N . 52412 1 724 . 1 . 1 100 100 LYS H H 1 9.171 . . . . . . . . 100 LYS H . 52412 1 725 . 1 . 1 100 100 LYS HA H 1 4.404 . . . . . . . . 100 LYS HA . 52412 1 726 . 1 . 1 100 100 LYS HD3 H 1 1.598 . . . . . . . . 100 LYS HD3 . 52412 1 727 . 1 . 1 100 100 LYS HE3 H 1 2.909 . . . . . . . . 100 LYS HE3 . 52412 1 728 . 1 . 1 100 100 LYS C C 13 175.670 . . . . . . . . 100 LYS C . 52412 1 729 . 1 . 1 100 100 LYS CA C 13 53.889 . . . . . . . . 100 LYS CA . 52412 1 730 . 1 . 1 100 100 LYS CB C 13 31.722 . . . . . . . . 100 LYS CB . 52412 1 731 . 1 . 1 100 100 LYS CD C 13 25.974 . . . . . . . . 100 LYS CD . 52412 1 732 . 1 . 1 100 100 LYS N N 15 128.825 . . . . . . . . 100 LYS N . 52412 1 733 . 1 . 1 101 101 PHE H H 1 8.638 . . . . . . . . 101 PHE H . 52412 1 734 . 1 . 1 101 101 PHE HA H 1 4.556 . . . . . . . . 101 PHE HA . 52412 1 735 . 1 . 1 101 101 PHE HB2 H 1 2.744 . . . . . . . . 101 PHE HB2 . 52412 1 736 . 1 . 1 101 101 PHE HB3 H 1 2.755 . . . . . . . . 101 PHE HB3 . 52412 1 737 . 1 . 1 101 101 PHE C C 13 174.767 . . . . . . . . 101 PHE C . 52412 1 738 . 1 . 1 101 101 PHE CA C 13 56.517 . . . . . . . . 101 PHE CA . 52412 1 739 . 1 . 1 101 101 PHE CB C 13 37.893 . . . . . . . . 101 PHE CB . 52412 1 740 . 1 . 1 101 101 PHE N N 15 128.184 . . . . . . . . 101 PHE N . 52412 1 741 . 1 . 1 102 102 GLY H H 1 9.334 . . . . . . . . 102 GLY H . 52412 1 742 . 1 . 1 102 102 GLY HA2 H 1 3.514 . . . . . . . . 102 GLY HA2 . 52412 1 743 . 1 . 1 102 102 GLY HA3 H 1 3.400 . . . . . . . . 102 GLY HA3 . 52412 1 744 . 1 . 1 102 102 GLY C C 13 174.615 . . . . . . . . 102 GLY C . 52412 1 745 . 1 . 1 102 102 GLY CA C 13 43.852 . . . . . . . . 102 GLY CA . 52412 1 746 . 1 . 1 102 102 GLY N N 15 121.001 . . . . . . . . 102 GLY N . 52412 1 747 . 1 . 1 103 103 ASN H H 1 8.733 . . . . . . . . 103 ASN H . 52412 1 748 . 1 . 1 103 103 ASN HA H 1 4.705 . . . . . . . . 103 ASN HA . 52412 1 749 . 1 . 1 103 103 ASN HB2 H 1 2.908 . . . . . . . . 103 ASN HB2 . 52412 1 750 . 1 . 1 103 103 ASN HB3 H 1 2.562 . . . . . . . . 103 ASN HB3 . 52412 1 751 . 1 . 1 103 103 ASN C C 13 174.014 . . . . . . . . 103 ASN C . 52412 1 752 . 1 . 1 103 103 ASN CA C 13 50.500 . . . . . . . . 103 ASN CA . 52412 1 753 . 1 . 1 103 103 ASN CB C 13 35.707 . . . . . . . . 103 ASN CB . 52412 1 754 . 1 . 1 103 103 ASN N N 15 123.900 . . . . . . . . 103 ASN N . 52412 1 755 . 1 . 1 104 104 ASP H H 1 7.873 . . . . . . . . 104 ASP H . 52412 1 756 . 1 . 1 104 104 ASP HA H 1 4.878 . . . . . . . . 104 ASP HA . 52412 1 757 . 1 . 1 104 104 ASP HB2 H 1 2.649 . . . . . . . . 104 ASP HB2 . 52412 1 758 . 1 . 1 104 104 ASP HB3 H 1 2.652 . . . . . . . . 104 ASP HB3 . 52412 1 759 . 1 . 1 104 104 ASP C C 13 174.570 . . . . . . . . 104 ASP C . 52412 1 760 . 1 . 1 104 104 ASP CA C 13 50.487 . . . . . . . . 104 ASP CA . 52412 1 761 . 1 . 1 104 104 ASP CB C 13 41.787 . . . . . . . . 104 ASP CB . 52412 1 762 . 1 . 1 104 104 ASP N N 15 119.075 . . . . . . . . 104 ASP N . 52412 1 763 . 1 . 1 105 105 VAL H H 1 8.255 . . . . . . . . 105 VAL H . 52412 1 764 . 1 . 1 105 105 VAL HA H 1 4.344 . . . . . . . . 105 VAL HA . 52412 1 765 . 1 . 1 105 105 VAL HB H 1 1.655 . . . . . . . . 105 VAL HB . 52412 1 766 . 1 . 1 105 105 VAL HG11 H 1 0.317 . . . . . . . . 105 VAL QG1 . 52412 1 767 . 1 . 1 105 105 VAL HG12 H 1 0.317 . . . . . . . . 105 VAL QG1 . 52412 1 768 . 1 . 1 105 105 VAL HG13 H 1 0.317 . . . . . . . . 105 VAL QG1 . 52412 1 769 . 1 . 1 105 105 VAL HG21 H 1 0.315 . . . . . . . . 105 VAL QG2 . 52412 1 770 . 1 . 1 105 105 VAL HG22 H 1 0.315 . . . . . . . . 105 VAL QG2 . 52412 1 771 . 1 . 1 105 105 VAL HG23 H 1 0.315 . . . . . . . . 105 VAL QG2 . 52412 1 772 . 1 . 1 105 105 VAL C C 13 174.538 . . . . . . . . 105 VAL C . 52412 1 773 . 1 . 1 105 105 VAL CA C 13 58.898 . . . . . . . . 105 VAL CA . 52412 1 774 . 1 . 1 105 105 VAL CB C 13 30.671 . . . . . . . . 105 VAL CB . 52412 1 775 . 1 . 1 105 105 VAL CG1 C 13 19.083 . . . . . . . . 105 VAL CG1 . 52412 1 776 . 1 . 1 105 105 VAL CG2 C 13 19.108 . . . . . . . . 105 VAL CG2 . 52412 1 777 . 1 . 1 105 105 VAL N N 15 120.248 . . . . . . . . 105 VAL N . 52412 1 778 . 1 . 1 106 106 GLN H H 1 9.000 . . . . . . . . 106 GLN H . 52412 1 779 . 1 . 1 106 106 GLN C C 13 174.399 . . . . . . . . 106 GLN C . 52412 1 780 . 1 . 1 106 106 GLN CA C 13 51.889 . . . . . . . . 106 GLN CA . 52412 1 781 . 1 . 1 106 106 GLN CB C 13 27.632 . . . . . . . . 106 GLN CB . 52412 1 782 . 1 . 1 106 106 GLN N N 15 125.700 . . . . . . . . 106 GLN N . 52412 1 783 . 1 . 1 107 107 HIS H H 1 8.530 . . . . . . . . 107 HIS H . 52412 1 784 . 1 . 1 107 107 HIS C C 13 174.017 . . . . . . . . 107 HIS C . 52412 1 785 . 1 . 1 107 107 HIS CA C 13 51.959 . . . . . . . . 107 HIS CA . 52412 1 786 . 1 . 1 107 107 HIS CB C 13 31.154 . . . . . . . . 107 HIS CB . 52412 1 787 . 1 . 1 107 107 HIS N N 15 118.761 . . . . . . . . 107 HIS N . 52412 1 788 . 1 . 1 108 108 PHE H H 1 10.260 . . . . . . . . 108 PHE H . 52412 1 789 . 1 . 1 108 108 PHE C C 13 174.935 . . . . . . . . 108 PHE C . 52412 1 790 . 1 . 1 108 108 PHE CA C 13 53.554 . . . . . . . . 108 PHE CA . 52412 1 791 . 1 . 1 108 108 PHE CB C 13 39.240 . . . . . . . . 108 PHE CB . 52412 1 792 . 1 . 1 108 108 PHE N N 15 121.496 . . . . . . . . 108 PHE N . 52412 1 793 . 1 . 1 109 109 LYS H H 1 9.611 . . . . . . . . 109 LYS H . 52412 1 794 . 1 . 1 109 109 LYS C C 13 175.657 . . . . . . . . 109 LYS C . 52412 1 795 . 1 . 1 109 109 LYS CA C 13 52.802 . . . . . . . . 109 LYS CA . 52412 1 796 . 1 . 1 109 109 LYS CB C 13 28.771 . . . . . . . . 109 LYS CB . 52412 1 797 . 1 . 1 109 109 LYS N N 15 126.115 . . . . . . . . 109 LYS N . 52412 1 798 . 1 . 1 110 110 VAL H H 1 8.137 . . . . . . . . 110 VAL H . 52412 1 799 . 1 . 1 110 110 VAL HB H 1 2.233 . . . . . . . . 110 VAL HB . 52412 1 800 . 1 . 1 110 110 VAL HG11 H 1 0.594 . . . . . . . . 110 VAL QG1 . 52412 1 801 . 1 . 1 110 110 VAL HG12 H 1 0.594 . . . . . . . . 110 VAL QG1 . 52412 1 802 . 1 . 1 110 110 VAL HG13 H 1 0.594 . . . . . . . . 110 VAL QG1 . 52412 1 803 . 1 . 1 110 110 VAL HG21 H 1 0.906 . . . . . . . . 110 VAL QG2 . 52412 1 804 . 1 . 1 110 110 VAL HG22 H 1 0.906 . . . . . . . . 110 VAL QG2 . 52412 1 805 . 1 . 1 110 110 VAL HG23 H 1 0.906 . . . . . . . . 110 VAL QG2 . 52412 1 806 . 1 . 1 110 110 VAL C C 13 174.933 . . . . . . . . 110 VAL C . 52412 1 807 . 1 . 1 110 110 VAL CA C 13 60.121 . . . . . . . . 110 VAL CA . 52412 1 808 . 1 . 1 110 110 VAL CB C 13 26.782 . . . . . . . . 110 VAL CB . 52412 1 809 . 1 . 1 110 110 VAL CG1 C 13 16.869 . . . . . . . . 110 VAL CG1 . 52412 1 810 . 1 . 1 110 110 VAL CG2 C 13 19.563 . . . . . . . . 110 VAL CG2 . 52412 1 811 . 1 . 1 110 110 VAL N N 15 124.111 . . . . . . . . 110 VAL N . 52412 1 812 . 1 . 1 111 111 LEU H H 1 8.396 . . . . . . . . 111 LEU H . 52412 1 813 . 1 . 1 111 111 LEU HD11 H 1 0.497 . . . . . . . . 111 LEU QD1 . 52412 1 814 . 1 . 1 111 111 LEU HD12 H 1 0.497 . . . . . . . . 111 LEU QD1 . 52412 1 815 . 1 . 1 111 111 LEU HD13 H 1 0.497 . . . . . . . . 111 LEU QD1 . 52412 1 816 . 1 . 1 111 111 LEU HD21 H 1 0.456 . . . . . . . . 111 LEU QD2 . 52412 1 817 . 1 . 1 111 111 LEU HD22 H 1 0.456 . . . . . . . . 111 LEU QD2 . 52412 1 818 . 1 . 1 111 111 LEU HD23 H 1 0.456 . . . . . . . . 111 LEU QD2 . 52412 1 819 . 1 . 1 111 111 LEU C C 13 174.852 . . . . . . . . 111 LEU C . 52412 1 820 . 1 . 1 111 111 LEU CA C 13 51.697 . . . . . . . . 111 LEU CA . 52412 1 821 . 1 . 1 111 111 LEU CB C 13 37.860 . . . . . . . . 111 LEU CB . 52412 1 822 . 1 . 1 111 111 LEU CD1 C 13 20.328 . . . . . . . . 111 LEU CD1 . 52412 1 823 . 1 . 1 111 111 LEU CD2 C 13 22.925 . . . . . . . . 111 LEU CD2 . 52412 1 824 . 1 . 1 111 111 LEU N N 15 132.391 . . . . . . . . 111 LEU N . 52412 1 825 . 1 . 1 112 112 ARG H H 1 7.802 . . . . . . . . 112 ARG H . 52412 1 826 . 1 . 1 112 112 ARG HA H 1 4.184 . . . . . . . . 112 ARG HA . 52412 1 827 . 1 . 1 112 112 ARG HB2 H 1 1.675 . . . . . . . . 112 ARG HB2 . 52412 1 828 . 1 . 1 112 112 ARG HB3 H 1 1.679 . . . . . . . . 112 ARG HB3 . 52412 1 829 . 1 . 1 112 112 ARG C C 13 177.610 . . . . . . . . 112 ARG C . 52412 1 830 . 1 . 1 112 112 ARG CA C 13 50.277 . . . . . . . . 112 ARG CA . 52412 1 831 . 1 . 1 112 112 ARG CB C 13 29.639 . . . . . . . . 112 ARG CB . 52412 1 832 . 1 . 1 112 112 ARG N N 15 115.825 . . . . . . . . 112 ARG N . 52412 1 833 . 1 . 1 113 113 ASP H H 1 7.957 . . . . . . . . 113 ASP H . 52412 1 834 . 1 . 1 113 113 ASP C C 13 178.212 . . . . . . . . 113 ASP C . 52412 1 835 . 1 . 1 113 113 ASP CA C 13 49.232 . . . . . . . . 113 ASP CA . 52412 1 836 . 1 . 1 113 113 ASP CB C 13 39.269 . . . . . . . . 113 ASP CB . 52412 1 837 . 1 . 1 113 113 ASP N N 15 121.351 . . . . . . . . 113 ASP N . 52412 1 838 . 1 . 1 114 114 GLY C C 13 174.232 . . . . . . . . 114 GLY C . 52412 1 839 . 1 . 1 114 114 GLY CA C 13 43.514 . . . . . . . . 114 GLY CA . 52412 1 840 . 1 . 1 114 114 GLY N N 15 121.317 . . . . . . . . 114 GLY N . 52412 1 841 . 1 . 1 115 115 ALA H H 1 8.059 . . . . . . . . 115 ALA H . 52412 1 842 . 1 . 1 115 115 ALA HB1 H 1 1.328 . . . . . . . . 115 ALA HB# . 52412 1 843 . 1 . 1 115 115 ALA HB2 H 1 1.328 . . . . . . . . 115 ALA HB# . 52412 1 844 . 1 . 1 115 115 ALA HB3 H 1 1.328 . . . . . . . . 115 ALA HB# . 52412 1 845 . 1 . 1 115 115 ALA C C 13 177.328 . . . . . . . . 115 ALA C . 52412 1 846 . 1 . 1 115 115 ALA CA C 13 48.335 . . . . . . . . 115 ALA CA . 52412 1 847 . 1 . 1 115 115 ALA CB C 13 16.273 . . . . . . . . 115 ALA CB . 52412 1 848 . 1 . 1 115 115 ALA N N 15 122.803 . . . . . . . . 115 ALA N . 52412 1 849 . 1 . 1 116 116 GLY H H 1 8.012 . . . . . . . . 116 GLY H . 52412 1 850 . 1 . 1 116 116 GLY C C 13 174.583 . . . . . . . . 116 GLY C . 52412 1 851 . 1 . 1 116 116 GLY CA C 13 42.760 . . . . . . . . 116 GLY CA . 52412 1 852 . 1 . 1 116 116 GLY N N 15 107.538 . . . . . . . . 116 GLY N . 52412 1 853 . 1 . 1 117 117 LYS HB3 H 1 1.985 . . . . . . . . 117 LYS HB3 . 52412 1 854 . 1 . 1 117 117 LYS C C 13 175.620 . . . . . . . . 117 LYS C . 52412 1 855 . 1 . 1 117 117 LYS CA C 13 51.862 . . . . . . . . 117 LYS CA . 52412 1 856 . 1 . 1 117 117 LYS CB C 13 29.647 . . . . . . . . 117 LYS CB . 52412 1 857 . 1 . 1 118 118 TYR H H 1 8.847 . . . . . . . . 118 TYR H . 52412 1 858 . 1 . 1 118 118 TYR C C 13 176.494 . . . . . . . . 118 TYR C . 52412 1 859 . 1 . 1 118 118 TYR CA C 13 54.051 . . . . . . . . 118 TYR CA . 52412 1 860 . 1 . 1 118 118 TYR CB C 13 38.209 . . . . . . . . 118 TYR CB . 52412 1 861 . 1 . 1 118 118 TYR N N 15 118.279 . . . . . . . . 118 TYR N . 52412 1 862 . 1 . 1 119 119 PHE H H 1 9.153 . . . . . . . . 119 PHE H . 52412 1 863 . 1 . 1 119 119 PHE CA C 13 54.498 . . . . . . . . 119 PHE CA . 52412 1 864 . 1 . 1 119 119 PHE N N 15 116.889 . . . . . . . . 119 PHE N . 52412 1 865 . 1 . 1 120 120 LEU H H 1 8.757 . . . . . . . . 120 LEU H . 52412 1 866 . 1 . 1 120 120 LEU HA H 1 4.415 . . . . . . . . 120 LEU HA . 52412 1 867 . 1 . 1 120 120 LEU CA C 13 55.769 . . . . . . . . 120 LEU CA . 52412 1 868 . 1 . 1 120 120 LEU N N 15 112.059 . . . . . . . . 120 LEU N . 52412 1 869 . 1 . 1 122 122 VAL C C 13 175.326 . . . . . . . . 122 VAL C . 52412 1 870 . 1 . 1 122 122 VAL CA C 13 61.128 . . . . . . . . 122 VAL CA . 52412 1 871 . 1 . 1 123 123 VAL H H 1 8.156 . . . . . . . . 123 VAL H . 52412 1 872 . 1 . 1 123 123 VAL HB H 1 1.565 . . . . . . . . 123 VAL HB . 52412 1 873 . 1 . 1 123 123 VAL HG11 H 1 0.139 . . . . . . . . 123 VAL QG1 . 52412 1 874 . 1 . 1 123 123 VAL HG12 H 1 0.139 . . . . . . . . 123 VAL QG1 . 52412 1 875 . 1 . 1 123 123 VAL HG13 H 1 0.139 . . . . . . . . 123 VAL QG1 . 52412 1 876 . 1 . 1 123 123 VAL HG21 H 1 0.839 . . . . . . . . 123 VAL QG2 . 52412 1 877 . 1 . 1 123 123 VAL HG22 H 1 0.839 . . . . . . . . 123 VAL QG2 . 52412 1 878 . 1 . 1 123 123 VAL HG23 H 1 0.839 . . . . . . . . 123 VAL QG2 . 52412 1 879 . 1 . 1 123 123 VAL C C 13 174.245 . . . . . . . . 123 VAL C . 52412 1 880 . 1 . 1 123 123 VAL CA C 13 61.129 . . . . . . . . 123 VAL CA . 52412 1 881 . 1 . 1 123 123 VAL CB C 13 28.637 . . . . . . . . 123 VAL CB . 52412 1 882 . 1 . 1 123 123 VAL CG1 C 13 18.723 . . . . . . . . 123 VAL CG1 . 52412 1 883 . 1 . 1 123 123 VAL CG2 C 13 18.661 . . . . . . . . 123 VAL CG2 . 52412 1 884 . 1 . 1 123 123 VAL N N 15 121.941 . . . . . . . . 123 VAL N . 52412 1 885 . 1 . 1 124 124 LYS H H 1 7.656 . . . . . . . . 124 LYS H . 52412 1 886 . 1 . 1 124 124 LYS C C 13 175.982 . . . . . . . . 124 LYS C . 52412 1 887 . 1 . 1 124 124 LYS CA C 13 51.714 . . . . . . . . 124 LYS CA . 52412 1 888 . 1 . 1 124 124 LYS CB C 13 32.120 . . . . . . . . 124 LYS CB . 52412 1 889 . 1 . 1 124 124 LYS CG C 13 22.013 . . . . . . . . 124 LYS CG . 52412 1 890 . 1 . 1 124 124 LYS N N 15 121.766 . . . . . . . . 124 LYS N . 52412 1 891 . 1 . 1 125 125 PHE C C 13 175.836 . . . . . . . . 125 PHE C . 52412 1 892 . 1 . 1 125 125 PHE CA C 13 53.795 . . . . . . . . 125 PHE CA . 52412 1 893 . 1 . 1 125 125 PHE CB C 13 40.218 . . . . . . . . 125 PHE CB . 52412 1 894 . 1 . 1 126 126 ASN H H 1 9.392 . . . . . . . . 126 ASN H . 52412 1 895 . 1 . 1 126 126 ASN C C 13 174.183 . . . . . . . . 126 ASN C . 52412 1 896 . 1 . 1 126 126 ASN CA C 13 51.940 . . . . . . . . 126 ASN CA . 52412 1 897 . 1 . 1 126 126 ASN CB C 13 37.235 . . . . . . . . 126 ASN CB . 52412 1 898 . 1 . 1 126 126 ASN N N 15 118.063 . . . . . . . . 126 ASN N . 52412 1 899 . 1 . 1 127 127 SER H H 1 7.427 . . . . . . . . 127 SER H . 52412 1 900 . 1 . 1 127 127 SER C C 13 173.814 . . . . . . . . 127 SER C . 52412 1 901 . 1 . 1 127 127 SER CA C 13 53.859 . . . . . . . . 127 SER CA . 52412 1 902 . 1 . 1 127 127 SER CB C 13 63.819 . . . . . . . . 127 SER CB . 52412 1 903 . 1 . 1 127 127 SER N N 15 107.133 . . . . . . . . 127 SER N . 52412 1 904 . 1 . 1 128 128 LEU HD21 H 1 0.887 . . . . . . . . 128 LEU QD2 . 52412 1 905 . 1 . 1 128 128 LEU HD22 H 1 0.887 . . . . . . . . 128 LEU QD2 . 52412 1 906 . 1 . 1 128 128 LEU HD23 H 1 0.887 . . . . . . . . 128 LEU QD2 . 52412 1 907 . 1 . 1 130 130 GLU CG C 13 35.722 . . . . . . . . 130 GLU CG . 52412 1 908 . 1 . 1 131 131 LEU H H 1 6.766 . . . . . . . . 131 LEU H . 52412 1 909 . 1 . 1 131 131 LEU N N 15 122.640 . . . . . . . . 131 LEU N . 52412 1 910 . 1 . 1 132 132 VAL HB H 1 1.305 . . . . . . . . 132 VAL HB . 52412 1 911 . 1 . 1 132 132 VAL HG11 H 1 -0.370 . . . . . . . . 132 VAL QG1 . 52412 1 912 . 1 . 1 132 132 VAL HG12 H 1 -0.370 . . . . . . . . 132 VAL QG1 . 52412 1 913 . 1 . 1 132 132 VAL HG13 H 1 -0.370 . . . . . . . . 132 VAL QG1 . 52412 1 914 . 1 . 1 132 132 VAL HG21 H 1 0.123 . . . . . . . . 132 VAL QG2 . 52412 1 915 . 1 . 1 132 132 VAL HG22 H 1 0.123 . . . . . . . . 132 VAL QG2 . 52412 1 916 . 1 . 1 132 132 VAL HG23 H 1 0.123 . . . . . . . . 132 VAL QG2 . 52412 1 917 . 1 . 1 132 132 VAL CB C 13 28.477 . . . . . . . . 132 VAL CB . 52412 1 918 . 1 . 1 132 132 VAL CG1 C 13 19.112 . . . . . . . . 132 VAL CG1 . 52412 1 919 . 1 . 1 132 132 VAL CG2 C 13 18.009 . . . . . . . . 132 VAL CG2 . 52412 1 920 . 1 . 1 133 133 ASP H H 1 7.528 . . . . . . . . 133 ASP H . 52412 1 921 . 1 . 1 133 133 ASP N N 15 115.439 . . . . . . . . 133 ASP N . 52412 1 922 . 1 . 1 135 135 HIS C C 13 174.015 . . . . . . . . 135 HIS C . 52412 1 923 . 1 . 1 135 135 HIS CB C 13 33.521 . . . . . . . . 135 HIS CB . 52412 1 924 . 1 . 1 135 135 HIS N N 15 123.411 . . . . . . . . 135 HIS N . 52412 1 925 . 1 . 1 136 136 ARG H H 1 7.331 . . . . . . . . 136 ARG H . 52412 1 926 . 1 . 1 136 136 ARG C C 13 178.323 . . . . . . . . 136 ARG C . 52412 1 927 . 1 . 1 136 136 ARG CA C 13 55.411 . . . . . . . . 136 ARG CA . 52412 1 928 . 1 . 1 136 136 ARG CB C 13 27.135 . . . . . . . . 136 ARG CB . 52412 1 929 . 1 . 1 136 136 ARG N N 15 116.448 . . . . . . . . 136 ARG N . 52412 1 930 . 1 . 1 137 137 SER H H 1 7.095 . . . . . . . . 137 SER H . 52412 1 931 . 1 . 1 137 137 SER HB3 H 1 3.735 . . . . . . . . 137 SER HB3 . 52412 1 932 . 1 . 1 137 137 SER C C 13 172.701 . . . . . . . . 137 SER C . 52412 1 933 . 1 . 1 137 137 SER CA C 13 55.328 . . . . . . . . 137 SER CA . 52412 1 934 . 1 . 1 137 137 SER CB C 13 61.886 . . . . . . . . 137 SER CB . 52412 1 935 . 1 . 1 137 137 SER N N 15 107.198 . . . . . . . . 137 SER N . 52412 1 936 . 1 . 1 138 138 THR H H 1 7.190 . . . . . . . . 138 THR H . 52412 1 937 . 1 . 1 138 138 THR HA H 1 4.191 . . . . . . . . 138 THR HA . 52412 1 938 . 1 . 1 138 138 THR HB H 1 4.191 . . . . . . . . 138 THR HB . 52412 1 939 . 1 . 1 138 138 THR CA C 13 60.287 . . . . . . . . 138 THR CA . 52412 1 940 . 1 . 1 138 138 THR CB C 13 67.483 . . . . . . . . 138 THR CB . 52412 1 941 . 1 . 1 138 138 THR CG2 C 13 18.629 . . . . . . . . 138 THR CG2 . 52412 1 942 . 1 . 1 138 138 THR N N 15 120.073 . . . . . . . . 138 THR N . 52412 1 943 . 1 . 1 140 140 VAL HG11 H 1 0.174 . . . . . . . . 140 VAL QG1 . 52412 1 944 . 1 . 1 140 140 VAL HG12 H 1 0.174 . . . . . . . . 140 VAL QG1 . 52412 1 945 . 1 . 1 140 140 VAL HG13 H 1 0.174 . . . . . . . . 140 VAL QG1 . 52412 1 946 . 1 . 1 141 141 SER H H 1 7.625 . . . . . . . . 141 SER H . 52412 1 947 . 1 . 1 141 141 SER HA H 1 3.795 . . . . . . . . 141 SER HA . 52412 1 948 . 1 . 1 141 141 SER HB3 H 1 3.800 . . . . . . . . 141 SER HB3 . 52412 1 949 . 1 . 1 141 141 SER C C 13 174.714 . . . . . . . . 141 SER C . 52412 1 950 . 1 . 1 141 141 SER CA C 13 52.404 . . . . . . . . 141 SER CA . 52412 1 951 . 1 . 1 141 141 SER CB C 13 61.196 . . . . . . . . 141 SER CB . 52412 1 952 . 1 . 1 141 141 SER N N 15 110.948 . . . . . . . . 141 SER N . 52412 1 953 . 1 . 1 142 142 ARG H H 1 8.601 . . . . . . . . 142 ARG H . 52412 1 954 . 1 . 1 142 142 ARG HA H 1 3.951 . . . . . . . . 142 ARG HA . 52412 1 955 . 1 . 1 142 142 ARG HB2 H 1 1.430 . . . . . . . . 142 ARG HB2 . 52412 1 956 . 1 . 1 142 142 ARG HB3 H 1 1.432 . . . . . . . . 142 ARG HB3 . 52412 1 957 . 1 . 1 142 142 ARG C C 13 176.479 . . . . . . . . 142 ARG C . 52412 1 958 . 1 . 1 142 142 ARG CA C 13 54.607 . . . . . . . . 142 ARG CA . 52412 1 959 . 1 . 1 142 142 ARG CB C 13 27.261 . . . . . . . . 142 ARG CB . 52412 1 960 . 1 . 1 142 142 ARG CG C 13 23.763 . . . . . . . . 142 ARG CG . 52412 1 961 . 1 . 1 142 142 ARG N N 15 124.307 . . . . . . . . 142 ARG N . 52412 1 962 . 1 . 1 143 143 ASN H H 1 8.051 . . . . . . . . 143 ASN H . 52412 1 963 . 1 . 1 143 143 ASN HA H 1 4.645 . . . . . . . . 143 ASN HA . 52412 1 964 . 1 . 1 143 143 ASN HB2 H 1 2.669 . . . . . . . . 143 ASN HB2 . 52412 1 965 . 1 . 1 143 143 ASN HB3 H 1 2.583 . . . . . . . . 143 ASN HB3 . 52412 1 966 . 1 . 1 143 143 ASN C C 13 174.012 . . . . . . . . 143 ASN C . 52412 1 967 . 1 . 1 143 143 ASN CB C 13 37.072 . . . . . . . . 143 ASN CB . 52412 1 968 . 1 . 1 143 143 ASN N N 15 115.089 . . . . . . . . 143 ASN N . 52412 1 969 . 1 . 1 144 144 GLN H H 1 7.515 . . . . . . . . 144 GLN H . 52412 1 970 . 1 . 1 144 144 GLN HA H 1 4.054 . . . . . . . . 144 GLN HA . 52412 1 971 . 1 . 1 144 144 GLN CA C 13 51.356 . . . . . . . . 144 GLN CA . 52412 1 972 . 1 . 1 144 144 GLN CB C 13 29.241 . . . . . . . . 144 GLN CB . 52412 1 973 . 1 . 1 144 144 GLN N N 15 117.782 . . . . . . . . 144 GLN N . 52412 1 974 . 1 . 1 145 145 GLN CA C 13 52.188 . . . . . . . . 145 GLN CA . 52412 1 975 . 1 . 1 145 145 GLN CB C 13 25.277 . . . . . . . . 145 GLN CB . 52412 1 976 . 1 . 1 145 145 GLN CG C 13 30.746 . . . . . . . . 145 GLN CG . 52412 1 977 . 1 . 1 145 145 GLN NE2 N 15 112.575 . . . . . . . . 145 GLN NE2 . 52412 1 978 . 1 . 1 146 146 ILE H H 1 7.929 . . . . . . . . 146 ILE H . 52412 1 979 . 1 . 1 146 146 ILE HB H 1 1.167 . . . . . . . . 146 ILE HB . 52412 1 980 . 1 . 1 146 146 ILE HG21 H 1 0.421 . . . . . . . . 146 ILE QG2 . 52412 1 981 . 1 . 1 146 146 ILE HG22 H 1 0.421 . . . . . . . . 146 ILE QG2 . 52412 1 982 . 1 . 1 146 146 ILE HG23 H 1 0.421 . . . . . . . . 146 ILE QG2 . 52412 1 983 . 1 . 1 146 146 ILE HD11 H 1 0.119 . . . . . . . . 146 ILE QD1 . 52412 1 984 . 1 . 1 146 146 ILE HD12 H 1 0.119 . . . . . . . . 146 ILE QD1 . 52412 1 985 . 1 . 1 146 146 ILE HD13 H 1 0.119 . . . . . . . . 146 ILE QD1 . 52412 1 986 . 1 . 1 146 146 ILE C C 13 172.716 . . . . . . . . 146 ILE C . 52412 1 987 . 1 . 1 146 146 ILE CA C 13 58.053 . . . . . . . . 146 ILE CA . 52412 1 988 . 1 . 1 146 146 ILE CB C 13 36.887 . . . . . . . . 146 ILE CB . 52412 1 989 . 1 . 1 146 146 ILE CG2 C 13 14.075 . . . . . . . . 146 ILE CG2 . 52412 1 990 . 1 . 1 146 146 ILE CD1 C 13 10.065 . . . . . . . . 146 ILE CD1 . 52412 1 991 . 1 . 1 146 146 ILE N N 15 124.134 . . . . . . . . 146 ILE N . 52412 1 992 . 1 . 1 147 147 PHE H H 1 8.426 . . . . . . . . 147 PHE H . 52412 1 993 . 1 . 1 147 147 PHE C C 13 175.442 . . . . . . . . 147 PHE C . 52412 1 994 . 1 . 1 147 147 PHE CA C 13 52.015 . . . . . . . . 147 PHE CA . 52412 1 995 . 1 . 1 147 147 PHE CB C 13 37.347 . . . . . . . . 147 PHE CB . 52412 1 996 . 1 . 1 147 147 PHE N N 15 126.087 . . . . . . . . 147 PHE N . 52412 1 997 . 1 . 1 148 148 LEU H H 1 8.127 . . . . . . . . 148 LEU H . 52412 1 998 . 1 . 1 148 148 LEU HD11 H 1 0.180 . . . . . . . . 148 LEU QD1 . 52412 1 999 . 1 . 1 148 148 LEU HD12 H 1 0.180 . . . . . . . . 148 LEU QD1 . 52412 1 1000 . 1 . 1 148 148 LEU HD13 H 1 0.180 . . . . . . . . 148 LEU QD1 . 52412 1 1001 . 1 . 1 148 148 LEU HD21 H 1 -0.189 . . . . . . . . 148 LEU QD2 . 52412 1 1002 . 1 . 1 148 148 LEU HD22 H 1 -0.189 . . . . . . . . 148 LEU QD2 . 52412 1 1003 . 1 . 1 148 148 LEU HD23 H 1 -0.189 . . . . . . . . 148 LEU QD2 . 52412 1 1004 . 1 . 1 148 148 LEU C C 13 177.334 . . . . . . . . 148 LEU C . 52412 1 1005 . 1 . 1 148 148 LEU CA C 13 52.689 . . . . . . . . 148 LEU CA . 52412 1 1006 . 1 . 1 148 148 LEU CB C 13 36.009 . . . . . . . . 148 LEU CB . 52412 1 1007 . 1 . 1 148 148 LEU CD1 C 13 18.423 . . . . . . . . 148 LEU CD1 . 52412 1 1008 . 1 . 1 148 148 LEU CD2 C 13 22.153 . . . . . . . . 148 LEU CD2 . 52412 1 1009 . 1 . 1 148 148 LEU N N 15 118.952 . . . . . . . . 148 LEU N . 52412 1 1010 . 1 . 1 149 149 ARG H H 1 8.240 . . . . . . . . 149 ARG H . 52412 1 1011 . 1 . 1 149 149 ARG HA H 1 4.498 . . . . . . . . 149 ARG HA . 52412 1 1012 . 1 . 1 149 149 ARG HB2 H 1 1.987 . . . . . . . . 149 ARG HB2 . 52412 1 1013 . 1 . 1 149 149 ARG HB3 H 1 1.572 . . . . . . . . 149 ARG HB3 . 52412 1 1014 . 1 . 1 149 149 ARG HG3 H 1 1.694 . . . . . . . . 149 ARG HG3 . 52412 1 1015 . 1 . 1 149 149 ARG HD3 H 1 3.144 . . . . . . . . 149 ARG HD3 . 52412 1 1016 . 1 . 1 149 149 ARG C C 13 174.019 . . . . . . . . 149 ARG C . 52412 1 1017 . 1 . 1 149 149 ARG CA C 13 51.523 . . . . . . . . 149 ARG CA . 52412 1 1018 . 1 . 1 149 149 ARG CB C 13 30.858 . . . . . . . . 149 ARG CB . 52412 1 1019 . 1 . 1 149 149 ARG CG C 13 23.618 . . . . . . . . 149 ARG CG . 52412 1 1020 . 1 . 1 149 149 ARG N N 15 123.335 . . . . . . . . 149 ARG N . 52412 1 1021 . 1 . 1 150 150 ASP H H 1 8.582 . . . . . . . . 150 ASP H . 52412 1 1022 . 1 . 1 150 150 ASP C C 13 177.894 . . . . . . . . 150 ASP C . 52412 1 1023 . 1 . 1 150 150 ASP CA C 13 52.806 . . . . . . . . 150 ASP CA . 52412 1 1024 . 1 . 1 150 150 ASP N N 15 121.276 . . . . . . . . 150 ASP N . 52412 1 1025 . 1 . 1 151 151 ILE HG12 H 1 0.886 . . . . . . . . 151 ILE HG12 . 52412 1 1026 . 1 . 1 151 151 ILE HG13 H 1 1.571 . . . . . . . . 151 ILE HG13 . 52412 1 1027 . 1 . 1 151 151 ILE HG21 H 1 0.801 . . . . . . . . 151 ILE QG2 . 52412 1 1028 . 1 . 1 151 151 ILE HG22 H 1 0.801 . . . . . . . . 151 ILE QG2 . 52412 1 1029 . 1 . 1 151 151 ILE HG23 H 1 0.801 . . . . . . . . 151 ILE QG2 . 52412 1 1030 . 1 . 1 151 151 ILE HD11 H 1 0.604 . . . . . . . . 151 ILE QD1 . 52412 1 1031 . 1 . 1 151 151 ILE HD12 H 1 0.604 . . . . . . . . 151 ILE QD1 . 52412 1 1032 . 1 . 1 151 151 ILE HD13 H 1 0.604 . . . . . . . . 151 ILE QD1 . 52412 1 1033 . 1 . 1 151 151 ILE C C 13 175.849 . . . . . . . . 151 ILE C . 52412 1 1034 . 1 . 1 151 151 ILE CA C 13 60.320 . . . . . . . . 151 ILE CA . 52412 1 1035 . 1 . 1 151 151 ILE CB C 13 36.058 . . . . . . . . 151 ILE CB . 52412 1 1036 . 1 . 1 151 151 ILE CG2 C 13 14.243 . . . . . . . . 151 ILE CG2 . 52412 1 1037 . 1 . 1 151 151 ILE CD1 C 13 11.496 . . . . . . . . 151 ILE CD1 . 52412 1 1038 . 1 . 1 152 152 GLU H H 1 8.840 . . . . . . . . 152 GLU H . 52412 1 1039 . 1 . 1 152 152 GLU HA H 1 4.465 . . . . . . . . 152 GLU HA . 52412 1 1040 . 1 . 1 152 152 GLU HB2 H 1 2.094 . . . . . . . . 152 GLU HB2 . 52412 1 1041 . 1 . 1 152 152 GLU HB3 H 1 2.218 . . . . . . . . 152 GLU HB3 . 52412 1 1042 . 1 . 1 152 152 GLU C C 13 176.330 . . . . . . . . 152 GLU C . 52412 1 1043 . 1 . 1 152 152 GLU CA C 13 52.801 . . . . . . . . 152 GLU CA . 52412 1 1044 . 1 . 1 152 152 GLU CB C 13 28.636 . . . . . . . . 152 GLU CB . 52412 1 1045 . 1 . 1 152 152 GLU CG C 13 33.991 . . . . . . . . 152 GLU CG . 52412 1 1046 . 1 . 1 152 152 GLU N N 15 125.456 . . . . . . . . 152 GLU N . 52412 1 1047 . 1 . 1 153 153 GLN H H 1 8.681 . . . . . . . . 153 GLN H . 52412 1 1048 . 1 . 1 153 153 GLN HA H 1 4.280 . . . . . . . . 153 GLN HA . 52412 1 1049 . 1 . 1 153 153 GLN HB2 H 1 1.891 . . . . . . . . 153 GLN HB2 . 52412 1 1050 . 1 . 1 153 153 GLN HB3 H 1 1.986 . . . . . . . . 153 GLN HB3 . 52412 1 1051 . 1 . 1 153 153 GLN HG2 H 1 2.288 . . . . . . . . 153 GLN HG2 . 52412 1 1052 . 1 . 1 153 153 GLN HG3 H 1 2.289 . . . . . . . . 153 GLN HG3 . 52412 1 1053 . 1 . 1 153 153 GLN C C 13 175.637 . . . . . . . . 153 GLN C . 52412 1 1054 . 1 . 1 153 153 GLN CA C 13 53.186 . . . . . . . . 153 GLN CA . 52412 1 1055 . 1 . 1 153 153 GLN CB C 13 26.076 . . . . . . . . 153 GLN CB . 52412 1 1056 . 1 . 1 153 153 GLN CG C 13 30.928 . . . . . . . . 153 GLN CG . 52412 1 1057 . 1 . 1 153 153 GLN N N 15 123.506 . . . . . . . . 153 GLN N . 52412 1 1058 . 1 . 1 154 154 VAL H H 1 8.278 . . . . . . . . 154 VAL H . 52412 1 1059 . 1 . 1 154 154 VAL HA H 1 4.336 . . . . . . . . 154 VAL HA . 52412 1 1060 . 1 . 1 154 154 VAL HG11 H 1 0.890 . . . . . . . . 154 VAL QG1 . 52412 1 1061 . 1 . 1 154 154 VAL HG12 H 1 0.890 . . . . . . . . 154 VAL QG1 . 52412 1 1062 . 1 . 1 154 154 VAL HG13 H 1 0.890 . . . . . . . . 154 VAL QG1 . 52412 1 1063 . 1 . 1 154 154 VAL HG21 H 1 0.853 . . . . . . . . 154 VAL QG2 . 52412 1 1064 . 1 . 1 154 154 VAL HG22 H 1 0.853 . . . . . . . . 154 VAL QG2 . 52412 1 1065 . 1 . 1 154 154 VAL HG23 H 1 0.853 . . . . . . . . 154 VAL QG2 . 52412 1 1066 . 1 . 1 154 154 VAL C C 13 174.407 . . . . . . . . 154 VAL C . 52412 1 1067 . 1 . 1 154 154 VAL CA C 13 57.188 . . . . . . . . 154 VAL CA . 52412 1 1068 . 1 . 1 154 154 VAL CB C 13 29.530 . . . . . . . . 154 VAL CB . 52412 1 1069 . 1 . 1 154 154 VAL CG1 C 13 17.969 . . . . . . . . 154 VAL CG1 . 52412 1 1070 . 1 . 1 154 154 VAL CG2 C 13 17.350 . . . . . . . . 154 VAL CG2 . 52412 1 1071 . 1 . 1 154 154 VAL N N 15 123.284 . . . . . . . . 154 VAL N . 52412 1 1072 . 1 . 1 155 155 PRO HA H 1 4.333 . . . . . . . . 155 PRO HA . 52412 1 1073 . 1 . 1 155 155 PRO HB2 H 1 1.796 . . . . . . . . 155 PRO HB2 . 52412 1 1074 . 1 . 1 155 155 PRO HB3 H 1 2.211 . . . . . . . . 155 PRO HB3 . 52412 1 1075 . 1 . 1 155 155 PRO HD2 H 1 3.571 . . . . . . . . 155 PRO HD2 . 52412 1 1076 . 1 . 1 155 155 PRO HD3 H 1 3.771 . . . . . . . . 155 PRO HD3 . 52412 1 1077 . 1 . 1 155 155 PRO C C 13 176.710 . . . . . . . . 155 PRO C . 52412 1 1078 . 1 . 1 155 155 PRO CA C 13 60.473 . . . . . . . . 155 PRO CA . 52412 1 1079 . 1 . 1 155 155 PRO CB C 13 29.056 . . . . . . . . 155 PRO CB . 52412 1 1080 . 1 . 1 155 155 PRO CG C 13 24.279 . . . . . . . . 155 PRO CG . 52412 1 1081 . 1 . 1 155 155 PRO CD C 13 48.182 . . . . . . . . 155 PRO CD . 52412 1 1082 . 1 . 1 156 156 GLN H H 1 8.414 . . . . . . . . 156 GLN H . 52412 1 1083 . 1 . 1 156 156 GLN HA H 1 4.193 . . . . . . . . 156 GLN HA . 52412 1 1084 . 1 . 1 156 156 GLN HB2 H 1 2.000 . . . . . . . . 156 GLN HB2 . 52412 1 1085 . 1 . 1 156 156 GLN HB3 H 1 1.894 . . . . . . . . 156 GLN HB3 . 52412 1 1086 . 1 . 1 156 156 GLN HG2 H 1 2.296 . . . . . . . . 156 GLN HG2 . 52412 1 1087 . 1 . 1 156 156 GLN HG3 H 1 2.308 . . . . . . . . 156 GLN HG3 . 52412 1 1088 . 1 . 1 156 156 GLN C C 13 175.854 . . . . . . . . 156 GLN C . 52412 1 1089 . 1 . 1 156 156 GLN CA C 13 52.998 . . . . . . . . 156 GLN CA . 52412 1 1090 . 1 . 1 156 156 GLN CB C 13 26.603 . . . . . . . . 156 GLN CB . 52412 1 1091 . 1 . 1 156 156 GLN CG C 13 31.141 . . . . . . . . 156 GLN CG . 52412 1 1092 . 1 . 1 156 156 GLN N N 15 120.669 . . . . . . . . 156 GLN N . 52412 1 1093 . 1 . 1 157 157 GLN H H 1 8.375 . . . . . . . . 157 GLN H . 52412 1 1094 . 1 . 1 157 157 GLN HA H 1 4.519 . . . . . . . . 157 GLN HA . 52412 1 1095 . 1 . 1 157 157 GLN HB2 H 1 1.980 . . . . . . . . 157 GLN HB2 . 52412 1 1096 . 1 . 1 157 157 GLN HB3 H 1 1.798 . . . . . . . . 157 GLN HB3 . 52412 1 1097 . 1 . 1 157 157 GLN HG3 H 1 2.259 . . . . . . . . 157 GLN HG3 . 52412 1 1098 . 1 . 1 157 157 GLN C C 13 173.808 . . . . . . . . 157 GLN C . 52412 1 1099 . 1 . 1 157 157 GLN CA C 13 50.925 . . . . . . . . 157 GLN CA . 52412 1 1100 . 1 . 1 157 157 GLN CB C 13 25.880 . . . . . . . . 157 GLN CB . 52412 1 1101 . 1 . 1 157 157 GLN CG C 13 30.488 . . . . . . . . 157 GLN CG . 52412 1 1102 . 1 . 1 157 157 GLN N N 15 122.653 . . . . . . . . 157 GLN N . 52412 1 1103 . 1 . 1 157 157 GLN NE2 N 15 111.893 . . . . . . . . 157 GLN NE2 . 52412 1 1104 . 1 . 1 158 158 PRO HA H 1 4.397 . . . . . . . . 158 PRO HA . 52412 1 1105 . 1 . 1 158 158 PRO HB2 H 1 1.561 . . . . . . . . 158 PRO HB2 . 52412 1 1106 . 1 . 1 158 158 PRO HB3 H 1 1.881 . . . . . . . . 158 PRO HB3 . 52412 1 1107 . 1 . 1 158 158 PRO HG2 H 1 1.545 . . . . . . . . 158 PRO HG2 . 52412 1 1108 . 1 . 1 158 158 PRO HG3 H 1 1.900 . . . . . . . . 158 PRO HG3 . 52412 1 1109 . 1 . 1 158 158 PRO HD2 H 1 3.560 . . . . . . . . 158 PRO HD2 . 52412 1 1110 . 1 . 1 158 158 PRO HD3 H 1 3.696 . . . . . . . . 158 PRO HD3 . 52412 1 1111 . 1 . 1 158 158 PRO C C 13 176.004 . . . . . . . . 158 PRO C . 52412 1 1112 . 1 . 1 158 158 PRO CA C 13 60.349 . . . . . . . . 158 PRO CA . 52412 1 1113 . 1 . 1 158 158 PRO CB C 13 29.014 . . . . . . . . 158 PRO CB . 52412 1 1114 . 1 . 1 158 158 PRO CD C 13 47.931 . . . . . . . . 158 PRO CD . 52412 1 1115 . 1 . 1 159 159 THR H H 1 8.491 . . . . . . . . 159 THR H . 52412 1 1116 . 1 . 1 159 159 THR HA H 1 4.461 . . . . . . . . 159 THR HA . 52412 1 1117 . 1 . 1 159 159 THR HB H 1 4.051 . . . . . . . . 159 THR HB . 52412 1 1118 . 1 . 1 159 159 THR C C 13 173.271 . . . . . . . . 159 THR C . 52412 1 1119 . 1 . 1 159 159 THR CA C 13 59.701 . . . . . . . . 159 THR CA . 52412 1 1120 . 1 . 1 159 159 THR CB C 13 67.357 . . . . . . . . 159 THR CB . 52412 1 1121 . 1 . 1 159 159 THR CG2 C 13 23.825 . . . . . . . . 159 THR CG2 . 52412 1 1122 . 1 . 1 159 159 THR N N 15 116.363 . . . . . . . . 159 THR N . 52412 1 1123 . 1 . 1 160 160 TYR H H 1 8.719 . . . . . . . . 160 TYR H . 52412 1 1124 . 1 . 1 160 160 TYR HA H 1 5.539 . . . . . . . . 160 TYR HA . 52412 1 1125 . 1 . 1 160 160 TYR HB2 H 1 2.766 . . . . . . . . 160 TYR HB2 . 52412 1 1126 . 1 . 1 160 160 TYR HB3 H 1 2.707 . . . . . . . . 160 TYR HB3 . 52412 1 1127 . 1 . 1 160 160 TYR C C 13 175.665 . . . . . . . . 160 TYR C . 52412 1 1128 . 1 . 1 160 160 TYR CA C 13 54.499 . . . . . . . . 160 TYR CA . 52412 1 1129 . 1 . 1 160 160 TYR CB C 13 39.212 . . . . . . . . 160 TYR CB . 52412 1 1130 . 1 . 1 160 160 TYR N N 15 122.812 . . . . . . . . 160 TYR N . 52412 1 1131 . 1 . 1 161 161 VAL H H 1 8.754 . . . . . . . . 161 VAL H . 52412 1 1132 . 1 . 1 161 161 VAL HA H 1 4.958 . . . . . . . . 161 VAL HA . 52412 1 1133 . 1 . 1 161 161 VAL HB H 1 1.699 . . . . . . . . 161 VAL HB . 52412 1 1134 . 1 . 1 161 161 VAL HG11 H 1 0.617 . . . . . . . . 161 VAL QG1 . 52412 1 1135 . 1 . 1 161 161 VAL HG12 H 1 0.617 . . . . . . . . 161 VAL QG1 . 52412 1 1136 . 1 . 1 161 161 VAL HG13 H 1 0.617 . . . . . . . . 161 VAL QG1 . 52412 1 1137 . 1 . 1 161 161 VAL HG21 H 1 0.930 . . . . . . . . 161 VAL QG2 . 52412 1 1138 . 1 . 1 161 161 VAL HG22 H 1 0.930 . . . . . . . . 161 VAL QG2 . 52412 1 1139 . 1 . 1 161 161 VAL HG23 H 1 0.930 . . . . . . . . 161 VAL QG2 . 52412 1 1140 . 1 . 1 161 161 VAL CA C 13 55.786 . . . . . . . . 161 VAL CA . 52412 1 1141 . 1 . 1 161 161 VAL CB C 13 32.542 . . . . . . . . 161 VAL CB . 52412 1 1142 . 1 . 1 161 161 VAL CG1 C 13 16.392 . . . . . . . . 161 VAL CG1 . 52412 1 1143 . 1 . 1 161 161 VAL CG2 C 13 19.055 . . . . . . . . 161 VAL CG2 . 52412 1 1144 . 1 . 1 161 161 VAL N N 15 112.132 . . . . . . . . 161 VAL N . 52412 1 1145 . 1 . 1 162 162 GLN H H 1 9.081 . . . . . . . . 162 GLN H . 52412 1 1146 . 1 . 1 162 162 GLN HA H 1 4.950 . . . . . . . . 162 GLN HA . 52412 1 1147 . 1 . 1 162 162 GLN HB2 H 1 1.619 . . . . . . . . 162 GLN HB2 . 52412 1 1148 . 1 . 1 162 162 GLN HB3 H 1 1.253 . . . . . . . . 162 GLN HB3 . 52412 1 1149 . 1 . 1 162 162 GLN HG3 H 1 1.616 . . . . . . . . 162 GLN HG3 . 52412 1 1150 . 1 . 1 162 162 GLN HE21 H 1 6.605 . . . . . . . . 162 GLN HE21 . 52412 1 1151 . 1 . 1 162 162 GLN HE22 H 1 6.961 . . . . . . . . 162 GLN HE22 . 52412 1 1152 . 1 . 1 162 162 GLN C C 13 175.346 . . . . . . . . 162 GLN C . 52412 1 1153 . 1 . 1 162 162 GLN CA C 13 50.307 . . . . . . . . 162 GLN CA . 52412 1 1154 . 1 . 1 162 162 GLN CB C 13 28.585 . . . . . . . . 162 GLN CB . 52412 1 1155 . 1 . 1 162 162 GLN CG C 13 30.585 . . . . . . . . 162 GLN CG . 52412 1 1156 . 1 . 1 162 162 GLN N N 15 120.644 . . . . . . . . 162 GLN N . 52412 1 1157 . 1 . 1 162 162 GLN NE2 N 15 111.977 . . . . . . . . 162 GLN NE2 . 52412 1 1158 . 1 . 1 163 163 ALA H H 1 8.665 . . . . . . . . 163 ALA H . 52412 1 1159 . 1 . 1 163 163 ALA HA H 1 4.108 . . . . . . . . 163 ALA HA . 52412 1 1160 . 1 . 1 163 163 ALA HB1 H 1 1.280 . . . . . . . . 163 ALA HB# . 52412 1 1161 . 1 . 1 163 163 ALA HB2 H 1 1.280 . . . . . . . . 163 ALA HB# . 52412 1 1162 . 1 . 1 163 163 ALA HB3 H 1 1.280 . . . . . . . . 163 ALA HB# . 52412 1 1163 . 1 . 1 163 163 ALA C C 13 178.944 . . . . . . . . 163 ALA C . 52412 1 1164 . 1 . 1 163 163 ALA CA C 13 50.072 . . . . . . . . 163 ALA CA . 52412 1 1165 . 1 . 1 163 163 ALA CB C 13 17.982 . . . . . . . . 163 ALA CB . 52412 1 1166 . 1 . 1 163 163 ALA N N 15 127.095 . . . . . . . . 163 ALA N . 52412 1 1167 . 1 . 1 164 164 LEU H H 1 9.434 . . . . . . . . 164 LEU H . 52412 1 1168 . 1 . 1 164 164 LEU HA H 1 3.820 . . . . . . . . 164 LEU HA . 52412 1 1169 . 1 . 1 164 164 LEU HB2 H 1 0.960 . . . . . . . . 164 LEU HB2 . 52412 1 1170 . 1 . 1 164 164 LEU HB3 H 1 0.987 . . . . . . . . 164 LEU HB3 . 52412 1 1171 . 1 . 1 164 164 LEU HG H 1 1.106 . . . . . . . . 164 LEU HG . 52412 1 1172 . 1 . 1 164 164 LEU HD11 H 1 0.513 . . . . . . . . 164 LEU QD1 . 52412 1 1173 . 1 . 1 164 164 LEU HD12 H 1 0.513 . . . . . . . . 164 LEU QD1 . 52412 1 1174 . 1 . 1 164 164 LEU HD13 H 1 0.513 . . . . . . . . 164 LEU QD1 . 52412 1 1175 . 1 . 1 164 164 LEU HD21 H 1 0.550 . . . . . . . . 164 LEU QD2 . 52412 1 1176 . 1 . 1 164 164 LEU HD22 H 1 0.550 . . . . . . . . 164 LEU QD2 . 52412 1 1177 . 1 . 1 164 164 LEU HD23 H 1 0.550 . . . . . . . . 164 LEU QD2 . 52412 1 1178 . 1 . 1 164 164 LEU C C 13 174.980 . . . . . . . . 164 LEU C . 52412 1 1179 . 1 . 1 164 164 LEU CA C 13 52.616 . . . . . . . . 164 LEU CA . 52412 1 1180 . 1 . 1 164 164 LEU CB C 13 40.898 . . . . . . . . 164 LEU CB . 52412 1 1181 . 1 . 1 164 164 LEU CD1 C 13 19.155 . . . . . . . . 164 LEU CD1 . 52412 1 1182 . 1 . 1 164 164 LEU CD2 C 13 22.511 . . . . . . . . 164 LEU CD2 . 52412 1 1183 . 1 . 1 164 164 LEU N N 15 126.385 . . . . . . . . 164 LEU N . 52412 1 1184 . 1 . 1 165 165 PHE H H 1 7.164 . . . . . . . . 165 PHE H . 52412 1 1185 . 1 . 1 165 165 PHE HA H 1 4.700 . . . . . . . . 165 PHE HA . 52412 1 1186 . 1 . 1 165 165 PHE HB2 H 1 2.406 . . . . . . . . 165 PHE HB2 . 52412 1 1187 . 1 . 1 165 165 PHE HB3 H 1 3.215 . . . . . . . . 165 PHE HB3 . 52412 1 1188 . 1 . 1 165 165 PHE C C 13 173.379 . . . . . . . . 165 PHE C . 52412 1 1189 . 1 . 1 165 165 PHE CA C 13 51.940 . . . . . . . . 165 PHE CA . 52412 1 1190 . 1 . 1 165 165 PHE CB C 13 41.008 . . . . . . . . 165 PHE CB . 52412 1 1191 . 1 . 1 165 165 PHE N N 15 112.781 . . . . . . . . 165 PHE N . 52412 1 1192 . 1 . 1 166 166 ASP H H 1 8.414 . . . . . . . . 166 ASP H . 52412 1 1193 . 1 . 1 166 166 ASP HA H 1 4.581 . . . . . . . . 166 ASP HA . 52412 1 1194 . 1 . 1 166 166 ASP HB2 H 1 2.556 . . . . . . . . 166 ASP QB . 52412 1 1195 . 1 . 1 166 166 ASP HB3 H 1 2.556 . . . . . . . . 166 ASP QB . 52412 1 1196 . 1 . 1 166 166 ASP C C 13 175.502 . . . . . . . . 166 ASP C . 52412 1 1197 . 1 . 1 166 166 ASP CA C 13 52.250 . . . . . . . . 166 ASP CA . 52412 1 1198 . 1 . 1 166 166 ASP CB C 13 38.457 . . . . . . . . 166 ASP CB . 52412 1 1199 . 1 . 1 166 166 ASP N N 15 118.315 . . . . . . . . 166 ASP N . 52412 1 1200 . 1 . 1 167 167 PHE H H 1 8.313 . . . . . . . . 167 PHE H . 52412 1 1201 . 1 . 1 167 167 PHE HA H 1 4.702 . . . . . . . . 167 PHE HA . 52412 1 1202 . 1 . 1 167 167 PHE HB2 H 1 2.446 . . . . . . . . 167 PHE HB2 . 52412 1 1203 . 1 . 1 167 167 PHE HB3 H 1 2.403 . . . . . . . . 167 PHE HB3 . 52412 1 1204 . 1 . 1 167 167 PHE C C 13 172.744 . . . . . . . . 167 PHE C . 52412 1 1205 . 1 . 1 167 167 PHE CA C 13 54.352 . . . . . . . . 167 PHE CA . 52412 1 1206 . 1 . 1 167 167 PHE CB C 13 39.450 . . . . . . . . 167 PHE CB . 52412 1 1207 . 1 . 1 167 167 PHE N N 15 121.516 . . . . . . . . 167 PHE N . 52412 1 1208 . 1 . 1 168 168 ASP H H 1 7.595 . . . . . . . . 168 ASP H . 52412 1 1209 . 1 . 1 168 168 ASP HA H 1 4.854 . . . . . . . . 168 ASP HA . 52412 1 1210 . 1 . 1 168 168 ASP HB2 H 1 2.157 . . . . . . . . 168 ASP HB2 . 52412 1 1211 . 1 . 1 168 168 ASP HB3 H 1 2.310 . . . . . . . . 168 ASP HB3 . 52412 1 1212 . 1 . 1 168 168 ASP C C 13 172.167 . . . . . . . . 168 ASP C . 52412 1 1213 . 1 . 1 168 168 ASP CA C 13 47.468 . . . . . . . . 168 ASP CA . 52412 1 1214 . 1 . 1 168 168 ASP CB C 13 38.452 . . . . . . . . 168 ASP CB . 52412 1 1215 . 1 . 1 168 168 ASP N N 15 127.977 . . . . . . . . 168 ASP N . 52412 1 1216 . 1 . 1 169 169 PRO HA H 1 3.870 . . . . . . . . 169 PRO HA . 52412 1 1217 . 1 . 1 169 169 PRO HB2 H 1 1.825 . . . . . . . . 169 PRO HB2 . 52412 1 1218 . 1 . 1 169 169 PRO HB3 H 1 1.902 . . . . . . . . 169 PRO HB3 . 52412 1 1219 . 1 . 1 169 169 PRO HG2 H 1 1.616 . . . . . . . . 169 PRO HG2 . 52412 1 1220 . 1 . 1 169 169 PRO HG3 H 1 1.624 . . . . . . . . 169 PRO HG3 . 52412 1 1221 . 1 . 1 169 169 PRO C C 13 176.730 . . . . . . . . 169 PRO C . 52412 1 1222 . 1 . 1 169 169 PRO CA C 13 59.910 . . . . . . . . 169 PRO CA . 52412 1 1223 . 1 . 1 169 169 PRO CB C 13 30.343 . . . . . . . . 169 PRO CB . 52412 1 1224 . 1 . 1 169 169 PRO CG C 13 24.269 . . . . . . . . 169 PRO CG . 52412 1 1225 . 1 . 1 170 170 GLN H H 1 8.835 . . . . . . . . 170 GLN H . 52412 1 1226 . 1 . 1 170 170 GLN HA H 1 4.249 . . . . . . . . 170 GLN HA . 52412 1 1227 . 1 . 1 170 170 GLN HB2 H 1 1.903 . . . . . . . . 170 GLN HB2 . 52412 1 1228 . 1 . 1 170 170 GLN HB3 H 1 2.098 . . . . . . . . 170 GLN HB3 . 52412 1 1229 . 1 . 1 170 170 GLN HG2 H 1 2.253 . . . . . . . . 170 GLN HG2 . 52412 1 1230 . 1 . 1 170 170 GLN HG3 H 1 2.261 . . . . . . . . 170 GLN HG3 . 52412 1 1231 . 1 . 1 170 170 GLN C C 13 175.281 . . . . . . . . 170 GLN C . 52412 1 1232 . 1 . 1 170 170 GLN CA C 13 53.012 . . . . . . . . 170 GLN CA . 52412 1 1233 . 1 . 1 170 170 GLN CB C 13 28.365 . . . . . . . . 170 GLN CB . 52412 1 1234 . 1 . 1 170 170 GLN CG C 13 31.425 . . . . . . . . 170 GLN CG . 52412 1 1235 . 1 . 1 170 170 GLN N N 15 119.997 . . . . . . . . 170 GLN N . 52412 1 1236 . 1 . 1 171 171 GLU H H 1 7.305 . . . . . . . . 171 GLU H . 52412 1 1237 . 1 . 1 171 171 GLU HB2 H 1 1.547 . . . . . . . . 171 GLU QB . 52412 1 1238 . 1 . 1 171 171 GLU HB3 H 1 1.547 . . . . . . . . 171 GLU QB . 52412 1 1239 . 1 . 1 171 171 GLU HG2 H 1 2.018 . . . . . . . . 171 GLU HG2 . 52412 1 1240 . 1 . 1 171 171 GLU HG3 H 1 2.025 . . . . . . . . 171 GLU HG3 . 52412 1 1241 . 1 . 1 171 171 GLU C C 13 175.934 . . . . . . . . 171 GLU C . 52412 1 1242 . 1 . 1 171 171 GLU CA C 13 51.218 . . . . . . . . 171 GLU CA . 52412 1 1243 . 1 . 1 171 171 GLU CB C 13 29.339 . . . . . . . . 171 GLU CB . 52412 1 1244 . 1 . 1 171 171 GLU CG C 13 32.601 . . . . . . . . 171 GLU CG . 52412 1 1245 . 1 . 1 171 171 GLU N N 15 116.593 . . . . . . . . 171 GLU N . 52412 1 1246 . 1 . 1 172 172 ASP H H 1 8.580 . . . . . . . . 172 ASP H . 52412 1 1247 . 1 . 1 172 172 ASP HA H 1 4.343 . . . . . . . . 172 ASP HA . 52412 1 1248 . 1 . 1 172 172 ASP HB2 H 1 2.524 . . . . . . . . 172 ASP HB2 . 52412 1 1249 . 1 . 1 172 172 ASP HB3 H 1 2.532 . . . . . . . . 172 ASP HB3 . 52412 1 1250 . 1 . 1 172 172 ASP C C 13 177.171 . . . . . . . . 172 ASP C . 52412 1 1251 . 1 . 1 172 172 ASP CA C 13 53.430 . . . . . . . . 172 ASP CA . 52412 1 1252 . 1 . 1 172 172 ASP CB C 13 37.920 . . . . . . . . 172 ASP CB . 52412 1 1253 . 1 . 1 172 172 ASP N N 15 121.156 . . . . . . . . 172 ASP N . 52412 1 1254 . 1 . 1 173 173 GLY H H 1 8.704 . . . . . . . . 173 GLY H . 52412 1 1255 . 1 . 1 173 173 GLY HA2 H 1 4.163 . . . . . . . . 173 GLY HA2 . 52412 1 1256 . 1 . 1 173 173 GLY HA3 H 1 3.916 . . . . . . . . 173 GLY HA3 . 52412 1 1257 . 1 . 1 173 173 GLY C C 13 175.206 . . . . . . . . 173 GLY C . 52412 1 1258 . 1 . 1 173 173 GLY CA C 13 42.417 . . . . . . . . 173 GLY CA . 52412 1 1259 . 1 . 1 173 173 GLY N N 15 110.470 . . . . . . . . 173 GLY N . 52412 1 1260 . 1 . 1 174 174 GLU H H 1 7.528 . . . . . . . . 174 GLU H . 52412 1 1261 . 1 . 1 174 174 GLU HA H 1 5.055 . . . . . . . . 174 GLU HA . 52412 1 1262 . 1 . 1 174 174 GLU HB2 H 1 2.200 . . . . . . . . 174 GLU HB2 . 52412 1 1263 . 1 . 1 174 174 GLU HB3 H 1 2.206 . . . . . . . . 174 GLU HB3 . 52412 1 1264 . 1 . 1 174 174 GLU C C 13 175.103 . . . . . . . . 174 GLU C . 52412 1 1265 . 1 . 1 174 174 GLU CA C 13 53.228 . . . . . . . . 174 GLU CA . 52412 1 1266 . 1 . 1 174 174 GLU CB C 13 28.344 . . . . . . . . 174 GLU CB . 52412 1 1267 . 1 . 1 174 174 GLU CG C 13 34.639 . . . . . . . . 174 GLU CG . 52412 1 1268 . 1 . 1 174 174 GLU N N 15 120.091 . . . . . . . . 174 GLU N . 52412 1 1269 . 1 . 1 175 175 LEU H H 1 9.152 . . . . . . . . 175 LEU H . 52412 1 1270 . 1 . 1 175 175 LEU HA H 1 4.396 . . . . . . . . 175 LEU HA . 52412 1 1271 . 1 . 1 175 175 LEU HG H 1 1.713 . . . . . . . . 175 LEU HG . 52412 1 1272 . 1 . 1 175 175 LEU HD11 H 1 0.886 . . . . . . . . 175 LEU QD1 . 52412 1 1273 . 1 . 1 175 175 LEU HD12 H 1 0.886 . . . . . . . . 175 LEU QD1 . 52412 1 1274 . 1 . 1 175 175 LEU HD13 H 1 0.886 . . . . . . . . 175 LEU QD1 . 52412 1 1275 . 1 . 1 175 175 LEU HD21 H 1 0.690 . . . . . . . . 175 LEU QD2 . 52412 1 1276 . 1 . 1 175 175 LEU HD22 H 1 0.690 . . . . . . . . 175 LEU QD2 . 52412 1 1277 . 1 . 1 175 175 LEU HD23 H 1 0.690 . . . . . . . . 175 LEU QD2 . 52412 1 1278 . 1 . 1 175 175 LEU C C 13 173.354 . . . . . . . . 175 LEU C . 52412 1 1279 . 1 . 1 175 175 LEU CA C 13 51.031 . . . . . . . . 175 LEU CA . 52412 1 1280 . 1 . 1 175 175 LEU CB C 13 42.324 . . . . . . . . 175 LEU CB . 52412 1 1281 . 1 . 1 175 175 LEU CD1 C 13 21.134 . . . . . . . . 175 LEU CD1 . 52412 1 1282 . 1 . 1 175 175 LEU CD2 C 13 23.145 . . . . . . . . 175 LEU CD2 . 52412 1 1283 . 1 . 1 175 175 LEU N N 15 126.996 . . . . . . . . 175 LEU N . 52412 1 1284 . 1 . 1 176 176 GLY H H 1 8.175 . . . . . . . . 176 GLY H . 52412 1 1285 . 1 . 1 176 176 GLY HA2 H 1 4.290 . . . . . . . . 176 GLY HA2 . 52412 1 1286 . 1 . 1 176 176 GLY HA3 H 1 3.530 . . . . . . . . 176 GLY HA3 . 52412 1 1287 . 1 . 1 176 176 GLY C C 13 173.724 . . . . . . . . 176 GLY C . 52412 1 1288 . 1 . 1 176 176 GLY CA C 13 41.937 . . . . . . . . 176 GLY CA . 52412 1 1289 . 1 . 1 176 176 GLY N N 15 108.418 . . . . . . . . 176 GLY N . 52412 1 1290 . 1 . 1 177 177 PHE H H 1 7.998 . . . . . . . . 177 PHE H . 52412 1 1291 . 1 . 1 177 177 PHE HA H 1 4.817 . . . . . . . . 177 PHE HA . 52412 1 1292 . 1 . 1 177 177 PHE HB2 H 1 3.334 . . . . . . . . 177 PHE HB2 . 52412 1 1293 . 1 . 1 177 177 PHE HB3 H 1 3.339 . . . . . . . . 177 PHE HB3 . 52412 1 1294 . 1 . 1 177 177 PHE C C 13 174.555 . . . . . . . . 177 PHE C . 52412 1 1295 . 1 . 1 177 177 PHE CA C 13 53.896 . . . . . . . . 177 PHE CA . 52412 1 1296 . 1 . 1 177 177 PHE CB C 13 36.627 . . . . . . . . 177 PHE CB . 52412 1 1297 . 1 . 1 177 177 PHE N N 15 112.985 . . . . . . . . 177 PHE N . 52412 1 1298 . 1 . 1 178 178 ARG H H 1 9.269 . . . . . . . . 178 ARG H . 52412 1 1299 . 1 . 1 178 178 ARG HA H 1 4.985 . . . . . . . . 178 ARG HA . 52412 1 1300 . 1 . 1 178 178 ARG HB2 H 1 1.775 . . . . . . . . 178 ARG HB2 . 52412 1 1301 . 1 . 1 178 178 ARG HB3 H 1 1.788 . . . . . . . . 178 ARG HB3 . 52412 1 1302 . 1 . 1 178 178 ARG HG2 H 1 1.537 . . . . . . . . 178 ARG HG2 . 52412 1 1303 . 1 . 1 178 178 ARG HG3 H 1 1.561 . . . . . . . . 178 ARG HG3 . 52412 1 1304 . 1 . 1 178 178 ARG HD3 H 1 3.080 . . . . . . . . 178 ARG HD3 . 52412 1 1305 . 1 . 1 178 178 ARG C C 13 175.688 . . . . . . . . 178 ARG C . 52412 1 1306 . 1 . 1 178 178 ARG CA C 13 50.267 . . . . . . . . 178 ARG CA . 52412 1 1307 . 1 . 1 178 178 ARG CB C 13 30.014 . . . . . . . . 178 ARG CB . 52412 1 1308 . 1 . 1 178 178 ARG CG C 13 23.763 . . . . . . . . 178 ARG CG . 52412 1 1309 . 1 . 1 178 178 ARG N N 15 120.446 . . . . . . . . 178 ARG N . 52412 1 1310 . 1 . 1 179 179 ARG H H 1 9.118 . . . . . . . . 179 ARG H . 52412 1 1311 . 1 . 1 179 179 ARG HA H 1 3.139 . . . . . . . . 179 ARG HA . 52412 1 1312 . 1 . 1 179 179 ARG HB2 H 1 1.566 . . . . . . . . 179 ARG HB2 . 52412 1 1313 . 1 . 1 179 179 ARG HB3 H 1 1.362 . . . . . . . . 179 ARG HB3 . 52412 1 1314 . 1 . 1 179 179 ARG HG2 H 1 1.202 . . . . . . . . 179 ARG HG2 . 52412 1 1315 . 1 . 1 179 179 ARG HG3 H 1 1.325 . . . . . . . . 179 ARG HG3 . 52412 1 1316 . 1 . 1 179 179 ARG HD3 H 1 3.138 . . . . . . . . 179 ARG HD3 . 52412 1 1317 . 1 . 1 179 179 ARG C C 13 176.252 . . . . . . . . 179 ARG C . 52412 1 1318 . 1 . 1 179 179 ARG CA C 13 55.708 . . . . . . . . 179 ARG CA . 52412 1 1319 . 1 . 1 179 179 ARG CB C 13 26.757 . . . . . . . . 179 ARG CB . 52412 1 1320 . 1 . 1 179 179 ARG CG C 13 23.633 . . . . . . . . 179 ARG CG . 52412 1 1321 . 1 . 1 179 179 ARG N N 15 120.671 . . . . . . . . 179 ARG N . 52412 1 1322 . 1 . 1 180 180 GLY H H 1 8.548 . . . . . . . . 180 GLY H . 52412 1 1323 . 1 . 1 180 180 GLY HA2 H 1 4.329 . . . . . . . . 180 GLY HA2 . 52412 1 1324 . 1 . 1 180 180 GLY HA3 H 1 3.273 . . . . . . . . 180 GLY HA3 . 52412 1 1325 . 1 . 1 180 180 GLY C C 13 174.427 . . . . . . . . 180 GLY C . 52412 1 1326 . 1 . 1 180 180 GLY CA C 13 41.647 . . . . . . . . 180 GLY CA . 52412 1 1327 . 1 . 1 180 180 GLY N N 15 115.001 . . . . . . . . 180 GLY N . 52412 1 1328 . 1 . 1 181 181 ASP H H 1 8.291 . . . . . . . . 181 ASP H . 52412 1 1329 . 1 . 1 181 181 ASP HA H 1 4.404 . . . . . . . . 181 ASP HA . 52412 1 1330 . 1 . 1 181 181 ASP HB2 H 1 2.799 . . . . . . . . 181 ASP HB2 . 52412 1 1331 . 1 . 1 181 181 ASP HB3 H 1 2.458 . . . . . . . . 181 ASP HB3 . 52412 1 1332 . 1 . 1 181 181 ASP C C 13 175.341 . . . . . . . . 181 ASP C . 52412 1 1333 . 1 . 1 181 181 ASP CA C 13 52.685 . . . . . . . . 181 ASP CA . 52412 1 1334 . 1 . 1 181 181 ASP CB C 13 38.507 . . . . . . . . 181 ASP CB . 52412 1 1335 . 1 . 1 181 181 ASP N N 15 122.299 . . . . . . . . 181 ASP N . 52412 1 1336 . 1 . 1 182 182 PHE H H 1 8.452 . . . . . . . . 182 PHE H . 52412 1 1337 . 1 . 1 182 182 PHE HA H 1 5.151 . . . . . . . . 182 PHE HA . 52412 1 1338 . 1 . 1 182 182 PHE HB2 H 1 2.837 . . . . . . . . 182 PHE HB2 . 52412 1 1339 . 1 . 1 182 182 PHE HB3 H 1 2.656 . . . . . . . . 182 PHE HB3 . 52412 1 1340 . 1 . 1 182 182 PHE C C 13 176.025 . . . . . . . . 182 PHE C . 52412 1 1341 . 1 . 1 182 182 PHE CA C 13 54.793 . . . . . . . . 182 PHE CA . 52412 1 1342 . 1 . 1 182 182 PHE CB C 13 37.422 . . . . . . . . 182 PHE CB . 52412 1 1343 . 1 . 1 182 182 PHE N N 15 117.893 . . . . . . . . 182 PHE N . 52412 1 1344 . 1 . 1 183 183 ILE H H 1 9.004 . . . . . . . . 183 ILE H . 52412 1 1345 . 1 . 1 183 183 ILE HA H 1 4.237 . . . . . . . . 183 ILE HA . 52412 1 1346 . 1 . 1 183 183 ILE HB H 1 1.067 . . . . . . . . 183 ILE HB . 52412 1 1347 . 1 . 1 183 183 ILE HG12 H 1 0.183 . . . . . . . . 183 ILE HG12 . 52412 1 1348 . 1 . 1 183 183 ILE HG13 H 1 0.658 . . . . . . . . 183 ILE HG13 . 52412 1 1349 . 1 . 1 183 183 ILE HG21 H 1 0.218 . . . . . . . . 183 ILE QG2 . 52412 1 1350 . 1 . 1 183 183 ILE HG22 H 1 0.218 . . . . . . . . 183 ILE QG2 . 52412 1 1351 . 1 . 1 183 183 ILE HG23 H 1 0.218 . . . . . . . . 183 ILE QG2 . 52412 1 1352 . 1 . 1 183 183 ILE HD11 H 1 -0.677 . . . . . . . . 183 ILE QD1 . 52412 1 1353 . 1 . 1 183 183 ILE HD12 H 1 -0.677 . . . . . . . . 183 ILE QD1 . 52412 1 1354 . 1 . 1 183 183 ILE HD13 H 1 -0.677 . . . . . . . . 183 ILE QD1 . 52412 1 1355 . 1 . 1 183 183 ILE C C 13 174.845 . . . . . . . . 183 ILE C . 52412 1 1356 . 1 . 1 183 183 ILE CA C 13 57.791 . . . . . . . . 183 ILE CA . 52412 1 1357 . 1 . 1 183 183 ILE CB C 13 38.242 . . . . . . . . 183 ILE CB . 52412 1 1358 . 1 . 1 183 183 ILE CG1 C 13 24.673 . . . . . . . . 183 ILE CG1 . 52412 1 1359 . 1 . 1 183 183 ILE CG2 C 13 15.559 . . . . . . . . 183 ILE CG2 . 52412 1 1360 . 1 . 1 183 183 ILE CD1 C 13 10.982 . . . . . . . . 183 ILE CD1 . 52412 1 1361 . 1 . 1 183 183 ILE N N 15 123.504 . . . . . . . . 183 ILE N . 52412 1 1362 . 1 . 1 184 184 HIS H H 1 8.524 . . . . . . . . 184 HIS H . 52412 1 1363 . 1 . 1 184 184 HIS HA H 1 4.465 . . . . . . . . 184 HIS HA . 52412 1 1364 . 1 . 1 184 184 HIS HB2 H 1 3.162 . . . . . . . . 184 HIS HB2 . 52412 1 1365 . 1 . 1 184 184 HIS HB3 H 1 3.017 . . . . . . . . 184 HIS HB3 . 52412 1 1366 . 1 . 1 184 184 HIS C C 13 174.966 . . . . . . . . 184 HIS C . 52412 1 1367 . 1 . 1 184 184 HIS CA C 13 51.535 . . . . . . . . 184 HIS CA . 52412 1 1368 . 1 . 1 184 184 HIS CB C 13 28.875 . . . . . . . . 184 HIS CB . 52412 1 1369 . 1 . 1 184 184 HIS N N 15 127.455 . . . . . . . . 184 HIS N . 52412 1 1370 . 1 . 1 185 185 VAL H H 1 8.734 . . . . . . . . 185 VAL H . 52412 1 1371 . 1 . 1 185 185 VAL HA H 1 3.857 . . . . . . . . 185 VAL HA . 52412 1 1372 . 1 . 1 185 185 VAL HB H 1 1.900 . . . . . . . . 185 VAL HB . 52412 1 1373 . 1 . 1 185 185 VAL HG11 H 1 0.585 . . . . . . . . 185 VAL QG1 . 52412 1 1374 . 1 . 1 185 185 VAL HG12 H 1 0.585 . . . . . . . . 185 VAL QG1 . 52412 1 1375 . 1 . 1 185 185 VAL HG13 H 1 0.585 . . . . . . . . 185 VAL QG1 . 52412 1 1376 . 1 . 1 185 185 VAL HG21 H 1 1.101 . . . . . . . . 185 VAL QG2 . 52412 1 1377 . 1 . 1 185 185 VAL HG22 H 1 1.101 . . . . . . . . 185 VAL QG2 . 52412 1 1378 . 1 . 1 185 185 VAL HG23 H 1 1.101 . . . . . . . . 185 VAL QG2 . 52412 1 1379 . 1 . 1 185 185 VAL C C 13 174.366 . . . . . . . . 185 VAL C . 52412 1 1380 . 1 . 1 185 185 VAL CA C 13 62.055 . . . . . . . . 185 VAL CA . 52412 1 1381 . 1 . 1 185 185 VAL CB C 13 28.849 . . . . . . . . 185 VAL CB . 52412 1 1382 . 1 . 1 185 185 VAL CG1 C 13 18.816 . . . . . . . . 185 VAL CG1 . 52412 1 1383 . 1 . 1 185 185 VAL CG2 C 13 21.357 . . . . . . . . 185 VAL CG2 . 52412 1 1384 . 1 . 1 185 185 VAL N N 15 128.713 . . . . . . . . 185 VAL N . 52412 1 1385 . 1 . 1 186 186 MET H H 1 9.098 . . . . . . . . 186 MET H . 52412 1 1386 . 1 . 1 186 186 MET HA H 1 4.287 . . . . . . . . 186 MET HA . 52412 1 1387 . 1 . 1 186 186 MET HB2 H 1 2.135 . . . . . . . . 186 MET HB2 . 52412 1 1388 . 1 . 1 186 186 MET HB3 H 1 2.149 . . . . . . . . 186 MET HB3 . 52412 1 1389 . 1 . 1 186 186 MET C C 13 175.712 . . . . . . . . 186 MET C . 52412 1 1390 . 1 . 1 186 186 MET CA C 13 53.410 . . . . . . . . 186 MET CA . 52412 1 1391 . 1 . 1 186 186 MET CB C 13 32.208 . . . . . . . . 186 MET CB . 52412 1 1392 . 1 . 1 186 186 MET CG C 13 28.804 . . . . . . . . 186 MET CG . 52412 1 1393 . 1 . 1 186 186 MET N N 15 125.949 . . . . . . . . 186 MET N . 52412 1 1394 . 1 . 1 187 187 ASP H H 1 7.488 . . . . . . . . 187 ASP H . 52412 1 1395 . 1 . 1 187 187 ASP HA H 1 4.586 . . . . . . . . 187 ASP HA . 52412 1 1396 . 1 . 1 187 187 ASP HB2 H 1 2.533 . . . . . . . . 187 ASP HB2 . 52412 1 1397 . 1 . 1 187 187 ASP HB3 H 1 2.541 . . . . . . . . 187 ASP HB3 . 52412 1 1398 . 1 . 1 187 187 ASP C C 13 174.665 . . . . . . . . 187 ASP C . 52412 1 1399 . 1 . 1 187 187 ASP CA C 13 52.109 . . . . . . . . 187 ASP CA . 52412 1 1400 . 1 . 1 187 187 ASP CB C 13 40.454 . . . . . . . . 187 ASP CB . 52412 1 1401 . 1 . 1 187 187 ASP N N 15 116.549 . . . . . . . . 187 ASP N . 52412 1 1402 . 1 . 1 188 188 ASN H H 1 8.052 . . . . . . . . 188 ASN H . 52412 1 1403 . 1 . 1 188 188 ASN C C 13 174.718 . . . . . . . . 188 ASN C . 52412 1 1404 . 1 . 1 188 188 ASN CA C 13 48.129 . . . . . . . . 188 ASN CA . 52412 1 1405 . 1 . 1 188 188 ASN CB C 13 33.163 . . . . . . . . 188 ASN CB . 52412 1 1406 . 1 . 1 188 188 ASN N N 15 126.075 . . . . . . . . 188 ASN N . 52412 1 1407 . 1 . 1 189 189 SER H H 1 8.109 . . . . . . . . 189 SER H . 52412 1 1408 . 1 . 1 189 189 SER HA H 1 3.876 . . . . . . . . 189 SER HA . 52412 1 1409 . 1 . 1 189 189 SER HB2 H 1 3.872 . . . . . . . . 189 SER HB2 . 52412 1 1410 . 1 . 1 189 189 SER HB3 H 1 3.881 . . . . . . . . 189 SER HB3 . 52412 1 1411 . 1 . 1 189 189 SER C C 13 175.055 . . . . . . . . 189 SER C . 52412 1 1412 . 1 . 1 189 189 SER CA C 13 58.855 . . . . . . . . 189 SER CA . 52412 1 1413 . 1 . 1 189 189 SER CB C 13 61.027 . . . . . . . . 189 SER CB . 52412 1 1414 . 1 . 1 189 189 SER N N 15 115.586 . . . . . . . . 189 SER N . 52412 1 1415 . 1 . 1 190 190 ASP H H 1 8.507 . . . . . . . . 190 ASP H . 52412 1 1416 . 1 . 1 190 190 ASP HB2 H 1 2.568 . . . . . . . . 190 ASP HB2 . 52412 1 1417 . 1 . 1 190 190 ASP HB3 H 1 3.547 . . . . . . . . 190 ASP HB3 . 52412 1 1418 . 1 . 1 190 190 ASP C C 13 174.450 . . . . . . . . 190 ASP C . 52412 1 1419 . 1 . 1 190 190 ASP CA C 13 49.293 . . . . . . . . 190 ASP CA . 52412 1 1420 . 1 . 1 190 190 ASP CB C 13 41.303 . . . . . . . . 190 ASP CB . 52412 1 1421 . 1 . 1 190 190 ASP N N 15 126.791 . . . . . . . . 190 ASP N . 52412 1 1422 . 1 . 1 191 191 PRO HA H 1 4.462 . . . . . . . . 191 PRO HA . 52412 1 1423 . 1 . 1 191 191 PRO HB2 H 1 1.745 . . . . . . . . 191 PRO HB2 . 52412 1 1424 . 1 . 1 191 191 PRO HB3 H 1 2.273 . . . . . . . . 191 PRO HB3 . 52412 1 1425 . 1 . 1 191 191 PRO HG2 H 1 1.971 . . . . . . . . 191 PRO HG2 . 52412 1 1426 . 1 . 1 191 191 PRO HG3 H 1 1.983 . . . . . . . . 191 PRO HG3 . 52412 1 1427 . 1 . 1 191 191 PRO C C 13 176.667 . . . . . . . . 191 PRO C . 52412 1 1428 . 1 . 1 191 191 PRO CA C 13 61.567 . . . . . . . . 191 PRO CA . 52412 1 1429 . 1 . 1 191 191 PRO CB C 13 29.346 . . . . . . . . 191 PRO CB . 52412 1 1430 . 1 . 1 191 191 PRO CG C 13 24.473 . . . . . . . . 191 PRO CG . 52412 1 1431 . 1 . 1 192 192 ASN H H 1 8.545 . . . . . . . . 192 ASN H . 52412 1 1432 . 1 . 1 192 192 ASN HA H 1 4.687 . . . . . . . . 192 ASN HA . 52412 1 1433 . 1 . 1 192 192 ASN HB2 H 1 2.155 . . . . . . . . 192 ASN HB2 . 52412 1 1434 . 1 . 1 192 192 ASN HB3 H 1 2.865 . . . . . . . . 192 ASN HB3 . 52412 1 1435 . 1 . 1 192 192 ASN C C 13 174.456 . . . . . . . . 192 ASN C . 52412 1 1436 . 1 . 1 192 192 ASN CA C 13 51.775 . . . . . . . . 192 ASN CA . 52412 1 1437 . 1 . 1 192 192 ASN CB C 13 39.495 . . . . . . . . 192 ASN CB . 52412 1 1438 . 1 . 1 192 192 ASN N N 15 113.221 . . . . . . . . 192 ASN N . 52412 1 1439 . 1 . 1 193 193 TRP H H 1 8.854 . . . . . . . . 193 TRP H . 52412 1 1440 . 1 . 1 193 193 TRP HA H 1 4.682 . . . . . . . . 193 TRP HA . 52412 1 1441 . 1 . 1 193 193 TRP HB2 H 1 2.757 . . . . . . . . 193 TRP HB2 . 52412 1 1442 . 1 . 1 193 193 TRP HB3 H 1 2.758 . . . . . . . . 193 TRP HB3 . 52412 1 1443 . 1 . 1 193 193 TRP HE1 H 1 9.458 . . . . . . . . 193 TRP HE1 . 52412 1 1444 . 1 . 1 193 193 TRP C C 13 174.242 . . . . . . . . 193 TRP C . 52412 1 1445 . 1 . 1 193 193 TRP CA C 13 53.802 . . . . . . . . 193 TRP CA . 52412 1 1446 . 1 . 1 193 193 TRP CB C 13 28.481 . . . . . . . . 193 TRP CB . 52412 1 1447 . 1 . 1 193 193 TRP N N 15 122.625 . . . . . . . . 193 TRP N . 52412 1 1448 . 1 . 1 193 193 TRP NE1 N 15 128.973 . . . . . . . . 193 TRP NE1 . 52412 1 1449 . 1 . 1 194 194 TRP H H 1 8.543 . . . . . . . . 194 TRP H . 52412 1 1450 . 1 . 1 194 194 TRP HA H 1 4.995 . . . . . . . . 194 TRP HA . 52412 1 1451 . 1 . 1 194 194 TRP HB2 H 1 2.686 . . . . . . . . 194 TRP HB2 . 52412 1 1452 . 1 . 1 194 194 TRP HB3 H 1 2.689 . . . . . . . . 194 TRP HB3 . 52412 1 1453 . 1 . 1 194 194 TRP HD1 H 1 7.073 . . . . . . . . 194 TRP HD1 . 52412 1 1454 . 1 . 1 194 194 TRP C C 13 173.188 . . . . . . . . 194 TRP C . 52412 1 1455 . 1 . 1 194 194 TRP CA C 13 50.710 . . . . . . . . 194 TRP CA . 52412 1 1456 . 1 . 1 194 194 TRP CB C 13 30.104 . . . . . . . . 194 TRP CB . 52412 1 1457 . 1 . 1 194 194 TRP N N 15 125.685 . . . . . . . . 194 TRP N . 52412 1 1458 . 1 . 1 195 195 LYS H H 1 8.536 . . . . . . . . 195 LYS H . 52412 1 1459 . 1 . 1 195 195 LYS HA H 1 5.341 . . . . . . . . 195 LYS HA . 52412 1 1460 . 1 . 1 195 195 LYS HB2 H 1 1.748 . . . . . . . . 195 LYS HB2 . 52412 1 1461 . 1 . 1 195 195 LYS HB3 H 1 1.749 . . . . . . . . 195 LYS HB3 . 52412 1 1462 . 1 . 1 195 195 LYS HG2 H 1 0.896 . . . . . . . . 195 LYS HG2 . 52412 1 1463 . 1 . 1 195 195 LYS HE3 H 1 2.863 . . . . . . . . 195 LYS HE3 . 52412 1 1464 . 1 . 1 195 195 LYS C C 13 177.616 . . . . . . . . 195 LYS C . 52412 1 1465 . 1 . 1 195 195 LYS CA C 13 52.253 . . . . . . . . 195 LYS CA . 52412 1 1466 . 1 . 1 195 195 LYS CB C 13 32.960 . . . . . . . . 195 LYS CB . 52412 1 1467 . 1 . 1 195 195 LYS CE C 13 39.273 . . . . . . . . 195 LYS CE . 52412 1 1468 . 1 . 1 195 195 LYS N N 15 119.405 . . . . . . . . 195 LYS N . 52412 1 1469 . 1 . 1 196 196 GLY H H 1 9.692 . . . . . . . . 196 GLY H . 52412 1 1470 . 1 . 1 196 196 GLY HA2 H 1 3.926 . . . . . . . . 196 GLY HA2 . 52412 1 1471 . 1 . 1 196 196 GLY HA3 H 1 3.938 . . . . . . . . 196 GLY HA3 . 52412 1 1472 . 1 . 1 196 196 GLY C C 13 169.260 . . . . . . . . 196 GLY C . 52412 1 1473 . 1 . 1 196 196 GLY CA C 13 43.654 . . . . . . . . 196 GLY CA . 52412 1 1474 . 1 . 1 196 196 GLY N N 15 115.206 . . . . . . . . 196 GLY N . 52412 1 1475 . 1 . 1 197 197 ALA H H 1 8.867 . . . . . . . . 197 ALA H . 52412 1 1476 . 1 . 1 197 197 ALA HA H 1 5.694 . . . . . . . . 197 ALA HA . 52412 1 1477 . 1 . 1 197 197 ALA HB1 H 1 1.386 . . . . . . . . 197 ALA HB# . 52412 1 1478 . 1 . 1 197 197 ALA HB2 H 1 1.386 . . . . . . . . 197 ALA HB# . 52412 1 1479 . 1 . 1 197 197 ALA HB3 H 1 1.386 . . . . . . . . 197 ALA HB# . 52412 1 1480 . 1 . 1 197 197 ALA C C 13 176.716 . . . . . . . . 197 ALA C . 52412 1 1481 . 1 . 1 197 197 ALA CA C 13 48.116 . . . . . . . . 197 ALA CA . 52412 1 1482 . 1 . 1 197 197 ALA CB C 13 20.232 . . . . . . . . 197 ALA CB . 52412 1 1483 . 1 . 1 197 197 ALA N N 15 120.779 . . . . . . . . 197 ALA N . 52412 1 1484 . 1 . 1 198 198 ALA H H 1 8.597 . . . . . . . . 198 ALA H . 52412 1 1485 . 1 . 1 198 198 ALA HB1 H 1 1.306 . . . . . . . . 198 ALA HB# . 52412 1 1486 . 1 . 1 198 198 ALA HB2 H 1 1.306 . . . . . . . . 198 ALA HB# . 52412 1 1487 . 1 . 1 198 198 ALA HB3 H 1 1.306 . . . . . . . . 198 ALA HB# . 52412 1 1488 . 1 . 1 198 198 ALA C C 13 175.534 . . . . . . . . 198 ALA C . 52412 1 1489 . 1 . 1 198 198 ALA CA C 13 50.119 . . . . . . . . 198 ALA CA . 52412 1 1490 . 1 . 1 198 198 ALA CB C 13 18.901 . . . . . . . . 198 ALA CB . 52412 1 1491 . 1 . 1 198 198 ALA N N 15 123.364 . . . . . . . . 198 ALA N . 52412 1 1492 . 1 . 1 199 199 HIS HB2 H 1 3.233 . . . . . . . . 199 HIS HB2 . 52412 1 1493 . 1 . 1 199 199 HIS HB3 H 1 3.502 . . . . . . . . 199 HIS HB3 . 52412 1 1494 . 1 . 1 199 199 HIS C C 13 175.113 . . . . . . . . 199 HIS C . 52412 1 1495 . 1 . 1 199 199 HIS CA C 13 53.522 . . . . . . . . 199 HIS CA . 52412 1 1496 . 1 . 1 199 199 HIS CB C 13 24.489 . . . . . . . . 199 HIS CB . 52412 1 1497 . 1 . 1 200 200 GLY H H 1 8.720 . . . . . . . . 200 GLY H . 52412 1 1498 . 1 . 1 200 200 GLY HA2 H 1 4.164 . . . . . . . . 200 GLY HA2 . 52412 1 1499 . 1 . 1 200 200 GLY HA3 H 1 4.169 . . . . . . . . 200 GLY HA3 . 52412 1 1500 . 1 . 1 200 200 GLY C C 13 173.807 . . . . . . . . 200 GLY C . 52412 1 1501 . 1 . 1 200 200 GLY CA C 13 43.141 . . . . . . . . 200 GLY CA . 52412 1 1502 . 1 . 1 200 200 GLY N N 15 105.266 . . . . . . . . 200 GLY N . 52412 1 1503 . 1 . 1 201 201 GLN H H 1 8.074 . . . . . . . . 201 GLN H . 52412 1 1504 . 1 . 1 201 201 GLN HA H 1 4.777 . . . . . . . . 201 GLN HA . 52412 1 1505 . 1 . 1 201 201 GLN HB2 H 1 2.228 . . . . . . . . 201 GLN HB2 . 52412 1 1506 . 1 . 1 201 201 GLN HB3 H 1 2.015 . . . . . . . . 201 GLN HB3 . 52412 1 1507 . 1 . 1 201 201 GLN HG2 H 1 2.397 . . . . . . . . 201 GLN HG2 . 52412 1 1508 . 1 . 1 201 201 GLN HG3 H 1 2.417 . . . . . . . . 201 GLN HG3 . 52412 1 1509 . 1 . 1 201 201 GLN C C 13 174.659 . . . . . . . . 201 GLN C . 52412 1 1510 . 1 . 1 201 201 GLN CA C 13 51.376 . . . . . . . . 201 GLN CA . 52412 1 1511 . 1 . 1 201 201 GLN CB C 13 29.446 . . . . . . . . 201 GLN CB . 52412 1 1512 . 1 . 1 201 201 GLN CG C 13 31.322 . . . . . . . . 201 GLN CG . 52412 1 1513 . 1 . 1 201 201 GLN N N 15 120.531 . . . . . . . . 201 GLN N . 52412 1 1514 . 1 . 1 201 201 GLN NE2 N 15 111.986 . . . . . . . . 201 GLN NE2 . 52412 1 1515 . 1 . 1 202 202 THR H H 1 8.388 . . . . . . . . 202 THR H . 52412 1 1516 . 1 . 1 202 202 THR HB H 1 3.973 . . . . . . . . 202 THR HB . 52412 1 1517 . 1 . 1 202 202 THR HG21 H 1 1.107 . . . . . . . . 202 THR QG2 . 52412 1 1518 . 1 . 1 202 202 THR HG22 H 1 1.107 . . . . . . . . 202 THR QG2 . 52412 1 1519 . 1 . 1 202 202 THR HG23 H 1 1.107 . . . . . . . . 202 THR QG2 . 52412 1 1520 . 1 . 1 202 202 THR C C 13 174.661 . . . . . . . . 202 THR C . 52412 1 1521 . 1 . 1 202 202 THR CA C 13 57.690 . . . . . . . . 202 THR CA . 52412 1 1522 . 1 . 1 202 202 THR CB C 13 69.284 . . . . . . . . 202 THR CB . 52412 1 1523 . 1 . 1 202 202 THR CG2 C 13 19.035 . . . . . . . . 202 THR CG2 . 52412 1 1524 . 1 . 1 202 202 THR N N 15 112.887 . . . . . . . . 202 THR N . 52412 1 1525 . 1 . 1 203 203 GLY H H 1 9.053 . . . . . . . . 203 GLY H . 52412 1 1526 . 1 . 1 203 203 GLY HA2 H 1 4.157 . . . . . . . . 203 GLY HA2 . 52412 1 1527 . 1 . 1 203 203 GLY HA3 H 1 4.168 . . . . . . . . 203 GLY HA3 . 52412 1 1528 . 1 . 1 203 203 GLY C C 13 171.378 . . . . . . . . 203 GLY C . 52412 1 1529 . 1 . 1 203 203 GLY CA C 13 43.144 . . . . . . . . 203 GLY CA . 52412 1 1530 . 1 . 1 203 203 GLY N N 15 108.402 . . . . . . . . 203 GLY N . 52412 1 1531 . 1 . 1 204 204 MET H H 1 8.929 . . . . . . . . 204 MET H . 52412 1 1532 . 1 . 1 204 204 MET HA H 1 5.992 . . . . . . . . 204 MET HA . 52412 1 1533 . 1 . 1 204 204 MET HB2 H 1 2.574 . . . . . . . . 204 MET QB . 52412 1 1534 . 1 . 1 204 204 MET HB3 H 1 2.574 . . . . . . . . 204 MET QB . 52412 1 1535 . 1 . 1 204 204 MET HE1 H 1 1.846 . . . . . . . . 204 MET HE# . 52412 1 1536 . 1 . 1 204 204 MET HE2 H 1 1.846 . . . . . . . . 204 MET HE# . 52412 1 1537 . 1 . 1 204 204 MET HE3 H 1 1.846 . . . . . . . . 204 MET HE# . 52412 1 1538 . 1 . 1 204 204 MET C C 13 177.353 . . . . . . . . 204 MET C . 52412 1 1539 . 1 . 1 204 204 MET CA C 13 50.599 . . . . . . . . 204 MET CA . 52412 1 1540 . 1 . 1 204 204 MET CB C 13 29.790 . . . . . . . . 204 MET CB . 52412 1 1541 . 1 . 1 204 204 MET CE C 13 12.563 . . . . . . . . 204 MET CE . 52412 1 1542 . 1 . 1 204 204 MET N N 15 117.338 . . . . . . . . 204 MET N . 52412 1 1543 . 1 . 1 205 205 PHE H H 1 9.571 . . . . . . . . 205 PHE H . 52412 1 1544 . 1 . 1 205 205 PHE C C 13 170.681 . . . . . . . . 205 PHE C . 52412 1 1545 . 1 . 1 205 205 PHE CA C 13 52.666 . . . . . . . . 205 PHE CA . 52412 1 1546 . 1 . 1 205 205 PHE CB C 13 37.642 . . . . . . . . 205 PHE CB . 52412 1 1547 . 1 . 1 205 205 PHE N N 15 118.309 . . . . . . . . 205 PHE N . 52412 1 1548 . 1 . 1 206 206 PRO HA H 1 3.594 . . . . . . . . 206 PRO HA . 52412 1 1549 . 1 . 1 206 206 PRO HB2 H 1 1.576 . . . . . . . . 206 PRO HB2 . 52412 1 1550 . 1 . 1 206 206 PRO HB3 H 1 1.627 . . . . . . . . 206 PRO HB3 . 52412 1 1551 . 1 . 1 206 206 PRO C C 13 177.904 . . . . . . . . 206 PRO C . 52412 1 1552 . 1 . 1 206 206 PRO CA C 13 58.175 . . . . . . . . 206 PRO CA . 52412 1 1553 . 1 . 1 206 206 PRO CB C 13 27.466 . . . . . . . . 206 PRO CB . 52412 1 1554 . 1 . 1 207 207 ARG H H 1 7.693 . . . . . . . . 207 ARG H . 52412 1 1555 . 1 . 1 207 207 ARG C C 13 176.634 . . . . . . . . 207 ARG C . 52412 1 1556 . 1 . 1 207 207 ARG CA C 13 54.505 . . . . . . . . 207 ARG CA . 52412 1 1557 . 1 . 1 207 207 ARG CB C 13 24.450 . . . . . . . . 207 ARG CB . 52412 1 1558 . 1 . 1 207 207 ARG N N 15 125.305 . . . . . . . . 207 ARG N . 52412 1 1559 . 1 . 1 208 208 ASN H H 1 8.430 . . . . . . . . 208 ASN H . 52412 1 1560 . 1 . 1 208 208 ASN HA H 1 4.490 . . . . . . . . 208 ASN HA . 52412 1 1561 . 1 . 1 208 208 ASN HB2 H 1 2.575 . . . . . . . . 208 ASN HB2 . 52412 1 1562 . 1 . 1 208 208 ASN HB3 H 1 2.908 . . . . . . . . 208 ASN HB3 . 52412 1 1563 . 1 . 1 208 208 ASN C C 13 174.714 . . . . . . . . 208 ASN C . 52412 1 1564 . 1 . 1 208 208 ASN CA C 13 51.168 . . . . . . . . 208 ASN CA . 52412 1 1565 . 1 . 1 208 208 ASN CB C 13 32.717 . . . . . . . . 208 ASN CB . 52412 1 1566 . 1 . 1 208 208 ASN N N 15 114.240 . . . . . . . . 208 ASN N . 52412 1 1567 . 1 . 1 209 209 TYR H H 1 7.719 . . . . . . . . 209 TYR H . 52412 1 1568 . 1 . 1 209 209 TYR HA H 1 4.693 . . . . . . . . 209 TYR HA . 52412 1 1569 . 1 . 1 209 209 TYR HB2 H 1 3.322 . . . . . . . . 209 TYR HB2 . 52412 1 1570 . 1 . 1 209 209 TYR HB3 H 1 3.537 . . . . . . . . 209 TYR HB3 . 52412 1 1571 . 1 . 1 209 209 TYR C C 13 175.479 . . . . . . . . 209 TYR C . 52412 1 1572 . 1 . 1 209 209 TYR CA C 13 56.174 . . . . . . . . 209 TYR CA . 52412 1 1573 . 1 . 1 209 209 TYR CB C 13 35.827 . . . . . . . . 209 TYR CB . 52412 1 1574 . 1 . 1 209 209 TYR N N 15 119.321 . . . . . . . . 209 TYR N . 52412 1 1575 . 1 . 1 210 210 VAL H H 1 7.427 . . . . . . . . 210 VAL H . 52412 1 1576 . 1 . 1 210 210 VAL HA H 1 5.172 . . . . . . . . 210 VAL HA . 52412 1 1577 . 1 . 1 210 210 VAL HB H 1 1.671 . . . . . . . . 210 VAL HB . 52412 1 1578 . 1 . 1 210 210 VAL HG11 H 1 0.819 . . . . . . . . 210 VAL QG1 . 52412 1 1579 . 1 . 1 210 210 VAL HG12 H 1 0.819 . . . . . . . . 210 VAL QG1 . 52412 1 1580 . 1 . 1 210 210 VAL HG13 H 1 0.819 . . . . . . . . 210 VAL QG1 . 52412 1 1581 . 1 . 1 210 210 VAL HG21 H 1 0.349 . . . . . . . . 210 VAL QG2 . 52412 1 1582 . 1 . 1 210 210 VAL HG22 H 1 0.349 . . . . . . . . 210 VAL QG2 . 52412 1 1583 . 1 . 1 210 210 VAL HG23 H 1 0.349 . . . . . . . . 210 VAL QG2 . 52412 1 1584 . 1 . 1 210 210 VAL C C 13 173.257 . . . . . . . . 210 VAL C . 52412 1 1585 . 1 . 1 210 210 VAL CA C 13 56.151 . . . . . . . . 210 VAL CA . 52412 1 1586 . 1 . 1 210 210 VAL CB C 13 32.960 . . . . . . . . 210 VAL CB . 52412 1 1587 . 1 . 1 210 210 VAL CG1 C 13 15.102 . . . . . . . . 210 VAL CG1 . 52412 1 1588 . 1 . 1 210 210 VAL CG2 C 13 18.051 . . . . . . . . 210 VAL CG2 . 52412 1 1589 . 1 . 1 210 210 VAL N N 15 109.875 . . . . . . . . 210 VAL N . 52412 1 1590 . 1 . 1 211 211 THR H H 1 8.523 . . . . . . . . 211 THR H . 52412 1 1591 . 1 . 1 211 211 THR HA H 1 5.584 . . . . . . . . 211 THR HA . 52412 1 1592 . 1 . 1 211 211 THR HB H 1 3.954 . . . . . . . . 211 THR HB . 52412 1 1593 . 1 . 1 211 211 THR C C 13 171.371 . . . . . . . . 211 THR C . 52412 1 1594 . 1 . 1 211 211 THR CA C 13 55.043 . . . . . . . . 211 THR CA . 52412 1 1595 . 1 . 1 211 211 THR CB C 13 69.746 . . . . . . . . 211 THR CB . 52412 1 1596 . 1 . 1 211 211 THR N N 15 113.676 . . . . . . . . 211 THR N . 52412 1 1597 . 1 . 1 212 212 PRO HA H 1 4.658 . . . . . . . . 212 PRO HA . 52412 1 1598 . 1 . 1 212 212 PRO HB2 H 1 1.913 . . . . . . . . 212 PRO HB2 . 52412 1 1599 . 1 . 1 212 212 PRO HB3 H 1 2.397 . . . . . . . . 212 PRO HB3 . 52412 1 1600 . 1 . 1 212 212 PRO HG2 H 1 1.864 . . . . . . . . 212 PRO HG2 . 52412 1 1601 . 1 . 1 212 212 PRO HG3 H 1 2.134 . . . . . . . . 212 PRO HG3 . 52412 1 1602 . 1 . 1 212 212 PRO C C 13 176.146 . . . . . . . . 212 PRO C . 52412 1 1603 . 1 . 1 212 212 PRO CA C 13 61.283 . . . . . . . . 212 PRO CA . 52412 1 1604 . 1 . 1 212 212 PRO CB C 13 29.485 . . . . . . . . 212 PRO CB . 52412 1 1605 . 1 . 1 212 212 PRO CG C 13 25.403 . . . . . . . . 212 PRO CG . 52412 1 1606 . 1 . 1 213 213 VAL H H 1 7.946 . . . . . . . . 213 VAL H . 52412 1 1607 . 1 . 1 213 213 VAL HA H 1 4.287 . . . . . . . . 213 VAL HA . 52412 1 1608 . 1 . 1 213 213 VAL HB H 1 1.996 . . . . . . . . 213 VAL HB . 52412 1 1609 . 1 . 1 213 213 VAL HG11 H 1 0.773 . . . . . . . . 213 VAL QG1 . 52412 1 1610 . 1 . 1 213 213 VAL HG12 H 1 0.773 . . . . . . . . 213 VAL QG1 . 52412 1 1611 . 1 . 1 213 213 VAL HG13 H 1 0.773 . . . . . . . . 213 VAL QG1 . 52412 1 1612 . 1 . 1 213 213 VAL HG21 H 1 0.857 . . . . . . . . 213 VAL QG2 . 52412 1 1613 . 1 . 1 213 213 VAL HG22 H 1 0.857 . . . . . . . . 213 VAL QG2 . 52412 1 1614 . 1 . 1 213 213 VAL HG23 H 1 0.857 . . . . . . . . 213 VAL QG2 . 52412 1 1615 . 1 . 1 213 213 VAL C C 13 174.768 . . . . . . . . 213 VAL C . 52412 1 1616 . 1 . 1 213 213 VAL CA C 13 58.544 . . . . . . . . 213 VAL CA . 52412 1 1617 . 1 . 1 213 213 VAL CB C 13 25.025 . . . . . . . . 213 VAL CB . 52412 1 1618 . 1 . 1 213 213 VAL CG1 C 13 17.483 . . . . . . . . 213 VAL CG1 . 52412 1 1619 . 1 . 1 213 213 VAL CG2 C 13 18.669 . . . . . . . . 213 VAL CG2 . 52412 1 1620 . 1 . 1 213 213 VAL N N 15 118.864 . . . . . . . . 213 VAL N . 52412 1 1621 . 1 . 1 214 214 ASN H H 1 8.576 . . . . . . . . 214 ASN H . 52412 1 1622 . 1 . 1 214 214 ASN HA H 1 4.773 . . . . . . . . 214 ASN HA . 52412 1 1623 . 1 . 1 214 214 ASN HB2 H 1 2.766 . . . . . . . . 214 ASN HB2 . 52412 1 1624 . 1 . 1 214 214 ASN HB3 H 1 2.674 . . . . . . . . 214 ASN HB3 . 52412 1 1625 . 1 . 1 214 214 ASN C C 13 174.669 . . . . . . . . 214 ASN C . 52412 1 1626 . 1 . 1 214 214 ASN CA C 13 50.269 . . . . . . . . 214 ASN CA . 52412 1 1627 . 1 . 1 214 214 ASN CB C 13 36.071 . . . . . . . . 214 ASN CB . 52412 1 1628 . 1 . 1 214 214 ASN N N 15 122.357 . . . . . . . . 214 ASN N . 52412 1 1629 . 1 . 1 215 215 ARG H H 1 8.265 . . . . . . . . 215 ARG H . 52412 1 1630 . 1 . 1 215 215 ARG HA H 1 4.221 . . . . . . . . 215 ARG HA . 52412 1 1631 . 1 . 1 215 215 ARG HB2 H 1 1.646 . . . . . . . . 215 ARG HB2 . 52412 1 1632 . 1 . 1 215 215 ARG HB3 H 1 1.469 . . . . . . . . 215 ARG HB3 . 52412 1 1633 . 1 . 1 215 215 ARG HG2 H 1 1.295 . . . . . . . . 215 ARG HG2 . 52412 1 1634 . 1 . 1 215 215 ARG HG3 H 1 1.299 . . . . . . . . 215 ARG HG3 . 52412 1 1635 . 1 . 1 215 215 ARG HD2 H 1 2.636 . . . . . . . . 215 ARG HD2 . 52412 1 1636 . 1 . 1 215 215 ARG HD3 H 1 2.687 . . . . . . . . 215 ARG HD3 . 52412 1 1637 . 1 . 1 215 215 ARG C C 13 175.126 . . . . . . . . 215 ARG C . 52412 1 1638 . 1 . 1 215 215 ARG CA C 13 53.040 . . . . . . . . 215 ARG CA . 52412 1 1639 . 1 . 1 215 215 ARG CB C 13 28.122 . . . . . . . . 215 ARG CB . 52412 1 1640 . 1 . 1 215 215 ARG CG C 13 23.754 . . . . . . . . 215 ARG CG . 52412 1 1641 . 1 . 1 215 215 ARG N N 15 121.485 . . . . . . . . 215 ARG N . 52412 1 1642 . 1 . 1 216 216 ASN H H 1 8.373 . . . . . . . . 216 ASN H . 52412 1 1643 . 1 . 1 216 216 ASN HA H 1 4.574 . . . . . . . . 216 ASN HA . 52412 1 1644 . 1 . 1 216 216 ASN HB2 H 1 2.580 . . . . . . . . 216 ASN HB2 . 52412 1 1645 . 1 . 1 216 216 ASN HB3 H 1 2.589 . . . . . . . . 216 ASN HB3 . 52412 1 1646 . 1 . 1 216 216 ASN C C 13 173.855 . . . . . . . . 216 ASN C . 52412 1 1647 . 1 . 1 216 216 ASN CA C 13 50.706 . . . . . . . . 216 ASN CA . 52412 1 1648 . 1 . 1 216 216 ASN CB C 13 35.811 . . . . . . . . 216 ASN CB . 52412 1 1649 . 1 . 1 216 216 ASN N N 15 120.471 . . . . . . . . 216 ASN N . 52412 1 1650 . 1 . 1 217 217 VAL H H 1 7.441 . . . . . . . . 217 VAL H . 52412 1 1651 . 1 . 1 217 217 VAL HA H 1 3.884 . . . . . . . . 217 VAL HA . 52412 1 1652 . 1 . 1 217 217 VAL HB H 1 1.919 . . . . . . . . 217 VAL HB . 52412 1 1653 . 1 . 1 217 217 VAL HG11 H 1 0.721 . . . . . . . . 217 VAL QG1 . 52412 1 1654 . 1 . 1 217 217 VAL HG12 H 1 0.721 . . . . . . . . 217 VAL QG1 . 52412 1 1655 . 1 . 1 217 217 VAL HG13 H 1 0.721 . . . . . . . . 217 VAL QG1 . 52412 1 1656 . 1 . 1 217 217 VAL HG21 H 1 0.699 . . . . . . . . 217 VAL QG2 . 52412 1 1657 . 1 . 1 217 217 VAL HG22 H 1 0.699 . . . . . . . . 217 VAL QG2 . 52412 1 1658 . 1 . 1 217 217 VAL HG23 H 1 0.699 . . . . . . . . 217 VAL QG2 . 52412 1 1659 . 1 . 1 217 217 VAL C C 13 180.656 . . . . . . . . 217 VAL C . 52412 1 1660 . 1 . 1 217 217 VAL CA C 13 60.744 . . . . . . . . 217 VAL CA . 52412 1 1661 . 1 . 1 217 217 VAL CB C 13 30.287 . . . . . . . . 217 VAL CB . 52412 1 1662 . 1 . 1 217 217 VAL CG1 C 13 18.464 . . . . . . . . 217 VAL CG1 . 52412 1 1663 . 1 . 1 217 217 VAL CG2 C 13 16.858 . . . . . . . . 217 VAL CG2 . 52412 1 1664 . 1 . 1 217 217 VAL N N 15 123.370 . . . . . . . . 217 VAL N . 52412 1 stop_ save_