data_50082 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50082 _Entry.Title ; hGrb2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-10-31 _Entry.Accession_date 2019-10-31 _Entry.Last_release_date 2019-11-01 _Entry.Original_release_date 2019-11-01 _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 '1H, 15N, 13C assignment of human adaptor protein Grb2' _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 Louise Pinet . . Dr. . 50082 2 Ying-Hui Wang . . Dr. . 50082 3 Anais Vogel . . Dr. . 50082 4 Francoise Guerlesquin . . Dr. . 50082 5 Nadine Assrir . . Dr. . 50082 6 Carine 'van Heijenoort' . . Dr. 0000-0002-2839-1037 50082 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institut de Chimie des Substances Naturelles' . 50082 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50082 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 555 50082 '15N chemical shifts' 173 50082 '1H chemical shifts' 173 50082 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 . . 2022-08-11 . original BMRB . 50082 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50082 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32844357 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N assignments of human Grb2 free of ligands ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 14 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 323 _Citation.Page_last 327 _Citation.Year 2020 _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 Louise Pinet . . Dr. . 50082 1 2 Ying-Hui Wang . . Dr. . 50082 1 3 Anais Vogel . . Dr. . 50082 1 4 Francoise Guerlesquin . . Dr. . 50082 1 5 Nadine Assrir . . Dr. . 50082 1 6 Carine 'van Heijenoort' . . Dr. . 50082 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Growth factor receptor-bound 2, Grb2, human, adaptor protein, signaling pathways' 50082 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50082 _Assembly.ID 1 _Assembly.Name GRB2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'NSH3 domain unfolded.' _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 yes . . . 50082 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 crystallography' 3.1 . . 50082 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Adapter protein' 50082 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50082 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMEAIAKYDFKATADDELS FKRGDILKVLNEECDQNWYK AELNGKDGFIPKNYIEMKPH PWFFGKIPRAKAEEMLSKQR HDGAFLIRESESAPGDFSLS VKFGNDVQHFKVLRDGAGKY FLWVVKFNSLNELVDYHRST SVSRNQQIFLRDIEQVPQQP TYVQALFDFDPQEDGELGFR RGDFIHVMDNSDPNWWKGAC HGQTGMFPRNYVTPVNRNV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq -1,G _Entity.Polymer_author_seq_details ; Sequence numbering is sequential, from -1,G to 217,V. The first two residues come from TEV cleavage site of the purification tag. ; _Entity.Ambiguous_conformational_states yes _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 219 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state reduced _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 25334 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The formula mass is given for an unlabeled 12C, 14N, 1H protein' _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 Uniprot P62993 . GRB2 . . . . . . . . . . . . . . 50082 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Adapter protein' 50082 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 . GLY . 50082 1 2 . ALA . 50082 1 3 . MET . 50082 1 4 . GLU . 50082 1 5 . ALA . 50082 1 6 . ILE . 50082 1 7 . ALA . 50082 1 8 . LYS . 50082 1 9 . TYR . 50082 1 10 . ASP . 50082 1 11 . PHE . 50082 1 12 . LYS . 50082 1 13 . ALA . 50082 1 14 . THR . 50082 1 15 . ALA . 50082 1 16 . ASP . 50082 1 17 . ASP . 50082 1 18 . GLU . 50082 1 19 . LEU . 50082 1 20 . SER . 50082 1 21 . PHE . 50082 1 22 . LYS . 50082 1 23 . ARG . 50082 1 24 . GLY . 50082 1 25 . ASP . 50082 1 26 . ILE . 50082 1 27 . LEU . 50082 1 28 . LYS . 50082 1 29 . VAL . 50082 1 30 . LEU . 50082 1 31 . ASN . 50082 1 32 . GLU . 50082 1 33 . GLU . 50082 1 34 . CYS . 50082 1 35 . ASP . 50082 1 36 . GLN . 50082 1 37 . ASN . 50082 1 38 . TRP . 50082 1 39 . TYR . 50082 1 40 . LYS . 50082 1 41 . ALA . 50082 1 42 . GLU . 50082 1 43 . LEU . 50082 1 44 . ASN . 50082 1 45 . GLY . 50082 1 46 . LYS . 50082 1 47 . ASP . 50082 1 48 . GLY . 50082 1 49 . PHE . 50082 1 50 . ILE . 50082 1 51 . PRO . 50082 1 52 . LYS . 50082 1 53 . ASN . 50082 1 54 . TYR . 50082 1 55 . ILE . 50082 1 56 . GLU . 50082 1 57 . MET . 50082 1 58 . LYS . 50082 1 59 . PRO . 50082 1 60 . HIS . 50082 1 61 . PRO . 50082 1 62 . TRP . 50082 1 63 . PHE . 50082 1 64 . PHE . 50082 1 65 . GLY . 50082 1 66 . LYS . 50082 1 67 . ILE . 50082 1 68 . PRO . 50082 1 69 . ARG . 50082 1 70 . ALA . 50082 1 71 . LYS . 50082 1 72 . ALA . 50082 1 73 . GLU . 50082 1 74 . GLU . 50082 1 75 . MET . 50082 1 76 . LEU . 50082 1 77 . SER . 50082 1 78 . LYS . 50082 1 79 . GLN . 50082 1 80 . ARG . 50082 1 81 . HIS . 50082 1 82 . ASP . 50082 1 83 . GLY . 50082 1 84 . ALA . 50082 1 85 . PHE . 50082 1 86 . LEU . 50082 1 87 . ILE . 50082 1 88 . ARG . 50082 1 89 . GLU . 50082 1 90 . SER . 50082 1 91 . GLU . 50082 1 92 . SER . 50082 1 93 . ALA . 50082 1 94 . PRO . 50082 1 95 . GLY . 50082 1 96 . ASP . 50082 1 97 . PHE . 50082 1 98 . SER . 50082 1 99 . LEU . 50082 1 100 . SER . 50082 1 101 . VAL . 50082 1 102 . LYS . 50082 1 103 . PHE . 50082 1 104 . GLY . 50082 1 105 . ASN . 50082 1 106 . ASP . 50082 1 107 . VAL . 50082 1 108 . GLN . 50082 1 109 . HIS . 50082 1 110 . PHE . 50082 1 111 . LYS . 50082 1 112 . VAL . 50082 1 113 . LEU . 50082 1 114 . ARG . 50082 1 115 . ASP . 50082 1 116 . GLY . 50082 1 117 . ALA . 50082 1 118 . GLY . 50082 1 119 . LYS . 50082 1 120 . TYR . 50082 1 121 . PHE . 50082 1 122 . LEU . 50082 1 123 . TRP . 50082 1 124 . VAL . 50082 1 125 . VAL . 50082 1 126 . LYS . 50082 1 127 . PHE . 50082 1 128 . ASN . 50082 1 129 . SER . 50082 1 130 . LEU . 50082 1 131 . ASN . 50082 1 132 . GLU . 50082 1 133 . LEU . 50082 1 134 . VAL . 50082 1 135 . ASP . 50082 1 136 . TYR . 50082 1 137 . HIS . 50082 1 138 . ARG . 50082 1 139 . SER . 50082 1 140 . THR . 50082 1 141 . SER . 50082 1 142 . VAL . 50082 1 143 . SER . 50082 1 144 . ARG . 50082 1 145 . ASN . 50082 1 146 . GLN . 50082 1 147 . GLN . 50082 1 148 . ILE . 50082 1 149 . PHE . 50082 1 150 . LEU . 50082 1 151 . ARG . 50082 1 152 . ASP . 50082 1 153 . ILE . 50082 1 154 . GLU . 50082 1 155 . GLN . 50082 1 156 . VAL . 50082 1 157 . PRO . 50082 1 158 . GLN . 50082 1 159 . GLN . 50082 1 160 . PRO . 50082 1 161 . THR . 50082 1 162 . TYR . 50082 1 163 . VAL . 50082 1 164 . GLN . 50082 1 165 . ALA . 50082 1 166 . LEU . 50082 1 167 . PHE . 50082 1 168 . ASP . 50082 1 169 . PHE . 50082 1 170 . ASP . 50082 1 171 . PRO . 50082 1 172 . GLN . 50082 1 173 . GLU . 50082 1 174 . ASP . 50082 1 175 . GLY . 50082 1 176 . GLU . 50082 1 177 . LEU . 50082 1 178 . GLY . 50082 1 179 . PHE . 50082 1 180 . ARG . 50082 1 181 . ARG . 50082 1 182 . GLY . 50082 1 183 . ASP . 50082 1 184 . PHE . 50082 1 185 . ILE . 50082 1 186 . HIS . 50082 1 187 . VAL . 50082 1 188 . MET . 50082 1 189 . ASP . 50082 1 190 . ASN . 50082 1 191 . SER . 50082 1 192 . ASP . 50082 1 193 . PRO . 50082 1 194 . ASN . 50082 1 195 . TRP . 50082 1 196 . TRP . 50082 1 197 . LYS . 50082 1 198 . GLY . 50082 1 199 . ALA . 50082 1 200 . CYS . 50082 1 201 . HIS . 50082 1 202 . GLY . 50082 1 203 . GLN . 50082 1 204 . THR . 50082 1 205 . GLY . 50082 1 206 . MET . 50082 1 207 . PHE . 50082 1 208 . PRO . 50082 1 209 . ARG . 50082 1 210 . ASN . 50082 1 211 . TYR . 50082 1 212 . VAL . 50082 1 213 . THR . 50082 1 214 . PRO . 50082 1 215 . VAL . 50082 1 216 . ASN . 50082 1 217 . ARG . 50082 1 218 . ASN . 50082 1 219 . VAL . 50082 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 . GLY 1 1 50082 1 . ALA 2 2 50082 1 . MET 3 3 50082 1 . GLU 4 4 50082 1 . ALA 5 5 50082 1 . ILE 6 6 50082 1 . ALA 7 7 50082 1 . LYS 8 8 50082 1 . TYR 9 9 50082 1 . ASP 10 10 50082 1 . PHE 11 11 50082 1 . LYS 12 12 50082 1 . ALA 13 13 50082 1 . THR 14 14 50082 1 . ALA 15 15 50082 1 . ASP 16 16 50082 1 . ASP 17 17 50082 1 . GLU 18 18 50082 1 . LEU 19 19 50082 1 . SER 20 20 50082 1 . PHE 21 21 50082 1 . LYS 22 22 50082 1 . ARG 23 23 50082 1 . GLY 24 24 50082 1 . ASP 25 25 50082 1 . ILE 26 26 50082 1 . LEU 27 27 50082 1 . LYS 28 28 50082 1 . VAL 29 29 50082 1 . LEU 30 30 50082 1 . ASN 31 31 50082 1 . GLU 32 32 50082 1 . GLU 33 33 50082 1 . CYS 34 34 50082 1 . ASP 35 35 50082 1 . GLN 36 36 50082 1 . ASN 37 37 50082 1 . TRP 38 38 50082 1 . TYR 39 39 50082 1 . LYS 40 40 50082 1 . ALA 41 41 50082 1 . GLU 42 42 50082 1 . LEU 43 43 50082 1 . ASN 44 44 50082 1 . GLY 45 45 50082 1 . LYS 46 46 50082 1 . ASP 47 47 50082 1 . GLY 48 48 50082 1 . PHE 49 49 50082 1 . ILE 50 50 50082 1 . PRO 51 51 50082 1 . LYS 52 52 50082 1 . ASN 53 53 50082 1 . TYR 54 54 50082 1 . ILE 55 55 50082 1 . GLU 56 56 50082 1 . MET 57 57 50082 1 . LYS 58 58 50082 1 . PRO 59 59 50082 1 . HIS 60 60 50082 1 . PRO 61 61 50082 1 . TRP 62 62 50082 1 . PHE 63 63 50082 1 . PHE 64 64 50082 1 . GLY 65 65 50082 1 . LYS 66 66 50082 1 . ILE 67 67 50082 1 . PRO 68 68 50082 1 . ARG 69 69 50082 1 . ALA 70 70 50082 1 . LYS 71 71 50082 1 . ALA 72 72 50082 1 . GLU 73 73 50082 1 . GLU 74 74 50082 1 . MET 75 75 50082 1 . LEU 76 76 50082 1 . SER 77 77 50082 1 . LYS 78 78 50082 1 . GLN 79 79 50082 1 . ARG 80 80 50082 1 . HIS 81 81 50082 1 . ASP 82 82 50082 1 . GLY 83 83 50082 1 . ALA 84 84 50082 1 . PHE 85 85 50082 1 . LEU 86 86 50082 1 . ILE 87 87 50082 1 . ARG 88 88 50082 1 . GLU 89 89 50082 1 . SER 90 90 50082 1 . GLU 91 91 50082 1 . SER 92 92 50082 1 . ALA 93 93 50082 1 . PRO 94 94 50082 1 . GLY 95 95 50082 1 . ASP 96 96 50082 1 . PHE 97 97 50082 1 . SER 98 98 50082 1 . LEU 99 99 50082 1 . SER 100 100 50082 1 . VAL 101 101 50082 1 . LYS 102 102 50082 1 . PHE 103 103 50082 1 . GLY 104 104 50082 1 . ASN 105 105 50082 1 . ASP 106 106 50082 1 . VAL 107 107 50082 1 . GLN 108 108 50082 1 . HIS 109 109 50082 1 . PHE 110 110 50082 1 . LYS 111 111 50082 1 . VAL 112 112 50082 1 . LEU 113 113 50082 1 . ARG 114 114 50082 1 . ASP 115 115 50082 1 . GLY 116 116 50082 1 . ALA 117 117 50082 1 . GLY 118 118 50082 1 . LYS 119 119 50082 1 . TYR 120 120 50082 1 . PHE 121 121 50082 1 . LEU 122 122 50082 1 . TRP 123 123 50082 1 . VAL 124 124 50082 1 . VAL 125 125 50082 1 . LYS 126 126 50082 1 . PHE 127 127 50082 1 . ASN 128 128 50082 1 . SER 129 129 50082 1 . LEU 130 130 50082 1 . ASN 131 131 50082 1 . GLU 132 132 50082 1 . LEU 133 133 50082 1 . VAL 134 134 50082 1 . ASP 135 135 50082 1 . TYR 136 136 50082 1 . HIS 137 137 50082 1 . ARG 138 138 50082 1 . SER 139 139 50082 1 . THR 140 140 50082 1 . SER 141 141 50082 1 . VAL 142 142 50082 1 . SER 143 143 50082 1 . ARG 144 144 50082 1 . ASN 145 145 50082 1 . GLN 146 146 50082 1 . GLN 147 147 50082 1 . ILE 148 148 50082 1 . PHE 149 149 50082 1 . LEU 150 150 50082 1 . ARG 151 151 50082 1 . ASP 152 152 50082 1 . ILE 153 153 50082 1 . GLU 154 154 50082 1 . GLN 155 155 50082 1 . VAL 156 156 50082 1 . PRO 157 157 50082 1 . GLN 158 158 50082 1 . GLN 159 159 50082 1 . PRO 160 160 50082 1 . THR 161 161 50082 1 . TYR 162 162 50082 1 . VAL 163 163 50082 1 . GLN 164 164 50082 1 . ALA 165 165 50082 1 . LEU 166 166 50082 1 . PHE 167 167 50082 1 . ASP 168 168 50082 1 . PHE 169 169 50082 1 . ASP 170 170 50082 1 . PRO 171 171 50082 1 . GLN 172 172 50082 1 . GLU 173 173 50082 1 . ASP 174 174 50082 1 . GLY 175 175 50082 1 . GLU 176 176 50082 1 . LEU 177 177 50082 1 . GLY 178 178 50082 1 . PHE 179 179 50082 1 . ARG 180 180 50082 1 . ARG 181 181 50082 1 . GLY 182 182 50082 1 . ASP 183 183 50082 1 . PHE 184 184 50082 1 . ILE 185 185 50082 1 . HIS 186 186 50082 1 . VAL 187 187 50082 1 . MET 188 188 50082 1 . ASP 189 189 50082 1 . ASN 190 190 50082 1 . SER 191 191 50082 1 . ASP 192 192 50082 1 . PRO 193 193 50082 1 . ASN 194 194 50082 1 . TRP 195 195 50082 1 . TRP 196 196 50082 1 . LYS 197 197 50082 1 . GLY 198 198 50082 1 . ALA 199 199 50082 1 . CYS 200 200 50082 1 . HIS 201 201 50082 1 . GLY 202 202 50082 1 . GLN 203 203 50082 1 . THR 204 204 50082 1 . GLY 205 205 50082 1 . MET 206 206 50082 1 . PHE 207 207 50082 1 . PRO 208 208 50082 1 . ARG 209 209 50082 1 . ASN 210 210 50082 1 . TYR 211 211 50082 1 . VAL 212 212 50082 1 . THR 213 213 50082 1 . PRO 214 214 50082 1 . VAL 215 215 50082 1 . ASN 216 216 50082 1 . ARG 217 217 50082 1 . ASN 218 218 50082 1 . VAL 219 219 50082 1 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 50082 _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 . . . . . . . . . . . . . 50082 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 50082 _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)' . . plasmid . . pETM11 . . . 50082 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50082 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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-98% 13C; U-98% 15N;U-80% 2H]]' . . 1 $entity_1 . . 0.3 0.2 0.4 mM . . . . 50082 1 2 PIPES '12C, 14N, 1H' . . . . . . 40 . . mM . . . . 50082 1 3 'sodium chloride' '23Na, 35Cl' . . . . . . 150 . . mM . . . . 50082 1 4 TCEP '12C, 31P' . . . . . . 2 . . mM . . . . 50082 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50082 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details GRB2_308K 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 pH 7.2 . pH 50082 1 pressure 1 . atm 50082 1 temperature 308 . K 50082 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50082 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 50082 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'NMR experiments recording and processing' . 50082 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50082 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 50082 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50082 2 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 50082 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 950MHz _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50082 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details 800MHz _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 50082 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details 600MHz _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 50082 _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 . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50082 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50082 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50082 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50082 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50082 1 6 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50082 1 7 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50082 1 8 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50082 1 9 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50082 1 10 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50082 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 50082 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . 50082 1 H 1 water protons . . . . ppm 4.7 na direct 1 . . . . . 50082 1 N 15 'liquid anhydrous ammonia' 15N . . . . ppm 0 na indirect 0.1013291444 . . . . . 50082 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 50082 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method 'CCPNMR derived from values in all spectra' _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' . . . 50082 1 2 '3D HNCO' . . . 50082 1 3 '3D HNCO' . . . 50082 1 4 '3D HNCA' . . . 50082 1 5 '3D HNCACB' . . . 50082 1 6 '3D HN(CO)CACB' . . . 50082 1 7 '3D HN(CA)CO' . . . 50082 1 8 '3D HNCACB' . . . 50082 1 9 '3D HN(CO)CACB' . . . 50082 1 10 '3D HN(CA)CO' . . . 50082 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 2 2 ALA C C 13 177.052 0.011 . 1 . . 897 . . 2 ALA C . 50082 1 2 . 1 . 1 2 2 ALA CA C 13 51.963 0.052 . 1 . . 859 . . 2 ALA CA . 50082 1 3 . 1 . 1 2 2 ALA CB C 13 19.200 . . 1 . . 858 . . 2 ALA CB . 50082 1 4 . 1 . 1 3 3 MET H H 1 8.402 0.006 . 1 . . 767 . . 3 MET H . 50082 1 5 . 1 . 1 3 3 MET C C 13 174.969 0.01 . 1 . . 769 . . 3 MET C . 50082 1 6 . 1 . 1 3 3 MET CA C 13 54.520 0.039 . 1 . . 806 . . 3 MET CA . 50082 1 7 . 1 . 1 3 3 MET CB C 13 33.960 0.075 . 1 . . 805 . . 3 MET CB . 50082 1 8 . 1 . 1 3 3 MET N N 15 120.061 0.026 . 1 . . 768 . . 3 MET N . 50082 1 9 . 1 . 1 4 4 GLU H H 1 8.358 0.01 . 1 . . 726 . . 4 GLU H . 50082 1 10 . 1 . 1 4 4 GLU C C 13 174.923 0.033 . 1 . . 770 . . 4 GLU C . 50082 1 11 . 1 . 1 4 4 GLU CA C 13 55.374 0.061 . 1 . . 711 . . 4 GLU CA . 50082 1 12 . 1 . 1 4 4 GLU CB C 13 31.788 0.096 . 1 . . 710 . . 4 GLU CB . 50082 1 13 . 1 . 1 4 4 GLU N N 15 122.300 0.034 . 1 . . 727 . . 4 GLU N . 50082 1 14 . 1 . 1 5 5 ALA H H 1 8.810 0.01 . 1 . . 668 . . 5 ALA H . 50082 1 15 . 1 . 1 5 5 ALA C C 13 174.495 0.022 . 1 . . 712 . . 5 ALA C . 50082 1 16 . 1 . 1 5 5 ALA CA C 13 50.129 0.032 . 1 . . 709 . . 5 ALA CA . 50082 1 17 . 1 . 1 5 5 ALA CB C 13 23.401 0.08 . 1 . . 708 . . 5 ALA CB . 50082 1 18 . 1 . 1 5 5 ALA N N 15 124.618 0.06 . 1 . . 669 . . 5 ALA N . 50082 1 19 . 1 . 1 6 6 ILE H H 1 8.634 0.008 . 1 . . 672 . . 6 ILE H . 50082 1 20 . 1 . 1 6 6 ILE C C 13 176.304 0.018 . 1 . . 771 . . 6 ILE C . 50082 1 21 . 1 . 1 6 6 ILE CA C 13 58.686 0.046 . 1 . . 2 . . 6 ILE CA . 50082 1 22 . 1 . 1 6 6 ILE CB C 13 39.836 0.039 . 1 . . 3 . . 6 ILE CB . 50082 1 23 . 1 . 1 6 6 ILE N N 15 119.842 0.069 . 1 . . 673 . . 6 ILE N . 50082 1 24 . 1 . 1 7 7 ALA H H 1 8.744 0.003 . 1 . . 157 . . 7 ALA H . 50082 1 25 . 1 . 1 7 7 ALA C C 13 179.032 0.062 . 1 . . 772 . . 7 ALA C . 50082 1 26 . 1 . 1 7 7 ALA CA C 13 52.242 0.079 . 1 . . 155 . . 7 ALA CA . 50082 1 27 . 1 . 1 7 7 ALA CB C 13 20.814 0.033 . 1 . . 156 . . 7 ALA CB . 50082 1 28 . 1 . 1 7 7 ALA N N 15 128.775 0.057 . 1 . . 154 . . 7 ALA N . 50082 1 29 . 1 . 1 8 8 LYS H H 1 9.289 0.004 . 1 . . 277 . . 8 LYS H . 50082 1 30 . 1 . 1 8 8 LYS C C 13 174.720 0.027 . 1 . . 773 . . 8 LYS C . 50082 1 31 . 1 . 1 8 8 LYS CA C 13 56.939 0.035 . 1 . . 285 . . 8 LYS CA . 50082 1 32 . 1 . 1 8 8 LYS CB C 13 32.514 0.077 . 1 . . 284 . . 8 LYS CB . 50082 1 33 . 1 . 1 8 8 LYS N N 15 125.908 0.05 . 1 . . 276 . . 8 LYS N . 50082 1 34 . 1 . 1 9 9 TYR H H 1 7.170 0.006 . 1 . . 47 . . 9 TYR H . 50082 1 35 . 1 . 1 9 9 TYR C C 13 173.661 0.05 . 1 . . 774 . . 9 TYR C . 50082 1 36 . 1 . 1 9 9 TYR CA C 13 53.609 0.1 . 1 . . 287 . . 9 TYR CA . 50082 1 37 . 1 . 1 9 9 TYR CB C 13 42.326 0.109 . 1 . . 286 . . 9 TYR CB . 50082 1 38 . 1 . 1 9 9 TYR N N 15 113.238 0.111 . 1 . . 46 . . 9 TYR N . 50082 1 39 . 1 . 1 10 10 ASP H H 1 8.281 0.006 . 1 . . 267 . . 10 ASP H . 50082 1 40 . 1 . 1 10 10 ASP C C 13 175.704 0.027 . 1 . . 775 . . 10 ASP C . 50082 1 41 . 1 . 1 10 10 ASP CA C 13 54.238 0.117 . 1 . . 289 . . 10 ASP CA . 50082 1 42 . 1 . 1 10 10 ASP CB C 13 41.369 0.157 . 1 . . 288 . . 10 ASP CB . 50082 1 43 . 1 . 1 10 10 ASP N N 15 118.059 0.046 . 1 . . 266 . . 10 ASP N . 50082 1 44 . 1 . 1 11 11 PHE H H 1 8.411 0.005 . 1 . . 13 . . 11 PHE H . 50082 1 45 . 1 . 1 11 11 PHE C C 13 172.988 0.056 . 1 . . 776 . . 11 PHE C . 50082 1 46 . 1 . 1 11 11 PHE CA C 13 57.195 0.116 . 1 . . 291 . . 11 PHE CA . 50082 1 47 . 1 . 1 11 11 PHE CB C 13 42.078 0.141 . 1 . . 290 . . 11 PHE CB . 50082 1 48 . 1 . 1 11 11 PHE N N 15 121.821 0.052 . 1 . . 12 . . 11 PHE N . 50082 1 49 . 1 . 1 12 12 LYS H H 1 7.485 0.006 . 1 . . 227 . . 12 LYS H . 50082 1 50 . 1 . 1 12 12 LYS C C 13 173.735 0.035 . 1 . . 777 . . 12 LYS C . 50082 1 51 . 1 . 1 12 12 LYS CA C 13 53.207 0.072 . 1 . . 292 . . 12 LYS CA . 50082 1 52 . 1 . 1 12 12 LYS CB C 13 32.265 0.084 . 1 . . 293 . . 12 LYS CB . 50082 1 53 . 1 . 1 12 12 LYS N N 15 129.336 0.076 . 1 . . 226 . . 12 LYS N . 50082 1 54 . 1 . 1 13 13 ALA H H 1 8.104 0.006 . 1 . . 11 . . 13 ALA H . 50082 1 55 . 1 . 1 13 13 ALA C C 13 178.448 0.039 . 1 . . 778 . . 13 ALA C . 50082 1 56 . 1 . 1 13 13 ALA CA C 13 52.584 0.091 . 1 . . 294 . . 13 ALA CA . 50082 1 57 . 1 . 1 13 13 ALA CB C 13 20.046 0.094 . 1 . . 295 . . 13 ALA CB . 50082 1 58 . 1 . 1 13 13 ALA N N 15 127.837 0.068 . 1 . . 10 . . 13 ALA N . 50082 1 59 . 1 . 1 14 14 THR H H 1 9.002 0.016 . 1 . . 189 . . 14 THR H . 50082 1 60 . 1 . 1 14 14 THR C C 13 173.675 0.053 . 1 . . 779 . . 14 THR C . 50082 1 61 . 1 . 1 14 14 THR CA C 13 61.695 0.032 . 1 . . 296 . . 14 THR CA . 50082 1 62 . 1 . 1 14 14 THR CB C 13 69.673 0.01 . 1 . . 297 . . 14 THR CB . 50082 1 63 . 1 . 1 14 14 THR N N 15 114.422 0.082 . 1 . . 188 . . 14 THR N . 50082 1 64 . 1 . 1 15 15 ALA H H 1 7.575 0.005 . 1 . . 107 . . 15 ALA H . 50082 1 65 . 1 . 1 15 15 ALA C C 13 178.446 0.005 . 1 . . 715 . . 15 ALA C . 50082 1 66 . 1 . 1 15 15 ALA CA C 13 50.545 0.097 . 1 . . 714 . . 15 ALA CA . 50082 1 67 . 1 . 1 15 15 ALA CB C 13 21.640 0.086 . 1 . . 713 . . 15 ALA CB . 50082 1 68 . 1 . 1 15 15 ALA N N 15 124.526 0.075 . 1 . . 106 . . 15 ALA N . 50082 1 69 . 1 . 1 16 16 ASP C C 13 176.141 0.007 . 1 . . 780 . . 16 ASP C . 50082 1 70 . 1 . 1 16 16 ASP CA C 13 56.520 0.043 . 1 . . 862 . . 16 ASP CA . 50082 1 71 . 1 . 1 16 16 ASP CB C 13 40.489 . . 1 . . 807 . . 16 ASP CB . 50082 1 72 . 1 . 1 17 17 ASP H H 1 8.138 0.005 . 1 . . 195 . . 17 ASP H . 50082 1 73 . 1 . 1 17 17 ASP C C 13 176.145 0.025 . 1 . . 781 . . 17 ASP C . 50082 1 74 . 1 . 1 17 17 ASP CA C 13 52.890 0.056 . 1 . . 299 . . 17 ASP CA . 50082 1 75 . 1 . 1 17 17 ASP CB C 13 39.459 0.069 . 1 . . 298 . . 17 ASP CB . 50082 1 76 . 1 . 1 17 17 ASP N N 15 115.016 0.042 . 1 . . 194 . . 17 ASP N . 50082 1 77 . 1 . 1 18 18 GLU H H 1 7.417 0.004 . 1 . . 165 . . 18 GLU H . 50082 1 78 . 1 . 1 18 18 GLU C C 13 175.383 0.029 . 1 . . 782 . . 18 GLU C . 50082 1 79 . 1 . 1 18 18 GLU CA C 13 54.924 0.05 . 1 . . 300 . . 18 GLU CA . 50082 1 80 . 1 . 1 18 18 GLU CB C 13 32.172 0.031 . 1 . . 301 . . 18 GLU CB . 50082 1 81 . 1 . 1 18 18 GLU N N 15 119.949 0.036 . 1 . . 164 . . 18 GLU N . 50082 1 82 . 1 . 1 19 19 LEU H H 1 8.247 0.006 . 1 . . 15 . . 19 LEU H . 50082 1 83 . 1 . 1 19 19 LEU C C 13 174.627 0.064 . 1 . . 783 . . 19 LEU C . 50082 1 84 . 1 . 1 19 19 LEU CA C 13 53.363 0.085 . 1 . . 808 . . 19 LEU CA . 50082 1 85 . 1 . 1 19 19 LEU CB C 13 44.238 0.145 . 1 . . 302 . . 19 LEU CB . 50082 1 86 . 1 . 1 19 19 LEU N N 15 124.697 0.058 . 1 . . 14 . . 19 LEU N . 50082 1 87 . 1 . 1 20 20 SER H H 1 7.738 0.005 . 1 . . 73 . . 20 SER H . 50082 1 88 . 1 . 1 20 20 SER C C 13 174.004 0.06 . 1 . . 784 . . 20 SER C . 50082 1 89 . 1 . 1 20 20 SER CA C 13 58.656 0.056 . 1 . . 303 . . 20 SER CA . 50082 1 90 . 1 . 1 20 20 SER CB C 13 64.668 0.142 . 1 . . 304 . . 20 SER CB . 50082 1 91 . 1 . 1 20 20 SER N N 15 117.808 0.048 . 1 . . 72 . . 20 SER N . 50082 1 92 . 1 . 1 21 21 PHE H H 1 8.648 0.007 . 1 . . 39 . . 21 PHE H . 50082 1 93 . 1 . 1 21 21 PHE C C 13 173.741 0.052 . 1 . . 785 . . 21 PHE C . 50082 1 94 . 1 . 1 21 21 PHE CA C 13 56.643 0.109 . 1 . . 306 . . 21 PHE CA . 50082 1 95 . 1 . 1 21 21 PHE CB C 13 39.732 0.096 . 1 . . 305 . . 21 PHE CB . 50082 1 96 . 1 . 1 21 21 PHE N N 15 116.390 0.153 . 1 . . 38 . . 21 PHE N . 50082 1 97 . 1 . 1 22 22 LYS H H 1 9.611 0.004 . 1 . . 99 . . 22 LYS H . 50082 1 98 . 1 . 1 22 22 LYS C C 13 175.788 0.063 . 1 . . 786 . . 22 LYS C . 50082 1 99 . 1 . 1 22 22 LYS CA C 13 53.159 0.165 . 1 . . 307 . . 22 LYS CA . 50082 1 100 . 1 . 1 22 22 LYS CB C 13 34.724 0.062 . 1 . . 308 . . 22 LYS CB . 50082 1 101 . 1 . 1 22 22 LYS N N 15 121.958 0.035 . 1 . . 98 . . 22 LYS N . 50082 1 102 . 1 . 1 23 23 ARG H H 1 9.062 0.012 . 1 . . 103 . . 23 ARG H . 50082 1 103 . 1 . 1 23 23 ARG C C 13 177.114 0.025 . 1 . . 787 . . 23 ARG C . 50082 1 104 . 1 . 1 23 23 ARG CA C 13 57.977 0.063 . 1 . . 310 . . 23 ARG CA . 50082 1 105 . 1 . 1 23 23 ARG CB C 13 29.292 0.07 . 1 . . 309 . . 23 ARG CB . 50082 1 106 . 1 . 1 23 23 ARG N N 15 121.326 0.055 . 1 . . 102 . . 23 ARG N . 50082 1 107 . 1 . 1 24 24 GLY H H 1 8.896 0.004 . 1 . . 93 . . 24 GLY H . 50082 1 108 . 1 . 1 24 24 GLY C C 13 174.139 0.048 . 1 . . 788 . . 24 GLY C . 50082 1 109 . 1 . 1 24 24 GLY CA C 13 44.581 0.108 . 1 . . 311 . . 24 GLY CA . 50082 1 110 . 1 . 1 24 24 GLY N N 15 115.527 0.065 . 1 . . 92 . . 24 GLY N . 50082 1 111 . 1 . 1 25 25 ASP H H 1 8.469 0.005 . 1 . . 89 . . 25 ASP H . 50082 1 112 . 1 . 1 25 25 ASP C C 13 174.867 0.068 . 1 . . 789 . . 25 ASP C . 50082 1 113 . 1 . 1 25 25 ASP CA C 13 55.708 0.138 . 1 . . 810 . . 25 ASP CA . 50082 1 114 . 1 . 1 25 25 ASP CB C 13 41.117 0.085 . 1 . . 809 . . 25 ASP CB . 50082 1 115 . 1 . 1 25 25 ASP N N 15 122.536 0.073 . 1 . . 88 . . 25 ASP N . 50082 1 116 . 1 . 1 26 26 ILE H H 1 8.047 0.007 . 1 . . 684 . . 26 ILE H . 50082 1 117 . 1 . 1 26 26 ILE C C 13 175.898 0.018 . 1 . . 790 . . 26 ILE C . 50082 1 118 . 1 . 1 26 26 ILE CA C 13 59.281 0.122 . 1 . . 811 . . 26 ILE CA . 50082 1 119 . 1 . 1 26 26 ILE CB C 13 36.558 0.086 . 1 . . 815 . . 26 ILE CB . 50082 1 120 . 1 . 1 26 26 ILE N N 15 120.140 0.04 . 1 . . 685 . . 26 ILE N . 50082 1 121 . 1 . 1 27 27 LEU H H 1 8.903 0.005 . 1 . . 716 . . 27 LEU H . 50082 1 122 . 1 . 1 27 27 LEU C C 13 175.387 0.033 . 1 . . 791 . . 27 LEU C . 50082 1 123 . 1 . 1 27 27 LEU CA C 13 53.595 0.13 . 1 . . 813 . . 27 LEU CA . 50082 1 124 . 1 . 1 27 27 LEU CB C 13 43.504 0.071 . 1 . . 812 . . 27 LEU CB . 50082 1 125 . 1 . 1 27 27 LEU N N 15 128.419 0.046 . 1 . . 717 . . 27 LEU N . 50082 1 126 . 1 . 1 28 28 LYS H H 1 8.027 0.004 . 1 . . 702 . . 28 LYS H . 50082 1 127 . 1 . 1 28 28 LYS C C 13 175.771 0.037 . 1 . . 792 . . 28 LYS C . 50082 1 128 . 1 . 1 28 28 LYS CA C 13 54.870 0.045 . 1 . . 814 . . 28 LYS CA . 50082 1 129 . 1 . 1 28 28 LYS CB C 13 32.371 0.052 . 1 . . 863 . . 28 LYS CB . 50082 1 130 . 1 . 1 28 28 LYS N N 15 121.341 0.059 . 1 . . 703 . . 28 LYS N . 50082 1 131 . 1 . 1 29 29 VAL H H 1 8.724 0.012 . 1 . . 674 . . 29 VAL H . 50082 1 132 . 1 . 1 29 29 VAL C C 13 175.789 0.027 . 1 . . 793 . . 29 VAL C . 50082 1 133 . 1 . 1 29 29 VAL CA C 13 62.618 0.029 . 1 . . 816 . . 29 VAL CA . 50082 1 134 . 1 . 1 29 29 VAL CB C 13 31.377 0.063 . 1 . . 864 . . 29 VAL CB . 50082 1 135 . 1 . 1 29 29 VAL N N 15 125.844 0.061 . 1 . . 675 . . 29 VAL N . 50082 1 136 . 1 . 1 30 30 LEU H H 1 8.813 0.003 . 1 . . 666 . . 30 LEU H . 50082 1 137 . 1 . 1 30 30 LEU C C 13 177.274 . . 1 . . 718 . . 30 LEU C . 50082 1 138 . 1 . 1 30 30 LEU CA C 13 54.517 0.033 . 1 . . 866 . . 30 LEU CA . 50082 1 139 . 1 . 1 30 30 LEU CB C 13 41.424 0.05 . 1 . . 865 . . 30 LEU CB . 50082 1 140 . 1 . 1 30 30 LEU N N 15 128.019 0.039 . 1 . . 667 . . 30 LEU N . 50082 1 141 . 1 . 1 32 32 GLU C C 13 176.445 0.017 . 1 . . 794 . . 32 GLU C . 50082 1 142 . 1 . 1 32 32 GLU CA C 13 54.998 . . 1 . . 817 . . 32 GLU CA . 50082 1 143 . 1 . 1 33 33 GLU H H 1 8.551 0.015 . 1 . . 163 . . 33 GLU H . 50082 1 144 . 1 . 1 33 33 GLU CA C 13 54.673 . . 1 . . 818 . . 33 GLU CA . 50082 1 145 . 1 . 1 33 33 GLU N N 15 125.207 0.11 . 1 . . 162 . . 33 GLU N . 50082 1 146 . 1 . 1 37 37 ASN C C 13 174.582 . . 1 . . 898 . . 37 ASN C . 50082 1 147 . 1 . 1 37 37 ASN CA C 13 56.341 . . 1 . . 854 . . 37 ASN CA . 50082 1 148 . 1 . 1 37 37 ASN CB C 13 38.441 . . 1 . . 853 . . 37 ASN CB . 50082 1 149 . 1 . 1 38 38 TRP H H 1 7.957 0.01 . 1 . . 849 . . 38 TRP H . 50082 1 150 . 1 . 1 38 38 TRP C C 13 174.728 0.015 . 1 . . 795 . . 38 TRP C . 50082 1 151 . 1 . 1 38 38 TRP CA C 13 56.308 . . 1 . . 867 . . 38 TRP CA . 50082 1 152 . 1 . 1 38 38 TRP CB C 13 32.441 . . 1 . . 860 . . 38 TRP CB . 50082 1 153 . 1 . 1 38 38 TRP N N 15 121.558 0.041 . 1 . . 850 . . 38 TRP N . 50082 1 154 . 1 . 1 39 39 TYR H H 1 9.114 0.002 . 1 . . 25 . . 39 TYR H . 50082 1 155 . 1 . 1 39 39 TYR C C 13 176.054 0.046 . 1 . . 664 . . 39 TYR C . 50082 1 156 . 1 . 1 39 39 TYR CA C 13 55.579 0.014 . 1 . . 665 . . 39 TYR CA . 50082 1 157 . 1 . 1 39 39 TYR CB C 13 41.661 0.117 . 1 . . 820 . . 39 TYR CB . 50082 1 158 . 1 . 1 39 39 TYR N N 15 117.804 0.112 . 1 . . 24 . . 39 TYR N . 50082 1 159 . 1 . 1 40 40 LYS H H 1 9.186 0.005 . 1 . . 145 . . 40 LYS H . 50082 1 160 . 1 . 1 40 40 LYS C C 13 174.726 0.048 . 1 . . 796 . . 40 LYS C . 50082 1 161 . 1 . 1 40 40 LYS CA C 13 55.800 0.044 . 1 . . 819 . . 40 LYS CA . 50082 1 162 . 1 . 1 40 40 LYS CB C 13 32.408 0.101 . 1 . . 313 . . 40 LYS CB . 50082 1 163 . 1 . 1 40 40 LYS N N 15 123.090 0.053 . 1 . . 144 . . 40 LYS N . 50082 1 164 . 1 . 1 41 41 ALA H H 1 9.140 0.005 . 1 . . 275 . . 41 ALA H . 50082 1 165 . 1 . 1 41 41 ALA C C 13 174.057 0.016 . 1 . . 315 . . 41 ALA C . 50082 1 166 . 1 . 1 41 41 ALA CA C 13 50.134 0.131 . 1 . . 314 . . 41 ALA CA . 50082 1 167 . 1 . 1 41 41 ALA CB C 13 24.941 0.082 . 1 . . 312 . . 41 ALA CB . 50082 1 168 . 1 . 1 41 41 ALA N N 15 129.492 0.044 . 1 . . 274 . . 41 ALA N . 50082 1 169 . 1 . 1 42 42 GLU H H 1 8.719 0.004 . 1 . . 211 . . 42 GLU H . 50082 1 170 . 1 . 1 42 42 GLU C C 13 175.358 0.025 . 1 . . 318 . . 42 GLU C . 50082 1 171 . 1 . 1 42 42 GLU CA C 13 54.257 0.015 . 1 . . 317 . . 42 GLU CA . 50082 1 172 . 1 . 1 42 42 GLU CB C 13 33.501 0.078 . 1 . . 316 . . 42 GLU CB . 50082 1 173 . 1 . 1 42 42 GLU N N 15 117.930 0.073 . 1 . . 210 . . 42 GLU N . 50082 1 174 . 1 . 1 43 43 LEU H H 1 8.820 0.007 . 1 . . 688 . . 43 LEU H . 50082 1 175 . 1 . 1 43 43 LEU CA C 13 54.612 0.032 . 1 . . 869 . . 43 LEU CA . 50082 1 176 . 1 . 1 43 43 LEU CB C 13 44.843 0.125 . 1 . . 868 . . 43 LEU CB . 50082 1 177 . 1 . 1 43 43 LEU N N 15 125.374 0.052 . 1 . . 689 . . 43 LEU N . 50082 1 178 . 1 . 1 44 44 ASN H H 1 9.642 . . 1 . . 851 . . 44 ASN H . 50082 1 179 . 1 . 1 44 44 ASN C C 13 175.198 . . 1 . . 797 . . 44 ASN C . 50082 1 180 . 1 . 1 44 44 ASN N N 15 127.821 . . 1 . . 852 . . 44 ASN N . 50082 1 181 . 1 . 1 45 45 GLY H H 1 9.005 0.005 . 1 . . 231 . . 45 GLY H . 50082 1 182 . 1 . 1 45 45 GLY C C 13 173.655 0.009 . 1 . . 737 . . 45 GLY C . 50082 1 183 . 1 . 1 45 45 GLY CA C 13 45.137 0.075 . 1 . . 319 . . 45 GLY CA . 50082 1 184 . 1 . 1 45 45 GLY N N 15 105.336 0.022 . 1 . . 230 . . 45 GLY N . 50082 1 185 . 1 . 1 46 46 LYS H H 1 7.750 0.004 . 1 . . 191 . . 46 LYS H . 50082 1 186 . 1 . 1 46 46 LYS C C 13 173.782 0.039 . 1 . . 322 . . 46 LYS C . 50082 1 187 . 1 . 1 46 46 LYS CA C 13 54.485 0.071 . 1 . . 321 . . 46 LYS CA . 50082 1 188 . 1 . 1 46 46 LYS CB C 13 34.146 0.097 . 1 . . 320 . . 46 LYS CB . 50082 1 189 . 1 . 1 46 46 LYS N N 15 122.500 0.051 . 1 . . 190 . . 46 LYS N . 50082 1 190 . 1 . 1 47 47 ASP H H 1 8.234 0.005 . 1 . . 147 . . 47 ASP H . 50082 1 191 . 1 . 1 47 47 ASP C C 13 175.933 0.033 . 1 . . 325 . . 47 ASP C . 50082 1 192 . 1 . 1 47 47 ASP CA C 13 51.560 0.074 . 1 . . 324 . . 47 ASP CA . 50082 1 193 . 1 . 1 47 47 ASP CB C 13 44.039 0.031 . 1 . . 323 . . 47 ASP CB . 50082 1 194 . 1 . 1 47 47 ASP N N 15 119.909 0.056 . 1 . . 146 . . 47 ASP N . 50082 1 195 . 1 . 1 48 48 GLY H H 1 8.529 0.006 . 1 . . 137 . . 48 GLY H . 50082 1 196 . 1 . 1 48 48 GLY C C 13 171.196 0.013 . 1 . . 330 . . 48 GLY C . 50082 1 197 . 1 . 1 48 48 GLY CA C 13 44.907 0.101 . 1 . . 326 . . 48 GLY CA . 50082 1 198 . 1 . 1 48 48 GLY N N 15 105.119 0.078 . 1 . . 136 . . 48 GLY N . 50082 1 199 . 1 . 1 49 49 PHE H H 1 9.113 0.007 . 1 . . 243 . . 49 PHE H . 50082 1 200 . 1 . 1 49 49 PHE C C 13 176.786 0.046 . 1 . . 329 . . 49 PHE C . 50082 1 201 . 1 . 1 49 49 PHE CA C 13 57.790 0.102 . 1 . . 328 . . 49 PHE CA . 50082 1 202 . 1 . 1 49 49 PHE CB C 13 40.407 0.009 . 1 . . 327 . . 49 PHE CB . 50082 1 203 . 1 . 1 49 49 PHE N N 15 119.790 0.05 . 1 . . 242 . . 49 PHE N . 50082 1 204 . 1 . 1 50 50 ILE H H 1 9.579 0.004 . 1 . . 69 . . 50 ILE H . 50082 1 205 . 1 . 1 50 50 ILE C C 13 172.631 0.024 . 1 . . 331 . . 50 ILE C . 50082 1 206 . 1 . 1 50 50 ILE CA C 13 57.110 0.053 . 1 . . 333 . . 50 ILE CA . 50082 1 207 . 1 . 1 50 50 ILE CB C 13 40.077 0.03 . 1 . . 332 . . 50 ILE CB . 50082 1 208 . 1 . 1 50 50 ILE N N 15 113.831 0.03 . 1 . . 68 . . 50 ILE N . 50082 1 209 . 1 . 1 51 51 PRO C C 13 178.658 . . 1 . . 798 . . 51 PRO C . 50082 1 210 . 1 . 1 51 51 PRO CA C 13 61.207 0.029 . 1 . . 822 . . 51 PRO CA . 50082 1 211 . 1 . 1 51 51 PRO CB C 13 29.858 0.059 . 1 . . 821 . . 51 PRO CB . 50082 1 212 . 1 . 1 52 52 LYS H H 1 7.746 0.003 . 1 . . 706 . . 52 LYS H . 50082 1 213 . 1 . 1 52 52 LYS C C 13 177.576 0.024 . 1 . . 799 . . 52 LYS C . 50082 1 214 . 1 . 1 52 52 LYS CA C 13 59.051 . . 1 . . 870 . . 52 LYS CA . 50082 1 215 . 1 . 1 52 52 LYS CB C 13 31.793 . . 1 . . 871 . . 52 LYS CB . 50082 1 216 . 1 . 1 52 52 LYS N N 15 123.385 0.07 . 1 . . 707 . . 52 LYS N . 50082 1 217 . 1 . 1 53 53 ASN H H 1 8.433 0.003 . 1 . . 217 . . 53 ASN H . 50082 1 218 . 1 . 1 53 53 ASN C C 13 175.618 0.04 . 1 . . 738 . . 53 ASN C . 50082 1 219 . 1 . 1 53 53 ASN CA C 13 53.696 0.053 . 1 . . 872 . . 53 ASN CA . 50082 1 220 . 1 . 1 53 53 ASN CB C 13 36.665 0.073 . 1 . . 823 . . 53 ASN CB . 50082 1 221 . 1 . 1 53 53 ASN N N 15 112.026 0.037 . 1 . . 216 . . 53 ASN N . 50082 1 222 . 1 . 1 54 54 TYR H H 1 7.741 0.008 . 1 . . 678 . . 54 TYR H . 50082 1 223 . 1 . 1 54 54 TYR C C 13 175.015 . . 1 . . 800 . . 54 TYR C . 50082 1 224 . 1 . 1 54 54 TYR CA C 13 58.286 0.01 . 1 . . 730 . . 54 TYR CA . 50082 1 225 . 1 . 1 54 54 TYR CB C 13 38.279 0.092 . 1 . . 824 . . 54 TYR CB . 50082 1 226 . 1 . 1 54 54 TYR N N 15 119.264 0.071 . 1 . . 679 . . 54 TYR N . 50082 1 227 . 1 . 1 55 55 ILE H H 1 7.325 0.004 . 1 . . 676 . . 55 ILE H . 50082 1 228 . 1 . 1 55 55 ILE C C 13 174.088 0.027 . 1 . . 739 . . 55 ILE C . 50082 1 229 . 1 . 1 55 55 ILE CA C 13 58.154 0.04 . 1 . . 825 . . 55 ILE CA . 50082 1 230 . 1 . 1 55 55 ILE CB C 13 41.035 0.074 . 1 . . 826 . . 55 ILE CB . 50082 1 231 . 1 . 1 55 55 ILE N N 15 112.254 0.042 . 1 . . 677 . . 55 ILE N . 50082 1 232 . 1 . 1 56 56 GLU H H 1 8.723 0.003 . 1 . . 698 . . 56 GLU H . 50082 1 233 . 1 . 1 56 56 GLU C C 13 175.589 0.051 . 1 . . 801 . . 56 GLU C . 50082 1 234 . 1 . 1 56 56 GLU CA C 13 54.154 0.083 . 1 . . 873 . . 56 GLU CA . 50082 1 235 . 1 . 1 56 56 GLU CB C 13 31.796 . . 1 . . 874 . . 56 GLU CB . 50082 1 236 . 1 . 1 56 56 GLU N N 15 121.579 0.051 . 1 . . 699 . . 56 GLU N . 50082 1 237 . 1 . 1 65 65 GLY C C 13 174.712 0.016 . 1 . . 804 . . 65 GLY C . 50082 1 238 . 1 . 1 65 65 GLY CA C 13 46.539 0.085 . 1 . . 763 . . 65 GLY CA . 50082 1 239 . 1 . 1 66 66 LYS H H 1 8.621 0.012 . 1 . . 731 . . 66 LYS H . 50082 1 240 . 1 . 1 66 66 LYS C C 13 175.965 0.017 . 1 . . 802 . . 66 LYS C . 50082 1 241 . 1 . 1 66 66 LYS CA C 13 55.484 0.084 . 1 . . 827 . . 66 LYS CA . 50082 1 242 . 1 . 1 66 66 LYS CB C 13 30.387 0.099 . 1 . . 764 . . 66 LYS CB . 50082 1 243 . 1 . 1 66 66 LYS N N 15 127.494 0.088 . 1 . . 732 . . 66 LYS N . 50082 1 244 . 1 . 1 67 67 ILE H H 1 7.293 0.007 . 1 . . 690 . . 67 ILE H . 50082 1 245 . 1 . 1 67 67 ILE C C 13 173.289 . . 1 . . 803 . . 67 ILE C . 50082 1 246 . 1 . 1 67 67 ILE CA C 13 57.557 0.057 . 1 . . 829 . . 67 ILE CA . 50082 1 247 . 1 . 1 67 67 ILE CB C 13 38.856 0.033 . 1 . . 828 . . 67 ILE CB . 50082 1 248 . 1 . 1 67 67 ILE N N 15 120.504 0.055 . 1 . . 691 . . 67 ILE N . 50082 1 249 . 1 . 1 68 68 PRO C C 13 177.487 0.044 . 1 . . 740 . . 68 PRO C . 50082 1 250 . 1 . 1 68 68 PRO CA C 13 62.000 0.015 . 1 . . 875 . . 68 PRO CA . 50082 1 251 . 1 . 1 68 68 PRO CB C 13 32.087 0.122 . 1 . . 876 . . 68 PRO CB . 50082 1 252 . 1 . 1 69 69 ARG H H 1 8.905 0.003 . 1 . . 700 . . 69 ARG H . 50082 1 253 . 1 . 1 69 69 ARG C C 13 178.084 0.022 . 1 . . 741 . . 69 ARG C . 50082 1 254 . 1 . 1 69 69 ARG CA C 13 60.090 0.161 . 1 . . 830 . . 69 ARG CA . 50082 1 255 . 1 . 1 69 69 ARG CB C 13 29.327 0.083 . 1 . . 831 . . 69 ARG CB . 50082 1 256 . 1 . 1 69 69 ARG N N 15 125.343 0.038 . 1 . . 701 . . 69 ARG N . 50082 1 257 . 1 . 1 70 70 ALA H H 1 8.920 0.004 . 1 . . 283 . . 70 ALA H . 50082 1 258 . 1 . 1 70 70 ALA C C 13 180.642 0.023 . 1 . . 339 . . 70 ALA C . 50082 1 259 . 1 . 1 70 70 ALA CA C 13 54.873 0.053 . 1 . . 335 . . 70 ALA CA . 50082 1 260 . 1 . 1 70 70 ALA CB C 13 17.682 0.078 . 1 . . 334 . . 70 ALA CB . 50082 1 261 . 1 . 1 70 70 ALA N N 15 118.369 0.054 . 1 . . 282 . . 70 ALA N . 50082 1 262 . 1 . 1 71 71 LYS H H 1 6.853 0.007 . 1 . . 161 . . 71 LYS H . 50082 1 263 . 1 . 1 71 71 LYS C C 13 178.571 0.035 . 1 . . 338 . . 71 LYS C . 50082 1 264 . 1 . 1 71 71 LYS CA C 13 56.948 0.072 . 1 . . 336 . . 71 LYS CA . 50082 1 265 . 1 . 1 71 71 LYS CB C 13 30.732 0.118 . 1 . . 337 . . 71 LYS CB . 50082 1 266 . 1 . 1 71 71 LYS N N 15 117.872 0.04 . 1 . . 160 . . 71 LYS N . 50082 1 267 . 1 . 1 72 72 ALA H H 1 7.873 0.005 . 1 . . 199 . . 72 ALA H . 50082 1 268 . 1 . 1 72 72 ALA C C 13 179.136 0.019 . 1 . . 340 . . 72 ALA C . 50082 1 269 . 1 . 1 72 72 ALA CA C 13 54.526 0.042 . 1 . . 341 . . 72 ALA CA . 50082 1 270 . 1 . 1 72 72 ALA CB C 13 17.456 0.077 . 1 . . 342 . . 72 ALA CB . 50082 1 271 . 1 . 1 72 72 ALA N N 15 122.426 0.064 . 1 . . 198 . . 72 ALA N . 50082 1 272 . 1 . 1 73 73 GLU H H 1 8.228 0.003 . 1 . . 21 . . 73 GLU H . 50082 1 273 . 1 . 1 73 73 GLU C C 13 178.526 0.019 . 1 . . 343 . . 73 GLU C . 50082 1 274 . 1 . 1 73 73 GLU CA C 13 59.684 0.06 . 1 . . 344 . . 73 GLU CA . 50082 1 275 . 1 . 1 73 73 GLU CB C 13 27.983 0.121 . 1 . . 345 . . 73 GLU CB . 50082 1 276 . 1 . 1 73 73 GLU N N 15 115.639 0.04 . 1 . . 20 . . 73 GLU N . 50082 1 277 . 1 . 1 74 74 GLU H H 1 7.904 0.004 . 1 . . 37 . . 74 GLU H . 50082 1 278 . 1 . 1 74 74 GLU C C 13 179.152 0.027 . 1 . . 348 . . 74 GLU C . 50082 1 279 . 1 . 1 74 74 GLU CA C 13 59.322 0.143 . 1 . . 346 . . 74 GLU CA . 50082 1 280 . 1 . 1 74 74 GLU CB C 13 29.025 0.111 . 1 . . 347 . . 74 GLU CB . 50082 1 281 . 1 . 1 74 74 GLU N N 15 121.668 0.064 . 1 . . 36 . . 74 GLU N . 50082 1 282 . 1 . 1 75 75 MET H H 1 7.981 0.003 . 1 . . 119 . . 75 MET H . 50082 1 283 . 1 . 1 75 75 MET C C 13 179.666 0.018 . 1 . . 349 . . 75 MET C . 50082 1 284 . 1 . 1 75 75 MET CA C 13 58.615 0.108 . 1 . . 351 . . 75 MET CA . 50082 1 285 . 1 . 1 75 75 MET CB C 13 32.955 0.133 . 1 . . 350 . . 75 MET CB . 50082 1 286 . 1 . 1 75 75 MET N N 15 117.294 0.039 . 1 . . 118 . . 75 MET N . 50082 1 287 . 1 . 1 76 76 LEU H H 1 8.089 0.003 . 1 . . 83 . . 76 LEU H . 50082 1 288 . 1 . 1 76 76 LEU C C 13 179.135 0.028 . 1 . . 352 . . 76 LEU C . 50082 1 289 . 1 . 1 76 76 LEU CA C 13 56.791 0.107 . 1 . . 353 . . 76 LEU CA . 50082 1 290 . 1 . 1 76 76 LEU CB C 13 41.352 0.128 . 1 . . 877 . . 76 LEU CB . 50082 1 291 . 1 . 1 76 76 LEU N N 15 118.148 0.05 . 1 . . 82 . . 76 LEU N . 50082 1 292 . 1 . 1 77 77 SER H H 1 8.253 0.005 . 1 . . 101 . . 77 SER H . 50082 1 293 . 1 . 1 77 77 SER C C 13 175.381 0.03 . 1 . . 357 . . 77 SER C . 50082 1 294 . 1 . 1 77 77 SER CA C 13 61.343 0.137 . 1 . . 354 . . 77 SER CA . 50082 1 295 . 1 . 1 77 77 SER CB C 13 62.761 0.109 . 1 . . 355 . . 77 SER CB . 50082 1 296 . 1 . 1 77 77 SER N N 15 114.757 0.063 . 1 . . 100 . . 77 SER N . 50082 1 297 . 1 . 1 78 78 LYS H H 1 6.840 0.006 . 1 . . 59 . . 78 LYS H . 50082 1 298 . 1 . 1 78 78 LYS C C 13 177.540 0.024 . 1 . . 356 . . 78 LYS C . 50082 1 299 . 1 . 1 78 78 LYS CA C 13 55.672 0.15 . 1 . . 359 . . 78 LYS CA . 50082 1 300 . 1 . 1 78 78 LYS CB C 13 32.135 0.058 . 1 . . 358 . . 78 LYS CB . 50082 1 301 . 1 . 1 78 78 LYS N N 15 117.820 0.051 . 1 . . 58 . . 78 LYS N . 50082 1 302 . 1 . 1 79 79 GLN H H 1 7.352 0.005 . 1 . . 77 . . 79 GLN H . 50082 1 303 . 1 . 1 79 79 GLN C C 13 176.044 0.042 . 1 . . 360 . . 79 GLN C . 50082 1 304 . 1 . 1 79 79 GLN CA C 13 54.460 0.105 . 1 . . 362 . . 79 GLN CA . 50082 1 305 . 1 . 1 79 79 GLN CB C 13 27.999 0.101 . 1 . . 361 . . 79 GLN CB . 50082 1 306 . 1 . 1 79 79 GLN N N 15 118.553 0.041 . 1 . . 76 . . 79 GLN N . 50082 1 307 . 1 . 1 80 80 ARG H H 1 8.673 0.009 . 1 . . 704 . . 80 ARG H . 50082 1 308 . 1 . 1 80 80 ARG C C 13 176.895 0.022 . 1 . . 363 . . 80 ARG C . 50082 1 309 . 1 . 1 80 80 ARG CA C 13 56.793 0.099 . 1 . . 367 . . 80 ARG CA . 50082 1 310 . 1 . 1 80 80 ARG CB C 13 30.113 0.074 . 1 . . 368 . . 80 ARG CB . 50082 1 311 . 1 . 1 80 80 ARG N N 15 119.254 0.063 . 1 . . 705 . . 80 ARG N . 50082 1 312 . 1 . 1 81 81 HIS H H 1 7.695 0.007 . 1 . . 115 . . 81 HIS H . 50082 1 313 . 1 . 1 81 81 HIS C C 13 174.539 0.013 . 1 . . 364 . . 81 HIS C . 50082 1 314 . 1 . 1 81 81 HIS CA C 13 54.776 0.021 . 1 . . 366 . . 81 HIS CA . 50082 1 315 . 1 . 1 81 81 HIS CB C 13 31.925 0.08 . 1 . . 365 . . 81 HIS CB . 50082 1 316 . 1 . 1 81 81 HIS N N 15 117.333 0.062 . 1 . . 114 . . 81 HIS N . 50082 1 317 . 1 . 1 82 82 ASP H H 1 8.523 0.007 . 1 . . 49 . . 82 ASP H . 50082 1 318 . 1 . 1 82 82 ASP C C 13 177.848 0.042 . 1 . . 371 . . 82 ASP C . 50082 1 319 . 1 . 1 82 82 ASP CA C 13 55.369 0.07 . 1 . . 369 . . 82 ASP CA . 50082 1 320 . 1 . 1 82 82 ASP CB C 13 40.416 0.062 . 1 . . 370 . . 82 ASP CB . 50082 1 321 . 1 . 1 82 82 ASP N N 15 122.821 0.091 . 1 . . 48 . . 82 ASP N . 50082 1 322 . 1 . 1 83 83 GLY H H 1 9.430 0.005 . 1 . . 139 . . 83 GLY H . 50082 1 323 . 1 . 1 83 83 GLY C C 13 174.637 0.031 . 1 . . 721 . . 83 GLY C . 50082 1 324 . 1 . 1 83 83 GLY CA C 13 45.152 0.09 . 1 . . 372 . . 83 GLY CA . 50082 1 325 . 1 . 1 83 83 GLY N N 15 111.883 0.044 . 1 . . 138 . . 83 GLY N . 50082 1 326 . 1 . 1 84 84 ALA H H 1 7.446 0.006 . 1 . . 121 . . 84 ALA H . 50082 1 327 . 1 . 1 84 84 ALA C C 13 177.517 0.038 . 1 . . 719 . . 84 ALA C . 50082 1 328 . 1 . 1 84 84 ALA CA C 13 52.764 0.104 . 1 . . 373 . . 84 ALA CA . 50082 1 329 . 1 . 1 84 84 ALA CB C 13 17.704 0.084 . 1 . . 374 . . 84 ALA CB . 50082 1 330 . 1 . 1 84 84 ALA N N 15 125.205 0.088 . 1 . . 120 . . 84 ALA N . 50082 1 331 . 1 . 1 85 85 PHE H H 1 7.289 0.007 . 1 . . 696 . . 85 PHE H . 50082 1 332 . 1 . 1 85 85 PHE C C 13 171.678 0.04 . 1 . . 720 . . 85 PHE C . 50082 1 333 . 1 . 1 85 85 PHE CA C 13 55.386 0.051 . 1 . . 832 . . 85 PHE CA . 50082 1 334 . 1 . 1 85 85 PHE CB C 13 43.630 0.11 . 1 . . 878 . . 85 PHE CB . 50082 1 335 . 1 . 1 85 85 PHE N N 15 118.704 0.06 . 1 . . 697 . . 85 PHE N . 50082 1 336 . 1 . 1 86 86 LEU H H 1 8.851 0.006 . 1 . . 215 . . 86 LEU H . 50082 1 337 . 1 . 1 86 86 LEU C C 13 175.713 0.041 . 1 . . 742 . . 86 LEU C . 50082 1 338 . 1 . 1 86 86 LEU CA C 13 54.147 0.134 . 1 . . 376 . . 86 LEU CA . 50082 1 339 . 1 . 1 86 86 LEU CB C 13 44.678 0.072 . 1 . . 375 . . 86 LEU CB . 50082 1 340 . 1 . 1 86 86 LEU N N 15 112.914 0.045 . 1 . . 214 . . 86 LEU N . 50082 1 341 . 1 . 1 87 87 ILE H H 1 9.377 0.007 . 1 . . 203 . . 87 ILE H . 50082 1 342 . 1 . 1 87 87 ILE C C 13 173.487 0.058 . 1 . . 743 . . 87 ILE C . 50082 1 343 . 1 . 1 87 87 ILE CA C 13 59.625 0.066 . 1 . . 378 . . 87 ILE CA . 50082 1 344 . 1 . 1 87 87 ILE CB C 13 38.708 0.128 . 1 . . 377 . . 87 ILE CB . 50082 1 345 . 1 . 1 87 87 ILE N N 15 120.258 0.064 . 1 . . 202 . . 87 ILE N . 50082 1 346 . 1 . 1 88 88 ARG H H 1 9.090 0.007 . 1 . . 209 . . 88 ARG H . 50082 1 347 . 1 . 1 88 88 ARG C C 13 173.713 0.027 . 1 . . 383 . . 88 ARG C . 50082 1 348 . 1 . 1 88 88 ARG CA C 13 51.928 0.16 . 1 . . 379 . . 88 ARG CA . 50082 1 349 . 1 . 1 88 88 ARG CB C 13 33.211 0.073 . 1 . . 380 . . 88 ARG CB . 50082 1 350 . 1 . 1 88 88 ARG N N 15 123.612 0.066 . 1 . . 208 . . 88 ARG N . 50082 1 351 . 1 . 1 89 89 GLU H H 1 8.550 0.006 . 1 . . 255 . . 89 GLU H . 50082 1 352 . 1 . 1 89 89 GLU C C 13 175.893 0.019 . 1 . . 384 . . 89 GLU C . 50082 1 353 . 1 . 1 89 89 GLU CA C 13 54.316 0.071 . 1 . . 382 . . 89 GLU CA . 50082 1 354 . 1 . 1 89 89 GLU CB C 13 31.755 0.058 . 1 . . 381 . . 89 GLU CB . 50082 1 355 . 1 . 1 89 89 GLU N N 15 124.686 0.056 . 1 . . 254 . . 89 GLU N . 50082 1 356 . 1 . 1 90 90 SER H H 1 8.343 0.004 . 1 . . 205 . . 90 SER H . 50082 1 357 . 1 . 1 90 90 SER C C 13 175.181 0.026 . 1 . . 385 . . 90 SER C . 50082 1 358 . 1 . 1 90 90 SER CA C 13 57.854 0.123 . 1 . . 386 . . 90 SER CA . 50082 1 359 . 1 . 1 90 90 SER CB C 13 63.380 0.047 . 1 . . 387 . . 90 SER CB . 50082 1 360 . 1 . 1 90 90 SER N N 15 120.412 0.053 . 1 . . 204 . . 90 SER N . 50082 1 361 . 1 . 1 91 91 GLU H H 1 8.830 0.004 . 1 . . 733 . . 91 GLU H . 50082 1 362 . 1 . 1 91 91 GLU N N 15 125.298 0.018 . 1 . . 734 . . 91 GLU N . 50082 1 363 . 1 . 1 92 92 SER C C 13 173.982 0.025 . 1 . . 392 . . 92 SER C . 50082 1 364 . 1 . 1 92 92 SER CA C 13 58.250 0.015 . 1 . . 390 . . 92 SER CA . 50082 1 365 . 1 . 1 92 92 SER CB C 13 63.861 0.11 . 1 . . 391 . . 92 SER CB . 50082 1 366 . 1 . 1 93 93 ALA H H 1 7.342 0.006 . 1 . . 133 . . 93 ALA H . 50082 1 367 . 1 . 1 93 93 ALA C C 13 172.078 0.036 . 1 . . 393 . . 93 ALA C . 50082 1 368 . 1 . 1 93 93 ALA CA C 13 49.255 0.035 . 1 . . 389 . . 93 ALA CA . 50082 1 369 . 1 . 1 93 93 ALA CB C 13 18.921 0.042 . 1 . . 388 . . 93 ALA CB . 50082 1 370 . 1 . 1 93 93 ALA N N 15 126.473 0.063 . 1 . . 132 . . 93 ALA N . 50082 1 371 . 1 . 1 94 94 PRO C C 13 178.789 0.027 . 1 . . 397 . . 94 PRO C . 50082 1 372 . 1 . 1 94 94 PRO CA C 13 62.963 0.061 . 1 . . 396 . . 94 PRO CA . 50082 1 373 . 1 . 1 94 94 PRO CB C 13 30.888 0.083 . 1 . . 395 . . 94 PRO CB . 50082 1 374 . 1 . 1 95 95 GLY H H 1 9.778 0.004 . 1 . . 105 . . 95 GLY H . 50082 1 375 . 1 . 1 95 95 GLY C C 13 172.409 0.036 . 1 . . 398 . . 95 GLY C . 50082 1 376 . 1 . 1 95 95 GLY CA C 13 44.767 0.024 . 1 . . 394 . . 95 GLY CA . 50082 1 377 . 1 . 1 95 95 GLY N N 15 113.832 0.051 . 1 . . 104 . . 95 GLY N . 50082 1 378 . 1 . 1 96 96 ASP H H 1 7.550 0.003 . 1 . . 223 . . 96 ASP H . 50082 1 379 . 1 . 1 96 96 ASP C C 13 175.525 0.026 . 1 . . 401 . . 96 ASP C . 50082 1 380 . 1 . 1 96 96 ASP CA C 13 52.665 0.077 . 1 . . 399 . . 96 ASP CA . 50082 1 381 . 1 . 1 96 96 ASP CB C 13 41.295 0.105 . 1 . . 400 . . 96 ASP CB . 50082 1 382 . 1 . 1 96 96 ASP N N 15 121.019 0.06 . 1 . . 222 . . 96 ASP N . 50082 1 383 . 1 . 1 97 97 PHE H H 1 9.253 0.005 . 1 . . 185 . . 97 PHE H . 50082 1 384 . 1 . 1 97 97 PHE C C 13 175.661 0.021 . 1 . . 404 . . 97 PHE C . 50082 1 385 . 1 . 1 97 97 PHE CA C 13 56.530 0.057 . 1 . . 402 . . 97 PHE CA . 50082 1 386 . 1 . 1 97 97 PHE CB C 13 41.174 0.076 . 1 . . 403 . . 97 PHE CB . 50082 1 387 . 1 . 1 97 97 PHE N N 15 122.595 0.058 . 1 . . 184 . . 97 PHE N . 50082 1 388 . 1 . 1 98 98 SER H H 1 9.303 0.004 . 1 . . 247 . . 98 SER H . 50082 1 389 . 1 . 1 98 98 SER C C 13 171.352 0.06 . 1 . . 405 . . 98 SER C . 50082 1 390 . 1 . 1 98 98 SER CA C 13 57.944 0.101 . 1 . . 406 . . 98 SER CA . 50082 1 391 . 1 . 1 98 98 SER CB C 13 66.080 0.084 . 1 . . 407 . . 98 SER CB . 50082 1 392 . 1 . 1 98 98 SER N N 15 115.837 0.043 . 1 . . 246 . . 98 SER N . 50082 1 393 . 1 . 1 99 99 LEU H H 1 9.522 0.003 . 1 . . 175 . . 99 LEU H . 50082 1 394 . 1 . 1 99 99 LEU C C 13 175.293 0.03 . 1 . . 412 . . 99 LEU C . 50082 1 395 . 1 . 1 99 99 LEU CA C 13 53.669 0.097 . 1 . . 408 . . 99 LEU CA . 50082 1 396 . 1 . 1 99 99 LEU CB C 13 44.190 0.123 . 1 . . 409 . . 99 LEU CB . 50082 1 397 . 1 . 1 99 99 LEU N N 15 128.418 0.061 . 1 . . 174 . . 99 LEU N . 50082 1 398 . 1 . 1 100 100 SER H H 1 9.221 0.004 . 1 . . 233 . . 100 SER H . 50082 1 399 . 1 . 1 100 100 SER C C 13 172.556 0.028 . 1 . . 413 . . 100 SER C . 50082 1 400 . 1 . 1 100 100 SER CA C 13 58.413 0.073 . 1 . . 410 . . 100 SER CA . 50082 1 401 . 1 . 1 100 100 SER CB C 13 65.511 0.076 . 1 . . 411 . . 100 SER CB . 50082 1 402 . 1 . 1 100 100 SER N N 15 125.492 0.066 . 1 . . 232 . . 100 SER N . 50082 1 403 . 1 . 1 101 101 VAL H H 1 9.100 0.004 . 1 . . 97 . . 101 VAL H . 50082 1 404 . 1 . 1 101 101 VAL C C 13 173.758 0.034 . 1 . . 414 . . 101 VAL C . 50082 1 405 . 1 . 1 101 101 VAL CA C 13 59.057 0.141 . 1 . . 415 . . 101 VAL CA . 50082 1 406 . 1 . 1 101 101 VAL CB C 13 35.630 0.079 . 1 . . 416 . . 101 VAL CB . 50082 1 407 . 1 . 1 101 101 VAL N N 15 122.314 0.052 . 1 . . 96 . . 101 VAL N . 50082 1 408 . 1 . 1 102 102 LYS H H 1 9.151 0.004 . 1 . . 91 . . 102 LYS H . 50082 1 409 . 1 . 1 102 102 LYS C C 13 175.463 0.027 . 1 . . 417 . . 102 LYS C . 50082 1 410 . 1 . 1 102 102 LYS CA C 13 56.112 0.078 . 1 . . 419 . . 102 LYS CA . 50082 1 411 . 1 . 1 102 102 LYS CB C 13 33.893 0.137 . 1 . . 418 . . 102 LYS CB . 50082 1 412 . 1 . 1 102 102 LYS N N 15 129.421 0.054 . 1 . . 90 . . 102 LYS N . 50082 1 413 . 1 . 1 103 103 PHE H H 1 8.700 0.005 . 1 . . 253 . . 103 PHE H . 50082 1 414 . 1 . 1 103 103 PHE C C 13 175.113 0.012 . 1 . . 422 . . 103 PHE C . 50082 1 415 . 1 . 1 103 103 PHE CA C 13 58.328 0.068 . 1 . . 421 . . 103 PHE CA . 50082 1 416 . 1 . 1 103 103 PHE CB C 13 40.315 0.122 . 1 . . 420 . . 103 PHE CB . 50082 1 417 . 1 . 1 103 103 PHE N N 15 129.650 0.056 . 1 . . 252 . . 103 PHE N . 50082 1 418 . 1 . 1 104 104 GLY H H 1 9.262 0.004 . 1 . . 117 . . 104 GLY H . 50082 1 419 . 1 . 1 104 104 GLY C C 13 174.866 . . 1 . . 424 . . 104 GLY C . 50082 1 420 . 1 . 1 104 104 GLY CA C 13 46.290 0.035 . 1 . . 423 . . 104 GLY CA . 50082 1 421 . 1 . 1 104 104 GLY N N 15 120.622 0.056 . 1 . . 116 . . 104 GLY N . 50082 1 422 . 1 . 1 105 105 ASN C C 13 174.197 0.03 . 1 . . 425 . . 105 ASN C . 50082 1 423 . 1 . 1 105 105 ASN CA C 13 52.963 0.124 . 1 . . 861 . . 105 ASN CA . 50082 1 424 . 1 . 1 105 105 ASN CB C 13 38.311 0.122 . 1 . . 833 . . 105 ASN CB . 50082 1 425 . 1 . 1 106 106 ASP H H 1 7.833 0.003 . 1 . . 75 . . 106 ASP H . 50082 1 426 . 1 . 1 106 106 ASP C C 13 174.438 0.049 . 1 . . 428 . . 106 ASP C . 50082 1 427 . 1 . 1 106 106 ASP CA C 13 52.780 0.061 . 1 . . 427 . . 106 ASP CA . 50082 1 428 . 1 . 1 106 106 ASP CB C 13 44.409 0.097 . 1 . . 426 . . 106 ASP CB . 50082 1 429 . 1 . 1 106 106 ASP N N 15 119.596 0.039 . 1 . . 74 . . 106 ASP N . 50082 1 430 . 1 . 1 107 107 VAL H H 1 8.272 0.004 . 1 . . 111 . . 107 VAL H . 50082 1 431 . 1 . 1 107 107 VAL C C 13 174.840 0.041 . 1 . . 429 . . 107 VAL C . 50082 1 432 . 1 . 1 107 107 VAL CA C 13 61.181 0.055 . 1 . . 431 . . 107 VAL CA . 50082 1 433 . 1 . 1 107 107 VAL CB C 13 32.913 0.059 . 1 . . 430 . . 107 VAL CB . 50082 1 434 . 1 . 1 107 107 VAL N N 15 120.818 0.049 . 1 . . 110 . . 107 VAL N . 50082 1 435 . 1 . 1 108 108 GLN H H 1 8.813 0.005 . 1 . . 29 . . 108 GLN H . 50082 1 436 . 1 . 1 108 108 GLN C C 13 173.930 0.056 . 1 . . 432 . . 108 GLN C . 50082 1 437 . 1 . 1 108 108 GLN CA C 13 53.776 0.035 . 1 . . 434 . . 108 GLN CA . 50082 1 438 . 1 . 1 108 108 GLN CB C 13 30.884 0.092 . 1 . . 433 . . 108 GLN CB . 50082 1 439 . 1 . 1 108 108 GLN N N 15 125.683 0.061 . 1 . . 28 . . 108 GLN N . 50082 1 440 . 1 . 1 109 109 HIS H H 1 8.067 0.006 . 1 . . 55 . . 109 HIS H . 50082 1 441 . 1 . 1 109 109 HIS C C 13 175.163 0.028 . 1 . . 435 . . 109 HIS C . 50082 1 442 . 1 . 1 109 109 HIS CA C 13 54.066 0.127 . 1 . . 437 . . 109 HIS CA . 50082 1 443 . 1 . 1 109 109 HIS CB C 13 32.667 0.075 . 1 . . 436 . . 109 HIS CB . 50082 1 444 . 1 . 1 109 109 HIS N N 15 119.275 0.073 . 1 . . 54 . . 109 HIS N . 50082 1 445 . 1 . 1 110 110 PHE H H 1 9.785 0.003 . 1 . . 173 . . 110 PHE H . 50082 1 446 . 1 . 1 110 110 PHE C C 13 175.244 0.016 . 1 . . 744 . . 110 PHE C . 50082 1 447 . 1 . 1 110 110 PHE CA C 13 55.968 0.058 . 1 . . 439 . . 110 PHE CA . 50082 1 448 . 1 . 1 110 110 PHE CB C 13 41.093 0.047 . 1 . . 438 . . 110 PHE CB . 50082 1 449 . 1 . 1 110 110 PHE N N 15 123.546 0.052 . 1 . . 172 . . 110 PHE N . 50082 1 450 . 1 . 1 111 111 LYS H H 1 8.720 0.004 . 1 . . 281 . . 111 LYS H . 50082 1 451 . 1 . 1 111 111 LYS C C 13 175.431 0.031 . 1 . . 745 . . 111 LYS C . 50082 1 452 . 1 . 1 111 111 LYS CA C 13 56.542 0.131 . 1 . . 440 . . 111 LYS CA . 50082 1 453 . 1 . 1 111 111 LYS CB C 13 32.043 0.136 . 1 . . 441 . . 111 LYS CB . 50082 1 454 . 1 . 1 111 111 LYS N N 15 125.543 0.047 . 1 . . 280 . . 111 LYS N . 50082 1 455 . 1 . 1 112 112 VAL H H 1 8.193 0.005 . 1 . . 41 . . 112 VAL H . 50082 1 456 . 1 . 1 112 112 VAL C C 13 175.331 0.036 . 1 . . 746 . . 112 VAL C . 50082 1 457 . 1 . 1 112 112 VAL CA C 13 62.370 0.029 . 1 . . 442 . . 112 VAL CA . 50082 1 458 . 1 . 1 112 112 VAL CB C 13 29.926 0.062 . 1 . . 443 . . 112 VAL CB . 50082 1 459 . 1 . 1 112 112 VAL N N 15 124.914 0.041 . 1 . . 40 . . 112 VAL N . 50082 1 460 . 1 . 1 113 113 LEU H H 1 8.462 0.005 . 1 . . 109 . . 113 LEU H . 50082 1 461 . 1 . 1 113 113 LEU C C 13 175.186 0.025 . 1 . . 446 . . 113 LEU C . 50082 1 462 . 1 . 1 113 113 LEU CA C 13 53.875 0.079 . 1 . . 445 . . 113 LEU CA . 50082 1 463 . 1 . 1 113 113 LEU CB C 13 40.799 0.148 . 1 . . 444 . . 113 LEU CB . 50082 1 464 . 1 . 1 113 113 LEU N N 15 132.230 0.062 . 1 . . 108 . . 113 LEU N . 50082 1 465 . 1 . 1 114 114 ARG H H 1 7.779 0.007 . 1 . . 183 . . 114 ARG H . 50082 1 466 . 1 . 1 114 114 ARG C C 13 177.780 0.031 . 1 . . 447 . . 114 ARG C . 50082 1 467 . 1 . 1 114 114 ARG CA C 13 52.329 0.133 . 1 . . 449 . . 114 ARG CA . 50082 1 468 . 1 . 1 114 114 ARG CB C 13 32.274 0.07 . 1 . . 448 . . 114 ARG CB . 50082 1 469 . 1 . 1 114 114 ARG N N 15 116.112 0.045 . 1 . . 182 . . 114 ARG N . 50082 1 470 . 1 . 1 115 115 ASP H H 1 8.113 0.009 . 1 . . 728 . . 115 ASP H . 50082 1 471 . 1 . 1 115 115 ASP C C 13 178.597 . . 1 . . 747 . . 115 ASP C . 50082 1 472 . 1 . 1 115 115 ASP CA C 13 51.512 0.084 . 1 . . 880 . . 115 ASP CA . 50082 1 473 . 1 . 1 115 115 ASP CB C 13 41.823 0.097 . 1 . . 879 . . 115 ASP CB . 50082 1 474 . 1 . 1 115 115 ASP N N 15 122.552 0.053 . 1 . . 729 . . 115 ASP N . 50082 1 475 . 1 . 1 116 116 GLY C C 13 174.648 0.035 . 1 . . 453 . . 116 GLY C . 50082 1 476 . 1 . 1 116 116 GLY CA C 13 46.190 0.043 . 1 . . 450 . . 116 GLY CA . 50082 1 477 . 1 . 1 117 117 ALA H H 1 7.903 0.004 . 1 . . 239 . . 117 ALA H . 50082 1 478 . 1 . 1 117 117 ALA C C 13 177.612 0.033 . 1 . . 454 . . 117 ALA C . 50082 1 479 . 1 . 1 117 117 ALA CA C 13 50.932 0.088 . 1 . . 451 . . 117 ALA CA . 50082 1 480 . 1 . 1 117 117 ALA CB C 13 18.679 0.087 . 1 . . 452 . . 117 ALA CB . 50082 1 481 . 1 . 1 117 117 ALA N N 15 123.017 0.056 . 1 . . 238 . . 117 ALA N . 50082 1 482 . 1 . 1 118 118 GLY H H 1 8.045 0.004 . 1 . . 261 . . 118 GLY H . 50082 1 483 . 1 . 1 118 118 GLY C C 13 175.609 0.064 . 1 . . 748 . . 118 GLY C . 50082 1 484 . 1 . 1 118 118 GLY CA C 13 44.766 0.04 . 1 . . 455 . . 118 GLY CA . 50082 1 485 . 1 . 1 118 118 GLY N N 15 108.140 0.078 . 1 . . 260 . . 118 GLY N . 50082 1 486 . 1 . 1 119 119 LYS H H 1 8.610 0.005 . 1 . . 153 . . 119 LYS H . 50082 1 487 . 1 . 1 119 119 LYS C C 13 175.734 0.039 . 1 . . 458 . . 119 LYS C . 50082 1 488 . 1 . 1 119 119 LYS CA C 13 55.729 0.153 . 1 . . 457 . . 119 LYS CA . 50082 1 489 . 1 . 1 119 119 LYS CB C 13 31.702 0.061 . 1 . . 456 . . 119 LYS CB . 50082 1 490 . 1 . 1 119 119 LYS N N 15 122.280 0.057 . 1 . . 152 . . 119 LYS N . 50082 1 491 . 1 . 1 120 120 TYR H H 1 8.894 0.006 . 1 . . 131 . . 120 TYR H . 50082 1 492 . 1 . 1 120 120 TYR C C 13 176.884 0.023 . 1 . . 459 . . 120 TYR C . 50082 1 493 . 1 . 1 120 120 TYR CA C 13 56.473 0.156 . 1 . . 461 . . 120 TYR CA . 50082 1 494 . 1 . 1 120 120 TYR CB C 13 41.266 0.15 . 1 . . 460 . . 120 TYR CB . 50082 1 495 . 1 . 1 120 120 TYR N N 15 118.706 0.103 . 1 . . 130 . . 120 TYR N . 50082 1 496 . 1 . 1 121 121 PHE H H 1 9.204 0.004 . 1 . . 23 . . 121 PHE H . 50082 1 497 . 1 . 1 121 121 PHE C C 13 171.891 0.025 . 1 . . 462 . . 121 PHE C . 50082 1 498 . 1 . 1 121 121 PHE CA C 13 57.039 0.095 . 1 . . 464 . . 121 PHE CA . 50082 1 499 . 1 . 1 121 121 PHE CB C 13 41.293 0.113 . 1 . . 463 . . 121 PHE CB . 50082 1 500 . 1 . 1 121 121 PHE N N 15 117.084 0.055 . 1 . . 22 . . 121 PHE N . 50082 1 501 . 1 . 1 122 122 LEU H H 1 9.308 0.006 . 1 . . 735 . . 122 LEU H . 50082 1 502 . 1 . 1 122 122 LEU C C 13 177.437 0.012 . 1 . . 749 . . 122 LEU C . 50082 1 503 . 1 . 1 122 122 LEU CA C 13 55.572 . . 1 . . 890 . . 122 LEU CA . 50082 1 504 . 1 . 1 122 122 LEU CB C 13 43.149 . . 1 . . 889 . . 122 LEU CB . 50082 1 505 . 1 . 1 122 122 LEU N N 15 117.890 0.037 . 1 . . 736 . . 122 LEU N . 50082 1 506 . 1 . 1 123 123 TRP H H 1 8.763 0.007 . 1 . . 670 . . 123 TRP H . 50082 1 507 . 1 . 1 123 123 TRP C C 13 174.516 0.024 . 1 . . 751 . . 123 TRP C . 50082 1 508 . 1 . 1 123 123 TRP N N 15 119.374 0.017 . 1 . . 671 . . 123 TRP N . 50082 1 509 . 1 . 1 124 124 VAL H H 1 8.357 0.005 . 1 . . 694 . . 124 VAL H . 50082 1 510 . 1 . 1 124 124 VAL C C 13 175.158 0.033 . 1 . . 750 . . 124 VAL C . 50082 1 511 . 1 . 1 124 124 VAL CA C 13 64.530 0.025 . 1 . . 834 . . 124 VAL CA . 50082 1 512 . 1 . 1 124 124 VAL CB C 13 32.841 0.077 . 1 . . 835 . . 124 VAL CB . 50082 1 513 . 1 . 1 124 124 VAL N N 15 119.745 0.032 . 1 . . 695 . . 124 VAL N . 50082 1 514 . 1 . 1 125 125 VAL H H 1 8.254 0.007 . 1 . . 81 . . 125 VAL H . 50082 1 515 . 1 . 1 125 125 VAL C C 13 174.256 0.025 . 1 . . 468 . . 125 VAL C . 50082 1 516 . 1 . 1 125 125 VAL CA C 13 63.208 0.053 . 1 . . 466 . . 125 VAL CA . 50082 1 517 . 1 . 1 125 125 VAL CB C 13 31.229 0.09 . 1 . . 465 . . 125 VAL CB . 50082 1 518 . 1 . 1 125 125 VAL N N 15 123.817 0.047 . 1 . . 80 . . 125 VAL N . 50082 1 519 . 1 . 1 126 126 LYS H H 1 7.555 0.006 . 1 . . 7 . . 126 LYS H . 50082 1 520 . 1 . 1 126 126 LYS C C 13 176.164 0.028 . 1 . . 469 . . 126 LYS C . 50082 1 521 . 1 . 1 126 126 LYS CA C 13 54.092 0.098 . 1 . . 467 . . 126 LYS CA . 50082 1 522 . 1 . 1 126 126 LYS CB C 13 34.509 0.1 . 1 . . 881 . . 126 LYS CB . 50082 1 523 . 1 . 1 126 126 LYS N N 15 122.583 0.071 . 1 . . 6 . . 126 LYS N . 50082 1 524 . 1 . 1 127 127 PHE H H 1 9.224 0.006 . 1 . . 63 . . 127 PHE H . 50082 1 525 . 1 . 1 127 127 PHE C C 13 176.169 0.003 . 1 . . 752 . . 127 PHE C . 50082 1 526 . 1 . 1 127 127 PHE CA C 13 56.176 0.121 . 1 . . 471 . . 127 PHE CA . 50082 1 527 . 1 . 1 127 127 PHE CB C 13 43.195 0.011 . 1 . . 470 . . 127 PHE CB . 50082 1 528 . 1 . 1 127 127 PHE N N 15 118.179 0.081 . 1 . . 62 . . 127 PHE N . 50082 1 529 . 1 . 1 128 128 ASN H H 1 9.422 0.007 . 1 . . 151 . . 128 ASN H . 50082 1 530 . 1 . 1 128 128 ASN C C 13 175.180 0.031 . 1 . . 753 . . 128 ASN C . 50082 1 531 . 1 . 1 128 128 ASN CA C 13 54.520 0.128 . 1 . . 472 . . 128 ASN CA . 50082 1 532 . 1 . 1 128 128 ASN CB C 13 38.960 0.139 . 1 . . 836 . . 128 ASN CB . 50082 1 533 . 1 . 1 128 128 ASN N N 15 118.928 0.037 . 1 . . 150 . . 128 ASN N . 50082 1 534 . 1 . 1 129 129 SER H H 1 7.577 0.005 . 1 . . 219 . . 129 SER H . 50082 1 535 . 1 . 1 129 129 SER C C 13 173.991 0.031 . 1 . . 754 . . 129 SER C . 50082 1 536 . 1 . 1 129 129 SER CA C 13 56.436 0.041 . 1 . . 473 . . 129 SER CA . 50082 1 537 . 1 . 1 129 129 SER CB C 13 66.670 0.157 . 1 . . 474 . . 129 SER CB . 50082 1 538 . 1 . 1 129 129 SER N N 15 110.025 0.045 . 1 . . 218 . . 129 SER N . 50082 1 539 . 1 . 1 130 130 LEU H H 1 8.669 0.012 . 1 . . 682 . . 130 LEU H . 50082 1 540 . 1 . 1 130 130 LEU C C 13 178.084 0.011 . 1 . . 755 . . 130 LEU C . 50082 1 541 . 1 . 1 130 130 LEU CA C 13 56.535 . . 1 . . 891 . . 130 LEU CA . 50082 1 542 . 1 . 1 130 130 LEU CB C 13 40.790 . . 1 . . 892 . . 130 LEU CB . 50082 1 543 . 1 . 1 130 130 LEU N N 15 121.512 0.053 . 1 . . 683 . . 130 LEU N . 50082 1 544 . 1 . 1 131 131 ASN H H 1 8.322 0.011 . 1 . . 686 . . 131 ASN H . 50082 1 545 . 1 . 1 131 131 ASN C C 13 176.857 0.011 . 1 . . 725 . . 131 ASN C . 50082 1 546 . 1 . 1 131 131 ASN CA C 13 56.411 0.055 . 1 . . 893 . . 131 ASN CA . 50082 1 547 . 1 . 1 131 131 ASN CB C 13 37.810 0.077 . 1 . . 837 . . 131 ASN CB . 50082 1 548 . 1 . 1 131 131 ASN N N 15 115.390 0.038 . 1 . . 687 . . 131 ASN N . 50082 1 549 . 1 . 1 132 132 GLU H H 1 7.547 0.008 . 1 . . 722 . . 132 GLU H . 50082 1 550 . 1 . 1 132 132 GLU C C 13 177.929 0.02 . 1 . . 724 . . 132 GLU C . 50082 1 551 . 1 . 1 132 132 GLU CA C 13 58.618 0.127 . 1 . . 838 . . 132 GLU CA . 50082 1 552 . 1 . 1 132 132 GLU CB C 13 30.333 0.102 . 1 . . 894 . . 132 GLU CB . 50082 1 553 . 1 . 1 132 132 GLU N N 15 118.303 0.068 . 1 . . 723 . . 132 GLU N . 50082 1 554 . 1 . 1 133 133 LEU H H 1 6.766 0.007 . 1 . . 35 . . 133 LEU H . 50082 1 555 . 1 . 1 133 133 LEU CA C 13 58.050 . . 1 . . 476 . . 133 LEU CA . 50082 1 556 . 1 . 1 133 133 LEU CB C 13 41.421 . . 1 . . 475 . . 133 LEU CB . 50082 1 557 . 1 . 1 133 133 LEU N N 15 123.159 0.041 . 1 . . 34 . . 133 LEU N . 50082 1 558 . 1 . 1 134 134 VAL C C 13 177.071 0.011 . 1 . . 756 . . 134 VAL C . 50082 1 559 . 1 . 1 134 134 VAL CA C 13 65.774 0.072 . 1 . . 839 . . 134 VAL CA . 50082 1 560 . 1 . 1 134 134 VAL CB C 13 30.574 . . 1 . . 895 . . 134 VAL CB . 50082 1 561 . 1 . 1 135 135 ASP H H 1 7.655 0.005 . 1 . . 87 . . 135 ASP H . 50082 1 562 . 1 . 1 135 135 ASP C C 13 180.197 0.05 . 1 . . 757 . . 135 ASP C . 50082 1 563 . 1 . 1 135 135 ASP CA C 13 57.284 0.057 . 1 . . 478 . . 135 ASP CA . 50082 1 564 . 1 . 1 135 135 ASP CB C 13 39.865 0.022 . 1 . . 477 . . 135 ASP CB . 50082 1 565 . 1 . 1 135 135 ASP N N 15 116.213 0.058 . 1 . . 86 . . 135 ASP N . 50082 1 566 . 1 . 1 136 136 TYR H H 1 7.830 0.007 . 1 . . 167 . . 136 TYR H . 50082 1 567 . 1 . 1 136 136 TYR C C 13 178.969 . . 1 . . 758 . . 136 TYR C . 50082 1 568 . 1 . 1 136 136 TYR CA C 13 61.126 0.126 . 1 . . 480 . . 136 TYR CA . 50082 1 569 . 1 . 1 136 136 TYR CB C 13 39.396 . . 1 . . 479 . . 136 TYR CB . 50082 1 570 . 1 . 1 136 136 TYR N N 15 121.858 0.077 . 1 . . 166 . . 136 TYR N . 50082 1 571 . 1 . 1 137 137 HIS C C 13 174.078 0.026 . 1 . . 484 . . 137 HIS C . 50082 1 572 . 1 . 1 137 137 HIS CA C 13 57.536 0.015 . 1 . . 841 . . 137 HIS CA . 50082 1 573 . 1 . 1 137 137 HIS CB C 13 26.657 0.057 . 1 . . 840 . . 137 HIS CB . 50082 1 574 . 1 . 1 138 138 ARG H H 1 7.352 0.005 . 1 . . 43 . . 138 ARG H . 50082 1 575 . 1 . 1 138 138 ARG C C 13 178.330 0.04 . 1 . . 483 . . 138 ARG C . 50082 1 576 . 1 . 1 138 138 ARG CA C 13 57.763 0.128 . 1 . . 482 . . 138 ARG CA . 50082 1 577 . 1 . 1 138 138 ARG CB C 13 29.449 0.071 . 1 . . 481 . . 138 ARG CB . 50082 1 578 . 1 . 1 138 138 ARG N N 15 116.968 0.065 . 1 . . 42 . . 138 ARG N . 50082 1 579 . 1 . 1 139 139 SER H H 1 7.183 0.009 . 1 . . 57 . . 139 SER H . 50082 1 580 . 1 . 1 139 139 SER C C 13 172.884 0.022 . 1 . . 489 . . 139 SER C . 50082 1 581 . 1 . 1 139 139 SER CA C 13 57.806 0.127 . 1 . . 488 . . 139 SER CA . 50082 1 582 . 1 . 1 139 139 SER CB C 13 64.523 0.093 . 1 . . 486 . . 139 SER CB . 50082 1 583 . 1 . 1 139 139 SER N N 15 108.356 0.034 . 1 . . 56 . . 139 SER N . 50082 1 584 . 1 . 1 140 140 THR H H 1 7.258 0.005 . 1 . . 259 . . 140 THR H . 50082 1 585 . 1 . 1 140 140 THR C C 13 173.247 0.07 . 1 . . 490 . . 140 THR C . 50082 1 586 . 1 . 1 140 140 THR CA C 13 62.633 0.014 . 1 . . 485 . . 140 THR CA . 50082 1 587 . 1 . 1 140 140 THR CB C 13 70.028 0.05 . 1 . . 487 . . 140 THR CB . 50082 1 588 . 1 . 1 140 140 THR N N 15 120.771 0.051 . 1 . . 258 . . 140 THR N . 50082 1 589 . 1 . 1 141 141 SER C C 13 176.734 0.091 . 1 . . 759 . . 141 SER C . 50082 1 590 . 1 . 1 141 141 SER CA C 13 56.973 0.047 . 1 . . 843 . . 141 SER CA . 50082 1 591 . 1 . 1 141 141 SER CB C 13 63.144 0.106 . 1 . . 842 . . 141 SER CB . 50082 1 592 . 1 . 1 142 142 VAL H H 1 8.274 0.006 . 1 . . 221 . . 142 VAL H . 50082 1 593 . 1 . 1 142 142 VAL C C 13 173.342 0.005 . 1 . . 495 . . 142 VAL C . 50082 1 594 . 1 . 1 142 142 VAL CA C 13 62.104 0.064 . 1 . . 493 . . 142 VAL CA . 50082 1 595 . 1 . 1 142 142 VAL CB C 13 31.220 0.119 . 1 . . 494 . . 142 VAL CB . 50082 1 596 . 1 . 1 142 142 VAL N N 15 121.037 0.053 . 1 . . 220 . . 142 VAL N . 50082 1 597 . 1 . 1 143 143 SER H H 1 7.598 0.003 . 1 . . 159 . . 143 SER H . 50082 1 598 . 1 . 1 143 143 SER CA C 13 54.344 0.062 . 1 . . 492 . . 143 SER CA . 50082 1 599 . 1 . 1 143 143 SER CB C 13 64.457 0.071 . 1 . . 491 . . 143 SER CB . 50082 1 600 . 1 . 1 143 143 SER N N 15 111.272 0.049 . 1 . . 158 . . 143 SER N . 50082 1 601 . 1 . 1 145 145 ASN C C 13 174.154 0.01 . 1 . . 899 . . 145 ASN C . 50082 1 602 . 1 . 1 145 145 ASN CA C 13 53.207 0.075 . 1 . . 896 . . 145 ASN CA . 50082 1 603 . 1 . 1 145 145 ASN CB C 13 39.754 0.083 . 1 . . 884 . . 145 ASN CB . 50082 1 604 . 1 . 1 146 146 GLN H H 1 7.406 0.005 . 1 . . 692 . . 146 GLN H . 50082 1 605 . 1 . 1 146 146 GLN CA C 13 53.823 0.022 . 1 . . 883 . . 146 GLN CA . 50082 1 606 . 1 . 1 146 146 GLN CB C 13 31.945 0.016 . 1 . . 882 . . 146 GLN CB . 50082 1 607 . 1 . 1 146 146 GLN N N 15 118.290 0.042 . 1 . . 693 . . 146 GLN N . 50082 1 608 . 1 . 1 147 147 GLN C C 13 172.967 0.044 . 1 . . 496 . . 147 GLN C . 50082 1 609 . 1 . 1 147 147 GLN CA C 13 54.544 0.07 . 1 . . 499 . . 147 GLN CA . 50082 1 610 . 1 . 1 147 147 GLN CB C 13 27.656 0.101 . 1 . . 500 . . 147 GLN CB . 50082 1 611 . 1 . 1 148 148 ILE H H 1 7.899 0.004 . 1 . . 19 . . 148 ILE H . 50082 1 612 . 1 . 1 148 148 ILE C C 13 172.843 0.032 . 1 . . 502 . . 148 ILE C . 50082 1 613 . 1 . 1 148 148 ILE CA C 13 60.107 0.06 . 1 . . 498 . . 148 ILE CA . 50082 1 614 . 1 . 1 148 148 ILE CB C 13 39.256 0.105 . 1 . . 497 . . 148 ILE CB . 50082 1 615 . 1 . 1 148 148 ILE N N 15 125.037 0.064 . 1 . . 18 . . 148 ILE N . 50082 1 616 . 1 . 1 149 149 PHE H H 1 8.365 0.004 . 1 . . 181 . . 149 PHE H . 50082 1 617 . 1 . 1 149 149 PHE C C 13 175.596 0.031 . 1 . . 501 . . 149 PHE C . 50082 1 618 . 1 . 1 149 149 PHE CA C 13 54.418 0.079 . 1 . . 503 . . 149 PHE CA . 50082 1 619 . 1 . 1 149 149 PHE CB C 13 39.885 0.081 . 1 . . 504 . . 149 PHE CB . 50082 1 620 . 1 . 1 149 149 PHE N N 15 126.507 0.049 . 1 . . 180 . . 149 PHE N . 50082 1 621 . 1 . 1 150 150 LEU H H 1 8.100 0.005 . 1 . . 129 . . 150 LEU H . 50082 1 622 . 1 . 1 150 150 LEU C C 13 177.443 0.065 . 1 . . 505 . . 150 LEU C . 50082 1 623 . 1 . 1 150 150 LEU CA C 13 55.023 0.098 . 1 . . 506 . . 150 LEU CA . 50082 1 624 . 1 . 1 150 150 LEU CB C 13 38.572 0.137 . 1 . . 507 . . 150 LEU CB . 50082 1 625 . 1 . 1 150 150 LEU N N 15 119.573 0.056 . 1 . . 128 . . 150 LEU N . 50082 1 626 . 1 . 1 151 151 ARG H H 1 8.226 0.006 . 1 . . 193 . . 151 ARG H . 50082 1 627 . 1 . 1 151 151 ARG C C 13 174.106 0.04 . 1 . . 508 . . 151 ARG C . 50082 1 628 . 1 . 1 151 151 ARG CA C 13 54.043 0.162 . 1 . . 509 . . 151 ARG CA . 50082 1 629 . 1 . 1 151 151 ARG CB C 13 33.390 0.094 . 1 . . 510 . . 151 ARG CB . 50082 1 630 . 1 . 1 151 151 ARG N N 15 123.640 0.028 . 1 . . 192 . . 151 ARG N . 50082 1 631 . 1 . 1 152 152 ASP H H 1 8.573 0.006 . 1 . . 61 . . 152 ASP H . 50082 1 632 . 1 . 1 152 152 ASP C C 13 178.191 0.034 . 1 . . 511 . . 152 ASP C . 50082 1 633 . 1 . 1 152 152 ASP CA C 13 55.024 0.123 . 1 . . 512 . . 152 ASP CA . 50082 1 634 . 1 . 1 152 152 ASP CB C 13 40.405 0.036 . 1 . . 513 . . 152 ASP CB . 50082 1 635 . 1 . 1 152 152 ASP N N 15 122.293 0.066 . 1 . . 60 . . 152 ASP N . 50082 1 636 . 1 . 1 160 160 PRO C C 13 176.165 0.005 . 1 . . 760 . . 160 PRO C . 50082 1 637 . 1 . 1 160 160 PRO CA C 13 62.761 0.058 . 1 . . 845 . . 160 PRO CA . 50082 1 638 . 1 . 1 160 160 PRO CB C 13 31.302 0.096 . 1 . . 844 . . 160 PRO CB . 50082 1 639 . 1 . 1 161 161 THR H H 1 8.452 0.006 . 1 . . 45 . . 161 THR H . 50082 1 640 . 1 . 1 161 161 THR C C 13 173.393 0.049 . 1 . . 521 . . 161 THR C . 50082 1 641 . 1 . 1 161 161 THR CA C 13 62.145 0.122 . 1 . . 515 . . 161 THR CA . 50082 1 642 . 1 . 1 161 161 THR CB C 13 69.662 0.089 . 1 . . 514 . . 161 THR CB . 50082 1 643 . 1 . 1 161 161 THR N N 15 116.936 0.102 . 1 . . 44 . . 161 THR N . 50082 1 644 . 1 . 1 162 162 TYR H H 1 8.593 0.009 . 1 . . 179 . . 162 TYR H . 50082 1 645 . 1 . 1 162 162 TYR C C 13 175.731 0.02 . 1 . . 520 . . 162 TYR C . 50082 1 646 . 1 . 1 162 162 TYR CA C 13 56.739 0.086 . 1 . . 517 . . 162 TYR CA . 50082 1 647 . 1 . 1 162 162 TYR CB C 13 41.529 0.073 . 1 . . 516 . . 162 TYR CB . 50082 1 648 . 1 . 1 162 162 TYR N N 15 123.789 0.047 . 1 . . 178 . . 162 TYR N . 50082 1 649 . 1 . 1 163 163 VAL H H 1 8.794 0.004 . 1 . . 143 . . 163 VAL H . 50082 1 650 . 1 . 1 163 163 VAL C C 13 173.277 0.04 . 1 . . 522 . . 163 VAL C . 50082 1 651 . 1 . 1 163 163 VAL CA C 13 58.119 0.015 . 1 . . 518 . . 163 VAL CA . 50082 1 652 . 1 . 1 163 163 VAL CB C 13 34.877 0.05 . 1 . . 519 . . 163 VAL CB . 50082 1 653 . 1 . 1 163 163 VAL N N 15 113.341 0.042 . 1 . . 142 . . 163 VAL N . 50082 1 654 . 1 . 1 164 164 GLN H H 1 9.082 0.006 . 1 . . 95 . . 164 GLN H . 50082 1 655 . 1 . 1 164 164 GLN C C 13 175.502 0.021 . 1 . . 525 . . 164 GLN C . 50082 1 656 . 1 . 1 164 164 GLN CA C 13 52.811 0.066 . 1 . . 523 . . 164 GLN CA . 50082 1 657 . 1 . 1 164 164 GLN CB C 13 30.989 0.104 . 1 . . 524 . . 164 GLN CB . 50082 1 658 . 1 . 1 164 164 GLN N N 15 121.361 0.045 . 1 . . 94 . . 164 GLN N . 50082 1 659 . 1 . 1 165 165 ALA H H 1 8.636 0.003 . 1 . . 273 . . 165 ALA H . 50082 1 660 . 1 . 1 165 165 ALA C C 13 179.156 0.019 . 1 . . 526 . . 165 ALA C . 50082 1 661 . 1 . 1 165 165 ALA CA C 13 52.388 0.08 . 1 . . 527 . . 165 ALA CA . 50082 1 662 . 1 . 1 165 165 ALA CB C 13 20.434 0.099 . 1 . . 528 . . 165 ALA CB . 50082 1 663 . 1 . 1 165 165 ALA N N 15 127.599 0.06 . 1 . . 272 . . 165 ALA N . 50082 1 664 . 1 . 1 166 166 LEU H H 1 9.424 0.007 . 1 . . 141 . . 166 LEU H . 50082 1 665 . 1 . 1 166 166 LEU C C 13 175.274 0.022 . 1 . . 531 . . 166 LEU C . 50082 1 666 . 1 . 1 166 166 LEU CA C 13 55.067 0.077 . 1 . . 530 . . 166 LEU CA . 50082 1 667 . 1 . 1 166 166 LEU CB C 13 42.594 0.05 . 1 . . 529 . . 166 LEU CB . 50082 1 668 . 1 . 1 166 166 LEU N N 15 126.501 0.076 . 1 . . 140 . . 166 LEU N . 50082 1 669 . 1 . 1 167 167 PHE H H 1 7.117 0.005 . 1 . . 27 . . 167 PHE H . 50082 1 670 . 1 . 1 167 167 PHE C C 13 173.730 0.041 . 1 . . 532 . . 167 PHE C . 50082 1 671 . 1 . 1 167 167 PHE CA C 13 53.900 0.03 . 1 . . 533 . . 167 PHE CA . 50082 1 672 . 1 . 1 167 167 PHE CB C 13 43.087 0.074 . 1 . . 534 . . 167 PHE CB . 50082 1 673 . 1 . 1 167 167 PHE N N 15 113.570 0.037 . 1 . . 26 . . 167 PHE N . 50082 1 674 . 1 . 1 168 168 ASP H H 1 8.349 0.006 . 1 . . 241 . . 168 ASP H . 50082 1 675 . 1 . 1 168 168 ASP C C 13 175.601 0.038 . 1 . . 535 . . 168 ASP C . 50082 1 676 . 1 . 1 168 168 ASP CA C 13 54.413 0.096 . 1 . . 537 . . 168 ASP CA . 50082 1 677 . 1 . 1 168 168 ASP CB C 13 41.133 0.034 . 1 . . 536 . . 168 ASP CB . 50082 1 678 . 1 . 1 168 168 ASP N N 15 118.534 0.058 . 1 . . 240 . . 168 ASP N . 50082 1 679 . 1 . 1 169 169 PHE H H 1 8.419 0.005 . 1 . . 31 . . 169 PHE H . 50082 1 680 . 1 . 1 169 169 PHE C C 13 172.883 0.044 . 1 . . 538 . . 169 PHE C . 50082 1 681 . 1 . 1 169 169 PHE CA C 13 56.600 0.071 . 1 . . 539 . . 169 PHE CA . 50082 1 682 . 1 . 1 169 169 PHE CB C 13 41.538 0.076 . 1 . . 540 . . 169 PHE CB . 50082 1 683 . 1 . 1 169 169 PHE N N 15 122.784 0.053 . 1 . . 30 . . 169 PHE N . 50082 1 684 . 1 . 1 170 170 ASP H H 1 7.769 0.009 . 1 . . 51 . . 170 ASP H . 50082 1 685 . 1 . 1 170 170 ASP CA C 13 49.899 0.052 . 1 . . 542 . . 170 ASP CA . 50082 1 686 . 1 . 1 170 170 ASP CB C 13 41.253 0.093 . 1 . . 541 . . 170 ASP CB . 50082 1 687 . 1 . 1 170 170 ASP N N 15 128.788 0.053 . 1 . . 50 . . 170 ASP N . 50082 1 688 . 1 . 1 171 171 PRO C C 13 177.046 0.016 . 1 . . 548 . . 171 PRO C . 50082 1 689 . 1 . 1 171 171 PRO CA C 13 62.302 0.04 . 1 . . 549 . . 171 PRO CA . 50082 1 690 . 1 . 1 171 171 PRO CB C 13 32.640 0.056 . 1 . . 550 . . 171 PRO CB . 50082 1 691 . 1 . 1 172 172 GLN H H 1 9.094 0.021 . 1 . . 271 . . 172 GLN H . 50082 1 692 . 1 . 1 172 172 GLN C C 13 175.698 0.01 . 1 . . 547 . . 172 GLN C . 50082 1 693 . 1 . 1 172 172 GLN CA C 13 55.378 0.057 . 1 . . 544 . . 172 GLN CA . 50082 1 694 . 1 . 1 172 172 GLN CB C 13 30.249 0.108 . 1 . . 546 . . 172 GLN CB . 50082 1 695 . 1 . 1 172 172 GLN N N 15 121.099 0.072 . 1 . . 270 . . 172 GLN N . 50082 1 696 . 1 . 1 173 173 GLU H H 1 7.560 0.01 . 1 . . 257 . . 173 GLU H . 50082 1 697 . 1 . 1 173 173 GLU C C 13 176.388 0.008 . 1 . . 551 . . 173 GLU C . 50082 1 698 . 1 . 1 173 173 GLU CA C 13 53.781 0.046 . 1 . . 543 . . 173 GLU CA . 50082 1 699 . 1 . 1 173 173 GLU CB C 13 31.759 0.05 . 1 . . 545 . . 173 GLU CB . 50082 1 700 . 1 . 1 173 173 GLU N N 15 118.202 0.053 . 1 . . 256 . . 173 GLU N . 50082 1 701 . 1 . 1 174 174 ASP H H 1 8.611 0.007 . 1 . . 251 . . 174 ASP H . 50082 1 702 . 1 . 1 174 174 ASP C C 13 177.234 0.011 . 1 . . 900 . . 174 ASP C . 50082 1 703 . 1 . 1 174 174 ASP CA C 13 55.945 0.091 . 1 . . 886 . . 174 ASP CA . 50082 1 704 . 1 . 1 174 174 ASP CB C 13 40.487 0.044 . 1 . . 885 . . 174 ASP CB . 50082 1 705 . 1 . 1 174 174 ASP N N 15 122.368 0.047 . 1 . . 250 . . 174 ASP N . 50082 1 706 . 1 . 1 175 175 GLY H H 1 8.661 0.006 . 1 . . 765 . . 175 GLY H . 50082 1 707 . 1 . 1 175 175 GLY C C 13 175.294 0.015 . 1 . . 761 . . 175 GLY C . 50082 1 708 . 1 . 1 175 175 GLY CA C 13 44.771 0.037 . 1 . . 887 . . 175 GLY CA . 50082 1 709 . 1 . 1 175 175 GLY N N 15 110.904 0.055 . 1 . . 766 . . 175 GLY N . 50082 1 710 . 1 . 1 176 176 GLU H H 1 7.552 0.004 . 1 . . 856 . . 176 GLU H . 50082 1 711 . 1 . 1 176 176 GLU C C 13 175.493 0.017 . 1 . . 857 . . 176 GLU C . 50082 1 712 . 1 . 1 176 176 GLU CA C 13 55.547 0.075 . 1 . . 847 . . 176 GLU CA . 50082 1 713 . 1 . 1 176 176 GLU CB C 13 31.009 0.116 . 1 . . 846 . . 176 GLU CB . 50082 1 714 . 1 . 1 176 176 GLU N N 15 120.957 0.059 . 1 . . 855 . . 176 GLU N . 50082 1 715 . 1 . 1 177 177 LEU H H 1 9.126 0.004 . 1 . . 171 . . 177 LEU H . 50082 1 716 . 1 . 1 177 177 LEU C C 13 173.299 0.028 . 1 . . 554 . . 177 LEU C . 50082 1 717 . 1 . 1 177 177 LEU CA C 13 53.410 0.102 . 1 . . 553 . . 177 LEU CA . 50082 1 718 . 1 . 1 177 177 LEU CB C 13 44.603 0.074 . 1 . . 552 . . 177 LEU CB . 50082 1 719 . 1 . 1 177 177 LEU N N 15 127.390 0.047 . 1 . . 170 . . 177 LEU N . 50082 1 720 . 1 . 1 178 178 GLY H H 1 7.990 0.011 . 1 . . 237 . . 178 GLY H . 50082 1 721 . 1 . 1 178 178 GLY C C 13 173.647 0.035 . 1 . . 555 . . 178 GLY C . 50082 1 722 . 1 . 1 178 178 GLY CA C 13 44.391 0.135 . 1 . . 848 . . 178 GLY CA . 50082 1 723 . 1 . 1 178 178 GLY N N 15 108.669 0.052 . 1 . . 236 . . 178 GLY N . 50082 1 724 . 1 . 1 179 179 PHE H H 1 7.967 0.015 . 1 . . 67 . . 179 PHE H . 50082 1 725 . 1 . 1 179 179 PHE C C 13 174.725 0.022 . 1 . . 556 . . 179 PHE C . 50082 1 726 . 1 . 1 179 179 PHE CA C 13 56.289 0.12 . 1 . . 558 . . 179 PHE CA . 50082 1 727 . 1 . 1 179 179 PHE CB C 13 39.561 0.069 . 1 . . 557 . . 179 PHE CB . 50082 1 728 . 1 . 1 179 179 PHE N N 15 114.201 0.082 . 1 . . 66 . . 179 PHE N . 50082 1 729 . 1 . 1 180 180 ARG H H 1 9.578 0.017 . 1 . . 263 . . 180 ARG H . 50082 1 730 . 1 . 1 180 180 ARG C C 13 175.846 0.044 . 1 . . 559 . . 180 ARG C . 50082 1 731 . 1 . 1 180 180 ARG CA C 13 52.788 0.119 . 1 . . 561 . . 180 ARG CA . 50082 1 732 . 1 . 1 180 180 ARG CB C 13 32.352 0.096 . 1 . . 560 . . 180 ARG CB . 50082 1 733 . 1 . 1 180 180 ARG N N 15 121.324 0.063 . 1 . . 262 . . 180 ARG N . 50082 1 734 . 1 . 1 181 181 ARG H H 1 9.131 0.005 . 1 . . 113 . . 181 ARG H . 50082 1 735 . 1 . 1 181 181 ARG C C 13 176.606 0.019 . 1 . . 564 . . 181 ARG C . 50082 1 736 . 1 . 1 181 181 ARG CA C 13 58.022 0.07 . 1 . . 562 . . 181 ARG CA . 50082 1 737 . 1 . 1 181 181 ARG CB C 13 29.249 0.075 . 1 . . 563 . . 181 ARG CB . 50082 1 738 . 1 . 1 181 181 ARG N N 15 121.286 0.07 . 1 . . 112 . . 181 ARG N . 50082 1 739 . 1 . 1 182 182 GLY H H 1 8.626 0.004 . 1 . . 213 . . 182 GLY H . 50082 1 740 . 1 . 1 182 182 GLY C C 13 174.556 0.073 . 1 . . 565 . . 182 GLY C . 50082 1 741 . 1 . 1 182 182 GLY CA C 13 44.179 0.029 . 1 . . 566 . . 182 GLY CA . 50082 1 742 . 1 . 1 182 182 GLY N N 15 115.436 0.045 . 1 . . 212 . . 182 GLY N . 50082 1 743 . 1 . 1 183 183 ASP H H 1 8.343 0.004 . 1 . . 71 . . 183 ASP H . 50082 1 744 . 1 . 1 183 183 ASP C C 13 175.389 0.052 . 1 . . 567 . . 183 ASP C . 50082 1 745 . 1 . 1 183 183 ASP CA C 13 55.229 0.091 . 1 . . 569 . . 183 ASP CA . 50082 1 746 . 1 . 1 183 183 ASP CB C 13 41.222 0.13 . 1 . . 568 . . 183 ASP CB . 50082 1 747 . 1 . 1 183 183 ASP N N 15 122.859 0.039 . 1 . . 70 . . 183 ASP N . 50082 1 748 . 1 . 1 184 184 PHE H H 1 8.421 0.009 . 1 . . 17 . . 184 PHE H . 50082 1 749 . 1 . 1 184 184 PHE C C 13 175.647 0.062 . 1 . . 570 . . 184 PHE C . 50082 1 750 . 1 . 1 184 184 PHE CA C 13 56.986 0.085 . 1 . . 571 . . 184 PHE CA . 50082 1 751 . 1 . 1 184 184 PHE CB C 13 39.927 0.039 . 1 . . 572 . . 184 PHE CB . 50082 1 752 . 1 . 1 184 184 PHE N N 15 118.556 0.046 . 1 . . 16 . . 184 PHE N . 50082 1 753 . 1 . 1 185 185 ILE H H 1 9.033 0.01 . 1 . . 177 . . 185 ILE H . 50082 1 754 . 1 . 1 185 185 ILE C C 13 175.084 0.018 . 1 . . 573 . . 185 ILE C . 50082 1 755 . 1 . 1 185 185 ILE CA C 13 60.193 0.097 . 1 . . 575 . . 185 ILE CA . 50082 1 756 . 1 . 1 185 185 ILE CB C 13 40.537 0.123 . 1 . . 574 . . 185 ILE CB . 50082 1 757 . 1 . 1 185 185 ILE N N 15 124.861 0.088 . 1 . . 176 . . 185 ILE N . 50082 1 758 . 1 . 1 186 186 HIS H H 1 8.551 0.009 . 1 . . 79 . . 186 HIS H . 50082 1 759 . 1 . 1 186 186 HIS C C 13 175.177 0.021 . 1 . . 578 . . 186 HIS C . 50082 1 760 . 1 . 1 186 186 HIS CA C 13 53.942 0.075 . 1 . . 576 . . 186 HIS CA . 50082 1 761 . 1 . 1 186 186 HIS CB C 13 31.520 0.101 . 1 . . 577 . . 186 HIS CB . 50082 1 762 . 1 . 1 186 186 HIS N N 15 128.097 0.045 . 1 . . 78 . . 186 HIS N . 50082 1 763 . 1 . 1 187 187 VAL H H 1 8.737 0.007 . 1 . . 269 . . 187 VAL H . 50082 1 764 . 1 . 1 187 187 VAL C C 13 174.500 0.023 . 1 . . 579 . . 187 VAL C . 50082 1 765 . 1 . 1 187 187 VAL CA C 13 64.216 0.045 . 1 . . 580 . . 187 VAL CA . 50082 1 766 . 1 . 1 187 187 VAL CB C 13 31.024 0.122 . 1 . . 888 . . 187 VAL CB . 50082 1 767 . 1 . 1 187 187 VAL N N 15 129.211 0.091 . 1 . . 268 . . 187 VAL N . 50082 1 768 . 1 . 1 188 188 MET H H 1 9.072 0.005 . 1 . . 279 . . 188 MET H . 50082 1 769 . 1 . 1 188 188 MET C C 13 175.845 0.026 . 1 . . 581 . . 188 MET C . 50082 1 770 . 1 . 1 188 188 MET CA C 13 55.922 0.045 . 1 . . 582 . . 188 MET CA . 50082 1 771 . 1 . 1 188 188 MET CB C 13 34.836 0.097 . 1 . . 583 . . 188 MET CB . 50082 1 772 . 1 . 1 188 188 MET N N 15 126.800 0.062 . 1 . . 278 . . 188 MET N . 50082 1 773 . 1 . 1 189 189 ASP H H 1 7.521 0.004 . 1 . . 249 . . 189 ASP H . 50082 1 774 . 1 . 1 189 189 ASP C C 13 174.736 0.015 . 1 . . 586 . . 189 ASP C . 50082 1 775 . 1 . 1 189 189 ASP CA C 13 54.528 0.071 . 1 . . 585 . . 189 ASP CA . 50082 1 776 . 1 . 1 189 189 ASP CB C 13 43.039 0.056 . 1 . . 584 . . 189 ASP CB . 50082 1 777 . 1 . 1 189 189 ASP N N 15 117.143 0.051 . 1 . . 248 . . 189 ASP N . 50082 1 778 . 1 . 1 190 190 ASN H H 1 8.076 0.006 . 1 . . 680 . . 190 ASN H . 50082 1 779 . 1 . 1 190 190 ASN C C 13 174.867 0.007 . 1 . . 762 . . 190 ASN C . 50082 1 780 . 1 . 1 190 190 ASN CA C 13 50.591 0.078 . 1 . . 588 . . 190 ASN CA . 50082 1 781 . 1 . 1 190 190 ASN CB C 13 35.687 0.051 . 1 . . 587 . . 190 ASN CB . 50082 1 782 . 1 . 1 190 190 ASN N N 15 126.586 0.044 . 1 . . 681 . . 190 ASN N . 50082 1 783 . 1 . 1 191 191 SER H H 1 8.178 0.004 . 1 . . 229 . . 191 SER H . 50082 1 784 . 1 . 1 191 191 SER C C 13 175.185 0.023 . 1 . . 591 . . 191 SER C . 50082 1 785 . 1 . 1 191 191 SER CA C 13 61.241 0.057 . 1 . . 589 . . 191 SER CA . 50082 1 786 . 1 . 1 191 191 SER CB C 13 63.300 0.096 . 1 . . 590 . . 191 SER CB . 50082 1 787 . 1 . 1 191 191 SER N N 15 116.324 0.05 . 1 . . 228 . . 191 SER N . 50082 1 788 . 1 . 1 192 192 ASP H H 1 8.522 0.004 . 1 . . 201 . . 192 ASP H . 50082 1 789 . 1 . 1 192 192 ASP C C 13 174.652 0.05 . 1 . . 592 . . 192 ASP C . 50082 1 790 . 1 . 1 192 192 ASP CA C 13 51.592 0.056 . 1 . . 593 . . 192 ASP CA . 50082 1 791 . 1 . 1 192 192 ASP CB C 13 43.659 0.029 . 1 . . 594 . . 192 ASP CB . 50082 1 792 . 1 . 1 192 192 ASP N N 15 127.327 0.052 . 1 . . 200 . . 192 ASP N . 50082 1 793 . 1 . 1 193 193 PRO C C 13 176.812 0.02 . 1 . . 595 . . 193 PRO C . 50082 1 794 . 1 . 1 193 193 PRO CA C 13 63.886 0.077 . 1 . . 600 . . 193 PRO CA . 50082 1 795 . 1 . 1 193 193 PRO CB C 13 31.657 0.064 . 1 . . 599 . . 193 PRO CB . 50082 1 796 . 1 . 1 194 194 ASN H H 1 8.673 0.003 . 1 . . 235 . . 194 ASN H . 50082 1 797 . 1 . 1 194 194 ASN C C 13 175.084 0.042 . 1 . . 596 . . 194 ASN C . 50082 1 798 . 1 . 1 194 194 ASN CA C 13 54.214 0.08 . 1 . . 598 . . 194 ASN CA . 50082 1 799 . 1 . 1 194 194 ASN CB C 13 41.689 0.167 . 1 . . 597 . . 194 ASN CB . 50082 1 800 . 1 . 1 194 194 ASN N N 15 113.814 0.05 . 1 . . 234 . . 194 ASN N . 50082 1 801 . 1 . 1 195 195 TRP H H 1 8.913 0.005 . 1 . . 265 . . 195 TRP H . 50082 1 802 . 1 . 1 195 195 TRP C C 13 174.259 0.019 . 1 . . 601 . . 195 TRP C . 50082 1 803 . 1 . 1 195 195 TRP CA C 13 56.267 0.122 . 1 . . 602 . . 195 TRP CA . 50082 1 804 . 1 . 1 195 195 TRP CB C 13 30.831 0.134 . 1 . . 603 . . 195 TRP CB . 50082 1 805 . 1 . 1 195 195 TRP N N 15 124.858 0.036 . 1 . . 264 . . 195 TRP N . 50082 1 806 . 1 . 1 196 196 TRP H H 1 8.532 0.006 . 1 . . 127 . . 196 TRP H . 50082 1 807 . 1 . 1 196 196 TRP C C 13 173.313 0.03 . 1 . . 604 . . 196 TRP C . 50082 1 808 . 1 . 1 196 196 TRP CA C 13 53.043 0.142 . 1 . . 605 . . 196 TRP CA . 50082 1 809 . 1 . 1 196 196 TRP CB C 13 33.035 0.159 . 1 . . 606 . . 196 TRP CB . 50082 1 810 . 1 . 1 196 196 TRP N N 15 126.259 0.064 . 1 . . 126 . . 196 TRP N . 50082 1 811 . 1 . 1 197 197 LYS H H 1 8.489 0.005 . 1 . . 9 . . 197 LYS H . 50082 1 812 . 1 . 1 197 197 LYS C C 13 177.798 0.024 . 1 . . 607 . . 197 LYS C . 50082 1 813 . 1 . 1 197 197 LYS CA C 13 54.422 0.145 . 1 . . 609 . . 197 LYS CA . 50082 1 814 . 1 . 1 197 197 LYS CB C 13 35.494 0.144 . 1 . . 608 . . 197 LYS CB . 50082 1 815 . 1 . 1 197 197 LYS N N 15 119.532 0.056 . 1 . . 8 . . 197 LYS N . 50082 1 816 . 1 . 1 198 198 GLY H H 1 9.629 0.008 . 1 . . 169 . . 198 GLY H . 50082 1 817 . 1 . 1 198 198 GLY C C 13 169.537 0.029 . 1 . . 611 . . 198 GLY C . 50082 1 818 . 1 . 1 198 198 GLY CA C 13 46.162 0.08 . 1 . . 610 . . 198 GLY CA . 50082 1 819 . 1 . 1 198 198 GLY N N 15 115.136 0.08 . 1 . . 168 . . 198 GLY N . 50082 1 820 . 1 . 1 199 199 ALA H H 1 8.860 0.005 . 1 . . 65 . . 199 ALA H . 50082 1 821 . 1 . 1 199 199 ALA C C 13 177.303 0.027 . 1 . . 612 . . 199 ALA C . 50082 1 822 . 1 . 1 199 199 ALA CA C 13 50.426 0.04 . 1 . . 614 . . 199 ALA CA . 50082 1 823 . 1 . 1 199 199 ALA CB C 13 22.807 0.063 . 1 . . 613 . . 199 ALA CB . 50082 1 824 . 1 . 1 199 199 ALA N N 15 121.279 0.038 . 1 . . 64 . . 199 ALA N . 50082 1 825 . 1 . 1 200 200 CYS H H 1 8.742 0.011 . 1 . . 245 . . 200 CYS H . 50082 1 826 . 1 . 1 200 200 CYS C C 13 174.464 0.032 . 1 . . 615 . . 200 CYS C . 50082 1 827 . 1 . 1 200 200 CYS CA C 13 59.359 0.105 . 1 . . 616 . . 200 CYS CA . 50082 1 828 . 1 . 1 200 200 CYS CB C 13 29.224 0.029 . 1 . . 617 . . 200 CYS CB . 50082 1 829 . 1 . 1 200 200 CYS N N 15 121.315 0.093 . 1 . . 244 . . 200 CYS N . 50082 1 830 . 1 . 1 202 202 GLY H H 1 8.820 0.0 . 1 . . 901 . . 202 GLY H . 50082 1 831 . 1 . 1 202 202 GLY C C 13 173.924 0.015 . 1 . . 621 . . 202 GLY C . 50082 1 832 . 1 . 1 202 202 GLY CA C 13 45.489 0.041 . 1 . . 618 . . 202 GLY CA . 50082 1 833 . 1 . 1 202 202 GLY N N 15 106.337 . . 1 . . 902 . . 202 GLY N . 50082 1 834 . 1 . 1 203 203 GLN H H 1 7.940 0.006 . 1 . . 187 . . 203 GLN H . 50082 1 835 . 1 . 1 203 203 GLN C C 13 174.797 0.013 . 1 . . 622 . . 203 GLN C . 50082 1 836 . 1 . 1 203 203 GLN CA C 13 53.581 0.119 . 1 . . 620 . . 203 GLN CA . 50082 1 837 . 1 . 1 203 203 GLN CB C 13 31.375 0.058 . 1 . . 619 . . 203 GLN CB . 50082 1 838 . 1 . 1 203 203 GLN N N 15 120.657 0.074 . 1 . . 186 . . 203 GLN N . 50082 1 839 . 1 . 1 204 204 THR H H 1 8.399 0.006 . 1 . . 135 . . 204 THR H . 50082 1 840 . 1 . 1 204 204 THR C C 13 174.806 0.028 . 1 . . 625 . . 204 THR C . 50082 1 841 . 1 . 1 204 204 THR CA C 13 60.091 0.06 . 1 . . 623 . . 204 THR CA . 50082 1 842 . 1 . 1 204 204 THR CB C 13 71.813 0.078 . 1 . . 624 . . 204 THR CB . 50082 1 843 . 1 . 1 204 204 THR N N 15 113.325 0.076 . 1 . . 134 . . 204 THR N . 50082 1 844 . 1 . 1 205 205 GLY H H 1 8.967 0.006 . 1 . . 33 . . 205 GLY H . 50082 1 845 . 1 . 1 205 205 GLY C C 13 171.418 0.015 . 1 . . 626 . . 205 GLY C . 50082 1 846 . 1 . 1 205 205 GLY CA C 13 45.383 0.039 . 1 . . 627 . . 205 GLY CA . 50082 1 847 . 1 . 1 205 205 GLY N N 15 109.123 0.04 . 1 . . 32 . . 205 GLY N . 50082 1 848 . 1 . 1 206 206 MET H H 1 8.871 0.007 . 1 . . 197 . . 206 MET H . 50082 1 849 . 1 . 1 206 206 MET C C 13 177.299 0.036 . 1 . . 628 . . 206 MET C . 50082 1 850 . 1 . 1 206 206 MET CA C 13 53.061 0.15 . 1 . . 630 . . 206 MET CA . 50082 1 851 . 1 . 1 206 206 MET CB C 13 32.812 0.11 . 1 . . 629 . . 206 MET CB . 50082 1 852 . 1 . 1 206 206 MET N N 15 118.293 0.05 . 1 . . 196 . . 206 MET N . 50082 1 853 . 1 . 1 207 207 PHE H H 1 9.410 0.005 . 1 . . 123 . . 207 PHE H . 50082 1 854 . 1 . 1 207 207 PHE C C 13 170.678 0.064 . 1 . . 631 . . 207 PHE C . 50082 1 855 . 1 . 1 207 207 PHE CA C 13 55.107 0.126 . 1 . . 633 . . 207 PHE CA . 50082 1 856 . 1 . 1 207 207 PHE CB C 13 39.917 0.048 . 1 . . 632 . . 207 PHE CB . 50082 1 857 . 1 . 1 207 207 PHE N N 15 118.520 0.061 . 1 . . 122 . . 207 PHE N . 50082 1 858 . 1 . 1 208 208 PRO C C 13 178.189 0.021 . 1 . . 634 . . 208 PRO C . 50082 1 859 . 1 . 1 208 208 PRO CA C 13 60.582 0.094 . 1 . . 637 . . 208 PRO CA . 50082 1 860 . 1 . 1 208 208 PRO CB C 13 29.751 0.062 . 1 . . 636 . . 208 PRO CB . 50082 1 861 . 1 . 1 209 209 ARG H H 1 7.555 0.004 . 1 . . 207 . . 209 ARG H . 50082 1 862 . 1 . 1 209 209 ARG C C 13 177.085 0.014 . 1 . . 635 . . 209 ARG C . 50082 1 863 . 1 . 1 209 209 ARG CA C 13 57.275 0.09 . 1 . . 639 . . 209 ARG CA . 50082 1 864 . 1 . 1 209 209 ARG CB C 13 27.068 0.147 . 1 . . 638 . . 209 ARG CB . 50082 1 865 . 1 . 1 209 209 ARG N N 15 126.117 0.043 . 1 . . 206 . . 209 ARG N . 50082 1 866 . 1 . 1 210 210 ASN H H 1 8.349 0.006 . 1 . . 125 . . 210 ASN H . 50082 1 867 . 1 . 1 210 210 ASN C C 13 175.303 0.032 . 1 . . 640 . . 210 ASN C . 50082 1 868 . 1 . 1 210 210 ASN CA C 13 53.836 0.078 . 1 . . 642 . . 210 ASN CA . 50082 1 869 . 1 . 1 210 210 ASN CB C 13 36.312 0.158 . 1 . . 641 . . 210 ASN CB . 50082 1 870 . 1 . 1 210 210 ASN N N 15 114.590 0.074 . 1 . . 124 . . 210 ASN N . 50082 1 871 . 1 . 1 211 211 TYR H H 1 7.802 0.007 . 1 . . 225 . . 211 TYR H . 50082 1 872 . 1 . 1 211 211 TYR C C 13 175.458 0.024 . 1 . . 647 . . 211 TYR C . 50082 1 873 . 1 . 1 211 211 TYR CA C 13 58.086 0.067 . 1 . . 644 . . 211 TYR CA . 50082 1 874 . 1 . 1 211 211 TYR CB C 13 38.133 0.104 . 1 . . 643 . . 211 TYR CB . 50082 1 875 . 1 . 1 211 211 TYR N N 15 119.307 0.055 . 1 . . 224 . . 211 TYR N . 50082 1 876 . 1 . 1 212 212 VAL H H 1 7.478 0.004 . 1 . . 53 . . 212 VAL H . 50082 1 877 . 1 . 1 212 212 VAL C C 13 173.604 0.018 . 1 . . 648 . . 212 VAL C . 50082 1 878 . 1 . 1 212 212 VAL CA C 13 58.459 0.029 . 1 . . 645 . . 212 VAL CA . 50082 1 879 . 1 . 1 212 212 VAL CB C 13 35.095 0.134 . 1 . . 646 . . 212 VAL CB . 50082 1 880 . 1 . 1 212 212 VAL N N 15 110.421 0.037 . 1 . . 52 . . 212 VAL N . 50082 1 881 . 1 . 1 213 213 THR H H 1 8.533 0.01 . 1 . . 149 . . 213 THR H . 50082 1 882 . 1 . 1 213 213 THR C C 13 171.601 0.077 . 1 . . 649 . . 213 THR C . 50082 1 883 . 1 . 1 213 213 THR CA C 13 57.627 0.028 . 1 . . 650 . . 213 THR CA . 50082 1 884 . 1 . 1 213 213 THR CB C 13 71.905 0.037 . 1 . . 651 . . 213 THR CB . 50082 1 885 . 1 . 1 213 213 THR N N 15 114.500 0.051 . 1 . . 148 . . 213 THR N . 50082 1 886 . 1 . 1 214 214 PRO C C 13 176.364 0.018 . 1 . . 652 . . 214 PRO C . 50082 1 887 . 1 . 1 214 214 PRO CA C 13 63.426 0.044 . 1 . . 654 . . 214 PRO CA . 50082 1 888 . 1 . 1 214 214 PRO CB C 13 31.886 0.092 . 1 . . 656 . . 214 PRO CB . 50082 1 889 . 1 . 1 215 215 VAL H H 1 7.990 0.004 . 1 . . 85 . . 215 VAL H . 50082 1 890 . 1 . 1 215 215 VAL C C 13 175.119 0.053 . 1 . . 653 . . 215 VAL C . 50082 1 891 . 1 . 1 215 215 VAL CA C 13 61.206 0.035 . 1 . . 655 . . 215 VAL CA . 50082 1 892 . 1 . 1 215 215 VAL CB C 13 32.996 0.047 . 1 . . 657 . . 215 VAL CB . 50082 1 893 . 1 . 1 215 215 VAL N N 15 119.688 0.055 . 1 . . 84 . . 215 VAL N . 50082 1 894 . 1 . 1 218 218 ASN C C 13 174.022 0.02 . 1 . . 662 . . 218 ASN C . 50082 1 895 . 1 . 1 218 218 ASN CA C 13 53.154 0.055 . 1 . . 659 . . 218 ASN CA . 50082 1 896 . 1 . 1 218 218 ASN CB C 13 38.450 0.024 . 1 . . 658 . . 218 ASN CB . 50082 1 897 . 1 . 1 219 219 VAL H H 1 7.475 0.006 . 1 . . 5 . . 219 VAL H . 50082 1 898 . 1 . 1 219 219 VAL C C 13 180.763 0.033 . 1 . . 663 . . 219 VAL C . 50082 1 899 . 1 . 1 219 219 VAL CA C 13 63.109 0.078 . 1 . . 661 . . 219 VAL CA . 50082 1 900 . 1 . 1 219 219 VAL CB C 13 32.524 0.024 . 1 . . 660 . . 219 VAL CB . 50082 1 901 . 1 . 1 219 219 VAL N N 15 124.131 0.043 . 1 . . 4 . . 219 VAL N . 50082 1 stop_ save_