data_50889 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50889 _Entry.Title ; NMR backbone assignment of the mitochondrial membrane protein MPV17 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-04-14 _Entry.Accession_date 2021-04-14 _Entry.Last_release_date 2021-04-14 _Entry.Original_release_date 2021-04-14 _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 'MPV17 wild-type in DPC micelles' _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 Laura Sperl . E. . . 50889 2 Franz Hagn . X. . 0000-0002-1315-459X 50889 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Structural Membrane Biochemistry; TUM' . 50889 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50889 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 466 50889 '15N chemical shifts' 149 50889 '1H chemical shifts' 149 50889 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 . . 2021-06-25 . original BMRB . 50889 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50890 'mitochondrial membrane protein MPV17 without cysteine residues' 50889 BMRB 50891 'mitochondrial membrane protein MPV17 labeled with MMTS in DPC micelles' 50889 SP P39210 . 50889 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50889 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34116124 _Citation.DOI 10.1016/j.jmb.2021.167098 _Citation.Full_citation . _Citation.Title ; NMR Structural and Biophysical Analysis of the Disease-Linked Inner Mitochondrial Membrane Protein MPV17. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 433 _Citation.Journal_issue 15 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _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 167098 _Citation.Page_last 167098 _Citation.Year 2021 _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 Laura Sperl . E. . . 50889 1 2 Franz Hagn . X. . . 50889 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'dynamics, membrane, mitochondria, reactive oxygen species, stability, structure' 50889 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50889 _Assembly.ID 1 _Assembly.Name 'MPV17 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 MPV17 1 $entity_1 . . yes native no no . . . 50889 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50889 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MALWRAYQRALAAHPWKVQV LTAGSLMGLGDIISQQLVER RGLQEHQRGRTLTMVSLGCG FVGPVVGGWYKVLDRFIPGT TKVDALKKMLLDQGGFAPCF LGCFLPLVGALNGLSAQDNW AKLQRDYPDALITNYYLWPA VQLANFYLVPLHYRLAVVQC VAVIWNSYLSWKAHRL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 176 _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes SP P39210 . MPV17 . . . . . . . . . . . . . . 50889 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 50889 1 2 . ALA . 50889 1 3 . LEU . 50889 1 4 . TRP . 50889 1 5 . ARG . 50889 1 6 . ALA . 50889 1 7 . TYR . 50889 1 8 . GLN . 50889 1 9 . ARG . 50889 1 10 . ALA . 50889 1 11 . LEU . 50889 1 12 . ALA . 50889 1 13 . ALA . 50889 1 14 . HIS . 50889 1 15 . PRO . 50889 1 16 . TRP . 50889 1 17 . LYS . 50889 1 18 . VAL . 50889 1 19 . GLN . 50889 1 20 . VAL . 50889 1 21 . LEU . 50889 1 22 . THR . 50889 1 23 . ALA . 50889 1 24 . GLY . 50889 1 25 . SER . 50889 1 26 . LEU . 50889 1 27 . MET . 50889 1 28 . GLY . 50889 1 29 . LEU . 50889 1 30 . GLY . 50889 1 31 . ASP . 50889 1 32 . ILE . 50889 1 33 . ILE . 50889 1 34 . SER . 50889 1 35 . GLN . 50889 1 36 . GLN . 50889 1 37 . LEU . 50889 1 38 . VAL . 50889 1 39 . GLU . 50889 1 40 . ARG . 50889 1 41 . ARG . 50889 1 42 . GLY . 50889 1 43 . LEU . 50889 1 44 . GLN . 50889 1 45 . GLU . 50889 1 46 . HIS . 50889 1 47 . GLN . 50889 1 48 . ARG . 50889 1 49 . GLY . 50889 1 50 . ARG . 50889 1 51 . THR . 50889 1 52 . LEU . 50889 1 53 . THR . 50889 1 54 . MET . 50889 1 55 . VAL . 50889 1 56 . SER . 50889 1 57 . LEU . 50889 1 58 . GLY . 50889 1 59 . CYS . 50889 1 60 . GLY . 50889 1 61 . PHE . 50889 1 62 . VAL . 50889 1 63 . GLY . 50889 1 64 . PRO . 50889 1 65 . VAL . 50889 1 66 . VAL . 50889 1 67 . GLY . 50889 1 68 . GLY . 50889 1 69 . TRP . 50889 1 70 . TYR . 50889 1 71 . LYS . 50889 1 72 . VAL . 50889 1 73 . LEU . 50889 1 74 . ASP . 50889 1 75 . ARG . 50889 1 76 . PHE . 50889 1 77 . ILE . 50889 1 78 . PRO . 50889 1 79 . GLY . 50889 1 80 . THR . 50889 1 81 . THR . 50889 1 82 . LYS . 50889 1 83 . VAL . 50889 1 84 . ASP . 50889 1 85 . ALA . 50889 1 86 . LEU . 50889 1 87 . LYS . 50889 1 88 . LYS . 50889 1 89 . MET . 50889 1 90 . LEU . 50889 1 91 . LEU . 50889 1 92 . ASP . 50889 1 93 . GLN . 50889 1 94 . GLY . 50889 1 95 . GLY . 50889 1 96 . PHE . 50889 1 97 . ALA . 50889 1 98 . PRO . 50889 1 99 . CYS . 50889 1 100 . PHE . 50889 1 101 . LEU . 50889 1 102 . GLY . 50889 1 103 . CYS . 50889 1 104 . PHE . 50889 1 105 . LEU . 50889 1 106 . PRO . 50889 1 107 . LEU . 50889 1 108 . VAL . 50889 1 109 . GLY . 50889 1 110 . ALA . 50889 1 111 . LEU . 50889 1 112 . ASN . 50889 1 113 . GLY . 50889 1 114 . LEU . 50889 1 115 . SER . 50889 1 116 . ALA . 50889 1 117 . GLN . 50889 1 118 . ASP . 50889 1 119 . ASN . 50889 1 120 . TRP . 50889 1 121 . ALA . 50889 1 122 . LYS . 50889 1 123 . LEU . 50889 1 124 . GLN . 50889 1 125 . ARG . 50889 1 126 . ASP . 50889 1 127 . TYR . 50889 1 128 . PRO . 50889 1 129 . ASP . 50889 1 130 . ALA . 50889 1 131 . LEU . 50889 1 132 . ILE . 50889 1 133 . THR . 50889 1 134 . ASN . 50889 1 135 . TYR . 50889 1 136 . TYR . 50889 1 137 . LEU . 50889 1 138 . TRP . 50889 1 139 . PRO . 50889 1 140 . ALA . 50889 1 141 . VAL . 50889 1 142 . GLN . 50889 1 143 . LEU . 50889 1 144 . ALA . 50889 1 145 . ASN . 50889 1 146 . PHE . 50889 1 147 . TYR . 50889 1 148 . LEU . 50889 1 149 . VAL . 50889 1 150 . PRO . 50889 1 151 . LEU . 50889 1 152 . HIS . 50889 1 153 . TYR . 50889 1 154 . ARG . 50889 1 155 . LEU . 50889 1 156 . ALA . 50889 1 157 . VAL . 50889 1 158 . VAL . 50889 1 159 . GLN . 50889 1 160 . CYS . 50889 1 161 . VAL . 50889 1 162 . ALA . 50889 1 163 . VAL . 50889 1 164 . ILE . 50889 1 165 . TRP . 50889 1 166 . ASN . 50889 1 167 . SER . 50889 1 168 . TYR . 50889 1 169 . LEU . 50889 1 170 . SER . 50889 1 171 . TRP . 50889 1 172 . LYS . 50889 1 173 . ALA . 50889 1 174 . HIS . 50889 1 175 . ARG . 50889 1 176 . LEU . 50889 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 50889 1 . ALA 2 2 50889 1 . LEU 3 3 50889 1 . TRP 4 4 50889 1 . ARG 5 5 50889 1 . ALA 6 6 50889 1 . TYR 7 7 50889 1 . GLN 8 8 50889 1 . ARG 9 9 50889 1 . ALA 10 10 50889 1 . LEU 11 11 50889 1 . ALA 12 12 50889 1 . ALA 13 13 50889 1 . HIS 14 14 50889 1 . PRO 15 15 50889 1 . TRP 16 16 50889 1 . LYS 17 17 50889 1 . VAL 18 18 50889 1 . GLN 19 19 50889 1 . VAL 20 20 50889 1 . LEU 21 21 50889 1 . THR 22 22 50889 1 . ALA 23 23 50889 1 . GLY 24 24 50889 1 . SER 25 25 50889 1 . LEU 26 26 50889 1 . MET 27 27 50889 1 . GLY 28 28 50889 1 . LEU 29 29 50889 1 . GLY 30 30 50889 1 . ASP 31 31 50889 1 . ILE 32 32 50889 1 . ILE 33 33 50889 1 . SER 34 34 50889 1 . GLN 35 35 50889 1 . GLN 36 36 50889 1 . LEU 37 37 50889 1 . VAL 38 38 50889 1 . GLU 39 39 50889 1 . ARG 40 40 50889 1 . ARG 41 41 50889 1 . GLY 42 42 50889 1 . LEU 43 43 50889 1 . GLN 44 44 50889 1 . GLU 45 45 50889 1 . HIS 46 46 50889 1 . GLN 47 47 50889 1 . ARG 48 48 50889 1 . GLY 49 49 50889 1 . ARG 50 50 50889 1 . THR 51 51 50889 1 . LEU 52 52 50889 1 . THR 53 53 50889 1 . MET 54 54 50889 1 . VAL 55 55 50889 1 . SER 56 56 50889 1 . LEU 57 57 50889 1 . GLY 58 58 50889 1 . CYS 59 59 50889 1 . GLY 60 60 50889 1 . PHE 61 61 50889 1 . VAL 62 62 50889 1 . GLY 63 63 50889 1 . PRO 64 64 50889 1 . VAL 65 65 50889 1 . VAL 66 66 50889 1 . GLY 67 67 50889 1 . GLY 68 68 50889 1 . TRP 69 69 50889 1 . TYR 70 70 50889 1 . LYS 71 71 50889 1 . VAL 72 72 50889 1 . LEU 73 73 50889 1 . ASP 74 74 50889 1 . ARG 75 75 50889 1 . PHE 76 76 50889 1 . ILE 77 77 50889 1 . PRO 78 78 50889 1 . GLY 79 79 50889 1 . THR 80 80 50889 1 . THR 81 81 50889 1 . LYS 82 82 50889 1 . VAL 83 83 50889 1 . ASP 84 84 50889 1 . ALA 85 85 50889 1 . LEU 86 86 50889 1 . LYS 87 87 50889 1 . LYS 88 88 50889 1 . MET 89 89 50889 1 . LEU 90 90 50889 1 . LEU 91 91 50889 1 . ASP 92 92 50889 1 . GLN 93 93 50889 1 . GLY 94 94 50889 1 . GLY 95 95 50889 1 . PHE 96 96 50889 1 . ALA 97 97 50889 1 . PRO 98 98 50889 1 . CYS 99 99 50889 1 . PHE 100 100 50889 1 . LEU 101 101 50889 1 . GLY 102 102 50889 1 . CYS 103 103 50889 1 . PHE 104 104 50889 1 . LEU 105 105 50889 1 . PRO 106 106 50889 1 . LEU 107 107 50889 1 . VAL 108 108 50889 1 . GLY 109 109 50889 1 . ALA 110 110 50889 1 . LEU 111 111 50889 1 . ASN 112 112 50889 1 . GLY 113 113 50889 1 . LEU 114 114 50889 1 . SER 115 115 50889 1 . ALA 116 116 50889 1 . GLN 117 117 50889 1 . ASP 118 118 50889 1 . ASN 119 119 50889 1 . TRP 120 120 50889 1 . ALA 121 121 50889 1 . LYS 122 122 50889 1 . LEU 123 123 50889 1 . GLN 124 124 50889 1 . ARG 125 125 50889 1 . ASP 126 126 50889 1 . TYR 127 127 50889 1 . PRO 128 128 50889 1 . ASP 129 129 50889 1 . ALA 130 130 50889 1 . LEU 131 131 50889 1 . ILE 132 132 50889 1 . THR 133 133 50889 1 . ASN 134 134 50889 1 . TYR 135 135 50889 1 . TYR 136 136 50889 1 . LEU 137 137 50889 1 . TRP 138 138 50889 1 . PRO 139 139 50889 1 . ALA 140 140 50889 1 . VAL 141 141 50889 1 . GLN 142 142 50889 1 . LEU 143 143 50889 1 . ALA 144 144 50889 1 . ASN 145 145 50889 1 . PHE 146 146 50889 1 . TYR 147 147 50889 1 . LEU 148 148 50889 1 . VAL 149 149 50889 1 . PRO 150 150 50889 1 . LEU 151 151 50889 1 . HIS 152 152 50889 1 . TYR 153 153 50889 1 . ARG 154 154 50889 1 . LEU 155 155 50889 1 . ALA 156 156 50889 1 . VAL 157 157 50889 1 . VAL 158 158 50889 1 . GLN 159 159 50889 1 . CYS 160 160 50889 1 . VAL 161 161 50889 1 . ALA 162 162 50889 1 . VAL 163 163 50889 1 . ILE 164 164 50889 1 . TRP 165 165 50889 1 . ASN 166 166 50889 1 . SER 167 167 50889 1 . TYR 168 168 50889 1 . LEU 169 169 50889 1 . SER 170 170 50889 1 . TRP 171 171 50889 1 . LYS 172 172 50889 1 . ALA 173 173 50889 1 . HIS 174 174 50889 1 . ARG 175 175 50889 1 . LEU 176 176 50889 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 50889 _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 . . . . . . . . . . . . . 50889 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 50889 _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 . . pET15b-GB1 . . . 50889 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50889 _Sample.ID 1 _Sample.Name DCN _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 400 uM DCN-labeled MPV17 wt in DPC micelles in 20 mM NaPi pH7.0, 50 mM NaCl, 0.5 mM EDTA, 5mM DTT, 300 mM DPC ; _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 'MPV17 monomer' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 400 . . uM . . . . 50889 1 2 NaPi 'natural abundance' . . . . . . 20 . . mM . . . . 50889 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 50889 1 4 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 50889 1 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 50889 1 6 DPC 'natural abundance' . . . . . . 300 . . mM . . . . 50889 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 50889 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NMR sample' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 50889 1 pH 7.0 . pH 50889 1 pressure 1 . atm 50889 1 temperature 310 . K 50889 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50889 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50889 1 processing . 50889 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50889 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50889 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50889 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50889 3 'data analysis' . 50889 3 'peak picking' . 50889 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50889 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Avance 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 50889 _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 '1D 1H' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50889 1 2 '2D 1H-15N TROSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50889 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50889 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50889 1 5 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50889 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50889 1 7 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50889 1 8 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50889 1 9 '3D 15N-separated NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50889 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 50889 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 external indirect . . . . . . 50889 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 50889 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect . . . . . . 50889 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 50889 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name MPV17wt.str _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1D 1H' . . . 50889 1 2 '2D 1H-15N TROSY' . . . 50889 1 3 '3D HNCO' . . . 50889 1 4 '3D HNCA' . . . 50889 1 5 '3D HN(CA)CO' . . . 50889 1 6 '3D HNCACB' . . . 50889 1 7 '3D HN(CO)CA' . . . 50889 1 8 '3D HN(CO)CACB' . . . 50889 1 9 '3D 15N-separated NOESY' . . . 50889 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50889 1 2 $software_2 . . 50889 1 3 $software_3 . . 50889 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET C C 13 175.188 . . . . . . . . 1 M C . 50889 1 2 . 1 . 1 1 1 MET CA C 13 56.599 . . . . . . . . 1 M CA . 50889 1 3 . 1 . 1 1 1 MET CB C 13 30.948 . . . . . . . . 1 M CB . 50889 1 4 . 1 . 1 2 2 ALA H H 1 8.047 . . . . . . . . 2 A H . 50889 1 5 . 1 . 1 2 2 ALA C C 13 177.717 . . . . . . . . 2 A C . 50889 1 6 . 1 . 1 2 2 ALA CA C 13 54.531 . . . . . . . . 2 A CA . 50889 1 7 . 1 . 1 2 2 ALA CB C 13 17.529 . . . . . . . . 2 A CB . 50889 1 8 . 1 . 1 2 2 ALA N N 15 123.469 . . . . . . . . 2 A N . 50889 1 9 . 1 . 1 3 3 LEU H H 1 8.068 . . . . . . . . 3 L H . 50889 1 10 . 1 . 1 3 3 LEU C C 13 175.611 . . . . . . . . 3 L C . 50889 1 11 . 1 . 1 3 3 LEU CA C 13 57.381 . . . . . . . . 3 L CA . 50889 1 12 . 1 . 1 3 3 LEU CB C 13 40.680 . . . . . . . . 3 L CB . 50889 1 13 . 1 . 1 3 3 LEU N N 15 120.017 . . . . . . . . 3 L N . 50889 1 14 . 1 . 1 4 4 TRP H H 1 8.083 . . . . . . . . 4 W H . 50889 1 15 . 1 . 1 4 4 TRP C C 13 175.495 . . . . . . . . 4 W C . 50889 1 16 . 1 . 1 4 4 TRP CA C 13 59.773 . . . . . . . . 4 W CA . 50889 1 17 . 1 . 1 4 4 TRP CB C 13 28.502 . . . . . . . . 4 W CB . 50889 1 18 . 1 . 1 4 4 TRP N N 15 120.052 . . . . . . . . 4 W N . 50889 1 19 . 1 . 1 5 5 ARG H H 1 8.322 . . . . . . . . 5 R H . 50889 1 20 . 1 . 1 5 5 ARG C C 13 176.452 . . . . . . . . 5 R C . 50889 1 21 . 1 . 1 5 5 ARG CA C 13 58.913 . . . . . . . . 5 R CA . 50889 1 22 . 1 . 1 5 5 ARG CB C 13 28.972 . . . . . . . . 5 R CB . 50889 1 23 . 1 . 1 5 5 ARG N N 15 118.377 . . . . . . . . 5 R N . 50889 1 24 . 1 . 1 6 6 ALA H H 1 7.918 . . . . . . . . 6 A H . 50889 1 25 . 1 . 1 6 6 ALA C C 13 176.869 . . . . . . . . 6 A C . 50889 1 26 . 1 . 1 6 6 ALA CA C 13 54.765 . . . . . . . . 6 A CA . 50889 1 27 . 1 . 1 6 6 ALA CB C 13 17.276 . . . . . . . . 6 A CB . 50889 1 28 . 1 . 1 6 6 ALA N N 15 122.739 . . . . . . . . 6 A N . 50889 1 29 . 1 . 1 7 7 TYR H H 1 8.213 . . . . . . . . 7 Y H . 50889 1 30 . 1 . 1 7 7 TYR C C 13 174.135 . . . . . . . . 7 Y C . 50889 1 31 . 1 . 1 7 7 TYR CA C 13 60.445 . . . . . . . . 7 Y CA . 50889 1 32 . 1 . 1 7 7 TYR CB C 13 37.312 . . . . . . . . 7 Y CB . 50889 1 33 . 1 . 1 7 7 TYR N N 15 120.002 . . . . . . . . 7 Y N . 50889 1 34 . 1 . 1 8 8 GLN H H 1 8.139 . . . . . . . . 8 Q H . 50889 1 35 . 1 . 1 8 8 GLN C C 13 176.309 . . . . . . . . 8 Q C . 50889 1 36 . 1 . 1 8 8 GLN CA C 13 58.564 . . . . . . . . 8 Q CA . 50889 1 37 . 1 . 1 8 8 GLN CB C 13 27.527 . . . . . . . . 8 Q CB . 50889 1 38 . 1 . 1 8 8 GLN N N 15 117.962 . . . . . . . . 8 Q N . 50889 1 39 . 1 . 1 9 9 ARG H H 1 7.907 . . . . . . . . 9 R H . 50889 1 40 . 1 . 1 9 9 ARG C C 13 175.981 . . . . . . . . 9 R C . 50889 1 41 . 1 . 1 9 9 ARG CA C 13 58.261 . . . . . . . . 9 R CA . 50889 1 42 . 1 . 1 9 9 ARG CB C 13 28.994 . . . . . . . . 9 R CB . 50889 1 43 . 1 . 1 9 9 ARG N N 15 119.214 . . . . . . . . 9 R N . 50889 1 44 . 1 . 1 10 10 ALA H H 1 7.964 . . . . . . . . 10 A H . 50889 1 45 . 1 . 1 10 10 ALA C C 13 176.531 . . . . . . . . 10 A C . 50889 1 46 . 1 . 1 10 10 ALA CA C 13 54.279 . . . . . . . . 10 A CA . 50889 1 47 . 1 . 1 10 10 ALA CB C 13 17.657 . . . . . . . . 10 A CB . 50889 1 48 . 1 . 1 10 10 ALA N N 15 122.522 . . . . . . . . 10 A N . 50889 1 49 . 1 . 1 11 11 LEU H H 1 7.883 . . . . . . . . 11 L H . 50889 1 50 . 1 . 1 11 11 LEU C C 13 175.680 . . . . . . . . 11 L C . 50889 1 51 . 1 . 1 11 11 LEU CA C 13 56.395 . . . . . . . . 11 L CA . 50889 1 52 . 1 . 1 11 11 LEU CB C 13 41.082 . . . . . . . . 11 L CB . 50889 1 53 . 1 . 1 11 11 LEU N N 15 117.465 . . . . . . . . 11 L N . 50889 1 54 . 1 . 1 12 12 ALA H H 1 7.426 . . . . . . . . 12 A H . 50889 1 55 . 1 . 1 12 12 ALA C C 13 175.523 . . . . . . . . 12 A C . 50889 1 56 . 1 . 1 12 12 ALA CA C 13 53.116 . . . . . . . . 12 A CA . 50889 1 57 . 1 . 1 12 12 ALA CB C 13 17.946 . . . . . . . . 12 A CB . 50889 1 58 . 1 . 1 12 12 ALA N N 15 119.758 . . . . . . . . 12 A N . 50889 1 59 . 1 . 1 13 13 ALA H H 1 7.557 . . . . . . . . 13 A H . 50889 1 60 . 1 . 1 13 13 ALA C C 13 174.388 . . . . . . . . 13 A C . 50889 1 61 . 1 . 1 13 13 ALA CA C 13 51.989 . . . . . . . . 13 A CA . 50889 1 62 . 1 . 1 13 13 ALA CB C 13 18.584 . . . . . . . . 13 A CB . 50889 1 63 . 1 . 1 13 13 ALA N N 15 119.747 . . . . . . . . 13 A N . 50889 1 64 . 1 . 1 14 14 HIS H H 1 7.684 . . . . . . . . 14 H H . 50889 1 65 . 1 . 1 14 14 HIS C C 13 171.048 . . . . . . . . 14 H C . 50889 1 66 . 1 . 1 14 14 HIS CA C 13 54.669 . . . . . . . . 14 H CA . 50889 1 67 . 1 . 1 14 14 HIS CB C 13 30.159 . . . . . . . . 14 H CB . 50889 1 68 . 1 . 1 14 14 HIS N N 15 118.832 . . . . . . . . 14 H N . 50889 1 69 . 1 . 1 15 15 PRO C C 13 174.777 . . . . . . . . 15 P C . 50889 1 70 . 1 . 1 15 15 PRO CA C 13 63.627 . . . . . . . . 15 P CA . 50889 1 71 . 1 . 1 15 15 PRO CB C 13 33.996 . . . . . . . . 15 P CB . 50889 1 72 . 1 . 1 16 16 TRP H H 1 8.619 . . . . . . . . 16 W H . 50889 1 73 . 1 . 1 16 16 TRP C C 13 174.169 . . . . . . . . 16 W C . 50889 1 74 . 1 . 1 16 16 TRP CA C 13 57.739 . . . . . . . . 16 W CA . 50889 1 75 . 1 . 1 16 16 TRP CB C 13 28.453 . . . . . . . . 16 W CB . 50889 1 76 . 1 . 1 16 16 TRP N N 15 121.390 . . . . . . . . 16 W N . 50889 1 77 . 1 . 1 17 17 LYS H H 1 8.046 . . . . . . . . 17 K H . 50889 1 78 . 1 . 1 17 17 LYS C C 13 174.456 . . . . . . . . 17 K C . 50889 1 79 . 1 . 1 17 17 LYS CA C 13 57.674 . . . . . . . . 17 K CA . 50889 1 80 . 1 . 1 17 17 LYS CB C 13 31.706 . . . . . . . . 17 K CB . 50889 1 81 . 1 . 1 17 17 LYS N N 15 121.140 . . . . . . . . 17 K N . 50889 1 82 . 1 . 1 18 18 VAL H H 1 7.777 . . . . . . . . 18 V H . 50889 1 83 . 1 . 1 18 18 VAL C C 13 174.477 . . . . . . . . 18 V C . 50889 1 84 . 1 . 1 18 18 VAL CA C 13 63.492 . . . . . . . . 18 V CA . 50889 1 85 . 1 . 1 18 18 VAL CB C 13 31.436 . . . . . . . . 18 V CB . 50889 1 86 . 1 . 1 18 18 VAL N N 15 118.517 . . . . . . . . 18 V N . 50889 1 87 . 1 . 1 19 19 GLN H H 1 8.231 . . . . . . . . 19 Q H . 50889 1 88 . 1 . 1 19 19 GLN C C 13 174.429 . . . . . . . . 19 Q C . 50889 1 89 . 1 . 1 19 19 GLN CA C 13 57.319 . . . . . . . . 19 Q CA . 50889 1 90 . 1 . 1 19 19 GLN CB C 13 28.187 . . . . . . . . 19 Q CB . 50889 1 91 . 1 . 1 19 19 GLN N N 15 122.238 . . . . . . . . 19 Q N . 50889 1 92 . 1 . 1 20 20 VAL H H 1 8.024 . . . . . . . . 20 V H . 50889 1 93 . 1 . 1 20 20 VAL C C 13 173.814 . . . . . . . . 20 V C . 50889 1 94 . 1 . 1 20 20 VAL CA C 13 63.922 . . . . . . . . 20 V CA . 50889 1 95 . 1 . 1 20 20 VAL CB C 13 31.300 . . . . . . . . 20 V CB . 50889 1 96 . 1 . 1 20 20 VAL N N 15 118.888 . . . . . . . . 20 V N . 50889 1 97 . 1 . 1 21 21 LEU H H 1 7.931 . . . . . . . . 21 L H . 50889 1 98 . 1 . 1 21 21 LEU C C 13 174.805 . . . . . . . . 21 L C . 50889 1 99 . 1 . 1 21 21 LEU CA C 13 55.590 . . . . . . . . 21 L CA . 50889 1 100 . 1 . 1 21 21 LEU CB C 13 40.938 . . . . . . . . 21 L CB . 50889 1 101 . 1 . 1 21 21 LEU N N 15 121.057 . . . . . . . . 21 L N . 50889 1 102 . 1 . 1 22 22 THR H H 1 7.908 . . . . . . . . 22 T H . 50889 1 103 . 1 . 1 22 22 THR C C 13 172.658 . . . . . . . . 22 T C . 50889 1 104 . 1 . 1 22 22 THR CA C 13 62.148 . . . . . . . . 22 T CA . 50889 1 105 . 1 . 1 22 22 THR CB C 13 69.534 . . . . . . . . 22 T CB . 50889 1 106 . 1 . 1 22 22 THR N N 15 112.641 . . . . . . . . 22 T N . 50889 1 107 . 1 . 1 23 23 ALA H H 1 8.413 . . . . . . . . 23 A H . 50889 1 108 . 1 . 1 23 23 ALA C C 13 176.418 . . . . . . . . 23 A C . 50889 1 109 . 1 . 1 23 23 ALA CA C 13 53.961 . . . . . . . . 23 A CA . 50889 1 110 . 1 . 1 23 23 ALA CB C 13 17.780 . . . . . . . . 23 A CB . 50889 1 111 . 1 . 1 23 23 ALA N N 15 125.178 . . . . . . . . 23 A N . 50889 1 112 . 1 . 1 24 24 GLY H H 1 8.419 . . . . . . . . 24 G H . 50889 1 113 . 1 . 1 24 24 GLY C C 13 172.836 . . . . . . . . 24 G C . 50889 1 114 . 1 . 1 24 24 GLY CA C 13 46.073 . . . . . . . . 24 G CA . 50889 1 115 . 1 . 1 24 24 GLY N N 15 106.206 . . . . . . . . 24 G N . 50889 1 116 . 1 . 1 25 25 SER H H 1 8.035 . . . . . . . . 25 S H . 50889 1 117 . 1 . 1 25 25 SER C C 13 173.157 . . . . . . . . 25 S C . 50889 1 118 . 1 . 1 25 25 SER CA C 13 59.852 . . . . . . . . 25 S CA . 50889 1 119 . 1 . 1 25 25 SER CB C 13 63.074 . . . . . . . . 25 S CB . 50889 1 120 . 1 . 1 25 25 SER N N 15 117.334 . . . . . . . . 25 S N . 50889 1 121 . 1 . 1 26 26 LEU H H 1 8.268 . . . . . . . . 26 L H . 50889 1 122 . 1 . 1 26 26 LEU C C 13 175.386 . . . . . . . . 26 L C . 50889 1 123 . 1 . 1 26 26 LEU CA C 13 56.312 . . . . . . . . 26 L CA . 50889 1 124 . 1 . 1 26 26 LEU CB C 13 40.731 . . . . . . . . 26 L CB . 50889 1 125 . 1 . 1 26 26 LEU N N 15 122.530 . . . . . . . . 26 L N . 50889 1 126 . 1 . 1 27 27 MET H H 1 8.024 . . . . . . . . 27 M H . 50889 1 127 . 1 . 1 27 27 MET C C 13 174.846 . . . . . . . . 27 M C . 50889 1 128 . 1 . 1 27 27 MET CA C 13 56.915 . . . . . . . . 27 M CA . 50889 1 129 . 1 . 1 27 27 MET CB C 13 31.660 . . . . . . . . 27 M CB . 50889 1 130 . 1 . 1 27 27 MET N N 15 117.313 . . . . . . . . 27 M N . 50889 1 131 . 1 . 1 28 28 GLY H H 1 8.195 . . . . . . . . 28 G H . 50889 1 132 . 1 . 1 28 28 GLY C C 13 173.567 . . . . . . . . 28 G C . 50889 1 133 . 1 . 1 28 28 GLY CA C 13 45.829 . . . . . . . . 28 G CA . 50889 1 134 . 1 . 1 28 28 GLY N N 15 108.247 . . . . . . . . 28 G N . 50889 1 135 . 1 . 1 29 29 LEU H H 1 8.036 . . . . . . . . 29 L H . 50889 1 136 . 1 . 1 29 29 LEU C C 13 175.953 . . . . . . . . 29 L C . 50889 1 137 . 1 . 1 29 29 LEU CA C 13 56.875 . . . . . . . . 29 L CA . 50889 1 138 . 1 . 1 29 29 LEU CB C 13 40.958 . . . . . . . . 29 L CB . 50889 1 139 . 1 . 1 29 29 LEU N N 15 121.784 . . . . . . . . 29 L N . 50889 1 140 . 1 . 1 30 30 GLY H H 1 8.564 . . . . . . . . 30 G H . 50889 1 141 . 1 . 1 30 30 GLY C C 13 173.000 . . . . . . . . 30 G C . 50889 1 142 . 1 . 1 30 30 GLY CA C 13 47.173 . . . . . . . . 30 G CA . 50889 1 143 . 1 . 1 30 30 GLY N N 15 107.054 . . . . . . . . 30 G N . 50889 1 144 . 1 . 1 31 31 ASP H H 1 7.933 . . . . . . . . 31 D H . 50889 1 145 . 1 . 1 31 31 ASP C C 13 175.721 . . . . . . . . 31 D C . 50889 1 146 . 1 . 1 31 31 ASP CA C 13 56.817 . . . . . . . . 31 D CA . 50889 1 147 . 1 . 1 31 31 ASP CB C 13 40.221 . . . . . . . . 31 D CB . 50889 1 148 . 1 . 1 31 31 ASP N N 15 122.289 . . . . . . . . 31 D N . 50889 1 149 . 1 . 1 32 32 ILE H H 1 7.625 . . . . . . . . 32 I H . 50889 1 150 . 1 . 1 32 32 ILE C C 13 175.652 . . . . . . . . 32 I C . 50889 1 151 . 1 . 1 32 32 ILE CA C 13 64.028 . . . . . . . . 32 I CA . 50889 1 152 . 1 . 1 32 32 ILE CB C 13 37.234 . . . . . . . . 32 I CB . 50889 1 153 . 1 . 1 32 32 ILE N N 15 120.351 . . . . . . . . 32 I N . 50889 1 154 . 1 . 1 33 33 ILE H H 1 8.122 . . . . . . . . 33 I H . 50889 1 155 . 1 . 1 33 33 ILE C C 13 174.921 . . . . . . . . 33 I C . 50889 1 156 . 1 . 1 33 33 ILE CA C 13 64.511 . . . . . . . . 33 I CA . 50889 1 157 . 1 . 1 33 33 ILE CB C 13 36.757 . . . . . . . . 33 I CB . 50889 1 158 . 1 . 1 33 33 ILE N N 15 119.833 . . . . . . . . 33 I N . 50889 1 159 . 1 . 1 34 34 SER H H 1 8.233 . . . . . . . . 34 S H . 50889 1 160 . 1 . 1 34 34 SER C C 13 173.909 . . . . . . . . 34 S C . 50889 1 161 . 1 . 1 34 34 SER CA C 13 61.555 . . . . . . . . 34 S CA . 50889 1 162 . 1 . 1 34 34 SER CB C 13 62.340 . . . . . . . . 34 S CB . 50889 1 163 . 1 . 1 34 34 SER N N 15 115.125 . . . . . . . . 34 S N . 50889 1 164 . 1 . 1 35 35 GLN H H 1 8.004 . . . . . . . . 35 Q H . 50889 1 165 . 1 . 1 35 35 GLN C C 13 175.570 . . . . . . . . 35 Q C . 50889 1 166 . 1 . 1 35 35 GLN CA C 13 58.001 . . . . . . . . 35 Q CA . 50889 1 167 . 1 . 1 35 35 GLN CB C 13 27.678 . . . . . . . . 35 Q CB . 50889 1 168 . 1 . 1 35 35 GLN N N 15 119.836 . . . . . . . . 35 Q N . 50889 1 169 . 1 . 1 36 36 GLN H H 1 7.966 . . . . . . . . 36 Q H . 50889 1 170 . 1 . 1 36 36 GLN C C 13 175.078 . . . . . . . . 36 Q C . 50889 1 171 . 1 . 1 36 36 GLN CA C 13 56.841 . . . . . . . . 36 Q CA . 50889 1 172 . 1 . 1 36 36 GLN CB C 13 27.604 . . . . . . . . 36 Q CB . 50889 1 173 . 1 . 1 36 36 GLN N N 15 117.230 . . . . . . . . 36 Q N . 50889 1 174 . 1 . 1 37 37 LEU H H 1 7.958 . . . . . . . . 37 L H . 50889 1 175 . 1 . 1 37 37 LEU C C 13 175.509 . . . . . . . . 37 L C . 50889 1 176 . 1 . 1 37 37 LEU CA C 13 56.460 . . . . . . . . 37 L CA . 50889 1 177 . 1 . 1 37 37 LEU CB C 13 41.062 . . . . . . . . 37 L CB . 50889 1 178 . 1 . 1 37 37 LEU N N 15 119.040 . . . . . . . . 37 L N . 50889 1 179 . 1 . 1 38 38 VAL H H 1 7.699 . . . . . . . . 38 V H . 50889 1 180 . 1 . 1 38 38 VAL C C 13 174.928 . . . . . . . . 38 V C . 50889 1 181 . 1 . 1 38 38 VAL CA C 13 64.088 . . . . . . . . 38 V CA . 50889 1 182 . 1 . 1 38 38 VAL CB C 13 31.351 . . . . . . . . 38 V CB . 50889 1 183 . 1 . 1 38 38 VAL N N 15 118.416 . . . . . . . . 38 V N . 50889 1 184 . 1 . 1 39 39 GLU H H 1 8.101 . . . . . . . . 39 E H . 50889 1 185 . 1 . 1 39 39 GLU C C 13 175.147 . . . . . . . . 39 E C . 50889 1 186 . 1 . 1 39 39 GLU CA C 13 57.508 . . . . . . . . 39 E CA . 50889 1 187 . 1 . 1 39 39 GLU CB C 13 29.091 . . . . . . . . 39 E CB . 50889 1 188 . 1 . 1 39 39 GLU N N 15 121.634 . . . . . . . . 39 E N . 50889 1 189 . 1 . 1 40 40 ARG H H 1 8.060 . . . . . . . . 40 R H . 50889 1 190 . 1 . 1 40 40 ARG C C 13 174.374 . . . . . . . . 40 R C . 50889 1 191 . 1 . 1 40 40 ARG CA C 13 56.279 . . . . . . . . 40 R CA . 50889 1 192 . 1 . 1 40 40 ARG CB C 13 29.268 . . . . . . . . 40 R CB . 50889 1 193 . 1 . 1 40 40 ARG N N 15 120.122 . . . . . . . . 40 R N . 50889 1 194 . 1 . 1 41 41 ARG H H 1 8.058 . . . . . . . . 41 R H . 50889 1 195 . 1 . 1 41 41 ARG C C 13 174.559 . . . . . . . . 41 R C . 50889 1 196 . 1 . 1 41 41 ARG CA C 13 56.498 . . . . . . . . 41 R CA . 50889 1 197 . 1 . 1 41 41 ARG CB C 13 29.551 . . . . . . . . 41 R CB . 50889 1 198 . 1 . 1 41 41 ARG N N 15 120.507 . . . . . . . . 41 R N . 50889 1 199 . 1 . 1 42 42 GLY H H 1 8.174 . . . . . . . . 42 G H . 50889 1 200 . 1 . 1 42 42 GLY C C 13 171.852 . . . . . . . . 42 G C . 50889 1 201 . 1 . 1 42 42 GLY CA C 13 45.242 . . . . . . . . 42 G CA . 50889 1 202 . 1 . 1 42 42 GLY N N 15 108.993 . . . . . . . . 42 G N . 50889 1 203 . 1 . 1 43 43 LEU H H 1 7.991 . . . . . . . . 43 L H . 50889 1 204 . 1 . 1 43 43 LEU C C 13 175.099 . . . . . . . . 43 L C . 50889 1 205 . 1 . 1 43 43 LEU CA C 13 55.198 . . . . . . . . 43 L CA . 50889 1 206 . 1 . 1 43 43 LEU CB C 13 41.209 . . . . . . . . 43 L CB . 50889 1 207 . 1 . 1 43 43 LEU N N 15 121.783 . . . . . . . . 43 L N . 50889 1 208 . 1 . 1 44 44 GLN H H 1 8.288 . . . . . . . . 44 Q H . 50889 1 209 . 1 . 1 44 44 GLN C C 13 173.923 . . . . . . . . 44 Q C . 50889 1 210 . 1 . 1 44 44 GLN CA C 13 55.844 . . . . . . . . 44 Q CA . 50889 1 211 . 1 . 1 44 44 GLN CB C 13 28.482 . . . . . . . . 44 Q CB . 50889 1 212 . 1 . 1 44 44 GLN N N 15 120.733 . . . . . . . . 44 Q N . 50889 1 213 . 1 . 1 45 45 GLU H H 1 8.337 . . . . . . . . 45 E H . 50889 1 214 . 1 . 1 45 45 GLU C C 13 174.179 . . . . . . . . 45 E C . 50889 1 215 . 1 . 1 45 45 GLU CA C 13 56.884 . . . . . . . . 45 E CA . 50889 1 216 . 1 . 1 45 45 GLU CB C 13 29.026 . . . . . . . . 45 E CB . 50889 1 217 . 1 . 1 45 45 GLU N N 15 121.942 . . . . . . . . 45 E N . 50889 1 218 . 1 . 1 48 48 ARG C C 13 172.829 . . . . . . . . 48 R C . 50889 1 219 . 1 . 1 48 48 ARG CA C 13 61.452 . . . . . . . . 48 R CA . 50889 1 220 . 1 . 1 49 49 GLY H H 1 7.890 . . . . . . . . 49 G H . 50889 1 221 . 1 . 1 49 49 GLY C C 13 168.970 . . . . . . . . 49 G C . 50889 1 222 . 1 . 1 49 49 GLY CA C 13 43.480 . . . . . . . . 49 G CA . 50889 1 223 . 1 . 1 49 49 GLY N N 15 110.232 . . . . . . . . 49 G N . 50889 1 224 . 1 . 1 51 51 THR C C 13 172.494 . . . . . . . . 51 T C . 50889 1 225 . 1 . 1 51 51 THR CA C 13 63.559 . . . . . . . . 51 T CA . 50889 1 226 . 1 . 1 51 51 THR CB C 13 68.625 . . . . . . . . 51 T CB . 50889 1 227 . 1 . 1 52 52 LEU H H 1 8.396 . . . . . . . . 52 L H . 50889 1 228 . 1 . 1 52 52 LEU C C 13 175.071 . . . . . . . . 52 L C . 50889 1 229 . 1 . 1 52 52 LEU CA C 13 55.915 . . . . . . . . 52 L CA . 50889 1 230 . 1 . 1 52 52 LEU CB C 13 40.684 . . . . . . . . 52 L CB . 50889 1 231 . 1 . 1 52 52 LEU N N 15 123.628 . . . . . . . . 52 L N . 50889 1 232 . 1 . 1 53 53 THR H H 1 7.945 . . . . . . . . 53 T H . 50889 1 233 . 1 . 1 53 53 THR C C 13 172.768 . . . . . . . . 53 T C . 50889 1 234 . 1 . 1 53 53 THR CA C 13 63.153 . . . . . . . . 53 T CA . 50889 1 235 . 1 . 1 53 53 THR CB C 13 69.006 . . . . . . . . 53 T CB . 50889 1 236 . 1 . 1 53 53 THR N N 15 115.336 . . . . . . . . 53 T N . 50889 1 237 . 1 . 1 54 54 MET H H 1 8.385 . . . . . . . . 54 M H . 50889 1 238 . 1 . 1 54 54 MET C C 13 174.887 . . . . . . . . 54 M C . 50889 1 239 . 1 . 1 54 54 MET CA C 13 57.276 . . . . . . . . 54 M CA . 50889 1 240 . 1 . 1 54 54 MET CB C 13 31.615 . . . . . . . . 54 M CB . 50889 1 241 . 1 . 1 54 54 MET N N 15 121.462 . . . . . . . . 54 M N . 50889 1 242 . 1 . 1 55 55 VAL H H 1 7.972 . . . . . . . . 55 V H . 50889 1 243 . 1 . 1 55 55 VAL C C 13 174.340 . . . . . . . . 55 V C . 50889 1 244 . 1 . 1 55 55 VAL CA C 13 64.253 . . . . . . . . 55 V CA . 50889 1 245 . 1 . 1 55 55 VAL CB C 13 31.165 . . . . . . . . 55 V CB . 50889 1 246 . 1 . 1 55 55 VAL N N 15 118.716 . . . . . . . . 55 V N . 50889 1 247 . 1 . 1 56 56 SER H H 1 8.063 . . . . . . . . 56 S H . 50889 1 248 . 1 . 1 56 56 SER C C 13 173.308 . . . . . . . . 56 S C . 50889 1 249 . 1 . 1 56 56 SER CA C 13 59.933 . . . . . . . . 56 S CA . 50889 1 250 . 1 . 1 56 56 SER CB C 13 62.736 . . . . . . . . 56 S CB . 50889 1 251 . 1 . 1 56 56 SER N N 15 117.307 . . . . . . . . 56 S N . 50889 1 252 . 1 . 1 57 57 LEU H H 1 8.091 . . . . . . . . 57 L H . 50889 1 253 . 1 . 1 57 57 LEU C C 13 175.905 . . . . . . . . 57 L C . 50889 1 254 . 1 . 1 57 57 LEU CA C 13 56.099 . . . . . . . . 57 L CA . 50889 1 255 . 1 . 1 57 57 LEU CB C 13 41.266 . . . . . . . . 57 L CB . 50889 1 256 . 1 . 1 57 57 LEU N N 15 122.969 . . . . . . . . 57 L N . 50889 1 257 . 1 . 1 58 58 GLY H H 1 8.292 . . . . . . . . 58 G H . 50889 1 258 . 1 . 1 58 58 GLY C C 13 172.139 . . . . . . . . 58 G C . 50889 1 259 . 1 . 1 58 58 GLY CA C 13 46.029 . . . . . . . . 58 G CA . 50889 1 260 . 1 . 1 58 58 GLY N N 15 107.264 . . . . . . . . 58 G N . 50889 1 261 . 1 . 1 59 59 CYS H H 1 8.238 . . . . . . . . 59 C H . 50889 1 262 . 1 . 1 59 59 CYS C C 13 173.137 . . . . . . . . 59 C C . 50889 1 263 . 1 . 1 59 59 CYS CA C 13 60.399 . . . . . . . . 59 C CA . 50889 1 264 . 1 . 1 59 59 CYS CB C 13 26.979 . . . . . . . . 59 C CB . 50889 1 265 . 1 . 1 59 59 CYS N N 15 118.426 . . . . . . . . 59 C N . 50889 1 266 . 1 . 1 60 60 GLY H H 1 8.306 . . . . . . . . 60 G H . 50889 1 267 . 1 . 1 60 60 GLY C C 13 171.763 . . . . . . . . 60 G C . 50889 1 268 . 1 . 1 60 60 GLY CA C 13 45.706 . . . . . . . . 60 G CA . 50889 1 269 . 1 . 1 60 60 GLY N N 15 109.188 . . . . . . . . 60 G N . 50889 1 270 . 1 . 1 61 61 PHE H H 1 7.875 . . . . . . . . 61 F H . 50889 1 271 . 1 . 1 61 61 PHE C C 13 172.993 . . . . . . . . 61 F C . 50889 1 272 . 1 . 1 61 61 PHE CA C 13 58.282 . . . . . . . . 61 F CA . 50889 1 273 . 1 . 1 61 61 PHE CB C 13 39.094 . . . . . . . . 61 F CB . 50889 1 274 . 1 . 1 61 61 PHE N N 15 119.275 . . . . . . . . 61 F N . 50889 1 275 . 1 . 1 62 62 VAL H H 1 7.751 . . . . . . . . 62 V H . 50889 1 276 . 1 . 1 62 62 VAL C C 13 173.823 . . . . . . . . 62 V C . 50889 1 277 . 1 . 1 62 62 VAL CA C 13 63.076 . . . . . . . . 62 V CA . 50889 1 278 . 1 . 1 62 62 VAL CB C 13 31.626 . . . . . . . . 62 V CB . 50889 1 279 . 1 . 1 62 62 VAL N N 15 117.157 . . . . . . . . 62 V N . 50889 1 280 . 1 . 1 63 63 GLY H H 1 8.146 . . . . . . . . 63 G H . 50889 1 281 . 1 . 1 63 63 GLY C C 13 170.651 . . . . . . . . 63 G C . 50889 1 282 . 1 . 1 63 63 GLY CA C 13 46.345 . . . . . . . . 63 G CA . 50889 1 283 . 1 . 1 63 63 GLY N N 15 109.871 . . . . . . . . 63 G N . 50889 1 284 . 1 . 1 64 64 PRO C C 13 175.523 . . . . . . . . 64 P C . 50889 1 285 . 1 . 1 64 64 PRO CA C 13 63.733 . . . . . . . . 64 P CA . 50889 1 286 . 1 . 1 64 64 PRO CB C 13 31.41 . . . . . . . . 64 P CB . 50889 1 287 . 1 . 1 65 65 VAL H H 1 7.701 . . . . . . . . 65 V H . 50889 1 288 . 1 . 1 65 65 VAL C C 13 174.436 . . . . . . . . 65 V C . 50889 1 289 . 1 . 1 65 65 VAL CA C 13 63.891 . . . . . . . . 65 V CA . 50889 1 290 . 1 . 1 65 65 VAL CB C 13 31.371 . . . . . . . . 65 V CB . 50889 1 291 . 1 . 1 65 65 VAL N N 15 118.161 . . . . . . . . 65 V N . 50889 1 292 . 1 . 1 66 66 VAL H H 1 7.932 . . . . . . . . 66 V H . 50889 1 293 . 1 . 1 66 66 VAL C C 13 174.572 . . . . . . . . 66 V C . 50889 1 294 . 1 . 1 66 66 VAL CA C 13 63.611 . . . . . . . . 66 V CA . 50889 1 295 . 1 . 1 66 66 VAL CB C 13 30.878 . . . . . . . . 66 V CB . 50889 1 296 . 1 . 1 66 66 VAL N N 15 119.433 . . . . . . . . 66 V N . 50889 1 297 . 1 . 1 67 67 GLY H H 1 8.323 . . . . . . . . 67 G H . 50889 1 298 . 1 . 1 67 67 GLY C C 13 173.014 . . . . . . . . 67 G C . 50889 1 299 . 1 . 1 67 67 GLY CA C 13 45.882 . . . . . . . . 67 G CA . 50889 1 300 . 1 . 1 67 67 GLY N N 15 109.115 . . . . . . . . 67 G N . 50889 1 301 . 1 . 1 68 68 GLY H H 1 8.021 . . . . . . . . 68 G H . 50889 1 302 . 1 . 1 68 68 GLY C C 13 173.000 . . . . . . . . 68 G C . 50889 1 303 . 1 . 1 68 68 GLY CA C 13 45.687 . . . . . . . . 68 G CA . 50889 1 304 . 1 . 1 68 68 GLY N N 15 109.255 . . . . . . . . 68 G N . 50889 1 305 . 1 . 1 69 69 TRP H H 1 8.189 . . . . . . . . 69 W H . 50889 1 306 . 1 . 1 69 69 TRP C C 13 174.928 . . . . . . . . 69 W C . 50889 1 307 . 1 . 1 69 69 TRP CA C 13 58.892 . . . . . . . . 69 W CA . 50889 1 308 . 1 . 1 69 69 TRP CB C 13 28.366 . . . . . . . . 69 W CB . 50889 1 309 . 1 . 1 69 69 TRP N N 15 122.383 . . . . . . . . 69 W N . 50889 1 310 . 1 . 1 70 70 TYR H H 1 7.903 . . . . . . . . 70 Y H . 50889 1 311 . 1 . 1 70 70 TYR C C 13 174.408 . . . . . . . . 70 Y C . 50889 1 312 . 1 . 1 70 70 TYR CA C 13 60.501 . . . . . . . . 70 Y CA . 50889 1 313 . 1 . 1 70 70 TYR CB C 13 36.809 . . . . . . . . 70 Y CB . 50889 1 314 . 1 . 1 70 70 TYR N N 15 119.243 . . . . . . . . 70 Y N . 50889 1 315 . 1 . 1 71 71 LYS H H 1 7.546 . . . . . . . . 71 K H . 50889 1 316 . 1 . 1 71 71 LYS C C 13 176.131 . . . . . . . . 71 K C . 50889 1 317 . 1 . 1 71 71 LYS CA C 13 57.919 . . . . . . . . 71 K CA . 50889 1 318 . 1 . 1 71 71 LYS CB C 13 31.011 . . . . . . . . 71 K CB . 50889 1 319 . 1 . 1 71 71 LYS N N 15 118.427 . . . . . . . . 71 K N . 50889 1 320 . 1 . 1 72 72 VAL H H 1 7.522 . . . . . . . . 72 V H . 50889 1 321 . 1 . 1 72 72 VAL C C 13 174.559 . . . . . . . . 72 V C . 50889 1 322 . 1 . 1 72 72 VAL CA C 13 64.417 . . . . . . . . 72 V CA . 50889 1 323 . 1 . 1 72 72 VAL CB C 13 30.832 . . . . . . . . 72 V CB . 50889 1 324 . 1 . 1 72 72 VAL N N 15 118.156 . . . . . . . . 72 V N . 50889 1 325 . 1 . 1 73 73 LEU H H 1 7.665 . . . . . . . . 73 L H . 50889 1 326 . 1 . 1 73 73 LEU C C 13 175.509 . . . . . . . . 73 L C . 50889 1 327 . 1 . 1 73 73 LEU CA C 13 56.856 . . . . . . . . 73 L CA . 50889 1 328 . 1 . 1 73 73 LEU CB C 13 40.773 . . . . . . . . 73 L CB . 50889 1 329 . 1 . 1 73 73 LEU N N 15 119.210 . . . . . . . . 73 L N . 50889 1 330 . 1 . 1 74 74 ASP H H 1 7.894 . . . . . . . . 74 D H . 50889 1 331 . 1 . 1 74 74 ASP C C 13 174.600 . . . . . . . . 74 D C . 50889 1 332 . 1 . 1 74 74 ASP CA C 13 56.419 . . . . . . . . 74 D CA . 50889 1 333 . 1 . 1 74 74 ASP CB C 13 40.717 . . . . . . . . 74 D CB . 50889 1 334 . 1 . 1 74 74 ASP N N 15 118.132 . . . . . . . . 74 D N . 50889 1 335 . 1 . 1 75 75 ARG H H 1 7.465 . . . . . . . . 75 R H . 50889 1 336 . 1 . 1 75 75 ARG C C 13 174.176 . . . . . . . . 75 R C . 50889 1 337 . 1 . 1 75 75 ARG CA C 13 56.733 . . . . . . . . 75 R CA . 50889 1 338 . 1 . 1 75 75 ARG CB C 13 28.968 . . . . . . . . 75 R CB . 50889 1 339 . 1 . 1 75 75 ARG N N 15 116.230 . . . . . . . . 75 R N . 50889 1 340 . 1 . 1 76 76 PHE H H 1 7.741 . . . . . . . . 76 F H . 50889 1 341 . 1 . 1 76 76 PHE C C 13 171.934 . . . . . . . . 76 F C . 50889 1 342 . 1 . 1 76 76 PHE CA C 13 58.100 . . . . . . . . 76 F CA . 50889 1 343 . 1 . 1 76 76 PHE CB C 13 40.001 . . . . . . . . 76 F CB . 50889 1 344 . 1 . 1 76 76 PHE N N 15 116.972 . . . . . . . . 76 F N . 50889 1 345 . 1 . 1 77 77 ILE H H 1 7.616 . . . . . . . . 77 I H . 50889 1 346 . 1 . 1 77 77 ILE C C 13 171.062 . . . . . . . . 77 I C . 50889 1 347 . 1 . 1 77 77 ILE CA C 13 58.241 . . . . . . . . 77 I CA . 50889 1 348 . 1 . 1 77 77 ILE CB C 13 37.355 . . . . . . . . 77 I CB . 50889 1 349 . 1 . 1 77 77 ILE N N 15 119.064 . . . . . . . . 77 I N . 50889 1 350 . 1 . 1 78 78 PRO C C 13 174.630 . . . . . . . . 78 P C . 50889 1 351 . 1 . 1 78 78 PRO CA C 13 62.701 . . . . . . . . 78 P CA . 50889 1 352 . 1 . 1 78 78 PRO CB C 13 31.413 . . . . . . . . 78 P CB . 50889 1 353 . 1 . 1 79 79 GLY H H 1 8.519 . . . . . . . . 79 G H . 50889 1 354 . 1 . 1 79 79 GLY C C 13 172.251 . . . . . . . . 79 G C . 50889 1 355 . 1 . 1 79 79 GLY CA C 13 44.905 . . . . . . . . 79 G CA . 50889 1 356 . 1 . 1 79 79 GLY N N 15 108.453 . . . . . . . . 79 G N . 50889 1 357 . 1 . 1 82 82 LYS C C 13 175.441 . . . . . . . . 82 K C . 50889 1 358 . 1 . 1 82 82 LYS CA C 13 57.855 . . . . . . . . 82 K CA . 50889 1 359 . 1 . 1 82 82 LYS CB C 13 31.670 . . . . . . . . 82 K CB . 50889 1 360 . 1 . 1 83 83 VAL H H 1 8.136 . . . . . . . . 83 V H . 50889 1 361 . 1 . 1 83 83 VAL C C 13 174.753 . . . . . . . . 83 V C . 50889 1 362 . 1 . 1 83 83 VAL CA C 13 66.037 . . . . . . . . 83 V CA . 50889 1 363 . 1 . 1 83 83 VAL CB C 13 30.448 . . . . . . . . 83 V CB . 50889 1 364 . 1 . 1 83 83 VAL N N 15 119.542 . . . . . . . . 83 V N . 50889 1 365 . 1 . 1 84 84 ASP C C 13 175.987 . . . . . . . . 84 D C . 50889 1 366 . 1 . 1 84 84 ASP CA C 13 57.178 . . . . . . . . 84 D CA . 50889 1 367 . 1 . 1 84 84 ASP CB C 13 39.910 . . . . . . . . 84 D CB . 50889 1 368 . 1 . 1 85 85 ALA H H 1 7.779 . . . . . . . . 85 A H . 50889 1 369 . 1 . 1 85 85 ALA C C 13 177.731 . . . . . . . . 85 A C . 50889 1 370 . 1 . 1 85 85 ALA CA C 13 54.501 . . . . . . . . 85 A CA . 50889 1 371 . 1 . 1 85 85 ALA CB C 13 17.587 . . . . . . . . 85 A CB . 50889 1 372 . 1 . 1 85 85 ALA N N 15 122.467 . . . . . . . . 85 A N . 50889 1 373 . 1 . 1 86 86 LEU H H 1 7.970 . . . . . . . . 86 L H . 50889 1 374 . 1 . 1 86 86 LEU C C 13 175.789 . . . . . . . . 86 L C . 50889 1 375 . 1 . 1 86 86 LEU CA C 13 57.421 . . . . . . . . 86 L CA . 50889 1 376 . 1 . 1 86 86 LEU CB C 13 40.752 . . . . . . . . 86 L CB . 50889 1 377 . 1 . 1 86 86 LEU N N 15 120.260 . . . . . . . . 86 L N . 50889 1 378 . 1 . 1 87 87 LYS H H 1 8.351 . . . . . . . . 87 K H . 50889 1 379 . 1 . 1 87 87 LYS C C 13 175.639 . . . . . . . . 87 K C . 50889 1 380 . 1 . 1 87 87 LYS CA C 13 60.165 . . . . . . . . 87 K CA . 50889 1 381 . 1 . 1 87 87 LYS CB C 13 31.456 . . . . . . . . 87 K CB . 50889 1 382 . 1 . 1 87 87 LYS N N 15 119.172 . . . . . . . . 87 K N . 50889 1 383 . 1 . 1 88 88 LYS H H 1 7.744 . . . . . . . . 88 K H . 50889 1 384 . 1 . 1 88 88 LYS C C 13 175.803 . . . . . . . . 88 K C . 50889 1 385 . 1 . 1 88 88 LYS CA C 13 58.797 . . . . . . . . 88 K CA . 50889 1 386 . 1 . 1 88 88 LYS CB C 13 31.457 . . . . . . . . 88 K CB . 50889 1 387 . 1 . 1 88 88 LYS N N 15 118.252 . . . . . . . . 88 K N . 50889 1 388 . 1 . 1 89 89 MET H H 1 7.739 . . . . . . . . 89 M H . 50889 1 389 . 1 . 1 89 89 MET C C 13 175.297 . . . . . . . . 89 M C . 50889 1 390 . 1 . 1 89 89 MET CA C 13 58.258 . . . . . . . . 89 M CA . 50889 1 391 . 1 . 1 89 89 MET CB C 13 32.427 . . . . . . . . 89 M CB . 50889 1 392 . 1 . 1 89 89 MET N N 15 117.966 . . . . . . . . 89 M N . 50889 1 393 . 1 . 1 90 90 LEU H H 1 7.921 . . . . . . . . 90 L H . 50889 1 394 . 1 . 1 90 90 LEU C C 13 175.420 . . . . . . . . 90 L C . 50889 1 395 . 1 . 1 90 90 LEU CA C 13 56.736 . . . . . . . . 90 L CA . 50889 1 396 . 1 . 1 90 90 LEU CB C 13 41.279 . . . . . . . . 90 L CB . 50889 1 397 . 1 . 1 90 90 LEU N N 15 117.889 . . . . . . . . 90 L N . 50889 1 398 . 1 . 1 91 91 LEU H H 1 7.903 . . . . . . . . 91 L H . 50889 1 399 . 1 . 1 91 91 LEU C C 13 175.611 . . . . . . . . 91 L C . 50889 1 400 . 1 . 1 91 91 LEU CA C 13 56.154 . . . . . . . . 91 L CA . 50889 1 401 . 1 . 1 91 91 LEU CB C 13 41.132 . . . . . . . . 91 L CB . 50889 1 402 . 1 . 1 91 91 LEU N N 15 118.133 . . . . . . . . 91 L N . 50889 1 403 . 1 . 1 92 92 ASP H H 1 8.073 . . . . . . . . 92 D H . 50889 1 404 . 1 . 1 92 92 ASP C C 13 174.818 . . . . . . . . 92 D C . 50889 1 405 . 1 . 1 92 92 ASP CA C 13 55.281 . . . . . . . . 92 D CA . 50889 1 406 . 1 . 1 92 92 ASP CB C 13 40.627 . . . . . . . . 92 D CB . 50889 1 407 . 1 . 1 92 92 ASP N N 15 120.246 . . . . . . . . 92 D N . 50889 1 408 . 1 . 1 93 93 GLN H H 1 8.075 . . . . . . . . 93 Q H . 50889 1 409 . 1 . 1 93 93 GLN C C 13 174.183 . . . . . . . . 93 Q C . 50889 1 410 . 1 . 1 93 93 GLN CA C 13 55.829 . . . . . . . . 93 Q CA . 50889 1 411 . 1 . 1 93 93 GLN CB C 13 27.941 . . . . . . . . 93 Q CB . 50889 1 412 . 1 . 1 93 93 GLN N N 15 119.078 . . . . . . . . 93 Q N . 50889 1 413 . 1 . 1 94 94 GLY H H 1 8.160 . . . . . . . . 94 G H . 50889 1 414 . 1 . 1 94 94 GLY C C 13 171.865 . . . . . . . . 94 G C . 50889 1 415 . 1 . 1 94 94 GLY CA C 13 45.337 . . . . . . . . 94 G CA . 50889 1 416 . 1 . 1 94 94 GLY N N 15 108.195 . . . . . . . . 94 G N . 50889 1 417 . 1 . 1 95 95 GLY H H 1 8.102 . . . . . . . . 95 G H . 50889 1 418 . 1 . 1 95 95 GLY C C 13 171.264 . . . . . . . . 95 G C . 50889 1 419 . 1 . 1 95 95 GLY CA C 13 44.793 . . . . . . . . 95 G CA . 50889 1 420 . 1 . 1 95 95 GLY N N 15 108.385 . . . . . . . . 95 G N . 50889 1 421 . 1 . 1 96 96 PHE H H 1 8.452 . . . . . . . . 96 F H . 50889 1 422 . 1 . 1 96 96 PHE C C 13 173.185 . . . . . . . . 96 F C . 50889 1 423 . 1 . 1 96 96 PHE CA C 13 58.752 . . . . . . . . 96 F CA . 50889 1 424 . 1 . 1 96 96 PHE CB C 13 39.122 . . . . . . . . 96 F CB . 50889 1 425 . 1 . 1 96 96 PHE N N 15 120.304 . . . . . . . . 96 F N . 50889 1 426 . 1 . 1 97 97 ALA H H 1 8.573 . . . . . . . . 97 A H . 50889 1 427 . 1 . 1 97 97 ALA C C 13 173.126 . . . . . . . . 97 A C . 50889 1 428 . 1 . 1 97 97 ALA CA C 13 53.521 . . . . . . . . 97 A CA . 50889 1 429 . 1 . 1 97 97 ALA CB C 13 16.558 . . . . . . . . 97 A CB . 50889 1 430 . 1 . 1 97 97 ALA N N 15 124.020 . . . . . . . . 97 A N . 50889 1 431 . 1 . 1 98 98 PRO C C 13 175.734 . . . . . . . . 98 P C . 50889 1 432 . 1 . 1 98 98 PRO CA C 13 64.658 . . . . . . . . 98 P CA . 50889 1 433 . 1 . 1 98 98 PRO CB C 13 30.487 . . . . . . . . 98 P CB . 50889 1 434 . 1 . 1 99 99 CYS H H 1 7.887 . . . . . . . . 99 C H . 50889 1 435 . 1 . 1 99 99 CYS C C 13 173.472 . . . . . . . . 99 C C . 50889 1 436 . 1 . 1 99 99 CYS CA C 13 60.240 . . . . . . . . 99 C CA . 50889 1 437 . 1 . 1 99 99 CYS CB C 13 26.636 . . . . . . . . 99 C CB . 50889 1 438 . 1 . 1 99 99 CYS N N 15 117.323 . . . . . . . . 99 C N . 50889 1 439 . 1 . 1 100 100 PHE H H 1 8.302 . . . . . . . . 100 F H . 50889 1 440 . 1 . 1 100 100 PHE C C 13 174.272 . . . . . . . . 100 F C . 50889 1 441 . 1 . 1 100 100 PHE CA C 13 60.017 . . . . . . . . 100 F CA . 50889 1 442 . 1 . 1 100 100 PHE CB C 13 38.524 . . . . . . . . 100 F CB . 50889 1 443 . 1 . 1 100 100 PHE N N 15 121.188 . . . . . . . . 100 F N . 50889 1 444 . 1 . 1 101 101 LEU H H 1 8.321 . . . . . . . . 101 L H . 50889 1 445 . 1 . 1 101 101 LEU C C 13 175.974 . . . . . . . . 101 L C . 50889 1 446 . 1 . 1 101 101 LEU CA C 13 57.082 . . . . . . . . 101 L CA . 50889 1 447 . 1 . 1 101 101 LEU CB C 13 40.602 . . . . . . . . 101 L CB . 50889 1 448 . 1 . 1 101 101 LEU N N 15 119.445 . . . . . . . . 101 L N . 50889 1 449 . 1 . 1 102 102 GLY H H 1 8.084 . . . . . . . . 102 G H . 50889 1 450 . 1 . 1 102 102 GLY C C 13 172.658 . . . . . . . . 102 G C . 50889 1 451 . 1 . 1 102 102 GLY CA C 13 46.108 . . . . . . . . 102 G CA . 50889 1 452 . 1 . 1 102 102 GLY N N 15 105.663 . . . . . . . . 102 G N . 50889 1 453 . 1 . 1 103 103 CYS H H 1 7.623 . . . . . . . . 103 C H . 50889 1 454 . 1 . 1 103 103 CYS C C 13 172.043 . . . . . . . . 103 C C . 50889 1 455 . 1 . 1 103 103 CYS CA C 13 59.963 . . . . . . . . 103 C CA . 50889 1 456 . 1 . 1 103 103 CYS CB C 13 27.224 . . . . . . . . 103 C CB . 50889 1 457 . 1 . 1 103 103 CYS N N 15 117.118 . . . . . . . . 103 C N . 50889 1 458 . 1 . 1 104 104 PHE H H 1 7.918 . . . . . . . . 104 F H . 50889 1 459 . 1 . 1 104 104 PHE C C 13 173.711 . . . . . . . . 104 F C . 50889 1 460 . 1 . 1 104 104 PHE CA C 13 59.335 . . . . . . . . 104 F CA . 50889 1 461 . 1 . 1 104 104 PHE CB C 13 39.433 . . . . . . . . 104 F CB . 50889 1 462 . 1 . 1 104 104 PHE N N 15 117.868 . . . . . . . . 104 F N . 50889 1 463 . 1 . 1 105 105 LEU H H 1 8.068 . . . . . . . . 105 L H . 50889 1 464 . 1 . 1 105 105 LEU CA C 13 56.366 . . . . . . . . 105 L CA . 50889 1 465 . 1 . 1 105 105 LEU CB C 13 40.680 . . . . . . . . 105 L CB . 50889 1 466 . 1 . 1 105 105 LEU N N 15 120.261 . . . . . . . . 105 L N . 50889 1 467 . 1 . 1 106 106 PRO C C 13 175.755 . . . . . . . . 106 P C . 50889 1 468 . 1 . 1 106 106 PRO CA C 13 64.966 . . . . . . . . 106 P CA . 50889 1 469 . 1 . 1 106 106 PRO CB C 13 30.440 . . . . . . . . 106 P CB . 50889 1 470 . 1 . 1 107 107 LEU H H 1 7.366 . . . . . . . . 107 L H . 50889 1 471 . 1 . 1 107 107 LEU C C 13 175.283 . . . . . . . . 107 L C . 50889 1 472 . 1 . 1 107 107 LEU CA C 13 56.844 . . . . . . . . 107 L CA . 50889 1 473 . 1 . 1 107 107 LEU CB C 13 40.787 . . . . . . . . 107 L CB . 50889 1 474 . 1 . 1 107 107 LEU N N 15 117.454 . . . . . . . . 107 L N . 50889 1 475 . 1 . 1 108 108 VAL H H 1 7.718 . . . . . . . . 108 V H . 50889 1 476 . 1 . 1 108 108 VAL C C 13 175.283 . . . . . . . . 108 V C . 50889 1 477 . 1 . 1 108 108 VAL CA C 13 64.843 . . . . . . . . 108 V CA . 50889 1 478 . 1 . 1 108 108 VAL CB C 13 30.615 . . . . . . . . 108 V CB . 50889 1 479 . 1 . 1 108 108 VAL N N 15 116.961 . . . . . . . . 108 V N . 50889 1 480 . 1 . 1 109 109 GLY H H 1 8.121 . . . . . . . . 109 G H . 50889 1 481 . 1 . 1 109 109 GLY C C 13 172.945 . . . . . . . . 109 G C . 50889 1 482 . 1 . 1 109 109 GLY CA C 13 46.206 . . . . . . . . 109 G CA . 50889 1 483 . 1 . 1 109 109 GLY N N 15 107.826 . . . . . . . . 109 G N . 50889 1 484 . 1 . 1 110 110 ALA H H 1 7.781 . . . . . . . . 110 A H . 50889 1 485 . 1 . 1 110 110 ALA C C 13 176.220 . . . . . . . . 110 A C . 50889 1 486 . 1 . 1 110 110 ALA CA C 13 53.240 . . . . . . . . 110 A CA . 50889 1 487 . 1 . 1 110 110 ALA CB C 13 17.886 . . . . . . . . 110 A CB . 50889 1 488 . 1 . 1 110 110 ALA N N 15 123.861 . . . . . . . . 110 A N . 50889 1 489 . 1 . 1 111 111 LEU H H 1 7.839 . . . . . . . . 111 L H . 50889 1 490 . 1 . 1 111 111 LEU C C 13 175.037 . . . . . . . . 111 L C . 50889 1 491 . 1 . 1 111 111 LEU CA C 13 55.819 . . . . . . . . 111 L CA . 50889 1 492 . 1 . 1 111 111 LEU CB C 13 40.747 . . . . . . . . 111 L CB . 50889 1 493 . 1 . 1 111 111 LEU N N 15 118.024 . . . . . . . . 111 L N . 50889 1 494 . 1 . 1 112 112 ASN H H 1 8.012 . . . . . . . . 112 N H . 50889 1 495 . 1 . 1 112 112 ASN C C 13 173.814 . . . . . . . . 112 N C . 50889 1 496 . 1 . 1 112 112 ASN CA C 13 54.228 . . . . . . . . 112 N CA . 50889 1 497 . 1 . 1 112 112 ASN CB C 13 38.434 . . . . . . . . 112 N CB . 50889 1 498 . 1 . 1 112 112 ASN N N 15 117.462 . . . . . . . . 112 N N . 50889 1 499 . 1 . 1 113 113 GLY H H 1 8.216 . . . . . . . . 113 G H . 50889 1 500 . 1 . 1 113 113 GLY C C 13 172.146 . . . . . . . . 113 G C . 50889 1 501 . 1 . 1 113 113 GLY CA C 13 45.480 . . . . . . . . 113 G CA . 50889 1 502 . 1 . 1 113 113 GLY N N 15 108.782 . . . . . . . . 113 G N . 50889 1 503 . 1 . 1 114 114 LEU H H 1 7.843 . . . . . . . . 114 L H . 50889 1 504 . 1 . 1 114 114 LEU C C 13 174.531 . . . . . . . . 114 L C . 50889 1 505 . 1 . 1 114 114 LEU CA C 13 55.342 . . . . . . . . 114 L CA . 50889 1 506 . 1 . 1 114 114 LEU CB C 13 41.415 . . . . . . . . 114 L CB . 50889 1 507 . 1 . 1 114 114 LEU N N 15 121.607 . . . . . . . . 114 L N . 50889 1 508 . 1 . 1 115 115 SER H H 1 8.173 . . . . . . . . 115 S H . 50889 1 509 . 1 . 1 115 115 SER C C 13 172.200 . . . . . . . . 115 S C . 50889 1 510 . 1 . 1 115 115 SER CA C 13 57.961 . . . . . . . . 115 S CA . 50889 1 511 . 1 . 1 115 115 SER CB C 13 63.373 . . . . . . . . 115 S CB . 50889 1 512 . 1 . 1 115 115 SER N N 15 114.765 . . . . . . . . 115 S N . 50889 1 513 . 1 . 1 116 116 ALA H H 1 8.287 . . . . . . . . 116 A H . 50889 1 514 . 1 . 1 116 116 ALA C C 13 175.639 . . . . . . . . 116 A C . 50889 1 515 . 1 . 1 116 116 ALA CA C 13 53.163 . . . . . . . . 116 A CA . 50889 1 516 . 1 . 1 116 116 ALA CB C 13 18.204 . . . . . . . . 116 A CB . 50889 1 517 . 1 . 1 116 116 ALA N N 15 126.122 . . . . . . . . 116 A N . 50889 1 518 . 1 . 1 117 117 GLN H H 1 8.320 . . . . . . . . 117 Q H . 50889 1 519 . 1 . 1 117 117 GLN C C 13 174.251 . . . . . . . . 117 Q C . 50889 1 520 . 1 . 1 117 117 GLN CA C 13 57.014 . . . . . . . . 117 Q CA . 50889 1 521 . 1 . 1 117 117 GLN CB C 13 29.008 . . . . . . . . 117 Q CB . 50889 1 522 . 1 . 1 117 117 GLN N N 15 118.721 . . . . . . . . 117 Q N . 50889 1 523 . 1 . 1 118 118 ASP H H 1 8.211 . . . . . . . . 118 D H . 50889 1 524 . 1 . 1 118 118 ASP C C 13 174.702 . . . . . . . . 118 D C . 50889 1 525 . 1 . 1 118 118 ASP CA C 13 55.103 . . . . . . . . 118 D CA . 50889 1 526 . 1 . 1 118 118 ASP CB C 13 40.308 . . . . . . . . 118 D CB . 50889 1 527 . 1 . 1 118 118 ASP N N 15 120.848 . . . . . . . . 118 D N . 50889 1 528 . 1 . 1 119 119 ASN H H 1 8.229 . . . . . . . . 119 N H . 50889 1 529 . 1 . 1 119 119 ASN C C 13 173.930 . . . . . . . . 119 N C . 50889 1 530 . 1 . 1 119 119 ASN CA C 13 54.972 . . . . . . . . 119 N CA . 50889 1 531 . 1 . 1 119 119 ASN CB C 13 38.267 . . . . . . . . 119 N CB . 50889 1 532 . 1 . 1 119 119 ASN N N 15 119.035 . . . . . . . . 119 N N . 50889 1 533 . 1 . 1 120 120 TRP H H 1 8.326 . . . . . . . . 120 W H . 50889 1 534 . 1 . 1 120 120 TRP C C 13 174.702 . . . . . . . . 120 W C . 50889 1 535 . 1 . 1 120 120 TRP CA C 13 58.885 . . . . . . . . 120 W CA . 50889 1 536 . 1 . 1 120 120 TRP CB C 13 28.639 . . . . . . . . 120 W CB . 50889 1 537 . 1 . 1 120 120 TRP N N 15 121.893 . . . . . . . . 120 W N . 50889 1 538 . 1 . 1 121 121 ALA H H 1 7.978 . . . . . . . . 121 A H . 50889 1 539 . 1 . 1 121 121 ALA C C 13 177.061 . . . . . . . . 121 A C . 50889 1 540 . 1 . 1 121 121 ALA CA C 13 53.962 . . . . . . . . 121 A CA . 50889 1 541 . 1 . 1 121 121 ALA CB C 13 17.431 . . . . . . . . 121 A CB . 50889 1 542 . 1 . 1 121 121 ALA N N 15 121.647 . . . . . . . . 121 A N . 50889 1 543 . 1 . 1 122 122 LYS H H 1 7.689 . . . . . . . . 122 K H . 50889 1 544 . 1 . 1 122 122 LYS C C 13 175.044 . . . . . . . . 122 K C . 50889 1 545 . 1 . 1 122 122 LYS CA C 13 57.936 . . . . . . . . 122 K CA . 50889 1 546 . 1 . 1 122 122 LYS CB C 13 31.599 . . . . . . . . 122 K CB . 50889 1 547 . 1 . 1 122 122 LYS N N 15 118.483 . . . . . . . . 122 K N . 50889 1 548 . 1 . 1 123 123 LEU H H 1 7.767 . . . . . . . . 123 L H . 50889 1 549 . 1 . 1 123 123 LEU C C 13 175.037 . . . . . . . . 123 L C . 50889 1 550 . 1 . 1 123 123 LEU CA C 13 56.570 . . . . . . . . 123 L CA . 50889 1 551 . 1 . 1 123 123 LEU CB C 13 40.969 . . . . . . . . 123 L CB . 50889 1 552 . 1 . 1 123 123 LEU N N 15 120.627 . . . . . . . . 123 L N . 50889 1 553 . 1 . 1 124 124 GLN H H 1 7.747 . . . . . . . . 124 Q H . 50889 1 554 . 1 . 1 124 124 GLN C C 13 173.912 . . . . . . . . 124 Q C . 50889 1 555 . 1 . 1 124 124 GLN CA C 13 56.775 . . . . . . . . 124 Q CA . 50889 1 556 . 1 . 1 124 124 GLN CB C 13 28.540 . . . . . . . . 124 Q CB . 50889 1 557 . 1 . 1 124 124 GLN N N 15 117.014 . . . . . . . . 124 Q N . 50889 1 558 . 1 . 1 125 125 ARG H H 1 7.671 . . . . . . . . 125 R H . 50889 1 559 . 1 . 1 125 125 ARG C C 13 174.097 . . . . . . . . 125 R C . 50889 1 560 . 1 . 1 125 125 ARG CA C 13 56.856 . . . . . . . . 125 R CA . 50889 1 561 . 1 . 1 125 125 ARG CB C 13 29.974 . . . . . . . . 125 R CB . 50889 1 562 . 1 . 1 125 125 ARG N N 15 119.191 . . . . . . . . 125 R N . 50889 1 563 . 1 . 1 126 126 ASP H H 1 8.027 . . . . . . . . 126 D H . 50889 1 564 . 1 . 1 126 126 ASP CA C 13 54.773 . . . . . . . . 126 D CA . 50889 1 565 . 1 . 1 126 126 ASP CB C 13 40.895 . . . . . . . . 126 D CB . 50889 1 566 . 1 . 1 126 126 ASP N N 15 119.417 . . . . . . . . 126 D N . 50889 1 567 . 1 . 1 127 127 TYR H H 1 7.952 . . . . . . . . 127 Y H . 50889 1 568 . 1 . 1 127 127 TYR CA C 13 56.248 . . . . . . . . 127 Y CA . 50889 1 569 . 1 . 1 127 127 TYR CB C 13 37.390 . . . . . . . . 127 Y CB . 50889 1 570 . 1 . 1 127 127 TYR N N 15 120.075 . . . . . . . . 127 Y N . 50889 1 571 . 1 . 1 128 128 PRO C C 13 174.719 . . . . . . . . 128 P C . 50889 1 572 . 1 . 1 128 128 PRO CA C 13 63.852 . . . . . . . . 128 P CA . 50889 1 573 . 1 . 1 128 128 PRO CB C 13 30.682 . . . . . . . . 128 P CB . 50889 1 574 . 1 . 1 129 129 ASP H H 1 8.236 . . . . . . . . 129 D H . 50889 1 575 . 1 . 1 129 129 ASP C C 13 174.350 . . . . . . . . 129 D C . 50889 1 576 . 1 . 1 129 129 ASP CA C 13 55.081 . . . . . . . . 129 D CA . 50889 1 577 . 1 . 1 129 129 ASP CB C 13 40.426 . . . . . . . . 129 D CB . 50889 1 578 . 1 . 1 129 129 ASP N N 15 119.385 . . . . . . . . 129 D N . 50889 1 579 . 1 . 1 130 130 ALA H H 1 8.013 . . . . . . . . 130 A H . 50889 1 580 . 1 . 1 130 130 ALA C C 13 175.567 . . . . . . . . 130 A C . 50889 1 581 . 1 . 1 130 130 ALA CA C 13 53.183 . . . . . . . . 130 A CA . 50889 1 582 . 1 . 1 130 130 ALA CB C 13 18.241 . . . . . . . . 130 A CB . 50889 1 583 . 1 . 1 130 130 ALA N N 15 122.849 . . . . . . . . 130 A N . 50889 1 584 . 1 . 1 131 131 LEU H H 1 8.029 . . . . . . . . 131 L H . 50889 1 585 . 1 . 1 131 131 LEU C C 13 175.116 . . . . . . . . 131 L C . 50889 1 586 . 1 . 1 131 131 LEU CA C 13 56.221 . . . . . . . . 131 L CA . 50889 1 587 . 1 . 1 131 131 LEU CB C 13 40.907 . . . . . . . . 131 L CB . 50889 1 588 . 1 . 1 131 131 LEU N N 15 119.097 . . . . . . . . 131 L N . 50889 1 589 . 1 . 1 132 132 ILE H H 1 7.865 . . . . . . . . 132 I H . 50889 1 590 . 1 . 1 132 132 ILE C C 13 174.344 . . . . . . . . 132 I C . 50889 1 591 . 1 . 1 132 132 ILE CA C 13 62.264 . . . . . . . . 132 I CA . 50889 1 592 . 1 . 1 132 132 ILE CB C 13 37.043 . . . . . . . . 132 I CB . 50889 1 593 . 1 . 1 132 132 ILE N N 15 117.874 . . . . . . . . 132 I N . 50889 1 594 . 1 . 1 133 133 THR H H 1 7.939 . . . . . . . . 133 T H . 50889 1 595 . 1 . 1 133 133 THR C C 13 172.477 . . . . . . . . 133 T C . 50889 1 596 . 1 . 1 133 133 THR CA C 13 63.404 . . . . . . . . 133 T CA . 50889 1 597 . 1 . 1 133 133 THR CB C 13 68.633 . . . . . . . . 133 T CB . 50889 1 598 . 1 . 1 133 133 THR N N 15 114.313 . . . . . . . . 133 T N . 50889 1 599 . 1 . 1 134 134 ASN H H 1 7.975 . . . . . . . . 134 N H . 50889 1 600 . 1 . 1 134 134 ASN C C 13 172.887 . . . . . . . . 134 N C . 50889 1 601 . 1 . 1 134 134 ASN CA C 13 54.436 . . . . . . . . 134 N CA . 50889 1 602 . 1 . 1 134 134 ASN CB C 13 38.573 . . . . . . . . 134 N CB . 50889 1 603 . 1 . 1 134 134 ASN N N 15 119.532 . . . . . . . . 134 N N . 50889 1 604 . 1 . 1 135 135 TYR H H 1 7.950 . . . . . . . . 135 Y H . 50889 1 605 . 1 . 1 135 135 TYR C C 13 172.863 . . . . . . . . 135 Y C . 50889 1 606 . 1 . 1 135 135 TYR CA C 13 59.231 . . . . . . . . 135 Y CA . 50889 1 607 . 1 . 1 135 135 TYR CB C 13 38.402 . . . . . . . . 135 Y CB . 50889 1 608 . 1 . 1 135 135 TYR N N 15 120.023 . . . . . . . . 135 Y N . 50889 1 609 . 1 . 1 136 136 TYR H H 1 7.673 . . . . . . . . 136 Y H . 50889 1 610 . 1 . 1 136 136 TYR C C 13 172.997 . . . . . . . . 136 Y C . 50889 1 611 . 1 . 1 136 136 TYR CA C 13 58.740 . . . . . . . . 136 Y CA . 50889 1 612 . 1 . 1 136 136 TYR CB C 13 37.712 . . . . . . . . 136 Y CB . 50889 1 613 . 1 . 1 136 136 TYR N N 15 116.056 . . . . . . . . 136 Y N . 50889 1 614 . 1 . 1 137 137 LEU H H 1 7.629 . . . . . . . . 137 L H . 50889 1 615 . 1 . 1 137 137 LEU CA C 13 58.414 . . . . . . . . 137 L CA . 50889 1 616 . 1 . 1 137 137 LEU CB C 13 37.279 . . . . . . . . 137 L CB . 50889 1 617 . 1 . 1 137 137 LEU N N 15 119.041 . . . . . . . . 137 L N . 50889 1 618 . 1 . 1 139 139 PRO C C 13 176.620 . . . . . . . . 139 P C . 50889 1 619 . 1 . 1 139 139 PRO CA C 13 59.013 . . . . . . . . 139 P CA . 50889 1 620 . 1 . 1 139 139 PRO CB C 13 28.991 . . . . . . . . 139 P CB . 50889 1 621 . 1 . 1 140 140 ALA H H 1 7.984 . . . . . . . . 140 A H . 50889 1 622 . 1 . 1 140 140 ALA C C 13 176.230 . . . . . . . . 140 A C . 50889 1 623 . 1 . 1 140 140 ALA CA C 13 54.975 . . . . . . . . 140 A CA . 50889 1 624 . 1 . 1 140 140 ALA CB C 13 17.178 . . . . . . . . 140 A CB . 50889 1 625 . 1 . 1 140 140 ALA N N 15 123.050 . . . . . . . . 140 A N . 50889 1 626 . 1 . 1 143 143 LEU C C 13 175.649 . . . . . . . . 143 L C . 50889 1 627 . 1 . 1 143 143 LEU CA C 13 57.156 . . . . . . . . 143 L CA . 50889 1 628 . 1 . 1 143 143 LEU CB C 13 40.946 . . . . . . . . 143 L CB . 50889 1 629 . 1 . 1 144 144 ALA H H 1 8.188 . . . . . . . . 144 A H . 50889 1 630 . 1 . 1 144 144 ALA C C 13 175.901 . . . . . . . . 144 A C . 50889 1 631 . 1 . 1 144 144 ALA CA C 13 54.195 . . . . . . . . 144 A CA . 50889 1 632 . 1 . 1 144 144 ALA CB C 13 17.353 . . . . . . . . 144 A CB . 50889 1 633 . 1 . 1 144 144 ALA N N 15 121.015 . . . . . . . . 144 A N . 50889 1 634 . 1 . 1 148 148 LEU C C 13 173.913 . . . . . . . . 148 L C . 50889 1 635 . 1 . 1 148 148 LEU CA C 13 56.292 . . . . . . . . 148 L CA . 50889 1 636 . 1 . 1 148 148 LEU CB C 13 38.873 . . . . . . . . 148 L CB . 50889 1 637 . 1 . 1 149 149 VAL H H 1 7.830 . . . . . . . . 149 V H . 50889 1 638 . 1 . 1 149 149 VAL C C 13 173.400 . . . . . . . . 149 V C . 50889 1 639 . 1 . 1 149 149 VAL CA C 13 62.217 . . . . . . . . 149 V CA . 50889 1 640 . 1 . 1 149 149 VAL CB C 13 31.754 . . . . . . . . 149 V CB . 50889 1 641 . 1 . 1 149 149 VAL N N 15 119.436 . . . . . . . . 149 V N . 50889 1 642 . 1 . 1 152 152 HIS C C 13 174.952 . . . . . . . . 152 H C . 50889 1 643 . 1 . 1 152 152 HIS CA C 13 58.460 . . . . . . . . 152 H CA . 50889 1 644 . 1 . 1 153 153 TYR H H 1 7.256 . . . . . . . . 153 Y H . 50889 1 645 . 1 . 1 153 153 TYR C C 13 174.227 . . . . . . . . 153 Y C . 50889 1 646 . 1 . 1 153 153 TYR CA C 13 59.245 . . . . . . . . 153 Y CA . 50889 1 647 . 1 . 1 153 153 TYR CB C 13 37.612 . . . . . . . . 153 Y CB . 50889 1 648 . 1 . 1 153 153 TYR N N 15 118.920 . . . . . . . . 153 Y N . 50889 1 649 . 1 . 1 154 154 ARG H H 1 7.674 . . . . . . . . 154 R H . 50889 1 650 . 1 . 1 154 154 ARG C C 13 175.280 . . . . . . . . 154 R C . 50889 1 651 . 1 . 1 154 154 ARG CA C 13 59.968 . . . . . . . . 154 R CA . 50889 1 652 . 1 . 1 154 154 ARG CB C 13 29.047 . . . . . . . . 154 R CB . 50889 1 653 . 1 . 1 154 154 ARG N N 15 119.973 . . . . . . . . 154 R N . 50889 1 654 . 1 . 1 155 155 LEU H H 1 8.280 . . . . . . . . 155 L H . 50889 1 655 . 1 . 1 155 155 LEU C C 13 176.346 . . . . . . . . 155 L C . 50889 1 656 . 1 . 1 155 155 LEU CA C 13 57.147 . . . . . . . . 155 L CA . 50889 1 657 . 1 . 1 155 155 LEU CB C 13 40.366 . . . . . . . . 155 L CB . 50889 1 658 . 1 . 1 155 155 LEU N N 15 117.939 . . . . . . . . 155 L N . 50889 1 659 . 1 . 1 156 156 ALA H H 1 7.645 . . . . . . . . 156 A H . 50889 1 660 . 1 . 1 156 156 ALA C C 13 177.549 . . . . . . . . 156 A C . 50889 1 661 . 1 . 1 156 156 ALA CA C 13 54.547 . . . . . . . . 156 A CA . 50889 1 662 . 1 . 1 156 156 ALA CB C 13 17.570 . . . . . . . . 156 A CB . 50889 1 663 . 1 . 1 156 156 ALA N N 15 121.892 . . . . . . . . 156 A N . 50889 1 664 . 1 . 1 157 157 VAL H H 1 8.035 . . . . . . . . 157 V H . 50889 1 665 . 1 . 1 157 157 VAL C C 13 174.959 . . . . . . . . 157 V C . 50889 1 666 . 1 . 1 157 157 VAL CA C 13 66.718 . . . . . . . . 157 V CA . 50889 1 667 . 1 . 1 157 157 VAL CB C 13 30.701 . . . . . . . . 157 V CB . 50889 1 668 . 1 . 1 157 157 VAL N N 15 118.233 . . . . . . . . 157 V N . 50889 1 669 . 1 . 1 158 158 VAL H H 1 7.892 . . . . . . . . 158 V H . 50889 1 670 . 1 . 1 158 158 VAL C C 13 174.048 . . . . . . . . 158 V C . 50889 1 671 . 1 . 1 158 158 VAL CA C 13 66.727 . . . . . . . . 158 V CA . 50889 1 672 . 1 . 1 158 158 VAL CB C 13 30.468 . . . . . . . . 158 V CB . 50889 1 673 . 1 . 1 158 158 VAL N N 15 119.221 . . . . . . . . 158 V N . 50889 1 674 . 1 . 1 159 159 GLN H H 1 8.117 . . . . . . . . 159 Q H . 50889 1 675 . 1 . 1 159 159 GLN C C 13 176.006 . . . . . . . . 159 Q C . 50889 1 676 . 1 . 1 159 159 GLN CA C 13 58.572 . . . . . . . . 159 Q CA . 50889 1 677 . 1 . 1 159 159 GLN CB C 13 27.658 . . . . . . . . 159 Q CB . 50889 1 678 . 1 . 1 159 159 GLN N N 15 118.655 . . . . . . . . 159 Q N . 50889 1 679 . 1 . 1 160 160 CYS H H 1 8.083 . . . . . . . . 160 C H . 50889 1 680 . 1 . 1 160 160 CYS C C 13 174.104 . . . . . . . . 160 C C . 50889 1 681 . 1 . 1 160 160 CYS CA C 13 63.221 . . . . . . . . 160 C CA . 50889 1 682 . 1 . 1 160 160 CYS CB C 13 26.520 . . . . . . . . 160 C CB . 50889 1 683 . 1 . 1 160 160 CYS N N 15 118.143 . . . . . . . . 160 C N . 50889 1 684 . 1 . 1 161 161 VAL H H 1 8.401 . . . . . . . . 161 V H . 50889 1 685 . 1 . 1 161 161 VAL C C 13 174.569 . . . . . . . . 161 V C . 50889 1 686 . 1 . 1 161 161 VAL CA C 13 66.525 . . . . . . . . 161 V CA . 50889 1 687 . 1 . 1 161 161 VAL CB C 13 30.013 . . . . . . . . 161 V CB . 50889 1 688 . 1 . 1 161 161 VAL N N 15 119.125 . . . . . . . . 161 V N . 50889 1 689 . 1 . 1 162 162 ALA H H 1 8.243 . . . . . . . . 162 A H . 50889 1 690 . 1 . 1 162 162 ALA C C 13 177.514 . . . . . . . . 162 A C . 50889 1 691 . 1 . 1 162 162 ALA CA C 13 55.450 . . . . . . . . 162 A CA . 50889 1 692 . 1 . 1 162 162 ALA CB C 13 17.322 . . . . . . . . 162 A CB . 50889 1 693 . 1 . 1 162 162 ALA N N 15 122.164 . . . . . . . . 162 A N . 50889 1 694 . 1 . 1 163 163 VAL H H 1 7.824 . . . . . . . . 163 V H . 50889 1 695 . 1 . 1 163 163 VAL C C 13 177.022 . . . . . . . . 163 V C . 50889 1 696 . 1 . 1 163 163 VAL CA C 13 65.878 . . . . . . . . 163 V CA . 50889 1 697 . 1 . 1 163 163 VAL CB C 13 30.864 . . . . . . . . 163 V CB . 50889 1 698 . 1 . 1 163 163 VAL N N 15 118.600 . . . . . . . . 163 V N . 50889 1 699 . 1 . 1 164 164 ILE H H 1 8.170 . . . . . . . . 164 I H . 50889 1 700 . 1 . 1 164 164 ILE C C 13 174.782 . . . . . . . . 164 I C . 50889 1 701 . 1 . 1 164 164 ILE CA C 13 65.355 . . . . . . . . 164 I CA . 50889 1 702 . 1 . 1 164 164 ILE CB C 13 36.852 . . . . . . . . 164 I CB . 50889 1 703 . 1 . 1 164 164 ILE N N 15 123.186 . . . . . . . . 164 I N . 50889 1 704 . 1 . 1 165 165 TRP H H 1 8.981 . . . . . . . . 165 W H . 50889 1 705 . 1 . 1 165 165 TRP HE1 H 1 10.463 . . . . . . . . 165 W HE1 . 50889 1 706 . 1 . 1 165 165 TRP C C 13 175.015 . . . . . . . . 165 W C . 50889 1 707 . 1 . 1 165 165 TRP CA C 13 59.763 . . . . . . . . 165 W CA . 50889 1 708 . 1 . 1 165 165 TRP CB C 13 29.535 . . . . . . . . 165 W CB . 50889 1 709 . 1 . 1 165 165 TRP N N 15 121.974 . . . . . . . . 165 W N . 50889 1 710 . 1 . 1 165 165 TRP NE1 N 15 130.344 . . . . . . . . 165 W NE1 . 50889 1 711 . 1 . 1 166 166 ASN H H 1 8.547 . . . . . . . . 166 N H . 50889 1 712 . 1 . 1 166 166 ASN C C 13 176.196 . . . . . . . . 166 N C . 50889 1 713 . 1 . 1 166 166 ASN CA C 13 56.435 . . . . . . . . 166 N CA . 50889 1 714 . 1 . 1 166 166 ASN CB C 13 38.071 . . . . . . . . 166 N CB . 50889 1 715 . 1 . 1 166 166 ASN N N 15 115.751 . . . . . . . . 166 N N . 50889 1 716 . 1 . 1 167 167 SER H H 1 8.307 . . . . . . . . 167 S H . 50889 1 717 . 1 . 1 167 167 SER C C 13 173.198 . . . . . . . . 167 S C . 50889 1 718 . 1 . 1 167 167 SER CA C 13 62.410 . . . . . . . . 167 S CA . 50889 1 719 . 1 . 1 167 167 SER N N 15 118.333 . . . . . . . . 167 S N . 50889 1 720 . 1 . 1 168 168 TYR H H 1 8.447 . . . . . . . . 168 Y H . 50889 1 721 . 1 . 1 168 168 TYR C C 13 174.048 . . . . . . . . 168 Y C . 50889 1 722 . 1 . 1 168 168 TYR CA C 13 61.062 . . . . . . . . 168 Y CA . 50889 1 723 . 1 . 1 168 168 TYR CB C 13 36.990 . . . . . . . . 168 Y CB . 50889 1 724 . 1 . 1 168 168 TYR N N 15 124.944 . . . . . . . . 168 Y N . 50889 1 725 . 1 . 1 169 169 LEU H H 1 8.140 . . . . . . . . 169 L H . 50889 1 726 . 1 . 1 169 169 LEU C C 13 177.608 . . . . . . . . 169 L C . 50889 1 727 . 1 . 1 169 169 LEU CA C 13 57.231 . . . . . . . . 169 L CA . 50889 1 728 . 1 . 1 169 169 LEU CB C 13 40.257 . . . . . . . . 169 L CB . 50889 1 729 . 1 . 1 169 169 LEU N N 15 118.667 . . . . . . . . 169 L N . 50889 1 730 . 1 . 1 170 170 SER H H 1 7.866 . . . . . . . . 170 S H . 50889 1 731 . 1 . 1 170 170 SER C C 13 173.488 . . . . . . . . 170 S C . 50889 1 732 . 1 . 1 170 170 SER CA C 13 60.748 . . . . . . . . 170 S CA . 50889 1 733 . 1 . 1 170 170 SER CB C 13 62.413 . . . . . . . . 170 S CB . 50889 1 734 . 1 . 1 170 170 SER N N 15 115.129 . . . . . . . . 170 S N . 50889 1 735 . 1 . 1 171 171 TRP H H 1 8.110 . . . . . . . . 171 W H . 50889 1 736 . 1 . 1 171 171 TRP C C 13 175.473 . . . . . . . . 171 W C . 50889 1 737 . 1 . 1 171 171 TRP CA C 13 59.772 . . . . . . . . 171 W CA . 50889 1 738 . 1 . 1 171 171 TRP CB C 13 27.936 . . . . . . . . 171 W CB . 50889 1 739 . 1 . 1 171 171 TRP N N 15 124.655 . . . . . . . . 171 W N . 50889 1 740 . 1 . 1 172 172 LYS H H 1 8.247 . . . . . . . . 172 K H . 50889 1 741 . 1 . 1 172 172 LYS C C 13 174.822 . . . . . . . . 172 K C . 50889 1 742 . 1 . 1 172 172 LYS CA C 13 57.269 . . . . . . . . 172 K CA . 50889 1 743 . 1 . 1 172 172 LYS CB C 13 30.929 . . . . . . . . 172 K CB . 50889 1 744 . 1 . 1 172 172 LYS N N 15 119.197 . . . . . . . . 172 K N . 50889 1 745 . 1 . 1 173 173 ALA H H 1 7.457 . . . . . . . . 173 A H . 50889 1 746 . 1 . 1 173 173 ALA C C 13 175.361 . . . . . . . . 173 A C . 50889 1 747 . 1 . 1 173 173 ALA CA C 13 52.679 . . . . . . . . 173 A CA . 50889 1 748 . 1 . 1 173 173 ALA CB C 13 17.745 . . . . . . . . 173 A CB . 50889 1 749 . 1 . 1 173 173 ALA N N 15 120.667 . . . . . . . . 173 A N . 50889 1 750 . 1 . 1 174 174 HIS H H 1 7.598 . . . . . . . . 174 H H . 50889 1 751 . 1 . 1 174 174 HIS C C 13 172.283 . . . . . . . . 174 H C . 50889 1 752 . 1 . 1 174 174 HIS CA C 13 55.980 . . . . . . . . 174 H CA . 50889 1 753 . 1 . 1 174 174 HIS CB C 13 29.221 . . . . . . . . 174 H CB . 50889 1 754 . 1 . 1 174 174 HIS N N 15 116.801 . . . . . . . . 174 H N . 50889 1 755 . 1 . 1 175 175 ARG H H 1 7.701 . . . . . . . . 175 R H . 50889 1 756 . 1 . 1 175 175 ARG C C 13 172.356 . . . . . . . . 175 R C . 50889 1 757 . 1 . 1 175 175 ARG CA C 13 55.430 . . . . . . . . 175 R CA . 50889 1 758 . 1 . 1 175 175 ARG CB C 13 29.556 . . . . . . . . 175 R CB . 50889 1 759 . 1 . 1 175 175 ARG N N 15 121.875 . . . . . . . . 175 R N . 50889 1 760 . 1 . 1 176 176 LEU H H 1 7.579 . . . . . . . . 176 L H . 50889 1 761 . 1 . 1 176 176 LEU C C 13 179.565 . . . . . . . . 176 L C . 50889 1 762 . 1 . 1 176 176 LEU CA C 13 56.322 . . . . . . . . 176 L CA . 50889 1 763 . 1 . 1 176 176 LEU CB C 13 42.297 . . . . . . . . 176 L CB . 50889 1 764 . 1 . 1 176 176 LEU N N 15 128.935 . . . . . . . . 176 L N . 50889 1 stop_ save_