data_51422 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51422 _Entry.Title ; 1H, 13C and 15N backbone chemical shifts for human calmodulin in aqueous solution ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-04-28 _Entry.Accession_date 2022-04-28 _Entry.Last_release_date 2022-04-28 _Entry.Original_release_date 2022-04-28 _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 . _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 'M. Angeles' Jimenez . . . 0000-0001-6835-5850 51422 2 Laura Comas . . . 0000-0002-3843-1231 51422 3 David Pantoja-Uceda . . . 0000-0003-4390-6972 51422 4 Patricia Valdes . . . . 51422 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51422 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 431 51422 '15N chemical shifts' 145 51422 '1H chemical shifts' 145 51422 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 . . 2022-10-31 . original BMRB . 51422 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51422 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36306014 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure and function of the N-terminal extension of the formin INF2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cell. Mol. Life Sci.' _Citation.Journal_name_full 'Cellular and molecular life sciences : CMLS' _Citation.Journal_volume 79 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1420-9071 _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 571 _Citation.Page_last 571 _Citation.Year 2022 _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 Leticia Labat-de-Hoz . . . . 51422 1 2 Laura Comas . . . . 51422 1 3 Armando Rubio-Ramos . . . . 51422 1 4 Javier Casares-Arias . . . . 51422 1 5 Laura Fernandez-Martin . . . . 51422 1 6 David Pantoja-Uceda . . . . 51422 1 7 'M. Teresa' Martin . . . . 51422 1 8 Leonor Kremer . . . . 51422 1 9 'M. Angeles' Jimenez . . . . 51422 1 10 Isabel Correas . . . . 51422 1 11 Miguel Alonso . A. . . 51422 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'calmodulin, formins, calcium, actin, NMR' 51422 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51422 _Assembly.ID 1 _Assembly.Name CaM _Assembly.BMRB_code . _Assembly.Number_of_components 5 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 4 _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 '4 calcium cations are bound to CaM' _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 CaM 1 $entity_1 . . yes native no no . . . 51422 1 2 'calcium cation, 1' 2 $entity_CA . . no native no no . . . 51422 1 3 'calcium cation, 2' 2 $entity_CA . . no native no no . . . 51422 1 4 'calcium cation, 3' 2 $entity_CA . . no native no no . . . 51422 1 5 'calcium cation, 4' 2 $entity_CA . . no native no no . . . 51422 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51422 _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 ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; _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 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 'It is the holo form of calmodulin. 4 calcium ions are bound to the 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 NCBI NP_001350599.1 . 'calmodulin-1 isoform 1' . . . . . . . . . . . . . . 51422 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 . ALA . 51422 1 2 . ASP . 51422 1 3 . GLN . 51422 1 4 . LEU . 51422 1 5 . THR . 51422 1 6 . GLU . 51422 1 7 . GLU . 51422 1 8 . GLN . 51422 1 9 . ILE . 51422 1 10 . ALA . 51422 1 11 . GLU . 51422 1 12 . PHE . 51422 1 13 . LYS . 51422 1 14 . GLU . 51422 1 15 . ALA . 51422 1 16 . PHE . 51422 1 17 . SER . 51422 1 18 . LEU . 51422 1 19 . PHE . 51422 1 20 . ASP . 51422 1 21 . LYS . 51422 1 22 . ASP . 51422 1 23 . GLY . 51422 1 24 . ASP . 51422 1 25 . GLY . 51422 1 26 . THR . 51422 1 27 . ILE . 51422 1 28 . THR . 51422 1 29 . THR . 51422 1 30 . LYS . 51422 1 31 . GLU . 51422 1 32 . LEU . 51422 1 33 . GLY . 51422 1 34 . THR . 51422 1 35 . VAL . 51422 1 36 . MET . 51422 1 37 . ARG . 51422 1 38 . SER . 51422 1 39 . LEU . 51422 1 40 . GLY . 51422 1 41 . GLN . 51422 1 42 . ASN . 51422 1 43 . PRO . 51422 1 44 . THR . 51422 1 45 . GLU . 51422 1 46 . ALA . 51422 1 47 . GLU . 51422 1 48 . LEU . 51422 1 49 . GLN . 51422 1 50 . ASP . 51422 1 51 . MET . 51422 1 52 . ILE . 51422 1 53 . ASN . 51422 1 54 . GLU . 51422 1 55 . VAL . 51422 1 56 . ASP . 51422 1 57 . ALA . 51422 1 58 . ASP . 51422 1 59 . GLY . 51422 1 60 . ASN . 51422 1 61 . GLY . 51422 1 62 . THR . 51422 1 63 . ILE . 51422 1 64 . ASP . 51422 1 65 . PHE . 51422 1 66 . PRO . 51422 1 67 . GLU . 51422 1 68 . PHE . 51422 1 69 . LEU . 51422 1 70 . THR . 51422 1 71 . MET . 51422 1 72 . MET . 51422 1 73 . ALA . 51422 1 74 . ARG . 51422 1 75 . LYS . 51422 1 76 . MET . 51422 1 77 . LYS . 51422 1 78 . ASP . 51422 1 79 . THR . 51422 1 80 . ASP . 51422 1 81 . SER . 51422 1 82 . GLU . 51422 1 83 . GLU . 51422 1 84 . GLU . 51422 1 85 . ILE . 51422 1 86 . ARG . 51422 1 87 . GLU . 51422 1 88 . ALA . 51422 1 89 . PHE . 51422 1 90 . ARG . 51422 1 91 . VAL . 51422 1 92 . PHE . 51422 1 93 . ASP . 51422 1 94 . LYS . 51422 1 95 . ASP . 51422 1 96 . GLY . 51422 1 97 . ASN . 51422 1 98 . GLY . 51422 1 99 . TYR . 51422 1 100 . ILE . 51422 1 101 . SER . 51422 1 102 . ALA . 51422 1 103 . ALA . 51422 1 104 . GLU . 51422 1 105 . LEU . 51422 1 106 . ARG . 51422 1 107 . HIS . 51422 1 108 . VAL . 51422 1 109 . MET . 51422 1 110 . THR . 51422 1 111 . ASN . 51422 1 112 . LEU . 51422 1 113 . GLY . 51422 1 114 . GLU . 51422 1 115 . LYS . 51422 1 116 . LEU . 51422 1 117 . THR . 51422 1 118 . ASP . 51422 1 119 . GLU . 51422 1 120 . GLU . 51422 1 121 . VAL . 51422 1 122 . ASP . 51422 1 123 . GLU . 51422 1 124 . MET . 51422 1 125 . ILE . 51422 1 126 . ARG . 51422 1 127 . GLU . 51422 1 128 . ALA . 51422 1 129 . ASP . 51422 1 130 . ILE . 51422 1 131 . ASP . 51422 1 132 . GLY . 51422 1 133 . ASP . 51422 1 134 . GLY . 51422 1 135 . GLN . 51422 1 136 . VAL . 51422 1 137 . ASN . 51422 1 138 . TYR . 51422 1 139 . GLU . 51422 1 140 . GLU . 51422 1 141 . PHE . 51422 1 142 . VAL . 51422 1 143 . GLN . 51422 1 144 . MET . 51422 1 145 . MET . 51422 1 146 . THR . 51422 1 147 . ALA . 51422 1 148 . LYS . 51422 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 . ALA 1 1 51422 1 . ASP 2 2 51422 1 . GLN 3 3 51422 1 . LEU 4 4 51422 1 . THR 5 5 51422 1 . GLU 6 6 51422 1 . GLU 7 7 51422 1 . GLN 8 8 51422 1 . ILE 9 9 51422 1 . ALA 10 10 51422 1 . GLU 11 11 51422 1 . PHE 12 12 51422 1 . LYS 13 13 51422 1 . GLU 14 14 51422 1 . ALA 15 15 51422 1 . PHE 16 16 51422 1 . SER 17 17 51422 1 . LEU 18 18 51422 1 . PHE 19 19 51422 1 . ASP 20 20 51422 1 . LYS 21 21 51422 1 . ASP 22 22 51422 1 . GLY 23 23 51422 1 . ASP 24 24 51422 1 . GLY 25 25 51422 1 . THR 26 26 51422 1 . ILE 27 27 51422 1 . THR 28 28 51422 1 . THR 29 29 51422 1 . LYS 30 30 51422 1 . GLU 31 31 51422 1 . LEU 32 32 51422 1 . GLY 33 33 51422 1 . THR 34 34 51422 1 . VAL 35 35 51422 1 . MET 36 36 51422 1 . ARG 37 37 51422 1 . SER 38 38 51422 1 . LEU 39 39 51422 1 . GLY 40 40 51422 1 . GLN 41 41 51422 1 . ASN 42 42 51422 1 . PRO 43 43 51422 1 . THR 44 44 51422 1 . GLU 45 45 51422 1 . ALA 46 46 51422 1 . GLU 47 47 51422 1 . LEU 48 48 51422 1 . GLN 49 49 51422 1 . ASP 50 50 51422 1 . MET 51 51 51422 1 . ILE 52 52 51422 1 . ASN 53 53 51422 1 . GLU 54 54 51422 1 . VAL 55 55 51422 1 . ASP 56 56 51422 1 . ALA 57 57 51422 1 . ASP 58 58 51422 1 . GLY 59 59 51422 1 . ASN 60 60 51422 1 . GLY 61 61 51422 1 . THR 62 62 51422 1 . ILE 63 63 51422 1 . ASP 64 64 51422 1 . PHE 65 65 51422 1 . PRO 66 66 51422 1 . GLU 67 67 51422 1 . PHE 68 68 51422 1 . LEU 69 69 51422 1 . THR 70 70 51422 1 . MET 71 71 51422 1 . MET 72 72 51422 1 . ALA 73 73 51422 1 . ARG 74 74 51422 1 . LYS 75 75 51422 1 . MET 76 76 51422 1 . LYS 77 77 51422 1 . ASP 78 78 51422 1 . THR 79 79 51422 1 . ASP 80 80 51422 1 . SER 81 81 51422 1 . GLU 82 82 51422 1 . GLU 83 83 51422 1 . GLU 84 84 51422 1 . ILE 85 85 51422 1 . ARG 86 86 51422 1 . GLU 87 87 51422 1 . ALA 88 88 51422 1 . PHE 89 89 51422 1 . ARG 90 90 51422 1 . VAL 91 91 51422 1 . PHE 92 92 51422 1 . ASP 93 93 51422 1 . LYS 94 94 51422 1 . ASP 95 95 51422 1 . GLY 96 96 51422 1 . ASN 97 97 51422 1 . GLY 98 98 51422 1 . TYR 99 99 51422 1 . ILE 100 100 51422 1 . SER 101 101 51422 1 . ALA 102 102 51422 1 . ALA 103 103 51422 1 . GLU 104 104 51422 1 . LEU 105 105 51422 1 . ARG 106 106 51422 1 . HIS 107 107 51422 1 . VAL 108 108 51422 1 . MET 109 109 51422 1 . THR 110 110 51422 1 . ASN 111 111 51422 1 . LEU 112 112 51422 1 . GLY 113 113 51422 1 . GLU 114 114 51422 1 . LYS 115 115 51422 1 . LEU 116 116 51422 1 . THR 117 117 51422 1 . ASP 118 118 51422 1 . GLU 119 119 51422 1 . GLU 120 120 51422 1 . VAL 121 121 51422 1 . ASP 122 122 51422 1 . GLU 123 123 51422 1 . MET 124 124 51422 1 . ILE 125 125 51422 1 . ARG 126 126 51422 1 . GLU 127 127 51422 1 . ALA 128 128 51422 1 . ASP 129 129 51422 1 . ILE 130 130 51422 1 . ASP 131 131 51422 1 . GLY 132 132 51422 1 . ASP 133 133 51422 1 . GLY 134 134 51422 1 . GLN 135 135 51422 1 . VAL 136 136 51422 1 . ASN 137 137 51422 1 . TYR 138 138 51422 1 . GLU 139 139 51422 1 . GLU 140 140 51422 1 . PHE 141 141 51422 1 . VAL 142 142 51422 1 . GLN 143 143 51422 1 . MET 144 144 51422 1 . MET 145 145 51422 1 . THR 146 146 51422 1 . ALA 147 147 51422 1 . LYS 148 148 51422 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 51422 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name entity_CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 51422 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 51422 2 CA 'Three letter code' 51422 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 51422 2 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 51422 _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 . . . . . . . . . . . . . 51422 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 51422 _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 . . . plasmid . . R701-X65-527 . . . 51422 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 51422 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 51422 CA InChI=1S/Ca/q+2 InChI InChI 1.03 51422 CA [Ca++] SMILES CACTVS 3.341 51422 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 51422 CA [Ca+2] SMILES ACDLabs 10.04 51422 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 51422 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 51422 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 51422 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 51422 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 51422 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51422 _Sample.ID 1 _Sample.Name sample_1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system water _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 CaM '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.25 . . mM . . . . 51422 1 2 D2O [U-2H] . . . . . . 10 . . '% v/v' . . . . 51422 1 3 H2O 'natural abundance' . . . . . . 90 . . '% v/v' . . . . 51422 1 4 Tris-HCl 'natural abundance' . . . . . . 20 . . mM . . . . 51422 1 5 NaCl 'natural abundance' . . . . . . 10 . . mM . . . . 51422 1 6 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 51422 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 51422 _Sample_condition_list.ID 1 _Sample_condition_list.Name 25H _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 pH 7.0 . pH 51422 1 pressure 1 . atm 51422 1 temperature 298 . K 51422 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51422 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51422 1 processing . 51422 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51422 _Software.ID 2 _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' . 51422 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 51422 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name AVNEO-800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '800 MHz' 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 51422 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51422 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51422 1 3 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51422 1 4 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51422 1 5 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51422 1 6 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51422 1 7 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51422 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 51422 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'chemical shift reference set_1' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 51422 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51422 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51422 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 51422 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name CaM _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51422 1 2 '3D HNCO' . . . 51422 1 3 '3D HN(CA)CO' . . . 51422 1 4 '3D HNCA' . . . 51422 1 5 '3D HN(CO)CA' . . . 51422 1 6 '3D CBCA(CO)NH' . . . 51422 1 7 '3D HNCACB' . . . 51422 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 2 $software_2 . . 51422 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 ALA C C 13 174.654 0.001 . 1 . . . . . 1 ALA C . 51422 1 2 . 1 . 1 1 1 ALA CA C 13 50.430 0.027 . 1 . . . . . 1 ALA CA . 51422 1 3 . 1 . 1 1 1 ALA CB C 13 16.318 0.014 . 1 . . . . . 1 ALA CB . 51422 1 4 . 1 . 1 2 2 ASP H H 1 8.413 0.002 . 1 . . . . . 2 ASP H . 51422 1 5 . 1 . 1 2 2 ASP C C 13 173.317 0.004 . 1 . . . . . 2 ASP C . 51422 1 6 . 1 . 1 2 2 ASP CA C 13 52.093 0.048 . 1 . . . . . 2 ASP CA . 51422 1 7 . 1 . 1 2 2 ASP CB C 13 37.880 0.032 . 1 . . . . . 2 ASP CB . 51422 1 8 . 1 . 1 2 2 ASP N N 15 117.770 0.006 . 1 . . . . . 2 ASP N . 51422 1 9 . 1 . 1 3 3 GLN H H 1 7.971 0.002 . 1 . . . . . 3 GLN H . 51422 1 10 . 1 . 1 3 3 GLN C C 13 173.053 0.009 . 1 . . . . . 3 GLN C . 51422 1 11 . 1 . 1 3 3 GLN CA C 13 52.840 0.037 . 1 . . . . . 3 GLN CA . 51422 1 12 . 1 . 1 3 3 GLN CB C 13 26.932 0.069 . 1 . . . . . 3 GLN CB . 51422 1 13 . 1 . 1 3 3 GLN N N 15 118.757 0.037 . 1 . . . . . 3 GLN N . 51422 1 14 . 1 . 1 4 4 LEU H H 1 7.952 0.002 . 1 . . . . . 4 LEU H . 51422 1 15 . 1 . 1 4 4 LEU C C 13 175.029 0.030 . 1 . . . . . 4 LEU C . 51422 1 16 . 1 . 1 4 4 LEU CA C 13 51.710 0.034 . 1 . . . . . 4 LEU CA . 51422 1 17 . 1 . 1 4 4 LEU CB C 13 40.726 0.047 . 1 . . . . . 4 LEU CB . 51422 1 18 . 1 . 1 4 4 LEU N N 15 122.343 0.025 . 1 . . . . . 4 LEU N . 51422 1 19 . 1 . 1 5 5 THR H H 1 8.706 0.003 . 1 . . . . . 5 THR H . 51422 1 20 . 1 . 1 5 5 THR C C 13 172.769 0.007 . 1 . . . . . 5 THR C . 51422 1 21 . 1 . 1 5 5 THR CA C 13 57.730 0.012 . 1 . . . . . 5 THR CA . 51422 1 22 . 1 . 1 5 5 THR CB C 13 68.514 0.007 . 1 . . . . . 5 THR CB . 51422 1 23 . 1 . 1 5 5 THR N N 15 113.057 0.038 . 1 . . . . . 5 THR N . 51422 1 24 . 1 . 1 6 6 GLU H H 1 8.969 0.002 . 1 . . . . . 6 GLU H . 51422 1 25 . 1 . 1 6 6 GLU C C 13 176.819 0.017 . 1 . . . . . 6 GLU C . 51422 1 26 . 1 . 1 6 6 GLU CA C 13 57.339 0.037 . 1 . . . . . 6 GLU CA . 51422 1 27 . 1 . 1 6 6 GLU CB C 13 26.499 0.021 . 1 . . . . . 6 GLU CB . 51422 1 28 . 1 . 1 6 6 GLU N N 15 120.395 0.022 . 1 . . . . . 6 GLU N . 51422 1 29 . 1 . 1 7 7 GLU H H 1 8.670 0.002 . 1 . . . . . 7 GLU H . 51422 1 30 . 1 . 1 7 7 GLU C C 13 176.531 0.013 . 1 . . . . . 7 GLU C . 51422 1 31 . 1 . 1 7 7 GLU CA C 13 57.399 0.035 . 1 . . . . . 7 GLU CA . 51422 1 32 . 1 . 1 7 7 GLU CB C 13 26.329 0.048 . 1 . . . . . 7 GLU CB . 51422 1 33 . 1 . 1 7 7 GLU N N 15 119.569 0.016 . 1 . . . . . 7 GLU N . 51422 1 34 . 1 . 1 8 8 GLN H H 1 7.686 0.003 . 1 . . . . . 8 GLN H . 51422 1 35 . 1 . 1 8 8 GLN C C 13 175.617 0.018 . 1 . . . . . 8 GLN C . 51422 1 36 . 1 . 1 8 8 GLN CA C 13 55.910 0.055 . 1 . . . . . 8 GLN CA . 51422 1 37 . 1 . 1 8 8 GLN CB C 13 26.495 0.070 . 1 . . . . . 8 GLN CB . 51422 1 38 . 1 . 1 8 8 GLN N N 15 120.331 0.033 . 1 . . . . . 8 GLN N . 51422 1 39 . 1 . 1 9 9 ILE H H 1 8.355 0.004 . 1 . . . . . 9 ILE H . 51422 1 40 . 1 . 1 9 9 ILE C C 13 175.071 0.011 . 1 . . . . . 9 ILE C . 51422 1 41 . 1 . 1 9 9 ILE CA C 13 63.608 0.084 . 1 . . . . . 9 ILE CA . 51422 1 42 . 1 . 1 9 9 ILE CB C 13 35.094 0.061 . 1 . . . . . 9 ILE CB . 51422 1 43 . 1 . 1 9 9 ILE N N 15 119.627 0.029 . 1 . . . . . 9 ILE N . 51422 1 44 . 1 . 1 10 10 ALA H H 1 7.935 0.002 . 1 . . . . . 10 ALA H . 51422 1 45 . 1 . 1 10 10 ALA C C 13 178.385 0.012 . 1 . . . . . 10 ALA C . 51422 1 46 . 1 . 1 10 10 ALA CA C 13 52.759 0.039 . 1 . . . . . 10 ALA CA . 51422 1 47 . 1 . 1 10 10 ALA CB C 13 15.084 0.025 . 1 . . . . . 10 ALA CB . 51422 1 48 . 1 . 1 10 10 ALA N N 15 121.220 0.047 . 1 . . . . . 10 ALA N . 51422 1 49 . 1 . 1 11 11 GLU H H 1 7.727 0.003 . 1 . . . . . 11 GLU H . 51422 1 50 . 1 . 1 11 11 GLU C C 13 177.877 0.008 . 1 . . . . . 11 GLU C . 51422 1 51 . 1 . 1 11 11 GLU CA C 13 56.648 0.060 . 1 . . . . . 11 GLU CA . 51422 1 52 . 1 . 1 11 11 GLU CB C 13 26.302 0.033 . 1 . . . . . 11 GLU CB . 51422 1 53 . 1 . 1 11 11 GLU N N 15 119.762 0.057 . 1 . . . . . 11 GLU N . 51422 1 54 . 1 . 1 12 12 PHE H H 1 8.538 0.003 . 1 . . . . . 12 PHE H . 51422 1 55 . 1 . 1 12 12 PHE C C 13 175.985 0.001 . 1 . . . . . 12 PHE C . 51422 1 56 . 1 . 1 12 12 PHE CA C 13 56.371 0.022 . 1 . . . . . 12 PHE CA . 51422 1 57 . 1 . 1 12 12 PHE CB C 13 35.083 0.045 . 1 . . . . . 12 PHE CB . 51422 1 58 . 1 . 1 12 12 PHE N N 15 120.242 0.052 . 1 . . . . . 12 PHE N . 51422 1 59 . 1 . 1 13 13 LYS H H 1 9.160 0.003 . 1 . . . . . 13 LYS H . 51422 1 60 . 1 . 1 13 13 LYS C C 13 176.617 0.025 . 1 . . . . . 13 LYS C . 51422 1 61 . 1 . 1 13 13 LYS CA C 13 57.456 0.013 . 1 . . . . . 13 LYS CA . 51422 1 62 . 1 . 1 13 13 LYS CB C 13 29.154 0.091 . 1 . . . . . 13 LYS CB . 51422 1 63 . 1 . 1 13 13 LYS N N 15 123.756 0.030 . 1 . . . . . 13 LYS N . 51422 1 64 . 1 . 1 14 14 GLU H H 1 7.692 0.002 . 1 . . . . . 14 GLU H . 51422 1 65 . 1 . 1 14 14 GLU C C 13 176.770 0.014 . 1 . . . . . 14 GLU C . 51422 1 66 . 1 . 1 14 14 GLU CA C 13 56.664 0.016 . 1 . . . . . 14 GLU CA . 51422 1 67 . 1 . 1 14 14 GLU CB C 13 26.412 0.004 . 1 . . . . . 14 GLU CB . 51422 1 68 . 1 . 1 14 14 GLU N N 15 120.290 0.037 . 1 . . . . . 14 GLU N . 51422 1 69 . 1 . 1 15 15 ALA H H 1 7.939 0.003 . 1 . . . . . 15 ALA H . 51422 1 70 . 1 . 1 15 15 ALA C C 13 176.500 0.006 . 1 . . . . . 15 ALA C . 51422 1 71 . 1 . 1 15 15 ALA CA C 13 52.637 0.025 . 1 . . . . . 15 ALA CA . 51422 1 72 . 1 . 1 15 15 ALA CB C 13 15.283 0.017 . 1 . . . . . 15 ALA CB . 51422 1 73 . 1 . 1 15 15 ALA N N 15 122.677 0.026 . 1 . . . . . 15 ALA N . 51422 1 74 . 1 . 1 16 16 PHE H H 1 8.794 0.003 . 1 . . . . . 16 PHE H . 51422 1 75 . 1 . 1 16 16 PHE C C 13 174.668 0.017 . 1 . . . . . 16 PHE C . 51422 1 76 . 1 . 1 16 16 PHE CA C 13 59.263 0.047 . 1 . . . . . 16 PHE CA . 51422 1 77 . 1 . 1 16 16 PHE CB C 13 36.773 0.013 . 1 . . . . . 16 PHE CB . 51422 1 78 . 1 . 1 16 16 PHE N N 15 119.428 0.037 . 1 . . . . . 16 PHE N . 51422 1 79 . 1 . 1 17 17 SER H H 1 7.852 0.003 . 1 . . . . . 17 SER H . 51422 1 80 . 1 . 1 17 17 SER C C 13 172.288 0.000 . 1 . . . . . 17 SER C . 51422 1 81 . 1 . 1 17 17 SER CA C 13 58.775 0.070 . 1 . . . . . 17 SER CA . 51422 1 82 . 1 . 1 17 17 SER CB C 13 60.520 0.051 . 1 . . . . . 17 SER CB . 51422 1 83 . 1 . 1 17 17 SER N N 15 112.729 0.013 . 1 . . . . . 17 SER N . 51422 1 84 . 1 . 1 18 18 LEU H H 1 7.366 0.002 . 1 . . . . . 18 LEU H . 51422 1 85 . 1 . 1 18 18 LEU C C 13 175.405 0.001 . 1 . . . . . 18 LEU C . 51422 1 86 . 1 . 1 18 18 LEU CA C 13 54.484 0.023 . 1 . . . . . 18 LEU CA . 51422 1 87 . 1 . 1 18 18 LEU CB C 13 38.672 0.040 . 1 . . . . . 18 LEU CB . 51422 1 88 . 1 . 1 18 18 LEU N N 15 120.858 0.024 . 1 . . . . . 18 LEU N . 51422 1 89 . 1 . 1 19 19 PHE H H 1 7.256 0.003 . 1 . . . . . 19 PHE H . 51422 1 90 . 1 . 1 19 19 PHE C C 13 174.219 0.013 . 1 . . . . . 19 PHE C . 51422 1 91 . 1 . 1 19 19 PHE CA C 13 56.707 0.029 . 1 . . . . . 19 PHE CA . 51422 1 92 . 1 . 1 19 19 PHE CB C 13 38.196 0.044 . 1 . . . . . 19 PHE CB . 51422 1 93 . 1 . 1 19 19 PHE N N 15 115.163 0.039 . 1 . . . . . 19 PHE N . 51422 1 94 . 1 . 1 20 20 ASP H H 1 7.809 0.003 . 1 . . . . . 20 ASP H . 51422 1 95 . 1 . 1 20 20 ASP C C 13 174.509 0.023 . 1 . . . . . 20 ASP C . 51422 1 96 . 1 . 1 20 20 ASP CA C 13 49.723 0.041 . 1 . . . . . 20 ASP CA . 51422 1 97 . 1 . 1 20 20 ASP CB C 13 36.177 0.063 . 1 . . . . . 20 ASP CB . 51422 1 98 . 1 . 1 20 20 ASP N N 15 117.852 0.051 . 1 . . . . . 20 ASP N . 51422 1 99 . 1 . 1 21 21 LYS H H 1 7.616 0.002 . 1 . . . . . 21 LYS H . 51422 1 100 . 1 . 1 21 21 LYS C C 13 175.411 0.006 . 1 . . . . . 21 LYS C . 51422 1 101 . 1 . 1 21 21 LYS CA C 13 55.866 0.027 . 1 . . . . . 21 LYS CA . 51422 1 102 . 1 . 1 21 21 LYS CB C 13 29.850 0.086 . 1 . . . . . 21 LYS CB . 51422 1 103 . 1 . 1 21 21 LYS N N 15 124.280 0.035 . 1 . . . . . 21 LYS N . 51422 1 104 . 1 . 1 22 22 ASP H H 1 7.965 0.002 . 1 . . . . . 22 ASP H . 51422 1 105 . 1 . 1 22 22 ASP C C 13 174.976 0.005 . 1 . . . . . 22 ASP C . 51422 1 106 . 1 . 1 22 22 ASP CA C 13 50.101 0.013 . 1 . . . . . 22 ASP CA . 51422 1 107 . 1 . 1 22 22 ASP CB C 13 36.799 0.075 . 1 . . . . . 22 ASP CB . 51422 1 108 . 1 . 1 22 22 ASP N N 15 113.858 0.036 . 1 . . . . . 22 ASP N . 51422 1 109 . 1 . 1 23 23 GLY H H 1 7.615 0.003 . 1 . . . . . 23 GLY H . 51422 1 110 . 1 . 1 23 23 GLY C C 13 172.439 0.015 . 1 . . . . . 23 GLY C . 51422 1 111 . 1 . 1 23 23 GLY CA C 13 44.515 0.013 . 1 . . . . . 23 GLY CA . 51422 1 112 . 1 . 1 23 23 GLY N N 15 109.210 0.035 . 1 . . . . . 23 GLY N . 51422 1 113 . 1 . 1 24 24 ASP H H 1 8.309 0.003 . 1 . . . . . 24 ASP H . 51422 1 114 . 1 . 1 24 24 ASP C C 13 174.740 0.006 . 1 . . . . . 24 ASP C . 51422 1 115 . 1 . 1 24 24 ASP CA C 13 51.009 0.057 . 1 . . . . . 24 ASP CA . 51422 1 116 . 1 . 1 24 24 ASP CB C 13 37.663 0.069 . 1 . . . . . 24 ASP CB . 51422 1 117 . 1 . 1 24 24 ASP N N 15 120.582 0.025 . 1 . . . . . 24 ASP N . 51422 1 118 . 1 . 1 25 25 GLY H H 1 10.561 0.004 . 1 . . . . . 25 GLY H . 51422 1 119 . 1 . 1 25 25 GLY C C 13 170.999 0.002 . 1 . . . . . 25 GLY C . 51422 1 120 . 1 . 1 25 25 GLY CA C 13 42.767 0.064 . 1 . . . . . 25 GLY CA . 51422 1 121 . 1 . 1 25 25 GLY N N 15 113.183 0.094 . 1 . . . . . 25 GLY N . 51422 1 122 . 1 . 1 26 26 THR H H 1 8.046 0.003 . 1 . . . . . 26 THR H . 51422 1 123 . 1 . 1 26 26 THR C C 13 170.214 0.006 . 1 . . . . . 26 THR C . 51422 1 124 . 1 . 1 26 26 THR CA C 13 57.122 0.067 . 1 . . . . . 26 THR CA . 51422 1 125 . 1 . 1 26 26 THR CB C 13 69.933 0.085 . 1 . . . . . 26 THR CB . 51422 1 126 . 1 . 1 26 26 THR N N 15 112.812 0.026 . 1 . . . . . 26 THR N . 51422 1 127 . 1 . 1 27 27 ILE H H 1 9.726 0.005 . 1 . . . . . 27 ILE H . 51422 1 128 . 1 . 1 27 27 ILE C C 13 173.362 0.000 . 1 . . . . . 27 ILE C . 51422 1 129 . 1 . 1 27 27 ILE CA C 13 57.786 0.043 . 1 . . . . . 27 ILE CA . 51422 1 130 . 1 . 1 27 27 ILE CB C 13 36.861 0.083 . 1 . . . . . 27 ILE CB . 51422 1 131 . 1 . 1 27 27 ILE N N 15 126.816 0.023 . 1 . . . . . 27 ILE N . 51422 1 132 . 1 . 1 28 28 THR H H 1 8.374 0.002 . 1 . . . . . 28 THR H . 51422 1 133 . 1 . 1 28 28 THR C C 13 173.916 0.010 . 1 . . . . . 28 THR C . 51422 1 134 . 1 . 1 28 28 THR CA C 13 56.925 0.054 . 1 . . . . . 28 THR CA . 51422 1 135 . 1 . 1 28 28 THR CB C 13 69.797 0.047 . 1 . . . . . 28 THR CB . 51422 1 136 . 1 . 1 28 28 THR N N 15 116.371 0.033 . 1 . . . . . 28 THR N . 51422 1 137 . 1 . 1 29 29 THR H H 1 9.053 0.003 . 1 . . . . . 29 THR H . 51422 1 138 . 1 . 1 29 29 THR C C 13 174.553 0.007 . 1 . . . . . 29 THR C . 51422 1 139 . 1 . 1 29 29 THR CA C 13 63.763 0.069 . 1 . . . . . 29 THR CA . 51422 1 140 . 1 . 1 29 29 THR CB C 13 65.195 0.005 . 1 . . . . . 29 THR CB . 51422 1 141 . 1 . 1 29 29 THR N N 15 112.741 0.043 . 1 . . . . . 29 THR N . 51422 1 142 . 1 . 1 30 30 LYS H H 1 7.606 0.002 . 1 . . . . . 30 LYS H . 51422 1 143 . 1 . 1 30 30 LYS C C 13 177.186 0.001 . 1 . . . . . 30 LYS C . 51422 1 144 . 1 . 1 30 30 LYS CA C 13 56.502 0.025 . 1 . . . . . 30 LYS CA . 51422 1 145 . 1 . 1 30 30 LYS CB C 13 29.748 0.078 . 1 . . . . . 30 LYS CB . 51422 1 146 . 1 . 1 30 30 LYS N N 15 120.905 0.033 . 1 . . . . . 30 LYS N . 51422 1 147 . 1 . 1 31 31 GLU H H 1 7.612 0.003 . 1 . . . . . 31 GLU H . 51422 1 148 . 1 . 1 31 31 GLU C C 13 176.523 0.017 . 1 . . . . . 31 GLU C . 51422 1 149 . 1 . 1 31 31 GLU CA C 13 56.623 0.084 . 1 . . . . . 31 GLU CA . 51422 1 150 . 1 . 1 31 31 GLU CB C 13 27.127 0.078 . 1 . . . . . 31 GLU CB . 51422 1 151 . 1 . 1 31 31 GLU N N 15 121.474 0.022 . 1 . . . . . 31 GLU N . 51422 1 152 . 1 . 1 32 32 LEU H H 1 8.658 0.005 . 1 . . . . . 32 LEU H . 51422 1 153 . 1 . 1 32 32 LEU C C 13 176.243 0.028 . 1 . . . . . 32 LEU C . 51422 1 154 . 1 . 1 32 32 LEU CA C 13 55.393 0.034 . 1 . . . . . 32 LEU CA . 51422 1 155 . 1 . 1 32 32 LEU CB C 13 39.998 0.071 . 1 . . . . . 32 LEU CB . 51422 1 156 . 1 . 1 32 32 LEU N N 15 120.778 0.060 . 1 . . . . . 32 LEU N . 51422 1 157 . 1 . 1 33 33 GLY H H 1 8.579 0.004 . 1 . . . . . 33 GLY H . 51422 1 158 . 1 . 1 33 33 GLY C C 13 172.449 0.012 . 1 . . . . . 33 GLY C . 51422 1 159 . 1 . 1 33 33 GLY CA C 13 45.647 0.041 . 1 . . . . . 33 GLY CA . 51422 1 160 . 1 . 1 33 33 GLY N N 15 105.599 0.059 . 1 . . . . . 33 GLY N . 51422 1 161 . 1 . 1 34 34 THR H H 1 7.836 0.004 . 1 . . . . . 34 THR H . 51422 1 162 . 1 . 1 34 34 THR C C 13 174.468 0.000 . 1 . . . . . 34 THR C . 51422 1 163 . 1 . 1 34 34 THR CA C 13 64.239 0.039 . 1 . . . . . 34 THR CA . 51422 1 164 . 1 . 1 34 34 THR CB C 13 66.063 0.064 . 1 . . . . . 34 THR CB . 51422 1 165 . 1 . 1 34 34 THR N N 15 118.033 0.061 . 1 . . . . . 34 THR N . 51422 1 166 . 1 . 1 35 35 VAL H H 1 7.531 0.003 . 1 . . . . . 35 VAL H . 51422 1 167 . 1 . 1 35 35 VAL C C 13 176.587 0.019 . 1 . . . . . 35 VAL C . 51422 1 168 . 1 . 1 35 35 VAL CA C 13 63.545 0.056 . 1 . . . . . 35 VAL CA . 51422 1 169 . 1 . 1 35 35 VAL CB C 13 28.636 0.054 . 1 . . . . . 35 VAL CB . 51422 1 170 . 1 . 1 35 35 VAL N N 15 122.030 0.018 . 1 . . . . . 35 VAL N . 51422 1 171 . 1 . 1 36 36 MET H H 1 8.405 0.002 . 1 . . . . . 36 MET H . 51422 1 172 . 1 . 1 36 36 MET C C 13 176.458 0.002 . 1 . . . . . 36 MET C . 51422 1 173 . 1 . 1 36 36 MET CA C 13 56.452 0.045 . 1 . . . . . 36 MET CA . 51422 1 174 . 1 . 1 36 36 MET CB C 13 28.601 0.037 . 1 . . . . . 36 MET CB . 51422 1 175 . 1 . 1 36 36 MET N N 15 118.584 0.035 . 1 . . . . . 36 MET N . 51422 1 176 . 1 . 1 37 37 ARG H H 1 8.473 0.003 . 1 . . . . . 37 ARG H . 51422 1 177 . 1 . 1 37 37 ARG C C 13 178.562 0.009 . 1 . . . . . 37 ARG C . 51422 1 178 . 1 . 1 37 37 ARG CA C 13 56.446 0.060 . 1 . . . . . 37 ARG CA . 51422 1 179 . 1 . 1 37 37 ARG CB C 13 27.237 0.067 . 1 . . . . . 37 ARG CB . 51422 1 180 . 1 . 1 37 37 ARG N N 15 118.999 0.016 . 1 . . . . . 37 ARG N . 51422 1 181 . 1 . 1 38 38 SER H H 1 7.835 0.002 . 1 . . . . . 38 SER H . 51422 1 182 . 1 . 1 38 38 SER C C 13 172.230 0.000 . 1 . . . . . 38 SER C . 51422 1 183 . 1 . 1 38 38 SER CA C 13 58.845 0.029 . 1 . . . . . 38 SER CA . 51422 1 184 . 1 . 1 38 38 SER CB C 13 60.158 0.074 . 1 . . . . . 38 SER CB . 51422 1 185 . 1 . 1 38 38 SER N N 15 118.816 0.032 . 1 . . . . . 38 SER N . 51422 1 186 . 1 . 1 39 39 LEU H H 1 7.309 0.003 . 1 . . . . . 39 LEU H . 51422 1 187 . 1 . 1 39 39 LEU C C 13 174.840 0.020 . 1 . . . . . 39 LEU C . 51422 1 188 . 1 . 1 39 39 LEU CA C 13 51.894 0.023 . 1 . . . . . 39 LEU CA . 51422 1 189 . 1 . 1 39 39 LEU CB C 13 39.332 0.062 . 1 . . . . . 39 LEU CB . 51422 1 190 . 1 . 1 39 39 LEU N N 15 120.938 0.049 . 1 . . . . . 39 LEU N . 51422 1 191 . 1 . 1 40 40 GLY H H 1 7.811 0.004 . 1 . . . . . 40 GLY H . 51422 1 192 . 1 . 1 40 40 GLY C C 13 171.687 0.000 . 1 . . . . . 40 GLY C . 51422 1 193 . 1 . 1 40 40 GLY CA C 13 42.828 0.038 . 1 . . . . . 40 GLY CA . 51422 1 194 . 1 . 1 40 40 GLY N N 15 106.975 0.050 . 1 . . . . . 40 GLY N . 51422 1 195 . 1 . 1 41 41 GLN H H 1 7.712 0.003 . 1 . . . . . 41 GLN H . 51422 1 196 . 1 . 1 41 41 GLN C C 13 171.440 0.014 . 1 . . . . . 41 GLN C . 51422 1 197 . 1 . 1 41 41 GLN CA C 13 51.903 0.039 . 1 . . . . . 41 GLN CA . 51422 1 198 . 1 . 1 41 41 GLN CB C 13 27.840 0.006 . 1 . . . . . 41 GLN CB . 51422 1 199 . 1 . 1 41 41 GLN N N 15 118.462 0.031 . 1 . . . . . 41 GLN N . 51422 1 200 . 1 . 1 42 42 ASN H H 1 8.667 0.004 . 1 . . . . . 42 ASN H . 51422 1 201 . 1 . 1 42 42 ASN C C 13 169.204 0.000 . 1 . . . . . 42 ASN C . 51422 1 202 . 1 . 1 42 42 ASN CA C 13 48.528 0.000 . 1 . . . . . 42 ASN CA . 51422 1 203 . 1 . 1 42 42 ASN CB C 13 36.491 0.000 . 1 . . . . . 42 ASN CB . 51422 1 204 . 1 . 1 42 42 ASN N N 15 116.274 0.041 . 1 . . . . . 42 ASN N . 51422 1 205 . 1 . 1 43 43 PRO C C 13 175.069 0.000 . 1 . . . . . 43 PRO C . 51422 1 206 . 1 . 1 43 43 PRO CA C 13 59.687 0.019 . 1 . . . . . 43 PRO CA . 51422 1 207 . 1 . 1 43 43 PRO CB C 13 29.264 0.080 . 1 . . . . . 43 PRO CB . 51422 1 208 . 1 . 1 44 44 THR H H 1 8.711 0.004 . 1 . . . . . 44 THR H . 51422 1 209 . 1 . 1 44 44 THR C C 13 172.450 0.011 . 1 . . . . . 44 THR C . 51422 1 210 . 1 . 1 44 44 THR CA C 13 57.807 0.030 . 1 . . . . . 44 THR CA . 51422 1 211 . 1 . 1 44 44 THR CB C 13 68.462 0.073 . 1 . . . . . 44 THR CB . 51422 1 212 . 1 . 1 44 44 THR N N 15 113.099 0.024 . 1 . . . . . 44 THR N . 51422 1 213 . 1 . 1 45 45 GLU H H 1 8.746 0.003 . 1 . . . . . 45 GLU H . 51422 1 214 . 1 . 1 45 45 GLU C C 13 176.285 0.010 . 1 . . . . . 45 GLU C . 51422 1 215 . 1 . 1 45 45 GLU CA C 13 57.275 0.038 . 1 . . . . . 45 GLU CA . 51422 1 216 . 1 . 1 45 45 GLU CB C 13 26.186 0.012 . 1 . . . . . 45 GLU CB . 51422 1 217 . 1 . 1 45 45 GLU N N 15 120.562 0.023 . 1 . . . . . 45 GLU N . 51422 1 218 . 1 . 1 46 46 ALA H H 1 8.213 0.002 . 1 . . . . . 46 ALA H . 51422 1 219 . 1 . 1 46 46 ALA C C 13 177.544 0.015 . 1 . . . . . 46 ALA C . 51422 1 220 . 1 . 1 46 46 ALA CA C 13 52.338 0.058 . 1 . . . . . 46 ALA CA . 51422 1 221 . 1 . 1 46 46 ALA CB C 13 15.421 0.016 . 1 . . . . . 46 ALA CB . 51422 1 222 . 1 . 1 46 46 ALA N N 15 120.797 0.020 . 1 . . . . . 46 ALA N . 51422 1 223 . 1 . 1 47 47 GLU H H 1 7.642 0.002 . 1 . . . . . 47 GLU H . 51422 1 224 . 1 . 1 47 47 GLU C C 13 177.557 0.015 . 1 . . . . . 47 GLU C . 51422 1 225 . 1 . 1 47 47 GLU CA C 13 56.307 0.041 . 1 . . . . . 47 GLU CA . 51422 1 226 . 1 . 1 47 47 GLU CB C 13 27.016 0.044 . 1 . . . . . 47 GLU CB . 51422 1 227 . 1 . 1 47 47 GLU N N 15 118.712 0.062 . 1 . . . . . 47 GLU N . 51422 1 228 . 1 . 1 48 48 LEU H H 1 8.117 0.002 . 1 . . . . . 48 LEU H . 51422 1 229 . 1 . 1 48 48 LEU C C 13 175.786 0.014 . 1 . . . . . 48 LEU C . 51422 1 230 . 1 . 1 48 48 LEU CA C 13 55.212 0.065 . 1 . . . . . 48 LEU CA . 51422 1 231 . 1 . 1 48 48 LEU CB C 13 39.624 0.089 . 1 . . . . . 48 LEU CB . 51422 1 232 . 1 . 1 48 48 LEU N N 15 120.498 0.022 . 1 . . . . . 48 LEU N . 51422 1 233 . 1 . 1 49 49 GLN H H 1 8.125 0.004 . 1 . . . . . 49 GLN H . 51422 1 234 . 1 . 1 49 49 GLN C C 13 175.804 0.000 . 1 . . . . . 49 GLN C . 51422 1 235 . 1 . 1 49 49 GLN CA C 13 55.850 0.051 . 1 . . . . . 49 GLN CA . 51422 1 236 . 1 . 1 49 49 GLN CB C 13 25.335 0.098 . 1 . . . . . 49 GLN CB . 51422 1 237 . 1 . 1 49 49 GLN N N 15 118.307 0.013 . 1 . . . . . 49 GLN N . 51422 1 238 . 1 . 1 50 50 ASP H H 1 8.031 0.002 . 1 . . . . . 50 ASP H . 51422 1 239 . 1 . 1 50 50 ASP C C 13 175.918 0.011 . 1 . . . . . 50 ASP C . 51422 1 240 . 1 . 1 50 50 ASP CA C 13 54.879 0.072 . 1 . . . . . 50 ASP CA . 51422 1 241 . 1 . 1 50 50 ASP CB C 13 37.532 0.041 . 1 . . . . . 50 ASP CB . 51422 1 242 . 1 . 1 50 50 ASP N N 15 119.943 0.023 . 1 . . . . . 50 ASP N . 51422 1 243 . 1 . 1 51 51 MET H H 1 7.783 0.002 . 1 . . . . . 51 MET H . 51422 1 244 . 1 . 1 51 51 MET C C 13 176.253 0.026 . 1 . . . . . 51 MET C . 51422 1 245 . 1 . 1 51 51 MET CA C 13 56.673 0.022 . 1 . . . . . 51 MET CA . 51422 1 246 . 1 . 1 51 51 MET CB C 13 30.503 0.061 . 1 . . . . . 51 MET CB . 51422 1 247 . 1 . 1 51 51 MET N N 15 119.328 0.036 . 1 . . . . . 51 MET N . 51422 1 248 . 1 . 1 52 52 ILE H H 1 7.631 0.003 . 1 . . . . . 52 ILE H . 51422 1 249 . 1 . 1 52 52 ILE C C 13 175.064 0.004 . 1 . . . . . 52 ILE C . 51422 1 250 . 1 . 1 52 52 ILE CA C 13 62.183 0.069 . 1 . . . . . 52 ILE CA . 51422 1 251 . 1 . 1 52 52 ILE CB C 13 34.492 0.125 . 1 . . . . . 52 ILE CB . 51422 1 252 . 1 . 1 52 52 ILE N N 15 118.207 0.033 . 1 . . . . . 52 ILE N . 51422 1 253 . 1 . 1 53 53 ASN H H 1 8.524 0.003 . 1 . . . . . 53 ASN H . 51422 1 254 . 1 . 1 53 53 ASN C C 13 174.738 0.000 . 1 . . . . . 53 ASN C . 51422 1 255 . 1 . 1 53 53 ASN CA C 13 53.192 0.035 . 1 . . . . . 53 ASN CA . 51422 1 256 . 1 . 1 53 53 ASN CB C 13 35.220 0.036 . 1 . . . . . 53 ASN CB . 51422 1 257 . 1 . 1 53 53 ASN N N 15 117.719 0.041 . 1 . . . . . 53 ASN N . 51422 1 258 . 1 . 1 54 54 GLU H H 1 7.507 0.002 . 1 . . . . . 54 GLU H . 51422 1 259 . 1 . 1 54 54 GLU C C 13 174.909 0.015 . 1 . . . . . 54 GLU C . 51422 1 260 . 1 . 1 54 54 GLU CA C 13 56.195 0.059 . 1 . . . . . 54 GLU CA . 51422 1 261 . 1 . 1 54 54 GLU CB C 13 27.700 0.014 . 1 . . . . . 54 GLU CB . 51422 1 262 . 1 . 1 54 54 GLU N N 15 116.362 0.024 . 1 . . . . . 54 GLU N . 51422 1 263 . 1 . 1 55 55 VAL H H 1 7.150 0.003 . 1 . . . . . 55 VAL H . 51422 1 264 . 1 . 1 55 55 VAL C C 13 173.052 0.029 . 1 . . . . . 55 VAL C . 51422 1 265 . 1 . 1 55 55 VAL CA C 13 57.988 0.030 . 1 . . . . . 55 VAL CA . 51422 1 266 . 1 . 1 55 55 VAL CB C 13 29.873 0.079 . 1 . . . . . 55 VAL CB . 51422 1 267 . 1 . 1 55 55 VAL N N 15 108.179 0.043 . 1 . . . . . 55 VAL N . 51422 1 268 . 1 . 1 56 56 ASP H H 1 7.581 0.004 . 1 . . . . . 56 ASP H . 51422 1 269 . 1 . 1 56 56 ASP C C 13 173.576 0.009 . 1 . . . . . 56 ASP C . 51422 1 270 . 1 . 1 56 56 ASP CA C 13 51.057 0.032 . 1 . . . . . 56 ASP CA . 51422 1 271 . 1 . 1 56 56 ASP CB C 13 37.324 0.023 . 1 . . . . . 56 ASP CB . 51422 1 272 . 1 . 1 56 56 ASP N N 15 121.900 0.039 . 1 . . . . . 56 ASP N . 51422 1 273 . 1 . 1 57 57 ALA H H 1 8.398 0.003 . 1 . . . . . 57 ALA H . 51422 1 274 . 1 . 1 57 57 ALA C C 13 175.942 0.018 . 1 . . . . . 57 ALA C . 51422 1 275 . 1 . 1 57 57 ALA CA C 13 51.680 0.049 . 1 . . . . . 57 ALA CA . 51422 1 276 . 1 . 1 57 57 ALA CB C 13 16.591 0.021 . 1 . . . . . 57 ALA CB . 51422 1 277 . 1 . 1 57 57 ALA N N 15 131.732 0.022 . 1 . . . . . 57 ALA N . 51422 1 278 . 1 . 1 58 58 ASP H H 1 8.061 0.003 . 1 . . . . . 58 ASP H . 51422 1 279 . 1 . 1 58 58 ASP C C 13 175.149 0.016 . 1 . . . . . 58 ASP C . 51422 1 280 . 1 . 1 58 58 ASP CA C 13 49.906 0.057 . 1 . . . . . 58 ASP CA . 51422 1 281 . 1 . 1 58 58 ASP CB C 13 37.012 0.055 . 1 . . . . . 58 ASP CB . 51422 1 282 . 1 . 1 58 58 ASP N N 15 113.608 0.043 . 1 . . . . . 58 ASP N . 51422 1 283 . 1 . 1 59 59 GLY H H 1 7.507 0.004 . 1 . . . . . 59 GLY H . 51422 1 284 . 1 . 1 59 59 GLY C C 13 172.242 0.013 . 1 . . . . . 59 GLY C . 51422 1 285 . 1 . 1 59 59 GLY CA C 13 44.500 0.056 . 1 . . . . . 59 GLY CA . 51422 1 286 . 1 . 1 59 59 GLY N N 15 108.375 0.040 . 1 . . . . . 59 GLY N . 51422 1 287 . 1 . 1 60 60 ASN H H 1 7.995 0.003 . 1 . . . . . 60 ASN H . 51422 1 288 . 1 . 1 60 60 ASN C C 13 174.160 0.000 . 1 . . . . . 60 ASN C . 51422 1 289 . 1 . 1 60 60 ASN CA C 13 49.879 0.069 . 1 . . . . . 60 ASN CA . 51422 1 290 . 1 . 1 60 60 ASN CB C 13 34.970 0.052 . 1 . . . . . 60 ASN CB . 51422 1 291 . 1 . 1 60 60 ASN N N 15 118.426 0.014 . 1 . . . . . 60 ASN N . 51422 1 292 . 1 . 1 61 61 GLY H H 1 10.545 0.003 . 1 . . . . . 61 GLY H . 51422 1 293 . 1 . 1 61 61 GLY C C 13 170.575 0.005 . 1 . . . . . 61 GLY C . 51422 1 294 . 1 . 1 61 61 GLY CA C 13 42.986 0.037 . 1 . . . . . 61 GLY CA . 51422 1 295 . 1 . 1 61 61 GLY N N 15 113.396 0.102 . 1 . . . . . 61 GLY N . 51422 1 296 . 1 . 1 62 62 THR H H 1 7.603 0.001 . 1 . . . . . 62 THR H . 51422 1 297 . 1 . 1 62 62 THR C C 13 170.486 0.004 . 1 . . . . . 62 THR C . 51422 1 298 . 1 . 1 62 62 THR CA C 13 56.866 0.033 . 1 . . . . . 62 THR CA . 51422 1 299 . 1 . 1 62 62 THR CB C 13 69.311 0.018 . 1 . . . . . 62 THR CB . 51422 1 300 . 1 . 1 62 62 THR N N 15 108.984 0.022 . 1 . . . . . 62 THR N . 51422 1 301 . 1 . 1 63 63 ILE H H 1 8.839 0.004 . 1 . . . . . 63 ILE H . 51422 1 302 . 1 . 1 63 63 ILE C C 13 172.861 0.012 . 1 . . . . . 63 ILE C . 51422 1 303 . 1 . 1 63 63 ILE CA C 13 57.378 0.059 . 1 . . . . . 63 ILE CA . 51422 1 304 . 1 . 1 63 63 ILE CB C 13 37.127 0.000 . 1 . . . . . 63 ILE CB . 51422 1 305 . 1 . 1 63 63 ILE N N 15 123.679 0.042 . 1 . . . . . 63 ILE N . 51422 1 306 . 1 . 1 64 64 ASP H H 1 8.728 0.006 . 1 . . . . . 64 ASP H . 51422 1 307 . 1 . 1 64 64 ASP C C 13 173.615 0.004 . 1 . . . . . 64 ASP C . 51422 1 308 . 1 . 1 64 64 ASP CA C 13 49.449 0.095 . 1 . . . . . 64 ASP CA . 51422 1 309 . 1 . 1 64 64 ASP CB C 13 39.341 0.134 . 1 . . . . . 64 ASP CB . 51422 1 310 . 1 . 1 64 64 ASP N N 15 128.093 0.027 . 1 . . . . . 64 ASP N . 51422 1 311 . 1 . 1 65 65 PHE H H 1 8.859 0.003 . 1 . . . . . 65 PHE H . 51422 1 312 . 1 . 1 65 65 PHE C C 13 170.772 0.000 . 1 . . . . . 65 PHE C . 51422 1 313 . 1 . 1 65 65 PHE CA C 13 60.906 0.040 . 1 . . . . . 65 PHE CA . 51422 1 314 . 1 . 1 65 65 PHE N N 15 118.624 0.017 . 1 . . . . . 65 PHE N . 51422 1 315 . 1 . 1 66 66 PRO C C 13 177.402 0.000 . 1 . . . . . 66 PRO C . 51422 1 316 . 1 . 1 66 66 PRO CA C 13 63.966 0.021 . 1 . . . . . 66 PRO CA . 51422 1 317 . 1 . 1 66 66 PRO CB C 13 27.998 0.000 . 1 . . . . . 66 PRO CB . 51422 1 318 . 1 . 1 67 67 GLU H H 1 7.902 0.004 . 1 . . . . . 67 GLU H . 51422 1 319 . 1 . 1 67 67 GLU C C 13 176.108 0.015 . 1 . . . . . 67 GLU C . 51422 1 320 . 1 . 1 67 67 GLU CA C 13 56.036 0.032 . 1 . . . . . 67 GLU CA . 51422 1 321 . 1 . 1 67 67 GLU CB C 13 26.872 0.030 . 1 . . . . . 67 GLU CB . 51422 1 322 . 1 . 1 67 67 GLU N N 15 117.694 0.064 . 1 . . . . . 67 GLU N . 51422 1 323 . 1 . 1 68 68 PHE H H 1 8.800 0.003 . 1 . . . . . 68 PHE H . 51422 1 324 . 1 . 1 68 68 PHE C C 13 174.429 0.001 . 1 . . . . . 68 PHE C . 51422 1 325 . 1 . 1 68 68 PHE CA C 13 58.533 0.037 . 1 . . . . . 68 PHE CA . 51422 1 326 . 1 . 1 68 68 PHE CB C 13 37.242 0.086 . 1 . . . . . 68 PHE CB . 51422 1 327 . 1 . 1 68 68 PHE N N 15 123.628 0.029 . 1 . . . . . 68 PHE N . 51422 1 328 . 1 . 1 69 69 LEU H H 1 8.285 0.004 . 1 . . . . . 69 LEU H . 51422 1 329 . 1 . 1 69 69 LEU C C 13 176.555 0.000 . 1 . . . . . 69 LEU C . 51422 1 330 . 1 . 1 69 69 LEU CA C 13 55.250 0.086 . 1 . . . . . 69 LEU CA . 51422 1 331 . 1 . 1 69 69 LEU CB C 13 38.132 0.099 . 1 . . . . . 69 LEU CB . 51422 1 332 . 1 . 1 69 69 LEU N N 15 118.847 0.035 . 1 . . . . . 69 LEU N . 51422 1 333 . 1 . 1 70 70 THR H H 1 7.448 0.004 . 1 . . . . . 70 THR H . 51422 1 334 . 1 . 1 70 70 THR C C 13 173.405 0.000 . 1 . . . . . 70 THR C . 51422 1 335 . 1 . 1 70 70 THR CA C 13 63.843 0.050 . 1 . . . . . 70 THR CA . 51422 1 336 . 1 . 1 70 70 THR CB C 13 65.544 0.012 . 1 . . . . . 70 THR CB . 51422 1 337 . 1 . 1 70 70 THR N N 15 115.716 0.025 . 1 . . . . . 70 THR N . 51422 1 338 . 1 . 1 71 71 MET H H 1 7.733 0.003 . 1 . . . . . 71 MET H . 51422 1 339 . 1 . 1 71 71 MET C C 13 175.528 0.001 . 1 . . . . . 71 MET C . 51422 1 340 . 1 . 1 71 71 MET CA C 13 56.309 0.038 . 1 . . . . . 71 MET CA . 51422 1 341 . 1 . 1 71 71 MET CB C 13 30.663 0.079 . 1 . . . . . 71 MET CB . 51422 1 342 . 1 . 1 71 71 MET N N 15 121.807 0.030 . 1 . . . . . 71 MET N . 51422 1 343 . 1 . 1 72 72 MET H H 1 8.032 0.003 . 1 . . . . . 72 MET H . 51422 1 344 . 1 . 1 72 72 MET C C 13 175.946 0.000 . 1 . . . . . 72 MET C . 51422 1 345 . 1 . 1 72 72 MET CA C 13 53.038 0.011 . 1 . . . . . 72 MET CA . 51422 1 346 . 1 . 1 72 72 MET CB C 13 28.188 0.073 . 1 . . . . . 72 MET CB . 51422 1 347 . 1 . 1 72 72 MET N N 15 116.760 0.047 . 1 . . . . . 72 MET N . 51422 1 348 . 1 . 1 73 73 ALA H H 1 8.146 0.003 . 1 . . . . . 73 ALA H . 51422 1 349 . 1 . 1 73 73 ALA C C 13 177.070 0.004 . 1 . . . . . 73 ALA C . 51422 1 350 . 1 . 1 73 73 ALA CA C 13 51.839 0.076 . 1 . . . . . 73 ALA CA . 51422 1 351 . 1 . 1 73 73 ALA CB C 13 15.286 0.013 . 1 . . . . . 73 ALA CB . 51422 1 352 . 1 . 1 73 73 ALA N N 15 122.338 0.056 . 1 . . . . . 73 ALA N . 51422 1 353 . 1 . 1 74 74 ARG H H 1 7.491 0.003 . 1 . . . . . 74 ARG H . 51422 1 354 . 1 . 1 74 74 ARG C C 13 175.026 0.000 . 1 . . . . . 74 ARG C . 51422 1 355 . 1 . 1 74 74 ARG CA C 13 55.515 0.044 . 1 . . . . . 74 ARG CA . 51422 1 356 . 1 . 1 74 74 ARG CB C 13 27.456 0.052 . 1 . . . . . 74 ARG CB . 51422 1 357 . 1 . 1 74 74 ARG N N 15 116.747 0.051 . 1 . . . . . 74 ARG N . 51422 1 358 . 1 . 1 75 75 LYS H H 1 7.538 0.003 . 1 . . . . . 75 LYS H . 51422 1 359 . 1 . 1 75 75 LYS C C 13 174.934 0.015 . 1 . . . . . 75 LYS C . 51422 1 360 . 1 . 1 75 75 LYS CA C 13 54.556 0.083 . 1 . . . . . 75 LYS CA . 51422 1 361 . 1 . 1 75 75 LYS CB C 13 29.776 0.096 . 1 . . . . . 75 LYS CB . 51422 1 362 . 1 . 1 75 75 LYS N N 15 118.569 0.020 . 1 . . . . . 75 LYS N . 51422 1 363 . 1 . 1 76 76 MET H H 1 7.768 0.003 . 1 . . . . . 76 MET H . 51422 1 364 . 1 . 1 76 76 MET C C 13 173.784 0.002 . 1 . . . . . 76 MET C . 51422 1 365 . 1 . 1 76 76 MET CA C 13 53.837 0.072 . 1 . . . . . 76 MET CA . 51422 1 366 . 1 . 1 76 76 MET CB C 13 30.164 0.060 . 1 . . . . . 76 MET CB . 51422 1 367 . 1 . 1 76 76 MET N N 15 118.694 0.033 . 1 . . . . . 76 MET N . 51422 1 368 . 1 . 1 77 77 LYS H H 1 7.817 0.003 . 1 . . . . . 77 LYS H . 51422 1 369 . 1 . 1 77 77 LYS C C 13 173.798 0.009 . 1 . . . . . 77 LYS C . 51422 1 370 . 1 . 1 77 77 LYS CA C 13 53.932 0.051 . 1 . . . . . 77 LYS CA . 51422 1 371 . 1 . 1 77 77 LYS CB C 13 30.146 0.115 . 1 . . . . . 77 LYS CB . 51422 1 372 . 1 . 1 77 77 LYS N N 15 120.603 0.017 . 1 . . . . . 77 LYS N . 51422 1 373 . 1 . 1 78 78 ASP H H 1 8.227 0.003 . 1 . . . . . 78 ASP H . 51422 1 374 . 1 . 1 78 78 ASP C C 13 173.936 0.026 . 1 . . . . . 78 ASP C . 51422 1 375 . 1 . 1 78 78 ASP CA C 13 51.918 0.023 . 1 . . . . . 78 ASP CA . 51422 1 376 . 1 . 1 78 78 ASP CB C 13 38.261 0.036 . 1 . . . . . 78 ASP CB . 51422 1 377 . 1 . 1 78 78 ASP N N 15 121.687 0.021 . 1 . . . . . 78 ASP N . 51422 1 378 . 1 . 1 79 79 THR H H 1 8.040 0.003 . 1 . . . . . 79 THR H . 51422 1 379 . 1 . 1 79 79 THR C C 13 171.822 0.016 . 1 . . . . . 79 THR C . 51422 1 380 . 1 . 1 79 79 THR CA C 13 59.582 0.044 . 1 . . . . . 79 THR CA . 51422 1 381 . 1 . 1 79 79 THR CB C 13 67.066 0.043 . 1 . . . . . 79 THR CB . 51422 1 382 . 1 . 1 79 79 THR N N 15 114.705 0.021 . 1 . . . . . 79 THR N . 51422 1 383 . 1 . 1 80 80 ASP H H 1 8.387 0.002 . 1 . . . . . 80 ASP H . 51422 1 384 . 1 . 1 80 80 ASP C C 13 174.031 0.001 . 1 . . . . . 80 ASP C . 51422 1 385 . 1 . 1 80 80 ASP CA C 13 51.940 0.041 . 1 . . . . . 80 ASP CA . 51422 1 386 . 1 . 1 80 80 ASP CB C 13 38.465 0.038 . 1 . . . . . 80 ASP CB . 51422 1 387 . 1 . 1 80 80 ASP N N 15 123.225 0.026 . 1 . . . . . 80 ASP N . 51422 1 388 . 1 . 1 81 81 SER H H 1 8.363 0.004 . 1 . . . . . 81 SER H . 51422 1 389 . 1 . 1 81 81 SER C C 13 172.707 0.000 . 1 . . . . . 81 SER C . 51422 1 390 . 1 . 1 81 81 SER CA C 13 56.485 0.060 . 1 . . . . . 81 SER CA . 51422 1 391 . 1 . 1 81 81 SER CB C 13 61.267 0.033 . 1 . . . . . 81 SER CB . 51422 1 392 . 1 . 1 81 81 SER N N 15 117.152 0.081 . 1 . . . . . 81 SER N . 51422 1 393 . 1 . 1 82 82 GLU H H 1 8.466 0.002 . 1 . . . . . 82 GLU H . 51422 1 394 . 1 . 1 82 82 GLU C C 13 175.234 0.005 . 1 . . . . . 82 GLU C . 51422 1 395 . 1 . 1 82 82 GLU CA C 13 56.056 0.025 . 1 . . . . . 82 GLU CA . 51422 1 396 . 1 . 1 82 82 GLU CB C 13 26.766 0.105 . 1 . . . . . 82 GLU CB . 51422 1 397 . 1 . 1 82 82 GLU N N 15 122.599 0.017 . 1 . . . . . 82 GLU N . 51422 1 398 . 1 . 1 83 83 GLU H H 1 8.269 0.002 . 1 . . . . . 83 GLU H . 51422 1 399 . 1 . 1 83 83 GLU C C 13 176.024 0.019 . 1 . . . . . 83 GLU C . 51422 1 400 . 1 . 1 83 83 GLU CA C 13 56.846 0.024 . 1 . . . . . 83 GLU CA . 51422 1 401 . 1 . 1 83 83 GLU N N 15 119.446 0.035 . 1 . . . . . 83 GLU N . 51422 1 402 . 1 . 1 84 84 GLU H H 1 8.069 0.002 . 1 . . . . . 84 GLU H . 51422 1 403 . 1 . 1 84 84 GLU C C 13 177.015 0.007 . 1 . . . . . 84 GLU C . 51422 1 404 . 1 . 1 84 84 GLU CA C 13 56.653 0.042 . 1 . . . . . 84 GLU CA . 51422 1 405 . 1 . 1 84 84 GLU CB C 13 26.701 0.125 . 1 . . . . . 84 GLU CB . 51422 1 406 . 1 . 1 84 84 GLU N N 15 118.864 0.041 . 1 . . . . . 84 GLU N . 51422 1 407 . 1 . 1 85 85 ILE H H 1 7.987 0.002 . 1 . . . . . 85 ILE H . 51422 1 408 . 1 . 1 85 85 ILE C C 13 175.200 0.004 . 1 . . . . . 85 ILE C . 51422 1 409 . 1 . 1 85 85 ILE CA C 13 61.987 0.041 . 1 . . . . . 85 ILE CA . 51422 1 410 . 1 . 1 85 85 ILE CB C 13 34.597 0.058 . 1 . . . . . 85 ILE CB . 51422 1 411 . 1 . 1 85 85 ILE N N 15 122.246 0.040 . 1 . . . . . 85 ILE N . 51422 1 412 . 1 . 1 86 86 ARG H H 1 8.358 0.003 . 1 . . . . . 86 ARG H . 51422 1 413 . 1 . 1 86 86 ARG C C 13 176.673 0.017 . 1 . . . . . 86 ARG C . 51422 1 414 . 1 . 1 86 86 ARG CA C 13 57.365 0.119 . 1 . . . . . 86 ARG CA . 51422 1 415 . 1 . 1 86 86 ARG CB C 13 27.037 0.064 . 1 . . . . . 86 ARG CB . 51422 1 416 . 1 . 1 86 86 ARG N N 15 121.757 0.030 . 1 . . . . . 86 ARG N . 51422 1 417 . 1 . 1 87 87 GLU H H 1 8.037 0.003 . 1 . . . . . 87 GLU H . 51422 1 418 . 1 . 1 87 87 GLU C C 13 175.799 0.004 . 1 . . . . . 87 GLU C . 51422 1 419 . 1 . 1 87 87 GLU CA C 13 56.216 0.036 . 1 . . . . . 87 GLU CA . 51422 1 420 . 1 . 1 87 87 GLU CB C 13 26.594 0.035 . 1 . . . . . 87 GLU CB . 51422 1 421 . 1 . 1 87 87 GLU N N 15 118.754 0.045 . 1 . . . . . 87 GLU N . 51422 1 422 . 1 . 1 88 88 ALA H H 1 7.901 0.002 . 1 . . . . . 88 ALA H . 51422 1 423 . 1 . 1 88 88 ALA C C 13 176.567 0.007 . 1 . . . . . 88 ALA C . 51422 1 424 . 1 . 1 88 88 ALA CA C 13 52.388 0.038 . 1 . . . . . 88 ALA CA . 51422 1 425 . 1 . 1 88 88 ALA CB C 13 14.917 0.013 . 1 . . . . . 88 ALA CB . 51422 1 426 . 1 . 1 88 88 ALA N N 15 122.126 0.046 . 1 . . . . . 88 ALA N . 51422 1 427 . 1 . 1 89 89 PHE H H 1 8.503 0.002 . 1 . . . . . 89 PHE H . 51422 1 428 . 1 . 1 89 89 PHE C C 13 173.688 0.019 . 1 . . . . . 89 PHE C . 51422 1 429 . 1 . 1 89 89 PHE CA C 13 59.502 0.080 . 1 . . . . . 89 PHE CA . 51422 1 430 . 1 . 1 89 89 PHE CB C 13 36.233 0.031 . 1 . . . . . 89 PHE CB . 51422 1 431 . 1 . 1 89 89 PHE N N 15 118.866 0.035 . 1 . . . . . 89 PHE N . 51422 1 432 . 1 . 1 90 90 ARG H H 1 7.600 0.002 . 1 . . . . . 90 ARG H . 51422 1 433 . 1 . 1 90 90 ARG C C 13 175.592 0.013 . 1 . . . . . 90 ARG C . 51422 1 434 . 1 . 1 90 90 ARG CA C 13 56.170 0.058 . 1 . . . . . 90 ARG CA . 51422 1 435 . 1 . 1 90 90 ARG CB C 13 27.480 0.025 . 1 . . . . . 90 ARG CB . 51422 1 436 . 1 . 1 90 90 ARG N N 15 115.663 0.011 . 1 . . . . . 90 ARG N . 51422 1 437 . 1 . 1 91 91 VAL H H 1 7.503 0.003 . 1 . . . . . 91 VAL H . 51422 1 438 . 1 . 1 91 91 VAL C C 13 174.851 0.021 . 1 . . . . . 91 VAL C . 51422 1 439 . 1 . 1 91 91 VAL CA C 13 62.964 0.041 . 1 . . . . . 91 VAL CA . 51422 1 440 . 1 . 1 91 91 VAL CB C 13 28.850 0.041 . 1 . . . . . 91 VAL CB . 51422 1 441 . 1 . 1 91 91 VAL N N 15 118.394 0.059 . 1 . . . . . 91 VAL N . 51422 1 442 . 1 . 1 92 92 PHE H H 1 7.546 0.004 . 1 . . . . . 92 PHE H . 51422 1 443 . 1 . 1 92 92 PHE C C 13 174.452 0.000 . 1 . . . . . 92 PHE C . 51422 1 444 . 1 . 1 92 92 PHE CA C 13 57.293 0.054 . 1 . . . . . 92 PHE CA . 51422 1 445 . 1 . 1 92 92 PHE CB C 13 37.435 0.049 . 1 . . . . . 92 PHE CB . 51422 1 446 . 1 . 1 92 92 PHE N N 15 116.722 0.048 . 1 . . . . . 92 PHE N . 51422 1 447 . 1 . 1 93 93 ASP H H 1 7.793 0.003 . 1 . . . . . 93 ASP H . 51422 1 448 . 1 . 1 93 93 ASP C C 13 174.786 0.003 . 1 . . . . . 93 ASP C . 51422 1 449 . 1 . 1 93 93 ASP CA C 13 49.599 0.082 . 1 . . . . . 93 ASP CA . 51422 1 450 . 1 . 1 93 93 ASP CB C 13 35.445 0.040 . 1 . . . . . 93 ASP CB . 51422 1 451 . 1 . 1 93 93 ASP N N 15 117.131 0.024 . 1 . . . . . 93 ASP N . 51422 1 452 . 1 . 1 94 94 LYS H H 1 7.648 0.002 . 1 . . . . . 94 LYS H . 51422 1 453 . 1 . 1 94 94 LYS C C 13 175.573 0.001 . 1 . . . . . 94 LYS C . 51422 1 454 . 1 . 1 94 94 LYS CA C 13 56.413 0.053 . 1 . . . . . 94 LYS CA . 51422 1 455 . 1 . 1 94 94 LYS CB C 13 29.965 0.067 . 1 . . . . . 94 LYS CB . 51422 1 456 . 1 . 1 94 94 LYS N N 15 125.882 0.021 . 1 . . . . . 94 LYS N . 51422 1 457 . 1 . 1 95 95 ASP H H 1 8.100 0.002 . 1 . . . . . 95 ASP H . 51422 1 458 . 1 . 1 95 95 ASP C C 13 174.996 0.002 . 1 . . . . . 95 ASP C . 51422 1 459 . 1 . 1 95 95 ASP CA C 13 50.303 0.051 . 1 . . . . . 95 ASP CA . 51422 1 460 . 1 . 1 95 95 ASP CB C 13 36.826 0.018 . 1 . . . . . 95 ASP CB . 51422 1 461 . 1 . 1 95 95 ASP N N 15 113.949 0.053 . 1 . . . . . 95 ASP N . 51422 1 462 . 1 . 1 96 96 GLY H H 1 7.716 0.002 . 1 . . . . . 96 GLY H . 51422 1 463 . 1 . 1 96 96 GLY C C 13 172.387 0.012 . 1 . . . . . 96 GLY C . 51422 1 464 . 1 . 1 96 96 GLY CA C 13 44.421 0.029 . 1 . . . . . 96 GLY CA . 51422 1 465 . 1 . 1 96 96 GLY N N 15 109.289 0.023 . 1 . . . . . 96 GLY N . 51422 1 466 . 1 . 1 97 97 ASN H H 1 8.234 0.003 . 1 . . . . . 97 ASN H . 51422 1 467 . 1 . 1 97 97 ASN C C 13 173.375 0.001 . 1 . . . . . 97 ASN C . 51422 1 468 . 1 . 1 97 97 ASN CA C 13 50.001 0.091 . 1 . . . . . 97 ASN CA . 51422 1 469 . 1 . 1 97 97 ASN CB C 13 35.376 0.047 . 1 . . . . . 97 ASN CB . 51422 1 470 . 1 . 1 97 97 ASN N N 15 119.444 0.010 . 1 . . . . . 97 ASN N . 51422 1 471 . 1 . 1 98 98 GLY H H 1 10.573 0.004 . 1 . . . . . 98 GLY H . 51422 1 472 . 1 . 1 98 98 GLY C C 13 169.633 0.027 . 1 . . . . . 98 GLY C . 51422 1 473 . 1 . 1 98 98 GLY CA C 13 42.412 0.031 . 1 . . . . . 98 GLY CA . 51422 1 474 . 1 . 1 98 98 GLY N N 15 113.100 0.122 . 1 . . . . . 98 GLY N . 51422 1 475 . 1 . 1 99 99 TYR H H 1 7.530 0.002 . 1 . . . . . 99 TYR H . 51422 1 476 . 1 . 1 99 99 TYR C C 13 171.788 0.014 . 1 . . . . . 99 TYR C . 51422 1 477 . 1 . 1 99 99 TYR CA C 13 53.350 0.021 . 1 . . . . . 99 TYR CA . 51422 1 478 . 1 . 1 99 99 TYR CB C 13 40.524 0.054 . 1 . . . . . 99 TYR CB . 51422 1 479 . 1 . 1 99 99 TYR N N 15 115.714 0.048 . 1 . . . . . 99 TYR N . 51422 1 480 . 1 . 1 100 100 ILE H H 1 10.058 0.004 . 1 . . . . . 100 ILE H . 51422 1 481 . 1 . 1 100 100 ILE C C 13 172.834 0.004 . 1 . . . . . 100 ILE C . 51422 1 482 . 1 . 1 100 100 ILE CA C 13 57.469 0.050 . 1 . . . . . 100 ILE CA . 51422 1 483 . 1 . 1 100 100 ILE CB C 13 35.827 0.000 . 1 . . . . . 100 ILE CB . 51422 1 484 . 1 . 1 100 100 ILE N N 15 127.264 0.074 . 1 . . . . . 100 ILE N . 51422 1 485 . 1 . 1 101 101 SER H H 1 8.872 0.003 . 1 . . . . . 101 SER H . 51422 1 486 . 1 . 1 101 101 SER C C 13 172.541 0.018 . 1 . . . . . 101 SER C . 51422 1 487 . 1 . 1 101 101 SER CA C 13 53.133 0.028 . 1 . . . . . 101 SER CA . 51422 1 488 . 1 . 1 101 101 SER CB C 13 63.941 0.029 . 1 . . . . . 101 SER CB . 51422 1 489 . 1 . 1 101 101 SER N N 15 123.748 0.034 . 1 . . . . . 101 SER N . 51422 1 490 . 1 . 1 102 102 ALA H H 1 9.130 0.003 . 1 . . . . . 102 ALA H . 51422 1 491 . 1 . 1 102 102 ALA C C 13 176.614 0.009 . 1 . . . . . 102 ALA C . 51422 1 492 . 1 . 1 102 102 ALA CA C 13 53.314 0.091 . 1 . . . . . 102 ALA CA . 51422 1 493 . 1 . 1 102 102 ALA CB C 13 15.219 0.025 . 1 . . . . . 102 ALA CB . 51422 1 494 . 1 . 1 102 102 ALA N N 15 122.911 0.012 . 1 . . . . . 102 ALA N . 51422 1 495 . 1 . 1 103 103 ALA H H 1 8.185 0.002 . 1 . . . . . 103 ALA H . 51422 1 496 . 1 . 1 103 103 ALA C C 13 178.706 0.023 . 1 . . . . . 103 ALA C . 51422 1 497 . 1 . 1 103 103 ALA CA C 13 52.476 0.045 . 1 . . . . . 103 ALA CA . 51422 1 498 . 1 . 1 103 103 ALA CB C 13 15.632 0.085 . 1 . . . . . 103 ALA CB . 51422 1 499 . 1 . 1 103 103 ALA N N 15 118.335 0.024 . 1 . . . . . 103 ALA N . 51422 1 500 . 1 . 1 104 104 GLU H H 1 7.796 0.003 . 1 . . . . . 104 GLU H . 51422 1 501 . 1 . 1 104 104 GLU C C 13 176.671 0.007 . 1 . . . . . 104 GLU C . 51422 1 502 . 1 . 1 104 104 GLU CA C 13 56.501 0.054 . 1 . . . . . 104 GLU CA . 51422 1 503 . 1 . 1 104 104 GLU CB C 13 26.466 0.097 . 1 . . . . . 104 GLU CB . 51422 1 504 . 1 . 1 104 104 GLU N N 15 119.641 0.083 . 1 . . . . . 104 GLU N . 51422 1 505 . 1 . 1 105 105 LEU H H 1 8.549 0.003 . 1 . . . . . 105 LEU H . 51422 1 506 . 1 . 1 105 105 LEU C C 13 175.774 0.005 . 1 . . . . . 105 LEU C . 51422 1 507 . 1 . 1 105 105 LEU CA C 13 55.435 0.054 . 1 . . . . . 105 LEU CA . 51422 1 508 . 1 . 1 105 105 LEU CB C 13 39.361 0.093 . 1 . . . . . 105 LEU CB . 51422 1 509 . 1 . 1 105 105 LEU N N 15 121.280 0.026 . 1 . . . . . 105 LEU N . 51422 1 510 . 1 . 1 106 106 ARG H H 1 8.458 0.003 . 1 . . . . . 106 ARG H . 51422 1 511 . 1 . 1 106 106 ARG C C 13 175.885 0.001 . 1 . . . . . 106 ARG C . 51422 1 512 . 1 . 1 106 106 ARG CA C 13 57.098 0.050 . 1 . . . . . 106 ARG CA . 51422 1 513 . 1 . 1 106 106 ARG CB C 13 27.802 0.000 . 1 . . . . . 106 ARG CB . 51422 1 514 . 1 . 1 106 106 ARG N N 15 117.514 0.030 . 1 . . . . . 106 ARG N . 51422 1 515 . 1 . 1 107 107 HIS H H 1 7.784 0.003 . 1 . . . . . 107 HIS H . 51422 1 516 . 1 . 1 107 107 HIS C C 13 174.671 0.005 . 1 . . . . . 107 HIS C . 51422 1 517 . 1 . 1 107 107 HIS CA C 13 56.896 0.066 . 1 . . . . . 107 HIS CA . 51422 1 518 . 1 . 1 107 107 HIS CB C 13 27.822 0.026 . 1 . . . . . 107 HIS CB . 51422 1 519 . 1 . 1 107 107 HIS N N 15 118.612 0.061 . 1 . . . . . 107 HIS N . 51422 1 520 . 1 . 1 108 108 VAL H H 1 7.778 0.004 . 1 . . . . . 108 VAL H . 51422 1 521 . 1 . 1 108 108 VAL C C 13 175.248 0.000 . 1 . . . . . 108 VAL C . 51422 1 522 . 1 . 1 108 108 VAL CA C 13 63.167 0.084 . 1 . . . . . 108 VAL CA . 51422 1 523 . 1 . 1 108 108 VAL CB C 13 28.873 0.000 . 1 . . . . . 108 VAL CB . 51422 1 524 . 1 . 1 108 108 VAL N N 15 118.615 0.044 . 1 . . . . . 108 VAL N . 51422 1 525 . 1 . 1 109 109 MET H H 1 8.159 0.004 . 1 . . . . . 109 MET H . 51422 1 526 . 1 . 1 109 109 MET C C 13 175.772 0.003 . 1 . . . . . 109 MET C . 51422 1 527 . 1 . 1 109 109 MET CA C 13 54.641 0.045 . 1 . . . . . 109 MET CA . 51422 1 528 . 1 . 1 109 109 MET CB C 13 28.680 0.000 . 1 . . . . . 109 MET CB . 51422 1 529 . 1 . 1 109 109 MET N N 15 116.728 0.043 . 1 . . . . . 109 MET N . 51422 1 530 . 1 . 1 110 110 THR H H 1 8.075 0.004 . 1 . . . . . 110 THR H . 51422 1 531 . 1 . 1 110 110 THR C C 13 174.654 0.000 . 1 . . . . . 110 THR C . 51422 1 532 . 1 . 1 110 110 THR CA C 13 62.749 0.058 . 1 . . . . . 110 THR CA . 51422 1 533 . 1 . 1 110 110 THR CB C 13 66.352 0.000 . 1 . . . . . 110 THR CB . 51422 1 534 . 1 . 1 110 110 THR N N 15 114.699 0.041 . 1 . . . . . 110 THR N . 51422 1 535 . 1 . 1 111 111 ASN H H 1 7.889 0.002 . 1 . . . . . 111 ASN H . 51422 1 536 . 1 . 1 111 111 ASN C C 13 173.624 0.011 . 1 . . . . . 111 ASN C . 51422 1 537 . 1 . 1 111 111 ASN CA C 13 52.806 0.051 . 1 . . . . . 111 ASN CA . 51422 1 538 . 1 . 1 111 111 ASN CB C 13 35.790 0.006 . 1 . . . . . 111 ASN CB . 51422 1 539 . 1 . 1 111 111 ASN N N 15 122.031 0.019 . 1 . . . . . 111 ASN N . 51422 1 540 . 1 . 1 112 112 LEU H H 1 7.858 0.003 . 1 . . . . . 112 LEU H . 51422 1 541 . 1 . 1 112 112 LEU C C 13 174.731 0.000 . 1 . . . . . 112 LEU C . 51422 1 542 . 1 . 1 112 112 LEU CA C 13 52.685 0.114 . 1 . . . . . 112 LEU CA . 51422 1 543 . 1 . 1 112 112 LEU CB C 13 39.387 0.000 . 1 . . . . . 112 LEU CB . 51422 1 544 . 1 . 1 112 112 LEU N N 15 119.231 0.095 . 1 . . . . . 112 LEU N . 51422 1 545 . 1 . 1 113 113 GLY H H 1 7.819 0.003 . 1 . . . . . 113 GLY H . 51422 1 546 . 1 . 1 113 113 GLY C C 13 171.654 0.000 . 1 . . . . . 113 GLY C . 51422 1 547 . 1 . 1 113 113 GLY CA C 13 42.749 0.043 . 1 . . . . . 113 GLY CA . 51422 1 548 . 1 . 1 113 113 GLY N N 15 106.980 0.039 . 1 . . . . . 113 GLY N . 51422 1 549 . 1 . 1 114 114 GLU H H 1 7.839 0.003 . 1 . . . . . 114 GLU H . 51422 1 550 . 1 . 1 114 114 GLU C C 13 172.930 0.002 . 1 . . . . . 114 GLU C . 51422 1 551 . 1 . 1 114 114 GLU CA C 13 52.695 0.017 . 1 . . . . . 114 GLU CA . 51422 1 552 . 1 . 1 114 114 GLU CB C 13 27.832 0.060 . 1 . . . . . 114 GLU CB . 51422 1 553 . 1 . 1 114 114 GLU N N 15 120.289 0.020 . 1 . . . . . 114 GLU N . 51422 1 554 . 1 . 1 115 115 LYS H H 1 8.508 0.002 . 1 . . . . . 115 LYS H . 51422 1 555 . 1 . 1 115 115 LYS C C 13 172.998 0.017 . 1 . . . . . 115 LYS C . 51422 1 556 . 1 . 1 115 115 LYS CA C 13 52.973 0.049 . 1 . . . . . 115 LYS CA . 51422 1 557 . 1 . 1 115 115 LYS CB C 13 29.462 0.068 . 1 . . . . . 115 LYS CB . 51422 1 558 . 1 . 1 115 115 LYS N N 15 123.690 0.017 . 1 . . . . . 115 LYS N . 51422 1 559 . 1 . 1 116 116 LEU H H 1 8.050 0.003 . 1 . . . . . 116 LEU H . 51422 1 560 . 1 . 1 116 116 LEU C C 13 175.350 0.007 . 1 . . . . . 116 LEU C . 51422 1 561 . 1 . 1 116 116 LEU CA C 13 51.470 0.038 . 1 . . . . . 116 LEU CA . 51422 1 562 . 1 . 1 116 116 LEU CB C 13 41.961 0.090 . 1 . . . . . 116 LEU CB . 51422 1 563 . 1 . 1 116 116 LEU N N 15 124.667 0.025 . 1 . . . . . 116 LEU N . 51422 1 564 . 1 . 1 117 117 THR H H 1 9.138 0.004 . 1 . . . . . 117 THR H . 51422 1 565 . 1 . 1 117 117 THR C C 13 172.780 0.002 . 1 . . . . . 117 THR C . 51422 1 566 . 1 . 1 117 117 THR CA C 13 58.035 0.033 . 1 . . . . . 117 THR CA . 51422 1 567 . 1 . 1 117 117 THR CB C 13 68.556 0.051 . 1 . . . . . 117 THR CB . 51422 1 568 . 1 . 1 117 117 THR N N 15 114.670 0.020 . 1 . . . . . 117 THR N . 51422 1 569 . 1 . 1 118 118 ASP H H 1 8.834 0.002 . 1 . . . . . 118 ASP H . 51422 1 570 . 1 . 1 118 118 ASP C C 13 175.890 0.007 . 1 . . . . . 118 ASP C . 51422 1 571 . 1 . 1 118 118 ASP CA C 13 55.323 0.042 . 1 . . . . . 118 ASP CA . 51422 1 572 . 1 . 1 118 118 ASP CB C 13 36.937 0.063 . 1 . . . . . 118 ASP CB . 51422 1 573 . 1 . 1 118 118 ASP N N 15 121.037 0.029 . 1 . . . . . 118 ASP N . 51422 1 574 . 1 . 1 119 119 GLU H H 1 8.623 0.002 . 1 . . . . . 119 GLU H . 51422 1 575 . 1 . 1 119 119 GLU C C 13 176.532 0.008 . 1 . . . . . 119 GLU C . 51422 1 576 . 1 . 1 119 119 GLU CA C 13 57.319 0.023 . 1 . . . . . 119 GLU CA . 51422 1 577 . 1 . 1 119 119 GLU CB C 13 26.272 0.024 . 1 . . . . . 119 GLU CB . 51422 1 578 . 1 . 1 119 119 GLU N N 15 119.107 0.028 . 1 . . . . . 119 GLU N . 51422 1 579 . 1 . 1 120 120 GLU H H 1 7.701 0.004 . 1 . . . . . 120 GLU H . 51422 1 580 . 1 . 1 120 120 GLU C C 13 177.442 0.022 . 1 . . . . . 120 GLU C . 51422 1 581 . 1 . 1 120 120 GLU CA C 13 56.550 0.057 . 1 . . . . . 120 GLU CA . 51422 1 582 . 1 . 1 120 120 GLU CB C 13 27.623 0.024 . 1 . . . . . 120 GLU CB . 51422 1 583 . 1 . 1 120 120 GLU N N 15 120.598 0.056 . 1 . . . . . 120 GLU N . 51422 1 584 . 1 . 1 121 121 VAL H H 1 8.035 0.002 . 1 . . . . . 121 VAL H . 51422 1 585 . 1 . 1 121 121 VAL C C 13 174.511 0.040 . 1 . . . . . 121 VAL C . 51422 1 586 . 1 . 1 121 121 VAL CA C 13 64.280 0.008 . 1 . . . . . 121 VAL CA . 51422 1 587 . 1 . 1 121 121 VAL CB C 13 28.445 0.125 . 1 . . . . . 121 VAL CB . 51422 1 588 . 1 . 1 121 121 VAL N N 15 121.275 0.090 . 1 . . . . . 121 VAL N . 51422 1 589 . 1 . 1 122 122 ASP H H 1 7.989 0.002 . 1 . . . . . 122 ASP H . 51422 1 590 . 1 . 1 122 122 ASP C C 13 176.563 0.010 . 1 . . . . . 122 ASP C . 51422 1 591 . 1 . 1 122 122 ASP CA C 13 54.977 0.058 . 1 . . . . . 122 ASP CA . 51422 1 592 . 1 . 1 122 122 ASP CB C 13 37.667 0.031 . 1 . . . . . 122 ASP CB . 51422 1 593 . 1 . 1 122 122 ASP N N 15 119.728 0.031 . 1 . . . . . 122 ASP N . 51422 1 594 . 1 . 1 123 123 GLU H H 1 7.915 0.003 . 1 . . . . . 123 GLU H . 51422 1 595 . 1 . 1 123 123 GLU C C 13 175.173 0.008 . 1 . . . . . 123 GLU C . 51422 1 596 . 1 . 1 123 123 GLU CA C 13 56.473 0.028 . 1 . . . . . 123 GLU CA . 51422 1 597 . 1 . 1 123 123 GLU CB C 13 26.729 0.033 . 1 . . . . . 123 GLU CB . 51422 1 598 . 1 . 1 123 123 GLU N N 15 119.666 0.031 . 1 . . . . . 123 GLU N . 51422 1 599 . 1 . 1 124 124 MET H H 1 7.737 0.003 . 1 . . . . . 124 MET H . 51422 1 600 . 1 . 1 124 124 MET C C 13 176.662 0.011 . 1 . . . . . 124 MET C . 51422 1 601 . 1 . 1 124 124 MET CA C 13 56.763 0.099 . 1 . . . . . 124 MET CA . 51422 1 602 . 1 . 1 124 124 MET CB C 13 30.502 0.099 . 1 . . . . . 124 MET CB . 51422 1 603 . 1 . 1 124 124 MET N N 15 119.612 0.034 . 1 . . . . . 124 MET N . 51422 1 604 . 1 . 1 125 125 ILE H H 1 7.890 0.003 . 1 . . . . . 125 ILE H . 51422 1 605 . 1 . 1 125 125 ILE C C 13 174.306 0.004 . 1 . . . . . 125 ILE C . 51422 1 606 . 1 . 1 125 125 ILE CA C 13 61.167 0.038 . 1 . . . . . 125 ILE CA . 51422 1 607 . 1 . 1 125 125 ILE CB C 13 33.683 0.011 . 1 . . . . . 125 ILE CB . 51422 1 608 . 1 . 1 125 125 ILE N N 15 118.403 0.045 . 1 . . . . . 125 ILE N . 51422 1 609 . 1 . 1 126 126 ARG H H 1 8.091 0.003 . 1 . . . . . 126 ARG H . 51422 1 610 . 1 . 1 126 126 ARG C C 13 176.749 0.012 . 1 . . . . . 126 ARG C . 51422 1 611 . 1 . 1 126 126 ARG CA C 13 57.068 0.030 . 1 . . . . . 126 ARG CA . 51422 1 612 . 1 . 1 126 126 ARG CB C 13 27.396 0.012 . 1 . . . . . 126 ARG CB . 51422 1 613 . 1 . 1 126 126 ARG N N 15 118.433 0.066 . 1 . . . . . 126 ARG N . 51422 1 614 . 1 . 1 127 127 GLU H H 1 7.907 0.002 . 1 . . . . . 127 GLU H . 51422 1 615 . 1 . 1 127 127 GLU C C 13 174.617 0.002 . 1 . . . . . 127 GLU C . 51422 1 616 . 1 . 1 127 127 GLU CA C 13 55.830 0.046 . 1 . . . . . 127 GLU CA . 51422 1 617 . 1 . 1 127 127 GLU CB C 13 26.934 0.040 . 1 . . . . . 127 GLU CB . 51422 1 618 . 1 . 1 127 127 GLU N N 15 115.987 0.035 . 1 . . . . . 127 GLU N . 51422 1 619 . 1 . 1 128 128 ALA H H 1 7.295 0.002 . 1 . . . . . 128 ALA H . 51422 1 620 . 1 . 1 128 128 ALA C C 13 175.197 0.009 . 1 . . . . . 128 ALA C . 51422 1 621 . 1 . 1 128 128 ALA CA C 13 49.391 0.013 . 1 . . . . . 128 ALA CA . 51422 1 622 . 1 . 1 128 128 ALA CB C 13 18.369 0.053 . 1 . . . . . 128 ALA CB . 51422 1 623 . 1 . 1 128 128 ALA N N 15 118.951 0.027 . 1 . . . . . 128 ALA N . 51422 1 624 . 1 . 1 129 129 ASP H H 1 7.790 0.002 . 1 . . . . . 129 ASP H . 51422 1 625 . 1 . 1 129 129 ASP C C 13 173.403 0.006 . 1 . . . . . 129 ASP C . 51422 1 626 . 1 . 1 129 129 ASP CA C 13 51.259 0.033 . 1 . . . . . 129 ASP CA . 51422 1 627 . 1 . 1 129 129 ASP CB C 13 37.516 0.078 . 1 . . . . . 129 ASP CB . 51422 1 628 . 1 . 1 129 129 ASP N N 15 117.437 0.094 . 1 . . . . . 129 ASP N . 51422 1 629 . 1 . 1 130 130 ILE H H 1 8.289 0.003 . 1 . . . . . 130 ILE H . 51422 1 630 . 1 . 1 130 130 ILE C C 13 175.220 0.003 . 1 . . . . . 130 ILE C . 51422 1 631 . 1 . 1 130 130 ILE CA C 13 60.670 0.088 . 1 . . . . . 130 ILE CA . 51422 1 632 . 1 . 1 130 130 ILE CB C 13 35.615 0.032 . 1 . . . . . 130 ILE CB . 51422 1 633 . 1 . 1 130 130 ILE N N 15 127.787 0.027 . 1 . . . . . 130 ILE N . 51422 1 634 . 1 . 1 131 131 ASP H H 1 8.220 0.002 . 1 . . . . . 131 ASP H . 51422 1 635 . 1 . 1 131 131 ASP C C 13 175.578 0.009 . 1 . . . . . 131 ASP C . 51422 1 636 . 1 . 1 131 131 ASP CA C 13 51.047 0.070 . 1 . . . . . 131 ASP CA . 51422 1 637 . 1 . 1 131 131 ASP CB C 13 37.166 0.001 . 1 . . . . . 131 ASP CB . 51422 1 638 . 1 . 1 131 131 ASP N N 15 116.536 0.013 . 1 . . . . . 131 ASP N . 51422 1 639 . 1 . 1 132 132 GLY H H 1 7.506 0.003 . 1 . . . . . 132 GLY H . 51422 1 640 . 1 . 1 132 132 GLY C C 13 172.579 0.001 . 1 . . . . . 132 GLY C . 51422 1 641 . 1 . 1 132 132 GLY CA C 13 44.783 0.070 . 1 . . . . . 132 GLY CA . 51422 1 642 . 1 . 1 132 132 GLY N N 15 108.509 0.016 . 1 . . . . . 132 GLY N . 51422 1 643 . 1 . 1 133 133 ASP H H 1 8.262 0.002 . 1 . . . . . 133 ASP H . 51422 1 644 . 1 . 1 133 133 ASP C C 13 174.922 0.017 . 1 . . . . . 133 ASP C . 51422 1 645 . 1 . 1 133 133 ASP CA C 13 50.961 0.060 . 1 . . . . . 133 ASP CA . 51422 1 646 . 1 . 1 133 133 ASP CB C 13 37.404 0.064 . 1 . . . . . 133 ASP CB . 51422 1 647 . 1 . 1 133 133 ASP N N 15 120.778 0.023 . 1 . . . . . 133 ASP N . 51422 1 648 . 1 . 1 134 134 GLY H H 1 10.323 0.004 . 1 . . . . . 134 GLY H . 51422 1 649 . 1 . 1 134 134 GLY C C 13 170.159 0.014 . 1 . . . . . 134 GLY C . 51422 1 650 . 1 . 1 134 134 GLY CA C 13 42.979 0.044 . 1 . . . . . 134 GLY CA . 51422 1 651 . 1 . 1 134 134 GLY N N 15 112.967 0.053 . 1 . . . . . 134 GLY N . 51422 1 652 . 1 . 1 135 135 GLN H H 1 7.881 0.001 . 1 . . . . . 135 GLN H . 51422 1 653 . 1 . 1 135 135 GLN C C 13 171.911 0.014 . 1 . . . . . 135 GLN C . 51422 1 654 . 1 . 1 135 135 GLN CA C 13 50.435 0.035 . 1 . . . . . 135 GLN CA . 51422 1 655 . 1 . 1 135 135 GLN CB C 13 29.525 0.028 . 1 . . . . . 135 GLN CB . 51422 1 656 . 1 . 1 135 135 GLN N N 15 115.398 0.008 . 1 . . . . . 135 GLN N . 51422 1 657 . 1 . 1 136 136 VAL H H 1 9.070 0.003 . 1 . . . . . 136 VAL H . 51422 1 658 . 1 . 1 136 136 VAL C C 13 173.120 0.005 . 1 . . . . . 136 VAL C . 51422 1 659 . 1 . 1 136 136 VAL CA C 13 59.001 0.060 . 1 . . . . . 136 VAL CA . 51422 1 660 . 1 . 1 136 136 VAL CB C 13 30.845 0.092 . 1 . . . . . 136 VAL CB . 51422 1 661 . 1 . 1 136 136 VAL N N 15 125.323 0.026 . 1 . . . . . 136 VAL N . 51422 1 662 . 1 . 1 137 137 ASN H H 1 9.421 0.004 . 1 . . . . . 137 ASN H . 51422 1 663 . 1 . 1 137 137 ASN C C 13 172.171 0.006 . 1 . . . . . 137 ASN C . 51422 1 664 . 1 . 1 137 137 ASN CA C 13 48.410 0.025 . 1 . . . . . 137 ASN CA . 51422 1 665 . 1 . 1 137 137 ASN CB C 13 35.427 0.054 . 1 . . . . . 137 ASN CB . 51422 1 666 . 1 . 1 137 137 ASN N N 15 128.912 0.015 . 1 . . . . . 137 ASN N . 51422 1 667 . 1 . 1 138 138 TYR H H 1 8.414 0.003 . 1 . . . . . 138 TYR H . 51422 1 668 . 1 . 1 138 138 TYR C C 13 173.361 0.039 . 1 . . . . . 138 TYR C . 51422 1 669 . 1 . 1 138 138 TYR CA C 13 60.133 0.022 . 1 . . . . . 138 TYR CA . 51422 1 670 . 1 . 1 138 138 TYR CB C 13 34.866 0.023 . 1 . . . . . 138 TYR CB . 51422 1 671 . 1 . 1 138 138 TYR N N 15 118.366 0.077 . 1 . . . . . 138 TYR N . 51422 1 672 . 1 . 1 139 139 GLU H H 1 8.055 0.002 . 1 . . . . . 139 GLU H . 51422 1 673 . 1 . 1 139 139 GLU C C 13 177.972 0.015 . 1 . . . . . 139 GLU C . 51422 1 674 . 1 . 1 139 139 GLU CA C 13 57.703 0.053 . 1 . . . . . 139 GLU CA . 51422 1 675 . 1 . 1 139 139 GLU CB C 13 26.089 0.025 . 1 . . . . . 139 GLU CB . 51422 1 676 . 1 . 1 139 139 GLU N N 15 118.350 0.030 . 1 . . . . . 139 GLU N . 51422 1 677 . 1 . 1 140 140 GLU H H 1 8.700 0.002 . 1 . . . . . 140 GLU H . 51422 1 678 . 1 . 1 140 140 GLU C C 13 176.692 0.004 . 1 . . . . . 140 GLU C . 51422 1 679 . 1 . 1 140 140 GLU CA C 13 55.732 0.027 . 1 . . . . . 140 GLU CA . 51422 1 680 . 1 . 1 140 140 GLU CB C 13 27.060 0.050 . 1 . . . . . 140 GLU CB . 51422 1 681 . 1 . 1 140 140 GLU N N 15 119.806 0.022 . 1 . . . . . 140 GLU N . 51422 1 682 . 1 . 1 141 141 PHE H H 1 8.925 0.002 . 1 . . . . . 141 PHE H . 51422 1 683 . 1 . 1 141 141 PHE C C 13 174.054 0.002 . 1 . . . . . 141 PHE C . 51422 1 684 . 1 . 1 141 141 PHE CA C 13 58.864 0.031 . 1 . . . . . 141 PHE CA . 51422 1 685 . 1 . 1 141 141 PHE CB C 13 37.049 0.046 . 1 . . . . . 141 PHE CB . 51422 1 686 . 1 . 1 141 141 PHE N N 15 124.833 0.040 . 1 . . . . . 141 PHE N . 51422 1 687 . 1 . 1 142 142 VAL H H 1 8.452 0.002 . 1 . . . . . 142 VAL H . 51422 1 688 . 1 . 1 142 142 VAL C C 13 176.858 0.010 . 1 . . . . . 142 VAL C . 51422 1 689 . 1 . 1 142 142 VAL CA C 13 64.344 0.007 . 1 . . . . . 142 VAL CA . 51422 1 690 . 1 . 1 142 142 VAL CB C 13 28.920 0.000 . 1 . . . . . 142 VAL CB . 51422 1 691 . 1 . 1 142 142 VAL N N 15 119.435 0.047 . 1 . . . . . 142 VAL N . 51422 1 692 . 1 . 1 143 143 GLN H H 1 7.273 0.003 . 1 . . . . . 143 GLN H . 51422 1 693 . 1 . 1 143 143 GLN C C 13 175.198 0.003 . 1 . . . . . 143 GLN C . 51422 1 694 . 1 . 1 143 143 GLN CA C 13 56.062 0.046 . 1 . . . . . 143 GLN CA . 51422 1 695 . 1 . 1 143 143 GLN CB C 13 25.356 0.037 . 1 . . . . . 143 GLN CB . 51422 1 696 . 1 . 1 143 143 GLN N N 15 117.934 0.035 . 1 . . . . . 143 GLN N . 51422 1 697 . 1 . 1 144 144 MET H H 1 7.911 0.002 . 1 . . . . . 144 MET H . 51422 1 698 . 1 . 1 144 144 MET C C 13 175.281 0.050 . 1 . . . . . 144 MET C . 51422 1 699 . 1 . 1 144 144 MET CA C 13 55.708 0.014 . 1 . . . . . 144 MET CA . 51422 1 700 . 1 . 1 144 144 MET CB C 13 30.735 0.044 . 1 . . . . . 144 MET CB . 51422 1 701 . 1 . 1 144 144 MET N N 15 119.760 0.036 . 1 . . . . . 144 MET N . 51422 1 702 . 1 . 1 145 145 MET H H 1 7.787 0.002 . 1 . . . . . 145 MET H . 51422 1 703 . 1 . 1 145 145 MET C C 13 174.846 0.005 . 1 . . . . . 145 MET C . 51422 1 704 . 1 . 1 145 145 MET CA C 13 52.474 0.049 . 1 . . . . . 145 MET CA . 51422 1 705 . 1 . 1 145 145 MET CB C 13 29.020 0.040 . 1 . . . . . 145 MET CB . 51422 1 706 . 1 . 1 145 145 MET N N 15 114.741 0.069 . 1 . . . . . 145 MET N . 51422 1 707 . 1 . 1 146 146 THR H H 1 7.511 0.003 . 1 . . . . . 146 THR H . 51422 1 708 . 1 . 1 146 146 THR C C 13 171.535 0.035 . 1 . . . . . 146 THR C . 51422 1 709 . 1 . 1 146 146 THR CA C 13 60.037 0.057 . 1 . . . . . 146 THR CA . 51422 1 710 . 1 . 1 146 146 THR CB C 13 67.400 0.065 . 1 . . . . . 146 THR CB . 51422 1 711 . 1 . 1 146 146 THR N N 15 112.012 0.053 . 1 . . . . . 146 THR N . 51422 1 712 . 1 . 1 147 147 ALA H H 1 7.719 0.002 . 1 . . . . . 147 ALA H . 51422 1 713 . 1 . 1 147 147 ALA C C 13 173.989 0.002 . 1 . . . . . 147 ALA C . 51422 1 714 . 1 . 1 147 147 ALA CA C 13 50.167 0.027 . 1 . . . . . 147 ALA CA . 51422 1 715 . 1 . 1 147 147 ALA CB C 13 16.254 0.012 . 1 . . . . . 147 ALA CB . 51422 1 716 . 1 . 1 147 147 ALA N N 15 126.664 0.023 . 1 . . . . . 147 ALA N . 51422 1 717 . 1 . 1 148 148 LYS H H 1 7.668 0.002 . 1 . . . . . 148 LYS H . 51422 1 718 . 1 . 1 148 148 LYS C C 13 178.787 0.000 . 1 . . . . . 148 LYS C . 51422 1 719 . 1 . 1 148 148 LYS CA C 13 54.825 0.018 . 1 . . . . . 148 LYS CA . 51422 1 720 . 1 . 1 148 148 LYS CB C 13 30.895 0.000 . 1 . . . . . 148 LYS CB . 51422 1 721 . 1 . 1 148 148 LYS N N 15 125.617 0.019 . 1 . . . . . 148 LYS N . 51422 1 stop_ save_