data_34764 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34764 _Entry.Title ; Calcium-bound Calmodulin variant G113R ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-10-18 _Entry.Accession_date 2022-10-18 _Entry.Last_release_date 2022-12-01 _Entry.Original_release_date 2022-12-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 R. Wimmer R. . . . 34764 2 C. Holler C. V. . . 34764 3 N. Petersson N. M. . . 34764 4 H. Iwai H. . . . 34764 5 M. Niemelae M. A. . . 34764 6 M. Brohus M. . . . 34764 7 M. Overgaard M. T. . . 34764 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Calmodulin Ca-binding protein Ca-signalling protein' . 34764 'METAL BINDING PROTEIN' . 34764 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34764 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 271 34764 '15N chemical shifts' 68 34764 '1H chemical shifts' 420 34764 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 . . 2023-10-31 . original BMRB . 34764 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8BD2 'BMRB Entry Tracking System' 34764 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34764 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Calcium-bound Calmodulin variant G113R ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 R. Wimmer R. . . . 34764 1 2 C. Holler C. V. . . 34764 1 3 N. Petersson N. M. . . 34764 1 4 H. Iwai H. . . . 34764 1 5 M. Niemelae M. A. . . 34764 1 6 M. Brohus M. . . . 34764 1 7 M. Overgaard M. T. . . 34764 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34764 _Assembly.ID 1 _Assembly.Name 'Calmodulin G113R' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34764 1 2 unit_2 2 $entity_CA B A no . . . . . . 34764 1 3 unit_3 2 $entity_CA C A no . . . . . . 34764 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34764 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLREKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16821.492 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Only the C-lobe of Calmodulin (from Ser81 to Lys 148) was isotopically labelled, thus resonance assignment and structure were only determined for the C-lobe. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 34764 1 2 . ASP . 34764 1 3 . GLN . 34764 1 4 . LEU . 34764 1 5 . THR . 34764 1 6 . GLU . 34764 1 7 . GLU . 34764 1 8 . GLN . 34764 1 9 . ILE . 34764 1 10 . ALA . 34764 1 11 . GLU . 34764 1 12 . PHE . 34764 1 13 . LYS . 34764 1 14 . GLU . 34764 1 15 . ALA . 34764 1 16 . PHE . 34764 1 17 . SER . 34764 1 18 . LEU . 34764 1 19 . PHE . 34764 1 20 . ASP . 34764 1 21 . LYS . 34764 1 22 . ASP . 34764 1 23 . GLY . 34764 1 24 . ASP . 34764 1 25 . GLY . 34764 1 26 . THR . 34764 1 27 . ILE . 34764 1 28 . THR . 34764 1 29 . THR . 34764 1 30 . LYS . 34764 1 31 . GLU . 34764 1 32 . LEU . 34764 1 33 . GLY . 34764 1 34 . THR . 34764 1 35 . VAL . 34764 1 36 . MET . 34764 1 37 . ARG . 34764 1 38 . SER . 34764 1 39 . LEU . 34764 1 40 . GLY . 34764 1 41 . GLN . 34764 1 42 . ASN . 34764 1 43 . PRO . 34764 1 44 . THR . 34764 1 45 . GLU . 34764 1 46 . ALA . 34764 1 47 . GLU . 34764 1 48 . LEU . 34764 1 49 . GLN . 34764 1 50 . ASP . 34764 1 51 . MET . 34764 1 52 . ILE . 34764 1 53 . ASN . 34764 1 54 . GLU . 34764 1 55 . VAL . 34764 1 56 . ASP . 34764 1 57 . ALA . 34764 1 58 . ASP . 34764 1 59 . GLY . 34764 1 60 . ASN . 34764 1 61 . GLY . 34764 1 62 . THR . 34764 1 63 . ILE . 34764 1 64 . ASP . 34764 1 65 . PHE . 34764 1 66 . PRO . 34764 1 67 . GLU . 34764 1 68 . PHE . 34764 1 69 . LEU . 34764 1 70 . THR . 34764 1 71 . MET . 34764 1 72 . MET . 34764 1 73 . ALA . 34764 1 74 . ARG . 34764 1 75 . LYS . 34764 1 76 . MET . 34764 1 77 . LYS . 34764 1 78 . ASP . 34764 1 79 . THR . 34764 1 80 . ASP . 34764 1 81 . SER . 34764 1 82 . GLU . 34764 1 83 . GLU . 34764 1 84 . GLU . 34764 1 85 . ILE . 34764 1 86 . ARG . 34764 1 87 . GLU . 34764 1 88 . ALA . 34764 1 89 . PHE . 34764 1 90 . ARG . 34764 1 91 . VAL . 34764 1 92 . PHE . 34764 1 93 . ASP . 34764 1 94 . LYS . 34764 1 95 . ASP . 34764 1 96 . GLY . 34764 1 97 . ASN . 34764 1 98 . GLY . 34764 1 99 . TYR . 34764 1 100 . ILE . 34764 1 101 . SER . 34764 1 102 . ALA . 34764 1 103 . ALA . 34764 1 104 . GLU . 34764 1 105 . LEU . 34764 1 106 . ARG . 34764 1 107 . HIS . 34764 1 108 . VAL . 34764 1 109 . MET . 34764 1 110 . THR . 34764 1 111 . ASN . 34764 1 112 . LEU . 34764 1 113 . ARG . 34764 1 114 . GLU . 34764 1 115 . LYS . 34764 1 116 . LEU . 34764 1 117 . THR . 34764 1 118 . ASP . 34764 1 119 . GLU . 34764 1 120 . GLU . 34764 1 121 . VAL . 34764 1 122 . ASP . 34764 1 123 . GLU . 34764 1 124 . MET . 34764 1 125 . ILE . 34764 1 126 . ARG . 34764 1 127 . GLU . 34764 1 128 . ALA . 34764 1 129 . ASP . 34764 1 130 . ILE . 34764 1 131 . ASP . 34764 1 132 . GLY . 34764 1 133 . ASP . 34764 1 134 . GLY . 34764 1 135 . GLN . 34764 1 136 . VAL . 34764 1 137 . ASN . 34764 1 138 . TYR . 34764 1 139 . GLU . 34764 1 140 . GLU . 34764 1 141 . PHE . 34764 1 142 . VAL . 34764 1 143 . GLN . 34764 1 144 . MET . 34764 1 145 . MET . 34764 1 146 . THR . 34764 1 147 . ALA . 34764 1 148 . LYS . 34764 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 34764 1 . ASP 2 2 34764 1 . GLN 3 3 34764 1 . LEU 4 4 34764 1 . THR 5 5 34764 1 . GLU 6 6 34764 1 . GLU 7 7 34764 1 . GLN 8 8 34764 1 . ILE 9 9 34764 1 . ALA 10 10 34764 1 . GLU 11 11 34764 1 . PHE 12 12 34764 1 . LYS 13 13 34764 1 . GLU 14 14 34764 1 . ALA 15 15 34764 1 . PHE 16 16 34764 1 . SER 17 17 34764 1 . LEU 18 18 34764 1 . PHE 19 19 34764 1 . ASP 20 20 34764 1 . LYS 21 21 34764 1 . ASP 22 22 34764 1 . GLY 23 23 34764 1 . ASP 24 24 34764 1 . GLY 25 25 34764 1 . THR 26 26 34764 1 . ILE 27 27 34764 1 . THR 28 28 34764 1 . THR 29 29 34764 1 . LYS 30 30 34764 1 . GLU 31 31 34764 1 . LEU 32 32 34764 1 . GLY 33 33 34764 1 . THR 34 34 34764 1 . VAL 35 35 34764 1 . MET 36 36 34764 1 . ARG 37 37 34764 1 . SER 38 38 34764 1 . LEU 39 39 34764 1 . GLY 40 40 34764 1 . GLN 41 41 34764 1 . ASN 42 42 34764 1 . PRO 43 43 34764 1 . THR 44 44 34764 1 . GLU 45 45 34764 1 . ALA 46 46 34764 1 . GLU 47 47 34764 1 . LEU 48 48 34764 1 . GLN 49 49 34764 1 . ASP 50 50 34764 1 . MET 51 51 34764 1 . ILE 52 52 34764 1 . ASN 53 53 34764 1 . GLU 54 54 34764 1 . VAL 55 55 34764 1 . ASP 56 56 34764 1 . ALA 57 57 34764 1 . ASP 58 58 34764 1 . GLY 59 59 34764 1 . ASN 60 60 34764 1 . GLY 61 61 34764 1 . THR 62 62 34764 1 . ILE 63 63 34764 1 . ASP 64 64 34764 1 . PHE 65 65 34764 1 . PRO 66 66 34764 1 . GLU 67 67 34764 1 . PHE 68 68 34764 1 . LEU 69 69 34764 1 . THR 70 70 34764 1 . MET 71 71 34764 1 . MET 72 72 34764 1 . ALA 73 73 34764 1 . ARG 74 74 34764 1 . LYS 75 75 34764 1 . MET 76 76 34764 1 . LYS 77 77 34764 1 . ASP 78 78 34764 1 . THR 79 79 34764 1 . ASP 80 80 34764 1 . SER 81 81 34764 1 . GLU 82 82 34764 1 . GLU 83 83 34764 1 . GLU 84 84 34764 1 . ILE 85 85 34764 1 . ARG 86 86 34764 1 . GLU 87 87 34764 1 . ALA 88 88 34764 1 . PHE 89 89 34764 1 . ARG 90 90 34764 1 . VAL 91 91 34764 1 . PHE 92 92 34764 1 . ASP 93 93 34764 1 . LYS 94 94 34764 1 . ASP 95 95 34764 1 . GLY 96 96 34764 1 . ASN 97 97 34764 1 . GLY 98 98 34764 1 . TYR 99 99 34764 1 . ILE 100 100 34764 1 . SER 101 101 34764 1 . ALA 102 102 34764 1 . ALA 103 103 34764 1 . GLU 104 104 34764 1 . LEU 105 105 34764 1 . ARG 106 106 34764 1 . HIS 107 107 34764 1 . VAL 108 108 34764 1 . MET 109 109 34764 1 . THR 110 110 34764 1 . ASN 111 111 34764 1 . LEU 112 112 34764 1 . ARG 113 113 34764 1 . GLU 114 114 34764 1 . LYS 115 115 34764 1 . LEU 116 116 34764 1 . THR 117 117 34764 1 . ASP 118 118 34764 1 . GLU 119 119 34764 1 . GLU 120 120 34764 1 . VAL 121 121 34764 1 . ASP 122 122 34764 1 . GLU 123 123 34764 1 . MET 124 124 34764 1 . ILE 125 125 34764 1 . ARG 126 126 34764 1 . GLU 127 127 34764 1 . ALA 128 128 34764 1 . ASP 129 129 34764 1 . ILE 130 130 34764 1 . ASP 131 131 34764 1 . GLY 132 132 34764 1 . ASP 133 133 34764 1 . GLY 134 134 34764 1 . GLN 135 135 34764 1 . VAL 136 136 34764 1 . ASN 137 137 34764 1 . TYR 138 138 34764 1 . GLU 139 139 34764 1 . GLU 140 140 34764 1 . PHE 141 141 34764 1 . VAL 142 142 34764 1 . GLN 143 143 34764 1 . MET 144 144 34764 1 . MET 145 145 34764 1 . THR 146 146 34764 1 . ALA 147 147 34764 1 . LYS 148 148 34764 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 34764 _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 34764 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 34764 2 CA 'Three letter code' 34764 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 34764 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34764 _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 . . . . . . . . . . . 'CALM3, CALML2, CAM3, CAMC, CAMIII' . 34764 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 34764 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34764 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 34764 _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 34764 CA InChI=1S/Ca/q+2 InChI InChI 1.03 34764 CA [Ca++] SMILES CACTVS 3.341 34764 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 34764 CA [Ca+2] SMILES ACDLabs 10.04 34764 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 34764 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34764 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 34764 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34764 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 . 34764 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34764 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 100 mM potassium chloride, 5 mM calcium chloride, 2 mM sodium azide, 20 mM HEPES, 0.1 mM 2,2,3,3-tetradeutero TSP-d4, 1 mM (Ser81-Lys148-U-15N,13C) Calmodulin G113R, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _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 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 34764 1 2 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 34764 1 3 'sodium azide' 'natural abundance' . . . . . . 2 . . mM . . . . 34764 1 4 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 34764 1 5 TSP-d4 2,2,3,3-tetradeutero . . . . . . 0.1 . . mM . . . . 34764 1 6 'Calmodulin G113R' '[(Ser81-Lys148; U-15N; U-13C)]' . . 1 $entity_1 . . 1 . . mM 0.1 . . . 34764 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 34764 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 127 . mM 34764 1 pH 6.69 . pH 34764 1 pressure 1 . atm 34764 1 temperature 298.1 . K 34764 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34764 _Software.ID 1 _Software.Type . _Software.Name YASARA _Software.Version 20.12.24 _Software.DOI . _Software.Details 'Elmar Krieger; YASARA Bioscience' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'YASARA Bioscience' . . 34764 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34764 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34764 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.97 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34764 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34764 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34764 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version 1.8.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34764 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34764 3 'peak picking' . 34764 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 34764 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'CPP-TCI probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34764 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 600 . . . 34764 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34764 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34764 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34764 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34764 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34764 1 5 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34764 1 6 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34764 1 7 '3D CBCANH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34764 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34764 1 9 2D-(HB)CB(CGCD)HD no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34764 1 10 2D-CACO no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34764 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34764 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34764 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34764 1 14 2D-(HB)CB(CGCDCE)HE no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34764 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34764 1 16 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34764 1 17 '3D (H)CC(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34764 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 34764 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144954 . . . . . 34764 1 H 1 TSP 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34764 1 N 15 TSP 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34764 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 34764 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34764 1 2 '2D 1H-13C HSQC aliphatic' . . . 34764 1 3 '2D 1H-13C HSQC aromatic' . . . 34764 1 4 '3D HNCO' . . . 34764 1 5 '3D HN(CA)CO' . . . 34764 1 6 '3D HNCA' . . . 34764 1 7 '3D CBCANH' . . . 34764 1 8 '3D CBCA(CO)NH' . . . 34764 1 9 2D-(HB)CB(CGCD)HD . . . 34764 1 10 2D-CACO . . . 34764 1 11 '3D HBHA(CO)NH' . . . 34764 1 12 '3D 1H-13C NOESY aromatic' . . . 34764 1 13 '3D 1H-13C NOESY aliphatic' . . . 34764 1 14 2D-(HB)CB(CGCDCE)HE . . . 34764 1 15 '3D 1H-15N NOESY' . . . 34764 1 16 '3D H(CCO)NH' . . . 34764 1 17 '3D (H)CC(CO)NH' . . . 34764 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 81 81 SER H H 1 8.488 0.020 . 1 . . . . A 81 SER H . 34764 1 2 . 1 . 1 81 81 SER HA H 1 4.472 0.020 . 1 . . . . A 81 SER HA . 34764 1 3 . 1 . 1 81 81 SER HB2 H 1 4.076 0.020 . 2 . . . . A 81 SER HB2 . 34764 1 4 . 1 . 1 81 81 SER HB3 H 1 3.979 0.020 . 2 . . . . A 81 SER HB3 . 34764 1 5 . 1 . 1 81 81 SER C C 13 175.357 0.3 . 1 . . . . A 81 SER C . 34764 1 6 . 1 . 1 81 81 SER CA C 13 58.983 0.3 . 1 . . . . A 81 SER CA . 34764 1 7 . 1 . 1 81 81 SER CB C 13 63.388 0.3 . 1 . . . . A 81 SER CB . 34764 1 8 . 1 . 1 81 81 SER N N 15 117.342 0.3 . 1 . . . . A 81 SER N . 34764 1 9 . 1 . 1 82 82 GLU H H 1 8.544 0.020 . 1 . . . . A 82 GLU H . 34764 1 10 . 1 . 1 82 82 GLU HA H 1 4.178 0.020 . 1 . . . . A 82 GLU HA . 34764 1 11 . 1 . 1 82 82 GLU HB2 H 1 2.172 0.020 . 2 . . . . A 82 GLU HB2 . 34764 1 12 . 1 . 1 82 82 GLU HB3 H 1 2.138 0.020 . 2 . . . . A 82 GLU HB3 . 34764 1 13 . 1 . 1 82 82 GLU HG2 H 1 2.415 0.020 . 2 . . . . A 82 GLU HG2 . 34764 1 14 . 1 . 1 82 82 GLU HG3 H 1 2.338 0.020 . 2 . . . . A 82 GLU HG3 . 34764 1 15 . 1 . 1 82 82 GLU C C 13 177.866 0.3 . 1 . . . . A 82 GLU C . 34764 1 16 . 1 . 1 82 82 GLU CA C 13 58.350 0.3 . 1 . . . . A 82 GLU CA . 34764 1 17 . 1 . 1 82 82 GLU CB C 13 29.380 0.3 . 1 . . . . A 82 GLU CB . 34764 1 18 . 1 . 1 82 82 GLU CG C 13 36.265 0.3 . 1 . . . . A 82 GLU CG . 34764 1 19 . 1 . 1 82 82 GLU N N 15 122.528 0.3 . 1 . . . . A 82 GLU N . 34764 1 20 . 1 . 1 83 83 GLU H H 1 8.347 0.020 . 1 . . . . A 83 GLU H . 34764 1 21 . 1 . 1 83 83 GLU HA H 1 4.069 0.020 . 1 . . . . A 83 GLU HA . 34764 1 22 . 1 . 1 83 83 GLU HB2 H 1 2.164 0.020 . 2 . . . . A 83 GLU HB2 . 34764 1 23 . 1 . 1 83 83 GLU HB3 H 1 2.102 0.020 . 2 . . . . A 83 GLU HB3 . 34764 1 24 . 1 . 1 83 83 GLU HG2 H 1 2.371 0.020 . 2 . . . . A 83 GLU HG2 . 34764 1 25 . 1 . 1 83 83 GLU HG3 H 1 2.308 0.020 . 2 . . . . A 83 GLU HG3 . 34764 1 26 . 1 . 1 83 83 GLU C C 13 178.648 0.3 . 1 . . . . A 83 GLU C . 34764 1 27 . 1 . 1 83 83 GLU CA C 13 59.027 0.3 . 1 . . . . A 83 GLU CA . 34764 1 28 . 1 . 1 83 83 GLU CB C 13 29.866 0.3 . 1 . . . . A 83 GLU CB . 34764 1 29 . 1 . 1 83 83 GLU CG C 13 35.405 0.3 . 1 . . . . A 83 GLU CG . 34764 1 30 . 1 . 1 83 83 GLU N N 15 119.654 0.3 . 1 . . . . A 83 GLU N . 34764 1 31 . 1 . 1 84 84 GLU H H 1 7.903 0.020 . 1 . . . . A 84 GLU H . 34764 1 32 . 1 . 1 84 84 GLU HA H 1 4.155 0.020 . 1 . . . . A 84 GLU HA . 34764 1 33 . 1 . 1 84 84 GLU HB2 H 1 2.207 0.020 . 2 . . . . A 84 GLU HB2 . 34764 1 34 . 1 . 1 84 84 GLU HB3 H 1 2.138 0.020 . 2 . . . . A 84 GLU HB3 . 34764 1 35 . 1 . 1 84 84 GLU HG2 H 1 2.410 0.020 . 2 . . . . A 84 GLU HG2 . 34764 1 36 . 1 . 1 84 84 GLU HG3 H 1 2.351 0.020 . 2 . . . . A 84 GLU HG3 . 34764 1 37 . 1 . 1 84 84 GLU C C 13 179.668 0.3 . 1 . . . . A 84 GLU C . 34764 1 38 . 1 . 1 84 84 GLU CA C 13 58.994 0.3 . 1 . . . . A 84 GLU CA . 34764 1 39 . 1 . 1 84 84 GLU CB C 13 29.097 0.3 . 1 . . . . A 84 GLU CB . 34764 1 40 . 1 . 1 84 84 GLU CG C 13 36.601 0.3 . 1 . . . . A 84 GLU CG . 34764 1 41 . 1 . 1 84 84 GLU N N 15 119.632 0.3 . 1 . . . . A 84 GLU N . 34764 1 42 . 1 . 1 85 85 ILE H H 1 8.068 0.020 . 1 . . . . A 85 ILE H . 34764 1 43 . 1 . 1 85 85 ILE HA H 1 4.040 0.020 . 1 . . . . A 85 ILE HA . 34764 1 44 . 1 . 1 85 85 ILE HB H 1 2.182 0.020 . 1 . . . . A 85 ILE HB . 34764 1 45 . 1 . 1 85 85 ILE HG12 H 1 1.114 0.020 . 1 . . . . A 85 ILE HG12 . 34764 1 46 . 1 . 1 85 85 ILE HG21 H 1 1.134 0.020 . 1 . . . . A 85 ILE HG21 . 34764 1 47 . 1 . 1 85 85 ILE HG22 H 1 1.134 0.020 . 1 . . . . A 85 ILE HG22 . 34764 1 48 . 1 . 1 85 85 ILE HG23 H 1 1.134 0.020 . 1 . . . . A 85 ILE HG23 . 34764 1 49 . 1 . 1 85 85 ILE HD11 H 1 0.805 0.020 . 1 . . . . A 85 ILE HD11 . 34764 1 50 . 1 . 1 85 85 ILE HD12 H 1 0.805 0.020 . 1 . . . . A 85 ILE HD12 . 34764 1 51 . 1 . 1 85 85 ILE HD13 H 1 0.805 0.020 . 1 . . . . A 85 ILE HD13 . 34764 1 52 . 1 . 1 85 85 ILE C C 13 177.779 0.3 . 1 . . . . A 85 ILE C . 34764 1 53 . 1 . 1 85 85 ILE CA C 13 64.319 0.3 . 1 . . . . A 85 ILE CA . 34764 1 54 . 1 . 1 85 85 ILE CB C 13 37.015 0.3 . 1 . . . . A 85 ILE CB . 34764 1 55 . 1 . 1 85 85 ILE CG1 C 13 28.772 0.3 . 1 . . . . A 85 ILE CG1 . 34764 1 56 . 1 . 1 85 85 ILE CG2 C 13 18.590 0.3 . 1 . . . . A 85 ILE CG2 . 34764 1 57 . 1 . 1 85 85 ILE CD1 C 13 12.722 0.3 . 1 . . . . A 85 ILE CD1 . 34764 1 58 . 1 . 1 85 85 ILE N N 15 122.107 0.3 . 1 . . . . A 85 ILE N . 34764 1 59 . 1 . 1 86 86 ARG H H 1 8.460 0.020 . 1 . . . . A 86 ARG H . 34764 1 60 . 1 . 1 86 86 ARG HA H 1 4.183 0.020 . 1 . . . . A 86 ARG HA . 34764 1 61 . 1 . 1 86 86 ARG HB2 H 1 1.925 0.020 . 2 . . . . A 86 ARG HB2 . 34764 1 62 . 1 . 1 86 86 ARG HB3 H 1 1.863 0.020 . 2 . . . . A 86 ARG HB3 . 34764 1 63 . 1 . 1 86 86 ARG HG2 H 1 1.613 0.020 . 2 . . . . A 86 ARG HG2 . 34764 1 64 . 1 . 1 86 86 ARG HG3 H 1 1.571 0.020 . 2 . . . . A 86 ARG HG3 . 34764 1 65 . 1 . 1 86 86 ARG HD2 H 1 3.004 0.020 . 2 . . . . A 86 ARG HD2 . 34764 1 66 . 1 . 1 86 86 ARG HD3 H 1 3.038 0.020 . 2 . . . . A 86 ARG HD3 . 34764 1 67 . 1 . 1 86 86 ARG C C 13 179.320 0.3 . 1 . . . . A 86 ARG C . 34764 1 68 . 1 . 1 86 86 ARG CA C 13 59.667 0.3 . 1 . . . . A 86 ARG CA . 34764 1 69 . 1 . 1 86 86 ARG CB C 13 29.699 0.3 . 1 . . . . A 86 ARG CB . 34764 1 70 . 1 . 1 86 86 ARG CG C 13 27.227 0.3 . 1 . . . . A 86 ARG CG . 34764 1 71 . 1 . 1 86 86 ARG CD C 13 42.759 0.3 . 1 . . . . A 86 ARG CD . 34764 1 72 . 1 . 1 86 86 ARG N N 15 121.821 0.3 . 1 . . . . A 86 ARG N . 34764 1 73 . 1 . 1 87 87 GLU H H 1 8.181 0.020 . 1 . . . . A 87 GLU H . 34764 1 74 . 1 . 1 87 87 GLU HA H 1 4.157 0.020 . 1 . . . . A 87 GLU HA . 34764 1 75 . 1 . 1 87 87 GLU HB2 H 1 2.171 0.020 . 2 . . . . A 87 GLU HB2 . 34764 1 76 . 1 . 1 87 87 GLU HB3 H 1 2.104 0.020 . 2 . . . . A 87 GLU HB3 . 34764 1 77 . 1 . 1 87 87 GLU HG2 H 1 2.435 0.020 . 2 . . . . A 87 GLU HG2 . 34764 1 78 . 1 . 1 87 87 GLU HG3 H 1 2.279 0.020 . 2 . . . . A 87 GLU HG3 . 34764 1 79 . 1 . 1 87 87 GLU C C 13 178.502 0.3 . 1 . . . . A 87 GLU C . 34764 1 80 . 1 . 1 87 87 GLU CA C 13 58.555 0.3 . 1 . . . . A 87 GLU CA . 34764 1 81 . 1 . 1 87 87 GLU CB C 13 29.168 0.3 . 1 . . . . A 87 GLU CB . 34764 1 82 . 1 . 1 87 87 GLU CG C 13 35.882 0.3 . 1 . . . . A 87 GLU CG . 34764 1 83 . 1 . 1 87 87 GLU N N 15 118.751 0.3 . 1 . . . . A 87 GLU N . 34764 1 84 . 1 . 1 88 88 ALA H H 1 8.006 0.020 . 1 . . . . A 88 ALA H . 34764 1 85 . 1 . 1 88 88 ALA HA H 1 4.183 0.020 . 1 . . . . A 88 ALA HA . 34764 1 86 . 1 . 1 88 88 ALA HB1 H 1 1.789 0.020 . 1 . . . . A 88 ALA HB1 . 34764 1 87 . 1 . 1 88 88 ALA HB2 H 1 1.789 0.020 . 1 . . . . A 88 ALA HB2 . 34764 1 88 . 1 . 1 88 88 ALA HB3 H 1 1.789 0.020 . 1 . . . . A 88 ALA HB3 . 34764 1 89 . 1 . 1 88 88 ALA C C 13 179.121 0.3 . 1 . . . . A 88 ALA C . 34764 1 90 . 1 . 1 88 88 ALA CA C 13 54.690 0.3 . 1 . . . . A 88 ALA CA . 34764 1 91 . 1 . 1 88 88 ALA CB C 13 17.303 0.3 . 1 . . . . A 88 ALA CB . 34764 1 92 . 1 . 1 88 88 ALA N N 15 122.043 0.3 . 1 . . . . A 88 ALA N . 34764 1 93 . 1 . 1 89 89 PHE H H 1 8.591 0.020 . 1 . . . . A 89 PHE H . 34764 1 94 . 1 . 1 89 89 PHE HA H 1 3.132 0.020 . 1 . . . . A 89 PHE HA . 34764 1 95 . 1 . 1 89 89 PHE HB2 H 1 3.010 0.020 . 2 . . . . A 89 PHE HB2 . 34764 1 96 . 1 . 1 89 89 PHE HB3 H 1 3.256 0.020 . 2 . . . . A 89 PHE HB3 . 34764 1 97 . 1 . 1 89 89 PHE HD1 H 1 6.635 0.020 . 1 . . . . A 89 PHE HD1 . 34764 1 98 . 1 . 1 89 89 PHE HD2 H 1 6.635 0.020 . 1 . . . . A 89 PHE HD2 . 34764 1 99 . 1 . 1 89 89 PHE HE1 H 1 7.018 0.020 . 1 . . . . A 89 PHE HE1 . 34764 1 100 . 1 . 1 89 89 PHE HE2 H 1 7.018 0.020 . 1 . . . . A 89 PHE HE2 . 34764 1 101 . 1 . 1 89 89 PHE HZ H 1 7.059 0.020 . 1 . . . . A 89 PHE HZ . 34764 1 102 . 1 . 1 89 89 PHE C C 13 176.384 0.3 . 1 . . . . A 89 PHE C . 34764 1 103 . 1 . 1 89 89 PHE CA C 13 61.794 0.3 . 1 . . . . A 89 PHE CA . 34764 1 104 . 1 . 1 89 89 PHE CB C 13 38.652 0.3 . 1 . . . . A 89 PHE CB . 34764 1 105 . 1 . 1 89 89 PHE CD1 C 13 132.291 0.3 . 1 . . . . A 89 PHE CD1 . 34764 1 106 . 1 . 1 89 89 PHE CE1 C 13 131.377 0.3 . 1 . . . . A 89 PHE CE1 . 34764 1 107 . 1 . 1 89 89 PHE CZ C 13 129.507 0.3 . 1 . . . . A 89 PHE CZ . 34764 1 108 . 1 . 1 89 89 PHE N N 15 118.776 0.3 . 1 . . . . A 89 PHE N . 34764 1 109 . 1 . 1 90 90 ARG H H 1 7.742 0.020 . 1 . . . . A 90 ARG H . 34764 1 110 . 1 . 1 90 90 ARG HA H 1 3.889 0.020 . 1 . . . . A 90 ARG HA . 34764 1 111 . 1 . 1 90 90 ARG HB2 H 1 2.002 0.020 . 2 . . . . A 90 ARG HB2 . 34764 1 112 . 1 . 1 90 90 ARG HB3 H 1 1.958 0.020 . 2 . . . . A 90 ARG HB3 . 34764 1 113 . 1 . 1 90 90 ARG HG2 H 1 1.725 0.020 . 2 . . . . A 90 ARG HG2 . 34764 1 114 . 1 . 1 90 90 ARG HG3 H 1 1.695 0.020 . 2 . . . . A 90 ARG HG3 . 34764 1 115 . 1 . 1 90 90 ARG HD2 H 1 3.229 0.020 . 2 . . . . A 90 ARG HD2 . 34764 1 116 . 1 . 1 90 90 ARG HD3 H 1 3.226 0.020 . 2 . . . . A 90 ARG HD3 . 34764 1 117 . 1 . 1 90 90 ARG C C 13 178.197 0.3 . 1 . . . . A 90 ARG C . 34764 1 118 . 1 . 1 90 90 ARG CA C 13 58.557 0.3 . 1 . . . . A 90 ARG CA . 34764 1 119 . 1 . 1 90 90 ARG CB C 13 30.019 0.3 . 1 . . . . A 90 ARG CB . 34764 1 120 . 1 . 1 90 90 ARG CG C 13 27.556 0.3 . 1 . . . . A 90 ARG CG . 34764 1 121 . 1 . 1 90 90 ARG CD C 13 43.322 0.3 . 1 . . . . A 90 ARG CD . 34764 1 122 . 1 . 1 90 90 ARG N N 15 115.863 0.3 . 1 . . . . A 90 ARG N . 34764 1 123 . 1 . 1 91 91 VAL H H 1 7.584 0.020 . 1 . . . . A 91 VAL H . 34764 1 124 . 1 . 1 91 91 VAL HA H 1 3.509 0.020 . 1 . . . . A 91 VAL HA . 34764 1 125 . 1 . 1 91 91 VAL HG11 H 1 1.015 0.020 . 1 . . . . A 91 VAL HG11 . 34764 1 126 . 1 . 1 91 91 VAL HG12 H 1 1.015 0.020 . 1 . . . . A 91 VAL HG12 . 34764 1 127 . 1 . 1 91 91 VAL HG13 H 1 1.015 0.020 . 1 . . . . A 91 VAL HG13 . 34764 1 128 . 1 . 1 91 91 VAL HG21 H 1 0.677 0.020 . 1 . . . . A 91 VAL HG21 . 34764 1 129 . 1 . 1 91 91 VAL HG22 H 1 0.677 0.020 . 1 . . . . A 91 VAL HG22 . 34764 1 130 . 1 . 1 91 91 VAL HG23 H 1 0.677 0.020 . 1 . . . . A 91 VAL HG23 . 34764 1 131 . 1 . 1 91 91 VAL C C 13 177.583 0.3 . 1 . . . . A 91 VAL C . 34764 1 132 . 1 . 1 91 91 VAL CA C 13 65.328 0.3 . 1 . . . . A 91 VAL CA . 34764 1 133 . 1 . 1 91 91 VAL CB C 13 31.295 0.3 . 1 . . . . A 91 VAL CB . 34764 1 134 . 1 . 1 91 91 VAL CG1 C 13 22.346 0.3 . 1 . . . . A 91 VAL CG1 . 34764 1 135 . 1 . 1 91 91 VAL CG2 C 13 20.544 0.3 . 1 . . . . A 91 VAL CG2 . 34764 1 136 . 1 . 1 91 91 VAL N N 15 118.301 0.3 . 1 . . . . A 91 VAL N . 34764 1 137 . 1 . 1 92 92 PHE H H 1 7.592 0.020 . 1 . . . . A 92 PHE H . 34764 1 138 . 1 . 1 92 92 PHE HA H 1 4.268 0.020 . 1 . . . . A 92 PHE HA . 34764 1 139 . 1 . 1 92 92 PHE HB2 H 1 2.712 0.020 . 2 . . . . A 92 PHE HB2 . 34764 1 140 . 1 . 1 92 92 PHE HB3 H 1 2.679 0.020 . 2 . . . . A 92 PHE HB3 . 34764 1 141 . 1 . 1 92 92 PHE HD1 H 1 7.328 0.020 . 1 . . . . A 92 PHE HD1 . 34764 1 142 . 1 . 1 92 92 PHE HD2 H 1 7.328 0.020 . 1 . . . . A 92 PHE HD2 . 34764 1 143 . 1 . 1 92 92 PHE HE1 H 1 7.400 0.020 . 1 . . . . A 92 PHE HE1 . 34764 1 144 . 1 . 1 92 92 PHE HE2 H 1 7.400 0.020 . 1 . . . . A 92 PHE HE2 . 34764 1 145 . 1 . 1 92 92 PHE C C 13 177.385 0.3 . 1 . . . . A 92 PHE C . 34764 1 146 . 1 . 1 92 92 PHE CA C 13 59.271 0.3 . 1 . . . . A 92 PHE CA . 34764 1 147 . 1 . 1 92 92 PHE CB C 13 39.911 0.3 . 1 . . . . A 92 PHE CB . 34764 1 148 . 1 . 1 92 92 PHE CD1 C 13 132.146 0.3 . 1 . . . . A 92 PHE CD1 . 34764 1 149 . 1 . 1 92 92 PHE CE1 C 13 131.362 0.3 . 1 . . . . A 92 PHE CE1 . 34764 1 150 . 1 . 1 92 92 PHE N N 15 116.586 0.3 . 1 . . . . A 92 PHE N . 34764 1 151 . 1 . 1 93 93 ASP H H 1 7.963 0.020 . 1 . . . . A 93 ASP H . 34764 1 152 . 1 . 1 93 93 ASP HA H 1 4.551 0.020 . 1 . . . . A 93 ASP HA . 34764 1 153 . 1 . 1 93 93 ASP HB2 H 1 1.394 0.020 . 2 . . . . A 93 ASP HB2 . 34764 1 154 . 1 . 1 93 93 ASP HB3 H 1 2.347 0.020 . 2 . . . . A 93 ASP HB3 . 34764 1 155 . 1 . 1 93 93 ASP C C 13 177.254 0.3 . 1 . . . . A 93 ASP C . 34764 1 156 . 1 . 1 93 93 ASP CA C 13 51.957 0.3 . 1 . . . . A 93 ASP CA . 34764 1 157 . 1 . 1 93 93 ASP CB C 13 37.860 0.3 . 1 . . . . A 93 ASP CB . 34764 1 158 . 1 . 1 93 93 ASP N N 15 117.737 0.3 . 1 . . . . A 93 ASP N . 34764 1 159 . 1 . 1 94 94 LYS H H 1 7.741 0.020 . 1 . . . . A 94 LYS H . 34764 1 160 . 1 . 1 94 94 LYS HA H 1 3.940 0.020 . 1 . . . . A 94 LYS HA . 34764 1 161 . 1 . 1 94 94 LYS HB2 H 1 1.712 0.020 . 2 . . . . A 94 LYS HB2 . 34764 1 162 . 1 . 1 94 94 LYS HB3 H 1 1.835 0.020 . 2 . . . . A 94 LYS HB3 . 34764 1 163 . 1 . 1 94 94 LYS HG2 H 1 1.554 0.020 . 2 . . . . A 94 LYS HG2 . 34764 1 164 . 1 . 1 94 94 LYS HG3 H 1 1.468 0.020 . 2 . . . . A 94 LYS HG3 . 34764 1 165 . 1 . 1 94 94 LYS HD2 H 1 1.699 0.020 . 2 . . . . A 94 LYS HD2 . 34764 1 166 . 1 . 1 94 94 LYS HD3 H 1 1.672 0.020 . 2 . . . . A 94 LYS HD3 . 34764 1 167 . 1 . 1 94 94 LYS HE2 H 1 2.913 0.020 . 1 . . . . A 94 LYS HE2 . 34764 1 168 . 1 . 1 94 94 LYS C C 13 178.119 0.3 . 1 . . . . A 94 LYS C . 34764 1 169 . 1 . 1 94 94 LYS CA C 13 58.628 0.3 . 1 . . . . A 94 LYS CA . 34764 1 170 . 1 . 1 94 94 LYS CB C 13 32.545 0.3 . 1 . . . . A 94 LYS CB . 34764 1 171 . 1 . 1 94 94 LYS CG C 13 24.178 0.3 . 1 . . . . A 94 LYS CG . 34764 1 172 . 1 . 1 94 94 LYS CD C 13 28.542 0.3 . 1 . . . . A 94 LYS CD . 34764 1 173 . 1 . 1 94 94 LYS CE C 13 41.470 0.3 . 1 . . . . A 94 LYS CE . 34764 1 174 . 1 . 1 94 94 LYS N N 15 126.110 0.3 . 1 . . . . A 94 LYS N . 34764 1 175 . 1 . 1 95 95 ASP H H 1 8.167 0.020 . 1 . . . . A 95 ASP H . 34764 1 176 . 1 . 1 95 95 ASP HA H 1 4.583 0.020 . 1 . . . . A 95 ASP HA . 34764 1 177 . 1 . 1 95 95 ASP HB2 H 1 3.097 0.020 . 2 . . . . A 95 ASP HB2 . 34764 1 178 . 1 . 1 95 95 ASP HB3 H 1 2.657 0.020 . 2 . . . . A 95 ASP HB3 . 34764 1 179 . 1 . 1 95 95 ASP C C 13 177.602 0.3 . 1 . . . . A 95 ASP C . 34764 1 180 . 1 . 1 95 95 ASP CA C 13 52.576 0.3 . 1 . . . . A 95 ASP CA . 34764 1 181 . 1 . 1 95 95 ASP CB C 13 39.118 0.3 . 1 . . . . A 95 ASP CB . 34764 1 182 . 1 . 1 95 95 ASP N N 15 113.947 0.3 . 1 . . . . A 95 ASP N . 34764 1 183 . 1 . 1 96 96 GLY H H 1 7.812 0.020 . 1 . . . . A 96 GLY H . 34764 1 184 . 1 . 1 96 96 GLY HA2 H 1 3.851 0.020 . 1 . . . . A 96 GLY HA2 . 34764 1 185 . 1 . 1 96 96 GLY HA3 H 1 3.851 0.020 . 1 . . . . A 96 GLY HA3 . 34764 1 186 . 1 . 1 96 96 GLY C C 13 175.012 0.3 . 1 . . . . A 96 GLY C . 34764 1 187 . 1 . 1 96 96 GLY CA C 13 46.731 0.3 . 1 . . . . A 96 GLY CA . 34764 1 188 . 1 . 1 96 96 GLY N N 15 109.262 0.3 . 1 . . . . A 96 GLY N . 34764 1 189 . 1 . 1 97 97 ASN H H 1 8.340 0.020 . 1 . . . . A 97 ASN H . 34764 1 190 . 1 . 1 97 97 ASN HA H 1 4.675 0.020 . 1 . . . . A 97 ASN HA . 34764 1 191 . 1 . 1 97 97 ASN HB2 H 1 3.413 0.020 . 2 . . . . A 97 ASN HB2 . 34764 1 192 . 1 . 1 97 97 ASN HB3 H 1 2.668 0.020 . 2 . . . . A 97 ASN HB3 . 34764 1 193 . 1 . 1 97 97 ASN HD21 H 1 8.107 0.020 . 1 . . . . A 97 ASN HD21 . 34764 1 194 . 1 . 1 97 97 ASN HD22 H 1 7.396 0.020 . 1 . . . . A 97 ASN HD22 . 34764 1 195 . 1 . 1 97 97 ASN C C 13 176.051 0.3 . 1 . . . . A 97 ASN C . 34764 1 196 . 1 . 1 97 97 ASN CA C 13 52.255 0.3 . 1 . . . . A 97 ASN CA . 34764 1 197 . 1 . 1 97 97 ASN CB C 13 37.804 0.3 . 1 . . . . A 97 ASN CB . 34764 1 198 . 1 . 1 97 97 ASN N N 15 119.454 0.3 . 1 . . . . A 97 ASN N . 34764 1 199 . 1 . 1 97 97 ASN ND2 N 15 116.428 0.3 . 1 . . . . A 97 ASN ND2 . 34764 1 200 . 1 . 1 98 98 GLY H H 1 10.643 0.020 . 1 . . . . A 98 GLY H . 34764 1 201 . 1 . 1 98 98 GLY HA2 H 1 4.068 0.020 . 2 . . . . A 98 GLY HA2 . 34764 1 202 . 1 . 1 98 98 GLY HA3 H 1 4.068 0.020 . 2 . . . . A 98 GLY HA3 . 34764 1 203 . 1 . 1 98 98 GLY C C 13 172.247 0.3 . 1 . . . . A 98 GLY C . 34764 1 204 . 1 . 1 98 98 GLY CA C 13 44.749 0.3 . 1 . . . . A 98 GLY CA . 34764 1 205 . 1 . 1 98 98 GLY N N 15 112.960 0.3 . 1 . . . . A 98 GLY N . 34764 1 206 . 1 . 1 99 99 TYR H H 1 7.645 0.020 . 1 . . . . A 99 TYR H . 34764 1 207 . 1 . 1 99 99 TYR HA H 1 5.010 0.020 . 1 . . . . A 99 TYR HA . 34764 1 208 . 1 . 1 99 99 TYR HB2 H 1 2.527 0.020 . 1 . . . . A 99 TYR HB2 . 34764 1 209 . 1 . 1 99 99 TYR HB3 H 1 2.527 0.020 . 1 . . . . A 99 TYR HB3 . 34764 1 210 . 1 . 1 99 99 TYR HD1 H 1 6.795 0.020 . 1 . . . . A 99 TYR HD1 . 34764 1 211 . 1 . 1 99 99 TYR HD2 H 1 6.795 0.020 . 1 . . . . A 99 TYR HD2 . 34764 1 212 . 1 . 1 99 99 TYR HE1 H 1 6.945 0.020 . 1 . . . . A 99 TYR HE1 . 34764 1 213 . 1 . 1 99 99 TYR HE2 H 1 6.945 0.020 . 1 . . . . A 99 TYR HE2 . 34764 1 214 . 1 . 1 99 99 TYR C C 13 174.437 0.3 . 1 . . . . A 99 TYR C . 34764 1 215 . 1 . 1 99 99 TYR CA C 13 55.774 0.3 . 1 . . . . A 99 TYR CA . 34764 1 216 . 1 . 1 99 99 TYR CB C 13 42.776 0.3 . 1 . . . . A 99 TYR CB . 34764 1 217 . 1 . 1 99 99 TYR CD1 C 13 133.764 0.3 . 1 . . . . A 99 TYR CD1 . 34764 1 218 . 1 . 1 99 99 TYR CE1 C 13 118.709 0.3 . 1 . . . . A 99 TYR CE1 . 34764 1 219 . 1 . 1 99 99 TYR N N 15 115.803 0.3 . 1 . . . . A 99 TYR N . 34764 1 220 . 1 . 1 100 100 ILE H H 1 10.090 0.020 . 1 . . . . A 100 ILE H . 34764 1 221 . 1 . 1 100 100 ILE HA H 1 4.839 0.020 . 1 . . . . A 100 ILE HA . 34764 1 222 . 1 . 1 100 100 ILE HB H 1 1.930 0.020 . 1 . . . . A 100 ILE HB . 34764 1 223 . 1 . 1 100 100 ILE HG12 H 1 1.184 0.020 . 2 . . . . A 100 ILE HG12 . 34764 1 224 . 1 . 1 100 100 ILE HG13 H 1 0.356 0.020 . 2 . . . . A 100 ILE HG13 . 34764 1 225 . 1 . 1 100 100 ILE HG21 H 1 0.954 0.020 . 1 . . . . A 100 ILE HG21 . 34764 1 226 . 1 . 1 100 100 ILE HG22 H 1 0.954 0.020 . 1 . . . . A 100 ILE HG22 . 34764 1 227 . 1 . 1 100 100 ILE HG23 H 1 0.954 0.020 . 1 . . . . A 100 ILE HG23 . 34764 1 228 . 1 . 1 100 100 ILE HD11 H 1 0.275 0.020 . 1 . . . . A 100 ILE HD11 . 34764 1 229 . 1 . 1 100 100 ILE HD12 H 1 0.275 0.020 . 1 . . . . A 100 ILE HD12 . 34764 1 230 . 1 . 1 100 100 ILE HD13 H 1 0.275 0.020 . 1 . . . . A 100 ILE HD13 . 34764 1 231 . 1 . 1 100 100 ILE C C 13 175.538 0.3 . 1 . . . . A 100 ILE C . 34764 1 232 . 1 . 1 100 100 ILE CA C 13 59.800 0.3 . 1 . . . . A 100 ILE CA . 34764 1 233 . 1 . 1 100 100 ILE CB C 13 37.934 0.3 . 1 . . . . A 100 ILE CB . 34764 1 234 . 1 . 1 100 100 ILE CG1 C 13 26.747 0.3 . 1 . . . . A 100 ILE CG1 . 34764 1 235 . 1 . 1 100 100 ILE CG2 C 13 18.068 0.3 . 1 . . . . A 100 ILE CG2 . 34764 1 236 . 1 . 1 100 100 ILE CD1 C 13 14.688 0.3 . 1 . . . . A 100 ILE CD1 . 34764 1 237 . 1 . 1 100 100 ILE N N 15 127.219 0.3 . 1 . . . . A 100 ILE N . 34764 1 238 . 1 . 1 101 101 SER H H 1 9.091 0.020 . 1 . . . . A 101 SER H . 34764 1 239 . 1 . 1 101 101 SER HA H 1 4.782 0.020 . 1 . . . . A 101 SER HA . 34764 1 240 . 1 . 1 101 101 SER HB2 H 1 4.438 0.020 . 2 . . . . A 101 SER HB2 . 34764 1 241 . 1 . 1 101 101 SER HB3 H 1 4.015 0.020 . 2 . . . . A 101 SER HB3 . 34764 1 242 . 1 . 1 101 101 SER C C 13 174.996 0.3 . 1 . . . . A 101 SER C . 34764 1 243 . 1 . 1 101 101 SER CA C 13 55.745 0.3 . 1 . . . . A 101 SER CA . 34764 1 244 . 1 . 1 101 101 SER CB C 13 65.968 0.3 . 1 . . . . A 101 SER CB . 34764 1 245 . 1 . 1 101 101 SER N N 15 124.363 0.3 . 1 . . . . A 101 SER N . 34764 1 246 . 1 . 1 102 102 ALA H H 1 9.256 0.020 . 1 . . . . A 102 ALA H . 34764 1 247 . 1 . 1 102 102 ALA HA H 1 3.971 0.020 . 1 . . . . A 102 ALA HA . 34764 1 248 . 1 . 1 102 102 ALA HB1 H 1 1.496 0.020 . 1 . . . . A 102 ALA HB1 . 34764 1 249 . 1 . 1 102 102 ALA HB2 H 1 1.496 0.020 . 1 . . . . A 102 ALA HB2 . 34764 1 250 . 1 . 1 102 102 ALA HB3 H 1 1.496 0.020 . 1 . . . . A 102 ALA HB3 . 34764 1 251 . 1 . 1 102 102 ALA C C 13 179.372 0.3 . 1 . . . . A 102 ALA C . 34764 1 252 . 1 . 1 102 102 ALA CA C 13 55.612 0.3 . 1 . . . . A 102 ALA CA . 34764 1 253 . 1 . 1 102 102 ALA CB C 13 17.486 0.3 . 1 . . . . A 102 ALA CB . 34764 1 254 . 1 . 1 102 102 ALA N N 15 123.077 0.3 . 1 . . . . A 102 ALA N . 34764 1 255 . 1 . 1 103 103 ALA H H 1 8.308 0.020 . 1 . . . . A 103 ALA H . 34764 1 256 . 1 . 1 103 103 ALA HA H 1 4.058 0.020 . 1 . . . . A 103 ALA HA . 34764 1 257 . 1 . 1 103 103 ALA HB1 H 1 1.439 0.020 . 1 . . . . A 103 ALA HB1 . 34764 1 258 . 1 . 1 103 103 ALA HB2 H 1 1.439 0.020 . 1 . . . . A 103 ALA HB2 . 34764 1 259 . 1 . 1 103 103 ALA HB3 H 1 1.439 0.020 . 1 . . . . A 103 ALA HB3 . 34764 1 260 . 1 . 1 103 103 ALA C C 13 181.226 0.3 . 1 . . . . A 103 ALA C . 34764 1 261 . 1 . 1 103 103 ALA CA C 13 54.778 0.3 . 1 . . . . A 103 ALA CA . 34764 1 262 . 1 . 1 103 103 ALA CB C 13 17.991 0.3 . 1 . . . . A 103 ALA CB . 34764 1 263 . 1 . 1 103 103 ALA N N 15 118.667 0.3 . 1 . . . . A 103 ALA N . 34764 1 264 . 1 . 1 104 104 GLU H H 1 7.953 0.020 . 1 . . . . A 104 GLU H . 34764 1 265 . 1 . 1 104 104 GLU HA H 1 4.106 0.020 . 1 . . . . A 104 GLU HA . 34764 1 266 . 1 . 1 104 104 GLU HB2 H 1 2.544 0.020 . 1 . . . . A 104 GLU HB2 . 34764 1 267 . 1 . 1 104 104 GLU HB3 H 1 2.544 0.020 . 1 . . . . A 104 GLU HB3 . 34764 1 268 . 1 . 1 104 104 GLU C C 13 179.672 0.3 . 1 . . . . A 104 GLU C . 34764 1 269 . 1 . 1 104 104 GLU CA C 13 58.604 0.3 . 1 . . . . A 104 GLU CA . 34764 1 270 . 1 . 1 104 104 GLU CB C 13 29.070 0.3 . 1 . . . . A 104 GLU CB . 34764 1 271 . 1 . 1 104 104 GLU CG C 13 37.783 0.3 . 1 . . . . A 104 GLU CG . 34764 1 272 . 1 . 1 104 104 GLU N N 15 119.943 0.3 . 1 . . . . A 104 GLU N . 34764 1 273 . 1 . 1 105 105 LEU H H 1 8.671 0.020 . 1 . . . . A 105 LEU H . 34764 1 274 . 1 . 1 105 105 LEU HA H 1 4.110 0.020 . 1 . . . . A 105 LEU HA . 34764 1 275 . 1 . 1 105 105 LEU HB2 H 1 1.609 0.020 . 2 . . . . A 105 LEU HB2 . 34764 1 276 . 1 . 1 105 105 LEU HB3 H 1 1.859 0.020 . 2 . . . . A 105 LEU HB3 . 34764 1 277 . 1 . 1 105 105 LEU HD11 H 1 0.887 0.020 . 1 . . . . A 105 LEU HD11 . 34764 1 278 . 1 . 1 105 105 LEU HD12 H 1 0.887 0.020 . 1 . . . . A 105 LEU HD12 . 34764 1 279 . 1 . 1 105 105 LEU HD13 H 1 0.887 0.020 . 1 . . . . A 105 LEU HD13 . 34764 1 280 . 1 . 1 105 105 LEU HD21 H 1 0.900 0.020 . 1 . . . . A 105 LEU HD21 . 34764 1 281 . 1 . 1 105 105 LEU HD22 H 1 0.900 0.020 . 1 . . . . A 105 LEU HD22 . 34764 1 282 . 1 . 1 105 105 LEU HD23 H 1 0.900 0.020 . 1 . . . . A 105 LEU HD23 . 34764 1 283 . 1 . 1 105 105 LEU C C 13 178.633 0.3 . 1 . . . . A 105 LEU C . 34764 1 284 . 1 . 1 105 105 LEU CA C 13 57.620 0.3 . 1 . . . . A 105 LEU CA . 34764 1 285 . 1 . 1 105 105 LEU CB C 13 41.620 0.3 . 1 . . . . A 105 LEU CB . 34764 1 286 . 1 . 1 105 105 LEU CD1 C 13 24.091 0.3 . 1 . . . . A 105 LEU CD1 . 34764 1 287 . 1 . 1 105 105 LEU CD2 C 13 25.552 0.3 . 1 . . . . A 105 LEU CD2 . 34764 1 288 . 1 . 1 105 105 LEU N N 15 121.396 0.3 . 1 . . . . A 105 LEU N . 34764 1 289 . 1 . 1 106 106 ARG HA H 1 3.815 0.020 . 1 . . . . A 106 ARG HA . 34764 1 290 . 1 . 1 106 106 ARG CA C 13 59.485 0.3 . 1 . . . . A 106 ARG CA . 34764 1 291 . 1 . 1 107 107 HIS HA H 1 4.351 0.020 . 1 . . . . A 107 HIS HA . 34764 1 292 . 1 . 1 107 107 HIS HB2 H 1 3.320 0.020 . 1 . . . . A 107 HIS HB2 . 34764 1 293 . 1 . 1 107 107 HIS HB3 H 1 3.320 0.020 . 1 . . . . A 107 HIS HB3 . 34764 1 294 . 1 . 1 107 107 HIS HD2 H 1 7.057 0.020 . 1 . . . . A 107 HIS HD2 . 34764 1 295 . 1 . 1 107 107 HIS HE1 H 1 7.952 0.020 . 1 . . . . A 107 HIS HE1 . 34764 1 296 . 1 . 1 107 107 HIS C C 13 177.128 0.3 . 1 . . . . A 107 HIS C . 34764 1 297 . 1 . 1 107 107 HIS CA C 13 58.897 0.3 . 1 . . . . A 107 HIS CA . 34764 1 298 . 1 . 1 107 107 HIS CB C 13 29.738 0.3 . 1 . . . . A 107 HIS CB . 34764 1 299 . 1 . 1 107 107 HIS CD2 C 13 120.598 0.3 . 1 . . . . A 107 HIS CD2 . 34764 1 300 . 1 . 1 107 107 HIS CE1 C 13 139.119 0.3 . 1 . . . . A 107 HIS CE1 . 34764 1 301 . 1 . 1 108 108 VAL H H 1 7.486 0.020 . 1 . . . . A 108 VAL H . 34764 1 302 . 1 . 1 108 108 VAL HA H 1 3.543 0.020 . 1 . . . . A 108 VAL HA . 34764 1 303 . 1 . 1 108 108 VAL HB H 1 1.984 0.020 . 1 . . . . A 108 VAL HB . 34764 1 304 . 1 . 1 108 108 VAL HG11 H 1 0.704 0.020 . 1 . . . . A 108 VAL HG11 . 34764 1 305 . 1 . 1 108 108 VAL HG12 H 1 0.704 0.020 . 1 . . . . A 108 VAL HG12 . 34764 1 306 . 1 . 1 108 108 VAL HG13 H 1 0.704 0.020 . 1 . . . . A 108 VAL HG13 . 34764 1 307 . 1 . 1 108 108 VAL HG21 H 1 0.516 0.020 . 1 . . . . A 108 VAL HG21 . 34764 1 308 . 1 . 1 108 108 VAL HG22 H 1 0.516 0.020 . 1 . . . . A 108 VAL HG22 . 34764 1 309 . 1 . 1 108 108 VAL HG23 H 1 0.516 0.020 . 1 . . . . A 108 VAL HG23 . 34764 1 310 . 1 . 1 108 108 VAL C C 13 178.206 0.3 . 1 . . . . A 108 VAL C . 34764 1 311 . 1 . 1 108 108 VAL CA C 13 64.945 0.3 . 1 . . . . A 108 VAL CA . 34764 1 312 . 1 . 1 108 108 VAL CB C 13 31.827 0.3 . 1 . . . . A 108 VAL CB . 34764 1 313 . 1 . 1 108 108 VAL CG1 C 13 21.976 0.3 . 1 . . . . A 108 VAL CG1 . 34764 1 314 . 1 . 1 108 108 VAL CG2 C 13 20.531 0.3 . 1 . . . . A 108 VAL CG2 . 34764 1 315 . 1 . 1 108 108 VAL N N 15 117.287 0.3 . 1 . . . . A 108 VAL N . 34764 1 316 . 1 . 1 109 109 MET H H 1 8.356 0.020 . 1 . . . . A 109 MET H . 34764 1 317 . 1 . 1 109 109 MET HA H 1 4.286 0.020 . 1 . . . . A 109 MET HA . 34764 1 318 . 1 . 1 109 109 MET HB2 H 1 2.113 0.020 . 2 . . . . A 109 MET HB2 . 34764 1 319 . 1 . 1 109 109 MET HB3 H 1 2.040 0.020 . 2 . . . . A 109 MET HB3 . 34764 1 320 . 1 . 1 109 109 MET HG2 H 1 2.685 0.020 . 1 . . . . A 109 MET HG2 . 34764 1 321 . 1 . 1 109 109 MET HE1 H 1 2.070 0.020 . 1 . . . . A 109 MET HE1 . 34764 1 322 . 1 . 1 109 109 MET HE2 H 1 2.070 0.020 . 1 . . . . A 109 MET HE2 . 34764 1 323 . 1 . 1 109 109 MET HE3 H 1 2.070 0.020 . 1 . . . . A 109 MET HE3 . 34764 1 324 . 1 . 1 109 109 MET C C 13 178.119 0.3 . 1 . . . . A 109 MET C . 34764 1 325 . 1 . 1 109 109 MET CA C 13 56.696 0.3 . 1 . . . . A 109 MET CA . 34764 1 326 . 1 . 1 109 109 MET CB C 13 31.467 0.3 . 1 . . . . A 109 MET CB . 34764 1 327 . 1 . 1 109 109 MET CG C 13 32.561 0.3 . 1 . . . . A 109 MET CG . 34764 1 328 . 1 . 1 109 109 MET CE C 13 16.910 0.3 . 1 . . . . A 109 MET CE . 34764 1 329 . 1 . 1 109 109 MET N N 15 116.333 0.3 . 1 . . . . A 109 MET N . 34764 1 330 . 1 . 1 110 110 THR H H 1 8.092 0.020 . 1 . . . . A 110 THR H . 34764 1 331 . 1 . 1 110 110 THR HA H 1 4.181 0.020 . 1 . . . . A 110 THR HA . 34764 1 332 . 1 . 1 110 110 THR HB H 1 4.281 0.020 . 1 . . . . A 110 THR HB . 34764 1 333 . 1 . 1 110 110 THR HG21 H 1 1.283 0.020 . 1 . . . . A 110 THR HG21 . 34764 1 334 . 1 . 1 110 110 THR HG22 H 1 1.283 0.020 . 1 . . . . A 110 THR HG22 . 34764 1 335 . 1 . 1 110 110 THR HG23 H 1 1.283 0.020 . 1 . . . . A 110 THR HG23 . 34764 1 336 . 1 . 1 110 110 THR C C 13 175.132 0.3 . 1 . . . . A 110 THR C . 34764 1 337 . 1 . 1 110 110 THR CA C 13 64.560 0.3 . 1 . . . . A 110 THR CA . 34764 1 338 . 1 . 1 110 110 THR CB C 13 68.819 0.3 . 1 . . . . A 110 THR CB . 34764 1 339 . 1 . 1 110 110 THR CG2 C 13 21.509 0.3 . 1 . . . . A 110 THR CG2 . 34764 1 340 . 1 . 1 110 110 THR N N 15 113.148 0.3 . 1 . . . . A 110 THR N . 34764 1 341 . 1 . 1 111 111 ASN H H 1 7.581 0.020 . 1 . . . . A 111 ASN H . 34764 1 342 . 1 . 1 111 111 ASN HD21 H 1 7.593 0.020 . 1 . . . . A 111 ASN HD21 . 34764 1 343 . 1 . 1 111 111 ASN HD22 H 1 6.866 0.020 . 1 . . . . A 111 ASN HD22 . 34764 1 344 . 1 . 1 111 111 ASN C C 13 175.702 0.3 . 1 . . . . A 111 ASN C . 34764 1 345 . 1 . 1 111 111 ASN CA C 13 54.384 0.3 . 1 . . . . A 111 ASN CA . 34764 1 346 . 1 . 1 111 111 ASN CB C 13 38.954 0.3 . 1 . . . . A 111 ASN CB . 34764 1 347 . 1 . 1 111 111 ASN N N 15 118.100 0.3 . 1 . . . . A 111 ASN N . 34764 1 348 . 1 . 1 111 111 ASN ND2 N 15 113.192 0.3 . 1 . . . . A 111 ASN ND2 . 34764 1 349 . 1 . 1 112 112 LEU HA H 1 4.324 0.020 . 1 . . . . A 112 LEU HA . 34764 1 350 . 1 . 1 112 112 LEU HB2 H 1 1.778 0.020 . 2 . . . . A 112 LEU HB2 . 34764 1 351 . 1 . 1 112 112 LEU HB3 H 1 1.648 0.020 . 2 . . . . A 112 LEU HB3 . 34764 1 352 . 1 . 1 112 112 LEU HD11 H 1 0.917 0.020 . 1 . . . . A 112 LEU HD11 . 34764 1 353 . 1 . 1 112 112 LEU HD12 H 1 0.917 0.020 . 1 . . . . A 112 LEU HD12 . 34764 1 354 . 1 . 1 112 112 LEU HD13 H 1 0.917 0.020 . 1 . . . . A 112 LEU HD13 . 34764 1 355 . 1 . 1 112 112 LEU HD21 H 1 0.856 0.020 . 1 . . . . A 112 LEU HD21 . 34764 1 356 . 1 . 1 112 112 LEU HD22 H 1 0.856 0.020 . 1 . . . . A 112 LEU HD22 . 34764 1 357 . 1 . 1 112 112 LEU HD23 H 1 0.856 0.020 . 1 . . . . A 112 LEU HD23 . 34764 1 358 . 1 . 1 112 112 LEU CB C 13 42.671 0.3 . 1 . . . . A 112 LEU CB . 34764 1 359 . 1 . 1 112 112 LEU CD1 C 13 25.141 0.3 . 1 . . . . A 112 LEU CD1 . 34764 1 360 . 1 . 1 112 112 LEU CD2 C 13 22.369 0.3 . 1 . . . . A 112 LEU CD2 . 34764 1 361 . 1 . 1 113 113 ARG HA H 1 4.924 0.020 . 1 . . . . A 113 ARG HA . 34764 1 362 . 1 . 1 113 113 ARG HB2 H 1 2.790 0.020 . 1 . . . . A 113 ARG HB2 . 34764 1 363 . 1 . 1 113 113 ARG HB3 H 1 2.790 0.020 . 1 . . . . A 113 ARG HB3 . 34764 1 364 . 1 . 1 113 113 ARG C C 13 175.760 0.3 . 1 . . . . A 113 ARG C . 34764 1 365 . 1 . 1 113 113 ARG CA C 13 54.247 0.3 . 1 . . . . A 113 ARG CA . 34764 1 366 . 1 . 1 113 113 ARG CB C 13 39.055 0.3 . 1 . . . . A 113 ARG CB . 34764 1 367 . 1 . 1 114 114 GLU H H 1 7.704 0.020 . 1 . . . . A 114 GLU H . 34764 1 368 . 1 . 1 114 114 GLU HA H 1 4.342 0.020 . 1 . . . . A 114 GLU HA . 34764 1 369 . 1 . 1 114 114 GLU C C 13 177.086 0.3 . 1 . . . . A 114 GLU C . 34764 1 370 . 1 . 1 114 114 GLU CA C 13 55.406 0.3 . 1 . . . . A 114 GLU CA . 34764 1 371 . 1 . 1 114 114 GLU N N 15 118.687 0.3 . 1 . . . . A 114 GLU N . 34764 1 372 . 1 . 1 115 115 LYS H H 1 8.022 0.020 . 1 . . . . A 115 LYS H . 34764 1 373 . 1 . 1 115 115 LYS HA H 1 4.303 0.020 . 1 . . . . A 115 LYS HA . 34764 1 374 . 1 . 1 115 115 LYS HB2 H 1 1.866 0.020 . 2 . . . . A 115 LYS HB2 . 34764 1 375 . 1 . 1 115 115 LYS HB3 H 1 1.760 0.020 . 2 . . . . A 115 LYS HB3 . 34764 1 376 . 1 . 1 115 115 LYS HG2 H 1 1.408 0.020 . 1 . . . . A 115 LYS HG2 . 34764 1 377 . 1 . 1 115 115 LYS C C 13 175.769 0.3 . 1 . . . . A 115 LYS C . 34764 1 378 . 1 . 1 115 115 LYS CA C 13 55.700 0.3 . 1 . . . . A 115 LYS CA . 34764 1 379 . 1 . 1 115 115 LYS CB C 13 32.498 0.3 . 1 . . . . A 115 LYS CB . 34764 1 380 . 1 . 1 115 115 LYS CG C 13 24.287 0.3 . 1 . . . . A 115 LYS CG . 34764 1 381 . 1 . 1 115 115 LYS CD C 13 28.788 0.3 . 1 . . . . A 115 LYS CD . 34764 1 382 . 1 . 1 115 115 LYS CE C 13 42.096 0.3 . 1 . . . . A 115 LYS CE . 34764 1 383 . 1 . 1 115 115 LYS N N 15 117.997 0.3 . 1 . . . . A 115 LYS N . 34764 1 384 . 1 . 1 116 116 LEU H H 1 7.979 0.020 . 1 . . . . A 116 LEU H . 34764 1 385 . 1 . 1 116 116 LEU HA H 1 4.659 0.020 . 1 . . . . A 116 LEU HA . 34764 1 386 . 1 . 1 116 116 LEU HB2 H 1 1.624 0.020 . 2 . . . . A 116 LEU HB2 . 34764 1 387 . 1 . 1 116 116 LEU HB3 H 1 1.446 0.020 . 2 . . . . A 116 LEU HB3 . 34764 1 388 . 1 . 1 116 116 LEU HD11 H 1 0.855 0.020 . 1 . . . . A 116 LEU HD11 . 34764 1 389 . 1 . 1 116 116 LEU HD12 H 1 0.855 0.020 . 1 . . . . A 116 LEU HD12 . 34764 1 390 . 1 . 1 116 116 LEU HD13 H 1 0.855 0.020 . 1 . . . . A 116 LEU HD13 . 34764 1 391 . 1 . 1 116 116 LEU HD21 H 1 0.802 0.020 . 1 . . . . A 116 LEU HD21 . 34764 1 392 . 1 . 1 116 116 LEU HD22 H 1 0.802 0.020 . 1 . . . . A 116 LEU HD22 . 34764 1 393 . 1 . 1 116 116 LEU HD23 H 1 0.802 0.020 . 1 . . . . A 116 LEU HD23 . 34764 1 394 . 1 . 1 116 116 LEU C C 13 177.417 0.3 . 1 . . . . A 116 LEU C . 34764 1 395 . 1 . 1 116 116 LEU CA C 13 54.086 0.3 . 1 . . . . A 116 LEU CA . 34764 1 396 . 1 . 1 116 116 LEU CB C 13 43.832 0.3 . 1 . . . . A 116 LEU CB . 34764 1 397 . 1 . 1 116 116 LEU CD1 C 13 25.420 0.3 . 1 . . . . A 116 LEU CD1 . 34764 1 398 . 1 . 1 116 116 LEU CD2 C 13 24.483 0.3 . 1 . . . . A 116 LEU CD2 . 34764 1 399 . 1 . 1 116 116 LEU N N 15 123.256 0.3 . 1 . . . . A 116 LEU N . 34764 1 400 . 1 . 1 117 117 THR H H 1 8.932 0.020 . 1 . . . . A 117 THR H . 34764 1 401 . 1 . 1 117 117 THR HA H 1 4.544 0.020 . 1 . . . . A 117 THR HA . 34764 1 402 . 1 . 1 117 117 THR HB H 1 4.735 0.020 . 1 . . . . A 117 THR HB . 34764 1 403 . 1 . 1 117 117 THR HG21 H 1 1.340 0.020 . 1 . . . . A 117 THR HG21 . 34764 1 404 . 1 . 1 117 117 THR HG22 H 1 1.340 0.020 . 1 . . . . A 117 THR HG22 . 34764 1 405 . 1 . 1 117 117 THR HG23 H 1 1.340 0.020 . 1 . . . . A 117 THR HG23 . 34764 1 406 . 1 . 1 117 117 THR C C 13 175.361 0.3 . 1 . . . . A 117 THR C . 34764 1 407 . 1 . 1 117 117 THR CA C 13 60.172 0.3 . 1 . . . . A 117 THR CA . 34764 1 408 . 1 . 1 117 117 THR CB C 13 71.063 0.3 . 1 . . . . A 117 THR CB . 34764 1 409 . 1 . 1 117 117 THR CG2 C 13 21.437 0.3 . 1 . . . . A 117 THR CG2 . 34764 1 410 . 1 . 1 117 117 THR N N 15 115.069 0.3 . 1 . . . . A 117 THR N . 34764 1 411 . 1 . 1 118 118 ASP H H 1 8.900 0.020 . 1 . . . . A 118 ASP H . 34764 1 412 . 1 . 1 118 118 ASP HA H 1 4.223 0.020 . 1 . . . . A 118 ASP HA . 34764 1 413 . 1 . 1 118 118 ASP HB2 H 1 2.597 0.020 . 2 . . . . A 118 ASP HB2 . 34764 1 414 . 1 . 1 118 118 ASP HB3 H 1 2.731 0.020 . 2 . . . . A 118 ASP HB3 . 34764 1 415 . 1 . 1 118 118 ASP C C 13 178.464 0.3 . 1 . . . . A 118 ASP C . 34764 1 416 . 1 . 1 118 118 ASP CA C 13 57.526 0.3 . 1 . . . . A 118 ASP CA . 34764 1 417 . 1 . 1 118 118 ASP CB C 13 39.465 0.3 . 1 . . . . A 118 ASP CB . 34764 1 418 . 1 . 1 118 118 ASP N N 15 121.173 0.3 . 1 . . . . A 118 ASP N . 34764 1 419 . 1 . 1 119 119 GLU H H 1 8.752 0.020 . 1 . . . . A 119 GLU H . 34764 1 420 . 1 . 1 119 119 GLU HA H 1 4.112 0.020 . 1 . . . . A 119 GLU HA . 34764 1 421 . 1 . 1 119 119 GLU HB2 H 1 2.082 0.020 . 2 . . . . A 119 GLU HB2 . 34764 1 422 . 1 . 1 119 119 GLU HB3 H 1 1.970 0.020 . 2 . . . . A 119 GLU HB3 . 34764 1 423 . 1 . 1 119 119 GLU HG2 H 1 2.387 0.020 . 2 . . . . A 119 GLU HG2 . 34764 1 424 . 1 . 1 119 119 GLU HG3 H 1 2.326 0.020 . 2 . . . . A 119 GLU HG3 . 34764 1 425 . 1 . 1 119 119 GLU C C 13 179.158 0.3 . 1 . . . . A 119 GLU C . 34764 1 426 . 1 . 1 119 119 GLU CA C 13 59.544 0.3 . 1 . . . . A 119 GLU CA . 34764 1 427 . 1 . 1 119 119 GLU CB C 13 28.742 0.3 . 1 . . . . A 119 GLU CB . 34764 1 428 . 1 . 1 119 119 GLU CG C 13 36.746 0.3 . 1 . . . . A 119 GLU CG . 34764 1 429 . 1 . 1 119 119 GLU N N 15 119.071 0.3 . 1 . . . . A 119 GLU N . 34764 1 430 . 1 . 1 120 120 GLU H H 1 7.785 0.020 . 1 . . . . A 120 GLU H . 34764 1 431 . 1 . 1 120 120 GLU HA H 1 4.029 0.020 . 1 . . . . A 120 GLU HA . 34764 1 432 . 1 . 1 120 120 GLU HB2 H 1 1.916 0.020 . 2 . . . . A 120 GLU HB2 . 34764 1 433 . 1 . 1 120 120 GLU HB3 H 1 1.841 0.020 . 2 . . . . A 120 GLU HB3 . 34764 1 434 . 1 . 1 120 120 GLU HG2 H 1 2.358 0.020 . 2 . . . . A 120 GLU HG2 . 34764 1 435 . 1 . 1 120 120 GLU HG3 H 1 2.272 0.020 . 2 . . . . A 120 GLU HG3 . 34764 1 436 . 1 . 1 120 120 GLU C C 13 179.840 0.3 . 1 . . . . A 120 GLU C . 34764 1 437 . 1 . 1 120 120 GLU CA C 13 58.776 0.3 . 1 . . . . A 120 GLU CA . 34764 1 438 . 1 . 1 120 120 GLU CB C 13 30.329 0.3 . 1 . . . . A 120 GLU CB . 34764 1 439 . 1 . 1 120 120 GLU CG C 13 37.382 0.3 . 1 . . . . A 120 GLU CG . 34764 1 440 . 1 . 1 120 120 GLU N N 15 120.425 0.3 . 1 . . . . A 120 GLU N . 34764 1 441 . 1 . 1 121 121 VAL H H 1 8.044 0.020 . 1 . . . . A 121 VAL H . 34764 1 442 . 1 . 1 121 121 VAL HA H 1 3.600 0.020 . 1 . . . . A 121 VAL HA . 34764 1 443 . 1 . 1 121 121 VAL HB H 1 2.259 0.020 . 1 . . . . A 121 VAL HB . 34764 1 444 . 1 . 1 121 121 VAL HG11 H 1 0.992 0.020 . 1 . . . . A 121 VAL HG11 . 34764 1 445 . 1 . 1 121 121 VAL HG12 H 1 0.992 0.020 . 1 . . . . A 121 VAL HG12 . 34764 1 446 . 1 . 1 121 121 VAL HG13 H 1 0.992 0.020 . 1 . . . . A 121 VAL HG13 . 34764 1 447 . 1 . 1 121 121 VAL HG21 H 1 0.985 0.020 . 1 . . . . A 121 VAL HG21 . 34764 1 448 . 1 . 1 121 121 VAL HG22 H 1 0.985 0.020 . 1 . . . . A 121 VAL HG22 . 34764 1 449 . 1 . 1 121 121 VAL HG23 H 1 0.985 0.020 . 1 . . . . A 121 VAL HG23 . 34764 1 450 . 1 . 1 121 121 VAL C C 13 177.086 0.3 . 1 . . . . A 121 VAL C . 34764 1 451 . 1 . 1 121 121 VAL CA C 13 66.563 0.3 . 1 . . . . A 121 VAL CA . 34764 1 452 . 1 . 1 121 121 VAL CB C 13 30.937 0.3 . 1 . . . . A 121 VAL CB . 34764 1 453 . 1 . 1 121 121 VAL CG1 C 13 21.719 0.3 . 1 . . . . A 121 VAL CG1 . 34764 1 454 . 1 . 1 121 121 VAL CG2 C 13 23.553 0.3 . 1 . . . . A 121 VAL CG2 . 34764 1 455 . 1 . 1 121 121 VAL N N 15 121.416 0.3 . 1 . . . . A 121 VAL N . 34764 1 456 . 1 . 1 122 122 ASP H H 1 8.150 0.020 . 1 . . . . A 122 ASP H . 34764 1 457 . 1 . 1 122 122 ASP HA H 1 4.339 0.020 . 1 . . . . A 122 ASP HA . 34764 1 458 . 1 . 1 122 122 ASP HB2 H 1 2.790 0.020 . 2 . . . . A 122 ASP HB2 . 34764 1 459 . 1 . 1 122 122 ASP HB3 H 1 2.623 0.020 . 2 . . . . A 122 ASP HB3 . 34764 1 460 . 1 . 1 122 122 ASP C C 13 179.151 0.3 . 1 . . . . A 122 ASP C . 34764 1 461 . 1 . 1 122 122 ASP CA C 13 57.237 0.3 . 1 . . . . A 122 ASP CA . 34764 1 462 . 1 . 1 122 122 ASP CB C 13 39.932 0.3 . 1 . . . . A 122 ASP CB . 34764 1 463 . 1 . 1 122 122 ASP N N 15 119.632 0.3 . 1 . . . . A 122 ASP N . 34764 1 464 . 1 . 1 123 123 GLU H H 1 7.973 0.020 . 1 . . . . A 123 GLU H . 34764 1 465 . 1 . 1 123 123 GLU CA C 13 58.002 0.3 . 1 . . . . A 123 GLU CA . 34764 1 466 . 1 . 1 123 123 GLU N N 15 119.624 0.3 . 1 . . . . A 123 GLU N . 34764 1 467 . 1 . 1 124 124 MET HA H 1 4.066 0.020 . 1 . . . . A 124 MET HA . 34764 1 468 . 1 . 1 124 124 MET HB2 H 1 2.316 0.020 . 2 . . . . A 124 MET HB2 . 34764 1 469 . 1 . 1 124 124 MET HB3 H 1 2.066 0.020 . 2 . . . . A 124 MET HB3 . 34764 1 470 . 1 . 1 124 124 MET HG2 H 1 2.523 0.020 . 2 . . . . A 124 MET HG2 . 34764 1 471 . 1 . 1 124 124 MET HG3 H 1 2.759 0.020 . 2 . . . . A 124 MET HG3 . 34764 1 472 . 1 . 1 124 124 MET HE1 H 1 1.874 0.020 . 1 . . . . A 124 MET HE1 . 34764 1 473 . 1 . 1 124 124 MET HE2 H 1 1.874 0.020 . 1 . . . . A 124 MET HE2 . 34764 1 474 . 1 . 1 124 124 MET HE3 H 1 1.874 0.020 . 1 . . . . A 124 MET HE3 . 34764 1 475 . 1 . 1 124 124 MET C C 13 179.220 0.3 . 1 . . . . A 124 MET C . 34764 1 476 . 1 . 1 124 124 MET CA C 13 59.029 0.3 . 1 . . . . A 124 MET CA . 34764 1 477 . 1 . 1 124 124 MET CB C 13 32.924 0.3 . 1 . . . . A 124 MET CB . 34764 1 478 . 1 . 1 124 124 MET CG C 13 31.947 0.3 . 1 . . . . A 124 MET CG . 34764 1 479 . 1 . 1 124 124 MET CE C 13 16.753 0.3 . 1 . . . . A 124 MET CE . 34764 1 480 . 1 . 1 125 125 ILE H H 1 8.023 0.020 . 1 . . . . A 125 ILE H . 34764 1 481 . 1 . 1 125 125 ILE HA H 1 3.526 0.020 . 1 . . . . A 125 ILE HA . 34764 1 482 . 1 . 1 125 125 ILE HB H 1 2.063 0.020 . 1 . . . . A 125 ILE HB . 34764 1 483 . 1 . 1 125 125 ILE HG12 H 1 1.215 0.020 . 1 . . . . A 125 ILE HG12 . 34764 1 484 . 1 . 1 125 125 ILE HG21 H 1 0.784 0.020 . 1 . . . . A 125 ILE HG21 . 34764 1 485 . 1 . 1 125 125 ILE HG22 H 1 0.784 0.020 . 1 . . . . A 125 ILE HG22 . 34764 1 486 . 1 . 1 125 125 ILE HG23 H 1 0.784 0.020 . 1 . . . . A 125 ILE HG23 . 34764 1 487 . 1 . 1 125 125 ILE HD11 H 1 0.772 0.020 . 1 . . . . A 125 ILE HD11 . 34764 1 488 . 1 . 1 125 125 ILE HD12 H 1 0.772 0.020 . 1 . . . . A 125 ILE HD12 . 34764 1 489 . 1 . 1 125 125 ILE HD13 H 1 0.772 0.020 . 1 . . . . A 125 ILE HD13 . 34764 1 490 . 1 . 1 125 125 ILE C C 13 176.912 0.3 . 1 . . . . A 125 ILE C . 34764 1 491 . 1 . 1 125 125 ILE CA C 13 63.789 0.3 . 1 . . . . A 125 ILE CA . 34764 1 492 . 1 . 1 125 125 ILE CB C 13 36.362 0.3 . 1 . . . . A 125 ILE CB . 34764 1 493 . 1 . 1 125 125 ILE CG1 C 13 28.271 0.3 . 1 . . . . A 125 ILE CG1 . 34764 1 494 . 1 . 1 125 125 ILE CG2 C 13 16.100 0.3 . 1 . . . . A 125 ILE CG2 . 34764 1 495 . 1 . 1 125 125 ILE CD1 C 13 11.269 0.3 . 1 . . . . A 125 ILE CD1 . 34764 1 496 . 1 . 1 125 125 ILE N N 15 118.383 0.3 . 1 . . . . A 125 ILE N . 34764 1 497 . 1 . 1 126 126 ARG H H 1 8.069 0.020 . 1 . . . . A 126 ARG H . 34764 1 498 . 1 . 1 126 126 ARG HA H 1 4.021 0.020 . 1 . . . . A 126 ARG HA . 34764 1 499 . 1 . 1 126 126 ARG HB2 H 1 1.963 0.020 . 2 . . . . A 126 ARG HB2 . 34764 1 500 . 1 . 1 126 126 ARG HB3 H 1 1.896 0.020 . 2 . . . . A 126 ARG HB3 . 34764 1 501 . 1 . 1 126 126 ARG HG2 H 1 1.655 0.020 . 2 . . . . A 126 ARG HG2 . 34764 1 502 . 1 . 1 126 126 ARG HG3 H 1 1.619 0.020 . 2 . . . . A 126 ARG HG3 . 34764 1 503 . 1 . 1 126 126 ARG HD2 H 1 3.261 0.020 . 2 . . . . A 126 ARG HD2 . 34764 1 504 . 1 . 1 126 126 ARG HD3 H 1 3.233 0.020 . 2 . . . . A 126 ARG HD3 . 34764 1 505 . 1 . 1 126 126 ARG C C 13 179.227 0.3 . 1 . . . . A 126 ARG C . 34764 1 506 . 1 . 1 126 126 ARG CA C 13 59.253 0.3 . 1 . . . . A 126 ARG CA . 34764 1 507 . 1 . 1 126 126 ARG CB C 13 29.806 0.3 . 1 . . . . A 126 ARG CB . 34764 1 508 . 1 . 1 126 126 ARG CG C 13 27.556 0.3 . 1 . . . . A 126 ARG CG . 34764 1 509 . 1 . 1 126 126 ARG CD C 13 43.294 0.3 . 1 . . . . A 126 ARG CD . 34764 1 510 . 1 . 1 126 126 ARG N N 15 118.546 0.3 . 1 . . . . A 126 ARG N . 34764 1 511 . 1 . 1 127 127 GLU H H 1 7.977 0.020 . 1 . . . . A 127 GLU H . 34764 1 512 . 1 . 1 127 127 GLU HA H 1 4.025 0.020 . 1 . . . . A 127 GLU HA . 34764 1 513 . 1 . 1 127 127 GLU HB2 H 1 2.059 0.020 . 1 . . . . A 127 GLU HB2 . 34764 1 514 . 1 . 1 127 127 GLU HB3 H 1 2.059 0.020 . 1 . . . . A 127 GLU HB3 . 34764 1 515 . 1 . 1 127 127 GLU C C 13 177.258 0.3 . 1 . . . . A 127 GLU C . 34764 1 516 . 1 . 1 127 127 GLU CA C 13 57.833 0.3 . 1 . . . . A 127 GLU CA . 34764 1 517 . 1 . 1 127 127 GLU CB C 13 29.355 0.3 . 1 . . . . A 127 GLU CB . 34764 1 518 . 1 . 1 127 127 GLU CG C 13 36.181 0.3 . 1 . . . . A 127 GLU CG . 34764 1 519 . 1 . 1 127 127 GLU N N 15 115.883 0.3 . 1 . . . . A 127 GLU N . 34764 1 520 . 1 . 1 128 128 ALA H H 1 7.500 0.020 . 1 . . . . A 128 ALA H . 34764 1 521 . 1 . 1 128 128 ALA HA H 1 4.378 0.020 . 1 . . . . A 128 ALA HA . 34764 1 522 . 1 . 1 128 128 ALA HB1 H 1 1.446 0.020 . 1 . . . . A 128 ALA HB1 . 34764 1 523 . 1 . 1 128 128 ALA HB2 H 1 1.446 0.020 . 1 . . . . A 128 ALA HB2 . 34764 1 524 . 1 . 1 128 128 ALA HB3 H 1 1.446 0.020 . 1 . . . . A 128 ALA HB3 . 34764 1 525 . 1 . 1 128 128 ALA C C 13 178.112 0.3 . 1 . . . . A 128 ALA C . 34764 1 526 . 1 . 1 128 128 ALA CA C 13 52.075 0.3 . 1 . . . . A 128 ALA CA . 34764 1 527 . 1 . 1 128 128 ALA CB C 13 20.595 0.3 . 1 . . . . A 128 ALA CB . 34764 1 528 . 1 . 1 128 128 ALA N N 15 119.085 0.3 . 1 . . . . A 128 ALA N . 34764 1 529 . 1 . 1 129 129 ASP H H 1 7.890 0.020 . 1 . . . . A 129 ASP H . 34764 1 530 . 1 . 1 129 129 ASP HA H 1 4.575 0.020 . 1 . . . . A 129 ASP HA . 34764 1 531 . 1 . 1 129 129 ASP HB2 H 1 2.876 0.020 . 2 . . . . A 129 ASP HB2 . 34764 1 532 . 1 . 1 129 129 ASP HB3 H 1 2.455 0.020 . 2 . . . . A 129 ASP HB3 . 34764 1 533 . 1 . 1 129 129 ASP C C 13 176.049 0.3 . 1 . . . . A 129 ASP C . 34764 1 534 . 1 . 1 129 129 ASP CA C 13 53.300 0.3 . 1 . . . . A 129 ASP CA . 34764 1 535 . 1 . 1 129 129 ASP CB C 13 39.562 0.3 . 1 . . . . A 129 ASP CB . 34764 1 536 . 1 . 1 129 129 ASP N N 15 116.753 0.3 . 1 . . . . A 129 ASP N . 34764 1 537 . 1 . 1 130 130 ILE H H 1 8.330 0.020 . 1 . . . . A 130 ILE H . 34764 1 538 . 1 . 1 130 130 ILE HA H 1 3.901 0.020 . 1 . . . . A 130 ILE HA . 34764 1 539 . 1 . 1 130 130 ILE HB H 1 2.016 0.020 . 1 . . . . A 130 ILE HB . 34764 1 540 . 1 . 1 130 130 ILE HG12 H 1 1.732 0.020 . 2 . . . . A 130 ILE HG12 . 34764 1 541 . 1 . 1 130 130 ILE HG13 H 1 1.362 0.020 . 2 . . . . A 130 ILE HG13 . 34764 1 542 . 1 . 1 130 130 ILE HG21 H 1 0.967 0.020 . 1 . . . . A 130 ILE HG21 . 34764 1 543 . 1 . 1 130 130 ILE HG22 H 1 0.967 0.020 . 1 . . . . A 130 ILE HG22 . 34764 1 544 . 1 . 1 130 130 ILE HG23 H 1 0.967 0.020 . 1 . . . . A 130 ILE HG23 . 34764 1 545 . 1 . 1 130 130 ILE HD11 H 1 0.914 0.020 . 1 . . . . A 130 ILE HD11 . 34764 1 546 . 1 . 1 130 130 ILE HD12 H 1 0.914 0.020 . 1 . . . . A 130 ILE HD12 . 34764 1 547 . 1 . 1 130 130 ILE HD13 H 1 0.914 0.020 . 1 . . . . A 130 ILE HD13 . 34764 1 548 . 1 . 1 130 130 ILE C C 13 177.929 0.3 . 1 . . . . A 130 ILE C . 34764 1 549 . 1 . 1 130 130 ILE CA C 13 63.018 0.3 . 1 . . . . A 130 ILE CA . 34764 1 550 . 1 . 1 130 130 ILE CB C 13 38.113 0.3 . 1 . . . . A 130 ILE CB . 34764 1 551 . 1 . 1 130 130 ILE CG1 C 13 27.514 0.3 . 1 . . . . A 130 ILE CG1 . 34764 1 552 . 1 . 1 130 130 ILE CG2 C 13 16.967 0.3 . 1 . . . . A 130 ILE CG2 . 34764 1 553 . 1 . 1 130 130 ILE CD1 C 13 11.954 0.3 . 1 . . . . A 130 ILE CD1 . 34764 1 554 . 1 . 1 130 130 ILE N N 15 127.672 0.3 . 1 . . . . A 130 ILE N . 34764 1 555 . 1 . 1 131 131 ASP H H 1 8.329 0.020 . 1 . . . . A 131 ASP H . 34764 1 556 . 1 . 1 131 131 ASP HA H 1 4.580 0.020 . 1 . . . . A 131 ASP HA . 34764 1 557 . 1 . 1 131 131 ASP HB2 H 1 2.690 0.020 . 2 . . . . A 131 ASP HB2 . 34764 1 558 . 1 . 1 131 131 ASP HB3 H 1 3.101 0.020 . 2 . . . . A 131 ASP HB3 . 34764 1 559 . 1 . 1 131 131 ASP C C 13 178.294 0.3 . 1 . . . . A 131 ASP C . 34764 1 560 . 1 . 1 131 131 ASP CA C 13 53.362 0.3 . 1 . . . . A 131 ASP CA . 34764 1 561 . 1 . 1 131 131 ASP CB C 13 39.381 0.3 . 1 . . . . A 131 ASP CB . 34764 1 562 . 1 . 1 131 131 ASP N N 15 116.519 0.3 . 1 . . . . A 131 ASP N . 34764 1 563 . 1 . 1 132 132 GLY H H 1 7.632 0.020 . 1 . . . . A 132 GLY H . 34764 1 564 . 1 . 1 132 132 GLY HA2 H 1 3.985 0.020 . 1 . . . . A 132 GLY HA2 . 34764 1 565 . 1 . 1 132 132 GLY HA3 H 1 3.985 0.020 . 1 . . . . A 132 GLY HA3 . 34764 1 566 . 1 . 1 132 132 GLY C C 13 175.179 0.3 . 1 . . . . A 132 GLY C . 34764 1 567 . 1 . 1 132 132 GLY CA C 13 47.080 0.3 . 1 . . . . A 132 GLY CA . 34764 1 568 . 1 . 1 132 132 GLY N N 15 108.654 0.3 . 1 . . . . A 132 GLY N . 34764 1 569 . 1 . 1 133 133 ASP H H 1 8.380 0.020 . 1 . . . . A 133 ASP H . 34764 1 570 . 1 . 1 133 133 ASP HA H 1 4.494 0.020 . 1 . . . . A 133 ASP HA . 34764 1 571 . 1 . 1 133 133 ASP HB2 H 1 2.981 0.020 . 2 . . . . A 133 ASP HB2 . 34764 1 572 . 1 . 1 133 133 ASP HB3 H 1 2.513 0.020 . 2 . . . . A 133 ASP HB3 . 34764 1 573 . 1 . 1 133 133 ASP C C 13 177.462 0.3 . 1 . . . . A 133 ASP C . 34764 1 574 . 1 . 1 133 133 ASP CA C 13 53.269 0.3 . 1 . . . . A 133 ASP CA . 34764 1 575 . 1 . 1 133 133 ASP CB C 13 39.796 0.3 . 1 . . . . A 133 ASP CB . 34764 1 576 . 1 . 1 133 133 ASP N N 15 120.810 0.3 . 1 . . . . A 133 ASP N . 34764 1 577 . 1 . 1 134 134 GLY H H 1 10.403 0.020 . 1 . . . . A 134 GLY H . 34764 1 578 . 1 . 1 134 134 GLY HA2 H 1 4.068 0.020 . 1 . . . . A 134 GLY HA2 . 34764 1 579 . 1 . 1 134 134 GLY HA3 H 1 4.068 0.020 . 1 . . . . A 134 GLY HA3 . 34764 1 580 . 1 . 1 134 134 GLY C C 13 172.934 0.3 . 1 . . . . A 134 GLY C . 34764 1 581 . 1 . 1 134 134 GLY CA C 13 45.288 0.3 . 1 . . . . A 134 GLY CA . 34764 1 582 . 1 . 1 134 134 GLY N N 15 113.038 0.3 . 1 . . . . A 134 GLY N . 34764 1 583 . 1 . 1 135 135 GLN H H 1 8.033 0.020 . 1 . . . . A 135 GLN H . 34764 1 584 . 1 . 1 135 135 GLN HA H 1 4.897 0.020 . 1 . . . . A 135 GLN HA . 34764 1 585 . 1 . 1 135 135 GLN HB2 H 1 1.762 0.020 . 1 . . . . A 135 GLN HB2 . 34764 1 586 . 1 . 1 135 135 GLN HG2 H 1 1.962 0.020 . 1 . . . . A 135 GLN HG2 . 34764 1 587 . 1 . 1 135 135 GLN HE21 H 1 6.557 0.020 . 1 . . . . A 135 GLN HE21 . 34764 1 588 . 1 . 1 135 135 GLN HE22 H 1 5.947 0.020 . 1 . . . . A 135 GLN HE22 . 34764 1 589 . 1 . 1 135 135 GLN C C 13 174.596 0.3 . 1 . . . . A 135 GLN C . 34764 1 590 . 1 . 1 135 135 GLN CA C 13 52.638 0.3 . 1 . . . . A 135 GLN CA . 34764 1 591 . 1 . 1 135 135 GLN CB C 13 31.933 0.3 . 1 . . . . A 135 GLN CB . 34764 1 592 . 1 . 1 135 135 GLN CG C 13 32.546 0.3 . 1 . . . . A 135 GLN CG . 34764 1 593 . 1 . 1 135 135 GLN N N 15 115.804 0.3 . 1 . . . . A 135 GLN N . 34764 1 594 . 1 . 1 135 135 GLN NE2 N 15 108.810 0.3 . 1 . . . . A 135 GLN NE2 . 34764 1 595 . 1 . 1 136 136 VAL H H 1 9.215 0.020 . 1 . . . . A 136 VAL H . 34764 1 596 . 1 . 1 136 136 VAL HA H 1 5.220 0.020 . 1 . . . . A 136 VAL HA . 34764 1 597 . 1 . 1 136 136 VAL HB H 1 2.306 0.020 . 1 . . . . A 136 VAL HB . 34764 1 598 . 1 . 1 136 136 VAL HG11 H 1 0.904 0.020 . 1 . . . . A 136 VAL HG11 . 34764 1 599 . 1 . 1 136 136 VAL HG12 H 1 0.904 0.020 . 1 . . . . A 136 VAL HG12 . 34764 1 600 . 1 . 1 136 136 VAL HG13 H 1 0.904 0.020 . 1 . . . . A 136 VAL HG13 . 34764 1 601 . 1 . 1 136 136 VAL HG21 H 1 1.298 0.020 . 1 . . . . A 136 VAL HG21 . 34764 1 602 . 1 . 1 136 136 VAL HG22 H 1 1.298 0.020 . 1 . . . . A 136 VAL HG22 . 34764 1 603 . 1 . 1 136 136 VAL HG23 H 1 1.298 0.020 . 1 . . . . A 136 VAL HG23 . 34764 1 604 . 1 . 1 136 136 VAL C C 13 175.791 0.3 . 1 . . . . A 136 VAL C . 34764 1 605 . 1 . 1 136 136 VAL CA C 13 61.205 0.3 . 1 . . . . A 136 VAL CA . 34764 1 606 . 1 . 1 136 136 VAL CB C 13 33.273 0.3 . 1 . . . . A 136 VAL CB . 34764 1 607 . 1 . 1 136 136 VAL CG1 C 13 21.646 0.3 . 1 . . . . A 136 VAL CG1 . 34764 1 608 . 1 . 1 136 136 VAL CG2 C 13 21.731 0.3 . 1 . . . . A 136 VAL CG2 . 34764 1 609 . 1 . 1 136 136 VAL N N 15 125.505 0.3 . 1 . . . . A 136 VAL N . 34764 1 610 . 1 . 1 137 137 ASN H H 1 9.521 0.020 . 1 . . . . A 137 ASN H . 34764 1 611 . 1 . 1 137 137 ASN HA H 1 5.208 0.020 . 1 . . . . A 137 ASN HA . 34764 1 612 . 1 . 1 137 137 ASN HB2 H 1 3.334 0.020 . 2 . . . . A 137 ASN HB2 . 34764 1 613 . 1 . 1 137 137 ASN HB3 H 1 3.225 0.020 . 2 . . . . A 137 ASN HB3 . 34764 1 614 . 1 . 1 137 137 ASN HD21 H 1 7.296 0.020 . 1 . . . . A 137 ASN HD21 . 34764 1 615 . 1 . 1 137 137 ASN HD22 H 1 6.898 0.020 . 1 . . . . A 137 ASN HD22 . 34764 1 616 . 1 . 1 137 137 ASN C C 13 174.742 0.3 . 1 . . . . A 137 ASN C . 34764 1 617 . 1 . 1 137 137 ASN CA C 13 50.717 0.3 . 1 . . . . A 137 ASN CA . 34764 1 618 . 1 . 1 137 137 ASN CB C 13 37.838 0.3 . 1 . . . . A 137 ASN CB . 34764 1 619 . 1 . 1 137 137 ASN N N 15 128.941 0.3 . 1 . . . . A 137 ASN N . 34764 1 620 . 1 . 1 137 137 ASN ND2 N 15 108.511 0.3 . 1 . . . . A 137 ASN ND2 . 34764 1 621 . 1 . 1 138 138 TYR H H 1 8.538 0.020 . 1 . . . . A 138 TYR H . 34764 1 622 . 1 . 1 138 138 TYR HA H 1 3.478 0.020 . 1 . . . . A 138 TYR HA . 34764 1 623 . 1 . 1 138 138 TYR HB2 H 1 2.570 0.020 . 2 . . . . A 138 TYR HB2 . 34764 1 624 . 1 . 1 138 138 TYR HB3 H 1 2.119 0.020 . 2 . . . . A 138 TYR HB3 . 34764 1 625 . 1 . 1 138 138 TYR HD1 H 1 6.315 0.020 . 1 . . . . A 138 TYR HD1 . 34764 1 626 . 1 . 1 138 138 TYR HD2 H 1 6.315 0.020 . 1 . . . . A 138 TYR HD2 . 34764 1 627 . 1 . 1 138 138 TYR HE1 H 1 6.538 0.020 . 1 . . . . A 138 TYR HE1 . 34764 1 628 . 1 . 1 138 138 TYR HE2 H 1 6.538 0.020 . 1 . . . . A 138 TYR HE2 . 34764 1 629 . 1 . 1 138 138 TYR C C 13 176.048 0.3 . 1 . . . . A 138 TYR C . 34764 1 630 . 1 . 1 138 138 TYR CA C 13 62.475 0.3 . 1 . . . . A 138 TYR CA . 34764 1 631 . 1 . 1 138 138 TYR CB C 13 37.326 0.3 . 1 . . . . A 138 TYR CB . 34764 1 632 . 1 . 1 138 138 TYR CD1 C 13 132.923 0.3 . 1 . . . . A 138 TYR CD1 . 34764 1 633 . 1 . 1 138 138 TYR CE1 C 13 118.469 0.3 . 1 . . . . A 138 TYR CE1 . 34764 1 634 . 1 . 1 138 138 TYR N N 15 118.539 0.3 . 1 . . . . A 138 TYR N . 34764 1 635 . 1 . 1 139 139 GLU H H 1 8.167 0.020 . 1 . . . . A 139 GLU H . 34764 1 636 . 1 . 1 139 139 GLU HA H 1 3.676 0.020 . 1 . . . . A 139 GLU HA . 34764 1 637 . 1 . 1 139 139 GLU HB2 H 1 2.117 0.020 . 2 . . . . A 139 GLU HB2 . 34764 1 638 . 1 . 1 139 139 GLU HB3 H 1 2.002 0.020 . 2 . . . . A 139 GLU HB3 . 34764 1 639 . 1 . 1 139 139 GLU HG2 H 1 2.320 0.020 . 2 . . . . A 139 GLU HG2 . 34764 1 640 . 1 . 1 139 139 GLU HG3 H 1 2.377 0.020 . 2 . . . . A 139 GLU HG3 . 34764 1 641 . 1 . 1 139 139 GLU C C 13 180.601 0.3 . 1 . . . . A 139 GLU C . 34764 1 642 . 1 . 1 139 139 GLU CA C 13 59.998 0.3 . 1 . . . . A 139 GLU CA . 34764 1 643 . 1 . 1 139 139 GLU CB C 13 28.742 0.3 . 1 . . . . A 139 GLU CB . 34764 1 644 . 1 . 1 139 139 GLU CG C 13 37.075 0.3 . 1 . . . . A 139 GLU CG . 34764 1 645 . 1 . 1 139 139 GLU N N 15 118.462 0.3 . 1 . . . . A 139 GLU N . 34764 1 646 . 1 . 1 140 140 GLU H H 1 8.826 0.020 . 1 . . . . A 140 GLU H . 34764 1 647 . 1 . 1 140 140 GLU HA H 1 4.070 0.020 . 1 . . . . A 140 GLU HA . 34764 1 648 . 1 . 1 140 140 GLU HB2 H 1 2.588 0.020 . 2 . . . . A 140 GLU HB2 . 34764 1 649 . 1 . 1 140 140 GLU HB3 H 1 2.238 0.020 . 2 . . . . A 140 GLU HB3 . 34764 1 650 . 1 . 1 140 140 GLU HG2 H 1 2.900 0.020 . 2 . . . . A 140 GLU HG2 . 34764 1 651 . 1 . 1 140 140 GLU HG3 H 1 2.459 0.020 . 2 . . . . A 140 GLU HG3 . 34764 1 652 . 1 . 1 140 140 GLU C C 13 179.323 0.3 . 1 . . . . A 140 GLU C . 34764 1 653 . 1 . 1 140 140 GLU CA C 13 58.046 0.3 . 1 . . . . A 140 GLU CA . 34764 1 654 . 1 . 1 140 140 GLU CB C 13 29.480 0.3 . 1 . . . . A 140 GLU CB . 34764 1 655 . 1 . 1 140 140 GLU CG C 13 36.631 0.3 . 1 . . . . A 140 GLU CG . 34764 1 656 . 1 . 1 140 140 GLU N N 15 119.940 0.3 . 1 . . . . A 140 GLU N . 34764 1 657 . 1 . 1 141 141 PHE H H 1 8.993 0.020 . 1 . . . . A 141 PHE H . 34764 1 658 . 1 . 1 141 141 PHE HA H 1 4.004 0.020 . 1 . . . . A 141 PHE HA . 34764 1 659 . 1 . 1 141 141 PHE HB2 H 1 3.409 0.020 . 2 . . . . A 141 PHE HB2 . 34764 1 660 . 1 . 1 141 141 PHE HB3 H 1 3.210 0.020 . 2 . . . . A 141 PHE HB3 . 34764 1 661 . 1 . 1 141 141 PHE HD1 H 1 6.959 0.020 . 1 . . . . A 141 PHE HD1 . 34764 1 662 . 1 . 1 141 141 PHE HD2 H 1 6.959 0.020 . 1 . . . . A 141 PHE HD2 . 34764 1 663 . 1 . 1 141 141 PHE HE1 H 1 7.217 0.020 . 1 . . . . A 141 PHE HE1 . 34764 1 664 . 1 . 1 141 141 PHE HE2 H 1 7.217 0.020 . 1 . . . . A 141 PHE HE2 . 34764 1 665 . 1 . 1 141 141 PHE HZ H 1 7.078 0.020 . 1 . . . . A 141 PHE HZ . 34764 1 666 . 1 . 1 141 141 PHE C C 13 176.695 0.3 . 1 . . . . A 141 PHE C . 34764 1 667 . 1 . 1 141 141 PHE CA C 13 61.277 0.3 . 1 . . . . A 141 PHE CA . 34764 1 668 . 1 . 1 141 141 PHE CB C 13 39.460 0.3 . 1 . . . . A 141 PHE CB . 34764 1 669 . 1 . 1 141 141 PHE CD1 C 13 132.600 0.3 . 1 . . . . A 141 PHE CD1 . 34764 1 670 . 1 . 1 141 141 PHE CE1 C 13 131.842 0.3 . 1 . . . . A 141 PHE CE1 . 34764 1 671 . 1 . 1 141 141 PHE CZ C 13 129.958 0.3 . 1 . . . . A 141 PHE CZ . 34764 1 672 . 1 . 1 141 141 PHE N N 15 124.753 0.3 . 1 . . . . A 141 PHE N . 34764 1 673 . 1 . 1 142 142 VAL H H 1 8.603 0.020 . 1 . . . . A 142 VAL H . 34764 1 674 . 1 . 1 142 142 VAL HA H 1 3.132 0.020 . 1 . . . . A 142 VAL HA . 34764 1 675 . 1 . 1 142 142 VAL HB H 1 1.888 0.020 . 1 . . . . A 142 VAL HB . 34764 1 676 . 1 . 1 142 142 VAL HG11 H 1 0.762 0.020 . 1 . . . . A 142 VAL HG11 . 34764 1 677 . 1 . 1 142 142 VAL HG12 H 1 0.762 0.020 . 1 . . . . A 142 VAL HG12 . 34764 1 678 . 1 . 1 142 142 VAL HG13 H 1 0.762 0.020 . 1 . . . . A 142 VAL HG13 . 34764 1 679 . 1 . 1 142 142 VAL HG21 H 1 0.532 0.020 . 1 . . . . A 142 VAL HG21 . 34764 1 680 . 1 . 1 142 142 VAL HG22 H 1 0.532 0.020 . 1 . . . . A 142 VAL HG22 . 34764 1 681 . 1 . 1 142 142 VAL HG23 H 1 0.532 0.020 . 1 . . . . A 142 VAL HG23 . 34764 1 682 . 1 . 1 142 142 VAL C C 13 179.493 0.3 . 1 . . . . A 142 VAL C . 34764 1 683 . 1 . 1 142 142 VAL CA C 13 66.648 0.3 . 1 . . . . A 142 VAL CA . 34764 1 684 . 1 . 1 142 142 VAL CB C 13 31.178 0.3 . 1 . . . . A 142 VAL CB . 34764 1 685 . 1 . 1 142 142 VAL CG1 C 13 20.832 0.3 . 1 . . . . A 142 VAL CG1 . 34764 1 686 . 1 . 1 142 142 VAL CG2 C 13 22.463 0.3 . 1 . . . . A 142 VAL CG2 . 34764 1 687 . 1 . 1 142 142 VAL N N 15 119.475 0.3 . 1 . . . . A 142 VAL N . 34764 1 688 . 1 . 1 143 143 GLN H H 1 7.459 0.020 . 1 . . . . A 143 GLN H . 34764 1 689 . 1 . 1 143 143 GLN HA H 1 3.914 0.020 . 1 . . . . A 143 GLN HA . 34764 1 690 . 1 . 1 143 143 GLN HB2 H 1 2.150 0.020 . 2 . . . . A 143 GLN HB2 . 34764 1 691 . 1 . 1 143 143 GLN HB3 H 1 2.130 0.020 . 2 . . . . A 143 GLN HB3 . 34764 1 692 . 1 . 1 143 143 GLN HG2 H 1 2.429 0.020 . 2 . . . . A 143 GLN HG2 . 34764 1 693 . 1 . 1 143 143 GLN HG3 H 1 2.413 0.020 . 2 . . . . A 143 GLN HG3 . 34764 1 694 . 1 . 1 143 143 GLN HE21 H 1 6.822 0.020 . 1 . . . . A 143 GLN HE21 . 34764 1 695 . 1 . 1 143 143 GLN HE22 H 1 7.503 0.020 . 1 . . . . A 143 GLN HE22 . 34764 1 696 . 1 . 1 143 143 GLN C C 13 177.772 0.3 . 1 . . . . A 143 GLN C . 34764 1 697 . 1 . 1 143 143 GLN CA C 13 58.430 0.3 . 1 . . . . A 143 GLN CA . 34764 1 698 . 1 . 1 143 143 GLN CB C 13 27.697 0.3 . 1 . . . . A 143 GLN CB . 34764 1 699 . 1 . 1 143 143 GLN CG C 13 33.509 0.3 . 1 . . . . A 143 GLN CG . 34764 1 700 . 1 . 1 143 143 GLN N N 15 118.228 0.3 . 1 . . . . A 143 GLN N . 34764 1 701 . 1 . 1 143 143 GLN NE2 N 15 112.089 0.3 . 1 . . . . A 143 GLN NE2 . 34764 1 702 . 1 . 1 144 144 MET H H 1 7.962 0.020 . 1 . . . . A 144 MET H . 34764 1 703 . 1 . 1 144 144 MET HA H 1 4.126 0.020 . 1 . . . . A 144 MET HA . 34764 1 704 . 1 . 1 144 144 MET HB2 H 1 2.129 0.020 . 2 . . . . A 144 MET HB2 . 34764 1 705 . 1 . 1 144 144 MET HB3 H 1 2.087 0.020 . 2 . . . . A 144 MET HB3 . 34764 1 706 . 1 . 1 144 144 MET HG2 H 1 2.528 0.020 . 2 . . . . A 144 MET HG2 . 34764 1 707 . 1 . 1 144 144 MET HG3 H 1 2.352 0.020 . 2 . . . . A 144 MET HG3 . 34764 1 708 . 1 . 1 144 144 MET HE1 H 1 2.057 0.020 . 1 . . . . A 144 MET HE1 . 34764 1 709 . 1 . 1 144 144 MET HE2 H 1 2.057 0.020 . 1 . . . . A 144 MET HE2 . 34764 1 710 . 1 . 1 144 144 MET HE3 H 1 2.057 0.020 . 1 . . . . A 144 MET HE3 . 34764 1 711 . 1 . 1 144 144 MET C C 13 177.887 0.3 . 1 . . . . A 144 MET C . 34764 1 712 . 1 . 1 144 144 MET CA C 13 58.222 0.3 . 1 . . . . A 144 MET CA . 34764 1 713 . 1 . 1 144 144 MET CB C 13 32.932 0.3 . 1 . . . . A 144 MET CB . 34764 1 714 . 1 . 1 144 144 MET CG C 13 31.020 0.3 . 1 . . . . A 144 MET CG . 34764 1 715 . 1 . 1 144 144 MET CE C 13 16.865 0.3 . 1 . . . . A 144 MET CE . 34764 1 716 . 1 . 1 144 144 MET N N 15 119.584 0.3 . 1 . . . . A 144 MET N . 34764 1 717 . 1 . 1 145 145 MET H H 1 7.864 0.020 . 1 . . . . A 145 MET H . 34764 1 718 . 1 . 1 145 145 MET HA H 1 4.325 0.020 . 1 . . . . A 145 MET HA . 34764 1 719 . 1 . 1 145 145 MET HB3 H 1 1.669 0.020 . 1 . . . . A 145 MET HB3 . 34764 1 720 . 1 . 1 145 145 MET HG2 H 1 1.865 0.020 . 1 . . . . A 145 MET HG2 . 34764 1 721 . 1 . 1 145 145 MET HE1 H 1 1.871 0.020 . 1 . . . . A 145 MET HE1 . 34764 1 722 . 1 . 1 145 145 MET HE2 H 1 1.871 0.020 . 1 . . . . A 145 MET HE2 . 34764 1 723 . 1 . 1 145 145 MET HE3 H 1 1.871 0.020 . 1 . . . . A 145 MET HE3 . 34764 1 724 . 1 . 1 145 145 MET C C 13 177.386 0.3 . 1 . . . . A 145 MET C . 34764 1 725 . 1 . 1 145 145 MET CA C 13 54.724 0.3 . 1 . . . . A 145 MET CA . 34764 1 726 . 1 . 1 145 145 MET CB C 13 31.685 0.3 . 1 . . . . A 145 MET CB . 34764 1 727 . 1 . 1 145 145 MET CG C 13 31.907 0.3 . 1 . . . . A 145 MET CG . 34764 1 728 . 1 . 1 145 145 MET CE C 13 16.654 0.3 . 1 . . . . A 145 MET CE . 34764 1 729 . 1 . 1 145 145 MET N N 15 114.611 0.3 . 1 . . . . A 145 MET N . 34764 1 730 . 1 . 1 146 146 THR H H 1 7.603 0.020 . 1 . . . . A 146 THR H . 34764 1 731 . 1 . 1 146 146 THR HA H 1 4.316 0.020 . 1 . . . . A 146 THR HA . 34764 1 732 . 1 . 1 146 146 THR HB H 1 4.249 0.020 . 1 . . . . A 146 THR HB . 34764 1 733 . 1 . 1 146 146 THR HG21 H 1 1.190 0.020 . 1 . . . . A 146 THR HG21 . 34764 1 734 . 1 . 1 146 146 THR HG22 H 1 1.190 0.020 . 1 . . . . A 146 THR HG22 . 34764 1 735 . 1 . 1 146 146 THR HG23 H 1 1.190 0.020 . 1 . . . . A 146 THR HG23 . 34764 1 736 . 1 . 1 146 146 THR C C 13 174.123 0.3 . 1 . . . . A 146 THR C . 34764 1 737 . 1 . 1 146 146 THR CA C 13 62.122 0.3 . 1 . . . . A 146 THR CA . 34764 1 738 . 1 . 1 146 146 THR CB C 13 69.826 0.3 . 1 . . . . A 146 THR CB . 34764 1 739 . 1 . 1 146 146 THR CG2 C 13 20.838 0.3 . 1 . . . . A 146 THR CG2 . 34764 1 740 . 1 . 1 146 146 THR N N 15 111.744 0.3 . 1 . . . . A 146 THR N . 34764 1 741 . 1 . 1 147 147 ALA H H 1 7.851 0.020 . 1 . . . . A 147 ALA H . 34764 1 742 . 1 . 1 147 147 ALA HA H 1 4.313 0.020 . 1 . . . . A 147 ALA HA . 34764 1 743 . 1 . 1 147 147 ALA HB1 H 1 1.417 0.020 . 1 . . . . A 147 ALA HB1 . 34764 1 744 . 1 . 1 147 147 ALA HB2 H 1 1.417 0.020 . 1 . . . . A 147 ALA HB2 . 34764 1 745 . 1 . 1 147 147 ALA HB3 H 1 1.417 0.020 . 1 . . . . A 147 ALA HB3 . 34764 1 746 . 1 . 1 147 147 ALA C C 13 176.592 0.3 . 1 . . . . A 147 ALA C . 34764 1 747 . 1 . 1 147 147 ALA CA C 13 52.511 0.3 . 1 . . . . A 147 ALA CA . 34764 1 748 . 1 . 1 147 147 ALA CB C 13 18.637 0.3 . 1 . . . . A 147 ALA CB . 34764 1 749 . 1 . 1 147 147 ALA N N 15 127.051 0.3 . 1 . . . . A 147 ALA N . 34764 1 750 . 1 . 1 148 148 LYS H H 1 7.851 0.020 . 1 . . . . A 148 LYS H . 34764 1 751 . 1 . 1 148 148 LYS HA H 1 4.151 0.020 . 1 . . . . A 148 LYS HA . 34764 1 752 . 1 . 1 148 148 LYS HB2 H 1 1.835 0.020 . 2 . . . . A 148 LYS HB2 . 34764 1 753 . 1 . 1 148 148 LYS HB3 H 1 1.705 0.020 . 2 . . . . A 148 LYS HB3 . 34764 1 754 . 1 . 1 148 148 LYS HE2 H 1 2.997 0.020 . 1 . . . . A 148 LYS HE2 . 34764 1 755 . 1 . 1 148 148 LYS C C 13 181.393 0.3 . 1 . . . . A 148 LYS C . 34764 1 756 . 1 . 1 148 148 LYS CA C 13 57.110 0.3 . 1 . . . . A 148 LYS CA . 34764 1 757 . 1 . 1 148 148 LYS CB C 13 33.316 0.3 . 1 . . . . A 148 LYS CB . 34764 1 758 . 1 . 1 148 148 LYS CE C 13 41.810 0.3 . 1 . . . . A 148 LYS CE . 34764 1 759 . 1 . 1 148 148 LYS N N 15 125.802 0.3 . 1 . . . . A 148 LYS N . 34764 1 stop_ save_