data_34263 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34263 _Entry.Title ; Calmodulin mutant - F141L apo-form Unstructured C-domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-04-23 _Entry.Accession_date 2018-04-23 _Entry.Last_release_date 2018-10-23 _Entry.Original_release_date 2018-10-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34263 stop_ 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 C. Holt C. . . . 34263 2 M. Overgaard M. T. . . 34263 3 R. Wimmer R. . . . 34263 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Calcium signalling' . 34263 Calmodulin . 34263 'SIGNALING PROTEIN' . 34263 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34263 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 400 34263 '15N chemical shifts' 95 34263 '1H chemical shifts' 612 34263 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 2 . . 2019-08-13 2018-04-23 update BMRB 'update entry citation' 34263 1 . . 2018-11-09 2018-04-23 original author 'original release' 34263 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6GDL . 34263 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34263 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30348784 _Citation.Full_citation . _Citation.Title ; Arrhythmia mutations in calmodulin cause conformational changes that affect interactions with the cardiac voltage-gated calcium channel ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 115 _Citation.Journal_issue 45 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 E10556 _Citation.Page_last E10565 _Citation.Year 2018 _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 K. Wang K. . . . 34263 1 2 C. Holt C. . . . 34263 1 3 J. Lu J. . . . 34263 1 4 M. Brohus M. . . . 34263 1 5 K. Larsen K. T. . . 34263 1 6 M. Overgaard M. T. . . 34263 1 7 R. Wimmer R. . . . 34263 1 8 F. Petegem F. V. . . 34263 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34263 _Assembly.ID 1 _Assembly.Name Calmodulin-1 _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 entity_1 1 $entity_1 A A yes . . . . . . 34263 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34263 _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 SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE LVQMMTAK ; _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 F141L _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16687.334 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 . 34263 1 2 . ASP . 34263 1 3 . GLN . 34263 1 4 . LEU . 34263 1 5 . THR . 34263 1 6 . GLU . 34263 1 7 . GLU . 34263 1 8 . GLN . 34263 1 9 . ILE . 34263 1 10 . ALA . 34263 1 11 . GLU . 34263 1 12 . PHE . 34263 1 13 . LYS . 34263 1 14 . GLU . 34263 1 15 . ALA . 34263 1 16 . PHE . 34263 1 17 . SER . 34263 1 18 . LEU . 34263 1 19 . PHE . 34263 1 20 . ASP . 34263 1 21 . LYS . 34263 1 22 . ASP . 34263 1 23 . GLY . 34263 1 24 . ASP . 34263 1 25 . GLY . 34263 1 26 . THR . 34263 1 27 . ILE . 34263 1 28 . THR . 34263 1 29 . THR . 34263 1 30 . LYS . 34263 1 31 . GLU . 34263 1 32 . LEU . 34263 1 33 . GLY . 34263 1 34 . THR . 34263 1 35 . VAL . 34263 1 36 . MET . 34263 1 37 . ARG . 34263 1 38 . SER . 34263 1 39 . LEU . 34263 1 40 . GLY . 34263 1 41 . GLN . 34263 1 42 . ASN . 34263 1 43 . PRO . 34263 1 44 . THR . 34263 1 45 . GLU . 34263 1 46 . ALA . 34263 1 47 . GLU . 34263 1 48 . LEU . 34263 1 49 . GLN . 34263 1 50 . ASP . 34263 1 51 . MET . 34263 1 52 . ILE . 34263 1 53 . ASN . 34263 1 54 . GLU . 34263 1 55 . VAL . 34263 1 56 . ASP . 34263 1 57 . ALA . 34263 1 58 . ASP . 34263 1 59 . GLY . 34263 1 60 . ASN . 34263 1 61 . GLY . 34263 1 62 . THR . 34263 1 63 . ILE . 34263 1 64 . ASP . 34263 1 65 . PHE . 34263 1 66 . PRO . 34263 1 67 . GLU . 34263 1 68 . PHE . 34263 1 69 . LEU . 34263 1 70 . THR . 34263 1 71 . MET . 34263 1 72 . MET . 34263 1 73 . ALA . 34263 1 74 . ARG . 34263 1 75 . LYS . 34263 1 76 . MET . 34263 1 77 . LYS . 34263 1 78 . ASP . 34263 1 79 . THR . 34263 1 80 . ASP . 34263 1 81 . SER . 34263 1 82 . GLU . 34263 1 83 . GLU . 34263 1 84 . GLU . 34263 1 85 . ILE . 34263 1 86 . ARG . 34263 1 87 . GLU . 34263 1 88 . ALA . 34263 1 89 . PHE . 34263 1 90 . ARG . 34263 1 91 . VAL . 34263 1 92 . PHE . 34263 1 93 . ASP . 34263 1 94 . LYS . 34263 1 95 . ASP . 34263 1 96 . GLY . 34263 1 97 . ASN . 34263 1 98 . GLY . 34263 1 99 . TYR . 34263 1 100 . ILE . 34263 1 101 . SER . 34263 1 102 . ALA . 34263 1 103 . ALA . 34263 1 104 . GLU . 34263 1 105 . LEU . 34263 1 106 . ARG . 34263 1 107 . HIS . 34263 1 108 . VAL . 34263 1 109 . MET . 34263 1 110 . THR . 34263 1 111 . ASN . 34263 1 112 . LEU . 34263 1 113 . GLY . 34263 1 114 . GLU . 34263 1 115 . LYS . 34263 1 116 . LEU . 34263 1 117 . THR . 34263 1 118 . ASP . 34263 1 119 . GLU . 34263 1 120 . GLU . 34263 1 121 . VAL . 34263 1 122 . ASP . 34263 1 123 . GLU . 34263 1 124 . MET . 34263 1 125 . ILE . 34263 1 126 . ARG . 34263 1 127 . GLU . 34263 1 128 . ALA . 34263 1 129 . ASP . 34263 1 130 . ILE . 34263 1 131 . ASP . 34263 1 132 . GLY . 34263 1 133 . ASP . 34263 1 134 . GLY . 34263 1 135 . GLN . 34263 1 136 . VAL . 34263 1 137 . ASN . 34263 1 138 . TYR . 34263 1 139 . GLU . 34263 1 140 . GLU . 34263 1 141 . LEU . 34263 1 142 . VAL . 34263 1 143 . GLN . 34263 1 144 . MET . 34263 1 145 . MET . 34263 1 146 . THR . 34263 1 147 . ALA . 34263 1 148 . LYS . 34263 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 34263 1 . ASP 2 2 34263 1 . GLN 3 3 34263 1 . LEU 4 4 34263 1 . THR 5 5 34263 1 . GLU 6 6 34263 1 . GLU 7 7 34263 1 . GLN 8 8 34263 1 . ILE 9 9 34263 1 . ALA 10 10 34263 1 . GLU 11 11 34263 1 . PHE 12 12 34263 1 . LYS 13 13 34263 1 . GLU 14 14 34263 1 . ALA 15 15 34263 1 . PHE 16 16 34263 1 . SER 17 17 34263 1 . LEU 18 18 34263 1 . PHE 19 19 34263 1 . ASP 20 20 34263 1 . LYS 21 21 34263 1 . ASP 22 22 34263 1 . GLY 23 23 34263 1 . ASP 24 24 34263 1 . GLY 25 25 34263 1 . THR 26 26 34263 1 . ILE 27 27 34263 1 . THR 28 28 34263 1 . THR 29 29 34263 1 . LYS 30 30 34263 1 . GLU 31 31 34263 1 . LEU 32 32 34263 1 . GLY 33 33 34263 1 . THR 34 34 34263 1 . VAL 35 35 34263 1 . MET 36 36 34263 1 . ARG 37 37 34263 1 . SER 38 38 34263 1 . LEU 39 39 34263 1 . GLY 40 40 34263 1 . GLN 41 41 34263 1 . ASN 42 42 34263 1 . PRO 43 43 34263 1 . THR 44 44 34263 1 . GLU 45 45 34263 1 . ALA 46 46 34263 1 . GLU 47 47 34263 1 . LEU 48 48 34263 1 . GLN 49 49 34263 1 . ASP 50 50 34263 1 . MET 51 51 34263 1 . ILE 52 52 34263 1 . ASN 53 53 34263 1 . GLU 54 54 34263 1 . VAL 55 55 34263 1 . ASP 56 56 34263 1 . ALA 57 57 34263 1 . ASP 58 58 34263 1 . GLY 59 59 34263 1 . ASN 60 60 34263 1 . GLY 61 61 34263 1 . THR 62 62 34263 1 . ILE 63 63 34263 1 . ASP 64 64 34263 1 . PHE 65 65 34263 1 . PRO 66 66 34263 1 . GLU 67 67 34263 1 . PHE 68 68 34263 1 . LEU 69 69 34263 1 . THR 70 70 34263 1 . MET 71 71 34263 1 . MET 72 72 34263 1 . ALA 73 73 34263 1 . ARG 74 74 34263 1 . LYS 75 75 34263 1 . MET 76 76 34263 1 . LYS 77 77 34263 1 . ASP 78 78 34263 1 . THR 79 79 34263 1 . ASP 80 80 34263 1 . SER 81 81 34263 1 . GLU 82 82 34263 1 . GLU 83 83 34263 1 . GLU 84 84 34263 1 . ILE 85 85 34263 1 . ARG 86 86 34263 1 . GLU 87 87 34263 1 . ALA 88 88 34263 1 . PHE 89 89 34263 1 . ARG 90 90 34263 1 . VAL 91 91 34263 1 . PHE 92 92 34263 1 . ASP 93 93 34263 1 . LYS 94 94 34263 1 . ASP 95 95 34263 1 . GLY 96 96 34263 1 . ASN 97 97 34263 1 . GLY 98 98 34263 1 . TYR 99 99 34263 1 . ILE 100 100 34263 1 . SER 101 101 34263 1 . ALA 102 102 34263 1 . ALA 103 103 34263 1 . GLU 104 104 34263 1 . LEU 105 105 34263 1 . ARG 106 106 34263 1 . HIS 107 107 34263 1 . VAL 108 108 34263 1 . MET 109 109 34263 1 . THR 110 110 34263 1 . ASN 111 111 34263 1 . LEU 112 112 34263 1 . GLY 113 113 34263 1 . GLU 114 114 34263 1 . LYS 115 115 34263 1 . LEU 116 116 34263 1 . THR 117 117 34263 1 . ASP 118 118 34263 1 . GLU 119 119 34263 1 . GLU 120 120 34263 1 . VAL 121 121 34263 1 . ASP 122 122 34263 1 . GLU 123 123 34263 1 . MET 124 124 34263 1 . ILE 125 125 34263 1 . ARG 126 126 34263 1 . GLU 127 127 34263 1 . ALA 128 128 34263 1 . ASP 129 129 34263 1 . ILE 130 130 34263 1 . ASP 131 131 34263 1 . GLY 132 132 34263 1 . ASP 133 133 34263 1 . GLY 134 134 34263 1 . GLN 135 135 34263 1 . VAL 136 136 34263 1 . ASN 137 137 34263 1 . TYR 138 138 34263 1 . GLU 139 139 34263 1 . GLU 140 140 34263 1 . LEU 141 141 34263 1 . VAL 142 142 34263 1 . GLN 143 143 34263 1 . MET 144 144 34263 1 . MET 145 145 34263 1 . THR 146 146 34263 1 . ALA 147 147 34263 1 . LYS 148 148 34263 1 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 34263 _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 . . . . . . . . . . . 'CALM1, CALM, CAM, CAM1' . 34263 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 34263 _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 . . . . . . . . . . 34263 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34263 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 580 uM [U-99% 13C; U-99% 15N] Calmodulin, 2 mM HEPES, 10 mM potassium chloride, 10 mM EDTA, 2 mM sodium azide, 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 Calmodulin '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 580 . . uM . . . . 34263 1 2 HEPES 'natural abundance' . . . . . . 2 . . mM . . . . 34263 1 3 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 34263 1 4 EDTA 'natural abundance' . . . . . . 10 . . mM . . . . 34263 1 5 'sodium azide' 'natural abundance' . . . . . . 2 . . mM . . . . 34263 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 34263 _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' 24 . mM 34263 1 pH 6.55 . pH 34263 1 pressure 1 . atm 34263 1 temperature 298.1 . K 34263 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34263 _Software.ID 1 _Software.Type . _Software.Name YASARA _Software.Version 18.2.7 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Krieger and Vriend' . . 34263 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34263 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34263 _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' . . 34263 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34263 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34263 _Software.ID 3 _Software.Type . _Software.Name Analysis _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34263 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34263 3 . 'peak picking' 34263 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 34263 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _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 34263 _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 AvanceIII . 600 . . . 34263 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 34263 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34263 1 2 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34263 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34263 1 4 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34263 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34263 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34263 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34263 1 8 '3D CBCANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34263 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34263 1 10 '2D CACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34263 1 11 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34263 1 12 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34263 1 13 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34263 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34263 1 15 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34263 1 16 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34263 1 17 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34263 1 18 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34263 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 34263 _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 0.251449530 . . . . . 34263 1 H 1 TSP 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34263 1 N 15 TSP 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34263 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 34263 _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 '3D HNCO' . . . 34263 1 2 '3D HN(CA)CO' . . . 34263 1 3 '2D 1H-13C HSQC aliphatic' . . . 34263 1 4 '2D 1H-13C HSQC aromatic' . . . 34263 1 5 '2D 1H-15N HSQC' . . . 34263 1 6 '3D C(CO)NH' . . . 34263 1 7 '3D HBHA(CO)NH' . . . 34263 1 8 '3D CBCANH' . . . 34263 1 9 '3D CBCA(CO)NH' . . . 34263 1 10 '2D CACO' . . . 34263 1 11 '3D HNCACB' . . . 34263 1 12 '3D HNCA' . . . 34263 1 13 '3D H(CCO)NH' . . . 34263 1 14 '3D 1H-15N NOESY' . . . 34263 1 15 '2D (HB)CB(CGCDCE)HE' . . . 34263 1 16 '2D (HB)CB(CGCD)HD' . . . 34263 1 17 '3D 1H-13C NOESY aromatic' . . . 34263 1 18 '3D 1H-13C NOESY aliphatic' . . . 34263 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.131 0.01 . 1 . . 686 . A 1 ALA HA . 34263 1 2 . 1 1 1 1 ALA HB1 H 1 1.556 0.002 . 1 . . 687 . A 1 ALA HB1 . 34263 1 3 . 1 1 1 1 ALA HB2 H 1 1.556 0.002 . 1 . . 687 . A 1 ALA HB2 . 34263 1 4 . 1 1 1 1 ALA HB3 H 1 1.556 0.002 . 1 . . 687 . A 1 ALA HB3 . 34263 1 5 . 1 1 1 1 ALA C C 13 173.753 0.003 . 1 . . 261 . A 1 ALA C . 34263 1 6 . 1 1 1 1 ALA CA C 13 51.872 0.007 . 1 . . 1154 . A 1 ALA CA . 34263 1 7 . 1 1 1 1 ALA CB C 13 19.446 0.004 . 1 . . 1155 . A 1 ALA CB . 34263 1 8 . 1 1 2 2 ASP H H 1 8.716 0.002 . 1 . . 239 . A 2 ASP H . 34263 1 9 . 1 1 2 2 ASP HA H 1 4.634 0.008 . 1 . . 688 . A 2 ASP HA . 34263 1 10 . 1 1 2 2 ASP HB2 H 1 2.725 . . 2 . . 689 . A 2 ASP HB2 . 34263 1 11 . 1 1 2 2 ASP HB3 H 1 2.622 0.0 . 2 . . 690 . A 2 ASP HB3 . 34263 1 12 . 1 1 2 2 ASP C C 13 175.568 0.006 . 1 . . 275 . A 2 ASP C . 34263 1 13 . 1 1 2 2 ASP CA C 13 54.816 0.03 . 1 . . 603 . A 2 ASP CA . 34263 1 14 . 1 1 2 2 ASP CB C 13 41.374 0.015 . 1 . . 602 . A 2 ASP CB . 34263 1 15 . 1 1 2 2 ASP N N 15 121.627 0.04 . 1 . . 240 . A 2 ASP N . 34263 1 16 . 1 1 3 3 GLN H H 1 8.214 0.001 . 1 . . 217 . A 3 GLN H . 34263 1 17 . 1 1 3 3 GLN HA H 1 4.416 0.007 . 1 . . 691 . A 3 GLN HA . 34263 1 18 . 1 1 3 3 GLN HB2 H 1 2.114 0.007 . 2 . . 692 . A 3 GLN HB2 . 34263 1 19 . 1 1 3 3 GLN HB3 H 1 1.968 0.008 . 2 . . 693 . A 3 GLN HB3 . 34263 1 20 . 1 1 3 3 GLN HG2 H 1 2.353 0.006 . 2 . . 1015 . A 3 GLN HG2 . 34263 1 21 . 1 1 3 3 GLN HG3 H 1 2.356 0.009 . 2 . . 1016 . A 3 GLN HG3 . 34263 1 22 . 1 1 3 3 GLN C C 13 175.687 0.005 . 1 . . 309 . A 3 GLN C . 34263 1 23 . 1 1 3 3 GLN CA C 13 55.338 0.024 . 1 . . 600 . A 3 GLN CA . 34263 1 24 . 1 1 3 3 GLN CB C 13 30.384 0.072 . 1 . . 601 . A 3 GLN CB . 34263 1 25 . 1 1 3 3 GLN CG C 13 33.616 0.047 . 1 . . 978 . A 3 GLN CG . 34263 1 26 . 1 1 3 3 GLN N N 15 119.811 0.024 . 1 . . 218 . A 3 GLN N . 34263 1 27 . 1 1 4 4 LEU H H 1 8.331 0.003 . 1 . . 233 . A 4 LEU H . 34263 1 28 . 1 1 4 4 LEU HA H 1 4.614 0.005 . 1 . . 694 . A 4 LEU HA . 34263 1 29 . 1 1 4 4 LEU HB2 H 1 1.715 0.006 . 2 . . 695 . A 4 LEU HB2 . 34263 1 30 . 1 1 4 4 LEU HB3 H 1 1.396 0.006 . 2 . . 696 . A 4 LEU HB3 . 34263 1 31 . 1 1 4 4 LEU HG H 1 1.711 0.004 . 1 . . 1211 . A 4 LEU HG . 34263 1 32 . 1 1 4 4 LEU HD11 H 1 0.902 0.013 . 2 . . 1125 . A 4 LEU HD11 . 34263 1 33 . 1 1 4 4 LEU HD12 H 1 0.902 0.013 . 2 . . 1125 . A 4 LEU HD12 . 34263 1 34 . 1 1 4 4 LEU HD13 H 1 0.902 0.013 . 2 . . 1125 . A 4 LEU HD13 . 34263 1 35 . 1 1 4 4 LEU HD21 H 1 0.888 0.008 . 2 . . 1127 . A 4 LEU HD21 . 34263 1 36 . 1 1 4 4 LEU HD22 H 1 0.888 0.008 . 2 . . 1127 . A 4 LEU HD22 . 34263 1 37 . 1 1 4 4 LEU HD23 H 1 0.888 0.008 . 2 . . 1127 . A 4 LEU HD23 . 34263 1 38 . 1 1 4 4 LEU C C 13 177.585 0.005 . 1 . . 330 . A 4 LEU C . 34263 1 39 . 1 1 4 4 LEU CA C 13 54.365 0.018 . 1 . . 598 . A 4 LEU CA . 34263 1 40 . 1 1 4 4 LEU CB C 13 43.360 0.058 . 1 . . 599 . A 4 LEU CB . 34263 1 41 . 1 1 4 4 LEU CG C 13 27.141 0.027 . 1 . . 1212 . A 4 LEU CG . 34263 1 42 . 1 1 4 4 LEU CD1 C 13 27.125 0.057 . 2 . . 1126 . A 4 LEU CD1 . 34263 1 43 . 1 1 4 4 LEU CD2 C 13 23.727 0.045 . 2 . . 1128 . A 4 LEU CD2 . 34263 1 44 . 1 1 4 4 LEU N N 15 123.347 0.028 . 1 . . 234 . A 4 LEU N . 34263 1 45 . 1 1 5 5 THR H H 1 8.793 0.002 . 1 . . 162 . A 5 THR H . 34263 1 46 . 1 1 5 5 THR HA H 1 4.456 0.007 . 1 . . 698 . A 5 THR HA . 34263 1 47 . 1 1 5 5 THR HB H 1 4.794 0.005 . 1 . . 697 . A 5 THR HB . 34263 1 48 . 1 1 5 5 THR HG21 H 1 1.337 0.004 . 1 . . 1100 . A 5 THR HG21 . 34263 1 49 . 1 1 5 5 THR HG22 H 1 1.337 0.004 . 1 . . 1100 . A 5 THR HG22 . 34263 1 50 . 1 1 5 5 THR HG23 H 1 1.337 0.004 . 1 . . 1100 . A 5 THR HG23 . 34263 1 51 . 1 1 5 5 THR C C 13 175.406 0.005 . 1 . . 299 . A 5 THR C . 34263 1 52 . 1 1 5 5 THR CA C 13 60.382 0.016 . 1 . . 596 . A 5 THR CA . 34263 1 53 . 1 1 5 5 THR CB C 13 71.231 0.038 . 1 . . 597 . A 5 THR CB . 34263 1 54 . 1 1 5 5 THR CG2 C 13 21.887 0.03 . 1 . . 1116 . A 5 THR CG2 . 34263 1 55 . 1 1 5 5 THR N N 15 114.349 0.027 . 1 . . 163 . A 5 THR N . 34263 1 56 . 1 1 6 6 GLU H H 1 9.045 0.002 . 1 . . 75 . A 6 GLU H . 34263 1 57 . 1 1 6 6 GLU HA H 1 3.948 0.005 . 1 . . 699 . A 6 GLU HA . 34263 1 58 . 1 1 6 6 GLU HB2 H 1 2.052 0.007 . 2 . . 700 . A 6 GLU HB2 . 34263 1 59 . 1 1 6 6 GLU HB3 H 1 2.050 0.006 . 2 . . 701 . A 6 GLU HB3 . 34263 1 60 . 1 1 6 6 GLU HG2 H 1 2.417 0.017 . 2 . . 1024 . A 6 GLU HG2 . 34263 1 61 . 1 1 6 6 GLU HG3 H 1 2.357 0.017 . 2 . . 1025 . A 6 GLU HG3 . 34263 1 62 . 1 1 6 6 GLU C C 13 179.502 0.005 . 1 . . 332 . A 6 GLU C . 34263 1 63 . 1 1 6 6 GLU CA C 13 60.021 0.046 . 1 . . 595 . A 6 GLU CA . 34263 1 64 . 1 1 6 6 GLU CB C 13 29.223 0.083 . 1 . . 594 . A 6 GLU CB . 34263 1 65 . 1 1 6 6 GLU CG C 13 36.644 . . 1 . . 982 . A 6 GLU CG . 34263 1 66 . 1 1 6 6 GLU N N 15 121.531 0.023 . 1 . . 76 . A 6 GLU N . 34263 1 67 . 1 1 7 7 GLU H H 1 8.758 0.002 . 1 . . 223 . A 7 GLU H . 34263 1 68 . 1 1 7 7 GLU HA H 1 4.048 0.006 . 1 . . 702 . A 7 GLU HA . 34263 1 69 . 1 1 7 7 GLU HB2 H 1 2.050 0.008 . 2 . . 703 . A 7 GLU HB2 . 34263 1 70 . 1 1 7 7 GLU HB3 H 1 1.931 0.008 . 2 . . 704 . A 7 GLU HB3 . 34263 1 71 . 1 1 7 7 GLU HG2 H 1 2.400 0.008 . 2 . . 1026 . A 7 GLU HG2 . 34263 1 72 . 1 1 7 7 GLU HG3 H 1 2.292 0.01 . 2 . . 1027 . A 7 GLU HG3 . 34263 1 73 . 1 1 7 7 GLU C C 13 179.278 0.002 . 1 . . 281 . A 7 GLU C . 34263 1 74 . 1 1 7 7 GLU CA C 13 60.213 0.04 . 1 . . 593 . A 7 GLU CA . 34263 1 75 . 1 1 7 7 GLU CB C 13 28.959 0.078 . 1 . . 592 . A 7 GLU CB . 34263 1 76 . 1 1 7 7 GLU CG C 13 36.986 0.026 . 1 . . 981 . A 7 GLU CG . 34263 1 77 . 1 1 7 7 GLU N N 15 120.715 0.024 . 1 . . 224 . A 7 GLU N . 34263 1 78 . 1 1 8 8 GLN H H 1 7.760 0.005 . 1 . . 152 . A 8 GLN H . 34263 1 79 . 1 1 8 8 GLN HA H 1 3.790 0.005 . 1 . . 705 . A 8 GLN HA . 34263 1 80 . 1 1 8 8 GLN HB2 H 1 2.240 0.006 . 2 . . 706 . A 8 GLN HB2 . 34263 1 81 . 1 1 8 8 GLN HB3 H 1 1.368 0.006 . 2 . . 707 . A 8 GLN HB3 . 34263 1 82 . 1 1 8 8 GLN HG2 H 1 2.317 0.004 . 2 . . 1017 . A 8 GLN HG2 . 34263 1 83 . 1 1 8 8 GLN HG3 H 1 2.243 0.027 . 2 . . 1018 . A 8 GLN HG3 . 34263 1 84 . 1 1 8 8 GLN C C 13 177.605 0.007 . 1 . . 282 . A 8 GLN C . 34263 1 85 . 1 1 8 8 GLN CA C 13 58.694 0.013 . 1 . . 590 . A 8 GLN CA . 34263 1 86 . 1 1 8 8 GLN CB C 13 29.194 0.038 . 1 . . 591 . A 8 GLN CB . 34263 1 87 . 1 1 8 8 GLN CG C 13 34.909 0.022 . 1 . . 949 . A 8 GLN CG . 34263 1 88 . 1 1 8 8 GLN N N 15 121.914 0.029 . 1 . . 153 . A 8 GLN N . 34263 1 89 . 1 1 9 9 ILE H H 1 8.254 0.003 . 1 . . 199 . A 9 ILE H . 34263 1 90 . 1 1 9 9 ILE HA H 1 3.445 0.004 . 1 . . 709 . A 9 ILE HA . 34263 1 91 . 1 1 9 9 ILE HB H 1 1.844 0.014 . 1 . . 708 . A 9 ILE HB . 34263 1 92 . 1 1 9 9 ILE HG12 H 1 0.947 0.005 . 2 . . 1047 . A 9 ILE HG12 . 34263 1 93 . 1 1 9 9 ILE HG13 H 1 1.777 0.003 . 2 . . 1209 . A 9 ILE HG13 . 34263 1 94 . 1 1 9 9 ILE HG21 H 1 1.133 0.005 . 1 . . 1046 . A 9 ILE HG21 . 34263 1 95 . 1 1 9 9 ILE HG22 H 1 1.133 0.005 . 1 . . 1046 . A 9 ILE HG22 . 34263 1 96 . 1 1 9 9 ILE HG23 H 1 1.133 0.005 . 1 . . 1046 . A 9 ILE HG23 . 34263 1 97 . 1 1 9 9 ILE HD11 H 1 0.815 0.003 . 1 . . 1045 . A 9 ILE HD11 . 34263 1 98 . 1 1 9 9 ILE HD12 H 1 0.815 0.003 . 1 . . 1045 . A 9 ILE HD12 . 34263 1 99 . 1 1 9 9 ILE HD13 H 1 0.815 0.003 . 1 . . 1045 . A 9 ILE HD13 . 34263 1 100 . 1 1 9 9 ILE C C 13 177.697 0.005 . 1 . . 324 . A 9 ILE C . 34263 1 101 . 1 1 9 9 ILE CA C 13 66.764 0.059 . 1 . . 588 . A 9 ILE CA . 34263 1 102 . 1 1 9 9 ILE CB C 13 38.158 0.058 . 1 . . 589 . A 9 ILE CB . 34263 1 103 . 1 1 9 9 ILE CG1 C 13 30.432 0.032 . 1 . . 990 . A 9 ILE CG1 . 34263 1 104 . 1 1 9 9 ILE CG2 C 13 17.239 0.056 . 1 . . 991 . A 9 ILE CG2 . 34263 1 105 . 1 1 9 9 ILE CD1 C 13 13.235 0.012 . 1 . . 992 . A 9 ILE CD1 . 34263 1 106 . 1 1 9 9 ILE N N 15 119.800 0.021 . 1 . . 200 . A 9 ILE N . 34263 1 107 . 1 1 10 10 ALA H H 1 7.936 0.003 . 1 . . 225 . A 10 ALA H . 34263 1 108 . 1 1 10 10 ALA HA H 1 4.163 0.006 . 1 . . 710 . A 10 ALA HA . 34263 1 109 . 1 1 10 10 ALA HB1 H 1 1.518 0.004 . 1 . . 711 . A 10 ALA HB1 . 34263 1 110 . 1 1 10 10 ALA HB2 H 1 1.518 0.004 . 1 . . 711 . A 10 ALA HB2 . 34263 1 111 . 1 1 10 10 ALA HB3 H 1 1.518 0.004 . 1 . . 711 . A 10 ALA HB3 . 34263 1 112 . 1 1 10 10 ALA C C 13 180.801 0.003 . 1 . . 250 . A 10 ALA C . 34263 1 113 . 1 1 10 10 ALA CA C 13 55.337 0.025 . 1 . . 587 . A 10 ALA CA . 34263 1 114 . 1 1 10 10 ALA CB C 13 17.973 0.03 . 1 . . 586 . A 10 ALA CB . 34263 1 115 . 1 1 10 10 ALA N N 15 121.764 0.031 . 1 . . 226 . A 10 ALA N . 34263 1 116 . 1 1 11 11 GLU H H 1 7.822 0.006 . 1 . . 208 . A 11 GLU H . 34263 1 117 . 1 1 11 11 GLU HA H 1 4.151 0.004 . 1 . . 712 . A 11 GLU HA . 34263 1 118 . 1 1 11 11 GLU HB2 H 1 2.136 0.015 . 2 . . 713 . A 11 GLU HB2 . 34263 1 119 . 1 1 11 11 GLU HB3 H 1 2.113 0.005 . 2 . . 714 . A 11 GLU HB3 . 34263 1 120 . 1 1 11 11 GLU HG2 H 1 2.484 0.01 . 2 . . 1028 . A 11 GLU HG2 . 34263 1 121 . 1 1 11 11 GLU HG3 H 1 2.243 0.012 . 2 . . 1029 . A 11 GLU HG3 . 34263 1 122 . 1 1 11 11 GLU C C 13 180.300 0.003 . 1 . . 286 . A 11 GLU C . 34263 1 123 . 1 1 11 11 GLU CA C 13 59.324 0.075 . 1 . . 585 . A 11 GLU CA . 34263 1 124 . 1 1 11 11 GLU CB C 13 29.379 0.028 . 1 . . 584 . A 11 GLU CB . 34263 1 125 . 1 1 11 11 GLU CG C 13 36.027 0.055 . 1 . . 983 . A 11 GLU CG . 34263 1 126 . 1 1 11 11 GLU N N 15 121.563 0.04 . 1 . . 209 . A 11 GLU N . 34263 1 127 . 1 1 12 12 PHE H H 1 8.863 0.005 . 1 . . 156 . A 12 PHE H . 34263 1 128 . 1 1 12 12 PHE HA H 1 4.921 0.007 . 1 . . 715 . A 12 PHE HA . 34263 1 129 . 1 1 12 12 PHE HB2 H 1 3.736 0.005 . 2 . . 716 . A 12 PHE HB2 . 34263 1 130 . 1 1 12 12 PHE HB3 H 1 3.501 0.006 . 2 . . 717 . A 12 PHE HB3 . 34263 1 131 . 1 1 12 12 PHE HD1 H 1 7.133 0.003 . 1 . . 1161 . A 12 PHE HD1 . 34263 1 132 . 1 1 12 12 PHE HD2 H 1 7.133 0.003 . 1 . . 1161 . A 12 PHE HD2 . 34263 1 133 . 1 1 12 12 PHE HE1 H 1 7.299 0.005 . 1 . . 1168 . A 12 PHE HE1 . 34263 1 134 . 1 1 12 12 PHE HE2 H 1 7.299 0.005 . 1 . . 1168 . A 12 PHE HE2 . 34263 1 135 . 1 1 12 12 PHE HZ H 1 7.275 0.012 . 1 . . 370 . A 12 PHE HZ . 34263 1 136 . 1 1 12 12 PHE C C 13 178.062 0.006 . 1 . . 255 . A 12 PHE C . 34263 1 137 . 1 1 12 12 PHE CA C 13 58.294 0.049 . 1 . . 582 . A 12 PHE CA . 34263 1 138 . 1 1 12 12 PHE CB C 13 36.934 0.024 . 1 . . 583 . A 12 PHE CB . 34263 1 139 . 1 1 12 12 PHE CD1 C 13 130.751 0.035 . 1 . . 372 . A 12 PHE CD1 . 34263 1 140 . 1 1 12 12 PHE CD2 C 13 130.751 0.035 . 1 . . 372 . A 12 PHE CD2 . 34263 1 141 . 1 1 12 12 PHE CE1 C 13 131.772 0.022 . 1 . . 353 . A 12 PHE CE1 . 34263 1 142 . 1 1 12 12 PHE CE2 C 13 131.772 0.022 . 1 . . 353 . A 12 PHE CE2 . 34263 1 143 . 1 1 12 12 PHE N N 15 121.797 0.031 . 1 . . 157 . A 12 PHE N . 34263 1 144 . 1 1 13 13 LYS H H 1 9.247 0.002 . 1 . . 210 . A 13 LYS H . 34263 1 145 . 1 1 13 13 LYS HA H 1 3.749 0.004 . 1 . . 718 . A 13 LYS HA . 34263 1 146 . 1 1 13 13 LYS HB2 H 1 1.945 0.005 . 2 . . 719 . A 13 LYS HB2 . 34263 1 147 . 1 1 13 13 LYS HB3 H 1 1.801 0.008 . 2 . . 720 . A 13 LYS HB3 . 34263 1 148 . 1 1 13 13 LYS HG2 H 1 0.749 0.005 . 2 . . 1065 . A 13 LYS HG2 . 34263 1 149 . 1 1 13 13 LYS HG3 H 1 1.130 0.005 . 2 . . 1066 . A 13 LYS HG3 . 34263 1 150 . 1 1 13 13 LYS HD2 H 1 1.190 0.003 . 2 . . 1067 . A 13 LYS HD2 . 34263 1 151 . 1 1 13 13 LYS HD3 H 1 1.291 0.004 . 2 . . 1068 . A 13 LYS HD3 . 34263 1 152 . 1 1 13 13 LYS HE2 H 1 2.735 . . 2 . . 1063 . A 13 LYS HE2 . 34263 1 153 . 1 1 13 13 LYS HE3 H 1 2.661 0.005 . 2 . . 1064 . A 13 LYS HE3 . 34263 1 154 . 1 1 13 13 LYS C C 13 179.177 0.005 . 1 . . 285 . A 13 LYS C . 34263 1 155 . 1 1 13 13 LYS CA C 13 59.718 0.03 . 1 . . 581 . A 13 LYS CA . 34263 1 156 . 1 1 13 13 LYS CB C 13 32.033 0.039 . 1 . . 580 . A 13 LYS CB . 34263 1 157 . 1 1 13 13 LYS CG C 13 24.739 0.031 . 1 . . 969 . A 13 LYS CG . 34263 1 158 . 1 1 13 13 LYS CD C 13 28.633 0.049 . 1 . . 970 . A 13 LYS CD . 34263 1 159 . 1 1 13 13 LYS CE C 13 41.959 0.004 . 1 . . 971 . A 13 LYS CE . 34263 1 160 . 1 1 13 13 LYS N N 15 122.834 0.026 . 1 . . 211 . A 13 LYS N . 34263 1 161 . 1 1 14 14 GLU H H 1 8.075 0.001 . 1 . . 44 . A 14 GLU H . 34263 1 162 . 1 1 14 14 GLU HA H 1 4.059 0.005 . 1 . . 721 . A 14 GLU HA . 34263 1 163 . 1 1 14 14 GLU HB2 H 1 2.197 0.007 . 2 . . 722 . A 14 GLU HB2 . 34263 1 164 . 1 1 14 14 GLU HB3 H 1 2.196 0.008 . 2 . . 723 . A 14 GLU HB3 . 34263 1 165 . 1 1 14 14 GLU HG2 H 1 2.393 0.006 . 2 . . 1030 . A 14 GLU HG2 . 34263 1 166 . 1 1 14 14 GLU HG3 H 1 2.359 0.007 . 2 . . 1031 . A 14 GLU HG3 . 34263 1 167 . 1 1 14 14 GLU C C 13 178.816 0.004 . 1 . . 254 . A 14 GLU C . 34263 1 168 . 1 1 14 14 GLU CA C 13 59.502 0.01 . 1 . . 578 . A 14 GLU CA . 34263 1 169 . 1 1 14 14 GLU CB C 13 29.328 0.043 . 1 . . 579 . A 14 GLU CB . 34263 1 170 . 1 1 14 14 GLU CG C 13 35.954 . . 1 . . 984 . A 14 GLU CG . 34263 1 171 . 1 1 14 14 GLU N N 15 121.814 0.026 . 1 . . 45 . A 14 GLU N . 34263 1 172 . 1 1 15 15 ALA H H 1 7.665 0.003 . 1 . . 69 . A 15 ALA H . 34263 1 173 . 1 1 15 15 ALA HA H 1 4.332 0.007 . 1 . . 724 . A 15 ALA HA . 34263 1 174 . 1 1 15 15 ALA HB1 H 1 1.710 0.004 . 1 . . 725 . A 15 ALA HB1 . 34263 1 175 . 1 1 15 15 ALA HB2 H 1 1.710 0.004 . 1 . . 725 . A 15 ALA HB2 . 34263 1 176 . 1 1 15 15 ALA HB3 H 1 1.710 0.004 . 1 . . 725 . A 15 ALA HB3 . 34263 1 177 . 1 1 15 15 ALA C C 13 179.026 0.005 . 1 . . 244 . A 15 ALA C . 34263 1 178 . 1 1 15 15 ALA CA C 13 55.118 0.031 . 1 . . 575 . A 15 ALA CA . 34263 1 179 . 1 1 15 15 ALA CB C 13 19.359 0.036 . 1 . . 574 . A 15 ALA CB . 34263 1 180 . 1 1 15 15 ALA N N 15 122.215 0.025 . 1 . . 70 . A 15 ALA N . 34263 1 181 . 1 1 16 16 PHE H H 1 8.559 0.001 . 1 . . 95 . A 16 PHE H . 34263 1 182 . 1 1 16 16 PHE HA H 1 3.761 0.006 . 1 . . 726 . A 16 PHE HA . 34263 1 183 . 1 1 16 16 PHE HB2 H 1 3.209 0.004 . 2 . . 727 . A 16 PHE HB2 . 34263 1 184 . 1 1 16 16 PHE HB3 H 1 2.905 0.006 . 2 . . 728 . A 16 PHE HB3 . 34263 1 185 . 1 1 16 16 PHE HD1 H 1 6.505 0.003 . 1 . . 1159 . A 16 PHE HD1 . 34263 1 186 . 1 1 16 16 PHE HD2 H 1 6.505 0.003 . 1 . . 1159 . A 16 PHE HD2 . 34263 1 187 . 1 1 16 16 PHE HE1 H 1 6.899 0.004 . 1 . . 1170 . A 16 PHE HE1 . 34263 1 188 . 1 1 16 16 PHE HE2 H 1 6.899 0.004 . 1 . . 1170 . A 16 PHE HE2 . 34263 1 189 . 1 1 16 16 PHE HZ H 1 7.433 0.005 . 1 . . 1189 . A 16 PHE HZ . 34263 1 190 . 1 1 16 16 PHE C C 13 177.452 0.004 . 1 . . 297 . A 16 PHE C . 34263 1 191 . 1 1 16 16 PHE CA C 13 61.956 0.028 . 1 . . 577 . A 16 PHE CA . 34263 1 192 . 1 1 16 16 PHE CB C 13 40.858 0.024 . 1 . . 576 . A 16 PHE CB . 34263 1 193 . 1 1 16 16 PHE CD1 C 13 132.721 0.041 . 1 . . 373 . A 16 PHE CD1 . 34263 1 194 . 1 1 16 16 PHE CD2 C 13 132.721 0.041 . 1 . . 373 . A 16 PHE CD2 . 34263 1 195 . 1 1 16 16 PHE CE1 C 13 131.838 0.018 . 1 . . 382 . A 16 PHE CE1 . 34263 1 196 . 1 1 16 16 PHE CE2 C 13 131.838 0.018 . 1 . . 382 . A 16 PHE CE2 . 34263 1 197 . 1 1 16 16 PHE CZ C 13 131.149 . . 1 . . 1239 . A 16 PHE CZ . 34263 1 198 . 1 1 16 16 PHE N N 15 119.222 0.025 . 1 . . 96 . A 16 PHE N . 34263 1 199 . 1 1 17 17 SER H H 1 8.457 0.001 . 1 . . 106 . A 17 SER H . 34263 1 200 . 1 1 17 17 SER HA H 1 4.265 0.004 . 1 . . 729 . A 17 SER HA . 34263 1 201 . 1 1 17 17 SER HB2 H 1 4.073 0.005 . 1 . . 730 . A 17 SER HB2 . 34263 1 202 . 1 1 17 17 SER HB3 H 1 4.073 0.005 . 1 . . 731 . A 17 SER HB3 . 34263 1 203 . 1 1 17 17 SER C C 13 175.933 0.004 . 1 . . 321 . A 17 SER C . 34263 1 204 . 1 1 17 17 SER CA C 13 61.695 0.052 . 1 . . 605 . A 17 SER CA . 34263 1 205 . 1 1 17 17 SER CB C 13 63.251 0.033 . 1 . . 604 . A 17 SER CB . 34263 1 206 . 1 1 17 17 SER N N 15 112.432 0.037 . 1 . . 107 . A 17 SER N . 34263 1 207 . 1 1 18 18 LEU H H 1 7.382 0.002 . 1 . . 123 . A 18 LEU H . 34263 1 208 . 1 1 18 18 LEU HA H 1 3.953 0.005 . 1 . . 732 . A 18 LEU HA . 34263 1 209 . 1 1 18 18 LEU HB2 H 1 1.748 0.005 . 2 . . 733 . A 18 LEU HB2 . 34263 1 210 . 1 1 18 18 LEU HB3 H 1 1.151 0.008 . 2 . . 734 . A 18 LEU HB3 . 34263 1 211 . 1 1 18 18 LEU HG H 1 1.664 0.002 . 1 . . 1129 . A 18 LEU HG . 34263 1 212 . 1 1 18 18 LEU HD11 H 1 0.779 0.006 . 2 . . 1058 . A 18 LEU HD11 . 34263 1 213 . 1 1 18 18 LEU HD12 H 1 0.779 0.006 . 2 . . 1058 . A 18 LEU HD12 . 34263 1 214 . 1 1 18 18 LEU HD13 H 1 0.779 0.006 . 2 . . 1058 . A 18 LEU HD13 . 34263 1 215 . 1 1 18 18 LEU HD21 H 1 0.911 0.006 . 2 . . 1059 . A 18 LEU HD21 . 34263 1 216 . 1 1 18 18 LEU HD22 H 1 0.911 0.006 . 2 . . 1059 . A 18 LEU HD22 . 34263 1 217 . 1 1 18 18 LEU HD23 H 1 0.911 0.006 . 2 . . 1059 . A 18 LEU HD23 . 34263 1 218 . 1 1 18 18 LEU C C 13 177.918 0.005 . 1 . . 318 . A 18 LEU C . 34263 1 219 . 1 1 18 18 LEU CA C 13 57.043 0.045 . 1 . . 572 . A 18 LEU CA . 34263 1 220 . 1 1 18 18 LEU CB C 13 41.710 0.02 . 1 . . 573 . A 18 LEU CB . 34263 1 221 . 1 1 18 18 LEU CG C 13 26.345 0.031 . 1 . . 1130 . A 18 LEU CG . 34263 1 222 . 1 1 18 18 LEU CD1 C 13 23.148 0.063 . 2 . . 1002 . A 18 LEU CD1 . 34263 1 223 . 1 1 18 18 LEU CD2 C 13 24.757 0.07 . 2 . . 1001 . A 18 LEU CD2 . 34263 1 224 . 1 1 18 18 LEU N N 15 122.545 0.033 . 1 . . 124 . A 18 LEU N . 34263 1 225 . 1 1 19 19 PHE H H 1 7.421 0.002 . 1 . . 189 . A 19 PHE H . 34263 1 226 . 1 1 19 19 PHE HA H 1 4.332 0.004 . 1 . . 735 . A 19 PHE HA . 34263 1 227 . 1 1 19 19 PHE HB2 H 1 3.192 0.006 . 2 . . 736 . A 19 PHE HB2 . 34263 1 228 . 1 1 19 19 PHE HB3 H 1 2.424 0.006 . 2 . . 737 . A 19 PHE HB3 . 34263 1 229 . 1 1 19 19 PHE HD1 H 1 7.324 0.002 . 1 . . 1160 . A 19 PHE HD1 . 34263 1 230 . 1 1 19 19 PHE HD2 H 1 7.324 0.002 . 1 . . 1160 . A 19 PHE HD2 . 34263 1 231 . 1 1 19 19 PHE HE1 H 1 7.300 . . 1 . . 1244 . A 19 PHE HE1 . 34263 1 232 . 1 1 19 19 PHE HE2 H 1 7.300 . . 1 . . 1244 . A 19 PHE HE2 . 34263 1 233 . 1 1 19 19 PHE C C 13 174.494 0.005 . 1 . . 325 . A 19 PHE C . 34263 1 234 . 1 1 19 19 PHE CA C 13 58.395 0.024 . 1 . . 570 . A 19 PHE CA . 34263 1 235 . 1 1 19 19 PHE CB C 13 39.735 0.033 . 1 . . 571 . A 19 PHE CB . 34263 1 236 . 1 1 19 19 PHE CD1 C 13 132.994 0.017 . 1 . . 365 . A 19 PHE CD1 . 34263 1 237 . 1 1 19 19 PHE CD2 C 13 132.994 0.017 . 1 . . 365 . A 19 PHE CD2 . 34263 1 238 . 1 1 19 19 PHE N N 15 116.085 0.026 . 1 . . 190 . A 19 PHE N . 34263 1 239 . 1 1 20 20 ASP H H 1 7.323 0.002 . 1 . . 134 . A 20 ASP H . 34263 1 240 . 1 1 20 20 ASP HA H 1 4.975 0.006 . 1 . . 738 . A 20 ASP HA . 34263 1 241 . 1 1 20 20 ASP HB2 H 1 2.879 0.007 . 2 . . 739 . A 20 ASP HB2 . 34263 1 242 . 1 1 20 20 ASP HB3 H 1 2.329 0.006 . 2 . . 740 . A 20 ASP HB3 . 34263 1 243 . 1 1 20 20 ASP C C 13 176.979 0.001 . 1 . . 263 . A 20 ASP C . 34263 1 244 . 1 1 20 20 ASP CA C 13 52.611 0.044 . 1 . . 568 . A 20 ASP CA . 34263 1 245 . 1 1 20 20 ASP CB C 13 39.848 0.025 . 1 . . 569 . A 20 ASP CB . 34263 1 246 . 1 1 20 20 ASP N N 15 123.911 0.024 . 1 . . 135 . A 20 ASP N . 34263 1 247 . 1 1 21 21 LYS H H 1 8.060 0.001 . 1 . . 71 . A 21 LYS H . 34263 1 248 . 1 1 21 21 LYS HA H 1 4.076 0.006 . 1 . . 741 . A 21 LYS HA . 34263 1 249 . 1 1 21 21 LYS HB2 H 1 1.845 0.007 . 2 . . 742 . A 21 LYS HB2 . 34263 1 250 . 1 1 21 21 LYS HB3 H 1 1.845 0.007 . 2 . . 743 . A 21 LYS HB3 . 34263 1 251 . 1 1 21 21 LYS HG2 H 1 1.471 0.0 . 2 . . 1071 . A 21 LYS HG2 . 34263 1 252 . 1 1 21 21 LYS HG3 H 1 1.497 . . 2 . . 1072 . A 21 LYS HG3 . 34263 1 253 . 1 1 21 21 LYS HD2 H 1 1.702 0.007 . 1 . . 1073 . A 21 LYS HD2 . 34263 1 254 . 1 1 21 21 LYS HD3 H 1 1.702 0.007 . 1 . . 1074 . A 21 LYS HD3 . 34263 1 255 . 1 1 21 21 LYS HE2 H 1 3.043 . . 1 . . 1069 . A 21 LYS HE2 . 34263 1 256 . 1 1 21 21 LYS HE3 H 1 3.043 . . 1 . . 1070 . A 21 LYS HE3 . 34263 1 257 . 1 1 21 21 LYS C C 13 177.846 0.005 . 1 . . 247 . A 21 LYS C . 34263 1 258 . 1 1 21 21 LYS CA C 13 58.366 0.04 . 1 . . 566 . A 21 LYS CA . 34263 1 259 . 1 1 21 21 LYS CB C 13 32.514 0.013 . 1 . . 567 . A 21 LYS CB . 34263 1 260 . 1 1 21 21 LYS CG C 13 24.451 0.0 . 1 . . 968 . A 21 LYS CG . 34263 1 261 . 1 1 21 21 LYS CD C 13 28.694 0.065 . 1 . . 967 . A 21 LYS CD . 34263 1 262 . 1 1 21 21 LYS CE C 13 42.090 0.0 . 1 . . 966 . A 21 LYS CE . 34263 1 263 . 1 1 21 21 LYS N N 15 125.020 0.024 . 1 . . 72 . A 21 LYS N . 34263 1 264 . 1 1 22 22 ASP H H 1 8.728 0.003 . 1 . . 46 . A 22 ASP H . 34263 1 265 . 1 1 22 22 ASP HA H 1 4.777 0.004 . 1 . . 744 . A 22 ASP HA . 34263 1 266 . 1 1 22 22 ASP HB2 H 1 2.775 . . 2 . . 745 . A 22 ASP HB2 . 34263 1 267 . 1 1 22 22 ASP HB3 H 1 2.670 . . 2 . . 746 . A 22 ASP HB3 . 34263 1 268 . 1 1 22 22 ASP C C 13 176.847 0.003 . 1 . . 280 . A 22 ASP C . 34263 1 269 . 1 1 22 22 ASP CA C 13 54.343 0.018 . 1 . . 565 . A 22 ASP CA . 34263 1 270 . 1 1 22 22 ASP CB C 13 41.199 0.006 . 1 . . 564 . A 22 ASP CB . 34263 1 271 . 1 1 22 22 ASP N N 15 118.274 0.029 . 1 . . 47 . A 22 ASP N . 34263 1 272 . 1 1 23 23 GLY H H 1 8.017 0.002 . 1 . . 42 . A 23 GLY H . 34263 1 273 . 1 1 23 23 GLY HA2 H 1 3.982 0.008 . 2 . . 747 . A 23 GLY HA2 . 34263 1 274 . 1 1 23 23 GLY HA3 H 1 3.853 0.011 . 2 . . 748 . A 23 GLY HA3 . 34263 1 275 . 1 1 23 23 GLY C C 13 175.217 0.008 . 1 . . 246 . A 23 GLY C . 34263 1 276 . 1 1 23 23 GLY CA C 13 46.861 0.032 . 1 . . 563 . A 23 GLY CA . 34263 1 277 . 1 1 23 23 GLY N N 15 111.877 0.026 . 1 . . 43 . A 23 GLY N . 34263 1 278 . 1 1 24 24 ASP H H 1 8.787 0.002 . 1 . . 52 . A 24 ASP H . 34263 1 279 . 1 1 24 24 ASP HA H 1 4.718 0.007 . 1 . . 749 . A 24 ASP HA . 34263 1 280 . 1 1 24 24 ASP HB2 H 1 2.962 0.003 . 2 . . 750 . A 24 ASP HB2 . 34263 1 281 . 1 1 24 24 ASP HB3 H 1 2.573 0.007 . 2 . . 751 . A 24 ASP HB3 . 34263 1 282 . 1 1 24 24 ASP C C 13 177.367 0.006 . 1 . . 322 . A 24 ASP C . 34263 1 283 . 1 1 24 24 ASP CA C 13 53.669 0.031 . 1 . . 562 . A 24 ASP CA . 34263 1 284 . 1 1 24 24 ASP CB C 13 41.342 0.049 . 1 . . 561 . A 24 ASP CB . 34263 1 285 . 1 1 24 24 ASP N N 15 122.179 0.052 . 1 . . 53 . A 24 ASP N . 34263 1 286 . 1 1 25 25 GLY H H 1 10.229 0.002 . 1 . . 145 . A 25 GLY H . 34263 1 287 . 1 1 25 25 GLY HA2 H 1 4.300 0.006 . 2 . . 752 . A 25 GLY HA2 . 34263 1 288 . 1 1 25 25 GLY HA3 H 1 3.895 . . 2 . . 753 . A 25 GLY HA3 . 34263 1 289 . 1 1 25 25 GLY C C 13 174.178 0.009 . 1 . . 283 . A 25 GLY C . 34263 1 290 . 1 1 25 25 GLY CA C 13 45.938 0.026 . 1 . . 560 . A 25 GLY CA . 34263 1 291 . 1 1 25 25 GLY N N 15 113.461 0.027 . 1 . . 146 . A 25 GLY N . 34263 1 292 . 1 1 26 26 THR H H 1 7.682 0.004 . 1 . . 93 . A 26 THR H . 34263 1 293 . 1 1 26 26 THR HA H 1 5.556 0.008 . 1 . . 754 . A 26 THR HA . 34263 1 294 . 1 1 26 26 THR HB H 1 4.074 0.004 . 1 . . 755 . A 26 THR HB . 34263 1 295 . 1 1 26 26 THR HG21 H 1 1.090 0.005 . 1 . . 1101 . A 26 THR HG21 . 34263 1 296 . 1 1 26 26 THR HG22 H 1 1.090 0.005 . 1 . . 1101 . A 26 THR HG22 . 34263 1 297 . 1 1 26 26 THR HG23 H 1 1.090 0.005 . 1 . . 1101 . A 26 THR HG23 . 34263 1 298 . 1 1 26 26 THR C C 13 172.967 0.003 . 1 . . 305 . A 26 THR C . 34263 1 299 . 1 1 26 26 THR CA C 13 59.852 0.029 . 1 . . 558 . A 26 THR CA . 34263 1 300 . 1 1 26 26 THR CB C 13 73.162 0.032 . 1 . . 559 . A 26 THR CB . 34263 1 301 . 1 1 26 26 THR CG2 C 13 21.648 0.027 . 1 . . 1115 . A 26 THR CG2 . 34263 1 302 . 1 1 26 26 THR N N 15 111.324 0.029 . 1 . . 94 . A 26 THR N . 34263 1 303 . 1 1 27 27 ILE H H 1 8.306 0.003 . 1 . . 12 . A 27 ILE H . 34263 1 304 . 1 1 27 27 ILE HA H 1 4.808 0.005 . 1 . . 756 . A 27 ILE HA . 34263 1 305 . 1 1 27 27 ILE HB H 1 1.700 0.005 . 1 . . 757 . A 27 ILE HB . 34263 1 306 . 1 1 27 27 ILE HG12 H 1 1.084 0.004 . 2 . . 1230 . A 27 ILE HG12 . 34263 1 307 . 1 1 27 27 ILE HG13 H 1 0.787 0.007 . 2 . . 1231 . A 27 ILE HG13 . 34263 1 308 . 1 1 27 27 ILE HG21 H 1 -0.123 0.006 . 1 . . 1049 . A 27 ILE HG21 . 34263 1 309 . 1 1 27 27 ILE HG22 H 1 -0.123 0.006 . 1 . . 1049 . A 27 ILE HG22 . 34263 1 310 . 1 1 27 27 ILE HG23 H 1 -0.123 0.006 . 1 . . 1049 . A 27 ILE HG23 . 34263 1 311 . 1 1 27 27 ILE HD11 H 1 0.327 0.005 . 1 . . 1048 . A 27 ILE HD11 . 34263 1 312 . 1 1 27 27 ILE HD12 H 1 0.327 0.005 . 1 . . 1048 . A 27 ILE HD12 . 34263 1 313 . 1 1 27 27 ILE HD13 H 1 0.327 0.005 . 1 . . 1048 . A 27 ILE HD13 . 34263 1 314 . 1 1 27 27 ILE C C 13 176.001 0.002 . 1 . . 284 . A 27 ILE C . 34263 1 315 . 1 1 27 27 ILE CA C 13 59.241 0.041 . 1 . . 557 . A 27 ILE CA . 34263 1 316 . 1 1 27 27 ILE CB C 13 41.432 0.046 . 1 . . 556 . A 27 ILE CB . 34263 1 317 . 1 1 27 27 ILE CG1 C 13 24.772 0.055 . 1 . . 995 . A 27 ILE CG1 . 34263 1 318 . 1 1 27 27 ILE CG2 C 13 16.169 0.035 . 1 . . 994 . A 27 ILE CG2 . 34263 1 319 . 1 1 27 27 ILE CD1 C 13 13.738 0.033 . 1 . . 993 . A 27 ILE CD1 . 34263 1 320 . 1 1 27 27 ILE N N 15 111.938 0.03 . 1 . . 13 . A 27 ILE N . 34263 1 321 . 1 1 28 28 THR H H 1 8.336 0.003 . 1 . . 36 . A 28 THR H . 34263 1 322 . 1 1 28 28 THR HA H 1 5.078 0.004 . 1 . . 758 . A 28 THR HA . 34263 1 323 . 1 1 28 28 THR HB H 1 4.659 0.005 . 1 . . 759 . A 28 THR HB . 34263 1 324 . 1 1 28 28 THR HG21 H 1 1.347 0.005 . 1 . . 1102 . A 28 THR HG21 . 34263 1 325 . 1 1 28 28 THR HG22 H 1 1.347 0.005 . 1 . . 1102 . A 28 THR HG22 . 34263 1 326 . 1 1 28 28 THR HG23 H 1 1.347 0.005 . 1 . . 1102 . A 28 THR HG23 . 34263 1 327 . 1 1 28 28 THR C C 13 176.853 0.004 . 1 . . 314 . A 28 THR C . 34263 1 328 . 1 1 28 28 THR CA C 13 60.609 0.017 . 1 . . 554 . A 28 THR CA . 34263 1 329 . 1 1 28 28 THR CB C 13 70.633 0.062 . 1 . . 555 . A 28 THR CB . 34263 1 330 . 1 1 28 28 THR CG2 C 13 22.051 0.044 . 1 . . 1117 . A 28 THR CG2 . 34263 1 331 . 1 1 28 28 THR N N 15 112.106 0.029 . 1 . . 37 . A 28 THR N . 34263 1 332 . 1 1 29 29 THR H H 1 8.339 0.002 . 1 . . 227 . A 29 THR H . 34263 1 333 . 1 1 29 29 THR HA H 1 3.763 0.005 . 1 . . 761 . A 29 THR HA . 34263 1 334 . 1 1 29 29 THR HB H 1 4.262 0.004 . 1 . . 760 . A 29 THR HB . 34263 1 335 . 1 1 29 29 THR HG21 H 1 1.186 0.027 . 1 . . 1103 . A 29 THR HG21 . 34263 1 336 . 1 1 29 29 THR HG22 H 1 1.186 0.027 . 1 . . 1103 . A 29 THR HG22 . 34263 1 337 . 1 1 29 29 THR HG23 H 1 1.186 0.027 . 1 . . 1103 . A 29 THR HG23 . 34263 1 338 . 1 1 29 29 THR C C 13 177.176 0.003 . 1 . . 295 . A 29 THR C . 34263 1 339 . 1 1 29 29 THR CA C 13 65.112 0.05 . 1 . . 552 . A 29 THR CA . 34263 1 340 . 1 1 29 29 THR CB C 13 67.490 0.022 . 1 . . 553 . A 29 THR CB . 34263 1 341 . 1 1 29 29 THR CG2 C 13 23.540 0.037 . 1 . . 1114 . A 29 THR CG2 . 34263 1 342 . 1 1 29 29 THR N N 15 114.000 0.028 . 1 . . 228 . A 29 THR N . 34263 1 343 . 1 1 30 30 LYS H H 1 7.668 0.002 . 1 . . 22 . A 30 LYS H . 34263 1 344 . 1 1 30 30 LYS HA H 1 4.168 0.005 . 1 . . 762 . A 30 LYS HA . 34263 1 345 . 1 1 30 30 LYS HB2 H 1 1.874 0.005 . 1 . . 763 . A 30 LYS HB2 . 34263 1 346 . 1 1 30 30 LYS HB3 H 1 1.874 0.005 . 1 . . 764 . A 30 LYS HB3 . 34263 1 347 . 1 1 30 30 LYS HG2 H 1 1.521 0.003 . 1 . . 1078 . A 30 LYS HG2 . 34263 1 348 . 1 1 30 30 LYS HG3 H 1 1.521 0.003 . 1 . . 1079 . A 30 LYS HG3 . 34263 1 349 . 1 1 30 30 LYS HD2 H 1 1.707 0.014 . 1 . . 1077 . A 30 LYS HD2 . 34263 1 350 . 1 1 30 30 LYS HD3 H 1 1.707 0.014 . 1 . . 1183 . A 30 LYS HD3 . 34263 1 351 . 1 1 30 30 LYS HE2 H 1 3.048 . . 1 . . 1075 . A 30 LYS HE2 . 34263 1 352 . 1 1 30 30 LYS HE3 H 1 3.048 . . 1 . . 1076 . A 30 LYS HE3 . 34263 1 353 . 1 1 30 30 LYS C C 13 178.000 0.005 . 1 . . 251 . A 30 LYS C . 34263 1 354 . 1 1 30 30 LYS CA C 13 58.357 0.039 . 1 . . 550 . A 30 LYS CA . 34263 1 355 . 1 1 30 30 LYS CB C 13 32.258 0.043 . 1 . . 551 . A 30 LYS CB . 34263 1 356 . 1 1 30 30 LYS CG C 13 24.964 0.024 . 1 . . 963 . A 30 LYS CG . 34263 1 357 . 1 1 30 30 LYS CD C 13 29.064 0.004 . 1 . . 964 . A 30 LYS CD . 34263 1 358 . 1 1 30 30 LYS CE C 13 42.133 . . 1 . . 965 . A 30 LYS CE . 34263 1 359 . 1 1 30 30 LYS N N 15 120.228 0.03 . 1 . . 23 . A 30 LYS N . 34263 1 360 . 1 1 31 31 GLU H H 1 7.542 0.002 . 1 . . 215 . A 31 GLU H . 34263 1 361 . 1 1 31 31 GLU HA H 1 4.447 0.005 . 1 . . 1032 . A 31 GLU HA . 34263 1 362 . 1 1 31 31 GLU HB2 H 1 1.879 0.003 . 1 . . 765 . A 31 GLU HB2 . 34263 1 363 . 1 1 31 31 GLU HB3 H 1 1.879 0.003 . 1 . . 766 . A 31 GLU HB3 . 34263 1 364 . 1 1 31 31 GLU HG2 H 1 2.186 0.001 . 2 . . 1033 . A 31 GLU HG2 . 34263 1 365 . 1 1 31 31 GLU HG3 H 1 2.190 0.008 . 2 . . 1034 . A 31 GLU HG3 . 34263 1 366 . 1 1 31 31 GLU C C 13 176.231 0.005 . 1 . . 304 . A 31 GLU C . 34263 1 367 . 1 1 31 31 GLU CA C 13 55.987 0.03 . 1 . . 549 . A 31 GLU CA . 34263 1 368 . 1 1 31 31 GLU CB C 13 29.760 0.018 . 1 . . 548 . A 31 GLU CB . 34263 1 369 . 1 1 31 31 GLU CG C 13 36.596 0.043 . 1 . . 985 . A 31 GLU CG . 34263 1 370 . 1 1 31 31 GLU N N 15 118.790 0.031 . 1 . . 216 . A 31 GLU N . 34263 1 371 . 1 1 32 32 LEU H H 1 7.372 0.002 . 1 . . 119 . A 32 LEU H . 34263 1 372 . 1 1 32 32 LEU HA H 1 3.800 0.003 . 1 . . 767 . A 32 LEU HA . 34263 1 373 . 1 1 32 32 LEU HB2 H 1 1.912 0.005 . 2 . . 768 . A 32 LEU HB2 . 34263 1 374 . 1 1 32 32 LEU HB3 H 1 1.421 0.006 . 2 . . 769 . A 32 LEU HB3 . 34263 1 375 . 1 1 32 32 LEU HG H 1 1.558 0.003 . 1 . . 1062 . A 32 LEU HG . 34263 1 376 . 1 1 32 32 LEU HD11 H 1 1.077 0.003 . 2 . . 1060 . A 32 LEU HD11 . 34263 1 377 . 1 1 32 32 LEU HD12 H 1 1.077 0.003 . 2 . . 1060 . A 32 LEU HD12 . 34263 1 378 . 1 1 32 32 LEU HD13 H 1 1.077 0.003 . 2 . . 1060 . A 32 LEU HD13 . 34263 1 379 . 1 1 32 32 LEU HD21 H 1 0.939 0.001 . 2 . . 1124 . A 32 LEU HD21 . 34263 1 380 . 1 1 32 32 LEU HD22 H 1 0.939 0.001 . 2 . . 1124 . A 32 LEU HD22 . 34263 1 381 . 1 1 32 32 LEU HD23 H 1 0.939 0.001 . 2 . . 1124 . A 32 LEU HD23 . 34263 1 382 . 1 1 32 32 LEU C C 13 178.157 0.003 . 1 . . 292 . A 32 LEU C . 34263 1 383 . 1 1 32 32 LEU CA C 13 58.690 0.015 . 1 . . 547 . A 32 LEU CA . 34263 1 384 . 1 1 32 32 LEU CB C 13 41.867 0.046 . 1 . . 546 . A 32 LEU CB . 34263 1 385 . 1 1 32 32 LEU CG C 13 27.205 0.019 . 1 . . 1004 . A 32 LEU CG . 34263 1 386 . 1 1 32 32 LEU CD1 C 13 23.375 0.02 . 2 . . 1003 . A 32 LEU CD1 . 34263 1 387 . 1 1 32 32 LEU CD2 C 13 26.257 0.001 . 2 . . 351 . A 32 LEU CD2 . 34263 1 388 . 1 1 32 32 LEU N N 15 122.351 0.037 . 1 . . 120 . A 32 LEU N . 34263 1 389 . 1 1 33 33 GLY H H 1 8.845 0.001 . 1 . . 58 . A 33 GLY H . 34263 1 390 . 1 1 33 33 GLY HA2 H 1 3.843 0.003 . 2 . . 770 . A 33 GLY HA2 . 34263 1 391 . 1 1 33 33 GLY HA3 H 1 3.501 0.004 . 2 . . 771 . A 33 GLY HA3 . 34263 1 392 . 1 1 33 33 GLY C C 13 174.974 0.005 . 1 . . 256 . A 33 GLY C . 34263 1 393 . 1 1 33 33 GLY CA C 13 48.150 0.039 . 1 . . 545 . A 33 GLY CA . 34263 1 394 . 1 1 33 33 GLY N N 15 106.821 0.044 . 1 . . 59 . A 33 GLY N . 34263 1 395 . 1 1 34 34 THR H H 1 7.542 0.001 . 1 . . 160 . A 34 THR H . 34263 1 396 . 1 1 34 34 THR HA H 1 3.794 0.004 . 1 . . 685 . A 34 THR HA . 34263 1 397 . 1 1 34 34 THR HB H 1 4.009 0.003 . 1 . . 684 . A 34 THR HB . 34263 1 398 . 1 1 34 34 THR HG21 H 1 1.225 0.003 . 1 . . 1104 . A 34 THR HG21 . 34263 1 399 . 1 1 34 34 THR HG22 H 1 1.225 0.003 . 1 . . 1104 . A 34 THR HG22 . 34263 1 400 . 1 1 34 34 THR HG23 H 1 1.225 0.003 . 1 . . 1104 . A 34 THR HG23 . 34263 1 401 . 1 1 34 34 THR C C 13 177.273 0.004 . 1 . . 272 . A 34 THR C . 34263 1 402 . 1 1 34 34 THR CA C 13 66.068 0.047 . 1 . . 544 . A 34 THR CA . 34263 1 403 . 1 1 34 34 THR CB C 13 68.286 0.065 . 1 . . 543 . A 34 THR CB . 34263 1 404 . 1 1 34 34 THR CG2 C 13 23.345 0.025 . 1 . . 1118 . A 34 THR CG2 . 34263 1 405 . 1 1 34 34 THR N N 15 119.745 0.031 . 1 . . 161 . A 34 THR N . 34263 1 406 . 1 1 35 35 VAL H H 1 7.985 0.001 . 1 . . 175 . A 35 VAL H . 34263 1 407 . 1 1 35 35 VAL HA H 1 3.361 0.004 . 1 . . 773 . A 35 VAL HA . 34263 1 408 . 1 1 35 35 VAL HB H 1 1.877 0.007 . 1 . . 774 . A 35 VAL HB . 34263 1 409 . 1 1 35 35 VAL HG11 H 1 0.719 0.004 . 2 . . 1110 . A 35 VAL HG11 . 34263 1 410 . 1 1 35 35 VAL HG12 H 1 0.719 0.004 . 2 . . 1110 . A 35 VAL HG12 . 34263 1 411 . 1 1 35 35 VAL HG13 H 1 0.719 0.004 . 2 . . 1110 . A 35 VAL HG13 . 34263 1 412 . 1 1 35 35 VAL HG21 H 1 0.526 0.004 . 2 . . 1111 . A 35 VAL HG21 . 34263 1 413 . 1 1 35 35 VAL HG22 H 1 0.526 0.004 . 2 . . 1111 . A 35 VAL HG22 . 34263 1 414 . 1 1 35 35 VAL HG23 H 1 0.526 0.004 . 2 . . 1111 . A 35 VAL HG23 . 34263 1 415 . 1 1 35 35 VAL C C 13 179.306 0.01 . 1 . . 327 . A 35 VAL C . 34263 1 416 . 1 1 35 35 VAL CA C 13 66.426 0.029 . 1 . . 542 . A 35 VAL CA . 34263 1 417 . 1 1 35 35 VAL CB C 13 31.273 0.034 . 1 . . 541 . A 35 VAL CB . 34263 1 418 . 1 1 35 35 VAL CG1 C 13 22.100 0.059 . 2 . . 1006 . A 35 VAL CG1 . 34263 1 419 . 1 1 35 35 VAL CG2 C 13 22.561 0.065 . 2 . . 1005 . A 35 VAL CG2 . 34263 1 420 . 1 1 35 35 VAL N N 15 124.088 0.026 . 1 . . 176 . A 35 VAL N . 34263 1 421 . 1 1 36 36 MET H H 1 8.489 0.002 . 1 . . 108 . A 36 MET H . 34263 1 422 . 1 1 36 36 MET HA H 1 4.001 0.004 . 1 . . 777 . A 36 MET HA . 34263 1 423 . 1 1 36 36 MET HB2 H 1 2.107 0.001 . 2 . . 778 . A 36 MET HB2 . 34263 1 424 . 1 1 36 36 MET HB3 H 1 1.889 0.003 . 2 . . 779 . A 36 MET HB3 . 34263 1 425 . 1 1 36 36 MET HG2 H 1 2.535 0.015 . 2 . . 1088 . A 36 MET HG2 . 34263 1 426 . 1 1 36 36 MET HG3 H 1 2.800 0.008 . 2 . . 1089 . A 36 MET HG3 . 34263 1 427 . 1 1 36 36 MET HE1 H 1 1.862 0.002 . 1 . . 1151 . A 36 MET HE1 . 34263 1 428 . 1 1 36 36 MET HE2 H 1 1.862 0.002 . 1 . . 1151 . A 36 MET HE2 . 34263 1 429 . 1 1 36 36 MET HE3 H 1 1.862 0.002 . 1 . . 1151 . A 36 MET HE3 . 34263 1 430 . 1 1 36 36 MET C C 13 178.976 0.006 . 1 . . 274 . A 36 MET C . 34263 1 431 . 1 1 36 36 MET CA C 13 60.383 0.073 . 1 . . 539 . A 36 MET CA . 34263 1 432 . 1 1 36 36 MET CB C 13 31.991 0.03 . 1 . . 540 . A 36 MET CB . 34263 1 433 . 1 1 36 36 MET CG C 13 33.258 0.057 . 1 . . 975 . A 36 MET CG . 34263 1 434 . 1 1 36 36 MET CE C 13 17.401 0.066 . 1 . . 1150 . A 36 MET CE . 34263 1 435 . 1 1 36 36 MET N N 15 120.034 0.033 . 1 . . 109 . A 36 MET N . 34263 1 436 . 1 1 37 37 ARG H H 1 8.547 0.002 . 1 . . 197 . A 37 ARG H . 34263 1 437 . 1 1 37 37 ARG HA H 1 4.725 0.005 . 1 . . 780 . A 37 ARG HA . 34263 1 438 . 1 1 37 37 ARG HB2 H 1 1.929 0.003 . 1 . . 781 . A 37 ARG HB2 . 34263 1 439 . 1 1 37 37 ARG HB3 H 1 1.929 0.003 . 1 . . 782 . A 37 ARG HB3 . 34263 1 440 . 1 1 37 37 ARG HG2 H 1 1.886 0.003 . 2 . . 1228 . A 37 ARG HG2 . 34263 1 441 . 1 1 37 37 ARG HG3 H 1 1.885 0.003 . 2 . . 1229 . A 37 ARG HG3 . 34263 1 442 . 1 1 37 37 ARG HD2 H 1 3.302 0.003 . 2 . . 1009 . A 37 ARG HD2 . 34263 1 443 . 1 1 37 37 ARG HD3 H 1 3.105 0.008 . 2 . . 1010 . A 37 ARG HD3 . 34263 1 444 . 1 1 37 37 ARG C C 13 181.364 0.005 . 1 . . 298 . A 37 ARG C . 34263 1 445 . 1 1 37 37 ARG CA C 13 59.222 0.019 . 1 . . 537 . A 37 ARG CA . 34263 1 446 . 1 1 37 37 ARG CB C 13 30.230 0.014 . 1 . . 538 . A 37 ARG CB . 34263 1 447 . 1 1 37 37 ARG CG C 13 29.367 0.0 . 1 . . 1226 . A 37 ARG CG . 34263 1 448 . 1 1 37 37 ARG CD C 13 43.618 0.042 . 1 . . 1225 . A 37 ARG CD . 34263 1 449 . 1 1 37 37 ARG N N 15 120.752 0.025 . 1 . . 198 . A 37 ARG N . 34263 1 450 . 1 1 38 38 SER H H 1 8.133 0.002 . 1 . . 60 . A 38 SER H . 34263 1 451 . 1 1 38 38 SER HA H 1 4.464 0.006 . 1 . . 783 . A 38 SER HA . 34263 1 452 . 1 1 38 38 SER HB2 H 1 4.181 0.007 . 2 . . 784 . A 38 SER HB2 . 34263 1 453 . 1 1 38 38 SER HB3 H 1 4.247 0.023 . 2 . . 785 . A 38 SER HB3 . 34263 1 454 . 1 1 38 38 SER C C 13 174.998 0.006 . 1 . . 307 . A 38 SER C . 34263 1 455 . 1 1 38 38 SER CA C 13 61.670 0.03 . 1 . . 607 . A 38 SER CA . 34263 1 456 . 1 1 38 38 SER CB C 13 62.810 0.079 . 1 . . 606 . A 38 SER CB . 34263 1 457 . 1 1 38 38 SER N N 15 120.400 0.024 . 1 . . 61 . A 38 SER N . 34263 1 458 . 1 1 39 39 LEU H H 1 7.356 0.003 . 1 . . 77 . A 39 LEU H . 34263 1 459 . 1 1 39 39 LEU HA H 1 4.639 0.004 . 1 . . 786 . A 39 LEU HA . 34263 1 460 . 1 1 39 39 LEU HB2 H 1 1.910 0.006 . 2 . . 787 . A 39 LEU HB2 . 34263 1 461 . 1 1 39 39 LEU HB3 H 1 1.905 0.007 . 2 . . 788 . A 39 LEU HB3 . 34263 1 462 . 1 1 39 39 LEU HG H 1 1.863 0.004 . 1 . . 1216 . A 39 LEU HG . 34263 1 463 . 1 1 39 39 LEU HD11 H 1 1.026 0.005 . 2 . . 1131 . A 39 LEU HD11 . 34263 1 464 . 1 1 39 39 LEU HD12 H 1 1.026 0.005 . 2 . . 1131 . A 39 LEU HD12 . 34263 1 465 . 1 1 39 39 LEU HD13 H 1 1.026 0.005 . 2 . . 1131 . A 39 LEU HD13 . 34263 1 466 . 1 1 39 39 LEU HD21 H 1 1.165 0.005 . 2 . . 1133 . A 39 LEU HD21 . 34263 1 467 . 1 1 39 39 LEU HD22 H 1 1.165 0.005 . 2 . . 1133 . A 39 LEU HD22 . 34263 1 468 . 1 1 39 39 LEU HD23 H 1 1.165 0.005 . 2 . . 1133 . A 39 LEU HD23 . 34263 1 469 . 1 1 39 39 LEU C C 13 177.262 0.002 . 1 . . 273 . A 39 LEU C . 34263 1 470 . 1 1 39 39 LEU CA C 13 54.446 0.021 . 1 . . 941 . A 39 LEU CA . 34263 1 471 . 1 1 39 39 LEU CB C 13 42.850 0.051 . 1 . . 536 . A 39 LEU CB . 34263 1 472 . 1 1 39 39 LEU CG C 13 26.538 0.044 . 1 . . 1217 . A 39 LEU CG . 34263 1 473 . 1 1 39 39 LEU CD1 C 13 26.450 0.055 . 2 . . 1132 . A 39 LEU CD1 . 34263 1 474 . 1 1 39 39 LEU CD2 C 13 23.360 0.073 . 2 . . 1134 . A 39 LEU CD2 . 34263 1 475 . 1 1 39 39 LEU N N 15 122.600 0.019 . 1 . . 78 . A 39 LEU N . 34263 1 476 . 1 1 40 40 GLY H H 1 7.934 0.001 . 1 . . 40 . A 40 GLY H . 34263 1 477 . 1 1 40 40 GLY HA2 H 1 4.302 0.002 . 2 . . 789 . A 40 GLY HA2 . 34263 1 478 . 1 1 40 40 GLY HA3 H 1 3.860 0.015 . 2 . . 790 . A 40 GLY HA3 . 34263 1 479 . 1 1 40 40 GLY C C 13 174.438 0.004 . 1 . . 317 . A 40 GLY C . 34263 1 480 . 1 1 40 40 GLY CA C 13 45.778 0.044 . 1 . . 931 . A 40 GLY CA . 34263 1 481 . 1 1 40 40 GLY N N 15 108.526 0.029 . 1 . . 41 . A 40 GLY N . 34263 1 482 . 1 1 41 41 GLN H H 1 7.796 0.002 . 1 . . 30 . A 41 GLN H . 34263 1 483 . 1 1 41 41 GLN HA H 1 4.462 0.003 . 1 . . 791 . A 41 GLN HA . 34263 1 484 . 1 1 41 41 GLN HB2 H 1 2.106 0.008 . 2 . . 792 . A 41 GLN HB2 . 34263 1 485 . 1 1 41 41 GLN HB3 H 1 1.591 0.006 . 2 . . 793 . A 41 GLN HB3 . 34263 1 486 . 1 1 41 41 GLN HG2 H 1 2.228 0.004 . 2 . . 1019 . A 41 GLN HG2 . 34263 1 487 . 1 1 41 41 GLN HG3 H 1 2.228 0.003 . 2 . . 1020 . A 41 GLN HG3 . 34263 1 488 . 1 1 41 41 GLN C C 13 174.101 0.001 . 1 . . 306 . A 41 GLN C . 34263 1 489 . 1 1 41 41 GLN CA C 13 54.039 0.043 . 1 . . 532 . A 41 GLN CA . 34263 1 490 . 1 1 41 41 GLN CB C 13 30.070 0.03 . 1 . . 533 . A 41 GLN CB . 34263 1 491 . 1 1 41 41 GLN CG C 13 33.180 0.047 . 1 . . 979 . A 41 GLN CG . 34263 1 492 . 1 1 41 41 GLN N N 15 119.203 0.02 . 1 . . 31 . A 41 GLN N . 34263 1 493 . 1 1 42 42 ASN H H 1 8.707 0.002 . 1 . . 63 . A 42 ASN H . 34263 1 494 . 1 1 42 42 ASN HA H 1 5.205 0.002 . 1 . . 1156 . A 42 ASN HA . 34263 1 495 . 1 1 42 42 ASN HB2 H 1 2.780 0.006 . 2 . . 1203 . A 42 ASN HB2 . 34263 1 496 . 1 1 42 42 ASN HB3 H 1 2.542 0.002 . 2 . . 1204 . A 42 ASN HB3 . 34263 1 497 . 1 1 42 42 ASN C C 13 172.128 0.0 . 1 . . 948 . A 42 ASN C . 34263 1 498 . 1 1 42 42 ASN CA C 13 51.072 0.033 . 1 . . 535 . A 42 ASN CA . 34263 1 499 . 1 1 42 42 ASN CB C 13 39.337 0.011 . 1 . . 534 . A 42 ASN CB . 34263 1 500 . 1 1 42 42 ASN N N 15 118.012 0.029 . 1 . . 64 . A 42 ASN N . 34263 1 501 . 1 1 43 43 PRO HA H 1 4.752 0.005 . 1 . . 794 . A 43 PRO HA . 34263 1 502 . 1 1 43 43 PRO HB2 H 1 2.104 0.006 . 2 . . 795 . A 43 PRO HB2 . 34263 1 503 . 1 1 43 43 PRO HB3 H 1 1.988 0.006 . 2 . . 796 . A 43 PRO HB3 . 34263 1 504 . 1 1 43 43 PRO HG2 H 1 1.988 0.001 . 1 . . 1194 . A 43 PRO HG2 . 34263 1 505 . 1 1 43 43 PRO HG3 H 1 1.988 0.001 . 1 . . 1196 . A 43 PRO HG3 . 34263 1 506 . 1 1 43 43 PRO HD2 H 1 3.690 0.001 . 2 . . 1191 . A 43 PRO HD2 . 34263 1 507 . 1 1 43 43 PRO HD3 H 1 3.307 0.002 . 2 . . 1193 . A 43 PRO HD3 . 34263 1 508 . 1 1 43 43 PRO C C 13 177.624 0.005 . 1 . . 315 . A 43 PRO C . 34263 1 509 . 1 1 43 43 PRO CA C 13 62.285 0.023 . 1 . . 531 . A 43 PRO CA . 34263 1 510 . 1 1 43 43 PRO CB C 13 31.913 0.034 . 1 . . 530 . A 43 PRO CB . 34263 1 511 . 1 1 43 43 PRO CG C 13 27.278 0.031 . 1 . . 1195 . A 43 PRO CG . 34263 1 512 . 1 1 43 43 PRO CD C 13 50.018 0.018 . 1 . . 1192 . A 43 PRO CD . 34263 1 513 . 1 1 44 44 THR H H 1 8.824 0.003 . 1 . . 50 . A 44 THR H . 34263 1 514 . 1 1 44 44 THR HA H 1 4.437 0.006 . 1 . . 798 . A 44 THR HA . 34263 1 515 . 1 1 44 44 THR HB H 1 4.751 0.008 . 1 . . 797 . A 44 THR HB . 34263 1 516 . 1 1 44 44 THR HG21 H 1 1.376 0.014 . 1 . . 1105 . A 44 THR HG21 . 34263 1 517 . 1 1 44 44 THR HG22 H 1 1.376 0.014 . 1 . . 1105 . A 44 THR HG22 . 34263 1 518 . 1 1 44 44 THR HG23 H 1 1.376 0.014 . 1 . . 1105 . A 44 THR HG23 . 34263 1 519 . 1 1 44 44 THR C C 13 175.091 0.004 . 1 . . 311 . A 44 THR C . 34263 1 520 . 1 1 44 44 THR CA C 13 60.698 0.037 . 1 . . 529 . A 44 THR CA . 34263 1 521 . 1 1 44 44 THR CB C 13 70.892 0.027 . 1 . . 528 . A 44 THR CB . 34263 1 522 . 1 1 44 44 THR CG2 C 13 21.885 0.033 . 1 . . 1119 . A 44 THR CG2 . 34263 1 523 . 1 1 44 44 THR N N 15 114.676 0.034 . 1 . . 51 . A 44 THR N . 34263 1 524 . 1 1 45 45 GLU H H 1 8.881 0.002 . 1 . . 130 . A 45 GLU H . 34263 1 525 . 1 1 45 45 GLU HA H 1 4.017 0.007 . 1 . . 799 . A 45 GLU HA . 34263 1 526 . 1 1 45 45 GLU HB2 H 1 2.064 0.007 . 2 . . 800 . A 45 GLU HB2 . 34263 1 527 . 1 1 45 45 GLU HB3 H 1 2.064 0.007 . 2 . . 801 . A 45 GLU HB3 . 34263 1 528 . 1 1 45 45 GLU HG2 H 1 2.384 0.019 . 2 . . 1035 . A 45 GLU HG2 . 34263 1 529 . 1 1 45 45 GLU HG3 H 1 2.353 0.003 . 2 . . 1036 . A 45 GLU HG3 . 34263 1 530 . 1 1 45 45 GLU C C 13 179.212 0.005 . 1 . . 288 . A 45 GLU C . 34263 1 531 . 1 1 45 45 GLU CA C 13 59.997 0.035 . 1 . . 527 . A 45 GLU CA . 34263 1 532 . 1 1 45 45 GLU CB C 13 29.123 0.007 . 1 . . 526 . A 45 GLU CB . 34263 1 533 . 1 1 45 45 GLU CG C 13 36.441 . . 1 . . 986 . A 45 GLU CG . 34263 1 534 . 1 1 45 45 GLU N N 15 121.792 0.031 . 1 . . 131 . A 45 GLU N . 34263 1 535 . 1 1 46 46 ALA H H 1 8.353 0.002 . 1 . . 32 . A 46 ALA H . 34263 1 536 . 1 1 46 46 ALA HA H 1 4.115 0.007 . 1 . . 803 . A 46 ALA HA . 34263 1 537 . 1 1 46 46 ALA HB1 H 1 1.411 0.004 . 1 . . 802 . A 46 ALA HB1 . 34263 1 538 . 1 1 46 46 ALA HB2 H 1 1.411 0.004 . 1 . . 802 . A 46 ALA HB2 . 34263 1 539 . 1 1 46 46 ALA HB3 H 1 1.411 0.004 . 1 . . 802 . A 46 ALA HB3 . 34263 1 540 . 1 1 46 46 ALA C C 13 180.151 0.001 . 1 . . 294 . A 46 ALA C . 34263 1 541 . 1 1 46 46 ALA CA C 13 54.974 0.066 . 1 . . 525 . A 46 ALA CA . 34263 1 542 . 1 1 46 46 ALA CB C 13 18.314 0.065 . 1 . . 683 . A 46 ALA CB . 34263 1 543 . 1 1 46 46 ALA N N 15 122.440 0.024 . 1 . . 33 . A 46 ALA N . 34263 1 544 . 1 1 47 47 GLU H H 1 7.773 0.002 . 1 . . 16 . A 47 GLU H . 34263 1 545 . 1 1 47 47 GLU HA H 1 4.054 0.007 . 1 . . 804 . A 47 GLU HA . 34263 1 546 . 1 1 47 47 GLU HB2 H 1 2.302 0.006 . 2 . . 805 . A 47 GLU HB2 . 34263 1 547 . 1 1 47 47 GLU HB3 H 1 1.908 0.006 . 2 . . 806 . A 47 GLU HB3 . 34263 1 548 . 1 1 47 47 GLU HG2 H 1 2.366 0.0 . 2 . . 1037 . A 47 GLU HG2 . 34263 1 549 . 1 1 47 47 GLU HG3 H 1 2.390 . . 2 . . 1038 . A 47 GLU HG3 . 34263 1 550 . 1 1 47 47 GLU C C 13 179.944 0.005 . 1 . . 277 . A 47 GLU C . 34263 1 551 . 1 1 47 47 GLU CA C 13 58.891 0.024 . 1 . . 524 . A 47 GLU CA . 34263 1 552 . 1 1 47 47 GLU CB C 13 30.054 0.049 . 1 . . 523 . A 47 GLU CB . 34263 1 553 . 1 1 47 47 GLU CG C 13 37.100 . . 1 . . 987 . A 47 GLU CG . 34263 1 554 . 1 1 47 47 GLU N N 15 120.330 0.029 . 1 . . 17 . A 47 GLU N . 34263 1 555 . 1 1 48 48 LEU H H 1 8.362 0.004 . 1 . . 91 . A 48 LEU H . 34263 1 556 . 1 1 48 48 LEU HA H 1 4.063 0.01 . 1 . . 807 . A 48 LEU HA . 34263 1 557 . 1 1 48 48 LEU HB2 H 1 1.803 0.005 . 2 . . 808 . A 48 LEU HB2 . 34263 1 558 . 1 1 48 48 LEU HB3 H 1 1.580 0.009 . 2 . . 809 . A 48 LEU HB3 . 34263 1 559 . 1 1 48 48 LEU HG H 1 1.645 0.015 . 1 . . 1139 . A 48 LEU HG . 34263 1 560 . 1 1 48 48 LEU HD11 H 1 0.845 0.005 . 2 . . 1137 . A 48 LEU HD11 . 34263 1 561 . 1 1 48 48 LEU HD12 H 1 0.845 0.005 . 2 . . 1137 . A 48 LEU HD12 . 34263 1 562 . 1 1 48 48 LEU HD13 H 1 0.845 0.005 . 2 . . 1137 . A 48 LEU HD13 . 34263 1 563 . 1 1 48 48 LEU HD21 H 1 0.838 0.001 . 2 . . 1138 . A 48 LEU HD21 . 34263 1 564 . 1 1 48 48 LEU HD22 H 1 0.838 0.001 . 2 . . 1138 . A 48 LEU HD22 . 34263 1 565 . 1 1 48 48 LEU HD23 H 1 0.838 0.001 . 2 . . 1138 . A 48 LEU HD23 . 34263 1 566 . 1 1 48 48 LEU C C 13 178.363 0.003 . 1 . . 267 . A 48 LEU C . 34263 1 567 . 1 1 48 48 LEU CA C 13 58.023 0.059 . 1 . . 522 . A 48 LEU CA . 34263 1 568 . 1 1 48 48 LEU CB C 13 41.826 0.06 . 1 . . 521 . A 48 LEU CB . 34263 1 569 . 1 1 48 48 LEU CG C 13 27.149 0.089 . 1 . . 1140 . A 48 LEU CG . 34263 1 570 . 1 1 48 48 LEU CD1 C 13 24.216 0.019 . 2 . . 1135 . A 48 LEU CD1 . 34263 1 571 . 1 1 48 48 LEU CD2 C 13 25.170 0.036 . 2 . . 1136 . A 48 LEU CD2 . 34263 1 572 . 1 1 48 48 LEU N N 15 121.438 0.044 . 1 . . 92 . A 48 LEU N . 34263 1 573 . 1 1 49 49 GLN H H 1 8.080 0.002 . 1 . . 231 . A 49 GLN H . 34263 1 574 . 1 1 49 49 GLN HA H 1 3.909 0.004 . 1 . . 810 . A 49 GLN HA . 34263 1 575 . 1 1 49 49 GLN HB2 H 1 2.157 0.003 . 2 . . 811 . A 49 GLN HB2 . 34263 1 576 . 1 1 49 49 GLN HB3 H 1 2.176 0.013 . 2 . . 1023 . A 49 GLN HB3 . 34263 1 577 . 1 1 49 49 GLN HG2 H 1 2.443 0.005 . 2 . . 1021 . A 49 GLN HG2 . 34263 1 578 . 1 1 49 49 GLN HG3 H 1 2.443 0.005 . 2 . . 1022 . A 49 GLN HG3 . 34263 1 579 . 1 1 49 49 GLN C C 13 178.218 0.004 . 1 . . 265 . A 49 GLN C . 34263 1 580 . 1 1 49 49 GLN CA C 13 58.649 0.048 . 1 . . 519 . A 49 GLN CA . 34263 1 581 . 1 1 49 49 GLN CB C 13 28.164 0.036 . 1 . . 520 . A 49 GLN CB . 34263 1 582 . 1 1 49 49 GLN CG C 13 33.939 0.019 . 1 . . 980 . A 49 GLN CG . 34263 1 583 . 1 1 49 49 GLN N N 15 118.975 0.029 . 1 . . 232 . A 49 GLN N . 34263 1 584 . 1 1 50 50 ASP H H 1 7.874 0.003 . 1 . . 38 . A 50 ASP H . 34263 1 585 . 1 1 50 50 ASP HA H 1 4.457 0.005 . 1 . . 812 . A 50 ASP HA . 34263 1 586 . 1 1 50 50 ASP HB2 H 1 2.803 0.005 . 2 . . 813 . A 50 ASP HB2 . 34263 1 587 . 1 1 50 50 ASP HB3 H 1 2.700 0.003 . 2 . . 814 . A 50 ASP HB3 . 34263 1 588 . 1 1 50 50 ASP C C 13 179.039 0.004 . 1 . . 257 . A 50 ASP C . 34263 1 589 . 1 1 50 50 ASP CA C 13 57.428 0.054 . 1 . . 517 . A 50 ASP CA . 34263 1 590 . 1 1 50 50 ASP CB C 13 40.377 0.022 . 1 . . 518 . A 50 ASP CB . 34263 1 591 . 1 1 50 50 ASP N N 15 120.321 0.03 . 1 . . 39 . A 50 ASP N . 34263 1 592 . 1 1 51 51 MET H H 1 7.984 0.002 . 1 . . 1 . A 51 MET H . 34263 1 593 . 1 1 51 51 MET HA H 1 4.069 0.004 . 1 . . 815 . A 51 MET HA . 34263 1 594 . 1 1 51 51 MET HB2 H 1 2.298 0.019 . 2 . . 816 . A 51 MET HB2 . 34263 1 595 . 1 1 51 51 MET HB3 H 1 2.046 0.02 . 2 . . 817 . A 51 MET HB3 . 34263 1 596 . 1 1 51 51 MET HG2 H 1 2.841 0.007 . 2 . . 1090 . A 51 MET HG2 . 34263 1 597 . 1 1 51 51 MET HG3 H 1 2.586 0.007 . 2 . . 1091 . A 51 MET HG3 . 34263 1 598 . 1 1 51 51 MET HE1 H 1 1.992 0.001 . 1 . . 1152 . A 51 MET HE1 . 34263 1 599 . 1 1 51 51 MET HE2 H 1 1.992 0.001 . 1 . . 1152 . A 51 MET HE2 . 34263 1 600 . 1 1 51 51 MET HE3 H 1 1.992 0.001 . 1 . . 1152 . A 51 MET HE3 . 34263 1 601 . 1 1 51 51 MET C C 13 178.434 0.01 . 1 . . 293 . A 51 MET C . 34263 1 602 . 1 1 51 51 MET CA C 13 59.711 0.046 . 1 . . 516 . A 51 MET CA . 34263 1 603 . 1 1 51 51 MET CB C 13 34.076 0.033 . 1 . . 515 . A 51 MET CB . 34263 1 604 . 1 1 51 51 MET CG C 13 32.914 0.04 . 1 . . 974 . A 51 MET CG . 34263 1 605 . 1 1 51 51 MET CE C 13 17.438 0.043 . 1 . . 1153 . A 51 MET CE . 34263 1 606 . 1 1 51 51 MET N N 15 120.546 0.026 . 1 . . 2 . A 51 MET N . 34263 1 607 . 1 1 52 52 ILE H H 1 8.361 0.003 . 1 . . 164 . A 52 ILE H . 34263 1 608 . 1 1 52 52 ILE HA H 1 3.509 0.005 . 1 . . 818 . A 52 ILE HA . 34263 1 609 . 1 1 52 52 ILE HB H 1 1.877 0.022 . 1 . . 819 . A 52 ILE HB . 34263 1 610 . 1 1 52 52 ILE HG12 H 1 0.832 0.001 . 2 . . 1207 . A 52 ILE HG12 . 34263 1 611 . 1 1 52 52 ILE HG13 H 1 1.796 0.003 . 2 . . 1208 . A 52 ILE HG13 . 34263 1 612 . 1 1 52 52 ILE HG21 H 1 0.939 0.007 . 1 . . 1051 . A 52 ILE HG21 . 34263 1 613 . 1 1 52 52 ILE HG22 H 1 0.939 0.007 . 1 . . 1051 . A 52 ILE HG22 . 34263 1 614 . 1 1 52 52 ILE HG23 H 1 0.939 0.007 . 1 . . 1051 . A 52 ILE HG23 . 34263 1 615 . 1 1 52 52 ILE HD11 H 1 0.838 0.004 . 1 . . 1050 . A 52 ILE HD11 . 34263 1 616 . 1 1 52 52 ILE HD12 H 1 0.838 0.004 . 1 . . 1050 . A 52 ILE HD12 . 34263 1 617 . 1 1 52 52 ILE HD13 H 1 0.838 0.004 . 1 . . 1050 . A 52 ILE HD13 . 34263 1 618 . 1 1 52 52 ILE C C 13 177.570 0.005 . 1 . . 241 . A 52 ILE C . 34263 1 619 . 1 1 52 52 ILE CA C 13 65.422 0.018 . 1 . . 513 . A 52 ILE CA . 34263 1 620 . 1 1 52 52 ILE CB C 13 38.104 0.068 . 1 . . 514 . A 52 ILE CB . 34263 1 621 . 1 1 52 52 ILE CG1 C 13 30.521 0.037 . 1 . . 1206 . A 52 ILE CG1 . 34263 1 622 . 1 1 52 52 ILE CG2 C 13 17.586 0.037 . 1 . . 997 . A 52 ILE CG2 . 34263 1 623 . 1 1 52 52 ILE CD1 C 13 13.720 0.065 . 1 . . 996 . A 52 ILE CD1 . 34263 1 624 . 1 1 52 52 ILE N N 15 120.495 0.026 . 1 . . 165 . A 52 ILE N . 34263 1 625 . 1 1 53 53 ASN H H 1 8.306 0.003 . 1 . . 213 . A 53 ASN H . 34263 1 626 . 1 1 53 53 ASN HA H 1 4.416 0.004 . 1 . . 820 . A 53 ASN HA . 34263 1 627 . 1 1 53 53 ASN HB2 H 1 2.961 0.011 . 2 . . 821 . A 53 ASN HB2 . 34263 1 628 . 1 1 53 53 ASN HB3 H 1 2.861 0.003 . 2 . . 822 . A 53 ASN HB3 . 34263 1 629 . 1 1 53 53 ASN C C 13 176.901 0.004 . 1 . . 269 . A 53 ASN C . 34263 1 630 . 1 1 53 53 ASN CA C 13 55.345 0.019 . 1 . . 511 . A 53 ASN CA . 34263 1 631 . 1 1 53 53 ASN CB C 13 38.219 0.062 . 1 . . 512 . A 53 ASN CB . 34263 1 632 . 1 1 53 53 ASN N N 15 118.816 0.031 . 1 . . 214 . A 53 ASN N . 34263 1 633 . 1 1 54 54 GLU H H 1 7.609 0.003 . 1 . . 195 . A 54 GLU H . 34263 1 634 . 1 1 54 54 GLU HA H 1 4.171 0.007 . 1 . . 823 . A 54 GLU HA . 34263 1 635 . 1 1 54 54 GLU HB2 H 1 2.157 0.005 . 2 . . 824 . A 54 GLU HB2 . 34263 1 636 . 1 1 54 54 GLU HB3 H 1 2.157 0.005 . 2 . . 825 . A 54 GLU HB3 . 34263 1 637 . 1 1 54 54 GLU HG2 H 1 2.214 0.003 . 2 . . 1039 . A 54 GLU HG2 . 34263 1 638 . 1 1 54 54 GLU HG3 H 1 2.420 0.008 . 2 . . 1040 . A 54 GLU HG3 . 34263 1 639 . 1 1 54 54 GLU C C 13 177.893 0.005 . 1 . . 326 . A 54 GLU C . 34263 1 640 . 1 1 54 54 GLU CA C 13 58.437 0.022 . 1 . . 510 . A 54 GLU CA . 34263 1 641 . 1 1 54 54 GLU CB C 13 30.193 0.031 . 1 . . 509 . A 54 GLU CB . 34263 1 642 . 1 1 54 54 GLU CG C 13 36.046 0.064 . 1 . . 988 . A 54 GLU CG . 34263 1 643 . 1 1 54 54 GLU N N 15 118.744 0.032 . 1 . . 196 . A 54 GLU N . 34263 1 644 . 1 1 55 55 VAL H H 1 7.662 0.002 . 1 . . 147 . A 55 VAL H . 34263 1 645 . 1 1 55 55 VAL HA H 1 4.372 0.008 . 1 . . 826 . A 55 VAL HA . 34263 1 646 . 1 1 55 55 VAL HB H 1 2.281 0.006 . 1 . . 827 . A 55 VAL HB . 34263 1 647 . 1 1 55 55 VAL HG11 H 1 1.009 0.002 . 2 . . 1112 . A 55 VAL HG11 . 34263 1 648 . 1 1 55 55 VAL HG12 H 1 1.009 0.002 . 2 . . 1112 . A 55 VAL HG12 . 34263 1 649 . 1 1 55 55 VAL HG13 H 1 1.009 0.002 . 2 . . 1112 . A 55 VAL HG13 . 34263 1 650 . 1 1 55 55 VAL HG21 H 1 0.993 0.009 . 2 . . 1113 . A 55 VAL HG21 . 34263 1 651 . 1 1 55 55 VAL HG22 H 1 0.993 0.009 . 2 . . 1113 . A 55 VAL HG22 . 34263 1 652 . 1 1 55 55 VAL HG23 H 1 0.993 0.009 . 2 . . 1113 . A 55 VAL HG23 . 34263 1 653 . 1 1 55 55 VAL C C 13 175.847 0.006 . 1 . . 260 . A 55 VAL C . 34263 1 654 . 1 1 55 55 VAL CA C 13 62.346 0.039 . 1 . . 507 . A 55 VAL CA . 34263 1 655 . 1 1 55 55 VAL CB C 13 32.873 0.052 . 1 . . 508 . A 55 VAL CB . 34263 1 656 . 1 1 55 55 VAL CG1 C 13 20.452 0.019 . 2 . . 1008 . A 55 VAL CG1 . 34263 1 657 . 1 1 55 55 VAL CG2 C 13 21.690 0.009 . 2 . . 1007 . A 55 VAL CG2 . 34263 1 658 . 1 1 55 55 VAL N N 15 114.396 0.03 . 1 . . 148 . A 55 VAL N . 34263 1 659 . 1 1 56 56 ASP H H 1 8.488 0.003 . 1 . . 112 . A 56 ASP H . 34263 1 660 . 1 1 56 56 ASP HA H 1 5.039 0.004 . 1 . . 828 . A 56 ASP HA . 34263 1 661 . 1 1 56 56 ASP HB2 H 1 2.847 0.008 . 2 . . 829 . A 56 ASP HB2 . 34263 1 662 . 1 1 56 56 ASP HB3 H 1 2.432 0.007 . 2 . . 830 . A 56 ASP HB3 . 34263 1 663 . 1 1 56 56 ASP C C 13 176.968 0.002 . 1 . . 271 . A 56 ASP C . 34263 1 664 . 1 1 56 56 ASP CA C 13 53.520 0.049 . 1 . . 505 . A 56 ASP CA . 34263 1 665 . 1 1 56 56 ASP CB C 13 40.776 0.023 . 1 . . 506 . A 56 ASP CB . 34263 1 666 . 1 1 56 56 ASP N N 15 123.355 0.023 . 1 . . 113 . A 56 ASP N . 34263 1 667 . 1 1 57 57 ALA H H 1 8.179 0.004 . 1 . . 65 . A 57 ALA H . 34263 1 668 . 1 1 57 57 ALA HA H 1 4.185 0.007 . 1 . . 831 . A 57 ALA HA . 34263 1 669 . 1 1 57 57 ALA HB1 H 1 1.461 0.004 . 1 . . 832 . A 57 ALA HB1 . 34263 1 670 . 1 1 57 57 ALA HB2 H 1 1.461 0.004 . 1 . . 832 . A 57 ALA HB2 . 34263 1 671 . 1 1 57 57 ALA HB3 H 1 1.461 0.004 . 1 . . 832 . A 57 ALA HB3 . 34263 1 672 . 1 1 57 57 ALA C C 13 179.091 0.003 . 1 . . 303 . A 57 ALA C . 34263 1 673 . 1 1 57 57 ALA CA C 13 54.797 0.024 . 1 . . 504 . A 57 ALA CA . 34263 1 674 . 1 1 57 57 ALA CB C 13 18.953 0.018 . 1 . . 503 . A 57 ALA CB . 34263 1 675 . 1 1 57 57 ALA N N 15 126.433 0.034 . 1 . . 66 . A 57 ALA N . 34263 1 676 . 1 1 58 58 ASP H H 1 8.453 0.003 . 1 . . 128 . A 58 ASP H . 34263 1 677 . 1 1 58 58 ASP HA H 1 4.675 0.009 . 1 . . 833 . A 58 ASP HA . 34263 1 678 . 1 1 58 58 ASP HB2 H 1 2.793 . . 2 . . 834 . A 58 ASP HB2 . 34263 1 679 . 1 1 58 58 ASP HB3 H 1 2.690 0.004 . 2 . . 835 . A 58 ASP HB3 . 34263 1 680 . 1 1 58 58 ASP C C 13 177.069 0.003 . 1 . . 287 . A 58 ASP C . 34263 1 681 . 1 1 58 58 ASP CA C 13 54.487 0.038 . 1 . . 609 . A 58 ASP CA . 34263 1 682 . 1 1 58 58 ASP CB C 13 41.139 0.013 . 1 . . 608 . A 58 ASP CB . 34263 1 683 . 1 1 58 58 ASP N N 15 116.201 0.028 . 1 . . 129 . A 58 ASP N . 34263 1 684 . 1 1 59 59 GLY H H 1 7.926 0.003 . 1 . . 14 . A 59 GLY H . 34263 1 685 . 1 1 59 59 GLY HA2 H 1 3.934 0.016 . 2 . . 836 . A 59 GLY HA2 . 34263 1 686 . 1 1 59 59 GLY HA3 H 1 3.892 0.006 . 2 . . 837 . A 59 GLY HA3 . 34263 1 687 . 1 1 59 59 GLY C C 13 175.514 0.008 . 1 . . 258 . A 59 GLY C . 34263 1 688 . 1 1 59 59 GLY CA C 13 46.764 0.059 . 1 . . 502 . A 59 GLY CA . 34263 1 689 . 1 1 59 59 GLY N N 15 110.386 0.025 . 1 . . 15 . A 59 GLY N . 34263 1 690 . 1 1 60 60 ASN H H 1 9.271 0.006 . 1 . . 181 . A 60 ASN H . 34263 1 691 . 1 1 60 60 ASN HA H 1 4.741 0.012 . 1 . . 838 . A 60 ASN HA . 34263 1 692 . 1 1 60 60 ASN HB2 H 1 2.910 0.005 . 2 . . 839 . A 60 ASN HB2 . 34263 1 693 . 1 1 60 60 ASN HB3 H 1 2.907 0.004 . 2 . . 840 . A 60 ASN HB3 . 34263 1 694 . 1 1 60 60 ASN C C 13 177.099 0.005 . 1 . . 310 . A 60 ASN C . 34263 1 695 . 1 1 60 60 ASN CA C 13 54.323 0.035 . 1 . . 500 . A 60 ASN CA . 34263 1 696 . 1 1 60 60 ASN CB C 13 39.317 0.012 . 1 . . 501 . A 60 ASN CB . 34263 1 697 . 1 1 60 60 ASN N N 15 121.183 0.034 . 1 . . 182 . A 60 ASN N . 34263 1 698 . 1 1 61 61 GLY H H 1 10.008 0.006 . 1 . . 20 . A 61 GLY H . 34263 1 699 . 1 1 61 61 GLY HA2 H 1 4.156 0.012 . 2 . . 841 . A 61 GLY HA2 . 34263 1 700 . 1 1 61 61 GLY HA3 H 1 3.937 0.007 . 2 . . 842 . A 61 GLY HA3 . 34263 1 701 . 1 1 61 61 GLY C C 13 174.654 0.005 . 1 . . 301 . A 61 GLY C . 34263 1 702 . 1 1 61 61 GLY CA C 13 45.906 0.047 . 1 . . 632 . A 61 GLY CA . 34263 1 703 . 1 1 61 61 GLY N N 15 111.543 0.026 . 1 . . 21 . A 61 GLY N . 34263 1 704 . 1 1 62 62 THR H H 1 7.611 0.002 . 1 . . 18 . A 62 THR H . 34263 1 705 . 1 1 62 62 THR HA H 1 5.230 0.003 . 1 . . 844 . A 62 THR HA . 34263 1 706 . 1 1 62 62 THR HB H 1 4.124 0.008 . 1 . . 843 . A 62 THR HB . 34263 1 707 . 1 1 62 62 THR HG21 H 1 1.092 0.004 . 1 . . 1106 . A 62 THR HG21 . 34263 1 708 . 1 1 62 62 THR HG22 H 1 1.092 0.004 . 1 . . 1106 . A 62 THR HG22 . 34263 1 709 . 1 1 62 62 THR HG23 H 1 1.092 0.004 . 1 . . 1106 . A 62 THR HG23 . 34263 1 710 . 1 1 62 62 THR C C 13 172.872 0.007 . 1 . . 245 . A 62 THR C . 34263 1 711 . 1 1 62 62 THR CA C 13 59.712 0.016 . 1 . . 630 . A 62 THR CA . 34263 1 712 . 1 1 62 62 THR CB C 13 72.648 0.057 . 1 . . 631 . A 62 THR CB . 34263 1 713 . 1 1 62 62 THR CG2 C 13 21.740 0.046 . 1 . . 1120 . A 62 THR CG2 . 34263 1 714 . 1 1 62 62 THR N N 15 112.226 0.033 . 1 . . 19 . A 62 THR N . 34263 1 715 . 1 1 63 63 ILE H H 1 8.939 0.003 . 1 . . 3 . A 63 ILE H . 34263 1 716 . 1 1 63 63 ILE HA H 1 4.632 0.005 . 1 . . 845 . A 63 ILE HA . 34263 1 717 . 1 1 63 63 ILE HB H 1 1.805 0.009 . 1 . . 846 . A 63 ILE HB . 34263 1 718 . 1 1 63 63 ILE HG12 H 1 1.100 0.002 . 2 . . 1223 . A 63 ILE HG12 . 34263 1 719 . 1 1 63 63 ILE HG13 H 1 1.572 0.002 . 2 . . 1224 . A 63 ILE HG13 . 34263 1 720 . 1 1 63 63 ILE HG21 H 1 1.105 0.006 . 1 . . 1053 . A 63 ILE HG21 . 34263 1 721 . 1 1 63 63 ILE HG22 H 1 1.105 0.006 . 1 . . 1053 . A 63 ILE HG22 . 34263 1 722 . 1 1 63 63 ILE HG23 H 1 1.105 0.006 . 1 . . 1053 . A 63 ILE HG23 . 34263 1 723 . 1 1 63 63 ILE HD11 H 1 0.890 0.003 . 1 . . 1052 . A 63 ILE HD11 . 34263 1 724 . 1 1 63 63 ILE HD12 H 1 0.890 0.003 . 1 . . 1052 . A 63 ILE HD12 . 34263 1 725 . 1 1 63 63 ILE HD13 H 1 0.890 0.003 . 1 . . 1052 . A 63 ILE HD13 . 34263 1 726 . 1 1 63 63 ILE C C 13 174.465 0.004 . 1 . . 316 . A 63 ILE C . 34263 1 727 . 1 1 63 63 ILE CA C 13 59.912 0.056 . 1 . . 634 . A 63 ILE CA . 34263 1 728 . 1 1 63 63 ILE CB C 13 41.760 0.012 . 1 . . 633 . A 63 ILE CB . 34263 1 729 . 1 1 63 63 ILE CG1 C 13 27.219 0.008 . 1 . . 998 . A 63 ILE CG1 . 34263 1 730 . 1 1 63 63 ILE CG2 C 13 17.657 0.063 . 1 . . 1000 . A 63 ILE CG2 . 34263 1 731 . 1 1 63 63 ILE CD1 C 13 15.548 0.042 . 1 . . 999 . A 63 ILE CD1 . 34263 1 732 . 1 1 63 63 ILE N N 15 120.178 0.027 . 1 . . 4 . A 63 ILE N . 34263 1 733 . 1 1 64 64 ASP H H 1 8.464 0.014 . 1 . . 79 . A 64 ASP H . 34263 1 734 . 1 1 64 64 ASP HA H 1 5.584 0.006 . 1 . . 849 . A 64 ASP HA . 34263 1 735 . 1 1 64 64 ASP HB2 H 1 3.217 0.006 . 2 . . 847 . A 64 ASP HB2 . 34263 1 736 . 1 1 64 64 ASP HB3 H 1 2.778 0.008 . 2 . . 848 . A 64 ASP HB3 . 34263 1 737 . 1 1 64 64 ASP C C 13 176.111 0.001 . 1 . . 270 . A 64 ASP C . 34263 1 738 . 1 1 64 64 ASP CA C 13 51.925 0.014 . 1 . . 628 . A 64 ASP CA . 34263 1 739 . 1 1 64 64 ASP CB C 13 42.152 0.035 . 1 . . 940 . A 64 ASP CB . 34263 1 740 . 1 1 64 64 ASP N N 15 125.690 0.056 . 1 . . 80 . A 64 ASP N . 34263 1 741 . 1 1 65 65 PHE H H 1 8.678 0.002 . 1 . . 89 . A 65 PHE H . 34263 1 742 . 1 1 65 65 PHE HA H 1 3.834 0.005 . 1 . . 1157 . A 65 PHE HA . 34263 1 743 . 1 1 65 65 PHE HB2 H 1 2.962 0.001 . 2 . . 1201 . A 65 PHE HB2 . 34263 1 744 . 1 1 65 65 PHE HB3 H 1 2.434 0.004 . 2 . . 1202 . A 65 PHE HB3 . 34263 1 745 . 1 1 65 65 PHE HD1 H 1 6.481 0.002 . 1 . . 1162 . A 65 PHE HD1 . 34263 1 746 . 1 1 65 65 PHE HD2 H 1 6.481 0.002 . 1 . . 1162 . A 65 PHE HD2 . 34263 1 747 . 1 1 65 65 PHE HE1 H 1 7.148 0.013 . 1 . . 1169 . A 65 PHE HE1 . 34263 1 748 . 1 1 65 65 PHE HE2 H 1 7.148 0.013 . 1 . . 1169 . A 65 PHE HE2 . 34263 1 749 . 1 1 65 65 PHE HZ H 1 7.424 . . 1 . . 1234 . A 65 PHE HZ . 34263 1 750 . 1 1 65 65 PHE C C 13 173.722 0.0 . 1 . . 947 . A 65 PHE C . 34263 1 751 . 1 1 65 65 PHE CA C 13 62.948 0.043 . 1 . . 629 . A 65 PHE CA . 34263 1 752 . 1 1 65 65 PHE CB C 13 36.444 0.022 . 1 . . 939 . A 65 PHE CB . 34263 1 753 . 1 1 65 65 PHE CD1 C 13 132.471 0.027 . 1 . . 374 . A 65 PHE CD1 . 34263 1 754 . 1 1 65 65 PHE CD2 C 13 132.471 0.027 . 1 . . 374 . A 65 PHE CD2 . 34263 1 755 . 1 1 65 65 PHE CE1 C 13 131.178 0.025 . 1 . . 360 . A 65 PHE CE1 . 34263 1 756 . 1 1 65 65 PHE CE2 C 13 131.178 0.025 . 1 . . 360 . A 65 PHE CE2 . 34263 1 757 . 1 1 65 65 PHE CZ C 13 130.048 . . 1 . . 1235 . A 65 PHE CZ . 34263 1 758 . 1 1 65 65 PHE N N 15 119.970 0.024 . 1 . . 90 . A 65 PHE N . 34263 1 759 . 1 1 66 66 PRO HA H 1 3.904 0.005 . 1 . . 850 . A 66 PRO HA . 34263 1 760 . 1 1 66 66 PRO HB2 H 1 2.265 0.005 . 2 . . 851 . A 66 PRO HB2 . 34263 1 761 . 1 1 66 66 PRO HB3 H 1 1.925 0.006 . 2 . . 852 . A 66 PRO HB3 . 34263 1 762 . 1 1 66 66 PRO HG2 H 1 2.224 0.002 . 2 . . 1221 . A 66 PRO HG2 . 34263 1 763 . 1 1 66 66 PRO HG3 H 1 1.926 0.0 . 2 . . 1222 . A 66 PRO HG3 . 34263 1 764 . 1 1 66 66 PRO HD2 H 1 3.832 0.002 . 2 . . 1198 . A 66 PRO HD2 . 34263 1 765 . 1 1 66 66 PRO HD3 H 1 3.874 0.004 . 2 . . 1199 . A 66 PRO HD3 . 34263 1 766 . 1 1 66 66 PRO C C 13 179.955 0.001 . 1 . . 290 . A 66 PRO C . 34263 1 767 . 1 1 66 66 PRO CA C 13 66.528 0.018 . 1 . . 938 . A 66 PRO CA . 34263 1 768 . 1 1 66 66 PRO CB C 13 30.696 0.068 . 1 . . 937 . A 66 PRO CB . 34263 1 769 . 1 1 66 66 PRO CG C 13 28.608 0.036 . 1 . . 1220 . A 66 PRO CG . 34263 1 770 . 1 1 66 66 PRO CD C 13 49.493 0.015 . 1 . . 1197 . A 66 PRO CD . 34263 1 771 . 1 1 67 67 GLU H H 1 8.140 0.003 . 1 . . 5 . A 67 GLU H . 34263 1 772 . 1 1 67 67 GLU HA H 1 4.071 0.008 . 1 . . 853 . A 67 GLU HA . 34263 1 773 . 1 1 67 67 GLU HB2 H 1 2.525 0.009 . 2 . . 854 . A 67 GLU HB2 . 34263 1 774 . 1 1 67 67 GLU HB3 H 1 1.970 0.01 . 2 . . 855 . A 67 GLU HB3 . 34263 1 775 . 1 1 67 67 GLU HG2 H 1 2.454 0.006 . 2 . . 1041 . A 67 GLU HG2 . 34263 1 776 . 1 1 67 67 GLU HG3 H 1 2.682 0.007 . 2 . . 1042 . A 67 GLU HG3 . 34263 1 777 . 1 1 67 67 GLU C C 13 179.029 0.004 . 1 . . 259 . A 67 GLU C . 34263 1 778 . 1 1 67 67 GLU CA C 13 59.155 0.05 . 1 . . 626 . A 67 GLU CA . 34263 1 779 . 1 1 67 67 GLU CB C 13 29.324 0.059 . 1 . . 627 . A 67 GLU CB . 34263 1 780 . 1 1 67 67 GLU CG C 13 35.948 0.042 . 1 . . 989 . A 67 GLU CG . 34263 1 781 . 1 1 67 67 GLU N N 15 119.036 0.025 . 1 . . 6 . A 67 GLU N . 34263 1 782 . 1 1 68 68 PHE H H 1 8.514 0.004 . 1 . . 204 . A 68 PHE H . 34263 1 783 . 1 1 68 68 PHE HA H 1 4.100 0.006 . 1 . . 772 . A 68 PHE HA . 34263 1 784 . 1 1 68 68 PHE HB2 H 1 3.228 0.011 . 2 . . 775 . A 68 PHE HB2 . 34263 1 785 . 1 1 68 68 PHE HB3 H 1 3.131 0.006 . 2 . . 776 . A 68 PHE HB3 . 34263 1 786 . 1 1 68 68 PHE HD1 H 1 6.943 0.003 . 1 . . 1167 . A 68 PHE HD1 . 34263 1 787 . 1 1 68 68 PHE HD2 H 1 6.943 0.003 . 1 . . 1167 . A 68 PHE HD2 . 34263 1 788 . 1 1 68 68 PHE HZ H 1 7.018 . . 1 . . 1190 . A 68 PHE HZ . 34263 1 789 . 1 1 68 68 PHE C C 13 176.836 0.004 . 1 . . 243 . A 68 PHE C . 34263 1 790 . 1 1 68 68 PHE CA C 13 61.487 0.037 . 1 . . 624 . A 68 PHE CA . 34263 1 791 . 1 1 68 68 PHE CB C 13 39.523 0.055 . 1 . . 625 . A 68 PHE CB . 34263 1 792 . 1 1 68 68 PHE CD1 C 13 132.011 0.028 . 1 . . 352 . A 68 PHE CD1 . 34263 1 793 . 1 1 68 68 PHE CD2 C 13 132.011 0.028 . 1 . . 352 . A 68 PHE CD2 . 34263 1 794 . 1 1 68 68 PHE N N 15 123.913 0.023 . 1 . . 205 . A 68 PHE N . 34263 1 795 . 1 1 69 69 LEU H H 1 8.490 0.003 . 1 . . 237 . A 69 LEU H . 34263 1 796 . 1 1 69 69 LEU HA H 1 3.368 0.006 . 1 . . 856 . A 69 LEU HA . 34263 1 797 . 1 1 69 69 LEU HB2 H 1 1.480 0.005 . 2 . . 857 . A 69 LEU HB2 . 34263 1 798 . 1 1 69 69 LEU HB3 H 1 1.215 0.006 . 2 . . 858 . A 69 LEU HB3 . 34263 1 799 . 1 1 69 69 LEU HG H 1 0.963 0.006 . 1 . . 1218 . A 69 LEU HG . 34263 1 800 . 1 1 69 69 LEU HD11 H 1 0.747 0.003 . 2 . . 1142 . A 69 LEU HD11 . 34263 1 801 . 1 1 69 69 LEU HD12 H 1 0.747 0.003 . 2 . . 1142 . A 69 LEU HD12 . 34263 1 802 . 1 1 69 69 LEU HD13 H 1 0.747 0.003 . 2 . . 1142 . A 69 LEU HD13 . 34263 1 803 . 1 1 69 69 LEU HD21 H 1 0.698 0.002 . 2 . . 1144 . A 69 LEU HD21 . 34263 1 804 . 1 1 69 69 LEU HD22 H 1 0.698 0.002 . 2 . . 1144 . A 69 LEU HD22 . 34263 1 805 . 1 1 69 69 LEU HD23 H 1 0.698 0.002 . 2 . . 1144 . A 69 LEU HD23 . 34263 1 806 . 1 1 69 69 LEU C C 13 179.446 0.003 . 1 . . 242 . A 69 LEU C . 34263 1 807 . 1 1 69 69 LEU CA C 13 57.782 0.023 . 1 . . 622 . A 69 LEU CA . 34263 1 808 . 1 1 69 69 LEU CB C 13 41.139 0.037 . 1 . . 621 . A 69 LEU CB . 34263 1 809 . 1 1 69 69 LEU CG C 13 25.643 0.02 . 1 . . 1219 . A 69 LEU CG . 34263 1 810 . 1 1 69 69 LEU CD1 C 13 24.145 0.071 . 2 . . 1141 . A 69 LEU CD1 . 34263 1 811 . 1 1 69 69 LEU CD2 C 13 25.666 0.052 . 2 . . 1143 . A 69 LEU CD2 . 34263 1 812 . 1 1 69 69 LEU N N 15 120.013 0.027 . 1 . . 238 . A 69 LEU N . 34263 1 813 . 1 1 70 70 THR H H 1 7.747 0.001 . 1 . . 202 . A 70 THR H . 34263 1 814 . 1 1 70 70 THR HA H 1 3.814 0.006 . 1 . . 859 . A 70 THR HA . 34263 1 815 . 1 1 70 70 THR HB H 1 4.308 0.003 . 1 . . 860 . A 70 THR HB . 34263 1 816 . 1 1 70 70 THR HG21 H 1 1.220 0.003 . 1 . . 1107 . A 70 THR HG21 . 34263 1 817 . 1 1 70 70 THR HG22 H 1 1.220 0.003 . 1 . . 1107 . A 70 THR HG22 . 34263 1 818 . 1 1 70 70 THR HG23 H 1 1.220 0.003 . 1 . . 1107 . A 70 THR HG23 . 34263 1 819 . 1 1 70 70 THR C C 13 176.684 0.005 . 1 . . 278 . A 70 THR C . 34263 1 820 . 1 1 70 70 THR CA C 13 66.488 0.037 . 1 . . 620 . A 70 THR CA . 34263 1 821 . 1 1 70 70 THR CB C 13 68.487 0.034 . 1 . . 619 . A 70 THR CB . 34263 1 822 . 1 1 70 70 THR CG2 C 13 21.857 0.022 . 1 . . 1121 . A 70 THR CG2 . 34263 1 823 . 1 1 70 70 THR N N 15 116.839 0.024 . 1 . . 203 . A 70 THR N . 34263 1 824 . 1 1 71 71 MET H H 1 7.755 0.002 . 1 . . 191 . A 71 MET H . 34263 1 825 . 1 1 71 71 MET HA H 1 3.965 0.005 . 1 . . 861 . A 71 MET HA . 34263 1 826 . 1 1 71 71 MET HB2 H 1 2.046 0.006 . 2 . . 1094 . A 71 MET HB2 . 34263 1 827 . 1 1 71 71 MET HB3 H 1 1.947 0.004 . 2 . . 1095 . A 71 MET HB3 . 34263 1 828 . 1 1 71 71 MET HG2 H 1 2.418 0.004 . 2 . . 1092 . A 71 MET HG2 . 34263 1 829 . 1 1 71 71 MET HG3 H 1 2.640 0.007 . 2 . . 1093 . A 71 MET HG3 . 34263 1 830 . 1 1 71 71 MET HE1 H 1 1.955 0.002 . 1 . . 1148 . A 71 MET HE1 . 34263 1 831 . 1 1 71 71 MET HE2 H 1 1.955 0.002 . 1 . . 1148 . A 71 MET HE2 . 34263 1 832 . 1 1 71 71 MET HE3 H 1 1.955 0.002 . 1 . . 1148 . A 71 MET HE3 . 34263 1 833 . 1 1 71 71 MET C C 13 178.605 0.009 . 1 . . 308 . A 71 MET C . 34263 1 834 . 1 1 71 71 MET CA C 13 58.975 0.033 . 1 . . 623 . A 71 MET CA . 34263 1 835 . 1 1 71 71 MET CB C 13 32.495 0.048 . 1 . . 635 . A 71 MET CB . 34263 1 836 . 1 1 71 71 MET CG C 13 32.451 0.06 . 1 . . 973 . A 71 MET CG . 34263 1 837 . 1 1 71 71 MET CE C 13 18.273 0.052 . 1 . . 1149 . A 71 MET CE . 34263 1 838 . 1 1 71 71 MET N N 15 122.765 0.033 . 1 . . 192 . A 71 MET N . 34263 1 839 . 1 1 72 72 MET H H 1 8.028 0.002 . 1 . . 171 . A 72 MET H . 34263 1 840 . 1 1 72 72 MET HA H 1 4.051 0.004 . 1 . . 862 . A 72 MET HA . 34263 1 841 . 1 1 72 72 MET HB2 H 1 1.513 0.005 . 2 . . 863 . A 72 MET HB2 . 34263 1 842 . 1 1 72 72 MET HB3 H 1 1.368 0.009 . 2 . . 864 . A 72 MET HB3 . 34263 1 843 . 1 1 72 72 MET HG2 H 1 1.196 0.008 . 2 . . 1096 . A 72 MET HG2 . 34263 1 844 . 1 1 72 72 MET HG3 H 1 1.053 0.005 . 2 . . 1097 . A 72 MET HG3 . 34263 1 845 . 1 1 72 72 MET HE1 H 1 1.434 0.008 . 1 . . 1147 . A 72 MET HE1 . 34263 1 846 . 1 1 72 72 MET HE2 H 1 1.434 0.008 . 1 . . 1147 . A 72 MET HE2 . 34263 1 847 . 1 1 72 72 MET HE3 H 1 1.434 0.008 . 1 . . 1147 . A 72 MET HE3 . 34263 1 848 . 1 1 72 72 MET C C 13 178.579 0.004 . 1 . . 296 . A 72 MET C . 34263 1 849 . 1 1 72 72 MET CA C 13 55.867 0.054 . 1 . . 617 . A 72 MET CA . 34263 1 850 . 1 1 72 72 MET CB C 13 30.970 0.049 . 1 . . 618 . A 72 MET CB . 34263 1 851 . 1 1 72 72 MET CG C 13 31.937 0.048 . 1 . . 972 . A 72 MET CG . 34263 1 852 . 1 1 72 72 MET CE C 13 17.042 0.018 . 1 . . 1146 . A 72 MET CE . 34263 1 853 . 1 1 72 72 MET N N 15 118.796 0.031 . 1 . . 172 . A 72 MET N . 34263 1 854 . 1 1 73 73 ALA H H 1 8.294 0.002 . 1 . . 10 . A 73 ALA H . 34263 1 855 . 1 1 73 73 ALA HA H 1 4.035 0.005 . 1 . . 865 . A 73 ALA HA . 34263 1 856 . 1 1 73 73 ALA HB1 H 1 1.435 0.003 . 1 . . 866 . A 73 ALA HB1 . 34263 1 857 . 1 1 73 73 ALA HB2 H 1 1.435 0.003 . 1 . . 866 . A 73 ALA HB2 . 34263 1 858 . 1 1 73 73 ALA HB3 H 1 1.435 0.003 . 1 . . 866 . A 73 ALA HB3 . 34263 1 859 . 1 1 73 73 ALA C C 13 179.752 0.003 . 1 . . 320 . A 73 ALA C . 34263 1 860 . 1 1 73 73 ALA CA C 13 54.817 0.036 . 1 . . 615 . A 73 ALA CA . 34263 1 861 . 1 1 73 73 ALA CB C 13 18.059 0.052 . 1 . . 616 . A 73 ALA CB . 34263 1 862 . 1 1 73 73 ALA N N 15 122.424 0.025 . 1 . . 11 . A 73 ALA N . 34263 1 863 . 1 1 74 74 ARG H H 1 7.480 0.002 . 1 . . 34 . A 74 ARG H . 34263 1 864 . 1 1 74 74 ARG HA H 1 4.078 0.006 . 1 . . 867 . A 74 ARG HA . 34263 1 865 . 1 1 74 74 ARG HB2 H 1 1.941 0.005 . 1 . . 868 . A 74 ARG HB2 . 34263 1 866 . 1 1 74 74 ARG HB3 H 1 1.941 0.005 . 1 . . 869 . A 74 ARG HB3 . 34263 1 867 . 1 1 74 74 ARG HG2 H 1 1.796 0.004 . 2 . . 1011 . A 74 ARG HG2 . 34263 1 868 . 1 1 74 74 ARG HG3 H 1 1.663 0.003 . 2 . . 1012 . A 74 ARG HG3 . 34263 1 869 . 1 1 74 74 ARG HD2 H 1 3.187 0.005 . 2 . . 1013 . A 74 ARG HD2 . 34263 1 870 . 1 1 74 74 ARG HD3 H 1 3.185 0.004 . 2 . . 1014 . A 74 ARG HD3 . 34263 1 871 . 1 1 74 74 ARG C C 13 178.062 0.004 . 1 . . 264 . A 74 ARG C . 34263 1 872 . 1 1 74 74 ARG CA C 13 58.621 0.057 . 1 . . 613 . A 74 ARG CA . 34263 1 873 . 1 1 74 74 ARG CB C 13 30.272 0.072 . 1 . . 614 . A 74 ARG CB . 34263 1 874 . 1 1 74 74 ARG CG C 13 27.297 0.047 . 1 . . 976 . A 74 ARG CG . 34263 1 875 . 1 1 74 74 ARG CD C 13 43.664 0.022 . 1 . . 977 . A 74 ARG CD . 34263 1 876 . 1 1 74 74 ARG N N 15 118.162 0.028 . 1 . . 35 . A 74 ARG N . 34263 1 877 . 1 1 75 75 LYS H H 1 7.735 0.002 . 1 . . 183 . A 75 LYS H . 34263 1 878 . 1 1 75 75 LYS HA H 1 4.263 0.011 . 1 . . 872 . A 75 LYS HA . 34263 1 879 . 1 1 75 75 LYS HB2 H 1 1.946 0.005 . 2 . . 870 . A 75 LYS HB2 . 34263 1 880 . 1 1 75 75 LYS HB3 H 1 1.788 0.007 . 2 . . 871 . A 75 LYS HB3 . 34263 1 881 . 1 1 75 75 LYS HG2 H 1 1.453 0.008 . 2 . . 1080 . A 75 LYS HG2 . 34263 1 882 . 1 1 75 75 LYS HG3 H 1 1.458 0.007 . 2 . . 1081 . A 75 LYS HG3 . 34263 1 883 . 1 1 75 75 LYS HD2 H 1 1.616 0.006 . 2 . . 1184 . A 75 LYS HD2 . 34263 1 884 . 1 1 75 75 LYS HD3 H 1 1.714 0.003 . 2 . . 1185 . A 75 LYS HD3 . 34263 1 885 . 1 1 75 75 LYS C C 13 177.728 0.006 . 1 . . 313 . A 75 LYS C . 34263 1 886 . 1 1 75 75 LYS CA C 13 56.567 0.061 . 1 . . 610 . A 75 LYS CA . 34263 1 887 . 1 1 75 75 LYS CB C 13 31.771 0.054 . 1 . . 611 . A 75 LYS CB . 34263 1 888 . 1 1 75 75 LYS CG C 13 24.308 0.058 . 1 . . 962 . A 75 LYS CG . 34263 1 889 . 1 1 75 75 LYS CD C 13 28.119 0.063 . 1 . . 961 . A 75 LYS CD . 34263 1 890 . 1 1 75 75 LYS CE C 13 41.759 . . 1 . . 960 . A 75 LYS CE . 34263 1 891 . 1 1 75 75 LYS N N 15 119.629 0.027 . 1 . . 184 . A 75 LYS N . 34263 1 892 . 1 1 76 76 MET H H 1 7.956 0.002 . 1 . . 136 . A 76 MET H . 34263 1 893 . 1 1 76 76 MET HA H 1 4.348 0.006 . 1 . . 873 . A 76 MET HA . 34263 1 894 . 1 1 76 76 MET HB2 H 1 2.235 0.006 . 2 . . 874 . A 76 MET HB2 . 34263 1 895 . 1 1 76 76 MET HB3 H 1 2.042 0.004 . 2 . . 875 . A 76 MET HB3 . 34263 1 896 . 1 1 76 76 MET HG2 H 1 2.678 0.008 . 2 . . 1098 . A 76 MET HG2 . 34263 1 897 . 1 1 76 76 MET HG3 H 1 2.624 0.011 . 2 . . 1099 . A 76 MET HG3 . 34263 1 898 . 1 1 76 76 MET C C 13 176.510 0.005 . 1 . . 262 . A 76 MET C . 34263 1 899 . 1 1 76 76 MET CA C 13 56.393 0.033 . 1 . . 640 . A 76 MET CA . 34263 1 900 . 1 1 76 76 MET CB C 13 33.011 0.062 . 1 . . 612 . A 76 MET CB . 34263 1 901 . 1 1 76 76 MET CG C 13 32.237 0.006 . 1 . . 959 . A 76 MET CG . 34263 1 902 . 1 1 76 76 MET N N 15 119.435 0.024 . 1 . . 137 . A 76 MET N . 34263 1 903 . 1 1 77 77 LYS H H 1 7.780 0.002 . 1 . . 193 . A 77 LYS H . 34263 1 904 . 1 1 77 77 LYS HA H 1 4.315 0.005 . 1 . . 876 . A 77 LYS HA . 34263 1 905 . 1 1 77 77 LYS HB2 H 1 1.892 0.009 . 2 . . 877 . A 77 LYS HB2 . 34263 1 906 . 1 1 77 77 LYS HB3 H 1 1.892 0.009 . 2 . . 1188 . A 77 LYS HB3 . 34263 1 907 . 1 1 77 77 LYS HG2 H 1 1.505 0.009 . 2 . . 1082 . A 77 LYS HG2 . 34263 1 908 . 1 1 77 77 LYS HG3 H 1 1.489 0.004 . 2 . . 1083 . A 77 LYS HG3 . 34263 1 909 . 1 1 77 77 LYS HD2 H 1 1.724 0.0 . 1 . . 1084 . A 77 LYS HD2 . 34263 1 910 . 1 1 77 77 LYS HD3 H 1 1.724 0.0 . 1 . . 1085 . A 77 LYS HD3 . 34263 1 911 . 1 1 77 77 LYS HE2 H 1 3.033 0.0 . 1 . . 1086 . A 77 LYS HE2 . 34263 1 912 . 1 1 77 77 LYS HE3 H 1 3.033 0.0 . 1 . . 1087 . A 77 LYS HE3 . 34263 1 913 . 1 1 77 77 LYS C C 13 176.602 0.004 . 1 . . 268 . A 77 LYS C . 34263 1 914 . 1 1 77 77 LYS CA C 13 56.853 0.038 . 1 . . 638 . A 77 LYS CA . 34263 1 915 . 1 1 77 77 LYS CB C 13 33.011 0.038 . 1 . . 639 . A 77 LYS CB . 34263 1 916 . 1 1 77 77 LYS CG C 13 24.448 0.019 . 1 . . 957 . A 77 LYS CG . 34263 1 917 . 1 1 77 77 LYS CD C 13 29.091 0.043 . 1 . . 956 . A 77 LYS CD . 34263 1 918 . 1 1 77 77 LYS CE C 13 42.114 . . 1 . . 958 . A 77 LYS CE . 34263 1 919 . 1 1 77 77 LYS N N 15 122.173 0.035 . 1 . . 194 . A 77 LYS N . 34263 1 920 . 1 1 78 78 ASP H H 1 8.364 0.002 . 1 . . 114 . A 78 ASP H . 34263 1 921 . 1 1 78 78 ASP HA H 1 4.712 0.006 . 1 . . 878 . A 78 ASP HA . 34263 1 922 . 1 1 78 78 ASP HB2 H 1 2.819 . . 2 . . 879 . A 78 ASP HB2 . 34263 1 923 . 1 1 78 78 ASP HB3 H 1 2.717 . . 2 . . 880 . A 78 ASP HB3 . 34263 1 924 . 1 1 78 78 ASP C C 13 176.749 0.003 . 1 . . 323 . A 78 ASP C . 34263 1 925 . 1 1 78 78 ASP CA C 13 54.687 0.03 . 1 . . 637 . A 78 ASP CA . 34263 1 926 . 1 1 78 78 ASP CB C 13 41.077 0.003 . 1 . . 636 . A 78 ASP CB . 34263 1 927 . 1 1 78 78 ASP N N 15 123.507 0.025 . 1 . . 115 . A 78 ASP N . 34263 1 928 . 1 1 79 79 THR H H 1 8.183 0.002 . 1 . . 97 . A 79 THR H . 34263 1 929 . 1 1 79 79 THR HA H 1 4.326 0.004 . 1 . . 882 . A 79 THR HA . 34263 1 930 . 1 1 79 79 THR HB H 1 4.291 0.006 . 1 . . 881 . A 79 THR HB . 34263 1 931 . 1 1 79 79 THR HG21 H 1 1.252 0.002 . 1 . . 1108 . A 79 THR HG21 . 34263 1 932 . 1 1 79 79 THR HG22 H 1 1.252 0.002 . 1 . . 1108 . A 79 THR HG22 . 34263 1 933 . 1 1 79 79 THR HG23 H 1 1.252 0.002 . 1 . . 1108 . A 79 THR HG23 . 34263 1 934 . 1 1 79 79 THR C C 13 174.610 0.005 . 1 . . 302 . A 79 THR C . 34263 1 935 . 1 1 79 79 THR CA C 13 62.515 0.043 . 1 . . 498 . A 79 THR CA . 34263 1 936 . 1 1 79 79 THR CB C 13 69.767 0.035 . 1 . . 499 . A 79 THR CB . 34263 1 937 . 1 1 79 79 THR CG2 C 13 21.767 0.05 . 1 . . 1122 . A 79 THR CG2 . 34263 1 938 . 1 1 79 79 THR N N 15 116.211 0.028 . 1 . . 98 . A 79 THR N . 34263 1 939 . 1 1 80 80 ASP H H 1 8.477 0.002 . 1 . . 24 . A 80 ASP H . 34263 1 940 . 1 1 80 80 ASP HA H 1 4.706 0.004 . 1 . . 883 . A 80 ASP HA . 34263 1 941 . 1 1 80 80 ASP HB2 H 1 2.795 0.008 . 2 . . 884 . A 80 ASP HB2 . 34263 1 942 . 1 1 80 80 ASP HB3 H 1 2.745 0.006 . 2 . . 885 . A 80 ASP HB3 . 34263 1 943 . 1 1 80 80 ASP C C 13 176.848 0.002 . 1 . . 329 . A 80 ASP C . 34263 1 944 . 1 1 80 80 ASP CA C 13 54.779 0.047 . 1 . . 497 . A 80 ASP CA . 34263 1 945 . 1 1 80 80 ASP CB C 13 41.242 0.001 . 1 . . 496 . A 80 ASP CB . 34263 1 946 . 1 1 80 80 ASP N N 15 124.597 0.032 . 1 . . 25 . A 80 ASP N . 34263 1 947 . 1 1 81 81 SER H H 1 8.462 0.002 . 1 . . 102 . A 81 SER H . 34263 1 948 . 1 1 81 81 SER HA H 1 4.418 0.007 . 1 . . 886 . A 81 SER HA . 34263 1 949 . 1 1 81 81 SER HB2 H 1 4.036 0.002 . 2 . . 887 . A 81 SER HB2 . 34263 1 950 . 1 1 81 81 SER HB3 H 1 3.968 0.005 . 2 . . 888 . A 81 SER HB3 . 34263 1 951 . 1 1 81 81 SER C C 13 175.403 0.004 . 1 . . 249 . A 81 SER C . 34263 1 952 . 1 1 81 81 SER CA C 13 59.835 0.061 . 1 . . 494 . A 81 SER CA . 34263 1 953 . 1 1 81 81 SER CB C 13 63.617 0.037 . 1 . . 495 . A 81 SER CB . 34263 1 954 . 1 1 81 81 SER N N 15 118.499 0.027 . 1 . . 103 . A 81 SER N . 34263 1 955 . 1 1 82 82 GLU H H 1 8.459 0.003 . 1 . . 219 . A 82 GLU H . 34263 1 956 . 1 1 82 82 GLU CA C 13 59.141 . . 1 . . 670 . A 82 GLU CA . 34263 1 957 . 1 1 82 82 GLU N N 15 123.324 0.023 . 1 . . 220 . A 82 GLU N . 34263 1 958 . 1 1 95 95 ASP H H 1 8.604 0.002 . 1 . . 482 . A 95 ASP H . 34263 1 959 . 1 1 95 95 ASP HA H 1 4.757 0.003 . 1 . . 889 . A 95 ASP HA . 34263 1 960 . 1 1 95 95 ASP HB2 H 1 2.782 . . 2 . . 890 . A 95 ASP HB2 . 34263 1 961 . 1 1 95 95 ASP HB3 H 1 2.747 . . 2 . . 891 . A 95 ASP HB3 . 34263 1 962 . 1 1 95 95 ASP C C 13 176.848 0.004 . 1 . . 946 . A 95 ASP C . 34263 1 963 . 1 1 95 95 ASP CA C 13 54.365 0.041 . 1 . . 934 . A 95 ASP CA . 34263 1 964 . 1 1 95 95 ASP CB C 13 41.162 0.01 . 1 . . 936 . A 95 ASP CB . 34263 1 965 . 1 1 95 95 ASP N N 15 118.035 . . 1 . . 483 . A 95 ASP N . 34263 1 966 . 1 1 96 96 GLY H H 1 8.051 0.005 . 1 . . 116 . A 96 GLY H . 34263 1 967 . 1 1 96 96 GLY C C 13 175.162 0.0 . 1 . . 945 . A 96 GLY C . 34263 1 968 . 1 1 96 96 GLY CA C 13 46.838 0.012 . 1 . . 935 . A 96 GLY CA . 34263 1 969 . 1 1 96 96 GLY N N 15 111.350 0.037 . 1 . . 117 . A 96 GLY N . 34263 1 970 . 1 1 107 107 HIS HB2 H 1 3.287 . . 2 . . 1186 . A 107 HIS HB2 . 34263 1 971 . 1 1 107 107 HIS HB3 H 1 3.145 . . 2 . . 1187 . A 107 HIS HB3 . 34263 1 972 . 1 1 107 107 HIS CB C 13 29.394 0.058 . 1 . . 473 . A 107 HIS CB . 34263 1 973 . 1 1 112 112 LEU HA H 1 4.350 0.005 . 1 . . 892 . A 112 LEU HA . 34263 1 974 . 1 1 112 112 LEU HB2 H 1 1.750 0.005 . 2 . . 893 . A 112 LEU HB2 . 34263 1 975 . 1 1 112 112 LEU HB3 H 1 1.602 0.003 . 2 . . 894 . A 112 LEU HB3 . 34263 1 976 . 1 1 112 112 LEU HD11 H 1 0.799 0.002 . 2 . . 1145 . A 112 LEU HD11 . 34263 1 977 . 1 1 112 112 LEU HD12 H 1 0.799 0.002 . 2 . . 1145 . A 112 LEU HD12 . 34263 1 978 . 1 1 112 112 LEU HD13 H 1 0.799 0.002 . 2 . . 1145 . A 112 LEU HD13 . 34263 1 979 . 1 1 112 112 LEU HD21 H 1 0.785 . . 2 . . 1164 . A 112 LEU HD21 . 34263 1 980 . 1 1 112 112 LEU HD22 H 1 0.785 . . 2 . . 1164 . A 112 LEU HD22 . 34263 1 981 . 1 1 112 112 LEU HD23 H 1 0.785 . . 2 . . 1164 . A 112 LEU HD23 . 34263 1 982 . 1 1 112 112 LEU C C 13 177.663 0.003 . 1 . . 252 . A 112 LEU C . 34263 1 983 . 1 1 112 112 LEU CA C 13 55.350 0.018 . 1 . . 932 . A 112 LEU CA . 34263 1 984 . 1 1 112 112 LEU CB C 13 42.699 0.038 . 1 . . 933 . A 112 LEU CB . 34263 1 985 . 1 1 112 112 LEU CD1 C 13 26.228 0.033 . 2 . . 1163 . A 112 LEU CD1 . 34263 1 986 . 1 1 112 112 LEU CD2 C 13 23.178 . . 2 . . 1165 . A 112 LEU CD2 . 34263 1 987 . 1 1 113 113 GLY H H 1 8.179 0.004 . 1 . . 110 . A 113 GLY H . 34263 1 988 . 1 1 113 113 GLY HA2 H 1 3.960 . . 2 . . 895 . A 113 GLY HA2 . 34263 1 989 . 1 1 113 113 GLY HA3 H 1 3.928 0.02 . 2 . . 896 . A 113 GLY HA3 . 34263 1 990 . 1 1 113 113 GLY C C 13 174.694 0.004 . 1 . . 266 . A 113 GLY C . 34263 1 991 . 1 1 113 113 GLY CA C 13 46.175 0.021 . 1 . . 663 . A 113 GLY CA . 34263 1 992 . 1 1 113 113 GLY N N 15 109.455 0.031 . 1 . . 111 . A 113 GLY N . 34263 1 993 . 1 1 114 114 GLU H H 1 8.186 0.004 . 1 . . 73 . A 114 GLU H . 34263 1 994 . 1 1 114 114 GLU HA H 1 4.294 0.003 . 1 . . 897 . A 114 GLU HA . 34263 1 995 . 1 1 114 114 GLU HB2 H 1 2.094 0.005 . 2 . . 898 . A 114 GLU HB2 . 34263 1 996 . 1 1 114 114 GLU HB3 H 1 1.936 0.006 . 2 . . 899 . A 114 GLU HB3 . 34263 1 997 . 1 1 114 114 GLU HG2 H 1 2.269 0.0 . 2 . . 1043 . A 114 GLU HG2 . 34263 1 998 . 1 1 114 114 GLU HG3 H 1 2.283 0.005 . 2 . . 1044 . A 114 GLU HG3 . 34263 1 999 . 1 1 114 114 GLU C C 13 176.305 0.003 . 1 . . 289 . A 114 GLU C . 34263 1 1000 . 1 1 114 114 GLU CA C 13 56.567 0.037 . 1 . . 660 . A 114 GLU CA . 34263 1 1001 . 1 1 114 114 GLU CB C 13 29.661 0.02 . 1 . . 659 . A 114 GLU CB . 34263 1 1002 . 1 1 114 114 GLU CG C 13 35.941 0.039 . 1 . . 955 . A 114 GLU CG . 34263 1 1003 . 1 1 114 114 GLU N N 15 121.384 0.052 . 1 . . 74 . A 114 GLU N . 34263 1 1004 . 1 1 115 115 LYS H H 1 8.258 0.003 . 1 . . 221 . A 115 LYS H . 34263 1 1005 . 1 1 115 115 LYS HA H 1 4.246 . . 1 . . 1250 . A 115 LYS HA . 34263 1 1006 . 1 1 115 115 LYS C C 13 176.237 0.0 . 1 . . 944 . A 115 LYS C . 34263 1 1007 . 1 1 115 115 LYS CA C 13 56.700 0.019 . 1 . . 662 . A 115 LYS CA . 34263 1 1008 . 1 1 115 115 LYS CB C 13 32.710 . . 1 . . 661 . A 115 LYS CB . 34263 1 1009 . 1 1 115 115 LYS N N 15 121.792 0.05 . 1 . . 222 . A 115 LYS N . 34263 1 1010 . 1 1 127 127 GLU HA H 1 4.206 0.007 . 1 . . 900 . A 127 GLU HA . 34263 1 1011 . 1 1 127 127 GLU CA C 13 57.182 0.051 . 1 . . 954 . A 127 GLU CA . 34263 1 1012 . 1 1 127 127 GLU CB C 13 29.736 . . 1 . . 953 . A 127 GLU CB . 34263 1 1013 . 1 1 128 128 ALA H H 1 7.698 0.006 . 1 . . 387 . A 128 ALA H . 34263 1 1014 . 1 1 128 128 ALA HA H 1 4.307 0.005 . 1 . . 902 . A 128 ALA HA . 34263 1 1015 . 1 1 128 128 ALA HB1 H 1 1.417 0.006 . 1 . . 901 . A 128 ALA HB1 . 34263 1 1016 . 1 1 128 128 ALA HB2 H 1 1.417 0.006 . 1 . . 901 . A 128 ALA HB2 . 34263 1 1017 . 1 1 128 128 ALA HB3 H 1 1.417 0.006 . 1 . . 901 . A 128 ALA HB3 . 34263 1 1018 . 1 1 128 128 ALA C C 13 177.281 0.002 . 1 . . 253 . A 128 ALA C . 34263 1 1019 . 1 1 128 128 ALA CA C 13 52.599 0.074 . 1 . . 657 . A 128 ALA CA . 34263 1 1020 . 1 1 128 128 ALA CB C 13 19.503 0.059 . 1 . . 658 . A 128 ALA CB . 34263 1 1021 . 1 1 128 128 ALA N N 15 123.446 0.033 . 1 . . 388 . A 128 ALA N . 34263 1 1022 . 1 1 129 129 ASP H H 1 8.367 0.003 . 1 . . 54 . A 129 ASP H . 34263 1 1023 . 1 1 129 129 ASP HA H 1 4.674 0.005 . 1 . . 903 . A 129 ASP HA . 34263 1 1024 . 1 1 129 129 ASP HB2 H 1 2.848 0.007 . 2 . . 904 . A 129 ASP HB2 . 34263 1 1025 . 1 1 129 129 ASP HB3 H 1 2.619 0.004 . 2 . . 905 . A 129 ASP HB3 . 34263 1 1026 . 1 1 129 129 ASP C C 13 175.886 0.003 . 1 . . 291 . A 129 ASP C . 34263 1 1027 . 1 1 129 129 ASP CA C 13 54.359 0.021 . 1 . . 656 . A 129 ASP CA . 34263 1 1028 . 1 1 129 129 ASP CB C 13 40.699 0.038 . 1 . . 655 . A 129 ASP CB . 34263 1 1029 . 1 1 129 129 ASP N N 15 121.341 0.052 . 1 . . 55 . A 129 ASP N . 34263 1 1030 . 1 1 130 130 ILE H H 1 7.919 0.003 . 1 . . 104 . A 130 ILE H . 34263 1 1031 . 1 1 130 130 ILE HA H 1 4.428 0.007 . 1 . . 906 . A 130 ILE HA . 34263 1 1032 . 1 1 130 130 ILE HB H 1 1.857 0.006 . 1 . . 907 . A 130 ILE HB . 34263 1 1033 . 1 1 130 130 ILE HG12 H 1 1.138 0.01 . 2 . . 1054 . A 130 ILE HG12 . 34263 1 1034 . 1 1 130 130 ILE HG13 H 1 1.542 0.005 . 2 . . 1055 . A 130 ILE HG13 . 34263 1 1035 . 1 1 130 130 ILE HG21 H 1 0.956 . . 1 . . 1056 . A 130 ILE HG21 . 34263 1 1036 . 1 1 130 130 ILE HG22 H 1 0.956 . . 1 . . 1056 . A 130 ILE HG22 . 34263 1 1037 . 1 1 130 130 ILE HG23 H 1 0.956 . . 1 . . 1056 . A 130 ILE HG23 . 34263 1 1038 . 1 1 130 130 ILE HD11 H 1 0.868 0.008 . 1 . . 1057 . A 130 ILE HD11 . 34263 1 1039 . 1 1 130 130 ILE HD12 H 1 0.868 0.008 . 1 . . 1057 . A 130 ILE HD12 . 34263 1 1040 . 1 1 130 130 ILE HD13 H 1 0.868 0.008 . 1 . . 1057 . A 130 ILE HD13 . 34263 1 1041 . 1 1 130 130 ILE C C 13 176.765 0.004 . 1 . . 279 . A 130 ILE C . 34263 1 1042 . 1 1 130 130 ILE CA C 13 61.208 0.059 . 1 . . 653 . A 130 ILE CA . 34263 1 1043 . 1 1 130 130 ILE CB C 13 39.263 0.029 . 1 . . 654 . A 130 ILE CB . 34263 1 1044 . 1 1 130 130 ILE CG1 C 13 27.265 0.031 . 1 . . 950 . A 130 ILE CG1 . 34263 1 1045 . 1 1 130 130 ILE CG2 C 13 17.507 . . 1 . . 951 . A 130 ILE CG2 . 34263 1 1046 . 1 1 130 130 ILE CD1 C 13 13.361 0.025 . 1 . . 952 . A 130 ILE CD1 . 34263 1 1047 . 1 1 130 130 ILE N N 15 122.284 0.047 . 1 . . 105 . A 130 ILE N . 34263 1 1048 . 1 1 131 131 ASP H H 1 8.578 0.003 . 1 . . 48 . A 131 ASP H . 34263 1 1049 . 1 1 131 131 ASP HA H 1 4.732 0.005 . 1 . . 908 . A 131 ASP HA . 34263 1 1050 . 1 1 131 131 ASP HB2 H 1 2.832 . . 2 . . 909 . A 131 ASP HB2 . 34263 1 1051 . 1 1 131 131 ASP HB3 H 1 2.652 . . 2 . . 910 . A 131 ASP HB3 . 34263 1 1052 . 1 1 131 131 ASP C C 13 177.680 0.004 . 1 . . 328 . A 131 ASP C . 34263 1 1053 . 1 1 131 131 ASP CA C 13 53.793 0.009 . 1 . . 652 . A 131 ASP CA . 34263 1 1054 . 1 1 131 131 ASP CB C 13 41.340 0.01 . 1 . . 651 . A 131 ASP CB . 34263 1 1055 . 1 1 131 131 ASP N N 15 124.784 0.049 . 1 . . 49 . A 131 ASP N . 34263 1 1056 . 1 1 132 132 GLY H H 1 8.283 0.002 . 1 . . 86 . A 132 GLY H . 34263 1 1057 . 1 1 132 132 GLY HA2 H 1 3.969 0.008 . 2 . . 911 . A 132 GLY HA2 . 34263 1 1058 . 1 1 132 132 GLY HA3 H 1 3.922 0.009 . 2 . . 912 . A 132 GLY HA3 . 34263 1 1059 . 1 1 132 132 GLY C C 13 174.585 0.007 . 1 . . 312 . A 132 GLY C . 34263 1 1060 . 1 1 132 132 GLY CA C 13 46.361 0.006 . 1 . . 650 . A 132 GLY CA . 34263 1 1061 . 1 1 132 132 GLY N N 15 109.312 0.034 . 1 . . 87 . A 132 GLY N . 34263 1 1062 . 1 1 133 133 ASP H H 1 8.354 0.003 . 1 . . 121 . A 133 ASP H . 34263 1 1063 . 1 1 133 133 ASP HA H 1 4.800 0.005 . 1 . . 913 . A 133 ASP HA . 34263 1 1064 . 1 1 133 133 ASP HB2 H 1 2.795 . . 2 . . 914 . A 133 ASP HB2 . 34263 1 1065 . 1 1 133 133 ASP HB3 H 1 2.683 . . 2 . . 915 . A 133 ASP HB3 . 34263 1 1066 . 1 1 133 133 ASP C C 13 176.926 0.004 . 1 . . 319 . A 133 ASP C . 34263 1 1067 . 1 1 133 133 ASP CA C 13 53.898 0.021 . 1 . . 648 . A 133 ASP CA . 34263 1 1068 . 1 1 133 133 ASP CB C 13 41.488 0.013 . 1 . . 649 . A 133 ASP CB . 34263 1 1069 . 1 1 133 133 ASP N N 15 120.997 0.041 . 1 . . 122 . A 133 ASP N . 34263 1 1070 . 1 1 134 134 GLY H H 1 8.603 0.003 . 1 . . 28 . A 134 GLY H . 34263 1 1071 . 1 1 134 134 GLY HA2 H 1 4.128 0.002 . 2 . . 916 . A 134 GLY HA2 . 34263 1 1072 . 1 1 134 134 GLY HA3 H 1 3.803 0.01 . 2 . . 917 . A 134 GLY HA3 . 34263 1 1073 . 1 1 134 134 GLY C C 13 174.173 0.004 . 1 . . 248 . A 134 GLY C . 34263 1 1074 . 1 1 134 134 GLY CA C 13 45.872 0.05 . 1 . . 929 . A 134 GLY CA . 34263 1 1075 . 1 1 134 134 GLY N N 15 110.635 0.025 . 1 . . 29 . A 134 GLY N . 34263 1 1076 . 1 1 135 135 GLN H H 1 8.337 0.005 . 1 . . 158 . A 135 GLN H . 34263 1 1077 . 1 1 135 135 GLN C C 13 175.090 0.0 . 1 . . 943 . A 135 GLN C . 34263 1 1078 . 1 1 135 135 GLN CA C 13 55.083 0.001 . 1 . . 647 . A 135 GLN CA . 34263 1 1079 . 1 1 135 135 GLN CB C 13 30.576 . . 1 . . 930 . A 135 GLN CB . 34263 1 1080 . 1 1 135 135 GLN N N 15 121.128 0.039 . 1 . . 159 . A 135 GLN N . 34263 1 1081 . 1 1 146 146 THR H H 1 7.764 0.007 . 1 . . 478 . A 146 THR H . 34263 1 1082 . 1 1 146 146 THR HA H 1 4.348 0.009 . 1 . . 920 . A 146 THR HA . 34263 1 1083 . 1 1 146 146 THR HB H 1 4.346 0.01 . 1 . . 921 . A 146 THR HB . 34263 1 1084 . 1 1 146 146 THR HG21 H 1 1.253 0.003 . 1 . . 1109 . A 146 THR HG21 . 34263 1 1085 . 1 1 146 146 THR HG22 H 1 1.253 0.003 . 1 . . 1109 . A 146 THR HG22 . 34263 1 1086 . 1 1 146 146 THR HG23 H 1 1.253 0.003 . 1 . . 1109 . A 146 THR HG23 . 34263 1 1087 . 1 1 146 146 THR CA C 13 62.355 0.072 . 1 . . 644 . A 146 THR CA . 34263 1 1088 . 1 1 146 146 THR CB C 13 69.825 0.046 . 1 . . 643 . A 146 THR CB . 34263 1 1089 . 1 1 146 146 THR CG2 C 13 21.700 0.029 . 1 . . 1123 . A 146 THR CG2 . 34263 1 1090 . 1 1 146 146 THR N N 15 111.883 0.046 . 1 . . 479 . A 146 THR N . 34263 1 1091 . 1 1 147 147 ALA H H 1 7.695 0.006 . 1 . . 474 . A 147 ALA H . 34263 1 1092 . 1 1 147 147 ALA HA H 1 4.385 0.003 . 1 . . 918 . A 147 ALA HA . 34263 1 1093 . 1 1 147 147 ALA HB1 H 1 1.460 0.003 . 1 . . 919 . A 147 ALA HB1 . 34263 1 1094 . 1 1 147 147 ALA HB2 H 1 1.460 0.003 . 1 . . 919 . A 147 ALA HB2 . 34263 1 1095 . 1 1 147 147 ALA HB3 H 1 1.460 0.003 . 1 . . 919 . A 147 ALA HB3 . 34263 1 1096 . 1 1 147 147 ALA C C 13 176.766 0.004 . 1 . . 300 . A 147 ALA C . 34263 1 1097 . 1 1 147 147 ALA CA C 13 52.798 0.02 . 1 . . 642 . A 147 ALA CA . 34263 1 1098 . 1 1 147 147 ALA CB C 13 19.092 0.043 . 1 . . 641 . A 147 ALA CB . 34263 1 1099 . 1 1 147 147 ALA N N 15 127.288 0.014 . 1 . . 475 . A 147 ALA N . 34263 1 1100 . 1 1 148 148 LYS H H 1 7.773 0.004 . 1 . . 166 . A 148 LYS H . 34263 1 1101 . 1 1 148 148 LYS HA H 1 4.176 . . 1 . . 1158 . A 148 LYS HA . 34263 1 1102 . 1 1 148 148 LYS HB2 H 1 1.872 0.0 . 2 . . 1248 . A 148 LYS HB2 . 34263 1 1103 . 1 1 148 148 LYS HB3 H 1 1.753 0.001 . 2 . . 1249 . A 148 LYS HB3 . 34263 1 1104 . 1 1 148 148 LYS C C 13 181.488 0.0 . 1 . . 942 . A 148 LYS C . 34263 1 1105 . 1 1 148 148 LYS CA C 13 57.595 0.016 . 1 . . 928 . A 148 LYS CA . 34263 1 1106 . 1 1 148 148 LYS CB C 13 33.692 0.062 . 1 . . 645 . A 148 LYS CB . 34263 1 1107 . 1 1 148 148 LYS N N 15 127.054 0.035 . 1 . . 167 . A 148 LYS N . 34263 1 stop_ save_