data_30955 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30955 _Entry.Title ; SARS-CoV-2 Nucleocapsid N-terminal domain (N-NTD) protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-09-29 _Entry.Accession_date 2021-09-29 _Entry.Last_release_date 2021-10-15 _Entry.Original_release_date 2021-10-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLID-STATE NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 S. Sarkar S. . . . 30955 2 B. Runge B. . . . 30955 3 R. Russell R. W. . . 30955 4 D. Calero D. . . . 30955 5 S. Zeinalilathori S. . . . 30955 6 C. Quinn C. M. . . 30955 7 M. Lu M. . . . 30955 8 G. Calero G. . . . 30955 9 A. Gronenborn A. M. . . 30955 10 T. Polenova T. . . . 30955 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID COVID-19 . 30955 'N-terminal domain' . 30955 'RNA-binding domain' . 30955 SARS-CoV-2 . 30955 'STRUCTURAL PROTEIN' . 30955 'nucleocapsid protein' . 30955 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30955 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 595 30955 '15N chemical shifts' 147 30955 '1H chemical shifts' 133 30955 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 . . 2022-11-02 2021-09-29 update BMRB 'update entry citation' 30955 1 . . 2022-06-03 2021-09-29 original author 'original release' 30955 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7SD4 'BMRB Entry Tracking System' 30955 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30955 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35638584 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Atomic-Resolution Structure of SARS-CoV-2 Nucleocapsid Protein N-Terminal Domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 144 _Citation.Journal_issue 23 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 10543 _Citation.Page_last 10555 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sucharita Sarkar S. . . . 30955 1 2 Brent Runge B. . . . 30955 1 3 Ryan Russell R. W. . . 30955 1 4 'Kumar Tekwani' Movellan K. T. . . 30955 1 5 Daniel Calero D. . . . 30955 1 6 Somayeh Zeinalilathori S. . . . 30955 1 7 Caitlin Quinn C. M. . . 30955 1 8 Manman Lu M. . . . 30955 1 9 Guillermo Calero G. . . . 30955 1 10 Angela Gronenborn A. M. . . 30955 1 11 Tatyana Polenova T. . . . 30955 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30955 _Assembly.ID 1 _Assembly.Name Nucleoprotein _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 30955 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30955 _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 ; SRRPQGLPNNTASWFTALTQ HGKEDLKFPRGQGVPINTNS SPDDQIGYYRRATRRIRGGD GKMKDLSPRWYFYYLGTGPE AGLPYGANKDGIIWVATEGA LNTPKDHIGTRNPANNAAIV LQLPQGTTLPKGFYAE ; _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 136 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14994.733 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID N common 30955 1 NC common 30955 1 'Nucleocapsid protein' common 30955 1 'Protein N' common 30955 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 30955 1 2 . ARG . 30955 1 3 . ARG . 30955 1 4 . PRO . 30955 1 5 . GLN . 30955 1 6 . GLY . 30955 1 7 . LEU . 30955 1 8 . PRO . 30955 1 9 . ASN . 30955 1 10 . ASN . 30955 1 11 . THR . 30955 1 12 . ALA . 30955 1 13 . SER . 30955 1 14 . TRP . 30955 1 15 . PHE . 30955 1 16 . THR . 30955 1 17 . ALA . 30955 1 18 . LEU . 30955 1 19 . THR . 30955 1 20 . GLN . 30955 1 21 . HIS . 30955 1 22 . GLY . 30955 1 23 . LYS . 30955 1 24 . GLU . 30955 1 25 . ASP . 30955 1 26 . LEU . 30955 1 27 . LYS . 30955 1 28 . PHE . 30955 1 29 . PRO . 30955 1 30 . ARG . 30955 1 31 . GLY . 30955 1 32 . GLN . 30955 1 33 . GLY . 30955 1 34 . VAL . 30955 1 35 . PRO . 30955 1 36 . ILE . 30955 1 37 . ASN . 30955 1 38 . THR . 30955 1 39 . ASN . 30955 1 40 . SER . 30955 1 41 . SER . 30955 1 42 . PRO . 30955 1 43 . ASP . 30955 1 44 . ASP . 30955 1 45 . GLN . 30955 1 46 . ILE . 30955 1 47 . GLY . 30955 1 48 . TYR . 30955 1 49 . TYR . 30955 1 50 . ARG . 30955 1 51 . ARG . 30955 1 52 . ALA . 30955 1 53 . THR . 30955 1 54 . ARG . 30955 1 55 . ARG . 30955 1 56 . ILE . 30955 1 57 . ARG . 30955 1 58 . GLY . 30955 1 59 . GLY . 30955 1 60 . ASP . 30955 1 61 . GLY . 30955 1 62 . LYS . 30955 1 63 . MET . 30955 1 64 . LYS . 30955 1 65 . ASP . 30955 1 66 . LEU . 30955 1 67 . SER . 30955 1 68 . PRO . 30955 1 69 . ARG . 30955 1 70 . TRP . 30955 1 71 . TYR . 30955 1 72 . PHE . 30955 1 73 . TYR . 30955 1 74 . TYR . 30955 1 75 . LEU . 30955 1 76 . GLY . 30955 1 77 . THR . 30955 1 78 . GLY . 30955 1 79 . PRO . 30955 1 80 . GLU . 30955 1 81 . ALA . 30955 1 82 . GLY . 30955 1 83 . LEU . 30955 1 84 . PRO . 30955 1 85 . TYR . 30955 1 86 . GLY . 30955 1 87 . ALA . 30955 1 88 . ASN . 30955 1 89 . LYS . 30955 1 90 . ASP . 30955 1 91 . GLY . 30955 1 92 . ILE . 30955 1 93 . ILE . 30955 1 94 . TRP . 30955 1 95 . VAL . 30955 1 96 . ALA . 30955 1 97 . THR . 30955 1 98 . GLU . 30955 1 99 . GLY . 30955 1 100 . ALA . 30955 1 101 . LEU . 30955 1 102 . ASN . 30955 1 103 . THR . 30955 1 104 . PRO . 30955 1 105 . LYS . 30955 1 106 . ASP . 30955 1 107 . HIS . 30955 1 108 . ILE . 30955 1 109 . GLY . 30955 1 110 . THR . 30955 1 111 . ARG . 30955 1 112 . ASN . 30955 1 113 . PRO . 30955 1 114 . ALA . 30955 1 115 . ASN . 30955 1 116 . ASN . 30955 1 117 . ALA . 30955 1 118 . ALA . 30955 1 119 . ILE . 30955 1 120 . VAL . 30955 1 121 . LEU . 30955 1 122 . GLN . 30955 1 123 . LEU . 30955 1 124 . PRO . 30955 1 125 . GLN . 30955 1 126 . GLY . 30955 1 127 . THR . 30955 1 128 . THR . 30955 1 129 . LEU . 30955 1 130 . PRO . 30955 1 131 . LYS . 30955 1 132 . GLY . 30955 1 133 . PHE . 30955 1 134 . TYR . 30955 1 135 . ALA . 30955 1 136 . GLU . 30955 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 . SER 1 1 30955 1 . ARG 2 2 30955 1 . ARG 3 3 30955 1 . PRO 4 4 30955 1 . GLN 5 5 30955 1 . GLY 6 6 30955 1 . LEU 7 7 30955 1 . PRO 8 8 30955 1 . ASN 9 9 30955 1 . ASN 10 10 30955 1 . THR 11 11 30955 1 . ALA 12 12 30955 1 . SER 13 13 30955 1 . TRP 14 14 30955 1 . PHE 15 15 30955 1 . THR 16 16 30955 1 . ALA 17 17 30955 1 . LEU 18 18 30955 1 . THR 19 19 30955 1 . GLN 20 20 30955 1 . HIS 21 21 30955 1 . GLY 22 22 30955 1 . LYS 23 23 30955 1 . GLU 24 24 30955 1 . ASP 25 25 30955 1 . LEU 26 26 30955 1 . LYS 27 27 30955 1 . PHE 28 28 30955 1 . PRO 29 29 30955 1 . ARG 30 30 30955 1 . GLY 31 31 30955 1 . GLN 32 32 30955 1 . GLY 33 33 30955 1 . VAL 34 34 30955 1 . PRO 35 35 30955 1 . ILE 36 36 30955 1 . ASN 37 37 30955 1 . THR 38 38 30955 1 . ASN 39 39 30955 1 . SER 40 40 30955 1 . SER 41 41 30955 1 . PRO 42 42 30955 1 . ASP 43 43 30955 1 . ASP 44 44 30955 1 . GLN 45 45 30955 1 . ILE 46 46 30955 1 . GLY 47 47 30955 1 . TYR 48 48 30955 1 . TYR 49 49 30955 1 . ARG 50 50 30955 1 . ARG 51 51 30955 1 . ALA 52 52 30955 1 . THR 53 53 30955 1 . ARG 54 54 30955 1 . ARG 55 55 30955 1 . ILE 56 56 30955 1 . ARG 57 57 30955 1 . GLY 58 58 30955 1 . GLY 59 59 30955 1 . ASP 60 60 30955 1 . GLY 61 61 30955 1 . LYS 62 62 30955 1 . MET 63 63 30955 1 . LYS 64 64 30955 1 . ASP 65 65 30955 1 . LEU 66 66 30955 1 . SER 67 67 30955 1 . PRO 68 68 30955 1 . ARG 69 69 30955 1 . TRP 70 70 30955 1 . TYR 71 71 30955 1 . PHE 72 72 30955 1 . TYR 73 73 30955 1 . TYR 74 74 30955 1 . LEU 75 75 30955 1 . GLY 76 76 30955 1 . THR 77 77 30955 1 . GLY 78 78 30955 1 . PRO 79 79 30955 1 . GLU 80 80 30955 1 . ALA 81 81 30955 1 . GLY 82 82 30955 1 . LEU 83 83 30955 1 . PRO 84 84 30955 1 . TYR 85 85 30955 1 . GLY 86 86 30955 1 . ALA 87 87 30955 1 . ASN 88 88 30955 1 . LYS 89 89 30955 1 . ASP 90 90 30955 1 . GLY 91 91 30955 1 . ILE 92 92 30955 1 . ILE 93 93 30955 1 . TRP 94 94 30955 1 . VAL 95 95 30955 1 . ALA 96 96 30955 1 . THR 97 97 30955 1 . GLU 98 98 30955 1 . GLY 99 99 30955 1 . ALA 100 100 30955 1 . LEU 101 101 30955 1 . ASN 102 102 30955 1 . THR 103 103 30955 1 . PRO 104 104 30955 1 . LYS 105 105 30955 1 . ASP 106 106 30955 1 . HIS 107 107 30955 1 . ILE 108 108 30955 1 . GLY 109 109 30955 1 . THR 110 110 30955 1 . ARG 111 111 30955 1 . ASN 112 112 30955 1 . PRO 113 113 30955 1 . ALA 114 114 30955 1 . ASN 115 115 30955 1 . ASN 116 116 30955 1 . ALA 117 117 30955 1 . ALA 118 118 30955 1 . ILE 119 119 30955 1 . VAL 120 120 30955 1 . LEU 121 121 30955 1 . GLN 122 122 30955 1 . LEU 123 123 30955 1 . PRO 124 124 30955 1 . GLN 125 125 30955 1 . GLY 126 126 30955 1 . THR 127 127 30955 1 . THR 128 128 30955 1 . LEU 129 129 30955 1 . PRO 130 130 30955 1 . LYS 131 131 30955 1 . GLY 132 132 30955 1 . PHE 133 133 30955 1 . TYR 134 134 30955 1 . ALA 135 135 30955 1 . GLU 136 136 30955 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 30955 _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 . 2697049 . . 'Severe acute respiratory syndrome coronavirus 2' '2019-nCoV, SARS-CoV-2' . . Viruses . Betacoronavirus HCoV-SARS SARS-CoV-2 . . . . . . . . . . . . 30955 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 30955 _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 BL21(DE3)' . . 469008 . . BL21(DE3) . . . . . . . . . 30955 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30955 _Sample.ID 1 _Sample.Name . _Sample.Type solid _Sample.Sub_type . _Sample.Details '30 mg/mL [U-100% 13C; U-100% 15N] N-NTD, water' _Sample.Aggregate_sample_number . _Sample.Solvent_system water _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 N-NTD '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 30 . . mg/mL . . . . 30955 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 30955 _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' 50 . mM 30955 1 pH 6.2 . pH 30955 1 pressure 1 . atm 30955 1 temperature 298.15 . K 30955 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30955 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30955 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 30955 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30955 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30955 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30955 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30955 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Stevens TJ, Fogh RH, Boucher W, Higman VA, Eisenmenger F, Bardiaux B, van Rossum BJ, Oschkinat H, Laue ED' . . 30955 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 30955 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30955 _Software.ID 4 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee W, Tonelli M, Markley JL' . . 30955 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30955 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30955 _Software.ID 5 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30955 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30955 5 'structure calculation' . 30955 5 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 30955 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30955 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 600 . . . 30955 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 30955 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D CORD 25 ms' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30955 1 2 '2D CORD 100 ms' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30955 1 3 '2D CORD 250 ms' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30955 1 4 '2D CORD 500 ms' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30955 1 5 '2D NCACX 25 ms' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30955 1 6 '2D NCOCX 25 ms' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30955 1 7 '2D CP RFDR' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30955 1 8 '2D hNH HETCOR' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30955 1 9 '2D hCH HETCOR' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30955 1 10 '3D hCANH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30955 1 11 '3D hCONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30955 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 30955 _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 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . 30955 1 H 1 'ammonium chloride' nitrogen . . . . ppm 39.2 external direct 1.0 . . . . . 30955 1 N 15 adamantane 'methyl carbons' . . . . ppm 40.76 external direct 1.0 . . . . . 30955 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 30955 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D CORD 25 ms' . . . 30955 1 2 '2D CORD 100 ms' . . . 30955 1 3 '2D CORD 250 ms' . . . 30955 1 4 '2D CORD 500 ms' . . . 30955 1 5 '2D NCACX 25 ms' . . . 30955 1 6 '2D NCOCX 25 ms' . . . 30955 1 7 '2D CP RFDR' . . . 30955 1 8 '2D hNH HETCOR' . . . 30955 1 9 '2D hCH HETCOR' . . . 30955 1 10 '3D hCANH' . . . 30955 1 11 '3D hCONH' . . . 30955 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 4 4 PRO C C 13 176.800 0.00 . . . . . . A 4 PRO C . 30955 1 2 . 1 . 1 4 4 PRO CA C 13 61.293 0.04 . . . . . . A 4 PRO CA . 30955 1 3 . 1 . 1 4 4 PRO CB C 13 31.423 0.04 . . . . . . A 4 PRO CB . 30955 1 4 . 1 . 1 4 4 PRO CG C 13 27.278 0.05 . . . . . . A 4 PRO CG . 30955 1 5 . 1 . 1 4 4 PRO CD C 13 52.345 0.09 . . . . . . A 4 PRO CD . 30955 1 6 . 1 . 1 4 4 PRO N N 15 137.160 0.00 . . . . . . A 4 PRO N . 30955 1 7 . 1 . 1 5 5 GLN C C 13 177.359 0.00 . . . . . . A 5 GLN C . 30955 1 8 . 1 . 1 5 5 GLN CA C 13 54.824 0.08 . . . . . . A 5 GLN CA . 30955 1 9 . 1 . 1 5 5 GLN CB C 13 27.987 0.00 . . . . . . A 5 GLN CB . 30955 1 10 . 1 . 1 5 5 GLN CG C 13 35.449 0.01 . . . . . . A 5 GLN CG . 30955 1 11 . 1 . 1 5 5 GLN N N 15 129.488 0.04 . . . . . . A 5 GLN N . 30955 1 12 . 1 . 1 6 6 GLY C C 13 174.713 0.17 . . . . . . A 6 GLY C . 30955 1 13 . 1 . 1 6 6 GLY CA C 13 47.234 0.12 . . . . . . A 6 GLY CA . 30955 1 14 . 1 . 1 6 6 GLY N N 15 109.047 0.05 . . . . . . A 6 GLY N . 30955 1 15 . 1 . 1 7 7 LEU H H 1 8.221 0.00 . . . . . . A 7 LEU H . 30955 1 16 . 1 . 1 7 7 LEU C C 13 176.603 0.08 . . . . . . A 7 LEU C . 30955 1 17 . 1 . 1 7 7 LEU CA C 13 53.178 0.11 . . . . . . A 7 LEU CA . 30955 1 18 . 1 . 1 7 7 LEU CB C 13 41.173 0.11 . . . . . . A 7 LEU CB . 30955 1 19 . 1 . 1 7 7 LEU CG C 13 26.656 0.06 . . . . . . A 7 LEU CG . 30955 1 20 . 1 . 1 7 7 LEU CD1 C 13 24.622 0.01 . . . . . . A 7 LEU CD1 . 30955 1 21 . 1 . 1 7 7 LEU CD2 C 13 22.905 0.04 . . . . . . A 7 LEU CD2 . 30955 1 22 . 1 . 1 7 7 LEU N N 15 122.272 0.03 . . . . . . A 7 LEU N . 30955 1 23 . 1 . 1 8 8 PRO C C 13 179.036 0.04 . . . . . . A 8 PRO C . 30955 1 24 . 1 . 1 8 8 PRO CA C 13 62.874 0.03 . . . . . . A 8 PRO CA . 30955 1 25 . 1 . 1 8 8 PRO CB C 13 32.740 0.03 . . . . . . A 8 PRO CB . 30955 1 26 . 1 . 1 8 8 PRO CG C 13 26.275 0.08 . . . . . . A 8 PRO CG . 30955 1 27 . 1 . 1 8 8 PRO CD C 13 50.203 0.04 . . . . . . A 8 PRO CD . 30955 1 28 . 1 . 1 8 8 PRO N N 15 132.779 0.15 . . . . . . A 8 PRO N . 30955 1 29 . 1 . 1 9 9 ASN H H 1 8.329 0.00 . . . . . . A 9 ASN H . 30955 1 30 . 1 . 1 9 9 ASN C C 13 175.507 0.03 . . . . . . A 9 ASN C . 30955 1 31 . 1 . 1 9 9 ASN CA C 13 53.358 0.01 . . . . . . A 9 ASN CA . 30955 1 32 . 1 . 1 9 9 ASN CB C 13 39.037 0.06 . . . . . . A 9 ASN CB . 30955 1 33 . 1 . 1 9 9 ASN CG C 13 177.545 0.12 . . . . . . A 9 ASN CG . 30955 1 34 . 1 . 1 9 9 ASN N N 15 117.746 0.27 . . . . . . A 9 ASN N . 30955 1 35 . 1 . 1 10 10 ASN H H 1 8.247 0.00 . . . . . . A 10 ASN H . 30955 1 36 . 1 . 1 10 10 ASN C C 13 175.693 0.02 . . . . . . A 10 ASN C . 30955 1 37 . 1 . 1 10 10 ASN CA C 13 52.930 0.08 . . . . . . A 10 ASN CA . 30955 1 38 . 1 . 1 10 10 ASN CB C 13 38.715 0.12 . . . . . . A 10 ASN CB . 30955 1 39 . 1 . 1 10 10 ASN CG C 13 177.485 0.01 . . . . . . A 10 ASN CG . 30955 1 40 . 1 . 1 10 10 ASN N N 15 119.729 0.02 . . . . . . A 10 ASN N . 30955 1 41 . 1 . 1 11 11 THR H H 1 8.798 0.00 . . . . . . A 11 THR H . 30955 1 42 . 1 . 1 11 11 THR C C 13 175.217 0.02 . . . . . . A 11 THR C . 30955 1 43 . 1 . 1 11 11 THR CA C 13 61.035 0.03 . . . . . . A 11 THR CA . 30955 1 44 . 1 . 1 11 11 THR CB C 13 70.416 0.09 . . . . . . A 11 THR CB . 30955 1 45 . 1 . 1 11 11 THR CG2 C 13 22.135 0.09 . . . . . . A 11 THR CG2 . 30955 1 46 . 1 . 1 11 11 THR N N 15 118.834 0.04 . . . . . . A 11 THR N . 30955 1 47 . 1 . 1 12 12 ALA H H 1 8.377 0.00 . . . . . . A 12 ALA H . 30955 1 48 . 1 . 1 12 12 ALA C C 13 177.236 0.01 . . . . . . A 12 ALA C . 30955 1 49 . 1 . 1 12 12 ALA CA C 13 51.139 0.12 . . . . . . A 12 ALA CA . 30955 1 50 . 1 . 1 12 12 ALA CB C 13 20.978 0.11 . . . . . . A 12 ALA CB . 30955 1 51 . 1 . 1 12 12 ALA N N 15 127.538 0.15 . . . . . . A 12 ALA N . 30955 1 52 . 1 . 1 13 13 SER H H 1 8.140 0.00 . . . . . . A 13 SER H . 30955 1 53 . 1 . 1 13 13 SER C C 13 176.987 0.01 . . . . . . A 13 SER C . 30955 1 54 . 1 . 1 13 13 SER CA C 13 57.826 0.08 . . . . . . A 13 SER CA . 30955 1 55 . 1 . 1 13 13 SER CB C 13 63.542 0.09 . . . . . . A 13 SER CB . 30955 1 56 . 1 . 1 13 13 SER N N 15 113.161 0.10 . . . . . . A 13 SER N . 30955 1 57 . 1 . 1 14 14 TRP H H 1 10.343 0.00 . . . . . . A 14 TRP H . 30955 1 58 . 1 . 1 14 14 TRP HE1 H 1 9.900 0.00 . . . . . . A 14 TRP HE1 . 30955 1 59 . 1 . 1 14 14 TRP C C 13 174.249 0.01 . . . . . . A 14 TRP C . 30955 1 60 . 1 . 1 14 14 TRP CA C 13 61.256 0.10 . . . . . . A 14 TRP CA . 30955 1 61 . 1 . 1 14 14 TRP CB C 13 30.691 0.11 . . . . . . A 14 TRP CB . 30955 1 62 . 1 . 1 14 14 TRP CD1 C 13 125.483 0.08 . . . . . . A 14 TRP CD1 . 30955 1 63 . 1 . 1 14 14 TRP CE2 C 13 139.351 0.14 . . . . . . A 14 TRP CE2 . 30955 1 64 . 1 . 1 14 14 TRP CZ2 C 13 114.669 0.09 . . . . . . A 14 TRP CZ2 . 30955 1 65 . 1 . 1 14 14 TRP N N 15 127.512 0.19 . . . . . . A 14 TRP N . 30955 1 66 . 1 . 1 14 14 TRP NE1 N 15 127.012 0.06 . . . . . . A 14 TRP NE1 . 30955 1 67 . 1 . 1 15 15 PHE H H 1 7.957 0.00 . . . . . . A 15 PHE H . 30955 1 68 . 1 . 1 15 15 PHE C C 13 174.083 0.04 . . . . . . A 15 PHE C . 30955 1 69 . 1 . 1 15 15 PHE CA C 13 55.606 0.06 . . . . . . A 15 PHE CA . 30955 1 70 . 1 . 1 15 15 PHE CB C 13 43.211 0.06 . . . . . . A 15 PHE CB . 30955 1 71 . 1 . 1 15 15 PHE CG C 13 140.123 0.31 . . . . . . A 15 PHE CG . 30955 1 72 . 1 . 1 15 15 PHE CD1 C 13 132.780 0.00 . . . . . . A 15 PHE CD1 . 30955 1 73 . 1 . 1 15 15 PHE CD2 C 13 132.714 0.14 . . . . . . A 15 PHE CD2 . 30955 1 74 . 1 . 1 15 15 PHE CE1 C 13 131.849 0.11 . . . . . . A 15 PHE CE1 . 30955 1 75 . 1 . 1 15 15 PHE CE2 C 13 131.809 0.08 . . . . . . A 15 PHE CE2 . 30955 1 76 . 1 . 1 15 15 PHE CZ C 13 129.367 0.07 . . . . . . A 15 PHE CZ . 30955 1 77 . 1 . 1 15 15 PHE N N 15 113.768 0.01 . . . . . . A 15 PHE N . 30955 1 78 . 1 . 1 16 16 THR H H 1 8.076 0.00 . . . . . . A 16 THR H . 30955 1 79 . 1 . 1 16 16 THR C C 13 174.270 0.01 . . . . . . A 16 THR C . 30955 1 80 . 1 . 1 16 16 THR CA C 13 62.811 0.10 . . . . . . A 16 THR CA . 30955 1 81 . 1 . 1 16 16 THR CB C 13 69.977 0.15 . . . . . . A 16 THR CB . 30955 1 82 . 1 . 1 16 16 THR CG2 C 13 23.958 0.07 . . . . . . A 16 THR CG2 . 30955 1 83 . 1 . 1 16 16 THR N N 15 112.868 0.12 . . . . . . A 16 THR N . 30955 1 84 . 1 . 1 17 17 ALA H H 1 8.346 0.00 . . . . . . A 17 ALA H . 30955 1 85 . 1 . 1 17 17 ALA C C 13 177.910 0.03 . . . . . . A 17 ALA C . 30955 1 86 . 1 . 1 17 17 ALA CA C 13 51.853 0.08 . . . . . . A 17 ALA CA . 30955 1 87 . 1 . 1 17 17 ALA CB C 13 19.830 0.10 . . . . . . A 17 ALA CB . 30955 1 88 . 1 . 1 17 17 ALA N N 15 118.966 0.11 . . . . . . A 17 ALA N . 30955 1 89 . 1 . 1 18 18 LEU H H 1 8.557 0.00 . . . . . . A 18 LEU H . 30955 1 90 . 1 . 1 18 18 LEU C C 13 174.159 0.01 . . . . . . A 18 LEU C . 30955 1 91 . 1 . 1 18 18 LEU CA C 13 54.092 0.12 . . . . . . A 18 LEU CA . 30955 1 92 . 1 . 1 18 18 LEU CB C 13 45.011 0.09 . . . . . . A 18 LEU CB . 30955 1 93 . 1 . 1 18 18 LEU CG C 13 27.293 0.08 . . . . . . A 18 LEU CG . 30955 1 94 . 1 . 1 18 18 LEU CD1 C 13 25.986 0.10 . . . . . . A 18 LEU CD1 . 30955 1 95 . 1 . 1 18 18 LEU CD2 C 13 24.690 0.02 . . . . . . A 18 LEU CD2 . 30955 1 96 . 1 . 1 18 18 LEU N N 15 119.471 0.03 . . . . . . A 18 LEU N . 30955 1 97 . 1 . 1 19 19 THR H H 1 7.746 0.00 . . . . . . A 19 THR H . 30955 1 98 . 1 . 1 19 19 THR C C 13 174.600 0.03 . . . . . . A 19 THR C . 30955 1 99 . 1 . 1 19 19 THR CA C 13 63.732 0.08 . . . . . . A 19 THR CA . 30955 1 100 . 1 . 1 19 19 THR CB C 13 69.051 0.11 . . . . . . A 19 THR CB . 30955 1 101 . 1 . 1 19 19 THR CG2 C 13 22.577 0.09 . . . . . . A 19 THR CG2 . 30955 1 102 . 1 . 1 19 19 THR N N 15 117.532 0.05 . . . . . . A 19 THR N . 30955 1 103 . 1 . 1 20 20 GLN H H 1 8.802 0.00 . . . . . . A 20 GLN H . 30955 1 104 . 1 . 1 20 20 GLN HE21 H 1 6.884 0.00 . . . . . . A 20 GLN HE21 . 30955 1 105 . 1 . 1 20 20 GLN C C 13 174.027 0.08 . . . . . . A 20 GLN C . 30955 1 106 . 1 . 1 20 20 GLN CA C 13 53.884 0.09 . . . . . . A 20 GLN CA . 30955 1 107 . 1 . 1 20 20 GLN CB C 13 30.610 0.05 . . . . . . A 20 GLN CB . 30955 1 108 . 1 . 1 20 20 GLN CG C 13 32.294 0.10 . . . . . . A 20 GLN CG . 30955 1 109 . 1 . 1 20 20 GLN CD C 13 181.201 0.01 . . . . . . A 20 GLN CD . 30955 1 110 . 1 . 1 20 20 GLN N N 15 127.902 0.15 . . . . . . A 20 GLN N . 30955 1 111 . 1 . 1 20 20 GLN NE2 N 15 110.775 0.06 . . . . . . A 20 GLN NE2 . 30955 1 112 . 1 . 1 21 21 HIS H H 1 8.636 0.00 . . . . . . A 21 HIS H . 30955 1 113 . 1 . 1 21 21 HIS C C 13 175.721 0.02 . . . . . . A 21 HIS C . 30955 1 114 . 1 . 1 21 21 HIS CA C 13 57.202 0.20 . . . . . . A 21 HIS CA . 30955 1 115 . 1 . 1 21 21 HIS CB C 13 31.310 0.12 . . . . . . A 21 HIS CB . 30955 1 116 . 1 . 1 21 21 HIS CG C 13 126.541 0.19 . . . . . . A 21 HIS CG . 30955 1 117 . 1 . 1 21 21 HIS CD2 C 13 112.557 0.09 . . . . . . A 21 HIS CD2 . 30955 1 118 . 1 . 1 21 21 HIS CE1 C 13 138.546 0.00 . . . . . . A 21 HIS CE1 . 30955 1 119 . 1 . 1 21 21 HIS N N 15 124.556 0.07 . . . . . . A 21 HIS N . 30955 1 120 . 1 . 1 22 22 GLY H H 1 7.604 0.00 . . . . . . A 22 GLY H . 30955 1 121 . 1 . 1 22 22 GLY C C 13 174.526 0.02 . . . . . . A 22 GLY C . 30955 1 122 . 1 . 1 22 22 GLY CA C 13 44.428 0.01 . . . . . . A 22 GLY CA . 30955 1 123 . 1 . 1 22 22 GLY N N 15 108.109 0.06 . . . . . . A 22 GLY N . 30955 1 124 . 1 . 1 23 23 LYS H H 1 8.471 0.00 . . . . . . A 23 LYS H . 30955 1 125 . 1 . 1 23 23 LYS C C 13 177.547 0.02 . . . . . . A 23 LYS C . 30955 1 126 . 1 . 1 23 23 LYS CA C 13 56.725 0.06 . . . . . . A 23 LYS CA . 30955 1 127 . 1 . 1 23 23 LYS CB C 13 33.427 0.11 . . . . . . A 23 LYS CB . 30955 1 128 . 1 . 1 23 23 LYS CG C 13 25.011 0.02 . . . . . . A 23 LYS CG . 30955 1 129 . 1 . 1 23 23 LYS CD C 13 28.261 0.03 . . . . . . A 23 LYS CD . 30955 1 130 . 1 . 1 23 23 LYS CE C 13 43.040 0.03 . . . . . . A 23 LYS CE . 30955 1 131 . 1 . 1 23 23 LYS N N 15 117.881 0.16 . . . . . . A 23 LYS N . 30955 1 132 . 1 . 1 24 24 GLU H H 1 8.017 0.00 . . . . . . A 24 GLU H . 30955 1 133 . 1 . 1 24 24 GLU C C 13 175.701 0.02 . . . . . . A 24 GLU C . 30955 1 134 . 1 . 1 24 24 GLU CA C 13 56.128 0.05 . . . . . . A 24 GLU CA . 30955 1 135 . 1 . 1 24 24 GLU CB C 13 31.087 0.08 . . . . . . A 24 GLU CB . 30955 1 136 . 1 . 1 24 24 GLU CG C 13 36.665 0.07 . . . . . . A 24 GLU CG . 30955 1 137 . 1 . 1 24 24 GLU CD C 13 183.939 0.02 . . . . . . A 24 GLU CD . 30955 1 138 . 1 . 1 24 24 GLU N N 15 120.672 0.06 . . . . . . A 24 GLU N . 30955 1 139 . 1 . 1 25 25 ASP H H 1 8.268 0.00 . . . . . . A 25 ASP H . 30955 1 140 . 1 . 1 25 25 ASP C C 13 174.941 0.01 . . . . . . A 25 ASP C . 30955 1 141 . 1 . 1 25 25 ASP CA C 13 54.123 0.04 . . . . . . A 25 ASP CA . 30955 1 142 . 1 . 1 25 25 ASP CB C 13 41.812 0.03 . . . . . . A 25 ASP CB . 30955 1 143 . 1 . 1 25 25 ASP CG C 13 179.725 0.03 . . . . . . A 25 ASP CG . 30955 1 144 . 1 . 1 25 25 ASP N N 15 119.826 0.03 . . . . . . A 25 ASP N . 30955 1 145 . 1 . 1 26 26 LEU H H 1 5.892 0.00 . . . . . . A 26 LEU H . 30955 1 146 . 1 . 1 26 26 LEU C C 13 172.968 0.01 . . . . . . A 26 LEU C . 30955 1 147 . 1 . 1 26 26 LEU CA C 13 54.585 0.04 . . . . . . A 26 LEU CA . 30955 1 148 . 1 . 1 26 26 LEU CB C 13 39.019 0.06 . . . . . . A 26 LEU CB . 30955 1 149 . 1 . 1 26 26 LEU CG C 13 25.140 0.10 . . . . . . A 26 LEU CG . 30955 1 150 . 1 . 1 26 26 LEU CD1 C 13 19.373 0.10 . . . . . . A 26 LEU CD1 . 30955 1 151 . 1 . 1 26 26 LEU N N 15 119.510 0.02 . . . . . . A 26 LEU N . 30955 1 152 . 1 . 1 27 27 LYS H H 1 5.607 0.00 . . . . . . A 27 LYS H . 30955 1 153 . 1 . 1 27 27 LYS C C 13 174.012 0.00 . . . . . . A 27 LYS C . 30955 1 154 . 1 . 1 27 27 LYS CA C 13 55.194 0.06 . . . . . . A 27 LYS CA . 30955 1 155 . 1 . 1 27 27 LYS CB C 13 35.043 0.10 . . . . . . A 27 LYS CB . 30955 1 156 . 1 . 1 27 27 LYS CG C 13 23.287 0.14 . . . . . . A 27 LYS CG . 30955 1 157 . 1 . 1 27 27 LYS CD C 13 29.315 0.13 . . . . . . A 27 LYS CD . 30955 1 158 . 1 . 1 27 27 LYS CE C 13 41.759 0.00 . . . . . . A 27 LYS CE . 30955 1 159 . 1 . 1 27 27 LYS N N 15 117.844 0.02 . . . . . . A 27 LYS N . 30955 1 160 . 1 . 1 28 28 PHE H H 1 8.069 0.00 . . . . . . A 28 PHE H . 30955 1 161 . 1 . 1 28 28 PHE C C 13 174.162 0.03 . . . . . . A 28 PHE C . 30955 1 162 . 1 . 1 28 28 PHE CA C 13 55.921 0.07 . . . . . . A 28 PHE CA . 30955 1 163 . 1 . 1 28 28 PHE CB C 13 43.259 0.06 . . . . . . A 28 PHE CB . 30955 1 164 . 1 . 1 28 28 PHE CG C 13 140.675 0.06 . . . . . . A 28 PHE CG . 30955 1 165 . 1 . 1 28 28 PHE CD1 C 13 132.958 0.03 . . . . . . A 28 PHE CD1 . 30955 1 166 . 1 . 1 28 28 PHE CD2 C 13 132.982 0.06 . . . . . . A 28 PHE CD2 . 30955 1 167 . 1 . 1 28 28 PHE CE1 C 13 131.420 0.11 . . . . . . A 28 PHE CE1 . 30955 1 168 . 1 . 1 28 28 PHE CE2 C 13 131.466 0.12 . . . . . . A 28 PHE CE2 . 30955 1 169 . 1 . 1 28 28 PHE CZ C 13 128.411 0.01 . . . . . . A 28 PHE CZ . 30955 1 170 . 1 . 1 28 28 PHE N N 15 119.005 0.01 . . . . . . A 28 PHE N . 30955 1 171 . 1 . 1 29 29 PRO C C 13 174.341 0.01 . . . . . . A 29 PRO C . 30955 1 172 . 1 . 1 29 29 PRO CA C 13 62.293 0.11 . . . . . . A 29 PRO CA . 30955 1 173 . 1 . 1 29 29 PRO CB C 13 32.617 0.04 . . . . . . A 29 PRO CB . 30955 1 174 . 1 . 1 29 29 PRO CG C 13 27.970 0.03 . . . . . . A 29 PRO CG . 30955 1 175 . 1 . 1 29 29 PRO CD C 13 51.342 0.05 . . . . . . A 29 PRO CD . 30955 1 176 . 1 . 1 29 29 PRO N N 15 140.632 0.11 . . . . . . A 29 PRO N . 30955 1 177 . 1 . 1 30 30 ARG H H 1 8.461 0.00 . . . . . . A 30 ARG H . 30955 1 178 . 1 . 1 30 30 ARG C C 13 174.953 0.00 . . . . . . A 30 ARG C . 30955 1 179 . 1 . 1 30 30 ARG CA C 13 58.400 0.07 . . . . . . A 30 ARG CA . 30955 1 180 . 1 . 1 30 30 ARG CB C 13 29.805 0.03 . . . . . . A 30 ARG CB . 30955 1 181 . 1 . 1 30 30 ARG CG C 13 27.372 0.10 . . . . . . A 30 ARG CG . 30955 1 182 . 1 . 1 30 30 ARG CD C 13 44.564 0.02 . . . . . . A 30 ARG CD . 30955 1 183 . 1 . 1 30 30 ARG CZ C 13 159.654 0.02 . . . . . . A 30 ARG CZ . 30955 1 184 . 1 . 1 30 30 ARG N N 15 121.543 0.05 . . . . . . A 30 ARG N . 30955 1 185 . 1 . 1 30 30 ARG NE N 15 84.833 0.00 . . . . . . A 30 ARG NE . 30955 1 186 . 1 . 1 31 31 GLY C C 13 175.235 0.01 . . . . . . A 31 GLY C . 30955 1 187 . 1 . 1 31 31 GLY CA C 13 45.286 0.07 . . . . . . A 31 GLY CA . 30955 1 188 . 1 . 1 31 31 GLY N N 15 115.044 0.02 . . . . . . A 31 GLY N . 30955 1 189 . 1 . 1 32 32 GLN H H 1 8.148 0.00 . . . . . . A 32 GLN H . 30955 1 190 . 1 . 1 32 32 GLN C C 13 176.111 0.02 . . . . . . A 32 GLN C . 30955 1 191 . 1 . 1 32 32 GLN CA C 13 54.830 0.07 . . . . . . A 32 GLN CA . 30955 1 192 . 1 . 1 32 32 GLN CB C 13 32.463 0.10 . . . . . . A 32 GLN CB . 30955 1 193 . 1 . 1 32 32 GLN CG C 13 33.969 0.05 . . . . . . A 32 GLN CG . 30955 1 194 . 1 . 1 32 32 GLN CD C 13 176.635 0.01 . . . . . . A 32 GLN CD . 30955 1 195 . 1 . 1 32 32 GLN N N 15 119.641 0.27 . . . . . . A 32 GLN N . 30955 1 196 . 1 . 1 33 33 GLY H H 1 8.366 0.00 . . . . . . A 33 GLY H . 30955 1 197 . 1 . 1 33 33 GLY C C 13 172.613 0.03 . . . . . . A 33 GLY C . 30955 1 198 . 1 . 1 33 33 GLY CA C 13 43.440 0.04 . . . . . . A 33 GLY CA . 30955 1 199 . 1 . 1 33 33 GLY N N 15 102.557 0.07 . . . . . . A 33 GLY N . 30955 1 200 . 1 . 1 34 34 VAL H H 1 7.351 0.00 . . . . . . A 34 VAL H . 30955 1 201 . 1 . 1 34 34 VAL C C 13 173.976 0.06 . . . . . . A 34 VAL C . 30955 1 202 . 1 . 1 34 34 VAL CA C 13 60.318 0.09 . . . . . . A 34 VAL CA . 30955 1 203 . 1 . 1 34 34 VAL CB C 13 31.453 0.05 . . . . . . A 34 VAL CB . 30955 1 204 . 1 . 1 34 34 VAL CG1 C 13 21.273 0.10 . . . . . . A 34 VAL CG1 . 30955 1 205 . 1 . 1 34 34 VAL N N 15 123.071 0.06 . . . . . . A 34 VAL N . 30955 1 206 . 1 . 1 35 35 PRO C C 13 175.476 0.00 . . . . . . A 35 PRO C . 30955 1 207 . 1 . 1 35 35 PRO CA C 13 62.093 0.09 . . . . . . A 35 PRO CA . 30955 1 208 . 1 . 1 35 35 PRO CB C 13 32.668 0.02 . . . . . . A 35 PRO CB . 30955 1 209 . 1 . 1 35 35 PRO CG C 13 26.881 0.09 . . . . . . A 35 PRO CG . 30955 1 210 . 1 . 1 35 35 PRO CD C 13 49.144 0.06 . . . . . . A 35 PRO CD . 30955 1 211 . 1 . 1 35 35 PRO N N 15 140.461 0.18 . . . . . . A 35 PRO N . 30955 1 212 . 1 . 1 36 36 ILE H H 1 7.914 0.00 . . . . . . A 36 ILE H . 30955 1 213 . 1 . 1 36 36 ILE C C 13 177.634 0.04 . . . . . . A 36 ILE C . 30955 1 214 . 1 . 1 36 36 ILE CA C 13 62.417 0.06 . . . . . . A 36 ILE CA . 30955 1 215 . 1 . 1 36 36 ILE CB C 13 38.801 0.10 . . . . . . A 36 ILE CB . 30955 1 216 . 1 . 1 36 36 ILE CG1 C 13 27.902 0.08 . . . . . . A 36 ILE CG1 . 30955 1 217 . 1 . 1 36 36 ILE CG2 C 13 17.163 0.07 . . . . . . A 36 ILE CG2 . 30955 1 218 . 1 . 1 36 36 ILE CD1 C 13 13.732 0.10 . . . . . . A 36 ILE CD1 . 30955 1 219 . 1 . 1 36 36 ILE N N 15 119.195 0.17 . . . . . . A 36 ILE N . 30955 1 220 . 1 . 1 37 37 ASN H H 1 8.830 0.00 . . . . . . A 37 ASN H . 30955 1 221 . 1 . 1 37 37 ASN HD21 H 1 6.795 0.00 . . . . . . A 37 ASN HD21 . 30955 1 222 . 1 . 1 37 37 ASN C C 13 176.471 0.01 . . . . . . A 37 ASN C . 30955 1 223 . 1 . 1 37 37 ASN CA C 13 51.691 0.14 . . . . . . A 37 ASN CA . 30955 1 224 . 1 . 1 37 37 ASN CB C 13 39.018 0.06 . . . . . . A 37 ASN CB . 30955 1 225 . 1 . 1 37 37 ASN CG C 13 177.702 0.01 . . . . . . A 37 ASN CG . 30955 1 226 . 1 . 1 37 37 ASN N N 15 125.119 0.13 . . . . . . A 37 ASN N . 30955 1 227 . 1 . 1 37 37 ASN ND2 N 15 107.268 0.16 . . . . . . A 37 ASN ND2 . 30955 1 228 . 1 . 1 38 38 THR H H 1 9.416 0.00 . . . . . . A 38 THR H . 30955 1 229 . 1 . 1 38 38 THR C C 13 175.243 0.03 . . . . . . A 38 THR C . 30955 1 230 . 1 . 1 38 38 THR CA C 13 64.709 0.14 . . . . . . A 38 THR CA . 30955 1 231 . 1 . 1 38 38 THR CB C 13 68.609 0.08 . . . . . . A 38 THR CB . 30955 1 232 . 1 . 1 38 38 THR CG2 C 13 21.841 0.09 . . . . . . A 38 THR CG2 . 30955 1 233 . 1 . 1 38 38 THR N N 15 120.372 0.06 . . . . . . A 38 THR N . 30955 1 234 . 1 . 1 39 39 ASN H H 1 7.615 0.00 . . . . . . A 39 ASN H . 30955 1 235 . 1 . 1 39 39 ASN HD21 H 1 7.376 0.00 . . . . . . A 39 ASN HD21 . 30955 1 236 . 1 . 1 39 39 ASN C C 13 175.784 0.06 . . . . . . A 39 ASN C . 30955 1 237 . 1 . 1 39 39 ASN CA C 13 52.380 0.17 . . . . . . A 39 ASN CA . 30955 1 238 . 1 . 1 39 39 ASN CB C 13 38.175 0.08 . . . . . . A 39 ASN CB . 30955 1 239 . 1 . 1 39 39 ASN N N 15 119.113 0.19 . . . . . . A 39 ASN N . 30955 1 240 . 1 . 1 39 39 ASN ND2 N 15 113.732 0.10 . . . . . . A 39 ASN ND2 . 30955 1 241 . 1 . 1 40 40 SER H H 1 7.796 0.00 . . . . . . A 40 SER H . 30955 1 242 . 1 . 1 40 40 SER C C 13 172.942 0.07 . . . . . . A 40 SER C . 30955 1 243 . 1 . 1 40 40 SER CA C 13 57.853 0.09 . . . . . . A 40 SER CA . 30955 1 244 . 1 . 1 40 40 SER CB C 13 66.468 0.09 . . . . . . A 40 SER CB . 30955 1 245 . 1 . 1 40 40 SER N N 15 114.547 0.08 . . . . . . A 40 SER N . 30955 1 246 . 1 . 1 41 41 SER H H 1 9.652 0.00 . . . . . . A 41 SER H . 30955 1 247 . 1 . 1 41 41 SER C C 13 175.498 0.05 . . . . . . A 41 SER C . 30955 1 248 . 1 . 1 41 41 SER CA C 13 56.956 0.02 . . . . . . A 41 SER CA . 30955 1 249 . 1 . 1 41 41 SER CB C 13 64.610 0.13 . . . . . . A 41 SER CB . 30955 1 250 . 1 . 1 41 41 SER N N 15 118.999 0.10 . . . . . . A 41 SER N . 30955 1 251 . 1 . 1 42 42 PRO C C 13 178.860 0.06 . . . . . . A 42 PRO C . 30955 1 252 . 1 . 1 42 42 PRO CA C 13 66.649 0.15 . . . . . . A 42 PRO CA . 30955 1 253 . 1 . 1 42 42 PRO CB C 13 32.234 0.05 . . . . . . A 42 PRO CB . 30955 1 254 . 1 . 1 42 42 PRO CG C 13 28.229 0.07 . . . . . . A 42 PRO CG . 30955 1 255 . 1 . 1 42 42 PRO CD C 13 51.178 0.07 . . . . . . A 42 PRO CD . 30955 1 256 . 1 . 1 42 42 PRO N N 15 141.362 0.06 . . . . . . A 42 PRO N . 30955 1 257 . 1 . 1 43 43 ASP H H 1 8.242 0.00 . . . . . . A 43 ASP H . 30955 1 258 . 1 . 1 43 43 ASP C C 13 177.544 0.02 . . . . . . A 43 ASP C . 30955 1 259 . 1 . 1 43 43 ASP CA C 13 56.792 0.05 . . . . . . A 43 ASP CA . 30955 1 260 . 1 . 1 43 43 ASP CB C 13 41.592 0.08 . . . . . . A 43 ASP CB . 30955 1 261 . 1 . 1 43 43 ASP CG C 13 178.618 0.01 . . . . . . A 43 ASP CG . 30955 1 262 . 1 . 1 43 43 ASP N N 15 115.870 0.27 . . . . . . A 43 ASP N . 30955 1 263 . 1 . 1 44 44 ASP H H 1 8.106 0.00 . . . . . . A 44 ASP H . 30955 1 264 . 1 . 1 44 44 ASP C C 13 177.118 0.03 . . . . . . A 44 ASP C . 30955 1 265 . 1 . 1 44 44 ASP CA C 13 55.970 0.03 . . . . . . A 44 ASP CA . 30955 1 266 . 1 . 1 44 44 ASP CB C 13 43.074 0.05 . . . . . . A 44 ASP CB . 30955 1 267 . 1 . 1 44 44 ASP CG C 13 179.512 0.01 . . . . . . A 44 ASP CG . 30955 1 268 . 1 . 1 44 44 ASP N N 15 115.073 0.18 . . . . . . A 44 ASP N . 30955 1 269 . 1 . 1 45 45 GLN H H 1 6.903 0.00 . . . . . . A 45 GLN H . 30955 1 270 . 1 . 1 45 45 GLN C C 13 172.380 0.05 . . . . . . A 45 GLN C . 30955 1 271 . 1 . 1 45 45 GLN CA C 13 54.969 0.09 . . . . . . A 45 GLN CA . 30955 1 272 . 1 . 1 45 45 GLN CB C 13 26.327 0.03 . . . . . . A 45 GLN CB . 30955 1 273 . 1 . 1 45 45 GLN CG C 13 32.813 0.08 . . . . . . A 45 GLN CG . 30955 1 274 . 1 . 1 45 45 GLN CD C 13 180.705 0.07 . . . . . . A 45 GLN CD . 30955 1 275 . 1 . 1 45 45 GLN N N 15 113.783 0.21 . . . . . . A 45 GLN N . 30955 1 276 . 1 . 1 46 46 ILE H H 1 9.347 0.00 . . . . . . A 46 ILE H . 30955 1 277 . 1 . 1 46 46 ILE C C 13 175.069 0.01 . . . . . . A 46 ILE C . 30955 1 278 . 1 . 1 46 46 ILE CA C 13 59.916 0.07 . . . . . . A 46 ILE CA . 30955 1 279 . 1 . 1 46 46 ILE CB C 13 39.488 0.06 . . . . . . A 46 ILE CB . 30955 1 280 . 1 . 1 46 46 ILE CG1 C 13 29.118 0.09 . . . . . . A 46 ILE CG1 . 30955 1 281 . 1 . 1 46 46 ILE CG2 C 13 15.813 0.14 . . . . . . A 46 ILE CG2 . 30955 1 282 . 1 . 1 46 46 ILE CD1 C 13 13.315 0.08 . . . . . . A 46 ILE CD1 . 30955 1 283 . 1 . 1 46 46 ILE N N 15 122.947 0.10 . . . . . . A 46 ILE N . 30955 1 284 . 1 . 1 47 47 GLY H H 1 9.834 0.00 . . . . . . A 47 GLY H . 30955 1 285 . 1 . 1 47 47 GLY C C 13 168.983 0.04 . . . . . . A 47 GLY C . 30955 1 286 . 1 . 1 47 47 GLY CA C 13 47.569 0.10 . . . . . . A 47 GLY CA . 30955 1 287 . 1 . 1 47 47 GLY N N 15 113.703 0.03 . . . . . . A 47 GLY N . 30955 1 288 . 1 . 1 48 48 TYR H H 1 8.478 0.00 . . . . . . A 48 TYR H . 30955 1 289 . 1 . 1 48 48 TYR C C 13 177.375 0.02 . . . . . . A 48 TYR C . 30955 1 290 . 1 . 1 48 48 TYR CA C 13 54.020 0.12 . . . . . . A 48 TYR CA . 30955 1 291 . 1 . 1 48 48 TYR CB C 13 39.694 0.08 . . . . . . A 48 TYR CB . 30955 1 292 . 1 . 1 48 48 TYR CG C 13 132.952 0.11 . . . . . . A 48 TYR CG . 30955 1 293 . 1 . 1 48 48 TYR CD1 C 13 134.375 0.08 . . . . . . A 48 TYR CD1 . 30955 1 294 . 1 . 1 48 48 TYR CD2 C 13 134.417 0.04 . . . . . . A 48 TYR CD2 . 30955 1 295 . 1 . 1 48 48 TYR CE1 C 13 118.925 0.08 . . . . . . A 48 TYR CE1 . 30955 1 296 . 1 . 1 48 48 TYR CE2 C 13 118.863 0.13 . . . . . . A 48 TYR CE2 . 30955 1 297 . 1 . 1 48 48 TYR CZ C 13 156.036 0.08 . . . . . . A 48 TYR CZ . 30955 1 298 . 1 . 1 48 48 TYR N N 15 117.417 0.14 . . . . . . A 48 TYR N . 30955 1 299 . 1 . 1 49 49 TYR H H 1 9.030 0.00 . . . . . . A 49 TYR H . 30955 1 300 . 1 . 1 49 49 TYR C C 13 176.972 0.01 . . . . . . A 49 TYR C . 30955 1 301 . 1 . 1 49 49 TYR CA C 13 57.293 0.11 . . . . . . A 49 TYR CA . 30955 1 302 . 1 . 1 49 49 TYR CB C 13 43.048 0.07 . . . . . . A 49 TYR CB . 30955 1 303 . 1 . 1 49 49 TYR CG C 13 129.387 0.05 . . . . . . A 49 TYR CG . 30955 1 304 . 1 . 1 49 49 TYR CD1 C 13 131.971 0.07 . . . . . . A 49 TYR CD1 . 30955 1 305 . 1 . 1 49 49 TYR CD2 C 13 131.960 0.02 . . . . . . A 49 TYR CD2 . 30955 1 306 . 1 . 1 49 49 TYR CE1 C 13 118.495 0.11 . . . . . . A 49 TYR CE1 . 30955 1 307 . 1 . 1 49 49 TYR CE2 C 13 118.428 0.11 . . . . . . A 49 TYR CE2 . 30955 1 308 . 1 . 1 49 49 TYR CZ C 13 158.908 0.11 . . . . . . A 49 TYR CZ . 30955 1 309 . 1 . 1 49 49 TYR N N 15 115.398 0.18 . . . . . . A 49 TYR N . 30955 1 310 . 1 . 1 50 50 ARG H H 1 9.795 0.00 . . . . . . A 50 ARG H . 30955 1 311 . 1 . 1 50 50 ARG HE H 1 8.452 0.00 . . . . . . A 50 ARG HE . 30955 1 312 . 1 . 1 50 50 ARG C C 13 176.499 0.03 . . . . . . A 50 ARG C . 30955 1 313 . 1 . 1 50 50 ARG CA C 13 53.279 0.07 . . . . . . A 50 ARG CA . 30955 1 314 . 1 . 1 50 50 ARG CB C 13 35.090 0.09 . . . . . . A 50 ARG CB . 30955 1 315 . 1 . 1 50 50 ARG CG C 13 28.467 0.09 . . . . . . A 50 ARG CG . 30955 1 316 . 1 . 1 50 50 ARG CD C 13 44.605 0.09 . . . . . . A 50 ARG CD . 30955 1 317 . 1 . 1 50 50 ARG CZ C 13 159.932 0.07 . . . . . . A 50 ARG CZ . 30955 1 318 . 1 . 1 50 50 ARG N N 15 121.589 0.10 . . . . . . A 50 ARG N . 30955 1 319 . 1 . 1 50 50 ARG NE N 15 85.090 0.17 . . . . . . A 50 ARG NE . 30955 1 320 . 1 . 1 51 51 ARG H H 1 8.854 0.00 . . . . . . A 51 ARG H . 30955 1 321 . 1 . 1 51 51 ARG HE H 1 6.868 0.00 . . . . . . A 51 ARG HE . 30955 1 322 . 1 . 1 51 51 ARG C C 13 174.663 0.02 . . . . . . A 51 ARG C . 30955 1 323 . 1 . 1 51 51 ARG CA C 13 56.482 0.05 . . . . . . A 51 ARG CA . 30955 1 324 . 1 . 1 51 51 ARG CB C 13 29.943 0.12 . . . . . . A 51 ARG CB . 30955 1 325 . 1 . 1 51 51 ARG CG C 13 26.787 0.07 . . . . . . A 51 ARG CG . 30955 1 326 . 1 . 1 51 51 ARG CD C 13 44.042 0.00 . . . . . . A 51 ARG CD . 30955 1 327 . 1 . 1 51 51 ARG CZ C 13 159.827 0.06 . . . . . . A 51 ARG CZ . 30955 1 328 . 1 . 1 51 51 ARG N N 15 132.045 0.14 . . . . . . A 51 ARG N . 30955 1 329 . 1 . 1 51 51 ARG NE N 15 83.103 0.17 . . . . . . A 51 ARG NE . 30955 1 330 . 1 . 1 52 52 ALA H H 1 9.718 0.00 . . . . . . A 52 ALA H . 30955 1 331 . 1 . 1 52 52 ALA C C 13 177.561 0.05 . . . . . . A 52 ALA C . 30955 1 332 . 1 . 1 52 52 ALA CA C 13 51.389 0.05 . . . . . . A 52 ALA CA . 30955 1 333 . 1 . 1 52 52 ALA CB C 13 21.211 0.05 . . . . . . A 52 ALA CB . 30955 1 334 . 1 . 1 52 52 ALA N N 15 132.101 0.11 . . . . . . A 52 ALA N . 30955 1 335 . 1 . 1 53 53 THR H H 1 8.979 0.00 . . . . . . A 53 THR H . 30955 1 336 . 1 . 1 53 53 THR C C 13 174.050 0.08 . . . . . . A 53 THR C . 30955 1 337 . 1 . 1 53 53 THR CA C 13 61.377 0.05 . . . . . . A 53 THR CA . 30955 1 338 . 1 . 1 53 53 THR CB C 13 70.150 0.03 . . . . . . A 53 THR CB . 30955 1 339 . 1 . 1 53 53 THR CG2 C 13 21.858 0.15 . . . . . . A 53 THR CG2 . 30955 1 340 . 1 . 1 53 53 THR N N 15 127.344 0.06 . . . . . . A 53 THR N . 30955 1 341 . 1 . 1 54 54 ARG H H 1 8.998 0.00 . . . . . . A 54 ARG H . 30955 1 342 . 1 . 1 54 54 ARG C C 13 174.674 0.04 . . . . . . A 54 ARG C . 30955 1 343 . 1 . 1 54 54 ARG CA C 13 54.717 0.02 . . . . . . A 54 ARG CA . 30955 1 344 . 1 . 1 54 54 ARG CB C 13 34.400 0.04 . . . . . . A 54 ARG CB . 30955 1 345 . 1 . 1 54 54 ARG CG C 13 27.379 0.03 . . . . . . A 54 ARG CG . 30955 1 346 . 1 . 1 54 54 ARG N N 15 119.845 0.04 . . . . . . A 54 ARG N . 30955 1 347 . 1 . 1 55 55 ARG H H 1 8.357 0.00 . . . . . . A 55 ARG H . 30955 1 348 . 1 . 1 55 55 ARG C C 13 177.608 0.03 . . . . . . A 55 ARG C . 30955 1 349 . 1 . 1 55 55 ARG CA C 13 55.258 0.04 . . . . . . A 55 ARG CA . 30955 1 350 . 1 . 1 55 55 ARG CB C 13 32.554 0.01 . . . . . . A 55 ARG CB . 30955 1 351 . 1 . 1 55 55 ARG CG C 13 27.066 0.02 . . . . . . A 55 ARG CG . 30955 1 352 . 1 . 1 55 55 ARG CD C 13 43.696 0.06 . . . . . . A 55 ARG CD . 30955 1 353 . 1 . 1 55 55 ARG CZ C 13 159.695 0.05 . . . . . . A 55 ARG CZ . 30955 1 354 . 1 . 1 55 55 ARG N N 15 123.209 0.11 . . . . . . A 55 ARG N . 30955 1 355 . 1 . 1 56 56 ILE H H 1 9.117 0.00 . . . . . . A 56 ILE H . 30955 1 356 . 1 . 1 56 56 ILE C C 13 174.994 0.06 . . . . . . A 56 ILE C . 30955 1 357 . 1 . 1 56 56 ILE CA C 13 60.126 0.05 . . . . . . A 56 ILE CA . 30955 1 358 . 1 . 1 56 56 ILE CB C 13 39.635 0.08 . . . . . . A 56 ILE CB . 30955 1 359 . 1 . 1 56 56 ILE CG1 C 13 29.105 0.02 . . . . . . A 56 ILE CG1 . 30955 1 360 . 1 . 1 56 56 ILE CG2 C 13 16.039 0.14 . . . . . . A 56 ILE CG2 . 30955 1 361 . 1 . 1 56 56 ILE CD1 C 13 14.126 0.05 . . . . . . A 56 ILE CD1 . 30955 1 362 . 1 . 1 56 56 ILE N N 15 123.500 0.05 . . . . . . A 56 ILE N . 30955 1 363 . 1 . 1 57 57 ARG H H 1 8.437 0.00 . . . . . . A 57 ARG H . 30955 1 364 . 1 . 1 57 57 ARG C C 13 177.330 0.07 . . . . . . A 57 ARG C . 30955 1 365 . 1 . 1 57 57 ARG CA C 13 57.073 0.00 . . . . . . A 57 ARG CA . 30955 1 366 . 1 . 1 57 57 ARG CB C 13 30.835 0.08 . . . . . . A 57 ARG CB . 30955 1 367 . 1 . 1 57 57 ARG CG C 13 27.652 0.02 . . . . . . A 57 ARG CG . 30955 1 368 . 1 . 1 57 57 ARG CD C 13 43.303 0.05 . . . . . . A 57 ARG CD . 30955 1 369 . 1 . 1 57 57 ARG CZ C 13 159.666 0.00 . . . . . . A 57 ARG CZ . 30955 1 370 . 1 . 1 57 57 ARG N N 15 125.580 0.11 . . . . . . A 57 ARG N . 30955 1 371 . 1 . 1 58 58 GLY H H 1 8.707 0.00 . . . . . . A 58 GLY H . 30955 1 372 . 1 . 1 58 58 GLY C C 13 176.317 0.07 . . . . . . A 58 GLY C . 30955 1 373 . 1 . 1 58 58 GLY CA C 13 44.564 0.05 . . . . . . A 58 GLY CA . 30955 1 374 . 1 . 1 58 58 GLY N N 15 113.048 0.01 . . . . . . A 58 GLY N . 30955 1 375 . 1 . 1 59 59 GLY H H 1 8.953 0.00 . . . . . . A 59 GLY H . 30955 1 376 . 1 . 1 59 59 GLY C C 13 174.233 0.06 . . . . . . A 59 GLY C . 30955 1 377 . 1 . 1 59 59 GLY CA C 13 45.707 0.14 . . . . . . A 59 GLY CA . 30955 1 378 . 1 . 1 59 59 GLY N N 15 108.607 0.13 . . . . . . A 59 GLY N . 30955 1 379 . 1 . 1 60 60 ASP H H 1 8.242 0.00 . . . . . . A 60 ASP H . 30955 1 380 . 1 . 1 60 60 ASP C C 13 174.255 0.04 . . . . . . A 60 ASP C . 30955 1 381 . 1 . 1 60 60 ASP CA C 13 53.027 0.08 . . . . . . A 60 ASP CA . 30955 1 382 . 1 . 1 60 60 ASP CB C 13 40.439 0.16 . . . . . . A 60 ASP CB . 30955 1 383 . 1 . 1 60 60 ASP CG C 13 180.428 0.10 . . . . . . A 60 ASP CG . 30955 1 384 . 1 . 1 60 60 ASP N N 15 117.264 0.13 . . . . . . A 60 ASP N . 30955 1 385 . 1 . 1 61 61 GLY H H 1 8.306 0.00 . . . . . . A 61 GLY H . 30955 1 386 . 1 . 1 61 61 GLY C C 13 174.275 0.13 . . . . . . A 61 GLY C . 30955 1 387 . 1 . 1 61 61 GLY CA C 13 45.197 0.04 . . . . . . A 61 GLY CA . 30955 1 388 . 1 . 1 61 61 GLY N N 15 107.739 0.19 . . . . . . A 61 GLY N . 30955 1 389 . 1 . 1 62 62 LYS H H 1 7.805 0.00 . . . . . . A 62 LYS H . 30955 1 390 . 1 . 1 62 62 LYS C C 13 175.482 0.03 . . . . . . A 62 LYS C . 30955 1 391 . 1 . 1 62 62 LYS CA C 13 54.581 0.03 . . . . . . A 62 LYS CA . 30955 1 392 . 1 . 1 62 62 LYS CB C 13 32.681 0.02 . . . . . . A 62 LYS CB . 30955 1 393 . 1 . 1 62 62 LYS CG C 13 25.238 0.02 . . . . . . A 62 LYS CG . 30955 1 394 . 1 . 1 62 62 LYS CD C 13 28.050 0.01 . . . . . . A 62 LYS CD . 30955 1 395 . 1 . 1 62 62 LYS N N 15 121.037 0.15 . . . . . . A 62 LYS N . 30955 1 396 . 1 . 1 63 63 MET H H 1 8.643 0.00 . . . . . . A 63 MET H . 30955 1 397 . 1 . 1 63 63 MET C C 13 177.572 0.03 . . . . . . A 63 MET C . 30955 1 398 . 1 . 1 63 63 MET CA C 13 54.780 0.02 . . . . . . A 63 MET CA . 30955 1 399 . 1 . 1 63 63 MET CB C 13 32.468 0.02 . . . . . . A 63 MET CB . 30955 1 400 . 1 . 1 63 63 MET CG C 13 31.171 0.00 . . . . . . A 63 MET CG . 30955 1 401 . 1 . 1 63 63 MET N N 15 120.337 0.05 . . . . . . A 63 MET N . 30955 1 402 . 1 . 1 64 64 LYS H H 1 8.906 0.00 . . . . . . A 64 LYS H . 30955 1 403 . 1 . 1 64 64 LYS C C 13 174.937 0.01 . . . . . . A 64 LYS C . 30955 1 404 . 1 . 1 64 64 LYS CA C 13 58.395 0.05 . . . . . . A 64 LYS CA . 30955 1 405 . 1 . 1 64 64 LYS CB C 13 32.402 0.02 . . . . . . A 64 LYS CB . 30955 1 406 . 1 . 1 64 64 LYS CG C 13 30.584 0.08 . . . . . . A 64 LYS CG . 30955 1 407 . 1 . 1 64 64 LYS N N 15 123.588 0.09 . . . . . . A 64 LYS N . 30955 1 408 . 1 . 1 65 65 ASP H H 1 8.459 0.00 . . . . . . A 65 ASP H . 30955 1 409 . 1 . 1 65 65 ASP C C 13 175.122 0.14 . . . . . . A 65 ASP C . 30955 1 410 . 1 . 1 65 65 ASP CA C 13 54.273 0.03 . . . . . . A 65 ASP CA . 30955 1 411 . 1 . 1 65 65 ASP CB C 13 41.722 0.05 . . . . . . A 65 ASP CB . 30955 1 412 . 1 . 1 65 65 ASP CG C 13 179.003 0.02 . . . . . . A 65 ASP CG . 30955 1 413 . 1 . 1 65 65 ASP N N 15 121.317 0.01 . . . . . . A 65 ASP N . 30955 1 414 . 1 . 1 66 66 LEU H H 1 8.356 0.00 . . . . . . A 66 LEU H . 30955 1 415 . 1 . 1 66 66 LEU C C 13 175.154 0.08 . . . . . . A 66 LEU C . 30955 1 416 . 1 . 1 66 66 LEU CA C 13 53.767 0.06 . . . . . . A 66 LEU CA . 30955 1 417 . 1 . 1 66 66 LEU CB C 13 42.109 0.03 . . . . . . A 66 LEU CB . 30955 1 418 . 1 . 1 66 66 LEU N N 15 122.413 0.07 . . . . . . A 66 LEU N . 30955 1 419 . 1 . 1 67 67 SER H H 1 8.550 0.00 . . . . . . A 67 SER H . 30955 1 420 . 1 . 1 67 67 SER C C 13 173.510 0.04 . . . . . . A 67 SER C . 30955 1 421 . 1 . 1 67 67 SER CA C 13 58.627 0.11 . . . . . . A 67 SER CA . 30955 1 422 . 1 . 1 67 67 SER CB C 13 62.602 0.02 . . . . . . A 67 SER CB . 30955 1 423 . 1 . 1 67 67 SER N N 15 119.637 0.03 . . . . . . A 67 SER N . 30955 1 424 . 1 . 1 68 68 PRO C C 13 174.972 0.04 . . . . . . A 68 PRO C . 30955 1 425 . 1 . 1 68 68 PRO CA C 13 63.462 0.08 . . . . . . A 68 PRO CA . 30955 1 426 . 1 . 1 68 68 PRO CB C 13 33.194 0.02 . . . . . . A 68 PRO CB . 30955 1 427 . 1 . 1 68 68 PRO CG C 13 27.667 0.06 . . . . . . A 68 PRO CG . 30955 1 428 . 1 . 1 68 68 PRO CD C 13 51.387 0.08 . . . . . . A 68 PRO CD . 30955 1 429 . 1 . 1 68 68 PRO N N 15 135.743 0.02 . . . . . . A 68 PRO N . 30955 1 430 . 1 . 1 69 69 ARG H H 1 8.187 0.00 . . . . . . A 69 ARG H . 30955 1 431 . 1 . 1 69 69 ARG C C 13 174.803 0.01 . . . . . . A 69 ARG C . 30955 1 432 . 1 . 1 69 69 ARG CA C 13 54.669 0.05 . . . . . . A 69 ARG CA . 30955 1 433 . 1 . 1 69 69 ARG CB C 13 34.257 0.04 . . . . . . A 69 ARG CB . 30955 1 434 . 1 . 1 69 69 ARG CG C 13 28.622 0.07 . . . . . . A 69 ARG CG . 30955 1 435 . 1 . 1 69 69 ARG CD C 13 44.530 0.10 . . . . . . A 69 ARG CD . 30955 1 436 . 1 . 1 69 69 ARG CZ C 13 159.905 0.00 . . . . . . A 69 ARG CZ . 30955 1 437 . 1 . 1 69 69 ARG N N 15 120.413 0.06 . . . . . . A 69 ARG N . 30955 1 438 . 1 . 1 70 70 TRP H H 1 9.242 0.00 . . . . . . A 70 TRP H . 30955 1 439 . 1 . 1 70 70 TRP HE1 H 1 11.252 0.00 . . . . . . A 70 TRP HE1 . 30955 1 440 . 1 . 1 70 70 TRP C C 13 175.418 0.01 . . . . . . A 70 TRP C . 30955 1 441 . 1 . 1 70 70 TRP CA C 13 56.012 0.06 . . . . . . A 70 TRP CA . 30955 1 442 . 1 . 1 70 70 TRP CB C 13 31.172 0.06 . . . . . . A 70 TRP CB . 30955 1 443 . 1 . 1 70 70 TRP CG C 13 112.827 0.09 . . . . . . A 70 TRP CG . 30955 1 444 . 1 . 1 70 70 TRP CD1 C 13 125.775 0.09 . . . . . . A 70 TRP CD1 . 30955 1 445 . 1 . 1 70 70 TRP CE2 C 13 139.031 0.06 . . . . . . A 70 TRP CE2 . 30955 1 446 . 1 . 1 70 70 TRP CE3 C 13 123.317 0.00 . . . . . . A 70 TRP CE3 . 30955 1 447 . 1 . 1 70 70 TRP CZ2 C 13 113.358 0.07 . . . . . . A 70 TRP CZ2 . 30955 1 448 . 1 . 1 70 70 TRP CZ3 C 13 121.212 0.12 . . . . . . A 70 TRP CZ3 . 30955 1 449 . 1 . 1 70 70 TRP CH2 C 13 124.221 0.17 . . . . . . A 70 TRP CH2 . 30955 1 450 . 1 . 1 70 70 TRP N N 15 121.506 0.05 . . . . . . A 70 TRP N . 30955 1 451 . 1 . 1 70 70 TRP NE1 N 15 129.814 0.14 . . . . . . A 70 TRP NE1 . 30955 1 452 . 1 . 1 71 71 TYR H H 1 8.081 0.00 . . . . . . A 71 TYR H . 30955 1 453 . 1 . 1 71 71 TYR C C 13 177.539 0.01 . . . . . . A 71 TYR C . 30955 1 454 . 1 . 1 71 71 TYR CA C 13 56.463 0.04 . . . . . . A 71 TYR CA . 30955 1 455 . 1 . 1 71 71 TYR CB C 13 43.356 0.08 . . . . . . A 71 TYR CB . 30955 1 456 . 1 . 1 71 71 TYR CD1 C 13 133.612 0.00 . . . . . . A 71 TYR CD1 . 30955 1 457 . 1 . 1 71 71 TYR CD2 C 13 133.604 0.05 . . . . . . A 71 TYR CD2 . 30955 1 458 . 1 . 1 71 71 TYR CE1 C 13 118.855 0.10 . . . . . . A 71 TYR CE1 . 30955 1 459 . 1 . 1 71 71 TYR CE2 C 13 118.845 0.04 . . . . . . A 71 TYR CE2 . 30955 1 460 . 1 . 1 71 71 TYR CZ C 13 159.414 0.05 . . . . . . A 71 TYR CZ . 30955 1 461 . 1 . 1 71 71 TYR N N 15 120.579 0.05 . . . . . . A 71 TYR N . 30955 1 462 . 1 . 1 72 72 PHE H H 1 9.415 0.00 . . . . . . A 72 PHE H . 30955 1 463 . 1 . 1 72 72 PHE C C 13 175.051 0.02 . . . . . . A 72 PHE C . 30955 1 464 . 1 . 1 72 72 PHE CA C 13 57.018 0.08 . . . . . . A 72 PHE CA . 30955 1 465 . 1 . 1 72 72 PHE CB C 13 39.711 0.09 . . . . . . A 72 PHE CB . 30955 1 466 . 1 . 1 72 72 PHE CG C 13 138.503 0.11 . . . . . . A 72 PHE CG . 30955 1 467 . 1 . 1 72 72 PHE CD1 C 13 131.843 0.04 . . . . . . A 72 PHE CD1 . 30955 1 468 . 1 . 1 72 72 PHE CD2 C 13 131.845 0.02 . . . . . . A 72 PHE CD2 . 30955 1 469 . 1 . 1 72 72 PHE CE1 C 13 130.211 0.10 . . . . . . A 72 PHE CE1 . 30955 1 470 . 1 . 1 72 72 PHE CE2 C 13 130.200 0.04 . . . . . . A 72 PHE CE2 . 30955 1 471 . 1 . 1 72 72 PHE CZ C 13 128.060 0.12 . . . . . . A 72 PHE CZ . 30955 1 472 . 1 . 1 72 72 PHE N N 15 121.630 0.15 . . . . . . A 72 PHE N . 30955 1 473 . 1 . 1 73 73 TYR H H 1 8.348 0.00 . . . . . . A 73 TYR H . 30955 1 474 . 1 . 1 73 73 TYR C C 13 172.270 0.03 . . . . . . A 73 TYR C . 30955 1 475 . 1 . 1 73 73 TYR CA C 13 57.060 0.05 . . . . . . A 73 TYR CA . 30955 1 476 . 1 . 1 73 73 TYR CB C 13 39.422 0.11 . . . . . . A 73 TYR CB . 30955 1 477 . 1 . 1 73 73 TYR CD2 C 13 132.758 0.08 . . . . . . A 73 TYR CD2 . 30955 1 478 . 1 . 1 73 73 TYR CE2 C 13 118.645 0.09 . . . . . . A 73 TYR CE2 . 30955 1 479 . 1 . 1 73 73 TYR CZ C 13 157.898 0.11 . . . . . . A 73 TYR CZ . 30955 1 480 . 1 . 1 73 73 TYR N N 15 128.498 0.14 . . . . . . A 73 TYR N . 30955 1 481 . 1 . 1 74 74 TYR H H 1 7.232 0.00 . . . . . . A 74 TYR H . 30955 1 482 . 1 . 1 74 74 TYR C C 13 177.239 0.02 . . . . . . A 74 TYR C . 30955 1 483 . 1 . 1 74 74 TYR CA C 13 60.083 0.06 . . . . . . A 74 TYR CA . 30955 1 484 . 1 . 1 74 74 TYR CB C 13 39.572 0.01 . . . . . . A 74 TYR CB . 30955 1 485 . 1 . 1 74 74 TYR CG C 13 133.852 0.04 . . . . . . A 74 TYR CG . 30955 1 486 . 1 . 1 74 74 TYR CD1 C 13 134.819 0.12 . . . . . . A 74 TYR CD1 . 30955 1 487 . 1 . 1 74 74 TYR CD2 C 13 134.777 0.15 . . . . . . A 74 TYR CD2 . 30955 1 488 . 1 . 1 74 74 TYR CE1 C 13 118.458 0.11 . . . . . . A 74 TYR CE1 . 30955 1 489 . 1 . 1 74 74 TYR CE2 C 13 118.458 0.04 . . . . . . A 74 TYR CE2 . 30955 1 490 . 1 . 1 74 74 TYR CZ C 13 159.612 0.08 . . . . . . A 74 TYR CZ . 30955 1 491 . 1 . 1 74 74 TYR N N 15 116.601 0.21 . . . . . . A 74 TYR N . 30955 1 492 . 1 . 1 75 75 LEU H H 1 9.041 0.00 . . . . . . A 75 LEU H . 30955 1 493 . 1 . 1 75 75 LEU C C 13 176.881 0.01 . . . . . . A 75 LEU C . 30955 1 494 . 1 . 1 75 75 LEU CA C 13 57.147 0.06 . . . . . . A 75 LEU CA . 30955 1 495 . 1 . 1 75 75 LEU CB C 13 45.557 0.07 . . . . . . A 75 LEU CB . 30955 1 496 . 1 . 1 75 75 LEU CG C 13 27.655 0.06 . . . . . . A 75 LEU CG . 30955 1 497 . 1 . 1 75 75 LEU CD1 C 13 25.330 0.08 . . . . . . A 75 LEU CD1 . 30955 1 498 . 1 . 1 75 75 LEU N N 15 124.950 0.11 . . . . . . A 75 LEU N . 30955 1 499 . 1 . 1 76 76 GLY H H 1 10.162 0.00 . . . . . . A 76 GLY H . 30955 1 500 . 1 . 1 76 76 GLY C C 13 173.691 0.03 . . . . . . A 76 GLY C . 30955 1 501 . 1 . 1 76 76 GLY CA C 13 46.389 0.04 . . . . . . A 76 GLY CA . 30955 1 502 . 1 . 1 76 76 GLY N N 15 115.040 0.08 . . . . . . A 76 GLY N . 30955 1 503 . 1 . 1 77 77 THR H H 1 8.246 0.00 . . . . . . A 77 THR H . 30955 1 504 . 1 . 1 77 77 THR C C 13 174.961 0.01 . . . . . . A 77 THR C . 30955 1 505 . 1 . 1 77 77 THR CA C 13 59.547 0.05 . . . . . . A 77 THR CA . 30955 1 506 . 1 . 1 77 77 THR CB C 13 73.658 0.15 . . . . . . A 77 THR CB . 30955 1 507 . 1 . 1 77 77 THR CG2 C 13 21.828 0.08 . . . . . . A 77 THR CG2 . 30955 1 508 . 1 . 1 77 77 THR N N 15 108.842 0.14 . . . . . . A 77 THR N . 30955 1 509 . 1 . 1 78 78 GLY H H 1 9.214 0.00 . . . . . . A 78 GLY H . 30955 1 510 . 1 . 1 78 78 GLY C C 13 172.512 0.03 . . . . . . A 78 GLY C . 30955 1 511 . 1 . 1 78 78 GLY CA C 13 46.044 0.06 . . . . . . A 78 GLY CA . 30955 1 512 . 1 . 1 78 78 GLY N N 15 107.461 0.21 . . . . . . A 78 GLY N . 30955 1 513 . 1 . 1 79 79 PRO C C 13 175.485 0.03 . . . . . . A 79 PRO C . 30955 1 514 . 1 . 1 79 79 PRO CA C 13 64.562 0.06 . . . . . . A 79 PRO CA . 30955 1 515 . 1 . 1 79 79 PRO CB C 13 32.441 0.06 . . . . . . A 79 PRO CB . 30955 1 516 . 1 . 1 79 79 PRO CG C 13 28.035 0.04 . . . . . . A 79 PRO CG . 30955 1 517 . 1 . 1 79 79 PRO CD C 13 48.613 0.18 . . . . . . A 79 PRO CD . 30955 1 518 . 1 . 1 79 79 PRO N N 15 140.628 0.09 . . . . . . A 79 PRO N . 30955 1 519 . 1 . 1 80 80 GLU H H 1 7.542 0.00 . . . . . . A 80 GLU H . 30955 1 520 . 1 . 1 80 80 GLU C C 13 177.194 0.01 . . . . . . A 80 GLU C . 30955 1 521 . 1 . 1 80 80 GLU CA C 13 52.737 0.02 . . . . . . A 80 GLU CA . 30955 1 522 . 1 . 1 80 80 GLU CB C 13 26.045 0.06 . . . . . . A 80 GLU CB . 30955 1 523 . 1 . 1 80 80 GLU CG C 13 33.648 0.08 . . . . . . A 80 GLU CG . 30955 1 524 . 1 . 1 80 80 GLU CD C 13 181.882 0.02 . . . . . . A 80 GLU CD . 30955 1 525 . 1 . 1 80 80 GLU N N 15 113.327 0.28 . . . . . . A 80 GLU N . 30955 1 526 . 1 . 1 81 81 ALA H H 1 7.332 0.00 . . . . . . A 81 ALA H . 30955 1 527 . 1 . 1 81 81 ALA C C 13 177.248 0.04 . . . . . . A 81 ALA C . 30955 1 528 . 1 . 1 81 81 ALA CA C 13 55.376 0.06 . . . . . . A 81 ALA CA . 30955 1 529 . 1 . 1 81 81 ALA CB C 13 18.524 0.14 . . . . . . A 81 ALA CB . 30955 1 530 . 1 . 1 81 81 ALA N N 15 125.662 0.16 . . . . . . A 81 ALA N . 30955 1 531 . 1 . 1 82 82 GLY H H 1 7.708 0.00 . . . . . . A 82 GLY H . 30955 1 532 . 1 . 1 82 82 GLY C C 13 173.607 0.00 . . . . . . A 82 GLY C . 30955 1 533 . 1 . 1 82 82 GLY CA C 13 45.621 0.05 . . . . . . A 82 GLY CA . 30955 1 534 . 1 . 1 82 82 GLY N N 15 99.002 0.06 . . . . . . A 82 GLY N . 30955 1 535 . 1 . 1 83 83 LEU H H 1 7.543 0.00 . . . . . . A 83 LEU H . 30955 1 536 . 1 . 1 83 83 LEU C C 13 177.209 0.00 . . . . . . A 83 LEU C . 30955 1 537 . 1 . 1 83 83 LEU CA C 13 52.293 0.04 . . . . . . A 83 LEU CA . 30955 1 538 . 1 . 1 83 83 LEU CB C 13 43.219 0.13 . . . . . . A 83 LEU CB . 30955 1 539 . 1 . 1 83 83 LEU CG C 13 26.372 0.04 . . . . . . A 83 LEU CG . 30955 1 540 . 1 . 1 83 83 LEU N N 15 122.906 0.08 . . . . . . A 83 LEU N . 30955 1 541 . 1 . 1 84 84 PRO CA C 13 61.249 0.09 . . . . . . A 84 PRO CA . 30955 1 542 . 1 . 1 84 84 PRO CD C 13 50.101 0.05 . . . . . . A 84 PRO CD . 30955 1 543 . 1 . 1 85 85 TYR H H 1 8.526 0.00 . . . . . . A 85 TYR H . 30955 1 544 . 1 . 1 85 85 TYR C C 13 177.341 0.06 . . . . . . A 85 TYR C . 30955 1 545 . 1 . 1 85 85 TYR CA C 13 59.462 0.08 . . . . . . A 85 TYR CA . 30955 1 546 . 1 . 1 85 85 TYR CB C 13 38.378 0.15 . . . . . . A 85 TYR CB . 30955 1 547 . 1 . 1 85 85 TYR CG C 13 133.294 0.02 . . . . . . A 85 TYR CG . 30955 1 548 . 1 . 1 85 85 TYR N N 15 119.585 0.07 . . . . . . A 85 TYR N . 30955 1 549 . 1 . 1 86 86 GLY H H 1 3.008 0.00 . . . . . . A 86 GLY H . 30955 1 550 . 1 . 1 86 86 GLY C C 13 174.132 0.02 . . . . . . A 86 GLY C . 30955 1 551 . 1 . 1 86 86 GLY CA C 13 44.313 0.06 . . . . . . A 86 GLY CA . 30955 1 552 . 1 . 1 86 86 GLY N N 15 112.327 0.05 . . . . . . A 86 GLY N . 30955 1 553 . 1 . 1 87 87 ALA H H 1 7.372 0.00 . . . . . . A 87 ALA H . 30955 1 554 . 1 . 1 87 87 ALA C C 13 178.254 0.00 . . . . . . A 87 ALA C . 30955 1 555 . 1 . 1 87 87 ALA CA C 13 53.154 0.13 . . . . . . A 87 ALA CA . 30955 1 556 . 1 . 1 87 87 ALA CB C 13 19.915 0.09 . . . . . . A 87 ALA CB . 30955 1 557 . 1 . 1 87 87 ALA N N 15 123.822 0.08 . . . . . . A 87 ALA N . 30955 1 558 . 1 . 1 88 88 ASN H H 1 8.746 0.00 . . . . . . A 88 ASN H . 30955 1 559 . 1 . 1 88 88 ASN HD21 H 1 7.008 0.00 . . . . . . A 88 ASN HD21 . 30955 1 560 . 1 . 1 88 88 ASN C C 13 175.014 0.00 . . . . . . A 88 ASN C . 30955 1 561 . 1 . 1 88 88 ASN CA C 13 53.678 0.05 . . . . . . A 88 ASN CA . 30955 1 562 . 1 . 1 88 88 ASN CB C 13 39.386 0.04 . . . . . . A 88 ASN CB . 30955 1 563 . 1 . 1 88 88 ASN CG C 13 177.033 0.00 . . . . . . A 88 ASN CG . 30955 1 564 . 1 . 1 88 88 ASN N N 15 122.234 0.11 . . . . . . A 88 ASN N . 30955 1 565 . 1 . 1 88 88 ASN ND2 N 15 113.073 0.05 . . . . . . A 88 ASN ND2 . 30955 1 566 . 1 . 1 89 89 LYS H H 1 8.458 0.00 . . . . . . A 89 LYS H . 30955 1 567 . 1 . 1 89 89 LYS C C 13 174.337 0.04 . . . . . . A 89 LYS C . 30955 1 568 . 1 . 1 89 89 LYS CA C 13 57.078 0.03 . . . . . . A 89 LYS CA . 30955 1 569 . 1 . 1 89 89 LYS CB C 13 35.301 0.04 . . . . . . A 89 LYS CB . 30955 1 570 . 1 . 1 89 89 LYS CG C 13 25.904 0.07 . . . . . . A 89 LYS CG . 30955 1 571 . 1 . 1 89 89 LYS CD C 13 30.503 0.06 . . . . . . A 89 LYS CD . 30955 1 572 . 1 . 1 89 89 LYS CE C 13 42.784 0.07 . . . . . . A 89 LYS CE . 30955 1 573 . 1 . 1 89 89 LYS N N 15 128.576 0.10 . . . . . . A 89 LYS N . 30955 1 574 . 1 . 1 90 90 ASP H H 1 8.635 0.00 . . . . . . A 90 ASP H . 30955 1 575 . 1 . 1 90 90 ASP C C 13 177.318 0.01 . . . . . . A 90 ASP C . 30955 1 576 . 1 . 1 90 90 ASP CA C 13 56.625 0.08 . . . . . . A 90 ASP CA . 30955 1 577 . 1 . 1 90 90 ASP CB C 13 41.393 0.07 . . . . . . A 90 ASP CB . 30955 1 578 . 1 . 1 90 90 ASP CG C 13 180.236 0.09 . . . . . . A 90 ASP CG . 30955 1 579 . 1 . 1 90 90 ASP N N 15 126.706 0.06 . . . . . . A 90 ASP N . 30955 1 580 . 1 . 1 91 91 GLY H H 1 9.149 0.01 . . . . . . A 91 GLY H . 30955 1 581 . 1 . 1 91 91 GLY C C 13 171.679 0.03 . . . . . . A 91 GLY C . 30955 1 582 . 1 . 1 91 91 GLY CA C 13 45.782 0.03 . . . . . . A 91 GLY CA . 30955 1 583 . 1 . 1 91 91 GLY N N 15 113.463 0.39 . . . . . . A 91 GLY N . 30955 1 584 . 1 . 1 92 92 ILE H H 1 7.774 0.00 . . . . . . A 92 ILE H . 30955 1 585 . 1 . 1 92 92 ILE C C 13 177.452 0.01 . . . . . . A 92 ILE C . 30955 1 586 . 1 . 1 92 92 ILE CA C 13 57.471 0.05 . . . . . . A 92 ILE CA . 30955 1 587 . 1 . 1 92 92 ILE CB C 13 37.695 0.07 . . . . . . A 92 ILE CB . 30955 1 588 . 1 . 1 92 92 ILE CG1 C 13 26.601 0.10 . . . . . . A 92 ILE CG1 . 30955 1 589 . 1 . 1 92 92 ILE CG2 C 13 16.727 0.08 . . . . . . A 92 ILE CG2 . 30955 1 590 . 1 . 1 92 92 ILE CD1 C 13 11.432 0.08 . . . . . . A 92 ILE CD1 . 30955 1 591 . 1 . 1 92 92 ILE N N 15 118.617 0.14 . . . . . . A 92 ILE N . 30955 1 592 . 1 . 1 93 93 ILE H H 1 8.757 0.00 . . . . . . A 93 ILE H . 30955 1 593 . 1 . 1 93 93 ILE C C 13 175.082 0.05 . . . . . . A 93 ILE C . 30955 1 594 . 1 . 1 93 93 ILE CA C 13 58.420 0.07 . . . . . . A 93 ILE CA . 30955 1 595 . 1 . 1 93 93 ILE CB C 13 41.571 0.08 . . . . . . A 93 ILE CB . 30955 1 596 . 1 . 1 93 93 ILE CG1 C 13 27.218 0.09 . . . . . . A 93 ILE CG1 . 30955 1 597 . 1 . 1 93 93 ILE CG2 C 13 18.806 0.22 . . . . . . A 93 ILE CG2 . 30955 1 598 . 1 . 1 93 93 ILE CD1 C 13 13.766 0.12 . . . . . . A 93 ILE CD1 . 30955 1 599 . 1 . 1 93 93 ILE N N 15 123.460 0.06 . . . . . . A 93 ILE N . 30955 1 600 . 1 . 1 94 94 TRP H H 1 8.533 0.00 . . . . . . A 94 TRP H . 30955 1 601 . 1 . 1 94 94 TRP HE1 H 1 10.982 0.00 . . . . . . A 94 TRP HE1 . 30955 1 602 . 1 . 1 94 94 TRP C C 13 177.184 0.06 . . . . . . A 94 TRP C . 30955 1 603 . 1 . 1 94 94 TRP CA C 13 57.105 0.08 . . . . . . A 94 TRP CA . 30955 1 604 . 1 . 1 94 94 TRP CB C 13 30.813 0.09 . . . . . . A 94 TRP CB . 30955 1 605 . 1 . 1 94 94 TRP CG C 13 112.749 0.03 . . . . . . A 94 TRP CG . 30955 1 606 . 1 . 1 94 94 TRP CD1 C 13 126.822 0.05 . . . . . . A 94 TRP CD1 . 30955 1 607 . 1 . 1 94 94 TRP CE2 C 13 138.342 0.13 . . . . . . A 94 TRP CE2 . 30955 1 608 . 1 . 1 94 94 TRP N N 15 126.034 0.03 . . . . . . A 94 TRP N . 30955 1 609 . 1 . 1 94 94 TRP NE1 N 15 132.189 0.06 . . . . . . A 94 TRP NE1 . 30955 1 610 . 1 . 1 95 95 VAL H H 1 9.752 0.00 . . . . . . A 95 VAL H . 30955 1 611 . 1 . 1 95 95 VAL C C 13 174.485 0.02 . . . . . . A 95 VAL C . 30955 1 612 . 1 . 1 95 95 VAL CA C 13 59.432 0.07 . . . . . . A 95 VAL CA . 30955 1 613 . 1 . 1 95 95 VAL CB C 13 36.422 0.10 . . . . . . A 95 VAL CB . 30955 1 614 . 1 . 1 95 95 VAL CG1 C 13 24.731 0.06 . . . . . . A 95 VAL CG1 . 30955 1 615 . 1 . 1 95 95 VAL CG2 C 13 20.450 0.13 . . . . . . A 95 VAL CG2 . 30955 1 616 . 1 . 1 95 95 VAL N N 15 116.340 0.10 . . . . . . A 95 VAL N . 30955 1 617 . 1 . 1 96 96 ALA H H 1 8.487 0.00 . . . . . . A 96 ALA H . 30955 1 618 . 1 . 1 96 96 ALA C C 13 177.334 0.02 . . . . . . A 96 ALA C . 30955 1 619 . 1 . 1 96 96 ALA CA C 13 52.688 0.06 . . . . . . A 96 ALA CA . 30955 1 620 . 1 . 1 96 96 ALA CB C 13 22.178 0.09 . . . . . . A 96 ALA CB . 30955 1 621 . 1 . 1 96 96 ALA N N 15 120.026 0.05 . . . . . . A 96 ALA N . 30955 1 622 . 1 . 1 97 97 THR H H 1 8.906 0.00 . . . . . . A 97 THR H . 30955 1 623 . 1 . 1 97 97 THR C C 13 174.268 0.03 . . . . . . A 97 THR C . 30955 1 624 . 1 . 1 97 97 THR CA C 13 63.556 0.08 . . . . . . A 97 THR CA . 30955 1 625 . 1 . 1 97 97 THR CB C 13 70.152 0.10 . . . . . . A 97 THR CB . 30955 1 626 . 1 . 1 97 97 THR CG2 C 13 22.210 0.09 . . . . . . A 97 THR CG2 . 30955 1 627 . 1 . 1 97 97 THR N N 15 127.592 0.07 . . . . . . A 97 THR N . 30955 1 628 . 1 . 1 98 98 GLU H H 1 8.751 0.00 . . . . . . A 98 GLU H . 30955 1 629 . 1 . 1 98 98 GLU C C 13 177.983 0.11 . . . . . . A 98 GLU C . 30955 1 630 . 1 . 1 98 98 GLU CA C 13 58.718 0.08 . . . . . . A 98 GLU CA . 30955 1 631 . 1 . 1 98 98 GLU CB C 13 29.535 0.02 . . . . . . A 98 GLU CB . 30955 1 632 . 1 . 1 98 98 GLU CG C 13 36.132 0.17 . . . . . . A 98 GLU CG . 30955 1 633 . 1 . 1 98 98 GLU CD C 13 181.671 0.07 . . . . . . A 98 GLU CD . 30955 1 634 . 1 . 1 98 98 GLU N N 15 127.810 0.10 . . . . . . A 98 GLU N . 30955 1 635 . 1 . 1 99 99 GLY H H 1 8.437 0.00 . . . . . . A 99 GLY H . 30955 1 636 . 1 . 1 99 99 GLY C C 13 174.319 0.00 . . . . . . A 99 GLY C . 30955 1 637 . 1 . 1 99 99 GLY CA C 13 44.777 0.10 . . . . . . A 99 GLY CA . 30955 1 638 . 1 . 1 99 99 GLY N N 15 112.798 0.11 . . . . . . A 99 GLY N . 30955 1 639 . 1 . 1 100 100 ALA H H 1 7.421 0.00 . . . . . . A 100 ALA H . 30955 1 640 . 1 . 1 100 100 ALA C C 13 177.217 0.01 . . . . . . A 100 ALA C . 30955 1 641 . 1 . 1 100 100 ALA CA C 13 53.038 0.05 . . . . . . A 100 ALA CA . 30955 1 642 . 1 . 1 100 100 ALA CB C 13 20.830 0.13 . . . . . . A 100 ALA CB . 30955 1 643 . 1 . 1 100 100 ALA N N 15 123.350 0.10 . . . . . . A 100 ALA N . 30955 1 644 . 1 . 1 101 101 LEU H H 1 8.787 0.00 . . . . . . A 101 LEU H . 30955 1 645 . 1 . 1 101 101 LEU C C 13 178.150 0.03 . . . . . . A 101 LEU C . 30955 1 646 . 1 . 1 101 101 LEU CA C 13 53.706 0.03 . . . . . . A 101 LEU CA . 30955 1 647 . 1 . 1 101 101 LEU CB C 13 44.095 0.07 . . . . . . A 101 LEU CB . 30955 1 648 . 1 . 1 101 101 LEU CG C 13 27.270 0.09 . . . . . . A 101 LEU CG . 30955 1 649 . 1 . 1 101 101 LEU CD1 C 13 23.444 0.08 . . . . . . A 101 LEU CD1 . 30955 1 650 . 1 . 1 101 101 LEU CD2 C 13 25.096 0.04 . . . . . . A 101 LEU CD2 . 30955 1 651 . 1 . 1 101 101 LEU N N 15 120.535 0.04 . . . . . . A 101 LEU N . 30955 1 652 . 1 . 1 102 102 ASN H H 1 8.968 0.00 . . . . . . A 102 ASN H . 30955 1 653 . 1 . 1 102 102 ASN HD21 H 1 6.595 0.00 . . . . . . A 102 ASN HD21 . 30955 1 654 . 1 . 1 102 102 ASN C C 13 177.480 0.02 . . . . . . A 102 ASN C . 30955 1 655 . 1 . 1 102 102 ASN CA C 13 51.770 0.05 . . . . . . A 102 ASN CA . 30955 1 656 . 1 . 1 102 102 ASN CB C 13 36.084 0.05 . . . . . . A 102 ASN CB . 30955 1 657 . 1 . 1 102 102 ASN CG C 13 175.881 0.05 . . . . . . A 102 ASN CG . 30955 1 658 . 1 . 1 102 102 ASN N N 15 125.068 0.04 . . . . . . A 102 ASN N . 30955 1 659 . 1 . 1 102 102 ASN ND2 N 15 107.012 0.09 . . . . . . A 102 ASN ND2 . 30955 1 660 . 1 . 1 103 103 THR H H 1 7.727 0.00 . . . . . . A 103 THR H . 30955 1 661 . 1 . 1 103 103 THR C C 13 171.909 0.02 . . . . . . A 103 THR C . 30955 1 662 . 1 . 1 103 103 THR CA C 13 57.993 0.06 . . . . . . A 103 THR CA . 30955 1 663 . 1 . 1 103 103 THR CB C 13 70.440 0.10 . . . . . . A 103 THR CB . 30955 1 664 . 1 . 1 103 103 THR CG2 C 13 23.621 0.06 . . . . . . A 103 THR CG2 . 30955 1 665 . 1 . 1 103 103 THR N N 15 114.141 0.13 . . . . . . A 103 THR N . 30955 1 666 . 1 . 1 104 104 PRO C C 13 175.997 0.01 . . . . . . A 104 PRO C . 30955 1 667 . 1 . 1 104 104 PRO CA C 13 62.859 0.10 . . . . . . A 104 PRO CA . 30955 1 668 . 1 . 1 104 104 PRO CB C 13 32.702 0.06 . . . . . . A 104 PRO CB . 30955 1 669 . 1 . 1 104 104 PRO CG C 13 28.264 0.01 . . . . . . A 104 PRO CG . 30955 1 670 . 1 . 1 104 104 PRO CD C 13 50.324 0.08 . . . . . . A 104 PRO CD . 30955 1 671 . 1 . 1 104 104 PRO N N 15 133.204 0.28 . . . . . . A 104 PRO N . 30955 1 672 . 1 . 1 105 105 LYS H H 1 9.064 0.00 . . . . . . A 105 LYS H . 30955 1 673 . 1 . 1 105 105 LYS C C 13 178.210 0.04 . . . . . . A 105 LYS C . 30955 1 674 . 1 . 1 105 105 LYS CA C 13 51.320 0.04 . . . . . . A 105 LYS CA . 30955 1 675 . 1 . 1 105 105 LYS CB C 13 27.650 0.10 . . . . . . A 105 LYS CB . 30955 1 676 . 1 . 1 105 105 LYS CG C 13 24.560 0.12 . . . . . . A 105 LYS CG . 30955 1 677 . 1 . 1 105 105 LYS CD C 13 27.288 0.05 . . . . . . A 105 LYS CD . 30955 1 678 . 1 . 1 105 105 LYS CE C 13 45.185 0.09 . . . . . . A 105 LYS CE . 30955 1 679 . 1 . 1 105 105 LYS N N 15 121.110 0.03 . . . . . . A 105 LYS N . 30955 1 680 . 1 . 1 106 106 ASP H H 1 8.456 0.00 . . . . . . A 106 ASP H . 30955 1 681 . 1 . 1 106 106 ASP C C 13 176.430 0.05 . . . . . . A 106 ASP C . 30955 1 682 . 1 . 1 106 106 ASP CA C 13 56.980 0.02 . . . . . . A 106 ASP CA . 30955 1 683 . 1 . 1 106 106 ASP CB C 13 40.141 0.14 . . . . . . A 106 ASP CB . 30955 1 684 . 1 . 1 106 106 ASP CG C 13 180.378 0.03 . . . . . . A 106 ASP CG . 30955 1 685 . 1 . 1 106 106 ASP N N 15 121.404 0.01 . . . . . . A 106 ASP N . 30955 1 686 . 1 . 1 107 107 HIS H H 1 8.640 0.00 . . . . . . A 107 HIS H . 30955 1 687 . 1 . 1 107 107 HIS C C 13 176.382 0.08 . . . . . . A 107 HIS C . 30955 1 688 . 1 . 1 107 107 HIS CA C 13 57.945 0.04 . . . . . . A 107 HIS CA . 30955 1 689 . 1 . 1 107 107 HIS CB C 13 28.746 0.01 . . . . . . A 107 HIS CB . 30955 1 690 . 1 . 1 107 107 HIS CG C 13 131.995 0.07 . . . . . . A 107 HIS CG . 30955 1 691 . 1 . 1 107 107 HIS CD2 C 13 119.039 0.05 . . . . . . A 107 HIS CD2 . 30955 1 692 . 1 . 1 107 107 HIS N N 15 114.918 0.05 . . . . . . A 107 HIS N . 30955 1 693 . 1 . 1 108 108 ILE H H 1 6.660 0.00 . . . . . . A 108 ILE H . 30955 1 694 . 1 . 1 108 108 ILE C C 13 178.897 0.04 . . . . . . A 108 ILE C . 30955 1 695 . 1 . 1 108 108 ILE CA C 13 63.381 0.10 . . . . . . A 108 ILE CA . 30955 1 696 . 1 . 1 108 108 ILE CB C 13 39.225 0.11 . . . . . . A 108 ILE CB . 30955 1 697 . 1 . 1 108 108 ILE CG1 C 13 27.721 0.05 . . . . . . A 108 ILE CG1 . 30955 1 698 . 1 . 1 108 108 ILE CG2 C 13 17.763 0.10 . . . . . . A 108 ILE CG2 . 30955 1 699 . 1 . 1 108 108 ILE CD1 C 13 11.405 0.06 . . . . . . A 108 ILE CD1 . 30955 1 700 . 1 . 1 108 108 ILE N N 15 121.605 0.15 . . . . . . A 108 ILE N . 30955 1 701 . 1 . 1 109 109 GLY H H 1 7.862 0.00 . . . . . . A 109 GLY H . 30955 1 702 . 1 . 1 109 109 GLY C C 13 173.919 0.06 . . . . . . A 109 GLY C . 30955 1 703 . 1 . 1 109 109 GLY CA C 13 46.323 0.07 . . . . . . A 109 GLY CA . 30955 1 704 . 1 . 1 109 109 GLY N N 15 104.273 0.18 . . . . . . A 109 GLY N . 30955 1 705 . 1 . 1 110 110 THR H H 1 8.378 0.00 . . . . . . A 110 THR H . 30955 1 706 . 1 . 1 110 110 THR C C 13 174.077 0.05 . . . . . . A 110 THR C . 30955 1 707 . 1 . 1 110 110 THR CA C 13 60.141 0.06 . . . . . . A 110 THR CA . 30955 1 708 . 1 . 1 110 110 THR CB C 13 69.885 0.13 . . . . . . A 110 THR CB . 30955 1 709 . 1 . 1 110 110 THR CG2 C 13 24.311 0.13 . . . . . . A 110 THR CG2 . 30955 1 710 . 1 . 1 110 110 THR N N 15 111.884 0.12 . . . . . . A 110 THR N . 30955 1 711 . 1 . 1 111 111 ARG H H 1 7.456 0.00 . . . . . . A 111 ARG H . 30955 1 712 . 1 . 1 111 111 ARG HE H 1 7.941 0.00 . . . . . . A 111 ARG HE . 30955 1 713 . 1 . 1 111 111 ARG C C 13 174.529 0.02 . . . . . . A 111 ARG C . 30955 1 714 . 1 . 1 111 111 ARG CA C 13 55.129 0.14 . . . . . . A 111 ARG CA . 30955 1 715 . 1 . 1 111 111 ARG CB C 13 33.261 0.08 . . . . . . A 111 ARG CB . 30955 1 716 . 1 . 1 111 111 ARG CG C 13 28.243 0.03 . . . . . . A 111 ARG CG . 30955 1 717 . 1 . 1 111 111 ARG CD C 13 42.871 0.10 . . . . . . A 111 ARG CD . 30955 1 718 . 1 . 1 111 111 ARG CZ C 13 158.545 0.11 . . . . . . A 111 ARG CZ . 30955 1 719 . 1 . 1 111 111 ARG N N 15 119.702 0.03 . . . . . . A 111 ARG N . 30955 1 720 . 1 . 1 111 111 ARG NE N 15 81.668 0.12 . . . . . . A 111 ARG NE . 30955 1 721 . 1 . 1 112 112 ASN H H 1 8.869 0.00 . . . . . . A 112 ASN H . 30955 1 722 . 1 . 1 112 112 ASN HD21 H 1 7.097 0.00 . . . . . . A 112 ASN HD21 . 30955 1 723 . 1 . 1 112 112 ASN C C 13 175.682 0.01 . . . . . . A 112 ASN C . 30955 1 724 . 1 . 1 112 112 ASN CA C 13 49.320 0.09 . . . . . . A 112 ASN CA . 30955 1 725 . 1 . 1 112 112 ASN CB C 13 38.618 0.11 . . . . . . A 112 ASN CB . 30955 1 726 . 1 . 1 112 112 ASN CG C 13 178.113 0.06 . . . . . . A 112 ASN CG . 30955 1 727 . 1 . 1 112 112 ASN N N 15 125.195 0.03 . . . . . . A 112 ASN N . 30955 1 728 . 1 . 1 112 112 ASN ND2 N 15 112.147 0.07 . . . . . . A 112 ASN ND2 . 30955 1 729 . 1 . 1 113 113 PRO CA C 13 63.543 0.03 . . . . . . A 113 PRO CA . 30955 1 730 . 1 . 1 113 113 PRO CB C 13 32.992 0.10 . . . . . . A 113 PRO CB . 30955 1 731 . 1 . 1 113 113 PRO CG C 13 27.691 0.03 . . . . . . A 113 PRO CG . 30955 1 732 . 1 . 1 113 113 PRO CD C 13 51.484 0.07 . . . . . . A 113 PRO CD . 30955 1 733 . 1 . 1 114 114 ALA H H 1 7.826 0.00 . . . . . . A 114 ALA H . 30955 1 734 . 1 . 1 114 114 ALA C C 13 177.589 0.04 . . . . . . A 114 ALA C . 30955 1 735 . 1 . 1 114 114 ALA CA C 13 53.748 0.09 . . . . . . A 114 ALA CA . 30955 1 736 . 1 . 1 114 114 ALA CB C 13 18.984 0.07 . . . . . . A 114 ALA CB . 30955 1 737 . 1 . 1 114 114 ALA N N 15 117.970 0.03 . . . . . . A 114 ALA N . 30955 1 738 . 1 . 1 115 115 ASN H H 1 7.626 0.00 . . . . . . A 115 ASN H . 30955 1 739 . 1 . 1 115 115 ASN HD21 H 1 6.796 0.00 . . . . . . A 115 ASN HD21 . 30955 1 740 . 1 . 1 115 115 ASN C C 13 175.546 0.05 . . . . . . A 115 ASN C . 30955 1 741 . 1 . 1 115 115 ASN CA C 13 53.288 0.10 . . . . . . A 115 ASN CA . 30955 1 742 . 1 . 1 115 115 ASN CB C 13 41.186 0.07 . . . . . . A 115 ASN CB . 30955 1 743 . 1 . 1 115 115 ASN N N 15 113.026 0.15 . . . . . . A 115 ASN N . 30955 1 744 . 1 . 1 115 115 ASN ND2 N 15 110.785 0.04 . . . . . . A 115 ASN ND2 . 30955 1 745 . 1 . 1 116 116 ASN H H 1 7.661 0.00 . . . . . . A 116 ASN H . 30955 1 746 . 1 . 1 116 116 ASN HD21 H 1 7.134 0.00 . . . . . . A 116 ASN HD21 . 30955 1 747 . 1 . 1 116 116 ASN C C 13 174.319 0.03 . . . . . . A 116 ASN C . 30955 1 748 . 1 . 1 116 116 ASN CA C 13 53.455 0.03 . . . . . . A 116 ASN CA . 30955 1 749 . 1 . 1 116 116 ASN CB C 13 44.219 0.27 . . . . . . A 116 ASN CB . 30955 1 750 . 1 . 1 116 116 ASN N N 15 117.116 0.35 . . . . . . A 116 ASN N . 30955 1 751 . 1 . 1 116 116 ASN ND2 N 15 112.737 0.05 . . . . . . A 116 ASN ND2 . 30955 1 752 . 1 . 1 117 117 ALA H H 1 8.622 0.00 . . . . . . A 117 ALA H . 30955 1 753 . 1 . 1 117 117 ALA C C 13 176.798 0.12 . . . . . . A 117 ALA C . 30955 1 754 . 1 . 1 117 117 ALA CA C 13 51.584 0.04 . . . . . . A 117 ALA CA . 30955 1 755 . 1 . 1 117 117 ALA CB C 13 19.542 0.07 . . . . . . A 117 ALA CB . 30955 1 756 . 1 . 1 117 117 ALA N N 15 127.429 0.09 . . . . . . A 117 ALA N . 30955 1 757 . 1 . 1 118 118 ALA H H 1 8.503 0.00 . . . . . . A 118 ALA H . 30955 1 758 . 1 . 1 118 118 ALA C C 13 176.915 0.01 . . . . . . A 118 ALA C . 30955 1 759 . 1 . 1 118 118 ALA CA C 13 52.508 0.08 . . . . . . A 118 ALA CA . 30955 1 760 . 1 . 1 118 118 ALA CB C 13 19.387 0.11 . . . . . . A 118 ALA CB . 30955 1 761 . 1 . 1 118 118 ALA N N 15 123.142 0.17 . . . . . . A 118 ALA N . 30955 1 762 . 1 . 1 119 119 ILE H H 1 9.587 0.05 . . . . . . A 119 ILE H . 30955 1 763 . 1 . 1 119 119 ILE C C 13 177.932 0.02 . . . . . . A 119 ILE C . 30955 1 764 . 1 . 1 119 119 ILE CA C 13 60.823 0.09 . . . . . . A 119 ILE CA . 30955 1 765 . 1 . 1 119 119 ILE CB C 13 39.209 0.13 . . . . . . A 119 ILE CB . 30955 1 766 . 1 . 1 119 119 ILE CG1 C 13 27.903 0.09 . . . . . . A 119 ILE CG1 . 30955 1 767 . 1 . 1 119 119 ILE CG2 C 13 17.716 0.11 . . . . . . A 119 ILE CG2 . 30955 1 768 . 1 . 1 119 119 ILE CD1 C 13 14.174 0.09 . . . . . . A 119 ILE CD1 . 30955 1 769 . 1 . 1 119 119 ILE N N 15 123.296 0.08 . . . . . . A 119 ILE N . 30955 1 770 . 1 . 1 120 120 VAL H H 1 8.662 0.00 . . . . . . A 120 VAL H . 30955 1 771 . 1 . 1 120 120 VAL C C 13 178.186 0.05 . . . . . . A 120 VAL C . 30955 1 772 . 1 . 1 120 120 VAL CA C 13 64.028 0.11 . . . . . . A 120 VAL CA . 30955 1 773 . 1 . 1 120 120 VAL CB C 13 31.698 0.15 . . . . . . A 120 VAL CB . 30955 1 774 . 1 . 1 120 120 VAL CG1 C 13 22.495 0.05 . . . . . . A 120 VAL CG1 . 30955 1 775 . 1 . 1 120 120 VAL CG2 C 13 21.421 0.09 . . . . . . A 120 VAL CG2 . 30955 1 776 . 1 . 1 120 120 VAL N N 15 128.755 0.20 . . . . . . A 120 VAL N . 30955 1 777 . 1 . 1 121 121 LEU H H 1 8.598 0.00 . . . . . . A 121 LEU H . 30955 1 778 . 1 . 1 121 121 LEU C C 13 175.888 0.05 . . . . . . A 121 LEU C . 30955 1 779 . 1 . 1 121 121 LEU CA C 13 58.789 0.09 . . . . . . A 121 LEU CA . 30955 1 780 . 1 . 1 121 121 LEU CB C 13 41.377 0.07 . . . . . . A 121 LEU CB . 30955 1 781 . 1 . 1 121 121 LEU CG C 13 29.864 0.11 . . . . . . A 121 LEU CG . 30955 1 782 . 1 . 1 121 121 LEU CD1 C 13 26.649 0.07 . . . . . . A 121 LEU CD1 . 30955 1 783 . 1 . 1 121 121 LEU CD2 C 13 24.709 0.03 . . . . . . A 121 LEU CD2 . 30955 1 784 . 1 . 1 121 121 LEU N N 15 133.795 0.16 . . . . . . A 121 LEU N . 30955 1 785 . 1 . 1 122 122 GLN H H 1 9.470 0.00 . . . . . . A 122 GLN H . 30955 1 786 . 1 . 1 122 122 GLN HE21 H 1 7.167 0.00 . . . . . . A 122 GLN HE21 . 30955 1 787 . 1 . 1 122 122 GLN C C 13 173.883 0.01 . . . . . . A 122 GLN C . 30955 1 788 . 1 . 1 122 122 GLN CA C 13 54.564 0.05 . . . . . . A 122 GLN CA . 30955 1 789 . 1 . 1 122 122 GLN CB C 13 32.507 0.08 . . . . . . A 122 GLN CB . 30955 1 790 . 1 . 1 122 122 GLN CG C 13 34.139 0.09 . . . . . . A 122 GLN CG . 30955 1 791 . 1 . 1 122 122 GLN N N 15 129.908 0.23 . . . . . . A 122 GLN N . 30955 1 792 . 1 . 1 122 122 GLN NE2 N 15 110.602 0.00 . . . . . . A 122 GLN NE2 . 30955 1 793 . 1 . 1 123 123 LEU H H 1 8.845 0.00 . . . . . . A 123 LEU H . 30955 1 794 . 1 . 1 123 123 LEU C C 13 175.004 0.04 . . . . . . A 123 LEU C . 30955 1 795 . 1 . 1 123 123 LEU CA C 13 51.158 0.04 . . . . . . A 123 LEU CA . 30955 1 796 . 1 . 1 123 123 LEU CB C 13 41.791 0.09 . . . . . . A 123 LEU CB . 30955 1 797 . 1 . 1 123 123 LEU CG C 13 27.256 0.08 . . . . . . A 123 LEU CG . 30955 1 798 . 1 . 1 123 123 LEU CD1 C 13 26.063 0.05 . . . . . . A 123 LEU CD1 . 30955 1 799 . 1 . 1 123 123 LEU CD2 C 13 22.849 0.11 . . . . . . A 123 LEU CD2 . 30955 1 800 . 1 . 1 123 123 LEU N N 15 123.793 0.04 . . . . . . A 123 LEU N . 30955 1 801 . 1 . 1 124 124 PRO CA C 13 62.907 0.05 . . . . . . A 124 PRO CA . 30955 1 802 . 1 . 1 124 124 PRO CB C 13 32.279 0.02 . . . . . . A 124 PRO CB . 30955 1 803 . 1 . 1 124 124 PRO CG C 13 27.817 0.02 . . . . . . A 124 PRO CG . 30955 1 804 . 1 . 1 124 124 PRO CD C 13 51.072 0.01 . . . . . . A 124 PRO CD . 30955 1 805 . 1 . 1 125 125 GLN H H 1 8.618 0.00 . . . . . . A 125 GLN H . 30955 1 806 . 1 . 1 125 125 GLN HE21 H 1 6.860 0.00 . . . . . . A 125 GLN HE21 . 30955 1 807 . 1 . 1 125 125 GLN C C 13 176.816 0.02 . . . . . . A 125 GLN C . 30955 1 808 . 1 . 1 125 125 GLN CA C 13 57.923 0.04 . . . . . . A 125 GLN CA . 30955 1 809 . 1 . 1 125 125 GLN CB C 13 28.719 0.05 . . . . . . A 125 GLN CB . 30955 1 810 . 1 . 1 125 125 GLN CG C 13 33.916 0.03 . . . . . . A 125 GLN CG . 30955 1 811 . 1 . 1 125 125 GLN N N 15 122.713 0.05 . . . . . . A 125 GLN N . 30955 1 812 . 1 . 1 125 125 GLN NE2 N 15 111.839 0.00 . . . . . . A 125 GLN NE2 . 30955 1 813 . 1 . 1 126 126 GLY H H 1 8.769 0.00 . . . . . . A 126 GLY H . 30955 1 814 . 1 . 1 126 126 GLY C C 13 174.430 0.01 . . . . . . A 126 GLY C . 30955 1 815 . 1 . 1 126 126 GLY CA C 13 45.332 0.07 . . . . . . A 126 GLY CA . 30955 1 816 . 1 . 1 126 126 GLY N N 15 113.358 0.32 . . . . . . A 126 GLY N . 30955 1 817 . 1 . 1 127 127 THR H H 1 8.481 0.00 . . . . . . A 127 THR H . 30955 1 818 . 1 . 1 127 127 THR C C 13 174.063 0.00 . . . . . . A 127 THR C . 30955 1 819 . 1 . 1 127 127 THR CA C 13 62.961 0.06 . . . . . . A 127 THR CA . 30955 1 820 . 1 . 1 127 127 THR CB C 13 70.092 0.10 . . . . . . A 127 THR CB . 30955 1 821 . 1 . 1 127 127 THR CG2 C 13 24.069 0.09 . . . . . . A 127 THR CG2 . 30955 1 822 . 1 . 1 127 127 THR N N 15 118.823 0.10 . . . . . . A 127 THR N . 30955 1 823 . 1 . 1 128 128 THR H H 1 8.712 0.00 . . . . . . A 128 THR H . 30955 1 824 . 1 . 1 128 128 THR C C 13 173.076 0.44 . . . . . . A 128 THR C . 30955 1 825 . 1 . 1 128 128 THR CA C 13 60.885 0.07 . . . . . . A 128 THR CA . 30955 1 826 . 1 . 1 128 128 THR CB C 13 70.225 0.10 . . . . . . A 128 THR CB . 30955 1 827 . 1 . 1 128 128 THR CG2 C 13 21.995 0.06 . . . . . . A 128 THR CG2 . 30955 1 828 . 1 . 1 128 128 THR N N 15 118.853 0.03 . . . . . . A 128 THR N . 30955 1 829 . 1 . 1 129 129 LEU H H 1 8.339 0.00 . . . . . . A 129 LEU H . 30955 1 830 . 1 . 1 129 129 LEU C C 13 173.889 0.01 . . . . . . A 129 LEU C . 30955 1 831 . 1 . 1 129 129 LEU CA C 13 52.365 0.09 . . . . . . A 129 LEU CA . 30955 1 832 . 1 . 1 129 129 LEU CB C 13 42.708 0.11 . . . . . . A 129 LEU CB . 30955 1 833 . 1 . 1 129 129 LEU N N 15 127.903 0.10 . . . . . . A 129 LEU N . 30955 1 834 . 1 . 1 130 130 PRO C C 13 175.445 0.00 . . . . . . A 130 PRO C . 30955 1 835 . 1 . 1 130 130 PRO CA C 13 62.426 0.05 . . . . . . A 130 PRO CA . 30955 1 836 . 1 . 1 130 130 PRO CB C 13 31.486 0.07 . . . . . . A 130 PRO CB . 30955 1 837 . 1 . 1 130 130 PRO CG C 13 27.948 0.06 . . . . . . A 130 PRO CG . 30955 1 838 . 1 . 1 130 130 PRO CD C 13 50.191 0.09 . . . . . . A 130 PRO CD . 30955 1 839 . 1 . 1 130 130 PRO N N 15 136.348 0.26 . . . . . . A 130 PRO N . 30955 1 840 . 1 . 1 131 131 LYS H H 1 8.531 0.00 . . . . . . A 131 LYS H . 30955 1 841 . 1 . 1 131 131 LYS C C 13 178.009 0.04 . . . . . . A 131 LYS C . 30955 1 842 . 1 . 1 131 131 LYS CA C 13 58.017 0.09 . . . . . . A 131 LYS CA . 30955 1 843 . 1 . 1 131 131 LYS CB C 13 32.514 0.09 . . . . . . A 131 LYS CB . 30955 1 844 . 1 . 1 131 131 LYS CG C 13 25.066 0.03 . . . . . . A 131 LYS CG . 30955 1 845 . 1 . 1 131 131 LYS CD C 13 29.232 0.00 . . . . . . A 131 LYS CD . 30955 1 846 . 1 . 1 131 131 LYS CE C 13 42.127 0.10 . . . . . . A 131 LYS CE . 30955 1 847 . 1 . 1 131 131 LYS N N 15 121.632 0.04 . . . . . . A 131 LYS N . 30955 1 848 . 1 . 1 132 132 GLY H H 1 8.592 0.00 . . . . . . A 132 GLY H . 30955 1 849 . 1 . 1 132 132 GLY C C 13 173.486 0.04 . . . . . . A 132 GLY C . 30955 1 850 . 1 . 1 132 132 GLY CA C 13 45.234 0.12 . . . . . . A 132 GLY CA . 30955 1 851 . 1 . 1 132 132 GLY N N 15 111.746 0.15 . . . . . . A 132 GLY N . 30955 1 852 . 1 . 1 133 133 PHE H H 1 7.316 0.00 . . . . . . A 133 PHE H . 30955 1 853 . 1 . 1 133 133 PHE C C 13 174.627 0.01 . . . . . . A 133 PHE C . 30955 1 854 . 1 . 1 133 133 PHE CA C 13 56.864 0.04 . . . . . . A 133 PHE CA . 30955 1 855 . 1 . 1 133 133 PHE CB C 13 41.900 0.06 . . . . . . A 133 PHE CB . 30955 1 856 . 1 . 1 133 133 PHE CD1 C 13 131.572 0.03 . . . . . . A 133 PHE CD1 . 30955 1 857 . 1 . 1 133 133 PHE CD2 C 13 131.554 0.07 . . . . . . A 133 PHE CD2 . 30955 1 858 . 1 . 1 133 133 PHE N N 15 116.483 0.04 . . . . . . A 133 PHE N . 30955 1 859 . 1 . 1 134 134 TYR H H 1 8.550 0.00 . . . . . . A 134 TYR H . 30955 1 860 . 1 . 1 134 134 TYR C C 13 174.241 0.00 . . . . . . A 134 TYR C . 30955 1 861 . 1 . 1 134 134 TYR CA C 13 56.752 0.11 . . . . . . A 134 TYR CA . 30955 1 862 . 1 . 1 134 134 TYR CB C 13 41.597 0.08 . . . . . . A 134 TYR CB . 30955 1 863 . 1 . 1 134 134 TYR CG C 13 132.707 0.09 . . . . . . A 134 TYR CG . 30955 1 864 . 1 . 1 134 134 TYR CD1 C 13 134.269 0.04 . . . . . . A 134 TYR CD1 . 30955 1 865 . 1 . 1 134 134 TYR CD2 C 13 134.269 0.00 . . . . . . A 134 TYR CD2 . 30955 1 866 . 1 . 1 134 134 TYR CE1 C 13 118.618 0.05 . . . . . . A 134 TYR CE1 . 30955 1 867 . 1 . 1 134 134 TYR CE2 C 13 118.609 0.02 . . . . . . A 134 TYR CE2 . 30955 1 868 . 1 . 1 134 134 TYR CZ C 13 159.515 0.10 . . . . . . A 134 TYR CZ . 30955 1 869 . 1 . 1 134 134 TYR N N 15 117.626 0.04 . . . . . . A 134 TYR N . 30955 1 870 . 1 . 1 135 135 ALA H H 1 8.710 0.00 . . . . . . A 135 ALA H . 30955 1 871 . 1 . 1 135 135 ALA C C 13 177.315 0.04 . . . . . . A 135 ALA C . 30955 1 872 . 1 . 1 135 135 ALA CA C 13 51.998 0.06 . . . . . . A 135 ALA CA . 30955 1 873 . 1 . 1 135 135 ALA CB C 13 19.516 0.16 . . . . . . A 135 ALA CB . 30955 1 874 . 1 . 1 135 135 ALA N N 15 126.928 0.04 . . . . . . A 135 ALA N . 30955 1 875 . 1 . 1 136 136 GLU N N 15 123.535 0.02 . . . . . . A 136 GLU N . 30955 1 stop_ save_