data_31020 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31020 _Entry.Title ; GFP Nanobody NMR Structure ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-05-11 _Entry.Accession_date 2022-05-11 _Entry.Last_release_date 2022-06-01 _Entry.Original_release_date 2022-06-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 G. Mueller G. A. . . 31020 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'IMMUNE SYSTEM' . 31020 'nanobody GFP' . 31020 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31020 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 324 31020 '15N chemical shifts' 110 31020 '1H chemical shifts' 605 31020 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2022-06-03 . original BMRB . 31020 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7V0V 'BMRB Entry Tracking System' 31020 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31020 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35628231 _Citation.DOI 10.3390/ijms23105419 _Citation.Full_citation . _Citation.Title ; Nanobody Paratope Ensembles in Solution Characterized by MD Simulations and NMR. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Int. J. Mol. Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1422-0067 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 5419 _Citation.Page_last 5419 _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 M. Fernandez-Quintero M. L. . . 31020 1 2 E. DeRose E. F. . . 31020 1 3 S. Gabel S. A. . . 31020 1 4 G. Mueller G. A. . . 31020 1 5 K. Liedl K. R. . . 31020 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31020 _Assembly.ID 1 _Assembly.Name 'Anti-GFP Nanobody' _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 . . . . . . 31020 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31020 _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 ; MAQVQLVESGGALVQPGGSL RLSCAASGFPVNRYSMRWYR QAPGKEREWVAGMSSAGDRS SYEDSVKGRFTISRDDARNT VYLQMNSLKPEDTAVYYCNV NVGFEYWGQGTQVTVSSHHH HHH ; _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 123 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13759.219 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 31020 1 2 . ALA . 31020 1 3 . GLN . 31020 1 4 . VAL . 31020 1 5 . GLN . 31020 1 6 . LEU . 31020 1 7 . VAL . 31020 1 8 . GLU . 31020 1 9 . SER . 31020 1 10 . GLY . 31020 1 11 . GLY . 31020 1 12 . ALA . 31020 1 13 . LEU . 31020 1 14 . VAL . 31020 1 15 . GLN . 31020 1 16 . PRO . 31020 1 17 . GLY . 31020 1 18 . GLY . 31020 1 19 . SER . 31020 1 20 . LEU . 31020 1 21 . ARG . 31020 1 22 . LEU . 31020 1 23 . SER . 31020 1 24 . CYS . 31020 1 25 . ALA . 31020 1 26 . ALA . 31020 1 27 . SER . 31020 1 28 . GLY . 31020 1 29 . PHE . 31020 1 30 . PRO . 31020 1 31 . VAL . 31020 1 32 . ASN . 31020 1 33 . ARG . 31020 1 34 . TYR . 31020 1 35 . SER . 31020 1 36 . MET . 31020 1 37 . ARG . 31020 1 38 . TRP . 31020 1 39 . TYR . 31020 1 40 . ARG . 31020 1 41 . GLN . 31020 1 42 . ALA . 31020 1 43 . PRO . 31020 1 44 . GLY . 31020 1 45 . LYS . 31020 1 46 . GLU . 31020 1 47 . ARG . 31020 1 48 . GLU . 31020 1 49 . TRP . 31020 1 50 . VAL . 31020 1 51 . ALA . 31020 1 52 . GLY . 31020 1 53 . MET . 31020 1 54 . SER . 31020 1 55 . SER . 31020 1 56 . ALA . 31020 1 57 . GLY . 31020 1 58 . ASP . 31020 1 59 . ARG . 31020 1 60 . SER . 31020 1 61 . SER . 31020 1 62 . TYR . 31020 1 63 . GLU . 31020 1 64 . ASP . 31020 1 65 . SER . 31020 1 66 . VAL . 31020 1 67 . LYS . 31020 1 68 . GLY . 31020 1 69 . ARG . 31020 1 70 . PHE . 31020 1 71 . THR . 31020 1 72 . ILE . 31020 1 73 . SER . 31020 1 74 . ARG . 31020 1 75 . ASP . 31020 1 76 . ASP . 31020 1 77 . ALA . 31020 1 78 . ARG . 31020 1 79 . ASN . 31020 1 80 . THR . 31020 1 81 . VAL . 31020 1 82 . TYR . 31020 1 83 . LEU . 31020 1 84 . GLN . 31020 1 85 . MET . 31020 1 86 . ASN . 31020 1 87 . SER . 31020 1 88 . LEU . 31020 1 89 . LYS . 31020 1 90 . PRO . 31020 1 91 . GLU . 31020 1 92 . ASP . 31020 1 93 . THR . 31020 1 94 . ALA . 31020 1 95 . VAL . 31020 1 96 . TYR . 31020 1 97 . TYR . 31020 1 98 . CYS . 31020 1 99 . ASN . 31020 1 100 . VAL . 31020 1 101 . ASN . 31020 1 102 . VAL . 31020 1 103 . GLY . 31020 1 104 . PHE . 31020 1 105 . GLU . 31020 1 106 . TYR . 31020 1 107 . TRP . 31020 1 108 . GLY . 31020 1 109 . GLN . 31020 1 110 . GLY . 31020 1 111 . THR . 31020 1 112 . GLN . 31020 1 113 . VAL . 31020 1 114 . THR . 31020 1 115 . VAL . 31020 1 116 . SER . 31020 1 117 . SER . 31020 1 118 . HIS . 31020 1 119 . HIS . 31020 1 120 . HIS . 31020 1 121 . HIS . 31020 1 122 . HIS . 31020 1 123 . HIS . 31020 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 31020 1 . ALA 2 2 31020 1 . GLN 3 3 31020 1 . VAL 4 4 31020 1 . GLN 5 5 31020 1 . LEU 6 6 31020 1 . VAL 7 7 31020 1 . GLU 8 8 31020 1 . SER 9 9 31020 1 . GLY 10 10 31020 1 . GLY 11 11 31020 1 . ALA 12 12 31020 1 . LEU 13 13 31020 1 . VAL 14 14 31020 1 . GLN 15 15 31020 1 . PRO 16 16 31020 1 . GLY 17 17 31020 1 . GLY 18 18 31020 1 . SER 19 19 31020 1 . LEU 20 20 31020 1 . ARG 21 21 31020 1 . LEU 22 22 31020 1 . SER 23 23 31020 1 . CYS 24 24 31020 1 . ALA 25 25 31020 1 . ALA 26 26 31020 1 . SER 27 27 31020 1 . GLY 28 28 31020 1 . PHE 29 29 31020 1 . PRO 30 30 31020 1 . VAL 31 31 31020 1 . ASN 32 32 31020 1 . ARG 33 33 31020 1 . TYR 34 34 31020 1 . SER 35 35 31020 1 . MET 36 36 31020 1 . ARG 37 37 31020 1 . TRP 38 38 31020 1 . TYR 39 39 31020 1 . ARG 40 40 31020 1 . GLN 41 41 31020 1 . ALA 42 42 31020 1 . PRO 43 43 31020 1 . GLY 44 44 31020 1 . LYS 45 45 31020 1 . GLU 46 46 31020 1 . ARG 47 47 31020 1 . GLU 48 48 31020 1 . TRP 49 49 31020 1 . VAL 50 50 31020 1 . ALA 51 51 31020 1 . GLY 52 52 31020 1 . MET 53 53 31020 1 . SER 54 54 31020 1 . SER 55 55 31020 1 . ALA 56 56 31020 1 . GLY 57 57 31020 1 . ASP 58 58 31020 1 . ARG 59 59 31020 1 . SER 60 60 31020 1 . SER 61 61 31020 1 . TYR 62 62 31020 1 . GLU 63 63 31020 1 . ASP 64 64 31020 1 . SER 65 65 31020 1 . VAL 66 66 31020 1 . LYS 67 67 31020 1 . GLY 68 68 31020 1 . ARG 69 69 31020 1 . PHE 70 70 31020 1 . THR 71 71 31020 1 . ILE 72 72 31020 1 . SER 73 73 31020 1 . ARG 74 74 31020 1 . ASP 75 75 31020 1 . ASP 76 76 31020 1 . ALA 77 77 31020 1 . ARG 78 78 31020 1 . ASN 79 79 31020 1 . THR 80 80 31020 1 . VAL 81 81 31020 1 . TYR 82 82 31020 1 . LEU 83 83 31020 1 . GLN 84 84 31020 1 . MET 85 85 31020 1 . ASN 86 86 31020 1 . SER 87 87 31020 1 . LEU 88 88 31020 1 . LYS 89 89 31020 1 . PRO 90 90 31020 1 . GLU 91 91 31020 1 . ASP 92 92 31020 1 . THR 93 93 31020 1 . ALA 94 94 31020 1 . VAL 95 95 31020 1 . TYR 96 96 31020 1 . TYR 97 97 31020 1 . CYS 98 98 31020 1 . ASN 99 99 31020 1 . VAL 100 100 31020 1 . ASN 101 101 31020 1 . VAL 102 102 31020 1 . GLY 103 103 31020 1 . PHE 104 104 31020 1 . GLU 105 105 31020 1 . TYR 106 106 31020 1 . TRP 107 107 31020 1 . GLY 108 108 31020 1 . GLN 109 109 31020 1 . GLY 110 110 31020 1 . THR 111 111 31020 1 . GLN 112 112 31020 1 . VAL 113 113 31020 1 . THR 114 114 31020 1 . VAL 115 115 31020 1 . SER 116 116 31020 1 . SER 117 117 31020 1 . HIS 118 118 31020 1 . HIS 119 119 31020 1 . HIS 120 120 31020 1 . HIS 121 121 31020 1 . HIS 122 122 31020 1 . HIS 123 123 31020 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 31020 _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 . 32630 . . 'synthetic construct' . . . . . synthetic construct . . . . . . . . . . . . . 31020 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 31020 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 31020 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31020 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-13C; U-15N] Anti-GFP Nanobody, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Anti-GFP Nanobody' '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . . 1 . . mM . . . . 31020 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 31020 _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' 167.2 . mM 31020 1 pH 7.4 . pH 31020 1 pressure 1 . atm 31020 1 temperature 298 . K 31020 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31020 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 31020 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 31020 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31020 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 31020 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 31020 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31020 _Software.ID 3 _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' . . 31020 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 31020 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 31020 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 31020 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _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 31020 _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 Agilent DD2 . 800 . . . 31020 1 2 NMR_spectrometer_2 Agilent DD2 . 600 . . . 31020 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 31020 _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 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31020 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31020 1 3 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31020 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31020 1 5 '3D HCCONH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31020 1 6 3D-CCONH-TOCSY no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31020 1 7 '3D CCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31020 1 8 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31020 1 9 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31020 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31020 1 11 '2D HBCBCGCDCDHE' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31020 1 12 '2D HBCBCGCDCDHE' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31020 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31020 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31020 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 31020 _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 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 31020 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 31020 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 31020 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 31020 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 31020 1 2 '3D HNCACB' . . . 31020 1 3 '3D HN(COCA)CB' . . . 31020 1 4 '3D HCCH-TOCSY' . . . 31020 1 5 '3D HCCONH-TOCSY' . . . 31020 1 6 3D-CCONH-TOCSY . . . 31020 1 7 '3D CCH-TOCSY' . . . 31020 1 8 '2D 1H-13C HSQC aliphatic' . . . 31020 1 9 '2D 1H-13C HSQC aromatic' . . . 31020 1 10 '2D 1H-15N HSQC' . . . 31020 1 11 '2D HBCBCGCDCDHE' . . . 31020 1 12 '2D HBCBCGCDCDHE' . . . 31020 1 13 '3D 1H-13C NOESY' . . . 31020 1 14 '3D 1H-15N NOESY' . . . 31020 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 3 3 GLN HA H 1 4.3460 0.0000 . 1 . . 37703 . A 3 GLN HA . 31020 1 2 . 1 . 1 3 3 GLN HB2 H 1 1.9990 0.0000 . 2 . . 37724 . A 3 GLN HB2 . 31020 1 3 . 1 . 1 3 3 GLN HG2 H 1 2.3480 0.0000 . 2 . . 37721 . A 3 GLN HG2 . 31020 1 4 . 1 . 1 3 3 GLN CA C 13 55.6871 0.0000 . 1 . . 13705 . A 3 GLN CA . 31020 1 5 . 1 . 1 3 3 GLN CB C 13 29.5644 0.0000 . 1 . . 12913 . A 3 GLN CB . 31020 1 6 . 1 . 1 3 3 GLN CG C 13 33.5850 0.0000 . 1 . . 45977 . A 3 GLN CG . 31020 1 7 . 1 . 1 4 4 VAL H H 1 7.6869 0.0000 . 1 . . 14404 . A 4 VAL H . 31020 1 8 . 1 . 1 4 4 VAL HA H 1 4.3260 0.0000 . 1 . . 37667 . A 4 VAL HA . 31020 1 9 . 1 . 1 4 4 VAL HB H 1 0.7098 0.0000 . 1 . . . . A 4 VAL HB . 31020 1 10 . 1 . 1 4 4 VAL HG11 H 1 0.4666 0.0000 . 2 . . 37688 . A 4 VAL HG11 . 31020 1 11 . 1 . 1 4 4 VAL HG12 H 1 0.4666 0.0000 . 2 . . 37688 . A 4 VAL HG12 . 31020 1 12 . 1 . 1 4 4 VAL HG13 H 1 0.4666 0.0000 . 2 . . 37688 . A 4 VAL HG13 . 31020 1 13 . 1 . 1 4 4 VAL HG21 H 1 0.0635 0.0000 . 2 . . 37685 . A 4 VAL HG21 . 31020 1 14 . 1 . 1 4 4 VAL HG22 H 1 0.0635 0.0000 . 2 . . 37685 . A 4 VAL HG22 . 31020 1 15 . 1 . 1 4 4 VAL HG23 H 1 0.0635 0.0000 . 2 . . 37685 . A 4 VAL HG23 . 31020 1 16 . 1 . 1 4 4 VAL CA C 13 62.3321 0.0000 . 1 . . 11974 . A 4 VAL CA . 31020 1 17 . 1 . 1 4 4 VAL CB C 13 32.3154 0.0000 . 1 . . 11998 . A 4 VAL CB . 31020 1 18 . 1 . 1 4 4 VAL CG1 C 13 21.1944 0.0000 . 2 . . 45947 . A 4 VAL CG1 . 31020 1 19 . 1 . 1 4 4 VAL CG2 C 13 20.9401 0.0000 . 2 . . . . A 4 VAL CG2 . 31020 1 20 . 1 . 1 4 4 VAL N N 15 123.4560 0.0000 . 1 . . 14405 . A 4 VAL N . 31020 1 21 . 1 . 1 5 5 GLN H H 1 8.3269 0.0000 . 1 . . 11946 . A 5 GLN H . 31020 1 22 . 1 . 1 5 5 GLN HA H 1 4.5600 0.0000 . 1 . . 37664 . A 5 GLN HA . 31020 1 23 . 1 . 1 5 5 GLN HB2 H 1 1.8970 0.0000 . 2 . . 37679 . A 5 GLN HB2 . 31020 1 24 . 1 . 1 5 5 GLN HG2 H 1 2.2300 0.0000 . 2 . . 37676 . A 5 GLN HG2 . 31020 1 25 . 1 . 1 5 5 GLN CA C 13 55.2103 0.0000 . 1 . . 11953 . A 5 GLN CA . 31020 1 26 . 1 . 1 5 5 GLN CB C 13 33.1866 0.0000 . 1 . . 11962 . A 5 GLN CB . 31020 1 27 . 1 . 1 5 5 GLN CG C 13 34.0860 0.0000 . 1 . . 45938 . A 5 GLN CG . 31020 1 28 . 1 . 1 5 5 GLN N N 15 124.3876 0.0000 . 1 . . 11948 . A 5 GLN N . 31020 1 29 . 1 . 1 6 6 LEU H H 1 8.4731 0.0000 . 1 . . 11958 . A 6 LEU H . 31020 1 30 . 1 . 1 6 6 LEU HA H 1 4.7850 0.0000 . 1 . . 37823 . A 6 LEU HA . 31020 1 31 . 1 . 1 6 6 LEU HB2 H 1 1.5100 0.0000 . 2 . . . . A 6 LEU HB2 . 31020 1 32 . 1 . 1 6 6 LEU HG H 1 1.3600 0.0000 . 1 . . . . A 6 LEU HG . 31020 1 33 . 1 . 1 6 6 LEU HD11 H 1 0.5504 0.0000 . 2 . . . . A 6 LEU HD11 . 31020 1 34 . 1 . 1 6 6 LEU HD12 H 1 0.5504 0.0000 . 2 . . . . A 6 LEU HD12 . 31020 1 35 . 1 . 1 6 6 LEU HD13 H 1 0.5504 0.0000 . 2 . . . . A 6 LEU HD13 . 31020 1 36 . 1 . 1 6 6 LEU HD21 H 1 0.7835 0.0000 . 2 . . . . A 6 LEU HD21 . 31020 1 37 . 1 . 1 6 6 LEU HD22 H 1 0.7835 0.0000 . 2 . . . . A 6 LEU HD22 . 31020 1 38 . 1 . 1 6 6 LEU HD23 H 1 0.7835 0.0000 . 2 . . . . A 6 LEU HD23 . 31020 1 39 . 1 . 1 6 6 LEU CA C 13 54.0615 0.0000 . 1 . . 11950 . A 6 LEU CA . 31020 1 40 . 1 . 1 6 6 LEU CB C 13 44.8272 0.0000 . 1 . . 11956 . A 6 LEU CB . 31020 1 41 . 1 . 1 6 6 LEU CG C 13 27.6790 0.0000 . 1 . . 46097 . A 6 LEU CG . 31020 1 42 . 1 . 1 6 6 LEU CD1 C 13 26.0549 0.0000 . 2 . . . . A 6 LEU CD1 . 31020 1 43 . 1 . 1 6 6 LEU CD2 C 13 24.3025 0.0000 . 2 . . . . A 6 LEU CD2 . 31020 1 44 . 1 . 1 6 6 LEU N N 15 124.3637 0.0000 . 1 . . 11960 . A 6 LEU N . 31020 1 45 . 1 . 1 7 7 VAL H H 1 8.0438 0.0000 . 1 . . 15405 . A 7 VAL H . 31020 1 46 . 1 . 1 7 7 VAL HA H 1 4.5690 0.0000 . 1 . . 37460 . A 7 VAL HA . 31020 1 47 . 1 . 1 7 7 VAL HB H 1 2.1160 0.0000 . 1 . . 37463 . A 7 VAL HB . 31020 1 48 . 1 . 1 7 7 VAL HG11 H 1 0.9438 0.0000 . 2 . . 37466 . A 7 VAL HG11 . 31020 1 49 . 1 . 1 7 7 VAL HG12 H 1 0.9438 0.0000 . 2 . . 37466 . A 7 VAL HG12 . 31020 1 50 . 1 . 1 7 7 VAL HG13 H 1 0.9438 0.0000 . 2 . . 37466 . A 7 VAL HG13 . 31020 1 51 . 1 . 1 7 7 VAL HG21 H 1 0.9809 0.0000 . 2 . . . . A 7 VAL HG21 . 31020 1 52 . 1 . 1 7 7 VAL HG22 H 1 0.9809 0.0000 . 2 . . . . A 7 VAL HG22 . 31020 1 53 . 1 . 1 7 7 VAL HG23 H 1 0.9809 0.0000 . 2 . . . . A 7 VAL HG23 . 31020 1 54 . 1 . 1 7 7 VAL CA C 13 61.8509 0.0000 . 1 . . 15406 . A 7 VAL CA . 31020 1 55 . 1 . 1 7 7 VAL CB C 13 34.7959 0.0000 . 1 . . 15420 . A 7 VAL CB . 31020 1 56 . 1 . 1 7 7 VAL CG1 C 13 20.6367 0.0000 . 2 . . 45764 . A 7 VAL CG1 . 31020 1 57 . 1 . 1 7 7 VAL CG2 C 13 20.9395 0.0000 . 2 . . . . A 7 VAL CG2 . 31020 1 58 . 1 . 1 7 7 VAL N N 15 121.1001 0.0000 . 1 . . 15407 . A 7 VAL N . 31020 1 59 . 1 . 1 8 8 GLU H H 1 10.4434 0.0000 . 1 . . 14707 . A 8 GLU H . 31020 1 60 . 1 . 1 8 8 GLU HA H 1 5.5160 0.0000 . 1 . . 38078 . A 8 GLU HA . 31020 1 61 . 1 . 1 8 8 GLU HB2 H 1 2.0680 0.0000 . 2 . . 38084 . A 8 GLU HB2 . 31020 1 62 . 1 . 1 8 8 GLU HG2 H 1 2.8390 0.0000 . 2 . . 38081 . A 8 GLU HG2 . 31020 1 63 . 1 . 1 8 8 GLU CA C 13 57.4255 0.0000 . 1 . . 14711 . A 8 GLU CA . 31020 1 64 . 1 . 1 8 8 GLU CB C 13 30.2490 0.0000 . 1 . . 47656 . A 8 GLU CB . 31020 1 65 . 1 . 1 8 8 GLU CG C 13 37.2270 0.0000 . 1 . . 46391 . A 8 GLU CG . 31020 1 66 . 1 . 1 8 8 GLU N N 15 133.2379 0.0000 . 1 . . 14709 . A 8 GLU N . 31020 1 67 . 1 . 1 9 9 SER H H 1 9.6926 0.0000 . 1 . . 12441 . A 9 SER H . 31020 1 68 . 1 . 1 9 9 SER HA H 1 4.8010 0.0000 . 1 . . 38201 . A 9 SER HA . 31020 1 69 . 1 . 1 9 9 SER HB2 H 1 3.9270 0.0000 . 2 . . 38204 . A 9 SER HB2 . 31020 1 70 . 1 . 1 9 9 SER HB3 H 1 3.8600 0.0000 . 2 . . . . A 9 SER HB3 . 31020 1 71 . 1 . 1 9 9 SER CA C 13 58.0222 0.0000 . 1 . . 12445 . A 9 SER CA . 31020 1 72 . 1 . 1 9 9 SER CB C 13 65.9977 0.0000 . 1 . . 12442 . A 9 SER CB . 31020 1 73 . 1 . 1 9 9 SER N N 15 115.3890 0.0000 . 1 . . 12443 . A 9 SER N . 31020 1 74 . 1 . 1 10 10 GLY H H 1 8.7055 0.0000 . 1 . . 12603 . A 10 GLY H . 31020 1 75 . 1 . 1 10 10 GLY HA2 H 1 4.6850 0.0000 . 2 . . 38186 . A 10 GLY HA2 . 31020 1 76 . 1 . 1 10 10 GLY HA3 H 1 3.6760 0.0000 . 2 . . 38189 . A 10 GLY HA3 . 31020 1 77 . 1 . 1 10 10 GLY CA C 13 44.7410 0.0000 . 1 . . 13969 . A 10 GLY CA . 31020 1 78 . 1 . 1 10 10 GLY N N 15 107.5591 0.0000 . 1 . . 12605 . A 10 GLY N . 31020 1 79 . 1 . 1 11 11 GLY H H 1 7.9734 0.0000 . 1 . . 14334 . A 11 GLY H . 31020 1 80 . 1 . 1 11 11 GLY HA2 H 1 3.9210 0.0000 . 2 . . 37691 . A 11 GLY HA2 . 31020 1 81 . 1 . 1 11 11 GLY HA3 H 1 3.3260 0.0000 . 2 . . 37694 . A 11 GLY HA3 . 31020 1 82 . 1 . 1 11 11 GLY CA C 13 47.3130 0.0000 . 1 . . 13909 . A 11 GLY CA . 31020 1 83 . 1 . 1 11 11 GLY N N 15 108.5086 0.0000 . 1 . . 14336 . A 11 GLY N . 31020 1 84 . 1 . 1 12 12 ALA H H 1 7.0159 0.0000 . 1 . . 14400 . A 12 ALA H . 31020 1 85 . 1 . 1 12 12 ALA HA H 1 4.5200 0.0000 . 1 . . . . A 12 ALA HA . 31020 1 86 . 1 . 1 12 12 ALA HB1 H 1 1.3512 0.0000 . 1 . . 37850 . A 12 ALA HB1 . 31020 1 87 . 1 . 1 12 12 ALA HB2 H 1 1.3512 0.0000 . 1 . . 37850 . A 12 ALA HB2 . 31020 1 88 . 1 . 1 12 12 ALA HB3 H 1 1.3512 0.0000 . 1 . . 37850 . A 12 ALA HB3 . 31020 1 89 . 1 . 1 12 12 ALA CA C 13 51.2051 0.0000 . 1 . . 13876 . A 12 ALA CA . 31020 1 90 . 1 . 1 12 12 ALA CB C 13 22.6237 0.0000 . 1 . . 12004 . A 12 ALA CB . 31020 1 91 . 1 . 1 12 12 ALA N N 15 123.6616 0.0000 . 1 . . 14401 . A 12 ALA N . 31020 1 92 . 1 . 1 13 13 LEU H H 1 7.8695 0.0000 . 1 . . 14442 . A 13 LEU H . 31020 1 93 . 1 . 1 13 13 LEU HA H 1 5.2670 0.0000 . 1 . . 37589 . A 13 LEU HA . 31020 1 94 . 1 . 1 13 13 LEU HB2 H 1 1.3590 0.0000 . 2 . . 37625 . A 13 LEU HB2 . 31020 1 95 . 1 . 1 13 13 LEU HG H 1 1.6550 0.0000 . 1 . . 47668 . A 13 LEU HG . 31020 1 96 . 1 . 1 13 13 LEU HD11 H 1 0.7134 0.0000 . 2 . . . . A 13 LEU HD11 . 31020 1 97 . 1 . 1 13 13 LEU HD12 H 1 0.7134 0.0000 . 2 . . . . A 13 LEU HD12 . 31020 1 98 . 1 . 1 13 13 LEU HD13 H 1 0.7134 0.0000 . 2 . . . . A 13 LEU HD13 . 31020 1 99 . 1 . 1 13 13 LEU HD21 H 1 0.7640 0.0000 . 2 . . . . A 13 LEU HD21 . 31020 1 100 . 1 . 1 13 13 LEU HD22 H 1 0.7640 0.0000 . 2 . . . . A 13 LEU HD22 . 31020 1 101 . 1 . 1 13 13 LEU HD23 H 1 0.7640 0.0000 . 2 . . . . A 13 LEU HD23 . 31020 1 102 . 1 . 1 13 13 LEU CA C 13 54.6220 0.0000 . 1 . . 12172 . A 13 LEU CA . 31020 1 103 . 1 . 1 13 13 LEU CB C 13 42.4404 0.0000 . 1 . . 12181 . A 13 LEU CB . 31020 1 104 . 1 . 1 13 13 LEU CG C 13 27.3690 0.0000 . 1 . . 47662 . A 13 LEU CG . 31020 1 105 . 1 . 1 13 13 LEU CD1 C 13 25.4473 0.0000 . 2 . . 45893 . A 13 LEU CD1 . 31020 1 106 . 1 . 1 13 13 LEU CD2 C 13 24.3279 0.0000 . 2 . . 47665 . A 13 LEU CD2 . 31020 1 107 . 1 . 1 13 13 LEU N N 15 120.8400 0.0000 . 1 . . 14443 . A 13 LEU N . 31020 1 108 . 1 . 1 14 14 VAL H H 1 9.2065 0.0000 . 1 . . 11883 . A 14 VAL H . 31020 1 109 . 1 . 1 14 14 VAL HA H 1 4.5400 0.0000 . 1 . . 37784 . A 14 VAL HA . 31020 1 110 . 1 . 1 14 14 VAL HB H 1 1.9340 0.0000 . 1 . . 37796 . A 14 VAL HB . 31020 1 111 . 1 . 1 14 14 VAL HG11 H 1 0.7946 0.0000 . 2 . . . . A 14 VAL HG11 . 31020 1 112 . 1 . 1 14 14 VAL HG12 H 1 0.7946 0.0000 . 2 . . . . A 14 VAL HG12 . 31020 1 113 . 1 . 1 14 14 VAL HG13 H 1 0.7946 0.0000 . 2 . . . . A 14 VAL HG13 . 31020 1 114 . 1 . 1 14 14 VAL HG21 H 1 0.8807 0.0000 . 2 . . . . A 14 VAL HG21 . 31020 1 115 . 1 . 1 14 14 VAL HG22 H 1 0.8807 0.0000 . 2 . . . . A 14 VAL HG22 . 31020 1 116 . 1 . 1 14 14 VAL HG23 H 1 0.8807 0.0000 . 2 . . . . A 14 VAL HG23 . 31020 1 117 . 1 . 1 14 14 VAL CA C 13 59.6910 0.0000 . 1 . . 13528 . A 14 VAL CA . 31020 1 118 . 1 . 1 14 14 VAL CB C 13 35.8350 0.0000 . 1 . . 11887 . A 14 VAL CB . 31020 1 119 . 1 . 1 14 14 VAL CG1 C 13 21.1830 0.0000 . 2 . . . . A 14 VAL CG1 . 31020 1 120 . 1 . 1 14 14 VAL CG2 C 13 21.8743 0.0000 . 2 . . . . A 14 VAL CG2 . 31020 1 121 . 1 . 1 14 14 VAL N N 15 125.7164 0.0000 . 1 . . 11885 . A 14 VAL N . 31020 1 122 . 1 . 1 15 15 GLN H H 1 8.2241 0.0000 . 1 . . 12099 . A 15 GLN H . 31020 1 123 . 1 . 1 15 15 GLN HA H 1 4.6700 0.0000 . 1 . . . . A 15 GLN HA . 31020 1 124 . 1 . 1 15 15 GLN HB2 H 1 2.0190 0.0000 . 2 . . . . A 15 GLN HB2 . 31020 1 125 . 1 . 1 15 15 GLN HB3 H 1 1.8339 0.0000 . 2 . . . . A 15 GLN HB3 . 31020 1 126 . 1 . 1 15 15 GLN HG2 H 1 2.3700 0.0000 . 2 . . . . A 15 GLN HG2 . 31020 1 127 . 1 . 1 15 15 GLN CA C 13 53.8229 0.0000 . 1 . . 13810 . A 15 GLN CA . 31020 1 128 . 1 . 1 15 15 GLN CB C 13 28.1033 0.0000 . 1 . . 12100 . A 15 GLN CB . 31020 1 129 . 1 . 1 15 15 GLN CG C 13 33.7600 0.0000 . 1 . . . . A 15 GLN CG . 31020 1 130 . 1 . 1 15 15 GLN N N 15 122.0623 0.0000 . 1 . . 12101 . A 15 GLN N . 31020 1 131 . 1 . 1 16 16 PRO HA H 1 3.8800 0.0000 . 1 . . . . A 16 PRO HA . 31020 1 132 . 1 . 1 16 16 PRO HB2 H 1 2.1600 0.0000 . 2 . . . . A 16 PRO HB2 . 31020 1 133 . 1 . 1 16 16 PRO CA C 13 63.6000 0.0000 . 1 . . . . A 16 PRO CA . 31020 1 134 . 1 . 1 16 16 PRO CB C 13 31.6000 0.0000 . 1 . . . . A 16 PRO CB . 31020 1 135 . 1 . 1 17 17 GLY HA2 H 1 4.4080 0.0000 . 2 . . 38180 . A 17 GLY HA2 . 31020 1 136 . 1 . 1 17 17 GLY HA3 H 1 3.5360 0.0000 . 2 . . 38183 . A 17 GLY HA3 . 31020 1 137 . 1 . 1 17 17 GLY CA C 13 44.9459 0.0000 . 1 . . 16743 . A 17 GLY CA . 31020 1 138 . 1 . 1 18 18 GLY H H 1 9.0908 0.0000 . 1 . . 14328 . A 18 GLY H . 31020 1 139 . 1 . 1 18 18 GLY HA2 H 1 4.3060 0.0000 . 2 . . 38171 . A 18 GLY HA2 . 31020 1 140 . 1 . 1 18 18 GLY HA3 H 1 3.7280 0.0000 . 2 . . 38177 . A 18 GLY HA3 . 31020 1 141 . 1 . 1 18 18 GLY CA C 13 44.6697 0.0000 . 1 . . 12586 . A 18 GLY CA . 31020 1 142 . 1 . 1 18 18 GLY N N 15 111.7123 0.0000 . 1 . . 14330 . A 18 GLY N . 31020 1 143 . 1 . 1 19 19 SER H H 1 7.9301 0.0000 . 1 . . 12579 . A 19 SER H . 31020 1 144 . 1 . 1 19 19 SER HA H 1 4.3450 0.0000 . 1 . . 37751 . A 19 SER HA . 31020 1 145 . 1 . 1 19 19 SER HB2 H 1 2.3690 0.0000 . 2 . . 37766 . A 19 SER HB2 . 31020 1 146 . 1 . 1 19 19 SER HB3 H 1 3.7620 0.0000 . 2 . . 37754 . A 19 SER HB3 . 31020 1 147 . 1 . 1 19 19 SER CA C 13 56.5604 0.0000 . 1 . . 12568 . A 19 SER CA . 31020 1 148 . 1 . 1 19 19 SER CB C 13 67.1617 0.0000 . 1 . . 12559 . A 19 SER CB . 31020 1 149 . 1 . 1 19 19 SER N N 15 110.1299 0.0000 . 1 . . 12581 . A 19 SER N . 31020 1 150 . 1 . 1 20 20 LEU H H 1 8.7488 0.0000 . 1 . . 12066 . A 20 LEU H . 31020 1 151 . 1 . 1 20 20 LEU HA H 1 4.3850 0.0000 . 1 . . 37700 . A 20 LEU HA . 31020 1 152 . 1 . 1 20 20 LEU HB2 H 1 1.3000 0.0000 . 2 . . . . A 20 LEU HB2 . 31020 1 153 . 1 . 1 20 20 LEU HB3 H 1 1.2700 0.0000 . 2 . . . . A 20 LEU HB3 . 31020 1 154 . 1 . 1 20 20 LEU HG H 1 1.2600 0.0000 . 1 . . . . A 20 LEU HG . 31020 1 155 . 1 . 1 20 20 LEU HD11 H 1 0.8284 0.0000 . 2 . . . . A 20 LEU HD11 . 31020 1 156 . 1 . 1 20 20 LEU HD12 H 1 0.8284 0.0000 . 2 . . . . A 20 LEU HD12 . 31020 1 157 . 1 . 1 20 20 LEU HD13 H 1 0.8284 0.0000 . 2 . . . . A 20 LEU HD13 . 31020 1 158 . 1 . 1 20 20 LEU HD21 H 1 0.7962 0.0000 . 2 . . . . A 20 LEU HD21 . 31020 1 159 . 1 . 1 20 20 LEU HD22 H 1 0.7962 0.0000 . 2 . . . . A 20 LEU HD22 . 31020 1 160 . 1 . 1 20 20 LEU HD23 H 1 0.7962 0.0000 . 2 . . . . A 20 LEU HD23 . 31020 1 161 . 1 . 1 20 20 LEU CA C 13 54.6483 0.0000 . 1 . . 12076 . A 20 LEU CA . 31020 1 162 . 1 . 1 20 20 LEU CB C 13 47.9650 0.0000 . 1 . . 12085 . A 20 LEU CB . 31020 1 163 . 1 . 1 20 20 LEU CG C 13 27.0700 0.0000 . 1 . . . . A 20 LEU CG . 31020 1 164 . 1 . 1 20 20 LEU CD1 C 13 24.9532 0.0000 . 2 . . . . A 20 LEU CD1 . 31020 1 165 . 1 . 1 20 20 LEU CD2 C 13 25.8678 0.0000 . 2 . . . . A 20 LEU CD2 . 31020 1 166 . 1 . 1 20 20 LEU N N 15 122.1830 0.0000 . 1 . . 12068 . A 20 LEU N . 31020 1 167 . 1 . 1 21 21 ARG H H 1 8.1720 0.0000 . 1 . . 11994 . A 21 ARG H . 31020 1 168 . 1 . 1 21 21 ARG HA H 1 4.8600 0.0000 . 1 . . 47674 . A 21 ARG HA . 31020 1 169 . 1 . 1 21 21 ARG HB2 H 1 1.6760 0.0000 . 2 . . 47677 . A 21 ARG HB2 . 31020 1 170 . 1 . 1 21 21 ARG HG2 H 1 1.3040 0.0000 . 2 . . 47680 . A 21 ARG HG2 . 31020 1 171 . 1 . 1 21 21 ARG HD2 H 1 2.8550 0.0000 . 2 . . 37556 . A 21 ARG HD2 . 31020 1 172 . 1 . 1 21 21 ARG CA C 13 54.6484 0.0000 . 1 . . 11980 . A 21 ARG CA . 31020 1 173 . 1 . 1 21 21 ARG CB C 13 32.3309 0.0000 . 1 . . 11995 . A 21 ARG CB . 31020 1 174 . 1 . 1 21 21 ARG CG C 13 27.7190 0.0000 . 1 . . 47671 . A 21 ARG CG . 31020 1 175 . 1 . 1 21 21 ARG CD C 13 43.2410 0.0000 . 1 . . 45818 . A 21 ARG CD . 31020 1 176 . 1 . 1 21 21 ARG N N 15 123.5624 0.0000 . 1 . . 11996 . A 21 ARG N . 31020 1 177 . 1 . 1 22 22 LEU H H 1 8.7686 0.0000 . 1 . . 11847 . A 22 LEU H . 31020 1 178 . 1 . 1 22 22 LEU HA H 1 4.8740 0.0000 . 1 . . 38108 . A 22 LEU HA . 31020 1 179 . 1 . 1 22 22 LEU HB2 H 1 1.1990 0.0000 . 2 . . 38111 . A 22 LEU HB2 . 31020 1 180 . 1 . 1 22 22 LEU HB3 H 1 1.0950 0.0000 . 2 . . . . A 22 LEU HB3 . 31020 1 181 . 1 . 1 22 22 LEU HG H 1 1.2200 0.0000 . 1 . . . . A 22 LEU HG . 31020 1 182 . 1 . 1 22 22 LEU HD11 H 1 0.2815 0.0000 . 2 . . . . A 22 LEU HD11 . 31020 1 183 . 1 . 1 22 22 LEU HD12 H 1 0.2815 0.0000 . 2 . . . . A 22 LEU HD12 . 31020 1 184 . 1 . 1 22 22 LEU HD13 H 1 0.2815 0.0000 . 2 . . . . A 22 LEU HD13 . 31020 1 185 . 1 . 1 22 22 LEU HD21 H 1 0.0292 0.0000 . 2 . . . . A 22 LEU HD21 . 31020 1 186 . 1 . 1 22 22 LEU HD22 H 1 0.0292 0.0000 . 2 . . . . A 22 LEU HD22 . 31020 1 187 . 1 . 1 22 22 LEU HD23 H 1 0.0292 0.0000 . 2 . . . . A 22 LEU HD23 . 31020 1 188 . 1 . 1 22 22 LEU CA C 13 53.2279 0.0000 . 1 . . 11830 . A 22 LEU CA . 31020 1 189 . 1 . 1 22 22 LEU CB C 13 43.1011 0.0000 . 1 . . 12631 . A 22 LEU CB . 31020 1 190 . 1 . 1 22 22 LEU CG C 13 26.1580 0.0000 . 1 . . 46421 . A 22 LEU CG . 31020 1 191 . 1 . 1 22 22 LEU CD1 C 13 20.6926 0.0000 . 2 . . . . A 22 LEU CD1 . 31020 1 192 . 1 . 1 22 22 LEU CD2 C 13 26.3391 0.0000 . 2 . . . . A 22 LEU CD2 . 31020 1 193 . 1 . 1 22 22 LEU N N 15 126.9804 0.0000 . 1 . . 11849 . A 22 LEU N . 31020 1 194 . 1 . 1 23 23 SER H H 1 8.8044 0.0000 . 1 . . 13269 . A 23 SER H . 31020 1 195 . 1 . 1 23 23 SER HA H 1 5.4860 0.0000 . 1 . . 37781 . A 23 SER HA . 31020 1 196 . 1 . 1 23 23 SER HB2 H 1 3.7000 0.0000 . 2 . . 37790 . A 23 SER HB2 . 31020 1 197 . 1 . 1 23 23 SER HB3 H 1 3.7990 0.0000 . 2 . . . . A 23 SER HB3 . 31020 1 198 . 1 . 1 23 23 SER CA C 13 56.6709 0.0000 . 1 . . 13696 . A 23 SER CA . 31020 1 199 . 1 . 1 23 23 SER CB C 13 67.1194 0.0000 . 1 . . 12487 . A 23 SER CB . 31020 1 200 . 1 . 1 23 23 SER N N 15 113.8969 0.0000 . 1 . . 13271 . A 23 SER N . 31020 1 201 . 1 . 1 24 24 CYS H H 1 9.3926 0.0000 . 1 . . 12105 . A 24 CYS H . 31020 1 202 . 1 . 1 24 24 CYS HA H 1 5.1090 0.0000 . 1 . . 47683 . A 24 CYS HA . 31020 1 203 . 1 . 1 24 24 CYS HB2 H 1 2.7510 0.0000 . 2 . . 37475 . A 24 CYS HB2 . 31020 1 204 . 1 . 1 24 24 CYS HB3 H 1 2.5210 0.0000 . 2 . . 37478 . A 24 CYS HB3 . 31020 1 205 . 1 . 1 24 24 CYS CA C 13 57.6067 0.0000 . 1 . . 12073 . A 24 CYS CA . 31020 1 206 . 1 . 1 24 24 CYS CB C 13 29.1778 0.0000 . 1 . . 12097 . A 24 CYS CB . 31020 1 207 . 1 . 1 24 24 CYS N N 15 121.9437 0.0000 . 1 . . 12107 . A 24 CYS N . 31020 1 208 . 1 . 1 25 25 ALA H H 1 8.3041 0.0000 . 1 . . 11748 . A 25 ALA H . 31020 1 209 . 1 . 1 25 25 ALA HA H 1 4.6400 0.0000 . 1 . . 37514 . A 25 ALA HA . 31020 1 210 . 1 . 1 25 25 ALA HB1 H 1 1.3816 0.0000 . 1 . . 37526 . A 25 ALA HB1 . 31020 1 211 . 1 . 1 25 25 ALA HB2 H 1 1.3816 0.0000 . 1 . . 37526 . A 25 ALA HB2 . 31020 1 212 . 1 . 1 25 25 ALA HB3 H 1 1.3816 0.0000 . 1 . . 37526 . A 25 ALA HB3 . 31020 1 213 . 1 . 1 25 25 ALA CA C 13 51.6434 0.0000 . 1 . . 11746 . A 25 ALA CA . 31020 1 214 . 1 . 1 25 25 ALA CB C 13 19.4176 0.0000 . 1 . . 11749 . A 25 ALA CB . 31020 1 215 . 1 . 1 25 25 ALA N N 15 132.3242 0.0000 . 1 . . 11750 . A 25 ALA N . 31020 1 216 . 1 . 1 26 26 ALA H H 1 8.2481 0.0000 . 1 . . 11784 . A 26 ALA H . 31020 1 217 . 1 . 1 26 26 ALA HA H 1 5.2295 0.0000 . 1 . . . . A 26 ALA HA . 31020 1 218 . 1 . 1 26 26 ALA HB1 H 1 0.9050 0.0000 . 1 . . 38006 . A 26 ALA HB1 . 31020 1 219 . 1 . 1 26 26 ALA HB2 H 1 0.9050 0.0000 . 1 . . 38006 . A 26 ALA HB2 . 31020 1 220 . 1 . 1 26 26 ALA HB3 H 1 0.9050 0.0000 . 1 . . 38006 . A 26 ALA HB3 . 31020 1 221 . 1 . 1 26 26 ALA CA C 13 50.4859 0.0000 . 1 . . 11779 . A 26 ALA CA . 31020 1 222 . 1 . 1 26 26 ALA CB C 13 22.2867 0.0000 . 1 . . 11782 . A 26 ALA CB . 31020 1 223 . 1 . 1 26 26 ALA N N 15 128.9461 0.0000 . 1 . . 11786 . A 26 ALA N . 31020 1 224 . 1 . 1 27 27 SER H H 1 9.0085 0.0000 . 1 . . 12333 . A 27 SER H . 31020 1 225 . 1 . 1 27 27 SER HA H 1 4.7700 0.0000 . 1 . . 38165 . A 27 SER HA . 31020 1 226 . 1 . 1 27 27 SER HB2 H 1 3.8000 0.0000 . 2 . . 38174 . A 27 SER HB2 . 31020 1 227 . 1 . 1 27 27 SER HB3 H 1 3.7300 0.0000 . 2 . . . . A 27 SER HB3 . 31020 1 228 . 1 . 1 27 27 SER CA C 13 57.3780 0.0000 . 1 . . 12334 . A 27 SER CA . 31020 1 229 . 1 . 1 27 27 SER CB C 13 65.4210 0.0000 . 1 . . 12328 . A 27 SER CB . 31020 1 230 . 1 . 1 27 27 SER N N 15 117.2999 0.0000 . 1 . . 12335 . A 27 SER N . 31020 1 231 . 1 . 1 28 28 GLY H H 1 8.7281 0.0000 . 1 . . 13353 . A 28 GLY H . 31020 1 232 . 1 . 1 28 28 GLY HA2 H 1 4.4690 0.0000 . 2 . . 38057 . A 28 GLY HA2 . 31020 1 233 . 1 . 1 28 28 GLY HA3 H 1 3.5350 0.0000 . 2 . . 38066 . A 28 GLY HA3 . 31020 1 234 . 1 . 1 28 28 GLY CA C 13 45.3034 0.0000 . 1 . . 13954 . A 28 GLY CA . 31020 1 235 . 1 . 1 28 28 GLY N N 15 110.0156 0.0000 . 1 . . 13355 . A 28 GLY N . 31020 1 236 . 1 . 1 29 29 PHE H H 1 7.2491 0.0000 . 1 . . 13944 . A 29 PHE H . 31020 1 237 . 1 . 1 29 29 PHE HA H 1 4.9400 0.0000 . 1 . . . . A 29 PHE HA . 31020 1 238 . 1 . 1 29 29 PHE HB2 H 1 2.7300 0.0000 . 2 . . . . A 29 PHE HB2 . 31020 1 239 . 1 . 1 29 29 PHE HB3 H 1 2.9559 0.0000 . 2 . . . . A 29 PHE HB3 . 31020 1 240 . 1 . 1 29 29 PHE HD1 H 1 6.7961 0.0000 . 3 . . . . A 29 PHE HD1 . 31020 1 241 . 1 . 1 29 29 PHE HE1 H 1 6.9641 0.0000 . 3 . . . . A 29 PHE HE1 . 31020 1 242 . 1 . 1 29 29 PHE CA C 13 54.6580 0.0000 . 1 . . 12412 . A 29 PHE CA . 31020 1 243 . 1 . 1 29 29 PHE CB C 13 38.0646 0.0000 . 1 . . 12430 . A 29 PHE CB . 31020 1 244 . 1 . 1 29 29 PHE CD1 C 13 132.9319 0.0000 . 3 . . . . A 29 PHE CD1 . 31020 1 245 . 1 . 1 29 29 PHE CE1 C 13 133.6062 0.0000 . 3 . . . . A 29 PHE CE1 . 31020 1 246 . 1 . 1 29 29 PHE N N 15 115.9559 0.0000 . 1 . . 13946 . A 29 PHE N . 31020 1 247 . 1 . 1 30 30 PRO HA H 1 4.9210 0.0000 . 1 . . 37889 . A 30 PRO HA . 31020 1 248 . 1 . 1 30 30 PRO CA C 13 60.8726 0.0000 . 1 . . 12223 . A 30 PRO CA . 31020 1 249 . 1 . 1 30 30 PRO CB C 13 31.3847 0.0000 . 1 . . 12235 . A 30 PRO CB . 31020 1 250 . 1 . 1 30 30 PRO CG C 13 27.4610 0.0000 . 1 . . 46193 . A 30 PRO CG . 31020 1 251 . 1 . 1 31 31 VAL H H 1 8.7479 0.0000 . 1 . . 12234 . A 31 VAL H . 31020 1 252 . 1 . 1 31 31 VAL HA H 1 4.1000 0.0000 . 1 . . . . A 31 VAL HA . 31020 1 253 . 1 . 1 31 31 VAL HB H 1 2.1600 0.0000 . 1 . . . . A 31 VAL HB . 31020 1 254 . 1 . 1 31 31 VAL HG11 H 1 0.9005 0.0000 . 2 . . . . A 31 VAL HG11 . 31020 1 255 . 1 . 1 31 31 VAL HG12 H 1 0.9005 0.0000 . 2 . . . . A 31 VAL HG12 . 31020 1 256 . 1 . 1 31 31 VAL HG13 H 1 0.9005 0.0000 . 2 . . . . A 31 VAL HG13 . 31020 1 257 . 1 . 1 31 31 VAL HG21 H 1 0.5261 0.0000 . 2 . . . . A 31 VAL HG21 . 31020 1 258 . 1 . 1 31 31 VAL HG22 H 1 0.5261 0.0000 . 2 . . . . A 31 VAL HG22 . 31020 1 259 . 1 . 1 31 31 VAL HG23 H 1 0.5261 0.0000 . 2 . . . . A 31 VAL HG23 . 31020 1 260 . 1 . 1 31 31 VAL CA C 13 63.7923 0.0000 . 1 . . 12709 . A 31 VAL CA . 31020 1 261 . 1 . 1 31 31 VAL CB C 13 31.6179 0.0000 . 1 . . 13297 . A 31 VAL CB . 31020 1 262 . 1 . 1 31 31 VAL CG1 C 13 18.7596 0.0000 . 2 . . . . A 31 VAL CG1 . 31020 1 263 . 1 . 1 31 31 VAL CG2 C 13 21.8768 0.0000 . 2 . . . . A 31 VAL CG2 . 31020 1 264 . 1 . 1 31 31 VAL N N 15 119.6850 0.0000 . 1 . . 12236 . A 31 VAL N . 31020 1 265 . 1 . 1 32 32 ASN H H 1 7.8491 0.0000 . 1 . . 12708 . A 32 ASN H . 31020 1 266 . 1 . 1 32 32 ASN HA H 1 4.4740 0.0000 . 1 . . 38099 . A 32 ASN HA . 31020 1 267 . 1 . 1 32 32 ASN HB2 H 1 3.2140 0.0000 . 2 . . 38102 . A 32 ASN HB2 . 31020 1 268 . 1 . 1 32 32 ASN HB3 H 1 2.7530 0.0000 . 2 . . 38105 . A 32 ASN HB3 . 31020 1 269 . 1 . 1 32 32 ASN HD21 H 1 6.5124 0.0000 . 2 . . . . A 32 ASN HD21 . 31020 1 270 . 1 . 1 32 32 ASN HD22 H 1 7.4804 0.0000 . 2 . . . . A 32 ASN HD22 . 31020 1 271 . 1 . 1 32 32 ASN CA C 13 52.6921 0.0000 . 1 . . 13840 . A 32 ASN CA . 31020 1 272 . 1 . 1 32 32 ASN CB C 13 37.3735 0.0000 . 1 . . 12523 . A 32 ASN CB . 31020 1 273 . 1 . 1 32 32 ASN N N 15 112.7832 0.0000 . 1 . . 12710 . A 32 ASN N . 31020 1 274 . 1 . 1 32 32 ASN ND2 N 15 108.8362 0.0000 . 1 . . . . A 32 ASN ND2 . 31020 1 275 . 1 . 1 33 33 ARG H H 1 7.4672 0.0000 . 1 . . 14520 . A 33 ARG H . 31020 1 276 . 1 . 1 33 33 ARG HA H 1 4.4280 0.0000 . 1 . . 38060 . A 33 ARG HA . 31020 1 277 . 1 . 1 33 33 ARG HB2 H 1 1.6770 0.0000 . 2 . . 38075 . A 33 ARG HB2 . 31020 1 278 . 1 . 1 33 33 ARG HD2 H 1 3.1210 0.0000 . 2 . . 38069 . A 33 ARG HD2 . 31020 1 279 . 1 . 1 33 33 ARG CA C 13 54.6309 0.0000 . 1 . . 12466 . A 33 ARG CA . 31020 1 280 . 1 . 1 33 33 ARG CB C 13 32.0780 0.0000 . 1 . . 12472 . A 33 ARG CB . 31020 1 281 . 1 . 1 33 33 ARG CG C 13 26.6250 0.0000 . 1 . . 46382 . A 33 ARG CG . 31020 1 282 . 1 . 1 33 33 ARG CD C 13 42.6930 0.0000 . 1 . . 46376 . A 33 ARG CD . 31020 1 283 . 1 . 1 33 33 ARG N N 15 114.6843 0.0000 . 1 . . 14521 . A 33 ARG N . 31020 1 284 . 1 . 1 34 34 TYR H H 1 7.3093 0.0000 . 1 . . 13779 . A 34 TYR H . 31020 1 285 . 1 . 1 34 34 TYR HA H 1 4.7270 0.0000 . 1 . . 47686 . A 34 TYR HA . 31020 1 286 . 1 . 1 34 34 TYR HB2 H 1 2.9460 0.0000 . 2 . . 38042 . A 34 TYR HB2 . 31020 1 287 . 1 . 1 34 34 TYR HB3 H 1 2.3000 0.0000 . 2 . . 38045 . A 34 TYR HB3 . 31020 1 288 . 1 . 1 34 34 TYR HD1 H 1 7.3449 0.0000 . 3 . . . . A 34 TYR HD1 . 31020 1 289 . 1 . 1 34 34 TYR HE1 H 1 6.8377 0.0000 . 3 . . . . A 34 TYR HE1 . 31020 1 290 . 1 . 1 34 34 TYR CA C 13 57.1931 0.0000 . 1 . . 12406 . A 34 TYR CA . 31020 1 291 . 1 . 1 34 34 TYR CB C 13 43.6731 0.0000 . 1 . . 16750 . A 34 TYR CB . 31020 1 292 . 1 . 1 34 34 TYR CD1 C 13 134.2748 0.0000 . 3 . . . . A 34 TYR CD1 . 31020 1 293 . 1 . 1 34 34 TYR CE1 C 13 117.7474 0.0000 . 3 . . . . A 34 TYR CE1 . 31020 1 294 . 1 . 1 34 34 TYR N N 15 116.0524 0.0000 . 1 . . 13781 . A 34 TYR N . 31020 1 295 . 1 . 1 35 35 SER H H 1 8.7808 0.0000 . 1 . . 12378 . A 35 SER H . 31020 1 296 . 1 . 1 35 35 SER HA H 1 4.5630 0.0000 . 1 . . 37805 . A 35 SER HA . 31020 1 297 . 1 . 1 35 35 SER HB2 H 1 3.9567 0.0000 . 2 . . 37811 . A 35 SER HB2 . 31020 1 298 . 1 . 1 35 35 SER HB3 H 1 4.0289 0.0000 . 2 . . . . A 35 SER HB3 . 31020 1 299 . 1 . 1 35 35 SER CA C 13 57.8284 0.0000 . 1 . . 13633 . A 35 SER CA . 31020 1 300 . 1 . 1 35 35 SER CB C 13 63.5854 0.0000 . 1 . . 12379 . A 35 SER CB . 31020 1 301 . 1 . 1 35 35 SER N N 15 116.4572 0.0000 . 1 . . 12380 . A 35 SER N . 31020 1 302 . 1 . 1 36 36 MET H H 1 7.8836 0.0000 . 1 . . 12114 . A 36 MET H . 31020 1 303 . 1 . 1 36 36 MET HA H 1 5.0600 0.0000 . 1 . . . . A 36 MET HA . 31020 1 304 . 1 . 1 36 36 MET HB2 H 1 2.3500 0.0000 . 2 . . . . A 36 MET HB2 . 31020 1 305 . 1 . 1 36 36 MET HG2 H 1 2.1087 0.0000 . 2 . . . . A 36 MET HG2 . 31020 1 306 . 1 . 1 36 36 MET HG3 H 1 2.1189 0.0000 . 2 . . . . A 36 MET HG3 . 31020 1 307 . 1 . 1 36 36 MET HE1 H 1 1.8661 0.0000 . 1 . . . . A 36 MET HE1 . 31020 1 308 . 1 . 1 36 36 MET HE2 H 1 1.8661 0.0000 . 1 . . . . A 36 MET HE2 . 31020 1 309 . 1 . 1 36 36 MET HE3 H 1 1.8661 0.0000 . 1 . . . . A 36 MET HE3 . 31020 1 310 . 1 . 1 36 36 MET CA C 13 54.5662 0.0000 . 1 . . 16756 . A 36 MET CA . 31020 1 311 . 1 . 1 36 36 MET CB C 13 36.0023 0.0000 . 1 . . 16760 . A 36 MET CB . 31020 1 312 . 1 . 1 36 36 MET CG C 13 33.6300 0.0000 . 1 . . . . A 36 MET CG . 31020 1 313 . 1 . 1 36 36 MET CE C 13 16.9672 0.0000 . 1 . . . . A 36 MET CE . 31020 1 314 . 1 . 1 36 36 MET N N 15 121.6062 0.0000 . 1 . . 12116 . A 36 MET N . 31020 1 315 . 1 . 1 37 37 ARG H H 1 8.2567 0.0000 . 1 . . . . A 37 ARG H . 31020 1 316 . 1 . 1 37 37 ARG N N 15 118.0072 0.0000 . 1 . . . . A 37 ARG N . 31020 1 317 . 1 . 1 38 38 TRP H H 1 9.2925 0.0000 . 1 . . . . A 38 TRP H . 31020 1 318 . 1 . 1 38 38 TRP HA H 1 5.8270 0.0000 . 1 . . 47689 . A 38 TRP HA . 31020 1 319 . 1 . 1 38 38 TRP HB2 H 1 3.2920 0.0000 . 2 . . 37757 . A 38 TRP HB2 . 31020 1 320 . 1 . 1 38 38 TRP HB3 H 1 2.8260 0.0000 . 2 . . 37763 . A 38 TRP HB3 . 31020 1 321 . 1 . 1 38 38 TRP HD1 H 1 6.9257 0.0000 . 1 . . . . A 38 TRP HD1 . 31020 1 322 . 1 . 1 38 38 TRP HE1 H 1 7.8793 0.0000 . 1 . . . . A 38 TRP HE1 . 31020 1 323 . 1 . 1 38 38 TRP CA C 13 56.3846 0.0000 . 1 . . 14089 . A 38 TRP CA . 31020 1 324 . 1 . 1 38 38 TRP CB C 13 32.7640 0.0000 . 1 . . 46031 . A 38 TRP CB . 31020 1 325 . 1 . 1 38 38 TRP CD1 C 13 125.1535 0.0000 . 1 . . . . A 38 TRP CD1 . 31020 1 326 . 1 . 1 38 38 TRP N N 15 116.6587 0.0000 . 1 . . . . A 38 TRP N . 31020 1 327 . 1 . 1 38 38 TRP NE1 N 15 122.6867 0.0000 . 1 . . . . A 38 TRP NE1 . 31020 1 328 . 1 . 1 39 39 TYR H H 1 10.5085 0.0000 . 1 . . 14418 . A 39 TYR H . 31020 1 329 . 1 . 1 39 39 TYR HA H 1 5.4500 0.0000 . 1 . . . . A 39 TYR HA . 31020 1 330 . 1 . 1 39 39 TYR HB2 H 1 3.0800 0.0000 . 2 . . 38039 . A 39 TYR HB2 . 31020 1 331 . 1 . 1 39 39 TYR HB3 H 1 2.9900 0.0000 . 2 . . . . A 39 TYR HB3 . 31020 1 332 . 1 . 1 39 39 TYR CA C 13 56.5707 0.0000 . 1 . . 13675 . A 39 TYR CA . 31020 1 333 . 1 . 1 39 39 TYR CB C 13 31.9300 0.0000 . 1 . . 46346 . A 39 TYR CB . 31020 1 334 . 1 . 1 39 39 TYR N N 15 122.4369 0.0000 . 1 . . 14419 . A 39 TYR N . 31020 1 335 . 1 . 1 40 40 ARG H H 1 9.8339 0.0000 . 1 . . 14220 . A 40 ARG H . 31020 1 336 . 1 . 1 40 40 ARG HA H 1 5.6798 0.0000 . 1 . . 47698 . A 40 ARG HA . 31020 1 337 . 1 . 1 40 40 ARG HB2 H 1 1.3640 0.0000 . 2 . . 37778 . A 40 ARG HB2 . 31020 1 338 . 1 . 1 40 40 ARG HG2 H 1 0.7990 0.0000 . 2 . . 47701 . A 40 ARG HG2 . 31020 1 339 . 1 . 1 40 40 ARG HD2 H 1 2.7480 0.0000 . 2 . . 47704 . A 40 ARG HD2 . 31020 1 340 . 1 . 1 40 40 ARG CA C 13 53.6844 0.0000 . 1 . . 12415 . A 40 ARG CA . 31020 1 341 . 1 . 1 40 40 ARG CB C 13 32.6647 0.0000 . 1 . . 12433 . A 40 ARG CB . 31020 1 342 . 1 . 1 40 40 ARG CG C 13 24.0800 0.0000 . 1 . . 47695 . A 40 ARG CG . 31020 1 343 . 1 . 1 40 40 ARG CD C 13 45.0420 0.0000 . 1 . . 47692 . A 40 ARG CD . 31020 1 344 . 1 . 1 40 40 ARG N N 15 116.1498 0.0000 . 1 . . 14222 . A 40 ARG N . 31020 1 345 . 1 . 1 41 41 GLN H H 1 9.5256 0.0000 . 1 . . 14100 . A 41 GLN H . 31020 1 346 . 1 . 1 41 41 GLN HA H 1 4.8840 0.0000 . 1 . . 38198 . A 41 GLN HA . 31020 1 347 . 1 . 1 41 41 GLN HB2 H 1 2.0900 0.0000 . 2 . . . . A 41 GLN HB2 . 31020 1 348 . 1 . 1 41 41 GLN HB3 H 1 2.2500 0.0000 . 2 . . . . A 41 GLN HB3 . 31020 1 349 . 1 . 1 41 41 GLN HG2 H 1 2.2900 0.0000 . 2 . . 38207 . A 41 GLN HG2 . 31020 1 350 . 1 . 1 41 41 GLN CA C 13 55.1805 0.0000 . 1 . . 12037 . A 41 GLN CA . 31020 1 351 . 1 . 1 41 41 GLN CB C 13 32.6305 0.0000 . 1 . . 12061 . A 41 GLN CB . 31020 1 352 . 1 . 1 41 41 GLN N N 15 122.6731 0.0000 . 1 . . 14102 . A 41 GLN N . 31020 1 353 . 1 . 1 42 42 ALA H H 1 9.6059 0.0000 . 1 . . 13383 . A 42 ALA H . 31020 1 354 . 1 . 1 42 42 ALA HA H 1 4.8241 0.0000 . 1 . . . . A 42 ALA HA . 31020 1 355 . 1 . 1 42 42 ALA HB1 H 1 1.4432 0.0000 . 1 . . . . A 42 ALA HB1 . 31020 1 356 . 1 . 1 42 42 ALA HB2 H 1 1.4432 0.0000 . 1 . . . . A 42 ALA HB2 . 31020 1 357 . 1 . 1 42 42 ALA HB3 H 1 1.4432 0.0000 . 1 . . . . A 42 ALA HB3 . 31020 1 358 . 1 . 1 42 42 ALA CA C 13 50.1483 0.0000 . 1 . . 13903 . A 42 ALA CA . 31020 1 359 . 1 . 1 42 42 ALA CB C 13 18.3030 0.0000 . 1 . . 12613 . A 42 ALA CB . 31020 1 360 . 1 . 1 42 42 ALA N N 15 107.5464 0.0000 . 1 . . 13385 . A 42 ALA N . 31020 1 361 . 1 . 1 43 43 PRO HA H 1 4.3127 0.0000 . 1 . . . . A 43 PRO HA . 31020 1 362 . 1 . 1 43 43 PRO HB2 H 1 2.2700 0.0000 . 2 . . . . A 43 PRO HB2 . 31020 1 363 . 1 . 1 43 43 PRO HB3 H 1 1.9022 0.0000 . 2 . . . . A 43 PRO HB3 . 31020 1 364 . 1 . 1 43 43 PRO HG2 H 1 2.1300 0.0000 . 2 . . . . A 43 PRO HG2 . 31020 1 365 . 1 . 1 43 43 PRO HG3 H 1 1.9900 0.0000 . 2 . . . . A 43 PRO HG3 . 31020 1 366 . 1 . 1 43 43 PRO HD2 H 1 3.8270 0.0000 . 2 . . . . A 43 PRO HD2 . 31020 1 367 . 1 . 1 43 43 PRO HD3 H 1 3.6270 0.0000 . 2 . . . . A 43 PRO HD3 . 31020 1 368 . 1 . 1 43 43 PRO CA C 13 64.2936 0.0000 . 1 . . 13282 . A 43 PRO CA . 31020 1 369 . 1 . 1 43 43 PRO CB C 13 31.7116 0.0000 . 1 . . 13282 . A 43 PRO CB . 31020 1 370 . 1 . 1 43 43 PRO CG C 13 27.9900 0.0000 . 1 . . . . A 43 PRO CG . 31020 1 371 . 1 . 1 43 43 PRO CD C 13 50.2500 0.0000 . 1 . . . . A 43 PRO CD . 31020 1 372 . 1 . 1 44 44 GLY H H 1 8.7171 0.0000 . 1 . . 13281 . A 44 GLY H . 31020 1 373 . 1 . 1 44 44 GLY HA2 H 1 4.1040 0.0000 . 2 . . 37871 . A 44 GLY HA2 . 31020 1 374 . 1 . 1 44 44 GLY HA3 H 1 3.7520 0.0000 . 2 . . 37874 . A 44 GLY HA3 . 31020 1 375 . 1 . 1 44 44 GLY CA C 13 45.8147 0.0000 . 1 . . 12520 . A 44 GLY CA . 31020 1 376 . 1 . 1 44 44 GLY N N 15 112.7064 0.0000 . 1 . . 13283 . A 44 GLY N . 31020 1 377 . 1 . 1 45 45 LYS H H 1 7.9367 0.0000 . 1 . . 13044 . A 45 LYS H . 31020 1 378 . 1 . 1 45 45 LYS HA H 1 4.7800 0.0000 . 1 . . 37934 . A 45 LYS HA . 31020 1 379 . 1 . 1 45 45 LYS HB2 H 1 2.0120 0.0000 . 2 . . 37952 . A 45 LYS HB2 . 31020 1 380 . 1 . 1 45 45 LYS HG2 H 1 1.3770 0.0000 . 2 . . 37958 . A 45 LYS HG2 . 31020 1 381 . 1 . 1 45 45 LYS HD2 H 1 1.7110 0.0000 . 2 . . 37955 . A 45 LYS HD2 . 31020 1 382 . 1 . 1 45 45 LYS HE2 H 1 3.0280 0.0000 . 2 . . 37943 . A 45 LYS HE2 . 31020 1 383 . 1 . 1 45 45 LYS CA C 13 54.5251 0.0000 . 1 . . 12202 . A 45 LYS CA . 31020 1 384 . 1 . 1 45 45 LYS CB C 13 35.5935 0.0000 . 1 . . 12214 . A 45 LYS CB . 31020 1 385 . 1 . 1 45 45 LYS CG C 13 24.7070 0.0000 . 1 . . 46262 . A 45 LYS CG . 31020 1 386 . 1 . 1 45 45 LYS CD C 13 28.6590 0.0000 . 1 . . 46253 . A 45 LYS CD . 31020 1 387 . 1 . 1 45 45 LYS CE C 13 42.0230 0.0000 . 1 . . 46241 . A 45 LYS CE . 31020 1 388 . 1 . 1 45 45 LYS N N 15 120.0513 0.0000 . 1 . . 13046 . A 45 LYS N . 31020 1 389 . 1 . 1 46 46 GLU H H 1 8.3346 0.0000 . 1 . . 14472 . A 46 GLU H . 31020 1 390 . 1 . 1 46 46 GLU HA H 1 4.3450 0.0000 . 1 . . 37751 . A 46 GLU HA . 31020 1 391 . 1 . 1 46 46 GLU HB2 H 1 2.1100 0.0000 . 2 . . . . A 46 GLU HB2 . 31020 1 392 . 1 . 1 46 46 GLU HB3 H 1 1.9275 0.0000 . 2 . . . . A 46 GLU HB3 . 31020 1 393 . 1 . 1 46 46 GLU HG2 H 1 2.3780 0.0000 . 2 . . 37766 . A 46 GLU HG2 . 31020 1 394 . 1 . 1 46 46 GLU HG3 H 1 2.3720 0.0000 . 2 . . . . A 46 GLU HG3 . 31020 1 395 . 1 . 1 46 46 GLU CA C 13 55.6774 0.0000 . 1 . . 12289 . A 46 GLU CA . 31020 1 396 . 1 . 1 46 46 GLU CB C 13 30.6142 0.0000 . 1 . . 12301 . A 46 GLU CB . 31020 1 397 . 1 . 1 46 46 GLU CG C 13 36.1680 0.0000 . 1 . . 46025 . A 46 GLU CG . 31020 1 398 . 1 . 1 46 46 GLU N N 15 118.5848 0.0000 . 1 . . 14473 . A 46 GLU N . 31020 1 399 . 1 . 1 47 47 ARG H H 1 8.7579 0.0000 . 1 . . 14420 . A 47 ARG H . 31020 1 400 . 1 . 1 47 47 ARG HA H 1 4.4060 0.0000 . 1 . . 37595 . A 47 ARG HA . 31020 1 401 . 1 . 1 47 47 ARG HB2 H 1 2.1150 0.0000 . 2 . . 37619 . A 47 ARG HB2 . 31020 1 402 . 1 . 1 47 47 ARG HG2 H 1 1.4930 0.0000 . 2 . . 37622 . A 47 ARG HG2 . 31020 1 403 . 1 . 1 47 47 ARG HD2 H 1 2.9220 0.0000 . 2 . . 47707 . A 47 ARG HD2 . 31020 1 404 . 1 . 1 47 47 ARG CA C 13 57.5278 0.0000 . 1 . . 13984 . A 47 ARG CA . 31020 1 405 . 1 . 1 47 47 ARG CB C 13 30.4366 0.0000 . 1 . . 12064 . A 47 ARG CB . 31020 1 406 . 1 . 1 47 47 ARG CG C 13 26.9640 0.0000 . 1 . . 45890 . A 47 ARG CG . 31020 1 407 . 1 . 1 47 47 ARG CD C 13 43.0030 0.0000 . 1 . . 45869 . A 47 ARG CD . 31020 1 408 . 1 . 1 47 47 ARG N N 15 122.3567 0.0000 . 1 . . 14421 . A 47 ARG N . 31020 1 409 . 1 . 1 48 48 GLU H H 1 9.6401 0.0000 . 1 . . 11868 . A 48 GLU H . 31020 1 410 . 1 . 1 48 48 GLU HA H 1 5.0450 0.0000 . 1 . . 37535 . A 48 GLU HA . 31020 1 411 . 1 . 1 48 48 GLU HB2 H 1 2.0560 0.0000 . 2 . . 47713 . A 48 GLU HB2 . 31020 1 412 . 1 . 1 48 48 GLU HG2 H 1 2.3670 0.0000 . 2 . . 37547 . A 48 GLU HG2 . 31020 1 413 . 1 . 1 48 48 GLU CA C 13 54.5724 0.0000 . 1 . . 11875 . A 48 GLU CA . 31020 1 414 . 1 . 1 48 48 GLU CB C 13 33.5922 0.0000 . 1 . . 11890 . A 48 GLU CB . 31020 1 415 . 1 . 1 48 48 GLU CG C 13 35.6680 0.0000 . 1 . . 45800 . A 48 GLU CG . 31020 1 416 . 1 . 1 48 48 GLU N N 15 125.8162 0.0000 . 1 . . 11870 . A 48 GLU N . 31020 1 417 . 1 . 1 49 49 TRP H H 1 9.0379 0.0000 . 1 . . 11820 . A 49 TRP H . 31020 1 418 . 1 . 1 49 49 TRP HA H 1 4.7850 0.0000 . 1 . . 37823 . A 49 TRP HA . 31020 1 419 . 1 . 1 49 49 TRP HB2 H 1 3.4650 0.0000 . 2 . . 37817 . A 49 TRP HB2 . 31020 1 420 . 1 . 1 49 49 TRP HB3 H 1 2.9250 0.0000 . 2 . . 37820 . A 49 TRP HB3 . 31020 1 421 . 1 . 1 49 49 TRP HD1 H 1 6.3538 0.0000 . 1 . . . . A 49 TRP HD1 . 31020 1 422 . 1 . 1 49 49 TRP HE1 H 1 11.3956 0.0000 . 1 . . . . A 49 TRP HE1 . 31020 1 423 . 1 . 1 49 49 TRP HH2 H 1 6.8729 0.0000 . 1 . . . . A 49 TRP HH2 . 31020 1 424 . 1 . 1 49 49 TRP CA C 13 59.8325 0.0000 . 1 . . 13525 . A 49 TRP CA . 31020 1 425 . 1 . 1 49 49 TRP CB C 13 27.8362 0.0000 . 1 . . 11839 . A 49 TRP CB . 31020 1 426 . 1 . 1 49 49 TRP CD1 C 13 124.8778 0.0000 . 1 . . . . A 49 TRP CD1 . 31020 1 427 . 1 . 1 49 49 TRP CH2 C 13 124.6714 0.0000 . 1 . . . . A 49 TRP CH2 . 31020 1 428 . 1 . 1 49 49 TRP N N 15 127.3857 0.0000 . 1 . . 11822 . A 49 TRP N . 31020 1 429 . 1 . 1 49 49 TRP NE1 N 15 127.1238 0.0000 . 1 . . . . A 49 TRP NE1 . 31020 1 430 . 1 . 1 50 50 VAL H H 1 8.0365 0.0000 . 1 . . 15385 . A 50 VAL H . 31020 1 431 . 1 . 1 50 50 VAL HA H 1 3.9870 0.0000 . 1 . . 47716 . A 50 VAL HA . 31020 1 432 . 1 . 1 50 50 VAL HB H 1 1.8030 0.0000 . 1 . . 38051 . A 50 VAL HB . 31020 1 433 . 1 . 1 50 50 VAL HG11 H 1 0.8675 0.0000 . 2 . . . . A 50 VAL HG11 . 31020 1 434 . 1 . 1 50 50 VAL HG12 H 1 0.8675 0.0000 . 2 . . . . A 50 VAL HG12 . 31020 1 435 . 1 . 1 50 50 VAL HG13 H 1 0.8675 0.0000 . 2 . . . . A 50 VAL HG13 . 31020 1 436 . 1 . 1 50 50 VAL HG21 H 1 0.9433 0.0000 . 2 . . . . A 50 VAL HG21 . 31020 1 437 . 1 . 1 50 50 VAL HG22 H 1 0.9433 0.0000 . 2 . . . . A 50 VAL HG22 . 31020 1 438 . 1 . 1 50 50 VAL HG23 H 1 0.9433 0.0000 . 2 . . . . A 50 VAL HG23 . 31020 1 439 . 1 . 1 50 50 VAL CA C 13 62.2631 0.0000 . 1 . . 15386 . A 50 VAL CA . 31020 1 440 . 1 . 1 50 50 VAL CB C 13 34.8792 0.0000 . 1 . . 15403 . A 50 VAL CB . 31020 1 441 . 1 . 1 50 50 VAL CG1 C 13 20.9400 0.0000 . 2 . . . . A 50 VAL CG1 . 31020 1 442 . 1 . 1 50 50 VAL CG2 C 13 22.4086 0.0000 . 2 . . . . A 50 VAL CG2 . 31020 1 443 . 1 . 1 50 50 VAL N N 15 121.4903 0.0000 . 1 . . 15387 . A 50 VAL N . 31020 1 444 . 1 . 1 51 51 ALA H H 1 7.0489 0.0000 . 1 . . 13884 . A 51 ALA H . 31020 1 445 . 1 . 1 51 51 ALA HA H 1 4.7810 0.0000 . 1 . . 47719 . A 51 ALA HA . 31020 1 446 . 1 . 1 51 51 ALA HB1 H 1 1.3132 0.0000 . 1 . . 38195 . A 51 ALA HB1 . 31020 1 447 . 1 . 1 51 51 ALA HB2 H 1 1.3132 0.0000 . 1 . . 38195 . A 51 ALA HB2 . 31020 1 448 . 1 . 1 51 51 ALA HB3 H 1 1.3132 0.0000 . 1 . . 38195 . A 51 ALA HB3 . 31020 1 449 . 1 . 1 51 51 ALA CA C 13 51.1226 0.0000 . 1 . . 13885 . A 51 ALA CA . 31020 1 450 . 1 . 1 51 51 ALA CB C 13 24.0683 0.0000 . 1 . . 12436 . A 51 ALA CB . 31020 1 451 . 1 . 1 51 51 ALA N N 15 116.2782 0.0000 . 1 . . 13886 . A 51 ALA N . 31020 1 452 . 1 . 1 52 52 GLY H H 1 9.0882 0.0000 . 1 . . 12588 . A 52 GLY H . 31020 1 453 . 1 . 1 52 52 GLY HA2 H 1 5.1970 0.0000 . 2 . . 37967 . A 52 GLY HA2 . 31020 1 454 . 1 . 1 52 52 GLY HA3 H 1 4.3506 0.0000 . 2 . . . . A 52 GLY HA3 . 31020 1 455 . 1 . 1 52 52 GLY CA C 13 46.2073 0.0000 . 1 . . 12595 . A 52 GLY CA . 31020 1 456 . 1 . 1 52 52 GLY N N 15 108.6326 0.0000 . 1 . . 12590 . A 52 GLY N . 31020 1 457 . 1 . 1 53 53 MET H H 1 8.6481 0.0000 . 1 . . 13131 . A 53 MET H . 31020 1 458 . 1 . 1 53 53 MET HA H 1 5.3560 0.0000 . 1 . . 37907 . A 53 MET HA . 31020 1 459 . 1 . 1 53 53 MET HB2 H 1 2.1090 0.0000 . 2 . . 47751 . A 53 MET HB2 . 31020 1 460 . 1 . 1 53 53 MET HG2 H 1 2.6410 0.0000 . 2 . . 37928 . A 53 MET HG2 . 31020 1 461 . 1 . 1 53 53 MET HE1 H 1 2.1233 0.0000 . 1 . . . . A 53 MET HE1 . 31020 1 462 . 1 . 1 53 53 MET HE2 H 1 2.1233 0.0000 . 1 . . . . A 53 MET HE2 . 31020 1 463 . 1 . 1 53 53 MET HE3 H 1 2.1233 0.0000 . 1 . . . . A 53 MET HE3 . 31020 1 464 . 1 . 1 53 53 MET CA C 13 54.4018 0.0000 . 1 . . 13987 . A 53 MET CA . 31020 1 465 . 1 . 1 53 53 MET CB C 13 37.5428 0.0000 . 1 . . 12325 . A 53 MET CB . 31020 1 466 . 1 . 1 53 53 MET CG C 13 31.0730 0.0000 . 1 . . 46217 . A 53 MET CG . 31020 1 467 . 1 . 1 53 53 MET CE C 13 17.5501 0.0000 . 1 . . . . A 53 MET CE . 31020 1 468 . 1 . 1 53 53 MET N N 15 118.0771 0.0000 . 1 . . 13133 . A 53 MET N . 31020 1 469 . 1 . 1 54 54 SER H H 1 8.4617 0.0000 . 1 . . 12252 . A 54 SER H . 31020 1 470 . 1 . 1 54 54 SER HA H 1 4.7400 0.0000 . 1 . . . . A 54 SER HA . 31020 1 471 . 1 . 1 54 54 SER HB2 H 1 3.7300 0.0000 . 2 . . . . A 54 SER HB2 . 31020 1 472 . 1 . 1 54 54 SER HB3 H 1 3.8000 0.0000 . 2 . . . . A 54 SER HB3 . 31020 1 473 . 1 . 1 54 54 SER CA C 13 57.6287 0.0000 . 1 . . 12247 . A 54 SER CA . 31020 1 474 . 1 . 1 54 54 SER CB C 13 65.0692 0.0000 . 1 . . 12238 . A 54 SER CB . 31020 1 475 . 1 . 1 54 54 SER N N 15 119.2468 0.0000 . 1 . . 12254 . A 54 SER N . 31020 1 476 . 1 . 1 55 55 SER HA H 1 3.7200 0.0000 . 1 . . . . A 55 SER HA . 31020 1 477 . 1 . 1 55 55 SER HB2 H 1 3.7200 0.0000 . 2 . . . . A 55 SER HB2 . 31020 1 478 . 1 . 1 55 55 SER HB3 H 1 3.5800 0.0000 . 2 . . . . A 55 SER HB3 . 31020 1 479 . 1 . 1 55 55 SER CA C 13 61.6296 0.0000 . 1 . . 13483 . A 55 SER CA . 31020 1 480 . 1 . 1 55 55 SER CB C 13 61.6000 0.0000 . 1 . . . . A 55 SER CB . 31020 1 481 . 1 . 1 56 56 ALA H H 1 8.1757 0.0000 . 1 . . 13482 . A 56 ALA H . 31020 1 482 . 1 . 1 56 56 ALA HA H 1 4.4080 0.0000 . 1 . . 38213 . A 56 ALA HA . 31020 1 483 . 1 . 1 56 56 ALA HB1 H 1 1.4221 0.0000 . 1 . . 38222 . A 56 ALA HB1 . 31020 1 484 . 1 . 1 56 56 ALA HB2 H 1 1.4221 0.0000 . 1 . . 38222 . A 56 ALA HB2 . 31020 1 485 . 1 . 1 56 56 ALA HB3 H 1 1.4221 0.0000 . 1 . . 38222 . A 56 ALA HB3 . 31020 1 486 . 1 . 1 56 56 ALA CA C 13 53.0230 0.0000 . 1 . . 12121 . A 56 ALA CA . 31020 1 487 . 1 . 1 56 56 ALA CB C 13 18.7339 0.0000 . 1 . . 12139 . A 56 ALA CB . 31020 1 488 . 1 . 1 56 56 ALA N N 15 121.4843 0.0000 . 1 . . 13484 . A 56 ALA N . 31020 1 489 . 1 . 1 57 57 GLY H H 1 8.0037 0.0000 . 1 . . 14343 . A 57 GLY H . 31020 1 490 . 1 . 1 57 57 GLY HA2 H 1 4.0920 0.0000 . 2 . . 38024 . A 57 GLY HA2 . 31020 1 491 . 1 . 1 57 57 GLY HA3 H 1 3.7240 0.0000 . 2 . . 38033 . A 57 GLY HA3 . 31020 1 492 . 1 . 1 57 57 GLY CA C 13 45.3186 0.0000 . 1 . . 12619 . A 57 GLY CA . 31020 1 493 . 1 . 1 57 57 GLY N N 15 106.8866 0.0000 . 1 . . 14345 . A 57 GLY N . 31020 1 494 . 1 . 1 58 58 ASP H H 1 8.2527 0.0000 . 1 . . 14494 . A 58 ASP H . 31020 1 495 . 1 . 1 58 58 ASP HA H 1 4.5360 0.0000 . 1 . . 37892 . A 58 ASP HA . 31020 1 496 . 1 . 1 58 58 ASP HB2 H 1 2.8880 0.0000 . 2 . . 37895 . A 58 ASP HB2 . 31020 1 497 . 1 . 1 58 58 ASP HB3 H 1 2.6120 0.0000 . 2 . . 37898 . A 58 ASP HB3 . 31020 1 498 . 1 . 1 58 58 ASP CA C 13 53.8342 0.0000 . 1 . . 13813 . A 58 ASP CA . 31020 1 499 . 1 . 1 58 58 ASP CB C 13 40.1953 0.0000 . 1 . . 12397 . A 58 ASP CB . 31020 1 500 . 1 . 1 58 58 ASP N N 15 116.7014 0.0000 . 1 . . 14495 . A 58 ASP N . 31020 1 501 . 1 . 1 59 59 ARG H H 1 7.5669 0.0000 . 1 . . 13065 . A 59 ARG H . 31020 1 502 . 1 . 1 59 59 ARG HA H 1 4.7680 0.0000 . 1 . . 37862 . A 59 ARG HA . 31020 1 503 . 1 . 1 59 59 ARG HB2 H 1 1.7120 0.0000 . 2 . . 37886 . A 59 ARG HB2 . 31020 1 504 . 1 . 1 59 59 ARG HD2 H 1 3.2490 0.0000 . 2 . . 37877 . A 59 ARG HD2 . 31020 1 505 . 1 . 1 59 59 ARG CA C 13 55.5114 0.0000 . 1 . . 13711 . A 59 ARG CA . 31020 1 506 . 1 . 1 59 59 ARG CB C 13 32.5525 0.0000 . 1 . . 12232 . A 59 ARG CB . 31020 1 507 . 1 . 1 59 59 ARG CG C 13 26.7000 0.0000 . 1 . . . . A 59 ARG CG . 31020 1 508 . 1 . 1 59 59 ARG CD C 13 43.1160 0.0000 . 1 . . 46166 . A 59 ARG CD . 31020 1 509 . 1 . 1 59 59 ARG N N 15 119.7020 0.0000 . 1 . . 13067 . A 59 ARG N . 31020 1 510 . 1 . 1 60 60 SER H H 1 8.6779 0.0000 . 1 . . 12192 . A 60 SER H . 31020 1 511 . 1 . 1 60 60 SER HA H 1 5.4190 0.0000 . 1 . . 38012 . A 60 SER HA . 31020 1 512 . 1 . 1 60 60 SER HB2 H 1 3.9060 0.0000 . 2 . . 38030 . A 60 SER HB2 . 31020 1 513 . 1 . 1 60 60 SER HB3 H 1 3.8520 0.0000 . 2 . . . . A 60 SER HB3 . 31020 1 514 . 1 . 1 60 60 SER CA C 13 57.2493 0.0000 . 1 . . 12199 . A 60 SER CA . 31020 1 515 . 1 . 1 60 60 SER CB C 13 65.7717 0.0000 . 1 . . 12193 . A 60 SER CB . 31020 1 516 . 1 . 1 60 60 SER N N 15 120.2208 0.0000 . 1 . . 12194 . A 60 SER N . 31020 1 517 . 1 . 1 61 61 SER H H 1 8.8132 0.0000 . 1 . . 13152 . A 61 SER H . 31020 1 518 . 1 . 1 61 61 SER HA H 1 4.9100 0.0000 . 1 . . 38015 . A 61 SER HA . 31020 1 519 . 1 . 1 61 61 SER HB2 H 1 3.8500 0.0000 . 2 . . 38027 . A 61 SER HB2 . 31020 1 520 . 1 . 1 61 61 SER CA C 13 57.1222 0.0000 . 1 . . 12352 . A 61 SER CA . 31020 1 521 . 1 . 1 61 61 SER CB C 13 65.8653 0.0000 . 1 . . 12349 . A 61 SER CB . 31020 1 522 . 1 . 1 61 61 SER N N 15 116.8328 0.0000 . 1 . . 13154 . A 61 SER N . 31020 1 523 . 1 . 1 62 62 TYR H H 1 8.4917 0.0000 . 1 . . 12369 . A 62 TYR H . 31020 1 524 . 1 . 1 62 62 TYR HA H 1 4.7620 0.0000 . 1 . . 47763 . A 62 TYR HA . 31020 1 525 . 1 . 1 62 62 TYR HB2 H 1 2.9730 0.0000 . 2 . . 37574 . A 62 TYR HB2 . 31020 1 526 . 1 . 1 62 62 TYR HB3 H 1 2.3960 0.0000 . 2 . . 37562 . A 62 TYR HB3 . 31020 1 527 . 1 . 1 62 62 TYR HD1 H 1 7.0300 0.0000 . 3 . . . . A 62 TYR HD1 . 31020 1 528 . 1 . 1 62 62 TYR HE1 H 1 6.6700 0.0000 . 3 . . . . A 62 TYR HE1 . 31020 1 529 . 1 . 1 62 62 TYR CA C 13 57.2427 0.0000 . 1 . . 12355 . A 62 TYR CA . 31020 1 530 . 1 . 1 62 62 TYR CB C 13 43.5511 0.0000 . 1 . . 12370 . A 62 TYR CB . 31020 1 531 . 1 . 1 62 62 TYR N N 15 116.9612 0.0000 . 1 . . 12371 . A 62 TYR N . 31020 1 532 . 1 . 1 63 63 GLU H H 1 7.7130 0.0000 . 1 . . 14028 . A 63 GLU H . 31020 1 533 . 1 . 1 63 63 GLU HA H 1 4.3950 0.0000 . 1 . . 37652 . A 63 GLU HA . 31020 1 534 . 1 . 1 63 63 GLU HB2 H 1 2.6500 0.0000 . 2 . . . . A 63 GLU HB2 . 31020 1 535 . 1 . 1 63 63 GLU HB3 H 1 2.5800 0.0000 . 2 . . . . A 63 GLU HB3 . 31020 1 536 . 1 . 1 63 63 GLU HG2 H 1 3.1600 0.0000 . 2 . . 37658 . A 63 GLU HG2 . 31020 1 537 . 1 . 1 63 63 GLU HG3 H 1 3.0400 0.0000 . 2 . . . . A 63 GLU HG3 . 31020 1 538 . 1 . 1 63 63 GLU CA C 13 57.1639 0.0000 . 1 . . 11842 . A 63 GLU CA . 31020 1 539 . 1 . 1 63 63 GLU CB C 13 29.9646 0.0000 . 1 . . 12637 . A 63 GLU CB . 31020 1 540 . 1 . 1 63 63 GLU CG C 13 36.2990 0.0000 . 1 . . 45905 . A 63 GLU CG . 31020 1 541 . 1 . 1 63 63 GLU N N 15 126.8496 0.0000 . 1 . . 14030 . A 63 GLU N . 31020 1 542 . 1 . 1 64 64 ASP H H 1 8.7986 0.0000 . 1 . . 11925 . A 64 ASP H . 31020 1 543 . 1 . 1 64 64 ASP HA H 1 4.2850 0.0000 . 1 . . 38120 . A 64 ASP HA . 31020 1 544 . 1 . 1 64 64 ASP HB2 H 1 2.7150 0.0000 . 2 . . 38123 . A 64 ASP HB2 . 31020 1 545 . 1 . 1 64 64 ASP CA C 13 58.9521 0.0000 . 1 . . 11926 . A 64 ASP CA . 31020 1 546 . 1 . 1 64 64 ASP CB C 13 41.2522 0.0000 . 1 . . 11935 . A 64 ASP CB . 31020 1 547 . 1 . 1 64 64 ASP N N 15 124.9476 0.0000 . 1 . . 11927 . A 64 ASP N . 31020 1 548 . 1 . 1 65 65 SER H H 1 8.8885 0.0000 . 1 . . 13272 . A 65 SER H . 31020 1 549 . 1 . 1 65 65 SER HA H 1 4.2801 0.0000 . 1 . . . . A 65 SER HA . 31020 1 550 . 1 . 1 65 65 SER HB2 H 1 4.3891 0.0000 . 2 . . . . A 65 SER HB2 . 31020 1 551 . 1 . 1 65 65 SER CA C 13 60.8533 0.0000 . 1 . . 13495 . A 65 SER CA . 31020 1 552 . 1 . 1 65 65 SER CB C 13 62.6887 0.0000 . 1 . . 12505 . A 65 SER CB . 31020 1 553 . 1 . 1 65 65 SER N N 15 113.2657 0.0000 . 1 . . 13274 . A 65 SER N . 31020 1 554 . 1 . 1 66 66 VAL H H 1 7.5878 0.0000 . 1 . . 13263 . A 66 VAL H . 31020 1 555 . 1 . 1 66 66 VAL HA H 1 4.0840 0.0000 . 1 . . 37601 . A 66 VAL HA . 31020 1 556 . 1 . 1 66 66 VAL HB H 1 0.8402 0.0000 . 1 . . . . A 66 VAL HB . 31020 1 557 . 1 . 1 66 66 VAL HG11 H 1 0.8393 0.0000 . 2 . . . . A 66 VAL HG11 . 31020 1 558 . 1 . 1 66 66 VAL HG12 H 1 0.8393 0.0000 . 2 . . . . A 66 VAL HG12 . 31020 1 559 . 1 . 1 66 66 VAL HG13 H 1 0.8393 0.0000 . 2 . . . . A 66 VAL HG13 . 31020 1 560 . 1 . 1 66 66 VAL HG21 H 1 0.2127 0.0000 . 2 . . . . A 66 VAL HG21 . 31020 1 561 . 1 . 1 66 66 VAL HG22 H 1 0.2127 0.0000 . 2 . . . . A 66 VAL HG22 . 31020 1 562 . 1 . 1 66 66 VAL HG23 H 1 0.2127 0.0000 . 2 . . . . A 66 VAL HG23 . 31020 1 563 . 1 . 1 66 66 VAL CA C 13 60.3107 0.0000 . 1 . . 12490 . A 66 VAL CA . 31020 1 564 . 1 . 1 66 66 VAL CB C 13 31.2028 0.0000 . 1 . . 16494 . A 66 VAL CB . 31020 1 565 . 1 . 1 66 66 VAL CG1 C 13 19.4279 0.0000 . 2 . . . . A 66 VAL CG1 . 31020 1 566 . 1 . 1 66 66 VAL CG2 C 13 20.8024 0.0000 . 2 . . . . A 66 VAL CG2 . 31020 1 567 . 1 . 1 66 66 VAL N N 15 113.8340 0.0000 . 1 . . 13265 . A 66 VAL N . 31020 1 568 . 1 . 1 67 67 LYS H H 1 7.2821 0.0000 . 1 . . 13503 . A 67 LYS H . 31020 1 569 . 1 . 1 67 67 LYS HA H 1 3.6500 0.0000 . 1 . . . . A 67 LYS HA . 31020 1 570 . 1 . 1 67 67 LYS HB2 H 1 1.8300 0.0000 . 2 . . . . A 67 LYS HB2 . 31020 1 571 . 1 . 1 67 67 LYS HB3 H 1 1.7600 0.0000 . 2 . . . . A 67 LYS HB3 . 31020 1 572 . 1 . 1 67 67 LYS HG2 H 1 1.4600 0.0000 . 2 . . 38048 . A 67 LYS HG2 . 31020 1 573 . 1 . 1 67 67 LYS HD2 H 1 1.8400 0.0000 . 2 . . . . A 67 LYS HD2 . 31020 1 574 . 1 . 1 67 67 LYS HD3 H 1 1.8020 0.0000 . 2 . . . . A 67 LYS HD3 . 31020 1 575 . 1 . 1 67 67 LYS HE2 H 1 3.1300 0.0000 . 2 . . 47772 . A 67 LYS HE2 . 31020 1 576 . 1 . 1 67 67 LYS HE3 H 1 3.0900 0.0000 . 2 . . . . A 67 LYS HE3 . 31020 1 577 . 1 . 1 67 67 LYS CA C 13 58.4467 0.0000 . 1 . . 13561 . A 67 LYS CA . 31020 1 578 . 1 . 1 67 67 LYS CB C 13 32.2670 0.0000 . 1 . . 47769 . A 67 LYS CB . 31020 1 579 . 1 . 1 67 67 LYS CG C 13 24.8730 0.0000 . 1 . . 46385 . A 67 LYS CG . 31020 1 580 . 1 . 1 67 67 LYS CD C 13 29.6800 0.0000 . 1 . . 47766 . A 67 LYS CD . 31020 1 581 . 1 . 1 67 67 LYS CE C 13 42.0070 0.0000 . 1 . . 47766 . A 67 LYS CE . 31020 1 582 . 1 . 1 67 67 LYS N N 15 125.7132 0.0000 . 1 . . 13505 . A 67 LYS N . 31020 1 583 . 1 . 1 68 68 GLY H H 1 9.2119 0.0000 . 1 . . 12420 . A 68 GLY H . 31020 1 584 . 1 . 1 68 68 GLY HA2 H 1 4.3050 0.0000 . 2 . . 38021 . A 68 GLY HA2 . 31020 1 585 . 1 . 1 68 68 GLY HA3 H 1 3.5570 0.0000 . 2 . . 37991 . A 68 GLY HA3 . 31020 1 586 . 1 . 1 68 68 GLY CA C 13 45.5083 0.0000 . 1 . . 12421 . A 68 GLY CA . 31020 1 587 . 1 . 1 68 68 GLY N N 15 116.1964 0.0000 . 1 . . 12422 . A 68 GLY N . 31020 1 588 . 1 . 1 69 69 ARG H H 1 7.7565 0.0000 . 1 . . 12372 . A 69 ARG H . 31020 1 589 . 1 . 1 69 69 ARG HA H 1 4.5820 0.0000 . 1 . . 37853 . A 69 ARG HA . 31020 1 590 . 1 . 1 69 69 ARG HB2 H 1 2.2150 0.0000 . 2 . . 47778 . A 69 ARG HB2 . 31020 1 591 . 1 . 1 69 69 ARG HG2 H 1 1.5880 0.0000 . 2 . . 47781 . A 69 ARG HG2 . 31020 1 592 . 1 . 1 69 69 ARG HD2 H 1 3.3490 0.0000 . 2 . . 47775 . A 69 ARG HD2 . 31020 1 593 . 1 . 1 69 69 ARG CA C 13 57.2762 0.0000 . 1 . . 12361 . A 69 ARG CA . 31020 1 594 . 1 . 1 69 69 ARG CB C 13 30.7114 0.0000 . 1 . . 12373 . A 69 ARG CB . 31020 1 595 . 1 . 1 69 69 ARG CG C 13 28.6700 0.0000 . 1 . . . . A 69 ARG CG . 31020 1 596 . 1 . 1 69 69 ARG CD C 13 42.8710 0.0000 . 1 . . 46145 . A 69 ARG CD . 31020 1 597 . 1 . 1 69 69 ARG N N 15 117.1012 0.0000 . 1 . . 12374 . A 69 ARG N . 31020 1 598 . 1 . 1 70 70 PHE H H 1 7.5117 0.0000 . 1 . . 13617 . A 70 PHE H . 31020 1 599 . 1 . 1 70 70 PHE HA H 1 6.0780 0.0000 . 1 . . . . A 70 PHE HA . 31020 1 600 . 1 . 1 70 70 PHE HB2 H 1 2.8470 0.0000 . 2 . . 38126 . A 70 PHE HB2 . 31020 1 601 . 1 . 1 70 70 PHE HD1 H 1 6.9431 0.0000 . 3 . . . . A 70 PHE HD1 . 31020 1 602 . 1 . 1 70 70 PHE HE1 H 1 7.2560 0.0000 . 3 . . . . A 70 PHE HE1 . 31020 1 603 . 1 . 1 70 70 PHE CA C 13 52.6294 0.0000 . 1 . . 12664 . A 70 PHE CA . 31020 1 604 . 1 . 1 70 70 PHE CB C 13 39.5789 0.0000 . 1 . . 12184 . A 70 PHE CB . 31020 1 605 . 1 . 1 70 70 PHE CD1 C 13 128.8822 0.0000 . 3 . . . . A 70 PHE CD1 . 31020 1 606 . 1 . 1 70 70 PHE CE1 C 13 129.7268 0.0000 . 3 . . . . A 70 PHE CE1 . 31020 1 607 . 1 . 1 70 70 PHE N N 15 120.5416 0.0000 . 1 . . 13619 . A 70 PHE N . 31020 1 608 . 1 . 1 71 71 THR H H 1 8.8060 0.0000 . 1 . . 13317 . A 71 THR H . 31020 1 609 . 1 . 1 71 71 THR HA H 1 5.0531 0.0000 . 1 . . . . A 71 THR HA . 31020 1 610 . 1 . 1 71 71 THR HB H 1 3.7831 0.0000 . 1 . . . . A 71 THR HB . 31020 1 611 . 1 . 1 71 71 THR HG21 H 1 1.1619 0.0000 . 1 . . 37481 . A 71 THR HG21 . 31020 1 612 . 1 . 1 71 71 THR HG22 H 1 1.1619 0.0000 . 1 . . 37481 . A 71 THR HG22 . 31020 1 613 . 1 . 1 71 71 THR HG23 H 1 1.1619 0.0000 . 1 . . 37481 . A 71 THR HG23 . 31020 1 614 . 1 . 1 71 71 THR CA C 13 61.3169 0.0000 . 1 . . 12529 . A 71 THR CA . 31020 1 615 . 1 . 1 71 71 THR CB C 13 72.2070 0.0000 . 1 . . 47784 . A 71 THR CB . 31020 1 616 . 1 . 1 71 71 THR CG2 C 13 21.7725 0.0000 . 1 . . 45770 . A 71 THR CG2 . 31020 1 617 . 1 . 1 71 71 THR N N 15 112.0243 0.0000 . 1 . . 13319 . A 71 THR N . 31020 1 618 . 1 . 1 72 72 ILE H H 1 9.2640 0.0000 . 1 . . 12741 . A 72 ILE H . 31020 1 619 . 1 . 1 72 72 ILE HA H 1 5.4338 0.0000 . 1 . . . . A 72 ILE HA . 31020 1 620 . 1 . 1 72 72 ILE HB H 1 1.6680 0.0000 . 1 . . . . A 72 ILE HB . 31020 1 621 . 1 . 1 72 72 ILE HG12 H 1 2.2100 0.0000 . 2 . . . . A 72 ILE HG12 . 31020 1 622 . 1 . 1 72 72 ILE HG13 H 1 1.5400 0.0000 . 2 . . . . A 72 ILE HG13 . 31020 1 623 . 1 . 1 72 72 ILE HG21 H 1 0.9691 0.0000 . 1 . . . . A 72 ILE HG21 . 31020 1 624 . 1 . 1 72 72 ILE HG22 H 1 0.9691 0.0000 . 1 . . . . A 72 ILE HG22 . 31020 1 625 . 1 . 1 72 72 ILE HG23 H 1 0.9691 0.0000 . 1 . . . . A 72 ILE HG23 . 31020 1 626 . 1 . 1 72 72 ILE HD11 H 1 1.1315 0.0000 . 1 . . . . A 72 ILE HD11 . 31020 1 627 . 1 . 1 72 72 ILE HD12 H 1 1.1315 0.0000 . 1 . . . . A 72 ILE HD12 . 31020 1 628 . 1 . 1 72 72 ILE HD13 H 1 1.1315 0.0000 . 1 . . . . A 72 ILE HD13 . 31020 1 629 . 1 . 1 72 72 ILE CA C 13 58.9024 0.0000 . 1 . . 13546 . A 72 ILE CA . 31020 1 630 . 1 . 1 72 72 ILE CB C 13 41.9976 0.0000 . 1 . . 11758 . A 72 ILE CB . 31020 1 631 . 1 . 1 72 72 ILE CG1 C 13 28.0200 0.0000 . 1 . . 46259 . A 72 ILE CG1 . 31020 1 632 . 1 . 1 72 72 ILE CG2 C 13 15.4543 0.0000 . 1 . . . . A 72 ILE CG2 . 31020 1 633 . 1 . 1 72 72 ILE CD1 C 13 14.6380 0.0000 . 1 . . 46268 . A 72 ILE CD1 . 31020 1 634 . 1 . 1 72 72 ILE N N 15 131.9258 0.0000 . 1 . . 12743 . A 72 ILE N . 31020 1 635 . 1 . 1 73 73 SER H H 1 8.4907 0.0000 . 1 . . 12681 . A 73 SER H . 31020 1 636 . 1 . 1 73 73 SER HA H 1 4.7140 0.0000 . 1 . . 37985 . A 73 SER HA . 31020 1 637 . 1 . 1 73 73 SER HB2 H 1 4.0050 0.0000 . 2 . . 37988 . A 73 SER HB2 . 31020 1 638 . 1 . 1 73 73 SER CA C 13 58.3530 0.0000 . 1 . . 13570 . A 73 SER CA . 31020 1 639 . 1 . 1 73 73 SER CB C 13 65.3396 0.0000 . 1 . . 12679 . A 73 SER CB . 31020 1 640 . 1 . 1 73 73 SER N N 15 118.8770 0.0000 . 1 . . 12683 . A 73 SER N . 31020 1 641 . 1 . 1 74 74 ARG H H 1 9.1732 0.0000 . 1 . . 12330 . A 74 ARG H . 31020 1 642 . 1 . 1 74 74 ARG HA H 1 5.2120 0.0000 . 1 . . 47793 . A 74 ARG HA . 31020 1 643 . 1 . 1 74 74 ARG HB2 H 1 1.8640 0.0000 . 2 . . 37772 . A 74 ARG HB2 . 31020 1 644 . 1 . 1 74 74 ARG HG2 H 1 1.6120 0.0000 . 2 . . 37775 . A 74 ARG HG2 . 31020 1 645 . 1 . 1 74 74 ARG HD2 H 1 3.3280 0.0000 . 2 . . 47787 . A 74 ARG HD2 . 31020 1 646 . 1 . 1 74 74 ARG HD3 H 1 2.7020 0.0000 . 2 . . 47790 . A 74 ARG HD3 . 31020 1 647 . 1 . 1 74 74 ARG CA C 13 55.2711 0.0000 . 1 . . 12337 . A 74 ARG CA . 31020 1 648 . 1 . 1 74 74 ARG CB C 13 34.8146 0.0000 . 1 . . 12343 . A 74 ARG CB . 31020 1 649 . 1 . 1 74 74 ARG CG C 13 26.1140 0.0000 . 1 . . 46043 . A 74 ARG CG . 31020 1 650 . 1 . 1 74 74 ARG CD C 13 43.8490 0.0000 . 1 . . 46019 . A 74 ARG CD . 31020 1 651 . 1 . 1 74 74 ARG N N 15 117.5057 0.0000 . 1 . . 12332 . A 74 ARG N . 31020 1 652 . 1 . 1 75 75 ASP H H 1 8.9866 0.0000 . 1 . . 14416 . A 75 ASP H . 31020 1 653 . 1 . 1 75 75 ASP HA H 1 5.0300 0.0000 . 1 . . 37580 . A 75 ASP HA . 31020 1 654 . 1 . 1 75 75 ASP HB2 H 1 3.0470 0.0000 . 2 . . 37583 . A 75 ASP HB2 . 31020 1 655 . 1 . 1 75 75 ASP HB3 H 1 2.6780 0.0000 . 2 . . 37586 . A 75 ASP HB3 . 31020 1 656 . 1 . 1 75 75 ASP CA C 13 52.5467 0.0000 . 1 . . 12049 . A 75 ASP CA . 31020 1 657 . 1 . 1 75 75 ASP CB C 13 43.0302 0.0000 . 1 . . 12052 . A 75 ASP CB . 31020 1 658 . 1 . 1 75 75 ASP N N 15 122.5690 0.0000 . 1 . . 14417 . A 75 ASP N . 31020 1 659 . 1 . 1 76 76 ASP H H 1 8.8872 0.0000 . 1 . . 11856 . A 76 ASP H . 31020 1 660 . 1 . 1 76 76 ASP HA H 1 4.2410 0.0000 . 1 . . 37787 . A 76 ASP HA . 31020 1 661 . 1 . 1 76 76 ASP HB2 H 1 2.6950 0.0000 . 2 . . 37793 . A 76 ASP HB2 . 31020 1 662 . 1 . 1 76 76 ASP CA C 13 57.4507 0.0000 . 1 . . 11854 . A 76 ASP CA . 31020 1 663 . 1 . 1 76 76 ASP CB C 13 40.6325 0.0000 . 1 . . 11860 . A 76 ASP CB . 31020 1 664 . 1 . 1 76 76 ASP N N 15 126.0356 0.0000 . 1 . . 11858 . A 76 ASP N . 31020 1 665 . 1 . 1 77 77 ALA H H 1 8.3032 0.0000 . 1 . . 12087 . A 77 ALA H . 31020 1 666 . 1 . 1 77 77 ALA HA H 1 4.2500 0.0000 . 1 . . 38087 . A 77 ALA HA . 31020 1 667 . 1 . 1 77 77 ALA HB1 H 1 1.5159 0.0000 . 1 . . 38096 . A 77 ALA HB1 . 31020 1 668 . 1 . 1 77 77 ALA HB2 H 1 1.5159 0.0000 . 1 . . 38096 . A 77 ALA HB2 . 31020 1 669 . 1 . 1 77 77 ALA HB3 H 1 1.5159 0.0000 . 1 . . 38096 . A 77 ALA HB3 . 31020 1 670 . 1 . 1 77 77 ALA CA C 13 54.7255 0.0000 . 1 . . 13765 . A 77 ALA CA . 31020 1 671 . 1 . 1 77 77 ALA CB C 13 18.4880 0.0000 . 1 . . 12103 . A 77 ALA CB . 31020 1 672 . 1 . 1 77 77 ALA N N 15 121.9447 0.0000 . 1 . . 12089 . A 77 ALA N . 31020 1 673 . 1 . 1 78 78 ARG H H 1 7.6650 0.0000 . 1 . . 14518 . A 78 ARG H . 31020 1 674 . 1 . 1 78 78 ARG HA H 1 4.3880 0.0000 . 1 . . 37568 . A 78 ARG HA . 31020 1 675 . 1 . 1 78 78 ARG HB2 H 1 2.0110 0.0000 . 2 . . 47796 . A 78 ARG HB2 . 31020 1 676 . 1 . 1 78 78 ARG HG2 H 1 1.6950 0.0000 . 2 . . 37577 . A 78 ARG HG2 . 31020 1 677 . 1 . 1 78 78 ARG HG3 H 1 1.4060 0.0000 . 2 . . 47799 . A 78 ARG HG3 . 31020 1 678 . 1 . 1 78 78 ARG HD2 H 1 3.1950 0.0000 . 2 . . 37571 . A 78 ARG HD2 . 31020 1 679 . 1 . 1 78 78 ARG CA C 13 55.6066 0.0000 . 1 . . 13717 . A 78 ARG CA . 31020 1 680 . 1 . 1 78 78 ARG CB C 13 30.5281 0.0000 . 1 . . 12463 . A 78 ARG CB . 31020 1 681 . 1 . 1 78 78 ARG CG C 13 28.1410 0.0000 . 1 . . 45845 . A 78 ARG CG . 31020 1 682 . 1 . 1 78 78 ARG CD C 13 43.0730 0.0000 . 1 . . 45836 . A 78 ARG CD . 31020 1 683 . 1 . 1 78 78 ARG N N 15 114.9778 0.0000 . 1 . . 14519 . A 78 ARG N . 31020 1 684 . 1 . 1 79 79 ASN H H 1 8.3901 0.0000 . 1 . . 14031 . A 79 ASN H . 31020 1 685 . 1 . 1 79 79 ASN HA H 1 4.4000 0.0000 . 1 . . 38153 . A 79 ASN HA . 31020 1 686 . 1 . 1 79 79 ASN HB2 H 1 2.3970 0.0000 . 2 . . 38162 . A 79 ASN HB2 . 31020 1 687 . 1 . 1 79 79 ASN CA C 13 54.1901 0.0000 . 1 . . 11845 . A 79 ASN CA . 31020 1 688 . 1 . 1 79 79 ASN CB C 13 39.7064 0.0000 . 1 . . 11851 . A 79 ASN CB . 31020 1 689 . 1 . 1 79 79 ASN N N 15 126.5292 0.0000 . 1 . . 14033 . A 79 ASN N . 31020 1 690 . 1 . 1 80 80 THR H H 1 7.6194 0.0000 . 1 . . 13800 . A 80 THR H . 31020 1 691 . 1 . 1 80 80 THR HA H 1 5.3090 0.0000 . 1 . . 47802 . A 80 THR HA . 31020 1 692 . 1 . 1 80 80 THR HB H 1 3.4590 0.0000 . 1 . . 37706 . A 80 THR HB . 31020 1 693 . 1 . 1 80 80 THR HG21 H 1 0.6570 0.0000 . 1 . . 37736 . A 80 THR HG21 . 31020 1 694 . 1 . 1 80 80 THR HG22 H 1 0.6570 0.0000 . 1 . . 37736 . A 80 THR HG22 . 31020 1 695 . 1 . 1 80 80 THR HG23 H 1 0.6570 0.0000 . 1 . . 37736 . A 80 THR HG23 . 31020 1 696 . 1 . 1 80 80 THR CA C 13 60.7610 0.0000 . 1 . . 13498 . A 80 THR CA . 31020 1 697 . 1 . 1 80 80 THR CB C 13 73.4100 0.0000 . 1 . . 12556 . A 80 THR CB . 31020 1 698 . 1 . 1 80 80 THR CG2 C 13 21.4415 0.0000 . 1 . . 45986 . A 80 THR CG2 . 31020 1 699 . 1 . 1 80 80 THR N N 15 110.2539 0.0000 . 1 . . 13802 . A 80 THR N . 31020 1 700 . 1 . 1 81 81 VAL H H 1 8.5174 0.0000 . 1 . . 12648 . A 81 VAL H . 31020 1 701 . 1 . 1 81 81 VAL HA H 1 4.6600 0.0000 . 1 . . 37697 . A 81 VAL HA . 31020 1 702 . 1 . 1 81 81 VAL HB H 1 1.9100 0.0000 . 1 . . 37727 . A 81 VAL HB . 31020 1 703 . 1 . 1 81 81 VAL HG11 H 1 1.1328 0.0000 . 2 . . . . A 81 VAL HG11 . 31020 1 704 . 1 . 1 81 81 VAL HG12 H 1 1.1328 0.0000 . 2 . . . . A 81 VAL HG12 . 31020 1 705 . 1 . 1 81 81 VAL HG13 H 1 1.1328 0.0000 . 2 . . . . A 81 VAL HG13 . 31020 1 706 . 1 . 1 81 81 VAL HG21 H 1 0.9810 0.0000 . 2 . . . . A 81 VAL HG21 . 31020 1 707 . 1 . 1 81 81 VAL HG22 H 1 0.9810 0.0000 . 2 . . . . A 81 VAL HG22 . 31020 1 708 . 1 . 1 81 81 VAL HG23 H 1 0.9810 0.0000 . 2 . . . . A 81 VAL HG23 . 31020 1 709 . 1 . 1 81 81 VAL CA C 13 60.1160 0.0000 . 1 . . 12010 . A 81 VAL CA . 31020 1 710 . 1 . 1 81 81 VAL CB C 13 35.1779 0.0000 . 1 . . 12025 . A 81 VAL CB . 31020 1 711 . 1 . 1 81 81 VAL CG1 C 13 22.4629 0.0000 . 2 . . . . A 81 VAL CG1 . 31020 1 712 . 1 . 1 81 81 VAL CG2 C 13 22.7006 0.0000 . 2 . . . . A 81 VAL CG2 . 31020 1 713 . 1 . 1 81 81 VAL N N 15 123.1634 0.0000 . 1 . . 12650 . A 81 VAL N . 31020 1 714 . 1 . 1 82 82 TYR H H 1 9.3094 0.0000 . 1 . . 12006 . A 82 TYR H . 31020 1 715 . 1 . 1 82 82 TYR HA H 1 5.7300 0.0000 . 1 . . . . A 82 TYR HA . 31020 1 716 . 1 . 1 82 82 TYR HB2 H 1 2.8355 0.0000 . 2 . . . . A 82 TYR HB2 . 31020 1 717 . 1 . 1 82 82 TYR HB3 H 1 2.7766 0.0000 . 2 . . . . A 82 TYR HB3 . 31020 1 718 . 1 . 1 82 82 TYR HD1 H 1 6.9800 0.0000 . 3 . . . . A 82 TYR HD1 . 31020 1 719 . 1 . 1 82 82 TYR HE1 H 1 6.6743 0.0000 . 3 . . . . A 82 TYR HE1 . 31020 1 720 . 1 . 1 82 82 TYR CA C 13 56.9685 0.0000 . 1 . . 13648 . A 82 TYR CA . 31020 1 721 . 1 . 1 82 82 TYR CB C 13 42.2766 0.0000 . 1 . . 11992 . A 82 TYR CB . 31020 1 722 . 1 . 1 82 82 TYR CE1 C 13 117.7551 0.0000 . 3 . . . . A 82 TYR CE1 . 31020 1 723 . 1 . 1 82 82 TYR N N 15 123.3033 0.0000 . 1 . . 12008 . A 82 TYR N . 31020 1 724 . 1 . 1 83 83 LEU HA H 1 4.5500 0.0000 . 1 . . . . A 83 LEU HA . 31020 1 725 . 1 . 1 83 83 LEU HG H 1 0.4270 0.0000 . 1 . . . . A 83 LEU HG . 31020 1 726 . 1 . 1 83 83 LEU HD11 H 1 0.0736 0.0000 . 2 . . . . A 83 LEU HD11 . 31020 1 727 . 1 . 1 83 83 LEU HD12 H 1 0.0736 0.0000 . 2 . . . . A 83 LEU HD12 . 31020 1 728 . 1 . 1 83 83 LEU HD13 H 1 0.0736 0.0000 . 2 . . . . A 83 LEU HD13 . 31020 1 729 . 1 . 1 83 83 LEU HD21 H 1 0.4756 0.0000 . 2 . . . . A 83 LEU HD21 . 31020 1 730 . 1 . 1 83 83 LEU HD22 H 1 0.4756 0.0000 . 2 . . . . A 83 LEU HD22 . 31020 1 731 . 1 . 1 83 83 LEU HD23 H 1 0.4756 0.0000 . 2 . . . . A 83 LEU HD23 . 31020 1 732 . 1 . 1 83 83 LEU CA C 13 53.6932 0.0000 . 1 . . 12622 . A 83 LEU CA . 31020 1 733 . 1 . 1 83 83 LEU CB C 13 42.9224 0.0000 . 1 . . 12781 . A 83 LEU CB . 31020 1 734 . 1 . 1 83 83 LEU CG C 13 26.4000 0.0000 . 1 . . . . A 83 LEU CG . 31020 1 735 . 1 . 1 83 83 LEU CD1 C 13 25.2524 0.0000 . 2 . . . . A 83 LEU CD1 . 31020 1 736 . 1 . 1 83 83 LEU CD2 C 13 22.3739 0.0000 . 2 . . . . A 83 LEU CD2 . 31020 1 737 . 1 . 1 84 84 GLN H H 1 8.9797 0.0000 . 1 . . 12621 . A 84 GLN H . 31020 1 738 . 1 . 1 84 84 GLN HA H 1 4.2350 0.0000 . 1 . . 37550 . A 84 GLN HA . 31020 1 739 . 1 . 1 84 84 GLN HB2 H 1 1.9260 0.0000 . 2 . . 37565 . A 84 GLN HB2 . 31020 1 740 . 1 . 1 84 84 GLN HG3 H 1 2.3790 0.0000 . 2 . . 37559 . A 84 GLN HG3 . 31020 1 741 . 1 . 1 84 84 GLN CA C 13 54.8716 0.0000 . 1 . . 11797 . A 84 GLN CA . 31020 1 742 . 1 . 1 84 84 GLN CB C 13 29.2132 0.0000 . 1 . . 11806 . A 84 GLN CB . 31020 1 743 . 1 . 1 84 84 GLN CG C 13 33.3660 0.0000 . 1 . . 45824 . A 84 GLN CG . 31020 1 744 . 1 . 1 84 84 GLN N N 15 128.7701 0.0000 . 1 . . 12623 . A 84 GLN N . 31020 1 745 . 1 . 1 85 85 MET H H 1 8.9177 0.0000 . 1 . . 11823 . A 85 MET H . 31020 1 746 . 1 . 1 85 85 MET HA H 1 4.1820 0.0000 . 1 . . 37868 . A 85 MET HA . 31020 1 747 . 1 . 1 85 85 MET HB2 H 1 1.9300 0.0000 . 2 . . . . A 85 MET HB2 . 31020 1 748 . 1 . 1 85 85 MET HG2 H 1 1.5100 0.0000 . 2 . . . . A 85 MET HG2 . 31020 1 749 . 1 . 1 85 85 MET HE1 H 1 1.0500 0.0000 . 1 . . . . A 85 MET HE1 . 31020 1 750 . 1 . 1 85 85 MET HE2 H 1 1.0500 0.0000 . 1 . . . . A 85 MET HE2 . 31020 1 751 . 1 . 1 85 85 MET HE3 H 1 1.0500 0.0000 . 1 . . . . A 85 MET HE3 . 31020 1 752 . 1 . 1 85 85 MET CA C 13 54.7242 0.0000 . 1 . . 11824 . A 85 MET CA . 31020 1 753 . 1 . 1 85 85 MET CB C 13 35.5157 0.0000 . 1 . . 12628 . A 85 MET CB . 31020 1 754 . 1 . 1 85 85 MET CG C 13 29.2980 0.0000 . 1 . . 46175 . A 85 MET CG . 31020 1 755 . 1 . 1 85 85 MET CE C 13 17.7157 0.0000 . 1 . . . . A 85 MET CE . 31020 1 756 . 1 . 1 85 85 MET N N 15 127.1372 0.0000 . 1 . . 11825 . A 85 MET N . 31020 1 757 . 1 . 1 86 86 ASN H H 1 7.9900 0.0000 . 1 . . 12210 . A 86 ASN H . 31020 1 758 . 1 . 1 86 86 ASN HA H 1 5.1300 0.0000 . 1 . . 47805 . A 86 ASN HA . 31020 1 759 . 1 . 1 86 86 ASN HB2 H 1 2.7620 0.0000 . 2 . . 38150 . A 86 ASN HB2 . 31020 1 760 . 1 . 1 86 86 ASN HB3 H 1 3.0860 0.0000 . 2 . . 38141 . A 86 ASN HB3 . 31020 1 761 . 1 . 1 86 86 ASN CA C 13 51.2106 0.0000 . 1 . . 12205 . A 86 ASN CA . 31020 1 762 . 1 . 1 86 86 ASN CB C 13 41.1291 0.0000 . 1 . . 12661 . A 86 ASN CB . 31020 1 763 . 1 . 1 86 86 ASN N N 15 120.2485 0.0000 . 1 . . 12212 . A 86 ASN N . 31020 1 764 . 1 . 1 87 87 SER H H 1 8.5691 0.0000 . 1 . . 13635 . A 87 SER H . 31020 1 765 . 1 . 1 87 87 SER HA H 1 3.6177 0.0000 . 1 . . . . A 87 SER HA . 31020 1 766 . 1 . 1 87 87 SER HB2 H 1 4.0244 0.0000 . 2 . . 37940 . A 87 SER HB2 . 31020 1 767 . 1 . 1 87 87 SER HB3 H 1 3.6989 0.0000 . 2 . . . . A 87 SER HB3 . 31020 1 768 . 1 . 1 87 87 SER CA C 13 57.6048 0.0000 . 1 . . 13636 . A 87 SER CA . 31020 1 769 . 1 . 1 87 87 SER CB C 13 61.8069 0.0000 . 1 . . 12544 . A 87 SER CB . 31020 1 770 . 1 . 1 87 87 SER N N 15 111.6017 0.0000 . 1 . . 13637 . A 87 SER N . 31020 1 771 . 1 . 1 88 88 LEU H H 1 8.2581 0.0000 . 1 . . 12264 . A 88 LEU H . 31020 1 772 . 1 . 1 88 88 LEU HA H 1 3.9110 0.0000 . 1 . . 47808 . A 88 LEU HA . 31020 1 773 . 1 . 1 88 88 LEU HB2 H 1 1.4050 0.0000 . 2 . . 47811 . A 88 LEU HB2 . 31020 1 774 . 1 . 1 88 88 LEU HG H 1 1.3400 0.0000 . 1 . . 47814 . A 88 LEU HG . 31020 1 775 . 1 . 1 88 88 LEU HD11 H 1 0.5178 0.0000 . 2 . . . . A 88 LEU HD11 . 31020 1 776 . 1 . 1 88 88 LEU HD12 H 1 0.5178 0.0000 . 2 . . . . A 88 LEU HD12 . 31020 1 777 . 1 . 1 88 88 LEU HD13 H 1 0.5178 0.0000 . 2 . . . . A 88 LEU HD13 . 31020 1 778 . 1 . 1 88 88 LEU HD21 H 1 0.8835 0.0000 . 2 . . . . A 88 LEU HD21 . 31020 1 779 . 1 . 1 88 88 LEU HD22 H 1 0.8835 0.0000 . 2 . . . . A 88 LEU HD22 . 31020 1 780 . 1 . 1 88 88 LEU HD23 H 1 0.8835 0.0000 . 2 . . . . A 88 LEU HD23 . 31020 1 781 . 1 . 1 88 88 LEU CA C 13 56.6381 0.0000 . 1 . . 13684 . A 88 LEU CA . 31020 1 782 . 1 . 1 88 88 LEU CB C 13 42.7938 0.0000 . 1 . . 12277 . A 88 LEU CB . 31020 1 783 . 1 . 1 88 88 LEU CG C 13 28.2000 0.0000 . 1 . . 46040 . A 88 LEU CG . 31020 1 784 . 1 . 1 88 88 LEU CD1 C 13 26.8490 0.0000 . 2 . . . . A 88 LEU CD1 . 31020 1 785 . 1 . 1 88 88 LEU CD2 C 13 24.3025 0.0000 . 2 . . . . A 88 LEU CD2 . 31020 1 786 . 1 . 1 88 88 LEU N N 15 118.7468 0.0000 . 1 . . 12266 . A 88 LEU N . 31020 1 787 . 1 . 1 89 89 LYS H H 1 9.7135 0.0000 . 1 . . 12945 . A 89 LYS H . 31020 1 788 . 1 . 1 89 89 LYS HA H 1 4.8700 0.0000 . 1 . . . . A 89 LYS HA . 31020 1 789 . 1 . 1 89 89 LYS HB2 H 1 1.5000 0.0000 . 2 . . . . A 89 LYS HB2 . 31020 1 790 . 1 . 1 89 89 LYS HG2 H 1 1.6100 0.0000 . 2 . . . . A 89 LYS HG2 . 31020 1 791 . 1 . 1 89 89 LYS HG3 H 1 1.6300 0.0000 . 2 . . . . A 89 LYS HG3 . 31020 1 792 . 1 . 1 89 89 LYS HD2 H 1 1.5100 0.0000 . 2 . . . . A 89 LYS HD2 . 31020 1 793 . 1 . 1 89 89 LYS HD3 H 1 1.4986 0.0000 . 2 . . . . A 89 LYS HD3 . 31020 1 794 . 1 . 1 89 89 LYS HE2 H 1 2.9000 0.0000 . 2 . . . . A 89 LYS HE2 . 31020 1 795 . 1 . 1 89 89 LYS CA C 13 53.5261 0.0000 . 1 . . 13804 . A 89 LYS CA . 31020 1 796 . 1 . 1 89 89 LYS CB C 13 34.3572 0.0000 . 1 . . 12058 . A 89 LYS CB . 31020 1 797 . 1 . 1 89 89 LYS CG C 13 24.9800 0.0000 . 1 . . . . A 89 LYS CG . 31020 1 798 . 1 . 1 89 89 LYS CD C 13 29.5700 0.0000 . 1 . . . . A 89 LYS CD . 31020 1 799 . 1 . 1 89 89 LYS CE C 13 42.2000 0.0000 . 1 . . . . A 89 LYS CE . 31020 1 800 . 1 . 1 89 89 LYS N N 15 122.5501 0.0000 . 1 . . 12947 . A 89 LYS N . 31020 1 801 . 1 . 1 90 90 PRO HA H 1 4.3700 0.0000 . 1 . . . . A 90 PRO HA . 31020 1 802 . 1 . 1 90 90 PRO HB2 H 1 2.3900 0.0000 . 2 . . . . A 90 PRO HB2 . 31020 1 803 . 1 . 1 90 90 PRO HG2 H 1 1.5700 0.0000 . 2 . . . . A 90 PRO HG2 . 31020 1 804 . 1 . 1 90 90 PRO HG3 H 1 1.7500 0.0000 . 2 . . . . A 90 PRO HG3 . 31020 1 805 . 1 . 1 90 90 PRO HD2 H 1 3.1700 0.0000 . 2 . . . . A 90 PRO HD2 . 31020 1 806 . 1 . 1 90 90 PRO CA C 13 66.3126 0.0000 . 1 . . 14236 . A 90 PRO CA . 31020 1 807 . 1 . 1 90 90 PRO CB C 13 31.9965 0.0000 . 1 . . 13225 . A 90 PRO CB . 31020 1 808 . 1 . 1 90 90 PRO CG C 13 28.6700 0.0000 . 1 . . . . A 90 PRO CG . 31020 1 809 . 1 . 1 91 91 GLU H H 1 9.4481 0.0000 . 1 . . 12456 . A 91 GLU H . 31020 1 810 . 1 . 1 91 91 GLU HA H 1 4.3270 0.0000 . 1 . . 47740 . A 91 GLU HA . 31020 1 811 . 1 . 1 91 91 GLU HG2 H 1 2.2720 0.0000 . 2 . . 37946 . A 91 GLU HG2 . 31020 1 812 . 1 . 1 91 91 GLU CA C 13 58.8545 0.0000 . 1 . . 13555 . A 91 GLU CA . 31020 1 813 . 1 . 1 91 91 GLU CB C 13 28.4089 0.0000 . 1 . . 12451 . A 91 GLU CB . 31020 1 814 . 1 . 1 91 91 GLU CG C 13 36.5600 0.0000 . 1 . . 46244 . A 91 GLU CG . 31020 1 815 . 1 . 1 91 91 GLU N N 15 115.3953 0.0000 . 1 . . 12458 . A 91 GLU N . 31020 1 816 . 1 . 1 92 92 ASP H H 1 8.6737 0.0000 . 1 . . 14163 . A 92 ASP H . 31020 1 817 . 1 . 1 92 92 ASP HA H 1 4.7890 0.0000 . 1 . . 37865 . A 92 ASP HA . 31020 1 818 . 1 . 1 92 92 ASP HB2 H 1 3.0860 0.0000 . 2 . . 37880 . A 92 ASP HB2 . 31020 1 819 . 1 . 1 92 92 ASP HB3 H 1 2.8230 0.0000 . 2 . . 37883 . A 92 ASP HB3 . 31020 1 820 . 1 . 1 92 92 ASP CA C 13 55.2023 0.0000 . 1 . . 13735 . A 92 ASP CA . 31020 1 821 . 1 . 1 92 92 ASP CB C 13 42.1213 0.0000 . 1 . . 12280 . A 92 ASP CB . 31020 1 822 . 1 . 1 92 92 ASP N N 15 118.7833 0.0000 . 1 . . 14165 . A 92 ASP N . 31020 1 823 . 1 . 1 93 93 THR H H 1 7.9037 0.0000 . 1 . . 12195 . A 93 THR H . 31020 1 824 . 1 . 1 93 93 THR HA H 1 4.3000 0.0000 . 1 . . . . A 93 THR HA . 31020 1 825 . 1 . 1 93 93 THR HB H 1 4.3600 0.0000 . 1 . . . . A 93 THR HB . 31020 1 826 . 1 . 1 93 93 THR HG21 H 1 1.5067 0.0000 . 1 . . . . A 93 THR HG21 . 31020 1 827 . 1 . 1 93 93 THR HG22 H 1 1.5067 0.0000 . 1 . . . . A 93 THR HG22 . 31020 1 828 . 1 . 1 93 93 THR HG23 H 1 1.5067 0.0000 . 1 . . . . A 93 THR HG23 . 31020 1 829 . 1 . 1 93 93 THR CA C 13 65.0694 0.0000 . 1 . . 12196 . A 93 THR CA . 31020 1 830 . 1 . 1 93 93 THR CB C 13 70.0465 0.0000 . 1 . . 12190 . A 93 THR CB . 31020 1 831 . 1 . 1 93 93 THR CG2 C 13 21.4714 0.0000 . 1 . . . . A 93 THR CG2 . 31020 1 832 . 1 . 1 93 93 THR N N 15 120.1734 0.0000 . 1 . . 12197 . A 93 THR N . 31020 1 833 . 1 . 1 94 94 ALA H H 1 9.1053 0.0000 . 1 . . 12765 . A 94 ALA H . 31020 1 834 . 1 . 1 94 94 ALA HA H 1 4.4930 0.0000 . 1 . . 47820 . A 94 ALA HA . 31020 1 835 . 1 . 1 94 94 ALA HB1 H 1 1.1373 0.0000 . 1 . . 37964 . A 94 ALA HB1 . 31020 1 836 . 1 . 1 94 94 ALA HB2 H 1 1.1373 0.0000 . 1 . . 37964 . A 94 ALA HB2 . 31020 1 837 . 1 . 1 94 94 ALA HB3 H 1 1.1373 0.0000 . 1 . . 37964 . A 94 ALA HB3 . 31020 1 838 . 1 . 1 94 94 ALA CA C 13 52.7929 0.0000 . 1 . . 11800 . A 94 ALA CA . 31020 1 839 . 1 . 1 94 94 ALA CB C 13 21.5001 0.0000 . 1 . . 11809 . A 94 ALA CB . 31020 1 840 . 1 . 1 94 94 ALA N N 15 128.4650 0.0000 . 1 . . 12767 . A 94 ALA N . 31020 1 841 . 1 . 1 95 95 VAL H H 1 7.6862 0.0000 . 1 . . 12297 . A 95 VAL H . 31020 1 842 . 1 . 1 95 95 VAL HA H 1 4.4130 0.0000 . 1 . . 47823 . A 95 VAL HA . 31020 1 843 . 1 . 1 95 95 VAL HB H 1 1.9190 0.0000 . 1 . . 47826 . A 95 VAL HB . 31020 1 844 . 1 . 1 95 95 VAL HG11 H 1 1.0901 0.0000 . 2 . . . . A 95 VAL HG11 . 31020 1 845 . 1 . 1 95 95 VAL HG12 H 1 1.0901 0.0000 . 2 . . . . A 95 VAL HG12 . 31020 1 846 . 1 . 1 95 95 VAL HG13 H 1 1.0901 0.0000 . 2 . . . . A 95 VAL HG13 . 31020 1 847 . 1 . 1 95 95 VAL HG21 H 1 0.4064 0.0000 . 2 . . . . A 95 VAL HG21 . 31020 1 848 . 1 . 1 95 95 VAL HG22 H 1 0.4064 0.0000 . 2 . . . . A 95 VAL HG22 . 31020 1 849 . 1 . 1 95 95 VAL HG23 H 1 0.4064 0.0000 . 2 . . . . A 95 VAL HG23 . 31020 1 850 . 1 . 1 95 95 VAL CA C 13 62.7869 0.0000 . 1 . . 13456 . A 95 VAL CA . 31020 1 851 . 1 . 1 95 95 VAL CB C 13 32.2148 0.0000 . 1 . . 12298 . A 95 VAL CB . 31020 1 852 . 1 . 1 95 95 VAL CG1 C 13 21.9735 0.0000 . 2 . . . . A 95 VAL CG1 . 31020 1 853 . 1 . 1 95 95 VAL CG2 C 13 21.8226 0.0000 . 2 . . . . A 95 VAL CG2 . 31020 1 854 . 1 . 1 95 95 VAL N N 15 118.5492 0.0000 . 1 . . 12299 . A 95 VAL N . 31020 1 855 . 1 . 1 96 96 TYR H H 1 9.1873 0.0000 . 1 . . 12786 . A 96 TYR H . 31020 1 856 . 1 . 1 96 96 TYR HA H 1 5.2230 0.0000 . 1 . . 47829 . A 96 TYR HA . 31020 1 857 . 1 . 1 96 96 TYR HB2 H 1 2.8500 0.0000 . 2 . . 37979 . A 96 TYR HB2 . 31020 1 858 . 1 . 1 96 96 TYR HB3 H 1 2.9500 0.0000 . 2 . . . . A 96 TYR HB3 . 31020 1 859 . 1 . 1 96 96 TYR HD1 H 1 6.9700 0.0000 . 3 . . . . A 96 TYR HD1 . 31020 1 860 . 1 . 1 96 96 TYR HE1 H 1 6.6828 0.0000 . 3 . . . . A 96 TYR HE1 . 31020 1 861 . 1 . 1 96 96 TYR CA C 13 58.0711 0.0000 . 1 . . 13576 . A 96 TYR CA . 31020 1 862 . 1 . 1 96 96 TYR CB C 13 41.2666 0.0000 . 1 . . 11815 . A 96 TYR CB . 31020 1 863 . 1 . 1 96 96 TYR CE1 C 13 118.2294 0.0000 . 3 . . . . A 96 TYR CE1 . 31020 1 864 . 1 . 1 96 96 TYR N N 15 127.6623 0.0000 . 1 . . 12788 . A 96 TYR N . 31020 1 865 . 1 . 1 97 97 TYR H H 1 9.4001 0.0000 . 1 . . 14181 . A 97 TYR H . 31020 1 866 . 1 . 1 97 97 TYR HA H 1 5.1500 0.0000 . 1 . . . . A 97 TYR HA . 31020 1 867 . 1 . 1 97 97 TYR HB2 H 1 2.7800 0.0000 . 2 . . . . A 97 TYR HB2 . 31020 1 868 . 1 . 1 97 97 TYR HB3 H 1 2.7600 0.0000 . 2 . . . . A 97 TYR HB3 . 31020 1 869 . 1 . 1 97 97 TYR HD1 H 1 6.9079 0.0000 . 3 . . . . A 97 TYR HD1 . 31020 1 870 . 1 . 1 97 97 TYR HE1 H 1 6.5814 0.0000 . 3 . . . . A 97 TYR HE1 . 31020 1 871 . 1 . 1 97 97 TYR CA C 13 56.3577 0.0000 . 1 . . 13687 . A 97 TYR CA . 31020 1 872 . 1 . 1 97 97 TYR CB C 13 44.6355 0.0000 . 1 . . 12319 . A 97 TYR CB . 31020 1 873 . 1 . 1 97 97 TYR CD1 C 13 133.2986 0.0000 . 3 . . . . A 97 TYR CD1 . 31020 1 874 . 1 . 1 97 97 TYR CE1 C 13 118.4434 0.0000 . 3 . . . . A 97 TYR CE1 . 31020 1 875 . 1 . 1 97 97 TYR N N 15 118.1509 0.0000 . 1 . . 14183 . A 97 TYR N . 31020 1 876 . 1 . 1 99 99 ASN H H 1 8.4054 0.0000 . 1 . . . . A 99 ASN H . 31020 1 877 . 1 . 1 99 99 ASN N N 15 124.0854 0.0000 . 1 . . . . A 99 ASN N . 31020 1 878 . 1 . 1 100 100 VAL H H 1 7.7085 0.0000 . 1 . . . . A 100 VAL H . 31020 1 879 . 1 . 1 100 100 VAL HA H 1 4.2230 0.0000 . 1 . . 37598 . A 100 VAL HA . 31020 1 880 . 1 . 1 100 100 VAL HB H 1 1.7430 0.0000 . 1 . . 37646 . A 100 VAL HB . 31020 1 881 . 1 . 1 100 100 VAL HG11 H 1 0.5521 0.0000 . 2 . . . . A 100 VAL HG11 . 31020 1 882 . 1 . 1 100 100 VAL HG12 H 1 0.5521 0.0000 . 2 . . . . A 100 VAL HG12 . 31020 1 883 . 1 . 1 100 100 VAL HG13 H 1 0.5521 0.0000 . 2 . . . . A 100 VAL HG13 . 31020 1 884 . 1 . 1 100 100 VAL HG21 H 1 0.2191 0.0000 . 2 . . . . A 100 VAL HG21 . 31020 1 885 . 1 . 1 100 100 VAL HG22 H 1 0.2191 0.0000 . 2 . . . . A 100 VAL HG22 . 31020 1 886 . 1 . 1 100 100 VAL HG23 H 1 0.2191 0.0000 . 2 . . . . A 100 VAL HG23 . 31020 1 887 . 1 . 1 100 100 VAL CA C 13 60.1303 0.0000 . 1 . . 16721 . A 100 VAL CA . 31020 1 888 . 1 . 1 100 100 VAL CB C 13 35.7027 0.0000 . 1 . . 16731 . A 100 VAL CB . 31020 1 889 . 1 . 1 100 100 VAL CG1 C 13 21.4415 0.0000 . 2 . . . . A 100 VAL CG1 . 31020 1 890 . 1 . 1 100 100 VAL CG2 C 13 18.9763 0.0000 . 2 . . . . A 100 VAL CG2 . 31020 1 891 . 1 . 1 100 100 VAL N N 15 121.7694 0.0000 . 1 . . . . A 100 VAL N . 31020 1 892 . 1 . 1 101 101 ASN H H 1 8.6743 0.0000 . 1 . . 12852 . A 101 ASN H . 31020 1 893 . 1 . 1 101 101 ASN HA H 1 5.1960 0.0000 . 1 . . 37637 . A 101 ASN HA . 31020 1 894 . 1 . 1 101 101 ASN HB2 H 1 2.7260 0.0000 . 2 . . 37640 . A 101 ASN HB2 . 31020 1 895 . 1 . 1 101 101 ASN HB3 H 1 2.4360 0.0000 . 2 . . 37643 . A 101 ASN HB3 . 31020 1 896 . 1 . 1 101 101 ASN CA C 13 51.7619 0.0000 . 1 . . 11908 . A 101 ASN CA . 31020 1 897 . 1 . 1 101 101 ASN CB C 13 39.0024 0.0000 . 1 . . 11911 . A 101 ASN CB . 31020 1 898 . 1 . 1 101 101 ASN N N 15 125.4026 0.0000 . 1 . . 12854 . A 101 ASN N . 31020 1 899 . 1 . 1 102 102 VAL H H 1 7.6509 0.0000 . 1 . . 14388 . A 102 VAL H . 31020 1 900 . 1 . 1 102 102 VAL HA H 1 4.0900 0.0000 . 1 . . . . A 102 VAL HA . 31020 1 901 . 1 . 1 102 102 VAL HB H 1 1.8160 0.0000 . 1 . . . . A 102 VAL HB . 31020 1 902 . 1 . 1 102 102 VAL HG11 H 1 -0.3377 0.0000 . 2 . . . . A 102 VAL HG11 . 31020 1 903 . 1 . 1 102 102 VAL HG12 H 1 -0.3377 0.0000 . 2 . . . . A 102 VAL HG12 . 31020 1 904 . 1 . 1 102 102 VAL HG13 H 1 -0.3377 0.0000 . 2 . . . . A 102 VAL HG13 . 31020 1 905 . 1 . 1 102 102 VAL HG21 H 1 0.3532 0.0000 . 2 . . . . A 102 VAL HG21 . 31020 1 906 . 1 . 1 102 102 VAL HG22 H 1 0.3532 0.0000 . 2 . . . . A 102 VAL HG22 . 31020 1 907 . 1 . 1 102 102 VAL HG23 H 1 0.3532 0.0000 . 2 . . . . A 102 VAL HG23 . 31020 1 908 . 1 . 1 102 102 VAL CA C 13 59.9759 0.0000 . 1 . . 11923 . A 102 VAL CA . 31020 1 909 . 1 . 1 102 102 VAL CB C 13 30.6600 0.0000 . 1 . . . . A 102 VAL CB . 31020 1 910 . 1 . 1 102 102 VAL CG1 C 13 19.5214 0.0000 . 2 . . . . A 102 VAL CG1 . 31020 1 911 . 1 . 1 102 102 VAL CG2 C 13 21.0429 0.0000 . 2 . . . . A 102 VAL CG2 . 31020 1 912 . 1 . 1 102 102 VAL N N 15 125.0918 0.0000 . 1 . . 14389 . A 102 VAL N . 31020 1 913 . 1 . 1 103 103 GLY H H 1 8.1137 0.0000 . 1 . . 13917 . A 103 GLY H . 31020 1 914 . 1 . 1 103 103 GLY HA2 H 1 4.3150 0.0000 . 2 . . 37913 . A 103 GLY HA2 . 31020 1 915 . 1 . 1 103 103 GLY HA3 H 1 3.3980 0.0000 . 2 . . 37925 . A 103 GLY HA3 . 31020 1 916 . 1 . 1 103 103 GLY CA C 13 46.3185 0.0000 . 1 . . 13918 . A 103 GLY CA . 31020 1 917 . 1 . 1 103 103 GLY N N 15 115.2292 0.0000 . 1 . . 13919 . A 103 GLY N . 31020 1 918 . 1 . 1 104 104 PHE H H 1 7.1647 0.0000 . 1 . . 14464 . A 104 PHE H . 31020 1 919 . 1 . 1 104 104 PHE HA H 1 4.4040 0.0000 . 1 . . 37829 . A 104 PHE HA . 31020 1 920 . 1 . 1 104 104 PHE HB2 H 1 2.6960 0.0000 . 2 . . 37841 . A 104 PHE HB2 . 31020 1 921 . 1 . 1 104 104 PHE HD1 H 1 6.9257 0.0000 . 3 . . . . A 104 PHE HD1 . 31020 1 922 . 1 . 1 104 104 PHE HE1 H 1 7.2500 0.0000 . 3 . . . . A 104 PHE HE1 . 31020 1 923 . 1 . 1 104 104 PHE CA C 13 56.1349 0.0000 . 1 . . 13702 . A 104 PHE CA . 31020 1 924 . 1 . 1 104 104 PHE CB C 13 40.6779 0.0000 . 1 . . 12283 . A 104 PHE CB . 31020 1 925 . 1 . 1 104 104 PHE CD1 C 13 132.1505 0.0000 . 3 . . . . A 104 PHE CD1 . 31020 1 926 . 1 . 1 104 104 PHE CE1 C 13 131.2207 0.0000 . 3 . . . . A 104 PHE CE1 . 31020 1 927 . 1 . 1 104 104 PHE N N 15 119.0683 0.0000 . 1 . . 14465 . A 104 PHE N . 31020 1 928 . 1 . 1 105 105 GLU H H 1 7.9762 0.0000 . 1 . . 14133 . A 105 GLU H . 31020 1 929 . 1 . 1 105 105 GLU HA H 1 4.2210 0.0000 . 1 . . 37739 . A 105 GLU HA . 31020 1 930 . 1 . 1 105 105 GLU HB2 H 1 1.6540 0.0000 . 2 . . 47832 . A 105 GLU HB2 . 31020 1 931 . 1 . 1 105 105 GLU HG2 H 1 1.9930 0.0000 . 2 . . 37742 . A 105 GLU HG2 . 31020 1 932 . 1 . 1 105 105 GLU CA C 13 56.5614 0.0000 . 1 . . 12148 . A 105 GLU CA . 31020 1 933 . 1 . 1 105 105 GLU CB C 13 30.1705 0.0000 . 1 . . 12169 . A 105 GLU CB . 31020 1 934 . 1 . 1 105 105 GLU CG C 13 35.3400 0.0000 . 1 . . 45998 . A 105 GLU CG . 31020 1 935 . 1 . 1 105 105 GLU N N 15 120.9212 0.0000 . 1 . . 14135 . A 105 GLU N . 31020 1 936 . 1 . 1 106 106 TYR H H 1 8.6813 0.0000 . 1 . . 12021 . A 106 TYR H . 31020 1 937 . 1 . 1 106 106 TYR HA H 1 4.7340 0.0000 . 1 . . 37826 . A 106 TYR HA . 31020 1 938 . 1 . 1 106 106 TYR HB2 H 1 2.7050 0.0000 . 2 . . 47835 . A 106 TYR HB2 . 31020 1 939 . 1 . 1 106 106 TYR HB3 H 1 2.4750 0.0000 . 2 . . 37844 . A 106 TYR HB3 . 31020 1 940 . 1 . 1 106 106 TYR HD1 H 1 6.9669 0.0000 . 3 . . . . A 106 TYR HD1 . 31020 1 941 . 1 . 1 106 106 TYR HE1 H 1 6.7464 0.0000 . 3 . . . . A 106 TYR HE1 . 31020 1 942 . 1 . 1 106 106 TYR CA C 13 58.5030 0.0000 . 1 . . 12013 . A 106 TYR CA . 31020 1 943 . 1 . 1 106 106 TYR CB C 13 41.4590 0.0000 . 1 . . 12022 . A 106 TYR CB . 31020 1 944 . 1 . 1 106 106 TYR CD1 C 13 133.0265 0.0000 . 3 . . . . A 106 TYR CD1 . 31020 1 945 . 1 . 1 106 106 TYR CE1 C 13 118.1994 0.0000 . 3 . . . . A 106 TYR CE1 . 31020 1 946 . 1 . 1 106 106 TYR N N 15 123.0528 0.0000 . 1 . . 12023 . A 106 TYR N . 31020 1 947 . 1 . 1 107 107 TRP H H 1 8.4699 0.0000 . 1 . . 12159 . A 107 TRP H . 31020 1 948 . 1 . 1 107 107 TRP HA H 1 5.3345 0.0000 . 1 . . . . A 107 TRP HA . 31020 1 949 . 1 . 1 107 107 TRP HB2 H 1 3.3890 0.0000 . 2 . . 38156 . A 107 TRP HB2 . 31020 1 950 . 1 . 1 107 107 TRP HB3 H 1 2.8450 0.0000 . 2 . . 38159 . A 107 TRP HB3 . 31020 1 951 . 1 . 1 107 107 TRP HD1 H 1 6.9626 0.0000 . 1 . . . . A 107 TRP HD1 . 31020 1 952 . 1 . 1 107 107 TRP HE1 H 1 9.6917 0.0000 . 1 . . . . A 107 TRP HE1 . 31020 1 953 . 1 . 1 107 107 TRP CA C 13 55.5357 0.0000 . 1 . . 13708 . A 107 TRP CA . 31020 1 954 . 1 . 1 107 107 TRP CB C 13 33.9095 0.0000 . 1 . . 12166 . A 107 TRP CB . 31020 1 955 . 1 . 1 107 107 TRP CD1 C 13 126.6496 0.0000 . 1 . . . . A 107 TRP CD1 . 31020 1 956 . 1 . 1 107 107 TRP N N 15 121.2185 0.0000 . 1 . . 12161 . A 107 TRP N . 31020 1 957 . 1 . 1 107 107 TRP NE1 N 15 128.8800 0.0000 . 1 . . . . A 107 TRP NE1 . 31020 1 958 . 1 . 1 108 108 GLY H H 1 8.1778 0.0000 . 1 . . 14316 . A 108 GLY H . 31020 1 959 . 1 . 1 108 108 GLY HA2 H 1 5.4960 0.0000 . 2 . . 38009 . A 108 GLY HA2 . 31020 1 960 . 1 . 1 108 108 GLY HA3 H 1 4.6340 0.0000 . 2 . . 38018 . A 108 GLY HA3 . 31020 1 961 . 1 . 1 108 108 GLY CA C 13 45.9245 0.0000 . 1 . . 13933 . A 108 GLY CA . 31020 1 962 . 1 . 1 108 108 GLY N N 15 110.2948 0.0000 . 1 . . 14318 . A 108 GLY N . 31020 1 963 . 1 . 1 109 109 GLN H H 1 8.3319 0.0000 . 1 . . 14486 . A 109 GLN H . 31020 1 964 . 1 . 1 109 109 GLN HA H 1 4.5390 0.0000 . 1 . . 38129 . A 109 GLN HA . 31020 1 965 . 1 . 1 109 109 GLN HB2 H 1 2.3730 0.0000 . 2 . . 38147 . A 109 GLN HB2 . 31020 1 966 . 1 . 1 109 109 GLN HG2 H 1 2.7340 0.0000 . 2 . . 38144 . A 109 GLN HG2 . 31020 1 967 . 1 . 1 109 109 GLN CA C 13 57.0621 0.0000 . 1 . . 12358 . A 109 GLN CA . 31020 1 968 . 1 . 1 109 109 GLN CB C 13 29.5362 0.0000 . 1 . . 12376 . A 109 GLN CB . 31020 1 969 . 1 . 1 109 109 GLN N N 15 117.0594 0.0000 . 1 . . 14487 . A 109 GLN N . 31020 1 970 . 1 . 1 110 110 GLY H H 1 9.7889 0.0000 . 1 . . 13332 . A 110 GLY H . 31020 1 971 . 1 . 1 110 110 GLY HA2 H 1 3.7040 0.0000 . 2 . . 47838 . A 110 GLY HA2 . 31020 1 972 . 1 . 1 110 110 GLY HA3 H 1 3.5650 0.0000 . 2 . . 38063 . A 110 GLY HA3 . 31020 1 973 . 1 . 1 110 110 GLY CA C 13 44.1815 0.0000 . 1 . . 12532 . A 110 GLY CA . 31020 1 974 . 1 . 1 110 110 GLY N N 15 111.7063 0.0000 . 1 . . 13334 . A 110 GLY N . 31020 1 975 . 1 . 1 111 111 THR H H 1 8.5311 0.0000 . 1 . . 12438 . A 111 THR H . 31020 1 976 . 1 . 1 111 111 THR HA H 1 4.8020 0.0000 . 1 . . 37493 . A 111 THR HA . 31020 1 977 . 1 . 1 111 111 THR HB H 1 3.8000 0.0000 . 1 . . 47841 . A 111 THR HB . 31020 1 978 . 1 . 1 111 111 THR HG21 H 1 1.1583 0.0000 . 1 . . 37499 . A 111 THR HG21 . 31020 1 979 . 1 . 1 111 111 THR HG22 H 1 1.1583 0.0000 . 1 . . 37499 . A 111 THR HG22 . 31020 1 980 . 1 . 1 111 111 THR HG23 H 1 1.1583 0.0000 . 1 . . 37499 . A 111 THR HG23 . 31020 1 981 . 1 . 1 111 111 THR CA C 13 60.2033 0.0000 . 1 . . 13516 . A 111 THR CA . 31020 1 982 . 1 . 1 111 111 THR CB C 13 70.7655 0.0000 . 1 . . 12439 . A 111 THR CB . 31020 1 983 . 1 . 1 111 111 THR CG2 C 13 20.1105 0.0000 . 1 . . 45773 . A 111 THR CG2 . 31020 1 984 . 1 . 1 111 111 THR N N 15 115.8498 0.0000 . 1 . . 12440 . A 111 THR N . 31020 1 985 . 1 . 1 112 112 GLN H H 1 8.7829 0.0000 . 1 . . 11766 . A 112 GLN H . 31020 1 986 . 1 . 1 112 112 GLN HA H 1 4.4990 0.0000 . 1 . . 37505 . A 112 GLN HA . 31020 1 987 . 1 . 1 112 112 GLN HB2 H 1 1.9720 0.0000 . 2 . . 37511 . A 112 GLN HB2 . 31020 1 988 . 1 . 1 112 112 GLN HG2 H 1 2.2230 0.0000 . 2 . . 37508 . A 112 GLN HG2 . 31020 1 989 . 1 . 1 112 112 GLN CA C 13 56.6965 0.0000 . 1 . . 13663 . A 112 GLN CA . 31020 1 990 . 1 . 1 112 112 GLN CB C 13 29.6964 0.0000 . 1 . . 11761 . A 112 GLN CB . 31020 1 991 . 1 . 1 112 112 GLN CG C 13 33.5640 0.0000 . 1 . . 45782 . A 112 GLN CG . 31020 1 992 . 1 . 1 112 112 GLN N N 15 131.1475 0.0000 . 1 . . 11768 . A 112 GLN N . 31020 1 993 . 1 . 1 113 113 VAL H H 1 9.0066 0.0000 . 1 . . 11775 . A 113 VAL H . 31020 1 994 . 1 . 1 113 113 VAL HA H 1 4.3260 0.0000 . 1 . . 37655 . A 113 VAL HA . 31020 1 995 . 1 . 1 113 113 VAL HB H 1 2.4840 0.0000 . 1 . . 47844 . A 113 VAL HB . 31020 1 996 . 1 . 1 113 113 VAL HG11 H 1 0.6721 0.0000 . 2 . . . . A 113 VAL HG11 . 31020 1 997 . 1 . 1 113 113 VAL HG12 H 1 0.6721 0.0000 . 2 . . . . A 113 VAL HG12 . 31020 1 998 . 1 . 1 113 113 VAL HG13 H 1 0.6721 0.0000 . 2 . . . . A 113 VAL HG13 . 31020 1 999 . 1 . 1 113 113 VAL HG21 H 1 0.6732 0.0000 . 2 . . . . A 113 VAL HG21 . 31020 1 1000 . 1 . 1 113 113 VAL HG22 H 1 0.6732 0.0000 . 2 . . . . A 113 VAL HG22 . 31020 1 1001 . 1 . 1 113 113 VAL HG23 H 1 0.6732 0.0000 . 2 . . . . A 113 VAL HG23 . 31020 1 1002 . 1 . 1 113 113 VAL CA C 13 62.0561 0.0000 . 1 . . 11773 . A 113 VAL CA . 31020 1 1003 . 1 . 1 113 113 VAL CB C 13 34.0888 0.0000 . 1 . . 11770 . A 113 VAL CB . 31020 1 1004 . 1 . 1 113 113 VAL CG1 C 13 23.6815 0.0000 . 2 . . . . A 113 VAL CG1 . 31020 1 1005 . 1 . 1 113 113 VAL CG2 C 13 20.0452 0.0000 . 2 . . . . A 113 VAL CG2 . 31020 1 1006 . 1 . 1 113 113 VAL N N 15 129.2407 0.0000 . 1 . . 11777 . A 113 VAL N . 31020 1 1007 . 1 . 1 114 114 THR H H 1 8.1762 0.0000 . 1 . . 11916 . A 114 THR H . 31020 1 1008 . 1 . 1 114 114 THR HA H 1 4.6068 0.0000 . 1 . . . . A 114 THR HA . 31020 1 1009 . 1 . 1 114 114 THR HB H 1 3.7712 0.0000 . 1 . . . . A 114 THR HB . 31020 1 1010 . 1 . 1 114 114 THR HG21 H 1 1.1070 0.0000 . 1 . . 37529 . A 114 THR HG21 . 31020 1 1011 . 1 . 1 114 114 THR HG22 H 1 1.1070 0.0000 . 1 . . 37529 . A 114 THR HG22 . 31020 1 1012 . 1 . 1 114 114 THR HG23 H 1 1.1070 0.0000 . 1 . . 37529 . A 114 THR HG23 . 31020 1 1013 . 1 . 1 114 114 THR CA C 13 61.8587 0.0000 . 1 . . 11920 . A 114 THR CA . 31020 1 1014 . 1 . 1 114 114 THR CB C 13 70.2620 0.0000 . 1 . . 11917 . A 114 THR CB . 31020 1 1015 . 1 . 1 114 114 THR CG2 C 13 21.7820 0.0000 . 1 . . 45788 . A 114 THR CG2 . 31020 1 1016 . 1 . 1 114 114 THR N N 15 124.7390 0.0000 . 1 . . 11918 . A 114 THR N . 31020 1 1017 . 1 . 1 115 115 VAL H H 1 8.5477 0.0000 . 1 . . 11793 . A 115 VAL H . 31020 1 1018 . 1 . 1 115 115 VAL HA H 1 4.8720 0.0000 . 1 . . . . A 115 VAL HA . 31020 1 1019 . 1 . 1 115 115 VAL HB H 1 1.9900 0.0000 . 1 . . . . A 115 VAL HB . 31020 1 1020 . 1 . 1 115 115 VAL HG11 H 1 0.6203 0.0000 . 2 . . . . A 115 VAL HG11 . 31020 1 1021 . 1 . 1 115 115 VAL HG12 H 1 0.6203 0.0000 . 2 . . . . A 115 VAL HG12 . 31020 1 1022 . 1 . 1 115 115 VAL HG13 H 1 0.6203 0.0000 . 2 . . . . A 115 VAL HG13 . 31020 1 1023 . 1 . 1 115 115 VAL HG21 H 1 0.3262 0.0000 . 2 . . . . A 115 VAL HG21 . 31020 1 1024 . 1 . 1 115 115 VAL HG22 H 1 0.3262 0.0000 . 2 . . . . A 115 VAL HG22 . 31020 1 1025 . 1 . 1 115 115 VAL HG23 H 1 0.3262 0.0000 . 2 . . . . A 115 VAL HG23 . 31020 1 1026 . 1 . 1 115 115 VAL CA C 13 59.7671 0.0000 . 1 . . 11794 . A 115 VAL CA . 31020 1 1027 . 1 . 1 115 115 VAL CB C 13 31.1641 0.0000 . 1 . . 11803 . A 115 VAL CB . 31020 1 1028 . 1 . 1 115 115 VAL CG1 C 13 20.6315 0.0000 . 2 . . . . A 115 VAL CG1 . 31020 1 1029 . 1 . 1 115 115 VAL CG2 C 13 20.1639 0.0000 . 2 . . . . A 115 VAL CG2 . 31020 1 1030 . 1 . 1 115 115 VAL N N 15 128.7391 0.0000 . 1 . . 11795 . A 115 VAL N . 31020 1 1031 . 1 . 1 116 116 SER H H 1 8.3507 0.0000 . 1 . . 12672 . A 116 SER H . 31020 1 1032 . 1 . 1 116 116 SER HA H 1 4.5400 0.0000 . 1 . . . . A 116 SER HA . 31020 1 1033 . 1 . 1 116 116 SER HB2 H 1 3.7500 0.0000 . 2 . . . . A 116 SER HB2 . 31020 1 1034 . 1 . 1 116 116 SER HB3 H 1 3.5110 0.0000 . 2 . . . . A 116 SER HB3 . 31020 1 1035 . 1 . 1 116 116 SER CA C 13 57.2776 0.0000 . 1 . . 13621 . A 116 SER CA . 31020 1 1036 . 1 . 1 116 116 SER CB C 13 64.7362 0.0000 . 1 . . 12241 . A 116 SER CB . 31020 1 1037 . 1 . 1 116 116 SER N N 15 119.4366 0.0000 . 1 . . 12674 . A 116 SER N . 31020 1 1038 . 1 . 1 123 123 HIS H H 1 7.9592 0.0000 . 1 . . . . A 123 HIS H . 31020 1 1039 . 1 . 1 123 123 HIS N N 15 125.6611 0.0000 . 1 . . . . A 123 HIS N . 31020 1 stop_ save_