data_5952 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5952 _Entry.Title ; 1H, 13C and 15N Chemical Shift Assignments for HPV-16 E2C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-09-15 _Entry.Accession_date 2003-09-16 _Entry.Last_release_date 2004-11-29 _Entry.Original_release_date 2004-11-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 Alejandro Nadra . D. . 5952 2 Tommaso Eliseo . . . 5952 3 Yu-Keung Mok . . . 5952 4 Fabio Almeida . L. . 5952 5 Diego Ferreiro . U. . 5952 6 Mark Bycroft . . . 5952 7 Maurizio Paci . . . 5952 8 Gonzalo 'de Prat-Gay' . . . 5952 9 Daniel Cicero . O. . 5952 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5952 coupling_constants 1 5952 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 374 5952 '15N chemical shifts' 81 5952 '1H chemical shifts' 583 5952 'coupling constants' 47 5952 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 . . 2004-11-29 2003-09-15 original author . 5952 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5952 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Solution structure of the HPV-16 E2 DNA binding domain, a transcriptional regulator with a dimeric beta-barrel fold. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 211 _Citation.Page_last 214 _Citation.Year 2004 _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.Entry_ID _Citation_author.Citation_ID 1 Alejandro Nadra . D. . 5952 1 2 Tommaso Eliseo . . . 5952 1 3 Yu-Keung Mok . . . 5952 1 4 Fabio Almeida . C.L. . 5952 1 5 Mark Bycroft . . . 5952 1 6 Maurizio Paci . . . 5952 1 7 Gonzalo 'de Prat-Gay' . . . 5952 1 8 Daniel Cicero . O. . 5952 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_molecular_system_E2C_dimer _Assembly.Sf_category assembly _Assembly.Sf_framecode molecular_system_E2C_dimer _Assembly.Entry_ID 5952 _Assembly.ID 1 _Assembly.Name 'E2C dimer' _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 'all free' _Assembly.Molecular_mass 18500 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 5952 1 stop_ 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 'E2C HPV-16, chain 1' 1 $E2C_HPV-16 . . . native . . 1 . . 5952 1 2 'E2C HPV-16, chain 2' 1 $E2C_HPV-16 . . . native . . 1 . . 5952 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'E2C dimer' abbreviation 5952 1 'E2C dimer' system 5952 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_E2C_HPV-16 _Entity.Sf_category entity _Entity.Sf_framecode E2C_HPV-16 _Entity.Entry_ID 5952 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'HPV-16 E2C' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MTPIVHLKGDANTLKCLRYR FKKHCTLYTAVSSTWHWTGH NVKHKSAIVTLTYDSEWQRD QFLSQVKIPKTITVSTGFMS I ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 6877 . "HPV E2C" . . . . . 100.00 81 100.00 100.00 3.79e-52 . . . . 5952 1 2 no PDB 1BY9 . "Crystal Structure Of The E2 Dna-Binding Domain From Human Papillomavirus Type-16: Implications For Its Dna Binding- Site Select" . . . . . 98.77 81 100.00 100.00 2.72e-51 . . . . 5952 1 3 no PDB 1R8P . "Hpv-16 E2c Solution Structure" . . . . . 100.00 81 100.00 100.00 3.79e-52 . . . . 5952 1 4 no PDB 1ZZF . "The Dna-Bound Solution Structure Of Hpv-16 E2 Dna-Binding Domain" . . . . . 100.00 81 100.00 100.00 3.79e-52 . . . . 5952 1 5 no PDB 2Q79 . "Crystal Structure Of Single Chain E2c From Hpv16 With A 12aa Linker For Monomerization" . . . . . 98.77 93 100.00 100.00 1.14e-51 . . . . 5952 1 6 no PDB 3MI7 . "An Enhanced Repressor Of Human Papillomavirus E2 Protein" . . . . . 98.77 85 97.50 97.50 1.54e-49 . . . . 5952 1 7 no DBJ BAN63221 . "E2 protein [Human papillomavirus type 16]" . . . . . 98.77 365 98.75 98.75 4.64e-48 . . . . 5952 1 8 no DBJ BAN63229 . "E2 protein [Human papillomavirus type 16]" . . . . . 98.77 365 98.75 98.75 4.64e-48 . . . . 5952 1 9 no DBJ BAN63253 . "E2 protein [Human papillomavirus type 16]" . . . . . 98.77 365 97.50 98.75 2.03e-47 . . . . 5952 1 10 no DBJ BAN63261 . "E2 protein [Human papillomavirus type 16]" . . . . . 98.77 365 97.50 98.75 1.73e-47 . . . . 5952 1 11 no DBJ BAN63269 . "E2 protein [Human papillomavirus type 16]" . . . . . 98.77 365 97.50 98.75 2.10e-47 . . . . 5952 1 12 no GB AAA46941 . "regulatory protein [Human papillomavirus type 16]" . . . . . 98.77 365 100.00 100.00 9.14e-49 . . . . 5952 1 13 no GB AAD03824 . "regulatory protein E2 [Human papillomavirus type 16]" . . . . . 98.77 365 100.00 100.00 9.14e-49 . . . . 5952 1 14 no GB AAD03825 . "regulatory protein E2 [Human papillomavirus type 16]" . . . . . 98.77 365 100.00 100.00 8.13e-49 . . . . 5952 1 15 no GB AAD03826 . "regulatory protein E2 [Human papillomavirus type 16]" . . . . . 98.77 365 100.00 100.00 8.13e-49 . . . . 5952 1 16 no GB AAD03827 . "regulatory protein E2 [Human papillomavirus type 16]" . . . . . 98.77 365 98.75 98.75 4.59e-48 . . . . 5952 1 17 no REF NP_041328 . "regulatory protein [Human papillomavirus type 16]" . . . . . 98.77 365 100.00 100.00 9.14e-49 . . . . 5952 1 18 no SP P03120 . "RecName: Full=Regulatory protein E2 [Human papillomavirus type 16]" . . . . . 98.77 365 100.00 100.00 9.14e-49 . . . . 5952 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Auxiliary replication factor' 5952 1 'Transcription regulator' 5952 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'HPV-16 E2C' abbreviation 5952 1 'HPV-16 E2C' common 5952 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5952 1 2 . THR . 5952 1 3 . PRO . 5952 1 4 . ILE . 5952 1 5 . VAL . 5952 1 6 . HIS . 5952 1 7 . LEU . 5952 1 8 . LYS . 5952 1 9 . GLY . 5952 1 10 . ASP . 5952 1 11 . ALA . 5952 1 12 . ASN . 5952 1 13 . THR . 5952 1 14 . LEU . 5952 1 15 . LYS . 5952 1 16 . CYS . 5952 1 17 . LEU . 5952 1 18 . ARG . 5952 1 19 . TYR . 5952 1 20 . ARG . 5952 1 21 . PHE . 5952 1 22 . LYS . 5952 1 23 . LYS . 5952 1 24 . HIS . 5952 1 25 . CYS . 5952 1 26 . THR . 5952 1 27 . LEU . 5952 1 28 . TYR . 5952 1 29 . THR . 5952 1 30 . ALA . 5952 1 31 . VAL . 5952 1 32 . SER . 5952 1 33 . SER . 5952 1 34 . THR . 5952 1 35 . TRP . 5952 1 36 . HIS . 5952 1 37 . TRP . 5952 1 38 . THR . 5952 1 39 . GLY . 5952 1 40 . HIS . 5952 1 41 . ASN . 5952 1 42 . VAL . 5952 1 43 . LYS . 5952 1 44 . HIS . 5952 1 45 . LYS . 5952 1 46 . SER . 5952 1 47 . ALA . 5952 1 48 . ILE . 5952 1 49 . VAL . 5952 1 50 . THR . 5952 1 51 . LEU . 5952 1 52 . THR . 5952 1 53 . TYR . 5952 1 54 . ASP . 5952 1 55 . SER . 5952 1 56 . GLU . 5952 1 57 . TRP . 5952 1 58 . GLN . 5952 1 59 . ARG . 5952 1 60 . ASP . 5952 1 61 . GLN . 5952 1 62 . PHE . 5952 1 63 . LEU . 5952 1 64 . SER . 5952 1 65 . GLN . 5952 1 66 . VAL . 5952 1 67 . LYS . 5952 1 68 . ILE . 5952 1 69 . PRO . 5952 1 70 . LYS . 5952 1 71 . THR . 5952 1 72 . ILE . 5952 1 73 . THR . 5952 1 74 . VAL . 5952 1 75 . SER . 5952 1 76 . THR . 5952 1 77 . GLY . 5952 1 78 . PHE . 5952 1 79 . MET . 5952 1 80 . SER . 5952 1 81 . ILE . 5952 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 5952 1 . THR 2 2 5952 1 . PRO 3 3 5952 1 . ILE 4 4 5952 1 . VAL 5 5 5952 1 . HIS 6 6 5952 1 . LEU 7 7 5952 1 . LYS 8 8 5952 1 . GLY 9 9 5952 1 . ASP 10 10 5952 1 . ALA 11 11 5952 1 . ASN 12 12 5952 1 . THR 13 13 5952 1 . LEU 14 14 5952 1 . LYS 15 15 5952 1 . CYS 16 16 5952 1 . LEU 17 17 5952 1 . ARG 18 18 5952 1 . TYR 19 19 5952 1 . ARG 20 20 5952 1 . PHE 21 21 5952 1 . LYS 22 22 5952 1 . LYS 23 23 5952 1 . HIS 24 24 5952 1 . CYS 25 25 5952 1 . THR 26 26 5952 1 . LEU 27 27 5952 1 . TYR 28 28 5952 1 . THR 29 29 5952 1 . ALA 30 30 5952 1 . VAL 31 31 5952 1 . SER 32 32 5952 1 . SER 33 33 5952 1 . THR 34 34 5952 1 . TRP 35 35 5952 1 . HIS 36 36 5952 1 . TRP 37 37 5952 1 . THR 38 38 5952 1 . GLY 39 39 5952 1 . HIS 40 40 5952 1 . ASN 41 41 5952 1 . VAL 42 42 5952 1 . LYS 43 43 5952 1 . HIS 44 44 5952 1 . LYS 45 45 5952 1 . SER 46 46 5952 1 . ALA 47 47 5952 1 . ILE 48 48 5952 1 . VAL 49 49 5952 1 . THR 50 50 5952 1 . LEU 51 51 5952 1 . THR 52 52 5952 1 . TYR 53 53 5952 1 . ASP 54 54 5952 1 . SER 55 55 5952 1 . GLU 56 56 5952 1 . TRP 57 57 5952 1 . GLN 58 58 5952 1 . ARG 59 59 5952 1 . ASP 60 60 5952 1 . GLN 61 61 5952 1 . PHE 62 62 5952 1 . LEU 63 63 5952 1 . SER 64 64 5952 1 . GLN 65 65 5952 1 . VAL 66 66 5952 1 . LYS 67 67 5952 1 . ILE 68 68 5952 1 . PRO 69 69 5952 1 . LYS 70 70 5952 1 . THR 71 71 5952 1 . ILE 72 72 5952 1 . THR 73 73 5952 1 . VAL 74 74 5952 1 . SER 75 75 5952 1 . THR 76 76 5952 1 . GLY 77 77 5952 1 . PHE 78 78 5952 1 . MET 79 79 5952 1 . SER 80 80 5952 1 . ILE 81 81 5952 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 5952 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $E2C_HPV-16 . 10581 virus . 'Papillomavirus Human papillomavirus 16' 'Human papillomavirus 16' . . Viruses . Papillomavirus 'Human papillomavirus 16' . . . . . . . . . . . . . . . . . . . . . 5952 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 5952 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $E2C_HPV-16 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5952 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5952 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'HPV-16 E2C' '[U-13C; U-15N]' . . 1 $E2C_HPV-16 . . . 0.7 1.4 mM . . . . 5952 1 2 'Sodium Phosphate' . . . . . . . 50 . . mM . . . . 5952 1 3 DTT . . . . . . . 5 . . mM . . . . 5952 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 5952 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 n/a 5952 1 temperature 303 0.1 K 5952 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 5952 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 5952 _NMR_spectrometer_list.ID 1 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 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 5952 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 5952 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 . . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 5952 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5952 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 H2O protons . . . . ppm . . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5952 1 H 1 H2O protons . . . . ppm 4.67 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5952 1 N 15 H2O protons . . . . ppm . . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5952 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 5952 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5952 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 53.880 . . 1 . . . . . . . . 5952 1 2 . 1 1 1 1 MET HA H 1 3.898 . . 1 . . . . . . . . 5952 1 3 . 1 1 1 1 MET CB C 13 33.586 . . 1 . . . . . . . . 5952 1 4 . 1 1 1 1 MET HB3 H 1 1.986 . . 1 . . . . . . . . 5952 1 5 . 1 1 1 1 MET HB2 H 1 1.986 . . 1 . . . . . . . . 5952 1 6 . 1 1 1 1 MET CG C 13 29.795 . . 1 . . . . . . . . 5952 1 7 . 1 1 1 1 MET HG3 H 1 2.612 . . 1 . . . . . . . . 5952 1 8 . 1 1 1 1 MET HG2 H 1 2.612 . . 1 . . . . . . . . 5952 1 9 . 1 1 1 1 MET CE C 13 14.710 . . 1 . . . . . . . . 5952 1 10 . 1 1 1 1 MET HE1 H 1 1.887 . . 1 . . . . . . . . 5952 1 11 . 1 1 1 1 MET HE2 H 1 1.887 . . 1 . . . . . . . . 5952 1 12 . 1 1 1 1 MET HE3 H 1 1.887 . . 1 . . . . . . . . 5952 1 13 . 1 1 2 2 THR N N 15 121.790 . . 1 . . . . . . . . 5952 1 14 . 1 1 2 2 THR H H 1 8.878 . . 1 . . . . . . . . 5952 1 15 . 1 1 2 2 THR CA C 13 58.507 . . 1 . . . . . . . . 5952 1 16 . 1 1 2 2 THR HA H 1 5.056 . . 1 . . . . . . . . 5952 1 17 . 1 1 2 2 THR CB C 13 69.890 . . 1 . . . . . . . . 5952 1 18 . 1 1 2 2 THR HB H 1 4.376 . . 1 . . . . . . . . 5952 1 19 . 1 1 2 2 THR CG2 C 13 19.110 . . 1 . . . . . . . . 5952 1 20 . 1 1 2 2 THR HG21 H 1 1.578 . . 1 . . . . . . . . 5952 1 21 . 1 1 2 2 THR HG22 H 1 1.578 . . 1 . . . . . . . . 5952 1 22 . 1 1 2 2 THR HG23 H 1 1.578 . . 1 . . . . . . . . 5952 1 23 . 1 1 2 2 THR C C 13 170.390 . . 1 . . . . . . . . 5952 1 24 . 1 1 3 3 PRO CA C 13 60.659 . . 1 . . . . . . . . 5952 1 25 . 1 1 3 3 PRO HA H 1 4.581 . . 1 . . . . . . . . 5952 1 26 . 1 1 3 3 PRO CB C 13 29.344 . . 1 . . . . . . . . 5952 1 27 . 1 1 3 3 PRO HB3 H 1 1.711 . . 2 . . . . . . . . 5952 1 28 . 1 1 3 3 PRO HB2 H 1 2.064 . . 2 . . . . . . . . 5952 1 29 . 1 1 3 3 PRO CG C 13 25.253 . . 1 . . . . . . . . 5952 1 30 . 1 1 3 3 PRO HG3 H 1 1.899 . . 2 . . . . . . . . 5952 1 31 . 1 1 3 3 PRO HG2 H 1 2.030 . . 2 . . . . . . . . 5952 1 32 . 1 1 3 3 PRO CD C 13 48.960 . . 1 . . . . . . . . 5952 1 33 . 1 1 3 3 PRO HD3 H 1 4.260 . . 2 . . . . . . . . 5952 1 34 . 1 1 3 3 PRO HD2 H 1 4.370 . . 2 . . . . . . . . 5952 1 35 . 1 1 3 3 PRO C C 13 173.757 . . 1 . . . . . . . . 5952 1 36 . 1 1 4 4 ILE N N 15 113.718 . . 1 . . . . . . . . 5952 1 37 . 1 1 4 4 ILE H H 1 8.306 . . 1 . . . . . . . . 5952 1 38 . 1 1 4 4 ILE CA C 13 56.829 . . 1 . . . . . . . . 5952 1 39 . 1 1 4 4 ILE HA H 1 5.945 . . 1 . . . . . . . . 5952 1 40 . 1 1 4 4 ILE CB C 13 42.297 . . 1 . . . . . . . . 5952 1 41 . 1 1 4 4 ILE HB H 1 1.910 . . 1 . . . . . . . . 5952 1 42 . 1 1 4 4 ILE CG1 C 13 23.840 . . 2 . . . . . . . . 5952 1 43 . 1 1 4 4 ILE HG13 H 1 0.515 . . 1 . . . . . . . . 5952 1 44 . 1 1 4 4 ILE HG12 H 1 0.806 . . 1 . . . . . . . . 5952 1 45 . 1 1 4 4 ILE CD1 C 13 12.277 . . 1 . . . . . . . . 5952 1 46 . 1 1 4 4 ILE HD11 H 1 0.508 . . 1 . . . . . . . . 5952 1 47 . 1 1 4 4 ILE HD12 H 1 0.508 . . 1 . . . . . . . . 5952 1 48 . 1 1 4 4 ILE HD13 H 1 0.508 . . 1 . . . . . . . . 5952 1 49 . 1 1 4 4 ILE CG2 C 13 17.410 . . 1 . . . . . . . . 5952 1 50 . 1 1 4 4 ILE HG21 H 1 1.070 . . 1 . . . . . . . . 5952 1 51 . 1 1 4 4 ILE HG22 H 1 1.070 . . 1 . . . . . . . . 5952 1 52 . 1 1 4 4 ILE HG23 H 1 1.070 . . 1 . . . . . . . . 5952 1 53 . 1 1 4 4 ILE C C 13 175.236 . . 1 . . . . . . . . 5952 1 54 . 1 1 5 5 VAL N N 15 120.210 . . 1 . . . . . . . . 5952 1 55 . 1 1 5 5 VAL H H 1 8.708 . . 1 . . . . . . . . 5952 1 56 . 1 1 5 5 VAL CA C 13 58.695 . . 1 . . . . . . . . 5952 1 57 . 1 1 5 5 VAL HA H 1 4.780 . . 1 . . . . . . . . 5952 1 58 . 1 1 5 5 VAL CB C 13 34.850 . . 1 . . . . . . . . 5952 1 59 . 1 1 5 5 VAL HB H 1 2.162 . . 1 . . . . . . . . 5952 1 60 . 1 1 5 5 VAL CG2 C 13 21.780 . . 1 . . . . . . . . 5952 1 61 . 1 1 5 5 VAL HG21 H 1 1.009 . . 2 . . . . . . . . 5952 1 62 . 1 1 5 5 VAL HG22 H 1 1.009 . . 2 . . . . . . . . 5952 1 63 . 1 1 5 5 VAL HG23 H 1 1.009 . . 2 . . . . . . . . 5952 1 64 . 1 1 5 5 VAL CG1 C 13 20.302 . . 1 . . . . . . . . 5952 1 65 . 1 1 5 5 VAL HG11 H 1 0.993 . . 2 . . . . . . . . 5952 1 66 . 1 1 5 5 VAL HG12 H 1 0.993 . . 2 . . . . . . . . 5952 1 67 . 1 1 5 5 VAL HG13 H 1 0.993 . . 2 . . . . . . . . 5952 1 68 . 1 1 5 5 VAL C C 13 173.149 . . 1 . . . . . . . . 5952 1 69 . 1 1 6 6 HIS N N 15 121.150 . . 1 . . . . . . . . 5952 1 70 . 1 1 6 6 HIS H H 1 8.848 . . 1 . . . . . . . . 5952 1 71 . 1 1 6 6 HIS CA C 13 51.880 . . 1 . . . . . . . . 5952 1 72 . 1 1 6 6 HIS HA H 1 5.705 . . 1 . . . . . . . . 5952 1 73 . 1 1 6 6 HIS CB C 13 32.095 . . 1 . . . . . . . . 5952 1 74 . 1 1 6 6 HIS HB3 H 1 2.953 . . 2 . . . . . . . . 5952 1 75 . 1 1 6 6 HIS HB2 H 1 2.631 . . 2 . . . . . . . . 5952 1 76 . 1 1 6 6 HIS HD2 H 1 7.027 . . 1 . . . . . . . . 5952 1 77 . 1 1 6 6 HIS CE1 C 13 135.670 . . 1 . . . . . . . . 5952 1 78 . 1 1 6 6 HIS HE1 H 1 7.755 . . 1 . . . . . . . . 5952 1 79 . 1 1 6 6 HIS C C 13 172.927 . . 1 . . . . . . . . 5952 1 80 . 1 1 7 7 LEU N N 15 122.911 . . 1 . . . . . . . . 5952 1 81 . 1 1 7 7 LEU H H 1 9.425 . . 1 . . . . . . . . 5952 1 82 . 1 1 7 7 LEU CA C 13 50.310 . . 1 . . . . . . . . 5952 1 83 . 1 1 7 7 LEU HA H 1 5.197 . . 1 . . . . . . . . 5952 1 84 . 1 1 7 7 LEU CB C 13 40.840 . . 1 . . . . . . . . 5952 1 85 . 1 1 7 7 LEU HB3 H 1 1.100 . . 2 . . . . . . . . 5952 1 86 . 1 1 7 7 LEU HB2 H 1 1.922 . . 2 . . . . . . . . 5952 1 87 . 1 1 7 7 LEU HG H 1 1.711 . . 1 . . . . . . . . 5952 1 88 . 1 1 7 7 LEU CD1 C 13 23.406 . . 1 . . . . . . . . 5952 1 89 . 1 1 7 7 LEU HD11 H 1 0.971 . . 2 . . . . . . . . 5952 1 90 . 1 1 7 7 LEU HD12 H 1 0.971 . . 2 . . . . . . . . 5952 1 91 . 1 1 7 7 LEU HD13 H 1 0.971 . . 2 . . . . . . . . 5952 1 92 . 1 1 7 7 LEU CD2 C 13 25.170 . . 1 . . . . . . . . 5952 1 93 . 1 1 7 7 LEU HD21 H 1 1.035 . . 2 . . . . . . . . 5952 1 94 . 1 1 7 7 LEU HD22 H 1 1.035 . . 2 . . . . . . . . 5952 1 95 . 1 1 7 7 LEU HD23 H 1 1.035 . . 2 . . . . . . . . 5952 1 96 . 1 1 7 7 LEU C C 13 173.200 . . 1 . . . . . . . . 5952 1 97 . 1 1 8 8 LYS N N 15 119.549 . . 1 . . . . . . . . 5952 1 98 . 1 1 8 8 LYS H H 1 8.673 . . 1 . . . . . . . . 5952 1 99 . 1 1 8 8 LYS CA C 13 51.980 . . 1 . . . . . . . . 5952 1 100 . 1 1 8 8 LYS HA H 1 5.582 . . 1 . . . . . . . . 5952 1 101 . 1 1 8 8 LYS CB C 13 33.170 . . 1 . . . . . . . . 5952 1 102 . 1 1 8 8 LYS HB3 H 1 1.745 . . 2 . . . . . . . . 5952 1 103 . 1 1 8 8 LYS HB2 H 1 1.670 . . 2 . . . . . . . . 5952 1 104 . 1 1 8 8 LYS HG3 H 1 0.995 . . 2 . . . . . . . . 5952 1 105 . 1 1 8 8 LYS HG2 H 1 1.218 . . 2 . . . . . . . . 5952 1 106 . 1 1 8 8 LYS CD C 13 27.400 . . 1 . . . . . . . . 5952 1 107 . 1 1 8 8 LYS HD3 H 1 1.814 . . 1 . . . . . . . . 5952 1 108 . 1 1 8 8 LYS HD2 H 1 1.814 . . 1 . . . . . . . . 5952 1 109 . 1 1 8 8 LYS C C 13 174.130 . . 1 . . . . . . . . 5952 1 110 . 1 1 9 9 GLY N N 15 109.660 . . 1 . . . . . . . . 5952 1 111 . 1 1 9 9 GLY H H 1 8.550 . . 1 . . . . . . . . 5952 1 112 . 1 1 9 9 GLY CA C 13 43.087 . . 1 . . . . . . . . 5952 1 113 . 1 1 9 9 GLY HA3 H 1 4.369 . . 2 . . . . . . . . 5952 1 114 . 1 1 9 9 GLY HA2 H 1 4.022 . . 2 . . . . . . . . 5952 1 115 . 1 1 9 9 GLY C C 13 168.780 . . 1 . . . . . . . . 5952 1 116 . 1 1 10 10 ASP N N 15 120.989 . . 1 . . . . . . . . 5952 1 117 . 1 1 10 10 ASP H H 1 8.294 . . 1 . . . . . . . . 5952 1 118 . 1 1 10 10 ASP CA C 13 51.960 . . 1 . . . . . . . . 5952 1 119 . 1 1 10 10 ASP HA H 1 4.603 . . 1 . . . . . . . . 5952 1 120 . 1 1 10 10 ASP CB C 13 40.535 . . 1 . . . . . . . . 5952 1 121 . 1 1 10 10 ASP HB3 H 1 2.684 . . 2 . . . . . . . . 5952 1 122 . 1 1 10 10 ASP HB2 H 1 2.824 . . 2 . . . . . . . . 5952 1 123 . 1 1 10 10 ASP C C 13 174.666 . . 1 . . . . . . . . 5952 1 124 . 1 1 11 11 ALA N N 15 126.236 . . 1 . . . . . . . . 5952 1 125 . 1 1 11 11 ALA H H 1 9.004 . . 1 . . . . . . . . 5952 1 126 . 1 1 11 11 ALA CA C 13 53.600 . . 1 . . . . . . . . 5952 1 127 . 1 1 11 11 ALA HA H 1 3.832 . . 1 . . . . . . . . 5952 1 128 . 1 1 11 11 ALA CB C 13 16.300 . . 1 . . . . . . . . 5952 1 129 . 1 1 11 11 ALA HB1 H 1 1.494 . . 1 . . . . . . . . 5952 1 130 . 1 1 11 11 ALA HB2 H 1 1.494 . . 1 . . . . . . . . 5952 1 131 . 1 1 11 11 ALA HB3 H 1 1.494 . . 1 . . . . . . . . 5952 1 132 . 1 1 11 11 ALA C C 13 177.907 . . 1 . . . . . . . . 5952 1 133 . 1 1 12 12 ASN N N 15 116.910 . . 1 . . . . . . . . 5952 1 134 . 1 1 12 12 ASN H H 1 8.765 . . 1 . . . . . . . . 5952 1 135 . 1 1 12 12 ASN CA C 13 54.389 . . 1 . . . . . . . . 5952 1 136 . 1 1 12 12 ASN HA H 1 4.541 . . 1 . . . . . . . . 5952 1 137 . 1 1 12 12 ASN CB C 13 35.642 . . 1 . . . . . . . . 5952 1 138 . 1 1 12 12 ASN HB3 H 1 2.874 . . 2 . . . . . . . . 5952 1 139 . 1 1 12 12 ASN HB2 H 1 3.006 . . 2 . . . . . . . . 5952 1 140 . 1 1 12 12 ASN CG C 13 174.450 . . 1 . . . . . . . . 5952 1 141 . 1 1 12 12 ASN ND2 N 15 113.720 . . 1 . . . . . . . . 5952 1 142 . 1 1 12 12 ASN HD21 H 1 7.869 . . 2 . . . . . . . . 5952 1 143 . 1 1 12 12 ASN HD22 H 1 7.049 . . 2 . . . . . . . . 5952 1 144 . 1 1 12 12 ASN C C 13 176.023 . . 1 . . . . . . . . 5952 1 145 . 1 1 13 13 THR N N 15 119.470 . . 1 . . . . . . . . 5952 1 146 . 1 1 13 13 THR H H 1 8.234 . . 1 . . . . . . . . 5952 1 147 . 1 1 13 13 THR CA C 13 64.460 . . 1 . . . . . . . . 5952 1 148 . 1 1 13 13 THR HA H 1 3.974 . . 1 . . . . . . . . 5952 1 149 . 1 1 13 13 THR CB C 13 65.520 . . 1 . . . . . . . . 5952 1 150 . 1 1 13 13 THR HB H 1 4.229 . . 1 . . . . . . . . 5952 1 151 . 1 1 13 13 THR CG2 C 13 19.590 . . 1 . . . . . . . . 5952 1 152 . 1 1 13 13 THR HG21 H 1 1.189 . . 1 . . . . . . . . 5952 1 153 . 1 1 13 13 THR HG22 H 1 1.189 . . 1 . . . . . . . . 5952 1 154 . 1 1 13 13 THR HG23 H 1 1.189 . . 1 . . . . . . . . 5952 1 155 . 1 1 13 13 THR C C 13 174.914 . . 1 . . . . . . . . 5952 1 156 . 1 1 14 14 LEU N N 15 120.440 . . 1 . . . . . . . . 5952 1 157 . 1 1 14 14 LEU H H 1 8.164 . . 1 . . . . . . . . 5952 1 158 . 1 1 14 14 LEU CA C 13 56.040 . . 1 . . . . . . . . 5952 1 159 . 1 1 14 14 LEU HA H 1 3.808 . . 1 . . . . . . . . 5952 1 160 . 1 1 14 14 LEU CB C 13 39.330 . . 1 . . . . . . . . 5952 1 161 . 1 1 14 14 LEU HB3 H 1 1.293 . . 2 . . . . . . . . 5952 1 162 . 1 1 14 14 LEU HB2 H 1 1.625 . . 2 . . . . . . . . 5952 1 163 . 1 1 14 14 LEU CG C 13 24.320 . . 1 . . . . . . . . 5952 1 164 . 1 1 14 14 LEU HG H 1 1.538 . . 1 . . . . . . . . 5952 1 165 . 1 1 14 14 LEU CD1 C 13 23.970 . . 1 . . . . . . . . 5952 1 166 . 1 1 14 14 LEU HD11 H 1 0.629 . . 2 . . . . . . . . 5952 1 167 . 1 1 14 14 LEU HD12 H 1 0.629 . . 2 . . . . . . . . 5952 1 168 . 1 1 14 14 LEU HD13 H 1 0.629 . . 2 . . . . . . . . 5952 1 169 . 1 1 14 14 LEU CD2 C 13 21.570 . . 1 . . . . . . . . 5952 1 170 . 1 1 14 14 LEU HD21 H 1 0.634 . . 2 . . . . . . . . 5952 1 171 . 1 1 14 14 LEU HD22 H 1 0.634 . . 2 . . . . . . . . 5952 1 172 . 1 1 14 14 LEU HD23 H 1 0.634 . . 2 . . . . . . . . 5952 1 173 . 1 1 14 14 LEU C C 13 176.073 . . 1 . . . . . . . . 5952 1 174 . 1 1 15 15 LYS N N 15 118.900 . . 1 . . . . . . . . 5952 1 175 . 1 1 15 15 LYS H H 1 7.972 . . 1 . . . . . . . . 5952 1 176 . 1 1 15 15 LYS CA C 13 57.670 . . 1 . . . . . . . . 5952 1 177 . 1 1 15 15 LYS HA H 1 3.872 . . 1 . . . . . . . . 5952 1 178 . 1 1 15 15 LYS CB C 13 29.900 . . 1 . . . . . . . . 5952 1 179 . 1 1 15 15 LYS HB3 H 1 2.099 . . 1 . . . . . . . . 5952 1 180 . 1 1 15 15 LYS HB2 H 1 2.099 . . 1 . . . . . . . . 5952 1 181 . 1 1 15 15 LYS CG C 13 22.900 . . 1 . . . . . . . . 5952 1 182 . 1 1 15 15 LYS HG3 H 1 1.627 . . 1 . . . . . . . . 5952 1 183 . 1 1 15 15 LYS HG2 H 1 1.627 . . 1 . . . . . . . . 5952 1 184 . 1 1 15 15 LYS CD C 13 26.510 . . 1 . . . . . . . . 5952 1 185 . 1 1 15 15 LYS HD3 H 1 1.672 . . 1 . . . . . . . . 5952 1 186 . 1 1 15 15 LYS HD2 H 1 1.672 . . 1 . . . . . . . . 5952 1 187 . 1 1 15 15 LYS CE C 13 39.450 . . 1 . . . . . . . . 5952 1 188 . 1 1 15 15 LYS HE3 H 1 3.054 . . 1 . . . . . . . . 5952 1 189 . 1 1 15 15 LYS HE2 H 1 3.054 . . 1 . . . . . . . . 5952 1 190 . 1 1 15 15 LYS C C 13 176.990 . . 1 . . . . . . . . 5952 1 191 . 1 1 16 16 CYS N N 15 116.910 . . 1 . . . . . . . . 5952 1 192 . 1 1 16 16 CYS H H 1 7.542 . . 1 . . . . . . . . 5952 1 193 . 1 1 16 16 CYS CA C 13 60.096 . . 1 . . . . . . . . 5952 1 194 . 1 1 16 16 CYS HA H 1 4.261 . . 1 . . . . . . . . 5952 1 195 . 1 1 16 16 CYS CB C 13 24.230 . . 1 . . . . . . . . 5952 1 196 . 1 1 16 16 CYS HB3 H 1 3.054 . . 2 . . . . . . . . 5952 1 197 . 1 1 16 16 CYS HB2 H 1 3.165 . . 2 . . . . . . . . 5952 1 198 . 1 1 16 16 CYS C C 13 175.603 . . 1 . . . . . . . . 5952 1 199 . 1 1 17 17 LEU N N 15 120.320 . . 1 . . . . . . . . 5952 1 200 . 1 1 17 17 LEU H H 1 8.146 . . 1 . . . . . . . . 5952 1 201 . 1 1 17 17 LEU CA C 13 55.000 . . 1 . . . . . . . . 5952 1 202 . 1 1 17 17 LEU HA H 1 3.836 . . 1 . . . . . . . . 5952 1 203 . 1 1 17 17 LEU CB C 13 39.469 . . 1 . . . . . . . . 5952 1 204 . 1 1 17 17 LEU HB3 H 1 1.280 . . 2 . . . . . . . . 5952 1 205 . 1 1 17 17 LEU HB2 H 1 1.617 . . 2 . . . . . . . . 5952 1 206 . 1 1 17 17 LEU CD1 C 13 22.660 . . 1 . . . . . . . . 5952 1 207 . 1 1 17 17 LEU HD11 H 1 0.949 . . 2 . . . . . . . . 5952 1 208 . 1 1 17 17 LEU HD12 H 1 0.949 . . 2 . . . . . . . . 5952 1 209 . 1 1 17 17 LEU HD13 H 1 0.949 . . 2 . . . . . . . . 5952 1 210 . 1 1 17 17 LEU CD2 C 13 24.270 . . 1 . . . . . . . . 5952 1 211 . 1 1 17 17 LEU HD21 H 1 0.904 . . 2 . . . . . . . . 5952 1 212 . 1 1 17 17 LEU HD22 H 1 0.904 . . 2 . . . . . . . . 5952 1 213 . 1 1 17 17 LEU HD23 H 1 0.904 . . 2 . . . . . . . . 5952 1 214 . 1 1 17 17 LEU C C 13 174.880 . . 1 . . . . . . . . 5952 1 215 . 1 1 18 18 ARG N N 15 116.294 . . 1 . . . . . . . . 5952 1 216 . 1 1 18 18 ARG H H 1 7.954 . . 1 . . . . . . . . 5952 1 217 . 1 1 18 18 ARG CA C 13 57.360 . . 1 . . . . . . . . 5952 1 218 . 1 1 18 18 ARG HA H 1 3.177 . . 1 . . . . . . . . 5952 1 219 . 1 1 18 18 ARG CB C 13 27.700 . . 1 . . . . . . . . 5952 1 220 . 1 1 18 18 ARG HB3 H 1 1.890 . . 2 . . . . . . . . 5952 1 221 . 1 1 18 18 ARG HB2 H 1 1.642 . . 2 . . . . . . . . 5952 1 222 . 1 1 18 18 ARG CG C 13 26.011 . . 1 . . . . . . . . 5952 1 223 . 1 1 18 18 ARG HG3 H 1 1.704 . . 2 . . . . . . . . 5952 1 224 . 1 1 18 18 ARG HG2 H 1 1.508 . . 2 . . . . . . . . 5952 1 225 . 1 1 18 18 ARG CD C 13 41.870 . . 1 . . . . . . . . 5952 1 226 . 1 1 18 18 ARG HD3 H 1 3.307 . . 1 . . . . . . . . 5952 1 227 . 1 1 18 18 ARG HD2 H 1 3.307 . . 1 . . . . . . . . 5952 1 228 . 1 1 18 18 ARG C C 13 176.400 . . 1 . . . . . . . . 5952 1 229 . 1 1 19 19 TYR N N 15 116.310 . . 1 . . . . . . . . 5952 1 230 . 1 1 19 19 TYR H H 1 7.348 . . 1 . . . . . . . . 5952 1 231 . 1 1 19 19 TYR CA C 13 58.750 . . 1 . . . . . . . . 5952 1 232 . 1 1 19 19 TYR HA H 1 4.299 . . 1 . . . . . . . . 5952 1 233 . 1 1 19 19 TYR CB C 13 35.600 . . 1 . . . . . . . . 5952 1 234 . 1 1 19 19 TYR HB3 H 1 3.231 . . 1 . . . . . . . . 5952 1 235 . 1 1 19 19 TYR HB2 H 1 3.231 . . 1 . . . . . . . . 5952 1 236 . 1 1 19 19 TYR CD1 C 13 130.930 . . 1 . . . . . . . . 5952 1 237 . 1 1 19 19 TYR HD1 H 1 7.263 . . 1 . . . . . . . . 5952 1 238 . 1 1 19 19 TYR CE1 C 13 116.230 . . 1 . . . . . . . . 5952 1 239 . 1 1 19 19 TYR HE1 H 1 6.942 . . 1 . . . . . . . . 5952 1 240 . 1 1 19 19 TYR CE2 C 13 116.230 . . 1 . . . . . . . . 5952 1 241 . 1 1 19 19 TYR HE2 H 1 6.942 . . 1 . . . . . . . . 5952 1 242 . 1 1 19 19 TYR CD2 C 13 130.930 . . 1 . . . . . . . . 5952 1 243 . 1 1 19 19 TYR HD2 H 1 7.263 . . 1 . . . . . . . . 5952 1 244 . 1 1 19 19 TYR C C 13 176.561 . . 1 . . . . . . . . 5952 1 245 . 1 1 20 20 ARG N N 15 118.980 . . 1 . . . . . . . . 5952 1 246 . 1 1 20 20 ARG H H 1 7.724 . . 1 . . . . . . . . 5952 1 247 . 1 1 20 20 ARG CA C 13 56.560 . . 1 . . . . . . . . 5952 1 248 . 1 1 20 20 ARG HA H 1 4.233 . . 1 . . . . . . . . 5952 1 249 . 1 1 20 20 ARG CB C 13 27.810 . . 1 . . . . . . . . 5952 1 250 . 1 1 20 20 ARG HB3 H 1 2.128 . . 1 . . . . . . . . 5952 1 251 . 1 1 20 20 ARG HB2 H 1 2.128 . . 1 . . . . . . . . 5952 1 252 . 1 1 20 20 ARG CG C 13 25.415 . . 1 . . . . . . . . 5952 1 253 . 1 1 20 20 ARG HG3 H 1 1.871 . . 2 . . . . . . . . 5952 1 254 . 1 1 20 20 ARG HG2 H 1 2.009 . . 2 . . . . . . . . 5952 1 255 . 1 1 20 20 ARG CD C 13 41.380 . . 1 . . . . . . . . 5952 1 256 . 1 1 20 20 ARG HD3 H 1 3.391 . . 2 . . . . . . . . 5952 1 257 . 1 1 20 20 ARG HD2 H 1 3.313 . . 2 . . . . . . . . 5952 1 258 . 1 1 20 20 ARG C C 13 177.291 . . 1 . . . . . . . . 5952 1 259 . 1 1 21 21 PHE N N 15 115.776 . . 1 . . . . . . . . 5952 1 260 . 1 1 21 21 PHE H H 1 8.359 . . 1 . . . . . . . . 5952 1 261 . 1 1 21 21 PHE CA C 13 54.424 . . 1 . . . . . . . . 5952 1 262 . 1 1 21 21 PHE HA H 1 4.988 . . 1 . . . . . . . . 5952 1 263 . 1 1 21 21 PHE CB C 13 34.480 . . 1 . . . . . . . . 5952 1 264 . 1 1 21 21 PHE HB3 H 1 3.500 . . 1 . . . . . . . . 5952 1 265 . 1 1 21 21 PHE HB2 H 1 3.500 . . 1 . . . . . . . . 5952 1 266 . 1 1 21 21 PHE HD1 H 1 7.020 . . 1 . . . . . . . . 5952 1 267 . 1 1 21 21 PHE HE1 H 1 6.716 . . 1 . . . . . . . . 5952 1 268 . 1 1 21 21 PHE HZ H 1 7.028 . . 1 . . . . . . . . 5952 1 269 . 1 1 21 21 PHE HE2 H 1 6.716 . . 1 . . . . . . . . 5952 1 270 . 1 1 21 21 PHE HD2 H 1 7.020 . . 1 . . . . . . . . 5952 1 271 . 1 1 21 21 PHE C C 13 176.460 . . 1 . . . . . . . . 5952 1 272 . 1 1 22 22 LYS N N 15 120.633 . . 1 . . . . . . . . 5952 1 273 . 1 1 22 22 LYS H H 1 7.802 . . 1 . . . . . . . . 5952 1 274 . 1 1 22 22 LYS CA C 13 57.460 . . 1 . . . . . . . . 5952 1 275 . 1 1 22 22 LYS HA H 1 4.392 . . 1 . . . . . . . . 5952 1 276 . 1 1 22 22 LYS CB C 13 29.780 . . 1 . . . . . . . . 5952 1 277 . 1 1 22 22 LYS HB3 H 1 2.030 . . 1 . . . . . . . . 5952 1 278 . 1 1 22 22 LYS HB2 H 1 2.030 . . 1 . . . . . . . . 5952 1 279 . 1 1 22 22 LYS CG C 13 22.687 . . 1 . . . . . . . . 5952 1 280 . 1 1 22 22 LYS HG3 H 1 1.415 . . 1 . . . . . . . . 5952 1 281 . 1 1 22 22 LYS HG2 H 1 1.415 . . 1 . . . . . . . . 5952 1 282 . 1 1 22 22 LYS CD C 13 27.104 . . 1 . . . . . . . . 5952 1 283 . 1 1 22 22 LYS HD3 H 1 1.799 . . 1 . . . . . . . . 5952 1 284 . 1 1 22 22 LYS HD2 H 1 1.799 . . 1 . . . . . . . . 5952 1 285 . 1 1 22 22 LYS HE3 H 1 3.003 . . 1 . . . . . . . . 5952 1 286 . 1 1 22 22 LYS HE2 H 1 3.003 . . 1 . . . . . . . . 5952 1 287 . 1 1 22 22 LYS C C 13 176.287 . . 1 . . . . . . . . 5952 1 288 . 1 1 23 23 LYS N N 15 115.998 . . 1 . . . . . . . . 5952 1 289 . 1 1 23 23 LYS H H 1 7.562 . . 1 . . . . . . . . 5952 1 290 . 1 1 23 23 LYS CA C 13 55.090 . . 1 . . . . . . . . 5952 1 291 . 1 1 23 23 LYS HA H 1 4.296 . . 1 . . . . . . . . 5952 1 292 . 1 1 23 23 LYS CB C 13 29.970 . . 1 . . . . . . . . 5952 1 293 . 1 1 23 23 LYS HB3 H 1 1.725 . . 2 . . . . . . . . 5952 1 294 . 1 1 23 23 LYS HB2 H 1 1.811 . . 2 . . . . . . . . 5952 1 295 . 1 1 23 23 LYS CG C 13 22.050 . . 1 . . . . . . . . 5952 1 296 . 1 1 23 23 LYS HG3 H 1 1.268 . . 1 . . . . . . . . 5952 1 297 . 1 1 23 23 LYS HG2 H 1 1.268 . . 1 . . . . . . . . 5952 1 298 . 1 1 23 23 LYS CD C 13 26.702 . . 1 . . . . . . . . 5952 1 299 . 1 1 23 23 LYS HD3 H 1 1.721 . . 1 . . . . . . . . 5952 1 300 . 1 1 23 23 LYS HD2 H 1 1.721 . . 1 . . . . . . . . 5952 1 301 . 1 1 23 23 LYS HE3 H 1 2.998 . . 1 . . . . . . . . 5952 1 302 . 1 1 23 23 LYS HE2 H 1 2.998 . . 1 . . . . . . . . 5952 1 303 . 1 1 23 23 LYS C C 13 174.719 . . 1 . . . . . . . . 5952 1 304 . 1 1 24 24 HIS N N 15 118.580 . . 1 . . . . . . . . 5952 1 305 . 1 1 24 24 HIS H H 1 8.079 . . 1 . . . . . . . . 5952 1 306 . 1 1 24 24 HIS CA C 13 52.760 . . 1 . . . . . . . . 5952 1 307 . 1 1 24 24 HIS HA H 1 5.212 . . 1 . . . . . . . . 5952 1 308 . 1 1 24 24 HIS CB C 13 27.790 . . 1 . . . . . . . . 5952 1 309 . 1 1 24 24 HIS HB3 H 1 3.021 . . 2 . . . . . . . . 5952 1 310 . 1 1 24 24 HIS HB2 H 1 3.536 . . 2 . . . . . . . . 5952 1 311 . 1 1 24 24 HIS CD2 C 13 120.680 . . 1 . . . . . . . . 5952 1 312 . 1 1 24 24 HIS HD2 H 1 7.000 . . 1 . . . . . . . . 5952 1 313 . 1 1 24 24 HIS CE1 C 13 135.670 . . 1 . . . . . . . . 5952 1 314 . 1 1 24 24 HIS HE1 H 1 7.737 . . 1 . . . . . . . . 5952 1 315 . 1 1 24 24 HIS C C 13 174.424 . . 1 . . . . . . . . 5952 1 316 . 1 1 25 25 CYS N N 15 115.303 . . 1 . . . . . . . . 5952 1 317 . 1 1 25 25 CYS H H 1 7.481 . . 1 . . . . . . . . 5952 1 318 . 1 1 25 25 CYS CA C 13 58.089 . . 1 . . . . . . . . 5952 1 319 . 1 1 25 25 CYS HA H 1 4.152 . . 1 . . . . . . . . 5952 1 320 . 1 1 25 25 CYS CB C 13 25.055 . . 1 . . . . . . . . 5952 1 321 . 1 1 25 25 CYS HB3 H 1 3.099 . . 1 . . . . . . . . 5952 1 322 . 1 1 25 25 CYS HB2 H 1 3.099 . . 1 . . . . . . . . 5952 1 323 . 1 1 25 25 CYS C C 13 172.393 . . 1 . . . . . . . . 5952 1 324 . 1 1 26 26 THR N N 15 109.426 . . 1 . . . . . . . . 5952 1 325 . 1 1 26 26 THR H H 1 7.834 . . 1 . . . . . . . . 5952 1 326 . 1 1 26 26 THR CA C 13 60.420 . . 1 . . . . . . . . 5952 1 327 . 1 1 26 26 THR HA H 1 4.487 . . 1 . . . . . . . . 5952 1 328 . 1 1 26 26 THR CB C 13 66.368 . . 1 . . . . . . . . 5952 1 329 . 1 1 26 26 THR HB H 1 4.575 . . 1 . . . . . . . . 5952 1 330 . 1 1 26 26 THR CG2 C 13 19.880 . . 1 . . . . . . . . 5952 1 331 . 1 1 26 26 THR HG21 H 1 1.355 . . 1 . . . . . . . . 5952 1 332 . 1 1 26 26 THR HG22 H 1 1.355 . . 1 . . . . . . . . 5952 1 333 . 1 1 26 26 THR HG23 H 1 1.355 . . 1 . . . . . . . . 5952 1 334 . 1 1 26 26 THR C C 13 173.793 . . 1 . . . . . . . . 5952 1 335 . 1 1 27 27 LEU N N 15 120.030 . . 1 . . . . . . . . 5952 1 336 . 1 1 27 27 LEU H H 1 8.250 . . 1 . . . . . . . . 5952 1 337 . 1 1 27 27 LEU CA C 13 52.330 . . 1 . . . . . . . . 5952 1 338 . 1 1 27 27 LEU HA H 1 4.640 . . 1 . . . . . . . . 5952 1 339 . 1 1 27 27 LEU CB C 13 41.190 . . 1 . . . . . . . . 5952 1 340 . 1 1 27 27 LEU HB3 H 1 2.154 . . 2 . . . . . . . . 5952 1 341 . 1 1 27 27 LEU HB2 H 1 2.291 . . 2 . . . . . . . . 5952 1 342 . 1 1 27 27 LEU HG H 1 1.755 . . 1 . . . . . . . . 5952 1 343 . 1 1 27 27 LEU CD1 C 13 23.310 . . 1 . . . . . . . . 5952 1 344 . 1 1 27 27 LEU HD11 H 1 0.952 . . 2 . . . . . . . . 5952 1 345 . 1 1 27 27 LEU HD12 H 1 0.952 . . 2 . . . . . . . . 5952 1 346 . 1 1 27 27 LEU HD13 H 1 0.952 . . 2 . . . . . . . . 5952 1 347 . 1 1 27 27 LEU CD2 C 13 21.210 . . 1 . . . . . . . . 5952 1 348 . 1 1 27 27 LEU HD21 H 1 0.870 . . 2 . . . . . . . . 5952 1 349 . 1 1 27 27 LEU HD22 H 1 0.870 . . 2 . . . . . . . . 5952 1 350 . 1 1 27 27 LEU HD23 H 1 0.870 . . 2 . . . . . . . . 5952 1 351 . 1 1 27 27 LEU C C 13 171.126 . . 1 . . . . . . . . 5952 1 352 . 1 1 28 28 TYR N N 15 109.939 . . 1 . . . . . . . . 5952 1 353 . 1 1 28 28 TYR H H 1 6.953 . . 1 . . . . . . . . 5952 1 354 . 1 1 28 28 TYR CA C 13 53.970 . . 1 . . . . . . . . 5952 1 355 . 1 1 28 28 TYR HA H 1 4.617 . . 1 . . . . . . . . 5952 1 356 . 1 1 28 28 TYR CB C 13 37.230 . . 1 . . . . . . . . 5952 1 357 . 1 1 28 28 TYR HB3 H 1 2.444 . . 2 . . . . . . . . 5952 1 358 . 1 1 28 28 TYR HB2 H 1 2.619 . . 2 . . . . . . . . 5952 1 359 . 1 1 28 28 TYR CD1 C 13 131.630 . . 1 . . . . . . . . 5952 1 360 . 1 1 28 28 TYR HD1 H 1 6.650 . . 1 . . . . . . . . 5952 1 361 . 1 1 28 28 TYR CE1 C 13 115.510 . . 1 . . . . . . . . 5952 1 362 . 1 1 28 28 TYR HE1 H 1 6.783 . . 1 . . . . . . . . 5952 1 363 . 1 1 28 28 TYR CE2 C 13 115.510 . . 1 . . . . . . . . 5952 1 364 . 1 1 28 28 TYR HE2 H 1 6.783 . . 1 . . . . . . . . 5952 1 365 . 1 1 28 28 TYR CD2 C 13 131.630 . . 1 . . . . . . . . 5952 1 366 . 1 1 28 28 TYR HD2 H 1 6.650 . . 1 . . . . . . . . 5952 1 367 . 1 1 28 28 TYR C C 13 172.080 . . 1 . . . . . . . . 5952 1 368 . 1 1 29 29 THR N N 15 112.484 . . 1 . . . . . . . . 5952 1 369 . 1 1 29 29 THR H H 1 8.910 . . 1 . . . . . . . . 5952 1 370 . 1 1 29 29 THR CA C 13 60.920 . . 1 . . . . . . . . 5952 1 371 . 1 1 29 29 THR HA H 1 4.284 . . 1 . . . . . . . . 5952 1 372 . 1 1 29 29 THR CB C 13 66.350 . . 1 . . . . . . . . 5952 1 373 . 1 1 29 29 THR HB H 1 4.030 . . 1 . . . . . . . . 5952 1 374 . 1 1 29 29 THR CG2 C 13 20.700 . . 1 . . . . . . . . 5952 1 375 . 1 1 29 29 THR HG21 H 1 1.167 . . 1 . . . . . . . . 5952 1 376 . 1 1 29 29 THR HG22 H 1 1.167 . . 1 . . . . . . . . 5952 1 377 . 1 1 29 29 THR HG23 H 1 1.167 . . 1 . . . . . . . . 5952 1 378 . 1 1 29 29 THR C C 13 172.401 . . 1 . . . . . . . . 5952 1 379 . 1 1 30 30 ALA N N 15 122.859 . . 1 . . . . . . . . 5952 1 380 . 1 1 30 30 ALA H H 1 7.388 . . 1 . . . . . . . . 5952 1 381 . 1 1 30 30 ALA CA C 13 49.510 . . 1 . . . . . . . . 5952 1 382 . 1 1 30 30 ALA HA H 1 4.844 . . 1 . . . . . . . . 5952 1 383 . 1 1 30 30 ALA CB C 13 20.180 . . 1 . . . . . . . . 5952 1 384 . 1 1 30 30 ALA HB1 H 1 1.003 . . 1 . . . . . . . . 5952 1 385 . 1 1 30 30 ALA HB2 H 1 1.003 . . 1 . . . . . . . . 5952 1 386 . 1 1 30 30 ALA HB3 H 1 1.003 . . 1 . . . . . . . . 5952 1 387 . 1 1 30 30 ALA C C 13 172.163 . . 1 . . . . . . . . 5952 1 388 . 1 1 31 31 VAL N N 15 116.214 . . 1 . . . . . . . . 5952 1 389 . 1 1 31 31 VAL H H 1 8.935 . . 1 . . . . . . . . 5952 1 390 . 1 1 31 31 VAL CA C 13 56.830 . . 1 . . . . . . . . 5952 1 391 . 1 1 31 31 VAL HA H 1 5.541 . . 1 . . . . . . . . 5952 1 392 . 1 1 31 31 VAL CB C 13 32.380 . . 1 . . . . . . . . 5952 1 393 . 1 1 31 31 VAL HB H 1 1.830 . . 1 . . . . . . . . 5952 1 394 . 1 1 31 31 VAL CG2 C 13 20.150 . . 1 . . . . . . . . 5952 1 395 . 1 1 31 31 VAL HG21 H 1 1.054 . . 2 . . . . . . . . 5952 1 396 . 1 1 31 31 VAL HG22 H 1 1.054 . . 2 . . . . . . . . 5952 1 397 . 1 1 31 31 VAL HG23 H 1 1.054 . . 2 . . . . . . . . 5952 1 398 . 1 1 31 31 VAL CG1 C 13 17.430 . . 1 . . . . . . . . 5952 1 399 . 1 1 31 31 VAL HG11 H 1 1.127 . . 2 . . . . . . . . 5952 1 400 . 1 1 31 31 VAL HG12 H 1 1.127 . . 2 . . . . . . . . 5952 1 401 . 1 1 31 31 VAL HG13 H 1 1.127 . . 2 . . . . . . . . 5952 1 402 . 1 1 31 31 VAL C C 13 173.179 . . 1 . . . . . . . . 5952 1 403 . 1 1 32 32 SER N N 15 127.650 . . 1 . . . . . . . . 5952 1 404 . 1 1 32 32 SER H H 1 9.980 . . 1 . . . . . . . . 5952 1 405 . 1 1 32 32 SER CA C 13 57.087 . . 1 . . . . . . . . 5952 1 406 . 1 1 32 32 SER HA H 1 5.354 . . 1 . . . . . . . . 5952 1 407 . 1 1 32 32 SER CB C 13 64.730 . . 1 . . . . . . . . 5952 1 408 . 1 1 32 32 SER HB3 H 1 3.589 . . 2 . . . . . . . . 5952 1 409 . 1 1 32 32 SER HB2 H 1 4.230 . . 2 . . . . . . . . 5952 1 410 . 1 1 32 32 SER C C 13 172.933 . . 1 . . . . . . . . 5952 1 411 . 1 1 33 33 SER N N 15 113.180 . . 1 . . . . . . . . 5952 1 412 . 1 1 33 33 SER H H 1 8.697 . . 1 . . . . . . . . 5952 1 413 . 1 1 33 33 SER CA C 13 56.500 . . 1 . . . . . . . . 5952 1 414 . 1 1 33 33 SER HA H 1 4.390 . . 1 . . . . . . . . 5952 1 415 . 1 1 33 33 SER CB C 13 61.380 . . 1 . . . . . . . . 5952 1 416 . 1 1 33 33 SER HB3 H 1 3.195 . . 2 . . . . . . . . 5952 1 417 . 1 1 33 33 SER HB2 H 1 4.333 . . 2 . . . . . . . . 5952 1 418 . 1 1 33 33 SER C C 13 172.020 . . 1 . . . . . . . . 5952 1 419 . 1 1 34 34 THR N N 15 117.850 . . 1 . . . . . . . . 5952 1 420 . 1 1 34 34 THR H H 1 8.990 . . 1 . . . . . . . . 5952 1 421 . 1 1 34 34 THR CA C 13 60.931 . . 1 . . . . . . . . 5952 1 422 . 1 1 34 34 THR HA H 1 4.804 . . 1 . . . . . . . . 5952 1 423 . 1 1 34 34 THR CB C 13 66.231 . . 1 . . . . . . . . 5952 1 424 . 1 1 34 34 THR HB H 1 4.121 . . 1 . . . . . . . . 5952 1 425 . 1 1 34 34 THR CG2 C 13 21.720 . . 1 . . . . . . . . 5952 1 426 . 1 1 34 34 THR HG21 H 1 1.218 . . 1 . . . . . . . . 5952 1 427 . 1 1 34 34 THR HG22 H 1 1.218 . . 1 . . . . . . . . 5952 1 428 . 1 1 34 34 THR HG23 H 1 1.218 . . 1 . . . . . . . . 5952 1 429 . 1 1 34 34 THR C C 13 173.110 . . 1 . . . . . . . . 5952 1 430 . 1 1 35 35 TRP N N 15 129.342 . . 1 . . . . . . . . 5952 1 431 . 1 1 35 35 TRP H H 1 9.672 . . 1 . . . . . . . . 5952 1 432 . 1 1 35 35 TRP CA C 13 52.818 . . 1 . . . . . . . . 5952 1 433 . 1 1 35 35 TRP HA H 1 4.865 . . 1 . . . . . . . . 5952 1 434 . 1 1 35 35 TRP CB C 13 29.530 . . 1 . . . . . . . . 5952 1 435 . 1 1 35 35 TRP HB3 H 1 2.708 . . 2 . . . . . . . . 5952 1 436 . 1 1 35 35 TRP HB2 H 1 2.963 . . 2 . . . . . . . . 5952 1 437 . 1 1 35 35 TRP CD1 C 13 126.700 . . 1 . . . . . . . . 5952 1 438 . 1 1 35 35 TRP HD1 H 1 7.102 . . 1 . . . . . . . . 5952 1 439 . 1 1 35 35 TRP NE1 N 15 126.010 . . 1 . . . . . . . . 5952 1 440 . 1 1 35 35 TRP HE1 H 1 8.569 . . 1 . . . . . . . . 5952 1 441 . 1 1 35 35 TRP CZ2 C 13 111.050 . . 1 . . . . . . . . 5952 1 442 . 1 1 35 35 TRP HZ2 H 1 6.420 . . 1 . . . . . . . . 5952 1 443 . 1 1 35 35 TRP CH2 C 13 119.800 . . 1 . . . . . . . . 5952 1 444 . 1 1 35 35 TRP HH2 H 1 6.150 . . 1 . . . . . . . . 5952 1 445 . 1 1 35 35 TRP HZ3 H 1 3.877 . . 1 . . . . . . . . 5952 1 446 . 1 1 35 35 TRP CE3 C 13 116.870 . . 1 . . . . . . . . 5952 1 447 . 1 1 35 35 TRP HE3 H 1 6.683 . . 1 . . . . . . . . 5952 1 448 . 1 1 35 35 TRP C C 13 169.863 . . 1 . . . . . . . . 5952 1 449 . 1 1 36 36 HIS N N 15 110.738 . . 1 . . . . . . . . 5952 1 450 . 1 1 36 36 HIS H H 1 8.071 . . 1 . . . . . . . . 5952 1 451 . 1 1 36 36 HIS CA C 13 52.510 . . 1 . . . . . . . . 5952 1 452 . 1 1 36 36 HIS HA H 1 4.318 . . 1 . . . . . . . . 5952 1 453 . 1 1 36 36 HIS CB C 13 29.920 . . 1 . . . . . . . . 5952 1 454 . 1 1 36 36 HIS HB3 H 1 3.126 . . 1 . . . . . . . . 5952 1 455 . 1 1 36 36 HIS HB2 H 1 3.126 . . 1 . . . . . . . . 5952 1 456 . 1 1 36 36 HIS CD2 C 13 121.015 . . 1 . . . . . . . . 5952 1 457 . 1 1 36 36 HIS HD2 H 1 6.842 . . 1 . . . . . . . . 5952 1 458 . 1 1 36 36 HIS CE1 C 13 135.630 . . 1 . . . . . . . . 5952 1 459 . 1 1 36 36 HIS HE1 H 1 7.980 . . 1 . . . . . . . . 5952 1 460 . 1 1 36 36 HIS C C 13 172.002 . . 1 . . . . . . . . 5952 1 461 . 1 1 37 37 TRP N N 15 119.580 . . 1 . . . . . . . . 5952 1 462 . 1 1 37 37 TRP H H 1 8.822 . . 1 . . . . . . . . 5952 1 463 . 1 1 37 37 TRP CA C 13 54.127 . . 1 . . . . . . . . 5952 1 464 . 1 1 37 37 TRP HA H 1 5.280 . . 1 . . . . . . . . 5952 1 465 . 1 1 37 37 TRP CB C 13 29.130 . . 1 . . . . . . . . 5952 1 466 . 1 1 37 37 TRP HB3 H 1 3.058 . . 2 . . . . . . . . 5952 1 467 . 1 1 37 37 TRP HB2 H 1 3.329 . . 2 . . . . . . . . 5952 1 468 . 1 1 37 37 TRP CD1 C 13 125.990 . . 1 . . . . . . . . 5952 1 469 . 1 1 37 37 TRP HD1 H 1 7.110 . . 1 . . . . . . . . 5952 1 470 . 1 1 37 37 TRP NE1 N 15 128.490 . . 1 . . . . . . . . 5952 1 471 . 1 1 37 37 TRP HE1 H 1 10.110 . . 1 . . . . . . . . 5952 1 472 . 1 1 37 37 TRP CZ2 C 13 112.230 . . 1 . . . . . . . . 5952 1 473 . 1 1 37 37 TRP HZ2 H 1 7.420 . . 1 . . . . . . . . 5952 1 474 . 1 1 37 37 TRP CH2 C 13 122.310 . . 1 . . . . . . . . 5952 1 475 . 1 1 37 37 TRP HH2 H 1 6.865 . . 1 . . . . . . . . 5952 1 476 . 1 1 37 37 TRP CZ3 C 13 119.480 . . 1 . . . . . . . . 5952 1 477 . 1 1 37 37 TRP HZ3 H 1 6.971 . . 1 . . . . . . . . 5952 1 478 . 1 1 37 37 TRP CE3 C 13 118.510 . . 1 . . . . . . . . 5952 1 479 . 1 1 37 37 TRP HE3 H 1 7.343 . . 1 . . . . . . . . 5952 1 480 . 1 1 37 37 TRP C C 13 174.956 . . 1 . . . . . . . . 5952 1 481 . 1 1 38 38 THR N N 15 114.860 . . 1 . . . . . . . . 5952 1 482 . 1 1 38 38 THR H H 1 8.868 . . 1 . . . . . . . . 5952 1 483 . 1 1 38 38 THR CA C 13 58.500 . . 1 . . . . . . . . 5952 1 484 . 1 1 38 38 THR HA H 1 4.904 . . 1 . . . . . . . . 5952 1 485 . 1 1 38 38 THR CB C 13 69.062 . . 1 . . . . . . . . 5952 1 486 . 1 1 38 38 THR HB H 1 4.414 . . 1 . . . . . . . . 5952 1 487 . 1 1 38 38 THR CG2 C 13 19.340 . . 1 . . . . . . . . 5952 1 488 . 1 1 38 38 THR HG21 H 1 1.317 . . 1 . . . . . . . . 5952 1 489 . 1 1 38 38 THR HG22 H 1 1.317 . . 1 . . . . . . . . 5952 1 490 . 1 1 38 38 THR HG23 H 1 1.317 . . 1 . . . . . . . . 5952 1 491 . 1 1 38 38 THR C C 13 172.150 . . 1 . . . . . . . . 5952 1 492 . 1 1 39 39 GLY CA C 13 42.697 . . 1 . . . . . . . . 5952 1 493 . 1 1 39 39 GLY HA3 H 1 4.553 . . 2 . . . . . . . . 5952 1 494 . 1 1 39 39 GLY HA2 H 1 4.144 . . 2 . . . . . . . . 5952 1 495 . 1 1 40 40 HIS N N 15 119.890 . . 1 . . . . . . . . 5952 1 496 . 1 1 40 40 HIS H H 1 8.243 . . 1 . . . . . . . . 5952 1 497 . 1 1 40 40 HIS CA C 13 53.500 . . 1 . . . . . . . . 5952 1 498 . 1 1 40 40 HIS HA H 1 4.752 . . 1 . . . . . . . . 5952 1 499 . 1 1 40 40 HIS CB C 13 28.730 . . 1 . . . . . . . . 5952 1 500 . 1 1 40 40 HIS HB3 H 1 3.140 . . 2 . . . . . . . . 5952 1 501 . 1 1 40 40 HIS HB2 H 1 3.220 . . 2 . . . . . . . . 5952 1 502 . 1 1 40 40 HIS CD2 C 13 117.330 . . 1 . . . . . . . . 5952 1 503 . 1 1 40 40 HIS HD2 H 1 6.968 . . 1 . . . . . . . . 5952 1 504 . 1 1 40 40 HIS CE1 C 13 136.310 . . 1 . . . . . . . . 5952 1 505 . 1 1 40 40 HIS HE1 H 1 7.762 . . 1 . . . . . . . . 5952 1 506 . 1 1 40 40 HIS C C 13 173.220 . . 1 . . . . . . . . 5952 1 507 . 1 1 41 41 ASN CA C 13 50.860 . . 1 . . . . . . . . 5952 1 508 . 1 1 41 41 ASN HA H 1 4.735 . . 1 . . . . . . . . 5952 1 509 . 1 1 41 41 ASN CB C 13 35.900 . . 1 . . . . . . . . 5952 1 510 . 1 1 41 41 ASN HB3 H 1 2.708 . . 2 . . . . . . . . 5952 1 511 . 1 1 41 41 ASN HB2 H 1 2.824 . . 2 . . . . . . . . 5952 1 512 . 1 1 41 41 ASN CG C 13 175.430 . . 1 . . . . . . . . 5952 1 513 . 1 1 41 41 ASN ND2 N 15 112.120 . . 1 . . . . . . . . 5952 1 514 . 1 1 41 41 ASN HD21 H 1 7.563 . . 2 . . . . . . . . 5952 1 515 . 1 1 41 41 ASN HD22 H 1 6.890 . . 2 . . . . . . . . 5952 1 516 . 1 1 41 41 ASN C C 13 172.855 . . 1 . . . . . . . . 5952 1 517 . 1 1 42 42 VAL N N 15 118.590 . . 1 . . . . . . . . 5952 1 518 . 1 1 42 42 VAL H H 1 7.690 . . 1 . . . . . . . . 5952 1 519 . 1 1 42 42 VAL CA C 13 60.106 . . 1 . . . . . . . . 5952 1 520 . 1 1 42 42 VAL HA H 1 4.093 . . 1 . . . . . . . . 5952 1 521 . 1 1 42 42 VAL CB C 13 30.480 . . 1 . . . . . . . . 5952 1 522 . 1 1 42 42 VAL HB H 1 2.124 . . 1 . . . . . . . . 5952 1 523 . 1 1 42 42 VAL CG2 C 13 19.250 . . 1 . . . . . . . . 5952 1 524 . 1 1 42 42 VAL HG21 H 1 0.944 . . 2 . . . . . . . . 5952 1 525 . 1 1 42 42 VAL HG22 H 1 0.944 . . 2 . . . . . . . . 5952 1 526 . 1 1 42 42 VAL HG23 H 1 0.944 . . 2 . . . . . . . . 5952 1 527 . 1 1 42 42 VAL CG1 C 13 18.250 . . 1 . . . . . . . . 5952 1 528 . 1 1 42 42 VAL HG11 H 1 0.896 . . 2 . . . . . . . . 5952 1 529 . 1 1 42 42 VAL HG12 H 1 0.896 . . 2 . . . . . . . . 5952 1 530 . 1 1 42 42 VAL HG13 H 1 0.896 . . 2 . . . . . . . . 5952 1 531 . 1 1 42 42 VAL C C 13 174.160 . . 1 . . . . . . . . 5952 1 532 . 1 1 43 43 LYS CA C 13 54.680 . . 1 . . . . . . . . 5952 1 533 . 1 1 43 43 LYS HA H 1 4.281 . . 1 . . . . . . . . 5952 1 534 . 1 1 43 43 LYS CB C 13 30.470 . . 1 . . . . . . . . 5952 1 535 . 1 1 43 43 LYS HB3 H 1 1.741 . . 2 . . . . . . . . 5952 1 536 . 1 1 43 43 LYS HB2 H 1 1.708 . . 2 . . . . . . . . 5952 1 537 . 1 1 43 43 LYS CG C 13 22.490 . . 1 . . . . . . . . 5952 1 538 . 1 1 43 43 LYS HG3 H 1 1.330 . . 1 . . . . . . . . 5952 1 539 . 1 1 43 43 LYS HG2 H 1 1.330 . . 1 . . . . . . . . 5952 1 540 . 1 1 43 43 LYS CD C 13 26.602 . . 1 . . . . . . . . 5952 1 541 . 1 1 43 43 LYS HD3 H 1 1.831 . . 1 . . . . . . . . 5952 1 542 . 1 1 43 43 LYS HD2 H 1 1.831 . . 1 . . . . . . . . 5952 1 543 . 1 1 43 43 LYS CE C 13 39.700 . . 1 . . . . . . . . 5952 1 544 . 1 1 44 44 HIS CA C 13 55.000 . . 1 . . . . . . . . 5952 1 545 . 1 1 44 44 HIS HA H 1 4.687 . . 1 . . . . . . . . 5952 1 546 . 1 1 44 44 HIS CB C 13 28.670 . . 1 . . . . . . . . 5952 1 547 . 1 1 44 44 HIS HB3 H 1 3.210 . . 1 . . . . . . . . 5952 1 548 . 1 1 44 44 HIS HB2 H 1 3.210 . . 1 . . . . . . . . 5952 1 549 . 1 1 44 44 HIS CD2 C 13 117.250 . . 1 . . . . . . . . 5952 1 550 . 1 1 44 44 HIS HD2 H 1 7.071 . . 1 . . . . . . . . 5952 1 551 . 1 1 44 44 HIS CE1 C 13 136.490 . . 1 . . . . . . . . 5952 1 552 . 1 1 44 44 HIS HE1 H 1 7.799 . . 1 . . . . . . . . 5952 1 553 . 1 1 44 44 HIS C C 13 173.880 . . 1 . . . . . . . . 5952 1 554 . 1 1 45 45 LYS CA C 13 54.120 . . 1 . . . . . . . . 5952 1 555 . 1 1 45 45 LYS HA H 1 4.437 . . 1 . . . . . . . . 5952 1 556 . 1 1 45 45 LYS CB C 13 30.480 . . 1 . . . . . . . . 5952 1 557 . 1 1 45 45 LYS HB3 H 1 1.944 . . 2 . . . . . . . . 5952 1 558 . 1 1 45 45 LYS HB2 H 1 1.785 . . 2 . . . . . . . . 5952 1 559 . 1 1 45 45 LYS CG C 13 22.370 . . 1 . . . . . . . . 5952 1 560 . 1 1 45 45 LYS HG3 H 1 1.484 . . 1 . . . . . . . . 5952 1 561 . 1 1 45 45 LYS HG2 H 1 1.484 . . 1 . . . . . . . . 5952 1 562 . 1 1 45 45 LYS CD C 13 26.800 . . 1 . . . . . . . . 5952 1 563 . 1 1 45 45 LYS HD3 H 1 1.704 . . 1 . . . . . . . . 5952 1 564 . 1 1 45 45 LYS HD2 H 1 1.704 . . 1 . . . . . . . . 5952 1 565 . 1 1 45 45 LYS CE C 13 39.790 . . 1 . . . . . . . . 5952 1 566 . 1 1 45 45 LYS C C 13 174.390 . . 1 . . . . . . . . 5952 1 567 . 1 1 46 46 SER N N 15 116.199 . . 1 . . . . . . . . 5952 1 568 . 1 1 46 46 SER H H 1 8.044 . . 1 . . . . . . . . 5952 1 569 . 1 1 46 46 SER CA C 13 56.018 . . 1 . . . . . . . . 5952 1 570 . 1 1 46 46 SER HA H 1 4.509 . . 1 . . . . . . . . 5952 1 571 . 1 1 46 46 SER CB C 13 62.001 . . 1 . . . . . . . . 5952 1 572 . 1 1 46 46 SER HB3 H 1 3.789 . . 2 . . . . . . . . 5952 1 573 . 1 1 46 46 SER HB2 H 1 3.861 . . 2 . . . . . . . . 5952 1 574 . 1 1 46 46 SER C C 13 170.563 . . 1 . . . . . . . . 5952 1 575 . 1 1 47 47 ALA N N 15 125.601 . . 1 . . . . . . . . 5952 1 576 . 1 1 47 47 ALA H H 1 8.255 . . 1 . . . . . . . . 5952 1 577 . 1 1 47 47 ALA CA C 13 48.970 . . 1 . . . . . . . . 5952 1 578 . 1 1 47 47 ALA HA H 1 4.526 . . 1 . . . . . . . . 5952 1 579 . 1 1 47 47 ALA CB C 13 18.231 . . 1 . . . . . . . . 5952 1 580 . 1 1 47 47 ALA HB1 H 1 1.324 . . 1 . . . . . . . . 5952 1 581 . 1 1 47 47 ALA HB2 H 1 1.324 . . 1 . . . . . . . . 5952 1 582 . 1 1 47 47 ALA HB3 H 1 1.324 . . 1 . . . . . . . . 5952 1 583 . 1 1 47 47 ALA C C 13 173.383 . . 1 . . . . . . . . 5952 1 584 . 1 1 48 48 ILE N N 15 119.093 . . 1 . . . . . . . . 5952 1 585 . 1 1 48 48 ILE H H 1 8.495 . . 1 . . . . . . . . 5952 1 586 . 1 1 48 48 ILE CA C 13 58.162 . . 1 . . . . . . . . 5952 1 587 . 1 1 48 48 ILE HA H 1 4.828 . . 1 . . . . . . . . 5952 1 588 . 1 1 48 48 ILE CB C 13 38.430 . . 1 . . . . . . . . 5952 1 589 . 1 1 48 48 ILE HB H 1 -1.040 . . 1 . . . . . . . . 5952 1 590 . 1 1 48 48 ILE CG1 C 13 24.630 . . 2 . . . . . . . . 5952 1 591 . 1 1 48 48 ILE HG13 H 1 0.061 . . 1 . . . . . . . . 5952 1 592 . 1 1 48 48 ILE HG12 H 1 0.809 . . 1 . . . . . . . . 5952 1 593 . 1 1 48 48 ILE CD1 C 13 10.900 . . 1 . . . . . . . . 5952 1 594 . 1 1 48 48 ILE HD11 H 1 -0.489 . . 1 . . . . . . . . 5952 1 595 . 1 1 48 48 ILE HD12 H 1 -0.489 . . 1 . . . . . . . . 5952 1 596 . 1 1 48 48 ILE HD13 H 1 -0.489 . . 1 . . . . . . . . 5952 1 597 . 1 1 48 48 ILE CG2 C 13 15.820 . . 1 . . . . . . . . 5952 1 598 . 1 1 48 48 ILE HG21 H 1 0.050 . . 1 . . . . . . . . 5952 1 599 . 1 1 48 48 ILE HG22 H 1 0.050 . . 1 . . . . . . . . 5952 1 600 . 1 1 48 48 ILE HG23 H 1 0.050 . . 1 . . . . . . . . 5952 1 601 . 1 1 48 48 ILE C C 13 172.775 . . 1 . . . . . . . . 5952 1 602 . 1 1 49 49 VAL N N 15 121.500 . . 1 . . . . . . . . 5952 1 603 . 1 1 49 49 VAL H H 1 8.458 . . 1 . . . . . . . . 5952 1 604 . 1 1 49 49 VAL CA C 13 59.780 . . 1 . . . . . . . . 5952 1 605 . 1 1 49 49 VAL HA H 1 4.011 . . 1 . . . . . . . . 5952 1 606 . 1 1 49 49 VAL CB C 13 34.230 . . 1 . . . . . . . . 5952 1 607 . 1 1 49 49 VAL HB H 1 1.805 . . 1 . . . . . . . . 5952 1 608 . 1 1 49 49 VAL CG2 C 13 20.162 . . 1 . . . . . . . . 5952 1 609 . 1 1 49 49 VAL HG21 H 1 1.021 . . 2 . . . . . . . . 5952 1 610 . 1 1 49 49 VAL HG22 H 1 1.021 . . 2 . . . . . . . . 5952 1 611 . 1 1 49 49 VAL HG23 H 1 1.021 . . 2 . . . . . . . . 5952 1 612 . 1 1 49 49 VAL CG1 C 13 23.210 . . 1 . . . . . . . . 5952 1 613 . 1 1 49 49 VAL HG11 H 1 0.947 . . 2 . . . . . . . . 5952 1 614 . 1 1 49 49 VAL HG12 H 1 0.947 . . 2 . . . . . . . . 5952 1 615 . 1 1 49 49 VAL HG13 H 1 0.947 . . 2 . . . . . . . . 5952 1 616 . 1 1 49 49 VAL C C 13 171.976 . . 1 . . . . . . . . 5952 1 617 . 1 1 50 50 THR N N 15 124.496 . . 1 . . . . . . . . 5952 1 618 . 1 1 50 50 THR H H 1 9.246 . . 1 . . . . . . . . 5952 1 619 . 1 1 50 50 THR CA C 13 59.059 . . 1 . . . . . . . . 5952 1 620 . 1 1 50 50 THR HA H 1 5.618 . . 1 . . . . . . . . 5952 1 621 . 1 1 50 50 THR CB C 13 68.512 . . 1 . . . . . . . . 5952 1 622 . 1 1 50 50 THR HB H 1 3.670 . . 1 . . . . . . . . 5952 1 623 . 1 1 50 50 THR CG2 C 13 20.710 . . 1 . . . . . . . . 5952 1 624 . 1 1 50 50 THR HG21 H 1 1.437 . . 1 . . . . . . . . 5952 1 625 . 1 1 50 50 THR HG22 H 1 1.437 . . 1 . . . . . . . . 5952 1 626 . 1 1 50 50 THR HG23 H 1 1.437 . . 1 . . . . . . . . 5952 1 627 . 1 1 50 50 THR C C 13 171.844 . . 1 . . . . . . . . 5952 1 628 . 1 1 51 51 LEU N N 15 126.155 . . 1 . . . . . . . . 5952 1 629 . 1 1 51 51 LEU H H 1 9.288 . . 1 . . . . . . . . 5952 1 630 . 1 1 51 51 LEU CA C 13 53.308 . . 1 . . . . . . . . 5952 1 631 . 1 1 51 51 LEU HA H 1 5.507 . . 1 . . . . . . . . 5952 1 632 . 1 1 51 51 LEU CB C 13 42.891 . . 1 . . . . . . . . 5952 1 633 . 1 1 51 51 LEU HB3 H 1 1.043 . . 2 . . . . . . . . 5952 1 634 . 1 1 51 51 LEU HB2 H 1 1.432 . . 2 . . . . . . . . 5952 1 635 . 1 1 51 51 LEU CG C 13 27.170 . . 1 . . . . . . . . 5952 1 636 . 1 1 51 51 LEU HG H 1 1.468 . . 1 . . . . . . . . 5952 1 637 . 1 1 51 51 LEU CD1 C 13 23.960 . . 1 . . . . . . . . 5952 1 638 . 1 1 51 51 LEU HD11 H 1 0.662 . . 2 . . . . . . . . 5952 1 639 . 1 1 51 51 LEU HD12 H 1 0.662 . . 2 . . . . . . . . 5952 1 640 . 1 1 51 51 LEU HD13 H 1 0.662 . . 2 . . . . . . . . 5952 1 641 . 1 1 51 51 LEU CD2 C 13 24.780 . . 1 . . . . . . . . 5952 1 642 . 1 1 51 51 LEU HD21 H 1 -0.121 . . 2 . . . . . . . . 5952 1 643 . 1 1 51 51 LEU HD22 H 1 -0.121 . . 2 . . . . . . . . 5952 1 644 . 1 1 51 51 LEU HD23 H 1 -0.121 . . 2 . . . . . . . . 5952 1 645 . 1 1 51 51 LEU C C 13 173.712 . . 1 . . . . . . . . 5952 1 646 . 1 1 52 52 THR N N 15 107.446 . . 1 . . . . . . . . 5952 1 647 . 1 1 52 52 THR H H 1 8.157 . . 1 . . . . . . . . 5952 1 648 . 1 1 52 52 THR CA C 13 56.604 . . 1 . . . . . . . . 5952 1 649 . 1 1 52 52 THR HA H 1 5.026 . . 1 . . . . . . . . 5952 1 650 . 1 1 52 52 THR CB C 13 68.796 . . 1 . . . . . . . . 5952 1 651 . 1 1 52 52 THR HB H 1 4.007 . . 1 . . . . . . . . 5952 1 652 . 1 1 52 52 THR CG2 C 13 20.410 . . 1 . . . . . . . . 5952 1 653 . 1 1 52 52 THR HG21 H 1 0.899 . . 1 . . . . . . . . 5952 1 654 . 1 1 52 52 THR HG22 H 1 0.899 . . 1 . . . . . . . . 5952 1 655 . 1 1 52 52 THR HG23 H 1 0.899 . . 1 . . . . . . . . 5952 1 656 . 1 1 52 52 THR C C 13 171.059 . . 1 . . . . . . . . 5952 1 657 . 1 1 53 53 TYR N N 15 115.093 . . 1 . . . . . . . . 5952 1 658 . 1 1 53 53 TYR H H 1 7.330 . . 1 . . . . . . . . 5952 1 659 . 1 1 53 53 TYR CA C 13 54.936 . . 1 . . . . . . . . 5952 1 660 . 1 1 53 53 TYR HA H 1 4.925 . . 1 . . . . . . . . 5952 1 661 . 1 1 53 53 TYR CB C 13 40.883 . . 1 . . . . . . . . 5952 1 662 . 1 1 53 53 TYR HB3 H 1 2.357 . . 2 . . . . . . . . 5952 1 663 . 1 1 53 53 TYR HB2 H 1 3.661 . . 2 . . . . . . . . 5952 1 664 . 1 1 53 53 TYR CD1 C 13 130.850 . . 1 . . . . . . . . 5952 1 665 . 1 1 53 53 TYR HD1 H 1 6.780 . . 1 . . . . . . . . 5952 1 666 . 1 1 53 53 TYR CE1 C 13 115.260 . . 1 . . . . . . . . 5952 1 667 . 1 1 53 53 TYR HE1 H 1 6.390 . . 1 . . . . . . . . 5952 1 668 . 1 1 53 53 TYR CE2 C 13 115.260 . . 1 . . . . . . . . 5952 1 669 . 1 1 53 53 TYR HE2 H 1 6.390 . . 1 . . . . . . . . 5952 1 670 . 1 1 53 53 TYR CD2 C 13 130.850 . . 1 . . . . . . . . 5952 1 671 . 1 1 53 53 TYR HD2 H 1 6.780 . . 1 . . . . . . . . 5952 1 672 . 1 1 53 53 TYR C C 13 173.730 . . 1 . . . . . . . . 5952 1 673 . 1 1 54 54 ASP N N 15 119.419 . . 1 . . . . . . . . 5952 1 674 . 1 1 54 54 ASP H H 1 9.479 . . 1 . . . . . . . . 5952 1 675 . 1 1 54 54 ASP CA C 13 53.037 . . 1 . . . . . . . . 5952 1 676 . 1 1 54 54 ASP HA H 1 4.663 . . 1 . . . . . . . . 5952 1 677 . 1 1 54 54 ASP CB C 13 39.947 . . 1 . . . . . . . . 5952 1 678 . 1 1 54 54 ASP HB3 H 1 2.645 . . 2 . . . . . . . . 5952 1 679 . 1 1 54 54 ASP HB2 H 1 2.730 . . 2 . . . . . . . . 5952 1 680 . 1 1 54 54 ASP C C 13 174.459 . . 1 . . . . . . . . 5952 1 681 . 1 1 55 55 SER N N 15 105.881 . . 1 . . . . . . . . 5952 1 682 . 1 1 55 55 SER H H 1 7.539 . . 1 . . . . . . . . 5952 1 683 . 1 1 55 55 SER CA C 13 54.675 . . 1 . . . . . . . . 5952 1 684 . 1 1 55 55 SER HA H 1 4.856 . . 1 . . . . . . . . 5952 1 685 . 1 1 55 55 SER CB C 13 63.370 . . 1 . . . . . . . . 5952 1 686 . 1 1 55 55 SER HB3 H 1 4.340 . . 1 . . . . . . . . 5952 1 687 . 1 1 55 55 SER HB2 H 1 4.340 . . 1 . . . . . . . . 5952 1 688 . 1 1 55 55 SER C C 13 172.539 . . 1 . . . . . . . . 5952 1 689 . 1 1 56 56 GLU N N 15 121.727 . . 1 . . . . . . . . 5952 1 690 . 1 1 56 56 GLU H H 1 9.594 . . 1 . . . . . . . . 5952 1 691 . 1 1 56 56 GLU CA C 13 58.471 . . 1 . . . . . . . . 5952 1 692 . 1 1 56 56 GLU HA H 1 3.802 . . 1 . . . . . . . . 5952 1 693 . 1 1 56 56 GLU CB C 13 27.212 . . 1 . . . . . . . . 5952 1 694 . 1 1 56 56 GLU HB3 H 1 2.176 . . 2 . . . . . . . . 5952 1 695 . 1 1 56 56 GLU HB2 H 1 2.360 . . 2 . . . . . . . . 5952 1 696 . 1 1 56 56 GLU CG C 13 36.200 . . 1 . . . . . . . . 5952 1 697 . 1 1 56 56 GLU HG3 H 1 2.324 . . 2 . . . . . . . . 5952 1 698 . 1 1 56 56 GLU HG2 H 1 2.545 . . 2 . . . . . . . . 5952 1 699 . 1 1 56 56 GLU CD C 13 181.080 . . 1 . . . . . . . . 5952 1 700 . 1 1 56 56 GLU C C 13 175.943 . . 1 . . . . . . . . 5952 1 701 . 1 1 57 57 TRP N N 15 119.871 . . 1 . . . . . . . . 5952 1 702 . 1 1 57 57 TRP H H 1 8.436 . . 1 . . . . . . . . 5952 1 703 . 1 1 57 57 TRP CA C 13 58.911 . . 1 . . . . . . . . 5952 1 704 . 1 1 57 57 TRP HA H 1 4.448 . . 1 . . . . . . . . 5952 1 705 . 1 1 57 57 TRP CB C 13 26.341 . . 1 . . . . . . . . 5952 1 706 . 1 1 57 57 TRP HB3 H 1 3.354 . . 2 . . . . . . . . 5952 1 707 . 1 1 57 57 TRP HB2 H 1 3.513 . . 2 . . . . . . . . 5952 1 708 . 1 1 57 57 TRP CD1 C 13 125.350 . . 1 . . . . . . . . 5952 1 709 . 1 1 57 57 TRP HD1 H 1 7.378 . . 1 . . . . . . . . 5952 1 710 . 1 1 57 57 TRP NE1 N 15 129.520 . . 1 . . . . . . . . 5952 1 711 . 1 1 57 57 TRP HE1 H 1 10.200 . . 1 . . . . . . . . 5952 1 712 . 1 1 57 57 TRP CZ2 C 13 112.560 . . 1 . . . . . . . . 5952 1 713 . 1 1 57 57 TRP HZ2 H 1 7.468 . . 1 . . . . . . . . 5952 1 714 . 1 1 57 57 TRP CH2 C 13 122.430 . . 1 . . . . . . . . 5952 1 715 . 1 1 57 57 TRP HH2 H 1 7.245 . . 1 . . . . . . . . 5952 1 716 . 1 1 57 57 TRP CZ3 C 13 119.650 . . 1 . . . . . . . . 5952 1 717 . 1 1 57 57 TRP HZ3 H 1 7.197 . . 1 . . . . . . . . 5952 1 718 . 1 1 57 57 TRP CE3 C 13 118.430 . . 1 . . . . . . . . 5952 1 719 . 1 1 57 57 TRP HE3 H 1 7.528 . . 1 . . . . . . . . 5952 1 720 . 1 1 57 57 TRP C C 13 175.976 . . 1 . . . . . . . . 5952 1 721 . 1 1 58 58 GLN N N 15 120.896 . . 1 . . . . . . . . 5952 1 722 . 1 1 58 58 GLN H H 1 8.345 . . 1 . . . . . . . . 5952 1 723 . 1 1 58 58 GLN CA C 13 57.148 . . 1 . . . . . . . . 5952 1 724 . 1 1 58 58 GLN HA H 1 3.613 . . 1 . . . . . . . . 5952 1 725 . 1 1 58 58 GLN CB C 13 27.668 . . 1 . . . . . . . . 5952 1 726 . 1 1 58 58 GLN HB3 H 1 2.302 . . 2 . . . . . . . . 5952 1 727 . 1 1 58 58 GLN HB2 H 1 2.601 . . 2 . . . . . . . . 5952 1 728 . 1 1 58 58 GLN CG C 13 31.860 . . 1 . . . . . . . . 5952 1 729 . 1 1 58 58 GLN HG3 H 1 2.551 . . 2 . . . . . . . . 5952 1 730 . 1 1 58 58 GLN HG2 H 1 2.837 . . 2 . . . . . . . . 5952 1 731 . 1 1 58 58 GLN CD C 13 176.330 . . 1 . . . . . . . . 5952 1 732 . 1 1 58 58 GLN NE2 N 15 110.890 . . 1 . . . . . . . . 5952 1 733 . 1 1 58 58 GLN HE21 H 1 7.096 . . 2 . . . . . . . . 5952 1 734 . 1 1 58 58 GLN HE22 H 1 6.371 . . 2 . . . . . . . . 5952 1 735 . 1 1 58 58 GLN C C 13 175.230 . . 1 . . . . . . . . 5952 1 736 . 1 1 59 59 ARG N N 15 117.975 . . 1 . . . . . . . . 5952 1 737 . 1 1 59 59 ARG H H 1 7.353 . . 1 . . . . . . . . 5952 1 738 . 1 1 59 59 ARG CA C 13 57.130 . . 1 . . . . . . . . 5952 1 739 . 1 1 59 59 ARG HA H 1 2.989 . . 1 . . . . . . . . 5952 1 740 . 1 1 59 59 ARG CB C 13 27.640 . . 1 . . . . . . . . 5952 1 741 . 1 1 59 59 ARG HB3 H 1 2.027 . . 1 . . . . . . . . 5952 1 742 . 1 1 59 59 ARG HB2 H 1 2.027 . . 1 . . . . . . . . 5952 1 743 . 1 1 59 59 ARG CG C 13 22.360 . . 1 . . . . . . . . 5952 1 744 . 1 1 59 59 ARG HG3 H 1 0.624 . . 2 . . . . . . . . 5952 1 745 . 1 1 59 59 ARG HG2 H 1 0.662 . . 2 . . . . . . . . 5952 1 746 . 1 1 59 59 ARG CD C 13 41.930 . . 1 . . . . . . . . 5952 1 747 . 1 1 59 59 ARG HD3 H 1 2.380 . . 2 . . . . . . . . 5952 1 748 . 1 1 59 59 ARG HD2 H 1 2.946 . . 2 . . . . . . . . 5952 1 749 . 1 1 59 59 ARG C C 13 175.073 . . 1 . . . . . . . . 5952 1 750 . 1 1 60 60 ASP N N 15 118.588 . . 1 . . . . . . . . 5952 1 751 . 1 1 60 60 ASP H H 1 8.114 . . 1 . . . . . . . . 5952 1 752 . 1 1 60 60 ASP CA C 13 55.035 . . 1 . . . . . . . . 5952 1 753 . 1 1 60 60 ASP HA H 1 4.356 . . 1 . . . . . . . . 5952 1 754 . 1 1 60 60 ASP CB C 13 37.562 . . 1 . . . . . . . . 5952 1 755 . 1 1 60 60 ASP HB3 H 1 2.593 . . 2 . . . . . . . . 5952 1 756 . 1 1 60 60 ASP HB2 H 1 2.819 . . 2 . . . . . . . . 5952 1 757 . 1 1 60 60 ASP C C 13 177.854 . . 1 . . . . . . . . 5952 1 758 . 1 1 61 61 GLN N N 15 120.326 . . 1 . . . . . . . . 5952 1 759 . 1 1 61 61 GLN H H 1 8.031 . . 1 . . . . . . . . 5952 1 760 . 1 1 61 61 GLN CA C 13 56.206 . . 1 . . . . . . . . 5952 1 761 . 1 1 61 61 GLN HA H 1 3.844 . . 1 . . . . . . . . 5952 1 762 . 1 1 61 61 GLN CB C 13 26.140 . . 1 . . . . . . . . 5952 1 763 . 1 1 61 61 GLN HB3 H 1 1.890 . . 2 . . . . . . . . 5952 1 764 . 1 1 61 61 GLN HB2 H 1 2.019 . . 2 . . . . . . . . 5952 1 765 . 1 1 61 61 GLN CG C 13 30.485 . . 1 . . . . . . . . 5952 1 766 . 1 1 61 61 GLN HG3 H 1 1.347 . . 2 . . . . . . . . 5952 1 767 . 1 1 61 61 GLN HG2 H 1 1.578 . . 2 . . . . . . . . 5952 1 768 . 1 1 61 61 GLN CD C 13 177.800 . . 1 . . . . . . . . 5952 1 769 . 1 1 61 61 GLN NE2 N 15 112.470 . . 1 . . . . . . . . 5952 1 770 . 1 1 61 61 GLN HE21 H 1 6.671 . . 2 . . . . . . . . 5952 1 771 . 1 1 61 61 GLN HE22 H 1 6.644 . . 2 . . . . . . . . 5952 1 772 . 1 1 61 61 GLN C C 13 176.297 . . 1 . . . . . . . . 5952 1 773 . 1 1 62 62 PHE N N 15 120.683 . . 1 . . . . . . . . 5952 1 774 . 1 1 62 62 PHE H H 1 8.694 . . 1 . . . . . . . . 5952 1 775 . 1 1 62 62 PHE CA C 13 60.114 . . 1 . . . . . . . . 5952 1 776 . 1 1 62 62 PHE HA H 1 3.958 . . 1 . . . . . . . . 5952 1 777 . 1 1 62 62 PHE CB C 13 36.010 . . 1 . . . . . . . . 5952 1 778 . 1 1 62 62 PHE HB3 H 1 3.549 . . 2 . . . . . . . . 5952 1 779 . 1 1 62 62 PHE HB2 H 1 4.066 . . 2 . . . . . . . . 5952 1 780 . 1 1 62 62 PHE CD1 C 13 130.095 . . 1 . . . . . . . . 5952 1 781 . 1 1 62 62 PHE HD1 H 1 7.240 . . 1 . . . . . . . . 5952 1 782 . 1 1 62 62 PHE CE1 C 13 130.850 . . 1 . . . . . . . . 5952 1 783 . 1 1 62 62 PHE HE1 H 1 6.700 . . 1 . . . . . . . . 5952 1 784 . 1 1 62 62 PHE CZ C 13 128.300 . . 1 . . . . . . . . 5952 1 785 . 1 1 62 62 PHE HZ H 1 7.051 . . 1 . . . . . . . . 5952 1 786 . 1 1 62 62 PHE CE2 C 13 130.850 . . 1 . . . . . . . . 5952 1 787 . 1 1 62 62 PHE HE2 H 1 6.700 . . 1 . . . . . . . . 5952 1 788 . 1 1 62 62 PHE CD2 C 13 130.095 . . 1 . . . . . . . . 5952 1 789 . 1 1 62 62 PHE HD2 H 1 7.240 . . 1 . . . . . . . . 5952 1 790 . 1 1 62 62 PHE C C 13 174.655 . . 1 . . . . . . . . 5952 1 791 . 1 1 63 63 LEU N N 15 115.770 . . 1 . . . . . . . . 5952 1 792 . 1 1 63 63 LEU H H 1 8.432 . . 1 . . . . . . . . 5952 1 793 . 1 1 63 63 LEU CA C 13 54.467 . . 1 . . . . . . . . 5952 1 794 . 1 1 63 63 LEU HA H 1 4.112 . . 1 . . . . . . . . 5952 1 795 . 1 1 63 63 LEU CB C 13 38.970 . . 1 . . . . . . . . 5952 1 796 . 1 1 63 63 LEU HB3 H 1 1.545 . . 2 . . . . . . . . 5952 1 797 . 1 1 63 63 LEU HB2 H 1 1.923 . . 2 . . . . . . . . 5952 1 798 . 1 1 63 63 LEU CG C 13 25.030 . . 1 . . . . . . . . 5952 1 799 . 1 1 63 63 LEU HG H 1 1.980 . . 1 . . . . . . . . 5952 1 800 . 1 1 63 63 LEU CD1 C 13 20.190 . . 1 . . . . . . . . 5952 1 801 . 1 1 63 63 LEU HD11 H 1 1.031 . . 2 . . . . . . . . 5952 1 802 . 1 1 63 63 LEU HD12 H 1 1.031 . . 2 . . . . . . . . 5952 1 803 . 1 1 63 63 LEU HD13 H 1 1.031 . . 2 . . . . . . . . 5952 1 804 . 1 1 63 63 LEU CD2 C 13 23.410 . . 1 . . . . . . . . 5952 1 805 . 1 1 63 63 LEU HD21 H 1 0.889 . . 2 . . . . . . . . 5952 1 806 . 1 1 63 63 LEU HD22 H 1 0.889 . . 2 . . . . . . . . 5952 1 807 . 1 1 63 63 LEU HD23 H 1 0.889 . . 2 . . . . . . . . 5952 1 808 . 1 1 63 63 LEU C C 13 176.866 . . 1 . . . . . . . . 5952 1 809 . 1 1 64 64 SER N N 15 111.919 . . 1 . . . . . . . . 5952 1 810 . 1 1 64 64 SER H H 1 7.798 . . 1 . . . . . . . . 5952 1 811 . 1 1 64 64 SER CA C 13 57.650 . . 1 . . . . . . . . 5952 1 812 . 1 1 64 64 SER HA H 1 4.418 . . 1 . . . . . . . . 5952 1 813 . 1 1 64 64 SER CB C 13 61.460 . . 1 . . . . . . . . 5952 1 814 . 1 1 64 64 SER HB3 H 1 3.948 . . 2 . . . . . . . . 5952 1 815 . 1 1 64 64 SER HB2 H 1 4.012 . . 2 . . . . . . . . 5952 1 816 . 1 1 64 64 SER C C 13 173.555 . . 1 . . . . . . . . 5952 1 817 . 1 1 65 65 GLN N N 15 117.729 . . 1 . . . . . . . . 5952 1 818 . 1 1 65 65 GLN H H 1 7.648 . . 1 . . . . . . . . 5952 1 819 . 1 1 65 65 GLN CA C 13 54.730 . . 1 . . . . . . . . 5952 1 820 . 1 1 65 65 GLN HA H 1 4.281 . . 1 . . . . . . . . 5952 1 821 . 1 1 65 65 GLN CB C 13 28.340 . . 1 . . . . . . . . 5952 1 822 . 1 1 65 65 GLN HB3 H 1 1.703 . . 2 . . . . . . . . 5952 1 823 . 1 1 65 65 GLN HB2 H 1 1.958 . . 2 . . . . . . . . 5952 1 824 . 1 1 65 65 GLN CG C 13 32.115 . . 1 . . . . . . . . 5952 1 825 . 1 1 65 65 GLN HG3 H 1 2.307 . . 2 . . . . . . . . 5952 1 826 . 1 1 65 65 GLN HG2 H 1 2.387 . . 2 . . . . . . . . 5952 1 827 . 1 1 65 65 GLN CD C 13 177.870 . . 1 . . . . . . . . 5952 1 828 . 1 1 65 65 GLN NE2 N 15 111.410 . . 1 . . . . . . . . 5952 1 829 . 1 1 65 65 GLN HE21 H 1 7.270 . . 2 . . . . . . . . 5952 1 830 . 1 1 65 65 GLN HE22 H 1 6.790 . . 2 . . . . . . . . 5952 1 831 . 1 1 65 65 GLN C C 13 174.107 . . 1 . . . . . . . . 5952 1 832 . 1 1 66 66 VAL N N 15 119.080 . . 1 . . . . . . . . 5952 1 833 . 1 1 66 66 VAL H H 1 7.738 . . 1 . . . . . . . . 5952 1 834 . 1 1 66 66 VAL CA C 13 59.820 . . 1 . . . . . . . . 5952 1 835 . 1 1 66 66 VAL HA H 1 3.643 . . 1 . . . . . . . . 5952 1 836 . 1 1 66 66 VAL CB C 13 29.090 . . 1 . . . . . . . . 5952 1 837 . 1 1 66 66 VAL HB H 1 1.256 . . 1 . . . . . . . . 5952 1 838 . 1 1 66 66 VAL CG2 C 13 17.707 . . 1 . . . . . . . . 5952 1 839 . 1 1 66 66 VAL HG21 H 1 0.005 . . 2 . . . . . . . . 5952 1 840 . 1 1 66 66 VAL HG22 H 1 0.005 . . 2 . . . . . . . . 5952 1 841 . 1 1 66 66 VAL HG23 H 1 0.005 . . 2 . . . . . . . . 5952 1 842 . 1 1 66 66 VAL CG1 C 13 18.520 . . 1 . . . . . . . . 5952 1 843 . 1 1 66 66 VAL HG11 H 1 0.441 . . 2 . . . . . . . . 5952 1 844 . 1 1 66 66 VAL HG12 H 1 0.441 . . 2 . . . . . . . . 5952 1 845 . 1 1 66 66 VAL HG13 H 1 0.441 . . 2 . . . . . . . . 5952 1 846 . 1 1 66 66 VAL C C 13 172.569 . . 1 . . . . . . . . 5952 1 847 . 1 1 67 67 LYS N N 15 124.890 . . 1 . . . . . . . . 5952 1 848 . 1 1 67 67 LYS H H 1 8.113 . . 1 . . . . . . . . 5952 1 849 . 1 1 67 67 LYS CA C 13 53.380 . . 1 . . . . . . . . 5952 1 850 . 1 1 67 67 LYS HA H 1 4.269 . . 1 . . . . . . . . 5952 1 851 . 1 1 67 67 LYS CB C 13 29.584 . . 1 . . . . . . . . 5952 1 852 . 1 1 67 67 LYS HB3 H 1 1.733 . . 2 . . . . . . . . 5952 1 853 . 1 1 67 67 LYS HB2 H 1 1.804 . . 2 . . . . . . . . 5952 1 854 . 1 1 67 67 LYS CG C 13 22.330 . . 1 . . . . . . . . 5952 1 855 . 1 1 67 67 LYS HG3 H 1 1.351 . . 1 . . . . . . . . 5952 1 856 . 1 1 67 67 LYS HG2 H 1 1.351 . . 1 . . . . . . . . 5952 1 857 . 1 1 67 67 LYS CD C 13 26.410 . . 1 . . . . . . . . 5952 1 858 . 1 1 67 67 LYS HD3 H 1 1.695 . . 1 . . . . . . . . 5952 1 859 . 1 1 67 67 LYS HD2 H 1 1.695 . . 1 . . . . . . . . 5952 1 860 . 1 1 67 67 LYS C C 13 173.698 . . 1 . . . . . . . . 5952 1 861 . 1 1 68 68 ILE N N 15 126.600 . . 1 . . . . . . . . 5952 1 862 . 1 1 68 68 ILE H H 1 8.534 . . 1 . . . . . . . . 5952 1 863 . 1 1 68 68 ILE CA C 13 54.750 . . 1 . . . . . . . . 5952 1 864 . 1 1 68 68 ILE HA H 1 4.579 . . 1 . . . . . . . . 5952 1 865 . 1 1 68 68 ILE CB C 13 36.990 . . 1 . . . . . . . . 5952 1 866 . 1 1 68 68 ILE HB H 1 1.921 . . 1 . . . . . . . . 5952 1 867 . 1 1 68 68 ILE CG1 C 13 25.060 . . 2 . . . . . . . . 5952 1 868 . 1 1 68 68 ILE HG13 H 1 1.322 . . 1 . . . . . . . . 5952 1 869 . 1 1 68 68 ILE HG12 H 1 1.605 . . 1 . . . . . . . . 5952 1 870 . 1 1 68 68 ILE CD1 C 13 9.650 . . 1 . . . . . . . . 5952 1 871 . 1 1 68 68 ILE HD11 H 1 0.917 . . 1 . . . . . . . . 5952 1 872 . 1 1 68 68 ILE HD12 H 1 0.917 . . 1 . . . . . . . . 5952 1 873 . 1 1 68 68 ILE HD13 H 1 0.917 . . 1 . . . . . . . . 5952 1 874 . 1 1 68 68 ILE CG2 C 13 14.610 . . 1 . . . . . . . . 5952 1 875 . 1 1 68 68 ILE HG21 H 1 1.031 . . 1 . . . . . . . . 5952 1 876 . 1 1 68 68 ILE HG22 H 1 1.031 . . 1 . . . . . . . . 5952 1 877 . 1 1 68 68 ILE HG23 H 1 1.031 . . 1 . . . . . . . . 5952 1 878 . 1 1 68 68 ILE C C 13 172.800 . . 1 . . . . . . . . 5952 1 879 . 1 1 69 69 PRO CA C 13 60.645 . . 1 . . . . . . . . 5952 1 880 . 1 1 69 69 PRO HA H 1 4.606 . . 1 . . . . . . . . 5952 1 881 . 1 1 69 69 PRO CB C 13 30.642 . . 1 . . . . . . . . 5952 1 882 . 1 1 69 69 PRO HB3 H 1 2.029 . . 2 . . . . . . . . 5952 1 883 . 1 1 69 69 PRO HB2 H 1 2.542 . . 2 . . . . . . . . 5952 1 884 . 1 1 69 69 PRO CG C 13 24.790 . . 1 . . . . . . . . 5952 1 885 . 1 1 69 69 PRO HG3 H 1 1.979 . . 2 . . . . . . . . 5952 1 886 . 1 1 69 69 PRO HG2 H 1 2.124 . . 2 . . . . . . . . 5952 1 887 . 1 1 69 69 PRO CD C 13 49.510 . . 1 . . . . . . . . 5952 1 888 . 1 1 69 69 PRO HD3 H 1 3.989 . . 2 . . . . . . . . 5952 1 889 . 1 1 69 69 PRO HD2 H 1 3.554 . . 2 . . . . . . . . 5952 1 890 . 1 1 69 69 PRO C C 13 175.419 . . 1 . . . . . . . . 5952 1 891 . 1 1 70 70 LYS N N 15 118.700 . . 1 . . . . . . . . 5952 1 892 . 1 1 70 70 LYS H H 1 8.727 . . 1 . . . . . . . . 5952 1 893 . 1 1 70 70 LYS CA C 13 55.759 . . 1 . . . . . . . . 5952 1 894 . 1 1 70 70 LYS HA H 1 4.372 . . 1 . . . . . . . . 5952 1 895 . 1 1 70 70 LYS CB C 13 29.680 . . 1 . . . . . . . . 5952 1 896 . 1 1 70 70 LYS HB3 H 1 1.998 . . 2 . . . . . . . . 5952 1 897 . 1 1 70 70 LYS HB2 H 1 2.052 . . 2 . . . . . . . . 5952 1 898 . 1 1 70 70 LYS CG C 13 22.830 . . 1 . . . . . . . . 5952 1 899 . 1 1 70 70 LYS HG3 H 1 1.663 . . 1 . . . . . . . . 5952 1 900 . 1 1 70 70 LYS HG2 H 1 1.663 . . 1 . . . . . . . . 5952 1 901 . 1 1 70 70 LYS HD3 H 1 3.020 . . 1 . . . . . . . . 5952 1 902 . 1 1 70 70 LYS HD2 H 1 3.020 . . 1 . . . . . . . . 5952 1 903 . 1 1 70 70 LYS C C 13 174.749 . . 1 . . . . . . . . 5952 1 904 . 1 1 71 71 THR N N 15 105.218 . . 1 . . . . . . . . 5952 1 905 . 1 1 71 71 THR H H 1 7.140 . . 1 . . . . . . . . 5952 1 906 . 1 1 71 71 THR CA C 13 59.560 . . 1 . . . . . . . . 5952 1 907 . 1 1 71 71 THR HA H 1 4.250 . . 1 . . . . . . . . 5952 1 908 . 1 1 71 71 THR CB C 13 66.130 . . 1 . . . . . . . . 5952 1 909 . 1 1 71 71 THR HB H 1 4.569 . . 1 . . . . . . . . 5952 1 910 . 1 1 71 71 THR CG2 C 13 20.420 . . 1 . . . . . . . . 5952 1 911 . 1 1 71 71 THR HG21 H 1 1.338 . . 1 . . . . . . . . 5952 1 912 . 1 1 71 71 THR HG22 H 1 1.338 . . 1 . . . . . . . . 5952 1 913 . 1 1 71 71 THR HG23 H 1 1.338 . . 1 . . . . . . . . 5952 1 914 . 1 1 71 71 THR C C 13 172.274 . . 1 . . . . . . . . 5952 1 915 . 1 1 72 72 ILE N N 15 124.884 . . 1 . . . . . . . . 5952 1 916 . 1 1 72 72 ILE H H 1 7.863 . . 1 . . . . . . . . 5952 1 917 . 1 1 72 72 ILE CA C 13 54.672 . . 1 . . . . . . . . 5952 1 918 . 1 1 72 72 ILE HA H 1 4.801 . . 1 . . . . . . . . 5952 1 919 . 1 1 72 72 ILE CB C 13 35.090 . . 1 . . . . . . . . 5952 1 920 . 1 1 72 72 ILE HB H 1 2.218 . . 1 . . . . . . . . 5952 1 921 . 1 1 72 72 ILE CG1 C 13 24.760 . . 2 . . . . . . . . 5952 1 922 . 1 1 72 72 ILE HG12 H 1 1.573 . . 1 . . . . . . . . 5952 1 923 . 1 1 72 72 ILE CD1 C 13 7.910 . . 1 . . . . . . . . 5952 1 924 . 1 1 72 72 ILE HD11 H 1 0.727 . . 1 . . . . . . . . 5952 1 925 . 1 1 72 72 ILE HD12 H 1 0.727 . . 1 . . . . . . . . 5952 1 926 . 1 1 72 72 ILE HD13 H 1 0.727 . . 1 . . . . . . . . 5952 1 927 . 1 1 72 72 ILE CG2 C 13 16.620 . . 1 . . . . . . . . 5952 1 928 . 1 1 72 72 ILE HG21 H 1 0.806 . . 1 . . . . . . . . 5952 1 929 . 1 1 72 72 ILE HG22 H 1 0.806 . . 1 . . . . . . . . 5952 1 930 . 1 1 72 72 ILE HG23 H 1 0.806 . . 1 . . . . . . . . 5952 1 931 . 1 1 72 72 ILE C C 13 172.991 . . 1 . . . . . . . . 5952 1 932 . 1 1 73 73 THR N N 15 121.360 . . 1 . . . . . . . . 5952 1 933 . 1 1 73 73 THR H H 1 9.006 . . 1 . . . . . . . . 5952 1 934 . 1 1 73 73 THR CA C 13 59.850 . . 1 . . . . . . . . 5952 1 935 . 1 1 73 73 THR HA H 1 4.534 . . 1 . . . . . . . . 5952 1 936 . 1 1 73 73 THR CB C 13 67.996 . . 1 . . . . . . . . 5952 1 937 . 1 1 73 73 THR HB H 1 4.141 . . 1 . . . . . . . . 5952 1 938 . 1 1 73 73 THR CG2 C 13 19.080 . . 1 . . . . . . . . 5952 1 939 . 1 1 73 73 THR HG21 H 1 1.296 . . 1 . . . . . . . . 5952 1 940 . 1 1 73 73 THR HG22 H 1 1.296 . . 1 . . . . . . . . 5952 1 941 . 1 1 73 73 THR HG23 H 1 1.296 . . 1 . . . . . . . . 5952 1 942 . 1 1 73 73 THR C C 13 171.529 . . 1 . . . . . . . . 5952 1 943 . 1 1 74 74 VAL N N 15 127.071 . . 1 . . . . . . . . 5952 1 944 . 1 1 74 74 VAL H H 1 8.819 . . 1 . . . . . . . . 5952 1 945 . 1 1 74 74 VAL CA C 13 59.540 . . 1 . . . . . . . . 5952 1 946 . 1 1 74 74 VAL HA H 1 4.723 . . 1 . . . . . . . . 5952 1 947 . 1 1 74 74 VAL CB C 13 31.292 . . 1 . . . . . . . . 5952 1 948 . 1 1 74 74 VAL HB H 1 2.117 . . 1 . . . . . . . . 5952 1 949 . 1 1 74 74 VAL CG2 C 13 19.200 . . 1 . . . . . . . . 5952 1 950 . 1 1 74 74 VAL HG21 H 1 0.939 . . 2 . . . . . . . . 5952 1 951 . 1 1 74 74 VAL HG22 H 1 0.939 . . 2 . . . . . . . . 5952 1 952 . 1 1 74 74 VAL HG23 H 1 0.939 . . 2 . . . . . . . . 5952 1 953 . 1 1 74 74 VAL CG1 C 13 19.400 . . 1 . . . . . . . . 5952 1 954 . 1 1 74 74 VAL HG11 H 1 1.013 . . 2 . . . . . . . . 5952 1 955 . 1 1 74 74 VAL HG12 H 1 1.013 . . 2 . . . . . . . . 5952 1 956 . 1 1 74 74 VAL HG13 H 1 1.013 . . 2 . . . . . . . . 5952 1 957 . 1 1 74 74 VAL C C 13 174.203 . . 1 . . . . . . . . 5952 1 958 . 1 1 75 75 SER N N 15 123.038 . . 1 . . . . . . . . 5952 1 959 . 1 1 75 75 SER H H 1 9.138 . . 1 . . . . . . . . 5952 1 960 . 1 1 75 75 SER CA C 13 54.669 . . 1 . . . . . . . . 5952 1 961 . 1 1 75 75 SER HA H 1 5.169 . . 1 . . . . . . . . 5952 1 962 . 1 1 75 75 SER CB C 13 63.096 . . 1 . . . . . . . . 5952 1 963 . 1 1 75 75 SER HB3 H 1 3.862 . . 2 . . . . . . . . 5952 1 964 . 1 1 75 75 SER HB2 H 1 4.091 . . 2 . . . . . . . . 5952 1 965 . 1 1 75 75 SER C C 13 171.290 . . 1 . . . . . . . . 5952 1 966 . 1 1 76 76 THR N N 15 113.150 . . 1 . . . . . . . . 5952 1 967 . 1 1 76 76 THR H H 1 8.685 . . 1 . . . . . . . . 5952 1 968 . 1 1 76 76 THR CA C 13 57.386 . . 1 . . . . . . . . 5952 1 969 . 1 1 76 76 THR HA H 1 4.963 . . 1 . . . . . . . . 5952 1 970 . 1 1 76 76 THR CB C 13 68.236 . . 1 . . . . . . . . 5952 1 971 . 1 1 76 76 THR HB H 1 4.184 . . 1 . . . . . . . . 5952 1 972 . 1 1 76 76 THR CG2 C 13 19.330 . . 1 . . . . . . . . 5952 1 973 . 1 1 76 76 THR HG21 H 1 1.169 . . 1 . . . . . . . . 5952 1 974 . 1 1 76 76 THR HG22 H 1 1.169 . . 1 . . . . . . . . 5952 1 975 . 1 1 76 76 THR HG23 H 1 1.169 . . 1 . . . . . . . . 5952 1 976 . 1 1 76 76 THR C C 13 171.802 . . 1 . . . . . . . . 5952 1 977 . 1 1 77 77 GLY N N 15 107.333 . . 1 . . . . . . . . 5952 1 978 . 1 1 77 77 GLY H H 1 7.445 . . 1 . . . . . . . . 5952 1 979 . 1 1 77 77 GLY CA C 13 43.510 . . 1 . . . . . . . . 5952 1 980 . 1 1 77 77 GLY HA3 H 1 4.183 . . 2 . . . . . . . . 5952 1 981 . 1 1 77 77 GLY HA2 H 1 4.323 . . 2 . . . . . . . . 5952 1 982 . 1 1 77 77 GLY C C 13 170.176 . . 1 . . . . . . . . 5952 1 983 . 1 1 78 78 PHE N N 15 119.762 . . 1 . . . . . . . . 5952 1 984 . 1 1 78 78 PHE H H 1 9.058 . . 1 . . . . . . . . 5952 1 985 . 1 1 78 78 PHE CA C 13 54.401 . . 1 . . . . . . . . 5952 1 986 . 1 1 78 78 PHE HA H 1 5.698 . . 1 . . . . . . . . 5952 1 987 . 1 1 78 78 PHE CB C 13 42.954 . . 1 . . . . . . . . 5952 1 988 . 1 1 78 78 PHE HB3 H 1 2.848 . . 2 . . . . . . . . 5952 1 989 . 1 1 78 78 PHE HB2 H 1 3.041 . . 2 . . . . . . . . 5952 1 990 . 1 1 78 78 PHE CD1 C 13 129.200 . . 1 . . . . . . . . 5952 1 991 . 1 1 78 78 PHE HD1 H 1 7.403 . . 1 . . . . . . . . 5952 1 992 . 1 1 78 78 PHE CE1 C 13 130.010 . . 1 . . . . . . . . 5952 1 993 . 1 1 78 78 PHE HE1 H 1 7.095 . . 1 . . . . . . . . 5952 1 994 . 1 1 78 78 PHE CE2 C 13 130.010 . . 1 . . . . . . . . 5952 1 995 . 1 1 78 78 PHE HE2 H 1 7.095 . . 1 . . . . . . . . 5952 1 996 . 1 1 78 78 PHE CD2 C 13 129.200 . . 1 . . . . . . . . 5952 1 997 . 1 1 78 78 PHE HD2 H 1 7.403 . . 1 . . . . . . . . 5952 1 998 . 1 1 78 78 PHE C C 13 172.243 . . 1 . . . . . . . . 5952 1 999 . 1 1 79 79 MET N N 15 118.217 . . 1 . . . . . . . . 5952 1 1000 . 1 1 79 79 MET H H 1 9.303 . . 1 . . . . . . . . 5952 1 1001 . 1 1 79 79 MET CA C 13 53.428 . . 1 . . . . . . . . 5952 1 1002 . 1 1 79 79 MET HA H 1 5.239 . . 1 . . . . . . . . 5952 1 1003 . 1 1 79 79 MET CB C 13 36.610 . . 1 . . . . . . . . 5952 1 1004 . 1 1 79 79 MET HB3 H 1 2.259 . . 1 . . . . . . . . 5952 1 1005 . 1 1 79 79 MET HB2 H 1 2.259 . . 1 . . . . . . . . 5952 1 1006 . 1 1 79 79 MET HG3 H 1 2.868 . . 2 . . . . . . . . 5952 1 1007 . 1 1 79 79 MET HG2 H 1 2.590 . . 2 . . . . . . . . 5952 1 1008 . 1 1 79 79 MET CE C 13 14.480 . . 1 . . . . . . . . 5952 1 1009 . 1 1 79 79 MET HE1 H 1 2.354 . . 1 . . . . . . . . 5952 1 1010 . 1 1 79 79 MET HE2 H 1 2.354 . . 1 . . . . . . . . 5952 1 1011 . 1 1 79 79 MET HE3 H 1 2.354 . . 1 . . . . . . . . 5952 1 1012 . 1 1 79 79 MET C C 13 172.530 . . 1 . . . . . . . . 5952 1 1013 . 1 1 80 80 SER N N 15 121.742 . . 1 . . . . . . . . 5952 1 1014 . 1 1 80 80 SER H H 1 9.098 . . 1 . . . . . . . . 5952 1 1015 . 1 1 80 80 SER CA C 13 56.272 . . 1 . . . . . . . . 5952 1 1016 . 1 1 80 80 SER HA H 1 4.991 . . 1 . . . . . . . . 5952 1 1017 . 1 1 80 80 SER CB C 13 61.170 . . 1 . . . . . . . . 5952 1 1018 . 1 1 80 80 SER HB3 H 1 3.839 . . 2 . . . . . . . . 5952 1 1019 . 1 1 80 80 SER HB2 H 1 4.207 . . 2 . . . . . . . . 5952 1 1020 . 1 1 80 80 SER C C 13 170.528 . . 1 . . . . . . . . 5952 1 1021 . 1 1 81 81 ILE N N 15 129.722 . . 1 . . . . . . . . 5952 1 1022 . 1 1 81 81 ILE H H 1 8.346 . . 1 . . . . . . . . 5952 1 1023 . 1 1 81 81 ILE CA C 13 60.100 . . 1 . . . . . . . . 5952 1 1024 . 1 1 81 81 ILE HA H 1 4.391 . . 1 . . . . . . . . 5952 1 1025 . 1 1 81 81 ILE CB C 13 37.540 . . 1 . . . . . . . . 5952 1 1026 . 1 1 81 81 ILE HB H 1 1.920 . . 1 . . . . . . . . 5952 1 1027 . 1 1 81 81 ILE CG1 C 13 25.560 . . 2 . . . . . . . . 5952 1 1028 . 1 1 81 81 ILE HG13 H 1 1.490 . . 1 . . . . . . . . 5952 1 1029 . 1 1 81 81 ILE HG12 H 1 1.324 . . 1 . . . . . . . . 5952 1 1030 . 1 1 81 81 ILE CD1 C 13 11.450 . . 1 . . . . . . . . 5952 1 1031 . 1 1 81 81 ILE HD11 H 1 0.668 . . 1 . . . . . . . . 5952 1 1032 . 1 1 81 81 ILE HD12 H 1 0.668 . . 1 . . . . . . . . 5952 1 1033 . 1 1 81 81 ILE HD13 H 1 0.668 . . 1 . . . . . . . . 5952 1 1034 . 1 1 81 81 ILE CG2 C 13 15.530 . . 1 . . . . . . . . 5952 1 1035 . 1 1 81 81 ILE HG21 H 1 0.985 . . 1 . . . . . . . . 5952 1 1036 . 1 1 81 81 ILE HG22 H 1 0.985 . . 1 . . . . . . . . 5952 1 1037 . 1 1 81 81 ILE HG23 H 1 0.985 . . 1 . . . . . . . . 5952 1 1038 . 1 1 81 81 ILE C C 13 178.310 . . 1 . . . . . . . . 5952 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants_1 _Coupling_constant_list.Entry_ID 5952 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $condition_1 _Coupling_constant_list.Spectrometer_frequency_1H . _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 5952 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 4 4 ILE H . . . . 1 1 4 4 ILE HA . . . 8.8 . . 2.0 . . . . . . . . . . . 5952 1 2 3JHNHA . 1 1 5 5 VAL H . . . . 1 1 5 5 VAL HA . . . 8.6 . . 2.0 . . . . . . . . . . . 5952 1 3 3JHNHA . 1 1 6 6 HIS H . . . . 1 1 6 6 HIS HA . . . 9.6 . . 2.0 . . . . . . . . . . . 5952 1 4 3JHNHA . 1 1 7 7 LEU H . . . . 1 1 7 7 LEU HA . . . 10.0 . . 2.0 . . . . . . . . . . . 5952 1 5 3JHNHA . 1 1 8 8 LYS H . . . . 1 1 8 8 LYS HA . . . 8.9 . . 2.0 . . . . . . . . . . . 5952 1 6 3JHNHA . 1 1 10 10 ASP H . . . . 1 1 10 10 ASP HA . . . 4.8 . . 2.0 . . . . . . . . . . . 5952 1 7 3JHNHA . 1 1 11 11 ALA H . . . . 1 1 11 11 ALA HA . . . 3.0 . . 2.0 . . . . . . . . . . . 5952 1 8 3JHNHA . 1 1 13 13 THR H . . . . 1 1 13 13 THR HA . . . 3.9 . . 2.0 . . . . . . . . . . . 5952 1 9 3JHNHA . 1 1 15 15 LYS H . . . . 1 1 15 15 LYS HA . . . 4.1 . . 2.0 . . . . . . . . . . . 5952 1 10 3JHNHA . 1 1 16 16 CYS H . . . . 1 1 16 16 CYS HA . . . 5.5 . . 2.0 . . . . . . . . . . . 5952 1 11 3JHNHA . 1 1 17 17 LEU H . . . . 1 1 17 17 LEU HA . . . 4.0 . . 2.0 . . . . . . . . . . . 5952 1 12 3JHNHA . 1 1 18 18 ARG H . . . . 1 1 18 18 ARG HA . . . 2.6 . . 2.0 . . . . . . . . . . . 5952 1 13 3JHNHA . 1 1 19 19 TYR H . . . . 1 1 19 19 TYR HA . . . 4.8 . . 2.0 . . . . . . . . . . . 5952 1 14 3JHNHA . 1 1 21 21 PHE H . . . . 1 1 21 21 PHE HA . . . 5.0 . . 2.0 . . . . . . . . . . . 5952 1 15 3JHNHA . 1 1 22 22 LYS H . . . . 1 1 22 22 LYS HA . . . 4.6 . . 2.0 . . . . . . . . . . . 5952 1 16 3JHNHA . 1 1 23 23 LYS H . . . . 1 1 23 23 LYS HA . . . 6.2 . . 2.0 . . . . . . . . . . . 5952 1 17 3JHNHA . 1 1 24 24 HIS H . . . . 1 1 24 24 HIS HA . . . 8.7 . . 2.0 . . . . . . . . . . . 5952 1 18 3JHNHA . 1 1 25 25 CYS H . . . . 1 1 25 25 CYS HA . . . 3.8 . . 2.0 . . . . . . . . . . . 5952 1 19 3JHNHA . 1 1 26 26 THR H . . . . 1 1 26 26 THR HA . . . 8.9 . . 2.0 . . . . . . . . . . . 5952 1 20 3JHNHA . 1 1 27 27 LEU H . . . . 1 1 27 27 LEU HA . . . 8.4 . . 2.0 . . . . . . . . . . . 5952 1 21 3JHNHA . 1 1 29 29 THR H . . . . 1 1 29 29 THR HA . . . 9.1 . . 2.0 . . . . . . . . . . . 5952 1 22 3JHNHA . 1 1 30 30 ALA H . . . . 1 1 30 30 ALA HA . . . 7.0 . . 2.0 . . . . . . . . . . . 5952 1 23 3JHNHA . 1 1 31 31 VAL H . . . . 1 1 31 31 VAL HA . . . 8.1 . . 2.0 . . . . . . . . . . . 5952 1 24 3JHNHA . 1 1 33 33 SER H . . . . 1 1 33 33 SER HA . . . 4.3 . . 2.0 . . . . . . . . . . . 5952 1 25 3JHNHA . 1 1 34 34 THR H . . . . 1 1 34 34 THR HA . . . 5.2 . . 2.0 . . . . . . . . . . . 5952 1 26 3JHNHA . 1 1 35 35 TRP H . . . . 1 1 35 35 TRP HA . . . 8.5 . . 2.0 . . . . . . . . . . . 5952 1 27 3JHNHA . 1 1 36 36 HIS H . . . . 1 1 36 36 HIS HA . . . 6.3 . . 2.0 . . . . . . . . . . . 5952 1 28 3JHNHA . 1 1 37 37 TRP H . . . . 1 1 37 37 TRP HA . . . 6.8 . . 2.0 . . . . . . . . . . . 5952 1 29 3JHNHA . 1 1 48 48 ILE H . . . . 1 1 48 48 ILE HA . . . 8.9 . . 2.0 . . . . . . . . . . . 5952 1 30 3JHNHA . 1 1 50 50 THR H . . . . 1 1 50 50 THR HA . . . 8.6 . . 2.0 . . . . . . . . . . . 5952 1 31 3JHNHA . 1 1 51 51 LEU H . . . . 1 1 51 51 LEU HA . . . 9.5 . . 2.0 . . . . . . . . . . . 5952 1 32 3JHNHA . 1 1 52 52 THR H . . . . 1 1 52 52 THR HA . . . 8.9 . . 2.0 . . . . . . . . . . . 5952 1 33 3JHNHA . 1 1 57 57 TRP H . . . . 1 1 57 57 TRP HA . . . 3.4 . . 2.0 . . . . . . . . . . . 5952 1 34 3JHNHA . 1 1 58 58 GLN H . . . . 1 1 58 58 GLN HA . . . 4.0 . . 2.0 . . . . . . . . . . . 5952 1 35 3JHNHA . 1 1 59 59 ARG H . . . . 1 1 59 59 ARG HA . . . 4.0 . . 2.0 . . . . . . . . . . . 5952 1 36 3JHNHA . 1 1 60 60 ASP H . . . . 1 1 60 60 ASP HA . . . 4.3 . . 2.0 . . . . . . . . . . . 5952 1 37 3JHNHA . 1 1 61 61 GLN H . . . . 1 1 61 61 GLN HA . . . 4.9 . . 2.0 . . . . . . . . . . . 5952 1 38 3JHNHA . 1 1 62 62 PHE H . . . . 1 1 62 62 PHE HA . . . 3.6 . . 2.0 . . . . . . . . . . . 5952 1 39 3JHNHA . 1 1 63 63 LEU H . . . . 1 1 63 63 LEU HA . . . 4.1 . . 2.0 . . . . . . . . . . . 5952 1 40 3JHNHA . 1 1 68 68 ILE H . . . . 1 1 68 68 ILE HA . . . 8.0 . . 2.0 . . . . . . . . . . . 5952 1 41 3JHNHA . 1 1 71 71 THR H . . . . 1 1 71 71 THR HA . . . 7.5 . . 2.0 . . . . . . . . . . . 5952 1 42 3JHNHA . 1 1 72 72 ILE H . . . . 1 1 72 72 ILE HA . . . 8.6 . . 2.0 . . . . . . . . . . . 5952 1 43 3JHNHA . 1 1 73 73 THR H . . . . 1 1 73 73 THR HA . . . 8.7 . . 2.0 . . . . . . . . . . . 5952 1 44 3JHNHA . 1 1 74 74 VAL H . . . . 1 1 74 74 VAL HA . . . 8.4 . . 2.0 . . . . . . . . . . . 5952 1 45 3JHNHA . 1 1 75 75 SER H . . . . 1 1 75 75 SER HA . . . 9.2 . . 2.0 . . . . . . . . . . . 5952 1 46 3JHNHA . 1 1 76 76 THR H . . . . 1 1 76 76 THR HA . . . 9.8 . . 2.0 . . . . . . . . . . . 5952 1 47 3JHNHA . 1 1 78 78 PHE H . . . . 1 1 78 78 PHE HA . . . 8.4 . . 2.0 . . . . . . . . . . . 5952 1 stop_ save_