data_4933 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4933 _Entry.Title ; 1H and 15N Chemical Shift Assignments for a Cys58Ser mutant of TFF1 ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2000-12-22 _Entry.Accession_date 2000-12-22 _Entry.Last_release_date 2001-02-15 _Entry.Original_release_date 2001-02-15 _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 Mark Williams . A. . 4933 2 Vladimir Polshakov . I. . 4933 3 James Feeney . . . 4933 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4933 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 386 4933 '15N chemical shifts' 59 4933 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 . . 2001-02-15 2000-12-22 original author . 4933 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4933 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 96085149 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR-based structural Studies of the pNR-2/pS2 single domain trefoil peptide' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Eur. J. Biochem.' _Citation.Journal_name_full . _Citation.Journal_volume 233 _Citation.Journal_issue . _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 847 _Citation.Page_last 855 _Citation.Year 1995 _Citation.Details ; Some supplementary and corrected assignments from Polshakov et al. (1997) see reference ref_1. ; 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 Vladimir Polshakov . I. . 4933 1 2 Frenkiel Thomas . A. . 4933 1 3 Bruce Westley . R. . 4933 1 4 Mark Chadwick . P. . 4933 1 5 Felicity May . E.B. . 4933 1 6 Mark Carr . D. . 4933 1 7 James Feeney . . . 4933 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID trefoil 4933 1 ps2 4933 1 pNR-2 4933 1 TFF1 4933 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 4933 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 97250379 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Polshakov VI, Williams MA, Gargaro AR, Frenkiel TA, Westley BR, Chadwick MP, May FE, Feeney J. High-resolution solution structure of human pNR-2/pS2: a single trefoil motif protein. J Mol Biol. 1997 Mar 28;267(2):418-32. ; _Citation.Title . _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TFF1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TFF1 _Assembly.Entry_ID 4933 _Assembly.ID 1 _Assembly.Name 'Human Trefoil Factor Family 1 protein' _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 disulfide bound' _Assembly.Molecular_mass . _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 monomer 4933 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 'TFF1 mutant' 1 $TFF1_mutant . . . native . . . . . 4933 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulphide single . 1 . . CYS 7 7 SG . 1 . 1 CYS 33 33 SG . . . . . . . . . . 4933 1 2 disulphide single . 1 . . CYS 17 17 SG . 1 . 1 CYS 32 32 SG . . . . . . . . . . 4933 1 3 disulphide single . 1 . . CYS 27 27 SG . 1 . 1 CYS 44 44 SG . . . . . . . . . . 4933 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1PS2 . . . . . . 4933 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Human Trefoil Factor Family 1 protein' system 4933 1 TFF1 abbreviation 4933 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID motogen 4933 1 'growth factor' 4933 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TFF1_mutant _Entity.Sf_category entity _Entity.Sf_framecode TFF1_mutant _Entity.Entry_ID 4933 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Trefoil Factor Family 1' _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 ; EAQTETCTVAPRERQNCGFP GVTPSQCANKGCCFDDTVRG VPWCFYPNTIDVPPEEESEF ; _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 60 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _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 ; active as a disulphide-linked dimer with link formed by wild-type c58 of both subunits ; _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 4930 . TFF1_monomer . . . . . 100.00 60 98.33 98.33 8.38e-34 . . . . 4933 1 2 no PDB 1HI7 . "Nmr Solution Structure Of The Disulphide-Linked Dimeric Of Human Tff1, 10 Structures" . . . . . 100.00 60 98.33 98.33 8.38e-34 . . . . 4933 1 3 no PDB 1PS2 . "High Resolution Nmr Solution Structure Of Human Ps2, 19 Structures" . . . . . 100.00 60 100.00 100.00 7.52e-35 . . . . 4933 1 4 no DBJ BAA95532 . "trefoil factor, BCE1 [Homo sapiens]" . . . . . 100.00 84 98.33 98.33 4.28e-35 . . . . 4933 1 5 no DBJ BAB13729 . "trefoil factor 1 [Homo sapiens]" . . . . . 100.00 84 98.33 98.33 4.28e-35 . . . . 4933 1 6 no EMBL CAA25155 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 84 98.33 98.33 4.28e-35 . . . . 4933 1 7 no EMBL CAA28695 . "pS2 [Homo sapiens]" . . . . . 100.00 84 98.33 98.33 4.28e-35 . . . . 4933 1 8 no EMBL CAA36254 . "pS2 protein [Homo sapiens]" . . . . . 100.00 84 98.33 98.33 4.28e-35 . . . . 4933 1 9 no GB AAA52402 . "estrogen receptor, partial [Homo sapiens]" . . . . . 100.00 83 98.33 98.33 5.77e-35 . . . . 4933 1 10 no GB AAH32811 . "Trefoil factor 1 [Homo sapiens]" . . . . . 100.00 84 98.33 98.33 4.28e-35 . . . . 4933 1 11 no GB AAX36234 . "trefoil factor 1 [synthetic construct]" . . . . . 100.00 84 98.33 98.33 4.28e-35 . . . . 4933 1 12 no GB AAX36702 . "trefoil factor 1 [synthetic construct]" . . . . . 100.00 85 98.33 98.33 3.99e-35 . . . . 4933 1 13 no GB AAX41076 . "trefoil factor 1 [synthetic construct]" . . . . . 100.00 84 98.33 98.33 4.28e-35 . . . . 4933 1 14 no PRF 1502207A . "pS2 protein" . . . . . 100.00 84 98.33 98.33 4.28e-35 . . . . 4933 1 15 no PRF 1716375A . "estrogen-regulated protein pNR-2" . . . . . 100.00 84 98.33 98.33 4.28e-35 . . . . 4933 1 16 no REF NP_003216 . "trefoil factor 1 precursor [Homo sapiens]" . . . . . 100.00 84 98.33 98.33 4.28e-35 . . . . 4933 1 17 no REF XP_008975839 . "PREDICTED: trefoil factor 1 [Pan paniscus]" . . . . . 100.00 84 98.33 98.33 4.06e-35 . . . . 4933 1 18 no REF XP_009433935 . "PREDICTED: trefoil factor 1 [Pan troglodytes]" . . . . . 100.00 84 98.33 98.33 4.06e-35 . . . . 4933 1 19 no SP P04155 . "RecName: Full=Trefoil factor 1; AltName: Full=Breast cancer estrogen-inducible protein; AltName: Full=PNR-2; AltName: Full=Poly" . . . . . 100.00 84 98.33 98.33 4.28e-35 . . . . 4933 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Trefoil Factor Family 1' common 4933 1 C58S variant 4933 1 TFF1 abbreviation 4933 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 . GLU . 4933 1 2 . ALA . 4933 1 3 . GLN . 4933 1 4 . THR . 4933 1 5 . GLU . 4933 1 6 . THR . 4933 1 7 . CYS . 4933 1 8 . THR . 4933 1 9 . VAL . 4933 1 10 . ALA . 4933 1 11 . PRO . 4933 1 12 . ARG . 4933 1 13 . GLU . 4933 1 14 . ARG . 4933 1 15 . GLN . 4933 1 16 . ASN . 4933 1 17 . CYS . 4933 1 18 . GLY . 4933 1 19 . PHE . 4933 1 20 . PRO . 4933 1 21 . GLY . 4933 1 22 . VAL . 4933 1 23 . THR . 4933 1 24 . PRO . 4933 1 25 . SER . 4933 1 26 . GLN . 4933 1 27 . CYS . 4933 1 28 . ALA . 4933 1 29 . ASN . 4933 1 30 . LYS . 4933 1 31 . GLY . 4933 1 32 . CYS . 4933 1 33 . CYS . 4933 1 34 . PHE . 4933 1 35 . ASP . 4933 1 36 . ASP . 4933 1 37 . THR . 4933 1 38 . VAL . 4933 1 39 . ARG . 4933 1 40 . GLY . 4933 1 41 . VAL . 4933 1 42 . PRO . 4933 1 43 . TRP . 4933 1 44 . CYS . 4933 1 45 . PHE . 4933 1 46 . TYR . 4933 1 47 . PRO . 4933 1 48 . ASN . 4933 1 49 . THR . 4933 1 50 . ILE . 4933 1 51 . ASP . 4933 1 52 . VAL . 4933 1 53 . PRO . 4933 1 54 . PRO . 4933 1 55 . GLU . 4933 1 56 . GLU . 4933 1 57 . GLU . 4933 1 58 . SER . 4933 1 59 . GLU . 4933 1 60 . PHE . 4933 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 . GLU 1 1 4933 1 . ALA 2 2 4933 1 . GLN 3 3 4933 1 . THR 4 4 4933 1 . GLU 5 5 4933 1 . THR 6 6 4933 1 . CYS 7 7 4933 1 . THR 8 8 4933 1 . VAL 9 9 4933 1 . ALA 10 10 4933 1 . PRO 11 11 4933 1 . ARG 12 12 4933 1 . GLU 13 13 4933 1 . ARG 14 14 4933 1 . GLN 15 15 4933 1 . ASN 16 16 4933 1 . CYS 17 17 4933 1 . GLY 18 18 4933 1 . PHE 19 19 4933 1 . PRO 20 20 4933 1 . GLY 21 21 4933 1 . VAL 22 22 4933 1 . THR 23 23 4933 1 . PRO 24 24 4933 1 . SER 25 25 4933 1 . GLN 26 26 4933 1 . CYS 27 27 4933 1 . ALA 28 28 4933 1 . ASN 29 29 4933 1 . LYS 30 30 4933 1 . GLY 31 31 4933 1 . CYS 32 32 4933 1 . CYS 33 33 4933 1 . PHE 34 34 4933 1 . ASP 35 35 4933 1 . ASP 36 36 4933 1 . THR 37 37 4933 1 . VAL 38 38 4933 1 . ARG 39 39 4933 1 . GLY 40 40 4933 1 . VAL 41 41 4933 1 . PRO 42 42 4933 1 . TRP 43 43 4933 1 . CYS 44 44 4933 1 . PHE 45 45 4933 1 . TYR 46 46 4933 1 . PRO 47 47 4933 1 . ASN 48 48 4933 1 . THR 49 49 4933 1 . ILE 50 50 4933 1 . ASP 51 51 4933 1 . VAL 52 52 4933 1 . PRO 53 53 4933 1 . PRO 54 54 4933 1 . GLU 55 55 4933 1 . GLU 56 56 4933 1 . GLU 57 57 4933 1 . SER 58 58 4933 1 . GLU 59 59 4933 1 . PHE 60 60 4933 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 4933 _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 $TFF1_mutant . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . 'Breast, Stomach' epithelial . 'Mcf-7, Uacl' . . . . . extracellular . . . TFF1 . . . . 4933 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 4933 _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 $TFF1_mutant . 'recombinant technology' 'Escherichia coli' 'E. Coli' . . Escherichia coli JM109 . . . . . . . . . . . . plasmid . . 'Pezz18 (Pharmacia)' . . . . . . 4933 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4933 _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 'Trefoil Factor Family 1' . . . 1 $TFF1_mutant . . 1.8 . . mM . . . . 4933 1 2 'sodium phosphate' . . . . . . . 5 . . mM . . . . 4933 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4933 _Sample.ID 2 _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 'Trefoil Factor Family 1' '[U-95% 15N]' . . 1 $TFF1_mutant . . 1.3 . . mM . . . . 4933 2 2 'sodium phosphate' . . . . . . . 5 . . mM . . . . 4933 2 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 4933 _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 5.8 0.2 n/a 4933 1 temperature 298 1 K 4933 1 'ionic strength' 0.01 0.003 M 4933 1 stop_ save_ save_cond_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_2 _Sample_condition_list.Entry_ID 4933 _Sample_condition_list.ID 2 _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 5.8 0.2 n/a 4933 2 temperature 283 1 K 4933 2 'ionic strength' 0.01 0.003 M 4933 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4933 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4933 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'UNITY plus' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4933 _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 NMR_spectrometer_1 Varian UNITY . 600 . . . 4933 1 2 NMR_spectrometer_2 Varian 'UNITY plus' . 500 . . . 4933 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 4933 _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 DQF-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4933 1 2 TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4933 1 3 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4933 1 4 ROESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4933 1 5 '13C-1H HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4933 1 6 '13C-1H HSQC-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4933 1 7 '15N-1H HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4933 1 8 '15N-1H HSQC-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4933 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4933 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name DQF-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details '13C edited experiments were performed at natural abundance' save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4933 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details '13C edited experiments were performed at natural abundance' save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4933 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details '13C edited experiments were performed at natural abundance' save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4933 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name ROESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details '13C edited experiments were performed at natural abundance' save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4933 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '13C-1H HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details '13C edited experiments were performed at natural abundance' save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4933 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '13C-1H HSQC-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details '13C edited experiments were performed at natural abundance' save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4933 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '15N-1H HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details '13C edited experiments were performed at natural abundance' save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4933 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '15N-1H HSQC-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details '13C edited experiments were performed at natural abundance' 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 4933 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct . . . . . . . . . . 4933 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4933 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4933 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_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 . 4933 1 . . 2 $sample_2 . 4933 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 GLU HA H 1 4.05 0.01 . 1 . . . . . . . . 4933 1 2 . 1 1 1 1 GLU HB2 H 1 2.14 0.01 . 2 . . . . . . . . 4933 1 3 . 1 1 1 1 GLU HB3 H 1 2.08 0.01 . 2 . . . . . . . . 4933 1 4 . 1 1 1 1 GLU HG2 H 1 2.40 0.01 . 1 . . . . . . . . 4933 1 5 . 1 1 1 1 GLU HG3 H 1 2.40 0.01 . 1 . . . . . . . . 4933 1 6 . 1 1 2 2 ALA H H 1 8.80 0.01 . 1 . . . . . . . . 4933 1 7 . 1 1 2 2 ALA HA H 1 4.38 0.01 . 1 . . . . . . . . 4933 1 8 . 1 1 2 2 ALA HB1 H 1 1.39 0.01 . 1 . . . . . . . . 4933 1 9 . 1 1 2 2 ALA HB2 H 1 1.39 0.01 . 1 . . . . . . . . 4933 1 10 . 1 1 2 2 ALA HB3 H 1 1.39 0.01 . 1 . . . . . . . . 4933 1 11 . 1 1 2 2 ALA N N 15 125.65 0.05 . 1 . . . . . . . . 4933 1 12 . 1 1 3 3 GLN H H 1 8.51 0.01 . 1 . . . . . . . . 4933 1 13 . 1 1 3 3 GLN HA H 1 4.54 0.01 . 1 . . . . . . . . 4933 1 14 . 1 1 3 3 GLN HB2 H 1 2.13 0.01 . 1 . . . . . . . . 4933 1 15 . 1 1 3 3 GLN HB3 H 1 2.00 0.01 . 1 . . . . . . . . 4933 1 16 . 1 1 3 3 GLN HG2 H 1 2.40 0.01 . 1 . . . . . . . . 4933 1 17 . 1 1 3 3 GLN HG3 H 1 2.40 0.01 . 1 . . . . . . . . 4933 1 18 . 1 1 3 3 GLN HE21 H 1 7.58 0.01 . 2 . . . . . . . . 4933 1 19 . 1 1 3 3 GLN HE22 H 1 6.84 0.01 . 2 . . . . . . . . 4933 1 20 . 1 1 3 3 GLN N N 15 129.95 0.05 . 1 . . . . . . . . 4933 1 21 . 1 1 3 3 GLN NE2 N 15 112.25 0.05 . 1 . . . . . . . . 4933 1 22 . 1 1 4 4 THR H H 1 8.36 0.01 . 1 . . . . . . . . 4933 1 23 . 1 1 4 4 THR HA H 1 4.80 0.01 . 1 . . . . . . . . 4933 1 24 . 1 1 4 4 THR HB H 1 4.38 0.01 . 1 . . . . . . . . 4933 1 25 . 1 1 4 4 THR HG21 H 1 1.20 0.01 . 1 . . . . . . . . 4933 1 26 . 1 1 4 4 THR HG22 H 1 1.20 0.01 . 1 . . . . . . . . 4933 1 27 . 1 1 4 4 THR HG23 H 1 1.20 0.01 . 1 . . . . . . . . 4933 1 28 . 1 1 4 4 THR N N 15 114.65 0.05 . 1 . . . . . . . . 4933 1 29 . 1 1 5 5 GLU H H 1 8.53 0.01 . 1 . . . . . . . . 4933 1 30 . 1 1 5 5 GLU HA H 1 4.73 0.01 . 1 . . . . . . . . 4933 1 31 . 1 1 5 5 GLU HB2 H 1 2.04 0.01 . 1 . . . . . . . . 4933 1 32 . 1 1 5 5 GLU HB3 H 1 1.98 0.01 . 1 . . . . . . . . 4933 1 33 . 1 1 5 5 GLU HG2 H 1 2.28 0.01 . 1 . . . . . . . . 4933 1 34 . 1 1 5 5 GLU HG3 H 1 2.28 0.01 . 1 . . . . . . . . 4933 1 35 . 1 1 5 5 GLU N N 15 122.20 0.05 . 1 . . . . . . . . 4933 1 36 . 1 1 6 6 THR H H 1 8.35 0.01 . 1 . . . . . . . . 4933 1 37 . 1 1 6 6 THR HA H 1 4.62 0.01 . 1 . . . . . . . . 4933 1 38 . 1 1 6 6 THR HB H 1 4.23 0.01 . 1 . . . . . . . . 4933 1 39 . 1 1 6 6 THR HG21 H 1 1.23 0.01 . 1 . . . . . . . . 4933 1 40 . 1 1 6 6 THR HG22 H 1 1.23 0.01 . 1 . . . . . . . . 4933 1 41 . 1 1 6 6 THR HG23 H 1 1.23 0.01 . 1 . . . . . . . . 4933 1 42 . 1 1 6 6 THR N N 15 112.7 0.05 . 1 . . . . . . . . 4933 1 43 . 1 1 7 7 CYS H H 1 8.25 0.01 . 1 . . . . . . . . 4933 1 44 . 1 1 7 7 CYS HA H 1 5.30 0.01 . 1 . . . . . . . . 4933 1 45 . 1 1 7 7 CYS HB2 H 1 3.50 0.01 . 1 . . . . . . . . 4933 1 46 . 1 1 7 7 CYS HB3 H 1 2.81 0.01 . 1 . . . . . . . . 4933 1 47 . 1 1 7 7 CYS N N 15 118.45 0.05 . 1 . . . . . . . . 4933 1 48 . 1 1 8 8 THR H H 1 8.12 0.01 . 1 . . . . . . . . 4933 1 49 . 1 1 8 8 THR HA H 1 4.28 0.01 . 1 . . . . . . . . 4933 1 50 . 1 1 8 8 THR HB H 1 4.36 0.01 . 1 . . . . . . . . 4933 1 51 . 1 1 8 8 THR HG21 H 1 1.20 0.01 . 1 . . . . . . . . 4933 1 52 . 1 1 8 8 THR HG22 H 1 1.20 0.01 . 1 . . . . . . . . 4933 1 53 . 1 1 8 8 THR HG23 H 1 1.20 0.01 . 1 . . . . . . . . 4933 1 54 . 1 1 8 8 THR N N 15 119.1 0.05 . 1 . . . . . . . . 4933 1 55 . 1 1 9 9 VAL H H 1 7.41 0.01 . 1 . . . . . . . . 4933 1 56 . 1 1 9 9 VAL HA H 1 4.07 0.01 . 1 . . . . . . . . 4933 1 57 . 1 1 9 9 VAL HB H 1 1.72 0.01 . 1 . . . . . . . . 4933 1 58 . 1 1 9 9 VAL HG11 H 1 0.93 0.01 . 1 . . . . . . . . 4933 1 59 . 1 1 9 9 VAL HG12 H 1 0.93 0.01 . 1 . . . . . . . . 4933 1 60 . 1 1 9 9 VAL HG13 H 1 0.93 0.01 . 1 . . . . . . . . 4933 1 61 . 1 1 9 9 VAL HG21 H 1 1.14 0.01 . 1 . . . . . . . . 4933 1 62 . 1 1 9 9 VAL HG22 H 1 1.14 0.01 . 1 . . . . . . . . 4933 1 63 . 1 1 9 9 VAL HG23 H 1 1.14 0.01 . 1 . . . . . . . . 4933 1 64 . 1 1 9 9 VAL N N 15 127.05 0.05 . 1 . . . . . . . . 4933 1 65 . 1 1 10 10 ALA H H 1 9.05 0.01 . 1 . . . . . . . . 4933 1 66 . 1 1 10 10 ALA HA H 1 4.35 0.01 . 1 . . . . . . . . 4933 1 67 . 1 1 10 10 ALA HB1 H 1 1.33 0.01 . 1 . . . . . . . . 4933 1 68 . 1 1 10 10 ALA HB2 H 1 1.33 0.01 . 1 . . . . . . . . 4933 1 69 . 1 1 10 10 ALA HB3 H 1 1.33 0.01 . 1 . . . . . . . . 4933 1 70 . 1 1 10 10 ALA N N 15 133.8 0.05 . 1 . . . . . . . . 4933 1 71 . 1 1 11 11 PRO HA H 1 3.51 0.01 . 1 . . . . . . . . 4933 1 72 . 1 1 11 11 PRO HB2 H 1 2.08 0.01 . 1 . . . . . . . . 4933 1 73 . 1 1 11 11 PRO HB3 H 1 2.01 0.01 . 1 . . . . . . . . 4933 1 74 . 1 1 11 11 PRO HG2 H 1 2.24 0.01 . 2 . . . . . . . . 4933 1 75 . 1 1 11 11 PRO HG3 H 1 1.76 0.01 . 2 . . . . . . . . 4933 1 76 . 1 1 11 11 PRO HD2 H 1 3.85 0.01 . 1 . . . . . . . . 4933 1 77 . 1 1 11 11 PRO HD3 H 1 3.73 0.01 . 1 . . . . . . . . 4933 1 78 . 1 1 12 12 ARG H H 1 8.57 0.01 . 1 . . . . . . . . 4933 1 79 . 1 1 12 12 ARG HA H 1 4.11 0.01 . 1 . . . . . . . . 4933 1 80 . 1 1 12 12 ARG HB2 H 1 1.86 0.01 . 1 . . . . . . . . 4933 1 81 . 1 1 12 12 ARG HB3 H 1 1.86 0.01 . 1 . . . . . . . . 4933 1 82 . 1 1 12 12 ARG HG2 H 1 1.61 0.01 . 1 . . . . . . . . 4933 1 83 . 1 1 12 12 ARG HG3 H 1 1.61 0.01 . 1 . . . . . . . . 4933 1 84 . 1 1 12 12 ARG HD2 H 1 3.17 0.01 . 1 . . . . . . . . 4933 1 85 . 1 1 12 12 ARG HD3 H 1 3.17 0.01 . 1 . . . . . . . . 4933 1 86 . 1 1 12 12 ARG HE H 1 7.26 0.01 . 1 . . . . . . . . 4933 1 87 . 1 1 12 12 ARG N N 15 113.05 0.05 . 1 . . . . . . . . 4933 1 88 . 1 1 13 13 GLU H H 1 8.00 0.01 . 1 . . . . . . . . 4933 1 89 . 1 1 13 13 GLU HA H 1 4.38 0.01 . 1 . . . . . . . . 4933 1 90 . 1 1 13 13 GLU HB2 H 1 2.25 0.01 . 1 . . . . . . . . 4933 1 91 . 1 1 13 13 GLU HB3 H 1 1.89 0.01 . 1 . . . . . . . . 4933 1 92 . 1 1 13 13 GLU HG2 H 1 2.20 0.01 . 1 . . . . . . . . 4933 1 93 . 1 1 13 13 GLU HG3 H 1 2.20 0.01 . 1 . . . . . . . . 4933 1 94 . 1 1 13 13 GLU N N 15 116.5 0.05 . 1 . . . . . . . . 4933 1 95 . 1 1 14 14 ARG H H 1 7.00 0.01 . 1 . . . . . . . . 4933 1 96 . 1 1 14 14 ARG HA H 1 4.18 0.01 . 1 . . . . . . . . 4933 1 97 . 1 1 14 14 ARG HB2 H 1 1.20 0.01 . 1 . . . . . . . . 4933 1 98 . 1 1 14 14 ARG HB3 H 1 1.52 0.01 . 1 . . . . . . . . 4933 1 99 . 1 1 14 14 ARG HG2 H 1 1.60 0.01 . 1 . . . . . . . . 4933 1 100 . 1 1 14 14 ARG HG3 H 1 0.37 0.01 . 1 . . . . . . . . 4933 1 101 . 1 1 14 14 ARG HD2 H 1 1.78 0.01 . 1 . . . . . . . . 4933 1 102 . 1 1 14 14 ARG HD3 H 1 2.30 0.01 . 1 . . . . . . . . 4933 1 103 . 1 1 14 14 ARG HE H 1 5.54 0.01 . 1 . . . . . . . . 4933 1 104 . 1 1 14 14 ARG HH11 H 1 6.74 0.01 . 1 . . . . . . . . 4933 1 105 . 1 1 14 14 ARG HH12 H 1 6.74 0.01 . 1 . . . . . . . . 4933 1 106 . 1 1 14 14 ARG HH21 H 1 7.13 0.01 . 2 . . . . . . . . 4933 1 107 . 1 1 14 14 ARG HH22 H 1 7.40 0.01 . 2 . . . . . . . . 4933 1 108 . 1 1 14 14 ARG N N 15 119.50 0.05 . 1 . . . . . . . . 4933 1 109 . 1 1 15 15 GLN H H 1 9.94 0.01 . 1 . . . . . . . . 4933 1 110 . 1 1 15 15 GLN HA H 1 4.63 0.01 . 1 . . . . . . . . 4933 1 111 . 1 1 15 15 GLN HB2 H 1 2.31 0.01 . 1 . . . . . . . . 4933 1 112 . 1 1 15 15 GLN HB3 H 1 2.31 0.01 . 1 . . . . . . . . 4933 1 113 . 1 1 15 15 GLN HG2 H 1 2.57 0.01 . 2 . . . . . . . . 4933 1 114 . 1 1 15 15 GLN HG3 H 1 2.45 0.01 . 2 . . . . . . . . 4933 1 115 . 1 1 15 15 GLN HE21 H 1 6.83 0.01 . 2 . . . . . . . . 4933 1 116 . 1 1 15 15 GLN HE22 H 1 7.43 0.01 . 2 . . . . . . . . 4933 1 117 . 1 1 15 15 GLN N N 15 124.6 0.05 . 1 . . . . . . . . 4933 1 118 . 1 1 15 15 GLN NE2 N 15 112.55 0.05 . 1 . . . . . . . . 4933 1 119 . 1 1 16 16 ASN H H 1 9.04 0.01 . 1 . . . . . . . . 4933 1 120 . 1 1 16 16 ASN HA H 1 4.49 0.01 . 1 . . . . . . . . 4933 1 121 . 1 1 16 16 ASN HB2 H 1 2.99 0.01 . 1 . . . . . . . . 4933 1 122 . 1 1 16 16 ASN HB3 H 1 2.78 0.01 . 1 . . . . . . . . 4933 1 123 . 1 1 16 16 ASN HD21 H 1 6.72 0.01 . 2 . . . . . . . . 4933 1 124 . 1 1 16 16 ASN HD22 H 1 7.81 0.01 . 2 . . . . . . . . 4933 1 125 . 1 1 16 16 ASN N N 15 121.25 0.05 . 1 . . . . . . . . 4933 1 126 . 1 1 16 16 ASN ND2 N 15 114.35 0.05 . 1 . . . . . . . . 4933 1 127 . 1 1 17 17 CYS H H 1 9.28 0.01 . 1 . . . . . . . . 4933 1 128 . 1 1 17 17 CYS HA H 1 4.49 0.01 . 1 . . . . . . . . 4933 1 129 . 1 1 17 17 CYS HB2 H 1 2.60 0.01 . 1 . . . . . . . . 4933 1 130 . 1 1 17 17 CYS HB3 H 1 1.48 0.01 . 1 . . . . . . . . 4933 1 131 . 1 1 17 17 CYS N N 15 126.15 0.05 . 1 . . . . . . . . 4933 1 132 . 1 1 18 18 GLY H H 1 8.02 0.01 . 1 . . . . . . . . 4933 1 133 . 1 1 18 18 GLY HA2 H 1 4.23 0.01 . 1 . . . . . . . . 4933 1 134 . 1 1 18 18 GLY HA3 H 1 3.35 0.01 . 1 . . . . . . . . 4933 1 135 . 1 1 18 18 GLY N N 15 106.75 0.05 . 1 . . . . . . . . 4933 1 136 . 1 1 19 19 PHE H H 1 6.46 0.01 . 1 . . . . . . . . 4933 1 137 . 1 1 19 19 PHE HA H 1 5.01 0.01 . 1 . . . . . . . . 4933 1 138 . 1 1 19 19 PHE HB2 H 1 3.29 0.01 . 1 . . . . . . . . 4933 1 139 . 1 1 19 19 PHE HB3 H 1 3.14 0.01 . 1 . . . . . . . . 4933 1 140 . 1 1 19 19 PHE HD1 H 1 7.03 0.01 . 1 . . . . . . . . 4933 1 141 . 1 1 19 19 PHE HD2 H 1 7.03 0.01 . 1 . . . . . . . . 4933 1 142 . 1 1 19 19 PHE HE1 H 1 7.25 0.01 . 1 . . . . . . . . 4933 1 143 . 1 1 19 19 PHE HE2 H 1 7.25 0.01 . 1 . . . . . . . . 4933 1 144 . 1 1 19 19 PHE HZ H 1 7.24 0.01 . 1 . . . . . . . . 4933 1 145 . 1 1 19 19 PHE N N 15 117.15 0.05 . 1 . . . . . . . . 4933 1 146 . 1 1 20 20 PRO HA H 1 4.30 0.01 . 1 . . . . . . . . 4933 1 147 . 1 1 20 20 PRO HB2 H 1 2.30 0.01 . 1 . . . . . . . . 4933 1 148 . 1 1 20 20 PRO HB3 H 1 2.00 0.01 . 1 . . . . . . . . 4933 1 149 . 1 1 20 20 PRO HG2 H 1 2.20 0.01 . 1 . . . . . . . . 4933 1 150 . 1 1 20 20 PRO HG3 H 1 2.20 0.01 . 1 . . . . . . . . 4933 1 151 . 1 1 20 20 PRO HD2 H 1 3.92 0.01 . 2 . . . . . . . . 4933 1 152 . 1 1 20 20 PRO HD3 H 1 3.79 0.01 . 2 . . . . . . . . 4933 1 153 . 1 1 21 21 GLY H H 1 8.90 0.01 . 1 . . . . . . . . 4933 1 154 . 1 1 21 21 GLY HA2 H 1 4.31 0.01 . 1 . . . . . . . . 4933 1 155 . 1 1 21 21 GLY HA3 H 1 3.77 0.01 . 1 . . . . . . . . 4933 1 156 . 1 1 21 21 GLY N N 15 113.4 0.05 . 1 . . . . . . . . 4933 1 157 . 1 1 22 22 VAL H H 1 7.53 0.01 . 1 . . . . . . . . 4933 1 158 . 1 1 22 22 VAL HA H 1 3.93 0.01 . 1 . . . . . . . . 4933 1 159 . 1 1 22 22 VAL HB H 1 0.84 0.01 . 1 . . . . . . . . 4933 1 160 . 1 1 22 22 VAL HG11 H 1 1.08 0.01 . 1 . . . . . . . . 4933 1 161 . 1 1 22 22 VAL HG12 H 1 1.08 0.01 . 1 . . . . . . . . 4933 1 162 . 1 1 22 22 VAL HG13 H 1 1.08 0.01 . 1 . . . . . . . . 4933 1 163 . 1 1 22 22 VAL HG21 H 1 0.84 0.01 . 1 . . . . . . . . 4933 1 164 . 1 1 22 22 VAL HG22 H 1 0.84 0.01 . 1 . . . . . . . . 4933 1 165 . 1 1 22 22 VAL HG23 H 1 0.84 0.01 . 1 . . . . . . . . 4933 1 166 . 1 1 22 22 VAL N N 15 121.95 0.05 . 1 . . . . . . . . 4933 1 167 . 1 1 23 23 THR H H 1 8.11 0.01 . 1 . . . . . . . . 4933 1 168 . 1 1 23 23 THR HA H 1 4.83 0.01 . 1 . . . . . . . . 4933 1 169 . 1 1 23 23 THR HB H 1 4.64 0.01 . 1 . . . . . . . . 4933 1 170 . 1 1 23 23 THR HG1 H 1 5.41 0.01 . 1 . . . . . . . . 4933 1 171 . 1 1 23 23 THR HG21 H 1 1.33 0.01 . 1 . . . . . . . . 4933 1 172 . 1 1 23 23 THR HG22 H 1 1.33 0.01 . 1 . . . . . . . . 4933 1 173 . 1 1 23 23 THR HG23 H 1 1.33 0.01 . 1 . . . . . . . . 4933 1 174 . 1 1 23 23 THR N N 15 117.55 0.05 . 1 . . . . . . . . 4933 1 175 . 1 1 24 24 PRO HA H 1 3.22 0.01 . 1 . . . . . . . . 4933 1 176 . 1 1 24 24 PRO HB2 H 1 1.74 0.01 . 1 . . . . . . . . 4933 1 177 . 1 1 24 24 PRO HB3 H 1 1.60 0.01 . 1 . . . . . . . . 4933 1 178 . 1 1 24 24 PRO HG2 H 1 1.74 0.01 . 2 . . . . . . . . 4933 1 179 . 1 1 24 24 PRO HG3 H 1 0.70 0.01 . 2 . . . . . . . . 4933 1 180 . 1 1 24 24 PRO HD2 H 1 3.29 0.01 . 1 . . . . . . . . 4933 1 181 . 1 1 24 24 PRO HD3 H 1 3.67 0.01 . 1 . . . . . . . . 4933 1 182 . 1 1 25 25 SER H H 1 8.07 0.01 . 1 . . . . . . . . 4933 1 183 . 1 1 25 25 SER HA H 1 4.15 0.01 . 1 . . . . . . . . 4933 1 184 . 1 1 25 25 SER HB2 H 1 3.78 0.01 . 1 . . . . . . . . 4933 1 185 . 1 1 25 25 SER HB3 H 1 3.78 0.01 . 1 . . . . . . . . 4933 1 186 . 1 1 25 25 SER N N 15 112.0 0.05 . 1 . . . . . . . . 4933 1 187 . 1 1 26 26 GLN H H 1 7.62 0.01 . 1 . . . . . . . . 4933 1 188 . 1 1 26 26 GLN HA H 1 4.02 0.01 . 1 . . . . . . . . 4933 1 189 . 1 1 26 26 GLN HB2 H 1 1.95 0.01 . 1 . . . . . . . . 4933 1 190 . 1 1 26 26 GLN HB3 H 1 2.37 0.01 . 1 . . . . . . . . 4933 1 191 . 1 1 26 26 GLN HG2 H 1 2.50 0.01 . 1 . . . . . . . . 4933 1 192 . 1 1 26 26 GLN HG3 H 1 2.50 0.01 . 1 . . . . . . . . 4933 1 193 . 1 1 26 26 GLN HE21 H 1 6.82 0.01 . 2 . . . . . . . . 4933 1 194 . 1 1 26 26 GLN HE22 H 1 7.51 0.01 . 2 . . . . . . . . 4933 1 195 . 1 1 26 26 GLN N N 15 122.15 0.05 . 1 . . . . . . . . 4933 1 196 . 1 1 26 26 GLN NE2 N 15 109.5 0.05 . 1 . . . . . . . . 4933 1 197 . 1 1 27 27 CYS H H 1 8.37 0.01 . 1 . . . . . . . . 4933 1 198 . 1 1 27 27 CYS HA H 1 3.91 0.01 . 1 . . . . . . . . 4933 1 199 . 1 1 27 27 CYS HB2 H 1 3.20 0.01 . 1 . . . . . . . . 4933 1 200 . 1 1 27 27 CYS HB3 H 1 2.93 0.01 . 1 . . . . . . . . 4933 1 201 . 1 1 27 27 CYS N N 15 118.0 0.05 . 1 . . . . . . . . 4933 1 202 . 1 1 28 28 ALA H H 1 8.27 0.01 . 1 . . . . . . . . 4933 1 203 . 1 1 28 28 ALA HA H 1 4.27 0.01 . 1 . . . . . . . . 4933 1 204 . 1 1 28 28 ALA HB1 H 1 1.47 0.01 . 1 . . . . . . . . 4933 1 205 . 1 1 28 28 ALA HB2 H 1 1.47 0.01 . 1 . . . . . . . . 4933 1 206 . 1 1 28 28 ALA HB3 H 1 1.47 0.01 . 1 . . . . . . . . 4933 1 207 . 1 1 28 28 ALA N N 15 121.5 0.05 . 1 . . . . . . . . 4933 1 208 . 1 1 29 29 ASN H H 1 8.20 0.01 . 1 . . . . . . . . 4933 1 209 . 1 1 29 29 ASN HA H 1 4.53 0.01 . 1 . . . . . . . . 4933 1 210 . 1 1 29 29 ASN HB2 H 1 2.88 0.01 . 2 . . . . . . . . 4933 1 211 . 1 1 29 29 ASN HB3 H 1 2.94 0.01 . 2 . . . . . . . . 4933 1 212 . 1 1 29 29 ASN HD21 H 1 6.89 0.01 . 2 . . . . . . . . 4933 1 213 . 1 1 29 29 ASN HD22 H 1 7.58 0.01 . 2 . . . . . . . . 4933 1 214 . 1 1 29 29 ASN N N 15 117.9 0.05 . 1 . . . . . . . . 4933 1 215 . 1 1 29 29 ASN ND2 N 15 111.35 0.05 . 1 . . . . . . . . 4933 1 216 . 1 1 30 30 LYS H H 1 7.31 0.01 . 1 . . . . . . . . 4933 1 217 . 1 1 30 30 LYS HA H 1 4.44 0.01 . 1 . . . . . . . . 4933 1 218 . 1 1 30 30 LYS HB2 H 1 1.94 0.01 . 1 . . . . . . . . 4933 1 219 . 1 1 30 30 LYS HB3 H 1 1.94 0.01 . 1 . . . . . . . . 4933 1 220 . 1 1 30 30 LYS HG2 H 1 1.74 0.01 . 1 . . . . . . . . 4933 1 221 . 1 1 30 30 LYS HG3 H 1 1.74 0.01 . 1 . . . . . . . . 4933 1 222 . 1 1 30 30 LYS HD2 H 1 1.68 0.01 . 1 . . . . . . . . 4933 1 223 . 1 1 30 30 LYS HD3 H 1 1.68 0.01 . 1 . . . . . . . . 4933 1 224 . 1 1 30 30 LYS N N 15 117.1 0.05 . 1 . . . . . . . . 4933 1 225 . 1 1 31 31 GLY H H 1 8.09 0.01 . 1 . . . . . . . . 4933 1 226 . 1 1 31 31 GLY HA2 H 1 3.78 0.01 . 1 . . . . . . . . 4933 1 227 . 1 1 31 31 GLY HA3 H 1 4.18 0.01 . 1 . . . . . . . . 4933 1 228 . 1 1 31 31 GLY N N 15 106.65 0.05 . 1 . . . . . . . . 4933 1 229 . 1 1 32 32 CYS H H 1 7.40 0.01 . 1 . . . . . . . . 4933 1 230 . 1 1 32 32 CYS HA H 1 4.41 0.01 . 1 . . . . . . . . 4933 1 231 . 1 1 32 32 CYS HB2 H 1 3.16 0.01 . 1 . . . . . . . . 4933 1 232 . 1 1 32 32 CYS HB3 H 1 2.59 0.01 . 1 . . . . . . . . 4933 1 233 . 1 1 32 32 CYS N N 15 117.45 0.05 . 1 . . . . . . . . 4933 1 234 . 1 1 33 33 CYS H H 1 8.50 0.01 . 1 . . . . . . . . 4933 1 235 . 1 1 33 33 CYS HA H 1 4.30 0.01 . 1 . . . . . . . . 4933 1 236 . 1 1 33 33 CYS HB2 H 1 2.21 0.01 . 1 . . . . . . . . 4933 1 237 . 1 1 33 33 CYS HB3 H 1 0.88 0.01 . 1 . . . . . . . . 4933 1 238 . 1 1 33 33 CYS N N 15 120.05 0.05 . 1 . . . . . . . . 4933 1 239 . 1 1 34 34 PHE H H 1 8.56 0.01 . 1 . . . . . . . . 4933 1 240 . 1 1 34 34 PHE HA H 1 5.85 0.01 . 1 . . . . . . . . 4933 1 241 . 1 1 34 34 PHE HB2 H 1 3.06 0.01 . 1 . . . . . . . . 4933 1 242 . 1 1 34 34 PHE HB3 H 1 2.64 0.01 . 1 . . . . . . . . 4933 1 243 . 1 1 34 34 PHE HD1 H 1 7.02 0.01 . 1 . . . . . . . . 4933 1 244 . 1 1 34 34 PHE HD2 H 1 7.02 0.01 . 1 . . . . . . . . 4933 1 245 . 1 1 34 34 PHE HE1 H 1 7.23 0.01 . 1 . . . . . . . . 4933 1 246 . 1 1 34 34 PHE HE2 H 1 7.23 0.01 . 1 . . . . . . . . 4933 1 247 . 1 1 34 34 PHE HZ H 1 7.39 0.01 . 1 . . . . . . . . 4933 1 248 . 1 1 34 34 PHE N N 15 122.75 0.05 . 1 . . . . . . . . 4933 1 249 . 1 1 35 35 ASP H H 1 9.13 0.01 . 1 . . . . . . . . 4933 1 250 . 1 1 35 35 ASP HA H 1 4.52 0.01 . 1 . . . . . . . . 4933 1 251 . 1 1 35 35 ASP HB2 H 1 2.78 0.01 . 1 . . . . . . . . 4933 1 252 . 1 1 35 35 ASP HB3 H 1 3.00 0.01 . 1 . . . . . . . . 4933 1 253 . 1 1 35 35 ASP N N 15 127.45 0.05 . 1 . . . . . . . . 4933 1 254 . 1 1 36 36 ASP H H 1 7.92 0.01 . 1 . . . . . . . . 4933 1 255 . 1 1 36 36 ASP HA H 1 3.03 0.01 . 1 . . . . . . . . 4933 1 256 . 1 1 36 36 ASP HB2 H 1 1.30 0.01 . 1 . . . . . . . . 4933 1 257 . 1 1 36 36 ASP HB3 H 1 1.18 0.01 . 1 . . . . . . . . 4933 1 258 . 1 1 36 36 ASP N N 15 124.75 0.05 . 1 . . . . . . . . 4933 1 259 . 1 1 37 37 THR H H 1 7.97 0.01 . 1 . . . . . . . . 4933 1 260 . 1 1 37 37 THR HA H 1 4.00 0.01 . 1 . . . . . . . . 4933 1 261 . 1 1 37 37 THR HB H 1 4.28 0.01 . 1 . . . . . . . . 4933 1 262 . 1 1 37 37 THR HG21 H 1 1.24 0.01 . 1 . . . . . . . . 4933 1 263 . 1 1 37 37 THR HG22 H 1 1.24 0.01 . 1 . . . . . . . . 4933 1 264 . 1 1 37 37 THR HG23 H 1 1.24 0.01 . 1 . . . . . . . . 4933 1 265 . 1 1 37 37 THR N N 15 109.2 0.05 . 1 . . . . . . . . 4933 1 266 . 1 1 38 38 VAL H H 1 7.66 0.01 . 1 . . . . . . . . 4933 1 267 . 1 1 38 38 VAL HA H 1 4.28 0.01 . 1 . . . . . . . . 4933 1 268 . 1 1 38 38 VAL HB H 1 1.79 0.01 . 1 . . . . . . . . 4933 1 269 . 1 1 38 38 VAL HG11 H 1 0.86 0.01 . 1 . . . . . . . . 4933 1 270 . 1 1 38 38 VAL HG12 H 1 0.86 0.01 . 1 . . . . . . . . 4933 1 271 . 1 1 38 38 VAL HG13 H 1 0.86 0.01 . 1 . . . . . . . . 4933 1 272 . 1 1 38 38 VAL HG21 H 1 0.79 0.01 . 1 . . . . . . . . 4933 1 273 . 1 1 38 38 VAL HG22 H 1 0.79 0.01 . 1 . . . . . . . . 4933 1 274 . 1 1 38 38 VAL HG23 H 1 0.79 0.01 . 1 . . . . . . . . 4933 1 275 . 1 1 38 38 VAL N N 15 121.0 0.05 . 1 . . . . . . . . 4933 1 276 . 1 1 39 39 ARG H H 1 8.71 0.01 . 1 . . . . . . . . 4933 1 277 . 1 1 39 39 ARG HA H 1 4.55 0.01 . 1 . . . . . . . . 4933 1 278 . 1 1 39 39 ARG HB2 H 1 1.86 0.01 . 2 . . . . . . . . 4933 1 279 . 1 1 39 39 ARG HB3 H 1 1.83 0.01 . 2 . . . . . . . . 4933 1 280 . 1 1 39 39 ARG HG2 H 1 1.72 0.01 . 1 . . . . . . . . 4933 1 281 . 1 1 39 39 ARG HG3 H 1 1.72 0.01 . 1 . . . . . . . . 4933 1 282 . 1 1 39 39 ARG HD2 H 1 3.28 0.01 . 1 . . . . . . . . 4933 1 283 . 1 1 39 39 ARG HD3 H 1 3.28 0.01 . 1 . . . . . . . . 4933 1 284 . 1 1 39 39 ARG HE H 1 7.27 0.01 . 1 . . . . . . . . 4933 1 285 . 1 1 39 39 ARG N N 15 126.7 0.05 . 1 . . . . . . . . 4933 1 286 . 1 1 40 40 GLY H H 1 8.94 0.01 . 1 . . . . . . . . 4933 1 287 . 1 1 40 40 GLY HA2 H 1 4.05 0.01 . 2 . . . . . . . . 4933 1 288 . 1 1 40 40 GLY HA3 H 1 3.66 0.01 . 2 . . . . . . . . 4933 1 289 . 1 1 40 40 GLY N N 15 109.45 0.05 . 1 . . . . . . . . 4933 1 290 . 1 1 41 41 VAL H H 1 7.08 0.01 . 1 . . . . . . . . 4933 1 291 . 1 1 41 41 VAL HA H 1 4.69 0.01 . 1 . . . . . . . . 4933 1 292 . 1 1 41 41 VAL HB H 1 2.06 0.01 . 1 . . . . . . . . 4933 1 293 . 1 1 41 41 VAL HG11 H 1 0.61 0.01 . 1 . . . . . . . . 4933 1 294 . 1 1 41 41 VAL HG12 H 1 0.61 0.01 . 1 . . . . . . . . 4933 1 295 . 1 1 41 41 VAL HG13 H 1 0.61 0.01 . 1 . . . . . . . . 4933 1 296 . 1 1 41 41 VAL HG21 H 1 0.76 0.01 . 1 . . . . . . . . 4933 1 297 . 1 1 41 41 VAL HG22 H 1 0.76 0.01 . 1 . . . . . . . . 4933 1 298 . 1 1 41 41 VAL HG23 H 1 0.76 0.01 . 1 . . . . . . . . 4933 1 299 . 1 1 41 41 VAL N N 15 113.0 0.05 . 1 . . . . . . . . 4933 1 300 . 1 1 42 42 PRO HA H 1 4.12 0.01 . 1 . . . . . . . . 4933 1 301 . 1 1 42 42 PRO HB2 H 1 2.24 0.01 . 1 . . . . . . . . 4933 1 302 . 1 1 42 42 PRO HB3 H 1 1.75 0.01 . 1 . . . . . . . . 4933 1 303 . 1 1 42 42 PRO HG2 H 1 2.24 0.01 . 2 . . . . . . . . 4933 1 304 . 1 1 42 42 PRO HG3 H 1 1.78 0.01 . 2 . . . . . . . . 4933 1 305 . 1 1 42 42 PRO HD2 H 1 3.69 0.01 . 1 . . . . . . . . 4933 1 306 . 1 1 42 42 PRO HD3 H 1 3.50 0.01 . 1 . . . . . . . . 4933 1 307 . 1 1 43 43 TRP H H 1 7.98 0.01 . 1 . . . . . . . . 4933 1 308 . 1 1 43 43 TRP HA H 1 4.88 0.01 . 1 . . . . . . . . 4933 1 309 . 1 1 43 43 TRP HB2 H 1 2.29 0.01 . 1 . . . . . . . . 4933 1 310 . 1 1 43 43 TRP HB3 H 1 2.78 0.01 . 1 . . . . . . . . 4933 1 311 . 1 1 43 43 TRP HD1 H 1 7.11 0.01 . 1 . . . . . . . . 4933 1 312 . 1 1 43 43 TRP HE1 H 1 9.75 0.01 . 1 . . . . . . . . 4933 1 313 . 1 1 43 43 TRP HE3 H 1 7.80 0.01 . 1 . . . . . . . . 4933 1 314 . 1 1 43 43 TRP HZ2 H 1 7.45 0.01 . 1 . . . . . . . . 4933 1 315 . 1 1 43 43 TRP HZ3 H 1 7.32 0.01 . 1 . . . . . . . . 4933 1 316 . 1 1 43 43 TRP HH2 H 1 7.32 0.01 . 1 . . . . . . . . 4933 1 317 . 1 1 43 43 TRP N N 15 123.15 0.05 . 1 . . . . . . . . 4933 1 318 . 1 1 43 43 TRP NE1 N 15 126.6 0.05 . 1 . . . . . . . . 4933 1 319 . 1 1 44 44 CYS H H 1 8.64 0.01 . 1 . . . . . . . . 4933 1 320 . 1 1 44 44 CYS HA H 1 5.96 0.01 . 1 . . . . . . . . 4933 1 321 . 1 1 44 44 CYS HB2 H 1 2.98 0.01 . 1 . . . . . . . . 4933 1 322 . 1 1 44 44 CYS HB3 H 1 2.64 0.01 . 1 . . . . . . . . 4933 1 323 . 1 1 44 44 CYS N N 15 116.45 0.05 . 1 . . . . . . . . 4933 1 324 . 1 1 45 45 PHE H H 1 9.37 0.01 . 1 . . . . . . . . 4933 1 325 . 1 1 45 45 PHE HA H 1 5.71 0.01 . 1 . . . . . . . . 4933 1 326 . 1 1 45 45 PHE HB2 H 1 2.58 0.01 . 1 . . . . . . . . 4933 1 327 . 1 1 45 45 PHE HB3 H 1 3.18 0.01 . 1 . . . . . . . . 4933 1 328 . 1 1 45 45 PHE HD1 H 1 7.29 0.01 . 3 . . . . . . . . 4933 1 329 . 1 1 45 45 PHE HD2 H 1 6.96 0.01 . 3 . . . . . . . . 4933 1 330 . 1 1 45 45 PHE HE1 H 1 7.28 0.01 . 3 . . . . . . . . 4933 1 331 . 1 1 45 45 PHE HE2 H 1 7.14 0.01 . 3 . . . . . . . . 4933 1 332 . 1 1 45 45 PHE HZ H 1 7.43 0.01 . 1 . . . . . . . . 4933 1 333 . 1 1 45 45 PHE N N 15 125.55 0.05 . 1 . . . . . . . . 4933 1 334 . 1 1 46 46 TYR H H 1 7.93 0.01 . 1 . . . . . . . . 4933 1 335 . 1 1 46 46 TYR HA H 1 4.78 0.01 . 1 . . . . . . . . 4933 1 336 . 1 1 46 46 TYR HB2 H 1 3.34 0.01 . 1 . . . . . . . . 4933 1 337 . 1 1 46 46 TYR HB3 H 1 2.89 0.01 . 1 . . . . . . . . 4933 1 338 . 1 1 46 46 TYR HD1 H 1 7.16 0.01 . 1 . . . . . . . . 4933 1 339 . 1 1 46 46 TYR HD2 H 1 7.16 0.01 . 1 . . . . . . . . 4933 1 340 . 1 1 46 46 TYR HE1 H 1 6.94 0.01 . 1 . . . . . . . . 4933 1 341 . 1 1 46 46 TYR HE2 H 1 6.94 0.01 . 1 . . . . . . . . 4933 1 342 . 1 1 46 46 TYR N N 15 120.0 0.05 . 1 . . . . . . . . 4933 1 343 . 1 1 47 47 PRO HA H 1 4.81 0.01 . 1 . . . . . . . . 4933 1 344 . 1 1 47 47 PRO HB2 H 1 2.13 0.01 . 1 . . . . . . . . 4933 1 345 . 1 1 47 47 PRO HB3 H 1 1.97 0.01 . 1 . . . . . . . . 4933 1 346 . 1 1 47 47 PRO HG2 H 1 1.92 0.01 . 1 . . . . . . . . 4933 1 347 . 1 1 47 47 PRO HG3 H 1 1.92 0.01 . 1 . . . . . . . . 4933 1 348 . 1 1 47 47 PRO HD2 H 1 3.87 0.01 . 2 . . . . . . . . 4933 1 349 . 1 1 47 47 PRO HD3 H 1 4.05 0.01 . 2 . . . . . . . . 4933 1 350 . 1 1 48 48 ASN H H 1 8.65 0.01 . 1 . . . . . . . . 4933 1 351 . 1 1 48 48 ASN HA H 1 4.94 0.01 . 1 . . . . . . . . 4933 1 352 . 1 1 48 48 ASN HB2 H 1 2.80 0.01 . 1 . . . . . . . . 4933 1 353 . 1 1 48 48 ASN HB3 H 1 2.80 0.01 . 1 . . . . . . . . 4933 1 354 . 1 1 48 48 ASN HD21 H 1 6.93 0.01 . 2 . . . . . . . . 4933 1 355 . 1 1 48 48 ASN HD22 H 1 7.49 0.01 . 2 . . . . . . . . 4933 1 356 . 1 1 48 48 ASN N N 15 116.8 0.05 . 1 . . . . . . . . 4933 1 357 . 1 1 48 48 ASN ND2 N 15 111.65 0.05 . 1 . . . . . . . . 4933 1 358 . 1 1 49 49 THR H H 1 8.08 0.01 . 1 . . . . . . . . 4933 1 359 . 1 1 49 49 THR HA H 1 4.54 0.01 . 1 . . . . . . . . 4933 1 360 . 1 1 49 49 THR HB H 1 4.19 0.01 . 1 . . . . . . . . 4933 1 361 . 1 1 49 49 THR HG21 H 1 1.20 0.01 . 1 . . . . . . . . 4933 1 362 . 1 1 49 49 THR HG22 H 1 1.20 0.01 . 1 . . . . . . . . 4933 1 363 . 1 1 49 49 THR HG23 H 1 1.20 0.01 . 1 . . . . . . . . 4933 1 364 . 1 1 49 49 THR N N 15 113.4 0.05 . 1 . . . . . . . . 4933 1 365 . 1 1 50 50 ILE H H 1 8.11 0.01 . 1 . . . . . . . . 4933 1 366 . 1 1 50 50 ILE HA H 1 4.28 0.01 . 1 . . . . . . . . 4933 1 367 . 1 1 50 50 ILE HB H 1 1.83 0.01 . 1 . . . . . . . . 4933 1 368 . 1 1 50 50 ILE HG12 H 1 1.39 0.01 . 1 . . . . . . . . 4933 1 369 . 1 1 50 50 ILE HG13 H 1 1.08 0.01 . 1 . . . . . . . . 4933 1 370 . 1 1 50 50 ILE HG21 H 1 0.85 0.01 . 1 . . . . . . . . 4933 1 371 . 1 1 50 50 ILE HG22 H 1 0.85 0.01 . 1 . . . . . . . . 4933 1 372 . 1 1 50 50 ILE HG23 H 1 0.85 0.01 . 1 . . . . . . . . 4933 1 373 . 1 1 50 50 ILE HD11 H 1 0.81 0.01 . 1 . . . . . . . . 4933 1 374 . 1 1 50 50 ILE HD12 H 1 0.81 0.01 . 1 . . . . . . . . 4933 1 375 . 1 1 50 50 ILE HD13 H 1 0.81 0.01 . 1 . . . . . . . . 4933 1 376 . 1 1 50 50 ILE N N 15 122.5 0.05 . 1 . . . . . . . . 4933 1 377 . 1 1 51 51 ASP H H 1 8.38 0.01 . 1 . . . . . . . . 4933 1 378 . 1 1 51 51 ASP HA H 1 4.69 0.01 . 1 . . . . . . . . 4933 1 379 . 1 1 51 51 ASP HB2 H 1 2.56 0.01 . 1 . . . . . . . . 4933 1 380 . 1 1 51 51 ASP HB3 H 1 2.68 0.01 . 1 . . . . . . . . 4933 1 381 . 1 1 51 51 ASP N N 15 124.5 0.05 . 1 . . . . . . . . 4933 1 382 . 1 1 52 52 VAL H H 1 8.06 0.01 . 1 . . . . . . . . 4933 1 383 . 1 1 52 52 VAL HA H 1 4.37 0.01 . 1 . . . . . . . . 4933 1 384 . 1 1 52 52 VAL HB H 1 2.02 0.01 . 1 . . . . . . . . 4933 1 385 . 1 1 52 52 VAL HG11 H 1 0.93 0.01 . 2 . . . . . . . . 4933 1 386 . 1 1 52 52 VAL HG12 H 1 0.93 0.01 . 2 . . . . . . . . 4933 1 387 . 1 1 52 52 VAL HG13 H 1 0.93 0.01 . 2 . . . . . . . . 4933 1 388 . 1 1 52 52 VAL HG21 H 1 0.88 0.01 . 2 . . . . . . . . 4933 1 389 . 1 1 52 52 VAL HG22 H 1 0.88 0.01 . 2 . . . . . . . . 4933 1 390 . 1 1 52 52 VAL HG23 H 1 0.88 0.01 . 2 . . . . . . . . 4933 1 391 . 1 1 52 52 VAL N N 15 122.0 0.05 . 1 . . . . . . . . 4933 1 392 . 1 1 53 53 PRO HA H 1 4.65 0.01 . 1 . . . . . . . . 4933 1 393 . 1 1 53 53 PRO HB2 H 1 2.32 0.01 . 2 . . . . . . . . 4933 1 394 . 1 1 53 53 PRO HB3 H 1 1.88 0.01 . 2 . . . . . . . . 4933 1 395 . 1 1 53 53 PRO HG2 H 1 2.03 0.01 . 2 . . . . . . . . 4933 1 396 . 1 1 53 53 PRO HG3 H 1 1.96 0.01 . 2 . . . . . . . . 4933 1 397 . 1 1 53 53 PRO HD2 H 1 3.85 0.01 . 2 . . . . . . . . 4933 1 398 . 1 1 53 53 PRO HD3 H 1 3.65 0.01 . 2 . . . . . . . . 4933 1 399 . 1 1 54 54 PRO HG2 H 1 2.03 0.01 . 1 . . . . . . . . 4933 1 400 . 1 1 54 54 PRO HG3 H 1 2.03 0.01 . 1 . . . . . . . . 4933 1 401 . 1 1 54 54 PRO HD2 H 1 3.65 0.01 . 2 . . . . . . . . 4933 1 402 . 1 1 54 54 PRO HD3 H 1 3.80 0.01 . 2 . . . . . . . . 4933 1 403 . 1 1 55 55 GLU H H 1 8.47 0.01 . 1 . . . . . . . . 4933 1 404 . 1 1 55 55 GLU HA H 1 4.27 0.01 . 1 . . . . . . . . 4933 1 405 . 1 1 55 55 GLU HB2 H 1 2.04 0.01 . 2 . . . . . . . . 4933 1 406 . 1 1 55 55 GLU HB3 H 1 1.93 0.01 . 2 . . . . . . . . 4933 1 407 . 1 1 55 55 GLU HG2 H 1 2.30 0.01 . 1 . . . . . . . . 4933 1 408 . 1 1 55 55 GLU HG3 H 1 2.30 0.01 . 1 . . . . . . . . 4933 1 409 . 1 1 55 55 GLU N N 15 120.65 0.05 . 1 . . . . . . . . 4933 1 410 . 1 1 56 56 GLU H H 1 8.43 0.01 . 1 . . . . . . . . 4933 1 411 . 1 1 56 56 GLU HA H 1 4.24 0.01 . 1 . . . . . . . . 4933 1 412 . 1 1 56 56 GLU HB2 H 1 2.05 0.01 . 2 . . . . . . . . 4933 1 413 . 1 1 56 56 GLU HB3 H 1 1.91 0.01 . 2 . . . . . . . . 4933 1 414 . 1 1 56 56 GLU HG2 H 1 2.28 0.01 . 1 . . . . . . . . 4933 1 415 . 1 1 56 56 GLU HG3 H 1 2.28 0.01 . 1 . . . . . . . . 4933 1 416 . 1 1 56 56 GLU N N 15 121.75 0.05 . 1 . . . . . . . . 4933 1 417 . 1 1 57 57 GLU H H 1 8.43 0.01 . 1 . . . . . . . . 4933 1 418 . 1 1 57 57 GLU HA H 1 4.31 0.01 . 1 . . . . . . . . 4933 1 419 . 1 1 57 57 GLU HB2 H 1 2.05 0.01 . 2 . . . . . . . . 4933 1 420 . 1 1 57 57 GLU HB3 H 1 1.91 0.01 . 2 . . . . . . . . 4933 1 421 . 1 1 57 57 GLU HG2 H 1 2.28 0.01 . 1 . . . . . . . . 4933 1 422 . 1 1 57 57 GLU HG3 H 1 2.28 0.01 . 1 . . . . . . . . 4933 1 423 . 1 1 57 57 GLU N N 15 122.25 0.05 . 1 . . . . . . . . 4933 1 424 . 1 1 58 58 SER H H 1 8.35 0.01 . 1 . . . . . . . . 4933 1 425 . 1 1 58 58 SER HA H 1 4.43 0.01 . 1 . . . . . . . . 4933 1 426 . 1 1 58 58 SER HB2 H 1 3.80 0.01 . 1 . . . . . . . . 4933 1 427 . 1 1 58 58 SER HB3 H 1 3.80 0.01 . 1 . . . . . . . . 4933 1 428 . 1 1 58 58 SER N N 15 117.0 0.05 . 1 . . . . . . . . 4933 1 429 . 1 1 59 59 GLU H H 1 8.39 0.01 . 1 . . . . . . . . 4933 1 430 . 1 1 59 59 GLU HA H 1 4.20 0.01 . 1 . . . . . . . . 4933 1 431 . 1 1 59 59 GLU HB2 H 1 2.06 0.01 . 2 . . . . . . . . 4933 1 432 . 1 1 59 59 GLU HB3 H 1 1.85 0.01 . 2 . . . . . . . . 4933 1 433 . 1 1 59 59 GLU HG2 H 1 2.33 0.01 . 1 . . . . . . . . 4933 1 434 . 1 1 59 59 GLU HG3 H 1 2.33 0.01 . 1 . . . . . . . . 4933 1 435 . 1 1 59 59 GLU N N 15 123.0 0.05 . 1 . . . . . . . . 4933 1 436 . 1 1 60 60 PHE H H 1 7.68 0.01 . 1 . . . . . . . . 4933 1 437 . 1 1 60 60 PHE HA H 1 4.44 0.01 . 1 . . . . . . . . 4933 1 438 . 1 1 60 60 PHE HB2 H 1 3.16 0.01 . 2 . . . . . . . . 4933 1 439 . 1 1 60 60 PHE HB3 H 1 2.93 0.01 . 2 . . . . . . . . 4933 1 440 . 1 1 60 60 PHE HD1 H 1 7.22 0.01 . 1 . . . . . . . . 4933 1 441 . 1 1 60 60 PHE HD2 H 1 7.22 0.01 . 1 . . . . . . . . 4933 1 442 . 1 1 60 60 PHE HE1 H 1 7.32 0.01 . 1 . . . . . . . . 4933 1 443 . 1 1 60 60 PHE HE2 H 1 7.32 0.01 . 1 . . . . . . . . 4933 1 444 . 1 1 60 60 PHE HZ H 1 7.28 0.01 . 1 . . . . . . . . 4933 1 445 . 1 1 60 60 PHE N N 15 124.7 0.05 . 1 . . . . . . . . 4933 1 stop_ save_