data_15037 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15037 _Entry.Title ; Solution structure of human beta-microseminoprotein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-17 _Entry.Accession_date 2006-11-17 _Entry.Last_release_date 2007-01-10 _Entry.Original_release_date 2007-01-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Houman Ghasriani . . . 15037 2 Kaare Teilum . . . 15037 3 Ylva Johnsson . . . 15037 4 Per Fernlund . . . 15037 5 'Torbj rn' Drakenberg . . . 15037 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15037 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 467 15037 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 . . 2007-01-10 2006-11-17 original author . 15037 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2IZ3 'BMRB Entry Tracking System' 15037 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15037 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16930619 _Citation.Full_citation . _Citation.Title 'Solution structure of human and porcine beta-microseminoprotein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 362 _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 502 _Citation.Page_last 515 _Citation.Year 2006 _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 Houman Ghasriani . . . 15037 1 2 Kaare Teilum . . . 15037 1 3 Ylva Johnsson . . . 15037 1 4 Per Fernlund . . . 15037 1 5 Torbjorn Drakenberg . . . 15037 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15037 _Assembly.ID 1 _Assembly.Name 'human beta-microseminoprotein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $hMSP A . yes native no no . . . 15037 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 disulfide 1 . 1 entity 1 CYS 2 2 SG . 1 entity 1 CYS 50 50 SG . entity 2 cys SG . entity 50 cys SG 15037 1 2 disulfide 1 . 1 entity 1 CYS 18 18 SG . 1 entity 1 CYS 42 42 SG . entity 18 cys SG . entity 42 cys SG 15037 1 3 disulfide 1 . 1 entity 1 CYS 37 37 SG . 1 entity 1 CYS 73 73 SG . entity 37 cys SG . entity 73 cys SG 15037 1 4 disulfide 1 . 1 entity 1 CYS 40 40 SG . 1 entity 1 CYS 49 49 SG . entity 40 cys SG . entity 49 cys SG 15037 1 5 disulfide 1 . 1 entity 1 CYS 64 64 SG . 1 entity 1 CYS 87 87 SG . entity 64 cys SG . entity 87 cys SG 15037 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 yes PDB 2iz3 . . 'solution NMR' . . . 15037 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID Unknown 15037 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hMSP _Entity.Sf_category entity _Entity.Sf_framecode hMSP _Entity.Entry_ID 15037 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hMSP _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 ; SCYFIPNEGVPGDSTRKCMD LKGNKHPINSEWQTDNCETC TCYETEISCCILVSTPVGYD KDNCQRIFKKEDCKYIVVEK KDPKKTCSVSEWII ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 15036 . hMSP . . . . . 100.00 97 98.94 98.94 1.63e-59 . . . . 15037 1 2 no PDB 2IZ3 . "Solution Structure Of Human And Porcine Beta- Microseminoprotein" . . . . . 100.00 97 98.94 98.94 1.63e-59 . . . . 15037 1 3 no PDB 3IX0 . "Crystal Structure Of Human Seminal Plasma Protein Psp94" . . . . . 100.00 94 98.94 98.94 1.47e-59 . . . . 15037 1 4 no DBJ BAG35044 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 114 97.87 98.94 4.89e-60 . . . . 15037 1 5 no EMBL CAA41002 . "prostatic secretory protein (PSP-94) [Homo sapiens]" . . . . . 100.00 114 98.94 98.94 3.41e-60 . . . . 15037 1 6 no EMBL CAB39325 . "beta-microseminoprotein [Homo sapiens]" . . . . . 55.32 71 98.08 98.08 8.02e-29 . . . . 15037 1 7 no EMBL CAG33296 . "MSMB [Homo sapiens]" . . . . . 100.00 114 98.94 98.94 3.41e-60 . . . . 15037 1 8 no GB AAA36635 . "seminal plasma protein precursor [Homo sapiens]" . . . . . 100.00 114 98.94 98.94 3.41e-60 . . . . 15037 1 9 no GB AAA59871 . "beta-microseminoprotein [Homo sapiens]" . . . . . 100.00 114 98.94 98.94 3.41e-60 . . . . 15037 1 10 no GB AAB29732 . "prostate secretory protein [Homo sapiens]" . . . . . 100.00 114 98.94 98.94 3.41e-60 . . . . 15037 1 11 no GB AAB37355 . "prostatic secretory protein 94 [Homo sapiens]" . . . . . 100.00 114 98.94 98.94 3.41e-60 . . . . 15037 1 12 no GB AAH05257 . "Microseminoprotein, beta- [Homo sapiens]" . . . . . 100.00 114 98.94 98.94 3.41e-60 . . . . 15037 1 13 no REF NP_002434 . "beta-microseminoprotein isoform a precursor [Homo sapiens]" . . . . . 100.00 114 98.94 98.94 3.41e-60 . . . . 15037 1 14 no REF XP_003811861 . "PREDICTED: beta-microseminoprotein isoform X1 [Pan paniscus]" . . . . . 100.00 114 97.87 98.94 1.11e-59 . . . . 15037 1 15 no REF XP_004049458 . "PREDICTED: beta-microseminoprotein [Gorilla gorilla gorilla]" . . . . . 100.00 114 97.87 98.94 1.83e-59 . . . . 15037 1 16 no REF XP_009456684 . "PREDICTED: beta-microseminoprotein [Pan troglodytes]" . . . . . 100.00 114 97.87 98.94 1.11e-59 . . . . 15037 1 17 no SP P08118 . "RecName: Full=Beta-microseminoprotein; AltName: Full=Immunoglobulin-binding factor; Short=IGBF; AltName: Full=PN44; AltName: Fu" . . . . . 100.00 114 98.94 98.94 3.41e-60 . . . . 15037 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID Unknown 15037 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 15037 1 2 . CYS . 15037 1 3 . TYR . 15037 1 4 . PHE . 15037 1 5 . ILE . 15037 1 6 . PRO . 15037 1 7 . ASN . 15037 1 8 . GLU . 15037 1 9 . GLY . 15037 1 10 . VAL . 15037 1 11 . PRO . 15037 1 12 . GLY . 15037 1 13 . ASP . 15037 1 14 . SER . 15037 1 15 . THR . 15037 1 16 . ARG . 15037 1 17 . LYS . 15037 1 18 . CYS . 15037 1 19 . MET . 15037 1 20 . ASP . 15037 1 21 . LEU . 15037 1 22 . LYS . 15037 1 23 . GLY . 15037 1 24 . ASN . 15037 1 25 . LYS . 15037 1 26 . HIS . 15037 1 27 . PRO . 15037 1 28 . ILE . 15037 1 29 . ASN . 15037 1 30 . SER . 15037 1 31 . GLU . 15037 1 32 . TRP . 15037 1 33 . GLN . 15037 1 34 . THR . 15037 1 35 . ASP . 15037 1 36 . ASN . 15037 1 37 . CYS . 15037 1 38 . GLU . 15037 1 39 . THR . 15037 1 40 . CYS . 15037 1 41 . THR . 15037 1 42 . CYS . 15037 1 43 . TYR . 15037 1 44 . GLU . 15037 1 45 . THR . 15037 1 46 . GLU . 15037 1 47 . ILE . 15037 1 48 . SER . 15037 1 49 . CYS . 15037 1 50 . CYS . 15037 1 51 . ILE . 15037 1 52 . LEU . 15037 1 53 . VAL . 15037 1 54 . SER . 15037 1 55 . THR . 15037 1 56 . PRO . 15037 1 57 . VAL . 15037 1 58 . GLY . 15037 1 59 . TYR . 15037 1 60 . ASP . 15037 1 61 . LYS . 15037 1 62 . ASP . 15037 1 63 . ASN . 15037 1 64 . CYS . 15037 1 65 . GLN . 15037 1 66 . ARG . 15037 1 67 . ILE . 15037 1 68 . PHE . 15037 1 69 . LYS . 15037 1 70 . LYS . 15037 1 71 . GLU . 15037 1 72 . ASP . 15037 1 73 . CYS . 15037 1 74 . LYS . 15037 1 75 . TYR . 15037 1 76 . ILE . 15037 1 77 . VAL . 15037 1 78 . VAL . 15037 1 79 . GLU . 15037 1 80 . LYS . 15037 1 81 . LYS . 15037 1 82 . ASP . 15037 1 83 . PRO . 15037 1 84 . LYS . 15037 1 85 . LYS . 15037 1 86 . THR . 15037 1 87 . CYS . 15037 1 88 . SER . 15037 1 89 . VAL . 15037 1 90 . SER . 15037 1 91 . GLU . 15037 1 92 . TRP . 15037 1 93 . ILE . 15037 1 94 . ILE . 15037 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 15037 1 . CYS 2 2 15037 1 . TYR 3 3 15037 1 . PHE 4 4 15037 1 . ILE 5 5 15037 1 . PRO 6 6 15037 1 . ASN 7 7 15037 1 . GLU 8 8 15037 1 . GLY 9 9 15037 1 . VAL 10 10 15037 1 . PRO 11 11 15037 1 . GLY 12 12 15037 1 . ASP 13 13 15037 1 . SER 14 14 15037 1 . THR 15 15 15037 1 . ARG 16 16 15037 1 . LYS 17 17 15037 1 . CYS 18 18 15037 1 . MET 19 19 15037 1 . ASP 20 20 15037 1 . LEU 21 21 15037 1 . LYS 22 22 15037 1 . GLY 23 23 15037 1 . ASN 24 24 15037 1 . LYS 25 25 15037 1 . HIS 26 26 15037 1 . PRO 27 27 15037 1 . ILE 28 28 15037 1 . ASN 29 29 15037 1 . SER 30 30 15037 1 . GLU 31 31 15037 1 . TRP 32 32 15037 1 . GLN 33 33 15037 1 . THR 34 34 15037 1 . ASP 35 35 15037 1 . ASN 36 36 15037 1 . CYS 37 37 15037 1 . GLU 38 38 15037 1 . THR 39 39 15037 1 . CYS 40 40 15037 1 . THR 41 41 15037 1 . CYS 42 42 15037 1 . TYR 43 43 15037 1 . GLU 44 44 15037 1 . THR 45 45 15037 1 . GLU 46 46 15037 1 . ILE 47 47 15037 1 . SER 48 48 15037 1 . CYS 49 49 15037 1 . CYS 50 50 15037 1 . ILE 51 51 15037 1 . LEU 52 52 15037 1 . VAL 53 53 15037 1 . SER 54 54 15037 1 . THR 55 55 15037 1 . PRO 56 56 15037 1 . VAL 57 57 15037 1 . GLY 58 58 15037 1 . TYR 59 59 15037 1 . ASP 60 60 15037 1 . LYS 61 61 15037 1 . ASP 62 62 15037 1 . ASN 63 63 15037 1 . CYS 64 64 15037 1 . GLN 65 65 15037 1 . ARG 66 66 15037 1 . ILE 67 67 15037 1 . PHE 68 68 15037 1 . LYS 69 69 15037 1 . LYS 70 70 15037 1 . GLU 71 71 15037 1 . ASP 72 72 15037 1 . CYS 73 73 15037 1 . LYS 74 74 15037 1 . TYR 75 75 15037 1 . ILE 76 76 15037 1 . VAL 77 77 15037 1 . VAL 78 78 15037 1 . GLU 79 79 15037 1 . LYS 80 80 15037 1 . LYS 81 81 15037 1 . ASP 82 82 15037 1 . PRO 83 83 15037 1 . LYS 84 84 15037 1 . LYS 85 85 15037 1 . THR 86 86 15037 1 . CYS 87 87 15037 1 . SER 88 88 15037 1 . VAL 89 89 15037 1 . SER 90 90 15037 1 . GLU 91 91 15037 1 . TRP 92 92 15037 1 . ILE 93 93 15037 1 . ILE 94 94 15037 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 15037 _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 $hMSP . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15037 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 15037 _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 $hMSP . 'purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15037 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15037 _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 beta-microseminoprotein 'natural abundance' . . 1 $hMSP . . . 3.4 4.2 mM . . . . 15037 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15037 _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 'ionic strength' 1 . mM 15037 1 pH 6.0 . pH 15037 1 pressure 1 . atm 15037 1 temperature 310 . K 15037 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15037 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15037 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15037 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15037 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15037 _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 Varian INOVA . 600 . . . 15037 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 15037 _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 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15037 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15037 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15037 _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 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 15037 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15037 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 15037 1 2 '2D 1H-1H NOESY' . . . 15037 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 15037 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 3 3 TYR H H 1 8.803 0.02 . 1 . . . . 3 TYR H . 15037 1 2 . 1 1 3 3 TYR HA H 1 4.832 0.02 . 1 . . . . 3 TYR HA . 15037 1 3 . 1 1 3 3 TYR HB2 H 1 3.059 0.02 . 2 . . . . 3 TYR HB2 . 15037 1 4 . 1 1 3 3 TYR HB3 H 1 2.883 0.02 . 2 . . . . 3 TYR HB3 . 15037 1 5 . 1 1 4 4 PHE H H 1 8.443 0.02 . 1 . . . . 4 PHE H . 15037 1 6 . 1 1 4 4 PHE HA H 1 5.758 0.02 . 1 . . . . 4 PHE HA . 15037 1 7 . 1 1 4 4 PHE HB2 H 1 2.862 0.02 . 2 . . . . 4 PHE HB2 . 15037 1 8 . 1 1 4 4 PHE HB3 H 1 2.987 0.02 . 2 . . . . 4 PHE HB3 . 15037 1 9 . 1 1 5 5 ILE H H 1 9.200 0.02 . 1 . . . . 5 ILE H . 15037 1 10 . 1 1 5 5 ILE HA H 1 4.838 0.02 . 1 . . . . 5 ILE HA . 15037 1 11 . 1 1 5 5 ILE HB H 1 2.001 0.02 . 1 . . . . 5 ILE HB . 15037 1 12 . 1 1 5 5 ILE HG12 H 1 1.249 0.02 . 2 . . . . 5 ILE HG12 . 15037 1 13 . 1 1 5 5 ILE HG13 H 1 1.633 0.02 . 2 . . . . 5 ILE HG13 . 15037 1 14 . 1 1 5 5 ILE HG21 H 1 1.151 0.02 . 1 . . . . 5 ILE HG2 . 15037 1 15 . 1 1 5 5 ILE HG22 H 1 1.151 0.02 . 1 . . . . 5 ILE HG2 . 15037 1 16 . 1 1 5 5 ILE HG23 H 1 1.151 0.02 . 1 . . . . 5 ILE HG2 . 15037 1 17 . 1 1 5 5 ILE HD11 H 1 1.062 0.02 . 1 . . . . 5 ILE HD1 . 15037 1 18 . 1 1 5 5 ILE HD12 H 1 1.062 0.02 . 1 . . . . 5 ILE HD1 . 15037 1 19 . 1 1 5 5 ILE HD13 H 1 1.062 0.02 . 1 . . . . 5 ILE HD1 . 15037 1 20 . 1 1 7 7 ASN H H 1 8.021 0.02 . 1 . . . . 7 ASN H . 15037 1 21 . 1 1 7 7 ASN HA H 1 4.977 0.02 . 1 . . . . 7 ASN HA . 15037 1 22 . 1 1 7 7 ASN HB2 H 1 2.769 0.02 . 2 . . . . 7 ASN HB2 . 15037 1 23 . 1 1 7 7 ASN HB3 H 1 2.453 0.02 . 2 . . . . 7 ASN HB3 . 15037 1 24 . 1 1 8 8 GLU H H 1 8.581 0.02 . 1 . . . . 8 GLU H . 15037 1 25 . 1 1 8 8 GLU HA H 1 4.440 0.02 . 1 . . . . 8 GLU HA . 15037 1 26 . 1 1 8 8 GLU HB2 H 1 2.306 0.02 . 2 . . . . 8 GLU HB2 . 15037 1 27 . 1 1 8 8 GLU HB3 H 1 1.992 0.02 . 2 . . . . 8 GLU HB3 . 15037 1 28 . 1 1 9 9 GLY H H 1 8.329 0.02 . 1 . . . . 9 GLY H . 15037 1 29 . 1 1 9 9 GLY HA2 H 1 4.053 0.02 . 2 . . . . 9 GLY HA2 . 15037 1 30 . 1 1 9 9 GLY HA3 H 1 4.018 0.02 . 2 . . . . 9 GLY HA3 . 15037 1 31 . 1 1 10 10 VAL H H 1 8.259 0.02 . 1 . . . . 10 VAL H . 15037 1 32 . 1 1 10 10 VAL HA H 1 4.490 0.02 . 1 . . . . 10 VAL HA . 15037 1 33 . 1 1 10 10 VAL HB H 1 2.119 0.02 . 1 . . . . 10 VAL HB . 15037 1 34 . 1 1 10 10 VAL HG11 H 1 0.959 0.02 . 2 . . . . 10 VAL HG1 . 15037 1 35 . 1 1 10 10 VAL HG12 H 1 0.959 0.02 . 2 . . . . 10 VAL HG1 . 15037 1 36 . 1 1 10 10 VAL HG13 H 1 0.959 0.02 . 2 . . . . 10 VAL HG1 . 15037 1 37 . 1 1 10 10 VAL HG21 H 1 0.918 0.02 . 2 . . . . 10 VAL HG2 . 15037 1 38 . 1 1 10 10 VAL HG22 H 1 0.918 0.02 . 2 . . . . 10 VAL HG2 . 15037 1 39 . 1 1 10 10 VAL HG23 H 1 0.918 0.02 . 2 . . . . 10 VAL HG2 . 15037 1 40 . 1 1 11 11 PRO HA H 1 4.365 0.02 . 1 . . . . 11 PRO HA . 15037 1 41 . 1 1 11 11 PRO HB2 H 1 2.297 0.02 . 2 . . . . 11 PRO HB2 . 15037 1 42 . 1 1 11 11 PRO HG2 H 1 1.989 0.02 . 2 . . . . 11 PRO HG2 . 15037 1 43 . 1 1 11 11 PRO HG3 H 1 2.101 0.02 . 2 . . . . 11 PRO HG3 . 15037 1 44 . 1 1 11 11 PRO HD2 H 1 3.929 0.02 . 2 . . . . 11 PRO HD2 . 15037 1 45 . 1 1 11 11 PRO HD3 H 1 3.684 0.02 . 2 . . . . 11 PRO HD3 . 15037 1 46 . 1 1 12 12 GLY H H 1 8.610 0.02 . 1 . . . . 12 GLY H . 15037 1 47 . 1 1 12 12 GLY HA2 H 1 4.098 0.02 . 2 . . . . 12 GLY HA2 . 15037 1 48 . 1 1 12 12 GLY HA3 H 1 3.808 0.02 . 2 . . . . 12 GLY HA3 . 15037 1 49 . 1 1 13 13 ASP H H 1 7.868 0.02 . 1 . . . . 13 ASP H . 15037 1 50 . 1 1 13 13 ASP HA H 1 4.772 0.02 . 1 . . . . 13 ASP HA . 15037 1 51 . 1 1 13 13 ASP HB2 H 1 2.829 0.02 . 2 . . . . 13 ASP HB2 . 15037 1 52 . 1 1 13 13 ASP HB3 H 1 2.642 0.02 . 1 . . . . 13 ASP HB3 . 15037 1 53 . 1 1 14 14 SER H H 1 8.547 0.02 . 1 . . . . 14 SER H . 15037 1 54 . 1 1 14 14 SER HA H 1 4.405 0.02 . 1 . . . . 14 SER HA . 15037 1 55 . 1 1 14 14 SER HB2 H 1 4.011 0.02 . 2 . . . . 14 SER HB2 . 15037 1 56 . 1 1 14 14 SER HB3 H 1 3.922 0.02 . 2 . . . . 14 SER HB3 . 15037 1 57 . 1 1 15 15 THR H H 1 8.241 0.02 . 1 . . . . 15 THR H . 15037 1 58 . 1 1 15 15 THR HA H 1 4.342 0.02 . 1 . . . . 15 THR HA . 15037 1 59 . 1 1 15 15 THR HB H 1 4.219 0.02 . 1 . . . . 15 THR HB . 15037 1 60 . 1 1 15 15 THR HG21 H 1 1.229 0.02 . 1 . . . . 15 THR HG2 . 15037 1 61 . 1 1 15 15 THR HG22 H 1 1.229 0.02 . 1 . . . . 15 THR HG2 . 15037 1 62 . 1 1 15 15 THR HG23 H 1 1.229 0.02 . 1 . . . . 15 THR HG2 . 15037 1 63 . 1 1 16 16 ARG H H 1 8.206 0.02 . 1 . . . . 16 ARG H . 15037 1 64 . 1 1 16 16 ARG HA H 1 4.292 0.02 . 1 . . . . 16 ARG HA . 15037 1 65 . 1 1 16 16 ARG HB2 H 1 1.844 0.02 . 2 . . . . 16 ARG HB2 . 15037 1 66 . 1 1 17 17 LYS H H 1 7.845 0.02 . 1 . . . . 17 LYS H . 15037 1 67 . 1 1 17 17 LYS HA H 1 4.593 0.02 . 1 . . . . 17 LYS HA . 15037 1 68 . 1 1 17 17 LYS HB2 H 1 1.586 0.02 . 2 . . . . 17 LYS HB2 . 15037 1 69 . 1 1 17 17 LYS HB3 H 1 1.725 0.02 . 2 . . . . 17 LYS HB3 . 15037 1 70 . 1 1 17 17 LYS HG2 H 1 1.410 0.02 . 2 . . . . 17 LYS HG2 . 15037 1 71 . 1 1 17 17 LYS HD2 H 1 1.290 0.02 . 2 . . . . 17 LYS HD2 . 15037 1 72 . 1 1 18 18 CYS H H 1 8.829 0.02 . 1 . . . . 18 CYS H . 15037 1 73 . 1 1 18 18 CYS HA H 1 4.820 0.02 . 1 . . . . 18 CYS HA . 15037 1 74 . 1 1 18 18 CYS HB2 H 1 3.220 0.02 . 2 . . . . 18 CYS HB2 . 15037 1 75 . 1 1 18 18 CYS HB3 H 1 2.808 0.02 . 2 . . . . 18 CYS HB3 . 15037 1 76 . 1 1 19 19 MET H H 1 8.822 0.02 . 1 . . . . 19 MET H . 15037 1 77 . 1 1 19 19 MET HA H 1 5.035 0.02 . 1 . . . . 19 MET HA . 15037 1 78 . 1 1 19 19 MET HB2 H 1 2.547 0.02 . 2 . . . . 19 MET HB2 . 15037 1 79 . 1 1 19 19 MET HB3 H 1 2.234 0.02 . 2 . . . . 19 MET HB3 . 15037 1 80 . 1 1 19 19 MET HG2 H 1 1.777 0.02 . 2 . . . . 19 MET HG2 . 15037 1 81 . 1 1 19 19 MET HG3 H 1 2.051 0.02 . 2 . . . . 19 MET HG3 . 15037 1 82 . 1 1 20 20 ASP H H 1 8.331 0.02 . 1 . . . . 20 ASP H . 15037 1 83 . 1 1 20 20 ASP HA H 1 4.737 0.02 . 1 . . . . 20 ASP HA . 15037 1 84 . 1 1 20 20 ASP HB2 H 1 3.654 0.02 . 2 . . . . 20 ASP HB2 . 15037 1 85 . 1 1 20 20 ASP HB3 H 1 2.122 0.02 . 2 . . . . 20 ASP HB3 . 15037 1 86 . 1 1 21 21 LEU H H 1 8.167 0.02 . 1 . . . . 21 LEU H . 15037 1 87 . 1 1 21 21 LEU HA H 1 4.249 0.02 . 1 . . . . 21 LEU HA . 15037 1 88 . 1 1 21 21 LEU HB2 H 1 2.024 0.02 . 2 . . . . 21 LEU HB2 . 15037 1 89 . 1 1 21 21 LEU HB3 H 1 1.757 0.02 . 2 . . . . 21 LEU HB3 . 15037 1 90 . 1 1 22 22 LYS H H 1 8.166 0.02 . 1 . . . . 22 LYS H . 15037 1 91 . 1 1 22 22 LYS HA H 1 4.407 0.02 . 1 . . . . 22 LYS HA . 15037 1 92 . 1 1 22 22 LYS HB2 H 1 1.760 0.02 . 2 . . . . 22 LYS HB2 . 15037 1 93 . 1 1 22 22 LYS HB3 H 1 1.688 0.02 . 2 . . . . 22 LYS HB3 . 15037 1 94 . 1 1 23 23 GLY H H 1 7.930 0.02 . 1 . . . . 23 GLY H . 15037 1 95 . 1 1 23 23 GLY HA2 H 1 4.183 0.02 . 2 . . . . 23 GLY HA2 . 15037 1 96 . 1 1 23 23 GLY HA3 H 1 3.637 0.02 . 2 . . . . 23 GLY HA3 . 15037 1 97 . 1 1 24 24 ASN H H 1 8.230 0.02 . 1 . . . . 24 ASN H . 15037 1 98 . 1 1 24 24 ASN HA H 1 4.580 0.02 . 1 . . . . 24 ASN HA . 15037 1 99 . 1 1 24 24 ASN HB2 H 1 2.958 0.02 . 2 . . . . 24 ASN HB2 . 15037 1 100 . 1 1 25 25 LYS H H 1 8.234 0.02 . 1 . . . . 25 LYS H . 15037 1 101 . 1 1 25 25 LYS HA H 1 4.798 0.02 . 1 . . . . 25 LYS HA . 15037 1 102 . 1 1 25 25 LYS HB2 H 1 1.549 0.02 . 2 . . . . 25 HIS HB2 . 15037 1 103 . 1 1 25 25 LYS HB3 H 1 1.374 0.02 . 2 . . . . 25 HIS HB3 . 15037 1 104 . 1 1 26 26 HIS H H 1 8.332 0.02 . 1 . . . . 26 HIS H . 15037 1 105 . 1 1 26 26 HIS HA H 1 4.568 0.02 . 1 . . . . 26 HIS HA . 15037 1 106 . 1 1 28 28 ILE H H 1 8.443 0.02 . 1 . . . . 28 ILE H . 15037 1 107 . 1 1 28 28 ILE HA H 1 3.722 0.02 . 1 . . . . 28 ILE HA . 15037 1 108 . 1 1 28 28 ILE HB H 1 1.787 0.02 . 1 . . . . 28 ILE HB . 15037 1 109 . 1 1 28 28 ILE HG12 H 1 1.493 0.02 . 2 . . . . 28 ILE HG12 . 15037 1 110 . 1 1 28 28 ILE HG13 H 1 1.293 0.02 . 2 . . . . 28 ILE HG13 . 15037 1 111 . 1 1 28 28 ILE HG21 H 1 0.980 0.02 . 1 . . . . 28 ILE HG2 . 15037 1 112 . 1 1 28 28 ILE HG22 H 1 0.980 0.02 . 1 . . . . 28 ILE HG2 . 15037 1 113 . 1 1 28 28 ILE HG23 H 1 0.980 0.02 . 1 . . . . 28 ILE HG2 . 15037 1 114 . 1 1 28 28 ILE HD11 H 1 0.873 0.02 . 1 . . . . 28 ILE HD1 . 15037 1 115 . 1 1 28 28 ILE HD12 H 1 0.873 0.02 . 1 . . . . 28 ILE HD1 . 15037 1 116 . 1 1 28 28 ILE HD13 H 1 0.873 0.02 . 1 . . . . 28 ILE HD1 . 15037 1 117 . 1 1 29 29 ASN H H 1 9.073 0.02 . 1 . . . . 29 ASN H . 15037 1 118 . 1 1 29 29 ASN HA H 1 4.269 0.02 . 1 . . . . 29 ASN HA . 15037 1 119 . 1 1 29 29 ASN HB2 H 1 3.260 0.02 . 2 . . . . 29 ASN HB2 . 15037 1 120 . 1 1 29 29 ASN HB3 H 1 3.059 0.02 . 2 . . . . 29 ASN HB3 . 15037 1 121 . 1 1 30 30 SER H H 1 7.900 0.02 . 1 . . . . 30 SER H . 15037 1 122 . 1 1 30 30 SER HA H 1 4.657 0.02 . 1 . . . . 30 SER HA . 15037 1 123 . 1 1 30 30 SER HB2 H 1 4.182 0.02 . 2 . . . . 30 SER HB2 . 15037 1 124 . 1 1 30 30 SER HB3 H 1 4.024 0.02 . 2 . . . . 30 SER HB3 . 15037 1 125 . 1 1 31 31 GLU H H 1 8.244 0.02 . 1 . . . . 31 GLU H . 15037 1 126 . 1 1 31 31 GLU HA H 1 5.680 0.02 . 1 . . . . 31 GLU HA . 15037 1 127 . 1 1 31 31 GLU HB2 H 1 1.806 0.02 . 2 . . . . 31 GLU HB2 . 15037 1 128 . 1 1 31 31 GLU HG2 H 1 2.156 0.02 . 2 . . . . 31 GLU HG2 . 15037 1 129 . 1 1 31 31 GLU HG3 H 1 2.065 0.02 . 2 . . . . 31 GLU HG3 . 15037 1 130 . 1 1 32 32 TRP H H 1 8.822 0.02 . 1 . . . . 32 TRP H . 15037 1 131 . 1 1 32 32 TRP HA H 1 4.989 0.02 . 1 . . . . 32 TRP HA . 15037 1 132 . 1 1 32 32 TRP HB2 H 1 3.227 0.02 . 2 . . . . 32 TRP HB2 . 15037 1 133 . 1 1 32 32 TRP HB3 H 1 2.810 0.02 . 2 . . . . 32 TRP HB3 . 15037 1 134 . 1 1 32 32 TRP HD1 H 1 6.776 0.02 . 1 . . . . 32 TRP HD1 . 15037 1 135 . 1 1 32 32 TRP HE1 H 1 9.911 0.02 . 1 . . . . 32 TRP HE1 . 15037 1 136 . 1 1 32 32 TRP HE3 H 1 6.940 0.02 . 1 . . . . 32 TRP HE3 . 15037 1 137 . 1 1 32 32 TRP HZ2 H 1 6.790 0.02 . 1 . . . . 32 TRP HZ2 . 15037 1 138 . 1 1 32 32 TRP HZ3 H 1 6.409 0.02 . 1 . . . . 32 TRP HZ3 . 15037 1 139 . 1 1 32 32 TRP HH2 H 1 6.569 0.02 . 1 . . . . 32 TRP HH2 . 15037 1 140 . 1 1 33 33 GLN H H 1 8.496 0.02 . 1 . . . . 33 GLN H . 15037 1 141 . 1 1 33 33 GLN HA H 1 5.413 0.02 . 1 . . . . 33 GLN HA . 15037 1 142 . 1 1 33 33 GLN HB2 H 1 2.076 0.02 . 2 . . . . 33 GLN HB2 . 15037 1 143 . 1 1 33 33 GLN HB3 H 1 2.175 0.02 . 2 . . . . 33 GLN HB3 . 15037 1 144 . 1 1 33 33 GLN HG2 H 1 2.581 0.02 . 2 . . . . 33 GLN HG2 . 15037 1 145 . 1 1 33 33 GLN HG3 H 1 2.411 0.02 . 2 . . . . 33 GLN HG3 . 15037 1 146 . 1 1 34 34 THR H H 1 8.517 0.02 . 1 . . . . 34 THR H . 15037 1 147 . 1 1 34 34 THR HA H 1 4.913 0.02 . 1 . . . . 34 THR HA . 15037 1 148 . 1 1 34 34 THR HB H 1 4.814 0.02 . 1 . . . . 34 THR HB . 15037 1 149 . 1 1 34 34 THR HG21 H 1 1.353 0.02 . 1 . . . . 34 THR HG2 . 15037 1 150 . 1 1 34 34 THR HG22 H 1 1.353 0.02 . 1 . . . . 34 THR HG2 . 15037 1 151 . 1 1 34 34 THR HG23 H 1 1.353 0.02 . 1 . . . . 34 THR HG2 . 15037 1 152 . 1 1 36 36 ASN H H 1 8.196 0.02 . 1 . . . . 36 ASN H . 15037 1 153 . 1 1 36 36 ASN HA H 1 5.045 0.02 . 1 . . . . 36 ASN HA . 15037 1 154 . 1 1 36 36 ASN HB2 H 1 2.874 0.02 . 2 . . . . 36 ASN HB2 . 15037 1 155 . 1 1 36 36 ASN HB3 H 1 2.458 0.02 . 2 . . . . 36 ASN HB3 . 15037 1 156 . 1 1 37 37 CYS H H 1 8.619 0.02 . 1 . . . . 37 CYS H . 15037 1 157 . 1 1 37 37 CYS HA H 1 4.354 0.02 . 1 . . . . 37 CYS HA . 15037 1 158 . 1 1 37 37 CYS HB2 H 1 3.315 0.02 . 2 . . . . 37 CYS HB2 . 15037 1 159 . 1 1 37 37 CYS HB3 H 1 3.160 0.02 . 2 . . . . 37 CYS HB3 . 15037 1 160 . 1 1 38 38 GLU H H 1 7.222 0.02 . 1 . . . . 38 GLU H . 15037 1 161 . 1 1 38 38 GLU HA H 1 5.055 0.02 . 1 . . . . 38 GLU HA . 15037 1 162 . 1 1 38 38 GLU HB2 H 1 2.108 0.02 . 2 . . . . 38 GLU HB2 . 15037 1 163 . 1 1 38 38 GLU HB3 H 1 2.033 0.02 . 2 . . . . 38 GLU HB3 . 15037 1 164 . 1 1 39 39 THR H H 1 8.574 0.02 . 1 . . . . 39 THR H . 15037 1 165 . 1 1 39 39 THR HA H 1 4.899 0.02 . 1 . . . . 39 THR HA . 15037 1 166 . 1 1 39 39 THR HB H 1 3.796 0.02 . 1 . . . . 39 THR HB . 15037 1 167 . 1 1 39 39 THR HG21 H 1 0.995 0.02 . 1 . . . . 39 THR HG2 . 15037 1 168 . 1 1 39 39 THR HG22 H 1 0.995 0.02 . 1 . . . . 39 THR HG2 . 15037 1 169 . 1 1 39 39 THR HG23 H 1 0.995 0.02 . 1 . . . . 39 THR HG2 . 15037 1 170 . 1 1 40 40 CYS H H 1 8.950 0.02 . 1 . . . . 40 CYS H . 15037 1 171 . 1 1 40 40 CYS HA H 1 5.499 0.02 . 1 . . . . 40 CYS HA . 15037 1 172 . 1 1 40 40 CYS HB2 H 1 0.499 0.02 . 2 . . . . 40 CYS HB2 . 15037 1 173 . 1 1 40 40 CYS HB3 H 1 1.612 0.02 . 2 . . . . 40 CYS HB3 . 15037 1 174 . 1 1 41 41 THR H H 1 8.524 0.02 . 1 . . . . 41 THR H . 15037 1 175 . 1 1 41 41 THR HA H 1 4.775 0.02 . 1 . . . . 41 THR HA . 15037 1 176 . 1 1 41 41 THR HB H 1 3.495 0.02 . 1 . . . . 41 THR HB . 15037 1 177 . 1 1 41 41 THR HG21 H 1 0.602 0.02 . 1 . . . . 41 THR HG2 . 15037 1 178 . 1 1 41 41 THR HG22 H 1 0.602 0.02 . 1 . . . . 41 THR HG2 . 15037 1 179 . 1 1 41 41 THR HG23 H 1 0.602 0.02 . 1 . . . . 41 THR HG2 . 15037 1 180 . 1 1 42 42 CYS H H 1 8.204 0.02 . 1 . . . . 42 CYS H . 15037 1 181 . 1 1 42 42 CYS HA H 1 4.945 0.02 . 1 . . . . 42 CYS HA . 15037 1 182 . 1 1 42 42 CYS HB2 H 1 3.213 0.02 . 2 . . . . 42 CYS HB2 . 15037 1 183 . 1 1 42 42 CYS HB3 H 1 3.106 0.02 . 2 . . . . 42 CYS HB3 . 15037 1 184 . 1 1 43 43 TYR H H 1 8.502 0.02 . 1 . . . . 43 TYR H . 15037 1 185 . 1 1 43 43 TYR HA H 1 5.118 0.02 . 1 . . . . 43 TYR HA . 15037 1 186 . 1 1 43 43 TYR HB2 H 1 3.283 0.02 . 2 . . . . 43 TYR HB2 . 15037 1 187 . 1 1 43 43 TYR HB3 H 1 3.507 0.02 . 2 . . . . 43 TYR HB3 . 15037 1 188 . 1 1 44 44 GLU H H 1 8.863 0.02 . 1 . . . . 44 GLU H . 15037 1 189 . 1 1 44 44 GLU HA H 1 3.879 0.02 . 1 . . . . 44 GLU HA . 15037 1 190 . 1 1 44 44 GLU HB2 H 1 2.117 0.02 . 2 . . . . 44 GLU HB2 . 15037 1 191 . 1 1 44 44 GLU HB3 H 1 2.237 0.02 . 2 . . . . 44 GLU HB3 . 15037 1 192 . 1 1 44 44 GLU HG2 H 1 2.351 0.02 . 2 . . . . 44 GLU HG2 . 15037 1 193 . 1 1 45 45 THR H H 1 8.123 0.02 . 1 . . . . 45 THR H . 15037 1 194 . 1 1 45 45 THR HA H 1 4.661 0.02 . 1 . . . . 45 THR HA . 15037 1 195 . 1 1 45 45 THR HB H 1 4.515 0.02 . 1 . . . . 45 THR HB . 15037 1 196 . 1 1 45 45 THR HG21 H 1 1.199 0.02 . 1 . . . . 45 THR HG2 . 15037 1 197 . 1 1 45 45 THR HG22 H 1 1.199 0.02 . 1 . . . . 45 THR HG2 . 15037 1 198 . 1 1 45 45 THR HG23 H 1 1.199 0.02 . 1 . . . . 45 THR HG2 . 15037 1 199 . 1 1 46 46 GLU H H 1 7.308 0.02 . 1 . . . . 46 GLU H . 15037 1 200 . 1 1 46 46 GLU HA H 1 5.049 0.02 . 1 . . . . 46 GLU HA . 15037 1 201 . 1 1 46 46 GLU HB2 H 1 2.385 0.02 . 2 . . . . 46 GLU HB2 . 15037 1 202 . 1 1 46 46 GLU HB3 H 1 1.844 0.02 . 2 . . . . 46 GLU HB3 . 15037 1 203 . 1 1 47 47 ILE H H 1 8.993 0.02 . 1 . . . . 47 ILE H . 15037 1 204 . 1 1 47 47 ILE HA H 1 4.935 0.02 . 1 . . . . 47 ILE HA . 15037 1 205 . 1 1 47 47 ILE HB H 1 1.866 0.02 . 1 . . . . 47 ILE HB . 15037 1 206 . 1 1 47 47 ILE HG21 H 1 0.932 0.02 . 1 . . . . 47 ILE HG2 . 15037 1 207 . 1 1 47 47 ILE HG22 H 1 0.932 0.02 . 1 . . . . 47 ILE HG2 . 15037 1 208 . 1 1 47 47 ILE HG23 H 1 0.932 0.02 . 1 . . . . 47 ILE HG2 . 15037 1 209 . 1 1 47 47 ILE HD11 H 1 1.018 0.02 . 1 . . . . 47 ILE HD1 . 15037 1 210 . 1 1 47 47 ILE HD12 H 1 1.018 0.02 . 1 . . . . 47 ILE HD1 . 15037 1 211 . 1 1 47 47 ILE HD13 H 1 1.018 0.02 . 1 . . . . 47 ILE HD1 . 15037 1 212 . 1 1 48 48 SER H H 1 8.405 0.02 . 1 . . . . 48 SER H . 15037 1 213 . 1 1 48 48 SER HA H 1 5.129 0.02 . 1 . . . . 48 SER HA . 15037 1 214 . 1 1 48 48 SER HB2 H 1 3.788 0.02 . 2 . . . . 48 SER HB2 . 15037 1 215 . 1 1 48 48 SER HB3 H 1 3.670 0.02 . 2 . . . . 48 SER HB3 . 15037 1 216 . 1 1 49 49 CYS H H 1 8.542 0.02 . 1 . . . . 49 CYS H . 15037 1 217 . 1 1 49 49 CYS HA H 1 5.277 0.02 . 1 . . . . 49 CYS HA . 15037 1 218 . 1 1 49 49 CYS HB2 H 1 2.163 0.02 . 2 . . . . 49 CYS HB2 . 15037 1 219 . 1 1 49 49 CYS HB3 H 1 1.702 0.02 . 2 . . . . 49 CYS HB3 . 15037 1 220 . 1 1 50 50 CYS H H 1 8.843 0.02 . 1 . . . . 50 CYS H . 15037 1 221 . 1 1 50 50 CYS HA H 1 5.341 0.02 . 1 . . . . 50 CYS HA . 15037 1 222 . 1 1 50 50 CYS HB2 H 1 2.728 0.02 . 2 . . . . 50 CYS HB2 . 15037 1 223 . 1 1 50 50 CYS HB3 H 1 3.098 0.02 . 2 . . . . 50 CYS HB3 . 15037 1 224 . 1 1 52 52 LEU H H 1 8.518 0.02 . 1 . . . . 52 LEU H . 15037 1 225 . 1 1 52 52 LEU HA H 1 4.556 0.02 . 1 . . . . 52 LEU HA . 15037 1 226 . 1 1 52 52 LEU HB2 H 1 1.482 0.02 . 2 . . . . 52 LEU HB2 . 15037 1 227 . 1 1 52 52 LEU HB3 H 1 1.732 0.02 . 2 . . . . 52 LEU HB3 . 15037 1 228 . 1 1 53 53 VAL H H 1 8.201 0.02 . 1 . . . . 53 VAL H . 15037 1 229 . 1 1 53 53 VAL HA H 1 4.148 0.02 . 1 . . . . 53 VAL HA . 15037 1 230 . 1 1 53 53 VAL HB H 1 2.170 0.02 . 1 . . . . 53 VAL HB . 15037 1 231 . 1 1 53 53 VAL HG11 H 1 1.051 0.02 . 2 . . . . 53 VAL HG1 . 15037 1 232 . 1 1 53 53 VAL HG12 H 1 1.051 0.02 . 2 . . . . 53 VAL HG1 . 15037 1 233 . 1 1 53 53 VAL HG13 H 1 1.051 0.02 . 2 . . . . 53 VAL HG1 . 15037 1 234 . 1 1 53 53 VAL HG21 H 1 0.986 0.02 . 2 . . . . 53 VAL HG2 . 15037 1 235 . 1 1 53 53 VAL HG22 H 1 0.986 0.02 . 2 . . . . 53 VAL HG2 . 15037 1 236 . 1 1 53 53 VAL HG23 H 1 0.986 0.02 . 2 . . . . 53 VAL HG2 . 15037 1 237 . 1 1 54 54 SER H H 1 8.438 0.02 . 1 . . . . 54 SER H . 15037 1 238 . 1 1 54 54 SER HA H 1 4.969 0.02 . 1 . . . . 54 SER HA . 15037 1 239 . 1 1 54 54 SER HB2 H 1 3.909 0.02 . 2 . . . . 54 SER HB2 . 15037 1 240 . 1 1 54 54 SER HB3 H 1 3.867 0.02 . 2 . . . . 54 SER HB3 . 15037 1 241 . 1 1 55 55 THR H H 1 9.551 0.02 . 1 . . . . 55 THR H . 15037 1 242 . 1 1 55 55 THR HA H 1 4.797 0.02 . 1 . . . . 55 THR HA . 15037 1 243 . 1 1 55 55 THR HB H 1 4.059 0.02 . 1 . . . . 55 THR HB . 15037 1 244 . 1 1 55 55 THR HG21 H 1 0.946 0.02 . 1 . . . . 55 THR HG2 . 15037 1 245 . 1 1 55 55 THR HG22 H 1 0.946 0.02 . 1 . . . . 55 THR HG2 . 15037 1 246 . 1 1 55 55 THR HG23 H 1 0.946 0.02 . 1 . . . . 55 THR HG2 . 15037 1 247 . 1 1 56 56 PRO HD2 H 1 3.905 0.02 . 2 . . . . 56 PRO HD2 . 15037 1 248 . 1 1 56 56 PRO HD3 H 1 3.220 0.02 . 2 . . . . 56 PRO HD3 . 15037 1 249 . 1 1 57 57 VAL H H 1 8.432 0.02 . 1 . . . . 57 VAL H . 15037 1 250 . 1 1 57 57 VAL HA H 1 4.312 0.02 . 1 . . . . 57 VAL HA . 15037 1 251 . 1 1 57 57 VAL HB H 1 1.881 0.02 . 1 . . . . 57 VAL HB . 15037 1 252 . 1 1 57 57 VAL HG11 H 1 0.764 0.02 . 2 . . . . 57 VAL HG1 . 15037 1 253 . 1 1 57 57 VAL HG12 H 1 0.764 0.02 . 2 . . . . 57 VAL HG1 . 15037 1 254 . 1 1 57 57 VAL HG13 H 1 0.764 0.02 . 2 . . . . 57 VAL HG1 . 15037 1 255 . 1 1 57 57 VAL HG21 H 1 0.696 0.02 . 2 . . . . 57 VAL HG2 . 15037 1 256 . 1 1 57 57 VAL HG22 H 1 0.696 0.02 . 2 . . . . 57 VAL HG2 . 15037 1 257 . 1 1 57 57 VAL HG23 H 1 0.696 0.02 . 2 . . . . 57 VAL HG2 . 15037 1 258 . 1 1 58 58 GLY H H 1 8.284 0.02 . 1 . . . . 58 GLY H . 15037 1 259 . 1 1 58 58 GLY HA2 H 1 4.819 0.02 . 2 . . . . 58 GLY HA2 . 15037 1 260 . 1 1 59 59 TYR H H 1 6.984 0.02 . 1 . . . . 59 TYR H . 15037 1 261 . 1 1 59 59 TYR HA H 1 4.819 0.02 . 1 . . . . 59 TYR HA . 15037 1 262 . 1 1 59 59 TYR HB2 H 1 3.040 0.02 . 2 . . . . 59 TYR HB2 . 15037 1 263 . 1 1 59 59 TYR HB3 H 1 2.799 0.02 . 2 . . . . 59 TYR HB3 . 15037 1 264 . 1 1 60 60 ASP H H 1 8.801 0.02 . 1 . . . . 60 ASP H . 15037 1 265 . 1 1 60 60 ASP HA H 1 4.453 0.02 . 1 . . . . 60 ASP HA . 15037 1 266 . 1 1 60 60 ASP HB2 H 1 3.193 0.02 . 2 . . . . 60 ASP HB2 . 15037 1 267 . 1 1 60 60 ASP HB3 H 1 2.628 0.02 . 2 . . . . 60 ASP HB3 . 15037 1 268 . 1 1 61 61 LYS H H 1 8.168 0.02 . 1 . . . . 61 LYS H . 15037 1 269 . 1 1 61 61 LYS HA H 1 4.136 0.02 . 1 . . . . 61 LYS HA . 15037 1 270 . 1 1 61 61 LYS HB2 H 1 1.786 0.02 . 2 . . . . 61 LYS HB2 . 15037 1 271 . 1 1 61 61 LYS HB3 H 1 1.741 0.02 . 2 . . . . 61 LYS HB3 . 15037 1 272 . 1 1 61 61 LYS HG2 H 1 1.228 0.02 . 2 . . . . 61 LYS HG2 . 15037 1 273 . 1 1 61 61 LYS HG3 H 1 1.152 0.02 . 2 . . . . 61 LYS HG3 . 15037 1 274 . 1 1 61 61 LYS HD2 H 1 1.511 0.02 . 2 . . . . 61 LYS HD2 . 15037 1 275 . 1 1 61 61 LYS HE2 H 1 2.802 0.02 . 2 . . . . 61 LYS HE2 . 15037 1 276 . 1 1 61 61 LYS HE3 H 1 2.745 0.02 . 2 . . . . 61 LYS HE3 . 15037 1 277 . 1 1 62 62 ASP H H 1 8.146 0.02 . 1 . . . . 62 ASP H . 15037 1 278 . 1 1 62 62 ASP HA H 1 4.614 0.02 . 1 . . . . 62 ASP HA . 15037 1 279 . 1 1 62 62 ASP HB2 H 1 2.737 0.02 . 2 . . . . 62 ASP HB2 . 15037 1 280 . 1 1 62 62 ASP HB3 H 1 2.633 0.02 . 2 . . . . 62 ASP HB3 . 15037 1 281 . 1 1 63 63 ASN H H 1 7.579 0.02 . 1 . . . . 63 ASN H . 15037 1 282 . 1 1 63 63 ASN HA H 1 4.964 0.02 . 1 . . . . 63 ASN HA . 15037 1 283 . 1 1 63 63 ASN HB2 H 1 2.533 0.02 . 2 . . . . 63 ASN HB2 . 15037 1 284 . 1 1 63 63 ASN HB3 H 1 2.838 0.02 . 2 . . . . 63 ASN HB3 . 15037 1 285 . 1 1 64 64 CYS H H 1 8.128 0.02 . 1 . . . . 64 CYS H . 15037 1 286 . 1 1 64 64 CYS HA H 1 5.472 0.02 . 1 . . . . 64 CYS HA . 15037 1 287 . 1 1 64 64 CYS HB2 H 1 3.720 0.02 . 2 . . . . 64 CYS HB2 . 15037 1 288 . 1 1 64 64 CYS HB3 H 1 2.625 0.02 . 2 . . . . 64 CYS HB3 . 15037 1 289 . 1 1 65 65 GLN H H 1 9.637 0.02 . 1 . . . . 65 GLN H . 15037 1 290 . 1 1 65 65 GLN HA H 1 4.809 0.02 . 1 . . . . 65 GLN HA . 15037 1 291 . 1 1 65 65 GLN HB2 H 1 1.808 0.02 . 2 . . . . 65 GLN HB2 . 15037 1 292 . 1 1 65 65 GLN HB3 H 1 2.050 0.02 . 2 . . . . 65 GLN HB3 . 15037 1 293 . 1 1 65 65 GLN HG2 H 1 2.146 0.02 . 2 . . . . 65 GLN HG2 . 15037 1 294 . 1 1 66 66 ARG H H 1 8.558 0.02 . 1 . . . . 66 ARG H . 15037 1 295 . 1 1 66 66 ARG HA H 1 5.184 0.02 . 1 . . . . 66 ARG HA . 15037 1 296 . 1 1 66 66 ARG HB2 H 1 1.675 0.02 . 2 . . . . 66 ARG HB2 . 15037 1 297 . 1 1 66 66 ARG HB3 H 1 1.502 0.02 . 2 . . . . 66 ARG HB3 . 15037 1 298 . 1 1 66 66 ARG HG2 H 1 1.422 0.02 . 2 . . . . 66 ARG HG2 . 15037 1 299 . 1 1 67 67 ILE H H 1 9.398 0.02 . 1 . . . . 67 ILE H . 15037 1 300 . 1 1 67 67 ILE HA H 1 4.566 0.02 . 1 . . . . 67 ILE HA . 15037 1 301 . 1 1 67 67 ILE HB H 1 1.811 0.02 . 1 . . . . 67 ILE HB . 15037 1 302 . 1 1 67 67 ILE HG12 H 1 1.096 0.02 . 2 . . . . 67 ILE HG12 . 15037 1 303 . 1 1 67 67 ILE HG13 H 1 1.438 0.02 . 2 . . . . 67 ILE HG13 . 15037 1 304 . 1 1 67 67 ILE HG21 H 1 0.891 0.02 . 1 . . . . 67 ILE HG2 . 15037 1 305 . 1 1 67 67 ILE HG22 H 1 0.891 0.02 . 1 . . . . 67 ILE HG2 . 15037 1 306 . 1 1 67 67 ILE HG23 H 1 0.891 0.02 . 1 . . . . 67 ILE HG2 . 15037 1 307 . 1 1 67 67 ILE HD11 H 1 0.796 0.02 . 1 . . . . 67 ILE HD1 . 15037 1 308 . 1 1 67 67 ILE HD12 H 1 0.796 0.02 . 1 . . . . 67 ILE HD1 . 15037 1 309 . 1 1 67 67 ILE HD13 H 1 0.796 0.02 . 1 . . . . 67 ILE HD1 . 15037 1 310 . 1 1 68 68 PHE H H 1 9.210 0.02 . 1 . . . . 68 PHE H . 15037 1 311 . 1 1 68 68 PHE HA H 1 4.602 0.02 . 1 . . . . 68 PHE HA . 15037 1 312 . 1 1 69 69 LYS H H 1 8.576 0.02 . 1 . . . . 69 LYS H . 15037 1 313 . 1 1 69 69 LYS HA H 1 4.406 0.02 . 1 . . . . 69 LYS HA . 15037 1 314 . 1 1 69 69 LYS HB2 H 1 1.675 0.02 . 2 . . . . 69 LYS HB2 . 15037 1 315 . 1 1 69 69 LYS HG2 H 1 1.380 0.02 . 2 . . . . 69 LYS HG2 . 15037 1 316 . 1 1 69 69 LYS HG3 H 1 1.265 0.02 . 2 . . . . 69 LYS HG3 . 15037 1 317 . 1 1 69 69 LYS HD2 H 1 1.584 0.02 . 2 . . . . 69 LYS HD2 . 15037 1 318 . 1 1 69 69 LYS HE2 H 1 2.824 0.02 . 2 . . . . 69 LYS HE2 . 15037 1 319 . 1 1 70 70 LYS H H 1 8.013 0.02 . 1 . . . . 70 LYS H . 15037 1 320 . 1 1 70 70 LYS HA H 1 3.207 0.02 . 1 . . . . 70 LYS HA . 15037 1 321 . 1 1 70 70 LYS HB2 H 1 1.733 0.02 . 1 . . . . 70 LYS HB2 . 15037 1 322 . 1 1 70 70 LYS HB3 H 1 1.661 0.02 . 2 . . . . 70 LYS HB3 . 15037 1 323 . 1 1 70 70 LYS HG2 H 1 1.403 0.02 . 2 . . . . 70 LYS HG2 . 15037 1 324 . 1 1 71 71 GLU H H 1 9.507 0.02 . 1 . . . . 71 GLU H . 15037 1 325 . 1 1 71 71 GLU HA H 1 3.960 0.02 . 1 . . . . 71 GLU HA . 15037 1 326 . 1 1 71 71 GLU HB2 H 1 1.885 0.02 . 2 . . . . 71 GLU HB2 . 15037 1 327 . 1 1 71 71 GLU HB3 H 1 1.948 0.02 . 2 . . . . 71 GLU HB3 . 15037 1 328 . 1 1 71 71 GLU HG2 H 1 2.266 0.02 . 2 . . . . 71 GLU HG2 . 15037 1 329 . 1 1 72 72 ASP H H 1 6.862 0.02 . 1 . . . . 72 ASP H . 15037 1 330 . 1 1 72 72 ASP HA H 1 4.788 0.02 . 1 . . . . 72 ASP HA . 15037 1 331 . 1 1 72 72 ASP HB2 H 1 2.131 0.01 . 2 . . . . 72 ASP HB2 . 15037 1 332 . 1 1 72 72 ASP HB3 H 1 2.706 0.02 . 2 . . . . 72 ASP HB3 . 15037 1 333 . 1 1 73 73 CYS H H 1 7.929 0.02 . 1 . . . . 73 CYS H . 15037 1 334 . 1 1 73 73 CYS HA H 1 4.040 0.02 . 1 . . . . 73 CYS HA . 15037 1 335 . 1 1 73 73 CYS HB2 H 1 2.946 0.02 . 2 . . . . 73 CYS HB2 . 15037 1 336 . 1 1 73 73 CYS HB3 H 1 3.111 0.02 . 2 . . . . 73 CYS HB3 . 15037 1 337 . 1 1 74 74 LYS H H 1 7.145 0.02 . 1 . . . . 74 LYS H . 15037 1 338 . 1 1 74 74 LYS HA H 1 5.013 0.02 . 1 . . . . 74 LYS HA . 15037 1 339 . 1 1 74 74 LYS HB2 H 1 1.710 0.02 . 2 . . . . 74 LYS HB2 . 15037 1 340 . 1 1 74 74 LYS HG2 H 1 1.121 0.02 . 2 . . . . 74 LYS HG2 . 15037 1 341 . 1 1 74 74 LYS HG3 H 1 1.245 0.02 . 2 . . . . 74 LYS HG3 . 15037 1 342 . 1 1 74 74 LYS HD2 H 1 1.565 0.02 . 2 . . . . 74 LYS HD2 . 15037 1 343 . 1 1 74 74 LYS HE2 H 1 2.818 0.02 . 2 . . . . 74 LYS HE2 . 15037 1 344 . 1 1 75 75 TYR H H 1 9.172 0.02 . 1 . . . . 75 TYR H . 15037 1 345 . 1 1 75 75 TYR HA H 1 5.587 0.02 . 1 . . . . 75 TYR HA . 15037 1 346 . 1 1 75 75 TYR HB2 H 1 3.012 0.02 . 2 . . . . 75 TYR HB2 . 15037 1 347 . 1 1 75 75 TYR HB3 H 1 2.879 0.02 . 2 . . . . 75 TYR HB3 . 15037 1 348 . 1 1 76 76 ILE H H 1 9.054 0.02 . 1 . . . . 76 ILE H . 15037 1 349 . 1 1 76 76 ILE HA H 1 4.791 0.02 . 1 . . . . 76 ILE HA . 15037 1 350 . 1 1 76 76 ILE HB H 1 1.870 0.01 . 1 . . . . 76 ILE HB . 15037 1 351 . 1 1 76 76 ILE HG21 H 1 0.928 0.02 . 1 . . . . 76 ILE HG2 . 15037 1 352 . 1 1 76 76 ILE HG22 H 1 0.928 0.02 . 1 . . . . 76 ILE HG2 . 15037 1 353 . 1 1 76 76 ILE HG23 H 1 0.928 0.02 . 1 . . . . 76 ILE HG2 . 15037 1 354 . 1 1 76 76 ILE HD11 H 1 0.839 0.02 . 1 . . . . 76 ILE HD1 . 15037 1 355 . 1 1 76 76 ILE HD12 H 1 0.839 0.02 . 1 . . . . 76 ILE HD1 . 15037 1 356 . 1 1 76 76 ILE HD13 H 1 0.839 0.02 . 1 . . . . 76 ILE HD1 . 15037 1 357 . 1 1 77 77 VAL H H 1 8.564 0.02 . 1 . . . . 77 VAL H . 15037 1 358 . 1 1 77 77 VAL HA H 1 4.852 0.02 . 1 . . . . 77 VAL HA . 15037 1 359 . 1 1 77 77 VAL HB H 1 1.675 0.02 . 1 . . . . 77 VAL HB . 15037 1 360 . 1 1 77 77 VAL HG11 H 1 0.179 0.02 . 2 . . . . 77 VAL HG1 . 15037 1 361 . 1 1 77 77 VAL HG12 H 1 0.179 0.02 . 2 . . . . 77 VAL HG1 . 15037 1 362 . 1 1 77 77 VAL HG13 H 1 0.179 0.02 . 2 . . . . 77 VAL HG1 . 15037 1 363 . 1 1 77 77 VAL HG21 H 1 0.082 0.02 . 2 . . . . 77 VAL HG2 . 15037 1 364 . 1 1 77 77 VAL HG22 H 1 0.082 0.02 . 2 . . . . 77 VAL HG2 . 15037 1 365 . 1 1 77 77 VAL HG23 H 1 0.082 0.02 . 2 . . . . 77 VAL HG2 . 15037 1 366 . 1 1 78 78 VAL H H 1 8.437 0.02 . 1 . . . . 78 VAL H . 15037 1 367 . 1 1 78 78 VAL HA H 1 5.263 0.02 . 1 . . . . 78 VAL HA . 15037 1 368 . 1 1 78 78 VAL HB H 1 2.314 0.02 . 1 . . . . 78 VAL HB . 15037 1 369 . 1 1 78 78 VAL HG11 H 1 0.781 0.02 . 2 . . . . 78 VAL HG1 . 15037 1 370 . 1 1 78 78 VAL HG12 H 1 0.781 0.02 . 2 . . . . 78 VAL HG1 . 15037 1 371 . 1 1 78 78 VAL HG13 H 1 0.781 0.02 . 2 . . . . 78 VAL HG1 . 15037 1 372 . 1 1 80 80 LYS H H 1 8.444 0.02 . 1 . . . . 80 LYS H . 15037 1 373 . 1 1 80 80 LYS HA H 1 3.897 0.02 . 1 . . . . 80 LYS HA . 15037 1 374 . 1 1 80 80 LYS HB2 H 1 1.813 0.02 . 2 . . . . 80 LYS HB2 . 15037 1 375 . 1 1 80 80 LYS HE2 H 1 2.870 0.02 . 2 . . . . 80 LYS HE2 . 15037 1 376 . 1 1 80 80 LYS HE3 H 1 2.820 0.02 . 2 . . . . 80 LYS HE3 . 15037 1 377 . 1 1 81 81 LYS H H 1 8.338 0.02 . 1 . . . . 81 LYS H . 15037 1 378 . 1 1 81 81 LYS HA H 1 4.236 0.02 . 1 . . . . 81 LYS HA . 15037 1 379 . 1 1 81 81 LYS HB2 H 1 1.875 0.02 . 2 . . . . 81 LYS HB2 . 15037 1 380 . 1 1 81 81 LYS HG2 H 1 1.450 0.02 . 2 . . . . 81 LYS HG2 . 15037 1 381 . 1 1 81 81 LYS HD2 H 1 1.703 0.02 . 2 . . . . 81 LYS HD2 . 15037 1 382 . 1 1 81 81 LYS HE2 H 1 3.029 0.02 . 2 . . . . 81 LYS HE2 . 15037 1 383 . 1 1 82 82 ASP H H 1 6.701 0.02 . 1 . . . . 82 ASP H . 15037 1 384 . 1 1 82 82 ASP HA H 1 4.866 0.01 . 1 . . . . 82 ASP HA . 15037 1 385 . 1 1 82 82 ASP HB2 H 1 2.928 0.02 . 2 . . . . 82 ASP HB2 . 15037 1 386 . 1 1 82 82 ASP HB3 H 1 2.522 0.02 . 2 . . . . 82 ASP HB3 . 15037 1 387 . 1 1 83 83 PRO HB2 H 1 2.258 0.02 . 2 . . . . 83 PRO HB2 . 15037 1 388 . 1 1 83 83 PRO HG2 H 1 1.918 0.02 . 2 . . . . 83 PRO HG2 . 15037 1 389 . 1 1 83 83 PRO HG3 H 1 1.984 0.02 . 2 . . . . 83 PRO HG3 . 15037 1 390 . 1 1 83 83 PRO HD2 H 1 3.846 0.02 . 2 . . . . 83 PRO HD2 . 15037 1 391 . 1 1 83 83 PRO HD3 H 1 3.507 0.02 . 2 . . . . 83 PRO HD3 . 15037 1 392 . 1 1 84 84 LYS H H 1 7.683 0.02 . 1 . . . . 84 LYS H . 15037 1 393 . 1 1 84 84 LYS HA H 1 4.249 0.02 . 1 . . . . 84 LYS HA . 15037 1 394 . 1 1 84 84 LYS HB2 H 1 1.881 0.02 . 2 . . . . 84 LYS HB2 . 15037 1 395 . 1 1 84 84 LYS HG2 H 1 1.439 0.02 . 2 . . . . 84 LYS HG2 . 15037 1 396 . 1 1 84 84 LYS HD2 H 1 1.700 0.02 . 2 . . . . 84 LYS HD2 . 15037 1 397 . 1 1 84 84 LYS HE2 H 1 3.022 0.02 . 2 . . . . 84 LYS HE2 . 15037 1 398 . 1 1 85 85 LYS H H 1 8.286 0.02 . 1 . . . . 85 LYS H . 15037 1 399 . 1 1 85 85 LYS HA H 1 4.548 0.02 . 1 . . . . 85 LYS HA . 15037 1 400 . 1 1 85 85 LYS HB2 H 1 1.881 0.02 . 2 . . . . 85 LYS HB2 . 15037 1 401 . 1 1 85 85 LYS HB3 H 1 1.765 0.02 . 2 . . . . 85 LYS HB3 . 15037 1 402 . 1 1 85 85 LYS HG2 H 1 1.400 0.02 . 2 . . . . 85 LYS HG2 . 15037 1 403 . 1 1 85 85 LYS HG3 H 1 1.313 0.02 . 2 . . . . 85 LYS HG3 . 15037 1 404 . 1 1 85 85 LYS HD2 H 1 1.700 0.02 . 2 . . . . 85 LYS HD2 . 15037 1 405 . 1 1 85 85 LYS HE2 H 1 3.022 0.02 . 2 . . . . 85 LYS HE2 . 15037 1 406 . 1 1 86 86 THR H H 1 8.158 0.02 . 1 . . . . 86 THR H . 15037 1 407 . 1 1 86 86 THR HA H 1 4.681 0.02 . 1 . . . . 86 THR HA . 15037 1 408 . 1 1 86 86 THR HB H 1 4.314 0.02 . 1 . . . . 86 THR HB . 15037 1 409 . 1 1 86 86 THR HG21 H 1 1.326 0.02 . 1 . . . . 86 THR HG2 . 15037 1 410 . 1 1 86 86 THR HG22 H 1 1.326 0.02 . 1 . . . . 86 THR HG2 . 15037 1 411 . 1 1 86 86 THR HG23 H 1 1.326 0.02 . 1 . . . . 86 THR HG2 . 15037 1 412 . 1 1 87 87 CYS H H 1 8.206 0.02 . 1 . . . . 87 CYS H . 15037 1 413 . 1 1 87 87 CYS HA H 1 4.945 0.02 . 1 . . . . 87 CYS HA . 15037 1 414 . 1 1 87 87 CYS HB2 H 1 3.299 0.02 . 2 . . . . 87 CYS HB2 . 15037 1 415 . 1 1 87 87 CYS HB3 H 1 3.072 0.02 . 2 . . . . 87 CYS HB3 . 15037 1 416 . 1 1 88 88 SER H H 1 8.464 0.02 . 1 . . . . 88 SER H . 15037 1 417 . 1 1 88 88 SER HA H 1 4.340 0.02 . 1 . . . . 88 SER HA . 15037 1 418 . 1 1 88 88 SER HB2 H 1 3.841 0.02 . 2 . . . . 88 SER HB2 . 15037 1 419 . 1 1 89 89 VAL H H 1 8.239 0.02 . 1 . . . . 89 VAL H . 15037 1 420 . 1 1 89 89 VAL HA H 1 4.306 0.02 . 1 . . . . 89 VAL HA . 15037 1 421 . 1 1 89 89 VAL HB H 1 1.838 0.02 . 1 . . . . 89 VAL HB . 15037 1 422 . 1 1 89 89 VAL HG11 H 1 0.587 0.02 . 2 . . . . 89 VAL HG1 . 15037 1 423 . 1 1 89 89 VAL HG12 H 1 0.587 0.02 . 2 . . . . 89 VAL HG1 . 15037 1 424 . 1 1 89 89 VAL HG13 H 1 0.587 0.02 . 2 . . . . 89 VAL HG1 . 15037 1 425 . 1 1 89 89 VAL HG21 H 1 -0.014 0.02 . 2 . . . . 89 VAL HG2 . 15037 1 426 . 1 1 89 89 VAL HG22 H 1 -0.014 0.02 . 2 . . . . 89 VAL HG2 . 15037 1 427 . 1 1 89 89 VAL HG23 H 1 -0.014 0.02 . 2 . . . . 89 VAL HG2 . 15037 1 428 . 1 1 90 90 SER H H 1 8.705 0.02 . 1 . . . . 90 SER H . 15037 1 429 . 1 1 90 90 SER HA H 1 4.398 0.02 . 1 . . . . 90 SER HA . 15037 1 430 . 1 1 90 90 SER HB2 H 1 4.057 0.02 . 2 . . . . 90 SER HB2 . 15037 1 431 . 1 1 90 90 SER HB3 H 1 3.939 0.02 . 2 . . . . 90 SER HB3 . 15037 1 432 . 1 1 91 91 GLU H H 1 7.683 0.02 . 1 . . . . 91 GLU H . 15037 1 433 . 1 1 91 91 GLU HA H 1 4.693 0.02 . 1 . . . . 91 GLU HA . 15037 1 434 . 1 1 91 91 GLU HB2 H 1 1.872 0.02 . 2 . . . . 91 GLU HB2 . 15037 1 435 . 1 1 91 91 GLU HG2 H 1 2.104 0.02 . 2 . . . . 91 GLU HG2 . 15037 1 436 . 1 1 92 92 TRP H H 1 8.635 0.02 . 1 . . . . 92 TRP H . 15037 1 437 . 1 1 92 92 TRP HA H 1 5.043 0.02 . 1 . . . . 92 TRP HA . 15037 1 438 . 1 1 92 92 TRP HB2 H 1 2.928 0.02 . 2 . . . . 92 TRP HB2 . 15037 1 439 . 1 1 92 92 TRP HB3 H 1 3.112 0.02 . 2 . . . . 92 TRP HB3 . 15037 1 440 . 1 1 92 92 TRP HD1 H 1 7.148 0.02 . 1 . . . . 92 TRP HD1 . 15037 1 441 . 1 1 92 92 TRP HE1 H 1 10.196 0.02 . 1 . . . . 92 TRP HE1 . 15037 1 442 . 1 1 92 92 TRP HE3 H 1 7.521 0.02 . 1 . . . . 92 TRP HE3 . 15037 1 443 . 1 1 92 92 TRP HZ2 H 1 7.304 0.02 . 1 . . . . 92 TRP HZ2 . 15037 1 444 . 1 1 92 92 TRP HZ3 H 1 6.771 0.02 . 1 . . . . 92 TRP HZ3 . 15037 1 445 . 1 1 92 92 TRP HH2 H 1 7.161 0.02 . 1 . . . . 92 TRP HH2 . 15037 1 446 . 1 1 93 93 ILE H H 1 9.133 0.02 . 1 . . . . 93 ILE H . 15037 1 447 . 1 1 93 93 ILE HA H 1 4.633 0.02 . 1 . . . . 93 ILE HA . 15037 1 448 . 1 1 93 93 ILE HB H 1 1.908 0.02 . 1 . . . . 93 ILE HB . 15037 1 449 . 1 1 93 93 ILE HG12 H 1 1.449 0.02 . 2 . . . . 93 ILE HG12 . 15037 1 450 . 1 1 93 93 ILE HG13 H 1 1.184 0.02 . 2 . . . . 93 ILE HG13 . 15037 1 451 . 1 1 93 93 ILE HG21 H 1 0.916 0.02 . 1 . . . . 93 ILE HG2 . 15037 1 452 . 1 1 93 93 ILE HG22 H 1 0.916 0.02 . 1 . . . . 93 ILE HG2 . 15037 1 453 . 1 1 93 93 ILE HG23 H 1 0.916 0.02 . 1 . . . . 93 ILE HG2 . 15037 1 454 . 1 1 93 93 ILE HD11 H 1 0.791 0.02 . 1 . . . . 93 ILE HD1 . 15037 1 455 . 1 1 93 93 ILE HD12 H 1 0.791 0.02 . 1 . . . . 93 ILE HD1 . 15037 1 456 . 1 1 93 93 ILE HD13 H 1 0.791 0.02 . 1 . . . . 93 ILE HD1 . 15037 1 457 . 1 1 94 94 ILE H H 1 8.058 0.02 . 1 . . . . 94 ILE H . 15037 1 458 . 1 1 94 94 ILE HA H 1 4.325 0.02 . 1 . . . . 94 ILE HA . 15037 1 459 . 1 1 94 94 ILE HB H 1 1.781 0.02 . 1 . . . . 94 ILE HB . 15037 1 460 . 1 1 94 94 ILE HG12 H 1 1.530 0.02 . 2 . . . . 94 ILE HG12 . 15037 1 461 . 1 1 94 94 ILE HG13 H 1 1.189 0.02 . 2 . . . . 94 ILE HG13 . 15037 1 462 . 1 1 94 94 ILE HG21 H 1 0.904 0.02 . 1 . . . . 94 ILE HG2 . 15037 1 463 . 1 1 94 94 ILE HG22 H 1 0.904 0.02 . 1 . . . . 94 ILE HG2 . 15037 1 464 . 1 1 94 94 ILE HG23 H 1 0.904 0.02 . 1 . . . . 94 ILE HG2 . 15037 1 465 . 1 1 94 94 ILE HD11 H 1 0.822 0.02 . 1 . . . . 94 ILE HD1 . 15037 1 466 . 1 1 94 94 ILE HD12 H 1 0.822 0.02 . 1 . . . . 94 ILE HD1 . 15037 1 467 . 1 1 94 94 ILE HD13 H 1 0.822 0.02 . 1 . . . . 94 ILE HD1 . 15037 1 stop_ save_