data_6690 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6690 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'PSI AB box' 'Structure analysis' 'PSI AB box complex with U1-70k protein proline-rich peptide' 6690 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'NMR structure' 6690 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6690 _Entry.Title ; Partial 1H, 13C, and 15N Chemical Shift Assignments for PSI AB box region in complex with U1-70k protein proline-rich peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-06-15 _Entry.Accession_date 2005-06-15 _Entry.Last_release_date 2007-01-26 _Entry.Original_release_date 2007-01-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Tijana Ignjatovic . . . 6690 2 Ji-Chun Yang . . . 6690 3 Jonathan Butler . . . 6690 4 David Neuhaus . . . 6690 5 Kiyoshi Nagai . . . 6690 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6690 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 128 6690 '15N chemical shifts' 59 6690 '1H chemical shifts' 264 6690 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 . . 2007-01-26 2005-06-15 original author . 6690 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2BN5 'BMRB Entry Tracking System' 6690 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6690 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15990112 _Citation.Full_citation . _Citation.Title ; Structural Basis of the Interaction Between P-element Somatic Inhibitor and U1-70k Essential for the Alternative Splicing of P-element Transposase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 351 _Citation.Journal_issue 1 _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 52 _Citation.Page_last 65 _Citation.Year 2005 _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 Tijana Ignjatovic . . . 6690 1 2 Ji-Chun Yang . . . 6690 1 3 Jonathan Butler . . . 6690 1 4 David Neuhaus . . . 6690 1 5 Kiyoshi Nagai . . . 6690 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6690 _Assembly.ID 1 _Assembly.Name 'PSI AB complex with U1-70k proline-rich peptide' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _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 'protein-protein complex' 6690 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 'PSI AB box' 1 $PSI_AB_box . . yes native no no 1 . . 6690 1 2 'U1-70k proline-rich peptide' 2 $U1-70k_peptide . . yes native no no 2 . . 6690 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Intermediate exchange' 6690 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PSI_AB_box _Entity.Sf_category entity _Entity.Sf_framecode PSI_AB_box _Entity.Entry_ID 6690 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PSI AB box' _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 ; SDYSAQWIEYYKQMGSHREA EMIEQQMKAKQAGGSSGPVQ QQQPQQQQQSQQQTGGAGAG GADYSAQWAEYYRSVGKIEE AEAIEKTLKNKQN ; _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 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2BN5 . "P-Element Somatic Inhibitor Protein Complex With U1-70k Proline-Rich Peptide" . . . . . 100.00 21 100.00 100.00 2.14e-04 . . . . 6690 1 2 no GB AAA28859 . "U1 70K small nuclear ribonucleoprotein, (first expressed exon) [Drosophila melanogaster]" . . . . . 100.00 448 100.00 100.00 8.78e-05 . . . . 6690 1 3 no GB AAF52471 . "small ribonucleoprotein particle U1 subunit 70K, isoform A [Drosophila melanogaster]" . . . . . 100.00 448 100.00 100.00 8.78e-05 . . . . 6690 1 4 no GB AAL29049 . "LD46049p [Drosophila melanogaster]" . . . . . 100.00 448 100.00 100.00 8.78e-05 . . . . 6690 1 5 no GB AAL90360 . "RE35772p [Drosophila melanogaster]" . . . . . 100.00 448 100.00 100.00 8.78e-05 . . . . 6690 1 6 no GB ACL85981 . "snRNP70K-PA, partial [synthetic construct]" . . . . . 100.00 448 100.00 100.00 8.78e-05 . . . . 6690 1 7 no REF NP_001260173 . "small ribonucleoprotein particle U1 subunit 70K, isoform C [Drosophila melanogaster]" . . . . . 100.00 448 100.00 100.00 8.78e-05 . . . . 6690 1 8 no REF NP_477205 . "small ribonucleoprotein particle U1 subunit 70K, isoform A [Drosophila melanogaster]" . . . . . 100.00 448 100.00 100.00 8.78e-05 . . . . 6690 1 9 no REF XP_001962392 . "GF14460 [Drosophila ananassae]" . . . . . 100.00 453 100.00 100.00 7.65e-05 . . . . 6690 1 10 no REF XP_001970105 . "GG23559 [Drosophila erecta]" . . . . . 100.00 448 100.00 100.00 3.96e-05 . . . . 6690 1 11 no REF XP_002036020 . "GM13669 [Drosophila sechellia]" . . . . . 100.00 448 100.00 100.00 8.61e-05 . . . . 6690 1 12 no SP P17133 . "RecName: Full=U1 small nuclear ribonucleoprotein 70 kDa; Short=U1 snRNP 70 kDa; Short=U1-70K; Short=snRNP70 [Drosophila melanog" . . . . . 100.00 448 100.00 100.00 8.78e-05 . . . . 6690 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PSI protein AB box' . 6690 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 . 6690 1 2 . ASP . 6690 1 3 . TYR . 6690 1 4 . SER . 6690 1 5 . ALA . 6690 1 6 . GLN . 6690 1 7 . TRP . 6690 1 8 . ILE . 6690 1 9 . GLU . 6690 1 10 . TYR . 6690 1 11 . TYR . 6690 1 12 . LYS . 6690 1 13 . GLN . 6690 1 14 . MET . 6690 1 15 . GLY . 6690 1 16 . SER . 6690 1 17 . HIS . 6690 1 18 . ARG . 6690 1 19 . GLU . 6690 1 20 . ALA . 6690 1 21 . GLU . 6690 1 22 . MET . 6690 1 23 . ILE . 6690 1 24 . GLU . 6690 1 25 . GLN . 6690 1 26 . GLN . 6690 1 27 . MET . 6690 1 28 . LYS . 6690 1 29 . ALA . 6690 1 30 . LYS . 6690 1 31 . GLN . 6690 1 32 . ALA . 6690 1 33 . GLY . 6690 1 34 . GLY . 6690 1 35 . SER . 6690 1 36 . SER . 6690 1 37 . GLY . 6690 1 38 . PRO . 6690 1 39 . VAL . 6690 1 40 . GLN . 6690 1 41 . GLN . 6690 1 42 . GLN . 6690 1 43 . GLN . 6690 1 44 . PRO . 6690 1 45 . GLN . 6690 1 46 . GLN . 6690 1 47 . GLN . 6690 1 48 . GLN . 6690 1 49 . GLN . 6690 1 50 . SER . 6690 1 51 . GLN . 6690 1 52 . GLN . 6690 1 53 . GLN . 6690 1 54 . THR . 6690 1 55 . GLY . 6690 1 56 . GLY . 6690 1 57 . ALA . 6690 1 58 . GLY . 6690 1 59 . ALA . 6690 1 60 . GLY . 6690 1 61 . GLY . 6690 1 62 . ALA . 6690 1 63 . ASP . 6690 1 64 . TYR . 6690 1 65 . SER . 6690 1 66 . ALA . 6690 1 67 . GLN . 6690 1 68 . TRP . 6690 1 69 . ALA . 6690 1 70 . GLU . 6690 1 71 . TYR . 6690 1 72 . TYR . 6690 1 73 . ARG . 6690 1 74 . SER . 6690 1 75 . VAL . 6690 1 76 . GLY . 6690 1 77 . LYS . 6690 1 78 . ILE . 6690 1 79 . GLU . 6690 1 80 . GLU . 6690 1 81 . ALA . 6690 1 82 . GLU . 6690 1 83 . ALA . 6690 1 84 . ILE . 6690 1 85 . GLU . 6690 1 86 . LYS . 6690 1 87 . THR . 6690 1 88 . LEU . 6690 1 89 . LYS . 6690 1 90 . ASN . 6690 1 91 . LYS . 6690 1 92 . GLN . 6690 1 93 . ASN . 6690 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 6690 1 . ASP 2 2 6690 1 . TYR 3 3 6690 1 . SER 4 4 6690 1 . ALA 5 5 6690 1 . GLN 6 6 6690 1 . TRP 7 7 6690 1 . ILE 8 8 6690 1 . GLU 9 9 6690 1 . TYR 10 10 6690 1 . TYR 11 11 6690 1 . LYS 12 12 6690 1 . GLN 13 13 6690 1 . MET 14 14 6690 1 . GLY 15 15 6690 1 . SER 16 16 6690 1 . HIS 17 17 6690 1 . ARG 18 18 6690 1 . GLU 19 19 6690 1 . ALA 20 20 6690 1 . GLU 21 21 6690 1 . MET 22 22 6690 1 . ILE 23 23 6690 1 . GLU 24 24 6690 1 . GLN 25 25 6690 1 . GLN 26 26 6690 1 . MET 27 27 6690 1 . LYS 28 28 6690 1 . ALA 29 29 6690 1 . LYS 30 30 6690 1 . GLN 31 31 6690 1 . ALA 32 32 6690 1 . GLY 33 33 6690 1 . GLY 34 34 6690 1 . SER 35 35 6690 1 . SER 36 36 6690 1 . GLY 37 37 6690 1 . PRO 38 38 6690 1 . VAL 39 39 6690 1 . GLN 40 40 6690 1 . GLN 41 41 6690 1 . GLN 42 42 6690 1 . GLN 43 43 6690 1 . PRO 44 44 6690 1 . GLN 45 45 6690 1 . GLN 46 46 6690 1 . GLN 47 47 6690 1 . GLN 48 48 6690 1 . GLN 49 49 6690 1 . SER 50 50 6690 1 . GLN 51 51 6690 1 . GLN 52 52 6690 1 . GLN 53 53 6690 1 . THR 54 54 6690 1 . GLY 55 55 6690 1 . GLY 56 56 6690 1 . ALA 57 57 6690 1 . GLY 58 58 6690 1 . ALA 59 59 6690 1 . GLY 60 60 6690 1 . GLY 61 61 6690 1 . ALA 62 62 6690 1 . ASP 63 63 6690 1 . TYR 64 64 6690 1 . SER 65 65 6690 1 . ALA 66 66 6690 1 . GLN 67 67 6690 1 . TRP 68 68 6690 1 . ALA 69 69 6690 1 . GLU 70 70 6690 1 . TYR 71 71 6690 1 . TYR 72 72 6690 1 . ARG 73 73 6690 1 . SER 74 74 6690 1 . VAL 75 75 6690 1 . GLY 76 76 6690 1 . LYS 77 77 6690 1 . ILE 78 78 6690 1 . GLU 79 79 6690 1 . GLU 80 80 6690 1 . ALA 81 81 6690 1 . GLU 82 82 6690 1 . ALA 83 83 6690 1 . ILE 84 84 6690 1 . GLU 85 85 6690 1 . LYS 86 86 6690 1 . THR 87 87 6690 1 . LEU 88 88 6690 1 . LYS 89 89 6690 1 . ASN 90 90 6690 1 . LYS 91 91 6690 1 . GLN 92 92 6690 1 . ASN 93 93 6690 1 stop_ save_ save_U1-70k_peptide _Entity.Sf_category entity _Entity.Sf_framecode U1-70k_peptide _Entity.Entry_ID 6690 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'U1-70k peptide' _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 ; RPPPAHHNMFSVPPPPILGR G ; _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 21 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'U1-70k peptide' . 6690 2 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 . ARG . 6690 2 2 . PRO . 6690 2 3 . PRO . 6690 2 4 . PRO . 6690 2 5 . ALA . 6690 2 6 . HIS . 6690 2 7 . HIS . 6690 2 8 . ASN . 6690 2 9 . MET . 6690 2 10 . PHE . 6690 2 11 . SER . 6690 2 12 . VAL . 6690 2 13 . PRO . 6690 2 14 . PRO . 6690 2 15 . PRO . 6690 2 16 . PRO . 6690 2 17 . ILE . 6690 2 18 . LEU . 6690 2 19 . GLY . 6690 2 20 . ARG . 6690 2 21 . GLY . 6690 2 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 . ARG 1 1 6690 2 . PRO 2 2 6690 2 . PRO 3 3 6690 2 . PRO 4 4 6690 2 . ALA 5 5 6690 2 . HIS 6 6 6690 2 . HIS 7 7 6690 2 . ASN 8 8 6690 2 . MET 9 9 6690 2 . PHE 10 10 6690 2 . SER 11 11 6690 2 . VAL 12 12 6690 2 . PRO 13 13 6690 2 . PRO 14 14 6690 2 . PRO 15 15 6690 2 . PRO 16 16 6690 2 . ILE 17 17 6690 2 . LEU 18 18 6690 2 . GLY 19 19 6690 2 . ARG 20 20 6690 2 . GLY 21 21 6690 2 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 6690 _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 $PSI_AB_box . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Protista Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 6690 1 2 2 $U1-70k_peptide . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Protista Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 6690 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 6690 _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 $PSI_AB_box . 'recombinant technology' . 'Escherischia coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6690 1 2 2 $U1-70k_peptide . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6690 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6690 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N labelled complex' _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 'PSI AB box' [U-15N] 1 $assembly 1 $PSI_AB_box . . . 0.4 0.42 mM . . . . 6690 1 2 'U1-70k peptide' . 1 $assembly 2 $U1-70k_peptide . . . 0.4 0.42 mM . . . . 6690 1 3 'sodium phosphate' . . . . . . . 10 . . mM . . . . 6690 1 4 'sodium chloride' . . . . . . . 150 . . mM . . . . 6690 1 5 DTT . . . . . . . 5 . . mM . . . . 6690 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6690 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N, 13C labelled complex' _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 'PSI AB box' '[U-13C; U-15N]' 1 $assembly 1 $PSI_AB_box . . . 0.4 0.45 mM . . . . 6690 2 2 'U1-70k peptide' . 1 $assembly 2 $U1-70k_peptide . . . 0.4 0.45 mM . . . . 6690 2 3 'sodium phosphate' . . . . . . . 10 . . mM . . . . 6690 2 4 'sodium chloride' . . . . . . . 150 . . mM . . . . 6690 2 5 DTT . . . . . . . 5 . . mM . . . . 6690 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6690 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 pH 6690 1 temperature 290 0.5 K 6690 1 stop_ save_ ############################ # Computer software used # ############################ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 6690 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 6690 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID analysis 6690 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800 _NMR_spectrometer.Entry_ID 6690 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_500 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500 _NMR_spectrometer.Entry_ID 6690 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6690 _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 NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800 . . . . . . . . . . . . . . . . 6690 1 2 '2D TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800 . . . . . . . . . . . . . . . . 6690 1 3 '2D 15N HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800 . . . . . . . . . . . . . . . . 6690 1 4 '2D 13C HSQC' no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 1 $800 . . . . . . . . . . . . . . . . 6690 1 5 '3D HNCA' no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 2 $500 . . . . . . . . . . . . . . . . 6690 1 6 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 2 $500 . . . . . . . . . . . . . . . . 6690 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 2 $500 . . . . . . . . . . . . . . . . 6690 1 8 '3D CBCANH' no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 2 $500 . . . . . . . . . . . . . . . . 6690 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 2 $500 . . . . . . . . . . . . . . . . 6690 1 10 '3D HBHANH' no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 2 $500 . . . . . . . . . . . . . . . . 6690 1 11 '3D HCCH COSY' no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 2 $500 . . . . . . . . . . . . . . . . 6690 1 12 '3D HCCH TOCSY' no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 2 $500 . . . . . . . . . . . . . . . . 6690 1 13 '3D 15N NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 2 $500 . . . . . . . . . . . . . . . . 6690 1 14 '3D 13C NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 2 $500 . . . . . . . . . . . . . . . . 6690 1 15 '2D (13C, 15N) Filtered NOESY' no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 2 $500 . . . . . . . . . . . . . . . . 6690 1 16 '3D (13C, 15N) Filtered 13C HSQC NOESY' no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 2 $500 . . . . . . . . . . . . . . . . 6690 1 stop_ save_ save_2D_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_NOESY _NMR_spec_expt.Entry_ID 6690 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 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 1 _NMR_spec_expt.NMR_spectrometer_label $800 _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 1 _NMR_spec_expt.Software_label $software_2 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_TOCSY _NMR_spec_expt.Entry_ID 6690 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 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 1 _NMR_spec_expt.NMR_spectrometer_label $800 _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 1 _NMR_spec_expt.Software_label $software_2 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_15N_HSQC _NMR_spec_expt.Entry_ID 6690 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 15N 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 1 _NMR_spec_expt.NMR_spectrometer_label $800 _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 1 _NMR_spec_expt.Software_label $software_2 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_13C_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_13C_HSQC _NMR_spec_expt.Entry_ID 6690 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D 13C 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 1 _NMR_spec_expt.NMR_spectrometer_label $800 _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 1 _NMR_spec_expt.Software_label $software_2 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCA _NMR_spec_expt.Entry_ID 6690 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HNCA' _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 2 _NMR_spec_expt.NMR_spectrometer_label $500 _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 1 _NMR_spec_expt.Software_label $software_2 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_HN(CO)CA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HN(CO)CA _NMR_spec_expt.Entry_ID 6690 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HN(CO)CA' _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 2 _NMR_spec_expt.NMR_spectrometer_label $500 _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 1 _NMR_spec_expt.Software_label $software_2 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_CBCA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_CBCA(CO)NH _NMR_spec_expt.Entry_ID 6690 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D CBCA(CO)NH' _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 2 _NMR_spec_expt.NMR_spectrometer_label $500 _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 1 _NMR_spec_expt.Software_label $software_2 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_CBCANH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_CBCANH _NMR_spec_expt.Entry_ID 6690 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D CBCANH' _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 2 _NMR_spec_expt.NMR_spectrometer_label $500 _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 1 _NMR_spec_expt.Software_label $software_2 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_HBHA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HBHA(CO)NH _NMR_spec_expt.Entry_ID 6690 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D HBHA(CO)NH' _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 2 _NMR_spec_expt.NMR_spectrometer_label $500 _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 1 _NMR_spec_expt.Software_label $software_2 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_HBHANH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HBHANH _NMR_spec_expt.Entry_ID 6690 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D HBHANH' _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 2 _NMR_spec_expt.NMR_spectrometer_label $500 _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 1 _NMR_spec_expt.Software_label $software_2 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_HCCH_COSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HCCH_COSY _NMR_spec_expt.Entry_ID 6690 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D HCCH 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 2 _NMR_spec_expt.NMR_spectrometer_label $500 _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 1 _NMR_spec_expt.Software_label $software_2 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_HCCH_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HCCH_TOCSY _NMR_spec_expt.Entry_ID 6690 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D HCCH 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 2 _NMR_spec_expt.NMR_spectrometer_label $500 _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 1 _NMR_spec_expt.Software_label $software_2 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N_NOESY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N_NOESY-HSQC _NMR_spec_expt.Entry_ID 6690 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D 15N NOESY-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 2 _NMR_spec_expt.NMR_spectrometer_label $500 _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 1 _NMR_spec_expt.Software_label $software_2 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_13C_NOESY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C_NOESY-HSQC _NMR_spec_expt.Entry_ID 6690 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '3D 13C NOESY-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 2 _NMR_spec_expt.NMR_spectrometer_label $500 _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 1 _NMR_spec_expt.Software_label $software_2 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_(13C_15N)_Filtered_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_(13C_15N)_Filtered_NOESY _NMR_spec_expt.Entry_ID 6690 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '2D (13C, 15N) Filtered 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 2 _NMR_spec_expt.NMR_spectrometer_label $500 _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 1 _NMR_spec_expt.Software_label $software_2 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_(13C_15N)_Filtered_13C_HSQC_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_(13C_15N)_Filtered_13C_HSQC_NOESY _NMR_spec_expt.Entry_ID 6690 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name '3D (13C, 15N) Filtered 13C 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 2 _NMR_spec_expt.NMR_spectrometer_label $500 _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 1 _NMR_spec_expt.Software_label $software_2 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6690 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6690 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6690 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6690 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6690 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 . . 2 $sample_2 isotropic 6690 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 8 8 ILE H H 1 7.860 0.01 . 1 . . . . 18 ILE H . 6690 1 2 . 1 1 8 8 ILE CA C 13 63.969 0.2 . 1 . . . . 18 ILE CA . 6690 1 3 . 1 1 8 8 ILE N N 15 120.235 0.2 . 1 . . . . 18 ILE N . 6690 1 4 . 1 1 9 9 GLU HA H 1 3.998 0.01 . 1 . . . . 19 GLU HA . 6690 1 5 . 1 1 9 9 GLU HB2 H 1 1.975 0.01 . 2 . . . . 19 GLU HB2 . 6690 1 6 . 1 1 10 10 TYR H H 1 7.938 0.01 . 1 . . . . 20 TYR H . 6690 1 7 . 1 1 10 10 TYR CA C 13 60.889 0.2 . 1 . . . . 20 TYR CA . 6690 1 8 . 1 1 10 10 TYR CB C 13 38.301 0.2 . 1 . . . . 20 TYR CB . 6690 1 9 . 1 1 10 10 TYR N N 15 120.884 0.2 . 1 . . . . 20 TYR N . 6690 1 10 . 1 1 11 11 TYR H H 1 8.151 0.01 . 1 . . . . 21 TYR H . 6690 1 11 . 1 1 11 11 TYR CA C 13 60.486 0.2 . 1 . . . . 21 TYR CA . 6690 1 12 . 1 1 11 11 TYR N N 15 118.875 0.2 . 1 . . . . 21 TYR N . 6690 1 13 . 1 1 12 12 LYS H H 1 8.028 0.01 . 1 . . . . 22 LYS H . 6690 1 14 . 1 1 12 12 LYS CA C 13 58.731 0.2 . 1 . . . . 22 LYS CA . 6690 1 15 . 1 1 12 12 LYS N N 15 120.763 0.2 . 1 . . . . 22 LYS N . 6690 1 16 . 1 1 13 13 GLN H H 1 8.098 0.01 . 1 . . . . 23 GLN H . 6690 1 17 . 1 1 13 13 GLN HA H 1 4.052 0.01 . 1 . . . . 23 GLN HA . 6690 1 18 . 1 1 13 13 GLN HB2 H 1 1.995 0.01 . 2 . . . . 23 GLN HB2 . 6690 1 19 . 1 1 13 13 GLN CA C 13 57.718 0.2 . 1 . . . . 23 GLN CA . 6690 1 20 . 1 1 13 13 GLN CB C 13 32.488 0.2 . 1 . . . . 23 GLN CB . 6690 1 21 . 1 1 13 13 GLN N N 15 119.116 0.2 . 1 . . . . 23 GLN N . 6690 1 22 . 1 1 14 14 MET H H 1 7.856 0.01 . 1 . . . . 24 MET H . 6690 1 23 . 1 1 14 14 MET CA C 13 56.026 0.2 . 1 . . . . 24 MET CA . 6690 1 24 . 1 1 14 14 MET N N 15 117.606 0.2 . 1 . . . . 24 MET N . 6690 1 25 . 1 1 15 15 GLY H H 1 8.011 0.01 . 1 . . . . 25 GLY H . 6690 1 26 . 1 1 15 15 GLY CA C 13 45.698 0.2 . 1 . . . . 25 GLY CA . 6690 1 27 . 1 1 15 15 GLY N N 15 108.578 0.2 . 1 . . . . 25 GLY N . 6690 1 28 . 1 1 16 16 SER H H 1 8.105 0.01 . 1 . . . . 26 SER H . 6690 1 29 . 1 1 16 16 SER CA C 13 58.575 0.2 . 1 . . . . 26 SER CA . 6690 1 30 . 1 1 16 16 SER N N 15 115.843 0.2 . 1 . . . . 26 SER N . 6690 1 31 . 1 1 17 17 HIS H H 1 8.154 0.01 . 1 . . . . 27 HIS H . 6690 1 32 . 1 1 17 17 HIS N N 15 120.044 0.2 . 1 . . . . 27 HIS N . 6690 1 33 . 1 1 18 18 ARG H H 1 8.241 0.01 . 1 . . . . 28 ARG H . 6690 1 34 . 1 1 18 18 ARG CA C 13 57.123 0.2 . 1 . . . . 28 ARG CA . 6690 1 35 . 1 1 18 18 ARG N N 15 121.096 0.2 . 1 . . . . 28 ARG N . 6690 1 36 . 1 1 19 19 GLU H H 1 8.323 0.01 . 1 . . . . 29 GLU H . 6690 1 37 . 1 1 19 19 GLU CA C 13 58.544 0.2 . 1 . . . . 29 GLU CA . 6690 1 38 . 1 1 19 19 GLU N N 15 121.122 0.2 . 1 . . . . 29 GLU N . 6690 1 39 . 1 1 20 20 ALA H H 1 8.097 0.01 . 1 . . . . 30 ALA H . 6690 1 40 . 1 1 20 20 ALA CA C 13 54.368 0.2 . 1 . . . . 30 ALA CA . 6690 1 41 . 1 1 20 20 ALA N N 15 122.303 0.2 . 1 . . . . 30 ALA N . 6690 1 42 . 1 1 21 21 GLU H H 1 8.153 0.01 . 1 . . . . 31 GLU H . 6690 1 43 . 1 1 21 21 GLU CA C 13 58.271 0.2 . 1 . . . . 31 GLU CA . 6690 1 44 . 1 1 21 21 GLU N N 15 118.611 0.2 . 1 . . . . 31 GLU N . 6690 1 45 . 1 1 22 22 MET H H 1 8.025 0.01 . 1 . . . . 32 MET H . 6690 1 46 . 1 1 22 22 MET CA C 13 57.438 0.2 . 1 . . . . 32 MET CA . 6690 1 47 . 1 1 22 22 MET N N 15 119.820 0.2 . 1 . . . . 32 MET N . 6690 1 48 . 1 1 23 23 ILE H H 1 7.948 0.01 . 1 . . . . 33 ILE H . 6690 1 49 . 1 1 23 23 ILE CA C 13 63.386 0.2 . 1 . . . . 33 ILE CA . 6690 1 50 . 1 1 23 23 ILE N N 15 121.205 0.2 . 1 . . . . 33 ILE N . 6690 1 51 . 1 1 24 24 GLU H H 1 8.179 0.01 . 1 . . . . 34 GLU H . 6690 1 52 . 1 1 24 24 GLU CA C 13 54.252 0.2 . 1 . . . . 34 GLU CA . 6690 1 53 . 1 1 24 24 GLU N N 15 121.818 0.2 . 1 . . . . 34 GLU N . 6690 1 54 . 1 1 25 25 GLN H H 1 8.209 0.01 . 1 . . . . 35 GLN H . 6690 1 55 . 1 1 25 25 GLN CA C 13 57.994 0.2 . 1 . . . . 35 GLN CA . 6690 1 56 . 1 1 25 25 GLN N N 15 118.662 0.2 . 1 . . . . 35 GLN N . 6690 1 57 . 1 1 26 26 GLN H H 1 8.113 0.01 . 1 . . . . 36 GLN H . 6690 1 58 . 1 1 26 26 GLN CA C 13 57.817 0.2 . 1 . . . . 36 GLN CA . 6690 1 59 . 1 1 26 26 GLN N N 15 120.023 0.2 . 1 . . . . 36 GLN N . 6690 1 60 . 1 1 27 27 MET H H 1 8.215 0.01 . 1 . . . . 37 MET H . 6690 1 61 . 1 1 27 27 MET CA C 13 57.176 0.2 . 1 . . . . 37 MET CA . 6690 1 62 . 1 1 27 27 MET N N 15 119.690 0.2 . 1 . . . . 37 MET N . 6690 1 63 . 1 1 28 28 LYS H H 1 8.005 0.01 . 1 . . . . 38 LYS H . 6690 1 64 . 1 1 28 28 LYS CA C 13 57.878 0.2 . 1 . . . . 38 LYS CA . 6690 1 65 . 1 1 28 28 LYS CB C 13 32.422 0.2 . 1 . . . . 38 LYS CB . 6690 1 66 . 1 1 28 28 LYS N N 15 120.609 0.2 . 1 . . . . 38 LYS N . 6690 1 67 . 1 1 29 29 ALA H H 1 7.919 0.01 . 1 . . . . 39 ALA H . 6690 1 68 . 1 1 29 29 ALA CA C 13 53.412 0.2 . 1 . . . . 39 ALA CA . 6690 1 69 . 1 1 29 29 ALA CB C 13 18.574 0.2 . 1 . . . . 39 ALA CB . 6690 1 70 . 1 1 29 29 ALA N N 15 122.784 0.2 . 1 . . . . 39 ALA N . 6690 1 71 . 1 1 30 30 LYS H H 1 7.940 0.01 . 1 . . . . 40 LYS H . 6690 1 72 . 1 1 30 30 LYS CA C 13 57.088 0.2 . 1 . . . . 40 LYS CA . 6690 1 73 . 1 1 30 30 LYS CB C 13 32.683 0.2 . 1 . . . . 40 LYS CB . 6690 1 74 . 1 1 30 30 LYS N N 15 119.239 0.2 . 1 . . . . 40 LYS N . 6690 1 75 . 1 1 31 31 GLN H H 1 8.074 0.01 . 1 . . . . 41 GLN H . 6690 1 76 . 1 1 31 31 GLN CA C 13 56.154 0.2 . 1 . . . . 41 GLN CA . 6690 1 77 . 1 1 31 31 GLN CB C 13 29.040 0.2 . 1 . . . . 41 GLN CB . 6690 1 78 . 1 1 31 31 GLN N N 15 120.191 0.2 . 1 . . . . 41 GLN N . 6690 1 79 . 1 1 32 32 ALA H H 1 8.193 0.01 . 1 . . . . 42 ALA H . 6690 1 80 . 1 1 32 32 ALA CA C 13 52.837 0.2 . 1 . . . . 42 ALA CA . 6690 1 81 . 1 1 32 32 ALA CB C 13 18.972 0.2 . 1 . . . . 42 ALA CB . 6690 1 82 . 1 1 32 32 ALA N N 15 124.505 0.2 . 1 . . . . 42 ALA N . 6690 1 83 . 1 1 33 33 GLY H H 1 8.273 0.01 . 1 . . . . 43 GLY H . 6690 1 84 . 1 1 33 33 GLY N N 15 107.968 0.2 . 1 . . . . 43 GLY N . 6690 1 85 . 1 1 34 34 GLY H H 1 8.215 0.01 . 1 . . . . 44 GLY H . 6690 1 86 . 1 1 34 34 GLY N N 15 108.751 0.2 . 1 . . . . 44 GLY N . 6690 1 87 . 1 1 61 61 GLY H H 1 8.147 0.01 . 1 . . . . 71 GLY H . 6690 1 88 . 1 1 61 61 GLY HA2 H 1 3.903 0.01 . 1 . . . . 71 GLY HA . 6690 1 89 . 1 1 61 61 GLY HA3 H 1 3.903 0.01 . 1 . . . . 71 GLY HA . 6690 1 90 . 1 1 61 61 GLY CA C 13 44.956 0.2 . 1 . . . . 71 GLY CA . 6690 1 91 . 1 1 61 61 GLY N N 15 123.800 0.2 . 1 . . . . 71 GLY N . 6690 1 92 . 1 1 62 62 ALA H H 1 8.160 0.01 . 1 . . . . 72 ALA H . 6690 1 93 . 1 1 62 62 ALA HA H 1 4.155 0.01 . 1 . . . . 72 ALA HA . 6690 1 94 . 1 1 62 62 ALA HB1 H 1 1.194 0.01 . 1 . . . . 72 ALA HB . 6690 1 95 . 1 1 62 62 ALA HB2 H 1 1.194 0.01 . 1 . . . . 72 ALA HB . 6690 1 96 . 1 1 62 62 ALA HB3 H 1 1.194 0.01 . 1 . . . . 72 ALA HB . 6690 1 97 . 1 1 62 62 ALA CA C 13 52.199 0.2 . 1 . . . . 72 ALA CA . 6690 1 98 . 1 1 62 62 ALA CB C 13 19.955 0.2 . 1 . . . . 72 ALA CB . 6690 1 99 . 1 1 62 62 ALA N N 15 123.737 0.2 . 1 . . . . 72 ALA N . 6690 1 100 . 1 1 63 63 ASP H H 1 8.042 0.01 . 1 . . . . 73 ASP H . 6690 1 101 . 1 1 63 63 ASP HA H 1 4.641 0.01 . 1 . . . . 73 ASP HA . 6690 1 102 . 1 1 63 63 ASP HB2 H 1 2.569 0.01 . 2 . . . . 73 ASP HB2 . 6690 1 103 . 1 1 63 63 ASP HB3 H 1 2.673 0.01 . 2 . . . . 73 ASP HB3 . 6690 1 104 . 1 1 63 63 ASP CA C 13 53.800 0.2 . 1 . . . . 73 ASP CA . 6690 1 105 . 1 1 63 63 ASP CB C 13 42.491 0.2 . 1 . . . . 73 ASP CB . 6690 1 106 . 1 1 63 63 ASP N N 15 118.695 0.2 . 1 . . . . 73 ASP N . 6690 1 107 . 1 1 64 64 TYR H H 1 8.904 0.01 . 1 . . . . 74 TYR H . 6690 1 108 . 1 1 64 64 TYR HA H 1 5.065 0.01 . 1 . . . . 74 TYR HA . 6690 1 109 . 1 1 64 64 TYR HB2 H 1 2.899 0.01 . 2 . . . . 74 TYR HB2 . 6690 1 110 . 1 1 64 64 TYR HB3 H 1 3.494 0.01 . 2 . . . . 74 TYR HB3 . 6690 1 111 . 1 1 64 64 TYR HD1 H 1 6.901 0.01 . 1 . . . . 74 TYR HD1 . 6690 1 112 . 1 1 64 64 TYR HD2 H 1 6.901 0.01 . 1 . . . . 74 TYR HD2 . 6690 1 113 . 1 1 64 64 TYR HE1 H 1 6.712 0.01 . 1 . . . . 74 TYR HE1 . 6690 1 114 . 1 1 64 64 TYR CA C 13 58.000 0.2 . 1 . . . . 74 TYR CA . 6690 1 115 . 1 1 64 64 TYR CB C 13 38.202 0.2 . 1 . . . . 74 TYR CB . 6690 1 116 . 1 1 64 64 TYR CD1 C 13 133.047 0.2 . 1 . . . . 74 TYR CD1 . 6690 1 117 . 1 1 64 64 TYR CD2 C 13 133.047 0.2 . 1 . . . . 74 TYR CD2 . 6690 1 118 . 1 1 64 64 TYR CE1 C 13 118.149 0.2 . 1 . . . . 74 TYR CE1 . 6690 1 119 . 1 1 64 64 TYR CE2 C 13 118.149 0.2 . 1 . . . . 74 TYR CE2 . 6690 1 120 . 1 1 64 64 TYR N N 15 122.600 0.2 . 1 . . . . 74 TYR N . 6690 1 121 . 1 1 65 65 SER H H 1 8.784 0.01 . 1 . . . . 75 SER H . 6690 1 122 . 1 1 65 65 SER HA H 1 3.752 0.01 . 1 . . . . 75 SER HA . 6690 1 123 . 1 1 65 65 SER HB2 H 1 3.556 0.01 . 2 . . . . 75 SER HB2 . 6690 1 124 . 1 1 65 65 SER HB3 H 1 3.758 0.01 . 2 . . . . 75 SER HB3 . 6690 1 125 . 1 1 65 65 SER CA C 13 64.858 0.2 . 1 . . . . 75 SER CA . 6690 1 126 . 1 1 65 65 SER CB C 13 62.778 0.2 . 1 . . . . 75 SER CB . 6690 1 127 . 1 1 65 65 SER N N 15 120.113 0.2 . 1 . . . . 75 SER N . 6690 1 128 . 1 1 66 66 ALA H H 1 8.889 0.01 . 1 . . . . 76 ALA H . 6690 1 129 . 1 1 66 66 ALA HA H 1 3.894 0.01 . 1 . . . . 76 ALA HA . 6690 1 130 . 1 1 66 66 ALA HB1 H 1 1.346 0.01 . 1 . . . . 76 ALA HB . 6690 1 131 . 1 1 66 66 ALA HB2 H 1 1.346 0.01 . 1 . . . . 76 ALA HB . 6690 1 132 . 1 1 66 66 ALA HB3 H 1 1.346 0.01 . 1 . . . . 76 ALA HB . 6690 1 133 . 1 1 66 66 ALA CA C 13 55.700 0.2 . 1 . . . . 76 ALA CA . 6690 1 134 . 1 1 66 66 ALA CB C 13 17.700 0.2 . 1 . . . . 76 ALA CB . 6690 1 135 . 1 1 66 66 ALA N N 15 123.000 0.2 . 1 . . . . 76 ALA N . 6690 1 136 . 1 1 67 67 GLN H H 1 8.245 0.01 . 1 . . . . 77 GLN H . 6690 1 137 . 1 1 67 67 GLN HA H 1 4.070 0.01 . 1 . . . . 77 GLN HA . 6690 1 138 . 1 1 67 67 GLN HB2 H 1 1.897 0.01 . 2 . . . . 77 GLN HB2 . 6690 1 139 . 1 1 67 67 GLN HB3 H 1 2.265 0.01 . 2 . . . . 77 GLN HB3 . 6690 1 140 . 1 1 67 67 GLN HG2 H 1 2.463 0.01 . 2 . . . . 77 GLN HG2 . 6690 1 141 . 1 1 67 67 GLN HG3 H 1 2.629 0.01 . 2 . . . . 77 GLN HG3 . 6690 1 142 . 1 1 67 67 GLN CA C 13 60.000 0.2 . 1 . . . . 77 GLN CA . 6690 1 143 . 1 1 67 67 GLN CB C 13 27.295 0.2 . 1 . . . . 77 GLN CB . 6690 1 144 . 1 1 67 67 GLN CG C 13 35.198 0.2 . 1 . . . . 77 GLN CG . 6690 1 145 . 1 1 67 67 GLN N N 15 118.805 0.2 . 1 . . . . 77 GLN N . 6690 1 146 . 1 1 68 68 TRP H H 1 8.801 0.01 . 1 . . . . 78 TRP H . 6690 1 147 . 1 1 68 68 TRP HA H 1 3.795 0.01 . 1 . . . . 78 TRP HA . 6690 1 148 . 1 1 68 68 TRP HB2 H 1 2.704 0.01 . 2 . . . . 78 TRP HB2 . 6690 1 149 . 1 1 68 68 TRP HB3 H 1 2.925 0.01 . 2 . . . . 78 TRP HB3 . 6690 1 150 . 1 1 68 68 TRP HE3 H 1 6.849 0.01 . 1 . . . . 78 TRP HE3 . 6690 1 151 . 1 1 68 68 TRP HZ2 H 1 7.098 0.01 . 1 . . . . 78 TRP HZ2 . 6690 1 152 . 1 1 68 68 TRP HZ3 H 1 6.898 0.01 . 1 . . . . 78 TRP HZ3 . 6690 1 153 . 1 1 68 68 TRP HH2 H 1 7.026 0.01 . 1 . . . . 78 TRP HH2 . 6690 1 154 . 1 1 68 68 TRP CA C 13 62.230 0.2 . 1 . . . . 78 TRP CA . 6690 1 155 . 1 1 68 68 TRP CB C 13 27.803 0.2 . 1 . . . . 78 TRP CB . 6690 1 156 . 1 1 68 68 TRP CE3 C 13 120.280 0.2 . 1 . . . . 78 TRP CE3 . 6690 1 157 . 1 1 68 68 TRP CZ2 C 13 114.530 0.2 . 1 . . . . 78 TRP CZ2 . 6690 1 158 . 1 1 68 68 TRP CZ3 C 13 122.590 0.2 . 1 . . . . 78 TRP CZ3 . 6690 1 159 . 1 1 68 68 TRP CH2 C 13 124.287 0.2 . 1 . . . . 78 TRP CH2 . 6690 1 160 . 1 1 68 68 TRP N N 15 123.302 0.2 . 1 . . . . 78 TRP N . 6690 1 161 . 1 1 69 69 ALA H H 1 8.278 0.01 . 1 . . . . 79 ALA H . 6690 1 162 . 1 1 69 69 ALA HA H 1 4.177 0.01 . 1 . . . . 79 ALA HA . 6690 1 163 . 1 1 69 69 ALA HB1 H 1 1.637 0.01 . 1 . . . . 79 ALA HB . 6690 1 164 . 1 1 69 69 ALA HB2 H 1 1.637 0.01 . 1 . . . . 79 ALA HB . 6690 1 165 . 1 1 69 69 ALA HB3 H 1 1.637 0.01 . 1 . . . . 79 ALA HB . 6690 1 166 . 1 1 69 69 ALA CA C 13 56.900 0.2 . 1 . . . . 79 ALA CA . 6690 1 167 . 1 1 69 69 ALA CB C 13 17.380 0.2 . 1 . . . . 79 ALA CB . 6690 1 168 . 1 1 69 69 ALA N N 15 121.927 0.2 . 1 . . . . 79 ALA N . 6690 1 169 . 1 1 70 70 GLU H H 1 7.409 0.01 . 1 . . . . 80 GLU H . 6690 1 170 . 1 1 70 70 GLU HA H 1 3.921 0.01 . 1 . . . . 80 GLU HA . 6690 1 171 . 1 1 70 70 GLU HB2 H 1 2.045 0.01 . 2 . . . . 80 GLU HB2 . 6690 1 172 . 1 1 70 70 GLU HG2 H 1 2.159 0.01 . 2 . . . . 80 GLU HG2 . 6690 1 173 . 1 1 70 70 GLU HG3 H 1 2.346 0.01 . 2 . . . . 80 GLU HG3 . 6690 1 174 . 1 1 70 70 GLU CA C 13 59.407 0.2 . 1 . . . . 80 GLU CA . 6690 1 175 . 1 1 70 70 GLU CG C 13 36.252 0.2 . 1 . . . . 80 GLU CG . 6690 1 176 . 1 1 70 70 GLU N N 15 116.630 0.2 . 1 . . . . 80 GLU N . 6690 1 177 . 1 1 71 71 TYR H H 1 8.273 0.01 . 1 . . . . 81 TYR H . 6690 1 178 . 1 1 71 71 TYR HA H 1 3.940 0.01 . 1 . . . . 81 TYR HA . 6690 1 179 . 1 1 71 71 TYR HB2 H 1 2.657 0.01 . 2 . . . . 81 TYR HB2 . 6690 1 180 . 1 1 71 71 TYR HD1 H 1 6.511 0.01 . 1 . . . . 81 TYR HD1 . 6690 1 181 . 1 1 71 71 TYR HD2 H 1 6.511 0.01 . 1 . . . . 81 TYR HD2 . 6690 1 182 . 1 1 71 71 TYR HE1 H 1 6.576 0.01 . 1 . . . . 81 TYR HE1 . 6690 1 183 . 1 1 71 71 TYR HE2 H 1 6.576 0.01 . 1 . . . . 81 TYR HE2 . 6690 1 184 . 1 1 71 71 TYR CA C 13 61.340 0.2 . 1 . . . . 81 TYR CA . 6690 1 185 . 1 1 71 71 TYR CB C 13 37.779 0.2 . 1 . . . . 81 TYR CB . 6690 1 186 . 1 1 71 71 TYR CD1 C 13 133.228 0.2 . 1 . . . . 81 TYR CD1 . 6690 1 187 . 1 1 71 71 TYR CD2 C 13 133.228 0.2 . 1 . . . . 81 TYR CD2 . 6690 1 188 . 1 1 71 71 TYR CE1 C 13 117.838 0.2 . 1 . . . . 81 TYR CE1 . 6690 1 189 . 1 1 71 71 TYR CE2 C 13 117.838 0.2 . 1 . . . . 81 TYR CE2 . 6690 1 190 . 1 1 71 71 TYR N N 15 122.306 0.2 . 1 . . . . 81 TYR N . 6690 1 191 . 1 1 72 72 TYR H H 1 9.309 0.01 . 1 . . . . 82 TYR H . 6690 1 192 . 1 1 72 72 TYR HA H 1 4.288 0.01 . 1 . . . . 82 TYR HA . 6690 1 193 . 1 1 72 72 TYR HB2 H 1 2.968 0.01 . 2 . . . . 82 TYR HB2 . 6690 1 194 . 1 1 72 72 TYR HB3 H 1 3.774 0.01 . 2 . . . . 82 TYR HB3 . 6690 1 195 . 1 1 72 72 TYR HD1 H 1 6.935 0.01 . 1 . . . . 82 TYR HD1 . 6690 1 196 . 1 1 72 72 TYR HD2 H 1 6.935 0.01 . 1 . . . . 82 TYR HD2 . 6690 1 197 . 1 1 72 72 TYR HE1 H 1 7.061 0.01 . 1 . . . . 82 TYR HE1 . 6690 1 198 . 1 1 72 72 TYR CA C 13 59.458 0.2 . 1 . . . . 82 TYR CA . 6690 1 199 . 1 1 72 72 TYR CB C 13 36.100 0.2 . 1 . . . . 82 TYR CB . 6690 1 200 . 1 1 72 72 TYR CD1 C 13 132.258 0.2 . 1 . . . . 82 TYR CD1 . 6690 1 201 . 1 1 72 72 TYR CD2 C 13 132.258 0.2 . 1 . . . . 82 TYR CD2 . 6690 1 202 . 1 1 72 72 TYR CE1 C 13 118.314 0.2 . 1 . . . . 82 TYR CE1 . 6690 1 203 . 1 1 72 72 TYR CE2 C 13 118.314 0.2 . 1 . . . . 82 TYR CE2 . 6690 1 204 . 1 1 72 72 TYR N N 15 121.100 0.2 . 1 . . . . 82 TYR N . 6690 1 205 . 1 1 73 73 ARG H H 1 8.318 0.01 . 1 . . . . 83 ARG H . 6690 1 206 . 1 1 73 73 ARG HA H 1 3.648 0.01 . 1 . . . . 83 ARG HA . 6690 1 207 . 1 1 73 73 ARG HB2 H 1 1.749 0.01 . 1 . . . . 83 ARG HB2 . 6690 1 208 . 1 1 73 73 ARG HD2 H 1 2.989 0.01 . 2 . . . . 83 ARG HD2 . 6690 1 209 . 1 1 73 73 ARG HD3 H 1 3.125 0.01 . 2 . . . . 83 ARG HD3 . 6690 1 210 . 1 1 73 73 ARG CA C 13 61.160 0.2 . 1 . . . . 83 ARG CA . 6690 1 211 . 1 1 73 73 ARG CB C 13 29.591 0.2 . 1 . . . . 83 ARG CB . 6690 1 212 . 1 1 73 73 ARG CD C 13 42.598 0.2 . 1 . . . . 83 ARG CD . 6690 1 213 . 1 1 73 73 ARG N N 15 119.002 0.2 . 1 . . . . 83 ARG N . 6690 1 214 . 1 1 74 74 SER H H 1 7.975 0.01 . 1 . . . . 84 SER H . 6690 1 215 . 1 1 74 74 SER HA H 1 4.225 0.01 . 1 . . . . 84 SER HA . 6690 1 216 . 1 1 74 74 SER HB2 H 1 3.869 0.01 . 2 . . . . 84 SER HB2 . 6690 1 217 . 1 1 74 74 SER HB3 H 1 3.986 0.01 . 2 . . . . 84 SER HB3 . 6690 1 218 . 1 1 74 74 SER CA C 13 61.700 0.2 . 1 . . . . 84 SER CA . 6690 1 219 . 1 1 74 74 SER CB C 13 62.998 0.2 . 1 . . . . 84 SER CB . 6690 1 220 . 1 1 74 74 SER N N 15 117.799 0.2 . 1 . . . . 84 SER N . 6690 1 221 . 1 1 75 75 VAL H H 1 7.127 0.01 . 1 . . . . 85 VAL H . 6690 1 222 . 1 1 75 75 VAL HA H 1 4.566 0.01 . 1 . . . . 85 VAL HA . 6690 1 223 . 1 1 75 75 VAL HB H 1 2.451 0.01 . 1 . . . . 85 VAL HB . 6690 1 224 . 1 1 75 75 VAL HG11 H 1 0.602 0.01 . 2 . . . . 85 VAL HG1 . 6690 1 225 . 1 1 75 75 VAL HG12 H 1 0.602 0.01 . 2 . . . . 85 VAL HG1 . 6690 1 226 . 1 1 75 75 VAL HG13 H 1 0.602 0.01 . 2 . . . . 85 VAL HG1 . 6690 1 227 . 1 1 75 75 VAL HG21 H 1 0.731 0.01 . 2 . . . . 85 VAL HG2 . 6690 1 228 . 1 1 75 75 VAL HG22 H 1 0.731 0.01 . 2 . . . . 85 VAL HG2 . 6690 1 229 . 1 1 75 75 VAL HG23 H 1 0.731 0.01 . 2 . . . . 85 VAL HG2 . 6690 1 230 . 1 1 75 75 VAL CA C 13 60.703 0.2 . 1 . . . . 85 VAL CA . 6690 1 231 . 1 1 75 75 VAL CB C 13 31.093 0.2 . 1 . . . . 85 VAL CB . 6690 1 232 . 1 1 75 75 VAL CG1 C 13 21.000 0.2 . 2 . . . . 85 VAL CG1 . 6690 1 233 . 1 1 75 75 VAL CG2 C 13 18.213 0.2 . 2 . . . . 85 VAL CG2 . 6690 1 234 . 1 1 75 75 VAL N N 15 112.200 0.2 . 1 . . . . 85 VAL N . 6690 1 235 . 1 1 76 76 GLY H H 1 7.598 0.01 . 1 . . . . 86 GLY H . 6690 1 236 . 1 1 76 76 GLY HA2 H 1 3.655 0.01 . 2 . . . . 86 GLY HA2 . 6690 1 237 . 1 1 76 76 GLY HA3 H 1 4.189 0.01 . 2 . . . . 86 GLY HA3 . 6690 1 238 . 1 1 76 76 GLY CA C 13 46.200 0.2 . 1 . . . . 86 GLY CA . 6690 1 239 . 1 1 76 76 GLY N N 15 109.206 0.2 . 1 . . . . 86 GLY N . 6690 1 240 . 1 1 77 77 LYS H H 1 8.442 0.01 . 1 . . . . 87 LYS H . 6690 1 241 . 1 1 77 77 LYS HA H 1 4.508 0.01 . 1 . . . . 87 LYS HA . 6690 1 242 . 1 1 77 77 LYS HB2 H 1 1.464 0.01 . 2 . . . . 87 LYS HB2 . 6690 1 243 . 1 1 77 77 LYS HB3 H 1 1.798 0.01 . 2 . . . . 87 LYS HB3 . 6690 1 244 . 1 1 77 77 LYS CA C 13 54.992 0.2 . 1 . . . . 87 LYS CA . 6690 1 245 . 1 1 77 77 LYS CB C 13 30.634 0.2 . 1 . . . . 87 LYS CB . 6690 1 246 . 1 1 77 77 LYS N N 15 126.021 0.2 . 1 . . . . 87 LYS N . 6690 1 247 . 1 1 78 78 ILE H H 1 7.396 0.01 . 1 . . . . 88 ILE H . 6690 1 248 . 1 1 78 78 ILE HA H 1 3.403 0.01 . 1 . . . . 88 ILE HA . 6690 1 249 . 1 1 78 78 ILE HB H 1 1.875 0.01 . 1 . . . . 88 ILE HB . 6690 1 250 . 1 1 78 78 ILE HG12 H 1 1.312 0.01 . 2 . . . . 88 ILE HG12 . 6690 1 251 . 1 1 78 78 ILE HG13 H 1 1.419 0.01 . 2 . . . . 88 ILE HG13 . 6690 1 252 . 1 1 78 78 ILE HG21 H 1 0.827 0.01 . 1 . . . . 88 ILE HG2 . 6690 1 253 . 1 1 78 78 ILE HG22 H 1 0.827 0.01 . 1 . . . . 88 ILE HG2 . 6690 1 254 . 1 1 78 78 ILE HG23 H 1 0.827 0.01 . 1 . . . . 88 ILE HG2 . 6690 1 255 . 1 1 78 78 ILE HD11 H 1 0.797 0.01 . 1 . . . . 88 ILE HD1 . 6690 1 256 . 1 1 78 78 ILE HD12 H 1 0.797 0.01 . 1 . . . . 88 ILE HD1 . 6690 1 257 . 1 1 78 78 ILE HD13 H 1 0.797 0.01 . 1 . . . . 88 ILE HD1 . 6690 1 258 . 1 1 78 78 ILE CA C 13 63.900 0.2 . 1 . . . . 88 ILE CA . 6690 1 259 . 1 1 78 78 ILE CB C 13 36.629 0.2 . 1 . . . . 88 ILE CB . 6690 1 260 . 1 1 78 78 ILE CG1 C 13 28.432 0.2 . 1 . . . . 88 ILE CG1 . 6690 1 261 . 1 1 78 78 ILE CG2 C 13 17.858 0.2 . 1 . . . . 88 ILE CG2 . 6690 1 262 . 1 1 78 78 ILE CD1 C 13 11.250 0.2 . 1 . . . . 88 ILE CD1 . 6690 1 263 . 1 1 78 78 ILE N N 15 120.600 0.2 . 1 . . . . 88 ILE N . 6690 1 264 . 1 1 79 79 GLU H H 1 8.714 0.01 . 1 . . . . 89 GLU H . 6690 1 265 . 1 1 79 79 GLU HA H 1 3.921 0.01 . 1 . . . . 89 GLU HA . 6690 1 266 . 1 1 79 79 GLU HB2 H 1 1.828 0.01 . 2 . . . . 89 GLU HB2 . 6690 1 267 . 1 1 79 79 GLU HB3 H 1 1.879 0.01 . 2 . . . . 89 GLU HB3 . 6690 1 268 . 1 1 79 79 GLU HG2 H 1 2.208 0.01 . 2 . . . . 89 GLU HG2 . 6690 1 269 . 1 1 79 79 GLU CA C 13 60.165 0.2 . 1 . . . . 89 GLU CA . 6690 1 270 . 1 1 79 79 GLU CB C 13 28.648 0.2 . 1 . . . . 89 GLU CB . 6690 1 271 . 1 1 79 79 GLU CG C 13 36.629 0.2 . 1 . . . . 89 GLU CG . 6690 1 272 . 1 1 79 79 GLU N N 15 120.800 0.2 . 1 . . . . 89 GLU N . 6690 1 273 . 1 1 80 80 GLU H H 1 9.037 0.01 . 1 . . . . 90 GLU H . 6690 1 274 . 1 1 80 80 GLU HA H 1 3.747 0.01 . 1 . . . . 90 GLU HA . 6690 1 275 . 1 1 80 80 GLU HB2 H 1 0.968 0.01 . 2 . . . . 90 GLU HB2 . 6690 1 276 . 1 1 80 80 GLU HB3 H 1 1.373 0.01 . 2 . . . . 90 GLU HB3 . 6690 1 277 . 1 1 80 80 GLU HG2 H 1 1.967 0.01 . 2 . . . . 90 GLU HG2 . 6690 1 278 . 1 1 80 80 GLU CA C 13 60.299 0.2 . 1 . . . . 90 GLU CA . 6690 1 279 . 1 1 80 80 GLU CB C 13 27.500 0.2 . 1 . . . . 90 GLU CB . 6690 1 280 . 1 1 80 80 GLU CG C 13 37.770 0.2 . 1 . . . . 90 GLU CG . 6690 1 281 . 1 1 80 80 GLU N N 15 121.500 0.2 . 1 . . . . 90 GLU N . 6690 1 282 . 1 1 81 81 ALA H H 1 7.709 0.01 . 1 . . . . 91 ALA H . 6690 1 283 . 1 1 81 81 ALA HA H 1 4.128 0.01 . 1 . . . . 91 ALA HA . 6690 1 284 . 1 1 81 81 ALA HB1 H 1 1.641 0.01 . 1 . . . . 91 ALA HB . 6690 1 285 . 1 1 81 81 ALA HB2 H 1 1.641 0.01 . 1 . . . . 91 ALA HB . 6690 1 286 . 1 1 81 81 ALA HB3 H 1 1.641 0.01 . 1 . . . . 91 ALA HB . 6690 1 287 . 1 1 81 81 ALA CA C 13 55.958 0.2 . 1 . . . . 91 ALA CA . 6690 1 288 . 1 1 81 81 ALA CB C 13 20.058 0.2 . 1 . . . . 91 ALA CB . 6690 1 289 . 1 1 81 81 ALA N N 15 121.295 0.2 . 1 . . . . 91 ALA N . 6690 1 290 . 1 1 82 82 GLU H H 1 8.911 0.01 . 1 . . . . 92 GLU H . 6690 1 291 . 1 1 82 82 GLU HA H 1 3.904 0.01 . 1 . . . . 92 GLU HA . 6690 1 292 . 1 1 82 82 GLU HB2 H 1 1.854 0.01 . 2 . . . . 92 GLU HB2 . 6690 1 293 . 1 1 82 82 GLU HB3 H 1 2.090 0.01 . 2 . . . . 92 GLU HB3 . 6690 1 294 . 1 1 82 82 GLU HG2 H 1 2.092 0.01 . 2 . . . . 92 GLU HG2 . 6690 1 295 . 1 1 82 82 GLU HG3 H 1 2.525 0.01 . 2 . . . . 92 GLU HG3 . 6690 1 296 . 1 1 82 82 GLU CA C 13 59.400 0.2 . 1 . . . . 92 GLU CA . 6690 1 297 . 1 1 82 82 GLU CB C 13 29.342 0.2 . 1 . . . . 92 GLU CB . 6690 1 298 . 1 1 82 82 GLU CG C 13 37.304 0.2 . 1 . . . . 92 GLU CG . 6690 1 299 . 1 1 82 82 GLU N N 15 117.700 0.2 . 1 . . . . 92 GLU N . 6690 1 300 . 1 1 83 83 ALA H H 1 7.763 0.01 . 1 . . . . 93 ALA H . 6690 1 301 . 1 1 83 83 ALA HA H 1 4.064 0.01 . 1 . . . . 93 ALA HA . 6690 1 302 . 1 1 83 83 ALA HB1 H 1 1.442 0.01 . 1 . . . . 93 ALA HB . 6690 1 303 . 1 1 83 83 ALA HB2 H 1 1.442 0.01 . 1 . . . . 93 ALA HB . 6690 1 304 . 1 1 83 83 ALA HB3 H 1 1.442 0.01 . 1 . . . . 93 ALA HB . 6690 1 305 . 1 1 83 83 ALA CA C 13 55.000 0.2 . 1 . . . . 93 ALA CA . 6690 1 306 . 1 1 83 83 ALA CB C 13 17.792 0.2 . 1 . . . . 93 ALA CB . 6690 1 307 . 1 1 83 83 ALA N N 15 120.700 0.2 . 1 . . . . 93 ALA N . 6690 1 308 . 1 1 84 84 ILE H H 1 7.264 0.01 . 1 . . . . 94 ILE H . 6690 1 309 . 1 1 84 84 ILE HA H 1 3.750 0.01 . 1 . . . . 94 ILE HA . 6690 1 310 . 1 1 84 84 ILE HB H 1 1.916 0.01 . 1 . . . . 94 ILE HB . 6690 1 311 . 1 1 84 84 ILE HG12 H 1 0.863 0.01 . 2 . . . . 94 ILE HG12 . 6690 1 312 . 1 1 84 84 ILE HG13 H 1 1.923 0.01 . 2 . . . . 94 ILE HG13 . 6690 1 313 . 1 1 84 84 ILE HG21 H 1 0.757 0.01 . 1 . . . . 94 ILE HG2 . 6690 1 314 . 1 1 84 84 ILE HG22 H 1 0.757 0.01 . 1 . . . . 94 ILE HG2 . 6690 1 315 . 1 1 84 84 ILE HG23 H 1 0.757 0.01 . 1 . . . . 94 ILE HG2 . 6690 1 316 . 1 1 84 84 ILE HD11 H 1 0.852 0.01 . 1 . . . . 94 ILE HD1 . 6690 1 317 . 1 1 84 84 ILE HD12 H 1 0.852 0.01 . 1 . . . . 94 ILE HD1 . 6690 1 318 . 1 1 84 84 ILE HD13 H 1 0.852 0.01 . 1 . . . . 94 ILE HD1 . 6690 1 319 . 1 1 84 84 ILE CA C 13 64.630 0.2 . 1 . . . . 94 ILE CA . 6690 1 320 . 1 1 84 84 ILE CB C 13 39.098 0.2 . 1 . . . . 94 ILE CB . 6690 1 321 . 1 1 84 84 ILE CG1 C 13 28.442 0.2 . 1 . . . . 94 ILE CG1 . 6690 1 322 . 1 1 84 84 ILE CG2 C 13 18.040 0.2 . 1 . . . . 94 ILE CG2 . 6690 1 323 . 1 1 84 84 ILE CD1 C 13 14.860 0.2 . 1 . . . . 94 ILE CD1 . 6690 1 324 . 1 1 84 84 ILE N N 15 118.200 0.2 . 1 . . . . 94 ILE N . 6690 1 325 . 1 1 85 85 GLU H H 1 8.762 0.01 . 1 . . . . 95 GLU H . 6690 1 326 . 1 1 85 85 GLU HA H 1 3.721 0.01 . 1 . . . . 95 GLU HA . 6690 1 327 . 1 1 85 85 GLU HB2 H 1 1.896 0.01 . 2 . . . . 95 GLU HB2 . 6690 1 328 . 1 1 85 85 GLU HB3 H 1 2.078 0.01 . 2 . . . . 95 GLU HB3 . 6690 1 329 . 1 1 85 85 GLU HG2 H 1 2.195 0.01 . 2 . . . . 95 GLU HG2 . 6690 1 330 . 1 1 85 85 GLU HG3 H 1 2.393 0.01 . 2 . . . . 95 GLU HG3 . 6690 1 331 . 1 1 85 85 GLU CA C 13 59.600 0.2 . 1 . . . . 95 GLU CA . 6690 1 332 . 1 1 85 85 GLU CG C 13 36.221 0.2 . 1 . . . . 95 GLU CG . 6690 1 333 . 1 1 85 85 GLU N N 15 120.500 0.2 . 1 . . . . 95 GLU N . 6690 1 334 . 1 1 86 86 LYS H H 1 8.074 0.01 . 1 . . . . 96 LYS H . 6690 1 335 . 1 1 86 86 LYS HA H 1 4.064 0.01 . 1 . . . . 96 LYS HA . 6690 1 336 . 1 1 86 86 LYS HB2 H 1 1.872 0.01 . 2 . . . . 96 LYS HB2 . 6690 1 337 . 1 1 86 86 LYS CA C 13 59.200 0.2 . 1 . . . . 96 LYS CA . 6690 1 338 . 1 1 86 86 LYS CB C 13 32.600 0.2 . 1 . . . . 96 LYS CB . 6690 1 339 . 1 1 86 86 LYS N N 15 117.700 0.2 . 1 . . . . 96 LYS N . 6690 1 340 . 1 1 87 87 THR H H 1 7.629 0.01 . 1 . . . . 97 THR H . 6690 1 341 . 1 1 87 87 THR HA H 1 4.261 0.01 . 1 . . . . 97 THR HA . 6690 1 342 . 1 1 87 87 THR HB H 1 4.426 0.01 . 1 . . . . 97 THR HB . 6690 1 343 . 1 1 87 87 THR HG21 H 1 1.254 0.01 . 1 . . . . 97 THR HG2 . 6690 1 344 . 1 1 87 87 THR HG22 H 1 1.254 0.01 . 1 . . . . 97 THR HG2 . 6690 1 345 . 1 1 87 87 THR HG23 H 1 1.254 0.01 . 1 . . . . 97 THR HG2 . 6690 1 346 . 1 1 87 87 THR CA C 13 63.700 0.2 . 1 . . . . 97 THR CA . 6690 1 347 . 1 1 87 87 THR CB C 13 69.513 0.2 . 1 . . . . 97 THR CB . 6690 1 348 . 1 1 87 87 THR CG2 C 13 21.899 0.2 . 1 . . . . 97 THR CG2 . 6690 1 349 . 1 1 87 87 THR N N 15 111.197 0.2 . 1 . . . . 97 THR N . 6690 1 350 . 1 1 88 88 LEU H H 1 7.623 0.01 . 1 . . . . 98 LEU H . 6690 1 351 . 1 1 88 88 LEU HA H 1 4.142 0.01 . 1 . . . . 98 LEU HA . 6690 1 352 . 1 1 88 88 LEU HB2 H 1 1.500 0.01 . 2 . . . . 98 LEU HB2 . 6690 1 353 . 1 1 88 88 LEU HB3 H 1 1.750 0.01 . 2 . . . . 98 LEU HB3 . 6690 1 354 . 1 1 88 88 LEU HG H 1 1.749 0.01 . 1 . . . . 98 LEU HG . 6690 1 355 . 1 1 88 88 LEU HD11 H 1 0.752 0.01 . 2 . . . . 98 LEU HD1 . 6690 1 356 . 1 1 88 88 LEU HD12 H 1 0.752 0.01 . 2 . . . . 98 LEU HD1 . 6690 1 357 . 1 1 88 88 LEU HD13 H 1 0.752 0.01 . 2 . . . . 98 LEU HD1 . 6690 1 358 . 1 1 88 88 LEU CA C 13 56.300 0.2 . 1 . . . . 98 LEU CA . 6690 1 359 . 1 1 88 88 LEU CB C 13 41.900 0.2 . 1 . . . . 98 LEU CB . 6690 1 360 . 1 1 88 88 LEU CG C 13 26.428 0.2 . 1 . . . . 98 LEU CG . 6690 1 361 . 1 1 88 88 LEU CD1 C 13 22.810 0.2 . 2 . . . . 98 LEU CD1 . 6690 1 362 . 1 1 88 88 LEU N N 15 122.096 0.2 . 1 . . . . 98 LEU N . 6690 1 363 . 1 1 89 89 LYS H H 1 7.965 0.01 . 1 . . . . 99 LYS H . 6690 1 364 . 1 1 89 89 LYS HA H 1 4.182 0.01 . 1 . . . . 99 LYS HA . 6690 1 365 . 1 1 89 89 LYS HB2 H 1 1.864 0.01 . 2 . . . . 99 LYS HB2 . 6690 1 366 . 1 1 89 89 LYS HB3 H 1 1.747 0.01 . 2 . . . . 99 LYS HB3 . 6690 1 367 . 1 1 89 89 LYS CA C 13 57.100 0.2 . 1 . . . . 99 LYS CA . 6690 1 368 . 1 1 89 89 LYS CB C 13 32.600 0.2 . 1 . . . . 99 LYS CB . 6690 1 369 . 1 1 89 89 LYS N N 15 119.343 0.2 . 1 . . . . 99 LYS N . 6690 1 370 . 1 1 90 90 ASN H H 1 8.056 0.01 . 1 . . . . 100 ASN H . 6690 1 371 . 1 1 90 90 ASN HA H 1 4.621 0.01 . 1 . . . . 100 ASN HA . 6690 1 372 . 1 1 90 90 ASN HB2 H 1 2.736 0.01 . 2 . . . . 100 ASN HB2 . 6690 1 373 . 1 1 90 90 ASN HB3 H 1 2.806 0.01 . 2 . . . . 100 ASN HB3 . 6690 1 374 . 1 1 90 90 ASN CA C 13 53.480 0.2 . 1 . . . . 100 ASN CA . 6690 1 375 . 1 1 90 90 ASN CB C 13 38.550 0.2 . 1 . . . . 100 ASN CB . 6690 1 376 . 1 1 90 90 ASN N N 15 118.300 0.2 . 1 . . . . 100 ASN N . 6690 1 377 . 1 1 91 91 LYS H H 1 8.036 0.01 . 1 . . . . 101 LYS H . 6690 1 378 . 1 1 91 91 LYS HA H 1 4.245 0.01 . 1 . . . . 101 LYS HA . 6690 1 379 . 1 1 91 91 LYS HB2 H 1 1.736 0.01 . 2 . . . . 101 LYS HB2 . 6690 1 380 . 1 1 91 91 LYS HB3 H 1 1.803 0.01 . 2 . . . . 101 LYS HB3 . 6690 1 381 . 1 1 91 91 LYS HG2 H 1 1.384 0.01 . 2 . . . . 101 LYS HG2 . 6690 1 382 . 1 1 91 91 LYS HD2 H 1 1.628 0.01 . 2 . . . . 101 LYS HD2 . 6690 1 383 . 1 1 91 91 LYS CA C 13 56.638 0.2 . 1 . . . . 101 LYS CA . 6690 1 384 . 1 1 91 91 LYS CB C 13 32.921 0.2 . 1 . . . . 101 LYS CB . 6690 1 385 . 1 1 91 91 LYS CG C 13 24.751 0.2 . 1 . . . . 101 LYS CG . 6690 1 386 . 1 1 91 91 LYS CD C 13 29.159 0.2 . 1 . . . . 101 LYS CD . 6690 1 387 . 1 1 91 91 LYS CE C 13 42.114 0.2 . 1 . . . . 101 LYS CE . 6690 1 388 . 1 1 91 91 LYS N N 15 121.300 0.2 . 1 . . . . 101 LYS N . 6690 1 389 . 1 1 92 92 GLN H H 1 8.350 0.01 . 1 . . . . 102 GLN H . 6690 1 390 . 1 1 92 92 GLN HA H 1 4.269 0.01 . 1 . . . . 102 GLN HA . 6690 1 391 . 1 1 92 92 GLN HB2 H 1 1.905 0.01 . 2 . . . . 102 GLN HB2 . 6690 1 392 . 1 1 92 92 GLN HB3 H 1 2.074 0.01 . 2 . . . . 102 GLN HB3 . 6690 1 393 . 1 1 92 92 GLN CB C 13 29.547 0.2 . 1 . . . . 102 GLN CB . 6690 1 394 . 1 1 92 92 GLN N N 15 121.800 0.2 . 1 . . . . 102 GLN N . 6690 1 395 . 1 1 93 93 ASN H H 1 8.056 0.01 . 1 . . . . 103 ASN H . 6690 1 396 . 1 1 93 93 ASN HA H 1 4.394 0.01 . 1 . . . . 103 ASN HA . 6690 1 397 . 1 1 93 93 ASN HB2 H 1 2.703 0.01 . 2 . . . . 103 ASN HB2 . 6690 1 398 . 1 1 93 93 ASN HB3 H 1 2.607 0.01 . 2 . . . . 103 ASN HB3 . 6690 1 399 . 1 1 93 93 ASN CA C 13 54.811 0.2 . 1 . . . . 103 ASN CA . 6690 1 400 . 1 1 93 93 ASN CB C 13 40.200 0.2 . 1 . . . . 103 ASN CB . 6690 1 401 . 1 1 93 93 ASN N N 15 125.504 0.2 . 1 . . . . 103 ASN N . 6690 1 402 . 2 2 5 5 ALA H H 1 8.353 0.01 . 1 . . . . 5 ALA H . 6690 1 403 . 2 2 5 5 ALA HA H 1 4.154 0.01 . 1 . . . . 5 ALA HA . 6690 1 404 . 2 2 5 5 ALA HB1 H 1 1.240 0.01 . 1 . . . . 5 ALA HB . 6690 1 405 . 2 2 5 5 ALA HB2 H 1 1.240 0.01 . 1 . . . . 5 ALA HB . 6690 1 406 . 2 2 5 5 ALA HB3 H 1 1.240 0.01 . 1 . . . . 5 ALA HB . 6690 1 407 . 2 2 8 8 ASN H H 1 8.582 0.01 . 1 . . . . 8 ASN H . 6690 1 408 . 2 2 8 8 ASN HA H 1 4.523 0.01 . 1 . . . . 8 ASN HA . 6690 1 409 . 2 2 8 8 ASN HB2 H 1 2.690 0.01 . 2 . . . . 8 ASN HB2 . 6690 1 410 . 2 2 10 10 PHE H H 1 8.344 0.01 . 1 . . . . 10 PHE H . 6690 1 411 . 2 2 10 10 PHE HA H 1 4.555 0.01 . 1 . . . . 10 PHE HA . 6690 1 412 . 2 2 10 10 PHE HB2 H 1 3.091 0.01 . 2 . . . . 10 PHE HB2 . 6690 1 413 . 2 2 10 10 PHE HD1 H 1 7.278 0.01 . 1 . . . . 10 PHE HD1 . 6690 1 414 . 2 2 10 10 PHE HD2 H 1 7.278 0.01 . 1 . . . . 10 PHE HD2 . 6690 1 415 . 2 2 10 10 PHE HE1 H 1 7.310 0.01 . 1 . . . . 10 PHE HE1 . 6690 1 416 . 2 2 10 10 PHE HE2 H 1 7.310 0.01 . 1 . . . . 10 PHE HE2 . 6690 1 417 . 2 2 10 10 PHE HZ H 1 7.198 0.01 . 1 . . . . 10 PHE HZ . 6690 1 418 . 2 2 12 12 VAL H H 1 8.017 0.01 . 1 . . . . 12 VAL H . 6690 1 419 . 2 2 12 12 VAL HA H 1 4.084 0.01 . 1 . . . . 12 VAL HA . 6690 1 420 . 2 2 12 12 VAL HB H 1 1.965 0.01 . 1 . . . . 12 VAL HB . 6690 1 421 . 2 2 12 12 VAL HG11 H 1 0.851 0.01 . 2 . . . . 12 VAL HG1 . 6690 1 422 . 2 2 12 12 VAL HG12 H 1 0.851 0.01 . 2 . . . . 12 VAL HG1 . 6690 1 423 . 2 2 12 12 VAL HG13 H 1 0.851 0.01 . 2 . . . . 12 VAL HG1 . 6690 1 424 . 2 2 17 17 ILE H H 1 8.205 0.01 . 1 . . . . 17 ILE H . 6690 1 425 . 2 2 17 17 ILE HA H 1 4.052 0.01 . 1 . . . . 17 ILE HA . 6690 1 426 . 2 2 17 17 ILE HB H 1 1.742 0.01 . 1 . . . . 17 ILE HB . 6690 1 427 . 2 2 17 17 ILE HG12 H 1 1.112 0.01 . 2 . . . . 17 ILE HG12 . 6690 1 428 . 2 2 17 17 ILE HG13 H 1 1.462 0.01 . 2 . . . . 17 ILE HG13 . 6690 1 429 . 2 2 17 17 ILE HG21 H 1 0.839 0.01 . 1 . . . . 17 ILE HG2 . 6690 1 430 . 2 2 17 17 ILE HG22 H 1 0.839 0.01 . 1 . . . . 17 ILE HG2 . 6690 1 431 . 2 2 17 17 ILE HG23 H 1 0.839 0.01 . 1 . . . . 17 ILE HG2 . 6690 1 432 . 2 2 17 17 ILE HD11 H 1 0.788 0.01 . 1 . . . . 17 ILE HD1 . 6690 1 433 . 2 2 17 17 ILE HD12 H 1 0.788 0.01 . 1 . . . . 17 ILE HD1 . 6690 1 434 . 2 2 17 17 ILE HD13 H 1 0.788 0.01 . 1 . . . . 17 ILE HD1 . 6690 1 435 . 2 2 18 18 LEU H H 1 8.344 0.01 . 1 . . . . 18 LEU H . 6690 1 436 . 2 2 18 18 LEU HA H 1 4.351 0.01 . 1 . . . . 18 LEU HA . 6690 1 437 . 2 2 18 18 LEU HB2 H 1 1.539 0.01 . 2 . . . . 18 LEU HB2 . 6690 1 438 . 2 2 18 18 LEU HB3 H 1 1.640 0.01 . 2 . . . . 18 LEU HB3 . 6690 1 439 . 2 2 18 18 LEU HD11 H 1 0.877 0.01 . 1 . . . . 18 LEU HD1 . 6690 1 440 . 2 2 18 18 LEU HD12 H 1 0.877 0.01 . 1 . . . . 18 LEU HD1 . 6690 1 441 . 2 2 18 18 LEU HD13 H 1 0.877 0.01 . 1 . . . . 18 LEU HD1 . 6690 1 442 . 2 2 19 19 GLY H H 1 8.114 0.01 . 1 . . . . 19 GLY H . 6690 1 443 . 2 2 19 19 GLY HA2 H 1 3.715 0.01 . 2 . . . . 19 GLY HA2 . 6690 1 444 . 2 2 20 20 ARG H H 1 8.200 0.01 . 1 . . . . 20 ARG H . 6690 1 445 . 2 2 20 20 ARG HA H 1 4.346 0.01 . 1 . . . . 20 ARG HA . 6690 1 446 . 2 2 20 20 ARG HB2 H 1 1.704 0.01 . 2 . . . . 20 ARG HB2 . 6690 1 447 . 2 2 20 20 ARG HB3 H 1 1.882 0.01 . 2 . . . . 20 ARG HB3 . 6690 1 448 . 2 2 20 20 ARG HG2 H 1 1.590 0.01 . 2 . . . . 20 ARG HG2 . 6690 1 449 . 2 2 20 20 ARG HD2 H 1 3.155 0.01 . 2 . . . . 20 ARG HD2 . 6690 1 450 . 2 2 21 21 GLY H H 1 8.458 0.01 . 1 . . . . 21 GLY H . 6690 1 451 . 2 2 21 21 GLY HA2 H 1 3.912 0.01 . 2 . . . . 21 GLY HA2 . 6690 1 stop_ save_