data_15481 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15481 _Entry.Title ; 15N and 1HN assignments of the EVH1 domain of human HOMER3A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-09-20 _Entry.Accession_date 2007-09-20 _Entry.Last_release_date 2007-09-27 _Entry.Original_release_date 2007-09-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'EVH1 domain of the human Homer3A protein. N-terminal SM residues are a cloning artefact from the vector' _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 Victoria Higman . A. . 15481 2 Peter Schmieder . . . 15481 3 Anne Diehl . . . 15481 4 Shurene Bishop . . . 15481 5 Hartmut Oschkinat . . . 15481 6 Cheryl Arrowsmith . H. . 15481 7 Johan Wiegelt . . . 15481 8 Aled Edwards . . . 15481 9 Michael Sundstrom . . . 15481 10 Linda Ball . J. . 15481 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'Structural Genomics Consortium' . 15481 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15481 heteronucl_T1_relaxation 1 15481 heteronucl_T2_relaxation 1 15481 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 114 15481 '1H chemical shifts' 114 15481 'T1 relaxation values' 91 15481 'T2 relaxation values' 91 15481 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 . . 2007-09-27 2007-09-20 original author . 15481 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2P8V 'On hold - Huang et al. Crystal structure of human Homer3 EVH1 domain' 15481 . gi:21361157 'GenBank NCBI identification' 15481 . Q9NSC5 'Swissprot ID' 15481 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15481 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title '15N and 1HN assignments of the EVH1 domain of human HOMER3A' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . 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 Victoria Higman . A. . 15481 1 2 Peter Schmieder . . . 15481 1 3 Shurene Bishop . . . 15481 1 4 Anne Diehl . . . 15481 1 5 Hartmut Oschkinat . . . 15481 1 6 Cheryl Arrowsmith . H. . 15481 1 7 Aled Edwards . . . 15481 1 8 Michael Sundstrom . . . 15481 1 9 Johan Wiegelt . . . 15481 1 10 Linda Ball . J. . 15481 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'EVH1 domain' 15481 1 HOMER 15481 1 'metabotropic glutamate receptor binding' 15481 1 neuronal 15481 1 'synaptic signalling protein' 15481 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15481 _Assembly.ID 1 _Assembly.Name 'HOMER3A EVH1 domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'HOMER3A EVH1 domain' 1 $HOMER3A_EVH1_domain A . yes native no no . . . 15481 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 2P8V . . X-ray 0.0 None 'On hold. Huang et al.' 15481 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HOMER3A_EVH1_domain _Entity.Sf_category entity _Entity.Sf_framecode HOMER3A_EVH1_domain _Entity.Entry_ID 15481 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HOMER3A_EVH1_domain _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 ; SMAREQPIFSTRAHVFQIDP ATKRNWIPAGKHALTVSYFY DATRNVYRIISIGGAKAIIN STVTPNMTFTKTSQKFGQWA DSRANTVYGLGFASEQHLTQ FAEKFQEVKEAARLARE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Actual protein sequence is from 4A-118E (numbering according to NCBI ID gi:21361157)' _Entity.Polymer_author_seq_details 'The first two residues (SM) are from the vector.' _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 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'EVH1 domain' _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 yes SWS Q9NSC5 . HOME3_HUMAN . . . . . . . . . . . . . . 15481 1 2 yes PDB 2P8V . "human Homer3 EVH1 domain" . . . . . . . . . . . . . . 15481 1 3 yes NCBI gi:21361157 . NP_004829 . . . . . . . . . . . . . . 15481 1 4 no PDB 2P8V . "Crystal Structure Of Human Homer3 Evh1 Domain" . . . . . 100.00 117 99.15 99.15 4.78e-79 . . . . 15481 1 5 no DBJ BAA35110 . "Vesl-3 [Rattus norvegicus]" . . . . . 100.00 358 97.44 97.44 1.03e-76 . . . . 15481 1 6 no DBJ BAG36707 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 361 99.15 99.15 2.68e-78 . . . . 15481 1 7 no DBJ BAG54040 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 361 99.15 99.15 2.68e-78 . . . . 15481 1 8 no EMBL CAB75536 . "HOMER-3A (flip) protein [Homo sapiens]" . . . . . 100.00 361 99.15 99.15 2.68e-78 . . . . 15481 1 9 no EMBL CAB75543 . "Homer-3B protein [Homo sapiens]" . . . . . 86.32 325 98.02 98.02 2.81e-66 . . . . 15481 1 10 no EMBL CAB75544 . "Homer-3C protein [Homo sapiens]" . . . . . 100.00 145 99.15 99.15 1.16e-78 . . . . 15481 1 11 no EMBL CAB75545 . "Homer-3D protein [Homo sapiens]" . . . . . 100.00 121 98.29 99.15 1.45e-78 . . . . 15481 1 12 no EMBL CAC35223 . "GLGF-domain protein (Homer-3/Vesl-3) [Chlorocebus aethiops]" . . . . . 77.78 91 100.00 100.00 6.81e-60 . . . . 15481 1 13 no GB AAB81545 . "R27090_3 [Homo sapiens]" . . . . . 100.00 374 99.15 99.15 7.57e-78 . . . . 15481 1 14 no GB AAC71025 . "homer-3 [Mus musculus]" . . . . . 100.00 358 97.44 97.44 1.58e-76 . . . . 15481 1 15 no GB AAC71029 . "homer-3 [Homo sapiens]" . . . . . 100.00 358 99.15 99.15 2.36e-78 . . . . 15481 1 16 no GB AAH05773 . "Homer homolog 3 (Drosophila) [Mus musculus]" . . . . . 100.00 356 97.44 97.44 1.63e-76 . . . . 15481 1 17 no GB AAH12113 . "Homer homolog 3 (Drosophila) [Homo sapiens]" . . . . . 100.00 361 99.15 99.15 2.68e-78 . . . . 15481 1 18 no REF NP_001139193 . "homer protein homolog 3 isoform 2 [Homo sapiens]" . . . . . 100.00 358 99.15 99.15 2.36e-78 . . . . 15481 1 19 no REF NP_001139194 . "homer protein homolog 3 isoform 1 [Homo sapiens]" . . . . . 100.00 361 99.15 99.15 2.89e-78 . . . . 15481 1 20 no REF NP_001139196 . "homer protein homolog 3 isoform 3 [Homo sapiens]" . . . . . 86.32 325 98.02 98.02 2.75e-66 . . . . 15481 1 21 no REF NP_001139625 . "homer protein homolog 3 isoform 1 [Mus musculus]" . . . . . 100.00 359 97.44 97.44 1.51e-76 . . . . 15481 1 22 no REF NP_001244618 . "homer protein homolog 3 [Macaca mulatta]" . . . . . 100.00 361 99.15 99.15 2.83e-78 . . . . 15481 1 23 no SP Q99JP6 . "RecName: Full=Homer protein homolog 3; Short=Homer-3" . . . . . 100.00 356 97.44 97.44 1.98e-76 . . . . 15481 1 24 no SP Q9NSC5 . "RecName: Full=Homer protein homolog 3; Short=Homer-3" . . . . . 100.00 361 99.15 99.15 2.89e-78 . . . . 15481 1 25 no SP Q9Z2X5 . "RecName: Full=Homer protein homolog 3; Short=Homer-3; AltName: Full=VASP/Ena-related gene up-regulated during seizure and LTP 3" . . . . . 100.00 358 97.44 97.44 1.03e-76 . . . . 15481 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'neuronal signalling protein' 15481 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 . 15481 1 2 . MET . 15481 1 3 . ALA . 15481 1 4 . ARG . 15481 1 5 . GLU . 15481 1 6 . GLN . 15481 1 7 . PRO . 15481 1 8 . ILE . 15481 1 9 . PHE . 15481 1 10 . SER . 15481 1 11 . THR . 15481 1 12 . ARG . 15481 1 13 . ALA . 15481 1 14 . HIS . 15481 1 15 . VAL . 15481 1 16 . PHE . 15481 1 17 . GLN . 15481 1 18 . ILE . 15481 1 19 . ASP . 15481 1 20 . PRO . 15481 1 21 . ALA . 15481 1 22 . THR . 15481 1 23 . LYS . 15481 1 24 . ARG . 15481 1 25 . ASN . 15481 1 26 . TRP . 15481 1 27 . ILE . 15481 1 28 . PRO . 15481 1 29 . ALA . 15481 1 30 . GLY . 15481 1 31 . LYS . 15481 1 32 . HIS . 15481 1 33 . ALA . 15481 1 34 . LEU . 15481 1 35 . THR . 15481 1 36 . VAL . 15481 1 37 . SER . 15481 1 38 . TYR . 15481 1 39 . PHE . 15481 1 40 . TYR . 15481 1 41 . ASP . 15481 1 42 . ALA . 15481 1 43 . THR . 15481 1 44 . ARG . 15481 1 45 . ASN . 15481 1 46 . VAL . 15481 1 47 . TYR . 15481 1 48 . ARG . 15481 1 49 . ILE . 15481 1 50 . ILE . 15481 1 51 . SER . 15481 1 52 . ILE . 15481 1 53 . GLY . 15481 1 54 . GLY . 15481 1 55 . ALA . 15481 1 56 . LYS . 15481 1 57 . ALA . 15481 1 58 . ILE . 15481 1 59 . ILE . 15481 1 60 . ASN . 15481 1 61 . SER . 15481 1 62 . THR . 15481 1 63 . VAL . 15481 1 64 . THR . 15481 1 65 . PRO . 15481 1 66 . ASN . 15481 1 67 . MET . 15481 1 68 . THR . 15481 1 69 . PHE . 15481 1 70 . THR . 15481 1 71 . LYS . 15481 1 72 . THR . 15481 1 73 . SER . 15481 1 74 . GLN . 15481 1 75 . LYS . 15481 1 76 . PHE . 15481 1 77 . GLY . 15481 1 78 . GLN . 15481 1 79 . TRP . 15481 1 80 . ALA . 15481 1 81 . ASP . 15481 1 82 . SER . 15481 1 83 . ARG . 15481 1 84 . ALA . 15481 1 85 . ASN . 15481 1 86 . THR . 15481 1 87 . VAL . 15481 1 88 . TYR . 15481 1 89 . GLY . 15481 1 90 . LEU . 15481 1 91 . GLY . 15481 1 92 . PHE . 15481 1 93 . ALA . 15481 1 94 . SER . 15481 1 95 . GLU . 15481 1 96 . GLN . 15481 1 97 . HIS . 15481 1 98 . LEU . 15481 1 99 . THR . 15481 1 100 . GLN . 15481 1 101 . PHE . 15481 1 102 . ALA . 15481 1 103 . GLU . 15481 1 104 . LYS . 15481 1 105 . PHE . 15481 1 106 . GLN . 15481 1 107 . GLU . 15481 1 108 . VAL . 15481 1 109 . LYS . 15481 1 110 . GLU . 15481 1 111 . ALA . 15481 1 112 . ALA . 15481 1 113 . ARG . 15481 1 114 . LEU . 15481 1 115 . ALA . 15481 1 116 . ARG . 15481 1 117 . GLU . 15481 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 15481 1 . MET 2 2 15481 1 . ALA 3 3 15481 1 . ARG 4 4 15481 1 . GLU 5 5 15481 1 . GLN 6 6 15481 1 . PRO 7 7 15481 1 . ILE 8 8 15481 1 . PHE 9 9 15481 1 . SER 10 10 15481 1 . THR 11 11 15481 1 . ARG 12 12 15481 1 . ALA 13 13 15481 1 . HIS 14 14 15481 1 . VAL 15 15 15481 1 . PHE 16 16 15481 1 . GLN 17 17 15481 1 . ILE 18 18 15481 1 . ASP 19 19 15481 1 . PRO 20 20 15481 1 . ALA 21 21 15481 1 . THR 22 22 15481 1 . LYS 23 23 15481 1 . ARG 24 24 15481 1 . ASN 25 25 15481 1 . TRP 26 26 15481 1 . ILE 27 27 15481 1 . PRO 28 28 15481 1 . ALA 29 29 15481 1 . GLY 30 30 15481 1 . LYS 31 31 15481 1 . HIS 32 32 15481 1 . ALA 33 33 15481 1 . LEU 34 34 15481 1 . THR 35 35 15481 1 . VAL 36 36 15481 1 . SER 37 37 15481 1 . TYR 38 38 15481 1 . PHE 39 39 15481 1 . TYR 40 40 15481 1 . ASP 41 41 15481 1 . ALA 42 42 15481 1 . THR 43 43 15481 1 . ARG 44 44 15481 1 . ASN 45 45 15481 1 . VAL 46 46 15481 1 . TYR 47 47 15481 1 . ARG 48 48 15481 1 . ILE 49 49 15481 1 . ILE 50 50 15481 1 . SER 51 51 15481 1 . ILE 52 52 15481 1 . GLY 53 53 15481 1 . GLY 54 54 15481 1 . ALA 55 55 15481 1 . LYS 56 56 15481 1 . ALA 57 57 15481 1 . ILE 58 58 15481 1 . ILE 59 59 15481 1 . ASN 60 60 15481 1 . SER 61 61 15481 1 . THR 62 62 15481 1 . VAL 63 63 15481 1 . THR 64 64 15481 1 . PRO 65 65 15481 1 . ASN 66 66 15481 1 . MET 67 67 15481 1 . THR 68 68 15481 1 . PHE 69 69 15481 1 . THR 70 70 15481 1 . LYS 71 71 15481 1 . THR 72 72 15481 1 . SER 73 73 15481 1 . GLN 74 74 15481 1 . LYS 75 75 15481 1 . PHE 76 76 15481 1 . GLY 77 77 15481 1 . GLN 78 78 15481 1 . TRP 79 79 15481 1 . ALA 80 80 15481 1 . ASP 81 81 15481 1 . SER 82 82 15481 1 . ARG 83 83 15481 1 . ALA 84 84 15481 1 . ASN 85 85 15481 1 . THR 86 86 15481 1 . VAL 87 87 15481 1 . TYR 88 88 15481 1 . GLY 89 89 15481 1 . LEU 90 90 15481 1 . GLY 91 91 15481 1 . PHE 92 92 15481 1 . ALA 93 93 15481 1 . SER 94 94 15481 1 . GLU 95 95 15481 1 . GLN 96 96 15481 1 . HIS 97 97 15481 1 . LEU 98 98 15481 1 . THR 99 99 15481 1 . GLN 100 100 15481 1 . PHE 101 101 15481 1 . ALA 102 102 15481 1 . GLU 103 103 15481 1 . LYS 104 104 15481 1 . PHE 105 105 15481 1 . GLN 106 106 15481 1 . GLU 107 107 15481 1 . VAL 108 108 15481 1 . LYS 109 109 15481 1 . GLU 110 110 15481 1 . ALA 111 111 15481 1 . ALA 112 112 15481 1 . ARG 113 113 15481 1 . LEU 114 114 15481 1 . ALA 115 115 15481 1 . ARG 116 116 15481 1 . GLU 117 117 15481 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 15481 _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 $HOMER3A_EVH1_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15481 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 15481 _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 $HOMER3A_EVH1_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta BL21(DE3)' . . . . . . . . . . . . . . . pNIC28-Bsa4 . . . 'The vector adds an N-terminal hexahistidine purification tag with a TEV-protease cleavage site and confers kanamycin resistance to cells.' . . 15481 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15481 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'EVH1 domain of human HOMER3A' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HOMER3A EVH1 domain' '[U-99% 15N]' . . 1 $HOMER3A_EVH1_domain . . 0.7 . . mM . . . . 15481 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15481 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15481 1 4 'sodium azide' 'natural abundance' . . . . . . 0.15 . . mM . . . . 15481 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 15481 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 15481 _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 6.0 . pH 15481 1 pressure 1 . atm 15481 1 temperature 297 . K 15481 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15481 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' 'Bruker BioSpin GmbH, Rheinstetten, Germany' . 15481 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15481 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15481 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15481 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15481 2 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 15481 _Software.ID 3 _Software.Name ANALYSIS _Software.Version 1.0.15 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPNMR ; Cambridge, UK. Vranken et al. Proteins 59, 687-696 ; http://www.ccpn.ac.uk/ 15481 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15481 3 'peak picking' 15481 3 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 15481 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Standard configuration with triple resonance probe equipped with self-shielded triple axis gradient coils' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 15481 _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 Bruker DRX . 600 'Standard configuration with triple resonance probe equipped with self-shielded triple axis gradient coils' . . 15481 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 15481 _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-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15481 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15481 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15481 1 4 '2D 1H-15N HSQC - T1 series' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15481 1 5 '2D 1H-15N HSQC - T2 series' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15481 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 15481 _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 external direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 15481 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 15481 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 15481 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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-15N HSQC' . . . 15481 1 2 '3D 1H-15N NOESY' . . . 15481 1 3 '3D 1H-15N TOCSY' . . . 15481 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 3 $CcpNmr_Analysis . . 15481 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 2 2 MET H H 1 8.175 0.01 . 1 . . . . 2 MET H . 15481 1 2 . 1 1 2 2 MET N N 15 116.778 0.1 . 1 . . . . 2 MET N . 15481 1 3 . 1 1 3 3 ALA H H 1 8.408 0.01 . 1 . . . . 3 ALA H . 15481 1 4 . 1 1 3 3 ALA N N 15 125.898 0.1 . 1 . . . . 3 ALA N . 15481 1 5 . 1 1 4 4 ARG H H 1 8.339 0.01 . 1 . . . . 4 ARG H . 15481 1 6 . 1 1 4 4 ARG N N 15 120.307 0.1 . 1 . . . . 4 ARG N . 15481 1 7 . 1 1 5 5 GLU H H 1 8.345 0.01 . 1 . . . . 5 GLU H . 15481 1 8 . 1 1 5 5 GLU N N 15 121.351 0.1 . 1 . . . . 5 GLU N . 15481 1 9 . 1 1 6 6 GLN H H 1 8.577 0.01 . 1 . . . . 6 GLN H . 15481 1 10 . 1 1 6 6 GLN N N 15 121.831 0.1 . 1 . . . . 6 GLN N . 15481 1 11 . 1 1 8 8 ILE H H 1 8.551 0.01 . 1 . . . . 8 ILE H . 15481 1 12 . 1 1 8 8 ILE N N 15 117.054 0.1 . 1 . . . . 8 ILE N . 15481 1 13 . 1 1 9 9 PHE H H 1 7.264 0.01 . 1 . . . . 9 PHE H . 15481 1 14 . 1 1 9 9 PHE N N 15 119.611 0.1 . 1 . . . . 9 PHE N . 15481 1 15 . 1 1 10 10 SER H H 1 7.882 0.01 . 1 . . . . 10 SER H . 15481 1 16 . 1 1 10 10 SER N N 15 123.306 0.1 . 1 . . . . 10 SER N . 15481 1 17 . 1 1 11 11 THR H H 1 8.876 0.01 . 1 . . . . 11 THR H . 15481 1 18 . 1 1 11 11 THR N N 15 118.480 0.1 . 1 . . . . 11 THR N . 15481 1 19 . 1 1 12 12 ARG H H 1 8.170 0.01 . 1 . . . . 12 ARG H . 15481 1 20 . 1 1 12 12 ARG N N 15 122.883 0.1 . 1 . . . . 12 ARG N . 15481 1 21 . 1 1 13 13 ALA H H 1 8.964 0.01 . 1 . . . . 13 ALA H . 15481 1 22 . 1 1 13 13 ALA N N 15 123.291 0.1 . 1 . . . . 13 ALA N . 15481 1 23 . 1 1 14 14 HIS H H 1 8.873 0.01 . 1 . . . . 14 HIS H . 15481 1 24 . 1 1 14 14 HIS N N 15 120.815 0.1 . 1 . . . . 14 HIS N . 15481 1 25 . 1 1 15 15 VAL H H 1 8.457 0.01 . 1 . . . . 15 VAL H . 15481 1 26 . 1 1 15 15 VAL N N 15 124.783 0.1 . 1 . . . . 15 VAL N . 15481 1 27 . 1 1 16 16 PHE H H 1 9.407 0.01 . 1 . . . . 16 PHE H . 15481 1 28 . 1 1 16 16 PHE N N 15 125.496 0.1 . 1 . . . . 16 PHE N . 15481 1 29 . 1 1 17 17 GLN H H 1 8.899 0.01 . 1 . . . . 17 GLN H . 15481 1 30 . 1 1 17 17 GLN N N 15 118.259 0.1 . 1 . . . . 17 GLN N . 15481 1 31 . 1 1 18 18 ILE H H 1 8.048 0.01 . 1 . . . . 18 ILE H . 15481 1 32 . 1 1 18 18 ILE N N 15 126.060 0.1 . 1 . . . . 18 ILE N . 15481 1 33 . 1 1 19 19 ASP H H 1 8.385 0.01 . 1 . . . . 19 ASP H . 15481 1 34 . 1 1 19 19 ASP N N 15 127.599 0.1 . 1 . . . . 19 ASP N . 15481 1 35 . 1 1 21 21 ALA H H 1 8.100 0.01 . 1 . . . . 21 ALA H . 15481 1 36 . 1 1 21 21 ALA N N 15 119.788 0.1 . 1 . . . . 21 ALA N . 15481 1 37 . 1 1 22 22 THR H H 1 7.699 0.01 . 1 . . . . 22 THR H . 15481 1 38 . 1 1 22 22 THR N N 15 106.540 0.1 . 1 . . . . 22 THR N . 15481 1 39 . 1 1 23 23 LYS H H 1 8.249 0.01 . 1 . . . . 23 LYS H . 15481 1 40 . 1 1 23 23 LYS N N 15 117.679 0.1 . 1 . . . . 23 LYS N . 15481 1 41 . 1 1 24 24 ARG H H 1 7.895 0.01 . 1 . . . . 24 ARG H . 15481 1 42 . 1 1 24 24 ARG N N 15 115.494 0.1 . 1 . . . . 24 ARG N . 15481 1 43 . 1 1 25 25 ASN H H 1 7.569 0.01 . 1 . . . . 25 ASN H . 15481 1 44 . 1 1 25 25 ASN N N 15 116.303 0.1 . 1 . . . . 25 ASN N . 15481 1 45 . 1 1 26 26 TRP H H 1 8.567 0.01 . 1 . . . . 26 TRP H . 15481 1 46 . 1 1 26 26 TRP HE1 H 1 9.684 0.01 . 1 . . . . 26 TRP HE1 . 15481 1 47 . 1 1 26 26 TRP N N 15 121.191 0.1 . 1 . . . . 26 TRP N . 15481 1 48 . 1 1 26 26 TRP NE1 N 15 128.472 0.1 . 1 . . . . 26 TRP NE1 . 15481 1 49 . 1 1 27 27 ILE H H 1 9.708 0.01 . 1 . . . . 27 ILE H . 15481 1 50 . 1 1 27 27 ILE N N 15 125.873 0.1 . 1 . . . . 27 ILE N . 15481 1 51 . 1 1 29 29 ALA H H 1 8.597 0.01 . 1 . . . . 29 ALA H . 15481 1 52 . 1 1 29 29 ALA N N 15 125.992 0.1 . 1 . . . . 29 ALA N . 15481 1 53 . 1 1 30 30 GLY H H 1 7.517 0.01 . 1 . . . . 30 GLY H . 15481 1 54 . 1 1 30 30 GLY N N 15 105.088 0.1 . 1 . . . . 30 GLY N . 15481 1 55 . 1 1 31 31 LYS H H 1 8.406 0.01 . 1 . . . . 31 LYS H . 15481 1 56 . 1 1 31 31 LYS N N 15 120.740 0.1 . 1 . . . . 31 LYS N . 15481 1 57 . 1 1 32 32 HIS H H 1 7.755 0.01 . 1 . . . . 32 HIS H . 15481 1 58 . 1 1 32 32 HIS N N 15 115.798 0.1 . 1 . . . . 32 HIS N . 15481 1 59 . 1 1 33 33 ALA H H 1 8.590 0.01 . 1 . . . . 33 ALA H . 15481 1 60 . 1 1 33 33 ALA N N 15 124.138 0.1 . 1 . . . . 33 ALA N . 15481 1 61 . 1 1 34 34 LEU H H 1 8.346 0.01 . 1 . . . . 34 LEU H . 15481 1 62 . 1 1 34 34 LEU N N 15 122.176 0.1 . 1 . . . . 34 LEU N . 15481 1 63 . 1 1 35 35 THR H H 1 8.490 0.01 . 1 . . . . 35 THR H . 15481 1 64 . 1 1 35 35 THR N N 15 116.909 0.1 . 1 . . . . 35 THR N . 15481 1 65 . 1 1 36 36 VAL H H 1 9.114 0.01 . 1 . . . . 36 VAL H . 15481 1 66 . 1 1 36 36 VAL N N 15 131.270 0.1 . 1 . . . . 36 VAL N . 15481 1 67 . 1 1 37 37 SER H H 1 8.796 0.01 . 1 . . . . 37 SER H . 15481 1 68 . 1 1 37 37 SER N N 15 120.876 0.1 . 1 . . . . 37 SER N . 15481 1 69 . 1 1 38 38 TYR H H 1 8.748 0.01 . 1 . . . . 38 TYR H . 15481 1 70 . 1 1 38 38 TYR N N 15 119.743 0.1 . 1 . . . . 38 TYR N . 15481 1 71 . 1 1 39 39 PHE H H 1 9.796 0.01 . 1 . . . . 39 PHE H . 15481 1 72 . 1 1 39 39 PHE N N 15 120.964 0.1 . 1 . . . . 39 PHE N . 15481 1 73 . 1 1 40 40 TYR H H 1 9.158 0.01 . 1 . . . . 40 TYR H . 15481 1 74 . 1 1 40 40 TYR N N 15 121.675 0.1 . 1 . . . . 40 TYR N . 15481 1 75 . 1 1 41 41 ASP H H 1 8.406 0.01 . 1 . . . . 41 ASP H . 15481 1 76 . 1 1 41 41 ASP N N 15 128.859 0.1 . 1 . . . . 41 ASP N . 15481 1 77 . 1 1 42 42 ALA H H 1 8.346 0.01 . 1 . . . . 42 ALA H . 15481 1 78 . 1 1 42 42 ALA N N 15 127.160 0.1 . 1 . . . . 42 ALA N . 15481 1 79 . 1 1 43 43 THR H H 1 8.171 0.01 . 1 . . . . 43 THR H . 15481 1 80 . 1 1 43 43 THR N N 15 113.215 0.1 . 1 . . . . 43 THR N . 15481 1 81 . 1 1 44 44 ARG H H 1 7.089 0.01 . 1 . . . . 44 ARG H . 15481 1 82 . 1 1 44 44 ARG N N 15 118.574 0.1 . 1 . . . . 44 ARG N . 15481 1 83 . 1 1 45 45 ASN H H 1 8.035 0.01 . 1 . . . . 45 ASN H . 15481 1 84 . 1 1 45 45 ASN N N 15 118.750 0.1 . 1 . . . . 45 ASN N . 15481 1 85 . 1 1 46 46 VAL H H 1 7.071 0.01 . 1 . . . . 46 VAL H . 15481 1 86 . 1 1 46 46 VAL N N 15 110.693 0.1 . 1 . . . . 46 VAL N . 15481 1 87 . 1 1 47 47 TYR H H 1 9.570 0.01 . 1 . . . . 47 TYR H . 15481 1 88 . 1 1 47 47 TYR N N 15 122.857 0.1 . 1 . . . . 47 TYR N . 15481 1 89 . 1 1 48 48 ARG H H 1 9.199 0.01 . 1 . . . . 48 ARG H . 15481 1 90 . 1 1 48 48 ARG N N 15 118.795 0.1 . 1 . . . . 48 ARG N . 15481 1 91 . 1 1 49 49 ILE H H 1 9.103 0.01 . 1 . . . . 49 ILE H . 15481 1 92 . 1 1 49 49 ILE N N 15 122.929 0.1 . 1 . . . . 49 ILE N . 15481 1 93 . 1 1 50 50 ILE H H 1 9.095 0.01 . 1 . . . . 50 ILE H . 15481 1 94 . 1 1 50 50 ILE N N 15 124.905 0.1 . 1 . . . . 50 ILE N . 15481 1 95 . 1 1 51 51 SER H H 1 8.528 0.01 . 1 . . . . 51 SER H . 15481 1 96 . 1 1 51 51 SER N N 15 120.673 0.1 . 1 . . . . 51 SER N . 15481 1 97 . 1 1 52 52 ILE H H 1 9.188 0.01 . 1 . . . . 52 ILE H . 15481 1 98 . 1 1 52 52 ILE N N 15 128.275 0.1 . 1 . . . . 52 ILE N . 15481 1 99 . 1 1 53 53 GLY H H 1 8.613 0.01 . 1 . . . . 53 GLY H . 15481 1 100 . 1 1 53 53 GLY N N 15 114.671 0.1 . 1 . . . . 53 GLY N . 15481 1 101 . 1 1 54 54 GLY H H 1 8.673 0.01 . 1 . . . . 54 GLY H . 15481 1 102 . 1 1 54 54 GLY N N 15 113.388 0.1 . 1 . . . . 54 GLY N . 15481 1 103 . 1 1 55 55 ALA H H 1 8.674 0.01 . 1 . . . . 55 ALA H . 15481 1 104 . 1 1 55 55 ALA N N 15 123.916 0.1 . 1 . . . . 55 ALA N . 15481 1 105 . 1 1 56 56 LYS H H 1 7.762 0.01 . 1 . . . . 56 LYS H . 15481 1 106 . 1 1 56 56 LYS N N 15 117.378 0.1 . 1 . . . . 56 LYS N . 15481 1 107 . 1 1 57 57 ALA H H 1 8.580 0.01 . 1 . . . . 57 ALA H . 15481 1 108 . 1 1 57 57 ALA N N 15 125.598 0.1 . 1 . . . . 57 ALA N . 15481 1 109 . 1 1 58 58 ILE H H 1 8.338 0.01 . 1 . . . . 58 ILE H . 15481 1 110 . 1 1 58 58 ILE N N 15 125.492 0.1 . 1 . . . . 58 ILE N . 15481 1 111 . 1 1 59 59 ILE H H 1 7.770 0.01 . 1 . . . . 59 ILE H . 15481 1 112 . 1 1 59 59 ILE N N 15 116.695 0.1 . 1 . . . . 59 ILE N . 15481 1 113 . 1 1 60 60 ASN H H 1 7.838 0.01 . 1 . . . . 60 ASN H . 15481 1 114 . 1 1 60 60 ASN N N 15 125.298 0.1 . 1 . . . . 60 ASN N . 15481 1 115 . 1 1 61 61 SER H H 1 9.041 0.01 . 1 . . . . 61 SER H . 15481 1 116 . 1 1 61 61 SER N N 15 118.959 0.1 . 1 . . . . 61 SER N . 15481 1 117 . 1 1 62 62 THR H H 1 9.121 0.01 . 1 . . . . 62 THR H . 15481 1 118 . 1 1 62 62 THR N N 15 126.262 0.1 . 1 . . . . 62 THR N . 15481 1 119 . 1 1 63 63 VAL H H 1 8.667 0.01 . 1 . . . . 63 VAL H . 15481 1 120 . 1 1 63 63 VAL N N 15 127.936 0.1 . 1 . . . . 63 VAL N . 15481 1 121 . 1 1 64 64 THR H H 1 7.974 0.01 . 1 . . . . 64 THR H . 15481 1 122 . 1 1 64 64 THR N N 15 119.434 0.1 . 1 . . . . 64 THR N . 15481 1 123 . 1 1 66 66 ASN H H 1 7.985 0.01 . 1 . . . . 66 ASN H . 15481 1 124 . 1 1 66 66 ASN N N 15 111.553 0.1 . 1 . . . . 66 ASN N . 15481 1 125 . 1 1 67 67 MET H H 1 7.570 0.01 . 1 . . . . 67 MET H . 15481 1 126 . 1 1 67 67 MET N N 15 121.580 0.1 . 1 . . . . 67 MET N . 15481 1 127 . 1 1 68 68 THR H H 1 8.811 0.01 . 1 . . . . 68 THR H . 15481 1 128 . 1 1 68 68 THR N N 15 115.704 0.1 . 1 . . . . 68 THR N . 15481 1 129 . 1 1 69 69 PHE H H 1 8.600 0.01 . 1 . . . . 69 PHE H . 15481 1 130 . 1 1 69 69 PHE N N 15 128.954 0.1 . 1 . . . . 69 PHE N . 15481 1 131 . 1 1 70 70 THR H H 1 8.814 0.01 . 1 . . . . 70 THR H . 15481 1 132 . 1 1 70 70 THR N N 15 124.844 0.1 . 1 . . . . 70 THR N . 15481 1 133 . 1 1 71 71 LYS H H 1 8.795 0.01 . 1 . . . . 71 LYS H . 15481 1 134 . 1 1 71 71 LYS N N 15 127.001 0.1 . 1 . . . . 71 LYS N . 15481 1 135 . 1 1 72 72 THR H H 1 8.677 0.01 . 1 . . . . 72 THR H . 15481 1 136 . 1 1 72 72 THR N N 15 120.797 0.1 . 1 . . . . 72 THR N . 15481 1 137 . 1 1 73 73 SER H H 1 8.547 0.01 . 1 . . . . 73 SER H . 15481 1 138 . 1 1 73 73 SER N N 15 116.341 0.1 . 1 . . . . 73 SER N . 15481 1 139 . 1 1 74 74 GLN H H 1 8.145 0.01 . 1 . . . . 74 GLN H . 15481 1 140 . 1 1 74 74 GLN N N 15 120.601 0.1 . 1 . . . . 74 GLN N . 15481 1 141 . 1 1 75 75 LYS H H 1 7.815 0.01 . 1 . . . . 75 LYS H . 15481 1 142 . 1 1 75 75 LYS N N 15 118.324 0.1 . 1 . . . . 75 LYS N . 15481 1 143 . 1 1 76 76 PHE H H 1 7.537 0.01 . 1 . . . . 76 PHE H . 15481 1 144 . 1 1 76 76 PHE N N 15 124.053 0.1 . 1 . . . . 76 PHE N . 15481 1 145 . 1 1 77 77 GLY H H 1 8.110 0.01 . 1 . . . . 77 GLY H . 15481 1 146 . 1 1 77 77 GLY N N 15 112.721 0.1 . 1 . . . . 77 GLY N . 15481 1 147 . 1 1 78 78 GLN H H 1 8.078 0.01 . 1 . . . . 78 GLN H . 15481 1 148 . 1 1 78 78 GLN N N 15 113.595 0.1 . 1 . . . . 78 GLN N . 15481 1 149 . 1 1 79 79 TRP H H 1 9.050 0.01 . 1 . . . . 79 TRP H . 15481 1 150 . 1 1 79 79 TRP HE1 H 1 10.143 0.01 . 1 . . . . 79 TRP HE1 . 15481 1 151 . 1 1 79 79 TRP N N 15 119.657 0.1 . 1 . . . . 79 TRP N . 15481 1 152 . 1 1 79 79 TRP NE1 N 15 126.519 0.1 . 1 . . . . 79 TRP NE1 . 15481 1 153 . 1 1 80 80 ALA H H 1 8.677 0.01 . 1 . . . . 80 ALA H . 15481 1 154 . 1 1 80 80 ALA N N 15 123.040 0.1 . 1 . . . . 80 ALA N . 15481 1 155 . 1 1 81 81 ASP H H 1 8.409 0.01 . 1 . . . . 81 ASP H . 15481 1 156 . 1 1 81 81 ASP N N 15 121.936 0.1 . 1 . . . . 81 ASP N . 15481 1 157 . 1 1 82 82 SER H H 1 9.051 0.01 . 1 . . . . 82 SER H . 15481 1 158 . 1 1 82 82 SER N N 15 121.325 0.1 . 1 . . . . 82 SER N . 15481 1 159 . 1 1 83 83 ARG H H 1 8.451 0.01 . 1 . . . . 83 ARG H . 15481 1 160 . 1 1 83 83 ARG N N 15 124.090 0.1 . 1 . . . . 83 ARG N . 15481 1 161 . 1 1 84 84 ALA H H 1 7.956 0.01 . 1 . . . . 84 ALA H . 15481 1 162 . 1 1 84 84 ALA N N 15 120.664 0.1 . 1 . . . . 84 ALA N . 15481 1 163 . 1 1 85 85 ASN H H 1 7.982 0.01 . 1 . . . . 85 ASN H . 15481 1 164 . 1 1 85 85 ASN N N 15 116.586 0.1 . 1 . . . . 85 ASN N . 15481 1 165 . 1 1 86 86 THR H H 1 7.727 0.01 . 1 . . . . 86 THR H . 15481 1 166 . 1 1 86 86 THR N N 15 110.204 0.1 . 1 . . . . 86 THR N . 15481 1 167 . 1 1 87 87 VAL H H 1 7.880 0.01 . 1 . . . . 87 VAL H . 15481 1 168 . 1 1 87 87 VAL N N 15 124.080 0.1 . 1 . . . . 87 VAL N . 15481 1 169 . 1 1 88 88 TYR H H 1 8.379 0.01 . 1 . . . . 88 TYR H . 15481 1 170 . 1 1 88 88 TYR N N 15 125.533 0.1 . 1 . . . . 88 TYR N . 15481 1 171 . 1 1 89 89 GLY H H 1 8.612 0.01 . 1 . . . . 89 GLY H . 15481 1 172 . 1 1 89 89 GLY N N 15 108.328 0.1 . 1 . . . . 89 GLY N . 15481 1 173 . 1 1 90 90 LEU H H 1 8.285 0.01 . 1 . . . . 90 LEU H . 15481 1 174 . 1 1 90 90 LEU N N 15 121.912 0.1 . 1 . . . . 90 LEU N . 15481 1 175 . 1 1 91 91 GLY H H 1 9.251 0.01 . 1 . . . . 91 GLY H . 15481 1 176 . 1 1 91 91 GLY N N 15 106.558 0.1 . 1 . . . . 91 GLY N . 15481 1 177 . 1 1 92 92 PHE H H 1 9.313 0.01 . 1 . . . . 92 PHE H . 15481 1 178 . 1 1 92 92 PHE N N 15 124.349 0.1 . 1 . . . . 92 PHE N . 15481 1 179 . 1 1 93 93 ALA H H 1 9.808 0.01 . 1 . . . . 93 ALA H . 15481 1 180 . 1 1 93 93 ALA N N 15 121.497 0.1 . 1 . . . . 93 ALA N . 15481 1 181 . 1 1 94 94 SER H H 1 7.568 0.01 . 1 . . . . 94 SER H . 15481 1 182 . 1 1 94 94 SER N N 15 107.464 0.1 . 1 . . . . 94 SER N . 15481 1 183 . 1 1 95 95 GLU H H 1 9.622 0.01 . 1 . . . . 95 GLU H . 15481 1 184 . 1 1 95 95 GLU N N 15 124.842 0.1 . 1 . . . . 95 GLU N . 15481 1 185 . 1 1 96 96 GLN H H 1 8.461 0.01 . 1 . . . . 96 GLN H . 15481 1 186 . 1 1 96 96 GLN N N 15 119.791 0.1 . 1 . . . . 96 GLN N . 15481 1 187 . 1 1 97 97 HIS H H 1 7.796 0.01 . 1 . . . . 97 HIS H . 15481 1 188 . 1 1 97 97 HIS N N 15 118.476 0.1 . 1 . . . . 97 HIS N . 15481 1 189 . 1 1 98 98 LEU H H 1 7.174 0.01 . 1 . . . . 98 LEU H . 15481 1 190 . 1 1 98 98 LEU N N 15 122.561 0.1 . 1 . . . . 98 LEU N . 15481 1 191 . 1 1 99 99 THR H H 1 8.557 0.01 . 1 . . . . 99 THR H . 15481 1 192 . 1 1 99 99 THR N N 15 117.203 0.1 . 1 . . . . 99 THR N . 15481 1 193 . 1 1 100 100 GLN H H 1 8.222 0.01 . 1 . . . . 100 GLN H . 15481 1 194 . 1 1 100 100 GLN N N 15 119.775 0.1 . 1 . . . . 100 GLN N . 15481 1 195 . 1 1 101 101 PHE H H 1 7.876 0.01 . 1 . . . . 101 PHE H . 15481 1 196 . 1 1 101 101 PHE N N 15 120.855 0.1 . 1 . . . . 101 PHE N . 15481 1 197 . 1 1 102 102 ALA H H 1 8.727 0.01 . 1 . . . . 102 ALA H . 15481 1 198 . 1 1 102 102 ALA N N 15 122.462 0.1 . 1 . . . . 102 ALA N . 15481 1 199 . 1 1 103 103 GLU H H 1 8.456 0.01 . 1 . . . . 103 GLU H . 15481 1 200 . 1 1 103 103 GLU N N 15 119.444 0.1 . 1 . . . . 103 GLU N . 15481 1 201 . 1 1 104 104 LYS H H 1 7.263 0.01 . 1 . . . . 104 LYS H . 15481 1 202 . 1 1 104 104 LYS N N 15 121.075 0.1 . 1 . . . . 104 LYS N . 15481 1 203 . 1 1 105 105 PHE H H 1 7.888 0.01 . 1 . . . . 105 PHE H . 15481 1 204 . 1 1 105 105 PHE N N 15 122.148 0.1 . 1 . . . . 105 PHE N . 15481 1 205 . 1 1 106 106 GLN H H 1 7.591 0.01 . 1 . . . . 106 GLN H . 15481 1 206 . 1 1 106 106 GLN N N 15 115.982 0.1 . 1 . . . . 106 GLN N . 15481 1 207 . 1 1 107 107 GLU H H 1 7.658 0.01 . 1 . . . . 107 GLU H . 15481 1 208 . 1 1 107 107 GLU N N 15 119.976 0.1 . 1 . . . . 107 GLU N . 15481 1 209 . 1 1 108 108 VAL H H 1 8.254 0.01 . 1 . . . . 108 VAL H . 15481 1 210 . 1 1 108 108 VAL N N 15 118.099 0.1 . 1 . . . . 108 VAL N . 15481 1 211 . 1 1 109 109 LYS H H 1 8.200 0.01 . 1 . . . . 109 LYS H . 15481 1 212 . 1 1 109 109 LYS N N 15 122.942 0.1 . 1 . . . . 109 LYS N . 15481 1 213 . 1 1 110 110 GLU H H 1 7.653 0.01 . 1 . . . . 110 GLU H . 15481 1 214 . 1 1 110 110 GLU N N 15 118.740 0.1 . 1 . . . . 110 GLU N . 15481 1 215 . 1 1 111 111 ALA H H 1 7.803 0.01 . 1 . . . . 111 ALA H . 15481 1 216 . 1 1 111 111 ALA N N 15 123.275 0.1 . 1 . . . . 111 ALA N . 15481 1 217 . 1 1 112 112 ALA H H 1 8.452 0.01 . 1 . . . . 112 ALA H . 15481 1 218 . 1 1 112 112 ALA N N 15 121.705 0.1 . 1 . . . . 112 ALA N . 15481 1 219 . 1 1 113 113 ARG H H 1 8.095 0.01 . 1 . . . . 113 ARG H . 15481 1 220 . 1 1 113 113 ARG N N 15 120.781 0.1 . 1 . . . . 113 ARG N . 15481 1 221 . 1 1 114 114 LEU H H 1 8.106 0.01 . 1 . . . . 114 LEU H . 15481 1 222 . 1 1 114 114 LEU N N 15 119.926 0.1 . 1 . . . . 114 LEU N . 15481 1 223 . 1 1 115 115 ALA H H 1 7.956 0.01 . 1 . . . . 115 ALA H . 15481 1 224 . 1 1 115 115 ALA N N 15 121.676 0.1 . 1 . . . . 115 ALA N . 15481 1 225 . 1 1 116 116 ARG H H 1 8.387 0.01 . 1 . . . . 116 ARG H . 15481 1 226 . 1 1 116 116 ARG N N 15 122.406 0.1 . 1 . . . . 116 ARG N . 15481 1 227 . 1 1 117 117 GLU H H 1 8.025 0.01 . 1 . . . . 117 GLU H . 15481 1 228 . 1 1 117 117 GLU N N 15 127.168 0.1 . 1 . . . . 117 GLU N . 15481 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 15481 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units ms _Heteronucl_T1_list.Details 'relaxation times used (in ms): 12, 52, 102, 152, 202, 302, 402, 602, 902, 2002, 5002' _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 4 '2D 1H-15N HSQC - T1 series' . . . 15481 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 3 $CcpNmr_Analysis . . 15481 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 MET N N 15 586.31 70.48 . . . . . 15481 1 2 . 1 1 3 3 ALA N N 15 662.42 317.37 . . . . . 15481 1 3 . 1 1 4 4 ARG N N 15 577.48 100.54 . . . . . 15481 1 4 . 1 1 5 5 GLU N N 15 613.13 40.79 . . . . . 15481 1 5 . 1 1 6 6 GLN N N 15 697.30 15.55 . . . . . 15481 1 6 . 1 1 9 9 PHE N N 15 640.36 93.13 . . . . . 15481 1 7 . 1 1 10 10 SER N N 15 632.33 73.64 . . . . . 15481 1 8 . 1 1 13 13 ALA N N 15 703.41 49.52 . . . . . 15481 1 9 . 1 1 14 14 HIS N N 15 735.01 53.12 . . . . . 15481 1 10 . 1 1 15 15 VAL N N 15 764.22 31.68 . . . . . 15481 1 11 . 1 1 16 16 PHE N N 15 739.70 46.54 . . . . . 15481 1 12 . 1 1 18 18 ILE N N 15 818.66 131.31 . . . . . 15481 1 13 . 1 1 19 19 ASP N N 15 735.15 79.21 . . . . . 15481 1 14 . 1 1 22 22 THR N N 15 714.17 16.51 . . . . . 15481 1 15 . 1 1 23 23 LYS N N 15 643.85 59.84 . . . . . 15481 1 16 . 1 1 24 24 ARG N N 15 688.06 36.14 . . . . . 15481 1 17 . 1 1 26 26 TRP N N 15 797.06 55.98 . . . . . 15481 1 18 . 1 1 27 27 ILE N N 15 835.16 57.86 . . . . . 15481 1 19 . 1 1 29 29 ALA N N 15 733.82 71.40 . . . . . 15481 1 20 . 1 1 30 30 GLY N N 15 1008.73 55.21 . . . . . 15481 1 21 . 1 1 32 32 HIS N N 15 633.28 99.70 . . . . . 15481 1 22 . 1 1 33 33 ALA N N 15 612.54 101.92 . . . . . 15481 1 23 . 1 1 34 34 LEU N N 15 700.83 48.71 . . . . . 15481 1 24 . 1 1 35 35 THR N N 15 730.97 67.72 . . . . . 15481 1 25 . 1 1 36 36 VAL N N 15 704.54 75.39 . . . . . 15481 1 26 . 1 1 37 37 SER N N 15 727.85 48.65 . . . . . 15481 1 27 . 1 1 38 38 TYR N N 15 732.83 127.98 . . . . . 15481 1 28 . 1 1 39 39 PHE N N 15 713.04 84.24 . . . . . 15481 1 29 . 1 1 40 40 TYR N N 15 723.15 42.77 . . . . . 15481 1 30 . 1 1 41 41 ASP N N 15 708.09 70.82 . . . . . 15481 1 31 . 1 1 42 42 ALA N N 15 740.31 53.84 . . . . . 15481 1 32 . 1 1 43 43 THR N N 15 736.93 63.04 . . . . . 15481 1 33 . 1 1 44 44 ARG N N 15 758.59 72.73 . . . . . 15481 1 34 . 1 1 45 45 ASN N N 15 701.05 25.86 . . . . . 15481 1 35 . 1 1 46 46 VAL N N 15 689.86 63.95 . . . . . 15481 1 36 . 1 1 47 47 TYR N N 15 694.42 87.22 . . . . . 15481 1 37 . 1 1 48 48 ARG N N 15 718.67 88.15 . . . . . 15481 1 38 . 1 1 49 49 ILE N N 15 738.30 68.37 . . . . . 15481 1 39 . 1 1 50 50 ILE N N 15 723.17 46.05 . . . . . 15481 1 40 . 1 1 51 51 SER N N 15 649.85 45.83 . . . . . 15481 1 41 . 1 1 52 52 ILE N N 15 708.42 42.88 . . . . . 15481 1 42 . 1 1 53 53 GLY N N 15 669.36 105.13 . . . . . 15481 1 43 . 1 1 56 56 LYS N N 15 652.78 73.65 . . . . . 15481 1 44 . 1 1 57 57 ALA N N 15 589.59 231.01 . . . . . 15481 1 45 . 1 1 59 59 ILE N N 15 720.15 66.98 . . . . . 15481 1 46 . 1 1 60 60 ASN N N 15 654.98 47.02 . . . . . 15481 1 47 . 1 1 61 61 SER N N 15 723.27 42.26 . . . . . 15481 1 48 . 1 1 62 62 THR N N 15 726.44 57.62 . . . . . 15481 1 49 . 1 1 63 63 VAL N N 15 674.59 48.28 . . . . . 15481 1 50 . 1 1 64 64 THR N N 15 847.27 57.58 . . . . . 15481 1 51 . 1 1 67 67 MET N N 15 760.26 139.14 . . . . . 15481 1 52 . 1 1 68 68 THR N N 15 677.71 62.67 . . . . . 15481 1 53 . 1 1 69 69 PHE N N 15 746.74 78.50 . . . . . 15481 1 54 . 1 1 70 70 THR N N 15 700.19 56.99 . . . . . 15481 1 55 . 1 1 71 71 LYS N N 15 690.27 35.16 . . . . . 15481 1 56 . 1 1 72 72 THR N N 15 791.95 56.42 . . . . . 15481 1 57 . 1 1 73 73 SER N N 15 736.54 69.88 . . . . . 15481 1 58 . 1 1 74 74 GLN N N 15 641.83 25.37 . . . . . 15481 1 59 . 1 1 76 76 PHE N N 15 652.50 59.43 . . . . . 15481 1 60 . 1 1 77 77 GLY N N 15 699.90 40.26 . . . . . 15481 1 61 . 1 1 78 78 GLN N N 15 673.27 49.26 . . . . . 15481 1 62 . 1 1 79 79 TRP N N 15 692.06 34.33 . . . . . 15481 1 63 . 1 1 80 80 ALA N N 15 727.32 46.20 . . . . . 15481 1 64 . 1 1 81 81 ASP N N 15 741.33 195.71 . . . . . 15481 1 65 . 1 1 83 83 ARG N N 15 627.49 63.20 . . . . . 15481 1 66 . 1 1 84 84 ALA N N 15 728.49 27.28 . . . . . 15481 1 67 . 1 1 85 85 ASN N N 15 747.57 59.88 . . . . . 15481 1 68 . 1 1 86 86 THR N N 15 763.00 58.38 . . . . . 15481 1 69 . 1 1 87 87 VAL N N 15 732.95 70.14 . . . . . 15481 1 70 . 1 1 89 89 GLY N N 15 668.84 51.72 . . . . . 15481 1 71 . 1 1 90 90 LEU N N 15 671.26 41.51 . . . . . 15481 1 72 . 1 1 91 91 GLY N N 15 729.44 101.41 . . . . . 15481 1 73 . 1 1 92 92 PHE N N 15 738.74 56.44 . . . . . 15481 1 74 . 1 1 93 93 ALA N N 15 599.06 52.27 . . . . . 15481 1 75 . 1 1 94 94 SER N N 15 757.64 41.69 . . . . . 15481 1 76 . 1 1 95 95 GLU N N 15 615.08 119.91 . . . . . 15481 1 77 . 1 1 98 98 LEU N N 15 762.27 99.05 . . . . . 15481 1 78 . 1 1 100 100 GLN N N 15 723.23 72.10 . . . . . 15481 1 79 . 1 1 101 101 PHE N N 15 788.68 50.41 . . . . . 15481 1 80 . 1 1 102 102 ALA N N 15 714.57 54.00 . . . . . 15481 1 81 . 1 1 104 104 LYS N N 15 744.10 53.19 . . . . . 15481 1 82 . 1 1 105 105 PHE N N 15 721.00 42.29 . . . . . 15481 1 83 . 1 1 107 107 GLU N N 15 761.85 41.97 . . . . . 15481 1 84 . 1 1 108 108 VAL N N 15 706.96 49.23 . . . . . 15481 1 85 . 1 1 110 110 GLU N N 15 725.94 33.02 . . . . . 15481 1 86 . 1 1 111 111 ALA N N 15 765.03 73.99 . . . . . 15481 1 87 . 1 1 112 112 ALA N N 15 719.25 24.01 . . . . . 15481 1 88 . 1 1 113 113 ARG N N 15 705.90 34.77 . . . . . 15481 1 89 . 1 1 115 115 ALA N N 15 742.19 33.59 . . . . . 15481 1 90 . 1 1 116 116 ARG N N 15 636.83 100.07 . . . . . 15481 1 91 . 1 1 117 117 GLU N N 15 998.31 34.41 . . . . . 15481 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 15481 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units ms _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details 'relaxation times used (in ms): 6, 10, 18, 26, 34, 42, 82, 122, 162, 202, 242' _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 5 '2D 1H-15N HSQC - T2 series' . . . 15481 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 3 $CcpNmr_Analysis . . 15481 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 MET N N 15 200.55 14.49 . . . . . . . 15481 1 2 . 1 1 3 3 ALA N N 15 193.19 27.47 . . . . . . . 15481 1 3 . 1 1 4 4 ARG N N 15 187.65 22.57 . . . . . . . 15481 1 4 . 1 1 5 5 GLU N N 15 144.00 7.30 . . . . . . . 15481 1 5 . 1 1 6 6 GLN N N 15 124.12 5.56 . . . . . . . 15481 1 6 . 1 1 9 9 PHE N N 15 82.69 3.39 . . . . . . . 15481 1 7 . 1 1 10 10 SER N N 15 74.40 5.66 . . . . . . . 15481 1 8 . 1 1 13 13 ALA N N 15 81.90 2.27 . . . . . . . 15481 1 9 . 1 1 14 14 HIS N N 15 80.35 3.29 . . . . . . . 15481 1 10 . 1 1 15 15 VAL N N 15 91.39 4.34 . . . . . . . 15481 1 11 . 1 1 16 16 PHE N N 15 81.40 3.08 . . . . . . . 15481 1 12 . 1 1 18 18 ILE N N 15 69.84 2.46 . . . . . . . 15481 1 13 . 1 1 19 19 ASP N N 15 82.51 2.58 . . . . . . . 15481 1 14 . 1 1 22 22 THR N N 15 78.92 7.99 . . . . . . . 15481 1 15 . 1 1 23 23 LYS N N 15 83.36 3.42 . . . . . . . 15481 1 16 . 1 1 24 24 ARG N N 15 85.51 4.13 . . . . . . . 15481 1 17 . 1 1 26 26 TRP N N 15 85.56 5.22 . . . . . . . 15481 1 18 . 1 1 27 27 ILE N N 15 73.70 3.85 . . . . . . . 15481 1 19 . 1 1 29 29 ALA N N 15 87.56 4.23 . . . . . . . 15481 1 20 . 1 1 30 30 GLY N N 15 164.49 7.15 . . . . . . . 15481 1 21 . 1 1 32 32 HIS N N 15 89.57 7.59 . . . . . . . 15481 1 22 . 1 1 33 33 ALA N N 15 75.38 6.49 . . . . . . . 15481 1 23 . 1 1 34 34 LEU N N 15 82.68 5.57 . . . . . . . 15481 1 24 . 1 1 35 35 THR N N 15 76.56 2.65 . . . . . . . 15481 1 25 . 1 1 36 36 VAL N N 15 69.29 4.50 . . . . . . . 15481 1 26 . 1 1 37 37 SER N N 15 81.58 4.64 . . . . . . . 15481 1 27 . 1 1 38 38 TYR N N 15 78.15 3.90 . . . . . . . 15481 1 28 . 1 1 39 39 PHE N N 15 75.60 3.59 . . . . . . . 15481 1 29 . 1 1 40 40 TYR N N 15 81.77 5.00 . . . . . . . 15481 1 30 . 1 1 41 41 ASP N N 15 82.41 3.94 . . . . . . . 15481 1 31 . 1 1 42 42 ALA N N 15 87.09 2.97 . . . . . . . 15481 1 32 . 1 1 43 43 THR N N 15 85.45 2.29 . . . . . . . 15481 1 33 . 1 1 44 44 ARG N N 15 88.59 3.75 . . . . . . . 15481 1 34 . 1 1 45 45 ASN N N 15 83.21 3.80 . . . . . . . 15481 1 35 . 1 1 46 46 VAL N N 15 84.50 9.30 . . . . . . . 15481 1 36 . 1 1 47 47 TYR N N 15 84.66 5.45 . . . . . . . 15481 1 37 . 1 1 48 48 ARG N N 15 80.09 3.62 . . . . . . . 15481 1 38 . 1 1 49 49 ILE N N 15 82.94 5.88 . . . . . . . 15481 1 39 . 1 1 50 50 ILE N N 15 81.09 1.94 . . . . . . . 15481 1 40 . 1 1 51 51 SER N N 15 71.88 4.02 . . . . . . . 15481 1 41 . 1 1 52 52 ILE N N 15 66.14 3.13 . . . . . . . 15481 1 42 . 1 1 53 53 GLY N N 15 80.67 8.35 . . . . . . . 15481 1 43 . 1 1 56 56 LYS N N 15 106.22 3.10 . . . . . . . 15481 1 44 . 1 1 57 57 ALA N N 15 106.07 10.27 . . . . . . . 15481 1 45 . 1 1 59 59 ILE N N 15 74.16 3.57 . . . . . . . 15481 1 46 . 1 1 60 60 ASN N N 15 81.87 3.04 . . . . . . . 15481 1 47 . 1 1 61 61 SER N N 15 86.65 3.50 . . . . . . . 15481 1 48 . 1 1 62 62 THR N N 15 85.00 3.44 . . . . . . . 15481 1 49 . 1 1 63 63 VAL N N 15 83.46 3.19 . . . . . . . 15481 1 50 . 1 1 64 64 THR N N 15 76.68 6.26 . . . . . . . 15481 1 51 . 1 1 67 67 MET N N 15 77.48 2.74 . . . . . . . 15481 1 52 . 1 1 68 68 THR N N 15 80.94 6.75 . . . . . . . 15481 1 53 . 1 1 69 69 PHE N N 15 73.93 2.76 . . . . . . . 15481 1 54 . 1 1 70 70 THR N N 15 67.33 4.40 . . . . . . . 15481 1 55 . 1 1 71 71 LYS N N 15 92.04 4.43 . . . . . . . 15481 1 56 . 1 1 72 72 THR N N 15 51.26 5.36 . . . . . . . 15481 1 57 . 1 1 73 73 SER N N 15 76.04 3.78 . . . . . . . 15481 1 58 . 1 1 74 74 GLN N N 15 119.75 4.19 . . . . . . . 15481 1 59 . 1 1 76 76 PHE N N 15 70.80 3.94 . . . . . . . 15481 1 60 . 1 1 77 77 GLY N N 15 80.41 3.18 . . . . . . . 15481 1 61 . 1 1 78 78 GLN N N 15 82.14 3.54 . . . . . . . 15481 1 62 . 1 1 79 79 TRP N N 15 67.90 6.78 . . . . . . . 15481 1 63 . 1 1 80 80 ALA N N 15 73.28 1.50 . . . . . . . 15481 1 64 . 1 1 81 81 ASP N N 15 80.56 3.22 . . . . . . . 15481 1 65 . 1 1 83 83 ARG N N 15 82.63 8.62 . . . . . . . 15481 1 66 . 1 1 84 84 ALA N N 15 90.97 1.35 . . . . . . . 15481 1 67 . 1 1 85 85 ASN N N 15 86.77 4.72 . . . . . . . 15481 1 68 . 1 1 86 86 THR N N 15 53.60 6.22 . . . . . . . 15481 1 69 . 1 1 87 87 VAL N N 15 82.43 4.41 . . . . . . . 15481 1 70 . 1 1 89 89 GLY N N 15 70.93 6.02 . . . . . . . 15481 1 71 . 1 1 90 90 LEU N N 15 83.15 3.37 . . . . . . . 15481 1 72 . 1 1 91 91 GLY N N 15 73.92 5.67 . . . . . . . 15481 1 73 . 1 1 92 92 PHE N N 15 82.71 4.20 . . . . . . . 15481 1 74 . 1 1 93 93 ALA N N 15 76.16 4.50 . . . . . . . 15481 1 75 . 1 1 94 94 SER N N 15 72.36 6.91 . . . . . . . 15481 1 76 . 1 1 95 95 GLU N N 15 56.17 5.00 . . . . . . . 15481 1 77 . 1 1 98 98 LEU N N 15 75.38 2.78 . . . . . . . 15481 1 78 . 1 1 100 100 GLN N N 15 71.89 1.22 . . . . . . . 15481 1 79 . 1 1 101 101 PHE N N 15 66.54 4.83 . . . . . . . 15481 1 80 . 1 1 102 102 ALA N N 15 70.19 1.57 . . . . . . . 15481 1 81 . 1 1 104 104 LYS N N 15 72.17 2.21 . . . . . . . 15481 1 82 . 1 1 105 105 PHE N N 15 65.04 3.29 . . . . . . . 15481 1 83 . 1 1 107 107 GLU N N 15 73.66 1.35 . . . . . . . 15481 1 84 . 1 1 108 108 VAL N N 15 65.82 3.11 . . . . . . . 15481 1 85 . 1 1 110 110 GLU N N 15 74.53 1.97 . . . . . . . 15481 1 86 . 1 1 111 111 ALA N N 15 73.09 2.79 . . . . . . . 15481 1 87 . 1 1 112 112 ALA N N 15 75.24 3.07 . . . . . . . 15481 1 88 . 1 1 113 113 ARG N N 15 89.32 6.94 . . . . . . . 15481 1 89 . 1 1 115 115 ALA N N 15 89.29 2.09 . . . . . . . 15481 1 90 . 1 1 116 116 ARG N N 15 228.87 23.79 . . . . . . . 15481 1 91 . 1 1 117 117 GLU N N 15 534.63 69.36 . . . . . . . 15481 1 stop_ save_