data_15923 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15923 _Entry.Title ; Ca2+-S100B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-08-17 _Entry.Accession_date 2008-08-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'C2+-S100B with RDC' _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 Nathan Wright . T. . 15923 2 Keith Inman . G. . 15923 3 Jonathan Levine . A. . 15923 4 David Weber . J. . 15923 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' 'not applicable' . 15923 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'calcium binding' . 15923 EF-hand . 15923 'S100 protein' . 15923 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 2 15923 heteronucl_T1_relaxation 2 15923 heteronucl_T2_relaxation 2 15923 RDCs 1 15923 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'heteronuclear NOE values' 157 15923 'residual dipolar couplings' 167 15923 'T1 relaxation values' 158 15923 'T2 relaxation values' 158 15923 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 5 . . 2011-08-16 2008-08-17 update BMRB 'T1 and T2 units changed from s-1 to s' 15923 4 . . 2010-05-27 2008-08-17 update BMRB 'update entity/assembly name' 15923 3 . . 2009-02-27 2008-08-17 update BMRB 'complete entry citation' 15923 2 . . 2009-02-17 2008-08-17 update BMRB 'correct residue type data tables' 15923 1 . . 2008-10-28 2008-08-17 original author 'original release' 15923 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1B4C apo-S100B 15923 PDB 1QLK 'Ca2+-S100B, no RDC' 15923 PDB 2K7O 'BMRB Entry Tracking System' 15923 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15923 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18949447 _Citation.Full_citation . _Citation.Title 'Refinement of the solution structure and dynamic properties of Ca2+-bound rat S100B' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 42 _Citation.Journal_issue 4 _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 279 _Citation.Page_last 286 _Citation.Year 2008 _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 Nathan Wright . T. . 15923 1 2 Keith Inman . G. . 15923 1 3 Jonathan Levine . A. . 15923 1 4 Brian Cannon . R. . 15923 1 5 Kristen Varney . M. . 15923 1 6 David Weber . J. . 15923 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15923 _Assembly.ID 1 _Assembly.Name 'rat S100B' _Assembly.BMRB_code . _Assembly.Number_of_components 5 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'entity_1, chain 1' 1 $entity_1 A . yes native no no 1 . . 15923 1 2 'entity_1, chain 2' 1 $entity_1 B . yes native no no 1 . . 15923 1 3 'CALCIUM ION_1' 2 $CA C . no native no no . . . 15923 1 4 'CALCIUM ION_2' 2 $CA D . no native no no . . . 15923 1 5 'CALCIUM ION_3' 2 $CA E . no native no no . . . 15923 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 15923 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'rat S100B' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SELEKAMVALIDVFHQYSGR EGDKHKLKKSELKELINNEL SHFLEEIKEQEVVDKVMETL DEDGDGECDFQEFMAFVSMV TTACHEFFEHE ; _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 yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 91 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10649.006 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4001 . S100beta . . . . . 100.00 92 100.00 100.00 2.67e-56 . . . . 15923 1 2 no BMRB 4099 . "S100B beta" . . . . . 100.00 91 100.00 100.00 2.68e-56 . . . . 15923 1 3 no BMRB 4105 . S100B . . . . . 100.00 92 100.00 100.00 2.67e-56 . . . . 15923 1 4 no BMRB 4702 . "S100B beta" . . . . . 100.00 91 100.00 100.00 2.68e-56 . . . . 15923 1 5 no PDB 1B4C . "Solution Structure Of Rat Apo-S100b Using Dipolar Couplings" . . . . . 100.00 92 100.00 100.00 2.67e-56 . . . . 15923 1 6 no PDB 1DT7 . "Solution Structure Of The C-Terminal Negative Regulatory Domain Of P53 In A Complex With Ca2+-Bound S100b(Bb)" . . . . . 100.00 92 100.00 100.00 2.67e-56 . . . . 15923 1 7 no PDB 1MQ1 . "Ca2+-S100b-Trtk-12 Complex" . . . . . 100.00 91 97.80 98.90 2.79e-55 . . . . 15923 1 8 no PDB 1MWN . "Solution Nmr Structure Of S100b Bound To The High-Affinity Target Peptide Trtk-12" . . . . . 100.00 92 100.00 100.00 2.67e-56 . . . . 15923 1 9 no PDB 1QLK . "Solution Structure Of Ca(2+)-Loaded Rat S100b (Betabeta) Nmr, 20 Structures" . . . . . 100.00 92 100.00 100.00 2.67e-56 . . . . 15923 1 10 no PDB 1SYM . "3-D Solution Structure Of Reduced Apo-S100b From Rat, Nmr, 20 Structures" . . . . . 100.00 92 100.00 100.00 2.67e-56 . . . . 15923 1 11 no PDB 1UWO . "Calcium Form Of Human S100b, Nmr, 20 Structures" . . . . . 100.00 91 97.80 98.90 2.79e-55 . . . . 15923 1 12 no PDB 1XYD . "Nmr Solution Structure Of Rat Zinc-Calcium-S100b, 20 Structures" . . . . . 100.00 92 100.00 100.00 2.67e-56 . . . . 15923 1 13 no PDB 2H61 . "X-ray Structure Of Human Ca2+-loaded S100b" . . . . . 100.00 92 97.80 98.90 2.88e-55 . . . . 15923 1 14 no PDB 2K7O . "Ca2+-s100b, Refined With Rdcs" . . . . . 100.00 91 100.00 100.00 2.68e-56 . . . . 15923 1 15 no PDB 2M49 . "Structural Insights Into Human S100b And Basic Fibroblast Growth Factor (fgf2) Interaction" . . . . . 100.00 91 97.80 98.90 2.79e-55 . . . . 15923 1 16 no PDB 2PRU . "Nmr Structure Of Human Apos100b At 10c" . . . . . 100.00 91 97.80 98.90 2.79e-55 . . . . 15923 1 17 no PDB 3CZT . "Crystal Structure Of S100b In The Calcium And Zinc Loaded State At Ph 9" . . . . . 100.00 92 97.80 98.90 3.21e-55 . . . . 15923 1 18 no PDB 3D0Y . "Crystal Structure Of S100b In The Calcium And Zinc Loaded State At Ph 6.5" . . . . . 100.00 92 97.80 98.90 2.88e-55 . . . . 15923 1 19 no PDB 3D10 . "Crystal Structure Of S100b In The Calcium And Zinc Loaded State At Ph 10.0" . . . . . 100.00 92 97.80 98.90 3.21e-55 . . . . 15923 1 20 no PDB 3HCM . "Crystal Structure Of Human S100b In Complex With S45" . . . . . 100.00 92 97.80 98.90 3.21e-55 . . . . 15923 1 21 no PDB 4XYN . "X-ray Structure Of Ca(2+)-s100b With Human Rage-derived W61 Peptide" . . . . . 100.00 92 97.80 98.90 3.21e-55 . . . . 15923 1 22 no PDB 5CSF . "S100b-rsk1 Crystal Structure A" . . . . . 100.00 95 97.80 98.90 3.50e-55 . . . . 15923 1 23 no PDB 5CSI . "S100b-rsk1 Crystal Structure A'" . . . . . 100.00 95 97.80 98.90 3.50e-55 . . . . 15923 1 24 no PDB 5CSJ . "S100b-rsk1 Crystal Structure B" . . . . . 100.00 95 97.80 98.90 3.50e-55 . . . . 15923 1 25 no PDB 5CSN . "S100b-rsk1 Crystal Structure C" . . . . . 100.00 95 97.80 98.90 3.50e-55 . . . . 15923 1 26 no DBJ BAB43945 . "S100B [Cricetulus griseus]" . . . . . 100.00 92 97.80 98.90 2.67e-55 . . . . 15923 1 27 no DBJ BAE22214 . "unnamed protein product [Mus musculus]" . . . . . 100.00 92 98.90 100.00 6.61e-56 . . . . 15923 1 28 no DBJ BAE22413 . "unnamed protein product [Mus musculus]" . . . . . 100.00 92 98.90 100.00 6.61e-56 . . . . 15923 1 29 no DBJ BAE36647 . "unnamed protein product [Mus musculus]" . . . . . 100.00 92 98.90 100.00 6.61e-56 . . . . 15923 1 30 no DBJ BAE88979 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 92 97.80 98.90 2.91e-55 . . . . 15923 1 31 no EMBL CAA25567 . "unnamed protein product [Rattus norvegicus]" . . . . . 100.00 92 100.00 100.00 2.67e-56 . . . . 15923 1 32 no EMBL CAG46920 . "S100B [Homo sapiens]" . . . . . 100.00 92 97.80 98.90 3.21e-55 . . . . 15923 1 33 no GB AAA03075 . "S100 beta protein [Mus musculus domesticus]" . . . . . 100.00 92 98.90 100.00 6.61e-56 . . . . 15923 1 34 no GB AAA42096 . "S100 protein [Rattus norvegicus]" . . . . . 100.00 92 100.00 100.00 2.67e-56 . . . . 15923 1 35 no GB AAA60367 . "S100 protein beta subunit [Homo sapiens]" . . . . . 100.00 92 97.80 98.90 3.21e-55 . . . . 15923 1 36 no GB AAH01766 . "S100 calcium binding protein B [Homo sapiens]" . . . . . 100.00 92 97.80 98.90 3.21e-55 . . . . 15923 1 37 no GB AAH61178 . "S100 protein, beta polypeptide, neural [Mus musculus]" . . . . . 100.00 92 98.90 100.00 6.61e-56 . . . . 15923 1 38 no PRF 2003367B . "S-100 protein:SUBUNIT=beta" . . . . . 100.00 92 97.80 98.90 3.21e-55 . . . . 15923 1 39 no REF NP_001076199 . "protein S100-B [Oryctolagus cuniculus]" . . . . . 100.00 92 97.80 98.90 3.21e-55 . . . . 15923 1 40 no REF NP_001233735 . "protein S100-B [Cricetulus griseus]" . . . . . 100.00 92 97.80 98.90 2.67e-55 . . . . 15923 1 41 no REF NP_001247455 . "protein S100-B [Macaca mulatta]" . . . . . 100.00 92 97.80 98.90 2.91e-55 . . . . 15923 1 42 no REF NP_001270589 . "uncharacterized protein LOC101925200 [Macaca fascicularis]" . . . . . 100.00 92 97.80 98.90 2.91e-55 . . . . 15923 1 43 no REF NP_006263 . "protein S100-B [Homo sapiens]" . . . . . 100.00 92 97.80 98.90 3.21e-55 . . . . 15923 1 44 no SP P04271 . "RecName: Full=Protein S100-B; AltName: Full=S-100 protein beta chain; AltName: Full=S-100 protein subunit beta; AltName: Full=S" . . . . . 100.00 92 97.80 98.90 3.21e-55 . . . . 15923 1 45 no SP P04631 . "RecName: Full=Protein S100-B; AltName: Full=S-100 protein beta chain; AltName: Full=S-100 protein subunit beta; AltName: Full=S" . . . . . 100.00 92 100.00 100.00 2.67e-56 . . . . 15923 1 46 no SP P50114 . "RecName: Full=Protein S100-B; AltName: Full=S-100 protein beta chain; AltName: Full=S-100 protein subunit beta; AltName: Full=S" . . . . . 100.00 92 98.90 100.00 6.61e-56 . . . . 15923 1 47 no SP Q6YNR6 . "RecName: Full=Protein S100-B; AltName: Full=S-100 protein beta chain; AltName: Full=S-100 protein subunit beta; AltName: Full=S" . . . . . 100.00 92 97.80 98.90 3.21e-55 . . . . 15923 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 . 15923 1 2 . GLU . 15923 1 3 . LEU . 15923 1 4 . GLU . 15923 1 5 . LYS . 15923 1 6 . ALA . 15923 1 7 . MET . 15923 1 8 . VAL . 15923 1 9 . ALA . 15923 1 10 . LEU . 15923 1 11 . ILE . 15923 1 12 . ASP . 15923 1 13 . VAL . 15923 1 14 . PHE . 15923 1 15 . HIS . 15923 1 16 . GLN . 15923 1 17 . TYR . 15923 1 18 . SER . 15923 1 19 . GLY . 15923 1 20 . ARG . 15923 1 21 . GLU . 15923 1 22 . GLY . 15923 1 23 . ASP . 15923 1 24 . LYS . 15923 1 25 . HIS . 15923 1 26 . LYS . 15923 1 27 . LEU . 15923 1 28 . LYS . 15923 1 29 . LYS . 15923 1 30 . SER . 15923 1 31 . GLU . 15923 1 32 . LEU . 15923 1 33 . LYS . 15923 1 34 . GLU . 15923 1 35 . LEU . 15923 1 36 . ILE . 15923 1 37 . ASN . 15923 1 38 . ASN . 15923 1 39 . GLU . 15923 1 40 . LEU . 15923 1 41 . SER . 15923 1 42 . HIS . 15923 1 43 . PHE . 15923 1 44 . LEU . 15923 1 45 . GLU . 15923 1 46 . GLU . 15923 1 47 . ILE . 15923 1 48 . LYS . 15923 1 49 . GLU . 15923 1 50 . GLN . 15923 1 51 . GLU . 15923 1 52 . VAL . 15923 1 53 . VAL . 15923 1 54 . ASP . 15923 1 55 . LYS . 15923 1 56 . VAL . 15923 1 57 . MET . 15923 1 58 . GLU . 15923 1 59 . THR . 15923 1 60 . LEU . 15923 1 61 . ASP . 15923 1 62 . GLU . 15923 1 63 . ASP . 15923 1 64 . GLY . 15923 1 65 . ASP . 15923 1 66 . GLY . 15923 1 67 . GLU . 15923 1 68 . CYS . 15923 1 69 . ASP . 15923 1 70 . PHE . 15923 1 71 . GLN . 15923 1 72 . GLU . 15923 1 73 . PHE . 15923 1 74 . MET . 15923 1 75 . ALA . 15923 1 76 . PHE . 15923 1 77 . VAL . 15923 1 78 . SER . 15923 1 79 . MET . 15923 1 80 . VAL . 15923 1 81 . THR . 15923 1 82 . THR . 15923 1 83 . ALA . 15923 1 84 . CYS . 15923 1 85 . HIS . 15923 1 86 . GLU . 15923 1 87 . PHE . 15923 1 88 . PHE . 15923 1 89 . GLU . 15923 1 90 . HIS . 15923 1 91 . GLU . 15923 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 15923 1 . GLU 2 2 15923 1 . LEU 3 3 15923 1 . GLU 4 4 15923 1 . LYS 5 5 15923 1 . ALA 6 6 15923 1 . MET 7 7 15923 1 . VAL 8 8 15923 1 . ALA 9 9 15923 1 . LEU 10 10 15923 1 . ILE 11 11 15923 1 . ASP 12 12 15923 1 . VAL 13 13 15923 1 . PHE 14 14 15923 1 . HIS 15 15 15923 1 . GLN 16 16 15923 1 . TYR 17 17 15923 1 . SER 18 18 15923 1 . GLY 19 19 15923 1 . ARG 20 20 15923 1 . GLU 21 21 15923 1 . GLY 22 22 15923 1 . ASP 23 23 15923 1 . LYS 24 24 15923 1 . HIS 25 25 15923 1 . LYS 26 26 15923 1 . LEU 27 27 15923 1 . LYS 28 28 15923 1 . LYS 29 29 15923 1 . SER 30 30 15923 1 . GLU 31 31 15923 1 . LEU 32 32 15923 1 . LYS 33 33 15923 1 . GLU 34 34 15923 1 . LEU 35 35 15923 1 . ILE 36 36 15923 1 . ASN 37 37 15923 1 . ASN 38 38 15923 1 . GLU 39 39 15923 1 . LEU 40 40 15923 1 . SER 41 41 15923 1 . HIS 42 42 15923 1 . PHE 43 43 15923 1 . LEU 44 44 15923 1 . GLU 45 45 15923 1 . GLU 46 46 15923 1 . ILE 47 47 15923 1 . LYS 48 48 15923 1 . GLU 49 49 15923 1 . GLN 50 50 15923 1 . GLU 51 51 15923 1 . VAL 52 52 15923 1 . VAL 53 53 15923 1 . ASP 54 54 15923 1 . LYS 55 55 15923 1 . VAL 56 56 15923 1 . MET 57 57 15923 1 . GLU 58 58 15923 1 . THR 59 59 15923 1 . LEU 60 60 15923 1 . ASP 61 61 15923 1 . GLU 62 62 15923 1 . ASP 63 63 15923 1 . GLY 64 64 15923 1 . ASP 65 65 15923 1 . GLY 66 66 15923 1 . GLU 67 67 15923 1 . CYS 68 68 15923 1 . ASP 69 69 15923 1 . PHE 70 70 15923 1 . GLN 71 71 15923 1 . GLU 72 72 15923 1 . PHE 73 73 15923 1 . MET 74 74 15923 1 . ALA 75 75 15923 1 . PHE 76 76 15923 1 . VAL 77 77 15923 1 . SER 78 78 15923 1 . MET 79 79 15923 1 . VAL 80 80 15923 1 . THR 81 81 15923 1 . THR 82 82 15923 1 . ALA 83 83 15923 1 . CYS 84 84 15923 1 . HIS 85 85 15923 1 . GLU 86 86 15923 1 . PHE 87 87 15923 1 . PHE 88 88 15923 1 . GLU 89 89 15923 1 . HIS 90 90 15923 1 . GLU 91 91 15923 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 15923 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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_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 . CA . 15923 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 15923 _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 $entity_1 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 15923 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 15923 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET 11a' . . . . . . 15923 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 15923 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code CA _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:14:40 2008 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [Ca++] SMILES CACTVS 3.341 15923 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 15923 CA [Ca+2] SMILES ACDLabs 10.04 15923 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 15923 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15923 CA InChI=1/Ca/q+2 InChI InChI 1.01 15923 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 15923 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15923 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . N . 2 . . . . no no . . . . . . . . . . . . . . . 15923 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15923 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'RDC and dynamics solution' _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 S100B [U-15N] . . 1 $entity_1 . . 400 . . uM . . . . 15923 1 2 CaCl2 'natural abundance' . . 2 $CA . . 10 . . mM . . . . 15923 1 3 NaCl 'natural abundance' . . . . . . 25 . . mM . . . . 15923 1 4 'MES, pH 6.7' '[U-99% 2H]' . . . . . . 10 . . mM . . . . 15923 1 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15923 1 6 NaN3 'natural abundance' . . . . . . .1 . . mM . . . . 15923 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 15923 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 15923 1 pH 6.7 . pH 15923 1 pressure 1 . atm 15923 1 temperature 310 . K 15923 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15923 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15923 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15923 1 'structure solution' 15923 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15923 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15923 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'equipped with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 15923 _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 DMX . 600 'equipped with cryoprobe' . . 15923 1 2 spectrometer_2 Bruker Avance . 800 'equipped with cryoprobe' . . 15923 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 15923 _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 IPAP no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15923 1 2 HNCOCA no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15923 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 15923 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600.13 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 1 IPAP . . . 15923 1 2 HNCOCA . . . 15923 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNH1 . 1 1 2 2 GLU H H 1 . . 1 1 2 2 GLU N N 15 . 13.78 . . 0.8 . . . . . . . . . . . 15923 1 2 DNH1 . 1 1 3 3 LEU H H 1 . . 1 1 3 3 LEU N N 15 . 28.39 . . 0.8 . . . . . . . . . . . 15923 1 3 DNH1 . 1 1 4 4 GLU H H 1 . . 1 1 4 4 GLU N N 15 . 4.87 . . 0.8 . . . . . . . . . . . 15923 1 4 DNH1 . 1 1 5 5 LYS H H 1 . . 1 1 5 5 LYS N N 15 . 4.06 . . 0.8 . . . . . . . . . . . 15923 1 5 DNH1 . 1 1 6 6 ALA H H 1 . . 1 1 6 6 ALA N N 15 . 24.33 . . 0.8 . . . . . . . . . . . 15923 1 6 DNH1 . 1 1 8 8 VAL H H 1 . . 1 1 8 8 VAL N N 15 . 12.98 . . 0.8 . . . . . . . . . . . 15923 1 7 DNH1 . 1 1 9 9 ALA H H 1 . . 1 1 9 9 ALA N N 15 . 12.98 . . 0.8 . . . . . . . . . . . 15923 1 8 DNH1 . 1 1 10 10 LEU H H 1 . . 1 1 10 10 LEU N N 15 . 22.71 . . 0.8 . . . . . . . . . . . 15923 1 9 DNH1 . 1 1 11 11 ILE H H 1 . . 1 1 11 11 ILE N N 15 . 22.71 . . 0.8 . . . . . . . . . . . 15923 1 10 DNH1 . 1 1 12 12 ASP H H 1 . . 1 1 12 12 ASP N N 15 . 16.22 . . 0.8 . . . . . . . . . . . 15923 1 11 DNH1 . 1 1 13 13 VAL H H 1 . . 1 1 13 13 VAL N N 15 . 20.27 . . 0.8 . . . . . . . . . . . 15923 1 12 DNH1 . 1 1 15 15 HIS H H 1 . . 1 1 15 15 HIS N N 15 . 25.14 . . 0.8 . . . . . . . . . . . 15923 1 13 DNH1 . 1 1 16 16 GLN H H 1 . . 1 1 16 16 GLN N N 15 . 17.03 . . 0.8 . . . . . . . . . . . 15923 1 14 DNH1 . 1 1 17 17 TYR H H 1 . . 1 1 17 17 TYR N N 15 . 24.33 . . 0.8 . . . . . . . . . . . 15923 1 15 DNH1 . 1 1 18 18 SER H H 1 . . 1 1 18 18 SER N N 15 . 24.33 . . 0.8 . . . . . . . . . . . 15923 1 16 DNH1 . 1 1 19 19 GLY H H 1 . . 1 1 19 19 GLY N N 15 . -8.92 . . 0.8 . . . . . . . . . . . 15923 1 17 DNH1 . 1 1 20 20 ARG H H 1 . . 1 1 20 20 ARG N N 15 . -5.68 . . 0.8 . . . . . . . . . . . 15923 1 18 DNH1 . 1 1 21 21 GLU H H 1 . . 1 1 21 21 GLU N N 15 . 8.92 . . 0.8 . . . . . . . . . . . 15923 1 19 DNH1 . 1 1 25 25 HIS H H 1 . . 1 1 25 25 HIS N N 15 . -14.6 . . 0.8 . . . . . . . . . . . 15923 1 20 DNH1 . 1 1 27 27 LEU H H 1 . . 1 1 27 27 LEU N N 15 . 3.41 . . 0.8 . . . . . . . . . . . 15923 1 21 DNH1 . 1 1 28 28 LYS H H 1 . . 1 1 28 28 LYS N N 15 . -25.95 . . 0.8 . . . . . . . . . . . 15923 1 22 DNH1 . 1 1 29 29 LYS H H 1 . . 1 1 29 29 LYS N N 15 . -21.09 . . 0.8 . . . . . . . . . . . 15923 1 23 DNH1 . 1 1 30 30 SER H H 1 . . 1 1 30 30 SER N N 15 . -11.35 . . 0.8 . . . . . . . . . . . 15923 1 24 DNH1 . 1 1 31 31 GLU H H 1 . . 1 1 31 31 GLU N N 15 . -22.71 . . 0.8 . . . . . . . . . . . 15923 1 25 DNH1 . 1 1 32 32 LEU H H 1 . . 1 1 32 32 LEU N N 15 . -18.65 . . 0.8 . . . . . . . . . . . 15923 1 26 DNH1 . 1 1 33 33 LYS H H 1 . . 1 1 33 33 LYS N N 15 . -8.92 . . 0.8 . . . . . . . . . . . 15923 1 27 DNH1 . 1 1 34 34 GLU H H 1 . . 1 1 34 34 GLU N N 15 . -12.17 . . 0.8 . . . . . . . . . . . 15923 1 28 DNH1 . 1 1 35 35 LEU H H 1 . . 1 1 35 35 LEU N N 15 . -21.9 . . 0.8 . . . . . . . . . . . 15923 1 29 DNH1 . 1 1 38 38 ASN H H 1 . . 1 1 38 38 ASN N N 15 . -17.03 . . 0.8 . . . . . . . . . . . 15923 1 30 DNH1 . 1 1 39 39 GLU H H 1 . . 1 1 39 39 GLU N N 15 . -20.28 . . 0.8 . . . . . . . . . . . 15923 1 31 DNH1 . 1 1 43 43 PHE H H 1 . . 1 1 43 43 PHE N N 15 . -1.62 . . 0.8 . . . . . . . . . . . 15923 1 32 DNH1 . 1 1 51 51 GLU H H 1 . . 1 1 51 51 GLU N N 15 . 26.76 . . 0.8 . . . . . . . . . . . 15923 1 33 DNH1 . 1 1 52 52 VAL H H 1 . . 1 1 52 52 VAL N N 15 . 2.43 . . 0.8 . . . . . . . . . . . 15923 1 34 DNH1 . 1 1 53 53 VAL H H 1 . . 1 1 53 53 VAL N N 15 . 24.32 . . 0.8 . . . . . . . . . . . 15923 1 35 DNH1 . 1 1 55 55 LYS H H 1 . . 1 1 55 55 LYS N N 15 . 8.92 . . 0.8 . . . . . . . . . . . 15923 1 36 DNH1 . 1 1 56 56 VAL H H 1 . . 1 1 56 56 VAL N N 15 . 12.98 . . 0.8 . . . . . . . . . . . 15923 1 37 DNH1 . 1 1 57 57 MET H H 1 . . 1 1 57 57 MET N N 15 . 28.38 . . 0.8 . . . . . . . . . . . 15923 1 38 DNH1 . 1 1 60 60 LEU H H 1 . . 1 1 60 60 LEU N N 15 . 25.96 . . 0.8 . . . . . . . . . . . 15923 1 39 DNH1 . 1 1 61 61 ASP H H 1 . . 1 1 61 61 ASP N N 15 . 30.82 . . 0.8 . . . . . . . . . . . 15923 1 40 DNH1 . 1 1 62 62 GLU H H 1 . . 1 1 62 62 GLU N N 15 . -21.09 . . 0.8 . . . . . . . . . . . 15923 1 41 DNH1 . 1 1 64 64 GLY H H 1 . . 1 1 64 64 GLY N N 15 . -17.03 . . 0.8 . . . . . . . . . . . 15923 1 42 DNH1 . 1 1 65 65 ASP H H 1 . . 1 1 65 65 ASP N N 15 . 9.73 . . 0.8 . . . . . . . . . . . 15923 1 43 DNH1 . 1 1 66 66 GLY H H 1 . . 1 1 66 66 GLY N N 15 . 4.05 . . 0.8 . . . . . . . . . . . 15923 1 44 DNH1 . 1 1 67 67 GLU H H 1 . . 1 1 67 67 GLU N N 15 . 3.24 . . 0.8 . . . . . . . . . . . 15923 1 45 DNH1 . 1 1 68 68 CYS H H 1 . . 1 1 68 68 CYS N N 15 . -5.68 . . 0.8 . . . . . . . . . . . 15923 1 46 DNH1 . 1 1 69 69 ASP H H 1 . . 1 1 69 69 ASP N N 15 . -26.36 . . 0.8 . . . . . . . . . . . 15923 1 47 DNH1 . 1 1 70 70 PHE H H 1 . . 1 1 70 70 PHE N N 15 . -3.24 . . 0.8 . . . . . . . . . . . 15923 1 48 DNH1 . 1 1 71 71 GLN H H 1 . . 1 1 71 71 GLN N N 15 . -6.49 . . 0.8 . . . . . . . . . . . 15923 1 49 DNH1 . 1 1 72 72 GLU H H 1 . . 1 1 72 72 GLU N N 15 . -4.87 . . 0.8 . . . . . . . . . . . 15923 1 50 DNH1 . 1 1 73 73 PHE H H 1 . . 1 1 73 73 PHE N N 15 . -4.05 . . 0.8 . . . . . . . . . . . 15923 1 51 DNH1 . 1 1 74 74 MET H H 1 . . 1 1 74 74 MET N N 15 . -6.16 . . 0.8 . . . . . . . . . . . 15923 1 52 DNH1 . 1 1 75 75 ALA H H 1 . . 1 1 75 75 ALA N N 15 . -4.14 . . 0.8 . . . . . . . . . . . 15923 1 53 DNH1 . 1 1 76 76 PHE H H 1 . . 1 1 76 76 PHE N N 15 . -4.05 . . 0.8 . . . . . . . . . . . 15923 1 54 DNH1 . 1 1 77 77 VAL H H 1 . . 1 1 77 77 VAL N N 15 . -3.24 . . 0.8 . . . . . . . . . . . 15923 1 55 DNH1 . 1 1 78 78 SER H H 1 . . 1 1 78 78 SER N N 15 . -10.54 . . 0.8 . . . . . . . . . . . 15923 1 56 DNH1 . 1 1 79 79 MET H H 1 . . 1 1 79 79 MET N N 15 . -3.24 . . 0.8 . . . . . . . . . . . 15923 1 57 DNH1 . 1 1 81 81 THR H H 1 . . 1 1 81 81 THR N N 15 . -8.92 . . 0.8 . . . . . . . . . . . 15923 1 58 DNH1 . 1 1 82 82 THR H H 1 . . 1 1 82 82 THR N N 15 . -7.3 . . 0.8 . . . . . . . . . . . 15923 1 59 DNH1 . 1 1 83 83 ALA H H 1 . . 1 1 83 83 ALA N N 15 . -4.87 . . 0.8 . . . . . . . . . . . 15923 1 60 DNH1 . 1 1 84 84 CYS H H 1 . . 1 1 84 84 CYS N N 15 . 2.43 . . 0.8 . . . . . . . . . . . 15923 1 61 DCH . 1 1 1 1 SER CA C 13 . . 1 1 1 1 SER HA H 1 . -12.2 . . 1.5 . . . . . . . . . . . 15923 1 62 DCH . 1 1 2 2 GLU CA C 13 . . 1 1 2 2 GLU HA H 1 . -12.2 . . 1.5 . . . . . . . . . . . 15923 1 63 DCH . 1 1 4 4 GLU CA C 13 . . 1 1 4 4 GLU HA H 1 . -47.5 . . 1.5 . . . . . . . . . . . 15923 1 64 DCH . 1 1 5 5 LYS CA C 13 . . 1 1 5 5 LYS HA H 1 . -1.4 . . 1.5 . . . . . . . . . . . 15923 1 65 DCH . 1 1 7 7 MET CA C 13 . . 1 1 7 7 MET HA H 1 . -13.4 . . 1.5 . . . . . . . . . . . 15923 1 66 DCH . 1 1 8 8 VAL CA C 13 . . 1 1 8 8 VAL HA H 1 . -12.2 . . 1.5 . . . . . . . . . . . 15923 1 67 DCH . 1 1 11 11 ILE CA C 13 . . 1 1 11 11 ILE HA H 1 . -33.9 . . 1.5 . . . . . . . . . . . 15923 1 68 DCH . 1 1 12 12 ASP CA C 13 . . 1 1 12 12 ASP HA H 1 . -8.2 . . 1.5 . . . . . . . . . . . 15923 1 69 DCH . 1 1 15 15 HIS CA C 13 . . 1 1 15 15 HIS HA H 1 . -34.7 . . 1.5 . . . . . . . . . . . 15923 1 70 DCH . 1 1 16 16 GLN CA C 13 . . 1 1 16 16 GLN HA H 1 . -6.8 . . 1.5 . . . . . . . . . . . 15923 1 71 DCH . 1 1 17 17 TYR CA C 13 . . 1 1 17 17 TYR HA H 1 . 9.51 . . 1.5 . . . . . . . . . . . 15923 1 72 DCH . 1 1 20 20 ARG CA C 13 . . 1 1 20 20 ARG HA H 1 . -40.75 . . 1.5 . . . . . . . . . . . 15923 1 73 DCH . 1 1 24 24 LYS CA C 13 . . 1 1 24 24 LYS HA H 1 . 0.3 . . 1.5 . . . . . . . . . . . 15923 1 74 DCH . 1 1 25 25 HIS CA C 13 . . 1 1 25 25 HIS HA H 1 . -8.2 . . 1.5 . . . . . . . . . . . 15923 1 75 DCH . 1 1 26 26 LYS CA C 13 . . 1 1 26 26 LYS HA H 1 . -14 . . 1.5 . . . . . . . . . . . 15923 1 76 DCH . 1 1 28 28 LYS CA C 13 . . 1 1 28 28 LYS HA H 1 . -47.5 . . 1.5 . . . . . . . . . . . 15923 1 77 DCH . 1 1 29 29 LYS CA C 13 . . 1 1 29 29 LYS HA H 1 . 26 . . 1.5 . . . . . . . . . . . 15923 1 78 DCH . 1 1 30 30 SER CA C 13 . . 1 1 30 30 SER HA H 1 . 16.3 . . 1.5 . . . . . . . . . . . 15923 1 79 DCH . 1 1 31 31 GLU CA C 13 . . 1 1 31 31 GLU HA H 1 . -32.6 . . 1.5 . . . . . . . . . . . 15923 1 80 DCH . 1 1 32 32 LEU CA C 13 . . 1 1 32 32 LEU HA H 1 . 35.3 . . 1.5 . . . . . . . . . . . 15923 1 81 DCH . 1 1 34 34 GLU CA C 13 . . 1 1 34 34 GLU HA H 1 . 19 . . 1.5 . . . . . . . . . . . 15923 1 82 DCH . 1 1 35 35 LEU CA C 13 . . 1 1 35 35 LEU HA H 1 . -40 . . 1.5 . . . . . . . . . . . 15923 1 83 DCH . 1 1 36 36 ILE CA C 13 . . 1 1 36 36 ILE HA H 1 . 40.7 . . 1.5 . . . . . . . . . . . 15923 1 84 DCH . 1 1 37 37 ASN CA C 13 . . 1 1 37 37 ASN HA H 1 . 1.4 . . 1.5 . . . . . . . . . . . 15923 1 85 DCH . 1 1 38 38 ASN CA C 13 . . 1 1 38 38 ASN HA H 1 . -15.1 . . 1.5 . . . . . . . . . . . 15923 1 86 DCH . 1 1 43 43 PHE CA C 13 . . 1 1 43 43 PHE HA H 1 . 12.1 . . 1.5 . . . . . . . . . . . 15923 1 87 DCH . 1 1 50 50 GLN CA C 13 . . 1 1 50 50 GLN HA H 1 . 10.9 . . 1.5 . . . . . . . . . . . 15923 1 88 DCH . 1 1 51 51 GLU CA C 13 . . 1 1 51 51 GLU HA H 1 . -10.9 . . 1.5 . . . . . . . . . . . 15923 1 89 DCH . 1 1 53 53 VAL CA C 13 . . 1 1 53 53 VAL HA H 1 . 17.6 . . 1.5 . . . . . . . . . . . 15923 1 90 DCH . 1 1 54 54 ASP CA C 13 . . 1 1 54 54 ASP HA H 1 . 16.3 . . 1.5 . . . . . . . . . . . 15923 1 91 DCH . 1 1 55 55 LYS CA C 13 . . 1 1 55 55 LYS HA H 1 . -49.2 . . 1.5 . . . . . . . . . . . 15923 1 92 DCH . 1 1 57 57 MET CA C 13 . . 1 1 57 57 MET HA H 1 . 16.3 . . 1.5 . . . . . . . . . . . 15923 1 93 DCH . 1 1 60 60 LEU CA C 13 . . 1 1 60 60 LEU HA H 1 . 20.6 . . 1.5 . . . . . . . . . . . 15923 1 94 DCH . 1 1 61 61 ASP CA C 13 . . 1 1 61 61 ASP HA H 1 . -9.51 . . 1.5 . . . . . . . . . . . 15923 1 95 DCH . 1 1 62 62 GLU CA C 13 . . 1 1 62 62 GLU HA H 1 . -4.1 . . 1.5 . . . . . . . . . . . 15923 1 96 DCH . 1 1 65 65 ASP CA C 13 . . 1 1 65 65 ASP HA H 1 . -28.5 . . 1.5 . . . . . . . . . . . 15923 1 97 DCH . 1 1 67 67 GLU CA C 13 . . 1 1 67 67 GLU HA H 1 . 9.5 . . 1.5 . . . . . . . . . . . 15923 1 98 DCH . 1 1 68 68 CYS CA C 13 . . 1 1 68 68 CYS HA H 1 . -28.5 . . 1.5 . . . . . . . . . . . 15923 1 99 DCH . 1 1 69 69 ASP CA C 13 . . 1 1 69 69 ASP HA H 1 . 4.1 . . 1.5 . . . . . . . . . . . 15923 1 100 DCH . 1 1 70 70 PHE CA C 13 . . 1 1 70 70 PHE HA H 1 . -7.5 . . 1.5 . . . . . . . . . . . 15923 1 101 DCH . 1 1 71 71 GLN CA C 13 . . 1 1 71 71 GLN HA H 1 . 9.5 . . 1.5 . . . . . . . . . . . 15923 1 102 DCH . 1 1 72 72 GLU CA C 13 . . 1 1 72 72 GLU HA H 1 . -1.2 . . 1.5 . . . . . . . . . . . 15923 1 103 DCH . 1 1 75 75 ALA CA C 13 . . 1 1 75 75 ALA HA H 1 . 35.3 . . 1.5 . . . . . . . . . . . 15923 1 104 DCH . 1 1 76 76 PHE CA C 13 . . 1 1 76 76 PHE HA H 1 . -16.3 . . 1.5 . . . . . . . . . . . 15923 1 105 DCH . 1 1 78 78 SER CA C 13 . . 1 1 78 78 SER HA H 1 . -10.8 . . 1.5 . . . . . . . . . . . 15923 1 106 DCH . 1 1 79 79 MET CA C 13 . . 1 1 79 79 MET HA H 1 . -5.4 . . 1.5 . . . . . . . . . . . 15923 1 107 DNH2 . 1 1 2 2 GLU H H 1 . . 1 1 2 2 GLU N N 15 . 0 . . 0.4 . . . . . . . . . . . 15923 1 108 DNH2 . 1 1 3 3 LEU H H 1 . . 1 1 3 3 LEU N N 15 . -0.81 . . 0.4 . . . . . . . . . . . 15923 1 109 DNH2 . 1 1 4 4 GLU H H 1 . . 1 1 4 4 GLU N N 15 . -2.43 . . 0.4 . . . . . . . . . . . 15923 1 110 DNH2 . 1 1 5 5 LYS H H 1 . . 1 1 5 5 LYS N N 15 . -1.62 . . 0.4 . . . . . . . . . . . 15923 1 111 DNH2 . 1 1 6 6 ALA H H 1 . . 1 1 6 6 ALA N N 15 . -1.62 . . 0.4 . . . . . . . . . . . 15923 1 112 DNH2 . 1 1 8 8 VAL H H 1 . . 1 1 8 8 VAL N N 15 . -1.62 . . 0.4 . . . . . . . . . . . 15923 1 113 DNH2 . 1 1 9 9 ALA H H 1 . . 1 1 9 9 ALA N N 15 . -0.81 . . 0.4 . . . . . . . . . . . 15923 1 114 DNH2 . 1 1 11 11 ILE H H 1 . . 1 1 11 11 ILE N N 15 . 0 . . 0.4 . . . . . . . . . . . 15923 1 115 DNH2 . 1 1 12 12 ASP H H 1 . . 1 1 12 12 ASP N N 15 . -1.62 . . 0.4 . . . . . . . . . . . 15923 1 116 DNH2 . 1 1 13 13 VAL H H 1 . . 1 1 13 13 VAL N N 15 . -2.43 . . 0.4 . . . . . . . . . . . 15923 1 117 DNH2 . 1 1 15 15 HIS H H 1 . . 1 1 15 15 HIS N N 15 . -2.43 . . 0.4 . . . . . . . . . . . 15923 1 118 DNH2 . 1 1 16 16 GLN H H 1 . . 1 1 16 16 GLN N N 15 . -1.62 . . 0.4 . . . . . . . . . . . 15923 1 119 DNH2 . 1 1 17 17 TYR H H 1 . . 1 1 17 17 TYR N N 15 . -2.43 . . 0.4 . . . . . . . . . . . 15923 1 120 DNH2 . 1 1 18 18 SER H H 1 . . 1 1 18 18 SER N N 15 . -1.62 . . 0.4 . . . . . . . . . . . 15923 1 121 DNH2 . 1 1 19 19 GLY H H 1 . . 1 1 19 19 GLY N N 15 . -0.81 . . 0.4 . . . . . . . . . . . 15923 1 122 DNH2 . 1 1 20 20 ARG H H 1 . . 1 1 20 20 ARG N N 15 . 0 . . 0.4 . . . . . . . . . . . 15923 1 123 DNH2 . 1 1 21 21 GLU H H 1 . . 1 1 21 21 GLU N N 15 . 1.62 . . 0.4 . . . . . . . . . . . 15923 1 124 DNH2 . 1 1 25 25 HIS H H 1 . . 1 1 25 25 HIS N N 15 . 0.81 . . 0.4 . . . . . . . . . . . 15923 1 125 DNH2 . 1 1 27 27 LEU H H 1 . . 1 1 27 27 LEU N N 15 . 0.16 . . 0.4 . . . . . . . . . . . 15923 1 126 DNH2 . 1 1 28 28 LYS H H 1 . . 1 1 28 28 LYS N N 15 . 0 . . 0.4 . . . . . . . . . . . 15923 1 127 DNH2 . 1 1 29 29 LYS H H 1 . . 1 1 29 29 LYS N N 15 . 1.62 . . 0.4 . . . . . . . . . . . 15923 1 128 DNH2 . 1 1 31 31 GLU H H 1 . . 1 1 31 31 GLU N N 15 . 2.43 . . 0.4 . . . . . . . . . . . 15923 1 129 DNH2 . 1 1 32 32 LEU H H 1 . . 1 1 32 32 LEU N N 15 . 1.62 . . 0.4 . . . . . . . . . . . 15923 1 130 DNH2 . 1 1 33 33 LYS H H 1 . . 1 1 33 33 LYS N N 15 . 0.81 . . 0.4 . . . . . . . . . . . 15923 1 131 DNH2 . 1 1 34 34 GLU H H 1 . . 1 1 34 34 GLU N N 15 . 0 . . 0.4 . . . . . . . . . . . 15923 1 132 DNH2 . 1 1 35 35 LEU H H 1 . . 1 1 35 35 LEU N N 15 . 0.81 . . 0.4 . . . . . . . . . . . 15923 1 133 DNH2 . 1 1 36 36 ILE H H 1 . . 1 1 36 36 ILE N N 15 . 2.43 . . 0.4 . . . . . . . . . . . 15923 1 134 DNH2 . 1 1 38 38 ASN H H 1 . . 1 1 38 38 ASN N N 15 . 0 . . 0.4 . . . . . . . . . . . 15923 1 135 DNH2 . 1 1 39 39 GLU H H 1 . . 1 1 39 39 GLU N N 15 . 2.43 . . 0.4 . . . . . . . . . . . 15923 1 136 DNH2 . 1 1 42 42 HIS H H 1 . . 1 1 42 42 HIS N N 15 . -1.62 . . 0.4 . . . . . . . . . . . 15923 1 137 DNH2 . 1 1 44 44 LEU H H 1 . . 1 1 44 44 LEU N N 15 . 2.43 . . 0.4 . . . . . . . . . . . 15923 1 138 DNH2 . 1 1 45 45 GLU H H 1 . . 1 1 45 45 GLU N N 15 . 0.81 . . 0.4 . . . . . . . . . . . 15923 1 139 DNH2 . 1 1 51 51 GLU H H 1 . . 1 1 51 51 GLU N N 15 . -0.81 . . 0.4 . . . . . . . . . . . 15923 1 140 DNH2 . 1 1 52 52 VAL H H 1 . . 1 1 52 52 VAL N N 15 . 1.62 . . 0.4 . . . . . . . . . . . 15923 1 141 DNH2 . 1 1 53 53 VAL H H 1 . . 1 1 53 53 VAL N N 15 . 0.81 . . 0.4 . . . . . . . . . . . 15923 1 142 DNH2 . 1 1 54 54 ASP H H 1 . . 1 1 54 54 ASP N N 15 . -2.43 . . 0.4 . . . . . . . . . . . 15923 1 143 DNH2 . 1 1 55 55 LYS H H 1 . . 1 1 55 55 LYS N N 15 . -1.62 . . 0.4 . . . . . . . . . . . 15923 1 144 DNH2 . 1 1 56 56 VAL H H 1 . . 1 1 56 56 VAL N N 15 . -2.43 . . 0.4 . . . . . . . . . . . 15923 1 145 DNH2 . 1 1 57 57 MET H H 1 . . 1 1 57 57 MET N N 15 . -2.43 . . 0.4 . . . . . . . . . . . 15923 1 146 DNH2 . 1 1 58 58 GLU H H 1 . . 1 1 58 58 GLU N N 15 . -3.24 . . 0.4 . . . . . . . . . . . 15923 1 147 DNH2 . 1 1 60 60 LEU H H 1 . . 1 1 60 60 LEU N N 15 . 0 . . 0.4 . . . . . . . . . . . 15923 1 148 DNH2 . 1 1 61 61 ASP H H 1 . . 1 1 61 61 ASP N N 15 . -1.62 . . 0.4 . . . . . . . . . . . 15923 1 149 DNH2 . 1 1 62 62 GLU H H 1 . . 1 1 62 62 GLU N N 15 . 0.81 . . 0.4 . . . . . . . . . . . 15923 1 150 DNH2 . 1 1 63 63 ASP H H 1 . . 1 1 63 63 ASP N N 15 . 0.81 . . 0.4 . . . . . . . . . . . 15923 1 151 DNH2 . 1 1 64 64 GLY H H 1 . . 1 1 64 64 GLY N N 15 . 1.62 . . 0.4 . . . . . . . . . . . 15923 1 152 DNH2 . 1 1 65 65 ASP H H 1 . . 1 1 65 65 ASP N N 15 . -0.81 . . 0.4 . . . . . . . . . . . 15923 1 153 DNH2 . 1 1 66 66 GLY H H 1 . . 1 1 66 66 GLY N N 15 . 0 . . 0.4 . . . . . . . . . . . 15923 1 154 DNH2 . 1 1 67 67 GLU H H 1 . . 1 1 67 67 GLU N N 15 . -0.81 . . 0.4 . . . . . . . . . . . 15923 1 155 DNH2 . 1 1 68 68 CYS H H 1 . . 1 1 68 68 CYS N N 15 . 1.14 . . 0.4 . . . . . . . . . . . 15923 1 156 DNH2 . 1 1 69 69 ASP H H 1 . . 1 1 69 69 ASP N N 15 . 0.73 . . 0.4 . . . . . . . . . . . 15923 1 157 DNH2 . 1 1 70 70 PHE H H 1 . . 1 1 70 70 PHE N N 15 . 0 . . 0.4 . . . . . . . . . . . 15923 1 158 DNH2 . 1 1 71 71 GLN H H 1 . . 1 1 71 71 GLN N N 15 . 0 . . 0.4 . . . . . . . . . . . 15923 1 159 DNH2 . 1 1 72 72 GLU H H 1 . . 1 1 72 72 GLU N N 15 . 0.81 . . 0.4 . . . . . . . . . . . 15923 1 160 DNH2 . 1 1 73 73 PHE H H 1 . . 1 1 73 73 PHE N N 15 . -0.81 . . 0.4 . . . . . . . . . . . 15923 1 161 DNH2 . 1 1 74 74 MET H H 1 . . 1 1 74 74 MET N N 15 . -0.81 . . 0.4 . . . . . . . . . . . 15923 1 162 DNH2 . 1 1 76 76 PHE H H 1 . . 1 1 76 76 PHE N N 15 . -1.62 . . 0.4 . . . . . . . . . . . 15923 1 163 DNH2 . 1 1 77 77 VAL H H 1 . . 1 1 77 77 VAL N N 15 . -1.62 . . 0.4 . . . . . . . . . . . 15923 1 164 DNH2 . 1 1 78 78 SER H H 1 . . 1 1 78 78 SER N N 15 . -0.81 . . 0.4 . . . . . . . . . . . 15923 1 165 DNH2 . 1 1 79 79 MET H H 1 . . 1 1 79 79 MET N N 15 . -1.62 . . 0.4 . . . . . . . . . . . 15923 1 166 DNH2 . 1 1 83 83 ALA H H 1 . . 1 1 83 83 ALA N N 15 . -0.81 . . 0.4 . . . . . . . . . . . 15923 1 167 DNH2 . 1 1 84 84 CYS H H 1 . . 1 1 84 84 CYS N N 15 . 0.81 . . 0.4 . . . . . . . . . . . 15923 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 15923 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 1 IPAP . . . 15923 1 2 HNCOCA . . . 15923 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 2 2 GLU N N 15 . 1 1 2 2 GLU H H 1 0.795 0.007 . . . . . . . . . . 15923 1 2 . 1 1 3 3 LEU N N 15 . 1 1 3 3 LEU H H 1 0.789 0.031 . . . . . . . . . . 15923 1 3 . 1 1 4 4 GLU N N 15 . 1 1 4 4 GLU H H 1 0.804 0.002 . . . . . . . . . . 15923 1 4 . 1 1 5 5 LYS N N 15 . 1 1 5 5 LYS H H 1 0.813 0.035 . . . . . . . . . . 15923 1 5 . 1 1 6 6 ALA N N 15 . 1 1 6 6 ALA H H 1 0.857 0.026 . . . . . . . . . . 15923 1 6 . 1 1 7 7 MET N N 15 . 1 1 7 7 MET H H 1 0.839 0.020 . . . . . . . . . . 15923 1 7 . 1 1 8 8 VAL N N 15 . 1 1 8 8 VAL H H 1 0.834 0.006 . . . . . . . . . . 15923 1 8 . 1 1 9 9 ALA N N 15 . 1 1 9 9 ALA H H 1 0.833 0.012 . . . . . . . . . . 15923 1 9 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.832 0.001 . . . . . . . . . . 15923 1 10 . 1 1 11 11 ILE N N 15 . 1 1 11 11 ILE H H 1 0.799 0.034 . . . . . . . . . . 15923 1 11 . 1 1 12 12 ASP N N 15 . 1 1 12 12 ASP H H 1 0.797 0.010 . . . . . . . . . . 15923 1 12 . 1 1 13 13 VAL N N 15 . 1 1 13 13 VAL H H 1 0.824 0.010 . . . . . . . . . . 15923 1 13 . 1 1 14 14 PHE N N 15 . 1 1 14 14 PHE H H 1 0.786 0.006 . . . . . . . . . . 15923 1 14 . 1 1 15 15 HIS N N 15 . 1 1 15 15 HIS H H 1 0.838 0.042 . . . . . . . . . . 15923 1 15 . 1 1 16 16 GLN N N 15 . 1 1 16 16 GLN H H 1 0.836 0.002 . . . . . . . . . . 15923 1 16 . 1 1 17 17 TYR N N 15 . 1 1 17 17 TYR H H 1 0.825 0.006 . . . . . . . . . . 15923 1 17 . 1 1 18 18 SER N N 15 . 1 1 18 18 SER H H 1 0.833 0.020 . . . . . . . . . . 15923 1 18 . 1 1 19 19 GLY N N 15 . 1 1 19 19 GLY H H 1 0.818 0.034 . . . . . . . . . . 15923 1 19 . 1 1 20 20 ARG N N 15 . 1 1 20 20 ARG H H 1 0.842 0.001 . . . . . . . . . . 15923 1 20 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.819 0.006 . . . . . . . . . . 15923 1 21 . 1 1 25 25 HIS N N 15 . 1 1 25 25 HIS H H 1 0.835 0.037 . . . . . . . . . . 15923 1 22 . 1 1 26 26 LYS N N 15 . 1 1 26 26 LYS H H 1 0.844 0.005 . . . . . . . . . . 15923 1 23 . 1 1 27 27 LEU N N 15 . 1 1 27 27 LEU H H 1 0.839 0.013 . . . . . . . . . . 15923 1 24 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.812 0.009 . . . . . . . . . . 15923 1 25 . 1 1 29 29 LYS N N 15 . 1 1 29 29 LYS H H 1 0.817 0.062 . . . . . . . . . . 15923 1 26 . 1 1 30 30 SER N N 15 . 1 1 30 30 SER H H 1 0.856 0.006 . . . . . . . . . . 15923 1 27 . 1 1 31 31 GLU N N 15 . 1 1 31 31 GLU H H 1 0.811 0.014 . . . . . . . . . . 15923 1 28 . 1 1 32 32 LEU N N 15 . 1 1 32 32 LEU H H 1 0.832 0.014 . . . . . . . . . . 15923 1 29 . 1 1 33 33 LYS N N 15 . 1 1 33 33 LYS H H 1 0.837 0.005 . . . . . . . . . . 15923 1 30 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.798 0.008 . . . . . . . . . . 15923 1 31 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.818 0.018 . . . . . . . . . . 15923 1 32 . 1 1 36 36 ILE N N 15 . 1 1 36 36 ILE H H 1 0.838 0.026 . . . . . . . . . . 15923 1 33 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.820 0.003 . . . . . . . . . . 15923 1 34 . 1 1 38 38 ASN N N 15 . 1 1 38 38 ASN H H 1 0.806 0.018 . . . . . . . . . . 15923 1 35 . 1 1 39 39 GLU N N 15 . 1 1 39 39 GLU H H 1 0.853 0.016 . . . . . . . . . . 15923 1 36 . 1 1 40 40 LEU N N 15 . 1 1 40 40 LEU H H 1 0.837 0.015 . . . . . . . . . . 15923 1 37 . 1 1 41 41 SER N N 15 . 1 1 41 41 SER H H 1 0.822 0.031 . . . . . . . . . . 15923 1 38 . 1 1 42 42 HIS N N 15 . 1 1 42 42 HIS H H 1 0.789 0.068 . . . . . . . . . . 15923 1 39 . 1 1 43 43 PHE N N 15 . 1 1 43 43 PHE H H 1 0.720 0.050 . . . . . . . . . . 15923 1 40 . 1 1 44 44 LEU N N 15 . 1 1 44 44 LEU H H 1 0.757 0.043 . . . . . . . . . . 15923 1 41 . 1 1 45 45 GLU N N 15 . 1 1 45 45 GLU H H 1 0.654 0.043 . . . . . . . . . . 15923 1 42 . 1 1 46 46 GLU N N 15 . 1 1 46 46 GLU H H 1 0.694 0.043 . . . . . . . . . . 15923 1 43 . 1 1 48 48 LYS N N 15 . 1 1 48 48 LYS H H 1 0.741 0.095 . . . . . . . . . . 15923 1 44 . 1 1 49 49 GLU N N 15 . 1 1 49 49 GLU H H 1 0.565 0.035 . . . . . . . . . . 15923 1 45 . 1 1 51 51 GLU N N 15 . 1 1 51 51 GLU H H 1 0.810 0.014 . . . . . . . . . . 15923 1 46 . 1 1 52 52 VAL N N 15 . 1 1 52 52 VAL H H 1 0.765 0.015 . . . . . . . . . . 15923 1 47 . 1 1 53 53 VAL N N 15 . 1 1 53 53 VAL H H 1 0.773 0.023 . . . . . . . . . . 15923 1 48 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.770 0.022 . . . . . . . . . . 15923 1 49 . 1 1 55 55 LYS N N 15 . 1 1 55 55 LYS H H 1 0.788 0.005 . . . . . . . . . . 15923 1 50 . 1 1 56 56 VAL N N 15 . 1 1 56 56 VAL H H 1 0.775 0.009 . . . . . . . . . . 15923 1 51 . 1 1 57 57 MET N N 15 . 1 1 57 57 MET H H 1 0.833 0.016 . . . . . . . . . . 15923 1 52 . 1 1 58 58 GLU N N 15 . 1 1 58 58 GLU H H 1 0.805 0.017 . . . . . . . . . . 15923 1 53 . 1 1 59 59 THR N N 15 . 1 1 59 59 THR H H 1 0.793 0.001 . . . . . . . . . . 15923 1 54 . 1 1 60 60 LEU N N 15 . 1 1 60 60 LEU H H 1 0.788 0.006 . . . . . . . . . . 15923 1 55 . 1 1 61 61 ASP N N 15 . 1 1 61 61 ASP H H 1 0.812 0.014 . . . . . . . . . . 15923 1 56 . 1 1 62 62 GLU N N 15 . 1 1 62 62 GLU H H 1 0.700 0.001 . . . . . . . . . . 15923 1 57 . 1 1 63 63 ASP N N 15 . 1 1 63 63 ASP H H 1 0.796 0.008 . . . . . . . . . . 15923 1 58 . 1 1 64 64 GLY N N 15 . 1 1 64 64 GLY H H 1 0.792 0.001 . . . . . . . . . . 15923 1 59 . 1 1 65 65 ASP N N 15 . 1 1 65 65 ASP H H 1 0.850 0.000 . . . . . . . . . . 15923 1 60 . 1 1 66 66 GLY N N 15 . 1 1 66 66 GLY H H 1 0.813 0.008 . . . . . . . . . . 15923 1 61 . 1 1 67 67 GLU N N 15 . 1 1 67 67 GLU H H 1 0.821 0.011 . . . . . . . . . . 15923 1 62 . 1 1 68 68 CYS N N 15 . 1 1 68 68 CYS H H 1 0.817 0.005 . . . . . . . . . . 15923 1 63 . 1 1 69 69 ASP N N 15 . 1 1 69 69 ASP H H 1 0.840 0.006 . . . . . . . . . . 15923 1 64 . 1 1 70 70 PHE N N 15 . 1 1 70 70 PHE H H 1 0.824 0.024 . . . . . . . . . . 15923 1 65 . 1 1 71 71 GLN N N 15 . 1 1 71 71 GLN H H 1 0.773 0.025 . . . . . . . . . . 15923 1 66 . 1 1 72 72 GLU N N 15 . 1 1 72 72 GLU H H 1 0.704 0.104 . . . . . . . . . . 15923 1 67 . 1 1 73 73 PHE N N 15 . 1 1 73 73 PHE H H 1 0.847 0.030 . . . . . . . . . . 15923 1 68 . 1 1 74 74 MET N N 15 . 1 1 74 74 MET H H 1 0.807 0.004 . . . . . . . . . . 15923 1 69 . 1 1 75 75 ALA N N 15 . 1 1 75 75 ALA H H 1 0.878 0.031 . . . . . . . . . . 15923 1 70 . 1 1 76 76 PHE N N 15 . 1 1 76 76 PHE H H 1 0.851 0.002 . . . . . . . . . . 15923 1 71 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.814 0.017 . . . . . . . . . . 15923 1 72 . 1 1 78 78 SER N N 15 . 1 1 78 78 SER H H 1 0.871 0.023 . . . . . . . . . . 15923 1 73 . 1 1 79 79 MET N N 15 . 1 1 79 79 MET H H 1 0.837 0.015 . . . . . . . . . . 15923 1 74 . 1 1 81 81 THR N N 15 . 1 1 81 81 THR H H 1 0.820 0.060 . . . . . . . . . . 15923 1 75 . 1 1 82 82 THR N N 15 . 1 1 82 82 THR H H 1 0.871 0.080 . . . . . . . . . . 15923 1 76 . 1 1 83 83 ALA N N 15 . 1 1 83 83 ALA H H 1 0.692 0.095 . . . . . . . . . . 15923 1 77 . 1 1 84 84 CYS N N 15 . 1 1 84 84 CYS H H 1 0.813 0.067 . . . . . . . . . . 15923 1 78 . 1 1 85 85 HIS N N 15 . 1 1 85 85 HIS H H 1 0.554 0.032 . . . . . . . . . . 15923 1 79 . 1 1 87 87 PHE N N 15 . 1 1 87 87 PHE H H 1 0.699 0.035 . . . . . . . . . . 15923 1 80 . 1 1 88 88 PHE N N 15 . 1 1 88 88 PHE H H 1 0.679 0.023 . . . . . . . . . . 15923 1 81 . 1 1 89 89 GLU N N 15 . 1 1 89 89 GLU H H 1 0.578 0.007 . . . . . . . . . . 15923 1 82 . 1 1 90 90 HIS N N 15 . 1 1 90 90 HIS H H 1 0.359 0.090 . . . . . . . . . . 15923 1 83 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 -0.108 0.131 . . . . . . . . . . 15923 1 stop_ save_ save_heteronuclear_noe_list_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_2 _Heteronucl_NOE_list.Entry_ID 15923 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 1 IPAP . . . 15923 2 2 HNCOCA . . . 15923 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 2 2 GLU N N 15 . 1 1 2 2 GLU H H 1 0.892 0.025 . . . . . . . . . . 15923 2 2 . 1 1 3 3 LEU N N 15 . 1 1 3 3 LEU H H 1 0.738 0.051 . . . . . . . . . . 15923 2 3 . 1 1 4 4 GLU N N 15 . 1 1 4 4 GLU H H 1 0.866 0.022 . . . . . . . . . . 15923 2 4 . 1 1 5 5 LYS N N 15 . 1 1 5 5 LYS H H 1 0.852 0.044 . . . . . . . . . . 15923 2 5 . 1 1 6 6 ALA N N 15 . 1 1 6 6 ALA H H 1 0.850 0.023 . . . . . . . . . . 15923 2 6 . 1 1 7 7 MET N N 15 . 1 1 7 7 MET H H 1 0.903 0.021 . . . . . . . . . . 15923 2 7 . 1 1 9 9 ALA N N 15 . 1 1 9 9 ALA H H 1 0.919 0.041 . . . . . . . . . . 15923 2 8 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.884 0.024 . . . . . . . . . . 15923 2 9 . 1 1 11 11 ILE N N 15 . 1 1 11 11 ILE H H 1 0.924 0.055 . . . . . . . . . . 15923 2 10 . 1 1 12 12 ASP N N 15 . 1 1 12 12 ASP H H 1 0.922 0.089 . . . . . . . . . . 15923 2 11 . 1 1 13 13 VAL N N 15 . 1 1 13 13 VAL H H 1 0.885 0.042 . . . . . . . . . . 15923 2 12 . 1 1 14 14 PHE N N 15 . 1 1 14 14 PHE H H 1 0.875 0.041 . . . . . . . . . . 15923 2 13 . 1 1 15 15 HIS N N 15 . 1 1 15 15 HIS H H 1 0.900 0.050 . . . . . . . . . . 15923 2 14 . 1 1 16 16 GLN N N 15 . 1 1 16 16 GLN H H 1 0.842 0.032 . . . . . . . . . . 15923 2 15 . 1 1 17 17 TYR N N 15 . 1 1 17 17 TYR H H 1 0.790 0.028 . . . . . . . . . . 15923 2 16 . 1 1 18 18 SER N N 15 . 1 1 18 18 SER H H 1 0.803 0.046 . . . . . . . . . . 15923 2 17 . 1 1 19 19 GLY N N 15 . 1 1 19 19 GLY H H 1 0.852 0.023 . . . . . . . . . . 15923 2 18 . 1 1 20 20 ARG N N 15 . 1 1 20 20 ARG H H 1 0.842 0.015 . . . . . . . . . . 15923 2 19 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.837 0.018 . . . . . . . . . . 15923 2 20 . 1 1 25 25 HIS N N 15 . 1 1 25 25 HIS H H 1 0.818 0.049 . . . . . . . . . . 15923 2 21 . 1 1 26 26 LYS N N 15 . 1 1 26 26 LYS H H 1 0.862 0.020 . . . . . . . . . . 15923 2 22 . 1 1 27 27 LEU N N 15 . 1 1 27 27 LEU H H 1 0.859 0.034 . . . . . . . . . . 15923 2 23 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.761 0.046 . . . . . . . . . . 15923 2 24 . 1 1 29 29 LYS N N 15 . 1 1 29 29 LYS H H 1 0.860 0.047 . . . . . . . . . . 15923 2 25 . 1 1 30 30 SER N N 15 . 1 1 30 30 SER H H 1 0.847 0.050 . . . . . . . . . . 15923 2 26 . 1 1 31 31 GLU N N 15 . 1 1 31 31 GLU H H 1 0.881 0.017 . . . . . . . . . . 15923 2 27 . 1 1 32 32 LEU N N 15 . 1 1 32 32 LEU H H 1 0.868 0.018 . . . . . . . . . . 15923 2 28 . 1 1 33 33 LYS N N 15 . 1 1 33 33 LYS H H 1 0.876 0.017 . . . . . . . . . . 15923 2 29 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.881 0.023 . . . . . . . . . . 15923 2 30 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.880 0.020 . . . . . . . . . . 15923 2 31 . 1 1 36 36 ILE N N 15 . 1 1 36 36 ILE H H 1 0.881 0.023 . . . . . . . . . . 15923 2 32 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.875 0.018 . . . . . . . . . . 15923 2 33 . 1 1 38 38 ASN N N 15 . 1 1 38 38 ASN H H 1 0.859 0.019 . . . . . . . . . . 15923 2 34 . 1 1 39 39 GLU N N 15 . 1 1 39 39 GLU H H 1 0.880 0.026 . . . . . . . . . . 15923 2 35 . 1 1 41 41 SER N N 15 . 1 1 41 41 SER H H 1 0.800 0.068 . . . . . . . . . . 15923 2 36 . 1 1 44 44 LEU N N 15 . 1 1 44 44 LEU H H 1 0.833 0.069 . . . . . . . . . . 15923 2 37 . 1 1 45 45 GLU N N 15 . 1 1 45 45 GLU H H 1 0.673 0.076 . . . . . . . . . . 15923 2 38 . 1 1 46 46 GLU N N 15 . 1 1 46 46 GLU H H 1 0.734 0.071 . . . . . . . . . . 15923 2 39 . 1 1 49 49 GLU N N 15 . 1 1 49 49 GLU H H 1 0.516 0.042 . . . . . . . . . . 15923 2 40 . 1 1 51 51 GLU N N 15 . 1 1 51 51 GLU H H 1 0.830 0.042 . . . . . . . . . . 15923 2 41 . 1 1 52 52 VAL N N 15 . 1 1 52 52 VAL H H 1 0.856 0.032 . . . . . . . . . . 15923 2 42 . 1 1 53 53 VAL N N 15 . 1 1 53 53 VAL H H 1 0.846 0.054 . . . . . . . . . . 15923 2 43 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.834 0.023 . . . . . . . . . . 15923 2 44 . 1 1 55 55 LYS N N 15 . 1 1 55 55 LYS H H 1 0.851 0.015 . . . . . . . . . . 15923 2 45 . 1 1 56 56 VAL N N 15 . 1 1 56 56 VAL H H 1 0.776 0.027 . . . . . . . . . . 15923 2 46 . 1 1 57 57 MET N N 15 . 1 1 57 57 MET H H 1 0.856 0.014 . . . . . . . . . . 15923 2 47 . 1 1 58 58 GLU N N 15 . 1 1 58 58 GLU H H 1 0.854 0.020 . . . . . . . . . . 15923 2 48 . 1 1 59 59 THR N N 15 . 1 1 59 59 THR H H 1 0.799 0.018 . . . . . . . . . . 15923 2 49 . 1 1 60 60 LEU N N 15 . 1 1 60 60 LEU H H 1 0.829 0.024 . . . . . . . . . . 15923 2 50 . 1 1 61 61 ASP N N 15 . 1 1 61 61 ASP H H 1 0.816 0.030 . . . . . . . . . . 15923 2 51 . 1 1 62 62 GLU N N 15 . 1 1 62 62 GLU H H 1 0.704 0.030 . . . . . . . . . . 15923 2 52 . 1 1 63 63 ASP N N 15 . 1 1 63 63 ASP H H 1 0.826 0.013 . . . . . . . . . . 15923 2 53 . 1 1 64 64 GLY N N 15 . 1 1 64 64 GLY H H 1 0.847 0.010 . . . . . . . . . . 15923 2 54 . 1 1 65 65 ASP N N 15 . 1 1 65 65 ASP H H 1 0.884 0.010 . . . . . . . . . . 15923 2 55 . 1 1 66 66 GLY N N 15 . 1 1 66 66 GLY H H 1 0.881 0.013 . . . . . . . . . . 15923 2 56 . 1 1 67 67 GLU N N 15 . 1 1 67 67 GLU H H 1 0.855 0.011 . . . . . . . . . . 15923 2 57 . 1 1 68 68 CYS N N 15 . 1 1 68 68 CYS H H 1 0.826 0.028 . . . . . . . . . . 15923 2 58 . 1 1 69 69 ASP N N 15 . 1 1 69 69 ASP H H 1 0.943 0.046 . . . . . . . . . . 15923 2 59 . 1 1 70 70 PHE N N 15 . 1 1 70 70 PHE H H 1 0.879 0.029 . . . . . . . . . . 15923 2 60 . 1 1 71 71 GLN N N 15 . 1 1 71 71 GLN H H 1 0.841 0.022 . . . . . . . . . . 15923 2 61 . 1 1 72 72 GLU N N 15 . 1 1 72 72 GLU H H 1 0.851 0.031 . . . . . . . . . . 15923 2 62 . 1 1 73 73 PHE N N 15 . 1 1 73 73 PHE H H 1 0.842 0.027 . . . . . . . . . . 15923 2 63 . 1 1 74 74 MET N N 15 . 1 1 74 74 MET H H 1 0.875 0.031 . . . . . . . . . . 15923 2 64 . 1 1 75 75 ALA N N 15 . 1 1 75 75 ALA H H 1 0.817 0.041 . . . . . . . . . . 15923 2 65 . 1 1 76 76 PHE N N 15 . 1 1 76 76 PHE H H 1 0.862 0.032 . . . . . . . . . . 15923 2 66 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.882 0.039 . . . . . . . . . . 15923 2 67 . 1 1 79 79 MET N N 15 . 1 1 79 79 MET H H 1 0.841 0.045 . . . . . . . . . . 15923 2 68 . 1 1 83 83 ALA N N 15 . 1 1 83 83 ALA H H 1 0.882 0.068 . . . . . . . . . . 15923 2 69 . 1 1 84 84 CYS N N 15 . 1 1 84 84 CYS H H 1 0.810 0.103 . . . . . . . . . . 15923 2 70 . 1 1 87 87 PHE N N 15 . 1 1 87 87 PHE H H 1 0.639 0.103 . . . . . . . . . . 15923 2 71 . 1 1 88 88 PHE N N 15 . 1 1 88 88 PHE H H 1 0.707 0.058 . . . . . . . . . . 15923 2 72 . 1 1 89 89 GLU N N 15 . 1 1 89 89 GLU H H 1 0.626 0.060 . . . . . . . . . . 15923 2 73 . 1 1 90 90 HIS N N 15 . 1 1 90 90 HIS H H 1 0.446 0.120 . . . . . . . . . . 15923 2 74 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 0.198 0.037 . . . . . . . . . . 15923 2 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 15923 _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 600.13 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _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 1 IPAP . . . 15923 1 2 HNCOCA . . . 15923 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 GLU N N 15 0.806 0.046 . . . . . 15923 1 2 . 1 1 3 3 LEU N N 15 0.816 0.064 . . . . . 15923 1 3 . 1 1 4 4 GLU N N 15 0.785 0.038 . . . . . 15923 1 4 . 1 1 5 5 LYS N N 15 0.831 0.064 . . . . . 15923 1 5 . 1 1 6 6 ALA N N 15 0.827 0.032 . . . . . 15923 1 6 . 1 1 7 7 MET N N 15 0.830 0.155 . . . . . 15923 1 7 . 1 1 8 8 VAL N N 15 0.855 0.035 . . . . . 15923 1 8 . 1 1 9 9 ALA N N 15 0.819 0.068 . . . . . 15923 1 9 . 1 1 10 10 LEU N N 15 0.841 0.035 . . . . . 15923 1 10 . 1 1 11 11 ILE N N 15 0.859 0.119 . . . . . 15923 1 11 . 1 1 12 12 ASP N N 15 0.847 0.162 . . . . . 15923 1 12 . 1 1 13 13 VAL N N 15 0.804 0.075 . . . . . 15923 1 13 . 1 1 14 14 PHE N N 15 0.819 0.079 . . . . . 15923 1 14 . 1 1 15 15 HIS N N 15 0.826 0.103 . . . . . 15923 1 15 . 1 1 16 16 GLN N N 15 0.801 0.061 . . . . . 15923 1 16 . 1 1 17 17 TYR N N 15 0.825 0.053 . . . . . 15923 1 17 . 1 1 18 18 SER N N 15 0.824 0.081 . . . . . 15923 1 18 . 1 1 19 19 GLY N N 15 0.717 0.048 . . . . . 15923 1 19 . 1 1 20 20 ARG N N 15 0.785 0.022 . . . . . 15923 1 20 . 1 1 21 21 GLU N N 15 0.845 0.023 . . . . . 15923 1 21 . 1 1 25 25 HIS N N 15 0.672 0.112 . . . . . 15923 1 22 . 1 1 26 26 LYS N N 15 0.786 0.040 . . . . . 15923 1 23 . 1 1 27 27 LEU N N 15 0.795 0.050 . . . . . 15923 1 24 . 1 1 28 28 LYS N N 15 0.764 0.062 . . . . . 15923 1 25 . 1 1 29 29 LYS N N 15 0.698 0.091 . . . . . 15923 1 26 . 1 1 30 30 SER N N 15 0.722 0.079 . . . . . 15923 1 27 . 1 1 31 31 GLU N N 15 0.783 0.028 . . . . . 15923 1 28 . 1 1 32 32 LEU N N 15 0.764 0.030 . . . . . 15923 1 29 . 1 1 33 33 LYS N N 15 0.767 0.024 . . . . . 15923 1 30 . 1 1 34 34 GLU N N 15 0.758 0.039 . . . . . 15923 1 31 . 1 1 35 35 LEU N N 15 0.754 0.029 . . . . . 15923 1 32 . 1 1 36 36 ILE N N 15 0.775 0.037 . . . . . 15923 1 33 . 1 1 37 37 ASN N N 15 0.775 0.031 . . . . . 15923 1 34 . 1 1 38 38 ASN N N 15 0.750 0.029 . . . . . 15923 1 35 . 1 1 39 39 GLU N N 15 0.797 0.046 . . . . . 15923 1 36 . 1 1 40 40 LEU N N 15 0.820 0.079 . . . . . 15923 1 37 . 1 1 41 41 SER N N 15 0.776 0.129 . . . . . 15923 1 38 . 1 1 42 42 HIS N N 15 0.744 0.337 . . . . . 15923 1 39 . 1 1 43 43 PHE N N 15 0.800 0.169 . . . . . 15923 1 40 . 1 1 44 44 LEU N N 15 0.818 0.100 . . . . . 15923 1 41 . 1 1 45 45 GLU N N 15 0.847 0.047 . . . . . 15923 1 42 . 1 1 46 46 GLU N N 15 0.848 0.068 . . . . . 15923 1 43 . 1 1 48 48 LYS N N 15 0.713 0.203 . . . . . 15923 1 44 . 1 1 49 49 GLU N N 15 0.869 0.029 . . . . . 15923 1 45 . 1 1 51 51 GLU N N 15 0.727 0.059 . . . . . 15923 1 46 . 1 1 52 52 VAL N N 15 0.777 0.041 . . . . . 15923 1 47 . 1 1 53 53 VAL N N 15 0.809 0.063 . . . . . 15923 1 48 . 1 1 54 54 ASP N N 15 0.806 0.032 . . . . . 15923 1 49 . 1 1 55 55 LYS N N 15 0.799 0.021 . . . . . 15923 1 50 . 1 1 56 56 VAL N N 15 0.817 0.032 . . . . . 15923 1 51 . 1 1 57 57 MET N N 15 0.806 0.018 . . . . . 15923 1 52 . 1 1 58 58 GLU N N 15 0.821 0.026 . . . . . 15923 1 53 . 1 1 59 59 THR N N 15 0.823 0.027 . . . . . 15923 1 54 . 1 1 60 60 LEU N N 15 0.823 0.031 . . . . . 15923 1 55 . 1 1 61 61 ASP N N 15 0.845 0.038 . . . . . 15923 1 56 . 1 1 62 62 GLU N N 15 0.912 0.025 . . . . . 15923 1 57 . 1 1 63 63 ASP N N 15 0.790 0.015 . . . . . 15923 1 58 . 1 1 64 64 GLY N N 15 0.866 0.013 . . . . . 15923 1 59 . 1 1 65 65 ASP N N 15 0.844 0.013 . . . . . 15923 1 60 . 1 1 66 66 GLY N N 15 0.816 0.017 . . . . . 15923 1 61 . 1 1 67 67 GLU N N 15 0.780 0.013 . . . . . 15923 1 62 . 1 1 68 68 CYS N N 15 0.808 0.035 . . . . . 15923 1 63 . 1 1 69 69 ASP N N 15 0.752 0.077 . . . . . 15923 1 64 . 1 1 70 70 PHE N N 15 0.756 0.053 . . . . . 15923 1 65 . 1 1 71 71 GLN N N 15 0.804 0.032 . . . . . 15923 1 66 . 1 1 72 72 GLU N N 15 0.778 0.052 . . . . . 15923 1 67 . 1 1 73 73 PHE N N 15 0.756 0.042 . . . . . 15923 1 68 . 1 1 74 74 MET N N 15 0.768 0.058 . . . . . 15923 1 69 . 1 1 75 75 ALA N N 15 0.721 0.093 . . . . . 15923 1 70 . 1 1 76 76 PHE N N 15 0.808 0.060 . . . . . 15923 1 71 . 1 1 77 77 VAL N N 15 0.752 0.063 . . . . . 15923 1 72 . 1 1 79 79 MET N N 15 0.795 0.074 . . . . . 15923 1 73 . 1 1 83 83 ALA N N 15 0.779 0.173 . . . . . 15923 1 74 . 1 1 84 84 CYS N N 15 0.785 0.193 . . . . . 15923 1 75 . 1 1 87 87 PHE N N 15 0.684 0.099 . . . . . 15923 1 76 . 1 1 88 88 PHE N N 15 0.666 0.085 . . . . . 15923 1 77 . 1 1 89 89 GLU N N 15 0.580 0.108 . . . . . 15923 1 78 . 1 1 90 90 HIS N N 15 0.657 0.091 . . . . . 15923 1 79 . 1 1 91 91 GLU N N 15 0.654 0.012 . . . . . 15923 1 stop_ save_ save_heteronuclear_T1_list_2 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_2 _Heteronucl_T1_list.Entry_ID 15923 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 800 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _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 1 IPAP . . . 15923 2 2 HNCOCA . . . 15923 2 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 GLU N N 15 1.086 0.029 . . . . . 15923 2 2 . 1 1 3 3 LEU N N 15 1.223 0.064 . . . . . 15923 2 3 . 1 1 4 4 GLU N N 15 1.157 0.032 . . . . . 15923 2 4 . 1 1 5 5 LYS N N 15 1.143 0.053 . . . . . 15923 2 5 . 1 1 6 6 ALA N N 15 1.241 0.030 . . . . . 15923 2 6 . 1 1 7 7 MET N N 15 1.327 0.040 . . . . . 15923 2 7 . 1 1 9 9 ALA N N 15 1.063 0.056 . . . . . 15923 2 8 . 1 1 10 10 LEU N N 15 1.159 0.030 . . . . . 15923 2 9 . 1 1 11 11 ILE N N 15 1.195 0.126 . . . . . 15923 2 10 . 1 1 12 12 ASP N N 15 0.900 0.149 . . . . . 15923 2 11 . 1 1 13 13 VAL N N 15 1.132 0.068 . . . . . 15923 2 12 . 1 1 14 14 PHE N N 15 1.144 0.111 . . . . . 15923 2 13 . 1 1 15 15 HIS N N 15 1.173 0.132 . . . . . 15923 2 14 . 1 1 16 16 GLN N N 15 1.160 0.068 . . . . . 15923 2 15 . 1 1 17 17 TYR N N 15 1.235 0.052 . . . . . 15923 2 16 . 1 1 18 18 SER N N 15 1.216 0.089 . . . . . 15923 2 17 . 1 1 19 19 GLY N N 15 1.021 0.028 . . . . . 15923 2 18 . 1 1 20 20 ARG N N 15 1.135 0.015 . . . . . 15923 2 19 . 1 1 21 21 GLU N N 15 1.272 0.025 . . . . . 15923 2 20 . 1 1 25 25 HIS N N 15 0.927 0.071 . . . . . 15923 2 21 . 1 1 26 26 LYS N N 15 1.158 0.033 . . . . . 15923 2 22 . 1 1 27 27 LEU N N 15 1.249 0.057 . . . . . 15923 2 23 . 1 1 28 28 LYS N N 15 1.123 0.047 . . . . . 15923 2 24 . 1 1 29 29 LYS N N 15 0.958 0.040 . . . . . 15923 2 25 . 1 1 30 30 SER N N 15 1.026 0.035 . . . . . 15923 2 26 . 1 1 31 31 GLU N N 15 1.125 0.015 . . . . . 15923 2 27 . 1 1 32 32 LEU N N 15 1.104 0.019 . . . . . 15923 2 28 . 1 1 33 33 LYS N N 15 1.145 0.015 . . . . . 15923 2 29 . 1 1 34 34 GLU N N 15 1.110 0.023 . . . . . 15923 2 30 . 1 1 35 35 LEU N N 15 1.130 0.023 . . . . . 15923 2 31 . 1 1 36 36 ILE N N 15 1.103 0.028 . . . . . 15923 2 32 . 1 1 37 37 ASN N N 15 1.110 0.020 . . . . . 15923 2 33 . 1 1 38 38 ASN N N 15 1.127 0.018 . . . . . 15923 2 34 . 1 1 39 39 GLU N N 15 1.171 0.033 . . . . . 15923 2 35 . 1 1 40 40 LEU N N 15 1.435 0.079 . . . . . 15923 2 36 . 1 1 41 41 SER N N 15 1.102 0.092 . . . . . 15923 2 37 . 1 1 42 42 HIS N N 15 0.959 0.211 . . . . . 15923 2 38 . 1 1 43 43 PHE N N 15 0.844 0.091 . . . . . 15923 2 39 . 1 1 44 44 LEU N N 15 1.053 0.096 . . . . . 15923 2 40 . 1 1 45 45 GLU N N 15 1.166 0.053 . . . . . 15923 2 41 . 1 1 46 46 GLU N N 15 1.175 0.046 . . . . . 15923 2 42 . 1 1 48 48 LYS N N 15 1.040 0.128 . . . . . 15923 2 43 . 1 1 49 49 GLU N N 15 1.126 0.020 . . . . . 15923 2 44 . 1 1 51 51 GLU N N 15 1.039 0.035 . . . . . 15923 2 45 . 1 1 52 52 VAL N N 15 1.221 0.030 . . . . . 15923 2 46 . 1 1 53 53 VAL N N 15 1.125 0.044 . . . . . 15923 2 47 . 1 1 54 54 ASP N N 15 1.177 0.028 . . . . . 15923 2 48 . 1 1 55 55 LYS N N 15 1.171 0.013 . . . . . 15923 2 49 . 1 1 56 56 VAL N N 15 1.154 0.027 . . . . . 15923 2 50 . 1 1 57 57 MET N N 15 1.156 0.011 . . . . . 15923 2 51 . 1 1 58 58 GLU N N 15 1.182 0.020 . . . . . 15923 2 52 . 1 1 59 59 THR N N 15 1.162 0.020 . . . . . 15923 2 53 . 1 1 60 60 LEU N N 15 1.084 0.022 . . . . . 15923 2 54 . 1 1 61 61 ASP N N 15 1.269 0.039 . . . . . 15923 2 55 . 1 1 62 62 GLU N N 15 1.392 0.032 . . . . . 15923 2 56 . 1 1 63 63 ASP N N 15 1.136 0.010 . . . . . 15923 2 57 . 1 1 64 64 GLY N N 15 1.226 0.009 . . . . . 15923 2 58 . 1 1 65 65 ASP N N 15 1.241 0.010 . . . . . 15923 2 59 . 1 1 66 66 GLY N N 15 1.201 0.013 . . . . . 15923 2 60 . 1 1 67 67 GLU N N 15 1.135 0.008 . . . . . 15923 2 61 . 1 1 68 68 CYS N N 15 1.234 0.032 . . . . . 15923 2 62 . 1 1 69 69 ASP N N 15 1.020 0.054 . . . . . 15923 2 63 . 1 1 70 70 PHE N N 15 1.059 0.039 . . . . . 15923 2 64 . 1 1 71 71 GLN N N 15 1.127 0.030 . . . . . 15923 2 65 . 1 1 72 72 GLU N N 15 1.131 0.045 . . . . . 15923 2 66 . 1 1 73 73 PHE N N 15 1.135 0.034 . . . . . 15923 2 67 . 1 1 74 74 MET N N 15 1.169 0.059 . . . . . 15923 2 68 . 1 1 75 75 ALA N N 15 1.200 0.088 . . . . . 15923 2 69 . 1 1 76 76 PHE N N 15 1.181 0.066 . . . . . 15923 2 70 . 1 1 77 77 VAL N N 15 1.098 0.048 . . . . . 15923 2 71 . 1 1 78 78 SER N N 15 1.270 0.182 . . . . . 15923 2 72 . 1 1 79 79 MET N N 15 1.167 0.077 . . . . . 15923 2 73 . 1 1 83 83 ALA N N 15 1.230 0.183 . . . . . 15923 2 74 . 1 1 86 86 GLU N N 15 1.144 0.177 . . . . . 15923 2 75 . 1 1 87 87 PHE N N 15 0.875 0.059 . . . . . 15923 2 76 . 1 1 88 88 PHE N N 15 0.887 0.063 . . . . . 15923 2 77 . 1 1 89 89 GLU N N 15 0.750 0.056 . . . . . 15923 2 78 . 1 1 90 90 HIS N N 15 0.701 0.034 . . . . . 15923 2 79 . 1 1 91 91 GLU N N 15 0.695 0.004 . . . . . 15923 2 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 15923 _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 600.13 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _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 1 IPAP . . . 15923 1 2 HNCOCA . . . 15923 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 GLU N N 15 0.064 0.001 . . . . . . . 15923 1 2 . 1 1 3 3 LEU N N 15 0.064 0.002 . . . . . . . 15923 1 3 . 1 1 4 4 GLU N N 15 0.061 0.001 . . . . . . . 15923 1 4 . 1 1 5 5 LYS N N 15 0.064 0.002 . . . . . . . 15923 1 5 . 1 1 6 6 ALA N N 15 0.061 0.001 . . . . . . . 15923 1 6 . 1 1 7 7 MET N N 15 0.053 0.003 . . . . . . . 15923 1 7 . 1 1 8 8 VAL N N 15 0.062 0.001 . . . . . . . 15923 1 8 . 1 1 9 9 ALA N N 15 0.061 0.002 . . . . . . . 15923 1 9 . 1 1 10 10 LEU N N 15 0.062 0.001 . . . . . . . 15923 1 10 . 1 1 11 11 ILE N N 15 0.060 0.003 . . . . . . . 15923 1 11 . 1 1 12 12 ASP N N 15 0.053 0.004 . . . . . . . 15923 1 12 . 1 1 13 13 VAL N N 15 0.056 0.002 . . . . . . . 15923 1 13 . 1 1 14 14 PHE N N 15 0.055 0.002 . . . . . . . 15923 1 14 . 1 1 15 15 HIS N N 15 0.054 0.003 . . . . . . . 15923 1 15 . 1 1 16 16 GLN N N 15 0.070 0.002 . . . . . . . 15923 1 16 . 1 1 17 17 TYR N N 15 0.068 0.002 . . . . . . . 15923 1 17 . 1 1 18 18 SER N N 15 0.062 0.002 . . . . . . . 15923 1 18 . 1 1 19 19 GLY N N 15 0.069 0.001 . . . . . . . 15923 1 19 . 1 1 20 20 ARG N N 15 0.070 0.001 . . . . . . . 15923 1 20 . 1 1 21 21 GLU N N 15 0.067 0.001 . . . . . . . 15923 1 21 . 1 1 25 25 HIS N N 15 0.061 0.003 . . . . . . . 15923 1 22 . 1 1 26 26 LYS N N 15 0.065 0.001 . . . . . . . 15923 1 23 . 1 1 27 27 LEU N N 15 0.065 0.002 . . . . . . . 15923 1 24 . 1 1 28 28 LYS N N 15 0.073 0.002 . . . . . . . 15923 1 25 . 1 1 29 29 LYS N N 15 0.067 0.002 . . . . . . . 15923 1 26 . 1 1 30 30 SER N N 15 0.068 0.002 . . . . . . . 15923 1 27 . 1 1 31 31 GLU N N 15 0.076 0.001 . . . . . . . 15923 1 28 . 1 1 32 32 LEU N N 15 0.064 0.001 . . . . . . . 15923 1 29 . 1 1 33 33 LYS N N 15 0.064 0.001 . . . . . . . 15923 1 30 . 1 1 34 34 GLU N N 15 0.064 0.001 . . . . . . . 15923 1 31 . 1 1 35 35 LEU N N 15 0.067 0.001 . . . . . . . 15923 1 32 . 1 1 36 36 ILE N N 15 0.071 0.003 . . . . . . . 15923 1 33 . 1 1 37 37 ASN N N 15 0.060 0.001 . . . . . . . 15923 1 34 . 1 1 38 38 ASN N N 15 0.067 0.001 . . . . . . . 15923 1 35 . 1 1 39 39 GLU N N 15 0.069 0.002 . . . . . . . 15923 1 36 . 1 1 41 41 SER N N 15 0.066 0.003 . . . . . . . 15923 1 37 . 1 1 42 42 HIS N N 15 0.054 0.007 . . . . . . . 15923 1 38 . 1 1 44 44 LEU N N 15 0.051 0.002 . . . . . . . 15923 1 39 . 1 1 45 45 GLU N N 15 0.078 0.002 . . . . . . . 15923 1 40 . 1 1 46 46 GLU N N 15 0.069 0.002 . . . . . . . 15923 1 41 . 1 1 48 48 LYS N N 15 0.067 0.007 . . . . . . . 15923 1 42 . 1 1 49 49 GLU N N 15 0.087 0.001 . . . . . . . 15923 1 43 . 1 1 51 51 GLU N N 15 0.064 0.002 . . . . . . . 15923 1 44 . 1 1 52 52 VAL N N 15 0.068 0.001 . . . . . . . 15923 1 45 . 1 1 53 53 VAL N N 15 0.064 0.002 . . . . . . . 15923 1 46 . 1 1 54 54 ASP N N 15 0.063 0.001 . . . . . . . 15923 1 47 . 1 1 55 55 LYS N N 15 0.065 0.001 . . . . . . . 15923 1 48 . 1 1 56 56 VAL N N 15 0.067 0.001 . . . . . . . 15923 1 49 . 1 1 57 57 MET N N 15 0.062 0.001 . . . . . . . 15923 1 50 . 1 1 58 58 GLU N N 15 0.063 0.001 . . . . . . . 15923 1 51 . 1 1 59 59 THR N N 15 0.064 0.001 . . . . . . . 15923 1 52 . 1 1 60 60 LEU N N 15 0.062 0.001 . . . . . . . 15923 1 53 . 1 1 61 61 ASP N N 15 0.062 0.001 . . . . . . . 15923 1 54 . 1 1 62 62 GLU N N 15 0.087 0.002 . . . . . . . 15923 1 55 . 1 1 63 63 ASP N N 15 0.071 0.001 . . . . . . . 15923 1 56 . 1 1 64 64 GLY N N 15 0.078 0.001 . . . . . . . 15923 1 57 . 1 1 65 65 ASP N N 15 0.066 0.001 . . . . . . . 15923 1 58 . 1 1 66 66 GLY N N 15 0.068 0.001 . . . . . . . 15923 1 59 . 1 1 67 67 GLU N N 15 0.066 0.000 . . . . . . . 15923 1 60 . 1 1 68 68 CYS N N 15 0.071 0.001 . . . . . . . 15923 1 61 . 1 1 69 69 ASP N N 15 0.074 0.003 . . . . . . . 15923 1 62 . 1 1 70 70 PHE N N 15 0.066 0.002 . . . . . . . 15923 1 63 . 1 1 71 71 GLN N N 15 0.068 0.001 . . . . . . . 15923 1 64 . 1 1 72 72 GLU N N 15 0.070 0.002 . . . . . . . 15923 1 65 . 1 1 73 73 PHE N N 15 0.065 0.001 . . . . . . . 15923 1 66 . 1 1 74 74 MET N N 15 0.063 0.002 . . . . . . . 15923 1 67 . 1 1 75 75 ALA N N 15 0.072 0.003 . . . . . . . 15923 1 68 . 1 1 76 76 PHE N N 15 0.065 0.002 . . . . . . . 15923 1 69 . 1 1 77 77 VAL N N 15 0.061 0.002 . . . . . . . 15923 1 70 . 1 1 78 78 SER N N 15 0.063 0.006 . . . . . . . 15923 1 71 . 1 1 79 79 MET N N 15 0.062 0.002 . . . . . . . 15923 1 72 . 1 1 83 83 ALA N N 15 0.057 0.003 . . . . . . . 15923 1 73 . 1 1 84 84 CYS N N 15 0.046 0.003 . . . . . . . 15923 1 74 . 1 1 85 85 HIS N N 15 0.096 0.013 . . . . . . . 15923 1 75 . 1 1 87 87 PHE N N 15 0.059 0.002 . . . . . . . 15923 1 76 . 1 1 88 88 PHE N N 15 0.061 0.002 . . . . . . . 15923 1 77 . 1 1 89 89 GLU N N 15 0.095 0.004 . . . . . . . 15923 1 78 . 1 1 90 90 HIS N N 15 0.090 0.003 . . . . . . . 15923 1 79 . 1 1 91 91 GLU N N 15 0.230 0.003 . . . . . . . 15923 1 stop_ save_ save_heteronuclear_T2_list_2 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_2 _Heteronucl_T2_list.Entry_ID 15923 _Heteronucl_T2_list.ID 2 _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 800 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _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 1 IPAP . . . 15923 2 2 HNCOCA . . . 15923 2 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 GLU N N 15 0.051 0.002 . . . . . . . 15923 2 2 . 1 1 3 3 LEU N N 15 0.051 0.003 . . . . . . . 15923 2 3 . 1 1 4 4 GLU N N 15 0.049 0.002 . . . . . . . 15923 2 4 . 1 1 5 5 LYS N N 15 0.049 0.002 . . . . . . . 15923 2 5 . 1 1 6 6 ALA N N 15 0.065 0.002 . . . . . . . 15923 2 6 . 1 1 7 7 MET N N 15 0.052 0.001 . . . . . . . 15923 2 7 . 1 1 8 8 VAL N N 15 0.051 0.002 . . . . . . . 15923 2 8 . 1 1 9 9 ALA N N 15 0.053 0.003 . . . . . . . 15923 2 9 . 1 1 10 10 LEU N N 15 0.053 0.002 . . . . . . . 15923 2 10 . 1 1 11 11 ILE N N 15 0.050 0.003 . . . . . . . 15923 2 11 . 1 1 12 12 ASP N N 15 0.038 0.003 . . . . . . . 15923 2 12 . 1 1 13 13 VAL N N 15 0.042 0.002 . . . . . . . 15923 2 13 . 1 1 14 14 PHE N N 15 0.046 0.002 . . . . . . . 15923 2 14 . 1 1 15 15 HIS N N 15 0.044 0.002 . . . . . . . 15923 2 15 . 1 1 16 16 GLN N N 15 0.042 0.001 . . . . . . . 15923 2 16 . 1 1 17 17 TYR N N 15 0.048 0.001 . . . . . . . 15923 2 17 . 1 1 18 18 SER N N 15 0.047 0.002 . . . . . . . 15923 2 18 . 1 1 19 19 GLY N N 15 0.059 0.002 . . . . . . . 15923 2 19 . 1 1 20 20 ARG N N 15 0.048 0.001 . . . . . . . 15923 2 20 . 1 1 21 21 GLU N N 15 0.050 0.001 . . . . . . . 15923 2 21 . 1 1 25 25 HIS N N 15 0.044 0.002 . . . . . . . 15923 2 22 . 1 1 26 26 LYS N N 15 0.050 0.001 . . . . . . . 15923 2 23 . 1 1 27 27 LEU N N 15 0.043 0.001 . . . . . . . 15923 2 24 . 1 1 28 28 LYS N N 15 0.064 0.003 . . . . . . . 15923 2 25 . 1 1 29 29 LYS N N 15 0.043 0.002 . . . . . . . 15923 2 26 . 1 1 30 30 SER N N 15 0.058 0.004 . . . . . . . 15923 2 27 . 1 1 31 31 GLU N N 15 0.067 0.002 . . . . . . . 15923 2 28 . 1 1 32 32 LEU N N 15 0.053 0.001 . . . . . . . 15923 2 29 . 1 1 33 33 LYS N N 15 0.050 0.001 . . . . . . . 15923 2 30 . 1 1 34 34 GLU N N 15 0.051 0.001 . . . . . . . 15923 2 31 . 1 1 35 35 LEU N N 15 0.062 0.002 . . . . . . . 15923 2 32 . 1 1 36 36 ILE N N 15 0.059 0.003 . . . . . . . 15923 2 33 . 1 1 37 37 ASN N N 15 0.047 0.001 . . . . . . . 15923 2 34 . 1 1 38 38 ASN N N 15 0.054 0.001 . . . . . . . 15923 2 35 . 1 1 39 39 GLU N N 15 0.051 0.002 . . . . . . . 15923 2 36 . 1 1 40 40 LEU N N 15 0.051 0.004 . . . . . . . 15923 2 37 . 1 1 41 41 SER N N 15 0.054 0.004 . . . . . . . 15923 2 38 . 1 1 42 42 HIS N N 15 0.041 0.007 . . . . . . . 15923 2 39 . 1 1 44 44 LEU N N 15 0.050 0.005 . . . . . . . 15923 2 40 . 1 1 45 45 GLU N N 15 0.053 0.003 . . . . . . . 15923 2 41 . 1 1 46 46 GLU N N 15 0.035 0.002 . . . . . . . 15923 2 42 . 1 1 48 48 LYS N N 15 0.045 0.007 . . . . . . . 15923 2 43 . 1 1 49 49 GLU N N 15 0.063 0.002 . . . . . . . 15923 2 44 . 1 1 51 51 GLU N N 15 0.048 0.002 . . . . . . . 15923 2 45 . 1 1 52 52 VAL N N 15 0.054 0.002 . . . . . . . 15923 2 46 . 1 1 53 53 VAL N N 15 0.050 0.003 . . . . . . . 15923 2 47 . 1 1 54 54 ASP N N 15 0.045 0.001 . . . . . . . 15923 2 48 . 1 1 55 55 LYS N N 15 0.053 0.001 . . . . . . . 15923 2 49 . 1 1 56 56 VAL N N 15 0.047 0.001 . . . . . . . 15923 2 50 . 1 1 57 57 MET N N 15 0.050 0.001 . . . . . . . 15923 2 51 . 1 1 58 58 GLU N N 15 0.052 0.001 . . . . . . . 15923 2 52 . 1 1 59 59 THR N N 15 0.045 0.001 . . . . . . . 15923 2 53 . 1 1 60 60 LEU N N 15 0.052 0.001 . . . . . . . 15923 2 54 . 1 1 61 61 ASP N N 15 0.052 0.002 . . . . . . . 15923 2 55 . 1 1 62 62 GLU N N 15 0.062 0.002 . . . . . . . 15923 2 56 . 1 1 63 63 ASP N N 15 0.060 0.001 . . . . . . . 15923 2 57 . 1 1 64 64 GLY N N 15 0.059 0.001 . . . . . . . 15923 2 58 . 1 1 66 66 GLY N N 15 0.050 0.001 . . . . . . . 15923 2 59 . 1 1 67 67 GLU N N 15 0.053 0.001 . . . . . . . 15923 2 60 . 1 1 68 68 CYS N N 15 0.069 0.003 . . . . . . . 15923 2 61 . 1 1 69 69 ASP N N 15 0.055 0.003 . . . . . . . 15923 2 62 . 1 1 70 70 PHE N N 15 0.053 0.002 . . . . . . . 15923 2 63 . 1 1 71 71 GLN N N 15 0.055 0.001 . . . . . . . 15923 2 64 . 1 1 72 72 GLU N N 15 0.058 0.002 . . . . . . . 15923 2 65 . 1 1 73 73 PHE N N 15 0.052 0.001 . . . . . . . 15923 2 66 . 1 1 74 74 MET N N 15 0.047 0.001 . . . . . . . 15923 2 67 . 1 1 75 75 ALA N N 15 0.043 0.002 . . . . . . . 15923 2 68 . 1 1 76 76 PHE N N 15 0.046 0.001 . . . . . . . 15923 2 69 . 1 1 77 77 VAL N N 15 0.053 0.002 . . . . . . . 15923 2 70 . 1 1 78 78 SER N N 15 0.042 0.003 . . . . . . . 15923 2 71 . 1 1 79 79 MET N N 15 0.078 0.006 . . . . . . . 15923 2 72 . 1 1 80 80 VAL N N 15 0.051 0.001 . . . . . . . 15923 2 73 . 1 1 83 83 ALA N N 15 0.052 0.007 . . . . . . . 15923 2 74 . 1 1 84 84 CYS N N 15 0.039 0.004 . . . . . . . 15923 2 75 . 1 1 87 87 PHE N N 15 0.046 0.003 . . . . . . . 15923 2 76 . 1 1 88 88 PHE N N 15 0.041 0.002 . . . . . . . 15923 2 77 . 1 1 89 89 GLU N N 15 0.071 0.003 . . . . . . . 15923 2 78 . 1 1 90 90 HIS N N 15 0.069 0.005 . . . . . . . 15923 2 79 . 1 1 91 91 GLU N N 15 0.190 0.003 . . . . . . . 15923 2 stop_ save_