data_15793 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15793 _Entry.Title ; CopR Repressor Structure ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-06-03 _Entry.Accession_date 2008-06-03 _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 'CopR-NTD with the his tag was a protein of 99 amino acids, consisting of the 25 amino acid tag, MSYYHHHHHHDYDIPTTENLYFQGA, followed by the N-terminal 74 residues of CopR.' _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 Francesca Cantini . . . 15793 2 Lucia Banci . . . 15793 3 David Magnani . . . 15793 4 Marc Solioz . . . 15793 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' . 15793 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA binding protein' . 15793 'Winged Helix' . 15793 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15793 heteronucl_NOEs 1 15793 heteronucl_T1_relaxation 1 15793 heteronucl_T2_relaxation 1 15793 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 230 15793 '15N chemical shifts' 52 15793 '1H chemical shifts' 407 15793 'heteronuclear NOE values' 49 15793 'T1 relaxation values' 49 15793 'T2 relaxation values' 49 15793 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 2 . . 2009-02-24 2008-06-03 update BMRB 'complete entry citation' 15793 1 . . 2008-11-14 2008-06-03 original author 'original release' 15793 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K4B 'BMRB Entry Tracking System' 15793 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15793 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18837698 _Citation.Full_citation . _Citation.Title ; The copper-responsive repressor CopR of Lactococcus lactis is a 'winged helix' protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full 'The Biochemical Journal' _Citation.Journal_volume . _Citation.Journal_issue 417 _Citation.Journal_ASTM 2 _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 493 _Citation.Page_last 499 _Citation.Year 2009 _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 Francesca Cantini . . . 15793 1 2 Lucia Banci . . . 15793 1 3 Marc Solioz . . . 15793 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15793 _Assembly.ID 1 _Assembly.Name CopR-NTD _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic 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 $CopR-NTD A . yes native no no . . . 15793 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CopR-NTD _Entity.Sf_category entity _Entity.Sf_framecode CopR-NTD _Entity.Entry_ID 15793 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CopR-NTD _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 ; MSYYHHHHHHDYDIPTTENL YFQGAMNEVEFNVSNAELIV MRVIWSLGEARVDEIYAQIP QELEWSLATVKTLLGRLVKK EMLSTEKEGRKFVYRPLME ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residue numbering was based on the uncleaved 99 residue CopR-NTD, i.e. M1,S2' _Entity.Polymer_author_seq_details 'CopR-NTD with the his tag was a protein of 99 amino acids, consisting of the 25 amino acid tag, MSYYHHHHHHDYDIPTTENLYFQGA, followed by the N-terminal 74 residues of CopR.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'N terminal domain of CopR' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8064.518 _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 PDB 2K4B . "Copr Repressor Structure" . . . . . 100.00 99 100.00 100.00 2.79e-66 . . . . 15793 1 2 no DBJ BAL50764 . "transcription regulator [Lactococcus lactis subsp. lactis IO-1]" . . . . . 74.75 151 100.00 100.00 8.24e-45 . . . . 15793 1 3 no DBJ GAM79848 . "predicted transcriptional regulator [Lactococcus lactis subsp. lactis]" . . . . . 74.75 151 100.00 100.00 8.24e-45 . . . . 15793 1 4 no EMBL CAL98303 . "transcriptional regulator [Lactococcus lactis subsp. cremoris MG1363]" . . . . . 74.75 151 98.65 100.00 8.51e-45 . . . . 15793 1 5 no EMBL CDG05267 . "Transcriptional regulator [Lactococcus lactis subsp. lactis A12]" . . . . . 74.75 151 100.00 100.00 8.24e-45 . . . . 15793 1 6 no EMBL CDI47235 . "Negative transcriptional regulator-copper transport operon [Lactococcus lactis subsp. lactis Dephy 1]" . . . . . 74.75 151 100.00 100.00 8.24e-45 . . . . 15793 1 7 no GB AAK04930 . "transcriptional regulator [Lactococcus lactis subsp. lactis Il1403]" . . . . . 74.75 151 100.00 100.00 8.24e-45 . . . . 15793 1 8 no GB ABJ72438 . "Predicted transcriptional regulator [Lactococcus lactis subsp. cremoris SK11]" . . . . . 74.75 151 98.65 100.00 1.02e-44 . . . . 15793 1 9 no GB ADA64579 . "Copper transport repressor, CopY/TcrY family [Lactococcus lactis subsp. lactis KF147]" . . . . . 74.75 151 100.00 100.00 8.24e-45 . . . . 15793 1 10 no GB ADJ60716 . "transcriptional regulator [Lactococcus lactis subsp. cremoris NZ9000]" . . . . . 74.75 151 98.65 100.00 8.51e-45 . . . . 15793 1 11 no GB ADZ63448 . "copper transport repressor, CopY/TcrY family [Lactococcus lactis subsp. lactis CV56]" . . . . . 74.75 151 100.00 100.00 8.24e-45 . . . . 15793 1 12 no REF NP_266988 . "transcriptional regulator [Lactococcus lactis subsp. lactis Il1403]" . . . . . 74.75 151 100.00 100.00 8.24e-45 . . . . 15793 1 13 no REF WP_003132584 . "transcriptional regulator [Lactococcus lactis]" . . . . . 74.75 151 100.00 100.00 8.24e-45 . . . . 15793 1 14 no REF WP_011675785 . "transcriptional regulator [Lactococcus lactis]" . . . . . 74.75 151 98.65 100.00 1.02e-44 . . . . 15793 1 15 no REF WP_011835521 . "transcriptional regulator [Lactococcus lactis]" . . . . . 74.75 151 98.65 100.00 8.51e-45 . . . . 15793 1 16 no REF WP_033900304 . "transcriptional regulator [Lactococcus lactis]" . . . . . 74.75 151 100.00 100.00 7.31e-45 . . . . 15793 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Copper-Responsive Repressor' 15793 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 . MET . 15793 1 2 . SER . 15793 1 3 . TYR . 15793 1 4 . TYR . 15793 1 5 . HIS . 15793 1 6 . HIS . 15793 1 7 . HIS . 15793 1 8 . HIS . 15793 1 9 . HIS . 15793 1 10 . HIS . 15793 1 11 . ASP . 15793 1 12 . TYR . 15793 1 13 . ASP . 15793 1 14 . ILE . 15793 1 15 . PRO . 15793 1 16 . THR . 15793 1 17 . THR . 15793 1 18 . GLU . 15793 1 19 . ASN . 15793 1 20 . LEU . 15793 1 21 . TYR . 15793 1 22 . PHE . 15793 1 23 . GLN . 15793 1 24 . GLY . 15793 1 25 . ALA . 15793 1 26 . MET . 15793 1 27 . ASN . 15793 1 28 . GLU . 15793 1 29 . VAL . 15793 1 30 . GLU . 15793 1 31 . PHE . 15793 1 32 . ASN . 15793 1 33 . VAL . 15793 1 34 . SER . 15793 1 35 . ASN . 15793 1 36 . ALA . 15793 1 37 . GLU . 15793 1 38 . LEU . 15793 1 39 . ILE . 15793 1 40 . VAL . 15793 1 41 . MET . 15793 1 42 . ARG . 15793 1 43 . VAL . 15793 1 44 . ILE . 15793 1 45 . TRP . 15793 1 46 . SER . 15793 1 47 . LEU . 15793 1 48 . GLY . 15793 1 49 . GLU . 15793 1 50 . ALA . 15793 1 51 . ARG . 15793 1 52 . VAL . 15793 1 53 . ASP . 15793 1 54 . GLU . 15793 1 55 . ILE . 15793 1 56 . TYR . 15793 1 57 . ALA . 15793 1 58 . GLN . 15793 1 59 . ILE . 15793 1 60 . PRO . 15793 1 61 . GLN . 15793 1 62 . GLU . 15793 1 63 . LEU . 15793 1 64 . GLU . 15793 1 65 . TRP . 15793 1 66 . SER . 15793 1 67 . LEU . 15793 1 68 . ALA . 15793 1 69 . THR . 15793 1 70 . VAL . 15793 1 71 . LYS . 15793 1 72 . THR . 15793 1 73 . LEU . 15793 1 74 . LEU . 15793 1 75 . GLY . 15793 1 76 . ARG . 15793 1 77 . LEU . 15793 1 78 . VAL . 15793 1 79 . LYS . 15793 1 80 . LYS . 15793 1 81 . GLU . 15793 1 82 . MET . 15793 1 83 . LEU . 15793 1 84 . SER . 15793 1 85 . THR . 15793 1 86 . GLU . 15793 1 87 . LYS . 15793 1 88 . GLU . 15793 1 89 . GLY . 15793 1 90 . ARG . 15793 1 91 . LYS . 15793 1 92 . PHE . 15793 1 93 . VAL . 15793 1 94 . TYR . 15793 1 95 . ARG . 15793 1 96 . PRO . 15793 1 97 . LEU . 15793 1 98 . MET . 15793 1 99 . GLU . 15793 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 . MET 1 1 15793 1 . SER 2 2 15793 1 . TYR 3 3 15793 1 . TYR 4 4 15793 1 . HIS 5 5 15793 1 . HIS 6 6 15793 1 . HIS 7 7 15793 1 . HIS 8 8 15793 1 . HIS 9 9 15793 1 . HIS 10 10 15793 1 . ASP 11 11 15793 1 . TYR 12 12 15793 1 . ASP 13 13 15793 1 . ILE 14 14 15793 1 . PRO 15 15 15793 1 . THR 16 16 15793 1 . THR 17 17 15793 1 . GLU 18 18 15793 1 . ASN 19 19 15793 1 . LEU 20 20 15793 1 . TYR 21 21 15793 1 . PHE 22 22 15793 1 . GLN 23 23 15793 1 . GLY 24 24 15793 1 . ALA 25 25 15793 1 . MET 26 26 15793 1 . ASN 27 27 15793 1 . GLU 28 28 15793 1 . VAL 29 29 15793 1 . GLU 30 30 15793 1 . PHE 31 31 15793 1 . ASN 32 32 15793 1 . VAL 33 33 15793 1 . SER 34 34 15793 1 . ASN 35 35 15793 1 . ALA 36 36 15793 1 . GLU 37 37 15793 1 . LEU 38 38 15793 1 . ILE 39 39 15793 1 . VAL 40 40 15793 1 . MET 41 41 15793 1 . ARG 42 42 15793 1 . VAL 43 43 15793 1 . ILE 44 44 15793 1 . TRP 45 45 15793 1 . SER 46 46 15793 1 . LEU 47 47 15793 1 . GLY 48 48 15793 1 . GLU 49 49 15793 1 . ALA 50 50 15793 1 . ARG 51 51 15793 1 . VAL 52 52 15793 1 . ASP 53 53 15793 1 . GLU 54 54 15793 1 . ILE 55 55 15793 1 . TYR 56 56 15793 1 . ALA 57 57 15793 1 . GLN 58 58 15793 1 . ILE 59 59 15793 1 . PRO 60 60 15793 1 . GLN 61 61 15793 1 . GLU 62 62 15793 1 . LEU 63 63 15793 1 . GLU 64 64 15793 1 . TRP 65 65 15793 1 . SER 66 66 15793 1 . LEU 67 67 15793 1 . ALA 68 68 15793 1 . THR 69 69 15793 1 . VAL 70 70 15793 1 . LYS 71 71 15793 1 . THR 72 72 15793 1 . LEU 73 73 15793 1 . LEU 74 74 15793 1 . GLY 75 75 15793 1 . ARG 76 76 15793 1 . LEU 77 77 15793 1 . VAL 78 78 15793 1 . LYS 79 79 15793 1 . LYS 80 80 15793 1 . GLU 81 81 15793 1 . MET 82 82 15793 1 . LEU 83 83 15793 1 . SER 84 84 15793 1 . THR 85 85 15793 1 . GLU 86 86 15793 1 . LYS 87 87 15793 1 . GLU 88 88 15793 1 . GLY 89 89 15793 1 . ARG 90 90 15793 1 . LYS 91 91 15793 1 . PHE 92 92 15793 1 . VAL 93 93 15793 1 . TYR 94 94 15793 1 . ARG 95 95 15793 1 . PRO 96 96 15793 1 . LEU 97 97 15793 1 . MET 98 98 15793 1 . GLU 99 99 15793 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15793 _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 $CopR-NTD . 1358 organism . 'Lactococcus lactis' 'Lactococcus lactis' . . Bacteria . Lactococcus lactis . . . . . . . . . . . . . . . . . . . . . 15793 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 15793 _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 $CopR-NTD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'E. coli BL21(DE3) (Stratagene)' . . . . . . . . . . . . . . . pLlcopyLT298 . . . 'For biochemical experiments, E. coli BL21(DE3) (Stratagene) containing plasmid pLlcopyLT298 was grown aerobically at 37 C to an OD550 of 0.4. After 4 h of induction with 1 mM isopropyl-b-D-galactopyranoside (IPTG), the cells were collected by centrifugation for 10 min at 5000 g. The cell pellet was washed twice with 200 ml TG buffer (50 mM Tris-SO4, pH 7.8, 5 % (v/v) glycerol) and resuspended in 5 ml of TG buffer/g of wet cells. The cells were broken by 3 passages through a French press at 40 MPa. The cell debris was collected by centrifugation for 1 h at 90 000 g and the supernatant applied to a Ni-NTA Superflow (Qiagen) column. Following washing of the column with 20 mM imidazole, CopR was eluted with TG buffer containing 200 mM imidazole. Final purification was achieved by gel filtration on a TSK3000G column in TG buffer.' . . 15793 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15793 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 CopR-NTD '[U-99% 13C; U-99% 15N]' . . 1 $CopR-NTD . . 0.2 . . mM 0.05 . . . 15793 1 2 NaPi . . . . . . . 50 . . mM . . . . 15793 1 3 NaCl . . . . . . . 100 . . mM . . . . 15793 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15793 1 5 D2O . . . . . . . 10 . . % . . . . 15793 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 15793 _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' 0.25 . M 15793 1 pH 7.5 . pH 15793 1 pressure 1 . atm 15793 1 temperature 298 . K 15793 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15793 _Software.ID 1 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CARA . http://www.nmr.ch/ 15793 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15793 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15793 _Software.ID 2 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15793 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15793 2 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 15793 _Software.ID 3 _Software.Name AMBER _Software.Version 9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 15793 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15793 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15793 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15793 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15793 4 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 15793 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15793 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 15793 _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 Avance . 900 . . . 15793 1 2 spectrometer_2 Bruker Avance . 700 . . . 15793 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 15793 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15793 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15793 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15793 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15793 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15793 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15793 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15793 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15793 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15793 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15793 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15793 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 dioxane 'methylene carbons' . . . . ppm 69.3 external direct 1.0 . . . . . . . . . 15793 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15793 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15793 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15793 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D CBCA(CO)NH' . . . 15793 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 36 36 ALA HA H 1 4.250 0.020 . 1 . . . . 36 ALA HA . 15793 1 2 . 1 1 36 36 ALA HB1 H 1 1.301 0.020 . 1 . . . . 36 ALA HB . 15793 1 3 . 1 1 36 36 ALA HB2 H 1 1.301 0.020 . 1 . . . . 36 ALA HB . 15793 1 4 . 1 1 36 36 ALA HB3 H 1 1.301 0.020 . 1 . . . . 36 ALA HB . 15793 1 5 . 1 1 36 36 ALA CA C 13 55.550 0.3 . 1 . . . . 36 ALA CA . 15793 1 6 . 1 1 36 36 ALA CB C 13 19.203 0.3 . 1 . . . . 36 ALA CB . 15793 1 7 . 1 1 39 39 ILE HA H 1 4.250 0.020 . 1 . . . . 39 ILE HA . 15793 1 8 . 1 1 39 39 ILE HB H 1 1.692 0.020 . 1 . . . . 39 ILE HB . 15793 1 9 . 1 1 39 39 ILE HD11 H 1 0.696 0.020 . 1 . . . . 39 ILE HD1 . 15793 1 10 . 1 1 39 39 ILE HD12 H 1 0.696 0.020 . 1 . . . . 39 ILE HD1 . 15793 1 11 . 1 1 39 39 ILE HD13 H 1 0.696 0.020 . 1 . . . . 39 ILE HD1 . 15793 1 12 . 1 1 39 39 ILE HG12 H 1 1.331 0.020 . 2 . . . . 39 ILE HG12 . 15793 1 13 . 1 1 39 39 ILE HG13 H 1 0.985 0.020 . 2 . . . . 39 ILE HG13 . 15793 1 14 . 1 1 39 39 ILE HG21 H 1 0.754 0.020 . 1 . . . . 39 ILE HG2 . 15793 1 15 . 1 1 39 39 ILE HG22 H 1 0.754 0.020 . 1 . . . . 39 ILE HG2 . 15793 1 16 . 1 1 39 39 ILE HG23 H 1 0.754 0.020 . 1 . . . . 39 ILE HG2 . 15793 1 17 . 1 1 39 39 ILE CA C 13 58.724 0.3 . 1 . . . . 39 ILE CA . 15793 1 18 . 1 1 39 39 ILE CB C 13 38.496 0.3 . 1 . . . . 39 ILE CB . 15793 1 19 . 1 1 39 39 ILE CD1 C 13 12.822 0.3 . 1 . . . . 39 ILE CD1 . 15793 1 20 . 1 1 39 39 ILE CG1 C 13 26.847 0.3 . 1 . . . . 39 ILE CG1 . 15793 1 21 . 1 1 39 39 ILE CG2 C 13 16.914 0.3 . 1 . . . . 39 ILE CG2 . 15793 1 22 . 1 1 40 40 VAL HA H 1 3.198 0.020 . 1 . . . . 40 VAL HA . 15793 1 23 . 1 1 40 40 VAL HB H 1 1.939 0.020 . 1 . . . . 40 VAL HB . 15793 1 24 . 1 1 40 40 VAL HG11 H 1 1.016 0.020 . 1 . . . . 40 VAL HG1 . 15793 1 25 . 1 1 40 40 VAL HG12 H 1 1.016 0.020 . 1 . . . . 40 VAL HG1 . 15793 1 26 . 1 1 40 40 VAL HG13 H 1 1.016 0.020 . 1 . . . . 40 VAL HG1 . 15793 1 27 . 1 1 40 40 VAL HG21 H 1 0.492 0.020 . 1 . . . . 40 VAL HG2 . 15793 1 28 . 1 1 40 40 VAL HG22 H 1 0.492 0.020 . 1 . . . . 40 VAL HG2 . 15793 1 29 . 1 1 40 40 VAL HG23 H 1 0.492 0.020 . 1 . . . . 40 VAL HG2 . 15793 1 30 . 1 1 40 40 VAL CA C 13 67.086 0.3 . 1 . . . . 40 VAL CA . 15793 1 31 . 1 1 40 40 VAL CB C 13 30.969 0.3 . 1 . . . . 40 VAL CB . 15793 1 32 . 1 1 40 40 VAL CG1 C 13 24.301 0.3 . 1 . . . . 40 VAL CG1 . 15793 1 33 . 1 1 40 40 VAL CG2 C 13 22.240 0.3 . 1 . . . . 40 VAL CG2 . 15793 1 34 . 1 1 42 42 ARG HA H 1 3.770 0.020 . 1 . . . . 42 ARG HA . 15793 1 35 . 1 1 42 42 ARG CA C 13 55.107 0.3 . 1 . . . . 42 ARG CA . 15793 1 36 . 1 1 43 43 VAL H H 1 7.364 0.020 . 1 . . . . 43 VAL H . 15793 1 37 . 1 1 43 43 VAL HA H 1 3.506 0.020 . 1 . . . . 43 VAL HA . 15793 1 38 . 1 1 43 43 VAL HB H 1 2.120 0.020 . 1 . . . . 43 VAL HB . 15793 1 39 . 1 1 43 43 VAL HG11 H 1 0.904 0.020 . 1 . . . . 43 VAL HG1 . 15793 1 40 . 1 1 43 43 VAL HG12 H 1 0.904 0.020 . 1 . . . . 43 VAL HG1 . 15793 1 41 . 1 1 43 43 VAL HG13 H 1 0.904 0.020 . 1 . . . . 43 VAL HG1 . 15793 1 42 . 1 1 43 43 VAL HG21 H 1 0.846 0.020 . 1 . . . . 43 VAL HG2 . 15793 1 43 . 1 1 43 43 VAL HG22 H 1 0.846 0.020 . 1 . . . . 43 VAL HG2 . 15793 1 44 . 1 1 43 43 VAL HG23 H 1 0.846 0.020 . 1 . . . . 43 VAL HG2 . 15793 1 45 . 1 1 43 43 VAL C C 13 178.600 0.3 . 1 . . . . 43 VAL C . 15793 1 46 . 1 1 43 43 VAL CA C 13 66.598 0.3 . 1 . . . . 43 VAL CA . 15793 1 47 . 1 1 43 43 VAL CB C 13 31.203 0.3 . 1 . . . . 43 VAL CB . 15793 1 48 . 1 1 43 43 VAL CG1 C 13 22.526 0.3 . 1 . . . . 43 VAL CG1 . 15793 1 49 . 1 1 43 43 VAL CG2 C 13 20.426 0.3 . 1 . . . . 43 VAL CG2 . 15793 1 50 . 1 1 43 43 VAL N N 15 119.765 0.3 . 1 . . . . 43 VAL N . 15793 1 51 . 1 1 44 44 ILE H H 1 7.829 0.020 . 1 . . . . 44 ILE H . 15793 1 52 . 1 1 44 44 ILE HA H 1 3.242 0.020 . 1 . . . . 44 ILE HA . 15793 1 53 . 1 1 44 44 ILE HB H 1 1.529 0.020 . 1 . . . . 44 ILE HB . 15793 1 54 . 1 1 44 44 ILE HD11 H 1 0.456 0.020 . 1 . . . . 44 ILE HD1 . 15793 1 55 . 1 1 44 44 ILE HD12 H 1 0.456 0.020 . 1 . . . . 44 ILE HD1 . 15793 1 56 . 1 1 44 44 ILE HD13 H 1 0.456 0.020 . 1 . . . . 44 ILE HD1 . 15793 1 57 . 1 1 44 44 ILE HG12 H 1 0.562 0.020 . 1 . . . . 44 ILE HG12 . 15793 1 58 . 1 1 44 44 ILE HG13 H 1 0.562 0.020 . 1 . . . . 44 ILE HG13 . 15793 1 59 . 1 1 44 44 ILE HG21 H 1 0.484 0.020 . 1 . . . . 44 ILE HG2 . 15793 1 60 . 1 1 44 44 ILE HG22 H 1 0.484 0.020 . 1 . . . . 44 ILE HG2 . 15793 1 61 . 1 1 44 44 ILE HG23 H 1 0.484 0.020 . 1 . . . . 44 ILE HG2 . 15793 1 62 . 1 1 44 44 ILE C C 13 178.289 0.3 . 1 . . . . 44 ILE C . 15793 1 63 . 1 1 44 44 ILE CA C 13 66.146 0.3 . 1 . . . . 44 ILE CA . 15793 1 64 . 1 1 44 44 ILE CB C 13 36.869 0.3 . 1 . . . . 44 ILE CB . 15793 1 65 . 1 1 44 44 ILE CD1 C 13 14.927 0.3 . 1 . . . . 44 ILE CD1 . 15793 1 66 . 1 1 44 44 ILE CG1 C 13 29.521 0.3 . 1 . . . . 44 ILE CG1 . 15793 1 67 . 1 1 44 44 ILE CG2 C 13 16.747 0.3 . 1 . . . . 44 ILE CG2 . 15793 1 68 . 1 1 44 44 ILE N N 15 120.991 0.3 . 1 . . . . 44 ILE N . 15793 1 69 . 1 1 45 45 TRP H H 1 9.154 0.020 . 1 . . . . 45 TRP H . 15793 1 70 . 1 1 45 45 TRP HA H 1 4.377 0.020 . 1 . . . . 45 TRP HA . 15793 1 71 . 1 1 45 45 TRP HB2 H 1 3.231 0.020 . 2 . . . . 45 TRP HB2 . 15793 1 72 . 1 1 45 45 TRP HB3 H 1 3.067 0.020 . 2 . . . . 45 TRP HB3 . 15793 1 73 . 1 1 45 45 TRP HD1 H 1 7.140 0.020 . 1 . . . . 45 TRP HD1 . 15793 1 74 . 1 1 45 45 TRP HE1 H 1 10.299 0.020 . 1 . . . . 45 TRP HE1 . 15793 1 75 . 1 1 45 45 TRP HE3 H 1 7.640 0.020 . 1 . . . . 45 TRP HE3 . 15793 1 76 . 1 1 45 45 TRP HZ2 H 1 7.070 0.020 . 1 . . . . 45 TRP HZ2 . 15793 1 77 . 1 1 45 45 TRP C C 13 179.154 0.3 . 1 . . . . 45 TRP C . 15793 1 78 . 1 1 45 45 TRP CA C 13 60.749 0.3 . 1 . . . . 45 TRP CA . 15793 1 79 . 1 1 45 45 TRP CB C 13 28.620 0.3 . 1 . . . . 45 TRP CB . 15793 1 80 . 1 1 45 45 TRP N N 15 119.877 0.3 . 1 . . . . 45 TRP N . 15793 1 81 . 1 1 45 45 TRP NE1 N 15 129.365 0.3 . 1 . . . . 45 TRP NE1 . 15793 1 82 . 1 1 46 46 SER H H 1 7.556 0.020 . 1 . . . . 46 SER H . 15793 1 83 . 1 1 46 46 SER HA H 1 4.247 0.020 . 1 . . . . 46 SER HA . 15793 1 84 . 1 1 46 46 SER HB2 H 1 3.973 0.020 . 1 . . . . 46 SER HB2 . 15793 1 85 . 1 1 46 46 SER HB3 H 1 3.973 0.020 . 1 . . . . 46 SER HB3 . 15793 1 86 . 1 1 46 46 SER C C 13 175.737 0.3 . 1 . . . . 46 SER C . 15793 1 87 . 1 1 46 46 SER CA C 13 61.315 0.3 . 1 . . . . 46 SER CA . 15793 1 88 . 1 1 46 46 SER CB C 13 63.510 0.3 . 1 . . . . 46 SER CB . 15793 1 89 . 1 1 46 46 SER N N 15 113.170 0.3 . 1 . . . . 46 SER N . 15793 1 90 . 1 1 47 47 LEU H H 1 7.667 0.020 . 1 . . . . 47 LEU H . 15793 1 91 . 1 1 47 47 LEU HA H 1 4.274 0.020 . 1 . . . . 47 LEU HA . 15793 1 92 . 1 1 47 47 LEU HB2 H 1 1.551 0.020 . 2 . . . . 47 LEU HB2 . 15793 1 93 . 1 1 47 47 LEU HB3 H 1 1.459 0.020 . 2 . . . . 47 LEU HB3 . 15793 1 94 . 1 1 47 47 LEU HD11 H 1 0.544 0.020 . 1 . . . . 47 LEU HD1 . 15793 1 95 . 1 1 47 47 LEU HD12 H 1 0.544 0.020 . 1 . . . . 47 LEU HD1 . 15793 1 96 . 1 1 47 47 LEU HD13 H 1 0.544 0.020 . 1 . . . . 47 LEU HD1 . 15793 1 97 . 1 1 47 47 LEU HD21 H 1 0.749 0.020 . 1 . . . . 47 LEU HD2 . 15793 1 98 . 1 1 47 47 LEU HD22 H 1 0.749 0.020 . 1 . . . . 47 LEU HD2 . 15793 1 99 . 1 1 47 47 LEU HD23 H 1 0.749 0.020 . 1 . . . . 47 LEU HD2 . 15793 1 100 . 1 1 47 47 LEU HG H 1 1.680 0.020 . 1 . . . . 47 LEU HG . 15793 1 101 . 1 1 47 47 LEU C C 13 178.987 0.3 . 1 . . . . 47 LEU C . 15793 1 102 . 1 1 47 47 LEU CA C 13 55.835 0.3 . 1 . . . . 47 LEU CA . 15793 1 103 . 1 1 47 47 LEU CB C 13 43.548 0.3 . 1 . . . . 47 LEU CB . 15793 1 104 . 1 1 47 47 LEU CD1 C 13 25.689 0.3 . 1 . . . . 47 LEU CD1 . 15793 1 105 . 1 1 47 47 LEU CD2 C 13 22.309 0.3 . 1 . . . . 47 LEU CD2 . 15793 1 106 . 1 1 47 47 LEU CG C 13 26.888 0.3 . 1 . . . . 47 LEU CG . 15793 1 107 . 1 1 47 47 LEU N N 15 120.838 0.3 . 1 . . . . 47 LEU N . 15793 1 108 . 1 1 48 48 GLY H H 1 8.656 0.020 . 1 . . . . 48 GLY H . 15793 1 109 . 1 1 48 48 GLY HA2 H 1 4.373 0.020 . 2 . . . . 48 GLY HA2 . 15793 1 110 . 1 1 48 48 GLY HA3 H 1 3.296 0.020 . 2 . . . . 48 GLY HA3 . 15793 1 111 . 1 1 48 48 GLY C C 13 173.625 0.3 . 1 . . . . 48 GLY C . 15793 1 112 . 1 1 48 48 GLY CA C 13 46.944 0.3 . 1 . . . . 48 GLY CA . 15793 1 113 . 1 1 48 48 GLY N N 15 113.217 0.3 . 1 . . . . 48 GLY N . 15793 1 114 . 1 1 49 49 GLU H H 1 7.347 0.020 . 1 . . . . 49 GLU H . 15793 1 115 . 1 1 49 49 GLU HA H 1 4.830 0.020 . 1 . . . . 49 GLU HA . 15793 1 116 . 1 1 49 49 GLU HB2 H 1 1.947 0.020 . 2 . . . . 49 GLU HB2 . 15793 1 117 . 1 1 49 49 GLU HB3 H 1 1.667 0.020 . 2 . . . . 49 GLU HB3 . 15793 1 118 . 1 1 49 49 GLU HG2 H 1 1.650 0.020 . 1 . . . . 49 GLU HG2 . 15793 1 119 . 1 1 49 49 GLU HG3 H 1 1.650 0.020 . 1 . . . . 49 GLU HG3 . 15793 1 120 . 1 1 49 49 GLU C C 13 174.973 0.3 . 1 . . . . 49 GLU C . 15793 1 121 . 1 1 49 49 GLU CA C 13 55.026 0.3 . 1 . . . . 49 GLU CA . 15793 1 122 . 1 1 49 49 GLU CB C 13 31.947 0.3 . 1 . . . . 49 GLU CB . 15793 1 123 . 1 1 49 49 GLU CG C 13 31.32 0.3 . 1 . . . . 49 GLU CG . 15793 1 124 . 1 1 49 49 GLU N N 15 116.219 0.3 . 1 . . . . 49 GLU N . 15793 1 125 . 1 1 50 50 ALA H H 1 8.598 0.020 . 1 . . . . 50 ALA H . 15793 1 126 . 1 1 50 50 ALA HA H 1 4.817 0.020 . 1 . . . . 50 ALA HA . 15793 1 127 . 1 1 50 50 ALA HB1 H 1 1.256 0.020 . 1 . . . . 50 ALA HB . 15793 1 128 . 1 1 50 50 ALA HB2 H 1 1.256 0.020 . 1 . . . . 50 ALA HB . 15793 1 129 . 1 1 50 50 ALA HB3 H 1 1.256 0.020 . 1 . . . . 50 ALA HB . 15793 1 130 . 1 1 50 50 ALA C C 13 176.042 0.3 . 1 . . . . 50 ALA C . 15793 1 131 . 1 1 50 50 ALA CA C 13 52.189 0.3 . 1 . . . . 50 ALA CA . 15793 1 132 . 1 1 50 50 ALA CB C 13 24.738 0.3 . 1 . . . . 50 ALA CB . 15793 1 133 . 1 1 50 50 ALA N N 15 122.121 0.3 . 1 . . . . 50 ALA N . 15793 1 134 . 1 1 51 51 ARG H H 1 8.935 0.020 . 1 . . . . 51 ARG H . 15793 1 135 . 1 1 51 51 ARG HA H 1 5.098 0.020 . 1 . . . . 51 ARG HA . 15793 1 136 . 1 1 51 51 ARG HB2 H 1 1.650 0.020 . 2 . . . . 51 ARG HB2 . 15793 1 137 . 1 1 51 51 ARG HB3 H 1 2.293 0.020 . 2 . . . . 51 ARG HB3 . 15793 1 138 . 1 1 51 51 ARG HD2 H 1 3.177 0.020 . 2 . . . . 51 ARG HD2 . 15793 1 139 . 1 1 51 51 ARG HD3 H 1 3.083 0.020 . 2 . . . . 51 ARG HD3 . 15793 1 140 . 1 1 51 51 ARG HG2 H 1 1.593 0.020 . 1 . . . . 51 ARG HG2 . 15793 1 141 . 1 1 51 51 ARG HG3 H 1 1.593 0.020 . 1 . . . . 51 ARG HG3 . 15793 1 142 . 1 1 51 51 ARG C C 13 178.696 0.3 . 1 . . . . 51 ARG C . 15793 1 143 . 1 1 51 51 ARG CA C 13 54.995 0.3 . 1 . . . . 51 ARG CA . 15793 1 144 . 1 1 51 51 ARG CB C 13 32.605 0.3 . 1 . . . . 51 ARG CB . 15793 1 145 . 1 1 51 51 ARG CD C 13 43.264 0.3 . 1 . . . . 51 ARG CD . 15793 1 146 . 1 1 51 51 ARG CG C 13 29.108 0.3 . 1 . . . . 51 ARG CG . 15793 1 147 . 1 1 51 51 ARG N N 15 121.019 0.3 . 1 . . . . 51 ARG N . 15793 1 148 . 1 1 52 52 VAL H H 1 9.767 0.020 . 1 . . . . 52 VAL H . 15793 1 149 . 1 1 52 52 VAL HA H 1 3.494 0.020 . 1 . . . . 52 VAL HA . 15793 1 150 . 1 1 52 52 VAL HB H 1 2.139 0.020 . 1 . . . . 52 VAL HB . 15793 1 151 . 1 1 52 52 VAL HG11 H 1 0.926 0.020 . 1 . . . . 52 VAL HG1 . 15793 1 152 . 1 1 52 52 VAL HG12 H 1 0.926 0.020 . 1 . . . . 52 VAL HG1 . 15793 1 153 . 1 1 52 52 VAL HG13 H 1 0.926 0.020 . 1 . . . . 52 VAL HG1 . 15793 1 154 . 1 1 52 52 VAL HG21 H 1 0.889 0.020 . 1 . . . . 52 VAL HG2 . 15793 1 155 . 1 1 52 52 VAL HG22 H 1 0.889 0.020 . 1 . . . . 52 VAL HG2 . 15793 1 156 . 1 1 52 52 VAL HG23 H 1 0.889 0.020 . 1 . . . . 52 VAL HG2 . 15793 1 157 . 1 1 52 52 VAL C C 13 176.292 0.3 . 1 . . . . 52 VAL C . 15793 1 158 . 1 1 52 52 VAL CA C 13 67.295 0.3 . 1 . . . . 52 VAL CA . 15793 1 159 . 1 1 52 52 VAL CB C 13 31.427 0.3 . 1 . . . . 52 VAL CB . 15793 1 160 . 1 1 52 52 VAL CG1 C 13 22.879 0.3 . 1 . . . . 52 VAL CG1 . 15793 1 161 . 1 1 52 52 VAL CG2 C 13 20.447 0.3 . 1 . . . . 52 VAL CG2 . 15793 1 162 . 1 1 52 52 VAL N N 15 121.483 0.3 . 1 . . . . 52 VAL N . 15793 1 163 . 1 1 53 53 ASP H H 1 8.640 0.020 . 1 . . . . 53 ASP H . 15793 1 164 . 1 1 53 53 ASP HA H 1 4.199 0.020 . 1 . . . . 53 ASP HA . 15793 1 165 . 1 1 53 53 ASP HB2 H 1 2.496 0.020 . 2 . . . . 53 ASP HB2 . 15793 1 166 . 1 1 53 53 ASP HB3 H 1 2.644 0.020 . 2 . . . . 53 ASP HB3 . 15793 1 167 . 1 1 53 53 ASP C C 13 178.904 0.3 . 1 . . . . 53 ASP C . 15793 1 168 . 1 1 53 53 ASP CA C 13 56.797 0.3 . 1 . . . . 53 ASP CA . 15793 1 169 . 1 1 53 53 ASP CB C 13 39.068 0.3 . 1 . . . . 53 ASP CB . 15793 1 170 . 1 1 53 53 ASP N N 15 116.987 0.3 . 1 . . . . 53 ASP N . 15793 1 171 . 1 1 54 54 GLU H H 1 7.028 0.020 . 1 . . . . 54 GLU H . 15793 1 172 . 1 1 54 54 GLU HA H 1 4.017 0.020 . 1 . . . . 54 GLU HA . 15793 1 173 . 1 1 54 54 GLU HB2 H 1 1.928 0.020 . 2 . . . . 54 GLU HB2 . 15793 1 174 . 1 1 54 54 GLU HB3 H 1 2.370 0.020 . 2 . . . . 54 GLU HB3 . 15793 1 175 . 1 1 54 54 GLU HG2 H 1 2.211 0.020 . 1 . . . . 54 GLU HG2 . 15793 1 176 . 1 1 54 54 GLU C C 13 178.696 0.3 . 1 . . . . 54 GLU C . 15793 1 177 . 1 1 54 54 GLU CA C 13 58.261 0.3 . 1 . . . . 54 GLU CA . 15793 1 178 . 1 1 54 54 GLU CB C 13 30.742 0.3 . 1 . . . . 54 GLU CB . 15793 1 179 . 1 1 54 54 GLU CG C 13 36.998 0.3 . 1 . . . . 54 GLU CG . 15793 1 180 . 1 1 54 54 GLU N N 15 119.862 0.3 . 1 . . . . 54 GLU N . 15793 1 181 . 1 1 55 55 ILE H H 1 7.639 0.020 . 1 . . . . 55 ILE H . 15793 1 182 . 1 1 55 55 ILE HA H 1 3.345 0.020 . 1 . . . . 55 ILE HA . 15793 1 183 . 1 1 55 55 ILE HB H 1 1.687 0.020 . 1 . . . . 55 ILE HB . 15793 1 184 . 1 1 55 55 ILE HD11 H 1 0.406 0.020 . 1 . . . . 55 ILE HD1 . 15793 1 185 . 1 1 55 55 ILE HD12 H 1 0.406 0.020 . 1 . . . . 55 ILE HD1 . 15793 1 186 . 1 1 55 55 ILE HD13 H 1 0.406 0.020 . 1 . . . . 55 ILE HD1 . 15793 1 187 . 1 1 55 55 ILE HG12 H 1 1.258 0.020 . 1 . . . . 55 ILE HG12 . 15793 1 188 . 1 1 55 55 ILE HG13 H 1 1.258 0.020 . 1 . . . . 55 ILE HG13 . 15793 1 189 . 1 1 55 55 ILE HG21 H 1 0.639 0.020 . 1 . . . . 55 ILE HG2 . 15793 1 190 . 1 1 55 55 ILE HG22 H 1 0.639 0.020 . 1 . . . . 55 ILE HG2 . 15793 1 191 . 1 1 55 55 ILE HG23 H 1 0.639 0.020 . 1 . . . . 55 ILE HG2 . 15793 1 192 . 1 1 55 55 ILE C C 13 177.945 0.3 . 1 . . . . 55 ILE C . 15793 1 193 . 1 1 55 55 ILE CA C 13 64.533 0.3 . 1 . . . . 55 ILE CA . 15793 1 194 . 1 1 55 55 ILE CB C 13 38.824 0.3 . 1 . . . . 55 ILE CB . 15793 1 195 . 1 1 55 55 ILE CD1 C 13 14.980 0.3 . 1 . . . . 55 ILE CD1 . 15793 1 196 . 1 1 55 55 ILE CG1 C 13 24.774 0.3 . 1 . . . . 55 ILE CG1 . 15793 1 197 . 1 1 55 55 ILE CG2 C 13 16.734 0.3 . 1 . . . . 55 ILE CG2 . 15793 1 198 . 1 1 55 55 ILE N N 15 118.743 0.3 . 1 . . . . 55 ILE N . 15793 1 199 . 1 1 56 56 TYR H H 1 8.548 0.020 . 1 . . . . 56 TYR H . 15793 1 200 . 1 1 56 56 TYR HA H 1 4.028 0.020 . 1 . . . . 56 TYR HA . 15793 1 201 . 1 1 56 56 TYR HB2 H 1 2.908 0.020 . 2 . . . . 56 TYR HB2 . 15793 1 202 . 1 1 56 56 TYR HB3 H 1 2.874 0.020 . 2 . . . . 56 TYR HB3 . 15793 1 203 . 1 1 56 56 TYR HD1 H 1 6.960 0.020 . 1 . . . . 56 TYR HD1 . 15793 1 204 . 1 1 56 56 TYR HD2 H 1 6.960 0.020 . 1 . . . . 56 TYR HD2 . 15793 1 205 . 1 1 56 56 TYR HE1 H 1 6.630 0.020 . 1 . . . . 56 TYR HE1 . 15793 1 206 . 1 1 56 56 TYR HE2 H 1 6.630 0.020 . 1 . . . . 56 TYR HE2 . 15793 1 207 . 1 1 56 56 TYR C C 13 177.279 0.3 . 1 . . . . 56 TYR C . 15793 1 208 . 1 1 56 56 TYR CA C 13 61.046 0.3 . 1 . . . . 56 TYR CA . 15793 1 209 . 1 1 56 56 TYR CB C 13 38.746 0.3 . 1 . . . . 56 TYR CB . 15793 1 210 . 1 1 56 56 TYR N N 15 117.394 0.3 . 1 . . . . 56 TYR N . 15793 1 211 . 1 1 57 57 ALA H H 1 7.305 0.020 . 1 . . . . 57 ALA H . 15793 1 212 . 1 1 57 57 ALA HA H 1 3.891 0.020 . 1 . . . . 57 ALA HA . 15793 1 213 . 1 1 57 57 ALA HB1 H 1 1.387 0.020 . 1 . . . . 57 ALA HB . 15793 1 214 . 1 1 57 57 ALA HB2 H 1 1.387 0.020 . 1 . . . . 57 ALA HB . 15793 1 215 . 1 1 57 57 ALA HB3 H 1 1.387 0.020 . 1 . . . . 57 ALA HB . 15793 1 216 . 1 1 57 57 ALA C C 13 178.515 0.3 . 1 . . . . 57 ALA C . 15793 1 217 . 1 1 57 57 ALA CA C 13 53.867 0.3 . 1 . . . . 57 ALA CA . 15793 1 218 . 1 1 57 57 ALA CB C 13 18.567 0.3 . 1 . . . . 57 ALA CB . 15793 1 219 . 1 1 57 57 ALA N N 15 116.845 0.3 . 1 . . . . 57 ALA N . 15793 1 220 . 1 1 58 58 GLN H H 1 7.182 0.020 . 1 . . . . 58 GLN H . 15793 1 221 . 1 1 58 58 GLN HA H 1 4.182 0.020 . 1 . . . . 58 GLN HA . 15793 1 222 . 1 1 58 58 GLN HB2 H 1 1.770 0.020 . 2 . . . . 58 GLN HB2 . 15793 1 223 . 1 1 58 58 GLN HB3 H 1 2.261 0.020 . 2 . . . . 58 GLN HB3 . 15793 1 224 . 1 1 58 58 GLN HE21 H 1 7.519 0.020 . 1 . . . . 58 GLN HE21 . 15793 1 225 . 1 1 58 58 GLN HE22 H 1 6.671 0.020 . 1 . . . . 58 GLN HE22 . 15793 1 226 . 1 1 58 58 GLN HG2 H 1 2.373 0.020 . 1 . . . . 58 GLN HG2 . 15793 1 227 . 1 1 58 58 GLN HG3 H 1 2.373 0.020 . 1 . . . . 58 GLN HG3 . 15793 1 228 . 1 1 58 58 GLN C C 13 176.015 0.3 . 1 . . . . 58 GLN C . 15793 1 229 . 1 1 58 58 GLN CA C 13 54.679 0.3 . 1 . . . . 58 GLN CA . 15793 1 230 . 1 1 58 58 GLN CB C 13 29.584 0.3 . 1 . . . . 58 GLN CB . 15793 1 231 . 1 1 58 58 GLN CG C 13 32.830 0.3 . 1 . . . . 58 GLN CG . 15793 1 232 . 1 1 58 58 GLN N N 15 113.228 0.3 . 1 . . . . 58 GLN N . 15793 1 233 . 1 1 58 58 GLN NE2 N 15 112.312 0.3 . 1 . . . . 58 GLN NE2 . 15793 1 234 . 1 1 59 59 ILE H H 1 7.051 0.020 . 1 . . . . 59 ILE H . 15793 1 235 . 1 1 59 59 ILE HA H 1 3.829 0.020 . 1 . . . . 59 ILE HA . 15793 1 236 . 1 1 59 59 ILE HB H 1 1.762 0.020 . 1 . . . . 59 ILE HB . 15793 1 237 . 1 1 59 59 ILE HD11 H 1 0.602 0.020 . 1 . . . . 59 ILE HD1 . 15793 1 238 . 1 1 59 59 ILE HD12 H 1 0.602 0.020 . 1 . . . . 59 ILE HD1 . 15793 1 239 . 1 1 59 59 ILE HD13 H 1 0.602 0.020 . 1 . . . . 59 ILE HD1 . 15793 1 240 . 1 1 59 59 ILE HG12 H 1 1.274 0.020 . 2 . . . . 59 ILE HG12 . 15793 1 241 . 1 1 59 59 ILE HG13 H 1 1.748 0.020 . 2 . . . . 59 ILE HG13 . 15793 1 242 . 1 1 59 59 ILE HG21 H 1 0.479 0.020 . 1 . . . . 59 ILE HG2 . 15793 1 243 . 1 1 59 59 ILE HG22 H 1 0.479 0.020 . 1 . . . . 59 ILE HG2 . 15793 1 244 . 1 1 59 59 ILE HG23 H 1 0.479 0.020 . 1 . . . . 59 ILE HG2 . 15793 1 245 . 1 1 59 59 ILE CA C 13 57.557 0.3 . 1 . . . . 59 ILE CA . 15793 1 246 . 1 1 59 59 ILE CB C 13 36.090 0.3 . 1 . . . . 59 ILE CB . 15793 1 247 . 1 1 59 59 ILE CD1 C 13 10.969 0.3 . 1 . . . . 59 ILE CD1 . 15793 1 248 . 1 1 59 59 ILE CG1 C 13 26.669 0.3 . 1 . . . . 59 ILE CG1 . 15793 1 249 . 1 1 59 59 ILE CG2 C 13 17.298 0.3 . 1 . . . . 59 ILE CG2 . 15793 1 250 . 1 1 59 59 ILE N N 15 121.926 0.3 . 1 . . . . 59 ILE N . 15793 1 251 . 1 1 60 60 PRO HA H 1 4.049 0.020 . 1 . . . . 60 PRO HA . 15793 1 252 . 1 1 60 60 PRO HB2 H 1 2.139 0.020 . 2 . . . . 60 PRO HB2 . 15793 1 253 . 1 1 60 60 PRO HB3 H 1 1.758 0.020 . 2 . . . . 60 PRO HB3 . 15793 1 254 . 1 1 60 60 PRO HD2 H 1 3.697 0.020 . 2 . . . . 60 PRO HD2 . 15793 1 255 . 1 1 60 60 PRO HD3 H 1 3.487 0.020 . 2 . . . . 60 PRO HD3 . 15793 1 256 . 1 1 60 60 PRO HG2 H 1 1.875 0.020 . 2 . . . . 60 PRO HG2 . 15793 1 257 . 1 1 60 60 PRO HG3 H 1 1.811 0.020 . 2 . . . . 60 PRO HG3 . 15793 1 258 . 1 1 60 60 PRO CA C 13 63.775 0.3 . 1 . . . . 60 PRO CA . 15793 1 259 . 1 1 60 60 PRO CB C 13 32.050 0.3 . 1 . . . . 60 PRO CB . 15793 1 260 . 1 1 60 60 PRO CD C 13 51.114 0.3 . 1 . . . . 60 PRO CD . 15793 1 261 . 1 1 60 60 PRO CG C 13 27.238 0.3 . 1 . . . . 60 PRO CG . 15793 1 262 . 1 1 61 61 GLN H H 1 8.772 0.020 . 1 . . . . 61 GLN H . 15793 1 263 . 1 1 61 61 GLN HA H 1 3.772 0.020 . 1 . . . . 61 GLN HA . 15793 1 264 . 1 1 61 61 GLN HB2 H 1 1.902 0.020 . 1 . . . . 61 GLN HB2 . 15793 1 265 . 1 1 61 61 GLN HB3 H 1 1.902 0.020 . 1 . . . . 61 GLN HB3 . 15793 1 266 . 1 1 61 61 GLN HE21 H 1 7.423 0.020 . 1 . . . . 61 GLN HE21 . 15793 1 267 . 1 1 61 61 GLN HE22 H 1 6.687 0.020 . 1 . . . . 61 GLN HE22 . 15793 1 268 . 1 1 61 61 GLN HG2 H 1 2.277 0.020 . 1 . . . . 61 GLN HG2 . 15793 1 269 . 1 1 61 61 GLN HG3 H 1 2.277 0.020 . 1 . . . . 61 GLN HG3 . 15793 1 270 . 1 1 61 61 GLN C C 13 178.654 0.3 . 1 . . . . 61 GLN C . 15793 1 271 . 1 1 61 61 GLN CA C 13 58.761 0.3 . 1 . . . . 61 GLN CA . 15793 1 272 . 1 1 61 61 GLN CB C 13 28.318 0.3 . 1 . . . . 61 GLN CB . 15793 1 273 . 1 1 61 61 GLN CG C 13 33.929 0.3 . 1 . . . . 61 GLN CG . 15793 1 274 . 1 1 61 61 GLN N N 15 126.284 0.3 . 1 . . . . 61 GLN N . 15793 1 275 . 1 1 61 61 GLN NE2 N 15 112.666 0.3 . 1 . . . . 61 GLN NE2 . 15793 1 276 . 1 1 62 62 GLU H H 1 9.471 0.020 . 1 . . . . 62 GLU H . 15793 1 277 . 1 1 62 62 GLU HA H 1 3.971 0.020 . 1 . . . . 62 GLU HA . 15793 1 278 . 1 1 62 62 GLU HB2 H 1 1.821 0.020 . 1 . . . . 62 GLU HB2 . 15793 1 279 . 1 1 62 62 GLU HB3 H 1 1.821 0.020 . 1 . . . . 62 GLU HB3 . 15793 1 280 . 1 1 62 62 GLU HG2 H 1 1.895 0.020 . 2 . . . . 62 GLU HG2 . 15793 1 281 . 1 1 62 62 GLU HG3 H 1 1.737 0.020 . 2 . . . . 62 GLU HG3 . 15793 1 282 . 1 1 62 62 GLU C C 13 177.376 0.3 . 1 . . . . 62 GLU C . 15793 1 283 . 1 1 62 62 GLU CA C 13 58.072 0.3 . 1 . . . . 62 GLU CA . 15793 1 284 . 1 1 62 62 GLU CB C 13 28.164 0.3 . 1 . . . . 62 GLU CB . 15793 1 285 . 1 1 62 62 GLU CG C 13 31.139 0.3 . 1 . . . . 62 GLU CG . 15793 1 286 . 1 1 62 62 GLU N N 15 118.102 0.3 . 1 . . . . 62 GLU N . 15793 1 287 . 1 1 63 63 LEU H H 1 6.792 0.020 . 1 . . . . 63 LEU H . 15793 1 288 . 1 1 63 63 LEU HA H 1 3.717 0.020 . 1 . . . . 63 LEU HA . 15793 1 289 . 1 1 63 63 LEU HB2 H 1 0.722 0.020 . 2 . . . . 63 LEU HB2 . 15793 1 290 . 1 1 63 63 LEU HB3 H 1 0.030 0.020 . 2 . . . . 63 LEU HB3 . 15793 1 291 . 1 1 63 63 LEU HD11 H 1 -0.259 0.020 . 1 . . . . 63 LEU HD1 . 15793 1 292 . 1 1 63 63 LEU HD12 H 1 -0.259 0.020 . 1 . . . . 63 LEU HD1 . 15793 1 293 . 1 1 63 63 LEU HD13 H 1 -0.259 0.020 . 1 . . . . 63 LEU HD1 . 15793 1 294 . 1 1 63 63 LEU HD21 H 1 0.356 0.020 . 1 . . . . 63 LEU HD2 . 15793 1 295 . 1 1 63 63 LEU HD22 H 1 0.356 0.020 . 1 . . . . 63 LEU HD2 . 15793 1 296 . 1 1 63 63 LEU HD23 H 1 0.356 0.020 . 1 . . . . 63 LEU HD2 . 15793 1 297 . 1 1 63 63 LEU HG H 1 0.933 0.020 . 1 . . . . 63 LEU HG . 15793 1 298 . 1 1 63 63 LEU C C 13 176.570 0.3 . 1 . . . . 63 LEU C . 15793 1 299 . 1 1 63 63 LEU CA C 13 56.173 0.3 . 1 . . . . 63 LEU CA . 15793 1 300 . 1 1 63 63 LEU CB C 13 39.610 0.3 . 1 . . . . 63 LEU CB . 15793 1 301 . 1 1 63 63 LEU CD1 C 13 24.302 0.3 . 1 . . . . 63 LEU CD1 . 15793 1 302 . 1 1 63 63 LEU CD2 C 13 21.543 0.3 . 1 . . . . 63 LEU CD2 . 15793 1 303 . 1 1 63 63 LEU CG C 13 26.622 0.3 . 1 . . . . 63 LEU CG . 15793 1 304 . 1 1 63 63 LEU N N 15 118.573 0.3 . 1 . . . . 63 LEU N . 15793 1 305 . 1 1 64 64 GLU H H 1 7.589 0.020 . 1 . . . . 64 GLU H . 15793 1 306 . 1 1 64 64 GLU HA H 1 3.782 0.020 . 1 . . . . 64 GLU HA . 15793 1 307 . 1 1 64 64 GLU HB2 H 1 2.055 0.020 . 1 . . . . 64 GLU HB2 . 15793 1 308 . 1 1 64 64 GLU HB3 H 1 2.055 0.020 . 1 . . . . 64 GLU HB3 . 15793 1 309 . 1 1 64 64 GLU HG2 H 1 2.013 0.020 . 2 . . . . 64 GLU HG2 . 15793 1 310 . 1 1 64 64 GLU HG3 H 1 2.055 0.020 . 2 . . . . 64 GLU HG3 . 15793 1 311 . 1 1 64 64 GLU C C 13 176.723 0.3 . 1 . . . . 64 GLU C . 15793 1 312 . 1 1 64 64 GLU CA C 13 57.031 0.3 . 1 . . . . 64 GLU CA . 15793 1 313 . 1 1 64 64 GLU CB C 13 26.951 0.3 . 1 . . . . 64 GLU CB . 15793 1 314 . 1 1 64 64 GLU CG C 13 36.460 0.3 . 1 . . . . 64 GLU CG . 15793 1 315 . 1 1 64 64 GLU N N 15 112.960 0.3 . 1 . . . . 64 GLU N . 15793 1 316 . 1 1 65 65 TRP H H 1 8.340 0.020 . 1 . . . . 65 TRP H . 15793 1 317 . 1 1 65 65 TRP HA H 1 5.097 0.020 . 1 . . . . 65 TRP HA . 15793 1 318 . 1 1 65 65 TRP HB2 H 1 3.061 0.020 . 1 . . . . 65 TRP HB2 . 15793 1 319 . 1 1 65 65 TRP HB3 H 1 3.061 0.020 . 1 . . . . 65 TRP HB3 . 15793 1 320 . 1 1 65 65 TRP HD1 H 1 6.863 0.020 . 1 . . . . 65 TRP HD1 . 15793 1 321 . 1 1 65 65 TRP HE1 H 1 9.896 0.020 . 1 . . . . 65 TRP HE1 . 15793 1 322 . 1 1 65 65 TRP HZ2 H 1 7.190 0.020 . 1 . . . . 65 TRP HZ2 . 15793 1 323 . 1 1 65 65 TRP CA C 13 54.697 0.3 . 1 . . . . 65 TRP CA . 15793 1 324 . 1 1 65 65 TRP CB C 13 30.450 0.3 . 1 . . . . 65 TRP CB . 15793 1 325 . 1 1 65 65 TRP N N 15 119.866 0.3 . 1 . . . . 65 TRP N . 15793 1 326 . 1 1 65 65 TRP NE1 N 15 126.441 0.3 . 1 . . . . 65 TRP NE1 . 15793 1 327 . 1 1 66 66 SER HA H 1 4.700 0.020 . 1 . . . . 66 SER HA . 15793 1 328 . 1 1 66 66 SER HB2 H 1 4.246 0.020 . 2 . . . . 66 SER HB2 . 15793 1 329 . 1 1 66 66 SER HB3 H 1 3.959 0.020 . 2 . . . . 66 SER HB3 . 15793 1 330 . 1 1 66 66 SER CA C 13 56.340 0.3 . 1 . . . . 66 SER CA . 15793 1 331 . 1 1 66 66 SER CB C 13 66.184 0.3 . 1 . . . . 66 SER CB . 15793 1 332 . 1 1 67 67 LEU H H 1 8.622 0.020 . 1 . . . . 67 LEU H . 15793 1 333 . 1 1 67 67 LEU HA H 1 3.357 0.020 . 1 . . . . 67 LEU HA . 15793 1 334 . 1 1 67 67 LEU HB2 H 1 1.335 0.020 . 2 . . . . 67 LEU HB2 . 15793 1 335 . 1 1 67 67 LEU HB3 H 1 0.846 0.020 . 2 . . . . 67 LEU HB3 . 15793 1 336 . 1 1 67 67 LEU HD11 H 1 0.551 0.020 . 1 . . . . 67 LEU HD1 . 15793 1 337 . 1 1 67 67 LEU HD12 H 1 0.551 0.020 . 1 . . . . 67 LEU HD1 . 15793 1 338 . 1 1 67 67 LEU HD13 H 1 0.551 0.020 . 1 . . . . 67 LEU HD1 . 15793 1 339 . 1 1 67 67 LEU HD21 H 1 0.455 0.020 . 1 . . . . 67 LEU HD2 . 15793 1 340 . 1 1 67 67 LEU HD22 H 1 0.455 0.020 . 1 . . . . 67 LEU HD2 . 15793 1 341 . 1 1 67 67 LEU HD23 H 1 0.455 0.020 . 1 . . . . 67 LEU HD2 . 15793 1 342 . 1 1 67 67 LEU HG H 1 1.021 0.020 . 1 . . . . 67 LEU HG . 15793 1 343 . 1 1 67 67 LEU C C 13 178.779 0.3 . 1 . . . . 67 LEU C . 15793 1 344 . 1 1 67 67 LEU CA C 13 58.385 0.3 . 1 . . . . 67 LEU CA . 15793 1 345 . 1 1 67 67 LEU CB C 13 41.218 0.3 . 1 . . . . 67 LEU CB . 15793 1 346 . 1 1 67 67 LEU CD1 C 13 25.065 0.3 . 1 . . . . 67 LEU CD1 . 15793 1 347 . 1 1 67 67 LEU CD2 C 13 23.353 0.3 . 1 . . . . 67 LEU CD2 . 15793 1 348 . 1 1 67 67 LEU CG C 13 26.539 0.3 . 1 . . . . 67 LEU CG . 15793 1 349 . 1 1 67 67 LEU N N 15 123.216 0.3 . 1 . . . . 67 LEU N . 15793 1 350 . 1 1 68 68 ALA H H 1 7.987 0.020 . 1 . . . . 68 ALA H . 15793 1 351 . 1 1 68 68 ALA HA H 1 3.766 0.020 . 1 . . . . 68 ALA HA . 15793 1 352 . 1 1 68 68 ALA HB1 H 1 1.214 0.020 . 1 . . . . 68 ALA HB . 15793 1 353 . 1 1 68 68 ALA HB2 H 1 1.214 0.020 . 1 . . . . 68 ALA HB . 15793 1 354 . 1 1 68 68 ALA HB3 H 1 1.214 0.020 . 1 . . . . 68 ALA HB . 15793 1 355 . 1 1 68 68 ALA C C 13 180.626 0.3 . 1 . . . . 68 ALA C . 15793 1 356 . 1 1 68 68 ALA CA C 13 55.431 0.3 . 1 . . . . 68 ALA CA . 15793 1 357 . 1 1 68 68 ALA CB C 13 17.780 0.3 . 1 . . . . 68 ALA CB . 15793 1 358 . 1 1 68 68 ALA N N 15 119.912 0.3 . 1 . . . . 68 ALA N . 15793 1 359 . 1 1 69 69 THR H H 1 7.781 0.020 . 1 . . . . 69 THR H . 15793 1 360 . 1 1 69 69 THR HA H 1 3.477 0.020 . 1 . . . . 69 THR HA . 15793 1 361 . 1 1 69 69 THR HB H 1 4.098 0.020 . 1 . . . . 69 THR HB . 15793 1 362 . 1 1 69 69 THR HG21 H 1 0.146 0.020 . 1 . . . . 69 THR HG2 . 15793 1 363 . 1 1 69 69 THR HG22 H 1 0.146 0.020 . 1 . . . . 69 THR HG2 . 15793 1 364 . 1 1 69 69 THR HG23 H 1 0.146 0.020 . 1 . . . . 69 THR HG2 . 15793 1 365 . 1 1 69 69 THR C C 13 176.154 0.3 . 1 . . . . 69 THR C . 15793 1 366 . 1 1 69 69 THR CA C 13 66.975 0.3 . 1 . . . . 69 THR CA . 15793 1 367 . 1 1 69 69 THR CB C 13 68.525 0.3 . 1 . . . . 69 THR CB . 15793 1 368 . 1 1 69 69 THR CG2 C 13 20.413 0.3 . 1 . . . . 69 THR CG2 . 15793 1 369 . 1 1 69 69 THR N N 15 118.256 0.3 . 1 . . . . 69 THR N . 15793 1 370 . 1 1 70 70 VAL H H 1 7.373 0.020 . 1 . . . . 70 VAL H . 15793 1 371 . 1 1 70 70 VAL HA H 1 3.201 0.020 . 1 . . . . 70 VAL HA . 15793 1 372 . 1 1 70 70 VAL HB H 1 2.177 0.020 . 1 . . . . 70 VAL HB . 15793 1 373 . 1 1 70 70 VAL HG11 H 1 1.264 0.020 . 1 . . . . 70 VAL HG1 . 15793 1 374 . 1 1 70 70 VAL HG12 H 1 1.264 0.020 . 1 . . . . 70 VAL HG1 . 15793 1 375 . 1 1 70 70 VAL HG13 H 1 1.264 0.020 . 1 . . . . 70 VAL HG1 . 15793 1 376 . 1 1 70 70 VAL HG21 H 1 0.764 0.020 . 1 . . . . 70 VAL HG2 . 15793 1 377 . 1 1 70 70 VAL HG22 H 1 0.764 0.020 . 1 . . . . 70 VAL HG2 . 15793 1 378 . 1 1 70 70 VAL HG23 H 1 0.764 0.020 . 1 . . . . 70 VAL HG2 . 15793 1 379 . 1 1 70 70 VAL C C 13 177.265 0.3 . 1 . . . . 70 VAL C . 15793 1 380 . 1 1 70 70 VAL CA C 13 67.795 0.3 . 1 . . . . 70 VAL CA . 15793 1 381 . 1 1 70 70 VAL CB C 13 31.342 0.3 . 1 . . . . 70 VAL CB . 15793 1 382 . 1 1 70 70 VAL CG1 C 13 24.741 0.3 . 1 . . . . 70 VAL CG1 . 15793 1 383 . 1 1 70 70 VAL CG2 C 13 21.234 0.3 . 1 . . . . 70 VAL CG2 . 15793 1 384 . 1 1 70 70 VAL N N 15 120.502 0.3 . 1 . . . . 70 VAL N . 15793 1 385 . 1 1 71 71 LYS H H 1 8.521 0.020 . 1 . . . . 71 LYS H . 15793 1 386 . 1 1 71 71 LYS HA H 1 3.659 0.020 . 1 . . . . 71 LYS HA . 15793 1 387 . 1 1 71 71 LYS HB2 H 1 1.724 0.020 . 1 . . . . 71 LYS HB2 . 15793 1 388 . 1 1 71 71 LYS HB3 H 1 1.724 0.020 . 1 . . . . 71 LYS HB3 . 15793 1 389 . 1 1 71 71 LYS HD2 H 1 1.495 0.020 . 1 . . . . 71 LYS HD2 . 15793 1 390 . 1 1 71 71 LYS HD3 H 1 1.495 0.020 . 1 . . . . 71 LYS HD3 . 15793 1 391 . 1 1 71 71 LYS HE2 H 1 2.638 0.020 . 2 . . . . 71 LYS HE2 . 15793 1 392 . 1 1 71 71 LYS HE3 H 1 2.822 0.020 . 2 . . . . 71 LYS HE3 . 15793 1 393 . 1 1 71 71 LYS HG2 H 1 1.414 0.020 . 2 . . . . 71 LYS HG2 . 15793 1 394 . 1 1 71 71 LYS HG3 H 1 1.240 0.020 . 2 . . . . 71 LYS HG3 . 15793 1 395 . 1 1 71 71 LYS C C 13 180.154 0.3 . 1 . . . . 71 LYS C . 15793 1 396 . 1 1 71 71 LYS CA C 13 61.155 0.3 . 1 . . . . 71 LYS CA . 15793 1 397 . 1 1 71 71 LYS CB C 13 32.114 0.3 . 1 . . . . 71 LYS CB . 15793 1 398 . 1 1 71 71 LYS CD C 13 29.519 0.3 . 1 . . . . 71 LYS CD . 15793 1 399 . 1 1 71 71 LYS CE C 13 41.548 0.3 . 1 . . . . 71 LYS CE . 15793 1 400 . 1 1 71 71 LYS CG C 13 25.886 0.3 . 1 . . . . 71 LYS CG . 15793 1 401 . 1 1 71 71 LYS N N 15 118.966 0.3 . 1 . . . . 71 LYS N . 15793 1 402 . 1 1 72 72 THR H H 1 8.160 0.020 . 1 . . . . 72 THR H . 15793 1 403 . 1 1 72 72 THR HA H 1 3.747 0.020 . 1 . . . . 72 THR HA . 15793 1 404 . 1 1 72 72 THR HB H 1 4.104 0.020 . 1 . . . . 72 THR HB . 15793 1 405 . 1 1 72 72 THR HG21 H 1 0.962 0.020 . 1 . . . . 72 THR HG2 . 15793 1 406 . 1 1 72 72 THR HG22 H 1 0.962 0.020 . 1 . . . . 72 THR HG2 . 15793 1 407 . 1 1 72 72 THR HG23 H 1 0.962 0.020 . 1 . . . . 72 THR HG2 . 15793 1 408 . 1 1 72 72 THR C C 13 177.209 0.3 . 1 . . . . 72 THR C . 15793 1 409 . 1 1 72 72 THR CA C 13 66.978 0.3 . 1 . . . . 72 THR CA . 15793 1 410 . 1 1 72 72 THR CB C 13 68.268 0.3 . 1 . . . . 72 THR CB . 15793 1 411 . 1 1 72 72 THR CG2 C 13 21.242 0.3 . 1 . . . . 72 THR CG2 . 15793 1 412 . 1 1 72 72 THR N N 15 119.017 0.3 . 1 . . . . 72 THR N . 15793 1 413 . 1 1 73 73 LEU H H 1 7.753 0.020 . 1 . . . . 73 LEU H . 15793 1 414 . 1 1 73 73 LEU HA H 1 3.682 0.020 . 1 . . . . 73 LEU HA . 15793 1 415 . 1 1 73 73 LEU HB2 H 1 1.779 0.020 . 1 . . . . 73 LEU HB2 . 15793 1 416 . 1 1 73 73 LEU HB3 H 1 1.779 0.020 . 1 . . . . 73 LEU HB3 . 15793 1 417 . 1 1 73 73 LEU HD11 H 1 -0.056 0.020 . 1 . . . . 73 LEU HD1 . 15793 1 418 . 1 1 73 73 LEU HD12 H 1 -0.056 0.020 . 1 . . . . 73 LEU HD1 . 15793 1 419 . 1 1 73 73 LEU HD13 H 1 -0.056 0.020 . 1 . . . . 73 LEU HD1 . 15793 1 420 . 1 1 73 73 LEU HD21 H 1 0.442 0.020 . 1 . . . . 73 LEU HD2 . 15793 1 421 . 1 1 73 73 LEU HD22 H 1 0.442 0.020 . 1 . . . . 73 LEU HD2 . 15793 1 422 . 1 1 73 73 LEU HD23 H 1 0.442 0.020 . 1 . . . . 73 LEU HD2 . 15793 1 423 . 1 1 73 73 LEU HG H 1 0.025 0.020 . 1 . . . . 73 LEU HG . 15793 1 424 . 1 1 73 73 LEU C C 13 178.821 0.3 . 1 . . . . 73 LEU C . 15793 1 425 . 1 1 73 73 LEU CA C 13 58.671 0.3 . 1 . . . . 73 LEU CA . 15793 1 426 . 1 1 73 73 LEU CB C 13 42.182 0.3 . 1 . . . . 73 LEU CB . 15793 1 427 . 1 1 73 73 LEU CD1 C 13 27.044 0.3 . 1 . . . . 73 LEU CD1 . 15793 1 428 . 1 1 73 73 LEU CD2 C 13 23.157 0.3 . 1 . . . . 73 LEU CD2 . 15793 1 429 . 1 1 73 73 LEU CG C 13 27.004 0.3 . 1 . . . . 73 LEU CG . 15793 1 430 . 1 1 73 73 LEU N N 15 123.340 0.3 . 1 . . . . 73 LEU N . 15793 1 431 . 1 1 74 74 LEU H H 1 8.341 0.020 . 1 . . . . 74 LEU H . 15793 1 432 . 1 1 74 74 LEU HA H 1 3.551 0.020 . 1 . . . . 74 LEU HA . 15793 1 433 . 1 1 74 74 LEU HB2 H 1 1.560 0.020 . 2 . . . . 74 LEU HB2 . 15793 1 434 . 1 1 74 74 LEU HB3 H 1 1.500 0.020 . 2 . . . . 74 LEU HB3 . 15793 1 435 . 1 1 74 74 LEU HD11 H 1 0.158 0.020 . 1 . . . . 74 LEU HD1 . 15793 1 436 . 1 1 74 74 LEU HD12 H 1 0.158 0.020 . 1 . . . . 74 LEU HD1 . 15793 1 437 . 1 1 74 74 LEU HD13 H 1 0.158 0.020 . 1 . . . . 74 LEU HD1 . 15793 1 438 . 1 1 74 74 LEU HD21 H 1 -0.140 0.020 . 1 . . . . 74 LEU HD2 . 15793 1 439 . 1 1 74 74 LEU HD22 H 1 -0.140 0.020 . 1 . . . . 74 LEU HD2 . 15793 1 440 . 1 1 74 74 LEU HD23 H 1 -0.140 0.020 . 1 . . . . 74 LEU HD2 . 15793 1 441 . 1 1 74 74 LEU HG H 1 1.360 0.020 . 1 . . . . 74 LEU HG . 15793 1 442 . 1 1 74 74 LEU C C 13 178.832 0.3 . 1 . . . . 74 LEU C . 15793 1 443 . 1 1 74 74 LEU CA C 13 58.293 0.3 . 1 . . . . 74 LEU CA . 15793 1 444 . 1 1 74 74 LEU CB C 13 40.530 0.3 . 1 . . . . 74 LEU CB . 15793 1 445 . 1 1 74 74 LEU CD1 C 13 26.057 0.3 . 1 . . . . 74 LEU CD1 . 15793 1 446 . 1 1 74 74 LEU CD2 C 13 22.961 0.3 . 1 . . . . 74 LEU CD2 . 15793 1 447 . 1 1 74 74 LEU CG C 13 25.998 0.3 . 1 . . . . 74 LEU CG . 15793 1 448 . 1 1 74 74 LEU N N 15 118.538 0.3 . 1 . . . . 74 LEU N . 15793 1 449 . 1 1 75 75 GLY H H 1 7.780 0.020 . 1 . . . . 75 GLY H . 15793 1 450 . 1 1 75 75 GLY HA2 H 1 3.648 0.020 . 2 . . . . 75 GLY HA2 . 15793 1 451 . 1 1 75 75 GLY HA3 H 1 3.767 0.020 . 2 . . . . 75 GLY HA3 . 15793 1 452 . 1 1 75 75 GLY C C 13 177.626 0.3 . 1 . . . . 75 GLY C . 15793 1 453 . 1 1 75 75 GLY CA C 13 47.290 0.3 . 1 . . . . 75 GLY CA . 15793 1 454 . 1 1 75 75 GLY N N 15 103.878 0.3 . 1 . . . . 75 GLY N . 15793 1 455 . 1 1 76 76 ARG H H 1 7.637 0.020 . 1 . . . . 76 ARG H . 15793 1 456 . 1 1 76 76 ARG HA H 1 3.908 0.020 . 1 . . . . 76 ARG HA . 15793 1 457 . 1 1 76 76 ARG HB2 H 1 1.926 0.020 . 2 . . . . 76 ARG HB2 . 15793 1 458 . 1 1 76 76 ARG HB3 H 1 1.885 0.020 . 2 . . . . 76 ARG HB3 . 15793 1 459 . 1 1 76 76 ARG HD2 H 1 2.972 0.020 . 2 . . . . 76 ARG HD2 . 15793 1 460 . 1 1 76 76 ARG HD3 H 1 3.004 0.020 . 2 . . . . 76 ARG HD3 . 15793 1 461 . 1 1 76 76 ARG HG2 H 1 1.566 0.020 . 2 . . . . 76 ARG HG2 . 15793 1 462 . 1 1 76 76 ARG HG3 H 1 1.708 0.020 . 2 . . . . 76 ARG HG3 . 15793 1 463 . 1 1 76 76 ARG C C 13 179.001 0.3 . 1 . . . . 76 ARG C . 15793 1 464 . 1 1 76 76 ARG CA C 13 59.378 0.3 . 1 . . . . 76 ARG CA . 15793 1 465 . 1 1 76 76 ARG CB C 13 30.767 0.3 . 1 . . . . 76 ARG CB . 15793 1 466 . 1 1 76 76 ARG CD C 13 43.956 0.3 . 1 . . . . 76 ARG CD . 15793 1 467 . 1 1 76 76 ARG CG C 13 27.029 0.3 . 1 . . . . 76 ARG CG . 15793 1 468 . 1 1 76 76 ARG N N 15 122.469 0.3 . 1 . . . . 76 ARG N . 15793 1 469 . 1 1 77 77 LEU H H 1 7.922 0.020 . 1 . . . . 77 LEU H . 15793 1 470 . 1 1 77 77 LEU HA H 1 3.812 0.020 . 1 . . . . 77 LEU HA . 15793 1 471 . 1 1 77 77 LEU HB2 H 1 1.476 0.020 . 2 . . . . 77 LEU HB2 . 15793 1 472 . 1 1 77 77 LEU HB3 H 1 1.240 0.020 . 2 . . . . 77 LEU HB3 . 15793 1 473 . 1 1 77 77 LEU HD11 H 1 0.643 0.020 . 1 . . . . 77 LEU HD1 . 15793 1 474 . 1 1 77 77 LEU HD12 H 1 0.643 0.020 . 1 . . . . 77 LEU HD1 . 15793 1 475 . 1 1 77 77 LEU HD13 H 1 0.643 0.020 . 1 . . . . 77 LEU HD1 . 15793 1 476 . 1 1 77 77 LEU HD21 H 1 0.784 0.020 . 1 . . . . 77 LEU HD2 . 15793 1 477 . 1 1 77 77 LEU HD22 H 1 0.784 0.020 . 1 . . . . 77 LEU HD2 . 15793 1 478 . 1 1 77 77 LEU HD23 H 1 0.784 0.020 . 1 . . . . 77 LEU HD2 . 15793 1 479 . 1 1 77 77 LEU HG H 1 1.336 0.020 . 1 . . . . 77 LEU HG . 15793 1 480 . 1 1 77 77 LEU C C 13 179.835 0.3 . 1 . . . . 77 LEU C . 15793 1 481 . 1 1 77 77 LEU CA C 13 58.306 0.3 . 1 . . . . 77 LEU CA . 15793 1 482 . 1 1 77 77 LEU CB C 13 42.365 0.3 . 1 . . . . 77 LEU CB . 15793 1 483 . 1 1 77 77 LEU CD1 C 13 24.566 0.3 . 1 . . . . 77 LEU CD1 . 15793 1 484 . 1 1 77 77 LEU CD2 C 13 23.424 0.3 . 1 . . . . 77 LEU CD2 . 15793 1 485 . 1 1 77 77 LEU CG C 13 26.768 0.3 . 1 . . . . 77 LEU CG . 15793 1 486 . 1 1 77 77 LEU N N 15 120.640 0.3 . 1 . . . . 77 LEU N . 15793 1 487 . 1 1 78 78 VAL H H 1 8.287 0.020 . 1 . . . . 78 VAL H . 15793 1 488 . 1 1 78 78 VAL HA H 1 3.950 0.020 . 1 . . . . 78 VAL HA . 15793 1 489 . 1 1 78 78 VAL HB H 1 2.073 0.020 . 1 . . . . 78 VAL HB . 15793 1 490 . 1 1 78 78 VAL HG11 H 1 0.936 0.020 . 1 . . . . 78 VAL HG1 . 15793 1 491 . 1 1 78 78 VAL HG12 H 1 0.936 0.020 . 1 . . . . 78 VAL HG1 . 15793 1 492 . 1 1 78 78 VAL HG13 H 1 0.936 0.020 . 1 . . . . 78 VAL HG1 . 15793 1 493 . 1 1 78 78 VAL HG21 H 1 0.839 0.020 . 1 . . . . 78 VAL HG2 . 15793 1 494 . 1 1 78 78 VAL HG22 H 1 0.839 0.020 . 1 . . . . 78 VAL HG2 . 15793 1 495 . 1 1 78 78 VAL HG23 H 1 0.839 0.020 . 1 . . . . 78 VAL HG2 . 15793 1 496 . 1 1 78 78 VAL C C 13 181.099 0.3 . 1 . . . . 78 VAL C . 15793 1 497 . 1 1 78 78 VAL CA C 13 66.044 0.3 . 1 . . . . 78 VAL CA . 15793 1 498 . 1 1 78 78 VAL CB C 13 32.287 0.3 . 1 . . . . 78 VAL CB . 15793 1 499 . 1 1 78 78 VAL CG1 C 13 23.222 0.3 . 1 . . . . 78 VAL CG1 . 15793 1 500 . 1 1 78 78 VAL CG2 C 13 20.823 0.3 . 1 . . . . 78 VAL CG2 . 15793 1 501 . 1 1 78 78 VAL N N 15 121.179 0.3 . 1 . . . . 78 VAL N . 15793 1 502 . 1 1 79 79 LYS H H 1 7.836 0.020 . 1 . . . . 79 LYS H . 15793 1 503 . 1 1 79 79 LYS HA H 1 4.004 0.020 . 1 . . . . 79 LYS HA . 15793 1 504 . 1 1 79 79 LYS HB2 H 1 1.577 0.020 . 1 . . . . 79 LYS HB2 . 15793 1 505 . 1 1 79 79 LYS HB3 H 1 1.577 0.020 . 1 . . . . 79 LYS HB3 . 15793 1 506 . 1 1 79 79 LYS HD2 H 1 1.889 0.020 . 1 . . . . 79 LYS HD2 . 15793 1 507 . 1 1 79 79 LYS HD3 H 1 1.889 0.020 . 1 . . . . 79 LYS HD3 . 15793 1 508 . 1 1 79 79 LYS HE2 H 1 2.844 0.020 . 1 . . . . 79 LYS HE2 . 15793 1 509 . 1 1 79 79 LYS HE3 H 1 2.844 0.020 . 1 . . . . 79 LYS HE3 . 15793 1 510 . 1 1 79 79 LYS HG2 H 1 1.434 0.020 . 2 . . . . 79 LYS HG2 . 15793 1 511 . 1 1 79 79 LYS HG3 H 1 1.393 0.020 . 2 . . . . 79 LYS HG3 . 15793 1 512 . 1 1 79 79 LYS CA C 13 59.189 0.3 . 1 . . . . 79 LYS CA . 15793 1 513 . 1 1 79 79 LYS CB C 13 29.238 0.3 . 1 . . . . 79 LYS CB . 15793 1 514 . 1 1 79 79 LYS CD C 13 31.736 0.3 . 1 . . . . 79 LYS CD . 15793 1 515 . 1 1 79 79 LYS CE C 13 42.022 0.3 . 1 . . . . 79 LYS CE . 15793 1 516 . 1 1 79 79 LYS CG C 13 24.957 0.3 . 1 . . . . 79 LYS CG . 15793 1 517 . 1 1 79 79 LYS N N 15 123.239 0.3 . 1 . . . . 79 LYS N . 15793 1 518 . 1 1 80 80 LYS HA H 1 4.179 0.020 . 1 . . . . 80 LYS HA . 15793 1 519 . 1 1 80 80 LYS HB2 H 1 1.891 0.020 . 1 . . . . 80 LYS HB2 . 15793 1 520 . 1 1 80 80 LYS HB3 H 1 1.891 0.020 . 1 . . . . 80 LYS HB3 . 15793 1 521 . 1 1 80 80 LYS CA C 13 57.269 0.3 . 1 . . . . 80 LYS CA . 15793 1 522 . 1 1 80 80 LYS CB C 13 31.067 0.3 . 1 . . . . 80 LYS CB . 15793 1 523 . 1 1 81 81 GLU H H 1 7.801 0.020 . 1 . . . . 81 GLU H . 15793 1 524 . 1 1 81 81 GLU HA H 1 4.513 0.020 . 1 . . . . 81 GLU HA . 15793 1 525 . 1 1 81 81 GLU HB2 H 1 1.749 0.020 . 1 . . . . 81 GLU HB2 . 15793 1 526 . 1 1 81 81 GLU HB3 H 1 1.749 0.020 . 1 . . . . 81 GLU HB3 . 15793 1 527 . 1 1 81 81 GLU CA C 13 57.915 0.3 . 1 . . . . 81 GLU CA . 15793 1 528 . 1 1 81 81 GLU CB C 13 26.150 0.3 . 1 . . . . 81 GLU CB . 15793 1 529 . 1 1 81 81 GLU N N 15 126.946 0.3 . 1 . . . . 81 GLU N . 15793 1 530 . 1 1 82 82 MET H H 1 7.978 0.020 . 1 . . . . 82 MET H . 15793 1 531 . 1 1 82 82 MET HA H 1 3.781 0.020 . 1 . . . . 82 MET HA . 15793 1 532 . 1 1 82 82 MET HB2 H 1 1.644 0.020 . 1 . . . . 82 MET HB2 . 15793 1 533 . 1 1 82 82 MET HB3 H 1 1.644 0.020 . 1 . . . . 82 MET HB3 . 15793 1 534 . 1 1 82 82 MET HG2 H 1 2.067 0.020 . 1 . . . . 82 MET HG2 . 15793 1 535 . 1 1 82 82 MET HG3 H 1 2.067 0.020 . 1 . . . . 82 MET HG3 . 15793 1 536 . 1 1 82 82 MET C C 13 176.695 0.3 . 1 . . . . 82 MET C . 15793 1 537 . 1 1 82 82 MET CA C 13 57.599 0.3 . 1 . . . . 82 MET CA . 15793 1 538 . 1 1 82 82 MET CB C 13 33.067 0.3 . 1 . . . . 82 MET CB . 15793 1 539 . 1 1 82 82 MET CG C 13 36.619 0.3 . 1 . . . . 82 MET CG . 15793 1 540 . 1 1 82 82 MET N N 15 112.370 0.3 . 1 . . . . 82 MET N . 15793 1 541 . 1 1 83 83 LEU H H 1 6.928 0.020 . 1 . . . . 83 LEU H . 15793 1 542 . 1 1 83 83 LEU HA H 1 5.042 0.020 . 1 . . . . 83 LEU HA . 15793 1 543 . 1 1 83 83 LEU HB2 H 1 1.254 0.020 . 2 . . . . 83 LEU HB2 . 15793 1 544 . 1 1 83 83 LEU HB3 H 1 1.332 0.020 . 2 . . . . 83 LEU HB3 . 15793 1 545 . 1 1 83 83 LEU HD21 H 1 0.624 0.020 . 1 . . . . 83 LEU HD2 . 15793 1 546 . 1 1 83 83 LEU HD22 H 1 0.624 0.020 . 1 . . . . 83 LEU HD2 . 15793 1 547 . 1 1 83 83 LEU HD23 H 1 0.624 0.020 . 1 . . . . 83 LEU HD2 . 15793 1 548 . 1 1 83 83 LEU C C 13 175.376 0.3 . 1 . . . . 83 LEU C . 15793 1 549 . 1 1 83 83 LEU CA C 13 52.193 0.3 . 1 . . . . 83 LEU CA . 15793 1 550 . 1 1 83 83 LEU CB C 13 48.040 0.3 . 1 . . . . 83 LEU CB . 15793 1 551 . 1 1 83 83 LEU CD1 C 13 24.746 0.3 . 1 . . . . 83 LEU CD1 . 15793 1 552 . 1 1 83 83 LEU CD2 C 13 28.069 0.3 . 1 . . . . 83 LEU CD2 . 15793 1 553 . 1 1 83 83 LEU N N 15 116.646 0.3 . 1 . . . . 83 LEU N . 15793 1 554 . 1 1 84 84 SER H H 1 9.089 0.020 . 1 . . . . 84 SER H . 15793 1 555 . 1 1 84 84 SER HA H 1 4.711 0.020 . 1 . . . . 84 SER HA . 15793 1 556 . 1 1 84 84 SER HB2 H 1 3.816 0.020 . 2 . . . . 84 SER HB2 . 15793 1 557 . 1 1 84 84 SER HB3 H 1 3.560 0.020 . 2 . . . . 84 SER HB3 . 15793 1 558 . 1 1 84 84 SER C C 13 173.496 0.3 . 1 . . . . 84 SER C . 15793 1 559 . 1 1 84 84 SER CA C 13 56.311 0.3 . 1 . . . . 84 SER CA . 15793 1 560 . 1 1 84 84 SER CB C 13 65.943 0.3 . 1 . . . . 84 SER CB . 15793 1 561 . 1 1 84 84 SER N N 15 115.366 0.3 . 1 . . . . 84 SER N . 15793 1 562 . 1 1 85 85 THR H H 1 8.091 0.020 . 1 . . . . 85 THR H . 15793 1 563 . 1 1 85 85 THR HA H 1 5.036 0.020 . 1 . . . . 85 THR HA . 15793 1 564 . 1 1 85 85 THR HB H 1 3.383 0.020 . 1 . . . . 85 THR HB . 15793 1 565 . 1 1 85 85 THR HG21 H 1 0.522 0.020 . 1 . . . . 85 THR HG2 . 15793 1 566 . 1 1 85 85 THR HG22 H 1 0.522 0.020 . 1 . . . . 85 THR HG2 . 15793 1 567 . 1 1 85 85 THR HG23 H 1 0.522 0.020 . 1 . . . . 85 THR HG2 . 15793 1 568 . 1 1 85 85 THR C C 13 173.844 0.3 . 1 . . . . 85 THR C . 15793 1 569 . 1 1 85 85 THR CA C 13 58.919 0.3 . 1 . . . . 85 THR CA . 15793 1 570 . 1 1 85 85 THR CB C 13 71.518 0.3 . 1 . . . . 85 THR CB . 15793 1 571 . 1 1 85 85 THR CG2 C 13 21.386 0.3 . 1 . . . . 85 THR CG2 . 15793 1 572 . 1 1 85 85 THR N N 15 110.842 0.3 . 1 . . . . 85 THR N . 15793 1 573 . 1 1 86 86 GLU H H 1 8.128 0.020 . 1 . . . . 86 GLU H . 15793 1 574 . 1 1 86 86 GLU HA H 1 4.413 0.020 . 1 . . . . 86 GLU HA . 15793 1 575 . 1 1 86 86 GLU HB2 H 1 2.004 0.020 . 1 . . . . 86 GLU HB2 . 15793 1 576 . 1 1 86 86 GLU HG2 H 1 1.701 0.020 . 1 . . . . 86 GLU HG2 . 15793 1 577 . 1 1 86 86 GLU HG3 H 1 1.701 0.020 . 1 . . . . 86 GLU HG3 . 15793 1 578 . 1 1 86 86 GLU C C 13 174.693 0.3 . 1 . . . . 86 GLU C . 15793 1 579 . 1 1 86 86 GLU CA C 13 54.405 0.3 . 1 . . . . 86 GLU CA . 15793 1 580 . 1 1 86 86 GLU CB C 13 33.099 0.3 . 1 . . . . 86 GLU CB . 15793 1 581 . 1 1 86 86 GLU CG C 13 29.617 0.3 . 1 . . . . 86 GLU CG . 15793 1 582 . 1 1 86 86 GLU N N 15 122.318 0.3 . 1 . . . . 86 GLU N . 15793 1 583 . 1 1 87 87 LYS H H 1 8.622 0.020 . 1 . . . . 87 LYS H . 15793 1 584 . 1 1 87 87 LYS HA H 1 4.153 0.020 . 1 . . . . 87 LYS HA . 15793 1 585 . 1 1 87 87 LYS HB2 H 1 1.330 0.020 . 2 . . . . 87 LYS HB2 . 15793 1 586 . 1 1 87 87 LYS HB3 H 1 1.526 0.020 . 2 . . . . 87 LYS HB3 . 15793 1 587 . 1 1 87 87 LYS HD2 H 1 1.544 0.020 . 2 . . . . 87 LYS HD2 . 15793 1 588 . 1 1 87 87 LYS HD3 H 1 1.289 0.020 . 2 . . . . 87 LYS HD3 . 15793 1 589 . 1 1 87 87 LYS HE2 H 1 2.550 0.020 . 1 . . . . 87 LYS HE2 . 15793 1 590 . 1 1 87 87 LYS HE3 H 1 2.550 0.020 . 1 . . . . 87 LYS HE3 . 15793 1 591 . 1 1 87 87 LYS HG2 H 1 0.893 0.020 . 2 . . . . 87 LYS HG2 . 15793 1 592 . 1 1 87 87 LYS HG3 H 1 0.809 0.020 . 2 . . . . 87 LYS HG3 . 15793 1 593 . 1 1 87 87 LYS C C 13 175.909 0.3 . 1 . . . . 87 LYS C . 15793 1 594 . 1 1 87 87 LYS CA C 13 56.403 0.3 . 1 . . . . 87 LYS CA . 15793 1 595 . 1 1 87 87 LYS CB C 13 32.960 0.3 . 1 . . . . 87 LYS CB . 15793 1 596 . 1 1 87 87 LYS CD C 13 29.207 0.3 . 1 . . . . 87 LYS CD . 15793 1 597 . 1 1 87 87 LYS CE C 13 41.704 0.3 . 1 . . . . 87 LYS CE . 15793 1 598 . 1 1 87 87 LYS CG C 13 24.603 0.3 . 1 . . . . 87 LYS CG . 15793 1 599 . 1 1 87 87 LYS N N 15 124.854 0.3 . 1 . . . . 87 LYS N . 15793 1 600 . 1 1 88 88 GLU HA H 1 4.276 0.020 . 1 . . . . 88 GLU HA . 15793 1 601 . 1 1 88 88 GLU HB2 H 1 1.701 0.020 . 1 . . . . 88 GLU HB2 . 15793 1 602 . 1 1 88 88 GLU HG2 H 1 1.729 0.020 . 2 . . . . 88 GLU HG2 . 15793 1 603 . 1 1 88 88 GLU HG3 H 1 1.586 0.020 . 2 . . . . 88 GLU HG3 . 15793 1 604 . 1 1 88 88 GLU C C 13 175.998 0.3 . 1 . . . . 88 GLU C . 15793 1 605 . 1 1 88 88 GLU CA C 13 55.362 0.3 . 1 . . . . 88 GLU CA . 15793 1 606 . 1 1 88 88 GLU CB C 13 30.945 0.3 . 1 . . . . 88 GLU CB . 15793 1 607 . 1 1 88 88 GLU CG C 13 30.259 0.3 . 1 . . . . 88 GLU CG . 15793 1 608 . 1 1 91 91 LYS H H 1 7.651 0.020 . 1 . . . . 91 LYS H . 15793 1 609 . 1 1 91 91 LYS HA H 1 4.456 0.020 . 1 . . . . 91 LYS HA . 15793 1 610 . 1 1 91 91 LYS HB2 H 1 1.781 0.020 . 1 . . . . 91 LYS HB2 . 15793 1 611 . 1 1 91 91 LYS HB3 H 1 1.781 0.020 . 1 . . . . 91 LYS HB3 . 15793 1 612 . 1 1 91 91 LYS HD2 H 1 1.606 0.020 . 1 . . . . 91 LYS HD2 . 15793 1 613 . 1 1 91 91 LYS HD3 H 1 1.606 0.020 . 1 . . . . 91 LYS HD3 . 15793 1 614 . 1 1 91 91 LYS HG2 H 1 1.312 0.020 . 1 . . . . 91 LYS HG2 . 15793 1 615 . 1 1 91 91 LYS HG3 H 1 1.312 0.020 . 1 . . . . 91 LYS HG3 . 15793 1 616 . 1 1 91 91 LYS C C 13 174.960 0.3 . 1 . . . . 91 LYS C . 15793 1 617 . 1 1 91 91 LYS CA C 13 54.992 0.3 . 1 . . . . 91 LYS CA . 15793 1 618 . 1 1 91 91 LYS CB C 13 34.855 0.3 . 1 . . . . 91 LYS CB . 15793 1 619 . 1 1 91 91 LYS CD C 13 29.404 0.3 . 1 . . . . 91 LYS CD . 15793 1 620 . 1 1 91 91 LYS CE C 13 42.111 0.3 . 1 . . . . 91 LYS CE . 15793 1 621 . 1 1 91 91 LYS CG C 13 25.145 0.3 . 1 . . . . 91 LYS CG . 15793 1 622 . 1 1 91 91 LYS N N 15 119.096 0.3 . 1 . . . . 91 LYS N . 15793 1 623 . 1 1 92 92 PHE H H 1 7.904 0.020 . 1 . . . . 92 PHE H . 15793 1 624 . 1 1 92 92 PHE HA H 1 4.772 0.020 . 1 . . . . 92 PHE HA . 15793 1 625 . 1 1 92 92 PHE HB2 H 1 2.626 0.020 . 2 . . . . 92 PHE HB2 . 15793 1 626 . 1 1 92 92 PHE HB3 H 1 2.316 0.020 . 2 . . . . 92 PHE HB3 . 15793 1 627 . 1 1 92 92 PHE HD1 H 1 6.988 0.020 . 1 . . . . 92 PHE HD1 . 15793 1 628 . 1 1 92 92 PHE HD2 H 1 6.988 0.020 . 1 . . . . 92 PHE HD2 . 15793 1 629 . 1 1 92 92 PHE HE1 H 1 7.131 0.020 . 1 . . . . 92 PHE HE1 . 15793 1 630 . 1 1 92 92 PHE HE2 H 1 7.131 0.020 . 1 . . . . 92 PHE HE2 . 15793 1 631 . 1 1 92 92 PHE C C 13 175.183 0.3 . 1 . . . . 92 PHE C . 15793 1 632 . 1 1 92 92 PHE CA C 13 57.762 0.3 . 1 . . . . 92 PHE CA . 15793 1 633 . 1 1 92 92 PHE CB C 13 40.747 0.3 . 1 . . . . 92 PHE CB . 15793 1 634 . 1 1 92 92 PHE N N 15 118.936 0.3 . 1 . . . . 92 PHE N . 15793 1 635 . 1 1 93 93 VAL H H 1 8.626 0.020 . 1 . . . . 93 VAL H . 15793 1 636 . 1 1 93 93 VAL HA H 1 4.090 0.020 . 1 . . . . 93 VAL HA . 15793 1 637 . 1 1 93 93 VAL HB H 1 1.645 0.020 . 1 . . . . 93 VAL HB . 15793 1 638 . 1 1 93 93 VAL HG11 H 1 0.629 0.020 . 1 . . . . 93 VAL HG1 . 15793 1 639 . 1 1 93 93 VAL HG12 H 1 0.629 0.020 . 1 . . . . 93 VAL HG1 . 15793 1 640 . 1 1 93 93 VAL HG13 H 1 0.629 0.020 . 1 . . . . 93 VAL HG1 . 15793 1 641 . 1 1 93 93 VAL HG21 H 1 0.629 0.020 . 1 . . . . 93 VAL HG2 . 15793 1 642 . 1 1 93 93 VAL HG22 H 1 0.629 0.020 . 1 . . . . 93 VAL HG2 . 15793 1 643 . 1 1 93 93 VAL HG23 H 1 0.629 0.020 . 1 . . . . 93 VAL HG2 . 15793 1 644 . 1 1 93 93 VAL C C 13 174.856 0.3 . 1 . . . . 93 VAL C . 15793 1 645 . 1 1 93 93 VAL CA C 13 61.228 0.3 . 1 . . . . 93 VAL CA . 15793 1 646 . 1 1 93 93 VAL CB C 13 33.595 0.3 . 1 . . . . 93 VAL CB . 15793 1 647 . 1 1 93 93 VAL CG1 C 13 20.775 0.3 . 1 . . . . 93 VAL CG1 . 15793 1 648 . 1 1 93 93 VAL N N 15 120.649 0.3 . 1 . . . . 93 VAL N . 15793 1 649 . 1 1 94 94 TYR H H 1 8.950 0.020 . 1 . . . . 94 TYR H . 15793 1 650 . 1 1 94 94 TYR HA H 1 5.029 0.020 . 1 . . . . 94 TYR HA . 15793 1 651 . 1 1 94 94 TYR HB2 H 1 2.489 0.020 . 2 . . . . 94 TYR HB2 . 15793 1 652 . 1 1 94 94 TYR HB3 H 1 2.768 0.020 . 2 . . . . 94 TYR HB3 . 15793 1 653 . 1 1 94 94 TYR HD1 H 1 6.849 0.020 . 1 . . . . 94 TYR HD1 . 15793 1 654 . 1 1 94 94 TYR HD2 H 1 6.849 0.020 . 1 . . . . 94 TYR HD2 . 15793 1 655 . 1 1 94 94 TYR HE1 H 1 6.460 0.020 . 1 . . . . 94 TYR HE1 . 15793 1 656 . 1 1 94 94 TYR HE2 H 1 6.460 0.020 . 1 . . . . 94 TYR HE2 . 15793 1 657 . 1 1 94 94 TYR C C 13 175.242 0.3 . 1 . . . . 94 TYR C . 15793 1 658 . 1 1 94 94 TYR CA C 13 57.619 0.3 . 1 . . . . 94 TYR CA . 15793 1 659 . 1 1 94 94 TYR CB C 13 41.447 0.3 . 1 . . . . 94 TYR CB . 15793 1 660 . 1 1 94 94 TYR N N 15 125.589 0.3 . 1 . . . . 94 TYR N . 15793 1 661 . 1 1 95 95 ARG H H 1 8.275 0.020 . 1 . . . . 95 ARG H . 15793 1 662 . 1 1 95 95 ARG HA H 1 5.001 0.020 . 1 . . . . 95 ARG HA . 15793 1 663 . 1 1 95 95 ARG HB2 H 1 1.635 0.020 . 1 . . . . 95 ARG HB2 . 15793 1 664 . 1 1 95 95 ARG HB3 H 1 1.635 0.020 . 1 . . . . 95 ARG HB3 . 15793 1 665 . 1 1 95 95 ARG CA C 13 53.055 0.3 . 1 . . . . 95 ARG CA . 15793 1 666 . 1 1 95 95 ARG N N 15 118.094 0.3 . 1 . . . . 95 ARG N . 15793 1 667 . 1 1 96 96 PRO HB2 H 1 1.760 0.020 . 1 . . . . 96 PRO HB2 . 15793 1 668 . 1 1 96 96 PRO HD2 H 1 2.940 0.020 . 2 . . . . 96 PRO HD2 . 15793 1 669 . 1 1 96 96 PRO HD3 H 1 2.900 0.020 . 2 . . . . 96 PRO HD3 . 15793 1 670 . 1 1 96 96 PRO CA C 13 63.815 0.3 . 1 . . . . 96 PRO CA . 15793 1 671 . 1 1 96 96 PRO CB C 13 33.778 0.3 . 1 . . . . 96 PRO CB . 15793 1 672 . 1 1 96 96 PRO CD C 13 50.367 0.3 . 1 . . . . 96 PRO CD . 15793 1 673 . 1 1 97 97 LEU H H 1 7.862 0.020 . 1 . . . . 97 LEU H . 15793 1 674 . 1 1 97 97 LEU HA H 1 4.054 0.020 . 1 . . . . 97 LEU HA . 15793 1 675 . 1 1 97 97 LEU HB2 H 1 1.161 0.020 . 2 . . . . 97 LEU HB2 . 15793 1 676 . 1 1 97 97 LEU HB3 H 1 1.304 0.020 . 2 . . . . 97 LEU HB3 . 15793 1 677 . 1 1 97 97 LEU HD11 H 1 0.605 0.020 . 1 . . . . 97 LEU HD1 . 15793 1 678 . 1 1 97 97 LEU HD12 H 1 0.605 0.020 . 1 . . . . 97 LEU HD1 . 15793 1 679 . 1 1 97 97 LEU HD13 H 1 0.605 0.020 . 1 . . . . 97 LEU HD1 . 15793 1 680 . 1 1 97 97 LEU HD21 H 1 0.716 0.020 . 1 . . . . 97 LEU HD2 . 15793 1 681 . 1 1 97 97 LEU HD22 H 1 0.716 0.020 . 1 . . . . 97 LEU HD2 . 15793 1 682 . 1 1 97 97 LEU HD23 H 1 0.716 0.020 . 1 . . . . 97 LEU HD2 . 15793 1 683 . 1 1 97 97 LEU HG H 1 1.302 0.020 . 1 . . . . 97 LEU HG . 15793 1 684 . 1 1 97 97 LEU CA C 13 55.208 0.3 . 1 . . . . 97 LEU CA . 15793 1 685 . 1 1 97 97 LEU CB C 13 42.072 0.3 . 1 . . . . 97 LEU CB . 15793 1 686 . 1 1 97 97 LEU CD1 C 13 23.008 0.3 . 1 . . . . 97 LEU CD1 . 15793 1 687 . 1 1 97 97 LEU CD2 C 13 24.632 0.3 . 1 . . . . 97 LEU CD2 . 15793 1 688 . 1 1 97 97 LEU CG C 13 26.514 0.3 . 1 . . . . 97 LEU CG . 15793 1 689 . 1 1 97 97 LEU N N 15 119.401 0.3 . 1 . . . . 97 LEU N . 15793 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 15793 _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 700.13 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak integral' _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 '2D 1H-15N HSQC' . . . 15793 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 43 43 VAL N N 15 . 1 1 43 43 VAL H H 1 0.853 0.043 . . . . . . . . . . 15793 1 2 . 1 1 44 44 ILE N N 15 . 1 1 44 44 ILE H H 1 0.766 0.038 . . . . . . . . . . 15793 1 3 . 1 1 45 45 TRP N N 15 . 1 1 45 45 TRP H H 1 0.837 0.042 . . . . . . . . . . 15793 1 4 . 1 1 46 46 SER N N 15 . 1 1 46 46 SER H H 1 0.94 0.047 . . . . . . . . . . 15793 1 5 . 1 1 47 47 LEU N N 15 . 1 1 47 47 LEU H H 1 0.739 0.037 . . . . . . . . . . 15793 1 6 . 1 1 48 48 GLY N N 15 . 1 1 48 48 GLY H H 1 0.852 0.043 . . . . . . . . . . 15793 1 7 . 1 1 49 49 GLU N N 15 . 1 1 49 49 GLU H H 1 0.52 0.026 . . . . . . . . . . 15793 1 8 . 1 1 50 50 ALA N N 15 . 1 1 50 50 ALA H H 1 0.703 0.035 . . . . . . . . . . 15793 1 9 . 1 1 51 51 ARG N N 15 . 1 1 51 51 ARG H H 1 0.75 0.037 . . . . . . . . . . 15793 1 10 . 1 1 52 52 VAL N N 15 . 1 1 52 52 VAL H H 1 0.691 0.035 . . . . . . . . . . 15793 1 11 . 1 1 53 53 ASP N N 15 . 1 1 53 53 ASP H H 1 0.771 0.039 . . . . . . . . . . 15793 1 12 . 1 1 54 54 GLU N N 15 . 1 1 54 54 GLU H H 1 0.809 0.04 . . . . . . . . . . 15793 1 13 . 1 1 55 55 ILE N N 15 . 1 1 55 55 ILE H H 1 0.793 0.04 . . . . . . . . . . 15793 1 14 . 1 1 56 56 TYR N N 15 . 1 1 56 56 TYR H H 1 0.777 0.039 . . . . . . . . . . 15793 1 15 . 1 1 57 57 ALA N N 15 . 1 1 57 57 ALA H H 1 0.752 0.038 . . . . . . . . . . 15793 1 16 . 1 1 58 58 GLN N N 15 . 1 1 58 58 GLN H H 1 0.784 0.039 . . . . . . . . . . 15793 1 17 . 1 1 59 59 ILE N N 15 . 1 1 59 59 ILE H H 1 0.728 0.036 . . . . . . . . . . 15793 1 18 . 1 1 61 61 GLN N N 15 . 1 1 61 61 GLN H H 1 0.731 0.037 . . . . . . . . . . 15793 1 19 . 1 1 62 62 GLU N N 15 . 1 1 62 62 GLU H H 1 0.617 0.031 . . . . . . . . . . 15793 1 20 . 1 1 63 63 LEU N N 15 . 1 1 63 63 LEU H H 1 0.798 0.04 . . . . . . . . . . 15793 1 21 . 1 1 64 64 GLU N N 15 . 1 1 64 64 GLU H H 1 0.813 0.041 . . . . . . . . . . 15793 1 22 . 1 1 65 65 TRP N N 15 . 1 1 65 65 TRP H H 1 0.589 0.029 . . . . . . . . . . 15793 1 23 . 1 1 67 67 LEU N N 15 . 1 1 67 67 LEU H H 1 0.85 0.042 . . . . . . . . . . 15793 1 24 . 1 1 68 68 ALA N N 15 . 1 1 68 68 ALA H H 1 0.749 0.037 . . . . . . . . . . 15793 1 25 . 1 1 69 69 THR N N 15 . 1 1 69 69 THR H H 1 0.795 0.04 . . . . . . . . . . 15793 1 26 . 1 1 70 70 VAL N N 15 . 1 1 70 70 VAL H H 1 0.82 0.041 . . . . . . . . . . 15793 1 27 . 1 1 71 71 LYS N N 15 . 1 1 71 71 LYS H H 1 0.805 0.04 . . . . . . . . . . 15793 1 28 . 1 1 72 72 THR N N 15 . 1 1 72 72 THR H H 1 0.806 0.04 . . . . . . . . . . 15793 1 29 . 1 1 73 73 LEU N N 15 . 1 1 73 73 LEU H H 1 0.855 0.043 . . . . . . . . . . 15793 1 30 . 1 1 74 74 LEU N N 15 . 1 1 74 74 LEU H H 1 0.785 0.039 . . . . . . . . . . 15793 1 31 . 1 1 75 75 GLY N N 15 . 1 1 75 75 GLY H H 1 0.857 0.043 . . . . . . . . . . 15793 1 32 . 1 1 76 76 ARG N N 15 . 1 1 76 76 ARG H H 1 0.787 0.039 . . . . . . . . . . 15793 1 33 . 1 1 77 77 LEU N N 15 . 1 1 77 77 LEU H H 1 0.699 0.035 . . . . . . . . . . 15793 1 34 . 1 1 78 78 VAL N N 15 . 1 1 78 78 VAL H H 1 0.719 0.036 . . . . . . . . . . 15793 1 35 . 1 1 79 79 LYS N N 15 . 1 1 79 79 LYS H H 1 0.841 0.042 . . . . . . . . . . 15793 1 36 . 1 1 81 81 GLU N N 15 . 1 1 81 81 GLU H H 1 0.151 0.008 . . . . . . . . . . 15793 1 37 . 1 1 82 82 MET N N 15 . 1 1 82 82 MET H H 1 0.807 0.04 . . . . . . . . . . 15793 1 38 . 1 1 83 83 LEU N N 15 . 1 1 83 83 LEU H H 1 0.729 0.036 . . . . . . . . . . 15793 1 39 . 1 1 84 84 SER N N 15 . 1 1 84 84 SER H H 1 0.799 0.04 . . . . . . . . . . 15793 1 40 . 1 1 85 85 THR N N 15 . 1 1 85 85 THR H H 1 0.789 0.039 . . . . . . . . . . 15793 1 41 . 1 1 86 86 GLU N N 15 . 1 1 86 86 GLU H H 1 0.718 0.036 . . . . . . . . . . 15793 1 42 . 1 1 87 87 LYS N N 15 . 1 1 87 87 LYS H H 1 0.63 0.031 . . . . . . . . . . 15793 1 43 . 1 1 88 88 GLU N N 15 . 1 1 88 88 GLU H H 1 0.624 0.031 . . . . . . . . . . 15793 1 44 . 1 1 91 91 LYS N N 15 . 1 1 91 91 LYS H H 1 0.543 0.027 . . . . . . . . . . 15793 1 45 . 1 1 92 92 PHE N N 15 . 1 1 92 92 PHE H H 1 0.608 0.03 . . . . . . . . . . 15793 1 46 . 1 1 93 93 VAL N N 15 . 1 1 93 93 VAL H H 1 0.728 0.036 . . . . . . . . . . 15793 1 47 . 1 1 94 94 TYR N N 15 . 1 1 94 94 TYR H H 1 0.791 0.04 . . . . . . . . . . 15793 1 48 . 1 1 95 95 ARG N N 15 . 1 1 95 95 ARG H H 1 0.704 0.035 . . . . . . . . . . 15793 1 49 . 1 1 97 97 LEU N N 15 . 1 1 97 97 LEU H H 1 0.19 0.009 . . . . . . . . . . 15793 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 15793 _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 700.13 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s-1 _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 '2D 1H-15N HSQC' . . . 15793 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $CARA . . 15793 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 43 43 VAL N N 15 0.987 0.04935 . . . . . 15793 1 2 . 1 1 44 44 ILE N N 15 1.047 0.05235 . . . . . 15793 1 3 . 1 1 45 45 TRP N N 15 0.988 0.0494 . . . . . 15793 1 4 . 1 1 46 46 SER N N 15 1.001 0.05005 . . . . . 15793 1 5 . 1 1 47 47 LEU N N 15 1.048 0.0524 . . . . . 15793 1 6 . 1 1 48 48 GLY N N 15 1.005 0.05025 . . . . . 15793 1 7 . 1 1 49 49 GLU N N 15 0.998 0.0499 . . . . . 15793 1 8 . 1 1 50 50 ALA N N 15 1.059 0.05295 . . . . . 15793 1 9 . 1 1 51 51 ARG N N 15 0.932 0.0466 . . . . . 15793 1 10 . 1 1 52 52 VAL N N 15 1.05 0.0525 . . . . . 15793 1 11 . 1 1 53 53 ASP N N 15 1.105 0.05525 . . . . . 15793 1 12 . 1 1 54 54 GLU N N 15 0.928 0.0464 . . . . . 15793 1 13 . 1 1 55 55 ILE N N 15 0.976 0.0488 . . . . . 15793 1 14 . 1 1 56 56 TYR N N 15 0.901 0.04505 . . . . . 15793 1 15 . 1 1 57 57 ALA N N 15 0.968 0.0484 . . . . . 15793 1 16 . 1 1 58 58 GLN N N 15 0.928 0.0464 . . . . . 15793 1 17 . 1 1 59 59 ILE N N 15 0.888 0.0444 . . . . . 15793 1 18 . 1 1 61 61 GLN N N 15 1.219 0.06095 . . . . . 15793 1 19 . 1 1 62 62 GLU N N 15 1.315 0.06575 . . . . . 15793 1 20 . 1 1 63 63 LEU N N 15 1.08 0.054 . . . . . 15793 1 21 . 1 1 64 64 GLU N N 15 1.105 0.05525 . . . . . 15793 1 22 . 1 1 65 65 TRP N N 15 1.003 0.05015 . . . . . 15793 1 23 . 1 1 67 67 LEU N N 15 1.289 0.06445 . . . . . 15793 1 24 . 1 1 68 68 ALA N N 15 1.43 0.0715 . . . . . 15793 1 25 . 1 1 69 69 THR N N 15 1.153 0.05765 . . . . . 15793 1 26 . 1 1 70 70 VAL N N 15 0.963 0.04815 . . . . . 15793 1 27 . 1 1 71 71 LYS N N 15 0.963 0.04815 . . . . . 15793 1 28 . 1 1 72 72 THR N N 15 1.047 0.05235 . . . . . 15793 1 29 . 1 1 73 73 LEU N N 15 0.955 0.04775 . . . . . 15793 1 30 . 1 1 74 74 LEU N N 15 0.871 0.04355 . . . . . 15793 1 31 . 1 1 75 75 GLY N N 15 0.97 0.0485 . . . . . 15793 1 32 . 1 1 76 76 ARG N N 15 1.032 0.0516 . . . . . 15793 1 33 . 1 1 77 77 LEU N N 15 1.059 0.05295 . . . . . 15793 1 34 . 1 1 78 78 VAL N N 15 0.959 0.04795 . . . . . 15793 1 35 . 1 1 79 79 LYS N N 15 0.972 0.0486 . . . . . 15793 1 36 . 1 1 81 81 GLU N N 15 1.383 0.06915 . . . . . 15793 1 37 . 1 1 82 82 MET N N 15 0.989 0.04945 . . . . . 15793 1 38 . 1 1 83 83 LEU N N 15 0.96 0.048 . . . . . 15793 1 39 . 1 1 84 84 SER N N 15 1.027 0.05135 . . . . . 15793 1 40 . 1 1 85 85 THR N N 15 1.146 0.0573 . . . . . 15793 1 41 . 1 1 86 86 GLU N N 15 1.119 0.05595 . . . . . 15793 1 42 . 1 1 87 87 LYS N N 15 1.419 0.07095 . . . . . 15793 1 43 . 1 1 88 88 GLU N N 15 1.45 0.0725 . . . . . 15793 1 44 . 1 1 91 91 LYS N N 15 1.623 0.08115 . . . . . 15793 1 45 . 1 1 92 92 PHE N N 15 1.386 0.0693 . . . . . 15793 1 46 . 1 1 93 93 VAL N N 15 1.147 0.05735 . . . . . 15793 1 47 . 1 1 94 94 TYR N N 15 1.074 0.0537 . . . . . 15793 1 48 . 1 1 95 95 ARG N N 15 1.072 0.0536 . . . . . 15793 1 49 . 1 1 97 97 LEU N N 15 1.665 0.1025 . . . . . 15793 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 15793 _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 700.13 _Heteronucl_T2_list.T2_coherence_type Nxy _Heteronucl_T2_list.T2_val_units s-1 _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 '2D 1H-15N HSQC' . . . 15793 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 1 $CARA . . 15793 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 43 43 VAL N N 15 28.31 1.4155 . . . . . . . 15793 1 2 . 1 1 44 44 ILE N N 15 25.01 1.2505 . . . . . . . 15793 1 3 . 1 1 45 45 TRP N N 15 24.46 1.223 . . . . . . . 15793 1 4 . 1 1 46 46 SER N N 15 25.63 1.2815 . . . . . . . 15793 1 5 . 1 1 47 47 LEU N N 15 24.14 1.207 . . . . . . . 15793 1 6 . 1 1 48 48 GLY N N 15 20.62 1.031 . . . . . . . 15793 1 7 . 1 1 49 49 GLU N N 15 16.69 0.8345 . . . . . . . 15793 1 8 . 1 1 50 50 ALA N N 15 20.19 1.0095 . . . . . . . 15793 1 9 . 1 1 51 51 ARG N N 15 21.46 1.073 . . . . . . . 15793 1 10 . 1 1 52 52 VAL N N 15 24.24 1.212 . . . . . . . 15793 1 11 . 1 1 53 53 ASP N N 15 22.43 1.1215 . . . . . . . 15793 1 12 . 1 1 54 54 GLU N N 15 21.69 1.0845 . . . . . . . 15793 1 13 . 1 1 55 55 ILE N N 15 23.24 1.162 . . . . . . . 15793 1 14 . 1 1 56 56 TYR N N 15 21.39 1.0695 . . . . . . . 15793 1 15 . 1 1 57 57 ALA N N 15 21.06 1.053 . . . . . . . 15793 1 16 . 1 1 58 58 GLN N N 15 19.77 0.9885 . . . . . . . 15793 1 17 . 1 1 59 59 ILE N N 15 23.89 1.1945 . . . . . . . 15793 1 18 . 1 1 61 61 GLN N N 15 21.32 1.066 . . . . . . . 15793 1 19 . 1 1 62 62 GLU N N 15 23.23 1.1615 . . . . . . . 15793 1 20 . 1 1 63 63 LEU N N 15 32.81 1.6405 . . . . . . . 15793 1 21 . 1 1 64 64 GLU N N 15 24.32 1.216 . . . . . . . 15793 1 22 . 1 1 65 65 TRP N N 15 22.67 1.1335 . . . . . . . 15793 1 23 . 1 1 67 67 LEU N N 15 26.66 1.333 . . . . . . . 15793 1 24 . 1 1 68 68 ALA N N 15 30.75 1.5375 . . . . . . . 15793 1 25 . 1 1 69 69 THR N N 15 25.19 1.2595 . . . . . . . 15793 1 26 . 1 1 70 70 VAL N N 15 23.94 1.197 . . . . . . . 15793 1 27 . 1 1 71 71 LYS N N 15 23.65 1.1825 . . . . . . . 15793 1 28 . 1 1 72 72 THR N N 15 24.75 1.2375 . . . . . . . 15793 1 29 . 1 1 73 73 LEU N N 15 23.55 1.1775 . . . . . . . 15793 1 30 . 1 1 74 74 LEU N N 15 23.62 1.181 . . . . . . . 15793 1 31 . 1 1 75 75 GLY N N 15 19.16 0.958 . . . . . . . 15793 1 32 . 1 1 76 76 ARG N N 15 25.83 1.2915 . . . . . . . 15793 1 33 . 1 1 77 77 LEU N N 15 23.9 1.195 . . . . . . . 15793 1 34 . 1 1 78 78 VAL N N 15 21.62 1.081 . . . . . . . 15793 1 35 . 1 1 79 79 LYS N N 15 23.21 1.1605 . . . . . . . 15793 1 36 . 1 1 81 81 GLU N N 15 8.973 0.44865 . . . . . . . 15793 1 37 . 1 1 82 82 MET N N 15 21.37 1.0685 . . . . . . . 15793 1 38 . 1 1 83 83 LEU N N 15 19.58 0.979 . . . . . . . 15793 1 39 . 1 1 84 84 SER N N 15 20.46 1.023 . . . . . . . 15793 1 40 . 1 1 85 85 THR N N 15 20.19 1.0095 . . . . . . . 15793 1 41 . 1 1 86 86 GLU N N 15 21 1.05 . . . . . . . 15793 1 42 . 1 1 87 87 LYS N N 15 27.06 1.353 . . . . . . . 15793 1 43 . 1 1 88 88 GLU N N 15 26.89 1.3445 . . . . . . . 15793 1 44 . 1 1 91 91 LYS N N 15 21.52 1.076 . . . . . . . 15793 1 45 . 1 1 92 92 PHE N N 15 20.65 1.0325 . . . . . . . 15793 1 46 . 1 1 93 93 VAL N N 15 26.73 1.3365 . . . . . . . 15793 1 47 . 1 1 94 94 TYR N N 15 21.8 1.09 . . . . . . . 15793 1 48 . 1 1 95 95 ARG N N 15 25.86 1.293 . . . . . . . 15793 1 49 . 1 1 97 97 LEU N N 15 8.621 0.43105 . . . . . . . 15793 1 stop_ save_