data_18691 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18691 _Entry.Title ; Backbone 1H, 13C, and 15N backbone resonance assignments of the TPR1 domain of mouse STI1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-08-30 _Entry.Accession_date 2012-08-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Andrzej Maciejewski . . . 18691 2 Wing-Yiu Choy . . . 18691 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18691 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 198 18691 '15N chemical shifts' 111 18691 '1H chemical shifts' 111 18691 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 . . 2014-02-19 2012-08-31 update BMRB 'update entry citation' 18691 1 . . 2012-10-18 2012-08-31 original author 'original release' 18691 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17689 'tpr1 domain' 18691 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18691 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23070844 _Citation.Full_citation . _Citation.Title '1H, 15N, and 13C backbone resonance assignments of the TPR1 and TPR2A domains of mouse STI1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 305 _Citation.Page_last 310 _Citation.Year 2013 _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 Andrzej Maciejewski . . . 18691 1 2 Marco Prado . A. . 18691 1 3 Wing-Yiu Choy . . . 18691 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18691 _Assembly.ID 1 _Assembly.Name 'tpr1 domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 tpr1 1 $tpr1 A . yes native no no . . . 18691 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_tpr1 _Entity.Sf_category entity _Entity.Sf_framecode tpr1 _Entity.Entry_ID 18691 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name tpr1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GEQVNELKEKGNKALSAGNI DDALQCYSEAIKLDPQNHVL YSNRSAAYAKKGDYQKAYED GCKTVDLKPDWGKGYSRKAA ALEFLNRFEEAKRTYEEGLK HEANNLQLKEGLQNMEAR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residue 1 is a non-native glycine result of cleavage of the affinity tag by TEV protease' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'TPR1 domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 1ELW . "Crystal Structure Of The Tpr1 Domain Of Hop In Complex With A Hsc70 Peptide" . . . . . 99.15 118 97.44 97.44 8.69e-76 . . . . 18691 1 2 no REF XP_004713702 . "PREDICTED: stress-induced-phosphoprotein 1 [Echinops telfairi]" . . . . . 97.46 241 97.39 98.26 3.99e-74 . . . . 18691 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 1 GLY . 18691 1 2 2 GLU . 18691 1 3 3 GLN . 18691 1 4 4 VAL . 18691 1 5 5 ASN . 18691 1 6 6 GLU . 18691 1 7 7 LEU . 18691 1 8 8 LYS . 18691 1 9 9 GLU . 18691 1 10 10 LYS . 18691 1 11 11 GLY . 18691 1 12 12 ASN . 18691 1 13 13 LYS . 18691 1 14 14 ALA . 18691 1 15 15 LEU . 18691 1 16 16 SER . 18691 1 17 17 ALA . 18691 1 18 18 GLY . 18691 1 19 19 ASN . 18691 1 20 20 ILE . 18691 1 21 21 ASP . 18691 1 22 22 ASP . 18691 1 23 23 ALA . 18691 1 24 24 LEU . 18691 1 25 25 GLN . 18691 1 26 26 CYS . 18691 1 27 27 TYR . 18691 1 28 28 SER . 18691 1 29 29 GLU . 18691 1 30 30 ALA . 18691 1 31 31 ILE . 18691 1 32 32 LYS . 18691 1 33 33 LEU . 18691 1 34 34 ASP . 18691 1 35 35 PRO . 18691 1 36 36 GLN . 18691 1 37 37 ASN . 18691 1 38 38 HIS . 18691 1 39 39 VAL . 18691 1 40 40 LEU . 18691 1 41 41 TYR . 18691 1 42 42 SER . 18691 1 43 43 ASN . 18691 1 44 44 ARG . 18691 1 45 45 SER . 18691 1 46 46 ALA . 18691 1 47 47 ALA . 18691 1 48 48 TYR . 18691 1 49 49 ALA . 18691 1 50 50 LYS . 18691 1 51 51 LYS . 18691 1 52 52 GLY . 18691 1 53 53 ASP . 18691 1 54 54 TYR . 18691 1 55 55 GLN . 18691 1 56 56 LYS . 18691 1 57 57 ALA . 18691 1 58 58 TYR . 18691 1 59 59 GLU . 18691 1 60 60 ASP . 18691 1 61 61 GLY . 18691 1 62 62 CYS . 18691 1 63 63 LYS . 18691 1 64 64 THR . 18691 1 65 65 VAL . 18691 1 66 66 ASP . 18691 1 67 67 LEU . 18691 1 68 68 LYS . 18691 1 69 69 PRO . 18691 1 70 70 ASP . 18691 1 71 71 TRP . 18691 1 72 72 GLY . 18691 1 73 73 LYS . 18691 1 74 74 GLY . 18691 1 75 75 TYR . 18691 1 76 76 SER . 18691 1 77 77 ARG . 18691 1 78 78 LYS . 18691 1 79 79 ALA . 18691 1 80 80 ALA . 18691 1 81 81 ALA . 18691 1 82 82 LEU . 18691 1 83 83 GLU . 18691 1 84 84 PHE . 18691 1 85 85 LEU . 18691 1 86 86 ASN . 18691 1 87 87 ARG . 18691 1 88 88 PHE . 18691 1 89 89 GLU . 18691 1 90 90 GLU . 18691 1 91 91 ALA . 18691 1 92 92 LYS . 18691 1 93 93 ARG . 18691 1 94 94 THR . 18691 1 95 95 TYR . 18691 1 96 96 GLU . 18691 1 97 97 GLU . 18691 1 98 98 GLY . 18691 1 99 99 LEU . 18691 1 100 100 LYS . 18691 1 101 101 HIS . 18691 1 102 102 GLU . 18691 1 103 103 ALA . 18691 1 104 104 ASN . 18691 1 105 105 ASN . 18691 1 106 106 LEU . 18691 1 107 107 GLN . 18691 1 108 108 LEU . 18691 1 109 109 LYS . 18691 1 110 110 GLU . 18691 1 111 111 GLY . 18691 1 112 112 LEU . 18691 1 113 113 GLN . 18691 1 114 114 ASN . 18691 1 115 115 MET . 18691 1 116 116 GLU . 18691 1 117 117 ALA . 18691 1 118 118 ARG . 18691 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 . GLY 1 1 18691 1 . GLU 2 2 18691 1 . GLN 3 3 18691 1 . VAL 4 4 18691 1 . ASN 5 5 18691 1 . GLU 6 6 18691 1 . LEU 7 7 18691 1 . LYS 8 8 18691 1 . GLU 9 9 18691 1 . LYS 10 10 18691 1 . GLY 11 11 18691 1 . ASN 12 12 18691 1 . LYS 13 13 18691 1 . ALA 14 14 18691 1 . LEU 15 15 18691 1 . SER 16 16 18691 1 . ALA 17 17 18691 1 . GLY 18 18 18691 1 . ASN 19 19 18691 1 . ILE 20 20 18691 1 . ASP 21 21 18691 1 . ASP 22 22 18691 1 . ALA 23 23 18691 1 . LEU 24 24 18691 1 . GLN 25 25 18691 1 . CYS 26 26 18691 1 . TYR 27 27 18691 1 . SER 28 28 18691 1 . GLU 29 29 18691 1 . ALA 30 30 18691 1 . ILE 31 31 18691 1 . LYS 32 32 18691 1 . LEU 33 33 18691 1 . ASP 34 34 18691 1 . PRO 35 35 18691 1 . GLN 36 36 18691 1 . ASN 37 37 18691 1 . HIS 38 38 18691 1 . VAL 39 39 18691 1 . LEU 40 40 18691 1 . TYR 41 41 18691 1 . SER 42 42 18691 1 . ASN 43 43 18691 1 . ARG 44 44 18691 1 . SER 45 45 18691 1 . ALA 46 46 18691 1 . ALA 47 47 18691 1 . TYR 48 48 18691 1 . ALA 49 49 18691 1 . LYS 50 50 18691 1 . LYS 51 51 18691 1 . GLY 52 52 18691 1 . ASP 53 53 18691 1 . TYR 54 54 18691 1 . GLN 55 55 18691 1 . LYS 56 56 18691 1 . ALA 57 57 18691 1 . TYR 58 58 18691 1 . GLU 59 59 18691 1 . ASP 60 60 18691 1 . GLY 61 61 18691 1 . CYS 62 62 18691 1 . LYS 63 63 18691 1 . THR 64 64 18691 1 . VAL 65 65 18691 1 . ASP 66 66 18691 1 . LEU 67 67 18691 1 . LYS 68 68 18691 1 . PRO 69 69 18691 1 . ASP 70 70 18691 1 . TRP 71 71 18691 1 . GLY 72 72 18691 1 . LYS 73 73 18691 1 . GLY 74 74 18691 1 . TYR 75 75 18691 1 . SER 76 76 18691 1 . ARG 77 77 18691 1 . LYS 78 78 18691 1 . ALA 79 79 18691 1 . ALA 80 80 18691 1 . ALA 81 81 18691 1 . LEU 82 82 18691 1 . GLU 83 83 18691 1 . PHE 84 84 18691 1 . LEU 85 85 18691 1 . ASN 86 86 18691 1 . ARG 87 87 18691 1 . PHE 88 88 18691 1 . GLU 89 89 18691 1 . GLU 90 90 18691 1 . ALA 91 91 18691 1 . LYS 92 92 18691 1 . ARG 93 93 18691 1 . THR 94 94 18691 1 . TYR 95 95 18691 1 . GLU 96 96 18691 1 . GLU 97 97 18691 1 . GLY 98 98 18691 1 . LEU 99 99 18691 1 . LYS 100 100 18691 1 . HIS 101 101 18691 1 . GLU 102 102 18691 1 . ALA 103 103 18691 1 . ASN 104 104 18691 1 . ASN 105 105 18691 1 . LEU 106 106 18691 1 . GLN 107 107 18691 1 . LEU 108 108 18691 1 . LYS 109 109 18691 1 . GLU 110 110 18691 1 . GLY 111 111 18691 1 . LEU 112 112 18691 1 . GLN 113 113 18691 1 . ASN 114 114 18691 1 . MET 115 115 18691 1 . GLU 116 116 18691 1 . ALA 117 117 18691 1 . ARG 118 118 18691 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 18691 _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 $tpr1 . 10090 organism . 'Mus musculus' 'House mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 18691 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 18691 _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 $tpr1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pDEST17 . . . . . . 18691 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18691 _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 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18691 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18691 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18691 1 4 DSS 'natural abundance' . . . . . . 100 . . uM . . . . 18691 1 5 tpr1 '[U-13C; U-15N]' . . 1 $tpr1 . . 0.5 . . mM . . . . 18691 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18691 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18691 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 18691 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 18691 1 pH 7 . pH 18691 1 pressure 1 . atm 18691 1 temperature 273 . K 18691 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18691 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18691 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18691 1 'data analysis' 18691 1 'peak picking' 18691 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18691 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18691 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18691 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18691 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18691 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18691 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18691 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18691 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 18691 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 18691 _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 . . . . . . . . . . . . . . . . 18691 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18691 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18691 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18691 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 18691 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18691 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18691 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18691 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 18691 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18691 1 2 '3D HNCACB' . . . 18691 1 3 '3D CBCA(CO)NH' . . . 18691 1 4 '3D C(CO)NH' . . . 18691 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 4 4 VAL H H 1 8.304 0.020 . 1 . . . . 4 VAL H . 18691 1 2 . 1 1 4 4 VAL CA C 13 66.835 0.3 . 1 . . . . 4 VAL CA . 18691 1 3 . 1 1 4 4 VAL CB C 13 31.669 0.3 . 1 . . . . 4 VAL CB . 18691 1 4 . 1 1 4 4 VAL N N 15 119.393 0.3 . 1 . . . . 4 VAL N . 18691 1 5 . 1 1 5 5 ASN H H 1 8.126 0.020 . 1 . . . . 5 ASN H . 18691 1 6 . 1 1 5 5 ASN CA C 13 56.269 0.3 . 1 . . . . 5 ASN CA . 18691 1 7 . 1 1 5 5 ASN CB C 13 37.846 0.3 . 1 . . . . 5 ASN CB . 18691 1 8 . 1 1 5 5 ASN N N 15 118.182 0.3 . 1 . . . . 5 ASN N . 18691 1 9 . 1 1 6 6 GLU H H 1 8.147 0.020 . 1 . . . . 6 GLU H . 18691 1 10 . 1 1 6 6 GLU CA C 13 59.358 0.3 . 1 . . . . 6 GLU CA . 18691 1 11 . 1 1 6 6 GLU CB C 13 29.502 0.3 . 1 . . . . 6 GLU CB . 18691 1 12 . 1 1 6 6 GLU N N 15 120.361 0.3 . 1 . . . . 6 GLU N . 18691 1 13 . 1 1 7 7 LEU H H 1 8.011 0.020 . 1 . . . . 7 LEU H . 18691 1 14 . 1 1 7 7 LEU CA C 13 58.086 0.3 . 1 . . . . 7 LEU CA . 18691 1 15 . 1 1 7 7 LEU CB C 13 43.116 0.3 . 1 . . . . 7 LEU CB . 18691 1 16 . 1 1 7 7 LEU N N 15 121.164 0.3 . 1 . . . . 7 LEU N . 18691 1 17 . 1 1 8 8 LYS H H 1 8.570 0.020 . 1 . . . . 8 LYS H . 18691 1 18 . 1 1 8 8 LYS CA C 13 60.387 0.3 . 1 . . . . 8 LYS CA . 18691 1 19 . 1 1 8 8 LYS CB C 13 32.048 0.3 . 1 . . . . 8 LYS CB . 18691 1 20 . 1 1 8 8 LYS N N 15 119.998 0.3 . 1 . . . . 8 LYS N . 18691 1 21 . 1 1 9 9 GLU H H 1 8.154 0.020 . 1 . . . . 9 GLU H . 18691 1 22 . 1 1 9 9 GLU CA C 13 59.195 0.3 . 1 . . . . 9 GLU CA . 18691 1 23 . 1 1 9 9 GLU CB C 13 29.122 0.3 . 1 . . . . 9 GLU CB . 18691 1 24 . 1 1 9 9 GLU N N 15 118.061 0.3 . 1 . . . . 9 GLU N . 18691 1 25 . 1 1 10 10 LYS H H 1 8.372 0.020 . 1 . . . . 10 LYS H . 18691 1 26 . 1 1 10 10 LYS CA C 13 60.116 0.3 . 1 . . . . 10 LYS CA . 18691 1 27 . 1 1 10 10 LYS CB C 13 33.240 0.3 . 1 . . . . 10 LYS CB . 18691 1 28 . 1 1 10 10 LYS N N 15 120.967 0.3 . 1 . . . . 10 LYS N . 18691 1 29 . 1 1 11 11 GLY H H 1 8.625 0.020 . 1 . . . . 11 GLY H . 18691 1 30 . 1 1 11 11 GLY CA C 13 47.274 0.3 . 1 . . . . 11 GLY CA . 18691 1 31 . 1 1 11 11 GLY N N 15 109.221 0.3 . 1 . . . . 11 GLY N . 18691 1 32 . 1 1 12 12 ASN H H 1 8.720 0.020 . 1 . . . . 12 ASN H . 18691 1 33 . 1 1 12 12 ASN CA C 13 55.510 0.3 . 1 . . . . 12 ASN CA . 18691 1 34 . 1 1 12 12 ASN CB C 13 37.196 0.3 . 1 . . . . 12 ASN CB . 18691 1 35 . 1 1 12 12 ASN N N 15 121.209 0.3 . 1 . . . . 12 ASN N . 18691 1 36 . 1 1 13 13 LYS H H 1 8.379 0.020 . 1 . . . . 13 LYS H . 18691 1 37 . 1 1 13 13 LYS CA C 13 59.303 0.3 . 1 . . . . 13 LYS CA . 18691 1 38 . 1 1 13 13 LYS CB C 13 32.428 0.3 . 1 . . . . 13 LYS CB . 18691 1 39 . 1 1 13 13 LYS N N 15 121.936 0.3 . 1 . . . . 13 LYS N . 18691 1 40 . 1 1 14 14 ALA H H 1 8.024 0.020 . 1 . . . . 14 ALA H . 18691 1 41 . 1 1 14 14 ALA CA C 13 54.969 0.3 . 1 . . . . 14 ALA CA . 18691 1 42 . 1 1 14 14 ALA CB C 13 17.419 0.3 . 1 . . . . 14 ALA CB . 18691 1 43 . 1 1 14 14 ALA N N 15 123.268 0.3 . 1 . . . . 14 ALA N . 18691 1 44 . 1 1 15 15 LEU H H 1 8.680 0.020 . 1 . . . . 15 LEU H . 18691 1 45 . 1 1 15 15 LEU CA C 13 58.328 0.3 . 1 . . . . 15 LEU CA . 18691 1 46 . 1 1 15 15 LEU CB C 13 41.693 0.3 . 1 . . . . 15 LEU CB . 18691 1 47 . 1 1 15 15 LEU N N 15 119.877 0.3 . 1 . . . . 15 LEU N . 18691 1 48 . 1 1 16 16 SER H H 1 8.106 0.020 . 1 . . . . 16 SER H . 18691 1 49 . 1 1 16 16 SER CA C 13 61.308 0.3 . 1 . . . . 16 SER CA . 18691 1 50 . 1 1 16 16 SER CB C 13 62.825 0.3 . 1 . . . . 16 SER CB . 18691 1 51 . 1 1 16 16 SER N N 15 115.275 0.3 . 1 . . . . 16 SER N . 18691 1 52 . 1 1 17 17 ALA H H 1 7.580 0.020 . 1 . . . . 17 ALA H . 18691 1 53 . 1 1 17 17 ALA CA C 13 52.205 0.3 . 1 . . . . 17 ALA CA . 18691 1 54 . 1 1 17 17 ALA CB C 13 19.315 0.3 . 1 . . . . 17 ALA CB . 18691 1 55 . 1 1 17 17 ALA N N 15 121.451 0.3 . 1 . . . . 17 ALA N . 18691 1 56 . 1 1 18 18 GLY H H 1 7.799 0.020 . 1 . . . . 18 GLY H . 18691 1 57 . 1 1 18 18 GLY CA C 13 45.161 0.3 . 1 . . . . 18 GLY CA . 18691 1 58 . 1 1 18 18 GLY N N 15 105.709 0.3 . 1 . . . . 18 GLY N . 18691 1 59 . 1 1 19 19 ASN H H 1 8.509 0.020 . 1 . . . . 19 ASN H . 18691 1 60 . 1 1 19 19 ASN CA C 13 51.501 0.3 . 1 . . . . 19 ASN CA . 18691 1 61 . 1 1 19 19 ASN CB C 13 36.763 0.3 . 1 . . . . 19 ASN CB . 18691 1 62 . 1 1 19 19 ASN N N 15 122.662 0.3 . 1 . . . . 19 ASN N . 18691 1 63 . 1 1 20 20 ILE H H 1 7.676 0.020 . 1 . . . . 20 ILE H . 18691 1 64 . 1 1 20 20 ILE CA C 13 63.963 0.3 . 1 . . . . 20 ILE CA . 18691 1 65 . 1 1 20 20 ILE N N 15 121.088 0.3 . 1 . . . . 20 ILE N . 18691 1 66 . 1 1 21 21 ASP H H 1 8.345 0.020 . 1 . . . . 21 ASP H . 18691 1 67 . 1 1 21 21 ASP CA C 13 58.165 0.3 . 1 . . . . 21 ASP CA . 18691 1 68 . 1 1 21 21 ASP CB C 13 39.688 0.3 . 1 . . . . 21 ASP CB . 18691 1 69 . 1 1 21 21 ASP N N 15 119.271 0.3 . 1 . . . . 21 ASP N . 18691 1 70 . 1 1 22 22 ASP H H 1 7.758 0.020 . 1 . . . . 22 ASP H . 18691 1 71 . 1 1 22 22 ASP CA C 13 56.919 0.3 . 1 . . . . 22 ASP CA . 18691 1 72 . 1 1 22 22 ASP N N 15 120.725 0.3 . 1 . . . . 22 ASP N . 18691 1 73 . 1 1 23 23 ALA H H 1 7.730 0.020 . 1 . . . . 23 ALA H . 18691 1 74 . 1 1 23 23 ALA CA C 13 55.781 0.3 . 1 . . . . 23 ALA CA . 18691 1 75 . 1 1 23 23 ALA CB C 13 18.177 0.3 . 1 . . . . 23 ALA CB . 18691 1 76 . 1 1 23 23 ALA N N 15 122.783 0.3 . 1 . . . . 23 ALA N . 18691 1 77 . 1 1 24 24 LEU H H 1 8.393 0.020 . 1 . . . . 24 LEU H . 18691 1 78 . 1 1 24 24 LEU CA C 13 58.491 0.3 . 1 . . . . 24 LEU CA . 18691 1 79 . 1 1 24 24 LEU CB C 13 41.964 0.3 . 1 . . . . 24 LEU CB . 18691 1 80 . 1 1 24 24 LEU N N 15 115.760 0.3 . 1 . . . . 24 LEU N . 18691 1 81 . 1 1 25 25 GLN H H 1 7.833 0.020 . 1 . . . . 25 GLN H . 18691 1 82 . 1 1 25 25 GLN CA C 13 59.358 0.3 . 1 . . . . 25 GLN CA . 18691 1 83 . 1 1 25 25 GLN CB C 13 28.147 0.3 . 1 . . . . 25 GLN CB . 18691 1 84 . 1 1 25 25 GLN N N 15 120.846 0.3 . 1 . . . . 25 GLN N . 18691 1 85 . 1 1 26 26 CYS H H 1 8.024 0.020 . 1 . . . . 26 CYS H . 18691 1 86 . 1 1 26 26 CYS CA C 13 64.180 0.3 . 1 . . . . 26 CYS CA . 18691 1 87 . 1 1 26 26 CYS CB C 13 26.467 0.3 . 1 . . . . 26 CYS CB . 18691 1 88 . 1 1 26 26 CYS N N 15 117.939 0.3 . 1 . . . . 26 CYS N . 18691 1 89 . 1 1 27 27 TYR H H 1 8.598 0.020 . 1 . . . . 27 TYR H . 18691 1 90 . 1 1 27 27 TYR CA C 13 58.707 0.3 . 1 . . . . 27 TYR CA . 18691 1 91 . 1 1 27 27 TYR CB C 13 37.304 0.3 . 1 . . . . 27 TYR CB . 18691 1 92 . 1 1 27 27 TYR N N 15 115.760 0.3 . 1 . . . . 27 TYR N . 18691 1 93 . 1 1 28 28 SER H H 1 8.550 0.020 . 1 . . . . 28 SER H . 18691 1 94 . 1 1 28 28 SER CA C 13 63.042 0.3 . 1 . . . . 28 SER CA . 18691 1 95 . 1 1 28 28 SER N N 15 115.033 0.3 . 1 . . . . 28 SER N . 18691 1 96 . 1 1 29 29 GLU H H 1 8.256 0.020 . 1 . . . . 29 GLU H . 18691 1 97 . 1 1 29 29 GLU CA C 13 59.141 0.3 . 1 . . . . 29 GLU CA . 18691 1 98 . 1 1 29 29 GLU CB C 13 29.393 0.3 . 1 . . . . 29 GLU CB . 18691 1 99 . 1 1 29 29 GLU N N 15 123.510 0.3 . 1 . . . . 29 GLU N . 18691 1 100 . 1 1 30 30 ALA H H 1 8.010 0.020 . 1 . . . . 30 ALA H . 18691 1 101 . 1 1 30 30 ALA CA C 13 55.077 0.3 . 1 . . . . 30 ALA CA . 18691 1 102 . 1 1 30 30 ALA CB C 13 18.773 0.3 . 1 . . . . 30 ALA CB . 18691 1 103 . 1 1 30 30 ALA N N 15 122.057 0.3 . 1 . . . . 30 ALA N . 18691 1 104 . 1 1 31 31 ILE H H 1 8.279 0.020 . 1 . . . . 31 ILE H . 18691 1 105 . 1 1 31 31 ILE CA C 13 64.776 0.3 . 1 . . . . 31 ILE CA . 18691 1 106 . 1 1 31 31 ILE CB C 13 38.713 0.3 . 1 . . . . 31 ILE CB . 18691 1 107 . 1 1 31 31 ILE N N 15 120.061 0.3 . 1 . . . . 31 ILE N . 18691 1 108 . 1 1 32 32 LYS H H 1 7.198 0.020 . 1 . . . . 32 LYS H . 18691 1 109 . 1 1 32 32 LYS CA C 13 59.195 0.3 . 1 . . . . 32 LYS CA . 18691 1 110 . 1 1 32 32 LYS CB C 13 32.265 0.3 . 1 . . . . 32 LYS CB . 18691 1 111 . 1 1 32 32 LYS N N 15 117.213 0.3 . 1 . . . . 32 LYS N . 18691 1 112 . 1 1 33 33 LEU H H 1 6.973 0.020 . 1 . . . . 33 LEU H . 18691 1 113 . 1 1 33 33 LEU CA C 13 55.890 0.3 . 1 . . . . 33 LEU CA . 18691 1 114 . 1 1 33 33 LEU CB C 13 43.102 0.3 . 1 . . . . 33 LEU CB . 18691 1 115 . 1 1 33 33 LEU N N 15 115.881 0.3 . 1 . . . . 33 LEU N . 18691 1 116 . 1 1 34 34 ASP H H 1 7.949 0.020 . 1 . . . . 34 ASP H . 18691 1 117 . 1 1 34 34 ASP CA C 13 52.205 0.3 . 1 . . . . 34 ASP CA . 18691 1 118 . 1 1 34 34 ASP CB C 13 41.747 0.3 . 1 . . . . 34 ASP CB . 18691 1 119 . 1 1 34 34 ASP N N 15 119.877 0.3 . 1 . . . . 34 ASP N . 18691 1 120 . 1 1 35 35 PRO CA C 13 64.668 0.3 . 1 . . . . 35 PRO CA . 18691 1 121 . 1 1 35 35 PRO CB C 13 32.265 0.3 . 1 . . . . 35 PRO CB . 18691 1 122 . 1 1 36 36 GLN H H 1 8.591 0.020 . 1 . . . . 36 GLN H . 18691 1 123 . 1 1 36 36 GLN CA C 13 54.643 0.3 . 1 . . . . 36 GLN CA . 18691 1 124 . 1 1 36 36 GLN CB C 13 28.093 0.3 . 1 . . . . 36 GLN CB . 18691 1 125 . 1 1 36 36 GLN N N 15 117.939 0.3 . 1 . . . . 36 GLN N . 18691 1 126 . 1 1 37 37 ASN H H 1 7.437 0.020 . 1 . . . . 37 ASN H . 18691 1 127 . 1 1 37 37 ASN CA C 13 53.397 0.3 . 1 . . . . 37 ASN CA . 18691 1 128 . 1 1 37 37 ASN CB C 13 38.063 0.3 . 1 . . . . 37 ASN CB . 18691 1 129 . 1 1 37 37 ASN N N 15 118.787 0.3 . 1 . . . . 37 ASN N . 18691 1 130 . 1 1 38 38 HIS H H 1 8.120 0.020 . 1 . . . . 38 HIS H . 18691 1 131 . 1 1 38 38 HIS CA C 13 59.520 0.3 . 1 . . . . 38 HIS CA . 18691 1 132 . 1 1 38 38 HIS CB C 13 30.260 0.3 . 1 . . . . 38 HIS CB . 18691 1 133 . 1 1 38 38 HIS N N 15 124.236 0.3 . 1 . . . . 38 HIS N . 18691 1 134 . 1 1 39 39 VAL H H 1 6.795 0.020 . 1 . . . . 39 VAL H . 18691 1 135 . 1 1 39 39 VAL CA C 13 65.697 0.3 . 1 . . . . 39 VAL CA . 18691 1 136 . 1 1 39 39 VAL CB C 13 31.452 0.3 . 1 . . . . 39 VAL CB . 18691 1 137 . 1 1 39 39 VAL N N 15 120.725 0.3 . 1 . . . . 39 VAL N . 18691 1 138 . 1 1 40 40 LEU H H 1 6.986 0.020 . 1 . . . . 40 LEU H . 18691 1 139 . 1 1 40 40 LEU CA C 13 57.299 0.3 . 1 . . . . 40 LEU CA . 18691 1 140 . 1 1 40 40 LEU CB C 13 41.802 0.3 . 1 . . . . 40 LEU CB . 18691 1 141 . 1 1 40 40 LEU N N 15 116.486 0.3 . 1 . . . . 40 LEU N . 18691 1 142 . 1 1 41 41 TYR H H 1 6.809 0.020 . 1 . . . . 41 TYR H . 18691 1 143 . 1 1 41 41 TYR CA C 13 62.717 0.3 . 1 . . . . 41 TYR CA . 18691 1 144 . 1 1 41 41 TYR CB C 13 38.442 0.3 . 1 . . . . 41 TYR CB . 18691 1 145 . 1 1 41 41 TYR N N 15 115.881 0.3 . 1 . . . . 41 TYR N . 18691 1 146 . 1 1 42 42 SER H H 1 7.847 0.020 . 1 . . . . 42 SER H . 18691 1 147 . 1 1 42 42 SER CA C 13 61.525 0.3 . 1 . . . . 42 SER CA . 18691 1 148 . 1 1 42 42 SER CB C 13 63.313 0.3 . 1 . . . . 42 SER CB . 18691 1 149 . 1 1 42 42 SER N N 15 116.123 0.3 . 1 . . . . 42 SER N . 18691 1 150 . 1 1 43 43 ASN H H 1 8.162 0.020 . 1 . . . . 43 ASN H . 18691 1 151 . 1 1 43 43 ASN CA C 13 54.969 0.3 . 1 . . . . 43 ASN CA . 18691 1 152 . 1 1 43 43 ASN CB C 13 36.221 0.3 . 1 . . . . 43 ASN CB . 18691 1 153 . 1 1 43 43 ASN N N 15 119.815 0.3 . 1 . . . . 43 ASN N . 18691 1 154 . 1 1 44 44 ARG H H 1 8.359 0.020 . 1 . . . . 44 ARG H . 18691 1 155 . 1 1 44 44 ARG CA C 13 61.091 0.3 . 1 . . . . 44 ARG CA . 18691 1 156 . 1 1 44 44 ARG CB C 13 29.502 0.3 . 1 . . . . 44 ARG CB . 18691 1 157 . 1 1 44 44 ARG N N 15 122.541 0.3 . 1 . . . . 44 ARG N . 18691 1 158 . 1 1 45 45 SER H H 1 8.639 0.020 . 1 . . . . 45 SER H . 18691 1 159 . 1 1 45 45 SER CA C 13 62.392 0.3 . 1 . . . . 45 SER CA . 18691 1 160 . 1 1 45 45 SER CB C 13 63.584 0.3 . 1 . . . . 45 SER CB . 18691 1 161 . 1 1 45 45 SER N N 15 112.854 0.3 . 1 . . . . 45 SER N . 18691 1 162 . 1 1 46 46 ALA H H 1 7.416 0.020 . 1 . . . . 46 ALA H . 18691 1 163 . 1 1 46 46 ALA CA C 13 54.643 0.3 . 1 . . . . 46 ALA CA . 18691 1 164 . 1 1 46 46 ALA CB C 13 17.798 0.3 . 1 . . . . 46 ALA CB . 18691 1 165 . 1 1 46 46 ALA N N 15 118.545 0.3 . 1 . . . . 46 ALA N . 18691 1 166 . 1 1 47 47 ALA H H 1 7.997 0.020 . 1 . . . . 47 ALA H . 18691 1 167 . 1 1 47 47 ALA CA C 13 55.214 0.3 . 1 . . . . 47 ALA CA . 18691 1 168 . 1 1 47 47 ALA N N 15 121.209 0.3 . 1 . . . . 47 ALA N . 18691 1 169 . 1 1 48 48 TYR H H 1 9.069 0.020 . 1 . . . . 48 TYR H . 18691 1 170 . 1 1 48 48 TYR CA C 13 62.338 0.3 . 1 . . . . 48 TYR CA . 18691 1 171 . 1 1 48 48 TYR CB C 13 37.250 0.3 . 1 . . . . 48 TYR CB . 18691 1 172 . 1 1 48 48 TYR N N 15 118.303 0.3 . 1 . . . . 48 TYR N . 18691 1 173 . 1 1 49 49 ALA H H 1 8.536 0.020 . 1 . . . . 49 ALA H . 18691 1 174 . 1 1 49 49 ALA CA C 13 55.619 0.3 . 1 . . . . 49 ALA CA . 18691 1 175 . 1 1 49 49 ALA CB C 13 17.093 0.3 . 1 . . . . 49 ALA CB . 18691 1 176 . 1 1 49 49 ALA N N 15 121.814 0.3 . 1 . . . . 49 ALA N . 18691 1 177 . 1 1 50 50 LYS H H 1 7.874 0.020 . 1 . . . . 50 LYS H . 18691 1 178 . 1 1 50 50 LYS CA C 13 58.599 0.3 . 1 . . . . 50 LYS CA . 18691 1 179 . 1 1 50 50 LYS CB C 13 32.157 0.3 . 1 . . . . 50 LYS CB . 18691 1 180 . 1 1 50 50 LYS N N 15 118.787 0.3 . 1 . . . . 50 LYS N . 18691 1 181 . 1 1 51 51 LYS H H 1 7.874 0.020 . 1 . . . . 51 LYS H . 18691 1 182 . 1 1 51 51 LYS CA C 13 56.269 0.3 . 1 . . . . 51 LYS CA . 18691 1 183 . 1 1 51 51 LYS CB C 13 33.132 0.3 . 1 . . . . 51 LYS CB . 18691 1 184 . 1 1 51 51 LYS N N 15 117.576 0.3 . 1 . . . . 51 LYS N . 18691 1 185 . 1 1 52 52 GLY H H 1 7.512 0.020 . 1 . . . . 52 GLY H . 18691 1 186 . 1 1 52 52 GLY CA C 13 43.752 0.3 . 1 . . . . 52 GLY CA . 18691 1 187 . 1 1 52 52 GLY N N 15 105.346 0.3 . 1 . . . . 52 GLY N . 18691 1 188 . 1 1 53 53 ASP H H 1 7.717 0.020 . 1 . . . . 53 ASP H . 18691 1 189 . 1 1 53 53 ASP CA C 13 51.176 0.3 . 1 . . . . 53 ASP CA . 18691 1 190 . 1 1 53 53 ASP CB C 13 39.255 0.3 . 1 . . . . 53 ASP CB . 18691 1 191 . 1 1 53 53 ASP N N 15 121.572 0.3 . 1 . . . . 53 ASP N . 18691 1 192 . 1 1 54 54 TYR H H 1 7.157 0.020 . 1 . . . . 54 TYR H . 18691 1 193 . 1 1 54 54 TYR CA C 13 59.954 0.3 . 1 . . . . 54 TYR CA . 18691 1 194 . 1 1 54 54 TYR CB C 13 36.817 0.3 . 1 . . . . 54 TYR CB . 18691 1 195 . 1 1 54 54 TYR N N 15 121.814 0.3 . 1 . . . . 54 TYR N . 18691 1 196 . 1 1 55 55 GLN H H 1 8.741 0.020 . 1 . . . . 55 GLN H . 18691 1 197 . 1 1 55 55 GLN CA C 13 58.978 0.3 . 1 . . . . 55 GLN CA . 18691 1 198 . 1 1 55 55 GLN CB C 13 27.334 0.3 . 1 . . . . 55 GLN CB . 18691 1 199 . 1 1 55 55 GLN N N 15 120.240 0.3 . 1 . . . . 55 GLN N . 18691 1 200 . 1 1 56 56 LYS H H 1 7.321 0.020 . 1 . . . . 56 LYS H . 18691 1 201 . 1 1 56 56 LYS CA C 13 59.303 0.3 . 1 . . . . 56 LYS CA . 18691 1 202 . 1 1 56 56 LYS CB C 13 29.122 0.3 . 1 . . . . 56 LYS CB . 18691 1 203 . 1 1 56 56 LYS N N 15 118.908 0.3 . 1 . . . . 56 LYS N . 18691 1 204 . 1 1 57 57 ALA H H 1 8.133 0.020 . 1 . . . . 57 ALA H . 18691 1 205 . 1 1 57 57 ALA CA C 13 55.673 0.3 . 1 . . . . 57 ALA CA . 18691 1 206 . 1 1 57 57 ALA CB C 13 18.231 0.3 . 1 . . . . 57 ALA CB . 18691 1 207 . 1 1 57 57 ALA N N 15 120.846 0.3 . 1 . . . . 57 ALA N . 18691 1 208 . 1 1 58 58 TYR H H 1 8.727 0.020 . 1 . . . . 58 TYR H . 18691 1 209 . 1 1 58 58 TYR CA C 13 61.308 0.3 . 1 . . . . 58 TYR CA . 18691 1 210 . 1 1 58 58 TYR CB C 13 37.846 0.3 . 1 . . . . 58 TYR CB . 18691 1 211 . 1 1 58 58 TYR N N 15 122.541 0.3 . 1 . . . . 58 TYR N . 18691 1 212 . 1 1 59 59 GLU H H 1 8.461 0.020 . 1 . . . . 59 GLU H . 18691 1 213 . 1 1 59 59 GLU CA C 13 60.170 0.3 . 1 . . . . 59 GLU CA . 18691 1 214 . 1 1 59 59 GLU CB C 13 29.122 0.3 . 1 . . . . 59 GLU CB . 18691 1 215 . 1 1 59 59 GLU N N 15 122.662 0.3 . 1 . . . . 59 GLU N . 18691 1 216 . 1 1 60 60 ASP H H 1 8.171 0.020 . 1 . . . . 60 ASP H . 18691 1 217 . 1 1 60 60 ASP CA C 13 57.461 0.3 . 1 . . . . 60 ASP CA . 18691 1 218 . 1 1 60 60 ASP CB C 13 40.285 0.3 . 1 . . . . 60 ASP CB . 18691 1 219 . 1 1 60 60 ASP N N 15 119.680 0.3 . 1 . . . . 60 ASP N . 18691 1 220 . 1 1 61 61 GLY H H 1 8.331 0.020 . 1 . . . . 61 GLY H . 18691 1 221 . 1 1 61 61 GLY CA C 13 47.329 0.3 . 1 . . . . 61 GLY CA . 18691 1 222 . 1 1 61 61 GLY N N 15 111.400 0.3 . 1 . . . . 61 GLY N . 18691 1 223 . 1 1 62 62 CYS H H 1 8.509 0.020 . 1 . . . . 62 CYS H . 18691 1 224 . 1 1 62 62 CYS CA C 13 63.855 0.3 . 1 . . . . 62 CYS CA . 18691 1 225 . 1 1 62 62 CYS CB C 13 26.359 0.3 . 1 . . . . 62 CYS CB . 18691 1 226 . 1 1 62 62 CYS N N 15 119.029 0.3 . 1 . . . . 62 CYS N . 18691 1 227 . 1 1 63 63 LYS H H 1 7.635 0.020 . 1 . . . . 63 LYS H . 18691 1 228 . 1 1 63 63 LYS CA C 13 57.678 0.3 . 1 . . . . 63 LYS CA . 18691 1 229 . 1 1 63 63 LYS CB C 13 31.507 0.3 . 1 . . . . 63 LYS CB . 18691 1 230 . 1 1 63 63 LYS N N 15 119.823 0.3 . 1 . . . . 63 LYS N . 18691 1 231 . 1 1 64 64 THR H H 1 7.560 0.020 . 1 . . . . 64 THR H . 18691 1 232 . 1 1 64 64 THR CA C 13 68.948 0.3 . 1 . . . . 64 THR CA . 18691 1 233 . 1 1 64 64 THR N N 15 114.670 0.3 . 1 . . . . 64 THR N . 18691 1 234 . 1 1 65 65 VAL H H 1 7.054 0.020 . 1 . . . . 65 VAL H . 18691 1 235 . 1 1 65 65 VAL CA C 13 65.101 0.3 . 1 . . . . 65 VAL CA . 18691 1 236 . 1 1 65 65 VAL CB C 13 31.561 0.3 . 1 . . . . 65 VAL CB . 18691 1 237 . 1 1 65 65 VAL N N 15 119.998 0.3 . 1 . . . . 65 VAL N . 18691 1 238 . 1 1 66 66 ASP H H 1 7.771 0.020 . 1 . . . . 66 ASP H . 18691 1 239 . 1 1 66 66 ASP CA C 13 56.702 0.3 . 1 . . . . 66 ASP CA . 18691 1 240 . 1 1 66 66 ASP CB C 13 40.826 0.3 . 1 . . . . 66 ASP CB . 18691 1 241 . 1 1 66 66 ASP N N 15 117.334 0.3 . 1 . . . . 66 ASP N . 18691 1 242 . 1 1 67 67 LEU H H 1 7.998 0.020 . 1 . . . . 67 LEU H . 18691 1 243 . 1 1 67 67 LEU CB C 13 44.077 0.3 . 1 . . . . 67 LEU CB . 18691 1 244 . 1 1 67 67 LEU N N 15 117.620 0.3 . 1 . . . . 67 LEU N . 18691 1 245 . 1 1 68 68 LYS H H 1 7.938 0.020 . 1 . . . . 68 LYS H . 18691 1 246 . 1 1 68 68 LYS CB C 13 33.620 0.3 . 1 . . . . 68 LYS CB . 18691 1 247 . 1 1 68 68 LYS N N 15 120.007 0.3 . 1 . . . . 68 LYS N . 18691 1 248 . 1 1 69 69 PRO CA C 13 64.451 0.3 . 1 . . . . 69 PRO CA . 18691 1 249 . 1 1 69 69 PRO CB C 13 31.832 0.3 . 1 . . . . 69 PRO CB . 18691 1 250 . 1 1 70 70 ASP H H 1 8.270 0.020 . 1 . . . . 70 ASP H . 18691 1 251 . 1 1 70 70 ASP CA C 13 52.693 0.3 . 1 . . . . 70 ASP CA . 18691 1 252 . 1 1 70 70 ASP CB C 13 40.230 0.3 . 1 . . . . 70 ASP CB . 18691 1 253 . 1 1 70 70 ASP N N 15 114.064 0.3 . 1 . . . . 70 ASP N . 18691 1 254 . 1 1 71 71 TRP H H 1 7.765 0.020 . 1 . . . . 71 TRP H . 18691 1 255 . 1 1 71 71 TRP CA C 13 56.052 0.3 . 1 . . . . 71 TRP CA . 18691 1 256 . 1 1 71 71 TRP CB C 13 29.339 0.3 . 1 . . . . 71 TRP CB . 18691 1 257 . 1 1 71 71 TRP N N 15 121.572 0.3 . 1 . . . . 71 TRP N . 18691 1 258 . 1 1 72 72 GLY H H 1 9.157 0.020 . 1 . . . . 72 GLY H . 18691 1 259 . 1 1 72 72 GLY CA C 13 48.250 0.3 . 1 . . . . 72 GLY CA . 18691 1 260 . 1 1 72 72 GLY N N 15 117.576 0.3 . 1 . . . . 72 GLY N . 18691 1 261 . 1 1 73 73 LYS H H 1 6.761 0.020 . 1 . . . . 73 LYS H . 18691 1 262 . 1 1 73 73 LYS CA C 13 57.949 0.3 . 1 . . . . 73 LYS CA . 18691 1 263 . 1 1 73 73 LYS CB C 13 29.718 0.3 . 1 . . . . 73 LYS CB . 18691 1 264 . 1 1 73 73 LYS N N 15 118.666 0.3 . 1 . . . . 73 LYS N . 18691 1 265 . 1 1 74 74 GLY H H 1 6.809 0.020 . 1 . . . . 74 GLY H . 18691 1 266 . 1 1 74 74 GLY CA C 13 48.737 0.3 . 1 . . . . 74 GLY CA . 18691 1 267 . 1 1 74 74 GLY N N 15 104.135 0.3 . 1 . . . . 74 GLY N . 18691 1 268 . 1 1 75 75 TYR H H 1 7.024 0.020 . 1 . . . . 75 TYR H . 18691 1 269 . 1 1 75 75 TYR CA C 13 61.815 0.3 . 1 . . . . 75 TYR CA . 18691 1 270 . 1 1 75 75 TYR CB C 13 36.927 0.3 . 1 . . . . 75 TYR CB . 18691 1 271 . 1 1 75 75 TYR N N 15 118.040 0.3 . 1 . . . . 75 TYR N . 18691 1 272 . 1 1 76 76 SER H H 1 7.614 0.020 . 1 . . . . 76 SER H . 18691 1 273 . 1 1 76 76 SER N N 15 114.791 0.3 . 1 . . . . 76 SER N . 18691 1 274 . 1 1 77 77 ARG H H 1 7.887 0.020 . 1 . . . . 77 ARG H . 18691 1 275 . 1 1 77 77 ARG CA C 13 57.515 0.3 . 1 . . . . 77 ARG CA . 18691 1 276 . 1 1 77 77 ARG CB C 13 29.339 0.3 . 1 . . . . 77 ARG CB . 18691 1 277 . 1 1 77 77 ARG N N 15 119.877 0.3 . 1 . . . . 77 ARG N . 18691 1 278 . 1 1 78 78 LYS H H 1 8.256 0.020 . 1 . . . . 78 LYS H . 18691 1 279 . 1 1 78 78 LYS CA C 13 60.658 0.3 . 1 . . . . 78 LYS CA . 18691 1 280 . 1 1 78 78 LYS CB C 13 33.945 0.3 . 1 . . . . 78 LYS CB . 18691 1 281 . 1 1 78 78 LYS N N 15 120.361 0.3 . 1 . . . . 78 LYS N . 18691 1 282 . 1 1 79 79 ALA H H 1 8.782 0.020 . 1 . . . . 79 ALA H . 18691 1 283 . 1 1 79 79 ALA CA C 13 55.456 0.3 . 1 . . . . 79 ALA CA . 18691 1 284 . 1 1 79 79 ALA CB C 13 17.744 0.3 . 1 . . . . 79 ALA CB . 18691 1 285 . 1 1 79 79 ALA N N 15 119.514 0.3 . 1 . . . . 79 ALA N . 18691 1 286 . 1 1 80 80 ALA H H 1 8.010 0.020 . 1 . . . . 80 ALA H . 18691 1 287 . 1 1 80 80 ALA CA C 13 54.969 0.3 . 1 . . . . 80 ALA CA . 18691 1 288 . 1 1 80 80 ALA N N 15 118.061 0.3 . 1 . . . . 80 ALA N . 18691 1 289 . 1 1 81 81 ALA H H 1 7.287 0.020 . 1 . . . . 81 ALA H . 18691 1 290 . 1 1 81 81 ALA CA C 13 55.619 0.3 . 1 . . . . 81 ALA CA . 18691 1 291 . 1 1 81 81 ALA N N 15 117.213 0.3 . 1 . . . . 81 ALA N . 18691 1 292 . 1 1 82 82 LEU H H 1 7.758 0.020 . 1 . . . . 82 LEU H . 18691 1 293 . 1 1 82 82 LEU CA C 13 58.165 0.3 . 1 . . . . 82 LEU CA . 18691 1 294 . 1 1 82 82 LEU CB C 13 41.368 0.3 . 1 . . . . 82 LEU CB . 18691 1 295 . 1 1 82 82 LEU N N 15 116.607 0.3 . 1 . . . . 82 LEU N . 18691 1 296 . 1 1 83 83 GLU H H 1 8.249 0.020 . 1 . . . . 83 GLU H . 18691 1 297 . 1 1 83 83 GLU CA C 13 60.495 0.3 . 1 . . . . 83 GLU CA . 18691 1 298 . 1 1 83 83 GLU CB C 13 29.448 0.3 . 1 . . . . 83 GLU CB . 18691 1 299 . 1 1 83 83 GLU N N 15 119.756 0.3 . 1 . . . . 83 GLU N . 18691 1 300 . 1 1 84 84 PHE H H 1 7.649 0.020 . 1 . . . . 84 PHE H . 18691 1 301 . 1 1 84 84 PHE CA C 13 60.604 0.3 . 1 . . . . 84 PHE CA . 18691 1 302 . 1 1 84 84 PHE CB C 13 37.196 0.3 . 1 . . . . 84 PHE CB . 18691 1 303 . 1 1 84 84 PHE N N 15 119.647 0.3 . 1 . . . . 84 PHE N . 18691 1 304 . 1 1 85 85 LEU H H 1 7.423 0.020 . 1 . . . . 85 LEU H . 18691 1 305 . 1 1 85 85 LEU CA C 13 54.643 0.3 . 1 . . . . 85 LEU CA . 18691 1 306 . 1 1 85 85 LEU CB C 13 42.452 0.3 . 1 . . . . 85 LEU CB . 18691 1 307 . 1 1 85 85 LEU N N 15 117.871 0.3 . 1 . . . . 85 LEU N . 18691 1 308 . 1 1 86 86 ASN H H 1 7.833 0.020 . 1 . . . . 86 ASN H . 18691 1 309 . 1 1 86 86 ASN CB C 13 36.383 0.3 . 1 . . . . 86 ASN CB . 18691 1 310 . 1 1 86 86 ASN N N 15 114.428 0.3 . 1 . . . . 86 ASN N . 18691 1 311 . 1 1 87 87 ARG H H 1 7.928 0.020 . 1 . . . . 87 ARG H . 18691 1 312 . 1 1 87 87 ARG CB C 13 29.935 0.3 . 1 . . . . 87 ARG CB . 18691 1 313 . 1 1 87 87 ARG N N 15 122.299 0.3 . 1 . . . . 87 ARG N . 18691 1 314 . 1 1 88 88 PHE H H 1 7.007 0.020 . 1 . . . . 88 PHE H . 18691 1 315 . 1 1 88 88 PHE CA C 13 61.742 0.3 . 1 . . . . 88 PHE CA . 18691 1 316 . 1 1 88 88 PHE CB C 13 38.659 0.3 . 1 . . . . 88 PHE CB . 18691 1 317 . 1 1 88 88 PHE N N 15 118.061 0.3 . 1 . . . . 88 PHE N . 18691 1 318 . 1 1 89 89 GLU H H 1 8.748 0.020 . 1 . . . . 89 GLU H . 18691 1 319 . 1 1 89 89 GLU CA C 13 60.008 0.3 . 1 . . . . 89 GLU CA . 18691 1 320 . 1 1 89 89 GLU CB C 13 28.689 0.3 . 1 . . . . 89 GLU CB . 18691 1 321 . 1 1 89 89 GLU N N 15 121.451 0.3 . 1 . . . . 89 GLU N . 18691 1 322 . 1 1 90 90 GLU H H 1 8.420 0.020 . 1 . . . . 90 GLU H . 18691 1 323 . 1 1 90 90 GLU CA C 13 59.087 0.3 . 1 . . . . 90 GLU CA . 18691 1 324 . 1 1 90 90 GLU CB C 13 30.999 0.3 . 1 . . . . 90 GLU CB . 18691 1 325 . 1 1 90 90 GLU N N 15 119.150 0.3 . 1 . . . . 90 GLU N . 18691 1 326 . 1 1 91 91 ALA H H 1 8.591 0.020 . 1 . . . . 91 ALA H . 18691 1 327 . 1 1 91 91 ALA CA C 13 56.432 0.3 . 1 . . . . 91 ALA CA . 18691 1 328 . 1 1 91 91 ALA CB C 13 18.286 0.3 . 1 . . . . 91 ALA CB . 18691 1 329 . 1 1 91 91 ALA N N 15 125.811 0.3 . 1 . . . . 91 ALA N . 18691 1 330 . 1 1 92 92 LYS H H 1 8.468 0.020 . 1 . . . . 92 LYS H . 18691 1 331 . 1 1 92 92 LYS CA C 13 61.146 0.3 . 1 . . . . 92 LYS CA . 18691 1 332 . 1 1 92 92 LYS CB C 13 32.590 0.3 . 1 . . . . 92 LYS CB . 18691 1 333 . 1 1 92 92 LYS N N 15 118.666 0.3 . 1 . . . . 92 LYS N . 18691 1 334 . 1 1 93 93 ARG H H 1 7.751 0.020 . 1 . . . . 93 ARG H . 18691 1 335 . 1 1 93 93 ARG CA C 13 58.653 0.3 . 1 . . . . 93 ARG CA . 18691 1 336 . 1 1 93 93 ARG CB C 13 30.369 0.3 . 1 . . . . 93 ARG CB . 18691 1 337 . 1 1 93 93 ARG N N 15 115.881 0.3 . 1 . . . . 93 ARG N . 18691 1 338 . 1 1 94 94 THR H H 1 8.022 0.020 . 1 . . . . 94 THR H . 18691 1 339 . 1 1 94 94 THR N N 15 118.425 0.3 . 1 . . . . 94 THR N . 18691 1 340 . 1 1 95 95 TYR H H 1 8.502 0.020 . 1 . . . . 95 TYR H . 18691 1 341 . 1 1 95 95 TYR CA C 13 63.259 0.3 . 1 . . . . 95 TYR CA . 18691 1 342 . 1 1 95 95 TYR CB C 13 38.930 0.3 . 1 . . . . 95 TYR CB . 18691 1 343 . 1 1 95 95 TYR N N 15 121.815 0.3 . 1 . . . . 95 TYR N . 18691 1 344 . 1 1 96 96 GLU H H 1 8.167 0.020 . 1 . . . . 96 GLU H . 18691 1 345 . 1 1 96 96 GLU CA C 13 59.845 0.3 . 1 . . . . 96 GLU CA . 18691 1 346 . 1 1 96 96 GLU CB C 13 29.773 0.3 . 1 . . . . 96 GLU CB . 18691 1 347 . 1 1 96 96 GLU N N 15 116.244 0.3 . 1 . . . . 96 GLU N . 18691 1 348 . 1 1 97 97 GLU H H 1 8.290 0.020 . 1 . . . . 97 GLU H . 18691 1 349 . 1 1 97 97 GLU CA C 13 58.924 0.3 . 1 . . . . 97 GLU CA . 18691 1 350 . 1 1 97 97 GLU CB C 13 29.177 0.3 . 1 . . . . 97 GLU CB . 18691 1 351 . 1 1 97 97 GLU N N 15 120.604 0.3 . 1 . . . . 97 GLU N . 18691 1 352 . 1 1 98 98 GLY H H 1 8.188 0.020 . 1 . . . . 98 GLY H . 18691 1 353 . 1 1 98 98 GLY CA C 13 47.599 0.3 . 1 . . . . 98 GLY CA . 18691 1 354 . 1 1 98 98 GLY N N 15 107.889 0.3 . 1 . . . . 98 GLY N . 18691 1 355 . 1 1 99 99 LEU H H 1 7.922 0.020 . 1 . . . . 99 LEU H . 18691 1 356 . 1 1 99 99 LEU CA C 13 56.682 0.3 . 1 . . . . 99 LEU CA . 18691 1 357 . 1 1 99 99 LEU CB C 13 42.251 0.3 . 1 . . . . 99 LEU CB . 18691 1 358 . 1 1 99 99 LEU N N 15 121.950 0.3 . 1 . . . . 99 LEU N . 18691 1 359 . 1 1 100 100 LYS H H 1 7.307 0.020 . 1 . . . . 100 LYS H . 18691 1 360 . 1 1 100 100 LYS CA C 13 58.436 0.3 . 1 . . . . 100 LYS CA . 18691 1 361 . 1 1 100 100 LYS CB C 13 31.940 0.3 . 1 . . . . 100 LYS CB . 18691 1 362 . 1 1 100 100 LYS N N 15 117.697 0.3 . 1 . . . . 100 LYS N . 18691 1 363 . 1 1 101 101 HIS H H 1 7.191 0.020 . 1 . . . . 101 HIS H . 18691 1 364 . 1 1 101 101 HIS CA C 13 57.624 0.3 . 1 . . . . 101 HIS CA . 18691 1 365 . 1 1 101 101 HIS CB C 13 30.802 0.3 . 1 . . . . 101 HIS CB . 18691 1 366 . 1 1 101 101 HIS N N 15 116.244 0.3 . 1 . . . . 101 HIS N . 18691 1 367 . 1 1 102 102 GLU H H 1 8.099 0.020 . 1 . . . . 102 GLU H . 18691 1 368 . 1 1 102 102 GLU CA C 13 55.510 0.3 . 1 . . . . 102 GLU CA . 18691 1 369 . 1 1 102 102 GLU N N 15 122.178 0.3 . 1 . . . . 102 GLU N . 18691 1 370 . 1 1 103 103 ALA H H 1 8.256 0.020 . 1 . . . . 103 ALA H . 18691 1 371 . 1 1 103 103 ALA CA C 13 54.806 0.3 . 1 . . . . 103 ALA CA . 18691 1 372 . 1 1 103 103 ALA CB C 13 18.990 0.3 . 1 . . . . 103 ALA CB . 18691 1 373 . 1 1 103 103 ALA N N 15 125.084 0.3 . 1 . . . . 103 ALA N . 18691 1 374 . 1 1 104 104 ASN H H 1 8.400 0.020 . 1 . . . . 104 ASN H . 18691 1 375 . 1 1 104 104 ASN CA C 13 52.151 0.3 . 1 . . . . 104 ASN CA . 18691 1 376 . 1 1 104 104 ASN CB C 13 38.280 0.3 . 1 . . . . 104 ASN CB . 18691 1 377 . 1 1 104 104 ASN N N 15 112.490 0.3 . 1 . . . . 104 ASN N . 18691 1 378 . 1 1 105 105 ASN H H 1 7.394 0.020 . 1 . . . . 105 ASN H . 18691 1 379 . 1 1 105 105 ASN CA C 13 54.481 0.3 . 1 . . . . 105 ASN CA . 18691 1 380 . 1 1 105 105 ASN N N 15 118.910 0.3 . 1 . . . . 105 ASN N . 18691 1 381 . 1 1 106 106 LEU H H 1 8.560 0.020 . 1 . . . . 106 LEU H . 18691 1 382 . 1 1 106 106 LEU N N 15 128.593 0.3 . 1 . . . . 106 LEU N . 18691 1 383 . 1 1 107 107 GLN H H 1 7.980 0.020 . 1 . . . . 107 GLN H . 18691 1 384 . 1 1 107 107 GLN CB C 13 28.418 0.3 . 1 . . . . 107 GLN CB . 18691 1 385 . 1 1 107 107 GLN N N 15 118.218 0.3 . 1 . . . . 107 GLN N . 18691 1 386 . 1 1 108 108 LEU H H 1 8.208 0.020 . 1 . . . . 108 LEU H . 18691 1 387 . 1 1 108 108 LEU CA C 13 54.698 0.3 . 1 . . . . 108 LEU CA . 18691 1 388 . 1 1 108 108 LEU CB C 13 38.063 0.3 . 1 . . . . 108 LEU CB . 18691 1 389 . 1 1 108 108 LEU N N 15 117.455 0.3 . 1 . . . . 108 LEU N . 18691 1 390 . 1 1 109 109 LYS H H 1 7.826 0.020 . 1 . . . . 109 LYS H . 18691 1 391 . 1 1 109 109 LYS CA C 13 56.702 0.3 . 1 . . . . 109 LYS CA . 18691 1 392 . 1 1 109 109 LYS CB C 13 33.674 0.3 . 1 . . . . 109 LYS CB . 18691 1 393 . 1 1 109 109 LYS N N 15 118.545 0.3 . 1 . . . . 109 LYS N . 18691 1 394 . 1 1 110 110 GLU H H 1 8.365 0.020 . 1 . . . . 110 GLU H . 18691 1 395 . 1 1 110 110 GLU CA C 13 58.599 0.3 . 1 . . . . 110 GLU CA . 18691 1 396 . 1 1 110 110 GLU CB C 13 29.664 0.3 . 1 . . . . 110 GLU CB . 18691 1 397 . 1 1 110 110 GLU N N 15 119.393 0.3 . 1 . . . . 110 GLU N . 18691 1 398 . 1 1 111 111 GLY H H 1 7.806 0.020 . 1 . . . . 111 GLY H . 18691 1 399 . 1 1 111 111 GLY CA C 13 46.001 0.3 . 1 . . . . 111 GLY CA . 18691 1 400 . 1 1 111 111 GLY N N 15 107.889 0.3 . 1 . . . . 111 GLY N . 18691 1 401 . 1 1 112 112 LEU H H 1 7.444 0.020 . 1 . . . . 112 LEU H . 18691 1 402 . 1 1 112 112 LEU CA C 13 57.569 0.3 . 1 . . . . 112 LEU CA . 18691 1 403 . 1 1 112 112 LEU CB C 13 41.802 0.3 . 1 . . . . 112 LEU CB . 18691 1 404 . 1 1 112 112 LEU N N 15 121.451 0.3 . 1 . . . . 112 LEU N . 18691 1 405 . 1 1 113 113 GLN H H 1 7.990 0.020 . 1 . . . . 113 GLN H . 18691 1 406 . 1 1 113 113 GLN CA C 13 59.358 0.3 . 1 . . . . 113 GLN CA . 18691 1 407 . 1 1 113 113 GLN CB C 13 27.876 0.3 . 1 . . . . 113 GLN CB . 18691 1 408 . 1 1 113 113 GLN N N 15 119.150 0.3 . 1 . . . . 113 GLN N . 18691 1 409 . 1 1 116 116 GLU H H 1 8.106 0.020 . 1 . . . . 116 GLU H . 18691 1 410 . 1 1 116 116 GLU CA C 13 57.515 0.3 . 1 . . . . 116 GLU CA . 18691 1 411 . 1 1 116 116 GLU CB C 13 30.044 0.3 . 1 . . . . 116 GLU CB . 18691 1 412 . 1 1 116 116 GLU N N 15 120.119 0.3 . 1 . . . . 116 GLU N . 18691 1 413 . 1 1 117 117 ALA H H 1 7.707 0.020 . 1 . . . . 117 ALA H . 18691 1 414 . 1 1 117 117 ALA CA C 13 52.151 0.3 . 1 . . . . 117 ALA CA . 18691 1 415 . 1 1 117 117 ALA CB C 13 18.936 0.3 . 1 . . . . 117 ALA CB . 18691 1 416 . 1 1 117 117 ALA N N 15 122.631 0.3 . 1 . . . . 117 ALA N . 18691 1 417 . 1 1 118 118 ARG H H 1 7.396 0.020 . 1 . . . . 118 ARG H . 18691 1 418 . 1 1 118 118 ARG CA C 13 57.624 0.3 . 1 . . . . 118 ARG CA . 18691 1 419 . 1 1 118 118 ARG CB C 13 31.181 0.3 . 1 . . . . 118 ARG CB . 18691 1 420 . 1 1 118 118 ARG N N 15 124.963 0.3 . 1 . . . . 118 ARG N . 18691 1 stop_ save_