data_15141 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15141 _Entry.Title ; Chemical shift assignment of TC-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-02-22 _Entry.Accession_date 2007-02-22 _Entry.Last_release_date 2008-06-27 _Entry.Original_release_date 2008-06-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Wing-Yiu Choy . . . 15141 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15141 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 233 15141 '15N chemical shifts' 75 15141 '1H chemical shifts' 75 15141 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-06-27 2007-02-22 original author . 15141 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15141 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17905836 _Citation.Full_citation . _Citation.Title 'The intrinsically disordered TC-1 interacts with Chibby via regions with high helical propensity' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 11 _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 2510 _Citation.Page_last 2518 _Citation.Year 2007 _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 Chris Gall . . . 15141 1 2 Hanyu Xu . . . 15141 1 3 Anne Brickenden . . . 15141 1 4 Xuanjun Ai . . . 15141 1 5 Wing-Yiu Choy . . . 15141 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15141 _Assembly.ID 1 _Assembly.Name 'TC-1 monomer' _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 TC-1 1 $Thyroid_Cancer_1_(TC-1)_protein A . yes native no no . . . 15141 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Thyroid_Cancer_1_(TC-1)_protein _Entity.Sf_category entity _Entity.Sf_framecode Thyroid_Cancer_1_(TC-1)_protein _Entity.Entry_ID 15141 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Thyroid_Cancer_1_(TC-1)_protein _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 ; MKAKRSHQAIIMSTSLRVSP SIHGYHFDTASRKKAVGNIF ENTDQESLERLFRNSGDKKA EERAKIIFAIDQDVEEKTRA LMALKKRTKDKLFQFLKLRK YSIKVH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 GB AAF78961 . "C8ORF4 protein [Homo sapiens]" . . . . . 100.00 106 100.00 100.00 3.07e-69 . . . . 15141 1 2 no GB AAH20623 . "Chromosome 8 open reading frame 4 [Homo sapiens]" . . . . . 100.00 106 100.00 100.00 3.07e-69 . . . . 15141 1 3 no GB AAH21672 . "Chromosome 8 open reading frame 4 [Homo sapiens]" . . . . . 100.00 106 100.00 100.00 3.07e-69 . . . . 15141 1 4 no GB ACE87044 . "chromosome 8 open reading frame 4 protein [synthetic construct]" . . . . . 100.00 106 100.00 100.00 3.07e-69 . . . . 15141 1 5 no GB ACE87727 . "chromosome 8 open reading frame 4 protein [synthetic construct]" . . . . . 100.00 106 100.00 100.00 3.07e-69 . . . . 15141 1 6 no REF NP_001180920 . "thyroid cancer-1 [Macaca mulatta]" . . . . . 100.00 106 97.17 98.11 3.94e-67 . . . . 15141 1 7 no REF NP_064515 . "protein C8orf4 [Homo sapiens]" . . . . . 100.00 106 100.00 100.00 3.07e-69 . . . . 15141 1 8 no REF XP_002819077 . "PREDICTED: uncharacterized protein C8orf4 homolog [Pongo abelii]" . . . . . 100.00 106 97.17 99.06 3.78e-67 . . . . 15141 1 9 no REF XP_003734646 . "PREDICTED: uncharacterized protein C8orf4 homolog [Callithrix jacchus]" . . . . . 100.00 106 98.11 99.06 1.05e-67 . . . . 15141 1 10 no REF XP_003823354 . "PREDICTED: protein C8orf4 homolog [Pan paniscus]" . . . . . 100.00 106 98.11 100.00 2.67e-68 . . . . 15141 1 11 no SP Q9NR00 . "RecName: Full=Protein C8orf4; AltName: Full=Thyroid cancer protein 1; Short=TC-1" . . . . . 100.00 106 99.06 100.00 4.92e-69 . . . . 15141 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 . 15141 1 2 . LYS . 15141 1 3 . ALA . 15141 1 4 . LYS . 15141 1 5 . ARG . 15141 1 6 . SER . 15141 1 7 . HIS . 15141 1 8 . GLN . 15141 1 9 . ALA . 15141 1 10 . ILE . 15141 1 11 . ILE . 15141 1 12 . MET . 15141 1 13 . SER . 15141 1 14 . THR . 15141 1 15 . SER . 15141 1 16 . LEU . 15141 1 17 . ARG . 15141 1 18 . VAL . 15141 1 19 . SER . 15141 1 20 . PRO . 15141 1 21 . SER . 15141 1 22 . ILE . 15141 1 23 . HIS . 15141 1 24 . GLY . 15141 1 25 . TYR . 15141 1 26 . HIS . 15141 1 27 . PHE . 15141 1 28 . ASP . 15141 1 29 . THR . 15141 1 30 . ALA . 15141 1 31 . SER . 15141 1 32 . ARG . 15141 1 33 . LYS . 15141 1 34 . LYS . 15141 1 35 . ALA . 15141 1 36 . VAL . 15141 1 37 . GLY . 15141 1 38 . ASN . 15141 1 39 . ILE . 15141 1 40 . PHE . 15141 1 41 . GLU . 15141 1 42 . ASN . 15141 1 43 . THR . 15141 1 44 . ASP . 15141 1 45 . GLN . 15141 1 46 . GLU . 15141 1 47 . SER . 15141 1 48 . LEU . 15141 1 49 . GLU . 15141 1 50 . ARG . 15141 1 51 . LEU . 15141 1 52 . PHE . 15141 1 53 . ARG . 15141 1 54 . ASN . 15141 1 55 . SER . 15141 1 56 . GLY . 15141 1 57 . ASP . 15141 1 58 . LYS . 15141 1 59 . LYS . 15141 1 60 . ALA . 15141 1 61 . GLU . 15141 1 62 . GLU . 15141 1 63 . ARG . 15141 1 64 . ALA . 15141 1 65 . LYS . 15141 1 66 . ILE . 15141 1 67 . ILE . 15141 1 68 . PHE . 15141 1 69 . ALA . 15141 1 70 . ILE . 15141 1 71 . ASP . 15141 1 72 . GLN . 15141 1 73 . ASP . 15141 1 74 . VAL . 15141 1 75 . GLU . 15141 1 76 . GLU . 15141 1 77 . LYS . 15141 1 78 . THR . 15141 1 79 . ARG . 15141 1 80 . ALA . 15141 1 81 . LEU . 15141 1 82 . MET . 15141 1 83 . ALA . 15141 1 84 . LEU . 15141 1 85 . LYS . 15141 1 86 . LYS . 15141 1 87 . ARG . 15141 1 88 . THR . 15141 1 89 . LYS . 15141 1 90 . ASP . 15141 1 91 . LYS . 15141 1 92 . LEU . 15141 1 93 . PHE . 15141 1 94 . GLN . 15141 1 95 . PHE . 15141 1 96 . LEU . 15141 1 97 . LYS . 15141 1 98 . LEU . 15141 1 99 . ARG . 15141 1 100 . LYS . 15141 1 101 . TYR . 15141 1 102 . SER . 15141 1 103 . ILE . 15141 1 104 . LYS . 15141 1 105 . VAL . 15141 1 106 . HIS . 15141 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 15141 1 . LYS 2 2 15141 1 . ALA 3 3 15141 1 . LYS 4 4 15141 1 . ARG 5 5 15141 1 . SER 6 6 15141 1 . HIS 7 7 15141 1 . GLN 8 8 15141 1 . ALA 9 9 15141 1 . ILE 10 10 15141 1 . ILE 11 11 15141 1 . MET 12 12 15141 1 . SER 13 13 15141 1 . THR 14 14 15141 1 . SER 15 15 15141 1 . LEU 16 16 15141 1 . ARG 17 17 15141 1 . VAL 18 18 15141 1 . SER 19 19 15141 1 . PRO 20 20 15141 1 . SER 21 21 15141 1 . ILE 22 22 15141 1 . HIS 23 23 15141 1 . GLY 24 24 15141 1 . TYR 25 25 15141 1 . HIS 26 26 15141 1 . PHE 27 27 15141 1 . ASP 28 28 15141 1 . THR 29 29 15141 1 . ALA 30 30 15141 1 . SER 31 31 15141 1 . ARG 32 32 15141 1 . LYS 33 33 15141 1 . LYS 34 34 15141 1 . ALA 35 35 15141 1 . VAL 36 36 15141 1 . GLY 37 37 15141 1 . ASN 38 38 15141 1 . ILE 39 39 15141 1 . PHE 40 40 15141 1 . GLU 41 41 15141 1 . ASN 42 42 15141 1 . THR 43 43 15141 1 . ASP 44 44 15141 1 . GLN 45 45 15141 1 . GLU 46 46 15141 1 . SER 47 47 15141 1 . LEU 48 48 15141 1 . GLU 49 49 15141 1 . ARG 50 50 15141 1 . LEU 51 51 15141 1 . PHE 52 52 15141 1 . ARG 53 53 15141 1 . ASN 54 54 15141 1 . SER 55 55 15141 1 . GLY 56 56 15141 1 . ASP 57 57 15141 1 . LYS 58 58 15141 1 . LYS 59 59 15141 1 . ALA 60 60 15141 1 . GLU 61 61 15141 1 . GLU 62 62 15141 1 . ARG 63 63 15141 1 . ALA 64 64 15141 1 . LYS 65 65 15141 1 . ILE 66 66 15141 1 . ILE 67 67 15141 1 . PHE 68 68 15141 1 . ALA 69 69 15141 1 . ILE 70 70 15141 1 . ASP 71 71 15141 1 . GLN 72 72 15141 1 . ASP 73 73 15141 1 . VAL 74 74 15141 1 . GLU 75 75 15141 1 . GLU 76 76 15141 1 . LYS 77 77 15141 1 . THR 78 78 15141 1 . ARG 79 79 15141 1 . ALA 80 80 15141 1 . LEU 81 81 15141 1 . MET 82 82 15141 1 . ALA 83 83 15141 1 . LEU 84 84 15141 1 . LYS 85 85 15141 1 . LYS 86 86 15141 1 . ARG 87 87 15141 1 . THR 88 88 15141 1 . LYS 89 89 15141 1 . ASP 90 90 15141 1 . LYS 91 91 15141 1 . LEU 92 92 15141 1 . PHE 93 93 15141 1 . GLN 94 94 15141 1 . PHE 95 95 15141 1 . LEU 96 96 15141 1 . LYS 97 97 15141 1 . LEU 98 98 15141 1 . ARG 99 99 15141 1 . LYS 100 100 15141 1 . TYR 101 101 15141 1 . SER 102 102 15141 1 . ILE 103 103 15141 1 . LYS 104 104 15141 1 . VAL 105 105 15141 1 . HIS 106 106 15141 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 15141 _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 $Thyroid_Cancer_1_(TC-1)_protein . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15141 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 15141 _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 $Thyroid_Cancer_1_(TC-1)_protein . 'recombinant technology' 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . . pET15b . . . . . . 15141 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Thyroid_Cancer_1 _Sample.Sf_category sample _Sample.Sf_framecode Thyroid_Cancer_1 _Sample.Entry_ID 15141 _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 'Thyroid Cancer 1 (TC-1) protein' '[U-99% 13C; U-99% 15N]' . . 1 $Thyroid_Cancer_1_(TC-1)_protein . . 0.1 . . mM . . . . 15141 1 2 DSS 'natural abundance' . . . . . . . 5 10 mM . . . . 15141 1 3 'sodium acetate' 'natural abundance' . . . . . . 10 . . mM . . . . 15141 1 4 H2O . . . . . . . 90 . . % . . . . 15141 1 5 D2O . . . . . . . 10 . . % . . . . 15141 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 15141 _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' 10 . mM 15141 1 pH 5.0 . pH 15141 1 pressure 1 . atm 15141 1 temperature 298 . K 15141 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15141 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15141 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15141 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15141 _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 15141 _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 . . . 15141 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 15141 _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 '3D HNCACB' no . . . . . . . . . . 1 $Thyroid_Cancer_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15141 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $Thyroid_Cancer_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15141 1 3 '3D HNCO' no . . . . . . . . . . 1 $Thyroid_Cancer_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15141 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $Thyroid_Cancer_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15141 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 15141 _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 carbon' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 15141 1 H 1 DSS protons . . . . ppm 0 internal direct 1 . . . . . . . . . 15141 1 N 15 DSS nitrogen . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 15141 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 15141 _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 '3D HNCACB' . . . 15141 1 2 '3D CBCA(CO)NH' . . . 15141 1 3 '3D HNCO' . . . 15141 1 4 '3D C(CO)NH' . . . 15141 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 3 3 ALA C C 13 177.55 0.2 . . . . . . 3 ALA C . 15141 1 2 . 1 1 3 3 ALA CA C 13 52.38 0.2 . . . . . . 3 ALA CA . 15141 1 3 . 1 1 3 3 ALA CB C 13 19.23 0.2 . . . . . . 3 ALA CB . 15141 1 4 . 1 1 4 4 LYS H H 1 8.37 0.01 . . . . . . 4 LYS H . 15141 1 5 . 1 1 4 4 LYS C C 13 176.54 0.2 . . . . . . 4 LYS C . 15141 1 6 . 1 1 4 4 LYS CA C 13 56.39 0.2 . . . . . . 4 LYS CA . 15141 1 7 . 1 1 4 4 LYS CB C 13 33.02 0.2 . . . . . . 4 LYS CB . 15141 1 8 . 1 1 4 4 LYS N N 15 121.57 0.1 . . . . . . 4 LYS N . 15141 1 9 . 1 1 5 5 ARG CB C 13 31.13 0.2 . . . . . . 5 ARG CB . 15141 1 10 . 1 1 6 6 SER H H 1 8.42 0.01 . . . . . . 6 SER H . 15141 1 11 . 1 1 6 6 SER CA C 13 58.08 0.2 . . . . . . 6 SER CA . 15141 1 12 . 1 1 6 6 SER CB C 13 63.88 0.2 . . . . . . 6 SER CB . 15141 1 13 . 1 1 6 6 SER N N 15 117.70 0.1 . . . . . . 6 SER N . 15141 1 14 . 1 1 8 8 GLN H H 1 8.39 0.01 . . . . . . 8 GLN H . 15141 1 15 . 1 1 8 8 GLN C C 13 175.28 0.2 . . . . . . 8 GLN C . 15141 1 16 . 1 1 8 8 GLN CA C 13 55.84 0.2 . . . . . . 8 GLN CA . 15141 1 17 . 1 1 8 8 GLN CB C 13 29.57 0.2 . . . . . . 8 GLN CB . 15141 1 18 . 1 1 8 8 GLN N N 15 122.22 0.1 . . . . . . 8 GLN N . 15141 1 19 . 1 1 9 9 ALA H H 1 8.40 0.01 . . . . . . 9 ALA H . 15141 1 20 . 1 1 9 9 ALA C C 13 177.44 0.2 . . . . . . 9 ALA C . 15141 1 21 . 1 1 9 9 ALA CA C 13 52.65 0.2 . . . . . . 9 ALA CA . 15141 1 22 . 1 1 9 9 ALA CB C 13 19.33 0.2 . . . . . . 9 ALA CB . 15141 1 23 . 1 1 9 9 ALA N N 15 126.29 0.1 . . . . . . 9 ALA N . 15141 1 24 . 1 1 10 10 ILE H H 1 8.18 0.01 . . . . . . 10 ILE H . 15141 1 25 . 1 1 10 10 ILE C C 13 176.06 0.2 . . . . . . 10 ILE C . 15141 1 26 . 1 1 10 10 ILE CA C 13 61.10 0.2 . . . . . . 10 ILE CA . 15141 1 27 . 1 1 10 10 ILE CB C 13 38.86 0.2 . . . . . . 10 ILE CB . 15141 1 28 . 1 1 10 10 ILE N N 15 121.04 0.1 . . . . . . 10 ILE N . 15141 1 29 . 1 1 11 11 ILE H H 1 8.29 0.01 . . . . . . 11 ILE H . 15141 1 30 . 1 1 11 11 ILE C C 13 176.10 0.2 . . . . . . 11 ILE C . 15141 1 31 . 1 1 11 11 ILE CA C 13 60.62 0.2 . . . . . . 11 ILE CA . 15141 1 32 . 1 1 11 11 ILE CB C 13 38.53 0.2 . . . . . . 11 ILE CB . 15141 1 33 . 1 1 11 11 ILE N N 15 126.20 0.1 . . . . . . 11 ILE N . 15141 1 34 . 1 1 12 12 MET H H 1 8.52 0.01 . . . . . . 12 MET H . 15141 1 35 . 1 1 12 12 MET C C 13 176.17 0.2 . . . . . . 12 MET C . 15141 1 36 . 1 1 12 12 MET CA C 13 55.22 0.2 . . . . . . 12 MET CA . 15141 1 37 . 1 1 12 12 MET CB C 13 33.00 0.2 . . . . . . 12 MET CB . 15141 1 38 . 1 1 12 12 MET N N 15 125.63 0.1 . . . . . . 12 MET N . 15141 1 39 . 1 1 13 13 SER H H 1 8.40 0.01 . . . . . . 13 SER H . 15141 1 40 . 1 1 13 13 SER C C 13 174.89 0.2 . . . . . . 13 SER C . 15141 1 41 . 1 1 13 13 SER CA C 13 58.43 0.2 . . . . . . 13 SER CA . 15141 1 42 . 1 1 13 13 SER CB C 13 63.83 0.2 . . . . . . 13 SER CB . 15141 1 43 . 1 1 13 13 SER N N 15 117.63 0.1 . . . . . . 13 SER N . 15141 1 44 . 1 1 14 14 THR H H 1 8.24 0.01 . . . . . . 14 THR H . 15141 1 45 . 1 1 14 14 THR C C 13 174.61 0.2 . . . . . . 14 THR C . 15141 1 46 . 1 1 14 14 THR CA C 13 61.95 0.2 . . . . . . 14 THR CA . 15141 1 47 . 1 1 14 14 THR CB C 13 69.54 0.2 . . . . . . 14 THR CB . 15141 1 48 . 1 1 14 14 THR N N 15 115.94 0.1 . . . . . . 14 THR N . 15141 1 49 . 1 1 15 15 SER H H 1 8.28 0.01 . . . . . . 15 SER H . 15141 1 50 . 1 1 15 15 SER C C 13 176.08 0.2 . . . . . . 15 SER C . 15141 1 51 . 1 1 15 15 SER CA C 13 58.38 0.2 . . . . . . 15 SER CA . 15141 1 52 . 1 1 15 15 SER CB C 13 63.78 0.2 . . . . . . 15 SER CB . 15141 1 53 . 1 1 15 15 SER N N 15 118.00 0.1 . . . . . . 15 SER N . 15141 1 54 . 1 1 16 16 LEU H H 1 8.18 0.01 . . . . . . 16 LEU H . 15141 1 55 . 1 1 16 16 LEU C C 13 177.03 0.2 . . . . . . 16 LEU C . 15141 1 56 . 1 1 16 16 LEU CA C 13 55.30 0.2 . . . . . . 16 LEU CA . 15141 1 57 . 1 1 16 16 LEU CB C 13 42.43 0.2 . . . . . . 16 LEU CB . 15141 1 58 . 1 1 16 16 LEU N N 15 124.18 0.1 . . . . . . 16 LEU N . 15141 1 59 . 1 1 17 17 ARG H H 1 8.29 0.01 . . . . . . 17 ARG H . 15141 1 60 . 1 1 17 17 ARG CA C 13 56.00 0.2 . . . . . . 17 ARG CA . 15141 1 61 . 1 1 17 17 ARG CB C 13 30.69 0.2 . . . . . . 17 ARG CB . 15141 1 62 . 1 1 17 17 ARG N N 15 122.50 0.1 . . . . . . 17 ARG N . 15141 1 63 . 1 1 18 18 VAL H H 1 8.16 0.01 . . . . . . 18 VAL H . 15141 1 64 . 1 1 18 18 VAL C C 13 175.90 0.2 . . . . . . 18 VAL C . 15141 1 65 . 1 1 18 18 VAL CA C 13 61.85 0.2 . . . . . . 18 VAL CA . 15141 1 66 . 1 1 18 18 VAL CB C 13 33.18 0.2 . . . . . . 18 VAL CB . 15141 1 67 . 1 1 18 18 VAL N N 15 121.78 0.1 . . . . . . 18 VAL N . 15141 1 68 . 1 1 19 19 SER H H 1 8.48 0.01 . . . . . . 19 SER H . 15141 1 69 . 1 1 19 19 SER C C 13 174.77 0.2 . . . . . . 19 SER C . 15141 1 70 . 1 1 19 19 SER CA C 13 56.36 0.2 . . . . . . 19 SER CA . 15141 1 71 . 1 1 19 19 SER CB C 13 63.24 0.2 . . . . . . 19 SER CB . 15141 1 72 . 1 1 19 19 SER N N 15 121.60 0.1 . . . . . . 19 SER N . 15141 1 73 . 1 1 20 20 PRO C C 13 176.74 0.2 . . . . . . 20 PRO C . 15141 1 74 . 1 1 20 20 PRO CA C 13 63.32 0.2 . . . . . . 20 PRO CA . 15141 1 75 . 1 1 20 20 PRO CB C 13 32.28 0.2 . . . . . . 20 PRO CB . 15141 1 76 . 1 1 21 21 SER H H 1 8.31 0.01 . . . . . . 21 SER H . 15141 1 77 . 1 1 21 21 SER C C 13 176.77 0.2 . . . . . . 21 SER C . 15141 1 78 . 1 1 21 21 SER CA C 13 58.07 0.2 . . . . . . 21 SER CA . 15141 1 79 . 1 1 21 21 SER CB C 13 63.94 0.2 . . . . . . 21 SER CB . 15141 1 80 . 1 1 21 21 SER N N 15 115.73 0.1 . . . . . . 21 SER N . 15141 1 81 . 1 1 22 22 ILE H H 1 8.07 0.01 . . . . . . 22 ILE H . 15141 1 82 . 1 1 22 22 ILE C C 13 175.94 0.2 . . . . . . 22 ILE C . 15141 1 83 . 1 1 22 22 ILE N N 15 122.36 0.1 . . . . . . 22 ILE N . 15141 1 84 . 1 1 23 23 HIS H H 1 8.48 0.01 . . . . . . 23 HIS H . 15141 1 85 . 1 1 23 23 HIS C C 13 174.74 0.2 . . . . . . 23 HIS C . 15141 1 86 . 1 1 23 23 HIS CA C 13 55.46 0.2 . . . . . . 23 HIS CA . 15141 1 87 . 1 1 23 23 HIS CB C 13 29.45 0.2 . . . . . . 23 HIS CB . 15141 1 88 . 1 1 23 23 HIS N N 15 121.92 0.1 . . . . . . 23 HIS N . 15141 1 89 . 1 1 24 24 GLY H H 1 8.29 0.01 . . . . . . 24 GLY H . 15141 1 90 . 1 1 24 24 GLY C C 13 173.35 0.2 . . . . . . 24 GLY C . 15141 1 91 . 1 1 24 24 GLY CA C 13 45.05 0.2 . . . . . . 24 GLY CA . 15141 1 92 . 1 1 24 24 GLY N N 15 109.83 0.1 . . . . . . 24 GLY N . 15141 1 93 . 1 1 25 25 TYR H H 1 8.10 0.01 . . . . . . 25 TYR H . 15141 1 94 . 1 1 25 25 TYR C C 13 175.37 0.2 . . . . . . 25 TYR C . 15141 1 95 . 1 1 25 25 TYR CA C 13 58.04 0.2 . . . . . . 25 TYR CA . 15141 1 96 . 1 1 25 25 TYR CB C 13 39.09 0.2 . . . . . . 25 TYR CB . 15141 1 97 . 1 1 25 25 TYR N N 15 120.25 0.1 . . . . . . 25 TYR N . 15141 1 98 . 1 1 26 26 HIS H H 1 8.28 0.01 . . . . . . 26 HIS H . 15141 1 99 . 1 1 26 26 HIS C C 13 173.40 0.2 . . . . . . 26 HIS C . 15141 1 100 . 1 1 26 26 HIS CA C 13 55.21 0.2 . . . . . . 26 HIS CA . 15141 1 101 . 1 1 26 26 HIS CB C 13 29.43 0.2 . . . . . . 26 HIS CB . 15141 1 102 . 1 1 26 26 HIS N N 15 121.21 0.1 . . . . . . 26 HIS N . 15141 1 103 . 1 1 27 27 PHE CA C 13 57.91 0.2 . . . . . . 27 PHE CA . 15141 1 104 . 1 1 27 27 PHE CB C 13 39.59 0.2 . . . . . . 27 PHE CB . 15141 1 105 . 1 1 28 28 ASP H H 1 8.41 0.01 . . . . . . 28 ASP H . 15141 1 106 . 1 1 28 28 ASP C C 13 176.38 0.2 . . . . . . 28 ASP C . 15141 1 107 . 1 1 28 28 ASP CA C 13 53.85 0.2 . . . . . . 28 ASP CA . 15141 1 108 . 1 1 28 28 ASP CB C 13 41.52 0.2 . . . . . . 28 ASP CB . 15141 1 109 . 1 1 28 28 ASP N N 15 122.55 0.1 . . . . . . 28 ASP N . 15141 1 110 . 1 1 29 29 THR H H 1 8.17 0.01 . . . . . . 29 THR H . 15141 1 111 . 1 1 29 29 THR C C 13 174.96 0.2 . . . . . . 29 THR C . 15141 1 112 . 1 1 29 29 THR CA C 13 62.57 0.2 . . . . . . 29 THR CA . 15141 1 113 . 1 1 29 29 THR CB C 13 69.31 0.2 . . . . . . 29 THR CB . 15141 1 114 . 1 1 29 29 THR N N 15 115.14 0.1 . . . . . . 29 THR N . 15141 1 115 . 1 1 30 30 ALA H H 1 8.31 0.01 . . . . . . 30 ALA H . 15141 1 116 . 1 1 30 30 ALA C C 13 178.21 0.2 . . . . . . 30 ALA C . 15141 1 117 . 1 1 30 30 ALA CA C 13 53.27 0.2 . . . . . . 30 ALA CA . 15141 1 118 . 1 1 30 30 ALA CB C 13 19.06 0.2 . . . . . . 30 ALA CB . 15141 1 119 . 1 1 30 30 ALA N N 15 125.57 0.1 . . . . . . 30 ALA N . 15141 1 120 . 1 1 31 31 SER H H 1 8.13 0.01 . . . . . . 31 SER H . 15141 1 121 . 1 1 31 31 SER CA C 13 58.71 0.2 . . . . . . 31 SER CA . 15141 1 122 . 1 1 31 31 SER CB C 13 63.48 0.2 . . . . . . 31 SER CB . 15141 1 123 . 1 1 31 31 SER N N 15 114.31 0.1 . . . . . . 31 SER N . 15141 1 124 . 1 1 34 34 LYS C C 13 176.08 0.2 . . . . . . 34 LYS C . 15141 1 125 . 1 1 34 34 LYS CA C 13 55.74 0.2 . . . . . . 34 LYS CA . 15141 1 126 . 1 1 34 34 LYS CB C 13 33.16 0.2 . . . . . . 34 LYS CB . 15141 1 127 . 1 1 35 35 ALA H H 1 8.31 0.01 . . . . . . 35 ALA H . 15141 1 128 . 1 1 35 35 ALA C C 13 177.46 0.2 . . . . . . 35 ALA C . 15141 1 129 . 1 1 35 35 ALA CA C 13 52.37 0.2 . . . . . . 35 ALA CA . 15141 1 130 . 1 1 35 35 ALA CB C 13 19.24 0.2 . . . . . . 35 ALA CB . 15141 1 131 . 1 1 35 35 ALA N N 15 125.75 0.1 . . . . . . 35 ALA N . 15141 1 132 . 1 1 36 36 VAL H H 1 8.11 0.01 . . . . . . 36 VAL H . 15141 1 133 . 1 1 36 36 VAL C C 13 176.52 0.2 . . . . . . 36 VAL C . 15141 1 134 . 1 1 36 36 VAL CA C 13 62.47 0.2 . . . . . . 36 VAL CA . 15141 1 135 . 1 1 36 36 VAL CB C 13 32.93 0.2 . . . . . . 36 VAL CB . 15141 1 136 . 1 1 36 36 VAL N N 15 119.15 0.1 . . . . . . 36 VAL N . 15141 1 137 . 1 1 37 37 GLY H H 1 8.40 0.01 . . . . . . 37 GLY H . 15141 1 138 . 1 1 37 37 GLY C C 13 173.66 0.2 . . . . . . 37 GLY C . 15141 1 139 . 1 1 37 37 GLY CA C 13 45.06 0.2 . . . . . . 37 GLY CA . 15141 1 140 . 1 1 37 37 GLY N N 15 111.85 0.1 . . . . . . 37 GLY N . 15141 1 141 . 1 1 38 38 ASN H H 1 8.31 0.01 . . . . . . 38 ASN H . 15141 1 142 . 1 1 38 38 ASN C C 13 175.25 0.2 . . . . . . 38 ASN C . 15141 1 143 . 1 1 38 38 ASN CA C 13 53.21 0.2 . . . . . . 38 ASN CA . 15141 1 144 . 1 1 38 38 ASN CB C 13 38.99 0.2 . . . . . . 38 ASN CB . 15141 1 145 . 1 1 38 38 ASN N N 15 118.84 0.1 . . . . . . 38 ASN N . 15141 1 146 . 1 1 39 39 ILE H H 1 8.00 0.01 . . . . . . 39 ILE H . 15141 1 147 . 1 1 39 39 ILE C C 13 175.84 0.2 . . . . . . 39 ILE C . 15141 1 148 . 1 1 39 39 ILE CA C 13 61.72 0.2 . . . . . . 39 ILE CA . 15141 1 149 . 1 1 39 39 ILE CB C 13 38.54 0.2 . . . . . . 39 ILE CB . 15141 1 150 . 1 1 39 39 ILE N N 15 120.15 0.1 . . . . . . 39 ILE N . 15141 1 151 . 1 1 40 40 PHE H H 1 8.19 0.01 . . . . . . 40 PHE H . 15141 1 152 . 1 1 40 40 PHE C C 13 175.61 0.2 . . . . . . 40 PHE C . 15141 1 153 . 1 1 40 40 PHE CA C 13 57.87 0.2 . . . . . . 40 PHE CA . 15141 1 154 . 1 1 40 40 PHE CB C 13 39.23 0.2 . . . . . . 40 PHE CB . 15141 1 155 . 1 1 40 40 PHE N N 15 122.48 0.1 . . . . . . 40 PHE N . 15141 1 156 . 1 1 41 41 GLU H H 1 8.20 0.01 . . . . . . 41 GLU H . 15141 1 157 . 1 1 41 41 GLU C C 13 175.78 0.2 . . . . . . 41 GLU C . 15141 1 158 . 1 1 41 41 GLU CA C 13 56.40 0.2 . . . . . . 41 GLU CA . 15141 1 159 . 1 1 41 41 GLU CB C 13 30.53 0.2 . . . . . . 41 GLU CB . 15141 1 160 . 1 1 41 41 GLU N N 15 121.70 0.1 . . . . . . 41 GLU N . 15141 1 161 . 1 1 42 42 ASN H H 1 8.44 0.01 . . . . . . 42 ASN H . 15141 1 162 . 1 1 42 42 ASN C C 13 175.42 0.2 . . . . . . 42 ASN C . 15141 1 163 . 1 1 42 42 ASN CA C 13 53.44 0.2 . . . . . . 42 ASN CA . 15141 1 164 . 1 1 42 42 ASN CB C 13 38.78 0.2 . . . . . . 42 ASN CB . 15141 1 165 . 1 1 42 42 ASN N N 15 119.51 0.1 . . . . . . 42 ASN N . 15141 1 166 . 1 1 43 43 THR H H 1 8.15 0.01 . . . . . . 43 THR H . 15141 1 167 . 1 1 43 43 THR C C 13 174.46 0.2 . . . . . . 43 THR C . 15141 1 168 . 1 1 43 43 THR CA C 13 62.20 0.2 . . . . . . 43 THR CA . 15141 1 169 . 1 1 43 43 THR CB C 13 69.60 0.2 . . . . . . 43 THR CB . 15141 1 170 . 1 1 43 43 THR N N 15 113.96 0.1 . . . . . . 43 THR N . 15141 1 171 . 1 1 44 44 ASP H H 1 8.39 0.01 . . . . . . 44 ASP H . 15141 1 172 . 1 1 44 44 ASP C C 13 176.49 0.2 . . . . . . 44 ASP C . 15141 1 173 . 1 1 44 44 ASP CA C 13 54.39 0.2 . . . . . . 44 ASP CA . 15141 1 174 . 1 1 44 44 ASP CB C 13 41.04 0.2 . . . . . . 44 ASP CB . 15141 1 175 . 1 1 44 44 ASP N N 15 122.49 0.1 . . . . . . 44 ASP N . 15141 1 176 . 1 1 45 45 GLN H H 1 8.41 0.01 . . . . . . 45 GLN H . 15141 1 177 . 1 1 45 45 GLN C C 13 177.04 0.2 . . . . . . 45 GLN C . 15141 1 178 . 1 1 45 45 GLN CA C 13 57.58 0.2 . . . . . . 45 GLN CA . 15141 1 179 . 1 1 45 45 GLN CB C 13 28.90 0.2 . . . . . . 45 GLN CB . 15141 1 180 . 1 1 45 45 GLN N N 15 120.92 0.1 . . . . . . 45 GLN N . 15141 1 181 . 1 1 46 46 GLU H H 1 8.38 0.01 . . . . . . 46 GLU H . 15141 1 182 . 1 1 46 46 GLU C C 13 177.77 0.2 . . . . . . 46 GLU C . 15141 1 183 . 1 1 46 46 GLU CA C 13 58.33 0.2 . . . . . . 46 GLU CA . 15141 1 184 . 1 1 46 46 GLU CB C 13 29.45 0.2 . . . . . . 46 GLU CB . 15141 1 185 . 1 1 46 46 GLU N N 15 120.19 0.1 . . . . . . 46 GLU N . 15141 1 186 . 1 1 47 47 SER H H 1 8.14 0.01 . . . . . . 47 SER H . 15141 1 187 . 1 1 47 47 SER C C 13 175.81 0.2 . . . . . . 47 SER C . 15141 1 188 . 1 1 47 47 SER CA C 13 60.17 0.2 . . . . . . 47 SER CA . 15141 1 189 . 1 1 47 47 SER CB C 13 63.26 0.2 . . . . . . 47 SER CB . 15141 1 190 . 1 1 47 47 SER N N 15 115.80 0.1 . . . . . . 47 SER N . 15141 1 191 . 1 1 48 48 LEU H H 1 8.06 0.01 . . . . . . 48 LEU H . 15141 1 192 . 1 1 48 48 LEU C C 13 178.32 0.2 . . . . . . 48 LEU C . 15141 1 193 . 1 1 48 48 LEU CA C 13 56.85 0.2 . . . . . . 48 LEU CA . 15141 1 194 . 1 1 48 48 LEU CB C 13 41.76 0.2 . . . . . . 48 LEU CB . 15141 1 195 . 1 1 48 48 LEU N N 15 123.34 0.1 . . . . . . 48 LEU N . 15141 1 196 . 1 1 49 49 GLU H H 1 8.20 0.01 . . . . . . 49 GLU H . 15141 1 197 . 1 1 49 49 GLU C C 13 177.82 0.2 . . . . . . 49 GLU C . 15141 1 198 . 1 1 49 49 GLU CA C 13 58.39 0.2 . . . . . . 49 GLU CA . 15141 1 199 . 1 1 49 49 GLU CB C 13 29.27 0.2 . . . . . . 49 GLU CB . 15141 1 200 . 1 1 49 49 GLU N N 15 119.12 0.1 . . . . . . 49 GLU N . 15141 1 201 . 1 1 50 50 ARG H H 1 7.90 0.01 . . . . . . 50 ARG H . 15141 1 202 . 1 1 50 50 ARG C C 13 177.19 0.2 . . . . . . 50 ARG C . 15141 1 203 . 1 1 50 50 ARG CA C 13 57.76 0.2 . . . . . . 50 ARG CA . 15141 1 204 . 1 1 50 50 ARG CB C 13 30.33 0.2 . . . . . . 50 ARG CB . 15141 1 205 . 1 1 50 50 ARG N N 15 119.13 0.1 . . . . . . 50 ARG N . 15141 1 206 . 1 1 51 51 LEU H H 1 7.85 0.01 . . . . . . 51 LEU H . 15141 1 207 . 1 1 51 51 LEU C C 13 178.01 0.2 . . . . . . 51 LEU C . 15141 1 208 . 1 1 51 51 LEU CA C 13 56.21 0.2 . . . . . . 51 LEU CA . 15141 1 209 . 1 1 51 51 LEU CB C 13 42.10 0.2 . . . . . . 51 LEU CB . 15141 1 210 . 1 1 51 51 LEU N N 15 120.45 0.1 . . . . . . 51 LEU N . 15141 1 211 . 1 1 52 52 PHE H H 1 8.03 0.01 . . . . . . 52 PHE H . 15141 1 212 . 1 1 52 52 PHE C C 13 176.44 0.2 . . . . . . 52 PHE C . 15141 1 213 . 1 1 52 52 PHE CA C 13 58.17 0.2 . . . . . . 52 PHE CA . 15141 1 214 . 1 1 52 52 PHE CB C 13 39.28 0.2 . . . . . . 52 PHE CB . 15141 1 215 . 1 1 52 52 PHE N N 15 118.75 0.1 . . . . . . 52 PHE N . 15141 1 216 . 1 1 53 53 ARG H H 1 8.08 0.01 . . . . . . 53 ARG H . 15141 1 217 . 1 1 53 53 ARG C C 13 176.32 0.2 . . . . . . 53 ARG C . 15141 1 218 . 1 1 53 53 ARG CA C 13 56.98 0.2 . . . . . . 53 ARG CA . 15141 1 219 . 1 1 53 53 ARG CB C 13 30.76 0.2 . . . . . . 53 ARG CB . 15141 1 220 . 1 1 53 53 ARG N N 15 121.13 0.1 . . . . . . 53 ARG N . 15141 1 221 . 1 1 54 54 ASN H H 1 8.37 0.01 . . . . . . 54 ASN H . 15141 1 222 . 1 1 54 54 ASN C C 13 175.45 0.2 . . . . . . 54 ASN C . 15141 1 223 . 1 1 54 54 ASN CA C 13 53.50 0.2 . . . . . . 54 ASN CA . 15141 1 224 . 1 1 54 54 ASN CB C 13 38.88 0.2 . . . . . . 54 ASN CB . 15141 1 225 . 1 1 54 54 ASN N N 15 119.10 0.1 . . . . . . 54 ASN N . 15141 1 226 . 1 1 55 55 SER H H 1 8.25 0.01 . . . . . . 55 SER H . 15141 1 227 . 1 1 55 55 SER C C 13 174.81 0.2 . . . . . . 55 SER C . 15141 1 228 . 1 1 55 55 SER CA C 13 58.77 0.2 . . . . . . 55 SER CA . 15141 1 229 . 1 1 55 55 SER CB C 13 63.74 0.2 . . . . . . 55 SER CB . 15141 1 230 . 1 1 55 55 SER N N 15 116.06 0.1 . . . . . . 55 SER N . 15141 1 231 . 1 1 56 56 GLY H H 1 8.41 0.01 . . . . . . 56 GLY H . 15141 1 232 . 1 1 56 56 GLY CA C 13 45.25 0.2 . . . . . . 56 GLY CA . 15141 1 233 . 1 1 56 56 GLY N N 15 110.61 0.1 . . . . . . 56 GLY N . 15141 1 234 . 1 1 57 57 ASP C C 13 176.39 0.2 . . . . . . 57 ASP C . 15141 1 235 . 1 1 57 57 ASP CA C 13 54.38 0.2 . . . . . . 57 ASP CA . 15141 1 236 . 1 1 57 57 ASP CB C 13 41.19 0.2 . . . . . . 57 ASP CB . 15141 1 237 . 1 1 58 58 LYS H H 1 8.30 0.01 . . . . . . 58 LYS H . 15141 1 238 . 1 1 58 58 LYS CA C 13 56.88 0.2 . . . . . . 58 LYS CA . 15141 1 239 . 1 1 58 58 LYS CB C 13 32.63 0.2 . . . . . . 58 LYS CB . 15141 1 240 . 1 1 58 58 LYS N N 15 122.27 0.1 . . . . . . 58 LYS N . 15141 1 241 . 1 1 59 59 LYS C C 13 177.25 0.2 . . . . . . 59 LYS C . 15141 1 242 . 1 1 59 59 LYS CA C 13 57.01 0.2 . . . . . . 59 LYS CA . 15141 1 243 . 1 1 59 59 LYS CB C 13 32.66 0.2 . . . . . . 59 LYS CB . 15141 1 244 . 1 1 60 60 ALA H H 1 8.21 0.01 . . . . . . 60 ALA H . 15141 1 245 . 1 1 60 60 ALA C C 13 178.67 0.2 . . . . . . 60 ALA C . 15141 1 246 . 1 1 60 60 ALA CA C 13 53.75 0.2 . . . . . . 60 ALA CA . 15141 1 247 . 1 1 60 60 ALA CB C 13 18.78 0.2 . . . . . . 60 ALA CB . 15141 1 248 . 1 1 60 60 ALA N N 15 124.43 0.1 . . . . . . 60 ALA N . 15141 1 249 . 1 1 61 61 GLU H H 1 8.37 0.01 . . . . . . 61 GLU H . 15141 1 250 . 1 1 61 61 GLU C C 13 177.29 0.2 . . . . . . 61 GLU C . 15141 1 251 . 1 1 61 61 GLU CA C 13 57.30 0.2 . . . . . . 61 GLU CA . 15141 1 252 . 1 1 61 61 GLU CB C 13 29.83 0.2 . . . . . . 61 GLU CB . 15141 1 253 . 1 1 61 61 GLU N N 15 119.51 0.1 . . . . . . 61 GLU N . 15141 1 254 . 1 1 62 62 GLU H H 1 8.23 0.01 . . . . . . 62 GLU H . 15141 1 255 . 1 1 62 62 GLU CA C 13 57.44 0.2 . . . . . . 62 GLU CA . 15141 1 256 . 1 1 62 62 GLU CB C 13 29.93 0.2 . . . . . . 62 GLU CB . 15141 1 257 . 1 1 62 62 GLU N N 15 121.25 0.1 . . . . . . 62 GLU N . 15141 1 258 . 1 1 63 63 ARG C C 13 176.66 0.2 . . . . . . 63 ARG C . 15141 1 259 . 1 1 63 63 ARG CA C 13 57.10 0.2 . . . . . . 63 ARG CA . 15141 1 260 . 1 1 63 63 ARG CB C 13 30.43 0.2 . . . . . . 63 ARG CB . 15141 1 261 . 1 1 64 64 ALA H H 1 8.14 0.01 . . . . . . 64 ALA H . 15141 1 262 . 1 1 64 64 ALA C C 13 177.94 0.2 . . . . . . 64 ALA C . 15141 1 263 . 1 1 64 64 ALA CA C 13 53.26 0.2 . . . . . . 64 ALA CA . 15141 1 264 . 1 1 64 64 ALA CB C 13 18.91 0.2 . . . . . . 64 ALA CB . 15141 1 265 . 1 1 64 64 ALA N N 15 123.23 0.1 . . . . . . 64 ALA N . 15141 1 266 . 1 1 65 65 LYS H H 1 8.01 0.01 . . . . . . 65 LYS H . 15141 1 267 . 1 1 65 65 LYS C C 13 176.86 0.2 . . . . . . 65 LYS C . 15141 1 268 . 1 1 65 65 LYS CA C 13 56.94 0.2 . . . . . . 65 LYS CA . 15141 1 269 . 1 1 65 65 LYS CB C 13 32.94 0.2 . . . . . . 65 LYS CB . 15141 1 270 . 1 1 65 65 LYS N N 15 119.33 0.1 . . . . . . 65 LYS N . 15141 1 271 . 1 1 66 66 ILE H H 1 7.91 0.01 . . . . . . 66 ILE H . 15141 1 272 . 1 1 66 66 ILE C C 13 176.06 0.2 . . . . . . 66 ILE C . 15141 1 273 . 1 1 66 66 ILE CA C 13 61.71 0.2 . . . . . . 66 ILE CA . 15141 1 274 . 1 1 66 66 ILE N N 15 121.73 0.1 . . . . . . 66 ILE N . 15141 1 275 . 1 1 67 67 ILE H H 1 8.05 0.01 . . . . . . 67 ILE H . 15141 1 276 . 1 1 67 67 ILE C C 13 176.01 0.2 . . . . . . 67 ILE C . 15141 1 277 . 1 1 67 67 ILE CA C 13 61.28 0.2 . . . . . . 67 ILE CA . 15141 1 278 . 1 1 67 67 ILE CB C 13 38.56 0.2 . . . . . . 67 ILE CB . 15141 1 279 . 1 1 67 67 ILE N N 15 123.86 0.1 . . . . . . 67 ILE N . 15141 1 280 . 1 1 68 68 PHE H H 1 8.22 0.01 . . . . . . 68 PHE H . 15141 1 281 . 1 1 68 68 PHE C C 13 175.34 0.2 . . . . . . 68 PHE C . 15141 1 282 . 1 1 68 68 PHE CA C 13 57.90 0.2 . . . . . . 68 PHE CA . 15141 1 283 . 1 1 68 68 PHE CB C 13 39.66 0.2 . . . . . . 68 PHE CB . 15141 1 284 . 1 1 68 68 PHE N N 15 123.41 0.1 . . . . . . 68 PHE N . 15141 1 285 . 1 1 69 69 ALA H H 1 8.12 0.01 . . . . . . 69 ALA H . 15141 1 286 . 1 1 69 69 ALA C C 13 177.70 0.2 . . . . . . 69 ALA C . 15141 1 287 . 1 1 69 69 ALA CA C 13 52.86 0.2 . . . . . . 69 ALA CA . 15141 1 288 . 1 1 69 69 ALA CB C 13 19.35 0.2 . . . . . . 69 ALA CB . 15141 1 289 . 1 1 69 69 ALA N N 15 124.94 0.1 . . . . . . 69 ALA N . 15141 1 290 . 1 1 70 70 ILE H H 1 8.09 0.01 . . . . . . 70 ILE H . 15141 1 291 . 1 1 70 70 ILE C C 13 176.06 0.2 . . . . . . 70 ILE C . 15141 1 292 . 1 1 70 70 ILE CA C 13 61.63 0.2 . . . . . . 70 ILE CA . 15141 1 293 . 1 1 70 70 ILE CB C 13 38.96 0.2 . . . . . . 70 ILE CB . 15141 1 294 . 1 1 70 70 ILE N N 15 119.70 0.1 . . . . . . 70 ILE N . 15141 1 295 . 1 1 71 71 ASP H H 1 8.35 0.01 . . . . . . 71 ASP H . 15141 1 296 . 1 1 71 71 ASP CA C 13 54.49 0.2 . . . . . . 71 ASP CA . 15141 1 297 . 1 1 71 71 ASP CB C 13 40.69 0.2 . . . . . . 71 ASP CB . 15141 1 298 . 1 1 71 71 ASP N N 15 123.07 0.1 . . . . . . 71 ASP N . 15141 1 299 . 1 1 72 72 GLN C C 13 176.25 0.2 . . . . . . 72 GLN C . 15141 1 300 . 1 1 72 72 GLN CA C 13 56.98 0.2 . . . . . . 72 GLN CA . 15141 1 301 . 1 1 73 73 ASP H H 1 8.38 0.01 . . . . . . 73 ASP H . 15141 1 302 . 1 1 73 73 ASP CA C 13 55.02 0.2 . . . . . . 73 ASP CA . 15141 1 303 . 1 1 73 73 ASP CB C 13 41.00 0.2 . . . . . . 73 ASP CB . 15141 1 304 . 1 1 73 73 ASP N N 15 120.90 0.1 . . . . . . 73 ASP N . 15141 1 305 . 1 1 75 75 GLU C C 13 178.21 0.2 . . . . . . 75 GLU C . 15141 1 306 . 1 1 75 75 GLU CA C 13 58.80 0.2 . . . . . . 75 GLU CA . 15141 1 307 . 1 1 75 75 GLU CB C 13 29.21 0.2 . . . . . . 75 GLU CB . 15141 1 308 . 1 1 76 76 GLU H H 1 8.32 0.01 . . . . . . 76 GLU H . 15141 1 309 . 1 1 76 76 GLU C C 13 178.71 0.2 . . . . . . 76 GLU C . 15141 1 310 . 1 1 76 76 GLU CA C 13 59.02 0.2 . . . . . . 76 GLU CA . 15141 1 311 . 1 1 76 76 GLU CB C 13 29.44 0.2 . . . . . . 76 GLU CB . 15141 1 312 . 1 1 76 76 GLU N N 15 120.86 0.1 . . . . . . 76 GLU N . 15141 1 313 . 1 1 77 77 LYS H H 1 8.27 0.01 . . . . . . 77 LYS H . 15141 1 314 . 1 1 77 77 LYS C C 13 178.90 0.2 . . . . . . 77 LYS C . 15141 1 315 . 1 1 77 77 LYS CA C 13 59.13 0.2 . . . . . . 77 LYS CA . 15141 1 316 . 1 1 77 77 LYS CB C 13 32.46 0.2 . . . . . . 77 LYS CB . 15141 1 317 . 1 1 77 77 LYS N N 15 120.16 0.1 . . . . . . 77 LYS N . 15141 1 318 . 1 1 78 78 THR H H 1 8.14 0.01 . . . . . . 78 THR H . 15141 1 319 . 1 1 78 78 THR CA C 13 65.72 0.2 . . . . . . 78 THR CA . 15141 1 320 . 1 1 78 78 THR N N 15 115.41 0.1 . . . . . . 78 THR N . 15141 1 321 . 1 1 80 80 ALA H H 1 8.14 0.01 . . . . . . 80 ALA H . 15141 1 322 . 1 1 80 80 ALA CA C 13 54.59 0.2 . . . . . . 80 ALA CA . 15141 1 323 . 1 1 80 80 ALA CB C 13 18.30 0.2 . . . . . . 80 ALA CB . 15141 1 324 . 1 1 80 80 ALA N N 15 122.38 0.1 . . . . . . 80 ALA N . 15141 1 325 . 1 1 81 81 LEU H H 1 7.93 0.01 . . . . . . 81 LEU H . 15141 1 326 . 1 1 81 81 LEU C C 13 178.02 0.2 . . . . . . 81 LEU C . 15141 1 327 . 1 1 81 81 LEU CA C 13 57.19 0.2 . . . . . . 81 LEU CA . 15141 1 328 . 1 1 81 81 LEU CB C 13 42.14 0.2 . . . . . . 81 LEU CB . 15141 1 329 . 1 1 81 81 LEU N N 15 119.72 0.1 . . . . . . 81 LEU N . 15141 1 330 . 1 1 82 82 MET H H 1 8.17 0.01 . . . . . . 82 MET H . 15141 1 331 . 1 1 82 82 MET C C 13 178.12 0.2 . . . . . . 82 MET C . 15141 1 332 . 1 1 82 82 MET CA C 13 57.60 0.2 . . . . . . 82 MET CA . 15141 1 333 . 1 1 82 82 MET CB C 13 32.22 0.2 . . . . . . 82 MET CB . 15141 1 334 . 1 1 82 82 MET N N 15 118.51 0.1 . . . . . . 82 MET N . 15141 1 335 . 1 1 83 83 ALA H H 1 7.92 0.01 . . . . . . 83 ALA H . 15141 1 336 . 1 1 83 83 ALA C C 13 179.25 0.2 . . . . . . 83 ALA C . 15141 1 337 . 1 1 83 83 ALA CA C 13 54.17 0.2 . . . . . . 83 ALA CA . 15141 1 338 . 1 1 83 83 ALA CB C 13 18.14 0.2 . . . . . . 83 ALA CB . 15141 1 339 . 1 1 83 83 ALA N N 15 122.22 0.1 . . . . . . 83 ALA N . 15141 1 340 . 1 1 84 84 LEU H H 1 7.77 0.01 . . . . . . 84 LEU H . 15141 1 341 . 1 1 84 84 LEU C C 13 178.73 0.2 . . . . . . 84 LEU C . 15141 1 342 . 1 1 84 84 LEU CA C 13 56.67 0.2 . . . . . . 84 LEU CA . 15141 1 343 . 1 1 84 84 LEU CB C 13 42.27 0.2 . . . . . . 84 LEU CB . 15141 1 344 . 1 1 84 84 LEU N N 15 119.54 0.1 . . . . . . 84 LEU N . 15141 1 345 . 1 1 87 87 ARG C C 13 177.14 0.2 . . . . . . 87 ARG C . 15141 1 346 . 1 1 87 87 ARG CA C 13 57.21 0.2 . . . . . . 87 ARG CA . 15141 1 347 . 1 1 87 87 ARG CB C 13 30.40 0.2 . . . . . . 87 ARG CB . 15141 1 348 . 1 1 88 88 THR H H 1 8.03 0.01 . . . . . . 88 THR H . 15141 1 349 . 1 1 88 88 THR CA C 13 63.02 0.2 . . . . . . 88 THR CA . 15141 1 350 . 1 1 88 88 THR CB C 13 69.85 0.2 . . . . . . 88 THR CB . 15141 1 351 . 1 1 88 88 THR N N 15 114.69 0.1 . . . . . . 88 THR N . 15141 1 352 . 1 1 89 89 LYS H H 1 8.26 0.01 . . . . . . 89 LYS H . 15141 1 353 . 1 1 89 89 LYS N N 15 122.79 0.1 . . . . . . 89 LYS N . 15141 1 354 . 1 1 96 96 LEU H H 1 8.04 0.01 . . . . . . 96 LEU H . 15141 1 355 . 1 1 96 96 LEU CA C 13 55.79 0.2 . . . . . . 96 LEU CA . 15141 1 356 . 1 1 96 96 LEU N N 15 121.79 0.1 . . . . . . 96 LEU N . 15141 1 357 . 1 1 100 100 LYS CA C 13 56.57 0.2 . . . . . . 100 LYS CA . 15141 1 358 . 1 1 100 100 LYS CB C 13 33.04 0.2 . . . . . . 100 LYS CB . 15141 1 359 . 1 1 101 101 TYR H H 1 8.12 0.01 . . . . . . 101 TYR H . 15141 1 360 . 1 1 101 101 TYR C C 13 175.49 0.2 . . . . . . 101 TYR C . 15141 1 361 . 1 1 101 101 TYR CA C 13 57.51 0.2 . . . . . . 101 TYR CA . 15141 1 362 . 1 1 101 101 TYR CB C 13 39.20 0.2 . . . . . . 101 TYR CB . 15141 1 363 . 1 1 101 101 TYR N N 15 120.82 0.1 . . . . . . 101 TYR N . 15141 1 364 . 1 1 102 102 SER H H 1 8.19 0.01 . . . . . . 102 SER H . 15141 1 365 . 1 1 102 102 SER CA C 13 57.90 0.2 . . . . . . 102 SER CA . 15141 1 366 . 1 1 102 102 SER CB C 13 63.95 0.2 . . . . . . 102 SER CB . 15141 1 367 . 1 1 102 102 SER N N 15 117.46 0.1 . . . . . . 102 SER N . 15141 1 368 . 1 1 103 103 ILE H H 1 8.07 0.01 . . . . . . 103 ILE H . 15141 1 369 . 1 1 103 103 ILE C C 13 175.82 0.2 . . . . . . 103 ILE C . 15141 1 370 . 1 1 103 103 ILE CA C 13 61.13 0.2 . . . . . . 103 ILE CA . 15141 1 371 . 1 1 103 103 ILE CB C 13 38.92 0.2 . . . . . . 103 ILE CB . 15141 1 372 . 1 1 103 103 ILE N N 15 122.36 0.1 . . . . . . 103 ILE N . 15141 1 373 . 1 1 104 104 LYS H H 1 8.35 0.01 . . . . . . 104 LYS H . 15141 1 374 . 1 1 104 104 LYS CA C 13 56.15 0.2 . . . . . . 104 LYS CA . 15141 1 375 . 1 1 104 104 LYS CB C 13 33.15 0.2 . . . . . . 104 LYS CB . 15141 1 376 . 1 1 104 104 LYS N N 15 125.69 0.1 . . . . . . 104 LYS N . 15141 1 377 . 1 1 105 105 VAL C C 13 175.22 0.2 . . . . . . 105 VAL C . 15141 1 378 . 1 1 105 105 VAL CA C 13 62.61 0.2 . . . . . . 105 VAL CA . 15141 1 379 . 1 1 105 105 VAL CB C 13 32.70 0.2 . . . . . . 105 VAL CB . 15141 1 380 . 1 1 106 106 HIS H H 1 8.00 0.01 . . . . . . 106 HIS H . 15141 1 381 . 1 1 106 106 HIS CA C 13 56.99 0.2 . . . . . . 106 HIS CA . 15141 1 382 . 1 1 106 106 HIS CB C 13 30.08 0.2 . . . . . . 106 HIS CB . 15141 1 383 . 1 1 106 106 HIS N N 15 125.92 0.1 . . . . . . 106 HIS N . 15141 1 stop_ save_