data_15795 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15795 _Entry.Title ; NMR structure of the c-terminal domain of a multiprotein bridging factor 1 (MBF1) of Trichoderma reesei ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-06-04 _Entry.Accession_date 2008-06-04 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'NMR structure of the c-terminal domain of a multiprotein bridging factor 1 (MBF1) of Trichoderma reesei' _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 Roberto 'Kopke Salinas' . . . 15795 2 Cesar Camilo . M. . 15795 3 Simona Tomaselli . . . 15795 4 Estela Valencia . Y. . 15795 5 Chuck Farah . S. . 15795 6 Hamza El-Dorry . . . 15795 7 Chambergo Felipe . S. . 15795 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15795 heteronucl_NOEs 1 15795 heteronucl_T1_relaxation 1 15795 heteronucl_T2_relaxation 1 15795 H_exch_protection_factors 1 15795 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 424 15795 '15N chemical shifts' 107 15795 '1H chemical shifts' 580 15795 'heteronuclear NOE values' 82 15795 'H exchange protection factors' 34 15795 'T1 relaxation values' 71 15795 'T2 relaxation values' 71 15795 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 3 . . 2009-05-04 2008-06-04 update BMRB 'complete entry citation' 15795 2 . . 2008-10-22 2008-06-04 update BMRB 'chemical shift tag insertion' 15795 1 . . 2008-07-24 2008-06-04 original author 'Original release' 15795 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JVL 'NMR structure of the C-terminal domain of multiprotein bridging factor 1 (MBF1) of Trichoderma reesei' 15795 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15795 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19137618 _Citation.Full_citation . _Citation.Title 'Solution structure of the C-terminal domain of multiprotein bridging factor 1 (MBF1) of Trichoderma reesei' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 75 _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 518 _Citation.Page_last 523 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Roberto Salinas . K. . 15795 1 2 Cesar Camilo . M. . 15795 1 3 Simona Tomaselli . . . 15795 1 4 Estela Valencia . Y. . 15795 1 5 Chuck Farah . S. . 15795 1 6 Hamza El-Dorry . . . 15795 1 7 Felipe Chambergo . S. . 15795 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'backbone dynamics' 15795 1 MBF1 15795 1 'Protein structure' 15795 1 'transcription co-activators' 15795 1 'Trichoderma reesei' 15795 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15795 _Assembly.ID 1 _Assembly.Name MBF1 _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 MBF1 1 $MBF1 A . yes native no no . . . 15795 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2JVL . . 'solution NMR' . . . 15795 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MBF1 _Entity.Sf_category entity _Entity.Sf_framecode MBF1 _Entity.Entry_ID 15795 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MBF1 _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 ; GAMDPEFAGGTEGQRLTKVD RSDDIIKPKTVGKEVGKAIE QGRQKFEPTMTQAELGKEIG ETAATVASYERGTATPDQNI LSKMERVLNVKLRGANIGAP RLGPKKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'The amino acid sequence corresponds to residues 56-155 of the full length MBF1.' _Entity.Polymer_author_seq_details 'The protein construction has a fusion of 7 extra amino acids (GAMDPEF) due to the expression vector. Therefore, Ala8 corresponds to Ala56 in the full length protein.' _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 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment Ctd-TrMBF1 _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 PDB 2JVL . "Nmr Structure Of The C-Terminal Domain Of Mbf1 Of Trichoderm" . . . . . 100.00 107 100.00 100.00 1.26e-68 . . . . 15795 1 2 no GB EGR47693 . "multiprotein bridging factor-like protein [Trichoderma reesei QM6a]" . . . . . 93.46 155 99.00 100.00 3.86e-62 . . . . 15795 1 3 no GB ETS01125 . "multi protein bridging factor 1 [Trichoderma reesei RUT C-30]" . . . . . 93.46 155 99.00 100.00 3.86e-62 . . . . 15795 1 4 no REF XP_006966326 . "multiprotein bridging factor-like protein [Trichoderma reesei QM6a]" . . . . . 93.46 155 99.00 100.00 3.86e-62 . . . . 15795 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Transcription co-activator' 15795 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 . GLY . 15795 1 2 . ALA . 15795 1 3 . MET . 15795 1 4 . ASP . 15795 1 5 . PRO . 15795 1 6 . GLU . 15795 1 7 . PHE . 15795 1 8 . ALA . 15795 1 9 . GLY . 15795 1 10 . GLY . 15795 1 11 . THR . 15795 1 12 . GLU . 15795 1 13 . GLY . 15795 1 14 . GLN . 15795 1 15 . ARG . 15795 1 16 . LEU . 15795 1 17 . THR . 15795 1 18 . LYS . 15795 1 19 . VAL . 15795 1 20 . ASP . 15795 1 21 . ARG . 15795 1 22 . SER . 15795 1 23 . ASP . 15795 1 24 . ASP . 15795 1 25 . ILE . 15795 1 26 . ILE . 15795 1 27 . LYS . 15795 1 28 . PRO . 15795 1 29 . LYS . 15795 1 30 . THR . 15795 1 31 . VAL . 15795 1 32 . GLY . 15795 1 33 . LYS . 15795 1 34 . GLU . 15795 1 35 . VAL . 15795 1 36 . GLY . 15795 1 37 . LYS . 15795 1 38 . ALA . 15795 1 39 . ILE . 15795 1 40 . GLU . 15795 1 41 . GLN . 15795 1 42 . GLY . 15795 1 43 . ARG . 15795 1 44 . GLN . 15795 1 45 . LYS . 15795 1 46 . PHE . 15795 1 47 . GLU . 15795 1 48 . PRO . 15795 1 49 . THR . 15795 1 50 . MET . 15795 1 51 . THR . 15795 1 52 . GLN . 15795 1 53 . ALA . 15795 1 54 . GLU . 15795 1 55 . LEU . 15795 1 56 . GLY . 15795 1 57 . LYS . 15795 1 58 . GLU . 15795 1 59 . ILE . 15795 1 60 . GLY . 15795 1 61 . GLU . 15795 1 62 . THR . 15795 1 63 . ALA . 15795 1 64 . ALA . 15795 1 65 . THR . 15795 1 66 . VAL . 15795 1 67 . ALA . 15795 1 68 . SER . 15795 1 69 . TYR . 15795 1 70 . GLU . 15795 1 71 . ARG . 15795 1 72 . GLY . 15795 1 73 . THR . 15795 1 74 . ALA . 15795 1 75 . THR . 15795 1 76 . PRO . 15795 1 77 . ASP . 15795 1 78 . GLN . 15795 1 79 . ASN . 15795 1 80 . ILE . 15795 1 81 . LEU . 15795 1 82 . SER . 15795 1 83 . LYS . 15795 1 84 . MET . 15795 1 85 . GLU . 15795 1 86 . ARG . 15795 1 87 . VAL . 15795 1 88 . LEU . 15795 1 89 . ASN . 15795 1 90 . VAL . 15795 1 91 . LYS . 15795 1 92 . LEU . 15795 1 93 . ARG . 15795 1 94 . GLY . 15795 1 95 . ALA . 15795 1 96 . ASN . 15795 1 97 . ILE . 15795 1 98 . GLY . 15795 1 99 . ALA . 15795 1 100 . PRO . 15795 1 101 . ARG . 15795 1 102 . LEU . 15795 1 103 . GLY . 15795 1 104 . PRO . 15795 1 105 . LYS . 15795 1 106 . LYS . 15795 1 107 . LYS . 15795 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 15795 1 . ALA 2 2 15795 1 . MET 3 3 15795 1 . ASP 4 4 15795 1 . PRO 5 5 15795 1 . GLU 6 6 15795 1 . PHE 7 7 15795 1 . ALA 8 8 15795 1 . GLY 9 9 15795 1 . GLY 10 10 15795 1 . THR 11 11 15795 1 . GLU 12 12 15795 1 . GLY 13 13 15795 1 . GLN 14 14 15795 1 . ARG 15 15 15795 1 . LEU 16 16 15795 1 . THR 17 17 15795 1 . LYS 18 18 15795 1 . VAL 19 19 15795 1 . ASP 20 20 15795 1 . ARG 21 21 15795 1 . SER 22 22 15795 1 . ASP 23 23 15795 1 . ASP 24 24 15795 1 . ILE 25 25 15795 1 . ILE 26 26 15795 1 . LYS 27 27 15795 1 . PRO 28 28 15795 1 . LYS 29 29 15795 1 . THR 30 30 15795 1 . VAL 31 31 15795 1 . GLY 32 32 15795 1 . LYS 33 33 15795 1 . GLU 34 34 15795 1 . VAL 35 35 15795 1 . GLY 36 36 15795 1 . LYS 37 37 15795 1 . ALA 38 38 15795 1 . ILE 39 39 15795 1 . GLU 40 40 15795 1 . GLN 41 41 15795 1 . GLY 42 42 15795 1 . ARG 43 43 15795 1 . GLN 44 44 15795 1 . LYS 45 45 15795 1 . PHE 46 46 15795 1 . GLU 47 47 15795 1 . PRO 48 48 15795 1 . THR 49 49 15795 1 . MET 50 50 15795 1 . THR 51 51 15795 1 . GLN 52 52 15795 1 . ALA 53 53 15795 1 . GLU 54 54 15795 1 . LEU 55 55 15795 1 . GLY 56 56 15795 1 . LYS 57 57 15795 1 . GLU 58 58 15795 1 . ILE 59 59 15795 1 . GLY 60 60 15795 1 . GLU 61 61 15795 1 . THR 62 62 15795 1 . ALA 63 63 15795 1 . ALA 64 64 15795 1 . THR 65 65 15795 1 . VAL 66 66 15795 1 . ALA 67 67 15795 1 . SER 68 68 15795 1 . TYR 69 69 15795 1 . GLU 70 70 15795 1 . ARG 71 71 15795 1 . GLY 72 72 15795 1 . THR 73 73 15795 1 . ALA 74 74 15795 1 . THR 75 75 15795 1 . PRO 76 76 15795 1 . ASP 77 77 15795 1 . GLN 78 78 15795 1 . ASN 79 79 15795 1 . ILE 80 80 15795 1 . LEU 81 81 15795 1 . SER 82 82 15795 1 . LYS 83 83 15795 1 . MET 84 84 15795 1 . GLU 85 85 15795 1 . ARG 86 86 15795 1 . VAL 87 87 15795 1 . LEU 88 88 15795 1 . ASN 89 89 15795 1 . VAL 90 90 15795 1 . LYS 91 91 15795 1 . LEU 92 92 15795 1 . ARG 93 93 15795 1 . GLY 94 94 15795 1 . ALA 95 95 15795 1 . ASN 96 96 15795 1 . ILE 97 97 15795 1 . GLY 98 98 15795 1 . ALA 99 99 15795 1 . PRO 100 100 15795 1 . ARG 101 101 15795 1 . LEU 102 102 15795 1 . GLY 103 103 15795 1 . PRO 104 104 15795 1 . LYS 105 105 15795 1 . LYS 106 106 15795 1 . LYS 107 107 15795 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 15795 _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 $MBF1 . 562 organism . 'Escherichia coli' . . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 15795 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 15795 _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 $MBF1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pPROEX-HTa . . . . . . 15795 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15795 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM protein, 10 mM sodium phosphate pH 6.0, 50 mM sodium chloride' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 MBF1 '[U-99% 13C; U-99% 15N]' . . 1 $MBF1 . . 1 . . mM . . . . 15795 1 2 'sodium phosphate' . . . . . . . 10 . . mM . . . . 15795 1 3 'sodium chloride' . . . . . . . 50 . . mM . . . . 15795 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15795 1 5 D2O . . . . . . . 5 . . % . . . . 15795 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 15795 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 15795 1 pH 6.0 . pH 15795 1 pressure 1 . atm 15795 1 temperature 298 . K 15795 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15795 _Software.ID 1 _Software.Name NMRView _Software.Version 5.2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 15795 1 'Johnson, One Moon Scientific' . . 15795 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15795 1 'chemical shift assignment' 15795 1 'peak picking' 15795 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 15795 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15795 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 15795 _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 . . . 15795 1 2 spectrometer_2 Bruker DRX . 500 . . . 15795 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 15795 _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 . . . . . . . . . . . . . . . . 15795 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15795 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15795 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15795 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15795 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15795 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15795 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15795 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15795 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15795 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15795 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 15795 _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 water protons . . . . ppm 1.0 na indirect 0.251449530 . . . . . . . . . 15795 1 H 1 water protons . . . . ppm 4.745 internal direct 1.0 . . . . . . . . . 15795 1 N 15 water protons . . . . ppm 1.0 na indirect 0.101329118 . . . . . . . . . 15795 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 15795 _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' . . . 15795 1 2 '2D 1H-13C HSQC' . . . 15795 1 3 '3D CBCA(CO)NH' . . . 15795 1 4 '3D HNCACB' . . . 15795 1 5 '3D HNCO' . . . 15795 1 6 '3D HNCA' . . . 15795 1 7 '3D HN(CO)CA' . . . 15795 1 8 '3D HBHA(CO)NH' . . . 15795 1 9 '3D HCCH-TOCSY' . . . 15795 1 10 '3D 1H-15N NOESY' . . . 15795 1 11 '3D 1H-13C NOESY' . . . 15795 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRView . . 15795 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.213 0.050 . 1 . . . . 2 ALA HA . 15795 1 2 . 1 1 2 2 ALA HB1 H 1 1.352 0.050 . 1 . . . . 2 ALA HB1 . 15795 1 3 . 1 1 2 2 ALA HB2 H 1 1.352 0.050 . 1 . . . . 2 ALA HB2 . 15795 1 4 . 1 1 2 2 ALA HB3 H 1 1.352 0.050 . 1 . . . . 2 ALA HB3 . 15795 1 5 . 1 1 2 2 ALA C C 13 177.824 0.050 . 1 . . . . 2 ALA C . 15795 1 6 . 1 1 2 2 ALA CA C 13 53.102 0.050 . 1 . . . . 2 ALA CA . 15795 1 7 . 1 1 2 2 ALA CB C 13 19.252 0.050 . 1 . . . . 2 ALA CB . 15795 1 8 . 1 1 3 3 MET H H 1 8.442 0.003 . 1 . . . . 3 MET H . 15795 1 9 . 1 1 3 3 MET HA H 1 4.472 0.006 . 1 . . . . 3 MET HA . 15795 1 10 . 1 1 3 3 MET HB2 H 1 2.084 0.005 . 2 . . . . 3 MET HB2 . 15795 1 11 . 1 1 3 3 MET HB3 H 1 1.963 0.004 . 2 . . . . 3 MET HB3 . 15795 1 12 . 1 1 3 3 MET HG2 H 1 2.569 0.002 . 2 . . . . 3 MET HG2 . 15795 1 13 . 1 1 3 3 MET HG3 H 1 2.487 0.002 . 2 . . . . 3 MET HG3 . 15795 1 14 . 1 1 3 3 MET C C 13 175.721 0.050 . 1 . . . . 3 MET C . 15795 1 15 . 1 1 3 3 MET CA C 13 55.038 0.019 . 1 . . . . 3 MET CA . 15795 1 16 . 1 1 3 3 MET CB C 13 32.524 0.111 . 1 . . . . 3 MET CB . 15795 1 17 . 1 1 3 3 MET CG C 13 32.106 0.128 . 1 . . . . 3 MET CG . 15795 1 18 . 1 1 3 3 MET N N 15 118.096 0.034 . 1 . . . . 3 MET N . 15795 1 19 . 1 1 4 4 ASP H H 1 8.127 0.006 . 1 . . . . 4 ASP H . 15795 1 20 . 1 1 4 4 ASP HA H 1 4.826 0.004 . 1 . . . . 4 ASP HA . 15795 1 21 . 1 1 4 4 ASP HB2 H 1 2.733 0.006 . 2 . . . . 4 ASP HB2 . 15795 1 22 . 1 1 4 4 ASP HB3 H 1 2.545 0.004 . 2 . . . . 4 ASP HB3 . 15795 1 23 . 1 1 4 4 ASP CA C 13 52.717 0.050 . 1 . . . . 4 ASP CA . 15795 1 24 . 1 1 4 4 ASP CB C 13 40.895 0.069 . 1 . . . . 4 ASP CB . 15795 1 25 . 1 1 4 4 ASP N N 15 123.061 0.032 . 1 . . . . 4 ASP N . 15795 1 26 . 1 1 5 5 PRO HA H 1 4.354 0.004 . 1 . . . . 5 PRO HA . 15795 1 27 . 1 1 5 5 PRO HB2 H 1 2.246 0.005 . 2 . . . . 5 PRO HB2 . 15795 1 28 . 1 1 5 5 PRO HB3 H 1 1.850 0.007 . 2 . . . . 5 PRO HB3 . 15795 1 29 . 1 1 5 5 PRO HD2 H 1 3.835 0.004 . 2 . . . . 5 PRO HD2 . 15795 1 30 . 1 1 5 5 PRO HD3 H 1 3.740 0.004 . 2 . . . . 5 PRO HD3 . 15795 1 31 . 1 1 5 5 PRO HG2 H 1 1.991 0.002 . 1 . . . . 5 PRO HG2 . 15795 1 32 . 1 1 5 5 PRO CA C 13 63.602 0.050 . 1 . . . . 5 PRO CA . 15795 1 33 . 1 1 5 5 PRO CB C 13 32.027 0.061 . 1 . . . . 5 PRO CB . 15795 1 34 . 1 1 5 5 PRO CD C 13 50.714 0.059 . 1 . . . . 5 PRO CD . 15795 1 35 . 1 1 5 5 PRO CG C 13 27.350 0.004 . 1 . . . . 5 PRO CG . 15795 1 36 . 1 1 6 6 GLU H H 1 8.508 0.005 . 1 . . . . 6 GLU H . 15795 1 37 . 1 1 6 6 GLU HA H 1 4.120 0.009 . 1 . . . . 6 GLU HA . 15795 1 38 . 1 1 6 6 GLU HB2 H 1 1.848 0.003 . 1 . . . . 6 GLU HB2 . 15795 1 39 . 1 1 6 6 GLU HG2 H 1 2.140 0.006 . 2 . . . . 6 GLU HG2 . 15795 1 40 . 1 1 6 6 GLU HG3 H 1 2.023 0.003 . 2 . . . . 6 GLU HG3 . 15795 1 41 . 1 1 6 6 GLU C C 13 176.480 0.050 . 1 . . . . 6 GLU C . 15795 1 42 . 1 1 6 6 GLU CA C 13 56.990 0.008 . 1 . . . . 6 GLU CA . 15795 1 43 . 1 1 6 6 GLU CB C 13 29.978 0.063 . 1 . . . . 6 GLU CB . 15795 1 44 . 1 1 6 6 GLU CG C 13 36.290 0.051 . 1 . . . . 6 GLU CG . 15795 1 45 . 1 1 6 6 GLU N N 15 119.812 0.040 . 1 . . . . 6 GLU N . 15795 1 46 . 1 1 7 7 PHE H H 1 8.051 0.008 . 1 . . . . 7 PHE H . 15795 1 47 . 1 1 7 7 PHE HA H 1 4.583 0.004 . 1 . . . . 7 PHE HA . 15795 1 48 . 1 1 7 7 PHE HB2 H 1 3.137 0.006 . 2 . . . . 7 PHE HB2 . 15795 1 49 . 1 1 7 7 PHE HB3 H 1 3.015 0.002 . 2 . . . . 7 PHE HB3 . 15795 1 50 . 1 1 7 7 PHE C C 13 175.678 0.050 . 1 . . . . 7 PHE C . 15795 1 51 . 1 1 7 7 PHE CA C 13 57.677 0.041 . 1 . . . . 7 PHE CA . 15795 1 52 . 1 1 7 7 PHE CB C 13 39.603 0.053 . 1 . . . . 7 PHE CB . 15795 1 53 . 1 1 7 7 PHE N N 15 120.360 0.035 . 1 . . . . 7 PHE N . 15795 1 54 . 1 1 8 8 ALA H H 1 8.191 0.007 . 1 . . . . 8 ALA H . 15795 1 55 . 1 1 8 8 ALA HA H 1 4.285 0.007 . 1 . . . . 8 ALA HA . 15795 1 56 . 1 1 8 8 ALA HB1 H 1 1.323 0.005 . 1 . . . . 8 ALA HB1 . 15795 1 57 . 1 1 8 8 ALA HB2 H 1 1.323 0.005 . 1 . . . . 8 ALA HB2 . 15795 1 58 . 1 1 8 8 ALA HB3 H 1 1.323 0.005 . 1 . . . . 8 ALA HB3 . 15795 1 59 . 1 1 8 8 ALA C C 13 177.857 0.006 . 1 . . . . 8 ALA C . 15795 1 60 . 1 1 8 8 ALA CA C 13 52.618 0.018 . 1 . . . . 8 ALA CA . 15795 1 61 . 1 1 8 8 ALA CB C 13 19.207 0.066 . 1 . . . . 8 ALA CB . 15795 1 62 . 1 1 8 8 ALA N N 15 126.186 0.059 . 1 . . . . 8 ALA N . 15795 1 63 . 1 1 9 9 GLY H H 1 7.863 0.009 . 1 . . . . 9 GLY H . 15795 1 64 . 1 1 9 9 GLY HA2 H 1 3.901 0.002 . 1 . . . . 9 GLY HA2 . 15795 1 65 . 1 1 9 9 GLY C C 13 174.674 0.009 . 1 . . . . 9 GLY C . 15795 1 66 . 1 1 9 9 GLY CA C 13 45.436 0.052 . 1 . . . . 9 GLY CA . 15795 1 67 . 1 1 9 9 GLY N N 15 107.556 0.028 . 1 . . . . 9 GLY N . 15795 1 68 . 1 1 10 10 GLY H H 1 8.235 0.007 . 1 . . . . 10 GLY H . 15795 1 69 . 1 1 10 10 GLY HA2 H 1 4.041 0.003 . 1 . . . . 10 GLY HA2 . 15795 1 70 . 1 1 10 10 GLY CA C 13 45.324 0.029 . 1 . . . . 10 GLY CA . 15795 1 71 . 1 1 10 10 GLY N N 15 108.814 0.038 . 1 . . . . 10 GLY N . 15795 1 72 . 1 1 11 11 THR H H 1 8.144 0.008 . 1 . . . . 11 THR H . 15795 1 73 . 1 1 11 11 THR HA H 1 4.325 0.007 . 1 . . . . 11 THR HA . 15795 1 74 . 1 1 11 11 THR HB H 1 4.327 0.004 . 1 . . . . 11 THR HB . 15795 1 75 . 1 1 11 11 THR HG21 H 1 1.170 0.004 . 1 . . . . 11 THR HG21 . 15795 1 76 . 1 1 11 11 THR HG22 H 1 1.170 0.004 . 1 . . . . 11 THR HG22 . 15795 1 77 . 1 1 11 11 THR HG23 H 1 1.170 0.004 . 1 . . . . 11 THR HG23 . 15795 1 78 . 1 1 11 11 THR C C 13 175.198 0.050 . 1 . . . . 11 THR C . 15795 1 79 . 1 1 11 11 THR CA C 13 62.096 0.025 . 1 . . . . 11 THR CA . 15795 1 80 . 1 1 11 11 THR CB C 13 69.777 0.016 . 1 . . . . 11 THR CB . 15795 1 81 . 1 1 11 11 THR CG2 C 13 21.530 0.195 . 1 . . . . 11 THR CG2 . 15795 1 82 . 1 1 11 11 THR N N 15 113.128 0.053 . 1 . . . . 11 THR N . 15795 1 83 . 1 1 12 12 GLU H H 1 8.603 0.007 . 1 . . . . 12 GLU H . 15795 1 84 . 1 1 12 12 GLU HA H 1 4.216 0.003 . 1 . . . . 12 GLU HA . 15795 1 85 . 1 1 12 12 GLU HB2 H 1 1.964 0.009 . 1 . . . . 12 GLU HB2 . 15795 1 86 . 1 1 12 12 GLU HG2 H 1 2.253 0.005 . 1 . . . . 12 GLU HG2 . 15795 1 87 . 1 1 12 12 GLU C C 13 177.318 0.050 . 1 . . . . 12 GLU C . 15795 1 88 . 1 1 12 12 GLU CA C 13 57.420 0.014 . 1 . . . . 12 GLU CA . 15795 1 89 . 1 1 12 12 GLU CB C 13 29.809 0.023 . 1 . . . . 12 GLU CB . 15795 1 90 . 1 1 12 12 GLU CG C 13 36.284 0.020 . 1 . . . . 12 GLU CG . 15795 1 91 . 1 1 12 12 GLU N N 15 123.091 0.056 . 1 . . . . 12 GLU N . 15795 1 92 . 1 1 13 13 GLY H H 1 8.367 0.007 . 1 . . . . 13 GLY H . 15795 1 93 . 1 1 13 13 GLY HA2 H 1 3.902 0.002 . 1 . . . . 13 GLY HA2 . 15795 1 94 . 1 1 13 13 GLY C C 13 174.379 0.050 . 1 . . . . 13 GLY C . 15795 1 95 . 1 1 13 13 GLY CA C 13 45.472 0.097 . 1 . . . . 13 GLY CA . 15795 1 96 . 1 1 13 13 GLY N N 15 109.412 0.052 . 1 . . . . 13 GLY N . 15795 1 97 . 1 1 14 14 GLN H H 1 8.106 0.002 . 1 . . . . 14 GLN H . 15795 1 98 . 1 1 14 14 GLN HA H 1 4.288 0.006 . 1 . . . . 14 GLN HA . 15795 1 99 . 1 1 14 14 GLN HB2 H 1 2.073 0.005 . 2 . . . . 14 GLN HB2 . 15795 1 100 . 1 1 14 14 GLN HB3 H 1 1.964 0.003 . 2 . . . . 14 GLN HB3 . 15795 1 101 . 1 1 14 14 GLN HG2 H 1 2.326 0.006 . 1 . . . . 14 GLN HG2 . 15795 1 102 . 1 1 14 14 GLN C C 13 176.094 0.050 . 1 . . . . 14 GLN C . 15795 1 103 . 1 1 14 14 GLN CA C 13 56.034 0.017 . 1 . . . . 14 GLN CA . 15795 1 104 . 1 1 14 14 GLN CB C 13 29.442 0.047 . 1 . . . . 14 GLN CB . 15795 1 105 . 1 1 14 14 GLN CG C 13 33.836 0.011 . 1 . . . . 14 GLN CG . 15795 1 106 . 1 1 14 14 GLN N N 15 119.730 0.022 . 1 . . . . 14 GLN N . 15795 1 107 . 1 1 15 15 ARG H H 1 8.289 0.002 . 1 . . . . 15 ARG H . 15795 1 108 . 1 1 15 15 ARG HA H 1 4.305 0.008 . 1 . . . . 15 ARG HA . 15795 1 109 . 1 1 15 15 ARG HB2 H 1 1.750 0.010 . 2 . . . . 15 ARG HB2 . 15795 1 110 . 1 1 15 15 ARG HB3 H 1 1.815 0.012 . 2 . . . . 15 ARG HB3 . 15795 1 111 . 1 1 15 15 ARG HD2 H 1 3.168 0.009 . 1 . . . . 15 ARG HD2 . 15795 1 112 . 1 1 15 15 ARG HG2 H 1 1.609 0.005 . 1 . . . . 15 ARG HG2 . 15795 1 113 . 1 1 15 15 ARG CA C 13 56.261 0.058 . 1 . . . . 15 ARG CA . 15795 1 114 . 1 1 15 15 ARG CB C 13 30.697 0.050 . 1 . . . . 15 ARG CB . 15795 1 115 . 1 1 15 15 ARG CD C 13 43.311 0.055 . 1 . . . . 15 ARG CD . 15795 1 116 . 1 1 15 15 ARG CG C 13 27.064 0.070 . 1 . . . . 15 ARG CG . 15795 1 117 . 1 1 15 15 ARG N N 15 121.993 0.031 . 1 . . . . 15 ARG N . 15795 1 118 . 1 1 16 16 LEU H H 1 8.272 0.005 . 1 . . . . 16 LEU H . 15795 1 119 . 1 1 16 16 LEU HA H 1 4.394 0.010 . 1 . . . . 16 LEU HA . 15795 1 120 . 1 1 16 16 LEU HB2 H 1 1.625 0.020 . 2 . . . . 16 LEU HB2 . 15795 1 121 . 1 1 16 16 LEU HB3 H 1 1.593 0.015 . 2 . . . . 16 LEU HB3 . 15795 1 122 . 1 1 16 16 LEU HD11 H 1 0.900 0.008 . 2 . . . . 16 LEU HD11 . 15795 1 123 . 1 1 16 16 LEU HD12 H 1 0.900 0.008 . 2 . . . . 16 LEU HD12 . 15795 1 124 . 1 1 16 16 LEU HD13 H 1 0.900 0.008 . 2 . . . . 16 LEU HD13 . 15795 1 125 . 1 1 16 16 LEU HD21 H 1 0.852 0.017 . 2 . . . . 16 LEU HD21 . 15795 1 126 . 1 1 16 16 LEU HD22 H 1 0.852 0.017 . 2 . . . . 16 LEU HD22 . 15795 1 127 . 1 1 16 16 LEU HD23 H 1 0.852 0.017 . 2 . . . . 16 LEU HD23 . 15795 1 128 . 1 1 16 16 LEU CA C 13 55.220 0.015 . 1 . . . . 16 LEU CA . 15795 1 129 . 1 1 16 16 LEU CB C 13 42.421 0.063 . 1 . . . . 16 LEU CB . 15795 1 130 . 1 1 16 16 LEU CD1 C 13 24.993 0.052 . 2 . . . . 16 LEU CD1 . 15795 1 131 . 1 1 16 16 LEU CD2 C 13 23.365 0.033 . 2 . . . . 16 LEU CD2 . 15795 1 132 . 1 1 16 16 LEU CG C 13 27.058 0.057 . 1 . . . . 16 LEU CG . 15795 1 133 . 1 1 16 16 LEU N N 15 123.126 0.056 . 1 . . . . 16 LEU N . 15795 1 134 . 1 1 17 17 THR H H 1 8.084 0.002 . 1 . . . . 17 THR H . 15795 1 135 . 1 1 17 17 THR HA H 1 4.296 0.009 . 1 . . . . 17 THR HA . 15795 1 136 . 1 1 17 17 THR HB H 1 4.155 0.014 . 1 . . . . 17 THR HB . 15795 1 137 . 1 1 17 17 THR HG21 H 1 1.168 0.002 . 1 . . . . 17 THR HG21 . 15795 1 138 . 1 1 17 17 THR HG22 H 1 1.168 0.002 . 1 . . . . 17 THR HG22 . 15795 1 139 . 1 1 17 17 THR HG23 H 1 1.168 0.002 . 1 . . . . 17 THR HG23 . 15795 1 140 . 1 1 17 17 THR C C 13 174.152 0.050 . 1 . . . . 17 THR C . 15795 1 141 . 1 1 17 17 THR CA C 13 61.842 0.119 . 1 . . . . 17 THR CA . 15795 1 142 . 1 1 17 17 THR CB C 13 69.916 0.033 . 1 . . . . 17 THR CB . 15795 1 143 . 1 1 17 17 THR CG2 C 13 21.891 0.050 . 1 . . . . 17 THR CG2 . 15795 1 144 . 1 1 17 17 THR N N 15 115.236 0.045 . 1 . . . . 17 THR N . 15795 1 145 . 1 1 18 18 LYS H H 1 8.293 0.008 . 1 . . . . 18 LYS H . 15795 1 146 . 1 1 18 18 LYS HA H 1 4.345 0.007 . 1 . . . . 18 LYS HA . 15795 1 147 . 1 1 18 18 LYS HB2 H 1 1.731 0.013 . 2 . . . . 18 LYS HB2 . 15795 1 148 . 1 1 18 18 LYS HB3 H 1 1.832 0.008 . 2 . . . . 18 LYS HB3 . 15795 1 149 . 1 1 18 18 LYS HD2 H 1 1.669 0.008 . 1 . . . . 18 LYS HD2 . 15795 1 150 . 1 1 18 18 LYS HE2 H 1 2.979 0.008 . 1 . . . . 18 LYS HE2 . 15795 1 151 . 1 1 18 18 LYS HG2 H 1 1.391 0.012 . 1 . . . . 18 LYS HG2 . 15795 1 152 . 1 1 18 18 LYS CA C 13 56.309 0.050 . 1 . . . . 18 LYS CA . 15795 1 153 . 1 1 18 18 LYS CB C 13 33.247 0.049 . 1 . . . . 18 LYS CB . 15795 1 154 . 1 1 18 18 LYS CD C 13 29.157 0.036 . 1 . . . . 18 LYS CD . 15795 1 155 . 1 1 18 18 LYS CE C 13 42.147 0.024 . 1 . . . . 18 LYS CE . 15795 1 156 . 1 1 18 18 LYS CG C 13 24.731 0.037 . 1 . . . . 18 LYS CG . 15795 1 157 . 1 1 18 18 LYS N N 15 124.224 0.041 . 1 . . . . 18 LYS N . 15795 1 158 . 1 1 19 19 VAL H H 1 8.165 0.004 . 1 . . . . 19 VAL H . 15795 1 159 . 1 1 19 19 VAL HA H 1 4.097 0.003 . 1 . . . . 19 VAL HA . 15795 1 160 . 1 1 19 19 VAL HB H 1 2.036 0.008 . 1 . . . . 19 VAL HB . 15795 1 161 . 1 1 19 19 VAL HG11 H 1 0.897 0.005 . 1 . . . . 19 VAL HG11 . 15795 1 162 . 1 1 19 19 VAL HG12 H 1 0.897 0.005 . 1 . . . . 19 VAL HG12 . 15795 1 163 . 1 1 19 19 VAL HG13 H 1 0.897 0.005 . 1 . . . . 19 VAL HG13 . 15795 1 164 . 1 1 19 19 VAL C C 13 175.680 0.011 . 1 . . . . 19 VAL C . 15795 1 165 . 1 1 19 19 VAL CA C 13 62.135 0.003 . 1 . . . . 19 VAL CA . 15795 1 166 . 1 1 19 19 VAL CB C 13 32.874 0.060 . 1 . . . . 19 VAL CB . 15795 1 167 . 1 1 19 19 VAL CG1 C 13 20.998 0.072 . 2 . . . . 19 VAL CG1 . 15795 1 168 . 1 1 19 19 VAL CG2 C 13 20.699 0.084 . 2 . . . . 19 VAL CG2 . 15795 1 169 . 1 1 19 19 VAL N N 15 121.795 0.029 . 1 . . . . 19 VAL N . 15795 1 170 . 1 1 20 20 ASP H H 1 8.414 0.007 . 1 . . . . 20 ASP H . 15795 1 171 . 1 1 20 20 ASP HA H 1 4.590 0.007 . 1 . . . . 20 ASP HA . 15795 1 172 . 1 1 20 20 ASP HB2 H 1 2.677 0.007 . 2 . . . . 20 ASP HB2 . 15795 1 173 . 1 1 20 20 ASP HB3 H 1 2.579 0.006 . 2 . . . . 20 ASP HB3 . 15795 1 174 . 1 1 20 20 ASP C C 13 176.012 0.050 . 1 . . . . 20 ASP C . 15795 1 175 . 1 1 20 20 ASP CA C 13 54.242 0.042 . 1 . . . . 20 ASP CA . 15795 1 176 . 1 1 20 20 ASP CB C 13 41.267 0.079 . 1 . . . . 20 ASP CB . 15795 1 177 . 1 1 20 20 ASP N N 15 124.574 0.043 . 1 . . . . 20 ASP N . 15795 1 178 . 1 1 21 21 ARG H H 1 8.332 0.003 . 1 . . . . 21 ARG H . 15795 1 179 . 1 1 21 21 ARG HA H 1 4.389 0.006 . 1 . . . . 21 ARG HA . 15795 1 180 . 1 1 21 21 ARG HB2 H 1 1.913 0.002 . 2 . . . . 21 ARG HB2 . 15795 1 181 . 1 1 21 21 ARG HB3 H 1 1.743 0.004 . 2 . . . . 21 ARG HB3 . 15795 1 182 . 1 1 21 21 ARG HD2 H 1 3.181 0.006 . 1 . . . . 21 ARG HD2 . 15795 1 183 . 1 1 21 21 ARG HG2 H 1 1.601 0.006 . 1 . . . . 21 ARG HG2 . 15795 1 184 . 1 1 21 21 ARG C C 13 176.454 0.005 . 1 . . . . 21 ARG C . 15795 1 185 . 1 1 21 21 ARG CA C 13 55.931 0.041 . 1 . . . . 21 ARG CA . 15795 1 186 . 1 1 21 21 ARG CB C 13 30.748 0.041 . 1 . . . . 21 ARG CB . 15795 1 187 . 1 1 21 21 ARG CD C 13 43.220 0.108 . 1 . . . . 21 ARG CD . 15795 1 188 . 1 1 21 21 ARG CG C 13 27.008 0.014 . 1 . . . . 21 ARG CG . 15795 1 189 . 1 1 21 21 ARG N N 15 121.985 0.035 . 1 . . . . 21 ARG N . 15795 1 190 . 1 1 22 22 SER H H 1 8.462 0.002 . 1 . . . . 22 SER H . 15795 1 191 . 1 1 22 22 SER HA H 1 4.378 0.006 . 1 . . . . 22 SER HA . 15795 1 192 . 1 1 22 22 SER HB2 H 1 3.868 0.009 . 1 . . . . 22 SER HB2 . 15795 1 193 . 1 1 22 22 SER C C 13 174.544 0.050 . 1 . . . . 22 SER C . 15795 1 194 . 1 1 22 22 SER CA C 13 58.942 0.050 . 1 . . . . 22 SER CA . 15795 1 195 . 1 1 22 22 SER CB C 13 63.674 0.050 . 1 . . . . 22 SER CB . 15795 1 196 . 1 1 22 22 SER N N 15 117.436 0.032 . 1 . . . . 22 SER N . 15795 1 197 . 1 1 23 23 ASP H H 1 8.379 0.002 . 1 . . . . 23 ASP H . 15795 1 198 . 1 1 23 23 ASP HA H 1 4.595 0.004 . 1 . . . . 23 ASP HA . 15795 1 199 . 1 1 23 23 ASP HB2 H 1 2.675 0.005 . 2 . . . . 23 ASP HB2 . 15795 1 200 . 1 1 23 23 ASP HB3 H 1 2.586 0.010 . 2 . . . . 23 ASP HB3 . 15795 1 201 . 1 1 23 23 ASP CA C 13 54.512 0.050 . 1 . . . . 23 ASP CA . 15795 1 202 . 1 1 23 23 ASP CB C 13 41.168 0.077 . 1 . . . . 23 ASP CB . 15795 1 203 . 1 1 23 23 ASP N N 15 121.819 0.039 . 1 . . . . 23 ASP N . 15795 1 204 . 1 1 24 24 ASP H H 1 8.143 0.003 . 1 . . . . 24 ASP H . 15795 1 205 . 1 1 24 24 ASP HA H 1 4.546 0.006 . 1 . . . . 24 ASP HA . 15795 1 206 . 1 1 24 24 ASP HB2 H 1 2.662 0.007 . 2 . . . . 24 ASP HB2 . 15795 1 207 . 1 1 24 24 ASP HB3 H 1 2.568 0.009 . 2 . . . . 24 ASP HB3 . 15795 1 208 . 1 1 24 24 ASP CA C 13 54.654 0.029 . 1 . . . . 24 ASP CA . 15795 1 209 . 1 1 24 24 ASP CB C 13 41.113 0.068 . 1 . . . . 24 ASP CB . 15795 1 210 . 1 1 24 24 ASP N N 15 120.173 0.037 . 1 . . . . 24 ASP N . 15795 1 211 . 1 1 25 25 ILE H H 1 7.910 0.003 . 1 . . . . 25 ILE H . 15795 1 212 . 1 1 25 25 ILE HA H 1 4.100 0.006 . 1 . . . . 25 ILE HA . 15795 1 213 . 1 1 25 25 ILE HB H 1 1.856 0.009 . 1 . . . . 25 ILE HB . 15795 1 214 . 1 1 25 25 ILE HD11 H 1 0.841 0.005 . 1 . . . . 25 ILE HD11 . 15795 1 215 . 1 1 25 25 ILE HD12 H 1 0.841 0.005 . 1 . . . . 25 ILE HD12 . 15795 1 216 . 1 1 25 25 ILE HD13 H 1 0.841 0.005 . 1 . . . . 25 ILE HD13 . 15795 1 217 . 1 1 25 25 ILE HG12 H 1 1.447 0.004 . 2 . . . . 25 ILE HG12 . 15795 1 218 . 1 1 25 25 ILE HG13 H 1 1.176 0.003 . 2 . . . . 25 ILE HG13 . 15795 1 219 . 1 1 25 25 ILE HG21 H 1 0.858 0.006 . 1 . . . . 25 ILE HG21 . 15795 1 220 . 1 1 25 25 ILE HG22 H 1 0.858 0.006 . 1 . . . . 25 ILE HG22 . 15795 1 221 . 1 1 25 25 ILE HG23 H 1 0.858 0.006 . 1 . . . . 25 ILE HG23 . 15795 1 222 . 1 1 25 25 ILE C C 13 176.257 0.050 . 1 . . . . 25 ILE C . 15795 1 223 . 1 1 25 25 ILE CA C 13 61.376 0.009 . 1 . . . . 25 ILE CA . 15795 1 224 . 1 1 25 25 ILE CB C 13 38.548 0.056 . 1 . . . . 25 ILE CB . 15795 1 225 . 1 1 25 25 ILE CD1 C 13 12.788 0.062 . 1 . . . . 25 ILE CD1 . 15795 1 226 . 1 1 25 25 ILE CG1 C 13 27.351 0.049 . 1 . . . . 25 ILE CG1 . 15795 1 227 . 1 1 25 25 ILE CG2 C 13 17.522 0.035 . 1 . . . . 25 ILE CG2 . 15795 1 228 . 1 1 25 25 ILE N N 15 120.088 0.043 . 1 . . . . 25 ILE N . 15795 1 229 . 1 1 26 26 ILE H H 1 8.117 0.004 . 1 . . . . 26 ILE H . 15795 1 230 . 1 1 26 26 ILE HA H 1 4.099 0.004 . 1 . . . . 26 ILE HA . 15795 1 231 . 1 1 26 26 ILE HB H 1 1.845 0.007 . 1 . . . . 26 ILE HB . 15795 1 232 . 1 1 26 26 ILE HD11 H 1 0.832 0.002 . 1 . . . . 26 ILE HD11 . 15795 1 233 . 1 1 26 26 ILE HD12 H 1 0.832 0.002 . 1 . . . . 26 ILE HD12 . 15795 1 234 . 1 1 26 26 ILE HD13 H 1 0.832 0.002 . 1 . . . . 26 ILE HD13 . 15795 1 235 . 1 1 26 26 ILE HG12 H 1 1.455 0.009 . 2 . . . . 26 ILE HG12 . 15795 1 236 . 1 1 26 26 ILE HG13 H 1 1.184 0.050 . 2 . . . . 26 ILE HG13 . 15795 1 237 . 1 1 26 26 ILE HG21 H 1 0.854 0.004 . 1 . . . . 26 ILE HG21 . 15795 1 238 . 1 1 26 26 ILE HG22 H 1 0.854 0.004 . 1 . . . . 26 ILE HG22 . 15795 1 239 . 1 1 26 26 ILE HG23 H 1 0.854 0.004 . 1 . . . . 26 ILE HG23 . 15795 1 240 . 1 1 26 26 ILE C C 13 175.941 0.050 . 1 . . . . 26 ILE C . 15795 1 241 . 1 1 26 26 ILE CA C 13 61.088 0.014 . 1 . . . . 26 ILE CA . 15795 1 242 . 1 1 26 26 ILE CB C 13 38.246 0.069 . 1 . . . . 26 ILE CB . 15795 1 243 . 1 1 26 26 ILE CD1 C 13 12.711 0.063 . 1 . . . . 26 ILE CD1 . 15795 1 244 . 1 1 26 26 ILE CG1 C 13 27.379 0.055 . 1 . . . . 26 ILE CG1 . 15795 1 245 . 1 1 26 26 ILE CG2 C 13 17.530 0.043 . 1 . . . . 26 ILE CG2 . 15795 1 246 . 1 1 26 26 ILE N N 15 124.530 0.071 . 1 . . . . 26 ILE N . 15795 1 247 . 1 1 27 27 LYS H H 1 8.279 0.006 . 1 . . . . 27 LYS H . 15795 1 248 . 1 1 27 27 LYS HA H 1 4.585 0.007 . 1 . . . . 27 LYS HA . 15795 1 249 . 1 1 27 27 LYS HB2 H 1 1.799 0.007 . 2 . . . . 27 LYS HB2 . 15795 1 250 . 1 1 27 27 LYS HB3 H 1 1.691 0.016 . 2 . . . . 27 LYS HB3 . 15795 1 251 . 1 1 27 27 LYS HD2 H 1 1.673 0.006 . 1 . . . . 27 LYS HD2 . 15795 1 252 . 1 1 27 27 LYS HE2 H 1 2.985 0.008 . 1 . . . . 27 LYS HE2 . 15795 1 253 . 1 1 27 27 LYS HG2 H 1 1.447 0.012 . 2 . . . . 27 LYS HG2 . 15795 1 254 . 1 1 27 27 LYS HG3 H 1 1.421 0.005 . 2 . . . . 27 LYS HG3 . 15795 1 255 . 1 1 27 27 LYS CA C 13 54.084 0.050 . 1 . . . . 27 LYS CA . 15795 1 256 . 1 1 27 27 LYS CB C 13 32.426 0.077 . 1 . . . . 27 LYS CB . 15795 1 257 . 1 1 27 27 LYS CD C 13 29.196 0.064 . 1 . . . . 27 LYS CD . 15795 1 258 . 1 1 27 27 LYS CE C 13 42.157 0.026 . 1 . . . . 27 LYS CE . 15795 1 259 . 1 1 27 27 LYS CG C 13 24.686 0.017 . 1 . . . . 27 LYS CG . 15795 1 260 . 1 1 27 27 LYS N N 15 127.064 0.060 . 1 . . . . 27 LYS N . 15795 1 261 . 1 1 28 28 PRO HA H 1 4.401 0.008 . 1 . . . . 28 PRO HA . 15795 1 262 . 1 1 28 28 PRO HB2 H 1 2.273 0.018 . 2 . . . . 28 PRO HB2 . 15795 1 263 . 1 1 28 28 PRO HB3 H 1 1.879 0.010 . 2 . . . . 28 PRO HB3 . 15795 1 264 . 1 1 28 28 PRO HD2 H 1 3.817 0.007 . 2 . . . . 28 PRO HD2 . 15795 1 265 . 1 1 28 28 PRO HD3 H 1 3.613 0.009 . 2 . . . . 28 PRO HD3 . 15795 1 266 . 1 1 28 28 PRO HG2 H 1 1.999 0.004 . 1 . . . . 28 PRO HG2 . 15795 1 267 . 1 1 28 28 PRO C C 13 176.816 0.050 . 1 . . . . 28 PRO C . 15795 1 268 . 1 1 28 28 PRO CA C 13 62.985 0.050 . 1 . . . . 28 PRO CA . 15795 1 269 . 1 1 28 28 PRO CB C 13 32.218 0.072 . 1 . . . . 28 PRO CB . 15795 1 270 . 1 1 28 28 PRO CD C 13 50.659 0.069 . 1 . . . . 28 PRO CD . 15795 1 271 . 1 1 28 28 PRO CG C 13 27.343 0.068 . 1 . . . . 28 PRO CG . 15795 1 272 . 1 1 29 29 LYS H H 1 8.483 0.005 . 1 . . . . 29 LYS H . 15795 1 273 . 1 1 29 29 LYS HA H 1 4.355 0.003 . 1 . . . . 29 LYS HA . 15795 1 274 . 1 1 29 29 LYS HB2 H 1 1.758 0.002 . 2 . . . . 29 LYS HB2 . 15795 1 275 . 1 1 29 29 LYS HB3 H 1 1.838 0.050 . 2 . . . . 29 LYS HB3 . 15795 1 276 . 1 1 29 29 LYS HE2 H 1 3.017 0.050 . 1 . . . . 29 LYS HE2 . 15795 1 277 . 1 1 29 29 LYS C C 13 176.386 0.050 . 1 . . . . 29 LYS C . 15795 1 278 . 1 1 29 29 LYS CA C 13 56.420 0.011 . 1 . . . . 29 LYS CA . 15795 1 279 . 1 1 29 29 LYS CB C 13 33.105 0.096 . 1 . . . . 29 LYS CB . 15795 1 280 . 1 1 29 29 LYS CD C 13 29.087 0.050 . 1 . . . . 29 LYS CD . 15795 1 281 . 1 1 29 29 LYS CE C 13 42.193 0.050 . 1 . . . . 29 LYS CE . 15795 1 282 . 1 1 29 29 LYS CG C 13 24.800 0.050 . 1 . . . . 29 LYS CG . 15795 1 283 . 1 1 29 29 LYS N N 15 121.772 0.049 . 1 . . . . 29 LYS N . 15795 1 284 . 1 1 30 30 THR H H 1 7.793 0.005 . 1 . . . . 30 THR H . 15795 1 285 . 1 1 30 30 THR HA H 1 4.792 0.008 . 1 . . . . 30 THR HA . 15795 1 286 . 1 1 30 30 THR HB H 1 4.383 0.005 . 1 . . . . 30 THR HB . 15795 1 287 . 1 1 30 30 THR HG21 H 1 1.031 0.002 . 1 . . . . 30 THR HG21 . 15795 1 288 . 1 1 30 30 THR HG22 H 1 1.031 0.002 . 1 . . . . 30 THR HG22 . 15795 1 289 . 1 1 30 30 THR HG23 H 1 1.031 0.002 . 1 . . . . 30 THR HG23 . 15795 1 290 . 1 1 30 30 THR C C 13 175.618 0.050 . 1 . . . . 30 THR C . 15795 1 291 . 1 1 30 30 THR CA C 13 59.786 0.026 . 1 . . . . 30 THR CA . 15795 1 292 . 1 1 30 30 THR CB C 13 71.508 0.025 . 1 . . . . 30 THR CB . 15795 1 293 . 1 1 30 30 THR CG2 C 13 22.191 0.136 . 1 . . . . 30 THR CG2 . 15795 1 294 . 1 1 30 30 THR N N 15 110.000 0.081 . 1 . . . . 30 THR N . 15795 1 295 . 1 1 31 31 VAL H H 1 8.347 0.005 . 1 . . . . 31 VAL H . 15795 1 296 . 1 1 31 31 VAL HA H 1 3.796 0.004 . 1 . . . . 31 VAL HA . 15795 1 297 . 1 1 31 31 VAL HB H 1 1.722 0.003 . 1 . . . . 31 VAL HB . 15795 1 298 . 1 1 31 31 VAL C C 13 176.848 0.013 . 1 . . . . 31 VAL C . 15795 1 299 . 1 1 31 31 VAL CA C 13 64.491 0.010 . 1 . . . . 31 VAL CA . 15795 1 300 . 1 1 31 31 VAL CB C 13 32.692 0.111 . 1 . . . . 31 VAL CB . 15795 1 301 . 1 1 31 31 VAL CG1 C 13 21.593 0.030 . 2 . . . . 31 VAL CG1 . 15795 1 302 . 1 1 31 31 VAL CG2 C 13 21.907 0.041 . 2 . . . . 31 VAL CG2 . 15795 1 303 . 1 1 31 31 VAL N N 15 118.850 0.053 . 1 . . . . 31 VAL N . 15795 1 304 . 1 1 32 32 GLY H H 1 8.137 0.007 . 1 . . . . 32 GLY H . 15795 1 305 . 1 1 32 32 GLY C C 13 174.222 0.017 . 1 . . . . 32 GLY C . 15795 1 306 . 1 1 32 32 GLY CA C 13 45.040 0.034 . 1 . . . . 32 GLY CA . 15795 1 307 . 1 1 32 32 GLY N N 15 107.419 0.053 . 1 . . . . 32 GLY N . 15795 1 308 . 1 1 33 33 LYS H H 1 8.536 0.005 . 1 . . . . 33 LYS H . 15795 1 309 . 1 1 33 33 LYS HA H 1 3.922 0.004 . 1 . . . . 33 LYS HA . 15795 1 310 . 1 1 33 33 LYS HB2 H 1 1.832 0.004 . 1 . . . . 33 LYS HB2 . 15795 1 311 . 1 1 33 33 LYS HD2 H 1 1.680 0.003 . 1 . . . . 33 LYS HD2 . 15795 1 312 . 1 1 33 33 LYS HE2 H 1 2.997 0.050 . 1 . . . . 33 LYS HE2 . 15795 1 313 . 1 1 33 33 LYS HG2 H 1 1.441 0.008 . 2 . . . . 33 LYS HG2 . 15795 1 314 . 1 1 33 33 LYS HG3 H 1 1.529 0.050 . 2 . . . . 33 LYS HG3 . 15795 1 315 . 1 1 33 33 LYS C C 13 178.401 0.050 . 1 . . . . 33 LYS C . 15795 1 316 . 1 1 33 33 LYS CA C 13 58.731 0.059 . 1 . . . . 33 LYS CA . 15795 1 317 . 1 1 33 33 LYS CB C 13 32.852 0.061 . 1 . . . . 33 LYS CB . 15795 1 318 . 1 1 33 33 LYS CD C 13 29.118 0.016 . 1 . . . . 33 LYS CD . 15795 1 319 . 1 1 33 33 LYS CG C 13 25.110 0.117 . 1 . . . . 33 LYS CG . 15795 1 320 . 1 1 33 33 LYS N N 15 119.064 0.030 . 1 . . . . 33 LYS N . 15795 1 321 . 1 1 34 34 GLU H H 1 8.607 0.005 . 1 . . . . 34 GLU H . 15795 1 322 . 1 1 34 34 GLU HA H 1 4.052 0.007 . 1 . . . . 34 GLU HA . 15795 1 323 . 1 1 34 34 GLU HB2 H 1 2.064 0.011 . 2 . . . . 34 GLU HB2 . 15795 1 324 . 1 1 34 34 GLU HB3 H 1 2.028 0.011 . 2 . . . . 34 GLU HB3 . 15795 1 325 . 1 1 34 34 GLU HG2 H 1 2.276 0.004 . 1 . . . . 34 GLU HG2 . 15795 1 326 . 1 1 34 34 GLU C C 13 179.600 0.050 . 1 . . . . 34 GLU C . 15795 1 327 . 1 1 34 34 GLU CA C 13 60.031 0.013 . 1 . . . . 34 GLU CA . 15795 1 328 . 1 1 34 34 GLU CB C 13 28.646 0.056 . 1 . . . . 34 GLU CB . 15795 1 329 . 1 1 34 34 GLU CG C 13 36.684 0.017 . 1 . . . . 34 GLU CG . 15795 1 330 . 1 1 34 34 GLU N N 15 121.289 0.045 . 1 . . . . 34 GLU N . 15795 1 331 . 1 1 35 35 VAL H H 1 8.462 0.005 . 1 . . . . 35 VAL H . 15795 1 332 . 1 1 35 35 VAL HA H 1 3.522 0.005 . 1 . . . . 35 VAL HA . 15795 1 333 . 1 1 35 35 VAL HB H 1 1.953 0.006 . 1 . . . . 35 VAL HB . 15795 1 334 . 1 1 35 35 VAL C C 13 177.655 0.050 . 1 . . . . 35 VAL C . 15795 1 335 . 1 1 35 35 VAL CA C 13 66.461 0.016 . 1 . . . . 35 VAL CA . 15795 1 336 . 1 1 35 35 VAL CB C 13 31.641 0.081 . 1 . . . . 35 VAL CB . 15795 1 337 . 1 1 35 35 VAL CG1 C 13 22.119 0.031 . 2 . . . . 35 VAL CG1 . 15795 1 338 . 1 1 35 35 VAL CG2 C 13 24.036 0.061 . 2 . . . . 35 VAL CG2 . 15795 1 339 . 1 1 35 35 VAL N N 15 122.206 0.037 . 1 . . . . 35 VAL N . 15795 1 340 . 1 1 36 36 GLY H H 1 7.920 0.005 . 1 . . . . 36 GLY H . 15795 1 341 . 1 1 36 36 GLY HA2 H 1 3.969 0.009 . 2 . . . . 36 GLY HA2 . 15795 1 342 . 1 1 36 36 GLY HA3 H 1 3.873 0.007 . 2 . . . . 36 GLY HA3 . 15795 1 343 . 1 1 36 36 GLY C C 13 176.128 0.050 . 1 . . . . 36 GLY C . 15795 1 344 . 1 1 36 36 GLY CA C 13 49.637 0.005 . 1 . . . . 36 GLY CA . 15795 1 345 . 1 1 36 36 GLY N N 15 105.717 0.045 . 1 . . . . 36 GLY N . 15795 1 346 . 1 1 37 37 LYS H H 1 8.194 0.006 . 1 . . . . 37 LYS H . 15795 1 347 . 1 1 37 37 LYS HA H 1 4.219 0.004 . 1 . . . . 37 LYS HA . 15795 1 348 . 1 1 37 37 LYS HB2 H 1 1.920 0.012 . 2 . . . . 37 LYS HB2 . 15795 1 349 . 1 1 37 37 LYS HB3 H 1 1.867 0.008 . 2 . . . . 37 LYS HB3 . 15795 1 350 . 1 1 37 37 LYS HD2 H 1 1.714 0.011 . 1 . . . . 37 LYS HD2 . 15795 1 351 . 1 1 37 37 LYS HG2 H 1 1.530 0.005 . 2 . . . . 37 LYS HG2 . 15795 1 352 . 1 1 37 37 LYS HG3 H 1 1.524 0.007 . 2 . . . . 37 LYS HG3 . 15795 1 353 . 1 1 37 37 LYS C C 13 178.395 0.050 . 1 . . . . 37 LYS C . 15795 1 354 . 1 1 37 37 LYS CA C 13 57.937 0.001 . 1 . . . . 37 LYS CA . 15795 1 355 . 1 1 37 37 LYS CB C 13 31.903 0.049 . 1 . . . . 37 LYS CB . 15795 1 356 . 1 1 37 37 LYS CD C 13 28.698 0.005 . 1 . . . . 37 LYS CD . 15795 1 357 . 1 1 37 37 LYS CG C 13 24.665 0.038 . 1 . . . . 37 LYS CG . 15795 1 358 . 1 1 37 37 LYS N N 15 119.697 0.050 . 1 . . . . 37 LYS N . 15795 1 359 . 1 1 38 38 ALA H H 1 7.556 0.005 . 1 . . . . 38 ALA H . 15795 1 360 . 1 1 38 38 ALA HA H 1 4.174 0.004 . 1 . . . . 38 ALA HA . 15795 1 361 . 1 1 38 38 ALA HB1 H 1 1.398 0.004 . 1 . . . . 38 ALA HB1 . 15795 1 362 . 1 1 38 38 ALA HB2 H 1 1.398 0.004 . 1 . . . . 38 ALA HB2 . 15795 1 363 . 1 1 38 38 ALA HB3 H 1 1.398 0.004 . 1 . . . . 38 ALA HB3 . 15795 1 364 . 1 1 38 38 ALA C C 13 180.685 0.050 . 1 . . . . 38 ALA C . 15795 1 365 . 1 1 38 38 ALA CA C 13 54.807 0.029 . 1 . . . . 38 ALA CA . 15795 1 366 . 1 1 38 38 ALA CB C 13 18.318 0.063 . 1 . . . . 38 ALA CB . 15795 1 367 . 1 1 38 38 ALA N N 15 121.961 0.035 . 1 . . . . 38 ALA N . 15795 1 368 . 1 1 39 39 ILE H H 1 7.952 0.005 . 1 . . . . 39 ILE H . 15795 1 369 . 1 1 39 39 ILE HA H 1 3.466 0.007 . 1 . . . . 39 ILE HA . 15795 1 370 . 1 1 39 39 ILE HB H 1 2.001 0.007 . 1 . . . . 39 ILE HB . 15795 1 371 . 1 1 39 39 ILE HD11 H 1 0.877 0.005 . 1 . . . . 39 ILE HD11 . 15795 1 372 . 1 1 39 39 ILE HD12 H 1 0.877 0.005 . 1 . . . . 39 ILE HD12 . 15795 1 373 . 1 1 39 39 ILE HD13 H 1 0.877 0.005 . 1 . . . . 39 ILE HD13 . 15795 1 374 . 1 1 39 39 ILE HG12 H 1 2.021 0.007 . 2 . . . . 39 ILE HG12 . 15795 1 375 . 1 1 39 39 ILE HG13 H 1 0.811 0.002 . 2 . . . . 39 ILE HG13 . 15795 1 376 . 1 1 39 39 ILE HG21 H 1 0.971 0.003 . 1 . . . . 39 ILE HG21 . 15795 1 377 . 1 1 39 39 ILE HG22 H 1 0.971 0.003 . 1 . . . . 39 ILE HG22 . 15795 1 378 . 1 1 39 39 ILE HG23 H 1 0.971 0.003 . 1 . . . . 39 ILE HG23 . 15795 1 379 . 1 1 39 39 ILE C C 13 176.917 0.050 . 1 . . . . 39 ILE C . 15795 1 380 . 1 1 39 39 ILE CA C 13 65.782 0.017 . 1 . . . . 39 ILE CA . 15795 1 381 . 1 1 39 39 ILE CB C 13 38.744 0.065 . 1 . . . . 39 ILE CB . 15795 1 382 . 1 1 39 39 ILE CD1 C 13 16.934 0.037 . 1 . . . . 39 ILE CD1 . 15795 1 383 . 1 1 39 39 ILE CG1 C 13 29.966 0.065 . 1 . . . . 39 ILE CG1 . 15795 1 384 . 1 1 39 39 ILE CG2 C 13 17.768 0.083 . 1 . . . . 39 ILE CG2 . 15795 1 385 . 1 1 39 39 ILE N N 15 120.989 0.032 . 1 . . . . 39 ILE N . 15795 1 386 . 1 1 40 40 GLU H H 1 7.641 0.006 . 1 . . . . 40 GLU H . 15795 1 387 . 1 1 40 40 GLU HA H 1 3.806 0.006 . 1 . . . . 40 GLU HA . 15795 1 388 . 1 1 40 40 GLU HG2 H 1 2.000 0.002 . 2 . . . . 40 GLU HG2 . 15795 1 389 . 1 1 40 40 GLU HG3 H 1 2.247 0.007 . 2 . . . . 40 GLU HG3 . 15795 1 390 . 1 1 40 40 GLU C C 13 179.285 0.050 . 1 . . . . 40 GLU C . 15795 1 391 . 1 1 40 40 GLU CA C 13 60.226 0.016 . 1 . . . . 40 GLU CA . 15795 1 392 . 1 1 40 40 GLU CB C 13 30.397 0.069 . 1 . . . . 40 GLU CB . 15795 1 393 . 1 1 40 40 GLU CG C 13 36.065 0.112 . 1 . . . . 40 GLU CG . 15795 1 394 . 1 1 40 40 GLU N N 15 120.355 0.025 . 1 . . . . 40 GLU N . 15795 1 395 . 1 1 41 41 GLN H H 1 8.805 0.005 . 1 . . . . 41 GLN H . 15795 1 396 . 1 1 41 41 GLN HA H 1 4.005 0.005 . 1 . . . . 41 GLN HA . 15795 1 397 . 1 1 41 41 GLN HB2 H 1 2.021 0.004 . 2 . . . . 41 GLN HB2 . 15795 1 398 . 1 1 41 41 GLN HB3 H 1 2.184 0.004 . 2 . . . . 41 GLN HB3 . 15795 1 399 . 1 1 41 41 GLN HE21 H 1 6.842 0.002 . 1 . . . . 41 GLN HE21 . 15795 1 400 . 1 1 41 41 GLN HE22 H 1 7.569 0.050 . 1 . . . . 41 GLN HE22 . 15795 1 401 . 1 1 41 41 GLN C C 13 179.732 0.050 . 1 . . . . 41 GLN C . 15795 1 402 . 1 1 41 41 GLN CA C 13 58.562 0.047 . 1 . . . . 41 GLN CA . 15795 1 403 . 1 1 41 41 GLN CB C 13 28.305 0.068 . 1 . . . . 41 GLN CB . 15795 1 404 . 1 1 41 41 GLN CG C 13 34.800 0.041 . 1 . . . . 41 GLN CG . 15795 1 405 . 1 1 41 41 GLN N N 15 116.200 0.039 . 1 . . . . 41 GLN N . 15795 1 406 . 1 1 41 41 GLN NE2 N 15 112.201 0.019 . 1 . . . . 41 GLN NE2 . 15795 1 407 . 1 1 42 42 GLY H H 1 8.340 0.004 . 1 . . . . 42 GLY H . 15795 1 408 . 1 1 42 42 GLY C C 13 176.527 0.050 . 1 . . . . 42 GLY C . 15795 1 409 . 1 1 42 42 GLY CA C 13 47.422 0.041 . 1 . . . . 42 GLY CA . 15795 1 410 . 1 1 42 42 GLY N N 15 109.892 0.044 . 1 . . . . 42 GLY N . 15795 1 411 . 1 1 43 43 ARG H H 1 8.230 0.006 . 1 . . . . 43 ARG H . 15795 1 412 . 1 1 43 43 ARG HA H 1 4.155 0.004 . 1 . . . . 43 ARG HA . 15795 1 413 . 1 1 43 43 ARG HE H 1 11.234 0.004 . 1 . . . . 43 ARG HE . 15795 1 414 . 1 1 43 43 ARG HG2 H 1 1.221 0.002 . 2 . . . . 43 ARG HG2 . 15795 1 415 . 1 1 43 43 ARG HG3 H 1 2.050 0.002 . 2 . . . . 43 ARG HG3 . 15795 1 416 . 1 1 43 43 ARG C C 13 178.979 0.050 . 1 . . . . 43 ARG C . 15795 1 417 . 1 1 43 43 ARG CA C 13 61.223 0.009 . 1 . . . . 43 ARG CA . 15795 1 418 . 1 1 43 43 ARG CB C 13 29.949 0.053 . 1 . . . . 43 ARG CB . 15795 1 419 . 1 1 43 43 ARG CD C 13 42.220 0.050 . 1 . . . . 43 ARG CD . 15795 1 420 . 1 1 43 43 ARG CG C 13 31.848 0.038 . 1 . . . . 43 ARG CG . 15795 1 421 . 1 1 43 43 ARG N N 15 120.880 0.051 . 1 . . . . 43 ARG N . 15795 1 422 . 1 1 43 43 ARG NE N 15 87.647 0.050 . 1 . . . . 43 ARG NE . 15795 1 423 . 1 1 44 44 GLN H H 1 7.627 0.006 . 1 . . . . 44 GLN H . 15795 1 424 . 1 1 44 44 GLN HA H 1 4.451 0.005 . 1 . . . . 44 GLN HA . 15795 1 425 . 1 1 44 44 GLN HE21 H 1 6.785 0.001 . 1 . . . . 44 GLN HE21 . 15795 1 426 . 1 1 44 44 GLN HE22 H 1 7.218 0.002 . 1 . . . . 44 GLN HE22 . 15795 1 427 . 1 1 44 44 GLN HG2 H 1 2.651 0.004 . 2 . . . . 44 GLN HG2 . 15795 1 428 . 1 1 44 44 GLN HG3 H 1 2.546 0.005 . 2 . . . . 44 GLN HG3 . 15795 1 429 . 1 1 44 44 GLN C C 13 176.333 0.050 . 1 . . . . 44 GLN C . 15795 1 430 . 1 1 44 44 GLN CA C 13 56.450 0.022 . 1 . . . . 44 GLN CA . 15795 1 431 . 1 1 44 44 GLN CB C 13 28.271 0.035 . 1 . . . . 44 GLN CB . 15795 1 432 . 1 1 44 44 GLN CG C 13 34.058 0.036 . 1 . . . . 44 GLN CG . 15795 1 433 . 1 1 44 44 GLN N N 15 114.549 0.044 . 1 . . . . 44 GLN N . 15795 1 434 . 1 1 44 44 GLN NE2 N 15 110.684 0.021 . 1 . . . . 44 GLN NE2 . 15795 1 435 . 1 1 45 45 LYS H H 1 7.411 0.004 . 1 . . . . 45 LYS H . 15795 1 436 . 1 1 45 45 LYS HA H 1 4.156 0.003 . 1 . . . . 45 LYS HA . 15795 1 437 . 1 1 45 45 LYS HB2 H 1 1.724 0.003 . 1 . . . . 45 LYS HB2 . 15795 1 438 . 1 1 45 45 LYS HD2 H 1 1.651 0.050 . 1 . . . . 45 LYS HD2 . 15795 1 439 . 1 1 45 45 LYS C C 13 176.950 0.050 . 1 . . . . 45 LYS C . 15795 1 440 . 1 1 45 45 LYS CA C 13 56.976 0.034 . 1 . . . . 45 LYS CA . 15795 1 441 . 1 1 45 45 LYS CB C 13 32.093 0.037 . 1 . . . . 45 LYS CB . 15795 1 442 . 1 1 45 45 LYS CD C 13 28.838 0.050 . 1 . . . . 45 LYS CD . 15795 1 443 . 1 1 45 45 LYS CE C 13 42.115 0.050 . 1 . . . . 45 LYS CE . 15795 1 444 . 1 1 45 45 LYS CG C 13 24.801 0.022 . 1 . . . . 45 LYS CG . 15795 1 445 . 1 1 45 45 LYS N N 15 117.557 0.033 . 1 . . . . 45 LYS N . 15795 1 446 . 1 1 46 46 PHE H H 1 7.066 0.006 . 1 . . . . 46 PHE H . 15795 1 447 . 1 1 46 46 PHE HA H 1 4.251 0.004 . 1 . . . . 46 PHE HA . 15795 1 448 . 1 1 46 46 PHE HD1 H 1 7.485 0.006 . 3 . . . . 46 PHE HD1 . 15795 1 449 . 1 1 46 46 PHE HD2 H 1 7.485 0.006 . 3 . . . . 46 PHE HD2 . 15795 1 450 . 1 1 46 46 PHE C C 13 173.375 0.017 . 1 . . . . 46 PHE C . 15795 1 451 . 1 1 46 46 PHE CA C 13 58.407 0.025 . 1 . . . . 46 PHE CA . 15795 1 452 . 1 1 46 46 PHE CB C 13 40.817 0.079 . 1 . . . . 46 PHE CB . 15795 1 453 . 1 1 46 46 PHE N N 15 119.227 0.033 . 1 . . . . 46 PHE N . 15795 1 454 . 1 1 47 47 GLU H H 1 8.200 0.007 . 1 . . . . 47 GLU H . 15795 1 455 . 1 1 47 47 GLU HA H 1 4.612 0.006 . 1 . . . . 47 GLU HA . 15795 1 456 . 1 1 47 47 GLU HG2 H 1 2.129 0.003 . 2 . . . . 47 GLU HG2 . 15795 1 457 . 1 1 47 47 GLU HG3 H 1 2.089 0.006 . 2 . . . . 47 GLU HG3 . 15795 1 458 . 1 1 47 47 GLU C C 13 174.507 0.050 . 1 . . . . 47 GLU C . 15795 1 459 . 1 1 47 47 GLU CA C 13 52.421 0.050 . 1 . . . . 47 GLU CA . 15795 1 460 . 1 1 47 47 GLU CB C 13 32.231 0.038 . 1 . . . . 47 GLU CB . 15795 1 461 . 1 1 47 47 GLU CG C 13 36.012 0.028 . 1 . . . . 47 GLU CG . 15795 1 462 . 1 1 47 47 GLU N N 15 120.384 0.032 . 1 . . . . 47 GLU N . 15795 1 463 . 1 1 48 48 PRO HA H 1 4.829 0.004 . 1 . . . . 48 PRO HA . 15795 1 464 . 1 1 48 48 PRO HB2 H 1 2.431 0.006 . 2 . . . . 48 PRO HB2 . 15795 1 465 . 1 1 48 48 PRO HB3 H 1 2.069 0.008 . 2 . . . . 48 PRO HB3 . 15795 1 466 . 1 1 48 48 PRO HD2 H 1 3.599 0.002 . 2 . . . . 48 PRO HD2 . 15795 1 467 . 1 1 48 48 PRO HD3 H 1 3.498 0.005 . 2 . . . . 48 PRO HD3 . 15795 1 468 . 1 1 48 48 PRO HG2 H 1 1.917 0.002 . 2 . . . . 48 PRO HG2 . 15795 1 469 . 1 1 48 48 PRO HG3 H 1 1.864 0.009 . 2 . . . . 48 PRO HG3 . 15795 1 470 . 1 1 48 48 PRO CA C 13 63.306 0.036 . 1 . . . . 48 PRO CA . 15795 1 471 . 1 1 48 48 PRO CB C 13 34.702 0.051 . 1 . . . . 48 PRO CB . 15795 1 472 . 1 1 48 48 PRO CD C 13 50.062 0.040 . 1 . . . . 48 PRO CD . 15795 1 473 . 1 1 48 48 PRO CG C 13 25.138 0.044 . 1 . . . . 48 PRO CG . 15795 1 474 . 1 1 49 49 THR H H 1 8.155 0.006 . 1 . . . . 49 THR H . 15795 1 475 . 1 1 49 49 THR HA H 1 3.983 0.005 . 1 . . . . 49 THR HA . 15795 1 476 . 1 1 49 49 THR HB H 1 3.875 0.003 . 1 . . . . 49 THR HB . 15795 1 477 . 1 1 49 49 THR HG21 H 1 1.134 0.004 . 1 . . . . 49 THR HG21 . 15795 1 478 . 1 1 49 49 THR HG22 H 1 1.134 0.004 . 1 . . . . 49 THR HG22 . 15795 1 479 . 1 1 49 49 THR HG23 H 1 1.134 0.004 . 1 . . . . 49 THR HG23 . 15795 1 480 . 1 1 49 49 THR C C 13 174.598 0.026 . 1 . . . . 49 THR C . 15795 1 481 . 1 1 49 49 THR CA C 13 64.293 0.109 . 1 . . . . 49 THR CA . 15795 1 482 . 1 1 49 49 THR CB C 13 70.239 0.093 . 1 . . . . 49 THR CB . 15795 1 483 . 1 1 49 49 THR CG2 C 13 22.498 0.048 . 1 . . . . 49 THR CG2 . 15795 1 484 . 1 1 49 49 THR N N 15 115.527 0.042 . 1 . . . . 49 THR N . 15795 1 485 . 1 1 50 50 MET H H 1 7.789 0.009 . 1 . . . . 50 MET H . 15795 1 486 . 1 1 50 50 MET HA H 1 4.351 0.003 . 1 . . . . 50 MET HA . 15795 1 487 . 1 1 50 50 MET HB2 H 1 1.701 0.004 . 2 . . . . 50 MET HB2 . 15795 1 488 . 1 1 50 50 MET HB3 H 1 1.896 0.009 . 2 . . . . 50 MET HB3 . 15795 1 489 . 1 1 50 50 MET HE1 H 1 1.128 0.002 . 1 . . . . 50 MET HE1 . 15795 1 490 . 1 1 50 50 MET HE2 H 1 1.128 0.002 . 1 . . . . 50 MET HE2 . 15795 1 491 . 1 1 50 50 MET HE3 H 1 1.128 0.002 . 1 . . . . 50 MET HE3 . 15795 1 492 . 1 1 50 50 MET HG2 H 1 2.512 0.006 . 2 . . . . 50 MET HG2 . 15795 1 493 . 1 1 50 50 MET HG3 H 1 2.285 0.004 . 2 . . . . 50 MET HG3 . 15795 1 494 . 1 1 50 50 MET C C 13 176.196 0.024 . 1 . . . . 50 MET C . 15795 1 495 . 1 1 50 50 MET CA C 13 55.752 0.007 . 1 . . . . 50 MET CA . 15795 1 496 . 1 1 50 50 MET CB C 13 35.747 0.041 . 1 . . . . 50 MET CB . 15795 1 497 . 1 1 50 50 MET CE C 13 15.902 0.026 . 1 . . . . 50 MET CE . 15795 1 498 . 1 1 50 50 MET CG C 13 31.309 0.051 . 1 . . . . 50 MET CG . 15795 1 499 . 1 1 50 50 MET N N 15 128.638 0.061 . 1 . . . . 50 MET N . 15795 1 500 . 1 1 51 51 THR H H 1 8.855 0.007 . 1 . . . . 51 THR H . 15795 1 501 . 1 1 51 51 THR HA H 1 4.342 0.005 . 1 . . . . 51 THR HA . 15795 1 502 . 1 1 51 51 THR HB H 1 4.751 0.006 . 1 . . . . 51 THR HB . 15795 1 503 . 1 1 51 51 THR HG21 H 1 1.294 0.003 . 1 . . . . 51 THR HG21 . 15795 1 504 . 1 1 51 51 THR HG22 H 1 1.294 0.003 . 1 . . . . 51 THR HG22 . 15795 1 505 . 1 1 51 51 THR HG23 H 1 1.294 0.003 . 1 . . . . 51 THR HG23 . 15795 1 506 . 1 1 51 51 THR C C 13 176.217 0.050 . 1 . . . . 51 THR C . 15795 1 507 . 1 1 51 51 THR CA C 13 61.699 0.001 . 1 . . . . 51 THR CA . 15795 1 508 . 1 1 51 51 THR CB C 13 70.927 0.024 . 1 . . . . 51 THR CB . 15795 1 509 . 1 1 51 51 THR CG2 C 13 21.719 0.032 . 1 . . . . 51 THR CG2 . 15795 1 510 . 1 1 51 51 THR N N 15 119.282 0.059 . 1 . . . . 51 THR N . 15795 1 511 . 1 1 52 52 GLN H H 1 9.172 0.005 . 1 . . . . 52 GLN H . 15795 1 512 . 1 1 52 52 GLN HA H 1 3.708 0.007 . 1 . . . . 52 GLN HA . 15795 1 513 . 1 1 52 52 GLN HB2 H 1 2.210 0.008 . 2 . . . . 52 GLN HB2 . 15795 1 514 . 1 1 52 52 GLN HB3 H 1 1.660 0.014 . 2 . . . . 52 GLN HB3 . 15795 1 515 . 1 1 52 52 GLN HE21 H 1 6.777 0.004 . 1 . . . . 52 GLN HE21 . 15795 1 516 . 1 1 52 52 GLN HE22 H 1 7.855 0.002 . 1 . . . . 52 GLN HE22 . 15795 1 517 . 1 1 52 52 GLN HG2 H 1 2.208 0.008 . 2 . . . . 52 GLN HG2 . 15795 1 518 . 1 1 52 52 GLN HG3 H 1 2.555 0.004 . 2 . . . . 52 GLN HG3 . 15795 1 519 . 1 1 52 52 GLN C C 13 178.586 0.050 . 1 . . . . 52 GLN C . 15795 1 520 . 1 1 52 52 GLN CA C 13 60.577 0.099 . 1 . . . . 52 GLN CA . 15795 1 521 . 1 1 52 52 GLN CB C 13 28.106 0.150 . 1 . . . . 52 GLN CB . 15795 1 522 . 1 1 52 52 GLN CG C 13 34.096 0.085 . 1 . . . . 52 GLN CG . 15795 1 523 . 1 1 52 52 GLN N N 15 119.585 0.040 . 1 . . . . 52 GLN N . 15795 1 524 . 1 1 52 52 GLN NE2 N 15 111.689 0.020 . 1 . . . . 52 GLN NE2 . 15795 1 525 . 1 1 53 53 ALA H H 1 8.546 0.002 . 1 . . . . 53 ALA H . 15795 1 526 . 1 1 53 53 ALA HA H 1 3.895 0.006 . 1 . . . . 53 ALA HA . 15795 1 527 . 1 1 53 53 ALA HB1 H 1 1.416 0.008 . 1 . . . . 53 ALA HB1 . 15795 1 528 . 1 1 53 53 ALA HB2 H 1 1.416 0.008 . 1 . . . . 53 ALA HB2 . 15795 1 529 . 1 1 53 53 ALA HB3 H 1 1.416 0.008 . 1 . . . . 53 ALA HB3 . 15795 1 530 . 1 1 53 53 ALA C C 13 180.627 0.050 . 1 . . . . 53 ALA C . 15795 1 531 . 1 1 53 53 ALA CA C 13 55.161 0.003 . 1 . . . . 53 ALA CA . 15795 1 532 . 1 1 53 53 ALA CB C 13 18.142 0.026 . 1 . . . . 53 ALA CB . 15795 1 533 . 1 1 53 53 ALA N N 15 119.067 0.029 . 1 . . . . 53 ALA N . 15795 1 534 . 1 1 54 54 GLU H H 1 8.043 0.009 . 1 . . . . 54 GLU H . 15795 1 535 . 1 1 54 54 GLU HA H 1 3.863 0.007 . 1 . . . . 54 GLU HA . 15795 1 536 . 1 1 54 54 GLU HB2 H 1 1.841 0.009 . 2 . . . . 54 GLU HB2 . 15795 1 537 . 1 1 54 54 GLU HB3 H 1 2.230 0.008 . 2 . . . . 54 GLU HB3 . 15795 1 538 . 1 1 54 54 GLU HG2 H 1 2.243 0.005 . 1 . . . . 54 GLU HG2 . 15795 1 539 . 1 1 54 54 GLU C C 13 178.842 0.050 . 1 . . . . 54 GLU C . 15795 1 540 . 1 1 54 54 GLU CA C 13 59.176 0.050 . 1 . . . . 54 GLU CA . 15795 1 541 . 1 1 54 54 GLU CB C 13 29.901 0.140 . 1 . . . . 54 GLU CB . 15795 1 542 . 1 1 54 54 GLU CG C 13 37.021 0.028 . 1 . . . . 54 GLU CG . 15795 1 543 . 1 1 54 54 GLU N N 15 121.354 0.047 . 1 . . . . 54 GLU N . 15795 1 544 . 1 1 55 55 LEU H H 1 8.132 0.006 . 1 . . . . 55 LEU H . 15795 1 545 . 1 1 55 55 LEU HA H 1 4.085 0.003 . 1 . . . . 55 LEU HA . 15795 1 546 . 1 1 55 55 LEU HG H 1 1.341 0.008 . 1 . . . . 55 LEU HG . 15795 1 547 . 1 1 55 55 LEU C C 13 178.398 0.050 . 1 . . . . 55 LEU C . 15795 1 548 . 1 1 55 55 LEU CA C 13 58.352 0.083 . 1 . . . . 55 LEU CA . 15795 1 549 . 1 1 55 55 LEU CB C 13 40.028 0.055 . 1 . . . . 55 LEU CB . 15795 1 550 . 1 1 55 55 LEU CD1 C 13 22.953 0.044 . 2 . . . . 55 LEU CD1 . 15795 1 551 . 1 1 55 55 LEU CD2 C 13 27.253 0.127 . 2 . . . . 55 LEU CD2 . 15795 1 552 . 1 1 55 55 LEU CG C 13 27.351 0.214 . 1 . . . . 55 LEU CG . 15795 1 553 . 1 1 55 55 LEU N N 15 120.983 0.033 . 1 . . . . 55 LEU N . 15795 1 554 . 1 1 56 56 GLY H H 1 8.293 0.004 . 1 . . . . 56 GLY H . 15795 1 555 . 1 1 56 56 GLY HA2 H 1 3.143 0.006 . 2 . . . . 56 GLY HA2 . 15795 1 556 . 1 1 56 56 GLY HA3 H 1 3.390 0.007 . 2 . . . . 56 GLY HA3 . 15795 1 557 . 1 1 56 56 GLY C C 13 175.605 0.050 . 1 . . . . 56 GLY C . 15795 1 558 . 1 1 56 56 GLY CA C 13 48.165 0.070 . 1 . . . . 56 GLY CA . 15795 1 559 . 1 1 56 56 GLY N N 15 105.376 0.051 . 1 . . . . 56 GLY N . 15795 1 560 . 1 1 57 57 LYS H H 1 8.165 0.007 . 1 . . . . 57 LYS H . 15795 1 561 . 1 1 57 57 LYS HA H 1 4.025 0.002 . 1 . . . . 57 LYS HA . 15795 1 562 . 1 1 57 57 LYS HB2 H 1 1.974 0.008 . 2 . . . . 57 LYS HB2 . 15795 1 563 . 1 1 57 57 LYS HB3 H 1 1.901 0.009 . 2 . . . . 57 LYS HB3 . 15795 1 564 . 1 1 57 57 LYS HD2 H 1 1.658 0.007 . 1 . . . . 57 LYS HD2 . 15795 1 565 . 1 1 57 57 LYS HE2 H 1 2.925 0.006 . 1 . . . . 57 LYS HE2 . 15795 1 566 . 1 1 57 57 LYS HG2 H 1 1.501 0.004 . 2 . . . . 57 LYS HG2 . 15795 1 567 . 1 1 57 57 LYS HG3 H 1 1.393 0.004 . 2 . . . . 57 LYS HG3 . 15795 1 568 . 1 1 57 57 LYS C C 13 179.917 0.050 . 1 . . . . 57 LYS C . 15795 1 569 . 1 1 57 57 LYS CA C 13 59.524 0.003 . 1 . . . . 57 LYS CA . 15795 1 570 . 1 1 57 57 LYS CB C 13 32.009 0.027 . 1 . . . . 57 LYS CB . 15795 1 571 . 1 1 57 57 LYS CD C 13 29.273 0.064 . 1 . . . . 57 LYS CD . 15795 1 572 . 1 1 57 57 LYS CE C 13 42.115 0.031 . 1 . . . . 57 LYS CE . 15795 1 573 . 1 1 57 57 LYS CG C 13 24.710 0.015 . 1 . . . . 57 LYS CG . 15795 1 574 . 1 1 57 57 LYS N N 15 122.855 0.031 . 1 . . . . 57 LYS N . 15795 1 575 . 1 1 58 58 GLU H H 1 7.859 0.010 . 1 . . . . 58 GLU H . 15795 1 576 . 1 1 58 58 GLU HA H 1 4.075 0.005 . 1 . . . . 58 GLU HA . 15795 1 577 . 1 1 58 58 GLU HB2 H 1 2.088 0.007 . 2 . . . . 58 GLU HB2 . 15795 1 578 . 1 1 58 58 GLU HB3 H 1 2.172 0.008 . 2 . . . . 58 GLU HB3 . 15795 1 579 . 1 1 58 58 GLU C C 13 178.548 0.050 . 1 . . . . 58 GLU C . 15795 1 580 . 1 1 58 58 GLU CA C 13 58.731 0.059 . 1 . . . . 58 GLU CA . 15795 1 581 . 1 1 58 58 GLU CB C 13 30.132 0.058 . 1 . . . . 58 GLU CB . 15795 1 582 . 1 1 58 58 GLU CG C 13 35.448 0.050 . 1 . . . . 58 GLU CG . 15795 1 583 . 1 1 58 58 GLU N N 15 117.274 0.046 . 1 . . . . 58 GLU N . 15795 1 584 . 1 1 59 59 ILE H H 1 7.666 0.007 . 1 . . . . 59 ILE H . 15795 1 585 . 1 1 59 59 ILE HA H 1 4.580 0.006 . 1 . . . . 59 ILE HA . 15795 1 586 . 1 1 59 59 ILE HB H 1 2.084 0.006 . 1 . . . . 59 ILE HB . 15795 1 587 . 1 1 59 59 ILE HD11 H 1 0.474 0.003 . 1 . . . . 59 ILE HD11 . 15795 1 588 . 1 1 59 59 ILE HD12 H 1 0.474 0.003 . 1 . . . . 59 ILE HD12 . 15795 1 589 . 1 1 59 59 ILE HD13 H 1 0.474 0.003 . 1 . . . . 59 ILE HD13 . 15795 1 590 . 1 1 59 59 ILE HG12 H 1 1.761 0.007 . 2 . . . . 59 ILE HG12 . 15795 1 591 . 1 1 59 59 ILE HG13 H 1 1.033 0.005 . 2 . . . . 59 ILE HG13 . 15795 1 592 . 1 1 59 59 ILE HG21 H 1 0.675 0.004 . 1 . . . . 59 ILE HG21 . 15795 1 593 . 1 1 59 59 ILE HG22 H 1 0.675 0.004 . 1 . . . . 59 ILE HG22 . 15795 1 594 . 1 1 59 59 ILE HG23 H 1 0.675 0.004 . 1 . . . . 59 ILE HG23 . 15795 1 595 . 1 1 59 59 ILE C C 13 175.100 0.050 . 1 . . . . 59 ILE C . 15795 1 596 . 1 1 59 59 ILE CA C 13 60.679 0.018 . 1 . . . . 59 ILE CA . 15795 1 597 . 1 1 59 59 ILE CB C 13 39.322 0.048 . 1 . . . . 59 ILE CB . 15795 1 598 . 1 1 59 59 ILE CD1 C 13 15.592 0.059 . 1 . . . . 59 ILE CD1 . 15795 1 599 . 1 1 59 59 ILE CG1 C 13 24.638 0.032 . 1 . . . . 59 ILE CG1 . 15795 1 600 . 1 1 59 59 ILE CG2 C 13 17.568 0.043 . 1 . . . . 59 ILE CG2 . 15795 1 601 . 1 1 59 59 ILE N N 15 108.211 0.041 . 1 . . . . 59 ILE N . 15795 1 602 . 1 1 60 60 GLY H H 1 7.920 0.003 . 1 . . . . 60 GLY H . 15795 1 603 . 1 1 60 60 GLY C C 13 174.552 0.017 . 1 . . . . 60 GLY C . 15795 1 604 . 1 1 60 60 GLY CA C 13 46.783 0.018 . 1 . . . . 60 GLY CA . 15795 1 605 . 1 1 60 60 GLY N N 15 112.946 0.077 . 1 . . . . 60 GLY N . 15795 1 606 . 1 1 61 61 GLU H H 1 8.505 0.006 . 1 . . . . 61 GLU H . 15795 1 607 . 1 1 61 61 GLU HA H 1 4.869 0.006 . 1 . . . . 61 GLU HA . 15795 1 608 . 1 1 61 61 GLU HB2 H 1 2.197 0.009 . 2 . . . . 61 GLU HB2 . 15795 1 609 . 1 1 61 61 GLU HB3 H 1 1.073 0.012 . 2 . . . . 61 GLU HB3 . 15795 1 610 . 1 1 61 61 GLU HG2 H 1 2.027 0.009 . 2 . . . . 61 GLU HG2 . 15795 1 611 . 1 1 61 61 GLU HG3 H 1 1.867 0.003 . 2 . . . . 61 GLU HG3 . 15795 1 612 . 1 1 61 61 GLU C C 13 175.560 0.050 . 1 . . . . 61 GLU C . 15795 1 613 . 1 1 61 61 GLU CA C 13 53.185 0.008 . 1 . . . . 61 GLU CA . 15795 1 614 . 1 1 61 61 GLU CB C 13 33.138 0.107 . 1 . . . . 61 GLU CB . 15795 1 615 . 1 1 61 61 GLU CG C 13 34.761 0.047 . 1 . . . . 61 GLU CG . 15795 1 616 . 1 1 61 61 GLU N N 15 116.837 0.048 . 1 . . . . 61 GLU N . 15795 1 617 . 1 1 62 62 THR H H 1 9.028 0.007 . 1 . . . . 62 THR H . 15795 1 618 . 1 1 62 62 THR HA H 1 4.279 0.003 . 1 . . . . 62 THR HA . 15795 1 619 . 1 1 62 62 THR HB H 1 4.740 0.005 . 1 . . . . 62 THR HB . 15795 1 620 . 1 1 62 62 THR HG21 H 1 1.326 0.003 . 1 . . . . 62 THR HG21 . 15795 1 621 . 1 1 62 62 THR HG22 H 1 1.326 0.003 . 1 . . . . 62 THR HG22 . 15795 1 622 . 1 1 62 62 THR HG23 H 1 1.326 0.003 . 1 . . . . 62 THR HG23 . 15795 1 623 . 1 1 62 62 THR C C 13 175.711 0.050 . 1 . . . . 62 THR C . 15795 1 624 . 1 1 62 62 THR CA C 13 61.028 0.014 . 1 . . . . 62 THR CA . 15795 1 625 . 1 1 62 62 THR CB C 13 71.418 0.009 . 1 . . . . 62 THR CB . 15795 1 626 . 1 1 62 62 THR CG2 C 13 22.396 0.000 . 1 . . . . 62 THR CG2 . 15795 1 627 . 1 1 62 62 THR N N 15 110.777 0.034 . 1 . . . . 62 THR N . 15795 1 628 . 1 1 63 63 ALA H H 1 8.928 0.005 . 1 . . . . 63 ALA H . 15795 1 629 . 1 1 63 63 ALA HA H 1 3.729 0.008 . 1 . . . . 63 ALA HA . 15795 1 630 . 1 1 63 63 ALA HB1 H 1 1.357 0.007 . 1 . . . . 63 ALA HB1 . 15795 1 631 . 1 1 63 63 ALA HB2 H 1 1.357 0.007 . 1 . . . . 63 ALA HB2 . 15795 1 632 . 1 1 63 63 ALA HB3 H 1 1.357 0.007 . 1 . . . . 63 ALA HB3 . 15795 1 633 . 1 1 63 63 ALA C C 13 179.312 0.050 . 1 . . . . 63 ALA C . 15795 1 634 . 1 1 63 63 ALA CA C 13 55.220 0.015 . 1 . . . . 63 ALA CA . 15795 1 635 . 1 1 63 63 ALA CB C 13 17.621 0.027 . 1 . . . . 63 ALA CB . 15795 1 636 . 1 1 63 63 ALA N N 15 122.598 0.054 . 1 . . . . 63 ALA N . 15795 1 637 . 1 1 64 64 ALA H H 1 8.069 0.005 . 1 . . . . 64 ALA H . 15795 1 638 . 1 1 64 64 ALA HA H 1 4.101 0.013 . 1 . . . . 64 ALA HA . 15795 1 639 . 1 1 64 64 ALA HB1 H 1 1.403 0.004 . 1 . . . . 64 ALA HB1 . 15795 1 640 . 1 1 64 64 ALA HB2 H 1 1.403 0.004 . 1 . . . . 64 ALA HB2 . 15795 1 641 . 1 1 64 64 ALA HB3 H 1 1.403 0.004 . 1 . . . . 64 ALA HB3 . 15795 1 642 . 1 1 64 64 ALA C C 13 181.153 0.050 . 1 . . . . 64 ALA C . 15795 1 643 . 1 1 64 64 ALA CA C 13 54.844 0.056 . 1 . . . . 64 ALA CA . 15795 1 644 . 1 1 64 64 ALA CB C 13 17.894 0.059 . 1 . . . . 64 ALA CB . 15795 1 645 . 1 1 64 64 ALA N N 15 119.083 0.042 . 1 . . . . 64 ALA N . 15795 1 646 . 1 1 65 65 THR H H 1 8.139 0.003 . 1 . . . . 65 THR H . 15795 1 647 . 1 1 65 65 THR HA H 1 3.922 0.004 . 1 . . . . 65 THR HA . 15795 1 648 . 1 1 65 65 THR HB H 1 4.449 0.006 . 1 . . . . 65 THR HB . 15795 1 649 . 1 1 65 65 THR HG21 H 1 1.160 0.005 . 1 . . . . 65 THR HG21 . 15795 1 650 . 1 1 65 65 THR HG22 H 1 1.160 0.005 . 1 . . . . 65 THR HG22 . 15795 1 651 . 1 1 65 65 THR HG23 H 1 1.160 0.005 . 1 . . . . 65 THR HG23 . 15795 1 652 . 1 1 65 65 THR C C 13 177.062 0.050 . 1 . . . . 65 THR C . 15795 1 653 . 1 1 65 65 THR CA C 13 66.528 0.136 . 1 . . . . 65 THR CA . 15795 1 654 . 1 1 65 65 THR CB C 13 67.549 0.170 . 1 . . . . 65 THR CB . 15795 1 655 . 1 1 65 65 THR CG2 C 13 21.861 0.087 . 1 . . . . 65 THR CG2 . 15795 1 656 . 1 1 65 65 THR N N 15 120.161 0.055 . 1 . . . . 65 THR N . 15795 1 657 . 1 1 66 66 VAL H H 1 7.812 0.008 . 1 . . . . 66 VAL H . 15795 1 658 . 1 1 66 66 VAL HA H 1 3.143 0.005 . 1 . . . . 66 VAL HA . 15795 1 659 . 1 1 66 66 VAL HB H 1 2.113 0.008 . 1 . . . . 66 VAL HB . 15795 1 660 . 1 1 66 66 VAL C C 13 177.385 0.050 . 1 . . . . 66 VAL C . 15795 1 661 . 1 1 66 66 VAL CA C 13 68.308 0.040 . 1 . . . . 66 VAL CA . 15795 1 662 . 1 1 66 66 VAL CB C 13 31.397 0.050 . 1 . . . . 66 VAL CB . 15795 1 663 . 1 1 66 66 VAL CG1 C 13 21.882 0.119 . 2 . . . . 66 VAL CG1 . 15795 1 664 . 1 1 66 66 VAL CG2 C 13 23.129 0.099 . 2 . . . . 66 VAL CG2 . 15795 1 665 . 1 1 66 66 VAL N N 15 122.182 0.069 . 1 . . . . 66 VAL N . 15795 1 666 . 1 1 67 67 ALA H H 1 8.763 0.004 . 1 . . . . 67 ALA H . 15795 1 667 . 1 1 67 67 ALA HA H 1 3.965 0.005 . 1 . . . . 67 ALA HA . 15795 1 668 . 1 1 67 67 ALA HB1 H 1 1.462 0.004 . 1 . . . . 67 ALA HB1 . 15795 1 669 . 1 1 67 67 ALA HB2 H 1 1.462 0.004 . 1 . . . . 67 ALA HB2 . 15795 1 670 . 1 1 67 67 ALA HB3 H 1 1.462 0.004 . 1 . . . . 67 ALA HB3 . 15795 1 671 . 1 1 67 67 ALA C C 13 179.984 0.050 . 1 . . . . 67 ALA C . 15795 1 672 . 1 1 67 67 ALA CA C 13 55.696 0.029 . 1 . . . . 67 ALA CA . 15795 1 673 . 1 1 67 67 ALA CB C 13 17.968 0.050 . 1 . . . . 67 ALA CB . 15795 1 674 . 1 1 67 67 ALA N N 15 120.866 0.031 . 1 . . . . 67 ALA N . 15795 1 675 . 1 1 68 68 SER H H 1 7.924 0.004 . 1 . . . . 68 SER H . 15795 1 676 . 1 1 68 68 SER HA H 1 4.127 0.003 . 1 . . . . 68 SER HA . 15795 1 677 . 1 1 68 68 SER HB2 H 1 3.999 0.001 . 1 . . . . 68 SER HB2 . 15795 1 678 . 1 1 68 68 SER C C 13 176.910 0.050 . 1 . . . . 68 SER C . 15795 1 679 . 1 1 68 68 SER CA C 13 61.248 0.050 . 1 . . . . 68 SER CA . 15795 1 680 . 1 1 68 68 SER CB C 13 63.063 0.005 . 1 . . . . 68 SER CB . 15795 1 681 . 1 1 68 68 SER N N 15 113.796 0.041 . 1 . . . . 68 SER N . 15795 1 682 . 1 1 69 69 TYR H H 1 8.113 0.006 . 1 . . . . 69 TYR H . 15795 1 683 . 1 1 69 69 TYR HA H 1 3.851 0.006 . 1 . . . . 69 TYR HA . 15795 1 684 . 1 1 69 69 TYR HD1 H 1 7.069 0.050 . 3 . . . . 69 TYR HD1 . 15795 1 685 . 1 1 69 69 TYR HD2 H 1 7.067 0.006 . 3 . . . . 69 TYR HD2 . 15795 1 686 . 1 1 69 69 TYR HE1 H 1 6.543 0.050 . 3 . . . . 69 TYR HE1 . 15795 1 687 . 1 1 69 69 TYR HE2 H 1 6.543 0.050 . 3 . . . . 69 TYR HE2 . 15795 1 688 . 1 1 69 69 TYR C C 13 178.576 0.050 . 1 . . . . 69 TYR C . 15795 1 689 . 1 1 69 69 TYR CA C 13 62.844 0.028 . 1 . . . . 69 TYR CA . 15795 1 690 . 1 1 69 69 TYR CB C 13 38.041 0.157 . 1 . . . . 69 TYR CB . 15795 1 691 . 1 1 69 69 TYR N N 15 123.906 0.046 . 1 . . . . 69 TYR N . 15795 1 692 . 1 1 70 70 GLU H H 1 8.273 0.003 . 1 . . . . 70 GLU H . 15795 1 693 . 1 1 70 70 GLU HA H 1 4.142 0.003 . 1 . . . . 70 GLU HA . 15795 1 694 . 1 1 70 70 GLU HB2 H 1 1.959 0.005 . 2 . . . . 70 GLU HB2 . 15795 1 695 . 1 1 70 70 GLU HB3 H 1 1.893 0.011 . 2 . . . . 70 GLU HB3 . 15795 1 696 . 1 1 70 70 GLU HG2 H 1 2.596 0.006 . 2 . . . . 70 GLU HG2 . 15795 1 697 . 1 1 70 70 GLU HG3 H 1 2.261 0.004 . 2 . . . . 70 GLU HG3 . 15795 1 698 . 1 1 70 70 GLU C C 13 178.683 0.013 . 1 . . . . 70 GLU C . 15795 1 699 . 1 1 70 70 GLU CA C 13 59.923 0.013 . 1 . . . . 70 GLU CA . 15795 1 700 . 1 1 70 70 GLU CB C 13 29.383 0.055 . 1 . . . . 70 GLU CB . 15795 1 701 . 1 1 70 70 GLU CG C 13 37.416 0.023 . 1 . . . . 70 GLU CG . 15795 1 702 . 1 1 70 70 GLU N N 15 117.528 0.057 . 1 . . . . 70 GLU N . 15795 1 703 . 1 1 71 71 ARG H H 1 8.092 0.004 . 1 . . . . 71 ARG H . 15795 1 704 . 1 1 71 71 ARG HA H 1 4.224 0.002 . 1 . . . . 71 ARG HA . 15795 1 705 . 1 1 71 71 ARG HB2 H 1 1.934 0.002 . 2 . . . . 71 ARG HB2 . 15795 1 706 . 1 1 71 71 ARG HB3 H 1 1.841 0.050 . 2 . . . . 71 ARG HB3 . 15795 1 707 . 1 1 71 71 ARG HD2 H 1 3.178 0.021 . 1 . . . . 71 ARG HD2 . 15795 1 708 . 1 1 71 71 ARG HG2 H 1 1.851 0.004 . 2 . . . . 71 ARG HG2 . 15795 1 709 . 1 1 71 71 ARG HG3 H 1 1.761 0.008 . 2 . . . . 71 ARG HG3 . 15795 1 710 . 1 1 71 71 ARG C C 13 177.503 0.001 . 1 . . . . 71 ARG C . 15795 1 711 . 1 1 71 71 ARG CA C 13 56.908 0.021 . 1 . . . . 71 ARG CA . 15795 1 712 . 1 1 71 71 ARG CB C 13 31.278 0.050 . 1 . . . . 71 ARG CB . 15795 1 713 . 1 1 71 71 ARG CD C 13 43.612 0.012 . 1 . . . . 71 ARG CD . 15795 1 714 . 1 1 71 71 ARG CG C 13 27.892 0.051 . 1 . . . . 71 ARG CG . 15795 1 715 . 1 1 71 71 ARG N N 15 115.293 0.017 . 1 . . . . 71 ARG N . 15795 1 716 . 1 1 72 72 GLY H H 1 7.736 0.006 . 1 . . . . 72 GLY H . 15795 1 717 . 1 1 72 72 GLY HA2 H 1 3.780 0.005 . 2 . . . . 72 GLY HA2 . 15795 1 718 . 1 1 72 72 GLY HA3 H 1 3.662 0.002 . 2 . . . . 72 GLY HA3 . 15795 1 719 . 1 1 72 72 GLY C C 13 174.617 0.010 . 1 . . . . 72 GLY C . 15795 1 720 . 1 1 72 72 GLY CA C 13 45.177 0.021 . 1 . . . . 72 GLY CA . 15795 1 721 . 1 1 72 72 GLY N N 15 106.685 0.047 . 1 . . . . 72 GLY N . 15795 1 722 . 1 1 73 73 THR H H 1 7.786 0.003 . 1 . . . . 73 THR H . 15795 1 723 . 1 1 73 73 THR HA H 1 4.148 0.004 . 1 . . . . 73 THR HA . 15795 1 724 . 1 1 73 73 THR HB H 1 4.349 0.005 . 1 . . . . 73 THR HB . 15795 1 725 . 1 1 73 73 THR HG21 H 1 1.062 0.004 . 1 . . . . 73 THR HG21 . 15795 1 726 . 1 1 73 73 THR HG22 H 1 1.062 0.004 . 1 . . . . 73 THR HG22 . 15795 1 727 . 1 1 73 73 THR HG23 H 1 1.062 0.004 . 1 . . . . 73 THR HG23 . 15795 1 728 . 1 1 73 73 THR C C 13 174.416 0.039 . 1 . . . . 73 THR C . 15795 1 729 . 1 1 73 73 THR CA C 13 61.962 0.040 . 1 . . . . 73 THR CA . 15795 1 730 . 1 1 73 73 THR CB C 13 69.063 0.038 . 1 . . . . 73 THR CB . 15795 1 731 . 1 1 73 73 THR CG2 C 13 22.131 0.026 . 1 . . . . 73 THR CG2 . 15795 1 732 . 1 1 73 73 THR N N 15 109.049 0.038 . 1 . . . . 73 THR N . 15795 1 733 . 1 1 74 74 ALA H H 1 6.492 0.004 . 1 . . . . 74 ALA H . 15795 1 734 . 1 1 74 74 ALA HA H 1 4.000 0.006 . 1 . . . . 74 ALA HA . 15795 1 735 . 1 1 74 74 ALA HB1 H 1 0.528 0.003 . 1 . . . . 74 ALA HB1 . 15795 1 736 . 1 1 74 74 ALA HB2 H 1 0.528 0.003 . 1 . . . . 74 ALA HB2 . 15795 1 737 . 1 1 74 74 ALA HB3 H 1 0.528 0.003 . 1 . . . . 74 ALA HB3 . 15795 1 738 . 1 1 74 74 ALA C C 13 176.585 0.050 . 1 . . . . 74 ALA C . 15795 1 739 . 1 1 74 74 ALA CA C 13 51.867 0.009 . 1 . . . . 74 ALA CA . 15795 1 740 . 1 1 74 74 ALA CB C 13 19.238 0.072 . 1 . . . . 74 ALA CB . 15795 1 741 . 1 1 74 74 ALA N N 15 123.535 0.031 . 1 . . . . 74 ALA N . 15795 1 742 . 1 1 75 75 THR H H 1 8.500 0.003 . 1 . . . . 75 THR H . 15795 1 743 . 1 1 75 75 THR HA H 1 4.540 0.005 . 1 . . . . 75 THR HA . 15795 1 744 . 1 1 75 75 THR HB H 1 4.010 0.005 . 1 . . . . 75 THR HB . 15795 1 745 . 1 1 75 75 THR HG21 H 1 1.236 0.004 . 1 . . . . 75 THR HG21 . 15795 1 746 . 1 1 75 75 THR HG22 H 1 1.236 0.004 . 1 . . . . 75 THR HG22 . 15795 1 747 . 1 1 75 75 THR HG23 H 1 1.236 0.004 . 1 . . . . 75 THR HG23 . 15795 1 748 . 1 1 75 75 THR C C 13 173.058 0.050 . 1 . . . . 75 THR C . 15795 1 749 . 1 1 75 75 THR CA C 13 60.151 0.050 . 1 . . . . 75 THR CA . 15795 1 750 . 1 1 75 75 THR CB C 13 69.530 0.050 . 1 . . . . 75 THR CB . 15795 1 751 . 1 1 75 75 THR CG2 C 13 21.614 0.050 . 1 . . . . 75 THR CG2 . 15795 1 752 . 1 1 75 75 THR N N 15 119.097 0.048 . 1 . . . . 75 THR N . 15795 1 753 . 1 1 76 76 PRO HA H 1 3.879 0.003 . 1 . . . . 76 PRO HA . 15795 1 754 . 1 1 76 76 PRO HB2 H 1 1.873 0.004 . 1 . . . . 76 PRO HB2 . 15795 1 755 . 1 1 76 76 PRO HD2 H 1 3.439 0.004 . 2 . . . . 76 PRO HD2 . 15795 1 756 . 1 1 76 76 PRO HD3 H 1 3.561 0.004 . 2 . . . . 76 PRO HD3 . 15795 1 757 . 1 1 76 76 PRO HG2 H 1 1.631 0.003 . 2 . . . . 76 PRO HG2 . 15795 1 758 . 1 1 76 76 PRO HG3 H 1 2.027 0.003 . 2 . . . . 76 PRO HG3 . 15795 1 759 . 1 1 76 76 PRO C C 13 175.574 0.050 . 1 . . . . 76 PRO C . 15795 1 760 . 1 1 76 76 PRO CA C 13 63.573 0.050 . 1 . . . . 76 PRO CA . 15795 1 761 . 1 1 76 76 PRO CB C 13 31.838 0.042 . 1 . . . . 76 PRO CB . 15795 1 762 . 1 1 76 76 PRO CD C 13 50.431 0.063 . 1 . . . . 76 PRO CD . 15795 1 763 . 1 1 76 76 PRO CG C 13 27.480 0.047 . 1 . . . . 76 PRO CG . 15795 1 764 . 1 1 77 77 ASP H H 1 7.691 0.007 . 1 . . . . 77 ASP H . 15795 1 765 . 1 1 77 77 ASP HA H 1 4.842 0.005 . 1 . . . . 77 ASP HA . 15795 1 766 . 1 1 77 77 ASP HB2 H 1 2.994 0.005 . 2 . . . . 77 ASP HB2 . 15795 1 767 . 1 1 77 77 ASP HB3 H 1 2.597 0.011 . 2 . . . . 77 ASP HB3 . 15795 1 768 . 1 1 77 77 ASP C C 13 176.918 0.050 . 1 . . . . 77 ASP C . 15795 1 769 . 1 1 77 77 ASP CA C 13 52.929 0.017 . 1 . . . . 77 ASP CA . 15795 1 770 . 1 1 77 77 ASP CB C 13 43.262 0.026 . 1 . . . . 77 ASP CB . 15795 1 771 . 1 1 77 77 ASP N N 15 124.466 0.042 . 1 . . . . 77 ASP N . 15795 1 772 . 1 1 78 78 GLN H H 1 9.242 0.007 . 1 . . . . 78 GLN H . 15795 1 773 . 1 1 78 78 GLN HA H 1 3.872 0.004 . 1 . . . . 78 GLN HA . 15795 1 774 . 1 1 78 78 GLN HB2 H 1 2.016 0.009 . 2 . . . . 78 GLN HB2 . 15795 1 775 . 1 1 78 78 GLN HB3 H 1 2.187 0.011 . 2 . . . . 78 GLN HB3 . 15795 1 776 . 1 1 78 78 GLN HE21 H 1 7.030 0.004 . 1 . . . . 78 GLN HE21 . 15795 1 777 . 1 1 78 78 GLN HE22 H 1 7.615 0.001 . 1 . . . . 78 GLN HE22 . 15795 1 778 . 1 1 78 78 GLN HG2 H 1 2.478 0.004 . 1 . . . . 78 GLN HG2 . 15795 1 779 . 1 1 78 78 GLN C C 13 178.043 0.050 . 1 . . . . 78 GLN C . 15795 1 780 . 1 1 78 78 GLN CA C 13 58.812 0.122 . 1 . . . . 78 GLN CA . 15795 1 781 . 1 1 78 78 GLN CB C 13 28.230 0.057 . 1 . . . . 78 GLN CB . 15795 1 782 . 1 1 78 78 GLN CG C 13 33.451 0.035 . 1 . . . . 78 GLN CG . 15795 1 783 . 1 1 78 78 GLN N N 15 124.640 0.065 . 1 . . . . 78 GLN N . 15795 1 784 . 1 1 78 78 GLN NE2 N 15 113.904 0.003 . 1 . . . . 78 GLN NE2 . 15795 1 785 . 1 1 79 79 ASN H H 1 8.599 0.006 . 1 . . . . 79 ASN H . 15795 1 786 . 1 1 79 79 ASN HA H 1 4.498 0.004 . 1 . . . . 79 ASN HA . 15795 1 787 . 1 1 79 79 ASN HB2 H 1 2.976 0.005 . 2 . . . . 79 ASN HB2 . 15795 1 788 . 1 1 79 79 ASN HB3 H 1 2.854 0.005 . 2 . . . . 79 ASN HB3 . 15795 1 789 . 1 1 79 79 ASN HD21 H 1 7.049 0.050 . 1 . . . . 79 ASN HD21 . 15795 1 790 . 1 1 79 79 ASN HD22 H 1 8.020 0.050 . 1 . . . . 79 ASN HD22 . 15795 1 791 . 1 1 79 79 ASN C C 13 177.811 0.016 . 1 . . . . 79 ASN C . 15795 1 792 . 1 1 79 79 ASN CA C 13 56.356 0.013 . 1 . . . . 79 ASN CA . 15795 1 793 . 1 1 79 79 ASN CB C 13 38.267 0.080 . 1 . . . . 79 ASN CB . 15795 1 794 . 1 1 79 79 ASN N N 15 118.359 0.047 . 1 . . . . 79 ASN N . 15795 1 795 . 1 1 79 79 ASN ND2 N 15 115.140 0.020 . 1 . . . . 79 ASN ND2 . 15795 1 796 . 1 1 80 80 ILE H H 1 7.761 0.005 . 1 . . . . 80 ILE H . 15795 1 797 . 1 1 80 80 ILE HA H 1 3.406 0.004 . 1 . . . . 80 ILE HA . 15795 1 798 . 1 1 80 80 ILE HB H 1 2.013 0.010 . 1 . . . . 80 ILE HB . 15795 1 799 . 1 1 80 80 ILE HD11 H 1 0.831 0.004 . 1 . . . . 80 ILE HD11 . 15795 1 800 . 1 1 80 80 ILE HD12 H 1 0.831 0.004 . 1 . . . . 80 ILE HD12 . 15795 1 801 . 1 1 80 80 ILE HD13 H 1 0.831 0.004 . 1 . . . . 80 ILE HD13 . 15795 1 802 . 1 1 80 80 ILE HG12 H 1 0.832 0.004 . 2 . . . . 80 ILE HG12 . 15795 1 803 . 1 1 80 80 ILE HG13 H 1 1.664 0.005 . 2 . . . . 80 ILE HG13 . 15795 1 804 . 1 1 80 80 ILE HG21 H 1 0.313 0.002 . 1 . . . . 80 ILE HG21 . 15795 1 805 . 1 1 80 80 ILE HG22 H 1 0.313 0.002 . 1 . . . . 80 ILE HG22 . 15795 1 806 . 1 1 80 80 ILE HG23 H 1 0.313 0.002 . 1 . . . . 80 ILE HG23 . 15795 1 807 . 1 1 80 80 ILE C C 13 178.350 0.050 . 1 . . . . 80 ILE C . 15795 1 808 . 1 1 80 80 ILE CA C 13 66.502 0.050 . 1 . . . . 80 ILE CA . 15795 1 809 . 1 1 80 80 ILE CB C 13 37.146 0.148 . 1 . . . . 80 ILE CB . 15795 1 810 . 1 1 80 80 ILE CD1 C 13 12.638 0.035 . 1 . . . . 80 ILE CD1 . 15795 1 811 . 1 1 80 80 ILE CG1 C 13 30.252 0.118 . 1 . . . . 80 ILE CG1 . 15795 1 812 . 1 1 80 80 ILE CG2 C 13 17.021 0.040 . 1 . . . . 80 ILE CG2 . 15795 1 813 . 1 1 80 80 ILE N N 15 121.683 0.039 . 1 . . . . 80 ILE N . 15795 1 814 . 1 1 81 81 LEU H H 1 8.114 0.005 . 1 . . . . 81 LEU H . 15795 1 815 . 1 1 81 81 LEU HA H 1 3.895 0.010 . 1 . . . . 81 LEU HA . 15795 1 816 . 1 1 81 81 LEU HB2 H 1 1.148 0.014 . 2 . . . . 81 LEU HB2 . 15795 1 817 . 1 1 81 81 LEU HB3 H 1 1.830 0.011 . 2 . . . . 81 LEU HB3 . 15795 1 818 . 1 1 81 81 LEU HD11 H 1 0.914 0.006 . 2 . . . . 81 LEU HD11 . 15795 1 819 . 1 1 81 81 LEU HD12 H 1 0.914 0.006 . 2 . . . . 81 LEU HD12 . 15795 1 820 . 1 1 81 81 LEU HD13 H 1 0.914 0.006 . 2 . . . . 81 LEU HD13 . 15795 1 821 . 1 1 81 81 LEU HD21 H 1 0.987 0.008 . 2 . . . . 81 LEU HD21 . 15795 1 822 . 1 1 81 81 LEU HD22 H 1 0.987 0.008 . 2 . . . . 81 LEU HD22 . 15795 1 823 . 1 1 81 81 LEU HD23 H 1 0.987 0.008 . 2 . . . . 81 LEU HD23 . 15795 1 824 . 1 1 81 81 LEU HG H 1 1.858 0.000 . 1 . . . . 81 LEU HG . 15795 1 825 . 1 1 81 81 LEU C C 13 178.889 0.036 . 1 . . . . 81 LEU C . 15795 1 826 . 1 1 81 81 LEU CA C 13 58.480 0.004 . 1 . . . . 81 LEU CA . 15795 1 827 . 1 1 81 81 LEU CB C 13 42.011 0.083 . 1 . . . . 81 LEU CB . 15795 1 828 . 1 1 81 81 LEU CD1 C 13 25.938 0.049 . 2 . . . . 81 LEU CD1 . 15795 1 829 . 1 1 81 81 LEU CD2 C 13 24.052 0.054 . 2 . . . . 81 LEU CD2 . 15795 1 830 . 1 1 81 81 LEU CG C 13 27.505 0.021 . 1 . . . . 81 LEU CG . 15795 1 831 . 1 1 81 81 LEU N N 15 117.858 0.048 . 1 . . . . 81 LEU N . 15795 1 832 . 1 1 82 82 SER H H 1 8.140 0.005 . 1 . . . . 82 SER H . 15795 1 833 . 1 1 82 82 SER HA H 1 4.259 0.008 . 1 . . . . 82 SER HA . 15795 1 834 . 1 1 82 82 SER CA C 13 61.918 0.107 . 1 . . . . 82 SER CA . 15795 1 835 . 1 1 82 82 SER CB C 13 63.065 0.050 . 1 . . . . 82 SER CB . 15795 1 836 . 1 1 82 82 SER N N 15 113.866 0.035 . 1 . . . . 82 SER N . 15795 1 837 . 1 1 83 83 LYS H H 1 7.811 0.005 . 1 . . . . 83 LYS H . 15795 1 838 . 1 1 83 83 LYS HA H 1 4.044 0.007 . 1 . . . . 83 LYS HA . 15795 1 839 . 1 1 83 83 LYS HB2 H 1 1.974 0.007 . 2 . . . . 83 LYS HB2 . 15795 1 840 . 1 1 83 83 LYS HB3 H 1 1.661 0.003 . 2 . . . . 83 LYS HB3 . 15795 1 841 . 1 1 83 83 LYS HD2 H 1 1.820 0.017 . 2 . . . . 83 LYS HD2 . 15795 1 842 . 1 1 83 83 LYS HD3 H 1 1.713 0.025 . 2 . . . . 83 LYS HD3 . 15795 1 843 . 1 1 83 83 LYS HE2 H 1 2.839 0.015 . 2 . . . . 83 LYS HE2 . 15795 1 844 . 1 1 83 83 LYS HE3 H 1 2.780 0.009 . 2 . . . . 83 LYS HE3 . 15795 1 845 . 1 1 83 83 LYS HG2 H 1 1.886 0.009 . 2 . . . . 83 LYS HG2 . 15795 1 846 . 1 1 83 83 LYS HG3 H 1 1.441 0.000 . 2 . . . . 83 LYS HG3 . 15795 1 847 . 1 1 83 83 LYS C C 13 179.432 0.050 . 1 . . . . 83 LYS C . 15795 1 848 . 1 1 83 83 LYS CA C 13 60.688 0.044 . 1 . . . . 83 LYS CA . 15795 1 849 . 1 1 83 83 LYS CB C 13 32.635 0.056 . 1 . . . . 83 LYS CB . 15795 1 850 . 1 1 83 83 LYS CD C 13 30.108 0.052 . 1 . . . . 83 LYS CD . 15795 1 851 . 1 1 83 83 LYS CE C 13 42.291 0.055 . 1 . . . . 83 LYS CE . 15795 1 852 . 1 1 83 83 LYS CG C 13 26.015 0.030 . 1 . . . . 83 LYS CG . 15795 1 853 . 1 1 83 83 LYS N N 15 121.913 0.042 . 1 . . . . 83 LYS N . 15795 1 854 . 1 1 84 84 MET H H 1 8.287 0.003 . 1 . . . . 84 MET H . 15795 1 855 . 1 1 84 84 MET HA H 1 3.686 0.007 . 1 . . . . 84 MET HA . 15795 1 856 . 1 1 84 84 MET HB2 H 1 2.174 0.010 . 2 . . . . 84 MET HB2 . 15795 1 857 . 1 1 84 84 MET HB3 H 1 1.690 0.008 . 2 . . . . 84 MET HB3 . 15795 1 858 . 1 1 84 84 MET HE1 H 1 1.404 0.001 . 1 . . . . 84 MET HE1 . 15795 1 859 . 1 1 84 84 MET HE2 H 1 1.404 0.001 . 1 . . . . 84 MET HE2 . 15795 1 860 . 1 1 84 84 MET HE3 H 1 1.404 0.001 . 1 . . . . 84 MET HE3 . 15795 1 861 . 1 1 84 84 MET C C 13 177.759 0.039 . 1 . . . . 84 MET C . 15795 1 862 . 1 1 84 84 MET CA C 13 60.805 0.020 . 1 . . . . 84 MET CA . 15795 1 863 . 1 1 84 84 MET CB C 13 33.231 0.022 . 1 . . . . 84 MET CB . 15795 1 864 . 1 1 84 84 MET CE C 13 17.512 0.053 . 1 . . . . 84 MET CE . 15795 1 865 . 1 1 84 84 MET CG C 13 35.377 0.031 . 1 . . . . 84 MET CG . 15795 1 866 . 1 1 84 84 MET N N 15 117.857 0.061 . 1 . . . . 84 MET N . 15795 1 867 . 1 1 85 85 GLU H H 1 8.502 0.003 . 1 . . . . 85 GLU H . 15795 1 868 . 1 1 85 85 GLU HA H 1 4.110 0.005 . 1 . . . . 85 GLU HA . 15795 1 869 . 1 1 85 85 GLU HG2 H 1 2.804 0.009 . 2 . . . . 85 GLU HG2 . 15795 1 870 . 1 1 85 85 GLU HG3 H 1 2.747 0.008 . 2 . . . . 85 GLU HG3 . 15795 1 871 . 1 1 85 85 GLU C C 13 179.803 0.036 . 1 . . . . 85 GLU C . 15795 1 872 . 1 1 85 85 GLU CA C 13 60.039 0.073 . 1 . . . . 85 GLU CA . 15795 1 873 . 1 1 85 85 GLU CB C 13 30.805 0.044 . 1 . . . . 85 GLU CB . 15795 1 874 . 1 1 85 85 GLU CG C 13 36.977 0.040 . 1 . . . . 85 GLU CG . 15795 1 875 . 1 1 85 85 GLU N N 15 118.651 0.033 . 1 . . . . 85 GLU N . 15795 1 876 . 1 1 86 86 ARG H H 1 7.314 0.006 . 1 . . . . 86 ARG H . 15795 1 877 . 1 1 86 86 ARG HA H 1 4.029 0.005 . 1 . . . . 86 ARG HA . 15795 1 878 . 1 1 86 86 ARG HB2 H 1 2.006 0.008 . 2 . . . . 86 ARG HB2 . 15795 1 879 . 1 1 86 86 ARG HB3 H 1 1.945 0.014 . 2 . . . . 86 ARG HB3 . 15795 1 880 . 1 1 86 86 ARG HD2 H 1 3.214 0.006 . 1 . . . . 86 ARG HD2 . 15795 1 881 . 1 1 86 86 ARG HG2 H 1 1.801 0.006 . 2 . . . . 86 ARG HG2 . 15795 1 882 . 1 1 86 86 ARG HG3 H 1 1.616 0.004 . 2 . . . . 86 ARG HG3 . 15795 1 883 . 1 1 86 86 ARG C C 13 178.214 0.035 . 1 . . . . 86 ARG C . 15795 1 884 . 1 1 86 86 ARG CA C 13 58.861 0.021 . 1 . . . . 86 ARG CA . 15795 1 885 . 1 1 86 86 ARG CB C 13 30.080 0.071 . 1 . . . . 86 ARG CB . 15795 1 886 . 1 1 86 86 ARG CD C 13 43.387 0.100 . 1 . . . . 86 ARG CD . 15795 1 887 . 1 1 86 86 ARG CG C 13 27.604 0.078 . 1 . . . . 86 ARG CG . 15795 1 888 . 1 1 86 86 ARG N N 15 116.217 0.044 . 1 . . . . 86 ARG N . 15795 1 889 . 1 1 87 87 VAL H H 1 7.592 0.005 . 1 . . . . 87 VAL H . 15795 1 890 . 1 1 87 87 VAL HA H 1 3.780 0.004 . 1 . . . . 87 VAL HA . 15795 1 891 . 1 1 87 87 VAL HB H 1 1.773 0.005 . 1 . . . . 87 VAL HB . 15795 1 892 . 1 1 87 87 VAL C C 13 177.155 0.050 . 1 . . . . 87 VAL C . 15795 1 893 . 1 1 87 87 VAL CA C 13 65.417 0.078 . 1 . . . . 87 VAL CA . 15795 1 894 . 1 1 87 87 VAL CB C 13 32.914 0.020 . 1 . . . . 87 VAL CB . 15795 1 895 . 1 1 87 87 VAL CG1 C 13 23.308 0.050 . 2 . . . . 87 VAL CG1 . 15795 1 896 . 1 1 87 87 VAL CG2 C 13 21.438 0.063 . 2 . . . . 87 VAL CG2 . 15795 1 897 . 1 1 87 87 VAL N N 15 118.141 0.061 . 1 . . . . 87 VAL N . 15795 1 898 . 1 1 88 88 LEU H H 1 8.335 0.005 . 1 . . . . 88 LEU H . 15795 1 899 . 1 1 88 88 LEU HA H 1 4.366 0.005 . 1 . . . . 88 LEU HA . 15795 1 900 . 1 1 88 88 LEU HB2 H 1 1.877 0.009 . 2 . . . . 88 LEU HB2 . 15795 1 901 . 1 1 88 88 LEU HB3 H 1 1.358 0.004 . 2 . . . . 88 LEU HB3 . 15795 1 902 . 1 1 88 88 LEU C C 13 176.606 0.014 . 1 . . . . 88 LEU C . 15795 1 903 . 1 1 88 88 LEU CA C 13 55.161 0.098 . 1 . . . . 88 LEU CA . 15795 1 904 . 1 1 88 88 LEU CB C 13 43.835 0.027 . 1 . . . . 88 LEU CB . 15795 1 905 . 1 1 88 88 LEU CD1 C 13 26.867 0.056 . 2 . . . . 88 LEU CD1 . 15795 1 906 . 1 1 88 88 LEU CD2 C 13 23.058 0.056 . 2 . . . . 88 LEU CD2 . 15795 1 907 . 1 1 88 88 LEU N N 15 113.828 0.037 . 1 . . . . 88 LEU N . 15795 1 908 . 1 1 89 89 ASN H H 1 8.128 0.002 . 1 . . . . 89 ASN H . 15795 1 909 . 1 1 89 89 ASN HA H 1 4.459 0.003 . 1 . . . . 89 ASN HA . 15795 1 910 . 1 1 89 89 ASN HB2 H 1 2.676 0.005 . 2 . . . . 89 ASN HB2 . 15795 1 911 . 1 1 89 89 ASN HB3 H 1 3.253 0.005 . 2 . . . . 89 ASN HB3 . 15795 1 912 . 1 1 89 89 ASN HD21 H 1 6.862 0.002 . 1 . . . . 89 ASN HD21 . 15795 1 913 . 1 1 89 89 ASN HD22 H 1 7.566 0.001 . 1 . . . . 89 ASN HD22 . 15795 1 914 . 1 1 89 89 ASN C C 13 175.015 0.000 . 1 . . . . 89 ASN C . 15795 1 915 . 1 1 89 89 ASN CA C 13 54.514 0.050 . 1 . . . . 89 ASN CA . 15795 1 916 . 1 1 89 89 ASN CB C 13 37.004 0.022 . 1 . . . . 89 ASN CB . 15795 1 917 . 1 1 89 89 ASN N N 15 115.645 0.074 . 1 . . . . 89 ASN N . 15795 1 918 . 1 1 89 89 ASN ND2 N 15 111.713 0.008 . 1 . . . . 89 ASN ND2 . 15795 1 919 . 1 1 90 90 VAL H H 1 7.349 0.005 . 1 . . . . 90 VAL H . 15795 1 920 . 1 1 90 90 VAL HA H 1 4.738 0.008 . 1 . . . . 90 VAL HA . 15795 1 921 . 1 1 90 90 VAL HB H 1 1.743 0.009 . 1 . . . . 90 VAL HB . 15795 1 922 . 1 1 90 90 VAL C C 13 173.605 0.004 . 1 . . . . 90 VAL C . 15795 1 923 . 1 1 90 90 VAL CA C 13 58.943 0.037 . 1 . . . . 90 VAL CA . 15795 1 924 . 1 1 90 90 VAL CB C 13 36.203 0.081 . 1 . . . . 90 VAL CB . 15795 1 925 . 1 1 90 90 VAL CG1 C 13 19.369 0.061 . 2 . . . . 90 VAL CG1 . 15795 1 926 . 1 1 90 90 VAL CG2 C 13 21.507 0.034 . 2 . . . . 90 VAL CG2 . 15795 1 927 . 1 1 90 90 VAL N N 15 112.462 0.043 . 1 . . . . 90 VAL N . 15795 1 928 . 1 1 91 91 LYS H H 1 8.494 0.005 . 1 . . . . 91 LYS H . 15795 1 929 . 1 1 91 91 LYS HA H 1 4.255 0.021 . 1 . . . . 91 LYS HA . 15795 1 930 . 1 1 91 91 LYS HB2 H 1 1.808 0.012 . 2 . . . . 91 LYS HB2 . 15795 1 931 . 1 1 91 91 LYS HB3 H 1 1.739 0.008 . 2 . . . . 91 LYS HB3 . 15795 1 932 . 1 1 91 91 LYS HD2 H 1 1.665 0.005 . 1 . . . . 91 LYS HD2 . 15795 1 933 . 1 1 91 91 LYS HE2 H 1 2.975 0.002 . 1 . . . . 91 LYS HE2 . 15795 1 934 . 1 1 91 91 LYS HG2 H 1 1.417 0.011 . 2 . . . . 91 LYS HG2 . 15795 1 935 . 1 1 91 91 LYS HG3 H 1 1.313 0.002 . 2 . . . . 91 LYS HG3 . 15795 1 936 . 1 1 91 91 LYS C C 13 176.926 0.050 . 1 . . . . 91 LYS C . 15795 1 937 . 1 1 91 91 LYS CA C 13 56.507 0.013 . 1 . . . . 91 LYS CA . 15795 1 938 . 1 1 91 91 LYS CB C 13 33.173 0.052 . 1 . . . . 91 LYS CB . 15795 1 939 . 1 1 91 91 LYS CD C 13 29.109 0.023 . 1 . . . . 91 LYS CD . 15795 1 940 . 1 1 91 91 LYS CE C 13 42.127 0.017 . 1 . . . . 91 LYS CE . 15795 1 941 . 1 1 91 91 LYS CG C 13 24.718 0.043 . 1 . . . . 91 LYS CG . 15795 1 942 . 1 1 91 91 LYS N N 15 121.123 0.048 . 1 . . . . 91 LYS N . 15795 1 943 . 1 1 92 92 LEU H H 1 10.159 0.004 . 1 . . . . 92 LEU H . 15795 1 944 . 1 1 92 92 LEU HA H 1 4.636 0.005 . 1 . . . . 92 LEU HA . 15795 1 945 . 1 1 92 92 LEU HB2 H 1 1.515 0.008 . 2 . . . . 92 LEU HB2 . 15795 1 946 . 1 1 92 92 LEU HB3 H 1 1.794 0.008 . 2 . . . . 92 LEU HB3 . 15795 1 947 . 1 1 92 92 LEU HG H 1 1.604 0.007 . 1 . . . . 92 LEU HG . 15795 1 948 . 1 1 92 92 LEU C C 13 174.204 0.050 . 1 . . . . 92 LEU C . 15795 1 949 . 1 1 92 92 LEU CA C 13 54.191 0.023 . 1 . . . . 92 LEU CA . 15795 1 950 . 1 1 92 92 LEU CB C 13 43.940 0.050 . 1 . . . . 92 LEU CB . 15795 1 951 . 1 1 92 92 LEU CD1 C 13 27.027 0.067 . 2 . . . . 92 LEU CD1 . 15795 1 952 . 1 1 92 92 LEU CD2 C 13 24.258 0.068 . 2 . . . . 92 LEU CD2 . 15795 1 953 . 1 1 92 92 LEU N N 15 124.326 0.039 . 1 . . . . 92 LEU N . 15795 1 954 . 1 1 93 93 ARG H H 1 7.295 0.004 . 1 . . . . 93 ARG H . 15795 1 955 . 1 1 93 93 ARG HA H 1 4.449 0.004 . 1 . . . . 93 ARG HA . 15795 1 956 . 1 1 93 93 ARG HB2 H 1 1.852 0.005 . 2 . . . . 93 ARG HB2 . 15795 1 957 . 1 1 93 93 ARG HB3 H 1 1.736 0.003 . 2 . . . . 93 ARG HB3 . 15795 1 958 . 1 1 93 93 ARG HD2 H 1 3.231 0.005 . 2 . . . . 93 ARG HD2 . 15795 1 959 . 1 1 93 93 ARG HD3 H 1 3.101 0.001 . 2 . . . . 93 ARG HD3 . 15795 1 960 . 1 1 93 93 ARG HG2 H 1 1.717 0.002 . 2 . . . . 93 ARG HG2 . 15795 1 961 . 1 1 93 93 ARG HG3 H 1 1.429 0.003 . 2 . . . . 93 ARG HG3 . 15795 1 962 . 1 1 93 93 ARG C C 13 175.851 0.050 . 1 . . . . 93 ARG C . 15795 1 963 . 1 1 93 93 ARG CA C 13 54.771 0.056 . 1 . . . . 93 ARG CA . 15795 1 964 . 1 1 93 93 ARG CB C 13 33.443 0.043 . 1 . . . . 93 ARG CB . 15795 1 965 . 1 1 93 93 ARG CD C 13 43.499 0.011 . 1 . . . . 93 ARG CD . 15795 1 966 . 1 1 93 93 ARG CG C 13 27.433 0.081 . 1 . . . . 93 ARG CG . 15795 1 967 . 1 1 93 93 ARG N N 15 116.115 0.049 . 1 . . . . 93 ARG N . 15795 1 968 . 1 1 94 94 GLY H H 1 8.544 0.003 . 1 . . . . 94 GLY H . 15795 1 969 . 1 1 94 94 GLY HA2 H 1 4.099 0.004 . 2 . . . . 94 GLY HA2 . 15795 1 970 . 1 1 94 94 GLY HA3 H 1 3.737 0.007 . 2 . . . . 94 GLY HA3 . 15795 1 971 . 1 1 94 94 GLY C C 13 173.472 0.050 . 1 . . . . 94 GLY C . 15795 1 972 . 1 1 94 94 GLY CA C 13 44.962 0.031 . 1 . . . . 94 GLY CA . 15795 1 973 . 1 1 94 94 GLY N N 15 109.139 0.040 . 1 . . . . 94 GLY N . 15795 1 974 . 1 1 95 95 ALA H H 1 8.247 0.006 . 1 . . . . 95 ALA H . 15795 1 975 . 1 1 95 95 ALA HA H 1 4.225 0.005 . 1 . . . . 95 ALA HA . 15795 1 976 . 1 1 95 95 ALA HB1 H 1 1.331 0.005 . 1 . . . . 95 ALA HB1 . 15795 1 977 . 1 1 95 95 ALA HB2 H 1 1.331 0.005 . 1 . . . . 95 ALA HB2 . 15795 1 978 . 1 1 95 95 ALA HB3 H 1 1.331 0.005 . 1 . . . . 95 ALA HB3 . 15795 1 979 . 1 1 95 95 ALA C C 13 177.719 0.050 . 1 . . . . 95 ALA C . 15795 1 980 . 1 1 95 95 ALA CA C 13 52.834 0.106 . 1 . . . . 95 ALA CA . 15795 1 981 . 1 1 95 95 ALA CB C 13 19.564 0.154 . 1 . . . . 95 ALA CB . 15795 1 982 . 1 1 95 95 ALA N N 15 122.274 0.030 . 1 . . . . 95 ALA N . 15795 1 983 . 1 1 96 96 ASN H H 1 8.592 0.006 . 1 . . . . 96 ASN H . 15795 1 984 . 1 1 96 96 ASN HA H 1 4.653 0.004 . 1 . . . . 96 ASN HA . 15795 1 985 . 1 1 96 96 ASN HB2 H 1 2.786 0.002 . 2 . . . . 96 ASN HB2 . 15795 1 986 . 1 1 96 96 ASN HB3 H 1 2.633 0.003 . 2 . . . . 96 ASN HB3 . 15795 1 987 . 1 1 96 96 ASN HD21 H 1 6.884 0.002 . 1 . . . . 96 ASN HD21 . 15795 1 988 . 1 1 96 96 ASN HD22 H 1 7.556 0.002 . 1 . . . . 96 ASN HD22 . 15795 1 989 . 1 1 96 96 ASN C C 13 174.110 0.050 . 1 . . . . 96 ASN C . 15795 1 990 . 1 1 96 96 ASN CA C 13 52.747 0.064 . 1 . . . . 96 ASN CA . 15795 1 991 . 1 1 96 96 ASN CB C 13 38.449 0.037 . 1 . . . . 96 ASN CB . 15795 1 992 . 1 1 96 96 ASN N N 15 116.823 0.037 . 1 . . . . 96 ASN N . 15795 1 993 . 1 1 96 96 ASN ND2 N 15 113.116 0.037 . 1 . . . . 96 ASN ND2 . 15795 1 994 . 1 1 97 97 ILE H H 1 7.727 0.007 . 1 . . . . 97 ILE H . 15795 1 995 . 1 1 97 97 ILE HA H 1 3.578 0.003 . 1 . . . . 97 ILE HA . 15795 1 996 . 1 1 97 97 ILE HB H 1 1.696 0.006 . 1 . . . . 97 ILE HB . 15795 1 997 . 1 1 97 97 ILE HD11 H 1 0.660 0.006 . 1 . . . . 97 ILE HD11 . 15795 1 998 . 1 1 97 97 ILE HD12 H 1 0.660 0.006 . 1 . . . . 97 ILE HD12 . 15795 1 999 . 1 1 97 97 ILE HD13 H 1 0.660 0.006 . 1 . . . . 97 ILE HD13 . 15795 1 1000 . 1 1 97 97 ILE HG21 H 1 0.753 0.004 . 1 . . . . 97 ILE HG21 . 15795 1 1001 . 1 1 97 97 ILE HG22 H 1 0.753 0.004 . 1 . . . . 97 ILE HG22 . 15795 1 1002 . 1 1 97 97 ILE HG23 H 1 0.753 0.004 . 1 . . . . 97 ILE HG23 . 15795 1 1003 . 1 1 97 97 ILE C C 13 177.969 0.050 . 1 . . . . 97 ILE C . 15795 1 1004 . 1 1 97 97 ILE CA C 13 62.147 0.006 . 1 . . . . 97 ILE CA . 15795 1 1005 . 1 1 97 97 ILE CB C 13 37.286 0.074 . 1 . . . . 97 ILE CB . 15795 1 1006 . 1 1 97 97 ILE CD1 C 13 12.637 0.063 . 1 . . . . 97 ILE CD1 . 15795 1 1007 . 1 1 97 97 ILE CG1 C 13 27.814 0.046 . 1 . . . . 97 ILE CG1 . 15795 1 1008 . 1 1 97 97 ILE CG2 C 13 17.565 0.040 . 1 . . . . 97 ILE CG2 . 15795 1 1009 . 1 1 97 97 ILE N N 15 119.584 0.037 . 1 . . . . 97 ILE N . 15795 1 1010 . 1 1 98 98 GLY H H 1 9.185 0.008 . 1 . . . . 98 GLY H . 15795 1 1011 . 1 1 98 98 GLY HA2 H 1 3.503 0.005 . 2 . . . . 98 GLY HA2 . 15795 1 1012 . 1 1 98 98 GLY HA3 H 1 4.336 0.006 . 2 . . . . 98 GLY HA3 . 15795 1 1013 . 1 1 98 98 GLY C C 13 173.435 0.050 . 1 . . . . 98 GLY C . 15795 1 1014 . 1 1 98 98 GLY CA C 13 44.777 0.034 . 1 . . . . 98 GLY CA . 15795 1 1015 . 1 1 98 98 GLY N N 15 114.857 0.042 . 1 . . . . 98 GLY N . 15795 1 1016 . 1 1 99 99 ALA H H 1 7.922 0.007 . 1 . . . . 99 ALA H . 15795 1 1017 . 1 1 99 99 ALA HA H 1 4.576 0.004 . 1 . . . . 99 ALA HA . 15795 1 1018 . 1 1 99 99 ALA HB1 H 1 1.398 0.003 . 1 . . . . 99 ALA HB1 . 15795 1 1019 . 1 1 99 99 ALA HB2 H 1 1.398 0.003 . 1 . . . . 99 ALA HB2 . 15795 1 1020 . 1 1 99 99 ALA HB3 H 1 1.398 0.003 . 1 . . . . 99 ALA HB3 . 15795 1 1021 . 1 1 99 99 ALA C C 13 174.391 0.050 . 1 . . . . 99 ALA C . 15795 1 1022 . 1 1 99 99 ALA CA C 13 50.675 0.050 . 1 . . . . 99 ALA CA . 15795 1 1023 . 1 1 99 99 ALA CB C 13 18.147 0.052 . 1 . . . . 99 ALA CB . 15795 1 1024 . 1 1 99 99 ALA N N 15 124.662 0.046 . 1 . . . . 99 ALA N . 15795 1 1025 . 1 1 100 100 PRO HA H 1 4.565 0.003 . 1 . . . . 100 PRO HA . 15795 1 1026 . 1 1 100 100 PRO HB2 H 1 2.281 0.003 . 2 . . . . 100 PRO HB2 . 15795 1 1027 . 1 1 100 100 PRO HB3 H 1 1.768 0.004 . 2 . . . . 100 PRO HB3 . 15795 1 1028 . 1 1 100 100 PRO HD2 H 1 3.586 0.001 . 2 . . . . 100 PRO HD2 . 15795 1 1029 . 1 1 100 100 PRO HD3 H 1 3.821 0.002 . 2 . . . . 100 PRO HD3 . 15795 1 1030 . 1 1 100 100 PRO HG2 H 1 2.014 0.002 . 1 . . . . 100 PRO HG2 . 15795 1 1031 . 1 1 100 100 PRO C C 13 176.857 0.050 . 1 . . . . 100 PRO C . 15795 1 1032 . 1 1 100 100 PRO CA C 13 62.842 0.050 . 1 . . . . 100 PRO CA . 15795 1 1033 . 1 1 100 100 PRO CB C 13 31.934 0.037 . 1 . . . . 100 PRO CB . 15795 1 1034 . 1 1 100 100 PRO CD C 13 50.246 0.082 . 1 . . . . 100 PRO CD . 15795 1 1035 . 1 1 100 100 PRO CG C 13 27.773 0.032 . 1 . . . . 100 PRO CG . 15795 1 1036 . 1 1 101 101 ARG H H 1 7.508 0.009 . 1 . . . . 101 ARG H . 15795 1 1037 . 1 1 101 101 ARG HA H 1 4.067 0.009 . 1 . . . . 101 ARG HA . 15795 1 1038 . 1 1 101 101 ARG HB2 H 1 1.431 0.003 . 2 . . . . 101 ARG HB2 . 15795 1 1039 . 1 1 101 101 ARG HB3 H 1 1.788 0.004 . 2 . . . . 101 ARG HB3 . 15795 1 1040 . 1 1 101 101 ARG HD2 H 1 3.052 0.003 . 2 . . . . 101 ARG HD2 . 15795 1 1041 . 1 1 101 101 ARG HD3 H 1 3.149 0.002 . 2 . . . . 101 ARG HD3 . 15795 1 1042 . 1 1 101 101 ARG HG2 H 1 1.485 0.004 . 2 . . . . 101 ARG HG2 . 15795 1 1043 . 1 1 101 101 ARG HG3 H 1 1.446 0.004 . 2 . . . . 101 ARG HG3 . 15795 1 1044 . 1 1 101 101 ARG CA C 13 57.100 0.055 . 1 . . . . 101 ARG CA . 15795 1 1045 . 1 1 101 101 ARG CB C 13 30.869 0.061 . 1 . . . . 101 ARG CB . 15795 1 1046 . 1 1 101 101 ARG CD C 13 43.529 0.026 . 1 . . . . 101 ARG CD . 15795 1 1047 . 1 1 101 101 ARG CG C 13 27.777 0.041 . 1 . . . . 101 ARG CG . 15795 1 1048 . 1 1 101 101 ARG N N 15 122.262 0.035 . 1 . . . . 101 ARG N . 15795 1 1049 . 1 1 102 102 LEU H H 1 8.446 0.003 . 1 . . . . 102 LEU H . 15795 1 1050 . 1 1 102 102 LEU HA H 1 4.442 0.006 . 1 . . . . 102 LEU HA . 15795 1 1051 . 1 1 102 102 LEU HB2 H 1 1.646 0.009 . 2 . . . . 102 LEU HB2 . 15795 1 1052 . 1 1 102 102 LEU HB3 H 1 1.552 0.010 . 2 . . . . 102 LEU HB3 . 15795 1 1053 . 1 1 102 102 LEU HG H 1 1.544 0.002 . 1 . . . . 102 LEU HG . 15795 1 1054 . 1 1 102 102 LEU C C 13 177.251 0.050 . 1 . . . . 102 LEU C . 15795 1 1055 . 1 1 102 102 LEU CA C 13 54.479 0.002 . 1 . . . . 102 LEU CA . 15795 1 1056 . 1 1 102 102 LEU CB C 13 42.796 0.031 . 1 . . . . 102 LEU CB . 15795 1 1057 . 1 1 102 102 LEU CD1 C 13 23.210 0.032 . 2 . . . . 102 LEU CD1 . 15795 1 1058 . 1 1 102 102 LEU CD2 C 13 25.095 0.038 . 2 . . . . 102 LEU CD2 . 15795 1 1059 . 1 1 102 102 LEU CG C 13 26.992 0.031 . 1 . . . . 102 LEU CG . 15795 1 1060 . 1 1 102 102 LEU N N 15 122.206 0.039 . 1 . . . . 102 LEU N . 15795 1 1061 . 1 1 103 103 GLY H H 1 8.198 0.006 . 1 . . . . 103 GLY H . 15795 1 1062 . 1 1 103 103 GLY HA2 H 1 4.118 0.005 . 2 . . . . 103 GLY HA2 . 15795 1 1063 . 1 1 103 103 GLY HA3 H 1 3.974 0.004 . 2 . . . . 103 GLY HA3 . 15795 1 1064 . 1 1 103 103 GLY C C 13 171.476 0.050 . 1 . . . . 103 GLY C . 15795 1 1065 . 1 1 103 103 GLY CA C 13 44.466 0.022 . 1 . . . . 103 GLY CA . 15795 1 1066 . 1 1 103 103 GLY N N 15 109.932 0.046 . 1 . . . . 103 GLY N . 15795 1 1067 . 1 1 104 104 PRO HA H 1 4.396 0.011 . 1 . . . . 104 PRO HA . 15795 1 1068 . 1 1 104 104 PRO HB2 H 1 1.886 0.004 . 2 . . . . 104 PRO HB2 . 15795 1 1069 . 1 1 104 104 PRO HB3 H 1 2.247 0.003 . 2 . . . . 104 PRO HB3 . 15795 1 1070 . 1 1 104 104 PRO HD2 H 1 3.589 0.004 . 1 . . . . 104 PRO HD2 . 15795 1 1071 . 1 1 104 104 PRO HG2 H 1 1.989 0.007 . 1 . . . . 104 PRO HG2 . 15795 1 1072 . 1 1 104 104 PRO CA C 13 63.012 0.065 . 1 . . . . 104 PRO CA . 15795 1 1073 . 1 1 104 104 PRO CB C 13 32.136 0.140 . 1 . . . . 104 PRO CB . 15795 1 1074 . 1 1 104 104 PRO CD C 13 49.834 0.040 . 1 . . . . 104 PRO CD . 15795 1 1075 . 1 1 104 104 PRO CG C 13 27.344 0.073 . 1 . . . . 104 PRO CG . 15795 1 1076 . 1 1 105 105 LYS H H 1 8.384 0.003 . 1 . . . . 105 LYS H . 15795 1 1077 . 1 1 105 105 LYS HA H 1 4.268 0.004 . 1 . . . . 105 LYS HA . 15795 1 1078 . 1 1 105 105 LYS HB2 H 1 1.739 0.050 . 2 . . . . 105 LYS HB2 . 15795 1 1079 . 1 1 105 105 LYS HB3 H 1 1.786 0.050 . 2 . . . . 105 LYS HB3 . 15795 1 1080 . 1 1 105 105 LYS HE2 H 1 2.993 0.050 . 1 . . . . 105 LYS HE2 . 15795 1 1081 . 1 1 105 105 LYS HG2 H 1 1.430 0.004 . 1 . . . . 105 LYS HG2 . 15795 1 1082 . 1 1 105 105 LYS C C 13 176.489 0.000 . 1 . . . . 105 LYS C . 15795 1 1083 . 1 1 105 105 LYS CA C 13 56.365 0.002 . 1 . . . . 105 LYS CA . 15795 1 1084 . 1 1 105 105 LYS CB C 13 33.051 0.112 . 1 . . . . 105 LYS CB . 15795 1 1085 . 1 1 105 105 LYS CG C 13 24.800 0.050 . 1 . . . . 105 LYS CG . 15795 1 1086 . 1 1 105 105 LYS N N 15 121.828 0.045 . 1 . . . . 105 LYS N . 15795 1 1087 . 1 1 106 106 LYS H H 1 8.333 0.010 . 1 . . . . 106 LYS H . 15795 1 1088 . 1 1 106 106 LYS HA H 1 4.276 0.007 . 1 . . . . 106 LYS HA . 15795 1 1089 . 1 1 106 106 LYS HB2 H 1 1.733 0.003 . 2 . . . . 106 LYS HB2 . 15795 1 1090 . 1 1 106 106 LYS HB3 H 1 1.816 0.004 . 2 . . . . 106 LYS HB3 . 15795 1 1091 . 1 1 106 106 LYS HE2 H 1 2.979 0.050 . 1 . . . . 106 LYS HE2 . 15795 1 1092 . 1 1 106 106 LYS HG2 H 1 1.427 0.050 . 1 . . . . 106 LYS HG2 . 15795 1 1093 . 1 1 106 106 LYS C C 13 175.487 0.050 . 1 . . . . 106 LYS C . 15795 1 1094 . 1 1 106 106 LYS CA C 13 56.420 0.067 . 1 . . . . 106 LYS CA . 15795 1 1095 . 1 1 106 106 LYS CB C 13 33.175 0.042 . 1 . . . . 106 LYS CB . 15795 1 1096 . 1 1 106 106 LYS CG C 13 24.800 0.050 . 1 . . . . 106 LYS CG . 15795 1 1097 . 1 1 106 106 LYS N N 15 123.973 0.030 . 1 . . . . 106 LYS N . 15795 1 1098 . 1 1 107 107 LYS H H 1 7.958 0.008 . 1 . . . . 107 LYS H . 15795 1 1099 . 1 1 107 107 LYS HA H 1 4.108 0.002 . 1 . . . . 107 LYS HA . 15795 1 1100 . 1 1 107 107 LYS HB2 H 1 1.772 0.002 . 2 . . . . 107 LYS HB2 . 15795 1 1101 . 1 1 107 107 LYS HB3 H 1 1.683 0.001 . 2 . . . . 107 LYS HB3 . 15795 1 1102 . 1 1 107 107 LYS HD2 H 1 1.651 0.001 . 1 . . . . 107 LYS HD2 . 15795 1 1103 . 1 1 107 107 LYS HE2 H 1 2.975 0.002 . 1 . . . . 107 LYS HE2 . 15795 1 1104 . 1 1 107 107 LYS HG2 H 1 1.376 0.005 . 1 . . . . 107 LYS HG2 . 15795 1 1105 . 1 1 107 107 LYS C C 13 181.183 0.050 . 1 . . . . 107 LYS C . 15795 1 1106 . 1 1 107 107 LYS CA C 13 57.918 0.050 . 1 . . . . 107 LYS CA . 15795 1 1107 . 1 1 107 107 LYS CB C 13 33.666 0.089 . 1 . . . . 107 LYS CB . 15795 1 1108 . 1 1 107 107 LYS CD C 13 29.295 0.090 . 1 . . . . 107 LYS CD . 15795 1 1109 . 1 1 107 107 LYS CE C 13 42.154 0.038 . 1 . . . . 107 LYS CE . 15795 1 1110 . 1 1 107 107 LYS CG C 13 24.748 0.012 . 1 . . . . 107 LYS CG . 15795 1 1111 . 1 1 107 107 LYS N N 15 128.292 0.028 . 1 . . . . 107 LYS N . 15795 1 stop_ save_ ########################################## # Hydrogen exchange protection factors # ########################################## save_H_exch_protection_factor_list_1 _H_exch_protection_factor_list.Sf_category H_exch_protection_factors _H_exch_protection_factor_list.Sf_framecode H_exch_protection_factor_list_1 _H_exch_protection_factor_list.Entry_ID 15795 _H_exch_protection_factor_list.ID 1 _H_exch_protection_factor_list.Sample_condition_list_ID 1 _H_exch_protection_factor_list.Sample_condition_list_label $sample_conditions_1 _H_exch_protection_factor_list.Std_values_source_cit_ID 1 _H_exch_protection_factor_list.Std_values_source_cit_label $entry_citation _H_exch_protection_factor_list.Details . _H_exch_protection_factor_list.Text_data_format . _H_exch_protection_factor_list.Text_data . loop_ _H_exch_protection_fact_experiment.Experiment_ID _H_exch_protection_fact_experiment.Experiment_name _H_exch_protection_fact_experiment.Sample_ID _H_exch_protection_fact_experiment.Sample_label _H_exch_protection_fact_experiment.Sample_state _H_exch_protection_fact_experiment.Entry_ID _H_exch_protection_fact_experiment.H_exch_protection_factor_list_ID 1 '2D 1H-15N HSQC' . . . 15795 1 stop_ loop_ _H_exch_protection_fact_software.Software_ID _H_exch_protection_fact_software.Software_label _H_exch_protection_fact_software.Method_ID _H_exch_protection_fact_software.Method_label _H_exch_protection_fact_software.Entry_ID _H_exch_protection_fact_software.H_exch_protection_factor_list_ID 1 $NMRView . . 15795 1 stop_ loop_ _H_exch_protection_factor.ID _H_exch_protection_factor.Assembly_atom_ID _H_exch_protection_factor.Entity_assembly_ID _H_exch_protection_factor.Entity_ID _H_exch_protection_factor.Comp_index_ID _H_exch_protection_factor.Seq_ID _H_exch_protection_factor.Comp_ID _H_exch_protection_factor.Atom_ID _H_exch_protection_factor.Atom_type _H_exch_protection_factor.Atom_isotope_number _H_exch_protection_factor.Calculated_intrinsic_rate _H_exch_protection_factor.Val _H_exch_protection_factor.Val_err _H_exch_protection_factor.Resonance_ID _H_exch_protection_factor.Auth_entity_assembly_ID _H_exch_protection_factor.Auth_seq_ID _H_exch_protection_factor.Auth_comp_ID _H_exch_protection_factor.Auth_atom_ID _H_exch_protection_factor.Entry_ID _H_exch_protection_factor.H_exch_protection_factor_list_ID 1 . 1 1 37 37 LYS H H 1 . 3.895 . . . . . . 15795 1 2 . 1 1 38 38 ALA H H 1 . 4.329 . . . . . . 15795 1 3 . 1 1 39 39 ILE H H 1 . 4.274 . . . . . . 15795 1 4 . 1 1 40 40 GLU H H 1 . 4.142 . . . . . . 15795 1 5 . 1 1 41 41 GLN H H 1 . 4.436 . . . . . . 15795 1 6 . 1 1 42 42 GLY H H 1 . 4.803 . . . . . . 15795 1 7 . 1 1 43 43 ARG H H 1 . 4.907 . . . . . . 15795 1 8 . 1 1 44 44 GLN H H 1 . 4.783 . . . . . . 15795 1 9 . 1 1 46 46 PHE H H 1 . 4.198 . . . . . . 15795 1 10 . 1 1 50 50 MET H H 1 . 3.927 . . . . . . 15795 1 11 . 1 1 54 54 GLU H H 1 . 3.756 . . . . . . 15795 1 12 . 1 1 55 55 LEU H H 1 . 4.299 . . . . . . 15795 1 13 . 1 1 56 56 GLY H H 1 . 4.889 . . . . . . 15795 1 14 . 1 1 57 57 LYS H H 1 . 5.049 . . . . . . 15795 1 15 . 1 1 58 58 GLU H H 1 . 4.468 . . . . . . 15795 1 16 . 1 1 59 59 ILE H H 1 . 4.329 . . . . . . 15795 1 17 . 1 1 61 61 GLU H H 1 . 4.398 . . . . . . 15795 1 18 . 1 1 66 66 VAL H H 1 . 3.973 . . . . . . 15795 1 19 . 1 1 67 67 ALA H H 1 . 4.613 . . . . . . 15795 1 20 . 1 1 68 68 SER H H 1 . 4.071 . . . . . . 15795 1 21 . 1 1 69 69 TYR H H 1 . 4.702 . . . . . . 15795 1 22 . 1 1 70 70 GLU H H 1 . 4.368 . . . . . . 15795 1 23 . 1 1 71 71 ARG H H 1 . 4.367 . . . . . . 15795 1 24 . 1 1 72 72 GLY H H 1 . 4.064 . . . . . . 15795 1 25 . 1 1 81 81 LEU H H 1 . 3.204 . . . . . . 15795 1 26 . 1 1 82 82 SER H H 1 . 3.892 . . . . . . 15795 1 27 . 1 1 83 83 LYS H H 1 . 4.582 . . . . . . 15795 1 28 . 1 1 84 84 MET H H 1 . 4.804 . . . . . . 15795 1 29 . 1 1 85 85 GLU H H 1 . 4.375 . . . . . . 15795 1 30 . 1 1 86 86 ARG H H 1 . 4.229 . . . . . . 15795 1 31 . 1 1 87 87 VAL H H 1 . 4.273 . . . . . . 15795 1 32 . 1 1 88 88 LEU H H 1 . 4.171 . . . . . . 15795 1 33 . 1 1 90 90 VAL H H 1 . 3.779 . . . . . . 15795 1 34 . 1 1 92 92 LEU H H 1 . 3.270 . . . . . . 15795 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 15795 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1.0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 1 '2D 1H-15N HSQC' . . . 15795 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 MET N N 15 . 1 1 3 3 MET H H 1 -2.34036 -0.0304729 . . . . . . . . . . 15795 1 2 . 1 1 4 4 ASP N N 15 . 1 1 4 4 ASP H H 1 -2.03308 -0.00495322 . . . . . . . . . . 15795 1 3 . 1 1 6 6 GLU N N 15 . 1 1 6 6 GLU H H 1 -1.34049 -0.00272635 . . . . . . . . . . 15795 1 4 . 1 1 7 7 PHE N N 15 . 1 1 7 7 PHE H H 1 -1.15386 -0.00269727 . . . . . . . . . . 15795 1 5 . 1 1 8 8 ALA N N 15 . 1 1 8 8 ALA H H 1 -1.42541 -0.00608696 . . . . . . . . . . 15795 1 6 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 -1.45472 -0.00908466 . . . . . . . . . . 15795 1 7 . 1 1 10 10 GLY N N 15 . 1 1 10 10 GLY H H 1 -1.2382 -0.00888131 . . . . . . . . . . 15795 1 8 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 -0.94437 -0.00960931 . . . . . . . . . . 15795 1 9 . 1 1 12 12 GLU N N 15 . 1 1 12 12 GLU H H 1 -0.841771 -0.00459483 . . . . . . . . . . 15795 1 10 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 -0.775287 -0.00809543 . . . . . . . . . . 15795 1 11 . 1 1 14 14 GLN N N 15 . 1 1 14 14 GLN H H 1 -0.696443 -0.00493927 . . . . . . . . . . 15795 1 12 . 1 1 15 15 ARG N N 15 . 1 1 15 15 ARG H H 1 -0.65022 -0.00668122 . . . . . . . . . . 15795 1 13 . 1 1 16 16 LEU N N 15 . 1 1 16 16 LEU H H 1 -0.64707 -0.00409236 . . . . . . . . . . 15795 1 14 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 -0.14951 -0.00219573 . . . . . . . . . . 15795 1 15 . 1 1 19 19 VAL N N 15 . 1 1 19 19 VAL H H 1 -0.802206 -0.00316726 . . . . . . . . . . 15795 1 16 . 1 1 20 20 ASP N N 15 . 1 1 20 20 ASP H H 1 -0.745951 -0.00434656 . . . . . . . . . . 15795 1 17 . 1 1 21 21 ARG N N 15 . 1 1 21 21 ARG H H 1 -0.198625 -0.00145339 . . . . . . . . . . 15795 1 18 . 1 1 25 25 ILE N N 15 . 1 1 25 25 ILE H H 1 -0.402864 -0.00172751 . . . . . . . . . . 15795 1 19 . 1 1 26 26 ILE N N 15 . 1 1 26 26 ILE H H 1 -0.346229 -0.00214763 . . . . . . . . . . 15795 1 20 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 -0.529708 -0.00408898 . . . . . . . . . . 15795 1 21 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 0.463709 0.00340056 . . . . . . . . . . 15795 1 22 . 1 1 31 31 VAL N N 15 . 1 1 31 31 VAL H H 1 0.659683 0.00318672 . . . . . . . . . . 15795 1 23 . 1 1 32 32 GLY N N 15 . 1 1 32 32 GLY H H 1 0.681083 0.00305989 . . . . . . . . . . 15795 1 24 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.638387 0.00490168 . . . . . . . . . . 15795 1 25 . 1 1 36 36 GLY N N 15 . 1 1 36 36 GLY H H 1 0.774182 0.00287193 . . . . . . . . . . 15795 1 26 . 1 1 37 37 LYS N N 15 . 1 1 37 37 LYS H H 1 0.698937 0.00242984 . . . . . . . . . . 15795 1 27 . 1 1 38 38 ALA N N 15 . 1 1 38 38 ALA H H 1 0.765697 0.00235667 . . . . . . . . . . 15795 1 28 . 1 1 39 39 ILE N N 15 . 1 1 39 39 ILE H H 1 0.796014 0.00295465 . . . . . . . . . . 15795 1 29 . 1 1 40 40 GLU N N 15 . 1 1 40 40 GLU H H 1 0.794882 0.00279531 . . . . . . . . . . 15795 1 30 . 1 1 41 41 GLN N N 15 . 1 1 41 41 GLN H H 1 0.780009 0.0026153 . . . . . . . . . . 15795 1 31 . 1 1 42 42 GLY N N 15 . 1 1 42 42 GLY H H 1 0.705305 0.0028556 . . . . . . . . . . 15795 1 32 . 1 1 43 43 ARG N N 15 . 1 1 43 43 ARG H H 1 0.722191 0.00264486 . . . . . . . . . . 15795 1 33 . 1 1 43 43 ARG N N 15 . 1 1 43 43 ARG H H 1 0.592499 0.00595521 . . . . . . . . . . 15795 1 34 . 1 1 44 44 GLN N N 15 . 1 1 44 44 GLN H H 1 0.719663 0.00249591 . . . . . . . . . . 15795 1 35 . 1 1 45 45 LYS N N 15 . 1 1 45 45 LYS H H 1 0.700693 0.00226848 . . . . . . . . . . 15795 1 36 . 1 1 46 46 PHE N N 15 . 1 1 46 46 PHE H H 1 0.69487 0.002179 . . . . . . . . . . 15795 1 37 . 1 1 47 47 GLU N N 15 . 1 1 47 47 GLU H H 1 0.609006 0.00207906 . . . . . . . . . . 15795 1 38 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.657591 0.00179527 . . . . . . . . . . 15795 1 39 . 1 1 50 50 MET N N 15 . 1 1 50 50 MET H H 1 0.738737 0.00279937 . . . . . . . . . . 15795 1 40 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.78325 0.00288828 . . . . . . . . . . 15795 1 41 . 1 1 52 52 GLN N N 15 . 1 1 52 52 GLN H H 1 0.775739 0.00344258 . . . . . . . . . . 15795 1 42 . 1 1 54 54 GLU N N 15 . 1 1 54 54 GLU H H 1 0.768151 0.00241639 . . . . . . . . . . 15795 1 43 . 1 1 55 55 LEU N N 15 . 1 1 55 55 LEU H H 1 0.777842 0.00252126 . . . . . . . . . . 15795 1 44 . 1 1 56 56 GLY N N 15 . 1 1 56 56 GLY H H 1 0.790341 0.00287927 . . . . . . . . . . 15795 1 45 . 1 1 57 57 LYS N N 15 . 1 1 57 57 LYS H H 1 0.681599 0.00193499 . . . . . . . . . . 15795 1 46 . 1 1 58 58 GLU N N 15 . 1 1 58 58 GLU H H 1 0.724064 0.00214738 . . . . . . . . . . 15795 1 47 . 1 1 59 59 ILE N N 15 . 1 1 59 59 ILE H H 1 0.760013 0.00319757 . . . . . . . . . . 15795 1 48 . 1 1 60 60 GLY N N 15 . 1 1 60 60 GLY H H 1 0.789266 0.00266852 . . . . . . . . . . 15795 1 49 . 1 1 61 61 GLU N N 15 . 1 1 61 61 GLU H H 1 0.752486 0.00280859 . . . . . . . . . . 15795 1 50 . 1 1 62 62 THR N N 15 . 1 1 62 62 THR H H 1 0.676913 0.00268289 . . . . . . . . . . 15795 1 51 . 1 1 63 63 ALA N N 15 . 1 1 63 63 ALA H H 1 0.776292 0.00670985 . . . . . . . . . . 15795 1 52 . 1 1 64 64 ALA N N 15 . 1 1 64 64 ALA H H 1 0.757504 0.00500809 . . . . . . . . . . 15795 1 53 . 1 1 66 66 VAL N N 15 . 1 1 66 66 VAL H H 1 0.753324 0.00218679 . . . . . . . . . . 15795 1 54 . 1 1 67 67 ALA N N 15 . 1 1 67 67 ALA H H 1 0.752877 0.00204167 . . . . . . . . . . 15795 1 55 . 1 1 68 68 SER N N 15 . 1 1 68 68 SER H H 1 0.769209 0.00206719 . . . . . . . . . . 15795 1 56 . 1 1 69 69 TYR N N 15 . 1 1 69 69 TYR H H 1 0.828959 0.00270514 . . . . . . . . . . 15795 1 57 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.7407 0.00268646 . . . . . . . . . . 15795 1 58 . 1 1 72 72 GLY N N 15 . 1 1 72 72 GLY H H 1 0.743691 0.00266417 . . . . . . . . . . 15795 1 59 . 1 1 73 73 THR N N 15 . 1 1 73 73 THR H H 1 0.729575 0.0029071 . . . . . . . . . . 15795 1 60 . 1 1 74 74 ALA N N 15 . 1 1 74 74 ALA H H 1 0.735636 0.00277732 . . . . . . . . . . 15795 1 61 . 1 1 75 75 THR N N 15 . 1 1 75 75 THR H H 1 0.723576 0.0025974 . . . . . . . . . . 15795 1 62 . 1 1 77 77 ASP N N 15 . 1 1 77 77 ASP H H 1 0.700911 0.00306961 . . . . . . . . . . 15795 1 63 . 1 1 79 79 ASN N N 15 . 1 1 79 79 ASN H H 1 0.700718 0.00299425 . . . . . . . . . . 15795 1 64 . 1 1 80 80 ILE N N 15 . 1 1 80 80 ILE H H 1 0.724587 0.00282643 . . . . . . . . . . 15795 1 65 . 1 1 81 81 LEU N N 15 . 1 1 81 81 LEU H H 1 0.754843 0.00272734 . . . . . . . . . . 15795 1 66 . 1 1 82 82 SER N N 15 . 1 1 82 82 SER H H 1 0.737863 0.00219624 . . . . . . . . . . 15795 1 67 . 1 1 83 83 LYS N N 15 . 1 1 83 83 LYS H H 1 0.71819 0.00218826 . . . . . . . . . . 15795 1 68 . 1 1 84 84 MET N N 15 . 1 1 84 84 MET H H 1 0.818469 0.00319738 . . . . . . . . . . 15795 1 69 . 1 1 85 85 GLU N N 15 . 1 1 85 85 GLU H H 1 0.801802 0.00296551 . . . . . . . . . . 15795 1 70 . 1 1 87 87 VAL N N 15 . 1 1 87 87 VAL H H 1 0.702736 0.00268467 . . . . . . . . . . 15795 1 71 . 1 1 88 88 LEU N N 15 . 1 1 88 88 LEU H H 1 0.756307 0.00320531 . . . . . . . . . . 15795 1 72 . 1 1 89 89 ASN N N 15 . 1 1 89 89 ASN H H 1 0.703773 0.00246393 . . . . . . . . . . 15795 1 73 . 1 1 90 90 VAL N N 15 . 1 1 90 90 VAL H H 1 0.732476 0.00245562 . . . . . . . . . . 15795 1 74 . 1 1 91 91 LYS N N 15 . 1 1 91 91 LYS H H 1 0.736763 0.00289141 . . . . . . . . . . 15795 1 75 . 1 1 92 92 LEU N N 15 . 1 1 92 92 LEU H H 1 0.714581 0.00438497 . . . . . . . . . . 15795 1 76 . 1 1 96 96 ASN N N 15 . 1 1 96 96 ASN H H 1 0.506347 0.0124903 . . . . . . . . . . 15795 1 77 . 1 1 97 97 ILE N N 15 . 1 1 97 97 ILE H H 1 0.510193 0.00247864 . . . . . . . . . . 15795 1 78 . 1 1 98 98 GLY N N 15 . 1 1 98 98 GLY H H 1 0.573387 0.00477204 . . . . . . . . . . 15795 1 79 . 1 1 99 99 ALA N N 15 . 1 1 99 99 ALA H H 1 0.520525 0.00230076 . . . . . . . . . . 15795 1 80 . 1 1 101 101 ARG N N 15 . 1 1 101 101 ARG H H 1 0.478128 0.00419746 . . . . . . . . . . 15795 1 81 . 1 1 103 103 GLY N N 15 . 1 1 103 103 GLY H H 1 -0.390846 -0.00786181 . . . . . . . . . . 15795 1 82 . 1 1 107 107 LYS N N 15 . 1 1 107 107 LYS H H 1 -1.7848 -0.00260604 . . . . . . . . . . 15795 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 15795 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units ms _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 '2D 1H-15N HSQC' . . . 15795 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 MET N N 15 467.508 80.8686 . . . . . 15795 1 2 . 1 1 6 6 GLU N N 15 668.003 15.618 . . . . . 15795 1 3 . 1 1 7 7 PHE N N 15 626.174 31.3675 . . . . . 15795 1 4 . 1 1 8 8 ALA N N 15 626.566 28.2662 . . . . . 15795 1 5 . 1 1 9 9 GLY N N 15 618.812 45.1855 . . . . . 15795 1 6 . 1 1 10 10 GLY N N 15 642.674 32.6293 . . . . . 15795 1 7 . 1 1 11 11 THR N N 15 677.048 51.3401 . . . . . 15795 1 8 . 1 1 12 12 GLU N N 15 588.928 24.9722 . . . . . 15795 1 9 . 1 1 13 13 GLY N N 15 558.347 67.6501 . . . . . 15795 1 10 . 1 1 14 14 GLN N N 15 613.874 62.5556 . . . . . 15795 1 11 . 1 1 15 15 ARG N N 15 585.823 15.7867 . . . . . 15795 1 12 . 1 1 16 16 LEU N N 15 568.505 21.3311 . . . . . 15795 1 13 . 1 1 19 19 VAL N N 15 609.013 37.4606 . . . . . 15795 1 14 . 1 1 20 20 ASP N N 15 563.38 23.17 . . . . . 15795 1 15 . 1 1 21 21 ARG N N 15 636.537 59.1562 . . . . . 15795 1 16 . 1 1 25 25 ILE N N 15 632.511 18.0032 . . . . . 15795 1 17 . 1 1 27 27 LYS N N 15 561.482 9.45787 . . . . . 15795 1 18 . 1 1 30 30 THR N N 15 513.084 24.746 . . . . . 15795 1 19 . 1 1 31 31 VAL N N 15 492.854 46.8806 . . . . . 15795 1 20 . 1 1 32 32 GLY N N 15 464.684 19.6497 . . . . . 15795 1 21 . 1 1 34 34 GLU N N 15 491.159 53.0722 . . . . . 15795 1 22 . 1 1 36 36 GLY N N 15 562.114 19.9062 . . . . . 15795 1 23 . 1 1 37 37 LYS N N 15 540.249 29.4787 . . . . . 15795 1 24 . 1 1 38 38 ALA N N 15 566.572 17.3342 . . . . . 15795 1 25 . 1 1 39 39 ILE N N 15 544.07 18.9448 . . . . . 15795 1 26 . 1 1 40 40 GLU N N 15 601.323 20.249 . . . . . 15795 1 27 . 1 1 41 41 GLN N N 15 558.036 12.7676 . . . . . 15795 1 28 . 1 1 42 42 GLY N N 15 573.394 16.1103 . . . . . 15795 1 29 . 1 1 43 43 ARG N N 15 543.183 18.588 . . . . . 15795 1 30 . 1 1 44 44 GLN N N 15 551.572 17.3412 . . . . . 15795 1 31 . 1 1 45 45 LYS N N 15 575.374 16.2217 . . . . . 15795 1 32 . 1 1 46 46 PHE N N 15 604.23 12.4132 . . . . . 15795 1 33 . 1 1 47 47 GLU N N 15 574.383 46.5181 . . . . . 15795 1 34 . 1 1 49 49 THR N N 15 582.411 17.2993 . . . . . 15795 1 35 . 1 1 50 50 MET N N 15 503.525 15.2122 . . . . . 15795 1 36 . 1 1 51 51 THR N N 15 498.256 14.1508 . . . . . 15795 1 37 . 1 1 52 52 GLN N N 15 435.54 11.7611 . . . . . 15795 1 38 . 1 1 54 54 GLU N N 15 466.2 14.562 . . . . . 15795 1 39 . 1 1 55 55 LEU N N 15 471.921 21.8255 . . . . . 15795 1 40 . 1 1 56 56 GLY N N 15 475.059 10.8327 . . . . . 15795 1 41 . 1 1 57 57 LYS N N 15 534.759 30.0266 . . . . . 15795 1 42 . 1 1 58 58 GLU N N 15 473.709 9.42481 . . . . . 15795 1 43 . 1 1 59 59 ILE N N 15 502.008 10.5845 . . . . . 15795 1 44 . 1 1 60 60 GLY N N 15 527.148 12.5048 . . . . . 15795 1 45 . 1 1 61 61 GLU N N 15 570.776 15.9635 . . . . . 15795 1 46 . 1 1 62 62 THR N N 15 607.903 19.9555 . . . . . 15795 1 47 . 1 1 63 63 ALA N N 15 421.408 34.2738 . . . . . 15795 1 48 . 1 1 64 64 ALA N N 15 439.56 18.9349 . . . . . 15795 1 49 . 1 1 67 67 ALA N N 15 453.104 18.8879 . . . . . 15795 1 50 . 1 1 68 68 SER N N 15 499.002 10.7071 . . . . . 15795 1 51 . 1 1 72 72 GLY N N 15 499.5 7.98402 . . . . . 15795 1 52 . 1 1 73 73 THR N N 15 504.541 16.0374 . . . . . 15795 1 53 . 1 1 74 74 ALA N N 15 523.286 5.47657 . . . . . 15795 1 54 . 1 1 75 75 THR N N 15 490.677 19.5019 . . . . . 15795 1 55 . 1 1 77 77 ASP N N 15 603.5 24.038 . . . . . 15795 1 56 . 1 1 79 79 ASN N N 15 493.827 12.4371 . . . . . 15795 1 57 . 1 1 80 80 ILE N N 15 613.874 21.4799 . . . . . 15795 1 58 . 1 1 81 81 LEU N N 15 566.251 20.521 . . . . . 15795 1 59 . 1 1 82 82 SER N N 15 560.538 18.2238 . . . . . 15795 1 60 . 1 1 85 85 GLU N N 15 518.941 23.1598 . . . . . 15795 1 61 . 1 1 87 87 VAL N N 15 577.701 17.6881 . . . . . 15795 1 62 . 1 1 88 88 LEU N N 15 561.167 20.4691 . . . . . 15795 1 63 . 1 1 89 89 ASN N N 15 502.765 19.9691 . . . . . 15795 1 64 . 1 1 90 90 VAL N N 15 500 13 . . . . . 15795 1 65 . 1 1 91 91 LYS N N 15 495.786 19.1727 . . . . . 15795 1 66 . 1 1 92 92 LEU N N 15 490.196 15.8593 . . . . . 15795 1 67 . 1 1 97 97 ILE N N 15 518.672 16.9483 . . . . . 15795 1 68 . 1 1 98 98 GLY N N 15 411.353 27.0739 . . . . . 15795 1 69 . 1 1 99 99 ALA N N 15 515.464 17.5364 . . . . . 15795 1 70 . 1 1 101 101 ARG N N 15 583.431 40.5066 . . . . . 15795 1 71 . 1 1 103 103 GLY N N 15 698.812 111.341 . . . . . 15795 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 15795 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 500 _Heteronucl_T2_list.T2_coherence_type Nx,y _Heteronucl_T2_list.T2_val_units ms _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 1 '2D 1H-15N HSQC' . . . 15795 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 MET N N 15 160.514 44.8562 . . . . . . . 15795 1 2 . 1 1 6 6 GLU N N 15 266.241 71.8765 . . . . . . . 15795 1 3 . 1 1 7 7 PHE N N 15 223.664 50.5757 . . . . . . . 15795 1 4 . 1 1 8 8 ALA N N 15 193.573 38.4824 . . . . . . . 15795 1 5 . 1 1 9 9 GLY N N 15 180.31 43.2731 . . . . . . . 15795 1 6 . 1 1 10 10 GLY N N 15 214.225 66.3141 . . . . . . . 15795 1 7 . 1 1 11 11 THR N N 15 216.169 73.0845 . . . . . . . 15795 1 8 . 1 1 12 12 GLU N N 15 205.55 47.8701 . . . . . . . 15795 1 9 . 1 1 13 13 GLY N N 15 148.765 37.7778 . . . . . . . 15795 1 10 . 1 1 14 14 GLN N N 15 175.101 34.7381 . . . . . . . 15795 1 11 . 1 1 15 15 ARG N N 15 135.318 25.4339 . . . . . . . 15795 1 12 . 1 1 16 16 LEU N N 15 201.735 40.0865 . . . . . . . 15795 1 13 . 1 1 19 19 VAL N N 15 208.812 26.8155 . . . . . . . 15795 1 14 . 1 1 20 20 ASP N N 15 172.147 22.6407 . . . . . . . 15795 1 15 . 1 1 21 21 ARG N N 15 179.986 35.0836 . . . . . . . 15795 1 16 . 1 1 25 25 ILE N N 15 248.818 36.8367 . . . . . . . 15795 1 17 . 1 1 27 27 LYS N N 15 187.441 31.4452 . . . . . . . 15795 1 18 . 1 1 30 30 THR N N 15 103.157 9.98152 . . . . . . . 15795 1 19 . 1 1 31 31 VAL N N 15 97.012 9.59015 . . . . . . . 15795 1 20 . 1 1 32 32 GLY N N 15 91.6003 9.45621 . . . . . . . 15795 1 21 . 1 1 34 34 GLU N N 15 95.6846 9.43937 . . . . . . . 15795 1 22 . 1 1 36 36 GLY N N 15 91.9118 10.0951 . . . . . . . 15795 1 23 . 1 1 37 37 LYS N N 15 98.6291 10.5643 . . . . . . . 15795 1 24 . 1 1 38 38 ALA N N 15 98.8338 10.0612 . . . . . . . 15795 1 25 . 1 1 39 39 ILE N N 15 96.1538 10.2903 . . . . . . . 15795 1 26 . 1 1 40 40 GLU N N 15 93.6944 8.4626 . . . . . . . 15795 1 27 . 1 1 41 41 GLN N N 15 97.8378 11.793 . . . . . . . 15795 1 28 . 1 1 42 42 GLY N N 15 95.1203 9.34646 . . . . . . . 15795 1 29 . 1 1 43 43 ARG N N 15 92.7128 9.98816 . . . . . . . 15795 1 30 . 1 1 44 44 GLN N N 15 99.6711 9.73564 . . . . . . . 15795 1 31 . 1 1 45 45 LYS N N 15 110.681 12.0052 . . . . . . . 15795 1 32 . 1 1 46 46 PHE N N 15 114.811 12.641 . . . . . . . 15795 1 33 . 1 1 47 47 GLU N N 15 163.132 32.5998 . . . . . . . 15795 1 34 . 1 1 49 49 THR N N 15 121.007 18.8744 . . . . . . . 15795 1 35 . 1 1 50 50 MET N N 15 115.915 12.8048 . . . . . . . 15795 1 36 . 1 1 51 51 THR N N 15 106.202 12.3166 . . . . . . . 15795 1 37 . 1 1 52 52 GLN N N 15 113.43 11.7599 . . . . . . . 15795 1 38 . 1 1 54 54 GLU N N 15 120.019 13.742 . . . . . . . 15795 1 39 . 1 1 55 55 LEU N N 15 119.332 11.8193 . . . . . . . 15795 1 40 . 1 1 56 56 GLY N N 15 109.818 11.1072 . . . . . . . 15795 1 41 . 1 1 57 57 LYS N N 15 121.418 22.1578 . . . . . . . 15795 1 42 . 1 1 58 58 GLU N N 15 121.966 12.3617 . . . . . . . 15795 1 43 . 1 1 59 59 ILE N N 15 121.566 12.6649 . . . . . . . 15795 1 44 . 1 1 60 60 GLY N N 15 105.652 11.062 . . . . . . . 15795 1 45 . 1 1 61 61 GLU N N 15 106.655 11.4209 . . . . . . . 15795 1 46 . 1 1 62 62 THR N N 15 110.816 11.2608 . . . . . . . 15795 1 47 . 1 1 63 63 ALA N N 15 98.7654 10.7301 . . . . . . . 15795 1 48 . 1 1 64 64 ALA N N 15 94.7867 8.88569 . . . . . . . 15795 1 49 . 1 1 67 67 ALA N N 15 117.178 13.2639 . . . . . . . 15795 1 50 . 1 1 68 68 SER N N 15 106.906 14.789 . . . . . . . 15795 1 51 . 1 1 72 72 GLY N N 15 107.308 9.81072 . . . . . . . 15795 1 52 . 1 1 73 73 THR N N 15 86.2441 7.75044 . . . . . . . 15795 1 53 . 1 1 74 74 ALA N N 15 103.584 10.9442 . . . . . . . 15795 1 54 . 1 1 75 75 THR N N 15 94.8497 9.3923 . . . . . . . 15795 1 55 . 1 1 77 77 ASP N N 15 118.694 13.229 . . . . . . . 15795 1 56 . 1 1 79 79 ASN N N 15 91.6926 8.29824 . . . . . . . 15795 1 57 . 1 1 80 80 ILE N N 15 98.7167 9.46238 . . . . . . . 15795 1 58 . 1 1 81 81 LEU N N 15 88.5034 8.64747 . . . . . . . 15795 1 59 . 1 1 82 82 SER N N 15 104.613 10.2545 . . . . . . . 15795 1 60 . 1 1 85 85 GLU N N 15 92.6355 8.59849 . . . . . . . 15795 1 61 . 1 1 87 87 VAL N N 15 101.833 10.7951 . . . . . . . 15795 1 62 . 1 1 88 88 LEU N N 15 104.943 12.4557 . . . . . . . 15795 1 63 . 1 1 89 89 ASN N N 15 114.705 12.6573 . . . . . . . 15795 1 64 . 1 1 90 90 VAL N N 15 122.534 14.2488 . . . . . . . 15795 1 65 . 1 1 91 91 LYS N N 15 123.609 12.5901 . . . . . . . 15795 1 66 . 1 1 92 92 LEU N N 15 142.369 15.0598 . . . . . . . 15795 1 67 . 1 1 97 97 ILE N N 15 114.273 12.7187 . . . . . . . 15795 1 68 . 1 1 98 98 GLY N N 15 118.892 12.6369 . . . . . . . 15795 1 69 . 1 1 99 99 ALA N N 15 111.944 11.8047 . . . . . . . 15795 1 70 . 1 1 101 101 ARG N N 15 127.665 15.2553 . . . . . . . 15795 1 71 . 1 1 103 103 GLY N N 15 154.464 37.6258 . . . . . . . 15795 1 stop_ save_