data_25301 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25301 _Entry.Title ; Ig1 domain of human obscurin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-10-28 _Entry.Accession_date 2014-10-28 _Entry.Last_release_date 2015-08-25 _Entry.Original_release_date 2015-08-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Ig1 chemical shifts of human obscurin' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Nathan Wright . . . 25301 2 Michael Rudloff . . . 25301 3 Alec Woosley . . . 25301 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25301 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 263 25301 '15N chemical shifts' 78 25301 '1H chemical shifts' 78 25301 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-08-25 . original BMRB . 25301 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25303 'titin M10-obscurin-Ig1' 25301 BMRB 25304 'obscurin Ig1 bound to titin M10' 25301 BMRB 25305 'titin M10' 25301 BMRB 25308 'obscurin Ig58' 25301 BMRB 25406 'H56P mutant' 25301 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25301 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25739468 _Citation.Full_citation . _Citation.Title ; Biophysical characterization of naturally occurring titin M10 mutations ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 6 _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 946 _Citation.Page_last 955 _Citation.Year 2015 _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 Michael Rudloff . W. . 25301 1 2 Alec Woosley . N. . 25301 1 3 Nathan Wright . T. . 25301 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25301 _Assembly.ID 1 _Assembly.Name OBSC-Ig1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 Ig1 1 $Ig1 A . yes native no no . . . 25301 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ig1 _Entity.Sf_category entity _Entity.Sf_framecode Ig1 _Entity.Entry_ID 25301 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ig1 _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 ; MDQPQFSGAPRFLTRPKAFV VSVGKDATLSCQIVGNPTPQ VSWEKDQQPVTAGARFRLAQ DGDLYRLTILDLALGDSGQY VCRARNAIGEAFAAVGLQVD AEAALEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 25304 . Ig1_bound_to_M10 . . . . . 100.00 112 100.00 100.00 7.48e-76 . . . . 25301 1 2 no PDB 4C4K . "Crystal Structure Of The Titin M10-obscurin Ig Domain 1 Complex" . . . . . 86.61 98 97.94 97.94 3.67e-61 . . . . 25301 1 3 no PDB 4UOW . "Crystal Structure Of The Titin M10-obscurin Ig Domain 1 Complex" . . . . . 83.04 93 97.85 97.85 2.14e-58 . . . . 25301 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 25301 1 2 2 ASP . 25301 1 3 3 GLN . 25301 1 4 4 PRO . 25301 1 5 5 GLN . 25301 1 6 6 PHE . 25301 1 7 7 SER . 25301 1 8 8 GLY . 25301 1 9 9 ALA . 25301 1 10 10 PRO . 25301 1 11 11 ARG . 25301 1 12 12 PHE . 25301 1 13 13 LEU . 25301 1 14 14 THR . 25301 1 15 15 ARG . 25301 1 16 16 PRO . 25301 1 17 17 LYS . 25301 1 18 18 ALA . 25301 1 19 19 PHE . 25301 1 20 20 VAL . 25301 1 21 21 VAL . 25301 1 22 22 SER . 25301 1 23 23 VAL . 25301 1 24 24 GLY . 25301 1 25 25 LYS . 25301 1 26 26 ASP . 25301 1 27 27 ALA . 25301 1 28 28 THR . 25301 1 29 29 LEU . 25301 1 30 30 SER . 25301 1 31 31 CYS . 25301 1 32 32 GLN . 25301 1 33 33 ILE . 25301 1 34 34 VAL . 25301 1 35 35 GLY . 25301 1 36 36 ASN . 25301 1 37 37 PRO . 25301 1 38 38 THR . 25301 1 39 39 PRO . 25301 1 40 40 GLN . 25301 1 41 41 VAL . 25301 1 42 42 SER . 25301 1 43 43 TRP . 25301 1 44 44 GLU . 25301 1 45 45 LYS . 25301 1 46 46 ASP . 25301 1 47 47 GLN . 25301 1 48 48 GLN . 25301 1 49 49 PRO . 25301 1 50 50 VAL . 25301 1 51 51 THR . 25301 1 52 52 ALA . 25301 1 53 53 GLY . 25301 1 54 54 ALA . 25301 1 55 55 ARG . 25301 1 56 56 PHE . 25301 1 57 57 ARG . 25301 1 58 58 LEU . 25301 1 59 59 ALA . 25301 1 60 60 GLN . 25301 1 61 61 ASP . 25301 1 62 62 GLY . 25301 1 63 63 ASP . 25301 1 64 64 LEU . 25301 1 65 65 TYR . 25301 1 66 66 ARG . 25301 1 67 67 LEU . 25301 1 68 68 THR . 25301 1 69 69 ILE . 25301 1 70 70 LEU . 25301 1 71 71 ASP . 25301 1 72 72 LEU . 25301 1 73 73 ALA . 25301 1 74 74 LEU . 25301 1 75 75 GLY . 25301 1 76 76 ASP . 25301 1 77 77 SER . 25301 1 78 78 GLY . 25301 1 79 79 GLN . 25301 1 80 80 TYR . 25301 1 81 81 VAL . 25301 1 82 82 CYS . 25301 1 83 83 ARG . 25301 1 84 84 ALA . 25301 1 85 85 ARG . 25301 1 86 86 ASN . 25301 1 87 87 ALA . 25301 1 88 88 ILE . 25301 1 89 89 GLY . 25301 1 90 90 GLU . 25301 1 91 91 ALA . 25301 1 92 92 PHE . 25301 1 93 93 ALA . 25301 1 94 94 ALA . 25301 1 95 95 VAL . 25301 1 96 96 GLY . 25301 1 97 97 LEU . 25301 1 98 98 GLN . 25301 1 99 99 VAL . 25301 1 100 100 ASP . 25301 1 101 101 ALA . 25301 1 102 102 GLU . 25301 1 103 103 ALA . 25301 1 104 104 ALA . 25301 1 105 105 LEU . 25301 1 106 106 GLU . 25301 1 107 107 HIS . 25301 1 108 108 HIS . 25301 1 109 109 HIS . 25301 1 110 110 HIS . 25301 1 111 111 HIS . 25301 1 112 112 HIS . 25301 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25301 1 . ASP 2 2 25301 1 . GLN 3 3 25301 1 . PRO 4 4 25301 1 . GLN 5 5 25301 1 . PHE 6 6 25301 1 . SER 7 7 25301 1 . GLY 8 8 25301 1 . ALA 9 9 25301 1 . PRO 10 10 25301 1 . ARG 11 11 25301 1 . PHE 12 12 25301 1 . LEU 13 13 25301 1 . THR 14 14 25301 1 . ARG 15 15 25301 1 . PRO 16 16 25301 1 . LYS 17 17 25301 1 . ALA 18 18 25301 1 . PHE 19 19 25301 1 . VAL 20 20 25301 1 . VAL 21 21 25301 1 . SER 22 22 25301 1 . VAL 23 23 25301 1 . GLY 24 24 25301 1 . LYS 25 25 25301 1 . ASP 26 26 25301 1 . ALA 27 27 25301 1 . THR 28 28 25301 1 . LEU 29 29 25301 1 . SER 30 30 25301 1 . CYS 31 31 25301 1 . GLN 32 32 25301 1 . ILE 33 33 25301 1 . VAL 34 34 25301 1 . GLY 35 35 25301 1 . ASN 36 36 25301 1 . PRO 37 37 25301 1 . THR 38 38 25301 1 . PRO 39 39 25301 1 . GLN 40 40 25301 1 . VAL 41 41 25301 1 . SER 42 42 25301 1 . TRP 43 43 25301 1 . GLU 44 44 25301 1 . LYS 45 45 25301 1 . ASP 46 46 25301 1 . GLN 47 47 25301 1 . GLN 48 48 25301 1 . PRO 49 49 25301 1 . VAL 50 50 25301 1 . THR 51 51 25301 1 . ALA 52 52 25301 1 . GLY 53 53 25301 1 . ALA 54 54 25301 1 . ARG 55 55 25301 1 . PHE 56 56 25301 1 . ARG 57 57 25301 1 . LEU 58 58 25301 1 . ALA 59 59 25301 1 . GLN 60 60 25301 1 . ASP 61 61 25301 1 . GLY 62 62 25301 1 . ASP 63 63 25301 1 . LEU 64 64 25301 1 . TYR 65 65 25301 1 . ARG 66 66 25301 1 . LEU 67 67 25301 1 . THR 68 68 25301 1 . ILE 69 69 25301 1 . LEU 70 70 25301 1 . ASP 71 71 25301 1 . LEU 72 72 25301 1 . ALA 73 73 25301 1 . LEU 74 74 25301 1 . GLY 75 75 25301 1 . ASP 76 76 25301 1 . SER 77 77 25301 1 . GLY 78 78 25301 1 . GLN 79 79 25301 1 . TYR 80 80 25301 1 . VAL 81 81 25301 1 . CYS 82 82 25301 1 . ARG 83 83 25301 1 . ALA 84 84 25301 1 . ARG 85 85 25301 1 . ASN 86 86 25301 1 . ALA 87 87 25301 1 . ILE 88 88 25301 1 . GLY 89 89 25301 1 . GLU 90 90 25301 1 . ALA 91 91 25301 1 . PHE 92 92 25301 1 . ALA 93 93 25301 1 . ALA 94 94 25301 1 . VAL 95 95 25301 1 . GLY 96 96 25301 1 . LEU 97 97 25301 1 . GLN 98 98 25301 1 . VAL 99 99 25301 1 . ASP 100 100 25301 1 . ALA 101 101 25301 1 . GLU 102 102 25301 1 . ALA 103 103 25301 1 . ALA 104 104 25301 1 . LEU 105 105 25301 1 . GLU 106 106 25301 1 . HIS 107 107 25301 1 . HIS 108 108 25301 1 . HIS 109 109 25301 1 . HIS 110 110 25301 1 . HIS 111 111 25301 1 . HIS 112 112 25301 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 25301 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Ig1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25301 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 25301 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Ig1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pET24a . . . 25301 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25301 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM Tris, pH 7.5, 20 mM NaCl, 0.35 mM NaN3, and 0.5-2.5 mM protein with 10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Ig1 '[U-100% 13C; U-100% 15N]' . . 1 $Ig1 . protein . 0.5 2.5 mM . . . . 25301 1 2 Tris 'natural abundance' . . . . . buffer 20 . . mM . . . . 25301 1 3 NaCl 'natural abundance' . . . . . salt 20 . . mM . . . . 25301 1 4 NaN3 'natural abundance' . . . . . . 0.35 . . mM . . . . 25301 1 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 25301 1 6 D2O '[U-100% 2H]' . . . . . solvent 10 . . % . . . . 25301 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 25301 _Sample_condition_list.ID 1 _Sample_condition_list.Details '25 C in 20 mM Tris pH 7.5, 20 mM NaCl, 0.35 mM NaN3, and 0.5-2.5 mM protein with 10% D2O' 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' 20 . mM 25301 1 pH 7.5 . pH 25301 1 pressure 1 . atm 25301 1 temperature 298 . K 25301 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25301 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25301 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25301 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 25301 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25301 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25301 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 25301 _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 . . . . . . . . . . . . . . . . 25301 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25301 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25301 1 4 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25301 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25301 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 25301 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25301 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25301 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25301 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 25301 _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' 1 $sample_1 isotropic 25301 1 2 '3D CBCA(CO)NH' 1 $sample_1 isotropic 25301 1 3 '3D HNCO' 1 $sample_1 isotropic 25301 1 4 '3D HCACO' 1 $sample_1 isotropic 25301 1 5 '3D HNCACB' 1 $sample_1 isotropic 25301 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLN H H 1 8.386 0.002 . 1 . . . . 3 GLN H . 25301 1 2 . 1 1 3 3 GLN C C 13 174.7 0.1 . 1 . . . . 3 GLN C . 25301 1 3 . 1 1 3 3 GLN CA C 13 56.2 0.1 . 1 . . . . 3 GLN CA . 25301 1 4 . 1 1 3 3 GLN CB C 13 29.9 0.1 . 1 . . . . 3 GLN CB . 25301 1 5 . 1 1 3 3 GLN N N 15 118.83 0.1 . 1 . . . . 3 GLN N . 25301 1 6 . 1 1 4 4 PRO C C 13 175.2 0.1 . 1 . . . . 4 PRO C . 25301 1 7 . 1 1 4 4 PRO CA C 13 62.4 0.1 . 1 . . . . 4 PRO CA . 25301 1 8 . 1 1 4 4 PRO CB C 13 32.3 0.1 . 1 . . . . 4 PRO CB . 25301 1 9 . 1 1 5 5 GLN H H 1 8.588 0.002 . 1 . . . . 5 GLN H . 25301 1 10 . 1 1 5 5 GLN C C 13 174.4 0.1 . 1 . . . . 5 GLN C . 25301 1 11 . 1 1 5 5 GLN CA C 13 54.6 0.1 . 1 . . . . 5 GLN CA . 25301 1 12 . 1 1 5 5 GLN CB C 13 33.8 0.1 . 1 . . . . 5 GLN CB . 25301 1 13 . 1 1 5 5 GLN N N 15 119.21 0.1 . 1 . . . . 5 GLN N . 25301 1 14 . 1 1 6 6 PHE C C 13 178.5 0.1 . 1 . . . . 6 PHE C . 25301 1 15 . 1 1 6 6 PHE CA C 13 56.5 0.1 . 1 . . . . 6 PHE CA . 25301 1 16 . 1 1 6 6 PHE CB C 13 42.0 0.1 . 1 . . . . 6 PHE CB . 25301 1 17 . 1 1 7 7 SER H H 1 7.893 0.002 . 1 . . . . 7 SER H . 25301 1 18 . 1 1 7 7 SER C C 13 171.8 0.1 . 1 . . . . 7 SER C . 25301 1 19 . 1 1 7 7 SER CA C 13 60.8 0.1 . 1 . . . . 7 SER CA . 25301 1 20 . 1 1 7 7 SER CB C 13 71.7 0.1 . 1 . . . . 7 SER CB . 25301 1 21 . 1 1 7 7 SER N N 15 109.60 0.1 . 1 . . . . 7 SER N . 25301 1 22 . 1 1 8 8 GLY C C 13 174.3 0.1 . 1 . . . . 8 GLY C . 25301 1 23 . 1 1 8 8 GLY CA C 13 45.3 0.1 . 1 . . . . 8 GLY CA . 25301 1 24 . 1 1 9 9 ALA H H 1 8.144 0.002 . 1 . . . . 9 ALA H . 25301 1 25 . 1 1 9 9 ALA C C 13 173.4 0.1 . 1 . . . . 9 ALA C . 25301 1 26 . 1 1 9 9 ALA CA C 13 51.3 0.1 . 1 . . . . 9 ALA CA . 25301 1 27 . 1 1 9 9 ALA CB C 13 18.9 0.1 . 1 . . . . 9 ALA CB . 25301 1 28 . 1 1 9 9 ALA N N 15 124.50 0.1 . 1 . . . . 9 ALA N . 25301 1 29 . 1 1 11 11 ARG H H 1 8.367 0.002 . 1 . . . . 11 ARG H . 25301 1 30 . 1 1 11 11 ARG C C 13 174.9 0.1 . 1 . . . . 11 ARG C . 25301 1 31 . 1 1 11 11 ARG CA C 13 61.0 0.1 . 1 . . . . 11 ARG CA . 25301 1 32 . 1 1 11 11 ARG CB C 13 32.3 0.1 . 1 . . . . 11 ARG CB . 25301 1 33 . 1 1 11 11 ARG N N 15 126.57 0.1 . 1 . . . . 11 ARG N . 25301 1 34 . 1 1 12 12 PHE H H 1 8.673 0.002 . 1 . . . . 12 PHE H . 25301 1 35 . 1 1 12 12 PHE C C 13 175.9 0.1 . 1 . . . . 12 PHE C . 25301 1 36 . 1 1 12 12 PHE CA C 13 53.3 0.1 . 1 . . . . 12 PHE CA . 25301 1 37 . 1 1 12 12 PHE CB C 13 43.0 0.1 . 1 . . . . 12 PHE CB . 25301 1 38 . 1 1 12 12 PHE N N 15 127.07 0.1 . 1 . . . . 12 PHE N . 25301 1 39 . 1 1 13 13 LEU H H 1 7.657 0.002 . 1 . . . . 13 LEU H . 25301 1 40 . 1 1 13 13 LEU C C 13 175.5 0.1 . 1 . . . . 13 LEU C . 25301 1 41 . 1 1 13 13 LEU CA C 13 53.8 0.1 . 1 . . . . 13 LEU CA . 25301 1 42 . 1 1 13 13 LEU CB C 13 43.2 0.1 . 1 . . . . 13 LEU CB . 25301 1 43 . 1 1 13 13 LEU N N 15 119.83 0.1 . 1 . . . . 13 LEU N . 25301 1 44 . 1 1 14 14 THR H H 1 8.531 0.002 . 1 . . . . 14 THR H . 25301 1 45 . 1 1 14 14 THR C C 13 175.0 0.1 . 1 . . . . 14 THR C . 25301 1 46 . 1 1 14 14 THR CA C 13 57.1 0.1 . 1 . . . . 14 THR CA . 25301 1 47 . 1 1 14 14 THR CB C 13 66.2 0.1 . 1 . . . . 14 THR CB . 25301 1 48 . 1 1 14 14 THR N N 15 114.51 0.1 . 1 . . . . 14 THR N . 25301 1 49 . 1 1 15 15 ARG H H 1 9.327 0.002 . 1 . . . . 15 ARG H . 25301 1 50 . 1 1 15 15 ARG C C 13 171.9 0.1 . 1 . . . . 15 ARG C . 25301 1 51 . 1 1 15 15 ARG CA C 13 56.8 0.1 . 1 . . . . 15 ARG CA . 25301 1 52 . 1 1 15 15 ARG CB C 13 31.5 0.1 . 1 . . . . 15 ARG CB . 25301 1 53 . 1 1 15 15 ARG N N 15 118.32 0.1 . 1 . . . . 15 ARG N . 25301 1 54 . 1 1 25 25 LYS C C 13 173.0 0.1 . 1 . . . . 25 LYS C . 25301 1 55 . 1 1 25 25 LYS CA C 13 54.9 0.1 . 1 . . . . 25 LYS CA . 25301 1 56 . 1 1 25 25 LYS CB C 13 32.4 0.1 . 1 . . . . 25 LYS CB . 25301 1 57 . 1 1 26 26 ASP H H 1 7.831 0.002 . 1 . . . . 26 ASP H . 25301 1 58 . 1 1 26 26 ASP C C 13 176.0 0.1 . 1 . . . . 26 ASP C . 25301 1 59 . 1 1 26 26 ASP CA C 13 52.6 0.1 . 1 . . . . 26 ASP CA . 25301 1 60 . 1 1 26 26 ASP CB C 13 43.5 0.1 . 1 . . . . 26 ASP CB . 25301 1 61 . 1 1 26 26 ASP N N 15 116.57 0.1 . 1 . . . . 26 ASP N . 25301 1 62 . 1 1 27 27 ALA H H 1 8.981 0.002 . 1 . . . . 27 ALA H . 25301 1 63 . 1 1 27 27 ALA C C 13 175.4 0.1 . 1 . . . . 27 ALA C . 25301 1 64 . 1 1 27 27 ALA CA C 13 51.1 0.1 . 1 . . . . 27 ALA CA . 25301 1 65 . 1 1 27 27 ALA CB C 13 23.3 0.1 . 1 . . . . 27 ALA CB . 25301 1 66 . 1 1 27 27 ALA N N 15 121.95 0.1 . 1 . . . . 27 ALA N . 25301 1 67 . 1 1 28 28 THR H H 1 8.440 0.002 . 1 . . . . 28 THR H . 25301 1 68 . 1 1 28 28 THR C C 13 173.1 0.1 . 1 . . . . 28 THR C . 25301 1 69 . 1 1 28 28 THR CA C 13 57.4 0.1 . 1 . . . . 28 THR CA . 25301 1 70 . 1 1 28 28 THR CB C 13 66.1 0.1 . 1 . . . . 28 THR CB . 25301 1 71 . 1 1 28 28 THR N N 15 115.38 0.1 . 1 . . . . 28 THR N . 25301 1 72 . 1 1 29 29 LEU H H 1 9.386 0.002 . 1 . . . . 29 LEU H . 25301 1 73 . 1 1 29 29 LEU C C 13 175.9 0.1 . 1 . . . . 29 LEU C . 25301 1 74 . 1 1 29 29 LEU CA C 13 53.9 0.1 . 1 . . . . 29 LEU CA . 25301 1 75 . 1 1 29 29 LEU CB C 13 43.3 0.1 . 1 . . . . 29 LEU CB . 25301 1 76 . 1 1 29 29 LEU N N 15 129.90 0.1 . 1 . . . . 29 LEU N . 25301 1 77 . 1 1 30 30 SER H H 1 8.623 0.002 . 1 . . . . 30 SER H . 25301 1 78 . 1 1 30 30 SER C C 13 177.8 0.1 . 1 . . . . 30 SER C . 25301 1 79 . 1 1 30 30 SER CA C 13 55.3 0.1 . 1 . . . . 30 SER CA . 25301 1 80 . 1 1 30 30 SER N N 15 124.25 0.1 . 1 . . . . 30 SER N . 25301 1 81 . 1 1 31 31 CYS H H 1 8.39 0.002 . 1 . . . . 31 CYS H . 25301 1 82 . 1 1 31 31 CYS C C 13 176.2 0.1 . 1 . . . . 31 CYS C . 25301 1 83 . 1 1 31 31 CYS CA C 13 56.7 0.1 . 1 . . . . 31 CYS CA . 25301 1 84 . 1 1 31 31 CYS CB C 13 30.3 0.1 . 1 . . . . 31 CYS CB . 25301 1 85 . 1 1 31 31 CYS N N 15 121.29 0.1 . 1 . . . . 31 CYS N . 25301 1 86 . 1 1 32 32 GLN H H 1 8.241 0.002 . 1 . . . . 32 GLN H . 25301 1 87 . 1 1 32 32 GLN C C 13 175.4 0.1 . 1 . . . . 32 GLN C . 25301 1 88 . 1 1 32 32 GLN CA C 13 54.7 0.1 . 1 . . . . 32 GLN CA . 25301 1 89 . 1 1 32 32 GLN CB C 13 30.8 0.1 . 1 . . . . 32 GLN CB . 25301 1 90 . 1 1 32 32 GLN N N 15 120.32 0.1 . 1 . . . . 32 GLN N . 25301 1 91 . 1 1 33 33 ILE H H 1 9.098 0.002 . 1 . . . . 33 ILE H . 25301 1 92 . 1 1 33 33 ILE C C 13 174.6 0.1 . 1 . . . . 33 ILE C . 25301 1 93 . 1 1 33 33 ILE CA C 13 60.2 0.1 . 1 . . . . 33 ILE CA . 25301 1 94 . 1 1 33 33 ILE CB C 13 41.5 0.1 . 1 . . . . 33 ILE CB . 25301 1 95 . 1 1 33 33 ILE N N 15 128.18 0.1 . 1 . . . . 33 ILE N . 25301 1 96 . 1 1 34 34 VAL H H 1 8.423 0.002 . 1 . . . . 34 VAL H . 25301 1 97 . 1 1 34 34 VAL C C 13 174.8 0.1 . 1 . . . . 34 VAL C . 25301 1 98 . 1 1 34 34 VAL CA C 13 58.7 0.1 . 1 . . . . 34 VAL CA . 25301 1 99 . 1 1 34 34 VAL CB C 13 35.2 0.1 . 1 . . . . 34 VAL CB . 25301 1 100 . 1 1 34 34 VAL N N 15 118.05 0.1 . 1 . . . . 34 VAL N . 25301 1 101 . 1 1 35 35 GLY H H 1 8.015 0.002 . 1 . . . . 35 GLY H . 25301 1 102 . 1 1 35 35 GLY C C 13 171.5 0.1 . 1 . . . . 35 GLY C . 25301 1 103 . 1 1 35 35 GLY CA C 13 45.3 0.1 . 1 . . . . 35 GLY CA . 25301 1 104 . 1 1 35 35 GLY N N 15 102.10 0.1 . 1 . . . . 35 GLY N . 25301 1 105 . 1 1 36 36 ASN H H 1 8.674 0.002 . 1 . . . . 36 ASN H . 25301 1 106 . 1 1 36 36 ASN C C 13 173.4 0.1 . 1 . . . . 36 ASN C . 25301 1 107 . 1 1 36 36 ASN CB C 13 41.0 0.1 . 1 . . . . 36 ASN CB . 25301 1 108 . 1 1 36 36 ASN N N 15 118.73 0.1 . 1 . . . . 36 ASN N . 25301 1 109 . 1 1 39 39 PRO C C 13 175.2 0.1 . 1 . . . . 39 PRO C . 25301 1 110 . 1 1 39 39 PRO CA C 13 62.6 0.1 . 1 . . . . 39 PRO CA . 25301 1 111 . 1 1 39 39 PRO CB C 13 32.7 0.1 . 1 . . . . 39 PRO CB . 25301 1 112 . 1 1 40 40 GLN H H 1 9.044 0.002 . 1 . . . . 40 GLN H . 25301 1 113 . 1 1 40 40 GLN C C 13 176.2 0.1 . 1 . . . . 40 GLN C . 25301 1 114 . 1 1 40 40 GLN CA C 13 55.3 0.1 . 1 . . . . 40 GLN CA . 25301 1 115 . 1 1 40 40 GLN CB C 13 29.4 0.1 . 1 . . . . 40 GLN CB . 25301 1 116 . 1 1 40 40 GLN N N 15 120.18 0.1 . 1 . . . . 40 GLN N . 25301 1 117 . 1 1 41 41 VAL H H 1 8.902 0.002 . 1 . . . . 41 VAL H . 25301 1 118 . 1 1 41 41 VAL C C 13 175.1 0.1 . 1 . . . . 41 VAL C . 25301 1 119 . 1 1 41 41 VAL CA C 13 55.5 0.1 . 1 . . . . 41 VAL CA . 25301 1 120 . 1 1 41 41 VAL CB C 13 29.6 0.1 . 1 . . . . 41 VAL CB . 25301 1 121 . 1 1 41 41 VAL N N 15 129.13 0.1 . 1 . . . . 41 VAL N . 25301 1 122 . 1 1 42 42 SER H H 1 9.154 0.002 . 1 . . . . 42 SER H . 25301 1 123 . 1 1 42 42 SER C C 13 171.2 0.1 . 1 . . . . 42 SER C . 25301 1 124 . 1 1 42 42 SER CA C 13 56.7 0.1 . 1 . . . . 42 SER CA . 25301 1 125 . 1 1 42 42 SER CB C 13 66.3 0.1 . 1 . . . . 42 SER CB . 25301 1 126 . 1 1 42 42 SER N N 15 123.47 0.1 . 1 . . . . 42 SER N . 25301 1 127 . 1 1 43 43 TRP H H 1 9.273 0.002 . 1 . . . . 43 TRP H . 25301 1 128 . 1 1 43 43 TRP C C 13 176.6 0.1 . 1 . . . . 43 TRP C . 25301 1 129 . 1 1 43 43 TRP CA C 13 56.1 0.1 . 1 . . . . 43 TRP CA . 25301 1 130 . 1 1 43 43 TRP CB C 13 32.2 0.1 . 1 . . . . 43 TRP CB . 25301 1 131 . 1 1 43 43 TRP N N 15 119.41 0.1 . 1 . . . . 43 TRP N . 25301 1 132 . 1 1 44 44 GLU H H 1 9.584 0.002 . 1 . . . . 44 GLU H . 25301 1 133 . 1 1 44 44 GLU C C 13 174.4 0.1 . 1 . . . . 44 GLU C . 25301 1 134 . 1 1 44 44 GLU CA C 13 54.4 0.1 . 1 . . . . 44 GLU CA . 25301 1 135 . 1 1 44 44 GLU CB C 13 34.2 0.1 . 1 . . . . 44 GLU CB . 25301 1 136 . 1 1 44 44 GLU N N 15 121.38 0.1 . 1 . . . . 44 GLU N . 25301 1 137 . 1 1 45 45 LYS H H 1 9.018 0.002 . 1 . . . . 45 LYS H . 25301 1 138 . 1 1 45 45 LYS C C 13 176.7 0.1 . 1 . . . . 45 LYS C . 25301 1 139 . 1 1 45 45 LYS CA C 13 57.5 0.1 . 1 . . . . 45 LYS CA . 25301 1 140 . 1 1 45 45 LYS CB C 13 34.2 0.1 . 1 . . . . 45 LYS CB . 25301 1 141 . 1 1 45 45 LYS N N 15 122.67 0.1 . 1 . . . . 45 LYS N . 25301 1 142 . 1 1 46 46 ASP H H 1 9.627 0.002 . 1 . . . . 46 ASP H . 25301 1 143 . 1 1 46 46 ASP C C 13 175.3 0.1 . 1 . . . . 46 ASP C . 25301 1 144 . 1 1 46 46 ASP CA C 13 55.2 0.1 . 1 . . . . 46 ASP CA . 25301 1 145 . 1 1 46 46 ASP CB C 13 39.7 0.1 . 1 . . . . 46 ASP CB . 25301 1 146 . 1 1 46 46 ASP N N 15 130.40 0.1 . 1 . . . . 46 ASP N . 25301 1 147 . 1 1 47 47 GLN H H 1 8.793 0.002 . 1 . . . . 47 GLN H . 25301 1 148 . 1 1 47 47 GLN C C 13 174.8 0.1 . 1 . . . . 47 GLN C . 25301 1 149 . 1 1 47 47 GLN CA C 13 58.1 0.1 . 1 . . . . 47 GLN CA . 25301 1 150 . 1 1 47 47 GLN CB C 13 27.0 0.1 . 1 . . . . 47 GLN CB . 25301 1 151 . 1 1 47 47 GLN N N 15 130.46 0.1 . 1 . . . . 47 GLN N . 25301 1 152 . 1 1 48 48 GLN H H 1 7.948 0.002 . 1 . . . . 48 GLN H . 25301 1 153 . 1 1 48 48 GLN C C 13 173.4 0.1 . 1 . . . . 48 GLN C . 25301 1 154 . 1 1 48 48 GLN CA C 13 52.3 0.1 . 1 . . . . 48 GLN CA . 25301 1 155 . 1 1 48 48 GLN CB C 13 29.4 0.1 . 1 . . . . 48 GLN CB . 25301 1 156 . 1 1 48 48 GLN N N 15 130.46 0.1 . 1 . . . . 48 GLN N . 25301 1 157 . 1 1 49 49 PRO C C 13 174.8 0.1 . 1 . . . . 49 PRO C . 25301 1 158 . 1 1 49 49 PRO CA C 13 63.9 0.1 . 1 . . . . 49 PRO CA . 25301 1 159 . 1 1 49 49 PRO CB C 13 32.5 0.1 . 1 . . . . 49 PRO CB . 25301 1 160 . 1 1 50 50 VAL H H 1 8.454 0.002 . 1 . . . . 50 VAL H . 25301 1 161 . 1 1 50 50 VAL C C 13 175.1 0.1 . 1 . . . . 50 VAL C . 25301 1 162 . 1 1 50 50 VAL CA C 13 62.3 0.1 . 1 . . . . 50 VAL CA . 25301 1 163 . 1 1 50 50 VAL N N 15 125.54 0.1 . 1 . . . . 50 VAL N . 25301 1 164 . 1 1 51 51 THR H H 1 8.120 0.002 . 1 . . . . 51 THR H . 25301 1 165 . 1 1 51 51 THR C C 13 173.4 0.1 . 1 . . . . 51 THR C . 25301 1 166 . 1 1 51 51 THR CA C 13 60.2 0.1 . 1 . . . . 51 THR CA . 25301 1 167 . 1 1 51 51 THR CB C 13 70.8 0.1 . 1 . . . . 51 THR CB . 25301 1 168 . 1 1 51 51 THR N N 15 120.39 0.1 . 1 . . . . 51 THR N . 25301 1 169 . 1 1 52 52 ALA H H 1 8.617 0.002 . 1 . . . . 52 ALA H . 25301 1 170 . 1 1 52 52 ALA C C 13 178.4 0.1 . 1 . . . . 52 ALA C . 25301 1 171 . 1 1 52 52 ALA CA C 13 52.8 0.1 . 1 . . . . 52 ALA CA . 25301 1 172 . 1 1 52 52 ALA CB C 13 19.2 0.1 . 1 . . . . 52 ALA CB . 25301 1 173 . 1 1 52 52 ALA N N 15 125.41 0.1 . 1 . . . . 52 ALA N . 25301 1 174 . 1 1 53 53 GLY H H 1 9.016 0.002 . 1 . . . . 53 GLY H . 25301 1 175 . 1 1 53 53 GLY C C 13 173.4 0.1 . 1 . . . . 53 GLY C . 25301 1 176 . 1 1 53 53 GLY CA C 13 45.7 0.1 . 1 . . . . 53 GLY CA . 25301 1 177 . 1 1 53 53 GLY N N 15 109.66 0.1 . 1 . . . . 53 GLY N . 25301 1 178 . 1 1 54 54 ALA C C 13 179.9 0.1 . 1 . . . . 54 ALA C . 25301 1 179 . 1 1 54 54 ALA CA C 13 55.7 0.1 . 1 . . . . 54 ALA CA . 25301 1 180 . 1 1 54 54 ALA CB C 13 18.5 0.1 . 1 . . . . 54 ALA CB . 25301 1 181 . 1 1 55 55 ARG H H 1 8.630 0.002 . 1 . . . . 55 ARG H . 25301 1 182 . 1 1 55 55 ARG C C 13 173.4 0.1 . 1 . . . . 55 ARG C . 25301 1 183 . 1 1 55 55 ARG CA C 13 56.2 0.1 . 1 . . . . 55 ARG CA . 25301 1 184 . 1 1 55 55 ARG CB C 13 30.7 0.1 . 1 . . . . 55 ARG CB . 25301 1 185 . 1 1 55 55 ARG N N 15 113.32 0.1 . 1 . . . . 55 ARG N . 25301 1 186 . 1 1 56 56 PHE H H 1 6.858 0.002 . 1 . . . . 56 PHE H . 25301 1 187 . 1 1 56 56 PHE C C 13 174.8 0.1 . 1 . . . . 56 PHE C . 25301 1 188 . 1 1 56 56 PHE CA C 13 56.0 0.1 . 1 . . . . 56 PHE CA . 25301 1 189 . 1 1 56 56 PHE CB C 13 41.4 0.1 . 1 . . . . 56 PHE CB . 25301 1 190 . 1 1 56 56 PHE N N 15 114.61 0.1 . 1 . . . . 56 PHE N . 25301 1 191 . 1 1 57 57 ARG H H 1 9.24 0.002 . 1 . . . . 57 ARG H . 25301 1 192 . 1 1 57 57 ARG C C 13 175.0 0.1 . 1 . . . . 57 ARG C . 25301 1 193 . 1 1 57 57 ARG CA C 13 53.8 0.1 . 1 . . . . 57 ARG CA . 25301 1 194 . 1 1 57 57 ARG CB C 13 31.8 0.1 . 1 . . . . 57 ARG CB . 25301 1 195 . 1 1 57 57 ARG N N 15 121.71 0.1 . 1 . . . . 57 ARG N . 25301 1 196 . 1 1 58 58 LEU H H 1 8.771 0.002 . 1 . . . . 58 LEU H . 25301 1 197 . 1 1 58 58 LEU C C 13 176.3 0.1 . 1 . . . . 58 LEU C . 25301 1 198 . 1 1 58 58 LEU CA C 13 55.0 0.1 . 1 . . . . 58 LEU CA . 25301 1 199 . 1 1 58 58 LEU CB C 13 43.9 0.1 . 1 . . . . 58 LEU CB . 25301 1 200 . 1 1 58 58 LEU N N 15 128.54 0.1 . 1 . . . . 58 LEU N . 25301 1 201 . 1 1 59 59 ALA H H 1 8.902 0.002 . 1 . . . . 59 ALA H . 25301 1 202 . 1 1 59 59 ALA C C 13 174.9 0.1 . 1 . . . . 59 ALA C . 25301 1 203 . 1 1 59 59 ALA CA C 13 51.5 0.1 . 1 . . . . 59 ALA CA . 25301 1 204 . 1 1 59 59 ALA CB C 13 23.2 0.1 . 1 . . . . 59 ALA CB . 25301 1 205 . 1 1 59 59 ALA N N 15 124.50 0.1 . 1 . . . . 59 ALA N . 25301 1 206 . 1 1 60 60 GLN H H 1 8.414 0.002 . 1 . . . . 60 GLN H . 25301 1 207 . 1 1 60 60 GLN C C 13 174.4 0.1 . 1 . . . . 60 GLN C . 25301 1 208 . 1 1 60 60 GLN CA C 13 54.3 0.1 . 1 . . . . 60 GLN CA . 25301 1 209 . 1 1 60 60 GLN CB C 13 30.8 0.1 . 1 . . . . 60 GLN CB . 25301 1 210 . 1 1 60 60 GLN N N 15 120.63 0.1 . 1 . . . . 60 GLN N . 25301 1 211 . 1 1 61 61 ASP H H 1 9.021 0.002 . 1 . . . . 61 ASP H . 25301 1 212 . 1 1 61 61 ASP C C 13 176.3 0.1 . 1 . . . . 61 ASP C . 25301 1 213 . 1 1 61 61 ASP CA C 13 52.9 0.1 . 1 . . . . 61 ASP CA . 25301 1 214 . 1 1 61 61 ASP CB C 13 42.1 0.1 . 1 . . . . 61 ASP CB . 25301 1 215 . 1 1 61 61 ASP N N 15 127.02 0.1 . 1 . . . . 61 ASP N . 25301 1 216 . 1 1 62 62 GLY C C 13 173.5 0.1 . 1 . . . . 62 GLY C . 25301 1 217 . 1 1 62 62 GLY CA C 13 47.9 0.1 . 1 . . . . 62 GLY CA . 25301 1 218 . 1 1 63 63 ASP H H 1 8.205 0.002 . 1 . . . . 63 ASP H . 25301 1 219 . 1 1 63 63 ASP C C 13 173.3 0.1 . 1 . . . . 63 ASP C . 25301 1 220 . 1 1 63 63 ASP CA C 13 53.4 0.1 . 1 . . . . 63 ASP CA . 25301 1 221 . 1 1 63 63 ASP CB C 13 40.4 0.1 . 1 . . . . 63 ASP CB . 25301 1 222 . 1 1 63 63 ASP N N 15 127.38 0.1 . 1 . . . . 63 ASP N . 25301 1 223 . 1 1 64 64 LEU C C 13 175.5 0.1 . 1 . . . . 64 LEU C . 25301 1 224 . 1 1 64 64 LEU CA C 13 54.0 0.1 . 1 . . . . 64 LEU CA . 25301 1 225 . 1 1 64 64 LEU CB C 13 43.4 0.1 . 1 . . . . 64 LEU CB . 25301 1 226 . 1 1 65 65 TYR H H 1 9.245 0.002 . 1 . . . . 65 TYR H . 25301 1 227 . 1 1 65 65 TYR C C 13 175.2 0.1 . 1 . . . . 65 TYR C . 25301 1 228 . 1 1 65 65 TYR CA C 13 58.3 0.1 . 1 . . . . 65 TYR CA . 25301 1 229 . 1 1 65 65 TYR CB C 13 39.3 0.1 . 1 . . . . 65 TYR CB . 25301 1 230 . 1 1 65 65 TYR N N 15 125.95 0.1 . 1 . . . . 65 TYR N . 25301 1 231 . 1 1 67 67 LEU C C 13 174.5 0.1 . 1 . . . . 67 LEU C . 25301 1 232 . 1 1 67 67 LEU CA C 13 53.6 0.1 . 1 . . . . 67 LEU CA . 25301 1 233 . 1 1 67 67 LEU CB C 13 42.0 0.1 . 1 . . . . 67 LEU CB . 25301 1 234 . 1 1 68 68 THR H H 1 9.201 0.002 . 1 . . . . 68 THR H . 25301 1 235 . 1 1 68 68 THR C C 13 172.3 0.1 . 1 . . . . 68 THR C . 25301 1 236 . 1 1 68 68 THR CA C 13 61.7 0.1 . 1 . . . . 68 THR CA . 25301 1 237 . 1 1 68 68 THR CB C 13 71.0 0.1 . 1 . . . . 68 THR CB . 25301 1 238 . 1 1 68 68 THR N N 15 124.75 0.1 . 1 . . . . 68 THR N . 25301 1 239 . 1 1 69 69 ILE H H 1 9.145 0.002 . 1 . . . . 69 ILE H . 25301 1 240 . 1 1 69 69 ILE C C 13 174.8 0.1 . 1 . . . . 69 ILE C . 25301 1 241 . 1 1 69 69 ILE CA C 13 60.4 0.1 . 1 . . . . 69 ILE CA . 25301 1 242 . 1 1 69 69 ILE CB C 13 40.3 0.1 . 1 . . . . 69 ILE CB . 25301 1 243 . 1 1 69 69 ILE N N 15 127.81 0.1 . 1 . . . . 69 ILE N . 25301 1 244 . 1 1 72 72 LEU C C 13 177.5 0.1 . 1 . . . . 72 LEU C . 25301 1 245 . 1 1 72 72 LEU CA C 13 56.5 0.1 . 1 . . . . 72 LEU CA . 25301 1 246 . 1 1 72 72 LEU CB C 13 42.0 0.1 . 1 . . . . 72 LEU CB . 25301 1 247 . 1 1 73 73 ALA H H 1 9.575 0.002 . 1 . . . . 73 ALA H . 25301 1 248 . 1 1 73 73 ALA C C 13 178.3 0.1 . 1 . . . . 73 ALA C . 25301 1 249 . 1 1 73 73 ALA CA C 13 49.6 0.1 . 1 . . . . 73 ALA CA . 25301 1 250 . 1 1 73 73 ALA CB C 13 22.1 0.1 . 1 . . . . 73 ALA CB . 25301 1 251 . 1 1 73 73 ALA N N 15 127.18 0.1 . 1 . . . . 73 ALA N . 25301 1 252 . 1 1 74 74 LEU H H 1 8.916 0.002 . 1 . . . . 74 LEU H . 25301 1 253 . 1 1 74 74 LEU C C 13 180.6 0.1 . 1 . . . . 74 LEU C . 25301 1 254 . 1 1 74 74 LEU CA C 13 58.9 0.1 . 1 . . . . 74 LEU CA . 25301 1 255 . 1 1 74 74 LEU CB C 13 41.3 0.1 . 1 . . . . 74 LEU CB . 25301 1 256 . 1 1 74 74 LEU N N 15 121.25 0.1 . 1 . . . . 74 LEU N . 25301 1 257 . 1 1 75 75 GLY C C 13 174.4 0.1 . 1 . . . . 75 GLY C . 25301 1 258 . 1 1 75 75 GLY CA C 13 45.9 0.1 . 1 . . . . 75 GLY CA . 25301 1 259 . 1 1 76 76 ASP H H 1 8.174 0.002 . 1 . . . . 76 ASP H . 25301 1 260 . 1 1 76 76 ASP C C 13 177.2 0.1 . 1 . . . . 76 ASP C . 25301 1 261 . 1 1 76 76 ASP CA C 13 55.3 0.1 . 1 . . . . 76 ASP CA . 25301 1 262 . 1 1 76 76 ASP CB C 13 41.3 0.1 . 1 . . . . 76 ASP CB . 25301 1 263 . 1 1 76 76 ASP N N 15 117.51 0.1 . 1 . . . . 76 ASP N . 25301 1 264 . 1 1 77 77 SER H H 1 7.728 0.002 . 1 . . . . 77 SER H . 25301 1 265 . 1 1 77 77 SER C C 13 173.7 0.1 . 1 . . . . 77 SER C . 25301 1 266 . 1 1 77 77 SER CA C 13 60.1 0.1 . 1 . . . . 77 SER CA . 25301 1 267 . 1 1 77 77 SER CB C 13 64.5 0.1 . 1 . . . . 77 SER CB . 25301 1 268 . 1 1 77 77 SER N N 15 117.01 0.1 . 1 . . . . 77 SER N . 25301 1 269 . 1 1 78 78 GLY H H 1 9.145 0.002 . 1 . . . . 78 GLY H . 25301 1 270 . 1 1 78 78 GLY C C 13 171.2 0.1 . 1 . . . . 78 GLY C . 25301 1 271 . 1 1 78 78 GLY CA C 13 45.3 0.1 . 1 . . . . 78 GLY CA . 25301 1 272 . 1 1 78 78 GLY N N 15 111.18 0.1 . 1 . . . . 78 GLY N . 25301 1 273 . 1 1 79 79 GLN H H 1 8.836 0.002 . 1 . . . . 79 GLN H . 25301 1 274 . 1 1 79 79 GLN C C 13 175.3 0.1 . 1 . . . . 79 GLN C . 25301 1 275 . 1 1 79 79 GLN CA C 13 54.9 0.1 . 1 . . . . 79 GLN CA . 25301 1 276 . 1 1 79 79 GLN CB C 13 30.0 0.1 . 1 . . . . 79 GLN CB . 25301 1 277 . 1 1 79 79 GLN N N 15 120.30 0.1 . 1 . . . . 79 GLN N . 25301 1 278 . 1 1 80 80 TYR H H 1 9.546 0.002 . 1 . . . . 80 TYR H . 25301 1 279 . 1 1 80 80 TYR C C 13 175.3 0.1 . 1 . . . . 80 TYR C . 25301 1 280 . 1 1 80 80 TYR CA C 13 57.5 0.1 . 1 . . . . 80 TYR CA . 25301 1 281 . 1 1 80 80 TYR CB C 13 40.3 0.1 . 1 . . . . 80 TYR CB . 25301 1 282 . 1 1 80 80 TYR N N 15 128.55 0.1 . 1 . . . . 80 TYR N . 25301 1 283 . 1 1 81 81 VAL H H 1 9.441 0.002 . 1 . . . . 81 VAL H . 25301 1 284 . 1 1 81 81 VAL C C 13 174.3 0.1 . 1 . . . . 81 VAL C . 25301 1 285 . 1 1 81 81 VAL CA C 13 60.7 0.1 . 1 . . . . 81 VAL CA . 25301 1 286 . 1 1 81 81 VAL CB C 13 35.7 0.1 . 1 . . . . 81 VAL CB . 25301 1 287 . 1 1 81 81 VAL N N 15 122.57 0.1 . 1 . . . . 81 VAL N . 25301 1 288 . 1 1 82 82 CYS H H 1 8.795 0.002 . 1 . . . . 82 CYS H . 25301 1 289 . 1 1 82 82 CYS C C 13 173.4 0.1 . 1 . . . . 82 CYS C . 25301 1 290 . 1 1 82 82 CYS CA C 13 57.2 0.1 . 1 . . . . 82 CYS CA . 25301 1 291 . 1 1 82 82 CYS CB C 13 36.1 0.1 . 1 . . . . 82 CYS CB . 25301 1 292 . 1 1 82 82 CYS N N 15 128.65 0.1 . 1 . . . . 82 CYS N . 25301 1 293 . 1 1 83 83 ARG H H 1 9.185 0.002 . 1 . . . . 83 ARG H . 25301 1 294 . 1 1 83 83 ARG C C 13 173.5 0.1 . 1 . . . . 83 ARG C . 25301 1 295 . 1 1 83 83 ARG CA C 13 55.1 0.1 . 1 . . . . 83 ARG CA . 25301 1 296 . 1 1 83 83 ARG CB C 13 32.7 0.1 . 1 . . . . 83 ARG CB . 25301 1 297 . 1 1 83 83 ARG N N 15 129.48 0.1 . 1 . . . . 83 ARG N . 25301 1 298 . 1 1 84 84 ALA H H 1 9.096 0.002 . 1 . . . . 84 ALA H . 25301 1 299 . 1 1 84 84 ALA C C 13 175.2 0.1 . 1 . . . . 84 ALA C . 25301 1 300 . 1 1 84 84 ALA CA C 13 49.5 0.1 . 1 . . . . 84 ALA CA . 25301 1 301 . 1 1 84 84 ALA CB C 13 23.5 0.1 . 1 . . . . 84 ALA CB . 25301 1 302 . 1 1 84 84 ALA N N 15 125.97 0.1 . 1 . . . . 84 ALA N . 25301 1 303 . 1 1 85 85 ARG H H 1 8.728 0.002 . 1 . . . . 85 ARG H . 25301 1 304 . 1 1 85 85 ARG C C 13 175.0 0.1 . 1 . . . . 85 ARG C . 25301 1 305 . 1 1 85 85 ARG CA C 13 54.9 0.1 . 1 . . . . 85 ARG CA . 25301 1 306 . 1 1 85 85 ARG CB C 13 34.9 0.1 . 1 . . . . 85 ARG CB . 25301 1 307 . 1 1 85 85 ARG N N 15 120.88 0.1 . 1 . . . . 85 ARG N . 25301 1 308 . 1 1 86 86 ASN H H 1 9.124 0.002 . 1 . . . . 86 ASN H . 25301 1 309 . 1 1 86 86 ASN C C 13 175.4 0.1 . 1 . . . . 86 ASN C . 25301 1 310 . 1 1 86 86 ASN CA C 13 51.8 0.1 . 1 . . . . 86 ASN CA . 25301 1 311 . 1 1 86 86 ASN CB C 13 40.5 0.1 . 1 . . . . 86 ASN CB . 25301 1 312 . 1 1 86 86 ASN N N 15 121.81 0.1 . 1 . . . . 86 ASN N . 25301 1 313 . 1 1 87 87 ALA H H 1 8.440 0.002 . 1 . . . . 87 ALA H . 25301 1 314 . 1 1 87 87 ALA C C 13 177.7 0.1 . 1 . . . . 87 ALA C . 25301 1 315 . 1 1 87 87 ALA CA C 13 54.5 0.1 . 1 . . . . 87 ALA CA . 25301 1 316 . 1 1 87 87 ALA CB C 13 19.1 0.1 . 1 . . . . 87 ALA CB . 25301 1 317 . 1 1 87 87 ALA N N 15 115.83 0.1 . 1 . . . . 87 ALA N . 25301 1 318 . 1 1 88 88 ILE H H 1 7.711 0.002 . 1 . . . . 88 ILE H . 25301 1 319 . 1 1 88 88 ILE C C 13 176.9 0.1 . 1 . . . . 88 ILE C . 25301 1 320 . 1 1 88 88 ILE CA C 13 60.7 0.1 . 1 . . . . 88 ILE CA . 25301 1 321 . 1 1 88 88 ILE CB C 13 38.0 0.1 . 1 . . . . 88 ILE CB . 25301 1 322 . 1 1 88 88 ILE N N 15 115.58 0.1 . 1 . . . . 88 ILE N . 25301 1 323 . 1 1 89 89 GLY H H 1 7.798 0.002 . 1 . . . . 89 GLY H . 25301 1 324 . 1 1 89 89 GLY C C 13 170.7 0.1 . 1 . . . . 89 GLY C . 25301 1 325 . 1 1 89 89 GLY CA C 13 46.3 0.1 . 1 . . . . 89 GLY CA . 25301 1 326 . 1 1 89 89 GLY N N 15 102.90 0.1 . 1 . . . . 89 GLY N . 25301 1 327 . 1 1 90 90 GLU H H 1 8.539 0.002 . 1 . . . . 90 GLU H . 25301 1 328 . 1 1 90 90 GLU C C 13 174.6 0.1 . 1 . . . . 90 GLU C . 25301 1 329 . 1 1 90 90 GLU CA C 13 54.3 0.1 . 1 . . . . 90 GLU CA . 25301 1 330 . 1 1 90 90 GLU CB C 13 34.2 0.1 . 1 . . . . 90 GLU CB . 25301 1 331 . 1 1 90 90 GLU N N 15 117.78 0.1 . 1 . . . . 90 GLU N . 25301 1 332 . 1 1 91 91 ALA H H 1 9.205 0.002 . 1 . . . . 91 ALA H . 25301 1 333 . 1 1 91 91 ALA C C 13 174.7 0.1 . 1 . . . . 91 ALA C . 25301 1 334 . 1 1 91 91 ALA CA C 13 51.2 0.1 . 1 . . . . 91 ALA CA . 25301 1 335 . 1 1 91 91 ALA CB C 13 23.6 0.1 . 1 . . . . 91 ALA CB . 25301 1 336 . 1 1 91 91 ALA N N 15 125.45 0.1 . 1 . . . . 91 ALA N . 25301 1 337 . 1 1 92 92 PHE H H 1 8.502 0.002 . 1 . . . . 92 PHE H . 25301 1 338 . 1 1 92 92 PHE C C 13 173.2 0.1 . 1 . . . . 92 PHE C . 25301 1 339 . 1 1 92 92 PHE CA C 13 56.2 0.1 . 1 . . . . 92 PHE CA . 25301 1 340 . 1 1 92 92 PHE CB C 13 42.5 0.1 . 1 . . . . 92 PHE CB . 25301 1 341 . 1 1 92 92 PHE N N 15 116.94 0.1 . 1 . . . . 92 PHE N . 25301 1 342 . 1 1 93 93 ALA H H 1 8.493 0.002 . 1 . . . . 93 ALA H . 25301 1 343 . 1 1 93 93 ALA C C 13 174.8 0.1 . 1 . . . . 93 ALA C . 25301 1 344 . 1 1 93 93 ALA CA C 13 51.4 0.1 . 1 . . . . 93 ALA CA . 25301 1 345 . 1 1 93 93 ALA CB C 13 21.5 0.1 . 1 . . . . 93 ALA CB . 25301 1 346 . 1 1 93 93 ALA N N 15 122.07 0.1 . 1 . . . . 93 ALA N . 25301 1 347 . 1 1 94 94 ALA H H 1 8.588 0.002 . 1 . . . . 94 ALA H . 25301 1 348 . 1 1 94 94 ALA C C 13 177.2 0.1 . 1 . . . . 94 ALA C . 25301 1 349 . 1 1 94 94 ALA CA C 13 50.6 0.1 . 1 . . . . 94 ALA CA . 25301 1 350 . 1 1 94 94 ALA CB C 13 22.2 0.1 . 1 . . . . 94 ALA CB . 25301 1 351 . 1 1 94 94 ALA N N 15 124.58 0.1 . 1 . . . . 94 ALA N . 25301 1 352 . 1 1 95 95 VAL H H 1 9.729 0.002 . 1 . . . . 95 VAL H . 25301 1 353 . 1 1 95 95 VAL C C 13 173.1 0.1 . 1 . . . . 95 VAL C . 25301 1 354 . 1 1 95 95 VAL CA C 13 60.9 0.1 . 1 . . . . 95 VAL CA . 25301 1 355 . 1 1 95 95 VAL CB C 13 35.2 0.1 . 1 . . . . 95 VAL CB . 25301 1 356 . 1 1 95 95 VAL N N 15 122.49 0.1 . 1 . . . . 95 VAL N . 25301 1 357 . 1 1 96 96 GLY C C 13 172.3 0.1 . 1 . . . . 96 GLY C . 25301 1 358 . 1 1 96 96 GLY CA C 13 45.7 0.1 . 1 . . . . 96 GLY CA . 25301 1 359 . 1 1 97 97 LEU H H 1 8.961 0.002 . 1 . . . . 97 LEU H . 25301 1 360 . 1 1 97 97 LEU C C 13 175.5 0.1 . 1 . . . . 97 LEU C . 25301 1 361 . 1 1 97 97 LEU CA C 13 54.6 0.1 . 1 . . . . 97 LEU CA . 25301 1 362 . 1 1 97 97 LEU CB C 13 41.3 0.1 . 1 . . . . 97 LEU CB . 25301 1 363 . 1 1 97 97 LEU N N 15 126.18 0.1 . 1 . . . . 97 LEU N . 25301 1 364 . 1 1 98 98 GLN H H 1 8.465 0.002 . 1 . . . . 98 GLN H . 25301 1 365 . 1 1 98 98 GLN C C 13 174.1 0.1 . 1 . . . . 98 GLN C . 25301 1 366 . 1 1 98 98 GLN N N 15 121.27 0.1 . 1 . . . . 98 GLN N . 25301 1 367 . 1 1 100 100 ASP C C 13 176.3 0.1 . 1 . . . . 100 ASP C . 25301 1 368 . 1 1 100 100 ASP CA C 13 56.6 0.1 . 1 . . . . 100 ASP CA . 25301 1 369 . 1 1 100 100 ASP CB C 13 40.7 0.1 . 1 . . . . 100 ASP CB . 25301 1 370 . 1 1 101 101 ALA H H 1 8.406 0.002 . 1 . . . . 101 ALA H . 25301 1 371 . 1 1 101 101 ALA C C 13 177.4 0.1 . 1 . . . . 101 ALA C . 25301 1 372 . 1 1 101 101 ALA CA C 13 52.5 0.1 . 1 . . . . 101 ALA CA . 25301 1 373 . 1 1 101 101 ALA CB C 13 19.1 0.1 . 1 . . . . 101 ALA CB . 25301 1 374 . 1 1 101 101 ALA N N 15 125.45 0.1 . 1 . . . . 101 ALA N . 25301 1 375 . 1 1 102 102 GLU C C 13 174.9 0.1 . 1 . . . . 102 GLU C . 25301 1 376 . 1 1 102 102 GLU CA C 13 55.4 0.1 . 1 . . . . 102 GLU CA . 25301 1 377 . 1 1 102 102 GLU CB C 13 34.8 0.1 . 1 . . . . 102 GLU CB . 25301 1 378 . 1 1 103 103 ALA H H 1 8.203 0.002 . 1 . . . . 103 ALA H . 25301 1 379 . 1 1 103 103 ALA C C 13 177.5 0.1 . 1 . . . . 103 ALA C . 25301 1 380 . 1 1 103 103 ALA CA C 13 52.6 0.1 . 1 . . . . 103 ALA CA . 25301 1 381 . 1 1 103 103 ALA CB C 13 19.3 0.1 . 1 . . . . 103 ALA CB . 25301 1 382 . 1 1 103 103 ALA N N 15 122.94 0.1 . 1 . . . . 103 ALA N . 25301 1 383 . 1 1 104 104 ALA H H 1 8.339 0.002 . 1 . . . . 104 ALA H . 25301 1 384 . 1 1 104 104 ALA C C 13 177.7 0.1 . 1 . . . . 104 ALA C . 25301 1 385 . 1 1 104 104 ALA CA C 13 52.4 0.1 . 1 . . . . 104 ALA CA . 25301 1 386 . 1 1 104 104 ALA CB C 13 19.1 0.1 . 1 . . . . 104 ALA CB . 25301 1 387 . 1 1 104 104 ALA N N 15 123.62 0.1 . 1 . . . . 104 ALA N . 25301 1 388 . 1 1 105 105 LEU H H 1 8.439 0.002 . 1 . . . . 105 LEU H . 25301 1 389 . 1 1 105 105 LEU C C 13 177.8 0.1 . 1 . . . . 105 LEU C . 25301 1 390 . 1 1 105 105 LEU CA C 13 56.6 0.1 . 1 . . . . 105 LEU CA . 25301 1 391 . 1 1 105 105 LEU CB C 13 40.5 0.1 . 1 . . . . 105 LEU CB . 25301 1 392 . 1 1 105 105 LEU N N 15 119.35 0.1 . 1 . . . . 105 LEU N . 25301 1 393 . 1 1 106 106 GLU C C 13 179.1 0.1 . 1 . . . . 106 GLU C . 25301 1 394 . 1 1 107 107 HIS H H 1 8.461 0.002 . 1 . . . . 107 HIS H . 25301 1 395 . 1 1 107 107 HIS C C 13 176.2 0.1 . 1 . . . . 107 HIS C . 25301 1 396 . 1 1 107 107 HIS N N 15 119.41 0.1 . 1 . . . . 107 HIS N . 25301 1 397 . 1 1 108 108 HIS H H 1 8.146 0.002 . 1 . . . . 108 HIS H . 25301 1 398 . 1 1 108 108 HIS C C 13 177.9 0.1 . 1 . . . . 108 HIS C . 25301 1 399 . 1 1 108 108 HIS CA C 13 56.0 0.1 . 1 . . . . 108 HIS CA . 25301 1 400 . 1 1 108 108 HIS CB C 13 32.0 0.1 . 1 . . . . 108 HIS CB . 25301 1 401 . 1 1 108 108 HIS N N 15 124.61 0.1 . 1 . . . . 108 HIS N . 25301 1 402 . 1 1 109 109 HIS H H 1 8.371 0.002 . 1 . . . . 109 HIS H . 25301 1 403 . 1 1 109 109 HIS C C 13 174.7 0.1 . 1 . . . . 109 HIS C . 25301 1 404 . 1 1 109 109 HIS N N 15 124.32 0.1 . 1 . . . . 109 HIS N . 25301 1 405 . 1 1 110 110 HIS H H 1 9.052 0.002 . 1 . . . . 110 HIS H . 25301 1 406 . 1 1 110 110 HIS C C 13 174.8 0.1 . 1 . . . . 110 HIS C . 25301 1 407 . 1 1 110 110 HIS CA C 13 54.5 0.1 . 1 . . . . 110 HIS CA . 25301 1 408 . 1 1 110 110 HIS CB C 13 35.4 0.1 . 1 . . . . 110 HIS CB . 25301 1 409 . 1 1 110 110 HIS N N 15 120.21 0.1 . 1 . . . . 110 HIS N . 25301 1 410 . 1 1 111 111 HIS H H 1 8.630 0.002 . 1 . . . . 111 HIS H . 25301 1 411 . 1 1 111 111 HIS C C 13 174.6 0.1 . 1 . . . . 111 HIS C . 25301 1 412 . 1 1 111 111 HIS CA C 13 56.5 0.1 . 1 . . . . 111 HIS CA . 25301 1 413 . 1 1 111 111 HIS CB C 13 31.1 0.1 . 1 . . . . 111 HIS CB . 25301 1 414 . 1 1 111 111 HIS N N 15 126.00 0.1 . 1 . . . . 111 HIS N . 25301 1 415 . 1 1 112 112 HIS H H 1 7.910 0.002 . 1 . . . . 112 HIS H . 25301 1 416 . 1 1 112 112 HIS C C 13 170.0 0.1 . 1 . . . . 112 HIS C . 25301 1 417 . 1 1 112 112 HIS CA C 13 57.9 0.1 . 1 . . . . 112 HIS CA . 25301 1 418 . 1 1 112 112 HIS CB C 13 31.2 0.1 . 1 . . . . 112 HIS CB . 25301 1 419 . 1 1 112 112 HIS N N 15 126.22 0.1 . 1 . . . . 112 HIS N . 25301 1 stop_ save_