data_27111 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27111 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Musashi2 RRM1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-05-23 _Entry.Accession_date 2017-05-23 _Entry.Last_release_date 2017-05-24 _Entry.Original_release_date 2017-05-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . 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.ORCID _Entry_author.Entry_ID 1 Lan Lan . . . . 27111 2 Minli Xing . . . . 27111 3 Justin Douglas . T. . . 27111 4 Philip Gao . . . . 27111 5 Robert Hanzlik . P. . . 27111 6 Liang Xu . . . . 27111 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Xu group; Department of Molecular Biosciences, The University of Kansas' . 27111 2 . ; Bio-NMR Core Facility, NIH COBRE in Protein Structure and Function, The University of Kansas ; . 27111 3 . ; Protein Production Group, NIH COBRE in Protein Structure and Function, The University of Kansas ; . 27111 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27111 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 216 27111 '15N chemical shifts' 99 27111 '1H chemical shifts' 99 27111 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 . . 2017-12-12 . original BMRB . 27111 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27111 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Human oncoprotein Musashi-2 N-terminal RNA recognition motif backbone assignment and identification of RNA-binding pocket ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Oncotarget _Citation.Journal_name_full . _Citation.Journal_volume 8 _Citation.Journal_issue . _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 106587 _Citation.Page_last 106597 _Citation.Year 2017 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Lan Lan . . . . 27111 1 2 Minli Xing . . . . 27111 1 3 Justin Douglas . T. . . 27111 1 4 Philip Gao . . . . 27111 1 5 Robert Hanzlik . P. . . 27111 1 6 Liang Xu . . . . 27111 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27111 _Assembly.ID 1 _Assembly.Name 'MSI2 RRM1' _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 13129.91 _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 'MSI2 RRM1' 1 $MSI2_RRM1 A . yes native no no . . . 27111 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MSI2_RRM1 _Entity.Sf_category entity _Entity.Sf_framecode MSI2_RRM1 _Entity.Entry_ID 27111 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MSI2_RRM1 _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 ; MHHHHHHSTSVDLGTENLYF QSNAGKMFIGGLSWQTSPDS LRDYFSKFGEIRECMVMRDP TTKRSRGFGFVTFADPASVD KVLGQPHHELDSKTIDPKVA FPRRAQPKMVTRTKK ; _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 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . yes UNP Q96DH6-1 . . . . . . . . . . . . . . . . 27111 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 -3 MET . 27111 1 2 -2 HIS . 27111 1 3 -1 HIS . 27111 1 4 0 HIS . 27111 1 5 1 HIS . 27111 1 6 2 HIS . 27111 1 7 3 HIS . 27111 1 8 4 SER . 27111 1 9 5 THR . 27111 1 10 6 SER . 27111 1 11 7 VAL . 27111 1 12 8 ASP . 27111 1 13 9 LEU . 27111 1 14 10 GLY . 27111 1 15 11 THR . 27111 1 16 12 GLU . 27111 1 17 13 ASN . 27111 1 18 14 LEU . 27111 1 19 15 TYR . 27111 1 20 16 PHE . 27111 1 21 17 GLN . 27111 1 22 18 SER . 27111 1 23 19 ASN . 27111 1 24 20 ALA . 27111 1 25 21 GLY . 27111 1 26 22 LYS . 27111 1 27 23 MET . 27111 1 28 24 PHE . 27111 1 29 25 ILE . 27111 1 30 26 GLY . 27111 1 31 27 GLY . 27111 1 32 28 LEU . 27111 1 33 29 SER . 27111 1 34 30 TRP . 27111 1 35 31 GLN . 27111 1 36 32 THR . 27111 1 37 33 SER . 27111 1 38 34 PRO . 27111 1 39 35 ASP . 27111 1 40 36 SER . 27111 1 41 37 LEU . 27111 1 42 38 ARG . 27111 1 43 39 ASP . 27111 1 44 40 TYR . 27111 1 45 41 PHE . 27111 1 46 42 SER . 27111 1 47 43 LYS . 27111 1 48 44 PHE . 27111 1 49 45 GLY . 27111 1 50 46 GLU . 27111 1 51 47 ILE . 27111 1 52 48 ARG . 27111 1 53 49 GLU . 27111 1 54 50 CYS . 27111 1 55 51 MET . 27111 1 56 52 VAL . 27111 1 57 53 MET . 27111 1 58 54 ARG . 27111 1 59 55 ASP . 27111 1 60 56 PRO . 27111 1 61 57 THR . 27111 1 62 58 THR . 27111 1 63 59 LYS . 27111 1 64 60 ARG . 27111 1 65 61 SER . 27111 1 66 62 ARG . 27111 1 67 63 GLY . 27111 1 68 64 PHE . 27111 1 69 65 GLY . 27111 1 70 66 PHE . 27111 1 71 67 VAL . 27111 1 72 68 THR . 27111 1 73 69 PHE . 27111 1 74 70 ALA . 27111 1 75 71 ASP . 27111 1 76 72 PRO . 27111 1 77 73 ALA . 27111 1 78 74 SER . 27111 1 79 75 VAL . 27111 1 80 76 ASP . 27111 1 81 77 LYS . 27111 1 82 78 VAL . 27111 1 83 79 LEU . 27111 1 84 80 GLY . 27111 1 85 81 GLN . 27111 1 86 82 PRO . 27111 1 87 83 HIS . 27111 1 88 84 HIS . 27111 1 89 85 GLU . 27111 1 90 86 LEU . 27111 1 91 87 ASP . 27111 1 92 88 SER . 27111 1 93 89 LYS . 27111 1 94 90 THR . 27111 1 95 91 ILE . 27111 1 96 92 ASP . 27111 1 97 93 PRO . 27111 1 98 94 LYS . 27111 1 99 95 VAL . 27111 1 100 96 ALA . 27111 1 101 97 PHE . 27111 1 102 98 PRO . 27111 1 103 99 ARG . 27111 1 104 100 ARG . 27111 1 105 101 ALA . 27111 1 106 102 GLN . 27111 1 107 103 PRO . 27111 1 108 104 LYS . 27111 1 109 105 MET . 27111 1 110 106 VAL . 27111 1 111 107 THR . 27111 1 112 108 ARG . 27111 1 113 109 THR . 27111 1 114 110 LYS . 27111 1 115 111 LYS . 27111 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 27111 1 . HIS 2 2 27111 1 . HIS 3 3 27111 1 . HIS 4 4 27111 1 . HIS 5 5 27111 1 . HIS 6 6 27111 1 . HIS 7 7 27111 1 . SER 8 8 27111 1 . THR 9 9 27111 1 . SER 10 10 27111 1 . VAL 11 11 27111 1 . ASP 12 12 27111 1 . LEU 13 13 27111 1 . GLY 14 14 27111 1 . THR 15 15 27111 1 . GLU 16 16 27111 1 . ASN 17 17 27111 1 . LEU 18 18 27111 1 . TYR 19 19 27111 1 . PHE 20 20 27111 1 . GLN 21 21 27111 1 . SER 22 22 27111 1 . ASN 23 23 27111 1 . ALA 24 24 27111 1 . GLY 25 25 27111 1 . LYS 26 26 27111 1 . MET 27 27 27111 1 . PHE 28 28 27111 1 . ILE 29 29 27111 1 . GLY 30 30 27111 1 . GLY 31 31 27111 1 . LEU 32 32 27111 1 . SER 33 33 27111 1 . TRP 34 34 27111 1 . GLN 35 35 27111 1 . THR 36 36 27111 1 . SER 37 37 27111 1 . PRO 38 38 27111 1 . ASP 39 39 27111 1 . SER 40 40 27111 1 . LEU 41 41 27111 1 . ARG 42 42 27111 1 . ASP 43 43 27111 1 . TYR 44 44 27111 1 . PHE 45 45 27111 1 . SER 46 46 27111 1 . LYS 47 47 27111 1 . PHE 48 48 27111 1 . GLY 49 49 27111 1 . GLU 50 50 27111 1 . ILE 51 51 27111 1 . ARG 52 52 27111 1 . GLU 53 53 27111 1 . CYS 54 54 27111 1 . MET 55 55 27111 1 . VAL 56 56 27111 1 . MET 57 57 27111 1 . ARG 58 58 27111 1 . ASP 59 59 27111 1 . PRO 60 60 27111 1 . THR 61 61 27111 1 . THR 62 62 27111 1 . LYS 63 63 27111 1 . ARG 64 64 27111 1 . SER 65 65 27111 1 . ARG 66 66 27111 1 . GLY 67 67 27111 1 . PHE 68 68 27111 1 . GLY 69 69 27111 1 . PHE 70 70 27111 1 . VAL 71 71 27111 1 . THR 72 72 27111 1 . PHE 73 73 27111 1 . ALA 74 74 27111 1 . ASP 75 75 27111 1 . PRO 76 76 27111 1 . ALA 77 77 27111 1 . SER 78 78 27111 1 . VAL 79 79 27111 1 . ASP 80 80 27111 1 . LYS 81 81 27111 1 . VAL 82 82 27111 1 . LEU 83 83 27111 1 . GLY 84 84 27111 1 . GLN 85 85 27111 1 . PRO 86 86 27111 1 . HIS 87 87 27111 1 . HIS 88 88 27111 1 . GLU 89 89 27111 1 . LEU 90 90 27111 1 . ASP 91 91 27111 1 . SER 92 92 27111 1 . LYS 93 93 27111 1 . THR 94 94 27111 1 . ILE 95 95 27111 1 . ASP 96 96 27111 1 . PRO 97 97 27111 1 . LYS 98 98 27111 1 . VAL 99 99 27111 1 . ALA 100 100 27111 1 . PHE 101 101 27111 1 . PRO 102 102 27111 1 . ARG 103 103 27111 1 . ARG 104 104 27111 1 . ALA 105 105 27111 1 . GLN 106 106 27111 1 . PRO 107 107 27111 1 . LYS 108 108 27111 1 . MET 109 109 27111 1 . VAL 110 110 27111 1 . THR 111 111 27111 1 . ARG 112 112 27111 1 . THR 113 113 27111 1 . LYS 114 114 27111 1 . LYS 115 115 27111 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 27111 _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 $MSI2_RRM1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27111 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 27111 _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 $MSI2_RRM1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pTBSG . . . 27111 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27111 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 3 _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 'MSI2 RRM1' '[U-95% 13C; U-90% 15N]' . . 1 $MSI2_RRM1 . . 0.7 . . mM . . . . 27111 1 2 'MSI2 RRM1' '[U-95% 13C; U-90% 15N]' . . 1 $MSI2_RRM1 . . 0.6 . . mM . . . . 27111 1 3 'MSI2 RRM1' '[U-95% 13C; U-90% 15N]' . . 1 $MSI2_RRM1 . . 0.8 . . mM . . . . 27111 1 4 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 27111 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27111 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'MSI2 RRM1' '[U-90% 15N]' . . 1 $MSI2_RRM1 . . 0.5 . . mM . . . . 27111 2 2 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 27111 2 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 27111 _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' 150 . mM 27111 1 pH 6.0 . pH 27111 1 pressure 1 . atm 27111 1 temperature 298 . K 27111 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 27111 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 27111 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27111 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 27111 _Software.ID 2 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27111 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27111 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27111 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27111 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27111 3 stop_ save_ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 27111 _Software.ID 4 _Software.Type . _Software.Name CCPN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27111 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27111 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 27111 _Software.ID 5 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 27111 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27111 5 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 27111 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27111 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 27111 _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 DRX . 800 . . . 27111 1 2 spectrometer_2 Bruker DRX . 600 . . . 27111 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 27111 _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 . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27111 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27111 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27111 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27111 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27111 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27111 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27111 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 27111 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27111 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27111 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27111 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 27111 _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' . . . 27111 1 2 '3D CBCA(CO)NH' . . . 27111 1 3 '3D HNCO' . . . 27111 1 4 '3D HNCA' . . . 27111 1 5 '3D HNCACB' . . . 27111 1 6 '3D HN(CO)CA' . . . 27111 1 7 '3D HN(CA)CO' . . . 27111 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.Ambiguity_set_ID _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 8 8 SER C C 13 174.63 0.1 . 1 . . . . . 4 SER C . 27111 1 2 . 1 1 8 8 SER CA C 13 58.47 0.5 . 1 . . . . . 4 SER CA . 27111 1 3 . 1 1 9 9 THR H H 1 8.28 0.03 . 1 . . . . . 5 THR H . 27111 1 4 . 1 1 9 9 THR C C 13 174.57 0.1 . 1 . . . . . 5 THR C . 27111 1 5 . 1 1 9 9 THR CA C 13 61.89 0.5 . 1 . . . . . 5 THR CA . 27111 1 6 . 1 1 9 9 THR N N 15 115.61 0.25 . 1 . . . . . 5 THR N . 27111 1 7 . 1 1 10 10 SER H H 1 8.30 0.03 . 1 . . . . . 6 SER H . 27111 1 8 . 1 1 10 10 SER C C 13 174.52 0.1 . 1 . . . . . 6 SER C . 27111 1 9 . 1 1 10 10 SER CA C 13 58.41 0.5 . 1 . . . . . 6 SER CA . 27111 1 10 . 1 1 10 10 SER N N 15 117.99 0.25 . 1 . . . . . 6 SER N . 27111 1 11 . 1 1 11 11 VAL H H 1 8.07 0.03 . 1 . . . . . 7 VAL H . 27111 1 12 . 1 1 11 11 VAL C C 13 175.57 0.1 . 1 . . . . . 7 VAL C . 27111 1 13 . 1 1 11 11 VAL CA C 13 62.22 0.5 . 1 . . . . . 7 VAL CA . 27111 1 14 . 1 1 11 11 VAL N N 15 121.14 0.25 . 1 . . . . . 7 VAL N . 27111 1 15 . 1 1 12 12 ASP H H 1 8.32 0.03 . 1 . . . . . 8 ASP H . 27111 1 16 . 1 1 12 12 ASP C C 13 176.20 0.1 . 1 . . . . . 8 ASP C . 27111 1 17 . 1 1 12 12 ASP CA C 13 55.60 0.5 . 1 . . . . . 8 ASP CA . 27111 1 18 . 1 1 12 12 ASP N N 15 123.66 0.25 . 1 . . . . . 8 ASP N . 27111 1 19 . 1 1 13 13 LEU H H 1 8.32 0.03 . 1 . . . . . 9 LEU H . 27111 1 20 . 1 1 13 13 LEU C C 13 178.13 0.1 . 1 . . . . . 9 LEU C . 27111 1 21 . 1 1 13 13 LEU CA C 13 55.53 0.5 . 1 . . . . . 9 LEU CA . 27111 1 22 . 1 1 13 13 LEU N N 15 123.64 0.25 . 1 . . . . . 9 LEU N . 27111 1 23 . 1 1 14 14 GLY H H 1 8.51 0.03 . 1 . . . . . 10 GLY H . 27111 1 24 . 1 1 14 14 GLY C C 13 174.90 0.1 . 1 . . . . . 10 GLY C . 27111 1 25 . 1 1 14 14 GLY CA C 13 45.72 0.5 . 1 . . . . . 10 GLY CA . 27111 1 26 . 1 1 14 14 GLY N N 15 109.06 0.25 . 1 . . . . . 10 GLY N . 27111 1 27 . 1 1 15 15 THR H H 1 7.97 0.03 . 1 . . . . . 11 THR H . 27111 1 28 . 1 1 15 15 THR C C 13 175.11 0.1 . 1 . . . . . 11 THR C . 27111 1 29 . 1 1 15 15 THR CA C 13 62.45 0.5 . 1 . . . . . 11 THR CA . 27111 1 30 . 1 1 15 15 THR N N 15 113.03 0.25 . 1 . . . . . 11 THR N . 27111 1 31 . 1 1 16 16 GLU H H 1 8.52 0.03 . 1 . . . . . 12 GLU H . 27111 1 32 . 1 1 16 16 GLU C C 13 176.47 0.1 . 1 . . . . . 12 GLU C . 27111 1 33 . 1 1 16 16 GLU CA C 13 57.50 0.5 . 1 . . . . . 12 GLU CA . 27111 1 34 . 1 1 16 16 GLU N N 15 122.51 0.25 . 1 . . . . . 12 GLU N . 27111 1 35 . 1 1 17 17 ASN H H 1 8.33 0.03 . 1 . . . . . 13 ASN H . 27111 1 36 . 1 1 17 17 ASN C C 13 175.53 0.1 . 1 . . . . . 13 ASN C . 27111 1 37 . 1 1 17 17 ASN CA C 13 53.84 0.5 . 1 . . . . . 13 ASN CA . 27111 1 38 . 1 1 17 17 ASN N N 15 118.57 0.25 . 1 . . . . . 13 ASN N . 27111 1 39 . 1 1 18 18 LEU H H 1 8.00 0.03 . 1 . . . . . 14 LEU H . 27111 1 40 . 1 1 18 18 LEU C C 13 177.43 0.1 . 1 . . . . . 14 LEU C . 27111 1 41 . 1 1 18 18 LEU CA C 13 56.00 0.5 . 1 . . . . . 14 LEU CA . 27111 1 42 . 1 1 18 18 LEU N N 15 121.78 0.25 . 1 . . . . . 14 LEU N . 27111 1 43 . 1 1 19 19 TYR H H 1 7.96 0.03 . 1 . . . . . 15 TYR H . 27111 1 44 . 1 1 19 19 TYR C C 13 176.00 0.1 . 1 . . . . . 15 TYR C . 27111 1 45 . 1 1 19 19 TYR CA C 13 58.59 0.5 . 1 . . . . . 15 TYR CA . 27111 1 46 . 1 1 19 19 TYR N N 15 119.16 0.25 . 1 . . . . . 15 TYR N . 27111 1 47 . 1 1 20 20 PHE H H 1 7.88 0.03 . 1 . . . . . 16 PHE H . 27111 1 48 . 1 1 20 20 PHE C C 13 175.81 0.1 . 1 . . . . . 16 PHE C . 27111 1 49 . 1 1 20 20 PHE CA C 13 58.22 0.5 . 1 . . . . . 16 PHE CA . 27111 1 50 . 1 1 20 20 PHE N N 15 119.78 0.25 . 1 . . . . . 16 PHE N . 27111 1 51 . 1 1 21 21 GLN H H 1 8.11 0.03 . 1 . . . . . 17 GLN H . 27111 1 52 . 1 1 21 21 GLN C C 13 176.28 0.1 . 1 . . . . . 17 GLN C . 27111 1 53 . 1 1 21 21 GLN CA C 13 56.43 0.5 . 1 . . . . . 17 GLN CA . 27111 1 54 . 1 1 21 21 GLN N N 15 120.80 0.25 . 1 . . . . . 17 GLN N . 27111 1 55 . 1 1 22 22 SER C C 13 174.58 0.1 . 1 . . . . . 18 SER C . 27111 1 56 . 1 1 22 22 SER CA C 13 58.99 0.5 . 1 . . . . . 18 SER CA . 27111 1 57 . 1 1 23 23 ASN H H 1 8.19 0.03 . 1 . . . . . 19 ASN H . 27111 1 58 . 1 1 23 23 ASN C C 13 175.28 0.1 . 1 . . . . . 19 ASN C . 27111 1 59 . 1 1 23 23 ASN CA C 13 53.46 0.5 . 1 . . . . . 19 ASN CA . 27111 1 60 . 1 1 23 23 ASN N N 15 119.93 0.25 . 1 . . . . . 19 ASN N . 27111 1 61 . 1 1 24 24 ALA H H 1 8.21 0.03 . 1 . . . . . 20 ALA H . 27111 1 62 . 1 1 24 24 ALA C C 13 178.07 0.1 . 1 . . . . . 20 ALA C . 27111 1 63 . 1 1 24 24 ALA CA C 13 54.02 0.5 . 1 . . . . . 20 ALA CA . 27111 1 64 . 1 1 24 24 ALA N N 15 124.18 0.25 . 1 . . . . . 20 ALA N . 27111 1 65 . 1 1 25 25 GLY H H 1 8.85 0.03 . 1 . . . . . 21 GLY H . 27111 1 66 . 1 1 25 25 GLY C C 13 172.74 0.1 . 1 . . . . . 21 GLY C . 27111 1 67 . 1 1 25 25 GLY CA C 13 45.25 0.5 . 1 . . . . . 21 GLY CA . 27111 1 68 . 1 1 25 25 GLY N N 15 106.27 0.25 . 1 . . . . . 21 GLY N . 27111 1 69 . 1 1 26 26 LYS H H 1 7.67 0.03 . 1 . . . . . 22 LYS H . 27111 1 70 . 1 1 26 26 LYS C C 13 175.71 0.1 . 1 . . . . . 22 LYS C . 27111 1 71 . 1 1 26 26 LYS CA C 13 56.39 0.5 . 1 . . . . . 22 LYS CA . 27111 1 72 . 1 1 26 26 LYS N N 15 121.31 0.25 . 1 . . . . . 22 LYS N . 27111 1 73 . 1 1 27 27 MET H H 1 9.54 0.03 . 1 . . . . . 23 MET H . 27111 1 74 . 1 1 27 27 MET C C 13 174.53 0.1 . 1 . . . . . 23 MET C . 27111 1 75 . 1 1 27 27 MET CA C 13 55.50 0.5 . 1 . . . . . 23 MET CA . 27111 1 76 . 1 1 27 27 MET N N 15 123.59 0.25 . 1 . . . . . 23 MET N . 27111 1 77 . 1 1 28 28 PHE H H 1 8.80 0.03 . 1 . . . . . 24 PHE H . 27111 1 78 . 1 1 28 28 PHE C C 13 173.51 0.1 . 1 . . . . . 24 PHE C . 27111 1 79 . 1 1 28 28 PHE CA C 13 55.26 0.5 . 1 . . . . . 24 PHE CA . 27111 1 80 . 1 1 28 28 PHE N N 15 124.50 0.25 . 1 . . . . . 24 PHE N . 27111 1 81 . 1 1 29 29 ILE H H 1 8.37 0.03 . 1 . . . . . 25 ILE H . 27111 1 82 . 1 1 29 29 ILE C C 13 174.00 0.1 . 1 . . . . . 25 ILE C . 27111 1 83 . 1 1 29 29 ILE CA C 13 58.89 0.5 . 1 . . . . . 25 ILE CA . 27111 1 84 . 1 1 29 29 ILE N N 15 126.31 0.25 . 1 . . . . . 25 ILE N . 27111 1 85 . 1 1 30 30 GLY H H 1 7.77 0.03 . 1 . . . . . 26 GLY H . 27111 1 86 . 1 1 30 30 GLY C C 13 174.38 0.1 . 1 . . . . . 26 GLY C . 27111 1 87 . 1 1 30 30 GLY CA C 13 43.83 0.5 . 1 . . . . . 26 GLY CA . 27111 1 88 . 1 1 30 30 GLY N N 15 112.65 0.25 . 1 . . . . . 26 GLY N . 27111 1 89 . 1 1 31 31 GLY H H 1 8.57 0.03 . 1 . . . . . 27 GLY H . 27111 1 90 . 1 1 31 31 GLY C C 13 174.81 0.1 . 1 . . . . . 27 GLY C . 27111 1 91 . 1 1 31 31 GLY CA C 13 46.65 0.5 . 1 . . . . . 27 GLY CA . 27111 1 92 . 1 1 31 31 GLY N N 15 107.36 0.25 . 1 . . . . . 27 GLY N . 27111 1 93 . 1 1 32 32 LEU H H 1 7.53 0.03 . 1 . . . . . 28 LEU H . 27111 1 94 . 1 1 32 32 LEU C C 13 178.92 0.1 . 1 . . . . . 28 LEU C . 27111 1 95 . 1 1 32 32 LEU CA C 13 54.23 0.5 . 1 . . . . . 28 LEU CA . 27111 1 96 . 1 1 32 32 LEU N N 15 114.44 0.25 . 1 . . . . . 28 LEU N . 27111 1 97 . 1 1 33 33 SER H H 1 9.18 0.03 . 1 . . . . . 29 SER H . 27111 1 98 . 1 1 33 33 SER C C 13 177.41 0.1 . 1 . . . . . 29 SER C . 27111 1 99 . 1 1 33 33 SER CA C 13 57.81 0.5 . 1 . . . . . 29 SER CA . 27111 1 100 . 1 1 33 33 SER N N 15 115.83 0.25 . 1 . . . . . 29 SER N . 27111 1 101 . 1 1 34 34 TRP H H 1 8.50 0.03 . 1 . . . . . 30 TRP H . 27111 1 102 . 1 1 34 34 TRP C C 13 176.32 0.1 . 1 . . . . . 30 TRP C . 27111 1 103 . 1 1 34 34 TRP CA C 13 59.10 0.5 . 1 . . . . . 30 TRP CA . 27111 1 104 . 1 1 34 34 TRP N N 15 128.47 0.25 . 1 . . . . . 30 TRP N . 27111 1 105 . 1 1 35 35 GLN H H 1 7.73 0.03 . 1 . . . . . 31 GLN H . 27111 1 106 . 1 1 35 35 GLN C C 13 176.79 0.1 . 1 . . . . . 31 GLN C . 27111 1 107 . 1 1 35 35 GLN CA C 13 56.07 0.5 . 1 . . . . . 31 GLN CA . 27111 1 108 . 1 1 35 35 GLN N N 15 116.42 0.25 . 1 . . . . . 31 GLN N . 27111 1 109 . 1 1 36 36 THR H H 1 7.38 0.03 . 1 . . . . . 32 THR H . 27111 1 110 . 1 1 36 36 THR C C 13 173.28 0.1 . 1 . . . . . 32 THR C . 27111 1 111 . 1 1 36 36 THR CA C 13 64.94 0.5 . 1 . . . . . 32 THR CA . 27111 1 112 . 1 1 36 36 THR N N 15 118.99 0.25 . 1 . . . . . 32 THR N . 27111 1 113 . 1 1 37 37 SER H H 1 8.33 0.03 . 1 . . . . . 33 SER H . 27111 1 114 . 1 1 37 37 SER C C 13 176.40 0.1 . 1 . . . . . 33 SER C . 27111 1 115 . 1 1 37 37 SER CA C 13 56.56 0.5 . 1 . . . . . 33 SER CA . 27111 1 116 . 1 1 37 37 SER N N 15 125.43 0.25 . 1 . . . . . 33 SER N . 27111 1 117 . 1 1 38 38 PRO C C 13 177.66 0.1 . 1 . . . . . 34 PRO C . 27111 1 118 . 1 1 38 38 PRO CA C 13 65.86 0.5 . 1 . . . . . 34 PRO CA . 27111 1 119 . 1 1 39 39 ASP H H 1 7.83 0.03 . 1 . . . . . 35 ASP H . 27111 1 120 . 1 1 39 39 ASP C C 13 177.68 0.1 . 1 . . . . . 35 ASP C . 27111 1 121 . 1 1 39 39 ASP CA C 13 57.40 0.5 . 1 . . . . . 35 ASP CA . 27111 1 122 . 1 1 39 39 ASP N N 15 115.67 0.25 . 1 . . . . . 35 ASP N . 27111 1 123 . 1 1 40 40 SER H H 1 7.98 0.03 . 1 . . . . . 36 SER H . 27111 1 124 . 1 1 40 40 SER C C 13 177.68 0.1 . 1 . . . . . 36 SER C . 27111 1 125 . 1 1 40 40 SER CA C 13 61.14 0.5 . 1 . . . . . 36 SER CA . 27111 1 126 . 1 1 40 40 SER N N 15 117.72 0.25 . 1 . . . . . 36 SER N . 27111 1 127 . 1 1 41 41 LEU H H 1 8.05 0.03 . 1 . . . . . 37 LEU H . 27111 1 128 . 1 1 41 41 LEU C C 13 177.88 0.1 . 1 . . . . . 37 LEU C . 27111 1 129 . 1 1 41 41 LEU CA C 13 58.21 0.5 . 1 . . . . . 37 LEU CA . 27111 1 130 . 1 1 41 41 LEU N N 15 122.91 0.25 . 1 . . . . . 37 LEU N . 27111 1 131 . 1 1 42 42 ARG H H 1 8.43 0.03 . 1 . . . . . 38 ARG H . 27111 1 132 . 1 1 42 42 ARG C C 13 178.94 0.1 . 1 . . . . . 38 ARG C . 27111 1 133 . 1 1 42 42 ARG CA C 13 59.78 0.5 . 1 . . . . . 38 ARG CA . 27111 1 134 . 1 1 42 42 ARG N N 15 120.40 0.25 . 1 . . . . . 38 ARG N . 27111 1 135 . 1 1 43 43 ASP H H 1 8.44 0.03 . 1 . . . . . 39 ASP H . 27111 1 136 . 1 1 43 43 ASP C C 13 178.41 0.1 . 1 . . . . . 39 ASP C . 27111 1 137 . 1 1 43 43 ASP CA C 13 57.65 0.5 . 1 . . . . . 39 ASP CA . 27111 1 138 . 1 1 43 43 ASP N N 15 120.12 0.25 . 1 . . . . . 39 ASP N . 27111 1 139 . 1 1 44 44 TYR H H 1 7.82 0.03 . 1 . . . . . 40 TYR H . 27111 1 140 . 1 1 44 44 TYR C C 13 177.72 0.1 . 1 . . . . . 40 TYR C . 27111 1 141 . 1 1 44 44 TYR CA C 13 62.06 0.5 . 1 . . . . . 40 TYR CA . 27111 1 142 . 1 1 44 44 TYR N N 15 118.55 0.25 . 1 . . . . . 40 TYR N . 27111 1 143 . 1 1 45 45 PHE H H 1 8.50 0.03 . 1 . . . . . 41 PHE H . 27111 1 144 . 1 1 45 45 PHE C C 13 177.80 0.1 . 1 . . . . . 41 PHE C . 27111 1 145 . 1 1 45 45 PHE CA C 13 63.48 0.5 . 1 . . . . . 41 PHE CA . 27111 1 146 . 1 1 45 45 PHE N N 15 113.54 0.25 . 1 . . . . . 41 PHE N . 27111 1 147 . 1 1 46 46 SER H H 1 8.71 0.03 . 1 . . . . . 42 SER H . 27111 1 148 . 1 1 46 46 SER C C 13 175.78 0.1 . 1 . . . . . 42 SER C . 27111 1 149 . 1 1 46 46 SER CA C 13 61.32 0.5 . 1 . . . . . 42 SER CA . 27111 1 150 . 1 1 46 46 SER N N 15 117.43 0.25 . 1 . . . . . 42 SER N . 27111 1 151 . 1 1 47 47 LYS H H 1 7.11 0.03 . 1 . . . . . 43 LYS H . 27111 1 152 . 1 1 47 47 LYS C C 13 177.32 0.1 . 1 . . . . . 43 LYS C . 27111 1 153 . 1 1 47 47 LYS CA C 13 58.01 0.5 . 1 . . . . . 43 LYS CA . 27111 1 154 . 1 1 47 47 LYS N N 15 119.99 0.25 . 1 . . . . . 43 LYS N . 27111 1 155 . 1 1 48 48 PHE H H 1 8.05 0.03 . 1 . . . . . 44 PHE H . 27111 1 156 . 1 1 48 48 PHE C C 13 174.83 0.1 . 1 . . . . . 44 PHE C . 27111 1 157 . 1 1 48 48 PHE CA C 13 58.40 0.5 . 1 . . . . . 44 PHE CA . 27111 1 158 . 1 1 48 48 PHE N N 15 116.36 0.25 . 1 . . . . . 44 PHE N . 27111 1 159 . 1 1 49 49 GLY H H 1 7.45 0.03 . 1 . . . . . 45 GLY H . 27111 1 160 . 1 1 49 49 GLY C C 13 170.51 0.1 . 1 . . . . . 45 GLY C . 27111 1 161 . 1 1 49 49 GLY CA C 13 44.69 0.5 . 1 . . . . . 45 GLY CA . 27111 1 162 . 1 1 49 49 GLY N N 15 106.73 0.25 . 1 . . . . . 45 GLY N . 27111 1 163 . 1 1 50 50 GLU H H 1 8.06 0.03 . 1 . . . . . 46 GLU H . 27111 1 164 . 1 1 50 50 GLU C C 13 177.67 0.1 . 1 . . . . . 46 GLU C . 27111 1 165 . 1 1 50 50 GLU CA C 13 57.06 0.5 . 1 . . . . . 46 GLU CA . 27111 1 166 . 1 1 50 50 GLU N N 15 117.25 0.25 . 1 . . . . . 46 GLU N . 27111 1 167 . 1 1 51 51 ILE H H 1 9.12 0.03 . 1 . . . . . 47 ILE H . 27111 1 168 . 1 1 51 51 ILE C C 13 175.84 0.1 . 1 . . . . . 47 ILE C . 27111 1 169 . 1 1 51 51 ILE CA C 13 60.60 0.5 . 1 . . . . . 47 ILE CA . 27111 1 170 . 1 1 51 51 ILE N N 15 128.72 0.25 . 1 . . . . . 47 ILE N . 27111 1 171 . 1 1 52 52 ARG H H 1 9.02 0.03 . 1 . . . . . 48 ARG H . 27111 1 172 . 1 1 52 52 ARG C C 13 175.74 0.1 . 1 . . . . . 48 ARG C . 27111 1 173 . 1 1 52 52 ARG CA C 13 56.81 0.5 . 1 . . . . . 48 ARG CA . 27111 1 174 . 1 1 52 52 ARG N N 15 126.51 0.25 . 1 . . . . . 48 ARG N . 27111 1 175 . 1 1 53 53 GLU H H 1 7.46 0.03 . 1 . . . . . 49 GLU H . 27111 1 176 . 1 1 53 53 GLU C C 13 174.06 0.1 . 1 . . . . . 49 GLU C . 27111 1 177 . 1 1 53 53 GLU CA C 13 55.42 0.5 . 1 . . . . . 49 GLU CA . 27111 1 178 . 1 1 53 53 GLU N N 15 116.12 0.25 . 1 . . . . . 49 GLU N . 27111 1 179 . 1 1 54 54 CYS H H 1 8.77 0.03 . 1 . . . . . 50 CYS H . 27111 1 180 . 1 1 54 54 CYS C C 13 172.00 0.1 . 1 . . . . . 50 CYS C . 27111 1 181 . 1 1 54 54 CYS CA C 13 58.05 0.5 . 1 . . . . . 50 CYS CA . 27111 1 182 . 1 1 54 54 CYS N N 15 122.09 0.25 . 1 . . . . . 50 CYS N . 27111 1 183 . 1 1 55 55 MET H H 1 8.73 0.03 . 1 . . . . . 51 MET H . 27111 1 184 . 1 1 55 55 MET C C 13 173.45 0.1 . 1 . . . . . 51 MET C . 27111 1 185 . 1 1 55 55 MET CA C 13 54.66 0.5 . 1 . . . . . 51 MET CA . 27111 1 186 . 1 1 55 55 MET N N 15 122.75 0.25 . 1 . . . . . 51 MET N . 27111 1 187 . 1 1 56 56 VAL H H 1 8.28 0.03 . 1 . . . . . 52 VAL H . 27111 1 188 . 1 1 56 56 VAL C C 13 175.23 0.1 . 1 . . . . . 52 VAL C . 27111 1 189 . 1 1 56 56 VAL CA C 13 62.35 0.5 . 1 . . . . . 52 VAL CA . 27111 1 190 . 1 1 56 56 VAL N N 15 121.15 0.25 . 1 . . . . . 52 VAL N . 27111 1 191 . 1 1 57 57 MET H H 1 8.28 0.03 . 1 . . . . . 53 MET H . 27111 1 192 . 1 1 57 57 MET C C 13 175.13 0.1 . 1 . . . . . 53 MET C . 27111 1 193 . 1 1 57 57 MET CA C 13 54.83 0.5 . 1 . . . . . 53 MET CA . 27111 1 194 . 1 1 57 57 MET N N 15 125.88 0.25 . 1 . . . . . 53 MET N . 27111 1 195 . 1 1 58 58 ARG H H 1 8.53 0.03 . 1 . . . . . 54 ARG H . 27111 1 196 . 1 1 58 58 ARG C C 13 175.68 0.1 . 1 . . . . . 54 ARG C . 27111 1 197 . 1 1 58 58 ARG CA C 13 54.33 0.5 . 1 . . . . . 54 ARG CA . 27111 1 198 . 1 1 58 58 ARG N N 15 121.68 0.25 . 1 . . . . . 54 ARG N . 27111 1 199 . 1 1 59 59 ASP H H 1 8.66 0.03 . 1 . . . . . 55 ASP H . 27111 1 200 . 1 1 59 59 ASP C C 13 175.95 0.1 . 1 . . . . . 55 ASP C . 27111 1 201 . 1 1 59 59 ASP CA C 13 51.99 0.5 . 1 . . . . . 55 ASP CA . 27111 1 202 . 1 1 59 59 ASP N N 15 125.06 0.25 . 1 . . . . . 55 ASP N . 27111 1 203 . 1 1 60 60 PRO C C 13 177.57 0.1 . 1 . . . . . 58 PRO C . 27111 1 204 . 1 1 60 60 PRO CA C 13 64.66 0.5 . 1 . . . . . 58 PRO CA . 27111 1 205 . 1 1 61 61 THR H H 1 8.42 0.03 . 1 . . . . . 57 THR H . 27111 1 206 . 1 1 61 61 THR C C 13 176.01 0.1 . 1 . . . . . 57 THR C . 27111 1 207 . 1 1 61 61 THR CA C 13 64.94 0.5 . 1 . . . . . 57 THR CA . 27111 1 208 . 1 1 61 61 THR N N 15 113.64 0.25 . 1 . . . . . 57 THR N . 27111 1 209 . 1 1 62 62 THR H H 1 8.19 0.03 . 1 . . . . . 58 THR H . 27111 1 210 . 1 1 62 62 THR C C 13 176.20 0.1 . 1 . . . . . 58 THR C . 27111 1 211 . 1 1 62 62 THR CA C 13 62.07 0.5 . 1 . . . . . 58 THR CA . 27111 1 212 . 1 1 62 62 THR N N 15 111.37 0.25 . 1 . . . . . 58 THR N . 27111 1 213 . 1 1 63 63 LYS H H 1 8.15 0.03 . 1 . . . . . 59 LYS H . 27111 1 214 . 1 1 63 63 LYS C C 13 175.39 0.1 . 1 . . . . . 59 LYS C . 27111 1 215 . 1 1 63 63 LYS CA C 13 57.81 0.5 . 1 . . . . . 59 LYS CA . 27111 1 216 . 1 1 63 63 LYS N N 15 115.43 0.25 . 1 . . . . . 59 LYS N . 27111 1 217 . 1 1 64 64 ARG H H 1 7.90 0.03 . 1 . . . . . 60 ARG H . 27111 1 218 . 1 1 64 64 ARG C C 13 175.56 0.1 . 1 . . . . . 60 ARG C . 27111 1 219 . 1 1 64 64 ARG CA C 13 55.99 0.5 . 1 . . . . . 60 ARG CA . 27111 1 220 . 1 1 64 64 ARG N N 15 119.77 0.25 . 1 . . . . . 60 ARG N . 27111 1 221 . 1 1 65 65 SER H H 1 8.92 0.03 . 1 . . . . . 61 SER H . 27111 1 222 . 1 1 65 65 SER C C 13 176.28 0.1 . 1 . . . . . 61 SER C . 27111 1 223 . 1 1 65 65 SER CA C 13 58.64 0.5 . 1 . . . . . 61 SER CA . 27111 1 224 . 1 1 65 65 SER N N 15 116.93 0.25 . 1 . . . . . 61 SER N . 27111 1 225 . 1 1 66 66 ARG H H 1 9.04 0.03 . 1 . . . . . 62 ARG H . 27111 1 226 . 1 1 66 66 ARG C C 13 177.24 0.1 . 1 . . . . . 62 ARG C . 27111 1 227 . 1 1 66 66 ARG CA C 13 56.11 0.5 . 1 . . . . . 62 ARG CA . 27111 1 228 . 1 1 66 66 ARG N N 15 124.31 0.25 . 1 . . . . . 62 ARG N . 27111 1 229 . 1 1 67 67 GLY H H 1 9.21 0.03 . 1 . . . . . 63 GLY H . 27111 1 230 . 1 1 67 67 GLY C C 13 172.09 0.1 . 1 . . . . . 63 GLY C . 27111 1 231 . 1 1 67 67 GLY CA C 13 45.61 0.5 . 1 . . . . . 63 GLY CA . 27111 1 232 . 1 1 67 67 GLY N N 15 107.25 0.25 . 1 . . . . . 63 GLY N . 27111 1 233 . 1 1 68 68 PHE H H 1 7.09 0.03 . 1 . . . . . 64 PHE H . 27111 1 234 . 1 1 68 68 PHE C C 13 172.81 0.1 . 1 . . . . . 64 PHE C . 27111 1 235 . 1 1 68 68 PHE CA C 13 54.96 0.5 . 1 . . . . . 64 PHE CA . 27111 1 236 . 1 1 68 68 PHE N N 15 112.46 0.25 . 1 . . . . . 64 PHE N . 27111 1 237 . 1 1 69 69 GLY H H 1 8.28 0.03 . 1 . . . . . 65 GLY H . 27111 1 238 . 1 1 69 69 GLY C C 13 169.99 0.1 . 1 . . . . . 65 GLY C . 27111 1 239 . 1 1 69 69 GLY CA C 13 45.00 0.5 . 1 . . . . . 65 GLY CA . 27111 1 240 . 1 1 69 69 GLY N N 15 106.56 0.25 . 1 . . . . . 65 GLY N . 27111 1 241 . 1 1 70 70 PHE H H 1 8.66 0.03 . 1 . . . . . 66 PHE H . 27111 1 242 . 1 1 70 70 PHE C C 13 174.37 0.1 . 1 . . . . . 66 PHE C . 27111 1 243 . 1 1 70 70 PHE CA C 13 56.67 0.5 . 1 . . . . . 66 PHE CA . 27111 1 244 . 1 1 70 70 PHE N N 15 115.05 0.25 . 1 . . . . . 66 PHE N . 27111 1 245 . 1 1 71 71 VAL H H 1 8.39 0.03 . 1 . . . . . 67 VAL H . 27111 1 246 . 1 1 71 71 VAL C C 13 173.58 0.1 . 1 . . . . . 67 VAL C . 27111 1 247 . 1 1 71 71 VAL CA C 13 60.37 0.5 . 1 . . . . . 67 VAL CA . 27111 1 248 . 1 1 71 71 VAL N N 15 118.88 0.25 . 1 . . . . . 67 VAL N . 27111 1 249 . 1 1 72 72 THR H H 1 8.70 0.03 . 1 . . . . . 68 THR H . 27111 1 250 . 1 1 72 72 THR C C 13 174.43 0.1 . 1 . . . . . 68 THR C . 27111 1 251 . 1 1 72 72 THR CA C 13 60.96 0.5 . 1 . . . . . 68 THR CA . 27111 1 252 . 1 1 72 72 THR N N 15 121.16 0.25 . 1 . . . . . 68 THR N . 27111 1 253 . 1 1 73 73 PHE H H 1 8.98 0.03 . 1 . . . . . 69 PHE H . 27111 1 254 . 1 1 73 73 PHE C C 13 175.20 0.1 . 1 . . . . . 69 PHE C . 27111 1 255 . 1 1 73 73 PHE CA C 13 58.76 0.5 . 1 . . . . . 69 PHE CA . 27111 1 256 . 1 1 73 73 PHE N N 15 127.95 0.25 . 1 . . . . . 69 PHE N . 27111 1 257 . 1 1 74 74 ALA H H 1 8.36 0.03 . 1 . . . . . 70 ALA H . 27111 1 258 . 1 1 74 74 ALA C C 13 176.36 0.1 . 1 . . . . . 70 ALA C . 27111 1 259 . 1 1 74 74 ALA CA C 13 54.38 0.5 . 1 . . . . . 70 ALA CA . 27111 1 260 . 1 1 74 74 ALA N N 15 122.28 0.25 . 1 . . . . . 70 ALA N . 27111 1 261 . 1 1 75 75 ASP H H 1 8.90 0.03 . 1 . . . . . 71 ASP H . 27111 1 262 . 1 1 75 75 ASP C C 13 175.54 0.1 . 1 . . . . . 71 ASP C . 27111 1 263 . 1 1 75 75 ASP CA C 13 49.67 0.5 . 1 . . . . . 71 ASP CA . 27111 1 264 . 1 1 75 75 ASP N N 15 117.23 0.25 . 1 . . . . . 71 ASP N . 27111 1 265 . 1 1 76 76 PRO C C 13 178.02 0.1 . 1 . . . . . 72 PRO C . 27111 1 266 . 1 1 76 76 PRO CA C 13 64.91 0.5 . 1 . . . . . 72 PRO CA . 27111 1 267 . 1 1 77 77 ALA H H 1 8.66 0.03 . 1 . . . . . 73 ALA H . 27111 1 268 . 1 1 77 77 ALA C C 13 180.73 0.1 . 1 . . . . . 73 ALA C . 27111 1 269 . 1 1 77 77 ALA CA C 13 54.60 0.5 . 1 . . . . . 73 ALA CA . 27111 1 270 . 1 1 77 77 ALA N N 15 121.49 0.25 . 1 . . . . . 73 ALA N . 27111 1 271 . 1 1 78 78 SER H H 1 8.43 0.03 . 1 . . . . . 74 SER H . 27111 1 272 . 1 1 78 78 SER C C 13 175.14 0.1 . 1 . . . . . 74 SER C . 27111 1 273 . 1 1 78 78 SER CA C 13 62.50 0.5 . 1 . . . . . 74 SER CA . 27111 1 274 . 1 1 78 78 SER N N 15 115.32 0.25 . 1 . . . . . 74 SER N . 27111 1 275 . 1 1 79 79 VAL H H 1 7.31 0.03 . 1 . . . . . 75 VAL H . 27111 1 276 . 1 1 79 79 VAL C C 13 177.52 0.1 . 1 . . . . . 75 VAL C . 27111 1 277 . 1 1 79 79 VAL CA C 13 65.53 0.5 . 1 . . . . . 75 VAL CA . 27111 1 278 . 1 1 79 79 VAL N N 15 119.60 0.25 . 1 . . . . . 75 VAL N . 27111 1 279 . 1 1 80 80 ASP H H 1 6.97 0.03 . 1 . . . . . 76 ASP H . 27111 1 280 . 1 1 80 80 ASP C C 13 179.41 0.1 . 1 . . . . . 76 ASP C . 27111 1 281 . 1 1 80 80 ASP CA C 13 57.32 0.5 . 1 . . . . . 76 ASP CA . 27111 1 282 . 1 1 80 80 ASP N N 15 116.89 0.25 . 1 . . . . . 76 ASP N . 27111 1 283 . 1 1 81 81 LYS H H 1 7.23 0.03 . 1 . . . . . 77 LYS H . 27111 1 284 . 1 1 81 81 LYS C C 13 179.09 0.1 . 1 . . . . . 77 LYS C . 27111 1 285 . 1 1 81 81 LYS CA C 13 59.33 0.5 . 1 . . . . . 77 LYS CA . 27111 1 286 . 1 1 81 81 LYS N N 15 119.05 0.25 . 1 . . . . . 77 LYS N . 27111 1 287 . 1 1 82 82 VAL H H 1 7.49 0.03 . 1 . . . . . 78 VAL H . 27111 1 288 . 1 1 82 82 VAL C C 13 179.00 0.1 . 1 . . . . . 78 VAL C . 27111 1 289 . 1 1 82 82 VAL CA C 13 66.87 0.5 . 1 . . . . . 78 VAL CA . 27111 1 290 . 1 1 82 82 VAL N N 15 120.02 0.25 . 1 . . . . . 78 VAL N . 27111 1 291 . 1 1 83 83 LEU H H 1 8.05 0.03 . 1 . . . . . 79 LEU H . 27111 1 292 . 1 1 83 83 LEU C C 13 178.42 0.1 . 1 . . . . . 79 LEU C . 27111 1 293 . 1 1 83 83 LEU CA C 13 56.40 0.5 . 1 . . . . . 79 LEU CA . 27111 1 294 . 1 1 83 83 LEU N N 15 116.41 0.25 . 1 . . . . . 79 LEU N . 27111 1 295 . 1 1 84 84 GLY H H 1 7.64 0.03 . 1 . . . . . 80 GLY H . 27111 1 296 . 1 1 84 84 GLY C C 13 173.15 0.1 . 1 . . . . . 80 GLY C . 27111 1 297 . 1 1 84 84 GLY CA C 13 45.26 0.5 . 1 . . . . . 80 GLY CA . 27111 1 298 . 1 1 84 84 GLY N N 15 105.34 0.25 . 1 . . . . . 80 GLY N . 27111 1 299 . 1 1 85 85 GLN H H 1 7.41 0.03 . 1 . . . . . 81 GLN H . 27111 1 300 . 1 1 85 85 GLN C C 13 174.25 0.1 . 1 . . . . . 81 GLN C . 27111 1 301 . 1 1 85 85 GLN CA C 13 52.19 0.5 . 1 . . . . . 81 GLN CA . 27111 1 302 . 1 1 85 85 GLN N N 15 123.05 0.25 . 1 . . . . . 81 GLN N . 27111 1 303 . 1 1 86 86 PRO C C 13 176.37 0.1 . 1 . . . . . 82 PRO C . 27111 1 304 . 1 1 86 86 PRO CA C 13 64.88 0.5 . 1 . . . . . 82 PRO CA . 27111 1 305 . 1 1 87 87 HIS H H 1 7.52 0.03 . 1 . . . . . 83 HIS H . 27111 1 306 . 1 1 87 87 HIS C C 13 172.34 0.1 . 1 . . . . . 83 HIS C . 27111 1 307 . 1 1 87 87 HIS CA C 13 55.59 0.5 . 1 . . . . . 83 HIS CA . 27111 1 308 . 1 1 87 87 HIS N N 15 114.95 0.25 . 1 . . . . . 83 HIS N . 27111 1 309 . 1 1 88 88 HIS H H 1 9.03 0.03 . 1 . . . . . 84 HIS H . 27111 1 310 . 1 1 88 88 HIS C C 13 173.26 0.1 . 1 . . . . . 84 HIS C . 27111 1 311 . 1 1 88 88 HIS CA C 13 55.90 0.5 . 1 . . . . . 84 HIS CA . 27111 1 312 . 1 1 88 88 HIS N N 15 125.99 0.25 . 1 . . . . . 84 HIS N . 27111 1 313 . 1 1 89 89 GLU H H 1 7.99 0.03 . 1 . . . . . 85 GLU H . 27111 1 314 . 1 1 89 89 GLU C C 13 173.04 0.1 . 1 . . . . . 85 GLU C . 27111 1 315 . 1 1 89 89 GLU CA C 13 54.28 0.5 . 1 . . . . . 85 GLU CA . 27111 1 316 . 1 1 89 89 GLU N N 15 122.01 0.25 . 1 . . . . . 85 GLU N . 27111 1 317 . 1 1 90 90 LEU H H 1 8.57 0.03 . 1 . . . . . 86 LEU H . 27111 1 318 . 1 1 90 90 LEU C C 13 176.23 0.1 . 1 . . . . . 86 LEU C . 27111 1 319 . 1 1 90 90 LEU CA C 13 54.26 0.5 . 1 . . . . . 86 LEU CA . 27111 1 320 . 1 1 90 90 LEU N N 15 123.49 0.25 . 1 . . . . . 86 LEU N . 27111 1 321 . 1 1 91 91 ASP H H 1 9.56 0.03 . 1 . . . . . 87 ASP H . 27111 1 322 . 1 1 91 91 ASP C C 13 175.00 0.1 . 1 . . . . . 87 ASP C . 27111 1 323 . 1 1 91 91 ASP CA C 13 56.17 0.5 . 1 . . . . . 87 ASP CA . 27111 1 324 . 1 1 91 91 ASP N N 15 128.21 0.25 . 1 . . . . . 87 ASP N . 27111 1 325 . 1 1 92 92 SER H H 1 8.69 0.03 . 1 . . . . . 88 SER H . 27111 1 326 . 1 1 92 92 SER C C 13 172.95 0.1 . 1 . . . . . 88 SER C . 27111 1 327 . 1 1 92 92 SER CA C 13 59.92 0.5 . 1 . . . . . 88 SER CA . 27111 1 328 . 1 1 92 92 SER N N 15 105.50 0.25 . 1 . . . . . 88 SER N . 27111 1 329 . 1 1 93 93 LYS H H 1 7.49 0.03 . 1 . . . . . 89 LYS H . 27111 1 330 . 1 1 93 93 LYS C C 13 175.14 0.1 . 1 . . . . . 89 LYS C . 27111 1 331 . 1 1 93 93 LYS CA C 13 53.55 0.5 . 1 . . . . . 89 LYS CA . 27111 1 332 . 1 1 93 93 LYS N N 15 120.86 0.25 . 1 . . . . . 89 LYS N . 27111 1 333 . 1 1 94 94 THR H H 1 8.57 0.03 . 1 . . . . . 90 THR H . 27111 1 334 . 1 1 94 94 THR C C 13 174.66 0.1 . 1 . . . . . 90 THR C . 27111 1 335 . 1 1 94 94 THR CA C 13 63.73 0.5 . 1 . . . . . 90 THR CA . 27111 1 336 . 1 1 94 94 THR N N 15 121.17 0.25 . 1 . . . . . 90 THR N . 27111 1 337 . 1 1 95 95 ILE H H 1 8.01 0.03 . 1 . . . . . 91 ILE H . 27111 1 338 . 1 1 95 95 ILE C C 13 174.66 0.1 . 1 . . . . . 91 ILE C . 27111 1 339 . 1 1 95 95 ILE CA C 13 60.45 0.5 . 1 . . . . . 91 ILE CA . 27111 1 340 . 1 1 95 95 ILE N N 15 121.81 0.25 . 1 . . . . . 91 ILE N . 27111 1 341 . 1 1 96 96 ASP H H 1 8.37 0.03 . 1 . . . . . 92 ASP H . 27111 1 342 . 1 1 96 96 ASP C C 13 173.14 0.1 . 1 . . . . . 92 ASP C . 27111 1 343 . 1 1 96 96 ASP CA C 13 51.35 0.5 . 1 . . . . . 92 ASP CA . 27111 1 344 . 1 1 96 96 ASP N N 15 117.83 0.25 . 1 . . . . . 92 ASP N . 27111 1 345 . 1 1 97 97 PRO C C 13 175.87 0.1 . 1 . . . . . 93 PRO C . 27111 1 346 . 1 1 97 97 PRO CA C 13 61.65 0.5 . 1 . . . . . 93 PRO CA . 27111 1 347 . 1 1 98 98 LYS H H 1 9.50 0.03 . 1 . . . . . 94 LYS H . 27111 1 348 . 1 1 98 98 LYS C C 13 175.90 0.1 . 1 . . . . . 94 LYS C . 27111 1 349 . 1 1 98 98 LYS CA C 13 54.64 0.5 . 1 . . . . . 94 LYS CA . 27111 1 350 . 1 1 98 98 LYS N N 15 121.79 0.25 . 1 . . . . . 94 LYS N . 27111 1 351 . 1 1 99 99 VAL H H 1 8.65 0.03 . 1 . . . . . 95 VAL H . 27111 1 352 . 1 1 99 99 VAL C C 13 175.66 0.1 . 1 . . . . . 95 VAL C . 27111 1 353 . 1 1 99 99 VAL CA C 13 63.98 0.5 . 1 . . . . . 95 VAL CA . 27111 1 354 . 1 1 99 99 VAL N N 15 119.40 0.25 . 1 . . . . . 95 VAL N . 27111 1 355 . 1 1 100 100 ALA H H 1 8.01 0.03 . 1 . . . . . 96 ALA H . 27111 1 356 . 1 1 100 100 ALA C C 13 176.13 0.1 . 1 . . . . . 96 ALA C . 27111 1 357 . 1 1 100 100 ALA CA C 13 52.86 0.5 . 1 . . . . . 96 ALA CA . 27111 1 358 . 1 1 100 100 ALA N N 15 126.34 0.25 . 1 . . . . . 96 ALA N . 27111 1 359 . 1 1 101 101 PHE H H 1 8.12 0.03 . 1 . . . . . 97 PHE H . 27111 1 360 . 1 1 101 101 PHE C C 13 173.15 0.1 . 1 . . . . . 97 PHE C . 27111 1 361 . 1 1 101 101 PHE CA C 13 55.08 0.5 . 1 . . . . . 97 PHE CA . 27111 1 362 . 1 1 101 101 PHE N N 15 118.54 0.25 . 1 . . . . . 97 PHE N . 27111 1 363 . 1 1 102 102 PRO C C 13 175.93 0.1 . 1 . . . . . 98 PRO C . 27111 1 364 . 1 1 102 102 PRO CA C 13 63.13 0.5 . 1 . . . . . 98 PRO CA . 27111 1 365 . 1 1 103 103 ARG H H 1 8.39 0.03 . 1 . . . . . 99 ARG H . 27111 1 366 . 1 1 103 103 ARG C C 13 176.52 0.1 . 1 . . . . . 99 ARG C . 27111 1 367 . 1 1 103 103 ARG CA C 13 56.43 0.5 . 1 . . . . . 99 ARG CA . 27111 1 368 . 1 1 103 103 ARG N N 15 121.61 0.25 . 1 . . . . . 99 ARG N . 27111 1 369 . 1 1 104 104 ARG H H 1 8.34 0.03 . 1 . . . . . 100 ARG H . 27111 1 370 . 1 1 104 104 ARG C C 13 175.71 0.1 . 1 . . . . . 100 ARG C . 27111 1 371 . 1 1 104 104 ARG CA C 13 55.91 0.5 . 1 . . . . . 100 ARG CA . 27111 1 372 . 1 1 104 104 ARG N N 15 122.30 0.25 . 1 . . . . . 100 ARG N . 27111 1 373 . 1 1 105 105 ALA H H 1 8.35 0.03 . 1 . . . . . 101 ALA H . 27111 1 374 . 1 1 105 105 ALA C C 13 177.19 0.1 . 1 . . . . . 101 ALA C . 27111 1 375 . 1 1 105 105 ALA CA C 13 52.24 0.5 . 1 . . . . . 101 ALA CA . 27111 1 376 . 1 1 105 105 ALA N N 15 125.64 0.25 . 1 . . . . . 101 ALA N . 27111 1 377 . 1 1 106 106 GLN H H 1 8.35 0.03 . 1 . . . . . 102 GLN H . 27111 1 378 . 1 1 106 106 GLN C C 13 173.96 0.1 . 1 . . . . . 102 GLN C . 27111 1 379 . 1 1 106 106 GLN CA C 13 53.71 0.5 . 1 . . . . . 102 GLN CA . 27111 1 380 . 1 1 106 106 GLN N N 15 121.08 0.25 . 1 . . . . . 102 GLN N . 27111 1 381 . 1 1 107 107 PRO C C 13 175.37 0.1 . 1 . . . . . 103 PRO C . 27111 1 382 . 1 1 107 107 PRO CA C 13 63.23 0.5 . 1 . . . . . 103 PRO CA . 27111 1 383 . 1 1 108 108 LYS H H 1 8.31 0.03 . 1 . . . . . 104 LYS H . 27111 1 384 . 1 1 108 108 LYS C C 13 176.44 0.1 . 1 . . . . . 104 LYS C . 27111 1 385 . 1 1 108 108 LYS CA C 13 56.39 0.5 . 1 . . . . . 104 LYS CA . 27111 1 386 . 1 1 108 108 LYS N N 15 123.55 0.25 . 1 . . . . . 104 LYS N . 27111 1 387 . 1 1 109 109 MET H H 1 8.39 0.03 . 1 . . . . . 105 MET H . 27111 1 388 . 1 1 109 109 MET C C 13 175.94 0.1 . 1 . . . . . 105 MET C . 27111 1 389 . 1 1 109 109 MET CA C 13 55.36 0.5 . 1 . . . . . 105 MET CA . 27111 1 390 . 1 1 109 109 MET N N 15 122.23 0.25 . 1 . . . . . 105 MET N . 27111 1 391 . 1 1 110 110 VAL H H 1 8.25 0.03 . 1 . . . . . 106 VAL H . 27111 1 392 . 1 1 110 110 VAL C C 13 176.12 0.1 . 1 . . . . . 106 VAL C . 27111 1 393 . 1 1 110 110 VAL CA C 13 62.30 0.5 . 1 . . . . . 106 VAL CA . 27111 1 394 . 1 1 110 110 VAL N N 15 122.53 0.25 . 1 . . . . . 106 VAL N . 27111 1 395 . 1 1 111 111 THR H H 1 8.28 0.03 . 1 . . . . . 107 THR H . 27111 1 396 . 1 1 111 111 THR C C 13 174.24 0.1 . 1 . . . . . 107 THR C . 27111 1 397 . 1 1 111 111 THR CA C 13 62.00 0.5 . 1 . . . . . 107 THR CA . 27111 1 398 . 1 1 111 111 THR N N 15 119.12 0.25 . 1 . . . . . 107 THR N . 27111 1 399 . 1 1 112 112 ARG H H 1 8.45 0.03 . 1 . . . . . 108 ARG H . 27111 1 400 . 1 1 112 112 ARG C C 13 176.21 0.1 . 1 . . . . . 108 ARG C . 27111 1 401 . 1 1 112 112 ARG CA C 13 55.97 0.5 . 1 . . . . . 108 ARG CA . 27111 1 402 . 1 1 112 112 ARG N N 15 124.26 0.25 . 1 . . . . . 108 ARG N . 27111 1 403 . 1 1 113 113 THR H H 1 8.22 0.03 . 1 . . . . . 109 THR H . 27111 1 404 . 1 1 113 113 THR C C 13 174.17 0.1 . 1 . . . . . 109 THR C . 27111 1 405 . 1 1 113 113 THR CA C 13 62.00 0.5 . 1 . . . . . 109 THR CA . 27111 1 406 . 1 1 113 113 THR N N 15 116.33 0.25 . 1 . . . . . 109 THR N . 27111 1 407 . 1 1 114 114 LYS H H 1 8.33 0.03 . 1 . . . . . 110 LYS H . 27111 1 408 . 1 1 114 114 LYS C C 13 175.37 0.1 . 1 . . . . . 110 LYS C . 27111 1 409 . 1 1 114 114 LYS CA C 13 56.41 0.5 . 1 . . . . . 110 LYS CA . 27111 1 410 . 1 1 114 114 LYS N N 15 124.73 0.25 . 1 . . . . . 110 LYS N . 27111 1 411 . 1 1 115 115 LYS H H 1 8.03 0.03 . 1 . . . . . 111 LYS H . 27111 1 412 . 1 1 115 115 LYS C C 13 181.28 0.1 . 1 . . . . . 111 LYS C . 27111 1 413 . 1 1 115 115 LYS CA C 13 57.93 0.5 . 1 . . . . . 111 LYS CA . 27111 1 414 . 1 1 115 115 LYS N N 15 128.78 0.25 . 1 . . . . . 111 LYS N . 27111 1 stop_ save_