data_19298 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19298 _Entry.Title ; RBPMS2-Nter ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-06-12 _Entry.Accession_date 2013-06-12 _Entry.Last_release_date 2014-10-13 _Entry.Original_release_date 2014-10-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yinshan YANG . . . 19298 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 PSI:Biology 'not applicable' . 19298 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID RBPMS2 . 19298 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19298 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 256 19298 '15N chemical shifts' 85 19298 '1H chemical shifts' 182 19298 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 . . 2014-10-13 2013-06-12 original author . 19298 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2m9k 'BMRB Entry Tracking System' 19298 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19298 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25064856 _Citation.Full_citation . _Citation.Title 'Homodimerization of RBPMS2 through a new RRM-interaction motif is necessary to control smooth muscle plasticity' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 42 _Citation.Journal_issue 15 _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 10173 _Citation.Page_last 10184 _Citation.Year 2014 _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 Sebastien Sagnol . . . 19298 1 2 Yinshan Yang . . . 19298 1 3 Yannick Bessin . . . 19298 1 4 Frederic Allemand . . . 19298 1 5 Ilona Hapkova . . . 19298 1 6 Cecile Notarnicola . . . 19298 1 7 Jean-Francois Guichou . . . 19298 1 8 Sandrine Faure . . . 19298 1 9 Gilles Labesse . . . 19298 1 10 Pascal 'de Santa Barbara' . . . 19298 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19298 _Assembly.ID 1 _Assembly.Name RBPMS2-Nter _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RBPMS2-Nter, 1' 1 $entity A . yes native no no . . . 19298 1 2 'RBPMS2-Nter, 2' 1 $entity B . yes native no no . . . 19298 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19298 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MEEEVRTLFVSGLPVDIKPR ELYLLFRPFKGYEGSLIKLT ARQPVGFVIFDSRAGAEAAK NALNGIRFDPENPQTLRLEF AKANTKMAKSKLE ; _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 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10501.271 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2M9K . Rbpms2-nter . . . . . 100.00 93 100.00 100.00 1.03e-58 . . . . 19298 1 2 no DBJ BAB26834 . "unnamed protein product [Mus musculus]" . . . . . 98.92 168 97.83 100.00 2.99e-57 . . . . 19298 1 3 no DBJ BAC87172 . "unnamed protein product [Homo sapiens]" . . . . . 98.92 209 98.91 100.00 4.93e-57 . . . . 19298 1 4 no DBJ BAE25995 . "unnamed protein product [Mus musculus]" . . . . . 98.92 206 97.83 100.00 5.54e-57 . . . . 19298 1 5 no DBJ BAE33785 . "unnamed protein product [Mus musculus]" . . . . . 98.92 206 97.83 100.00 5.54e-57 . . . . 19298 1 6 no DBJ BAI47052 . "RNA binding protein with multiple splicing 2 [synthetic construct]" . . . . . 98.92 209 98.91 100.00 4.93e-57 . . . . 19298 1 7 no GB AAH21788 . "RNA binding protein with multiple splicing 2 [Mus musculus]" . . . . . 98.92 206 97.83 100.00 5.54e-57 . . . . 19298 1 8 no GB AAI69038 . "Rbpms2 protein [Rattus norvegicus]" . . . . . 98.92 210 97.83 100.00 1.05e-56 . . . . 19298 1 9 no GB AAI72373 . "RNA binding protein with multiple splicing 2 [synthetic construct]" . . . . . 98.92 209 98.91 100.00 4.93e-57 . . . . 19298 1 10 no GB AAQ73311 . "RNA-binding protein with multiple splicing 2 [Homo sapiens]" . . . . . 98.92 209 98.91 100.00 4.93e-57 . . . . 19298 1 11 no GB ABQ82149 . "RNA binding protein with multiple splicing 2, partial [Equus caballus]" . . . . . 90.32 177 97.62 100.00 5.40e-51 . . . . 19298 1 12 no REF NP_001166897 . "RNA-binding protein with multiple splicing 2 [Rattus norvegicus]" . . . . . 98.92 210 97.83 100.00 1.05e-56 . . . . 19298 1 13 no REF NP_082306 . "RNA-binding protein with multiple splicing 2 [Mus musculus]" . . . . . 98.92 206 97.83 100.00 5.54e-57 . . . . 19298 1 14 no REF NP_919248 . "RNA-binding protein with multiple splicing 2 [Homo sapiens]" . . . . . 98.92 209 98.91 100.00 4.93e-57 . . . . 19298 1 15 no REF XP_001174270 . "PREDICTED: RNA-binding protein with multiple splicing 2 isoform X1 [Pan troglodytes]" . . . . . 98.92 209 98.91 100.00 5.32e-57 . . . . 19298 1 16 no REF XP_002718127 . "PREDICTED: RNA-binding protein with multiple splicing 2 [Oryctolagus cuniculus]" . . . . . 98.92 210 97.83 100.00 6.52e-57 . . . . 19298 1 17 no SP Q6ZRY4 . "RecName: Full=RNA-binding protein with multiple splicing 2" . . . . . 98.92 209 98.91 100.00 4.93e-57 . . . . 19298 1 18 no SP Q8VC52 . "RecName: Full=RNA-binding protein with multiple splicing 2" . . . . . 98.92 206 97.83 100.00 5.54e-57 . . . . 19298 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 26 MET . 19298 1 2 27 GLU . 19298 1 3 28 GLU . 19298 1 4 29 GLU . 19298 1 5 30 VAL . 19298 1 6 31 ARG . 19298 1 7 32 THR . 19298 1 8 33 LEU . 19298 1 9 34 PHE . 19298 1 10 35 VAL . 19298 1 11 36 SER . 19298 1 12 37 GLY . 19298 1 13 38 LEU . 19298 1 14 39 PRO . 19298 1 15 40 VAL . 19298 1 16 41 ASP . 19298 1 17 42 ILE . 19298 1 18 43 LYS . 19298 1 19 44 PRO . 19298 1 20 45 ARG . 19298 1 21 46 GLU . 19298 1 22 47 LEU . 19298 1 23 48 TYR . 19298 1 24 49 LEU . 19298 1 25 50 LEU . 19298 1 26 51 PHE . 19298 1 27 52 ARG . 19298 1 28 53 PRO . 19298 1 29 54 PHE . 19298 1 30 55 LYS . 19298 1 31 56 GLY . 19298 1 32 57 TYR . 19298 1 33 58 GLU . 19298 1 34 59 GLY . 19298 1 35 60 SER . 19298 1 36 61 LEU . 19298 1 37 62 ILE . 19298 1 38 63 LYS . 19298 1 39 64 LEU . 19298 1 40 65 THR . 19298 1 41 66 ALA . 19298 1 42 67 ARG . 19298 1 43 68 GLN . 19298 1 44 69 PRO . 19298 1 45 70 VAL . 19298 1 46 71 GLY . 19298 1 47 72 PHE . 19298 1 48 73 VAL . 19298 1 49 74 ILE . 19298 1 50 75 PHE . 19298 1 51 76 ASP . 19298 1 52 77 SER . 19298 1 53 78 ARG . 19298 1 54 79 ALA . 19298 1 55 80 GLY . 19298 1 56 81 ALA . 19298 1 57 82 GLU . 19298 1 58 83 ALA . 19298 1 59 84 ALA . 19298 1 60 85 LYS . 19298 1 61 86 ASN . 19298 1 62 87 ALA . 19298 1 63 88 LEU . 19298 1 64 89 ASN . 19298 1 65 90 GLY . 19298 1 66 91 ILE . 19298 1 67 92 ARG . 19298 1 68 93 PHE . 19298 1 69 94 ASP . 19298 1 70 95 PRO . 19298 1 71 96 GLU . 19298 1 72 97 ASN . 19298 1 73 98 PRO . 19298 1 74 99 GLN . 19298 1 75 100 THR . 19298 1 76 101 LEU . 19298 1 77 102 ARG . 19298 1 78 103 LEU . 19298 1 79 104 GLU . 19298 1 80 105 PHE . 19298 1 81 106 ALA . 19298 1 82 107 LYS . 19298 1 83 108 ALA . 19298 1 84 109 ASN . 19298 1 85 110 THR . 19298 1 86 111 LYS . 19298 1 87 112 MET . 19298 1 88 113 ALA . 19298 1 89 114 LYS . 19298 1 90 115 SER . 19298 1 91 116 LYS . 19298 1 92 117 LEU . 19298 1 93 118 GLU . 19298 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 19298 1 . GLU 2 2 19298 1 . GLU 3 3 19298 1 . GLU 4 4 19298 1 . VAL 5 5 19298 1 . ARG 6 6 19298 1 . THR 7 7 19298 1 . LEU 8 8 19298 1 . PHE 9 9 19298 1 . VAL 10 10 19298 1 . SER 11 11 19298 1 . GLY 12 12 19298 1 . LEU 13 13 19298 1 . PRO 14 14 19298 1 . VAL 15 15 19298 1 . ASP 16 16 19298 1 . ILE 17 17 19298 1 . LYS 18 18 19298 1 . PRO 19 19 19298 1 . ARG 20 20 19298 1 . GLU 21 21 19298 1 . LEU 22 22 19298 1 . TYR 23 23 19298 1 . LEU 24 24 19298 1 . LEU 25 25 19298 1 . PHE 26 26 19298 1 . ARG 27 27 19298 1 . PRO 28 28 19298 1 . PHE 29 29 19298 1 . LYS 30 30 19298 1 . GLY 31 31 19298 1 . TYR 32 32 19298 1 . GLU 33 33 19298 1 . GLY 34 34 19298 1 . SER 35 35 19298 1 . LEU 36 36 19298 1 . ILE 37 37 19298 1 . LYS 38 38 19298 1 . LEU 39 39 19298 1 . THR 40 40 19298 1 . ALA 41 41 19298 1 . ARG 42 42 19298 1 . GLN 43 43 19298 1 . PRO 44 44 19298 1 . VAL 45 45 19298 1 . GLY 46 46 19298 1 . PHE 47 47 19298 1 . VAL 48 48 19298 1 . ILE 49 49 19298 1 . PHE 50 50 19298 1 . ASP 51 51 19298 1 . SER 52 52 19298 1 . ARG 53 53 19298 1 . ALA 54 54 19298 1 . GLY 55 55 19298 1 . ALA 56 56 19298 1 . GLU 57 57 19298 1 . ALA 58 58 19298 1 . ALA 59 59 19298 1 . LYS 60 60 19298 1 . ASN 61 61 19298 1 . ALA 62 62 19298 1 . LEU 63 63 19298 1 . ASN 64 64 19298 1 . GLY 65 65 19298 1 . ILE 66 66 19298 1 . ARG 67 67 19298 1 . PHE 68 68 19298 1 . ASP 69 69 19298 1 . PRO 70 70 19298 1 . GLU 71 71 19298 1 . ASN 72 72 19298 1 . PRO 73 73 19298 1 . GLN 74 74 19298 1 . THR 75 75 19298 1 . LEU 76 76 19298 1 . ARG 77 77 19298 1 . LEU 78 78 19298 1 . GLU 79 79 19298 1 . PHE 80 80 19298 1 . ALA 81 81 19298 1 . LYS 82 82 19298 1 . ALA 83 83 19298 1 . ASN 84 84 19298 1 . THR 85 85 19298 1 . LYS 86 86 19298 1 . MET 87 87 19298 1 . ALA 88 88 19298 1 . LYS 89 89 19298 1 . SER 90 90 19298 1 . LYS 91 91 19298 1 . LEU 92 92 19298 1 . GLU 93 93 19298 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 19298 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19298 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 19298 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . Ecoli . . . . . . 19298 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19298 _Sample.ID 1 _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 entity '[U-100% 15N]' . . 1 $entity . . 0.4-0.8 . . mM . . . . 19298 1 2 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.7 . . mM . . . . 19298 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19298 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19298 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 19298 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 19298 1 pH 6.3 . pH 19298 1 pressure 1 . atm 19298 1 temperature 305 . K 19298 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19298 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19298 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 19298 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 19298 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 19298 _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 . 700 . . . 19298 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 19298 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19298 1 2 '2D 1H-13C HSQC aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19298 1 3 '2D 1H-1H NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19298 1 4 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19298 1 5 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19298 1 6 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19298 1 7 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19298 1 8 '3D 1H-13C NOESY aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19298 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19298 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $CYANA _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 19298 _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 118.0 external indirect 1.00000000 . . . . . . . . . 19298 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.00000000 . . . . . . . . . 19298 1 N 15 DSS 'methyl protons' . . . . ppm 42.6 external indirect 1.00000000 . . . . . . . . . 19298 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 19298 _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 . 19298 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLU HA H 1 4.366 0.01 . 1 . . . A 27 GLU HA . 19298 1 2 . 1 1 2 2 GLU C C 13 176.23 0.01 . 1 . . . A 27 GLU C . 19298 1 3 . 1 1 2 2 GLU CA C 13 56.24 0.01 . 1 . . . A 27 GLU CA . 19298 1 4 . 1 1 2 2 GLU CB C 13 30.72 0.01 . 1 . . . A 27 GLU CB . 19298 1 5 . 1 1 3 3 GLU H H 1 8.521 0.01 . 1 . . . A 28 GLU H . 19298 1 6 . 1 1 3 3 GLU HA H 1 4.262 0.01 . 1 . . . A 28 GLU HA . 19298 1 7 . 1 1 3 3 GLU C C 13 175.86 0.01 . 1 . . . A 28 GLU C . 19298 1 8 . 1 1 3 3 GLU CA C 13 56.36 0.01 . 1 . . . A 28 GLU CA . 19298 1 9 . 1 1 3 3 GLU CB C 13 30.51 0.01 . 1 . . . A 28 GLU CB . 19298 1 10 . 1 1 3 3 GLU N N 15 122.50 0.01 . 1 . . . A 28 GLU N . 19298 1 11 . 1 1 4 4 GLU H H 1 8.521 0.01 . 1 . . . A 29 GLU H . 19298 1 12 . 1 1 4 4 GLU HA H 1 4.231 0.01 . 1 . . . A 29 GLU HA . 19298 1 13 . 1 1 4 4 GLU C C 13 176.74 0.01 . 1 . . . A 29 GLU C . 19298 1 14 . 1 1 4 4 GLU CA C 13 56.36 0.01 . 1 . . . A 29 GLU CA . 19298 1 15 . 1 1 4 4 GLU CB C 13 30.84 0.01 . 1 . . . A 29 GLU CB . 19298 1 16 . 1 1 4 4 GLU N N 15 123.29 0.01 . 1 . . . A 29 GLU N . 19298 1 17 . 1 1 5 5 VAL H H 1 8.715 0.01 . 1 . . . A 30 VAL H . 19298 1 18 . 1 1 5 5 VAL HA H 1 3.807 0.01 . 1 . . . A 30 VAL HA . 19298 1 19 . 1 1 5 5 VAL C C 13 175.11 0.01 . 1 . . . A 30 VAL C . 19298 1 20 . 1 1 5 5 VAL CA C 13 65.08 0.01 . 1 . . . A 30 VAL CA . 19298 1 21 . 1 1 5 5 VAL CB C 13 31.33 0.01 . 1 . . . A 30 VAL CB . 19298 1 22 . 1 1 5 5 VAL N N 15 125.64 0.01 . 1 . . . A 30 VAL N . 19298 1 23 . 1 1 6 6 ARG H H 1 9.378 0.01 . 1 . . . A 31 ARG H . 19298 1 24 . 1 1 6 6 ARG HA H 1 4.674 0.01 . 1 . . . A 31 ARG HA . 19298 1 25 . 1 1 6 6 ARG C C 13 172.60 0.01 . 1 . . . A 31 ARG C . 19298 1 26 . 1 1 6 6 ARG CA C 13 54.58 0.01 . 1 . . . A 31 ARG CA . 19298 1 27 . 1 1 6 6 ARG CB C 13 29.75 0.01 . 1 . . . A 31 ARG CB . 19298 1 28 . 1 1 6 6 ARG N N 15 124.73 0.01 . 1 . . . A 31 ARG N . 19298 1 29 . 1 1 7 7 THR H H 1 7.144 0.01 . 1 . . . A 32 THR H . 19298 1 30 . 1 1 7 7 THR HA H 1 5.471 0.01 . 1 . . . A 32 THR HA . 19298 1 31 . 1 1 7 7 THR C C 13 173.81 0.01 . 1 . . . A 32 THR C . 19298 1 32 . 1 1 7 7 THR CA C 13 61.25 0.01 . 1 . . . A 32 THR CA . 19298 1 33 . 1 1 7 7 THR CB C 13 71.36 0.01 . 1 . . . A 32 THR CB . 19298 1 34 . 1 1 7 7 THR N N 15 115.38 0.01 . 1 . . . A 32 THR N . 19298 1 35 . 1 1 8 8 LEU H H 1 9.701 0.01 . 1 . . . A 33 LEU H . 19298 1 36 . 1 1 8 8 LEU HA H 1 4.927 0.01 . 1 . . . A 33 LEU HA . 19298 1 37 . 1 1 8 8 LEU C C 13 174.96 0.01 . 1 . . . A 33 LEU C . 19298 1 38 . 1 1 8 8 LEU CA C 13 52.89 0.01 . 1 . . . A 33 LEU CA . 19298 1 39 . 1 1 8 8 LEU CB C 13 44.91 0.01 . 1 . . . A 33 LEU CB . 19298 1 40 . 1 1 8 8 LEU N N 15 124.60 0.01 . 1 . . . A 33 LEU N . 19298 1 41 . 1 1 9 9 PHE H H 1 9.411 0.01 . 1 . . . A 34 PHE H . 19298 1 42 . 1 1 9 9 PHE HA H 1 5.089 0.01 . 1 . . . A 34 PHE HA . 19298 1 43 . 1 1 9 9 PHE C C 13 174.53 0.01 . 1 . . . A 34 PHE C . 19298 1 44 . 1 1 9 9 PHE CA C 13 55.74 0.01 . 1 . . . A 34 PHE CA . 19298 1 45 . 1 1 9 9 PHE CB C 13 41.41 0.01 . 1 . . . A 34 PHE CB . 19298 1 46 . 1 1 9 9 PHE N N 15 122.60 0.01 . 1 . . . A 34 PHE N . 19298 1 47 . 1 1 10 10 VAL H H 1 8.878 0.01 . 1 . . . A 35 VAL H . 19298 1 48 . 1 1 10 10 VAL HA H 1 4.726 0.01 . 1 . . . A 35 VAL HA . 19298 1 49 . 1 1 10 10 VAL C C 13 173.52 0.01 . 1 . . . A 35 VAL C . 19298 1 50 . 1 1 10 10 VAL CA C 13 60.65 0.01 . 1 . . . A 35 VAL CA . 19298 1 51 . 1 1 10 10 VAL CB C 13 34.17 0.01 . 1 . . . A 35 VAL CB . 19298 1 52 . 1 1 10 10 VAL N N 15 127.05 0.01 . 1 . . . A 35 VAL N . 19298 1 53 . 1 1 11 11 SER H H 1 8.964 0.01 . 1 . . . A 36 SER H . 19298 1 54 . 1 1 11 11 SER HA H 1 4.876 0.01 . 1 . . . A 36 SER HA . 19298 1 55 . 1 1 11 11 SER C C 13 173.17 0.01 . 1 . . . A 36 SER C . 19298 1 56 . 1 1 11 11 SER CA C 13 56.70 0.01 . 1 . . . A 36 SER CA . 19298 1 57 . 1 1 11 11 SER CB C 13 65.44 0.01 . 1 . . . A 36 SER CB . 19298 1 58 . 1 1 11 11 SER N N 15 120.26 0.01 . 1 . . . A 36 SER N . 19298 1 59 . 1 1 12 12 GLY H H 1 8.567 0.01 . 1 . . . A 37 GLY H . 19298 1 60 . 1 1 12 12 GLY HA2 H 1 3.544 0.01 . 2 . . . A 37 GLY HA2 . 19298 1 61 . 1 1 12 12 GLY HA3 H 1 4.502 0.01 . 2 . . . A 37 GLY HA3 . 19298 1 62 . 1 1 12 12 GLY C C 13 174.15 0.01 . 1 . . . A 37 GLY C . 19298 1 63 . 1 1 12 12 GLY CA C 13 45.53 0.01 . 1 . . . A 37 GLY CA . 19298 1 64 . 1 1 12 12 GLY N N 15 108.69 0.01 . 1 . . . A 37 GLY N . 19298 1 65 . 1 1 13 13 LEU H H 1 7.426 0.01 . 1 . . . A 38 LEU H . 19298 1 66 . 1 1 13 13 LEU HA H 1 3.901 0.01 . 1 . . . A 38 LEU HA . 19298 1 67 . 1 1 13 13 LEU CA C 13 51.41 0.01 . 1 . . . A 38 LEU CA . 19298 1 68 . 1 1 13 13 LEU N N 15 118.64 0.01 . 1 . . . A 38 LEU N . 19298 1 69 . 1 1 14 14 PRO HA H 1 4.550 0.01 . 1 . . . A 39 PRO HA . 19298 1 70 . 1 1 14 14 PRO C C 13 177.54 0.01 . 1 . . . A 39 PRO C . 19298 1 71 . 1 1 14 14 PRO CA C 13 62.13 0.01 . 1 . . . A 39 PRO CA . 19298 1 72 . 1 1 14 14 PRO CB C 13 32.21 0.01 . 1 . . . A 39 PRO CB . 19298 1 73 . 1 1 15 15 VAL H H 1 8.311 0.01 . 1 . . . A 40 VAL H . 19298 1 74 . 1 1 15 15 VAL HA H 1 3.684 0.01 . 1 . . . A 40 VAL HA . 19298 1 75 . 1 1 15 15 VAL C C 13 175.65 0.01 . 1 . . . A 40 VAL C . 19298 1 76 . 1 1 15 15 VAL CA C 13 64.46 0.01 . 1 . . . A 40 VAL CA . 19298 1 77 . 1 1 15 15 VAL CB C 13 31.73 0.01 . 1 . . . A 40 VAL CB . 19298 1 78 . 1 1 15 15 VAL N N 15 114.99 0.01 . 1 . . . A 40 VAL N . 19298 1 79 . 1 1 16 16 ASP H H 1 7.809 0.01 . 1 . . . A 41 ASP H . 19298 1 80 . 1 1 16 16 ASP HA H 1 4.684 0.01 . 1 . . . A 41 ASP HA . 19298 1 81 . 1 1 16 16 ASP C C 13 176.14 0.01 . 1 . . . A 41 ASP C . 19298 1 82 . 1 1 16 16 ASP CA C 13 51.80 0.01 . 1 . . . A 41 ASP CA . 19298 1 83 . 1 1 16 16 ASP CB C 13 39.68 0.01 . 1 . . . A 41 ASP CB . 19298 1 84 . 1 1 16 16 ASP N N 15 117.41 0.01 . 1 . . . A 41 ASP N . 19298 1 85 . 1 1 17 17 ILE H H 1 7.098 0.01 . 1 . . . A 42 ILE H . 19298 1 86 . 1 1 17 17 ILE HA H 1 4.084 0.01 . 1 . . . A 42 ILE HA . 19298 1 87 . 1 1 17 17 ILE C C 13 173.94 0.01 . 1 . . . A 42 ILE C . 19298 1 88 . 1 1 17 17 ILE CA C 13 60.77 0.01 . 1 . . . A 42 ILE CA . 19298 1 89 . 1 1 17 17 ILE CB C 13 38.74 0.01 . 1 . . . A 42 ILE CB . 19298 1 90 . 1 1 17 17 ILE N N 15 119.18 0.01 . 1 . . . A 42 ILE N . 19298 1 91 . 1 1 18 18 LYS H H 1 8.963 0.01 . 1 . . . A 43 LYS H . 19298 1 92 . 1 1 18 18 LYS HA H 1 4.993 0.01 . 1 . . . A 43 LYS HA . 19298 1 93 . 1 1 18 18 LYS CA C 13 53.60 0.01 . 1 . . . A 43 LYS CA . 19298 1 94 . 1 1 18 18 LYS N N 15 126.52 0.01 . 1 . . . A 43 LYS N . 19298 1 95 . 1 1 19 19 PRO HA H 1 4.100 0.01 . 1 . . . A 44 PRO HA . 19298 1 96 . 1 1 19 19 PRO C C 13 180.11 0.01 . 1 . . . A 44 PRO C . 19298 1 97 . 1 1 19 19 PRO CA C 13 66.69 0.01 . 1 . . . A 44 PRO CA . 19298 1 98 . 1 1 19 19 PRO CB C 13 31.81 0.01 . 1 . . . A 44 PRO CB . 19298 1 99 . 1 1 20 20 ARG H H 1 8.922 0.01 . 1 . . . A 45 ARG H . 19298 1 100 . 1 1 20 20 ARG HA H 1 4.243 0.01 . 1 . . . A 45 ARG HA . 19298 1 101 . 1 1 20 20 ARG C C 13 176.20 0.01 . 1 . . . A 45 ARG C . 19298 1 102 . 1 1 20 20 ARG CA C 13 58.55 0.01 . 1 . . . A 45 ARG CA . 19298 1 103 . 1 1 20 20 ARG CB C 13 30.42 0.01 . 1 . . . A 45 ARG CB . 19298 1 104 . 1 1 20 20 ARG N N 15 115.44 0.01 . 1 . . . A 45 ARG N . 19298 1 105 . 1 1 21 21 GLU H H 1 8.340 0.01 . 1 . . . A 46 GLU H . 19298 1 106 . 1 1 21 21 GLU HA H 1 4.038 0.01 . 1 . . . A 46 GLU HA . 19298 1 107 . 1 1 21 21 GLU C C 13 178.82 0.01 . 1 . . . A 46 GLU C . 19298 1 108 . 1 1 21 21 GLU CA C 13 60.21 0.01 . 1 . . . A 46 GLU CA . 19298 1 109 . 1 1 21 21 GLU CB C 13 30.88 0.01 . 1 . . . A 46 GLU CB . 19298 1 110 . 1 1 21 21 GLU N N 15 119.72 0.01 . 1 . . . A 46 GLU N . 19298 1 111 . 1 1 22 22 LEU H H 1 7.196 0.01 . 1 . . . A 47 LEU H . 19298 1 112 . 1 1 22 22 LEU HA H 1 4.373 0.01 . 1 . . . A 47 LEU HA . 19298 1 113 . 1 1 22 22 LEU C C 13 178.38 0.01 . 1 . . . A 47 LEU C . 19298 1 114 . 1 1 22 22 LEU CA C 13 57.52 0.01 . 1 . . . A 47 LEU CA . 19298 1 115 . 1 1 22 22 LEU CB C 13 41.68 0.01 . 1 . . . A 47 LEU CB . 19298 1 116 . 1 1 22 22 LEU N N 15 115.57 0.01 . 1 . . . A 47 LEU N . 19298 1 117 . 1 1 23 23 TYR H H 1 6.816 0.01 . 1 . . . A 48 TYR H . 19298 1 118 . 1 1 23 23 TYR HA H 1 4.209 0.01 . 1 . . . A 48 TYR HA . 19298 1 119 . 1 1 23 23 TYR C C 13 176.38 0.01 . 1 . . . A 48 TYR C . 19298 1 120 . 1 1 23 23 TYR CA C 13 60.63 0.01 . 1 . . . A 48 TYR CA . 19298 1 121 . 1 1 23 23 TYR CB C 13 36.63 0.01 . 1 . . . A 48 TYR CB . 19298 1 122 . 1 1 23 23 TYR N N 15 119.67 0.01 . 1 . . . A 48 TYR N . 19298 1 123 . 1 1 24 24 LEU H H 1 8.129 0.01 . 1 . . . A 49 LEU H . 19298 1 124 . 1 1 24 24 LEU HA H 1 3.202 0.01 . 1 . . . A 49 LEU HA . 19298 1 125 . 1 1 24 24 LEU C C 13 179.03 0.01 . 1 . . . A 49 LEU C . 19298 1 126 . 1 1 24 24 LEU CA C 13 57.74 0.01 . 1 . . . A 49 LEU CA . 19298 1 127 . 1 1 24 24 LEU CB C 13 43.23 0.01 . 1 . . . A 49 LEU CB . 19298 1 128 . 1 1 24 24 LEU N N 15 118.19 0.01 . 1 . . . A 49 LEU N . 19298 1 129 . 1 1 25 25 LEU H H 1 7.543 0.01 . 1 . . . A 50 LEU H . 19298 1 130 . 1 1 25 25 LEU HA H 1 3.710 0.01 . 1 . . . A 50 LEU HA . 19298 1 131 . 1 1 25 25 LEU C C 13 176.42 0.01 . 1 . . . A 50 LEU C . 19298 1 132 . 1 1 25 25 LEU CA C 13 57.29 0.01 . 1 . . . A 50 LEU CA . 19298 1 133 . 1 1 25 25 LEU CB C 13 42.64 0.01 . 1 . . . A 50 LEU CB . 19298 1 134 . 1 1 25 25 LEU N N 15 117.13 0.01 . 1 . . . A 50 LEU N . 19298 1 135 . 1 1 26 26 PHE H H 1 7.439 0.01 . 1 . . . A 51 PHE H . 19298 1 136 . 1 1 26 26 PHE HA H 1 4.660 0.01 . 1 . . . A 51 PHE HA . 19298 1 137 . 1 1 26 26 PHE C C 13 175.11 0.01 . 1 . . . A 51 PHE C . 19298 1 138 . 1 1 26 26 PHE CA C 13 59.64 0.01 . 1 . . . A 51 PHE CA . 19298 1 139 . 1 1 26 26 PHE CB C 13 40.25 0.01 . 1 . . . A 51 PHE CB . 19298 1 140 . 1 1 26 26 PHE N N 15 110.42 0.01 . 1 . . . A 51 PHE N . 19298 1 141 . 1 1 27 27 ARG H H 1 7.865 0.01 . 1 . . . A 52 ARG H . 19298 1 142 . 1 1 27 27 ARG HA H 1 3.743 0.01 . 1 . . . A 52 ARG HA . 19298 1 143 . 1 1 27 27 ARG CA C 13 59.92 0.01 . 1 . . . A 52 ARG CA . 19298 1 144 . 1 1 27 27 ARG N N 15 120.68 0.01 . 1 . . . A 52 ARG N . 19298 1 145 . 1 1 28 28 PRO HA H 1 4.202 0.01 . 1 . . . A 53 PRO HA . 19298 1 146 . 1 1 28 28 PRO C C 13 176.60 0.01 . 1 . . . A 53 PRO C . 19298 1 147 . 1 1 28 28 PRO CA C 13 64.54 0.01 . 1 . . . A 53 PRO CA . 19298 1 148 . 1 1 28 28 PRO CB C 13 30.96 0.01 . 1 . . . A 53 PRO CB . 19298 1 149 . 1 1 29 29 PHE H H 1 7.943 0.01 . 1 . . . A 54 PHE H . 19298 1 150 . 1 1 29 29 PHE HA H 1 4.256 0.01 . 1 . . . A 54 PHE HA . 19298 1 151 . 1 1 29 29 PHE C C 13 175.50 0.01 . 1 . . . A 54 PHE C . 19298 1 152 . 1 1 29 29 PHE CA C 13 59.20 0.01 . 1 . . . A 54 PHE CA . 19298 1 153 . 1 1 29 29 PHE CB C 13 38.68 0.01 . 1 . . . A 54 PHE CB . 19298 1 154 . 1 1 29 29 PHE N N 15 117.47 0.01 . 1 . . . A 54 PHE N . 19298 1 155 . 1 1 30 30 LYS H H 1 8.571 0.01 . 1 . . . A 55 LYS H . 19298 1 156 . 1 1 30 30 LYS HA H 1 4.153 0.01 . 1 . . . A 55 LYS HA . 19298 1 157 . 1 1 30 30 LYS C C 13 177.90 0.01 . 1 . . . A 55 LYS C . 19298 1 158 . 1 1 30 30 LYS CA C 13 58.04 0.01 . 1 . . . A 55 LYS CA . 19298 1 159 . 1 1 30 30 LYS CB C 13 32.53 0.01 . 1 . . . A 55 LYS CB . 19298 1 160 . 1 1 30 30 LYS N N 15 126.46 0.01 . 1 . . . A 55 LYS N . 19298 1 161 . 1 1 31 31 GLY H H 1 9.045 0.01 . 1 . . . A 56 GLY H . 19298 1 162 . 1 1 31 31 GLY HA2 H 1 3.883 0.01 . 2 . . . A 56 GLY HA2 . 19298 1 163 . 1 1 31 31 GLY HA3 H 1 4.661 0.01 . 2 . . . A 56 GLY HA3 . 19298 1 164 . 1 1 31 31 GLY C C 13 174.83 0.01 . 1 . . . A 56 GLY C . 19298 1 165 . 1 1 31 31 GLY CA C 13 45.15 0.01 . 1 . . . A 56 GLY CA . 19298 1 166 . 1 1 31 31 GLY N N 15 112.78 0.01 . 1 . . . A 56 GLY N . 19298 1 167 . 1 1 32 32 TYR H H 1 7.560 0.01 . 1 . . . A 57 TYR H . 19298 1 168 . 1 1 32 32 TYR HA H 1 3.076 0.01 . 1 . . . A 57 TYR HA . 19298 1 169 . 1 1 32 32 TYR C C 13 175.26 0.01 . 1 . . . A 57 TYR C . 19298 1 170 . 1 1 32 32 TYR CA C 13 59.65 0.01 . 1 . . . A 57 TYR CA . 19298 1 171 . 1 1 32 32 TYR CB C 13 38.19 0.01 . 1 . . . A 57 TYR CB . 19298 1 172 . 1 1 32 32 TYR N N 15 121.70 0.01 . 1 . . . A 57 TYR N . 19298 1 173 . 1 1 33 33 GLU H H 1 8.356 0.01 . 1 . . . A 58 GLU H . 19298 1 174 . 1 1 33 33 GLU HA H 1 4.268 0.01 . 1 . . . A 58 GLU HA . 19298 1 175 . 1 1 33 33 GLU C C 13 175.70 0.01 . 1 . . . A 58 GLU C . 19298 1 176 . 1 1 33 33 GLU CA C 13 56.34 0.01 . 1 . . . A 58 GLU CA . 19298 1 177 . 1 1 33 33 GLU CB C 13 31.73 0.01 . 1 . . . A 58 GLU CB . 19298 1 178 . 1 1 33 33 GLU N N 15 128.50 0.01 . 1 . . . A 58 GLU N . 19298 1 179 . 1 1 34 34 GLY H H 1 6.411 0.01 . 1 . . . A 59 GLY H . 19298 1 180 . 1 1 34 34 GLY HA2 H 1 3.645 0.01 . 2 . . . A 59 GLY HA2 . 19298 1 181 . 1 1 34 34 GLY HA3 H 1 4.007 0.01 . 2 . . . A 59 GLY HA3 . 19298 1 182 . 1 1 34 34 GLY C C 13 170.31 0.01 . 1 . . . A 59 GLY C . 19298 1 183 . 1 1 34 34 GLY CA C 13 45.53 0.01 . 1 . . . A 59 GLY CA . 19298 1 184 . 1 1 34 34 GLY N N 15 104.92 0.01 . 1 . . . A 59 GLY N . 19298 1 185 . 1 1 35 35 SER H H 1 8.280 0.01 . 1 . . . A 60 SER H . 19298 1 186 . 1 1 35 35 SER HA H 1 5.468 0.01 . 1 . . . A 60 SER HA . 19298 1 187 . 1 1 35 35 SER C C 13 172.47 0.01 . 1 . . . A 60 SER C . 19298 1 188 . 1 1 35 35 SER CA C 13 57.17 0.01 . 1 . . . A 60 SER CA . 19298 1 189 . 1 1 35 35 SER CB C 13 66.61 0.01 . 1 . . . A 60 SER CB . 19298 1 190 . 1 1 35 35 SER N N 15 110.02 0.01 . 1 . . . A 60 SER N . 19298 1 191 . 1 1 36 36 LEU H H 1 8.953 0.01 . 1 . . . A 61 LEU H . 19298 1 192 . 1 1 36 36 LEU HA H 1 4.743 0.01 . 1 . . . A 61 LEU HA . 19298 1 193 . 1 1 36 36 LEU C C 13 174.60 0.01 . 1 . . . A 61 LEU C . 19298 1 194 . 1 1 36 36 LEU CA C 13 54.68 0.01 . 1 . . . A 61 LEU CA . 19298 1 195 . 1 1 36 36 LEU CB C 13 45.38 0.01 . 1 . . . A 61 LEU CB . 19298 1 196 . 1 1 36 36 LEU N N 15 118.49 0.01 . 1 . . . A 61 LEU N . 19298 1 197 . 1 1 37 37 ILE H H 1 8.639 0.01 . 1 . . . A 62 ILE H . 19298 1 198 . 1 1 37 37 ILE HA H 1 4.917 0.01 . 1 . . . A 62 ILE HA . 19298 1 199 . 1 1 37 37 ILE C C 13 175.60 0.01 . 1 . . . A 62 ILE C . 19298 1 200 . 1 1 37 37 ILE CA C 13 59.49 0.01 . 1 . . . A 62 ILE CA . 19298 1 201 . 1 1 37 37 ILE CB C 13 39.92 0.01 . 1 . . . A 62 ILE CB . 19298 1 202 . 1 1 37 37 ILE N N 15 120.76 0.01 . 1 . . . A 62 ILE N . 19298 1 203 . 1 1 38 38 LYS H H 1 9.145 0.01 . 1 . . . A 63 LYS H . 19298 1 204 . 1 1 38 38 LYS HA H 1 4.702 0.01 . 1 . . . A 63 LYS HA . 19298 1 205 . 1 1 38 38 LYS C C 13 174.70 0.01 . 1 . . . A 63 LYS C . 19298 1 206 . 1 1 38 38 LYS CA C 13 54.55 0.01 . 1 . . . A 63 LYS CA . 19298 1 207 . 1 1 38 38 LYS CB C 13 35.49 0.01 . 1 . . . A 63 LYS CB . 19298 1 208 . 1 1 38 38 LYS N N 15 127.24 0.01 . 1 . . . A 63 LYS N . 19298 1 209 . 1 1 39 39 LEU H H 1 8.648 0.01 . 1 . . . A 64 LEU H . 19298 1 210 . 1 1 39 39 LEU HA H 1 4.702 0.01 . 1 . . . A 64 LEU HA . 19298 1 211 . 1 1 39 39 LEU C C 13 177.47 0.01 . 1 . . . A 64 LEU C . 19298 1 212 . 1 1 39 39 LEU CA C 13 54.59 0.01 . 1 . . . A 64 LEU CA . 19298 1 213 . 1 1 39 39 LEU CB C 13 42.42 0.01 . 1 . . . A 64 LEU CB . 19298 1 214 . 1 1 39 39 LEU N N 15 124.70 0.01 . 1 . . . A 64 LEU N . 19298 1 215 . 1 1 40 40 THR H H 1 8.330 0.01 . 1 . . . A 65 THR H . 19298 1 216 . 1 1 40 40 THR HA H 1 4.521 0.01 . 1 . . . A 65 THR HA . 19298 1 217 . 1 1 40 40 THR C C 13 174.16 0.01 . 1 . . . A 65 THR C . 19298 1 218 . 1 1 40 40 THR CA C 13 60.99 0.01 . 1 . . . A 65 THR CA . 19298 1 219 . 1 1 40 40 THR CB C 13 70.63 0.01 . 1 . . . A 65 THR CB . 19298 1 220 . 1 1 40 40 THR N N 15 116.86 0.01 . 1 . . . A 65 THR N . 19298 1 221 . 1 1 41 41 ALA H H 1 8.834 0.01 . 1 . . . A 66 ALA H . 19298 1 222 . 1 1 41 41 ALA HA H 1 4.170 0.01 . 1 . . . A 66 ALA HA . 19298 1 223 . 1 1 41 41 ALA C C 13 177.06 0.01 . 1 . . . A 66 ALA C . 19298 1 224 . 1 1 41 41 ALA CA C 13 53.59 0.01 . 1 . . . A 66 ALA CA . 19298 1 225 . 1 1 41 41 ALA CB C 13 18.06 0.01 . 1 . . . A 66 ALA CB . 19298 1 226 . 1 1 41 41 ALA N N 15 127.31 0.01 . 1 . . . A 66 ALA N . 19298 1 227 . 1 1 42 42 ARG H H 1 8.335 0.01 . 1 . . . A 67 ARG H . 19298 1 228 . 1 1 42 42 ARG HA H 1 4.064 0.01 . 1 . . . A 67 ARG HA . 19298 1 229 . 1 1 42 42 ARG C C 13 175.40 0.01 . 1 . . . A 67 ARG C . 19298 1 230 . 1 1 42 42 ARG CA C 13 57.31 0.01 . 1 . . . A 67 ARG CA . 19298 1 231 . 1 1 42 42 ARG CB C 13 29.77 0.01 . 1 . . . A 67 ARG CB . 19298 1 232 . 1 1 42 42 ARG N N 15 113.66 0.01 . 1 . . . A 67 ARG N . 19298 1 233 . 1 1 43 43 GLN H H 1 7.832 0.01 . 1 . . . A 68 GLN H . 19298 1 234 . 1 1 43 43 GLN HA H 1 4.815 0.01 . 1 . . . A 68 GLN HA . 19298 1 235 . 1 1 43 43 GLN CA C 13 53.28 0.01 . 1 . . . A 68 GLN CA . 19298 1 236 . 1 1 43 43 GLN N N 15 118.79 0.01 . 1 . . . A 68 GLN N . 19298 1 237 . 1 1 44 44 PRO HA H 1 4.846 0.01 . 1 . . . A 69 PRO HA . 19298 1 238 . 1 1 44 44 PRO C C 13 175.48 0.01 . 1 . . . A 69 PRO C . 19298 1 239 . 1 1 44 44 PRO CA C 13 62.90 0.01 . 1 . . . A 69 PRO CA . 19298 1 240 . 1 1 44 44 PRO CB C 13 32.45 0.01 . 1 . . . A 69 PRO CB . 19298 1 241 . 1 1 45 45 VAL H H 1 8.722 0.01 . 1 . . . A 70 VAL H . 19298 1 242 . 1 1 45 45 VAL HA H 1 4.542 0.01 . 1 . . . A 70 VAL HA . 19298 1 243 . 1 1 45 45 VAL C C 13 174.47 0.01 . 1 . . . A 70 VAL C . 19298 1 244 . 1 1 45 45 VAL CA C 13 60.04 0.01 . 1 . . . A 70 VAL CA . 19298 1 245 . 1 1 45 45 VAL CB C 13 34.92 0.01 . 1 . . . A 70 VAL CB . 19298 1 246 . 1 1 45 45 VAL N N 15 117.70 0.01 . 1 . . . A 70 VAL N . 19298 1 247 . 1 1 46 46 GLY H H 1 8.716 0.01 . 1 . . . A 71 GLY H . 19298 1 248 . 1 1 46 46 GLY HA2 H 1 2.992 0.01 . 2 . . . A 71 GLY HA2 . 19298 1 249 . 1 1 46 46 GLY HA3 H 1 5.241 0.01 . 2 . . . A 71 GLY HA3 . 19298 1 250 . 1 1 46 46 GLY C C 13 171.00 0.01 . 1 . . . A 71 GLY C . 19298 1 251 . 1 1 46 46 GLY CA C 13 43.99 0.01 . 1 . . . A 71 GLY CA . 19298 1 252 . 1 1 46 46 GLY N N 15 107.93 0.01 . 1 . . . A 71 GLY N . 19298 1 253 . 1 1 47 47 PHE H H 1 8.934 0.01 . 1 . . . A 72 PHE H . 19298 1 254 . 1 1 47 47 PHE HA H 1 5.635 0.01 . 1 . . . A 72 PHE HA . 19298 1 255 . 1 1 47 47 PHE C C 13 175.35 0.01 . 1 . . . A 72 PHE C . 19298 1 256 . 1 1 47 47 PHE CA C 13 56.83 0.01 . 1 . . . A 72 PHE CA . 19298 1 257 . 1 1 47 47 PHE CB C 13 42.11 0.01 . 1 . . . A 72 PHE CB . 19298 1 258 . 1 1 47 47 PHE N N 15 119.40 0.01 . 1 . . . A 72 PHE N . 19298 1 259 . 1 1 48 48 VAL H H 1 8.934 0.01 . 1 . . . A 73 VAL H . 19298 1 260 . 1 1 48 48 VAL HA H 1 4.563 0.01 . 1 . . . A 73 VAL HA . 19298 1 261 . 1 1 48 48 VAL C C 13 172.93 0.01 . 1 . . . A 73 VAL C . 19298 1 262 . 1 1 48 48 VAL CA C 13 60.76 0.01 . 1 . . . A 73 VAL CA . 19298 1 263 . 1 1 48 48 VAL CB C 13 34.57 0.01 . 1 . . . A 73 VAL CB . 19298 1 264 . 1 1 48 48 VAL N N 15 122.00 0.01 . 1 . . . A 73 VAL N . 19298 1 265 . 1 1 49 49 ILE H H 1 8.702 0.01 . 1 . . . A 74 ILE H . 19298 1 266 . 1 1 49 49 ILE HA H 1 4.867 0.01 . 1 . . . A 74 ILE HA . 19298 1 267 . 1 1 49 49 ILE C C 13 173.70 0.01 . 1 . . . A 74 ILE C . 19298 1 268 . 1 1 49 49 ILE CA C 13 60.88 0.01 . 1 . . . A 74 ILE CA . 19298 1 269 . 1 1 49 49 ILE CB C 13 33.40 0.01 . 1 . . . A 74 ILE CB . 19298 1 270 . 1 1 49 49 ILE N N 15 128.00 0.01 . 1 . . . A 74 ILE N . 19298 1 271 . 1 1 50 50 PHE H H 1 8.200 0.01 . 1 . . . A 75 PHE H . 19298 1 272 . 1 1 50 50 PHE HA H 1 5.147 0.01 . 1 . . . A 75 PHE HA . 19298 1 273 . 1 1 50 50 PHE C C 13 175.88 0.01 . 1 . . . A 75 PHE C . 19298 1 274 . 1 1 50 50 PHE CA C 13 56.22 0.01 . 1 . . . A 75 PHE CA . 19298 1 275 . 1 1 50 50 PHE CB C 13 44.68 0.01 . 1 . . . A 75 PHE CB . 19298 1 276 . 1 1 50 50 PHE N N 15 125.20 0.01 . 1 . . . A 75 PHE N . 19298 1 277 . 1 1 51 51 ASP H H 1 9.400 0.01 . 1 . . . A 76 ASP H . 19298 1 278 . 1 1 51 51 ASP HA H 1 4.277 0.01 . 1 . . . A 76 ASP HA . 19298 1 279 . 1 1 51 51 ASP C C 13 176.02 0.01 . 1 . . . A 76 ASP C . 19298 1 280 . 1 1 51 51 ASP CA C 13 55.58 0.01 . 1 . . . A 76 ASP CA . 19298 1 281 . 1 1 51 51 ASP CB C 13 40.52 0.01 . 1 . . . A 76 ASP CB . 19298 1 282 . 1 1 51 51 ASP N N 15 119.15 0.01 . 1 . . . A 76 ASP N . 19298 1 283 . 1 1 52 52 SER H H 1 7.804 0.01 . 1 . . . A 77 SER H . 19298 1 284 . 1 1 52 52 SER HA H 1 4.683 0.01 . 1 . . . A 77 SER HA . 19298 1 285 . 1 1 52 52 SER C C 13 173.67 0.01 . 1 . . . A 77 SER C . 19298 1 286 . 1 1 52 52 SER CA C 13 56.62 0.01 . 1 . . . A 77 SER CA . 19298 1 287 . 1 1 52 52 SER CB C 13 66.47 0.01 . 1 . . . A 77 SER CB . 19298 1 288 . 1 1 52 52 SER N N 15 111.28 0.01 . 1 . . . A 77 SER N . 19298 1 289 . 1 1 53 53 ARG H H 1 9.348 0.01 . 1 . . . A 78 ARG H . 19298 1 290 . 1 1 53 53 ARG HA H 1 4.030 0.01 . 1 . . . A 78 ARG HA . 19298 1 291 . 1 1 53 53 ARG C C 13 177.71 0.01 . 1 . . . A 78 ARG C . 19298 1 292 . 1 1 53 53 ARG CA C 13 59.87 0.01 . 1 . . . A 78 ARG CA . 19298 1 293 . 1 1 53 53 ARG CB C 13 29.80 0.01 . 1 . . . A 78 ARG CB . 19298 1 294 . 1 1 53 53 ARG N N 15 125.24 0.01 . 1 . . . A 78 ARG N . 19298 1 295 . 1 1 54 54 ALA H H 1 8.660 0.01 . 1 . . . A 79 ALA H . 19298 1 296 . 1 1 54 54 ALA HA H 1 4.200 0.01 . 1 . . . A 79 ALA HA . 19298 1 297 . 1 1 54 54 ALA C C 13 181.36 0.01 . 1 . . . A 79 ALA C . 19298 1 298 . 1 1 54 54 ALA CA C 13 55.28 0.01 . 1 . . . A 79 ALA CA . 19298 1 299 . 1 1 54 54 ALA CB C 13 18.15 0.01 . 1 . . . A 79 ALA CB . 19298 1 300 . 1 1 54 54 ALA N N 15 120.70 0.01 . 1 . . . A 79 ALA N . 19298 1 301 . 1 1 55 55 GLY H H 1 8.161 0.01 . 1 . . . A 80 GLY H . 19298 1 302 . 1 1 55 55 GLY HA2 H 1 3.925 0.01 . 2 . . . A 80 GLY HA2 . 19298 1 303 . 1 1 55 55 GLY HA3 H 1 3.925 0.01 . 2 . . . A 80 GLY HA3 . 19298 1 304 . 1 1 55 55 GLY C C 13 175.71 0.01 . 1 . . . A 80 GLY C . 19298 1 305 . 1 1 55 55 GLY CA C 13 46.79 0.01 . 1 . . . A 80 GLY CA . 19298 1 306 . 1 1 55 55 GLY N N 15 107.50 0.01 . 1 . . . A 80 GLY N . 19298 1 307 . 1 1 56 56 ALA H H 1 7.298 0.01 . 1 . . . A 81 ALA H . 19298 1 308 . 1 1 56 56 ALA HA H 1 2.576 0.01 . 1 . . . A 81 ALA HA . 19298 1 309 . 1 1 56 56 ALA C C 13 178.57 0.01 . 1 . . . A 81 ALA C . 19298 1 310 . 1 1 56 56 ALA CA C 13 54.22 0.01 . 1 . . . A 81 ALA CA . 19298 1 311 . 1 1 56 56 ALA CB C 13 18.18 0.01 . 1 . . . A 81 ALA CB . 19298 1 312 . 1 1 56 56 ALA N N 15 124.65 0.01 . 1 . . . A 81 ALA N . 19298 1 313 . 1 1 57 57 GLU H H 1 8.930 0.01 . 1 . . . A 82 GLU H . 19298 1 314 . 1 1 57 57 GLU HA H 1 3.731 0.01 . 1 . . . A 82 GLU HA . 19298 1 315 . 1 1 57 57 GLU C C 13 177.80 0.01 . 1 . . . A 82 GLU C . 19298 1 316 . 1 1 57 57 GLU CA C 13 59.56 0.01 . 1 . . . A 82 GLU CA . 19298 1 317 . 1 1 57 57 GLU CB C 13 29.86 0.01 . 1 . . . A 82 GLU CB . 19298 1 318 . 1 1 57 57 GLU N N 15 118.89 0.01 . 1 . . . A 82 GLU N . 19298 1 319 . 1 1 58 58 ALA H H 1 7.572 0.01 . 1 . . . A 83 ALA H . 19298 1 320 . 1 1 58 58 ALA HA H 1 4.117 0.01 . 1 . . . A 83 ALA HA . 19298 1 321 . 1 1 58 58 ALA C C 13 180.81 0.01 . 1 . . . A 83 ALA C . 19298 1 322 . 1 1 58 58 ALA CA C 13 54.89 0.01 . 1 . . . A 83 ALA CA . 19298 1 323 . 1 1 58 58 ALA CB C 13 18.15 0.01 . 1 . . . A 83 ALA CB . 19298 1 324 . 1 1 58 58 ALA N N 15 119.41 0.01 . 1 . . . A 83 ALA N . 19298 1 325 . 1 1 59 59 ALA H H 1 6.950 0.01 . 1 . . . A 84 ALA H . 19298 1 326 . 1 1 59 59 ALA HA H 1 3.140 0.01 . 1 . . . A 84 ALA HA . 19298 1 327 . 1 1 59 59 ALA C C 13 178.01 0.01 . 1 . . . A 84 ALA C . 19298 1 328 . 1 1 59 59 ALA CA C 13 54.73 0.01 . 1 . . . A 84 ALA CA . 19298 1 329 . 1 1 59 59 ALA CB C 13 18.71 0.01 . 1 . . . A 84 ALA CB . 19298 1 330 . 1 1 59 59 ALA N N 15 120.28 0.01 . 1 . . . A 84 ALA N . 19298 1 331 . 1 1 60 60 LYS H H 1 8.042 0.01 . 1 . . . A 85 LYS H . 19298 1 332 . 1 1 60 60 LYS HA H 1 3.588 0.01 . 1 . . . A 85 LYS HA . 19298 1 333 . 1 1 60 60 LYS C C 13 177.70 0.01 . 1 . . . A 85 LYS C . 19298 1 334 . 1 1 60 60 LYS CA C 13 59.56 0.01 . 1 . . . A 85 LYS CA . 19298 1 335 . 1 1 60 60 LYS CB C 13 32.09 0.01 . 1 . . . A 85 LYS CB . 19298 1 336 . 1 1 60 60 LYS N N 15 118.04 0.01 . 1 . . . A 85 LYS N . 19298 1 337 . 1 1 61 61 ASN H H 1 8.087 0.01 . 1 . . . A 86 ASN H . 19298 1 338 . 1 1 61 61 ASN HA H 1 4.473 0.01 . 1 . . . A 86 ASN HA . 19298 1 339 . 1 1 61 61 ASN C C 13 177.32 0.01 . 1 . . . A 86 ASN C . 19298 1 340 . 1 1 61 61 ASN CA C 13 55.07 0.01 . 1 . . . A 86 ASN CA . 19298 1 341 . 1 1 61 61 ASN CB C 13 37.99 0.01 . 1 . . . A 86 ASN CB . 19298 1 342 . 1 1 61 61 ASN N N 15 114.63 0.01 . 1 . . . A 86 ASN N . 19298 1 343 . 1 1 62 62 ALA H H 1 7.557 0.01 . 1 . . . A 87 ALA H . 19298 1 344 . 1 1 62 62 ALA HA H 1 4.307 0.01 . 1 . . . A 87 ALA HA . 19298 1 345 . 1 1 62 62 ALA C C 13 179.63 0.01 . 1 . . . A 87 ALA C . 19298 1 346 . 1 1 62 62 ALA CA C 13 54.30 0.01 . 1 . . . A 87 ALA CA . 19298 1 347 . 1 1 62 62 ALA CB C 13 20.18 0.01 . 1 . . . A 87 ALA CB . 19298 1 348 . 1 1 62 62 ALA N N 15 120.20 0.01 . 1 . . . A 87 ALA N . 19298 1 349 . 1 1 63 63 LEU H H 1 7.561 0.01 . 1 . . . A 88 LEU H . 19298 1 350 . 1 1 63 63 LEU HA H 1 4.413 0.01 . 1 . . . A 88 LEU HA . 19298 1 351 . 1 1 63 63 LEU C C 13 176.58 0.01 . 1 . . . A 88 LEU C . 19298 1 352 . 1 1 63 63 LEU CA C 13 54.41 0.01 . 1 . . . A 88 LEU CA . 19298 1 353 . 1 1 63 63 LEU CB C 13 44.33 0.01 . 1 . . . A 88 LEU CB . 19298 1 354 . 1 1 63 63 LEU N N 15 114.21 0.01 . 1 . . . A 88 LEU N . 19298 1 355 . 1 1 64 64 ASN H H 1 7.550 0.01 . 1 . . . A 89 ASN H . 19298 1 356 . 1 1 64 64 ASN HA H 1 4.256 0.01 . 1 . . . A 89 ASN HA . 19298 1 357 . 1 1 64 64 ASN C C 13 177.70 0.01 . 1 . . . A 89 ASN C . 19298 1 358 . 1 1 64 64 ASN CA C 13 55.99 0.01 . 1 . . . A 89 ASN CA . 19298 1 359 . 1 1 64 64 ASN CB C 13 38.57 0.01 . 1 . . . A 89 ASN CB . 19298 1 360 . 1 1 64 64 ASN N N 15 117.97 0.01 . 1 . . . A 89 ASN N . 19298 1 361 . 1 1 65 65 GLY H H 1 8.734 0.01 . 1 . . . A 90 GLY H . 19298 1 362 . 1 1 65 65 GLY HA2 H 1 3.741 0.01 . 2 . . . A 90 GLY HA2 . 19298 1 363 . 1 1 65 65 GLY HA3 H 1 4.318 0.01 . 2 . . . A 90 GLY HA3 . 19298 1 364 . 1 1 65 65 GLY C C 13 174.36 0.01 . 1 . . . A 90 GLY C . 19298 1 365 . 1 1 65 65 GLY CA C 13 45.76 0.01 . 1 . . . A 90 GLY CA . 19298 1 366 . 1 1 65 65 GLY N N 15 112.22 0.01 . 1 . . . A 90 GLY N . 19298 1 367 . 1 1 66 66 ILE H H 1 7.518 0.01 . 1 . . . A 91 ILE H . 19298 1 368 . 1 1 66 66 ILE HA H 1 4.476 0.01 . 1 . . . A 91 ILE HA . 19298 1 369 . 1 1 66 66 ILE C C 13 175.94 0.01 . 1 . . . A 91 ILE C . 19298 1 370 . 1 1 66 66 ILE CA C 13 60.52 0.01 . 1 . . . A 91 ILE CA . 19298 1 371 . 1 1 66 66 ILE CB C 13 39.02 0.01 . 1 . . . A 91 ILE CB . 19298 1 372 . 1 1 66 66 ILE N N 15 115.84 0.01 . 1 . . . A 91 ILE N . 19298 1 373 . 1 1 67 67 ARG H H 1 8.461 0.01 . 1 . . . A 92 ARG H . 19298 1 374 . 1 1 67 67 ARG HA H 1 4.477 0.01 . 1 . . . A 92 ARG HA . 19298 1 375 . 1 1 67 67 ARG C C 13 175.84 0.01 . 1 . . . A 92 ARG C . 19298 1 376 . 1 1 67 67 ARG CA C 13 56.66 0.01 . 1 . . . A 92 ARG CA . 19298 1 377 . 1 1 67 67 ARG CB C 13 30.55 0.01 . 1 . . . A 92 ARG CB . 19298 1 378 . 1 1 67 67 ARG N N 15 120.16 0.01 . 1 . . . A 92 ARG N . 19298 1 379 . 1 1 68 68 PHE H H 1 8.443 0.01 . 1 . . . A 93 PHE H . 19298 1 380 . 1 1 68 68 PHE HA H 1 4.057 0.01 . 1 . . . A 93 PHE HA . 19298 1 381 . 1 1 68 68 PHE C C 13 171.62 0.01 . 1 . . . A 93 PHE C . 19298 1 382 . 1 1 68 68 PHE CA C 13 61.01 0.01 . 1 . . . A 93 PHE CA . 19298 1 383 . 1 1 68 68 PHE CB C 13 40.48 0.01 . 1 . . . A 93 PHE CB . 19298 1 384 . 1 1 68 68 PHE N N 15 126.78 0.01 . 1 . . . A 93 PHE N . 19298 1 385 . 1 1 69 69 ASP H H 1 7.860 0.01 . 1 . . . A 94 ASP H . 19298 1 386 . 1 1 69 69 ASP HA H 1 4.869 0.01 . 1 . . . A 94 ASP HA . 19298 1 387 . 1 1 69 69 ASP CA C 13 48.53 0.01 . 1 . . . A 94 ASP CA . 19298 1 388 . 1 1 69 69 ASP N N 15 110.65 0.01 . 1 . . . A 94 ASP N . 19298 1 389 . 1 1 70 70 PRO HA H 1 3.847 0.01 . 1 . . . A 95 PRO HA . 19298 1 390 . 1 1 70 70 PRO C C 13 177.65 0.01 . 1 . . . A 95 PRO C . 19298 1 391 . 1 1 70 70 PRO CA C 13 63.29 0.01 . 1 . . . A 95 PRO CA . 19298 1 392 . 1 1 70 70 PRO CB C 13 32.09 0.01 . 1 . . . A 95 PRO CB . 19298 1 393 . 1 1 71 71 GLU H H 1 7.944 0.01 . 1 . . . A 96 GLU H . 19298 1 394 . 1 1 71 71 GLU HA H 1 4.225 0.01 . 1 . . . A 96 GLU HA . 19298 1 395 . 1 1 71 71 GLU C C 13 175.31 0.01 . 1 . . . A 96 GLU C . 19298 1 396 . 1 1 71 71 GLU CA C 13 56.17 0.01 . 1 . . . A 96 GLU CA . 19298 1 397 . 1 1 71 71 GLU CB C 13 30.00 0.01 . 1 . . . A 96 GLU CB . 19298 1 398 . 1 1 71 71 GLU N N 15 115.27 0.01 . 1 . . . A 96 GLU N . 19298 1 399 . 1 1 72 72 ASN H H 1 8.190 0.01 . 1 . . . A 97 ASN H . 19298 1 400 . 1 1 72 72 ASN HA H 1 5.202 0.01 . 1 . . . A 97 ASN HA . 19298 1 401 . 1 1 72 72 ASN CA C 13 49.86 0.01 . 1 . . . A 97 ASN CA . 19298 1 402 . 1 1 72 72 ASN N N 15 121.61 0.01 . 1 . . . A 97 ASN N . 19298 1 403 . 1 1 73 73 PRO HA H 1 4.169 0.01 . 1 . . . A 98 PRO HA . 19298 1 404 . 1 1 73 73 PRO C C 13 176.94 0.01 . 1 . . . A 98 PRO C . 19298 1 405 . 1 1 73 73 PRO CA C 13 63.29 0.01 . 1 . . . A 98 PRO CA . 19298 1 406 . 1 1 73 73 PRO CB C 13 32.21 0.01 . 1 . . . A 98 PRO CB . 19298 1 407 . 1 1 74 74 GLN H H 1 8.174 0.01 . 1 . . . A 99 GLN H . 19298 1 408 . 1 1 74 74 GLN HA H 1 4.183 0.01 . 1 . . . A 99 GLN HA . 19298 1 409 . 1 1 74 74 GLN C C 13 176.66 0.01 . 1 . . . A 99 GLN C . 19298 1 410 . 1 1 74 74 GLN CA C 13 57.08 0.01 . 1 . . . A 99 GLN CA . 19298 1 411 . 1 1 74 74 GLN CB C 13 28.99 0.01 . 1 . . . A 99 GLN CB . 19298 1 412 . 1 1 74 74 GLN N N 15 120.23 0.01 . 1 . . . A 99 GLN N . 19298 1 413 . 1 1 75 75 THR H H 1 8.241 0.01 . 1 . . . A 100 THR H . 19298 1 414 . 1 1 75 75 THR HA H 1 4.784 0.01 . 1 . . . A 100 THR HA . 19298 1 415 . 1 1 75 75 THR C C 13 174.54 0.01 . 1 . . . A 100 THR C . 19298 1 416 . 1 1 75 75 THR CA C 13 59.87 0.01 . 1 . . . A 100 THR CA . 19298 1 417 . 1 1 75 75 THR CB C 13 71.92 0.01 . 1 . . . A 100 THR CB . 19298 1 418 . 1 1 75 75 THR N N 15 117.08 0.01 . 1 . . . A 100 THR N . 19298 1 419 . 1 1 76 76 LEU H H 1 8.809 0.01 . 1 . . . A 101 LEU H . 19298 1 420 . 1 1 76 76 LEU HA H 1 4.639 0.01 . 1 . . . A 101 LEU HA . 19298 1 421 . 1 1 76 76 LEU C C 13 177.93 0.01 . 1 . . . A 101 LEU C . 19298 1 422 . 1 1 76 76 LEU CA C 13 54.66 0.01 . 1 . . . A 101 LEU CA . 19298 1 423 . 1 1 76 76 LEU CB C 13 44.48 0.01 . 1 . . . A 101 LEU CB . 19298 1 424 . 1 1 76 76 LEU N N 15 120.72 0.01 . 1 . . . A 101 LEU N . 19298 1 425 . 1 1 77 77 ARG H H 1 8.327 0.01 . 1 . . . A 102 ARG H . 19298 1 426 . 1 1 77 77 ARG HA H 1 4.971 0.01 . 1 . . . A 102 ARG HA . 19298 1 427 . 1 1 77 77 ARG C C 13 174.50 0.01 . 1 . . . A 102 ARG C . 19298 1 428 . 1 1 77 77 ARG CA C 13 54.71 0.01 . 1 . . . A 102 ARG CA . 19298 1 429 . 1 1 77 77 ARG CB C 13 32.00 0.01 . 1 . . . A 102 ARG CB . 19298 1 430 . 1 1 77 77 ARG N N 15 124.04 0.01 . 1 . . . A 102 ARG N . 19298 1 431 . 1 1 78 78 LEU H H 1 8.825 0.01 . 1 . . . A 103 LEU H . 19298 1 432 . 1 1 78 78 LEU HA H 1 5.370 0.01 . 1 . . . A 103 LEU HA . 19298 1 433 . 1 1 78 78 LEU C C 13 174.66 0.01 . 1 . . . A 103 LEU C . 19298 1 434 . 1 1 78 78 LEU CA C 13 54.66 0.01 . 1 . . . A 103 LEU CA . 19298 1 435 . 1 1 78 78 LEU CB C 13 44.78 0.01 . 1 . . . A 103 LEU CB . 19298 1 436 . 1 1 78 78 LEU N N 15 125.78 0.01 . 1 . . . A 103 LEU N . 19298 1 437 . 1 1 79 79 GLU H H 1 8.348 0.01 . 1 . . . A 104 GLU H . 19298 1 438 . 1 1 79 79 GLU HA H 1 4.509 0.01 . 1 . . . A 104 GLU HA . 19298 1 439 . 1 1 79 79 GLU C C 13 175.11 0.01 . 1 . . . A 104 GLU C . 19298 1 440 . 1 1 79 79 GLU CA C 13 53.44 0.01 . 1 . . . A 104 GLU CA . 19298 1 441 . 1 1 79 79 GLU CB C 13 34.02 0.01 . 1 . . . A 104 GLU CB . 19298 1 442 . 1 1 79 79 GLU N N 15 119.10 0.01 . 1 . . . A 104 GLU N . 19298 1 443 . 1 1 80 80 PHE H H 1 9.227 0.01 . 1 . . . A 105 PHE H . 19298 1 444 . 1 1 80 80 PHE HA H 1 4.611 0.01 . 1 . . . A 105 PHE HA . 19298 1 445 . 1 1 80 80 PHE C C 13 177.06 0.01 . 1 . . . A 105 PHE C . 19298 1 446 . 1 1 80 80 PHE CA C 13 61.19 0.01 . 1 . . . A 105 PHE CA . 19298 1 447 . 1 1 80 80 PHE CB C 13 39.18 0.01 . 1 . . . A 105 PHE CB . 19298 1 448 . 1 1 80 80 PHE N N 15 121.07 0.01 . 1 . . . A 105 PHE N . 19298 1 449 . 1 1 81 81 ALA H H 1 9.567 0.01 . 1 . . . A 106 ALA H . 19298 1 450 . 1 1 81 81 ALA HA H 1 4.425 0.01 . 1 . . . A 106 ALA HA . 19298 1 451 . 1 1 81 81 ALA C C 13 175.86 0.01 . 1 . . . A 106 ALA C . 19298 1 452 . 1 1 81 81 ALA CA C 13 51.28 0.01 . 1 . . . A 106 ALA CA . 19298 1 453 . 1 1 81 81 ALA CB C 13 19.75 0.01 . 1 . . . A 106 ALA CB . 19298 1 454 . 1 1 81 81 ALA N N 15 124.89 0.01 . 1 . . . A 106 ALA N . 19298 1 455 . 1 1 82 82 LYS H H 1 8.581 0.01 . 1 . . . A 107 LYS H . 19298 1 456 . 1 1 82 82 LYS HA H 1 4.172 0.01 . 1 . . . A 107 LYS HA . 19298 1 457 . 1 1 82 82 LYS C C 13 176.06 0.01 . 1 . . . A 107 LYS C . 19298 1 458 . 1 1 82 82 LYS CA C 13 57.15 0.01 . 1 . . . A 107 LYS CA . 19298 1 459 . 1 1 82 82 LYS CB C 13 32.50 0.01 . 1 . . . A 107 LYS CB . 19298 1 460 . 1 1 82 82 LYS N N 15 117.51 0.01 . 1 . . . A 107 LYS N . 19298 1 461 . 1 1 83 83 ALA H H 1 7.731 0.01 . 1 . . . A 108 ALA H . 19298 1 462 . 1 1 83 83 ALA HA H 1 4.374 0.01 . 1 . . . A 108 ALA HA . 19298 1 463 . 1 1 83 83 ALA C C 13 176.65 0.01 . 1 . . . A 108 ALA C . 19298 1 464 . 1 1 83 83 ALA CA C 13 50.87 0.01 . 1 . . . A 108 ALA CA . 19298 1 465 . 1 1 83 83 ALA CB C 13 21.52 0.01 . 1 . . . A 108 ALA CB . 19298 1 466 . 1 1 83 83 ALA N N 15 118.70 0.01 . 1 . . . A 108 ALA N . 19298 1 467 . 1 1 84 84 ASN H H 1 8.936 0.01 . 1 . . . A 109 ASN H . 19298 1 468 . 1 1 84 84 ASN HA H 1 4.973 0.01 . 1 . . . A 109 ASN HA . 19298 1 469 . 1 1 84 84 ASN C C 13 175.94 0.01 . 1 . . . A 109 ASN C . 19298 1 470 . 1 1 84 84 ASN CA C 13 53.13 0.01 . 1 . . . A 109 ASN CA . 19298 1 471 . 1 1 84 84 ASN CB C 13 38.67 0.01 . 1 . . . A 109 ASN CB . 19298 1 472 . 1 1 84 84 ASN N N 15 116.53 0.01 . 1 . . . A 109 ASN N . 19298 1 473 . 1 1 85 85 THR H H 1 7.437 0.01 . 1 . . . A 110 THR H . 19298 1 474 . 1 1 85 85 THR HA H 1 4.153 0.01 . 1 . . . A 110 THR HA . 19298 1 475 . 1 1 85 85 THR C C 13 173.24 0.01 . 1 . . . A 110 THR C . 19298 1 476 . 1 1 85 85 THR CA C 13 61.99 0.01 . 1 . . . A 110 THR CA . 19298 1 477 . 1 1 85 85 THR CB C 13 69.83 0.01 . 1 . . . A 110 THR CB . 19298 1 478 . 1 1 85 85 THR N N 15 116.26 0.01 . 1 . . . A 110 THR N . 19298 1 479 . 1 1 86 86 LYS H H 1 8.248 0.01 . 1 . . . A 111 LYS H . 19298 1 480 . 1 1 86 86 LYS HA H 1 4.247 0.01 . 1 . . . A 111 LYS HA . 19298 1 481 . 1 1 86 86 LYS C C 13 176.14 0.01 . 1 . . . A 111 LYS C . 19298 1 482 . 1 1 86 86 LYS CA C 13 55.93 0.01 . 1 . . . A 111 LYS CA . 19298 1 483 . 1 1 86 86 LYS CB C 13 32.70 0.01 . 1 . . . A 111 LYS CB . 19298 1 484 . 1 1 86 86 LYS N N 15 124.50 0.01 . 1 . . . A 111 LYS N . 19298 1 485 . 1 1 87 87 MET H H 1 8.290 0.01 . 1 . . . A 112 MET H . 19298 1 486 . 1 1 87 87 MET HA H 1 4.408 0.01 . 1 . . . A 112 MET HA . 19298 1 487 . 1 1 87 87 MET C C 13 175.55 0.01 . 1 . . . A 112 MET C . 19298 1 488 . 1 1 87 87 MET CA C 13 54.78 0.01 . 1 . . . A 112 MET CA . 19298 1 489 . 1 1 87 87 MET CB C 13 33.28 0.01 . 1 . . . A 112 MET CB . 19298 1 490 . 1 1 87 87 MET N N 15 122.00 0.01 . 1 . . . A 112 MET N . 19298 1 491 . 1 1 88 88 ALA H H 1 8.213 0.01 . 1 . . . A 113 ALA H . 19298 1 492 . 1 1 88 88 ALA HA H 1 4.256 0.01 . 1 . . . A 113 ALA HA . 19298 1 493 . 1 1 88 88 ALA C C 13 177.58 0.01 . 1 . . . A 113 ALA C . 19298 1 494 . 1 1 88 88 ALA CA C 13 52.47 0.01 . 1 . . . A 113 ALA CA . 19298 1 495 . 1 1 88 88 ALA CB C 13 19.14 0.01 . 1 . . . A 113 ALA CB . 19298 1 496 . 1 1 88 88 ALA N N 15 125.15 0.01 . 1 . . . A 113 ALA N . 19298 1 497 . 1 1 89 89 LYS H H 1 8.261 0.01 . 1 . . . A 114 LYS H . 19298 1 498 . 1 1 89 89 LYS HA H 1 4.256 0.01 . 1 . . . A 114 LYS HA . 19298 1 499 . 1 1 89 89 LYS C C 13 176.79 0.01 . 1 . . . A 114 LYS C . 19298 1 500 . 1 1 89 89 LYS CA C 13 56.34 0.01 . 1 . . . A 114 LYS CA . 19298 1 501 . 1 1 89 89 LYS CB C 13 32.87 0.01 . 1 . . . A 114 LYS CB . 19298 1 502 . 1 1 89 89 LYS N N 15 120.74 0.01 . 1 . . . A 114 LYS N . 19298 1 503 . 1 1 90 90 SER H H 1 8.268 0.01 . 1 . . . A 115 SER H . 19298 1 504 . 1 1 90 90 SER HA H 1 4.393 0.01 . 1 . . . A 115 SER HA . 19298 1 505 . 1 1 90 90 SER C C 13 174.71 0.01 . 1 . . . A 115 SER C . 19298 1 506 . 1 1 90 90 SER CA C 13 58.41 0.01 . 1 . . . A 115 SER CA . 19298 1 507 . 1 1 90 90 SER CB C 13 63.87 0.01 . 1 . . . A 115 SER CB . 19298 1 508 . 1 1 90 90 SER N N 15 116.78 0.01 . 1 . . . A 115 SER N . 19298 1 509 . 1 1 91 91 LYS H H 1 8.346 0.01 . 1 . . . A 116 LYS H . 19298 1 510 . 1 1 91 91 LYS HA H 1 4.291 0.01 . 1 . . . A 116 LYS HA . 19298 1 511 . 1 1 91 91 LYS C C 13 176.40 0.01 . 1 . . . A 116 LYS C . 19298 1 512 . 1 1 91 91 LYS CA C 13 56.33 0.01 . 1 . . . A 116 LYS CA . 19298 1 513 . 1 1 91 91 LYS CB C 13 32.71 0.01 . 1 . . . A 116 LYS CB . 19298 1 514 . 1 1 91 91 LYS N N 15 123.21 0.01 . 1 . . . A 116 LYS N . 19298 1 515 . 1 1 92 92 LEU H H 1 8.093 0.01 . 1 . . . A 117 LEU H . 19298 1 516 . 1 1 92 92 LEU HA H 1 4.276 0.01 . 1 . . . A 117 LEU HA . 19298 1 517 . 1 1 92 92 LEU C C 13 177.08 0.01 . 1 . . . A 117 LEU C . 19298 1 518 . 1 1 92 92 LEU CA C 13 55.05 0.01 . 1 . . . A 117 LEU CA . 19298 1 519 . 1 1 92 92 LEU CB C 13 42.21 0.01 . 1 . . . A 117 LEU CB . 19298 1 520 . 1 1 92 92 LEU N N 15 122.47 0.01 . 1 . . . A 117 LEU N . 19298 1 521 . 1 1 93 93 GLU H H 1 8.202 0.01 . 1 . . . A 118 GLU H . 19298 1 522 . 1 1 93 93 GLU CA C 13 56.40 0.01 . 1 . . . A 118 GLU CA . 19298 1 523 . 1 1 93 93 GLU N N 15 121.50 0.01 . 1 . . . A 118 GLU N . 19298 1 stop_ save_