data_26902 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26902 _Entry.Title ; Backbone chemical shift assignment of the N-terminal domain of the phosphoprotein of Respiratory Syncytial Virus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-09-22 _Entry.Accession_date 2016-09-22 _Entry.Last_release_date 2016-09-22 _Entry.Original_release_date 2016-09-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Backbone chemical shift assignment of the N-terminal domain of the phosphoprotein of human Respiratory Syncytial Virus.' _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.ORCID _Entry_author.Entry_ID 1 Safa Lassoued . . . . 26902 2 Nelson Pereira . . . . 26902 3 Jenna Fix . . . . 26902 4 Marie Galloux . . . . 26902 5 Jean-Francois Eleouet . . . . 26902 6 Christina Sizun . . . . 26902 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 'not applicable' 'not applicable' . 26902 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . CNRS-ICSN . 26902 2 . INRA-VIM . 26902 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26902 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 311 26902 '15N chemical shifts' 119 26902 '1H chemical shifts' 234 26902 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 . . 2017-02-15 . original BMRB . 26902 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26903 P_delta[122-160] 26902 BMRB 26904 P1-163_tetramer 26902 BMRB 26905 P-S23C_tetramer 26902 BMRB 26906 P-CTD 26902 EMBL M22644 'Genomic RNA sequence' 26902 SP P12579 'Protein sequence' 26902 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26902 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28031463 _Citation.Full_citation . _Citation.Title ; New Insights into Structural Disorder in Human Respiratory Syncytial Virus Phosphoprotein and Implications for Binding of Protein Partners ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 292 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2120 _Citation.Page_last 2131 _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 Nelson Pereira . . . . 26902 1 2 Christophe Cardone . . . . 26902 1 3 Safa Lassoued . . . . 26902 1 4 Marie Galloux . . . . 26902 1 5 Jenna Fix . . . . 26902 1 6 Nadine Assrir . . . . 26902 1 7 Ewen Lescop . . . . 26902 1 8 Francois Bontems . . . . 26902 1 9 Jean-Francois Eleouet . . . . 26902 1 10 Christina Sizun . . . . 26902 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Intrinsically Disordered Protein' 26902 1 Phosphoprotein 26902 1 'RNA Polymerase' 26902 1 'Respiratory Syncytial Virus' 26902 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26902 _Assembly.ID 1 _Assembly.Name P1-126 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _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 'not present' _Assembly.Molecular_mass 14476.6662 _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 P1-126 1 $P1-126 A . yes native no no . . . 26902 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_P1-126 _Entity.Sf_category entity _Entity.Sf_framecode P1-126 _Entity.Entry_ID 26902 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name P1-126 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSMEKFAPEFHGEDANNRAT KFLESIKGKFTSPKDPKKKD SIISVNSIDIEVTKESPITS NSTIINPTNETDDNAGNKPN YQRKPLVSFKEDPIPSDNPF SKLYKETIETFDNNEEESSY SYEEINDQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; P1-126 is a phosphoprotein fragment that contains residues M1-Q126 and two N-terminal residues (GS) that are left over from a cleaved GST-tag. ; _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 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'N-terminal domain of hRSV phosphoprotein' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14476.6662 _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 UniProt P12579 . P12579 . . . . . . . . . . . . . . 26902 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'co-factor of hRSV RNA dependent RNA polymerase' 26902 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -1 GLY . 26902 1 2 0 SER . 26902 1 3 1 MET . 26902 1 4 2 GLU . 26902 1 5 3 LYS . 26902 1 6 4 PHE . 26902 1 7 5 ALA . 26902 1 8 6 PRO . 26902 1 9 7 GLU . 26902 1 10 8 PHE . 26902 1 11 9 HIS . 26902 1 12 10 GLY . 26902 1 13 11 GLU . 26902 1 14 12 ASP . 26902 1 15 13 ALA . 26902 1 16 14 ASN . 26902 1 17 15 ASN . 26902 1 18 16 ARG . 26902 1 19 17 ALA . 26902 1 20 18 THR . 26902 1 21 19 LYS . 26902 1 22 20 PHE . 26902 1 23 21 LEU . 26902 1 24 22 GLU . 26902 1 25 23 SER . 26902 1 26 24 ILE . 26902 1 27 25 LYS . 26902 1 28 26 GLY . 26902 1 29 27 LYS . 26902 1 30 28 PHE . 26902 1 31 29 THR . 26902 1 32 30 SER . 26902 1 33 31 PRO . 26902 1 34 32 LYS . 26902 1 35 33 ASP . 26902 1 36 34 PRO . 26902 1 37 35 LYS . 26902 1 38 36 LYS . 26902 1 39 37 LYS . 26902 1 40 38 ASP . 26902 1 41 39 SER . 26902 1 42 40 ILE . 26902 1 43 41 ILE . 26902 1 44 42 SER . 26902 1 45 43 VAL . 26902 1 46 44 ASN . 26902 1 47 45 SER . 26902 1 48 46 ILE . 26902 1 49 47 ASP . 26902 1 50 48 ILE . 26902 1 51 49 GLU . 26902 1 52 50 VAL . 26902 1 53 51 THR . 26902 1 54 52 LYS . 26902 1 55 53 GLU . 26902 1 56 54 SER . 26902 1 57 55 PRO . 26902 1 58 56 ILE . 26902 1 59 57 THR . 26902 1 60 58 SER . 26902 1 61 59 ASN . 26902 1 62 60 SER . 26902 1 63 61 THR . 26902 1 64 62 ILE . 26902 1 65 63 ILE . 26902 1 66 64 ASN . 26902 1 67 65 PRO . 26902 1 68 66 THR . 26902 1 69 67 ASN . 26902 1 70 68 GLU . 26902 1 71 69 THR . 26902 1 72 70 ASP . 26902 1 73 71 ASP . 26902 1 74 72 ASN . 26902 1 75 73 ALA . 26902 1 76 74 GLY . 26902 1 77 75 ASN . 26902 1 78 76 LYS . 26902 1 79 77 PRO . 26902 1 80 78 ASN . 26902 1 81 79 TYR . 26902 1 82 80 GLN . 26902 1 83 81 ARG . 26902 1 84 82 LYS . 26902 1 85 83 PRO . 26902 1 86 84 LEU . 26902 1 87 85 VAL . 26902 1 88 86 SER . 26902 1 89 87 PHE . 26902 1 90 88 LYS . 26902 1 91 89 GLU . 26902 1 92 90 ASP . 26902 1 93 91 PRO . 26902 1 94 92 ILE . 26902 1 95 93 PRO . 26902 1 96 94 SER . 26902 1 97 95 ASP . 26902 1 98 96 ASN . 26902 1 99 97 PRO . 26902 1 100 98 PHE . 26902 1 101 99 SER . 26902 1 102 100 LYS . 26902 1 103 101 LEU . 26902 1 104 102 TYR . 26902 1 105 103 LYS . 26902 1 106 104 GLU . 26902 1 107 105 THR . 26902 1 108 106 ILE . 26902 1 109 107 GLU . 26902 1 110 108 THR . 26902 1 111 109 PHE . 26902 1 112 110 ASP . 26902 1 113 111 ASN . 26902 1 114 112 ASN . 26902 1 115 113 GLU . 26902 1 116 114 GLU . 26902 1 117 115 GLU . 26902 1 118 116 SER . 26902 1 119 117 SER . 26902 1 120 118 TYR . 26902 1 121 119 SER . 26902 1 122 120 TYR . 26902 1 123 121 GLU . 26902 1 124 122 GLU . 26902 1 125 123 ILE . 26902 1 126 124 ASN . 26902 1 127 125 ASP . 26902 1 128 126 GLN . 26902 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 26902 1 . SER 2 2 26902 1 . MET 3 3 26902 1 . GLU 4 4 26902 1 . LYS 5 5 26902 1 . PHE 6 6 26902 1 . ALA 7 7 26902 1 . PRO 8 8 26902 1 . GLU 9 9 26902 1 . PHE 10 10 26902 1 . HIS 11 11 26902 1 . GLY 12 12 26902 1 . GLU 13 13 26902 1 . ASP 14 14 26902 1 . ALA 15 15 26902 1 . ASN 16 16 26902 1 . ASN 17 17 26902 1 . ARG 18 18 26902 1 . ALA 19 19 26902 1 . THR 20 20 26902 1 . LYS 21 21 26902 1 . PHE 22 22 26902 1 . LEU 23 23 26902 1 . GLU 24 24 26902 1 . SER 25 25 26902 1 . ILE 26 26 26902 1 . LYS 27 27 26902 1 . GLY 28 28 26902 1 . LYS 29 29 26902 1 . PHE 30 30 26902 1 . THR 31 31 26902 1 . SER 32 32 26902 1 . PRO 33 33 26902 1 . LYS 34 34 26902 1 . ASP 35 35 26902 1 . PRO 36 36 26902 1 . LYS 37 37 26902 1 . LYS 38 38 26902 1 . LYS 39 39 26902 1 . ASP 40 40 26902 1 . SER 41 41 26902 1 . ILE 42 42 26902 1 . ILE 43 43 26902 1 . SER 44 44 26902 1 . VAL 45 45 26902 1 . ASN 46 46 26902 1 . SER 47 47 26902 1 . ILE 48 48 26902 1 . ASP 49 49 26902 1 . ILE 50 50 26902 1 . GLU 51 51 26902 1 . VAL 52 52 26902 1 . THR 53 53 26902 1 . LYS 54 54 26902 1 . GLU 55 55 26902 1 . SER 56 56 26902 1 . PRO 57 57 26902 1 . ILE 58 58 26902 1 . THR 59 59 26902 1 . SER 60 60 26902 1 . ASN 61 61 26902 1 . SER 62 62 26902 1 . THR 63 63 26902 1 . ILE 64 64 26902 1 . ILE 65 65 26902 1 . ASN 66 66 26902 1 . PRO 67 67 26902 1 . THR 68 68 26902 1 . ASN 69 69 26902 1 . GLU 70 70 26902 1 . THR 71 71 26902 1 . ASP 72 72 26902 1 . ASP 73 73 26902 1 . ASN 74 74 26902 1 . ALA 75 75 26902 1 . GLY 76 76 26902 1 . ASN 77 77 26902 1 . LYS 78 78 26902 1 . PRO 79 79 26902 1 . ASN 80 80 26902 1 . TYR 81 81 26902 1 . GLN 82 82 26902 1 . ARG 83 83 26902 1 . LYS 84 84 26902 1 . PRO 85 85 26902 1 . LEU 86 86 26902 1 . VAL 87 87 26902 1 . SER 88 88 26902 1 . PHE 89 89 26902 1 . LYS 90 90 26902 1 . GLU 91 91 26902 1 . ASP 92 92 26902 1 . PRO 93 93 26902 1 . ILE 94 94 26902 1 . PRO 95 95 26902 1 . SER 96 96 26902 1 . ASP 97 97 26902 1 . ASN 98 98 26902 1 . PRO 99 99 26902 1 . PHE 100 100 26902 1 . SER 101 101 26902 1 . LYS 102 102 26902 1 . LEU 103 103 26902 1 . TYR 104 104 26902 1 . LYS 105 105 26902 1 . GLU 106 106 26902 1 . THR 107 107 26902 1 . ILE 108 108 26902 1 . GLU 109 109 26902 1 . THR 110 110 26902 1 . PHE 111 111 26902 1 . ASP 112 112 26902 1 . ASN 113 113 26902 1 . ASN 114 114 26902 1 . GLU 115 115 26902 1 . GLU 116 116 26902 1 . GLU 117 117 26902 1 . SER 118 118 26902 1 . SER 119 119 26902 1 . TYR 120 120 26902 1 . SER 121 121 26902 1 . TYR 122 122 26902 1 . GLU 123 123 26902 1 . GLU 124 124 26902 1 . ILE 125 125 26902 1 . ASN 126 126 26902 1 . ASP 127 127 26902 1 . GLN 128 128 26902 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 26902 _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 $P1-126 . 11250 organism . 'Human respiratory syncytial virus' 'human RSV' . . Viruses . Orthopneumovirus HRSV Long . . . . . . . . . . . . 26902 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 26902 _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 $P1-126 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE3) . . . . . pGEX . . . 26902 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_P1-126 _Sample.Sf_category sample _Sample.Sf_framecode sample_P1-126 _Sample.Entry_ID 26902 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 P1-126 '[U-13C; U-15N]' . . 1 $P1-126 . . 0.05 . . mM 5e-06 . . . 26902 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20.00 . . mM 0.002 . . . 26902 1 3 'sodium chloride' 'natural abundance' . . . . . . 100.00 . . mM 0.01 . . . 26902 1 stop_ save_ ####################### # Sample conditions # ####################### save_CondSet1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode CondSet1 _Sample_condition_list.Entry_ID 26902 _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' 0.100 0.01 M 26902 1 pH 6.500 0.10 pH 26902 1 pressure 1.000 0.01 atm 26902 1 temperature 288.000 0.20 K 26902 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 26902 _Software.ID 1 _Software.Name CcpNmr_Analysis _Software.Version 2.2 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26902 1 CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 26902 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26902 1 collection 26902 1 'data analysis' 26902 1 'peak picking' 26902 1 processing 26902 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz _NMR_spectrometer.Entry_ID 26902 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26902 _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 600MHz Bruker Avance . 600 . . . 26902 1 stop_ save_ save_CRP600 _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode CRP600 _NMR_spectrometer_probe.Entry_ID 26902 _NMR_spectrometer_probe.ID 1 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Bruker _NMR_spectrometer_probe.Model 'TCN cryoprobe' _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter . _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 26902 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 26902 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_P1-126 isotropic . . 1 $CondSet1 . . . 1 $600MHz 1 $CRP600 . . . . . . . . . . . . . . 26902 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_P1-126 isotropic . . 1 $CondSet1 . . . 1 $600MHz 1 $CRP600 . . . . . . . . . . . . . . 26902 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_P1-126 isotropic . . 1 $CondSet1 . . . 1 $600MHz 1 $CRP600 . . . . . . . . . . . . . . 26902 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_P1-126 isotropic . . 1 $CondSet1 . . . 1 $600MHz 1 $CRP600 . . . . . . . . . . . . . . 26902 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_P1-126 isotropic . . 1 $CondSet1 . . . 1 $600MHz 1 $CRP600 . . . . . . . . . . . . . . 26902 1 6 '3D HNHA' no . . . . . . . . . . 1 $sample_P1-126 isotropic . . 1 $CondSet1 . . . 1 $600MHz 1 $CRP600 . . . . . . . . . . . . . . 26902 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 26902 _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 . . . . . 26902 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26902 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26902 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 26902 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $CondSet1 _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_P1-126 isotropic 26902 1 2 '3D HNCO' 1 $sample_P1-126 isotropic 26902 1 3 '3D HNCA' 1 $sample_P1-126 isotropic 26902 1 4 '3D HN(CO)CA' 1 $sample_P1-126 isotropic 26902 1 5 '3D HNCACB' 1 $sample_P1-126 isotropic 26902 1 6 '3D HNHA' 1 $sample_P1-126 isotropic 26902 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 26902 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 SER C C 13 174.52 0.20 . 1 . . 1 . 0 SER C . 26902 1 2 . 1 1 2 2 SER CA C 13 58.31 0.20 . 1 . . 1 . 0 SER CA . 26902 1 3 . 1 1 3 3 MET H H 1 8.68 0.01 . 1 . . 1 . 1 MET H . 26902 1 4 . 1 1 3 3 MET C C 13 176.08 0.20 . 1 . . 1 . 1 MET C . 26902 1 5 . 1 1 3 3 MET CA C 13 55.35 0.20 . 1 . . 1 . 1 MET CA . 26902 1 6 . 1 1 3 3 MET N N 15 122.14 0.15 . 1 . . 1 . 1 MET N . 26902 1 7 . 1 1 4 4 GLU H H 1 8.43 0.01 . 1 . . 1 . 2 GLU H . 26902 1 8 . 1 1 4 4 GLU HA H 1 4.22 0.01 . 1 . . 1 . 2 GLU HA . 26902 1 9 . 1 1 4 4 GLU C C 13 175.98 0.20 . 1 . . 1 . 2 GLU C . 26902 1 10 . 1 1 4 4 GLU CA C 13 56.60 0.20 . 1 . . 1 . 2 GLU CA . 26902 1 11 . 1 1 4 4 GLU CB C 13 29.95 0.20 . 1 . . 1 . 2 GLU CB . 26902 1 12 . 1 1 4 4 GLU N N 15 122.20 0.15 . 1 . . 1 . 2 GLU N . 26902 1 13 . 1 1 5 5 LYS H H 1 8.30 0.01 . 1 . . 1 . 3 LYS H . 26902 1 14 . 1 1 5 5 LYS HA H 1 4.21 0.01 . 1 . . 1 . 3 LYS HA . 26902 1 15 . 1 1 5 5 LYS C C 13 175.77 0.20 . 1 . . 1 . 3 LYS C . 26902 1 16 . 1 1 5 5 LYS CA C 13 55.97 0.20 . 1 . . 1 . 3 LYS CA . 26902 1 17 . 1 1 5 5 LYS CB C 13 32.52 0.20 . 1 . . 1 . 3 LYS CB . 26902 1 18 . 1 1 5 5 LYS N N 15 121.89 0.15 . 1 . . 1 . 3 LYS N . 26902 1 19 . 1 1 6 6 PHE H H 1 8.25 0.01 . 1 . . 1 . 4 PHE H . 26902 1 20 . 1 1 6 6 PHE HA H 1 4.62 0.01 . 1 . . 1 . 4 PHE HA . 26902 1 21 . 1 1 6 6 PHE C C 13 174.68 0.20 . 1 . . 1 . 4 PHE C . 26902 1 22 . 1 1 6 6 PHE CA C 13 57.05 0.20 . 1 . . 1 . 4 PHE CA . 26902 1 23 . 1 1 6 6 PHE CB C 13 39.47 0.20 . 1 . . 1 . 4 PHE CB . 26902 1 24 . 1 1 6 6 PHE N N 15 121.05 0.15 . 1 . . 1 . 4 PHE N . 26902 1 25 . 1 1 7 7 ALA H H 1 8.26 0.01 . 1 . . 1 . 5 ALA H . 26902 1 26 . 1 1 7 7 ALA HA H 1 4.58 0.01 . 1 . . 1 . 5 ALA HA . 26902 1 27 . 1 1 7 7 ALA CA C 13 50.03 0.20 . 1 . . 1 . 5 ALA CA . 26902 1 28 . 1 1 7 7 ALA CB C 13 18.24 0.20 . 1 . . 1 . 5 ALA CB . 26902 1 29 . 1 1 7 7 ALA N N 15 127.17 0.15 . 1 . . 1 . 5 ALA N . 26902 1 30 . 1 1 8 8 PRO C C 13 176.62 0.20 . 1 . . 1 . 6 PRO C . 26902 1 31 . 1 1 8 8 PRO CA C 13 62.98 0.20 . 1 . . 1 . 6 PRO CA . 26902 1 32 . 1 1 9 9 GLU H H 1 8.58 0.01 . 1 . . 1 . 7 GLU H . 26902 1 33 . 1 1 9 9 GLU HA H 1 4.17 0.01 . 1 . . 1 . 7 GLU HA . 26902 1 34 . 1 1 9 9 GLU C C 13 175.74 0.20 . 1 . . 1 . 7 GLU C . 26902 1 35 . 1 1 9 9 GLU CA C 13 56.32 0.20 . 1 . . 1 . 7 GLU CA . 26902 1 36 . 1 1 9 9 GLU CB C 13 29.86 0.20 . 1 . . 1 . 7 GLU CB . 26902 1 37 . 1 1 9 9 GLU N N 15 120.15 0.15 . 1 . . 1 . 7 GLU N . 26902 1 38 . 1 1 10 10 PHE H H 1 8.29 0.01 . 1 . . 1 . 8 PHE H . 26902 1 39 . 1 1 10 10 PHE HA H 1 4.60 0.01 . 1 . . 1 . 8 PHE HA . 26902 1 40 . 1 1 10 10 PHE CA C 13 57.40 0.20 . 1 . . 1 . 8 PHE CA . 26902 1 41 . 1 1 10 10 PHE N N 15 121.41 0.15 . 1 . . 1 . 8 PHE N . 26902 1 42 . 1 1 11 11 HIS H H 1 8.48 0.01 . 1 . . 1 . 9 HIS H . 26902 1 43 . 1 1 11 11 HIS C C 13 174.57 0.20 . 1 . . 1 . 9 HIS C . 26902 1 44 . 1 1 11 11 HIS CA C 13 55.12 0.20 . 1 . . 1 . 9 HIS CA . 26902 1 45 . 1 1 11 11 HIS N N 15 121.92 0.15 . 1 . . 1 . 9 HIS N . 26902 1 46 . 1 1 12 12 GLY H H 1 7.85 0.01 . 1 . . 1 . 10 GLY H . 26902 1 47 . 1 1 12 12 GLY HA2 H 1 3.89 0.01 . 1 . . 1 . 10 GLY HA2 . 26902 1 48 . 1 1 12 12 GLY HA3 H 1 3.89 0.01 . 1 . . 1 . 10 GLY HA3 . 26902 1 49 . 1 1 12 12 GLY C C 13 173.83 0.20 . 1 . . 1 . 10 GLY C . 26902 1 50 . 1 1 12 12 GLY CA C 13 45.09 0.20 . 1 . . 1 . 10 GLY CA . 26902 1 51 . 1 1 12 12 GLY N N 15 109.49 0.15 . 1 . . 1 . 10 GLY N . 26902 1 52 . 1 1 13 13 GLU H H 1 8.57 0.01 . 1 . . 1 . 11 GLU H . 26902 1 53 . 1 1 13 13 GLU HA H 1 4.28 0.01 . 1 . . 1 . 11 GLU HA . 26902 1 54 . 1 1 13 13 GLU C C 13 176.26 0.20 . 1 . . 1 . 11 GLU C . 26902 1 55 . 1 1 13 13 GLU CA C 13 56.58 0.20 . 1 . . 1 . 11 GLU CA . 26902 1 56 . 1 1 13 13 GLU CB C 13 29.76 0.20 . 1 . . 1 . 11 GLU CB . 26902 1 57 . 1 1 13 13 GLU N N 15 120.72 0.15 . 1 . . 1 . 11 GLU N . 26902 1 58 . 1 1 14 14 ASP H H 1 8.49 0.01 . 1 . . 1 . 12 ASP H . 26902 1 59 . 1 1 14 14 ASP HA H 1 4.56 0.01 . 1 . . 1 . 12 ASP HA . 26902 1 60 . 1 1 14 14 ASP C C 13 176.42 0.20 . 1 . . 1 . 12 ASP C . 26902 1 61 . 1 1 14 14 ASP CA C 13 54.19 0.20 . 1 . . 1 . 12 ASP CA . 26902 1 62 . 1 1 14 14 ASP CB C 13 41.02 0.20 . 1 . . 1 . 12 ASP CB . 26902 1 63 . 1 1 14 14 ASP N N 15 121.39 0.15 . 1 . . 1 . 12 ASP N . 26902 1 64 . 1 1 15 15 ALA H H 1 8.37 0.01 . 1 . . 1 . 13 ALA H . 26902 1 65 . 1 1 15 15 ALA HA H 1 4.16 0.01 . 1 . . 1 . 13 ALA HA . 26902 1 66 . 1 1 15 15 ALA C C 13 178.14 0.20 . 1 . . 1 . 13 ALA C . 26902 1 67 . 1 1 15 15 ALA CA C 13 53.39 0.20 . 1 . . 1 . 13 ALA CA . 26902 1 68 . 1 1 15 15 ALA CB C 13 18.80 0.20 . 1 . . 1 . 13 ALA CB . 26902 1 69 . 1 1 15 15 ALA N N 15 124.36 0.15 . 1 . . 1 . 13 ALA N . 26902 1 70 . 1 1 16 16 ASN H H 1 8.43 0.01 . 1 . . 1 . 14 ASN H . 26902 1 71 . 1 1 16 16 ASN HA H 1 4.64 0.01 . 1 . . 1 . 14 ASN HA . 26902 1 72 . 1 1 16 16 ASN HD21 H 1 7.78 0.01 . 1 . . 1 . 14 ASN HD21 . 26902 1 73 . 1 1 16 16 ASN HD22 H 1 6.99 0.01 . 1 . . 1 . 14 ASN HD22 . 26902 1 74 . 1 1 16 16 ASN C C 13 175.33 0.20 . 1 . . 1 . 14 ASN C . 26902 1 75 . 1 1 16 16 ASN CA C 13 53.66 0.20 . 1 . . 1 . 14 ASN CA . 26902 1 76 . 1 1 16 16 ASN CB C 13 38.33 0.20 . 1 . . 1 . 14 ASN CB . 26902 1 77 . 1 1 16 16 ASN N N 15 116.23 0.15 . 1 . . 1 . 14 ASN N . 26902 1 78 . 1 1 16 16 ASN ND2 N 15 113.50 0.15 . 1 . . 1 . 14 ASN ND2 . 26902 1 79 . 1 1 17 17 ASN H H 1 8.22 0.01 . 1 . . 1 . 15 ASN H . 26902 1 80 . 1 1 17 17 ASN HA H 1 4.65 0.01 . 1 . . 1 . 15 ASN HA . 26902 1 81 . 1 1 17 17 ASN HD22 H 1 7.76 0.01 . 1 . . 1 . 15 ASN HD22 . 26902 1 82 . 1 1 17 17 ASN C C 13 175.42 0.20 . 1 . . 1 . 15 ASN C . 26902 1 83 . 1 1 17 17 ASN CA C 13 53.55 0.20 . 1 . . 1 . 15 ASN CA . 26902 1 84 . 1 1 17 17 ASN CB C 13 38.33 0.20 . 1 . . 1 . 15 ASN CB . 26902 1 85 . 1 1 17 17 ASN N N 15 118.73 0.15 . 1 . . 1 . 15 ASN N . 26902 1 86 . 1 1 17 17 ASN ND2 N 15 112.83 0.15 . 1 . . 1 . 15 ASN ND2 . 26902 1 87 . 1 1 18 18 ARG H H 1 8.23 0.01 . 1 . . 1 . 16 ARG H . 26902 1 88 . 1 1 18 18 ARG HA H 1 4.23 0.01 . 1 . . 1 . 16 ARG HA . 26902 1 89 . 1 1 18 18 ARG C C 13 176.51 0.20 . 1 . . 1 . 16 ARG C . 26902 1 90 . 1 1 18 18 ARG CA C 13 56.78 0.20 . 1 . . 1 . 16 ARG CA . 26902 1 91 . 1 1 18 18 ARG CB C 13 30.32 0.20 . 1 . . 1 . 16 ARG CB . 26902 1 92 . 1 1 18 18 ARG N N 15 120.66 0.15 . 1 . . 1 . 16 ARG N . 26902 1 93 . 1 1 19 19 ALA H H 1 8.31 0.01 . 1 . . 1 . 17 ALA H . 26902 1 94 . 1 1 19 19 ALA HA H 1 4.33 0.01 . 1 . . 1 . 17 ALA HA . 26902 1 95 . 1 1 19 19 ALA C C 13 178.30 0.20 . 1 . . 1 . 17 ALA C . 26902 1 96 . 1 1 19 19 ALA CA C 13 53.02 0.20 . 1 . . 1 . 17 ALA CA . 26902 1 97 . 1 1 19 19 ALA CB C 13 18.66 0.20 . 1 . . 1 . 17 ALA CB . 26902 1 98 . 1 1 19 19 ALA N N 15 123.70 0.15 . 1 . . 1 . 17 ALA N . 26902 1 99 . 1 1 20 20 THR H H 1 8.09 0.01 . 1 . . 1 . 18 THR H . 26902 1 100 . 1 1 20 20 THR HA H 1 4.20 0.01 . 1 . . 1 . 18 THR HA . 26902 1 101 . 1 1 20 20 THR C C 13 174.77 0.20 . 1 . . 1 . 18 THR C . 26902 1 102 . 1 1 20 20 THR CA C 13 62.75 0.20 . 1 . . 1 . 18 THR CA . 26902 1 103 . 1 1 20 20 THR CB C 13 69.38 0.20 . 1 . . 1 . 18 THR CB . 26902 1 104 . 1 1 20 20 THR N N 15 113.35 0.15 . 1 . . 1 . 18 THR N . 26902 1 105 . 1 1 21 21 LYS H H 1 8.21 0.01 . 1 . . 1 . 19 LYS H . 26902 1 106 . 1 1 21 21 LYS HA H 1 4.23 0.01 . 1 . . 1 . 19 LYS HA . 26902 1 107 . 1 1 21 21 LYS C C 13 176.64 0.20 . 1 . . 1 . 19 LYS C . 26902 1 108 . 1 1 21 21 LYS CA C 13 56.82 0.20 . 1 . . 1 . 19 LYS CA . 26902 1 109 . 1 1 21 21 LYS N N 15 122.81 0.15 . 1 . . 1 . 19 LYS N . 26902 1 110 . 1 1 22 22 PHE H H 1 8.23 0.01 . 1 . . 1 . 20 PHE H . 26902 1 111 . 1 1 22 22 PHE HA H 1 4.54 0.01 . 1 . . 1 . 20 PHE HA . 26902 1 112 . 1 1 22 22 PHE C C 13 176.02 0.20 . 1 . . 1 . 20 PHE C . 26902 1 113 . 1 1 22 22 PHE CA C 13 58.34 0.20 . 1 . . 1 . 20 PHE CA . 26902 1 114 . 1 1 22 22 PHE CB C 13 39.20 0.20 . 1 . . 1 . 20 PHE CB . 26902 1 115 . 1 1 22 22 PHE N N 15 120.90 0.15 . 1 . . 1 . 20 PHE N . 26902 1 116 . 1 1 23 23 LEU H H 1 8.16 0.01 . 1 . . 1 . 21 LEU H . 26902 1 117 . 1 1 23 23 LEU HA H 1 4.21 0.01 . 1 . . 1 . 21 LEU HA . 26902 1 118 . 1 1 23 23 LEU C C 13 177.40 0.20 . 1 . . 1 . 21 LEU C . 26902 1 119 . 1 1 23 23 LEU CA C 13 55.51 0.20 . 1 . . 1 . 21 LEU CA . 26902 1 120 . 1 1 23 23 LEU CB C 13 41.92 0.20 . 1 . . 1 . 21 LEU CB . 26902 1 121 . 1 1 23 23 LEU N N 15 122.86 0.15 . 1 . . 1 . 21 LEU N . 26902 1 122 . 1 1 24 24 GLU H H 1 8.31 0.01 . 1 . . 1 . 22 GLU H . 26902 1 123 . 1 1 24 24 GLU HA H 1 4.19 0.01 . 1 . . 1 . 22 GLU HA . 26902 1 124 . 1 1 24 24 GLU C C 13 176.80 0.20 . 1 . . 1 . 22 GLU C . 26902 1 125 . 1 1 24 24 GLU CA C 13 56.96 0.20 . 1 . . 1 . 22 GLU CA . 26902 1 126 . 1 1 24 24 GLU CB C 13 29.79 0.20 . 1 . . 1 . 22 GLU CB . 26902 1 127 . 1 1 24 24 GLU N N 15 120.76 0.15 . 1 . . 1 . 22 GLU N . 26902 1 128 . 1 1 25 25 SER H H 1 8.24 0.01 . 1 . . 1 . 23 SER H . 26902 1 129 . 1 1 25 25 SER HA H 1 4.41 0.01 . 1 . . 1 . 23 SER HA . 26902 1 130 . 1 1 25 25 SER C C 13 174.66 0.20 . 1 . . 1 . 23 SER C . 26902 1 131 . 1 1 25 25 SER CA C 13 58.66 0.20 . 1 . . 1 . 23 SER CA . 26902 1 132 . 1 1 25 25 SER CB C 13 63.59 0.20 . 1 . . 1 . 23 SER CB . 26902 1 133 . 1 1 25 25 SER N N 15 116.25 0.15 . 1 . . 1 . 23 SER N . 26902 1 134 . 1 1 26 26 ILE H H 1 7.98 0.01 . 1 . . 1 . 24 ILE H . 26902 1 135 . 1 1 26 26 ILE HA H 1 4.17 0.01 . 1 . . 1 . 24 ILE HA . 26902 1 136 . 1 1 26 26 ILE C C 13 176.32 0.20 . 1 . . 1 . 24 ILE C . 26902 1 137 . 1 1 26 26 ILE CA C 13 61.30 0.20 . 1 . . 1 . 24 ILE CA . 26902 1 138 . 1 1 26 26 ILE N N 15 121.56 0.15 . 1 . . 1 . 24 ILE N . 26902 1 139 . 1 1 27 27 LYS H H 1 8.26 0.01 . 1 . . 1 . 25 LYS H . 26902 1 140 . 1 1 27 27 LYS HA H 1 4.28 0.01 . 1 . . 1 . 25 LYS HA . 26902 1 141 . 1 1 27 27 LYS C C 13 177.00 0.20 . 1 . . 1 . 25 LYS C . 26902 1 142 . 1 1 27 27 LYS CA C 13 56.60 0.20 . 1 . . 1 . 25 LYS CA . 26902 1 143 . 1 1 27 27 LYS CB C 13 32.45 0.20 . 1 . . 1 . 25 LYS CB . 26902 1 144 . 1 1 27 27 LYS N N 15 124.37 0.15 . 1 . . 1 . 25 LYS N . 26902 1 145 . 1 1 28 28 GLY H H 1 8.38 0.01 . 1 . . 1 . 26 GLY H . 26902 1 146 . 1 1 28 28 GLY HA2 H 1 3.92 0.01 . 1 . . 1 . 26 GLY HA2 . 26902 1 147 . 1 1 28 28 GLY HA3 H 1 3.92 0.01 . 1 . . 1 . 26 GLY HA3 . 26902 1 148 . 1 1 28 28 GLY C C 13 173.62 0.20 . 1 . . 1 . 26 GLY C . 26902 1 149 . 1 1 28 28 GLY CA C 13 44.98 0.20 . 1 . . 1 . 26 GLY CA . 26902 1 150 . 1 1 28 28 GLY N N 15 109.61 0.15 . 1 . . 1 . 26 GLY N . 26902 1 151 . 1 1 29 29 LYS H H 1 8.05 0.01 . 1 . . 1 . 27 LYS H . 26902 1 152 . 1 1 29 29 LYS HA H 1 4.27 0.01 . 1 . . 1 . 27 LYS HA . 26902 1 153 . 1 1 29 29 LYS C C 13 176.02 0.20 . 1 . . 1 . 27 LYS C . 26902 1 154 . 1 1 29 29 LYS CA C 13 56.01 0.20 . 1 . . 1 . 27 LYS CA . 26902 1 155 . 1 1 29 29 LYS N N 15 120.42 0.15 . 1 . . 1 . 27 LYS N . 26902 1 156 . 1 1 30 30 PHE H H 1 8.38 0.01 . 1 . . 1 . 28 PHE H . 26902 1 157 . 1 1 30 30 PHE HA H 1 4.74 0.01 . 1 . . 1 . 28 PHE HA . 26902 1 158 . 1 1 30 30 PHE C C 13 175.51 0.20 . 1 . . 1 . 28 PHE C . 26902 1 159 . 1 1 30 30 PHE CA C 13 57.28 0.20 . 1 . . 1 . 28 PHE CA . 26902 1 160 . 1 1 30 30 PHE N N 15 121.21 0.15 . 1 . . 1 . 28 PHE N . 26902 1 161 . 1 1 31 31 THR H H 1 8.14 0.01 . 1 . . 1 . 29 THR H . 26902 1 162 . 1 1 31 31 THR HA H 1 4.33 0.01 . 1 . . 1 . 29 THR HA . 26902 1 163 . 1 1 31 31 THR C C 13 173.55 0.20 . 1 . . 1 . 29 THR C . 26902 1 164 . 1 1 31 31 THR CA C 13 61.27 0.20 . 1 . . 1 . 29 THR CA . 26902 1 165 . 1 1 31 31 THR N N 15 116.74 0.15 . 1 . . 1 . 29 THR N . 26902 1 166 . 1 1 32 32 SER H H 1 8.44 0.01 . 1 . . 1 . 30 SER H . 26902 1 167 . 1 1 32 32 SER HA H 1 4.70 0.01 . 1 . . 1 . 30 SER HA . 26902 1 168 . 1 1 32 32 SER N N 15 119.93 0.15 . 1 . . 1 . 30 SER N . 26902 1 169 . 1 1 33 33 PRO C C 13 176.56 0.20 . 1 . . 1 . 31 PRO C . 26902 1 170 . 1 1 33 33 PRO CA C 13 63.05 0.20 . 1 . . 1 . 31 PRO CA . 26902 1 171 . 1 1 34 34 LYS H H 1 8.40 0.01 . 1 . . 1 . 32 LYS H . 26902 1 172 . 1 1 34 34 LYS HA H 1 4.26 0.01 . 1 . . 1 . 32 LYS HA . 26902 1 173 . 1 1 34 34 LYS C C 13 175.94 0.20 . 1 . . 1 . 32 LYS C . 26902 1 174 . 1 1 34 34 LYS CA C 13 55.86 0.20 . 1 . . 1 . 32 LYS CA . 26902 1 175 . 1 1 34 34 LYS N N 15 121.22 0.15 . 1 . . 1 . 32 LYS N . 26902 1 176 . 1 1 35 35 ASP H H 1 8.37 0.01 . 1 . . 1 . 33 ASP H . 26902 1 177 . 1 1 35 35 ASP HA H 1 4.86 0.01 . 1 . . 1 . 33 ASP HA . 26902 1 178 . 1 1 35 35 ASP CA C 13 51.81 0.20 . 1 . . 1 . 33 ASP CA . 26902 1 179 . 1 1 35 35 ASP CB C 13 41.03 0.20 . 1 . . 1 . 33 ASP CB . 26902 1 180 . 1 1 35 35 ASP N N 15 122.77 0.15 . 1 . . 1 . 33 ASP N . 26902 1 181 . 1 1 36 36 PRO C C 13 176.97 0.20 . 1 . . 1 . 34 PRO C . 26902 1 182 . 1 1 36 36 PRO CA C 13 63.18 0.20 . 1 . . 1 . 34 PRO CA . 26902 1 183 . 1 1 37 37 LYS H H 1 8.44 0.01 . 1 . . 1 . 35 LYS H . 26902 1 184 . 1 1 37 37 LYS HA H 1 4.25 0.01 . 1 . . 1 . 35 LYS HA . 26902 1 185 . 1 1 37 37 LYS C C 13 176.63 0.20 . 1 . . 1 . 35 LYS C . 26902 1 186 . 1 1 37 37 LYS CA C 13 56.21 0.20 . 1 . . 1 . 35 LYS CA . 26902 1 187 . 1 1 37 37 LYS N N 15 119.93 0.15 . 1 . . 1 . 35 LYS N . 26902 1 188 . 1 1 38 38 LYS H H 1 8.13 0.01 . 1 . . 1 . 36 LYS H . 26902 1 189 . 1 1 38 38 LYS HA H 1 4.30 0.01 . 1 . . 1 . 36 LYS HA . 26902 1 190 . 1 1 38 38 LYS C C 13 176.34 0.20 . 1 . . 1 . 36 LYS C . 26902 1 191 . 1 1 38 38 LYS CA C 13 56.01 0.20 . 1 . . 1 . 36 LYS CA . 26902 1 192 . 1 1 38 38 LYS CB C 13 32.66 0.20 . 1 . . 1 . 36 LYS CB . 26902 1 193 . 1 1 38 38 LYS N N 15 122.28 0.15 . 1 . . 1 . 36 LYS N . 26902 1 194 . 1 1 39 39 LYS H H 1 8.44 0.01 . 1 . . 1 . 37 LYS H . 26902 1 195 . 1 1 39 39 LYS HA H 1 4.30 0.01 . 1 . . 1 . 37 LYS HA . 26902 1 196 . 1 1 39 39 LYS CA C 13 56.25 0.20 . 1 . . 1 . 37 LYS CA . 26902 1 197 . 1 1 39 39 LYS N N 15 123.36 0.15 . 1 . . 1 . 37 LYS N . 26902 1 198 . 1 1 40 40 ASP H H 1 8.44 0.01 . 1 . . 1 . 38 ASP H . 26902 1 199 . 1 1 40 40 ASP C C 13 175.96 0.20 . 1 . . 1 . 38 ASP C . 26902 1 200 . 1 1 40 40 ASP CA C 13 54.25 0.20 . 1 . . 1 . 38 ASP CA . 26902 1 201 . 1 1 40 40 ASP N N 15 121.51 0.15 . 1 . . 1 . 38 ASP N . 26902 1 202 . 1 1 41 41 SER H H 1 8.27 0.01 . 1 . . 1 . 39 SER H . 26902 1 203 . 1 1 41 41 SER HA H 1 4.46 0.01 . 1 . . 1 . 39 SER HA . 26902 1 204 . 1 1 41 41 SER C C 13 175.34 0.20 . 1 . . 1 . 39 SER C . 26902 1 205 . 1 1 41 41 SER CA C 13 58.09 0.20 . 1 . . 1 . 39 SER CA . 26902 1 206 . 1 1 41 41 SER CB C 13 63.72 0.20 . 1 . . 1 . 39 SER CB . 26902 1 207 . 1 1 41 41 SER N N 15 115.76 0.15 . 1 . . 1 . 39 SER N . 26902 1 208 . 1 1 42 42 ILE H H 1 8.24 0.01 . 1 . . 1 . 40 ILE H . 26902 1 209 . 1 1 42 42 ILE C C 13 176.00 0.20 . 1 . . 1 . 40 ILE C . 26902 1 210 . 1 1 42 42 ILE CA C 13 60.99 0.20 . 1 . . 1 . 40 ILE CA . 26902 1 211 . 1 1 42 42 ILE CB C 13 38.55 0.20 . 1 . . 1 . 40 ILE CB . 26902 1 212 . 1 1 42 42 ILE N N 15 122.61 0.15 . 1 . . 1 . 40 ILE N . 26902 1 213 . 1 1 43 43 ILE H H 1 8.31 0.01 . 1 . . 1 . 41 ILE H . 26902 1 214 . 1 1 43 43 ILE HA H 1 4.21 0.01 . 1 . . 1 . 41 ILE HA . 26902 1 215 . 1 1 43 43 ILE C C 13 175.89 0.20 . 1 . . 1 . 41 ILE C . 26902 1 216 . 1 1 43 43 ILE CA C 13 60.76 0.20 . 1 . . 1 . 41 ILE CA . 26902 1 217 . 1 1 43 43 ILE CB C 13 38.38 0.20 . 1 . . 1 . 41 ILE CB . 26902 1 218 . 1 1 43 43 ILE N N 15 125.26 0.15 . 1 . . 1 . 41 ILE N . 26902 1 219 . 1 1 44 44 SER H H 1 8.47 0.01 . 1 . . 1 . 42 SER H . 26902 1 220 . 1 1 44 44 SER HA H 1 4.53 0.01 . 1 . . 1 . 42 SER HA . 26902 1 221 . 1 1 44 44 SER C C 13 174.28 0.20 . 1 . . 1 . 42 SER C . 26902 1 222 . 1 1 44 44 SER CA C 13 57.76 0.20 . 1 . . 1 . 42 SER CA . 26902 1 223 . 1 1 44 44 SER CB C 13 63.65 0.20 . 1 . . 1 . 42 SER CB . 26902 1 224 . 1 1 44 44 SER N N 15 120.75 0.15 . 1 . . 1 . 42 SER N . 26902 1 225 . 1 1 45 45 VAL H H 1 8.32 0.01 . 1 . . 1 . 43 VAL H . 26902 1 226 . 1 1 45 45 VAL HA H 1 4.16 0.01 . 1 . . 1 . 43 VAL HA . 26902 1 227 . 1 1 45 45 VAL C C 13 175.62 0.20 . 1 . . 1 . 43 VAL C . 26902 1 228 . 1 1 45 45 VAL CA C 13 62.08 0.20 . 1 . . 1 . 43 VAL CA . 26902 1 229 . 1 1 45 45 VAL N N 15 122.01 0.15 . 1 . . 1 . 43 VAL N . 26902 1 230 . 1 1 46 46 ASN H H 1 8.56 0.01 . 1 . . 1 . 44 ASN H . 26902 1 231 . 1 1 46 46 ASN HA H 1 4.76 0.01 . 1 . . 1 . 44 ASN HA . 26902 1 232 . 1 1 46 46 ASN C C 13 174.93 0.20 . 1 . . 1 . 44 ASN C . 26902 1 233 . 1 1 46 46 ASN CA C 13 52.91 0.20 . 1 . . 1 . 44 ASN CA . 26902 1 234 . 1 1 46 46 ASN N N 15 121.91 0.15 . 1 . . 1 . 44 ASN N . 26902 1 235 . 1 1 47 47 SER H H 1 8.34 0.01 . 1 . . 1 . 45 SER H . 26902 1 236 . 1 1 47 47 SER HA H 1 4.43 0.01 . 1 . . 1 . 45 SER HA . 26902 1 237 . 1 1 47 47 SER C C 13 174.19 0.20 . 1 . . 1 . 45 SER C . 26902 1 238 . 1 1 47 47 SER CA C 13 58.33 0.20 . 1 . . 1 . 45 SER CA . 26902 1 239 . 1 1 47 47 SER CB C 13 63.44 0.20 . 1 . . 1 . 45 SER CB . 26902 1 240 . 1 1 47 47 SER N N 15 116.55 0.15 . 1 . . 1 . 45 SER N . 26902 1 241 . 1 1 48 48 ILE H H 1 8.17 0.01 . 1 . . 1 . 46 ILE H . 26902 1 242 . 1 1 48 48 ILE HA H 1 4.22 0.01 . 1 . . 1 . 46 ILE HA . 26902 1 243 . 1 1 48 48 ILE C C 13 175.58 0.20 . 1 . . 1 . 46 ILE C . 26902 1 244 . 1 1 48 48 ILE CA C 13 61.07 0.20 . 1 . . 1 . 46 ILE CA . 26902 1 245 . 1 1 48 48 ILE N N 15 121.71 0.15 . 1 . . 1 . 46 ILE N . 26902 1 246 . 1 1 49 49 ASP H H 1 8.38 0.01 . 1 . . 1 . 47 ASP H . 26902 1 247 . 1 1 49 49 ASP HA H 1 4.64 0.01 . 1 . . 1 . 47 ASP HA . 26902 1 248 . 1 1 49 49 ASP C C 13 175.88 0.20 . 1 . . 1 . 47 ASP C . 26902 1 249 . 1 1 49 49 ASP CA C 13 54.18 0.20 . 1 . . 1 . 47 ASP CA . 26902 1 250 . 1 1 49 49 ASP CB C 13 40.86 0.20 . 1 . . 1 . 47 ASP CB . 26902 1 251 . 1 1 49 49 ASP N N 15 124.06 0.15 . 1 . . 1 . 47 ASP N . 26902 1 252 . 1 1 50 50 ILE H H 1 8.07 0.01 . 1 . . 1 . 48 ILE H . 26902 1 253 . 1 1 50 50 ILE HA H 1 4.17 0.01 . 1 . . 1 . 48 ILE HA . 26902 1 254 . 1 1 50 50 ILE C C 13 175.97 0.20 . 1 . . 1 . 48 ILE C . 26902 1 255 . 1 1 50 50 ILE CA C 13 60.98 0.20 . 1 . . 1 . 48 ILE CA . 26902 1 256 . 1 1 50 50 ILE CB C 13 38.66 0.20 . 1 . . 1 . 48 ILE CB . 26902 1 257 . 1 1 50 50 ILE N N 15 120.72 0.15 . 1 . . 1 . 48 ILE N . 26902 1 258 . 1 1 51 51 GLU H H 1 8.49 0.01 . 1 . . 1 . 49 GLU H . 26902 1 259 . 1 1 51 51 GLU HA H 1 4.31 0.01 . 1 . . 1 . 49 GLU HA . 26902 1 260 . 1 1 51 51 GLU C C 13 176.28 0.20 . 1 . . 1 . 49 GLU C . 26902 1 261 . 1 1 51 51 GLU CA C 13 56.34 0.20 . 1 . . 1 . 49 GLU CA . 26902 1 262 . 1 1 51 51 GLU CB C 13 29.97 0.20 . 1 . . 1 . 49 GLU CB . 26902 1 263 . 1 1 51 51 GLU N N 15 124.82 0.15 . 1 . . 1 . 49 GLU N . 26902 1 264 . 1 1 52 52 VAL H H 1 8.29 0.01 . 1 . . 1 . 50 VAL H . 26902 1 265 . 1 1 52 52 VAL HA H 1 4.16 0.01 . 1 . . 1 . 50 VAL HA . 26902 1 266 . 1 1 52 52 VAL C C 13 176.21 0.20 . 1 . . 1 . 50 VAL C . 26902 1 267 . 1 1 52 52 VAL CA C 13 62.28 0.20 . 1 . . 1 . 50 VAL CA . 26902 1 268 . 1 1 52 52 VAL CB C 13 32.61 0.20 . 1 . . 1 . 50 VAL CB . 26902 1 269 . 1 1 52 52 VAL N N 15 122.12 0.15 . 1 . . 1 . 50 VAL N . 26902 1 270 . 1 1 53 53 THR H H 1 8.31 0.01 . 1 . . 1 . 51 THR H . 26902 1 271 . 1 1 53 53 THR HA H 1 4.33 0.01 . 1 . . 1 . 51 THR HA . 26902 1 272 . 1 1 53 53 THR C C 13 174.18 0.20 . 1 . . 1 . 51 THR C . 26902 1 273 . 1 1 53 53 THR CA C 13 61.80 0.20 . 1 . . 1 . 51 THR CA . 26902 1 274 . 1 1 53 53 THR CB C 13 69.53 0.20 . 1 . . 1 . 51 THR CB . 26902 1 275 . 1 1 53 53 THR N N 15 118.58 0.15 . 1 . . 1 . 51 THR N . 26902 1 276 . 1 1 54 54 LYS H H 1 8.44 0.01 . 1 . . 1 . 52 LYS H . 26902 1 277 . 1 1 54 54 LYS HA H 1 4.34 0.01 . 1 . . 1 . 52 LYS HA . 26902 1 278 . 1 1 54 54 LYS C C 13 176.13 0.20 . 1 . . 1 . 52 LYS C . 26902 1 279 . 1 1 54 54 LYS CA C 13 56.04 0.20 . 1 . . 1 . 52 LYS CA . 26902 1 280 . 1 1 54 54 LYS CB C 13 33.04 0.20 . 1 . . 1 . 52 LYS CB . 26902 1 281 . 1 1 54 54 LYS N N 15 124.20 0.15 . 1 . . 1 . 52 LYS N . 26902 1 282 . 1 1 55 55 GLU H H 1 8.48 0.01 . 1 . . 1 . 53 GLU H . 26902 1 283 . 1 1 55 55 GLU HA H 1 4.29 0.01 . 1 . . 1 . 53 GLU HA . 26902 1 284 . 1 1 55 55 GLU C C 13 176.01 0.20 . 1 . . 1 . 53 GLU C . 26902 1 285 . 1 1 55 55 GLU CA C 13 56.06 0.20 . 1 . . 1 . 53 GLU CA . 26902 1 286 . 1 1 55 55 GLU CB C 13 30.15 0.20 . 1 . . 1 . 53 GLU CB . 26902 1 287 . 1 1 55 55 GLU N N 15 122.08 0.15 . 1 . . 1 . 53 GLU N . 26902 1 288 . 1 1 56 56 SER H H 1 8.51 0.01 . 1 . . 1 . 54 SER H . 26902 1 289 . 1 1 56 56 SER HA H 1 4.76 0.01 . 1 . . 1 . 54 SER HA . 26902 1 290 . 1 1 56 56 SER CA C 13 56.15 0.20 . 1 . . 1 . 54 SER CA . 26902 1 291 . 1 1 56 56 SER CB C 13 63.20 0.20 . 1 . . 1 . 54 SER CB . 26902 1 292 . 1 1 56 56 SER N N 15 118.82 0.15 . 1 . . 1 . 54 SER N . 26902 1 293 . 1 1 57 57 PRO C C 13 176.70 0.20 . 1 . . 1 . 55 PRO C . 26902 1 294 . 1 1 57 57 PRO CA C 13 62.97 0.20 . 1 . . 1 . 55 PRO CA . 26902 1 295 . 1 1 58 58 ILE H H 1 8.35 0.01 . 1 . . 1 . 56 ILE H . 26902 1 296 . 1 1 58 58 ILE HA H 1 4.22 0.01 . 1 . . 1 . 56 ILE HA . 26902 1 297 . 1 1 58 58 ILE C C 13 176.53 0.20 . 1 . . 1 . 56 ILE C . 26902 1 298 . 1 1 58 58 ILE CA C 13 61.13 0.20 . 1 . . 1 . 56 ILE CA . 26902 1 299 . 1 1 58 58 ILE CB C 13 38.20 0.20 . 1 . . 1 . 56 ILE CB . 26902 1 300 . 1 1 58 58 ILE N N 15 121.02 0.15 . 1 . . 1 . 56 ILE N . 26902 1 301 . 1 1 59 59 THR H H 1 8.28 0.01 . 1 . . 1 . 57 THR H . 26902 1 302 . 1 1 59 59 THR HA H 1 4.42 0.01 . 1 . . 1 . 57 THR HA . 26902 1 303 . 1 1 59 59 THR C C 13 174.28 0.20 . 1 . . 1 . 57 THR C . 26902 1 304 . 1 1 59 59 THR CA C 13 61.32 0.20 . 1 . . 1 . 57 THR CA . 26902 1 305 . 1 1 59 59 THR CB C 13 69.81 0.20 . 1 . . 1 . 57 THR CB . 26902 1 306 . 1 1 59 59 THR N N 15 118.09 0.15 . 1 . . 1 . 57 THR N . 26902 1 307 . 1 1 60 60 SER H H 1 8.41 0.01 . 1 . . 1 . 58 SER H . 26902 1 308 . 1 1 60 60 SER HA H 1 4.48 0.01 . 1 . . 1 . 58 SER HA . 26902 1 309 . 1 1 60 60 SER CA C 13 58.05 0.20 . 1 . . 1 . 58 SER CA . 26902 1 310 . 1 1 60 60 SER N N 15 117.94 0.15 . 1 . . 1 . 58 SER N . 26902 1 311 . 1 1 61 61 ASN H H 1 8.56 0.01 . 1 . . 1 . 59 ASN H . 26902 1 312 . 1 1 61 61 ASN HA H 1 4.22 0.01 . 1 . . 1 . 59 ASN HA . 26902 1 313 . 1 1 61 61 ASN C C 13 175.11 0.20 . 1 . . 1 . 59 ASN C . 26902 1 314 . 1 1 61 61 ASN CA C 13 53.03 0.20 . 1 . . 1 . 59 ASN CA . 26902 1 315 . 1 1 61 61 ASN N N 15 120.96 0.15 . 1 . . 1 . 59 ASN N . 26902 1 316 . 1 1 62 62 SER H H 1 8.37 0.01 . 1 . . 1 . 60 SER H . 26902 1 317 . 1 1 62 62 SER HA H 1 4.48 0.01 . 1 . . 1 . 60 SER HA . 26902 1 318 . 1 1 62 62 SER C C 13 174.46 0.20 . 1 . . 1 . 60 SER C . 26902 1 319 . 1 1 62 62 SER CA C 13 58.37 0.20 . 1 . . 1 . 60 SER CA . 26902 1 320 . 1 1 62 62 SER N N 15 116.08 0.15 . 1 . . 1 . 60 SER N . 26902 1 321 . 1 1 63 63 THR H H 1 8.27 0.01 . 1 . . 1 . 61 THR H . 26902 1 322 . 1 1 63 63 THR HA H 1 4.33 0.01 . 1 . . 1 . 61 THR HA . 26902 1 323 . 1 1 63 63 THR C C 13 174.01 0.20 . 1 . . 1 . 61 THR C . 26902 1 324 . 1 1 63 63 THR CA C 13 62.05 0.20 . 1 . . 1 . 61 THR CA . 26902 1 325 . 1 1 63 63 THR CB C 13 69.58 0.20 . 1 . . 1 . 61 THR CB . 26902 1 326 . 1 1 63 63 THR N N 15 116.62 0.15 . 1 . . 1 . 61 THR N . 26902 1 327 . 1 1 64 64 ILE H H 1 8.19 0.01 . 1 . . 1 . 62 ILE H . 26902 1 328 . 1 1 64 64 ILE HA H 1 4.16 0.01 . 1 . . 1 . 62 ILE HA . 26902 1 329 . 1 1 64 64 ILE C C 13 175.67 0.20 . 1 . . 1 . 62 ILE C . 26902 1 330 . 1 1 64 64 ILE CA C 13 60.85 0.20 . 1 . . 1 . 62 ILE CA . 26902 1 331 . 1 1 64 64 ILE CB C 13 38.08 0.20 . 1 . . 1 . 62 ILE CB . 26902 1 332 . 1 1 64 64 ILE N N 15 124.06 0.15 . 1 . . 1 . 62 ILE N . 26902 1 333 . 1 1 65 65 ILE H H 1 8.32 0.01 . 1 . . 1 . 63 ILE H . 26902 1 334 . 1 1 65 65 ILE HA H 1 4.16 0.01 . 1 . . 1 . 63 ILE HA . 26902 1 335 . 1 1 65 65 ILE C C 13 175.34 0.20 . 1 . . 1 . 63 ILE C . 26902 1 336 . 1 1 65 65 ILE CA C 13 60.43 0.20 . 1 . . 1 . 63 ILE CA . 26902 1 337 . 1 1 65 65 ILE CB C 13 38.32 0.20 . 1 . . 1 . 63 ILE CB . 26902 1 338 . 1 1 65 65 ILE N N 15 125.93 0.15 . 1 . . 1 . 63 ILE N . 26902 1 339 . 1 1 66 66 ASN H H 1 8.65 0.01 . 1 . . 1 . 64 ASN H . 26902 1 340 . 1 1 66 66 ASN HA H 1 5.00 0.01 . 1 . . 1 . 64 ASN HA . 26902 1 341 . 1 1 66 66 ASN CA C 13 51.03 0.20 . 1 . . 1 . 64 ASN CA . 26902 1 342 . 1 1 66 66 ASN CB C 13 38.48 0.20 . 1 . . 1 . 64 ASN CB . 26902 1 343 . 1 1 66 66 ASN N N 15 124.34 0.15 . 1 . . 1 . 64 ASN N . 26902 1 344 . 1 1 67 67 PRO C C 13 176.91 0.20 . 1 . . 1 . 65 PRO C . 26902 1 345 . 1 1 67 67 PRO CA C 13 63.17 0.20 . 1 . . 1 . 65 PRO CA . 26902 1 346 . 1 1 68 68 THR H H 1 8.31 0.01 . 1 . . 1 . 66 THR H . 26902 1 347 . 1 1 68 68 THR HA H 1 4.34 0.01 . 1 . . 1 . 66 THR HA . 26902 1 348 . 1 1 68 68 THR C C 13 174.09 0.20 . 1 . . 1 . 66 THR C . 26902 1 349 . 1 1 68 68 THR CA C 13 61.62 0.20 . 1 . . 1 . 66 THR CA . 26902 1 350 . 1 1 68 68 THR CB C 13 69.72 0.20 . 1 . . 1 . 66 THR CB . 26902 1 351 . 1 1 68 68 THR N N 15 113.76 0.15 . 1 . . 1 . 66 THR N . 26902 1 352 . 1 1 69 69 ASN H H 1 8.48 0.01 . 1 . . 1 . 67 ASN H . 26902 1 353 . 1 1 69 69 ASN HA H 1 4.74 0.01 . 1 . . 1 . 67 ASN HA . 26902 1 354 . 1 1 69 69 ASN C C 13 174.96 0.20 . 1 . . 1 . 67 ASN C . 26902 1 355 . 1 1 69 69 ASN CA C 13 53.01 0.20 . 1 . . 1 . 67 ASN CA . 26902 1 356 . 1 1 69 69 ASN CB C 13 38.65 0.20 . 1 . . 1 . 67 ASN CB . 26902 1 357 . 1 1 69 69 ASN N N 15 120.64 0.15 . 1 . . 1 . 67 ASN N . 26902 1 358 . 1 1 70 70 GLU H H 1 8.53 0.01 . 1 . . 1 . 68 GLU H . 26902 1 359 . 1 1 70 70 GLU HA H 1 4.35 0.01 . 1 . . 1 . 68 GLU HA . 26902 1 360 . 1 1 70 70 GLU C C 13 176.46 0.20 . 1 . . 1 . 68 GLU C . 26902 1 361 . 1 1 70 70 GLU CA C 13 56.68 0.20 . 1 . . 1 . 68 GLU CA . 26902 1 362 . 1 1 70 70 GLU CB C 13 29.97 0.20 . 1 . . 1 . 68 GLU CB . 26902 1 363 . 1 1 70 70 GLU N N 15 121.43 0.15 . 1 . . 1 . 68 GLU N . 26902 1 364 . 1 1 71 71 THR H H 1 8.26 0.01 . 1 . . 1 . 69 THR H . 26902 1 365 . 1 1 71 71 THR HA H 1 4.35 0.01 . 1 . . 1 . 69 THR HA . 26902 1 366 . 1 1 71 71 THR C C 13 174.11 0.20 . 1 . . 1 . 69 THR C . 26902 1 367 . 1 1 71 71 THR CA C 13 61.63 0.20 . 1 . . 1 . 69 THR CA . 26902 1 368 . 1 1 71 71 THR CB C 13 69.86 0.20 . 1 . . 1 . 69 THR CB . 26902 1 369 . 1 1 71 71 THR N N 15 114.22 0.15 . 1 . . 1 . 69 THR N . 26902 1 370 . 1 1 72 72 ASP H H 1 8.38 0.01 . 1 . . 1 . 70 ASP H . 26902 1 371 . 1 1 72 72 ASP HA H 1 4.64 0.01 . 1 . . 1 . 70 ASP HA . 26902 1 372 . 1 1 72 72 ASP C C 13 176.05 0.20 . 1 . . 1 . 70 ASP C . 26902 1 373 . 1 1 72 72 ASP CA C 13 54.10 0.20 . 1 . . 1 . 70 ASP CA . 26902 1 374 . 1 1 72 72 ASP CB C 13 40.97 0.20 . 1 . . 1 . 70 ASP CB . 26902 1 375 . 1 1 72 72 ASP N N 15 122.64 0.15 . 1 . . 1 . 70 ASP N . 26902 1 376 . 1 1 73 73 ASP H H 1 8.44 0.01 . 1 . . 1 . 71 ASP H . 26902 1 377 . 1 1 73 73 ASP HA H 1 4.56 0.01 . 1 . . 1 . 71 ASP HA . 26902 1 378 . 1 1 73 73 ASP CA C 13 54.39 0.20 . 1 . . 1 . 71 ASP CA . 26902 1 379 . 1 1 73 73 ASP CB C 13 40.84 0.20 . 1 . . 1 . 71 ASP CB . 26902 1 380 . 1 1 73 73 ASP N N 15 121.51 0.15 . 1 . . 1 . 71 ASP N . 26902 1 381 . 1 1 74 74 ASN H H 1 8.47 0.01 . 1 . . 1 . 72 ASN H . 26902 1 382 . 1 1 74 74 ASN HA H 1 4.68 0.01 . 1 . . 1 . 72 ASN HA . 26902 1 383 . 1 1 74 74 ASN C C 13 175.30 0.20 . 1 . . 1 . 72 ASN C . 26902 1 384 . 1 1 74 74 ASN CA C 13 53.22 0.20 . 1 . . 1 . 72 ASN CA . 26902 1 385 . 1 1 74 74 ASN CB C 13 38.66 0.20 . 1 . . 1 . 72 ASN CB . 26902 1 386 . 1 1 74 74 ASN N N 15 118.68 0.15 . 1 . . 1 . 72 ASN N . 26902 1 387 . 1 1 75 75 ALA H H 1 8.22 0.01 . 1 . . 1 . 73 ALA H . 26902 1 388 . 1 1 75 75 ALA HA H 1 4.26 0.01 . 1 . . 1 . 73 ALA HA . 26902 1 389 . 1 1 75 75 ALA C C 13 178.22 0.20 . 1 . . 1 . 73 ALA C . 26902 1 390 . 1 1 75 75 ALA CA C 13 53.08 0.20 . 1 . . 1 . 73 ALA CA . 26902 1 391 . 1 1 75 75 ALA CB C 13 18.57 0.20 . 1 . . 1 . 73 ALA CB . 26902 1 392 . 1 1 75 75 ALA N N 15 123.47 0.15 . 1 . . 1 . 73 ALA N . 26902 1 393 . 1 1 76 76 GLY H H 1 8.39 0.01 . 1 . . 1 . 74 GLY H . 26902 1 394 . 1 1 76 76 GLY HA2 H 1 3.90 0.01 . 1 . . 1 . 74 GLY HA2 . 26902 1 395 . 1 1 76 76 GLY HA3 H 1 3.90 0.01 . 1 . . 1 . 74 GLY HA3 . 26902 1 396 . 1 1 76 76 GLY C C 13 173.90 0.20 . 1 . . 1 . 74 GLY C . 26902 1 397 . 1 1 76 76 GLY CA C 13 45.18 0.20 . 1 . . 1 . 74 GLY CA . 26902 1 398 . 1 1 76 76 GLY N N 15 106.85 0.15 . 1 . . 1 . 74 GLY N . 26902 1 399 . 1 1 77 77 ASN H H 1 8.19 0.01 . 1 . . 1 . 75 ASN H . 26902 1 400 . 1 1 77 77 ASN HA H 1 4.70 0.01 . 1 . . 1 . 75 ASN HA . 26902 1 401 . 1 1 77 77 ASN C C 13 174.74 0.20 . 1 . . 1 . 75 ASN C . 26902 1 402 . 1 1 77 77 ASN CA C 13 52.80 0.20 . 1 . . 1 . 75 ASN CA . 26902 1 403 . 1 1 77 77 ASN N N 15 118.11 0.15 . 1 . . 1 . 75 ASN N . 26902 1 404 . 1 1 78 78 LYS H H 1 8.22 0.01 . 1 . . 1 . 76 LYS H . 26902 1 405 . 1 1 78 78 LYS HA H 1 4.58 0.01 . 1 . . 1 . 76 LYS HA . 26902 1 406 . 1 1 78 78 LYS CA C 13 54.15 0.20 . 1 . . 1 . 76 LYS CA . 26902 1 407 . 1 1 78 78 LYS N N 15 122.17 0.15 . 1 . . 1 . 76 LYS N . 26902 1 408 . 1 1 79 79 PRO C C 13 176.33 0.20 . 1 . . 1 . 77 PRO C . 26902 1 409 . 1 1 79 79 PRO CA C 13 63.05 0.20 . 1 . . 1 . 77 PRO CA . 26902 1 410 . 1 1 80 80 ASN H H 1 8.55 0.01 . 1 . . 1 . 78 ASN H . 26902 1 411 . 1 1 80 80 ASN HA H 1 4.61 0.01 . 1 . . 1 . 78 ASN HA . 26902 1 412 . 1 1 80 80 ASN C C 13 174.85 0.20 . 1 . . 1 . 78 ASN C . 26902 1 413 . 1 1 80 80 ASN CA C 13 52.84 0.20 . 1 . . 1 . 78 ASN CA . 26902 1 414 . 1 1 80 80 ASN N N 15 118.37 0.15 . 1 . . 1 . 78 ASN N . 26902 1 415 . 1 1 81 81 TYR H H 1 8.10 0.01 . 1 . . 1 . 79 TYR H . 26902 1 416 . 1 1 81 81 TYR HA H 1 4.53 0.01 . 1 . . 1 . 79 TYR HA . 26902 1 417 . 1 1 81 81 TYR C C 13 175.31 0.20 . 1 . . 1 . 79 TYR C . 26902 1 418 . 1 1 81 81 TYR CA C 13 57.77 0.20 . 1 . . 1 . 79 TYR CA . 26902 1 419 . 1 1 81 81 TYR CB C 13 38.40 0.20 . 1 . . 1 . 79 TYR CB . 26902 1 420 . 1 1 81 81 TYR N N 15 120.67 0.15 . 1 . . 1 . 79 TYR N . 26902 1 421 . 1 1 82 82 GLN H H 1 8.24 0.01 . 1 . . 1 . 80 GLN H . 26902 1 422 . 1 1 82 82 GLN HA H 1 4.27 0.01 . 1 . . 1 . 80 GLN HA . 26902 1 423 . 1 1 82 82 GLN C C 13 175.05 0.20 . 1 . . 1 . 80 GLN C . 26902 1 424 . 1 1 82 82 GLN CA C 13 55.32 0.20 . 1 . . 1 . 80 GLN CA . 26902 1 425 . 1 1 82 82 GLN N N 15 122.04 0.15 . 1 . . 1 . 80 GLN N . 26902 1 426 . 1 1 83 83 ARG H H 1 8.28 0.01 . 1 . . 1 . 81 ARG H . 26902 1 427 . 1 1 83 83 ARG HA H 1 4.28 0.01 . 1 . . 1 . 81 ARG HA . 26902 1 428 . 1 1 83 83 ARG C C 13 175.77 0.20 . 1 . . 1 . 81 ARG C . 26902 1 429 . 1 1 83 83 ARG CA C 13 55.80 0.20 . 1 . . 1 . 81 ARG CA . 26902 1 430 . 1 1 83 83 ARG N N 15 122.69 0.15 . 1 . . 1 . 81 ARG N . 26902 1 431 . 1 1 84 84 LYS H H 1 8.44 0.01 . 1 . . 1 . 82 LYS H . 26902 1 432 . 1 1 84 84 LYS HA H 1 4.57 0.01 . 1 . . 1 . 82 LYS HA . 26902 1 433 . 1 1 84 84 LYS CA C 13 53.96 0.20 . 1 . . 1 . 82 LYS CA . 26902 1 434 . 1 1 84 84 LYS N N 15 124.34 0.15 . 1 . . 1 . 82 LYS N . 26902 1 435 . 1 1 85 85 PRO C C 13 176.41 0.20 . 1 . . 1 . 83 PRO C . 26902 1 436 . 1 1 85 85 PRO CA C 13 62.71 0.20 . 1 . . 1 . 83 PRO CA . 26902 1 437 . 1 1 85 85 PRO CB C 13 31.79 0.20 . 1 . . 1 . 83 PRO CB . 26902 1 438 . 1 1 86 86 LEU H H 1 8.43 0.01 . 1 . . 1 . 84 LEU H . 26902 1 439 . 1 1 86 86 LEU HA H 1 4.32 0.01 . 1 . . 1 . 84 LEU HA . 26902 1 440 . 1 1 86 86 LEU C C 13 177.17 0.20 . 1 . . 1 . 84 LEU C . 26902 1 441 . 1 1 86 86 LEU CA C 13 55.12 0.20 . 1 . . 1 . 84 LEU CA . 26902 1 442 . 1 1 86 86 LEU N N 15 122.74 0.15 . 1 . . 1 . 84 LEU N . 26902 1 443 . 1 1 87 87 VAL H H 1 8.16 0.01 . 1 . . 1 . 85 VAL H . 26902 1 444 . 1 1 87 87 VAL HA H 1 4.15 0.01 . 1 . . 1 . 85 VAL HA . 26902 1 445 . 1 1 87 87 VAL C C 13 175.51 0.20 . 1 . . 1 . 85 VAL C . 26902 1 446 . 1 1 87 87 VAL CA C 13 61.74 0.20 . 1 . . 1 . 85 VAL CA . 26902 1 447 . 1 1 87 87 VAL N N 15 121.10 0.15 . 1 . . 1 . 85 VAL N . 26902 1 448 . 1 1 88 88 SER H H 1 8.36 0.01 . 1 . . 1 . 86 SER H . 26902 1 449 . 1 1 88 88 SER HA H 1 4.43 0.01 . 1 . . 1 . 86 SER HA . 26902 1 450 . 1 1 88 88 SER C C 13 173.64 0.20 . 1 . . 1 . 86 SER C . 26902 1 451 . 1 1 88 88 SER CA C 13 57.66 0.20 . 1 . . 1 . 86 SER CA . 26902 1 452 . 1 1 88 88 SER CB C 13 63.74 0.20 . 1 . . 1 . 86 SER CB . 26902 1 453 . 1 1 88 88 SER N N 15 119.44 0.15 . 1 . . 1 . 86 SER N . 26902 1 454 . 1 1 89 89 PHE H H 1 8.35 0.01 . 1 . . 1 . 87 PHE H . 26902 1 455 . 1 1 89 89 PHE HA H 1 4.63 0.01 . 1 . . 1 . 87 PHE HA . 26902 1 456 . 1 1 89 89 PHE C C 13 175.05 0.20 . 1 . . 1 . 87 PHE C . 26902 1 457 . 1 1 89 89 PHE CA C 13 57.52 0.20 . 1 . . 1 . 87 PHE CA . 26902 1 458 . 1 1 89 89 PHE N N 15 122.70 0.15 . 1 . . 1 . 87 PHE N . 26902 1 459 . 1 1 90 90 LYS H H 1 8.22 0.01 . 1 . . 1 . 88 LYS H . 26902 1 460 . 1 1 90 90 LYS C C 13 175.51 0.20 . 1 . . 1 . 88 LYS C . 26902 1 461 . 1 1 90 90 LYS CA C 13 55.85 0.20 . 1 . . 1 . 88 LYS CA . 26902 1 462 . 1 1 90 90 LYS N N 15 123.45 0.15 . 1 . . 1 . 88 LYS N . 26902 1 463 . 1 1 91 91 GLU H H 1 8.41 0.01 . 1 . . 1 . 89 GLU H . 26902 1 464 . 1 1 91 91 GLU HA H 1 4.26 0.01 . 1 . . 1 . 89 GLU HA . 26902 1 465 . 1 1 91 91 GLU C C 13 175.60 0.20 . 1 . . 1 . 89 GLU C . 26902 1 466 . 1 1 91 91 GLU CA C 13 55.90 0.20 . 1 . . 1 . 89 GLU CA . 26902 1 467 . 1 1 91 91 GLU N N 15 122.41 0.15 . 1 . . 1 . 89 GLU N . 26902 1 468 . 1 1 92 92 ASP H H 1 8.48 0.01 . 1 . . 1 . 90 ASP H . 26902 1 469 . 1 1 92 92 ASP HA H 1 4.83 0.01 . 1 . . 1 . 90 ASP HA . 26902 1 470 . 1 1 92 92 ASP CA C 13 52.42 0.20 . 1 . . 1 . 90 ASP CA . 26902 1 471 . 1 1 92 92 ASP CB C 13 40.35 0.20 . 1 . . 1 . 90 ASP CB . 26902 1 472 . 1 1 92 92 ASP N N 15 123.49 0.15 . 1 . . 1 . 90 ASP N . 26902 1 473 . 1 1 93 93 PRO C C 13 176.52 0.20 . 1 . . 1 . 91 PRO C . 26902 1 474 . 1 1 93 93 PRO CA C 13 62.69 0.20 . 1 . . 1 . 91 PRO CA . 26902 1 475 . 1 1 94 94 ILE H H 1 8.37 0.01 . 1 . . 1 . 92 ILE H . 26902 1 476 . 1 1 94 94 ILE HA H 1 4.43 0.01 . 1 . . 1 . 92 ILE HA . 26902 1 477 . 1 1 94 94 ILE CA C 13 58.49 0.20 . 1 . . 1 . 92 ILE CA . 26902 1 478 . 1 1 94 94 ILE N N 15 122.73 0.15 . 1 . . 1 . 92 ILE N . 26902 1 479 . 1 1 95 95 PRO C C 13 176.82 0.20 . 1 . . 1 . 93 PRO C . 26902 1 480 . 1 1 95 95 PRO CA C 13 63.25 0.20 . 1 . . 1 . 93 PRO CA . 26902 1 481 . 1 1 96 96 SER H H 1 8.45 0.01 . 1 . . 1 . 94 SER H . 26902 1 482 . 1 1 96 96 SER HA H 1 4.41 0.01 . 1 . . 1 . 94 SER HA . 26902 1 483 . 1 1 96 96 SER C C 13 174.11 0.20 . 1 . . 1 . 94 SER C . 26902 1 484 . 1 1 96 96 SER CA C 13 58.22 0.20 . 1 . . 1 . 94 SER CA . 26902 1 485 . 1 1 96 96 SER N N 15 115.69 0.15 . 1 . . 1 . 94 SER N . 26902 1 486 . 1 1 97 97 ASP H H 1 8.38 0.01 . 1 . . 1 . 95 ASP H . 26902 1 487 . 1 1 97 97 ASP HA H 1 4.63 0.01 . 1 . . 1 . 95 ASP HA . 26902 1 488 . 1 1 97 97 ASP C C 13 175.27 0.20 . 1 . . 1 . 95 ASP C . 26902 1 489 . 1 1 97 97 ASP CA C 13 53.88 0.20 . 1 . . 1 . 95 ASP CA . 26902 1 490 . 1 1 97 97 ASP CB C 13 40.80 0.20 . 1 . . 1 . 95 ASP CB . 26902 1 491 . 1 1 97 97 ASP N N 15 121.81 0.15 . 1 . . 1 . 95 ASP N . 26902 1 492 . 1 1 98 98 ASN H H 1 8.30 0.01 . 1 . . 1 . 96 ASN H . 26902 1 493 . 1 1 98 98 ASN HA H 1 4.95 0.01 . 1 . . 1 . 96 ASN HA . 26902 1 494 . 1 1 98 98 ASN CA C 13 50.91 0.20 . 1 . . 1 . 96 ASN CA . 26902 1 495 . 1 1 98 98 ASN N N 15 119.38 0.15 . 1 . . 1 . 96 ASN N . 26902 1 496 . 1 1 99 99 PRO C C 13 176.82 0.20 . 1 . . 1 . 97 PRO C . 26902 1 497 . 1 1 99 99 PRO CA C 13 63.54 0.20 . 1 . . 1 . 97 PRO CA . 26902 1 498 . 1 1 100 100 PHE H H 1 8.17 0.01 . 1 . . 1 . 98 PHE H . 26902 1 499 . 1 1 100 100 PHE HA H 1 4.60 0.01 . 1 . . 1 . 98 PHE HA . 26902 1 500 . 1 1 100 100 PHE C C 13 176.01 0.20 . 1 . . 1 . 98 PHE C . 26902 1 501 . 1 1 100 100 PHE CA C 13 57.60 0.20 . 1 . . 1 . 98 PHE CA . 26902 1 502 . 1 1 100 100 PHE CB C 13 38.49 0.20 . 1 . . 1 . 98 PHE CB . 26902 1 503 . 1 1 100 100 PHE N N 15 118.13 0.15 . 1 . . 1 . 98 PHE N . 26902 1 504 . 1 1 101 101 SER H H 1 7.95 0.01 . 1 . . 1 . 99 SER H . 26902 1 505 . 1 1 101 101 SER HA H 1 4.34 0.01 . 1 . . 1 . 99 SER HA . 26902 1 506 . 1 1 101 101 SER C C 13 174.56 0.20 . 1 . . 1 . 99 SER C . 26902 1 507 . 1 1 101 101 SER CA C 13 58.57 0.20 . 1 . . 1 . 99 SER CA . 26902 1 508 . 1 1 101 101 SER CB C 13 63.53 0.20 . 1 . . 1 . 99 SER CB . 26902 1 509 . 1 1 101 101 SER N N 15 116.02 0.15 . 1 . . 1 . 99 SER N . 26902 1 510 . 1 1 102 102 LYS H H 1 8.28 0.01 . 1 . . 1 . 100 LYS H . 26902 1 511 . 1 1 102 102 LYS C C 13 176.19 0.20 . 1 . . 1 . 100 LYS C . 26902 1 512 . 1 1 102 102 LYS CA C 13 56.41 0.20 . 1 . . 1 . 100 LYS CA . 26902 1 513 . 1 1 102 102 LYS N N 15 122.77 0.15 . 1 . . 1 . 100 LYS N . 26902 1 514 . 1 1 103 103 LEU H H 1 8.07 0.01 . 1 . . 1 . 101 LEU H . 26902 1 515 . 1 1 103 103 LEU HA H 1 4.26 0.01 . 1 . . 1 . 101 LEU HA . 26902 1 516 . 1 1 103 103 LEU C C 13 176.82 0.20 . 1 . . 1 . 101 LEU C . 26902 1 517 . 1 1 103 103 LEU CA C 13 55.06 0.20 . 1 . . 1 . 101 LEU CA . 26902 1 518 . 1 1 103 103 LEU CB C 13 41.97 0.20 . 1 . . 1 . 101 LEU CB . 26902 1 519 . 1 1 103 103 LEU N N 15 121.64 0.15 . 1 . . 1 . 101 LEU N . 26902 1 520 . 1 1 104 104 TYR H H 1 8.09 0.01 . 1 . . 1 . 102 TYR H . 26902 1 521 . 1 1 104 104 TYR HA H 1 4.53 0.01 . 1 . . 1 . 102 TYR HA . 26902 1 522 . 1 1 104 104 TYR C C 13 175.31 0.20 . 1 . . 1 . 102 TYR C . 26902 1 523 . 1 1 104 104 TYR CA C 13 57.82 0.20 . 1 . . 1 . 102 TYR CA . 26902 1 524 . 1 1 104 104 TYR N N 15 120.73 0.15 . 1 . . 1 . 102 TYR N . 26902 1 525 . 1 1 105 105 LYS H H 1 8.11 0.01 . 1 . . 1 . 103 LYS H . 26902 1 526 . 1 1 105 105 LYS HA H 1 4.25 0.01 . 1 . . 1 . 103 LYS HA . 26902 1 527 . 1 1 105 105 LYS C C 13 175.70 0.20 . 1 . . 1 . 103 LYS C . 26902 1 528 . 1 1 105 105 LYS CA C 13 55.81 0.20 . 1 . . 1 . 103 LYS CA . 26902 1 529 . 1 1 105 105 LYS N N 15 123.30 0.15 . 1 . . 1 . 103 LYS N . 26902 1 530 . 1 1 106 106 GLU H H 1 8.45 0.01 . 1 . . 1 . 104 GLU H . 26902 1 531 . 1 1 106 106 GLU HA H 1 4.26 0.01 . 1 . . 1 . 104 GLU HA . 26902 1 532 . 1 1 106 106 GLU C C 13 176.34 0.20 . 1 . . 1 . 104 GLU C . 26902 1 533 . 1 1 106 106 GLU CA C 13 56.47 0.20 . 1 . . 1 . 104 GLU CA . 26902 1 534 . 1 1 106 106 GLU N N 15 122.05 0.15 . 1 . . 1 . 104 GLU N . 26902 1 535 . 1 1 107 107 THR H H 1 8.28 0.01 . 1 . . 1 . 105 THR H . 26902 1 536 . 1 1 107 107 THR HA H 1 4.33 0.01 . 1 . . 1 . 105 THR HA . 26902 1 537 . 1 1 107 107 THR C C 13 174.00 0.20 . 1 . . 1 . 105 THR C . 26902 1 538 . 1 1 107 107 THR CA C 13 61.71 0.20 . 1 . . 1 . 105 THR CA . 26902 1 539 . 1 1 107 107 THR CB C 13 69.71 0.20 . 1 . . 1 . 105 THR CB . 26902 1 540 . 1 1 107 107 THR N N 15 116.10 0.15 . 1 . . 1 . 105 THR N . 26902 1 541 . 1 1 108 108 ILE H H 1 8.25 0.01 . 1 . . 1 . 106 ILE H . 26902 1 542 . 1 1 108 108 ILE HA H 1 4.21 0.01 . 1 . . 1 . 106 ILE HA . 26902 1 543 . 1 1 108 108 ILE C C 13 175.79 0.20 . 1 . . 1 . 106 ILE C . 26902 1 544 . 1 1 108 108 ILE CA C 13 60.82 0.20 . 1 . . 1 . 106 ILE CA . 26902 1 545 . 1 1 108 108 ILE CB C 13 38.66 0.20 . 1 . . 1 . 106 ILE CB . 26902 1 546 . 1 1 108 108 ILE N N 15 123.58 0.15 . 1 . . 1 . 106 ILE N . 26902 1 547 . 1 1 109 109 GLU H H 1 8.53 0.01 . 1 . . 1 . 107 GLU H . 26902 1 548 . 1 1 109 109 GLU HA H 1 4.31 0.01 . 1 . . 1 . 107 GLU HA . 26902 1 549 . 1 1 109 109 GLU C C 13 175.87 0.20 . 1 . . 1 . 107 GLU C . 26902 1 550 . 1 1 109 109 GLU CA C 13 56.26 0.20 . 1 . . 1 . 107 GLU CA . 26902 1 551 . 1 1 109 109 GLU N N 15 125.38 0.15 . 1 . . 1 . 107 GLU N . 26902 1 552 . 1 1 110 110 THR H H 1 8.14 0.01 . 1 . . 1 . 108 THR H . 26902 1 553 . 1 1 110 110 THR HA H 1 4.30 0.01 . 1 . . 1 . 108 THR HA . 26902 1 554 . 1 1 110 110 THR C C 13 173.69 0.20 . 1 . . 1 . 108 THR C . 26902 1 555 . 1 1 110 110 THR CA C 13 61.07 0.20 . 1 . . 1 . 108 THR CA . 26902 1 556 . 1 1 110 110 THR CB C 13 69.78 0.20 . 1 . . 1 . 108 THR CB . 26902 1 557 . 1 1 110 110 THR N N 15 115.13 0.15 . 1 . . 1 . 108 THR N . 26902 1 558 . 1 1 111 111 PHE H H 1 8.37 0.01 . 1 . . 1 . 109 PHE H . 26902 1 559 . 1 1 111 111 PHE HA H 1 4.66 0.01 . 1 . . 1 . 109 PHE HA . 26902 1 560 . 1 1 111 111 PHE C C 13 175.04 0.20 . 1 . . 1 . 109 PHE C . 26902 1 561 . 1 1 111 111 PHE CA C 13 57.23 0.20 . 1 . . 1 . 109 PHE CA . 26902 1 562 . 1 1 111 111 PHE N N 15 122.08 0.15 . 1 . . 1 . 109 PHE N . 26902 1 563 . 1 1 112 112 ASP H H 1 8.41 0.01 . 1 . . 1 . 110 ASP H . 26902 1 564 . 1 1 112 112 ASP HA H 1 4.59 0.01 . 1 . . 1 . 110 ASP HA . 26902 1 565 . 1 1 112 112 ASP C C 13 175.42 0.20 . 1 . . 1 . 110 ASP C . 26902 1 566 . 1 1 112 112 ASP CA C 13 53.93 0.20 . 1 . . 1 . 110 ASP CA . 26902 1 567 . 1 1 112 112 ASP N N 15 121.90 0.15 . 1 . . 1 . 110 ASP N . 26902 1 568 . 1 1 113 113 ASN H H 1 8.42 0.01 . 1 . . 1 . 111 ASN H . 26902 1 569 . 1 1 113 113 ASN HA H 1 4.68 0.01 . 1 . . 1 . 111 ASN HA . 26902 1 570 . 1 1 113 113 ASN C C 13 174.78 0.20 . 1 . . 1 . 111 ASN C . 26902 1 571 . 1 1 113 113 ASN CA C 13 53.02 0.20 . 1 . . 1 . 111 ASN CA . 26902 1 572 . 1 1 113 113 ASN CB C 13 38.69 0.20 . 1 . . 1 . 111 ASN CB . 26902 1 573 . 1 1 113 113 ASN N N 15 119.32 0.15 . 1 . . 1 . 111 ASN N . 26902 1 574 . 1 1 114 114 ASN H H 1 8.55 0.01 . 1 . . 1 . 112 ASN H . 26902 1 575 . 1 1 114 114 ASN HA H 1 4.70 0.01 . 1 . . 1 . 112 ASN HA . 26902 1 576 . 1 1 114 114 ASN HD21 H 1 7.71 0.01 . 1 . . 1 . 112 ASN HD21 . 26902 1 577 . 1 1 114 114 ASN HD22 H 1 6.99 0.01 . 1 . . 1 . 112 ASN HD22 . 26902 1 578 . 1 1 114 114 ASN C C 13 175.15 0.20 . 1 . . 1 . 112 ASN C . 26902 1 579 . 1 1 114 114 ASN CA C 13 53.31 0.20 . 1 . . 1 . 112 ASN CA . 26902 1 580 . 1 1 114 114 ASN CB C 13 38.71 0.20 . 1 . . 1 . 112 ASN CB . 26902 1 581 . 1 1 114 114 ASN N N 15 119.32 0.15 . 1 . . 1 . 112 ASN N . 26902 1 582 . 1 1 114 114 ASN ND2 N 15 113.33 0.15 . 1 . . 1 . 112 ASN ND2 . 26902 1 583 . 1 1 115 115 GLU H H 1 8.48 0.01 . 1 . . 1 . 113 GLU H . 26902 1 584 . 1 1 115 115 GLU HA H 1 4.27 0.01 . 1 . . 1 . 113 GLU HA . 26902 1 585 . 1 1 115 115 GLU C C 13 176.43 0.20 . 1 . . 1 . 113 GLU C . 26902 1 586 . 1 1 115 115 GLU CA C 13 56.58 0.20 . 1 . . 1 . 113 GLU CA . 26902 1 587 . 1 1 115 115 GLU CB C 13 29.94 0.20 . 1 . . 1 . 113 GLU CB . 26902 1 588 . 1 1 115 115 GLU N N 15 121.13 0.15 . 1 . . 1 . 113 GLU N . 26902 1 589 . 1 1 116 116 GLU H H 1 8.45 0.01 . 1 . . 1 . 114 GLU H . 26902 1 590 . 1 1 116 116 GLU HA H 1 4.27 0.01 . 1 . . 1 . 114 GLU HA . 26902 1 591 . 1 1 116 116 GLU C C 13 176.53 0.20 . 1 . . 1 . 114 GLU C . 26902 1 592 . 1 1 116 116 GLU CA C 13 56.47 0.20 . 1 . . 1 . 114 GLU CA . 26902 1 593 . 1 1 116 116 GLU CB C 13 29.95 0.20 . 1 . . 1 . 114 GLU CB . 26902 1 594 . 1 1 116 116 GLU N N 15 121.48 0.15 . 1 . . 1 . 114 GLU N . 26902 1 595 . 1 1 117 117 GLU H H 1 8.49 0.01 . 1 . . 1 . 115 GLU H . 26902 1 596 . 1 1 117 117 GLU HA H 1 4.22 0.01 . 1 . . 1 . 115 GLU HA . 26902 1 597 . 1 1 117 117 GLU C C 13 176.50 0.20 . 1 . . 1 . 115 GLU C . 26902 1 598 . 1 1 117 117 GLU CA C 13 56.50 0.20 . 1 . . 1 . 115 GLU CA . 26902 1 599 . 1 1 117 117 GLU N N 15 122.08 0.15 . 1 . . 1 . 115 GLU N . 26902 1 600 . 1 1 118 118 SER H H 1 8.44 0.01 . 1 . . 1 . 116 SER H . 26902 1 601 . 1 1 118 118 SER HA H 1 4.46 0.01 . 1 . . 1 . 116 SER HA . 26902 1 602 . 1 1 118 118 SER C C 13 174.36 0.20 . 1 . . 1 . 116 SER C . 26902 1 603 . 1 1 118 118 SER CA C 13 58.25 0.20 . 1 . . 1 . 116 SER CA . 26902 1 604 . 1 1 118 118 SER CB C 13 63.66 0.20 . 1 . . 1 . 116 SER CB . 26902 1 605 . 1 1 118 118 SER N N 15 116.97 0.15 . 1 . . 1 . 116 SER N . 26902 1 606 . 1 1 119 119 SER H H 1 8.35 0.01 . 1 . . 1 . 117 SER H . 26902 1 607 . 1 1 119 119 SER HA H 1 4.44 0.01 . 1 . . 1 . 117 SER HA . 26902 1 608 . 1 1 119 119 SER C C 13 173.80 0.20 . 1 . . 1 . 117 SER C . 26902 1 609 . 1 1 119 119 SER CA C 13 58.15 0.20 . 1 . . 1 . 117 SER CA . 26902 1 610 . 1 1 119 119 SER CB C 13 63.70 0.20 . 1 . . 1 . 117 SER CB . 26902 1 611 . 1 1 119 119 SER N N 15 117.76 0.15 . 1 . . 1 . 117 SER N . 26902 1 612 . 1 1 120 120 TYR H H 1 8.17 0.01 . 1 . . 1 . 118 TYR H . 26902 1 613 . 1 1 120 120 TYR HA H 1 4.56 0.01 . 1 . . 1 . 118 TYR HA . 26902 1 614 . 1 1 120 120 TYR C C 13 175.31 0.20 . 1 . . 1 . 118 TYR C . 26902 1 615 . 1 1 120 120 TYR CA C 13 57.65 0.20 . 1 . . 1 . 118 TYR CA . 26902 1 616 . 1 1 120 120 TYR CB C 13 38.65 0.20 . 1 . . 1 . 118 TYR CB . 26902 1 617 . 1 1 120 120 TYR N N 15 122.13 0.15 . 1 . . 1 . 118 TYR N . 26902 1 618 . 1 1 121 121 SER H H 1 8.18 0.01 . 1 . . 1 . 119 SER H . 26902 1 619 . 1 1 121 121 SER HA H 1 4.41 0.01 . 1 . . 1 . 119 SER HA . 26902 1 620 . 1 1 121 121 SER C C 13 173.51 0.20 . 1 . . 1 . 119 SER C . 26902 1 621 . 1 1 121 121 SER CA C 13 57.52 0.20 . 1 . . 1 . 119 SER CA . 26902 1 622 . 1 1 121 121 SER CB C 13 63.89 0.20 . 1 . . 1 . 119 SER CB . 26902 1 623 . 1 1 121 121 SER N N 15 117.92 0.15 . 1 . . 1 . 119 SER N . 26902 1 624 . 1 1 122 122 TYR H H 1 8.23 0.01 . 1 . . 1 . 120 TYR H . 26902 1 625 . 1 1 122 122 TYR HA H 1 4.51 0.01 . 1 . . 1 . 120 TYR HA . 26902 1 626 . 1 1 122 122 TYR C C 13 174.06 0.20 . 1 . . 1 . 120 TYR C . 26902 1 627 . 1 1 122 122 TYR CA C 13 57.98 0.20 . 1 . . 1 . 120 TYR CA . 26902 1 628 . 1 1 122 122 TYR CB C 13 38.70 0.20 . 1 . . 1 . 120 TYR CB . 26902 1 629 . 1 1 122 122 TYR N N 15 122.73 0.15 . 1 . . 1 . 120 TYR N . 26902 1 630 . 1 1 123 123 GLU H H 1 8.24 0.01 . 1 . . 1 . 121 GLU H . 26902 1 631 . 1 1 123 123 GLU HA H 1 4.22 0.01 . 1 . . 1 . 121 GLU HA . 26902 1 632 . 1 1 123 123 GLU C C 13 175.60 0.20 . 1 . . 1 . 121 GLU C . 26902 1 633 . 1 1 123 123 GLU CA C 13 56.01 0.20 . 1 . . 1 . 121 GLU CA . 26902 1 634 . 1 1 123 123 GLU CB C 13 30.33 0.20 . 1 . . 1 . 121 GLU CB . 26902 1 635 . 1 1 123 123 GLU N N 15 122.60 0.15 . 1 . . 1 . 121 GLU N . 26902 1 636 . 1 1 124 124 GLU H H 1 8.38 0.01 . 1 . . 1 . 122 GLU H . 26902 1 637 . 1 1 124 124 GLU HA H 1 4.24 0.01 . 1 . . 1 . 122 GLU HA . 26902 1 638 . 1 1 124 124 GLU C C 13 176.09 0.20 . 1 . . 1 . 122 GLU C . 26902 1 639 . 1 1 124 124 GLU CA C 13 56.18 0.20 . 1 . . 1 . 122 GLU CA . 26902 1 640 . 1 1 124 124 GLU CB C 13 30.25 0.20 . 1 . . 1 . 122 GLU CB . 26902 1 641 . 1 1 124 124 GLU N N 15 122.39 0.15 . 1 . . 1 . 122 GLU N . 26902 1 642 . 1 1 125 125 ILE H H 1 8.28 0.01 . 1 . . 1 . 123 ILE H . 26902 1 643 . 1 1 125 125 ILE HA H 1 4.16 0.01 . 1 . . 1 . 123 ILE HA . 26902 1 644 . 1 1 125 125 ILE C C 13 175.72 0.20 . 1 . . 1 . 123 ILE C . 26902 1 645 . 1 1 125 125 ILE CA C 13 60.89 0.20 . 1 . . 1 . 123 ILE CA . 26902 1 646 . 1 1 125 125 ILE CB C 13 38.35 0.20 . 1 . . 1 . 123 ILE CB . 26902 1 647 . 1 1 125 125 ILE N N 15 122.47 0.15 . 1 . . 1 . 123 ILE N . 26902 1 648 . 1 1 126 126 ASN H H 1 8.58 0.01 . 1 . . 1 . 124 ASN H . 26902 1 649 . 1 1 126 126 ASN HA H 1 4.79 0.01 . 1 . . 1 . 124 ASN HA . 26902 1 650 . 1 1 126 126 ASN C C 13 174.50 0.20 . 1 . . 1 . 124 ASN C . 26902 1 651 . 1 1 126 126 ASN CA C 13 52.93 0.20 . 1 . . 1 . 124 ASN CA . 26902 1 652 . 1 1 126 126 ASN CB C 13 39.20 0.20 . 1 . . 1 . 124 ASN CB . 26902 1 653 . 1 1 126 126 ASN N N 15 123.17 0.15 . 1 . . 1 . 124 ASN N . 26902 1 654 . 1 1 127 127 ASP H H 1 8.40 0.01 . 1 . . 1 . 125 ASP H . 26902 1 655 . 1 1 127 127 ASP HA H 1 4.63 0.01 . 1 . . 1 . 125 ASP HA . 26902 1 656 . 1 1 127 127 ASP C C 13 175.04 0.20 . 1 . . 1 . 125 ASP C . 26902 1 657 . 1 1 127 127 ASP CA C 13 54.10 0.20 . 1 . . 1 . 125 ASP CA . 26902 1 658 . 1 1 127 127 ASP CB C 13 40.65 0.20 . 1 . . 1 . 125 ASP CB . 26902 1 659 . 1 1 127 127 ASP N N 15 121.62 0.15 . 1 . . 1 . 125 ASP N . 26902 1 660 . 1 1 128 128 GLN H H 1 7.93 0.01 . 1 . . 1 . 126 GLN H . 26902 1 661 . 1 1 128 128 GLN HA H 1 4.15 0.01 . 1 . . 1 . 126 GLN HA . 26902 1 662 . 1 1 128 128 GLN CA C 13 57.06 0.20 . 1 . . 1 . 126 GLN CA . 26902 1 663 . 1 1 128 128 GLN CB C 13 30.19 0.20 . 1 . . 1 . 126 GLN CB . 26902 1 664 . 1 1 128 128 GLN N N 15 124.63 0.15 . 1 . . 1 . 126 GLN N . 26902 1 stop_ save_