data_28137 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28137 _Entry.Title ; Triple Resonance Assignments for the Rabies Phosphoprotein RavP (1-152) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-07-30 _Entry.Accession_date 2020-07-30 _Entry.Last_release_date 2020-07-30 _Entry.Original_release_date 2020-07-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 Nathan Jespersen . . . . 28137 2 Cedric Leyrat . . . . 28137 3 Francine Gerard . C. . . 28137 4 Jean-Marie Bourhis . . . . 28137 5 Danielle Blondel . . . . 28137 6 Marc Jamin . . . . 28137 7 Elisar Barbar . . . . 28137 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Oregon State University' . 28137 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28137 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 258 28137 '15N chemical shifts' 89 28137 '1H chemical shifts' 89 28137 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 . . 2020-08-31 . original BMRB . 28137 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 28138 'Rabies Phosphoprotein RavP C terminus (140-297)' 28137 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28137 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31634467 _Citation.DOI 10.1016/j.jmb.2019.10.011 _Citation.Full_citation . _Citation.Title ; The LC8-RavP ensemble Structure Evinces A Role for LC8 in Regulating Lyssavirus Polymerase Functionality ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 431 _Citation.Journal_issue 24 _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 4959 _Citation.Page_last 4977 _Citation.Year 2019 _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 Nathan Jespersen . . . . 28137 1 2 Cedric Leyrat . . . . 28137 1 3 Francine Gerard . . . . 28137 1 4 Jean-Marie Bourhis . . . . 28137 1 5 Danielle Blondel . . . . 28137 1 6 Marc Jamin . . . . 28137 1 7 Elisar Barbar . . . . 28137 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28137 _Assembly.ID 1 _Assembly.Name 'Rabies Phosphoprotein dimer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 35000 _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 RavP 1 $Rabies_Phosphoprotein_RavP A . yes native no no . . . 28137 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rabies_Phosphoprotein_RavP _Entity.Sf_category entity _Entity.Sf_framecode Rabies_Phosphoprotein_RavP _Entity.Entry_ID 28137 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rabies_Phosphoprotein_RavP _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAHMMSKIFVNPSAIRAGLA DLEMAEETVDLINRNIEDNQ AHLQGEPIEVDNLPEDMGRL HLDGGKSPNPGEMAKVGEGK YREDFQMDEGEDPSLLFQSY LENVGVQIVRQIRSGERFLK IWSQTVEEIISYVAVNFPNP PGKSSEDKSTQTTGREGS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; GAHM sequence at the N-terminus is non-native, leftover from cleavage. C-terminus has a non-endogenous GS sequence. ; _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 158 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Rabies Phosphoprotein residues 1-152' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -3 GLY . 28137 1 2 -2 ALA . 28137 1 3 -1 HIS . 28137 1 4 0 MET . 28137 1 5 1 MET . 28137 1 6 2 SER . 28137 1 7 3 LYS . 28137 1 8 4 ILE . 28137 1 9 5 PHE . 28137 1 10 6 VAL . 28137 1 11 7 ASN . 28137 1 12 8 PRO . 28137 1 13 9 SER . 28137 1 14 10 ALA . 28137 1 15 11 ILE . 28137 1 16 12 ARG . 28137 1 17 13 ALA . 28137 1 18 14 GLY . 28137 1 19 15 LEU . 28137 1 20 16 ALA . 28137 1 21 17 ASP . 28137 1 22 18 LEU . 28137 1 23 19 GLU . 28137 1 24 20 MET . 28137 1 25 21 ALA . 28137 1 26 22 GLU . 28137 1 27 23 GLU . 28137 1 28 24 THR . 28137 1 29 25 VAL . 28137 1 30 26 ASP . 28137 1 31 27 LEU . 28137 1 32 28 ILE . 28137 1 33 29 ASN . 28137 1 34 30 ARG . 28137 1 35 31 ASN . 28137 1 36 32 ILE . 28137 1 37 33 GLU . 28137 1 38 34 ASP . 28137 1 39 35 ASN . 28137 1 40 36 GLN . 28137 1 41 37 ALA . 28137 1 42 38 HIS . 28137 1 43 39 LEU . 28137 1 44 40 GLN . 28137 1 45 41 GLY . 28137 1 46 42 GLU . 28137 1 47 43 PRO . 28137 1 48 44 ILE . 28137 1 49 45 GLU . 28137 1 50 46 VAL . 28137 1 51 47 ASP . 28137 1 52 48 ASN . 28137 1 53 49 LEU . 28137 1 54 50 PRO . 28137 1 55 51 GLU . 28137 1 56 52 ASP . 28137 1 57 53 MET . 28137 1 58 54 GLY . 28137 1 59 55 ARG . 28137 1 60 56 LEU . 28137 1 61 57 HIS . 28137 1 62 58 LEU . 28137 1 63 59 ASP . 28137 1 64 60 GLY . 28137 1 65 61 GLY . 28137 1 66 62 LYS . 28137 1 67 63 SER . 28137 1 68 64 PRO . 28137 1 69 65 ASN . 28137 1 70 66 PRO . 28137 1 71 67 GLY . 28137 1 72 68 GLU . 28137 1 73 69 MET . 28137 1 74 70 ALA . 28137 1 75 71 LYS . 28137 1 76 72 VAL . 28137 1 77 73 GLY . 28137 1 78 74 GLU . 28137 1 79 75 GLY . 28137 1 80 76 LYS . 28137 1 81 77 TYR . 28137 1 82 78 ARG . 28137 1 83 79 GLU . 28137 1 84 80 ASP . 28137 1 85 81 PHE . 28137 1 86 82 GLN . 28137 1 87 83 MET . 28137 1 88 84 ASP . 28137 1 89 85 GLU . 28137 1 90 86 GLY . 28137 1 91 87 GLU . 28137 1 92 88 ASP . 28137 1 93 89 PRO . 28137 1 94 90 SER . 28137 1 95 91 LEU . 28137 1 96 92 LEU . 28137 1 97 93 PHE . 28137 1 98 94 GLN . 28137 1 99 95 SER . 28137 1 100 96 TYR . 28137 1 101 97 LEU . 28137 1 102 98 GLU . 28137 1 103 99 ASN . 28137 1 104 100 VAL . 28137 1 105 101 GLY . 28137 1 106 102 VAL . 28137 1 107 103 GLN . 28137 1 108 104 ILE . 28137 1 109 105 VAL . 28137 1 110 106 ARG . 28137 1 111 107 GLN . 28137 1 112 108 ILE . 28137 1 113 109 ARG . 28137 1 114 110 SER . 28137 1 115 111 GLY . 28137 1 116 112 GLU . 28137 1 117 113 ARG . 28137 1 118 114 PHE . 28137 1 119 115 LEU . 28137 1 120 116 LYS . 28137 1 121 117 ILE . 28137 1 122 118 TRP . 28137 1 123 119 SER . 28137 1 124 120 GLN . 28137 1 125 121 THR . 28137 1 126 122 VAL . 28137 1 127 123 GLU . 28137 1 128 124 GLU . 28137 1 129 125 ILE . 28137 1 130 126 ILE . 28137 1 131 127 SER . 28137 1 132 128 TYR . 28137 1 133 129 VAL . 28137 1 134 130 ALA . 28137 1 135 131 VAL . 28137 1 136 132 ASN . 28137 1 137 133 PHE . 28137 1 138 134 PRO . 28137 1 139 135 ASN . 28137 1 140 136 PRO . 28137 1 141 137 PRO . 28137 1 142 138 GLY . 28137 1 143 139 LYS . 28137 1 144 140 SER . 28137 1 145 141 SER . 28137 1 146 142 GLU . 28137 1 147 143 ASP . 28137 1 148 144 LYS . 28137 1 149 145 SER . 28137 1 150 146 THR . 28137 1 151 147 GLN . 28137 1 152 148 THR . 28137 1 153 149 THR . 28137 1 154 150 GLY . 28137 1 155 151 ARG . 28137 1 156 152 GLU . 28137 1 157 153 GLY . 28137 1 158 154 SER . 28137 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 28137 1 . ALA 2 2 28137 1 . HIS 3 3 28137 1 . MET 4 4 28137 1 . MET 5 5 28137 1 . SER 6 6 28137 1 . LYS 7 7 28137 1 . ILE 8 8 28137 1 . PHE 9 9 28137 1 . VAL 10 10 28137 1 . ASN 11 11 28137 1 . PRO 12 12 28137 1 . SER 13 13 28137 1 . ALA 14 14 28137 1 . ILE 15 15 28137 1 . ARG 16 16 28137 1 . ALA 17 17 28137 1 . GLY 18 18 28137 1 . LEU 19 19 28137 1 . ALA 20 20 28137 1 . ASP 21 21 28137 1 . LEU 22 22 28137 1 . GLU 23 23 28137 1 . MET 24 24 28137 1 . ALA 25 25 28137 1 . GLU 26 26 28137 1 . GLU 27 27 28137 1 . THR 28 28 28137 1 . VAL 29 29 28137 1 . ASP 30 30 28137 1 . LEU 31 31 28137 1 . ILE 32 32 28137 1 . ASN 33 33 28137 1 . ARG 34 34 28137 1 . ASN 35 35 28137 1 . ILE 36 36 28137 1 . GLU 37 37 28137 1 . ASP 38 38 28137 1 . ASN 39 39 28137 1 . GLN 40 40 28137 1 . ALA 41 41 28137 1 . HIS 42 42 28137 1 . LEU 43 43 28137 1 . GLN 44 44 28137 1 . GLY 45 45 28137 1 . GLU 46 46 28137 1 . PRO 47 47 28137 1 . ILE 48 48 28137 1 . GLU 49 49 28137 1 . VAL 50 50 28137 1 . ASP 51 51 28137 1 . ASN 52 52 28137 1 . LEU 53 53 28137 1 . PRO 54 54 28137 1 . GLU 55 55 28137 1 . ASP 56 56 28137 1 . MET 57 57 28137 1 . GLY 58 58 28137 1 . ARG 59 59 28137 1 . LEU 60 60 28137 1 . HIS 61 61 28137 1 . LEU 62 62 28137 1 . ASP 63 63 28137 1 . GLY 64 64 28137 1 . GLY 65 65 28137 1 . LYS 66 66 28137 1 . SER 67 67 28137 1 . PRO 68 68 28137 1 . ASN 69 69 28137 1 . PRO 70 70 28137 1 . GLY 71 71 28137 1 . GLU 72 72 28137 1 . MET 73 73 28137 1 . ALA 74 74 28137 1 . LYS 75 75 28137 1 . VAL 76 76 28137 1 . GLY 77 77 28137 1 . GLU 78 78 28137 1 . GLY 79 79 28137 1 . LYS 80 80 28137 1 . TYR 81 81 28137 1 . ARG 82 82 28137 1 . GLU 83 83 28137 1 . ASP 84 84 28137 1 . PHE 85 85 28137 1 . GLN 86 86 28137 1 . MET 87 87 28137 1 . ASP 88 88 28137 1 . GLU 89 89 28137 1 . GLY 90 90 28137 1 . GLU 91 91 28137 1 . ASP 92 92 28137 1 . PRO 93 93 28137 1 . SER 94 94 28137 1 . LEU 95 95 28137 1 . LEU 96 96 28137 1 . PHE 97 97 28137 1 . GLN 98 98 28137 1 . SER 99 99 28137 1 . TYR 100 100 28137 1 . LEU 101 101 28137 1 . GLU 102 102 28137 1 . ASN 103 103 28137 1 . VAL 104 104 28137 1 . GLY 105 105 28137 1 . VAL 106 106 28137 1 . GLN 107 107 28137 1 . ILE 108 108 28137 1 . VAL 109 109 28137 1 . ARG 110 110 28137 1 . GLN 111 111 28137 1 . ILE 112 112 28137 1 . ARG 113 113 28137 1 . SER 114 114 28137 1 . GLY 115 115 28137 1 . GLU 116 116 28137 1 . ARG 117 117 28137 1 . PHE 118 118 28137 1 . LEU 119 119 28137 1 . LYS 120 120 28137 1 . ILE 121 121 28137 1 . TRP 122 122 28137 1 . SER 123 123 28137 1 . GLN 124 124 28137 1 . THR 125 125 28137 1 . VAL 126 126 28137 1 . GLU 127 127 28137 1 . GLU 128 128 28137 1 . ILE 129 129 28137 1 . ILE 130 130 28137 1 . SER 131 131 28137 1 . TYR 132 132 28137 1 . VAL 133 133 28137 1 . ALA 134 134 28137 1 . VAL 135 135 28137 1 . ASN 136 136 28137 1 . PHE 137 137 28137 1 . PRO 138 138 28137 1 . ASN 139 139 28137 1 . PRO 140 140 28137 1 . PRO 141 141 28137 1 . GLY 142 142 28137 1 . LYS 143 143 28137 1 . SER 144 144 28137 1 . SER 145 145 28137 1 . GLU 146 146 28137 1 . ASP 147 147 28137 1 . LYS 148 148 28137 1 . SER 149 149 28137 1 . THR 150 150 28137 1 . GLN 151 151 28137 1 . THR 152 152 28137 1 . THR 153 153 28137 1 . GLY 154 154 28137 1 . ARG 155 155 28137 1 . GLU 156 156 28137 1 . GLY 157 157 28137 1 . SER 158 158 28137 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 28137 _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 $Rabies_Phosphoprotein_RavP . 11292 virus . 'Rabies Virus' 'Rabies lyssavirus' . . Viruses . Lyssavirus 'Rabies Virus' 'Pasteur vaccins' . . . . . . . . . . P . 28137 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 28137 _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 $Rabies_Phosphoprotein_RavP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta BL21 DE3' . . . . . pET24d+ . . . 28137 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28137 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Rabies Phosphoprotein (RavP)' '[U-99% 13C; U-99% 15N]' . . 1 $Rabies_Phosphoprotein_RavP . . 150 . . uM . . . . 28137 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 28137 1 3 MES 'natural abundance' . . . . . . 25 . . mM . . . . 28137 1 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 28137 1 5 EDTA 'natural abundance' . . . . . . 5 . . mM . . . . 28137 1 6 beta-mercaptoethanol 'natural abundance' . . . . . . 5 . . mM . . . . 28137 1 7 DSS [U-2H] . . . . . . 100 . . uM . . . . 28137 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 28137 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 100 . mM 28137 1 pH 6.5 . pH 28137 1 pressure 1 . atm 28137 1 temperature 298 . K 28137 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 28137 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 28137 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 28137 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 28137 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 28137 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 28137 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 28137 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28137 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28137 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28137 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 28137 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 . . . . . 28137 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 28137 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 28137 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 28137 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 28137 1 2 '3D HNCO' . . . 28137 1 3 '3D HNCACB' . . . 28137 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 12 12 PRO C C 13 174.624 0.2 . 1 . . . . . 8 P CO . 28137 1 2 . 1 . 1 12 12 PRO CA C 13 61.407 0.2 . 1 . . . . . 8 P CA . 28137 1 3 . 1 . 1 12 12 PRO CB C 13 29.539 0.2 . 1 . . . . . 8 P CB . 28137 1 4 . 1 . 1 13 13 SER H H 1 8.156 0.03 . 1 . . . . . 9 S NH . 28137 1 5 . 1 . 1 13 13 SER C C 13 171.881 0.2 . 1 . . . . . 9 S CO . 28137 1 6 . 1 . 1 13 13 SER CA C 13 56.417 0.2 . 1 . . . . . 9 S CA . 28137 1 7 . 1 . 1 13 13 SER CB C 13 60.784 0.2 . 1 . . . . . 9 S CB . 28137 1 8 . 1 . 1 13 13 SER N N 15 114.348 0.2 . 1 . . . . . 9 S N . 28137 1 9 . 1 . 1 14 14 ALA H H 1 7.976 0.03 . 1 . . . . . 10 A NH . 28137 1 10 . 1 . 1 14 14 ALA C C 13 175.143 0.2 . 1 . . . . . 10 A CO . 28137 1 11 . 1 . 1 14 14 ALA CA C 13 50.113 0.2 . 1 . . . . . 10 A CA . 28137 1 12 . 1 . 1 14 14 ALA CB C 13 16.520 0.2 . 1 . . . . . 10 A CB . 28137 1 13 . 1 . 1 14 14 ALA N N 15 125.272 0.2 . 1 . . . . . 10 A N . 28137 1 14 . 1 . 1 15 15 ILE H H 1 7.779 0.03 . 1 . . . . . 11 I NH . 28137 1 15 . 1 . 1 15 15 ILE C C 13 173.855 0.2 . 1 . . . . . 11 I CO . 28137 1 16 . 1 . 1 15 15 ILE CA C 13 58.896 0.2 . 1 . . . . . 11 I CA . 28137 1 17 . 1 . 1 15 15 ILE CB C 13 35.968 0.2 . 1 . . . . . 11 I CB . 28137 1 18 . 1 . 1 15 15 ILE N N 15 119.257 0.2 . 1 . . . . . 11 I N . 28137 1 19 . 1 . 1 16 16 ARG H H 1 8.167 0.03 . 1 . . . . . 12 R NH . 28137 1 20 . 1 . 1 16 16 ARG C C 13 173.266 0.2 . 1 . . . . . 12 R CO . 28137 1 21 . 1 . 1 16 16 ARG CA C 13 53.581 0.2 . 1 . . . . . 12 R CA . 28137 1 22 . 1 . 1 16 16 ARG N N 15 124.270 0.2 . 1 . . . . . 12 R N . 28137 1 23 . 1 . 1 17 17 ALA H H 1 8.156 0.03 . 1 . . . . . 13 A NH . 28137 1 24 . 1 . 1 17 17 ALA C C 13 175.438 0.2 . 1 . . . . . 13 A CO . 28137 1 25 . 1 . 1 17 17 ALA CA C 13 50.191 0.2 . 1 . . . . . 13 A CA . 28137 1 26 . 1 . 1 17 17 ALA CB C 13 16.558 0.2 . 1 . . . . . 13 A CB . 28137 1 27 . 1 . 1 17 17 ALA N N 15 124.778 0.2 . 1 . . . . . 13 A N . 28137 1 28 . 1 . 1 18 18 GLY H H 1 8.290 0.03 . 1 . . . . . 14 G NH . 28137 1 29 . 1 . 1 18 18 GLY C C 13 171.645 0.2 . 1 . . . . . 14 G CO . 28137 1 30 . 1 . 1 18 18 GLY CA C 13 42.735 0.2 . 1 . . . . . 14 G CA . 28137 1 31 . 1 . 1 18 18 GLY N N 15 107.997 0.2 . 1 . . . . . 14 G N . 28137 1 32 . 1 . 1 19 19 LEU H H 1 7.936 0.03 . 1 . . . . . 15 L NH . 28137 1 33 . 1 . 1 19 19 LEU C C 13 174.654 0.2 . 1 . . . . . 15 L CO . 28137 1 34 . 1 . 1 19 19 LEU CA C 13 52.588 0.2 . 1 . . . . . 15 L CA . 28137 1 35 . 1 . 1 19 19 LEU CB C 13 39.704 0.2 . 1 . . . . . 15 L CB . 28137 1 36 . 1 . 1 19 19 LEU N N 15 121.229 0.2 . 1 . . . . . 15 L N . 28137 1 37 . 1 . 1 20 20 ALA H H 1 8.179 0.03 . 1 . . . . . 16 A NH . 28137 1 38 . 1 . 1 20 20 ALA C C 13 174.857 0.2 . 1 . . . . . 16 A CO . 28137 1 39 . 1 . 1 20 20 ALA CA C 13 50.165 0.2 . 1 . . . . . 16 A CA . 28137 1 40 . 1 . 1 20 20 ALA CB C 13 16.569 0.2 . 1 . . . . . 16 A CB . 28137 1 41 . 1 . 1 20 20 ALA N N 15 123.521 0.2 . 1 . . . . . 16 A N . 28137 1 42 . 1 . 1 21 21 ASP H H 1 8.077 0.03 . 1 . . . . . 17 D NH . 28137 1 43 . 1 . 1 21 21 ASP CA C 13 52.067 0.2 . 1 . . . . . 17 D CA . 28137 1 44 . 1 . 1 21 21 ASP CB C 13 38.385 0.2 . 1 . . . . . 17 D CB . 28137 1 45 . 1 . 1 21 21 ASP N N 15 118.635 0.2 . 1 . . . . . 17 D N . 28137 1 46 . 1 . 1 23 23 GLU H H 1 8.402 0.03 . 1 . . . . . 19 E NH . 28137 1 47 . 1 . 1 23 23 GLU C C 13 173.815 0.2 . 1 . . . . . 19 E CO . 28137 1 48 . 1 . 1 23 23 GLU CA C 13 54.089 0.2 . 1 . . . . . 19 E CA . 28137 1 49 . 1 . 1 23 23 GLU CB C 13 27.359 0.2 . 1 . . . . . 19 E CB . 28137 1 50 . 1 . 1 23 23 GLU N N 15 121.663 0.2 . 1 . . . . . 19 E N . 28137 1 51 . 1 . 1 24 24 MET H H 1 8.150 0.03 . 1 . . . . . 20 M NH . 28137 1 52 . 1 . 1 24 24 MET C C 13 173.143 0.2 . 1 . . . . . 20 M CO . 28137 1 53 . 1 . 1 24 24 MET CA C 13 52.641 0.2 . 1 . . . . . 20 M CA . 28137 1 54 . 1 . 1 24 24 MET CB C 13 30.263 0.2 . 1 . . . . . 20 M CB . 28137 1 55 . 1 . 1 24 24 MET N N 15 120.761 0.2 . 1 . . . . . 20 M N . 28137 1 56 . 1 . 1 25 25 ALA H H 1 8.184 0.03 . 1 . . . . . 21 A NH . 28137 1 57 . 1 . 1 25 25 ALA C C 13 175.023 0.2 . 1 . . . . . 21 A CO . 28137 1 58 . 1 . 1 25 25 ALA CA C 13 49.855 0.2 . 1 . . . . . 21 A CA . 28137 1 59 . 1 . 1 25 25 ALA CB C 13 16.683 0.2 . 1 . . . . . 21 A CB . 28137 1 60 . 1 . 1 25 25 ALA N N 15 125.240 0.2 . 1 . . . . . 21 A N . 28137 1 61 . 1 . 1 26 26 GLU H H 1 8.354 0.03 . 1 . . . . . 22 E NH . 28137 1 62 . 1 . 1 26 26 GLU C C 13 174.087 0.2 . 1 . . . . . 22 E CO . 28137 1 63 . 1 . 1 26 26 GLU CA C 13 54.172 0.2 . 1 . . . . . 22 E CA . 28137 1 64 . 1 . 1 26 26 GLU CB C 13 27.754 0.2 . 1 . . . . . 22 E CB . 28137 1 65 . 1 . 1 26 26 GLU N N 15 120.337 0.2 . 1 . . . . . 22 E N . 28137 1 66 . 1 . 1 27 27 GLU H H 1 8.200 0.03 . 1 . . . . . 23 E NH . 28137 1 67 . 1 . 1 27 27 GLU C C 13 174.016 0.2 . 1 . . . . . 23 E CO . 28137 1 68 . 1 . 1 27 27 GLU CA C 13 54.075 0.2 . 1 . . . . . 23 E CA . 28137 1 69 . 1 . 1 27 27 GLU CB C 13 27.594 0.2 . 1 . . . . . 23 E CB . 28137 1 70 . 1 . 1 27 27 GLU N N 15 120.772 0.2 . 1 . . . . . 23 E N . 28137 1 71 . 1 . 1 28 28 THR H H 1 8.097 0.03 . 1 . . . . . 24 T NH . 28137 1 72 . 1 . 1 28 28 THR C C 13 171.977 0.2 . 1 . . . . . 24 T CO . 28137 1 73 . 1 . 1 28 28 THR CA C 13 59.609 0.2 . 1 . . . . . 24 T CA . 28137 1 74 . 1 . 1 28 28 THR CB C 13 67.042 0.2 . 1 . . . . . 24 T CB . 28137 1 75 . 1 . 1 28 28 THR N N 15 115.751 0.2 . 1 . . . . . 24 T N . 28137 1 76 . 1 . 1 29 29 VAL H H 1 8.050 0.03 . 1 . . . . . 25 V NH . 28137 1 77 . 1 . 1 29 29 VAL C C 13 173.029 0.2 . 1 . . . . . 25 V CO . 28137 1 78 . 1 . 1 29 29 VAL CA C 13 60.116 0.2 . 1 . . . . . 25 V CA . 28137 1 79 . 1 . 1 29 29 VAL CB C 13 30.021 0.2 . 1 . . . . . 25 V CB . 28137 1 80 . 1 . 1 29 29 VAL N N 15 122.189 0.2 . 1 . . . . . 25 V N . 28137 1 81 . 1 . 1 30 30 ASP H H 1 8.266 0.03 . 1 . . . . . 26 D NH . 28137 1 82 . 1 . 1 30 30 ASP C C 13 173.604 0.2 . 1 . . . . . 26 D CO . 28137 1 83 . 1 . 1 30 30 ASP CA C 13 51.915 0.2 . 1 . . . . . 26 D CA . 28137 1 84 . 1 . 1 30 30 ASP CB C 13 38.575 0.2 . 1 . . . . . 26 D CB . 28137 1 85 . 1 . 1 30 30 ASP N N 15 123.239 0.2 . 1 . . . . . 26 D N . 28137 1 86 . 1 . 1 31 31 LEU H H 1 8.064 0.03 . 1 . . . . . 27 L NH . 28137 1 87 . 1 . 1 31 31 LEU C C 13 175.011 0.2 . 1 . . . . . 27 L CO . 28137 1 88 . 1 . 1 31 31 LEU CA C 13 53.151 0.2 . 1 . . . . . 27 L CA . 28137 1 89 . 1 . 1 31 31 LEU CB C 13 39.597 0.2 . 1 . . . . . 27 L CB . 28137 1 90 . 1 . 1 31 31 LEU N N 15 122.351 0.2 . 1 . . . . . 27 L N . 28137 1 91 . 1 . 1 32 32 ILE H H 1 7.946 0.03 . 1 . . . . . 28 I NH . 28137 1 92 . 1 . 1 32 32 ILE C C 13 173.595 0.2 . 1 . . . . . 28 I CO . 28137 1 93 . 1 . 1 32 32 ILE CA C 13 59.191 0.2 . 1 . . . . . 28 I CA . 28137 1 94 . 1 . 1 32 32 ILE CB C 13 35.764 0.2 . 1 . . . . . 28 I CB . 28137 1 95 . 1 . 1 32 32 ILE N N 15 120.248 0.2 . 1 . . . . . 28 I N . 28137 1 96 . 1 . 1 33 33 ASN H H 1 8.278 0.03 . 1 . . . . . 29 N NH . 28137 1 97 . 1 . 1 33 33 ASN C C 13 172.636 0.2 . 1 . . . . . 29 N CO . 28137 1 98 . 1 . 1 33 33 ASN CA C 13 50.872 0.2 . 1 . . . . . 29 N CA . 28137 1 99 . 1 . 1 33 33 ASN CB C 13 36.013 0.2 . 1 . . . . . 29 N CB . 28137 1 100 . 1 . 1 33 33 ASN N N 15 121.194 0.2 . 1 . . . . . 29 N N . 28137 1 101 . 1 . 1 34 34 ARG H H 1 8.124 0.03 . 1 . . . . . 30 R NH . 28137 1 102 . 1 . 1 34 34 ARG C C 13 173.357 0.2 . 1 . . . . . 30 R CO . 28137 1 103 . 1 . 1 34 34 ARG CA C 13 53.812 0.2 . 1 . . . . . 30 R CA . 28137 1 104 . 1 . 1 34 34 ARG CB C 13 28.038 0.2 . 1 . . . . . 30 R CB . 28137 1 105 . 1 . 1 34 34 ARG N N 15 121.267 0.2 . 1 . . . . . 30 R N . 28137 1 106 . 1 . 1 35 35 ASN H H 1 8.358 0.03 . 1 . . . . . 31 N NH . 28137 1 107 . 1 . 1 35 35 ASN C C 13 172.688 0.2 . 1 . . . . . 31 N CO . 28137 1 108 . 1 . 1 35 35 ASN CA C 13 50.896 0.2 . 1 . . . . . 31 N CA . 28137 1 109 . 1 . 1 35 35 ASN CB C 13 36.116 0.2 . 1 . . . . . 31 N CB . 28137 1 110 . 1 . 1 35 35 ASN N N 15 119.548 0.2 . 1 . . . . . 31 N N . 28137 1 111 . 1 . 1 36 36 ILE H H 1 7.977 0.03 . 1 . . . . . 32 I NH . 28137 1 112 . 1 . 1 36 36 ILE C C 13 173.714 0.2 . 1 . . . . . 32 I CO . 28137 1 113 . 1 . 1 36 36 ILE CA C 13 59.046 0.2 . 1 . . . . . 32 I CA . 28137 1 114 . 1 . 1 36 36 ILE CB C 13 36.036 0.2 . 1 . . . . . 32 I CB . 28137 1 115 . 1 . 1 36 36 ILE N N 15 120.816 0.2 . 1 . . . . . 32 I N . 28137 1 116 . 1 . 1 37 37 GLU H H 1 8.353 0.03 . 1 . . . . . 33 E NH . 28137 1 117 . 1 . 1 37 37 GLU C C 13 173.704 0.2 . 1 . . . . . 33 E CO . 28137 1 118 . 1 . 1 37 37 GLU CA C 13 54.211 0.2 . 1 . . . . . 33 E CA . 28137 1 119 . 1 . 1 37 37 GLU CB C 13 27.437 0.2 . 1 . . . . . 33 E CB . 28137 1 120 . 1 . 1 37 37 GLU N N 15 123.695 0.2 . 1 . . . . . 33 E N . 28137 1 121 . 1 . 1 38 38 ASP H H 1 8.217 0.03 . 1 . . . . . 34 D NH . 28137 1 122 . 1 . 1 38 38 ASP C C 13 173.610 0.2 . 1 . . . . . 34 D CO . 28137 1 123 . 1 . 1 38 38 ASP CA C 13 51.803 0.2 . 1 . . . . . 34 D CA . 28137 1 124 . 1 . 1 38 38 ASP CB C 13 38.468 0.2 . 1 . . . . . 34 D CB . 28137 1 125 . 1 . 1 38 38 ASP N N 15 121.222 0.2 . 1 . . . . . 34 D N . 28137 1 126 . 1 . 1 39 39 ASN H H 1 8.287 0.03 . 1 . . . . . 35 N NH . 28137 1 127 . 1 . 1 39 39 ASN C C 13 172.937 0.2 . 1 . . . . . 35 N CO . 28137 1 128 . 1 . 1 39 39 ASN CA C 13 50.963 0.2 . 1 . . . . . 35 N CA . 28137 1 129 . 1 . 1 39 39 ASN CB C 13 36.077 0.2 . 1 . . . . . 35 N CB . 28137 1 130 . 1 . 1 39 39 ASN N N 15 119.344 0.2 . 1 . . . . . 35 N N . 28137 1 131 . 1 . 1 40 40 GLN H H 1 8.250 0.03 . 1 . . . . . 36 Q NH . 28137 1 132 . 1 . 1 40 40 GLN C C 13 173.394 0.2 . 1 . . . . . 36 Q CO . 28137 1 133 . 1 . 1 40 40 GLN CA C 13 53.570 0.2 . 1 . . . . . 36 Q CA . 28137 1 134 . 1 . 1 40 40 GLN CB C 13 26.494 0.2 . 1 . . . . . 36 Q CB . 28137 1 135 . 1 . 1 40 40 GLN N N 15 119.617 0.2 . 1 . . . . . 36 Q N . 28137 1 136 . 1 . 1 41 41 ALA H H 1 8.079 0.03 . 1 . . . . . 37 A NH . 28137 1 137 . 1 . 1 41 41 ALA C C 13 175.095 0.2 . 1 . . . . . 37 A CO . 28137 1 138 . 1 . 1 41 41 ALA CA C 13 50.418 0.2 . 1 . . . . . 37 A CA . 28137 1 139 . 1 . 1 41 41 ALA CB C 13 16.255 0.2 . 1 . . . . . 37 A CB . 28137 1 140 . 1 . 1 41 41 ALA N N 15 123.683 0.2 . 1 . . . . . 37 A N . 28137 1 141 . 1 . 1 42 42 HIS H H 1 8.200 0.03 . 1 . . . . . 38 H NH . 28137 1 142 . 1 . 1 42 42 HIS C C 13 172.317 0.2 . 1 . . . . . 38 H CO . 28137 1 143 . 1 . 1 42 42 HIS CA C 13 53.020 0.2 . 1 . . . . . 38 H CA . 28137 1 144 . 1 . 1 42 42 HIS CB C 13 26.905 0.2 . 1 . . . . . 38 H CB . 28137 1 145 . 1 . 1 42 42 HIS N N 15 117.177 0.2 . 1 . . . . . 38 H N . 28137 1 146 . 1 . 1 43 43 LEU H H 1 8.033 0.03 . 1 . . . . . 39 L NH . 28137 1 147 . 1 . 1 43 43 LEU C C 13 174.607 0.2 . 1 . . . . . 39 L CO . 28137 1 148 . 1 . 1 43 43 LEU CA C 13 52.544 0.2 . 1 . . . . . 39 L CA . 28137 1 149 . 1 . 1 43 43 LEU CB C 13 39.544 0.2 . 1 . . . . . 39 L CB . 28137 1 150 . 1 . 1 43 43 LEU N N 15 122.893 0.2 . 1 . . . . . 39 L N . 28137 1 151 . 1 . 1 44 44 GLN H H 1 8.276 0.03 . 1 . . . . . 40 Q NH . 28137 1 152 . 1 . 1 44 44 GLN C C 13 173.556 0.2 . 1 . . . . . 40 Q CO . 28137 1 153 . 1 . 1 44 44 GLN CA C 13 53.318 0.2 . 1 . . . . . 40 Q CA . 28137 1 154 . 1 . 1 44 44 GLN CB C 13 26.729 0.2 . 1 . . . . . 40 Q CB . 28137 1 155 . 1 . 1 44 44 GLN N N 15 120.632 0.2 . 1 . . . . . 40 Q N . 28137 1 156 . 1 . 1 45 45 GLY H H 1 8.265 0.03 . 1 . . . . . 41 G NH . 28137 1 157 . 1 . 1 45 45 GLY C C 13 170.951 0.2 . 1 . . . . . 41 G CO . 28137 1 158 . 1 . 1 45 45 GLY N N 15 110.006 0.2 . 1 . . . . . 41 G N . 28137 1 159 . 1 . 1 46 46 GLU H H 1 8.136 0.03 . 1 . . . . . 42 E NH . 28137 1 160 . 1 . 1 46 46 GLU CA C 13 51.657 0.2 . 1 . . . . . 42 E CA . 28137 1 161 . 1 . 1 46 46 GLU CB C 13 26.947 0.2 . 1 . . . . . 42 E CB . 28137 1 162 . 1 . 1 46 46 GLU N N 15 121.638 0.2 . 1 . . . . . 42 E N . 28137 1 163 . 1 . 1 47 47 PRO CA C 13 60.389 0.2 . 1 . . . . . 43 P CA . 28137 1 164 . 1 . 1 47 47 PRO CB C 13 29.270 0.2 . 1 . . . . . 43 P CB . 28137 1 165 . 1 . 1 48 48 ILE H H 1 8.128 0.03 . 1 . . . . . 44 I NH . 28137 1 166 . 1 . 1 48 48 ILE C C 13 173.426 0.2 . 1 . . . . . 44 I CO . 28137 1 167 . 1 . 1 48 48 ILE CA C 13 58.398 0.2 . 1 . . . . . 44 I CA . 28137 1 168 . 1 . 1 48 48 ILE CB C 13 36.346 0.2 . 1 . . . . . 44 I CB . 28137 1 169 . 1 . 1 48 48 ILE N N 15 120.985 0.2 . 1 . . . . . 44 I N . 28137 1 170 . 1 . 1 49 49 GLU H H 1 8.389 0.03 . 1 . . . . . 45 E NH . 28137 1 171 . 1 . 1 49 49 GLU CA C 13 53.595 0.2 . 1 . . . . . 45 E CA . 28137 1 172 . 1 . 1 49 49 GLU CB C 13 27.687 0.2 . 1 . . . . . 45 E CB . 28137 1 173 . 1 . 1 49 49 GLU N N 15 125.239 0.2 . 1 . . . . . 45 E N . 28137 1 174 . 1 . 1 50 50 VAL H H 1 8.131 0.03 . 1 . . . . . 46 V NH . 28137 1 175 . 1 . 1 50 50 VAL C C 13 172.983 0.2 . 1 . . . . . 46 V CO . 28137 1 176 . 1 . 1 50 50 VAL CA C 13 59.388 0.2 . 1 . . . . . 46 V CA . 28137 1 177 . 1 . 1 50 50 VAL CB C 13 30.403 0.2 . 1 . . . . . 46 V CB . 28137 1 178 . 1 . 1 50 50 VAL N N 15 120.671 0.2 . 1 . . . . . 46 V N . 28137 1 179 . 1 . 1 51 51 ASP H H 1 8.302 0.03 . 1 . . . . . 47 D NH . 28137 1 180 . 1 . 1 51 51 ASP C C 13 172.979 0.2 . 1 . . . . . 47 D CO . 28137 1 181 . 1 . 1 51 51 ASP CA C 13 51.707 0.2 . 1 . . . . . 47 D CA . 28137 1 182 . 1 . 1 51 51 ASP CB C 13 38.590 0.2 . 1 . . . . . 47 D CB . 28137 1 183 . 1 . 1 51 51 ASP N N 15 123.062 0.2 . 1 . . . . . 47 D N . 28137 1 184 . 1 . 1 52 52 ASN H H 1 8.216 0.03 . 1 . . . . . 48 N NH . 28137 1 185 . 1 . 1 52 52 ASN C C 13 171.996 0.2 . 1 . . . . . 48 N CO . 28137 1 186 . 1 . 1 52 52 ASN CA C 13 50.326 0.2 . 1 . . . . . 48 N CA . 28137 1 187 . 1 . 1 52 52 ASN CB C 13 36.428 0.2 . 1 . . . . . 48 N CB . 28137 1 188 . 1 . 1 52 52 ASN N N 15 118.578 0.2 . 1 . . . . . 48 N N . 28137 1 189 . 1 . 1 53 53 LEU H H 1 8.194 0.03 . 1 . . . . . 49 L NH . 28137 1 190 . 1 . 1 53 53 LEU CA C 13 50.550 0.2 . 1 . . . . . 49 L CA . 28137 1 191 . 1 . 1 53 53 LEU CB C 13 38.856 0.2 . 1 . . . . . 49 L CB . 28137 1 192 . 1 . 1 53 53 LEU N N 15 123.495 0.2 . 1 . . . . . 49 L N . 28137 1 193 . 1 . 1 54 54 PRO C C 13 174.596 0.2 . 1 . . . . . 50 P CO . 28137 1 194 . 1 . 1 54 54 PRO CA C 13 60.658 0.2 . 1 . . . . . 50 P CA . 28137 1 195 . 1 . 1 54 54 PRO CB C 13 29.413 0.2 . 1 . . . . . 50 P CB . 28137 1 196 . 1 . 1 55 55 GLU H H 1 8.535 0.03 . 1 . . . . . 51 E NH . 28137 1 197 . 1 . 1 55 55 GLU C C 13 173.781 0.2 . 1 . . . . . 51 E CO . 28137 1 198 . 1 . 1 55 55 GLU CA C 13 54.510 0.2 . 1 . . . . . 51 E CA . 28137 1 199 . 1 . 1 55 55 GLU CB C 13 27.425 0.2 . 1 . . . . . 51 E CB . 28137 1 200 . 1 . 1 55 55 GLU N N 15 120.641 0.2 . 1 . . . . . 51 E N . 28137 1 201 . 1 . 1 56 56 ASP H H 1 8.244 0.03 . 1 . . . . . 52 D NH . 28137 1 202 . 1 . 1 56 56 ASP C C 13 174.031 0.2 . 1 . . . . . 52 D CO . 28137 1 203 . 1 . 1 56 56 ASP CA C 13 51.668 0.2 . 1 . . . . . 52 D CA . 28137 1 204 . 1 . 1 56 56 ASP CB C 13 38.415 0.2 . 1 . . . . . 52 D CB . 28137 1 205 . 1 . 1 56 56 ASP N N 15 120.417 0.2 . 1 . . . . . 52 D N . 28137 1 206 . 1 . 1 57 57 MET H H 1 8.231 0.03 . 1 . . . . . 53 M NH . 28137 1 207 . 1 . 1 57 57 MET C C 13 174.558 0.2 . 1 . . . . . 53 M CO . 28137 1 208 . 1 . 1 57 57 MET CA C 13 53.456 0.2 . 1 . . . . . 53 M CA . 28137 1 209 . 1 . 1 57 57 MET CB C 13 29.692 0.2 . 1 . . . . . 53 M CB . 28137 1 210 . 1 . 1 57 57 MET N N 15 120.941 0.2 . 1 . . . . . 53 M N . 28137 1 211 . 1 . 1 58 58 GLY H H 1 8.437 0.03 . 1 . . . . . 54 G NH . 28137 1 212 . 1 . 1 58 58 GLY C C 13 171.877 0.2 . 1 . . . . . 54 G CO . 28137 1 213 . 1 . 1 58 58 GLY CA C 13 43.139 0.2 . 1 . . . . . 54 G CA . 28137 1 214 . 1 . 1 58 58 GLY N N 15 108.885 0.2 . 1 . . . . . 54 G N . 28137 1 215 . 1 . 1 59 59 ARG H H 1 7.866 0.03 . 1 . . . . . 55 R NH . 28137 1 216 . 1 . 1 59 59 ARG C C 13 173.648 0.2 . 1 . . . . . 55 R CO . 28137 1 217 . 1 . 1 59 59 ARG CA C 13 53.730 0.2 . 1 . . . . . 55 R CA . 28137 1 218 . 1 . 1 59 59 ARG CB C 13 27.948 0.2 . 1 . . . . . 55 R CB . 28137 1 219 . 1 . 1 59 59 ARG N N 15 119.686 0.2 . 1 . . . . . 55 R N . 28137 1 220 . 1 . 1 60 60 LEU H H 1 7.993 0.03 . 1 . . . . . 56 L NH . 28137 1 221 . 1 . 1 60 60 LEU C C 13 174.366 0.2 . 1 . . . . . 56 L CO . 28137 1 222 . 1 . 1 60 60 LEU CA C 13 52.737 0.2 . 1 . . . . . 56 L CA . 28137 1 223 . 1 . 1 60 60 LEU CB C 13 39.659 0.2 . 1 . . . . . 56 L CB . 28137 1 224 . 1 . 1 60 60 LEU N N 15 121.588 0.2 . 1 . . . . . 56 L N . 28137 1 225 . 1 . 1 61 61 HIS H H 1 8.271 0.03 . 1 . . . . . 57 H NH . 28137 1 226 . 1 . 1 61 61 HIS C C 13 172.215 0.2 . 1 . . . . . 57 H CO . 28137 1 227 . 1 . 1 61 61 HIS CA C 13 52.930 0.2 . 1 . . . . . 57 H CA . 28137 1 228 . 1 . 1 61 61 HIS CB C 13 26.930 0.2 . 1 . . . . . 57 H CB . 28137 1 229 . 1 . 1 61 61 HIS N N 15 119.148 0.2 . 1 . . . . . 57 H N . 28137 1 230 . 1 . 1 62 62 LEU H H 1 8.126 0.03 . 1 . . . . . 58 L NH . 28137 1 231 . 1 . 1 62 62 LEU C C 13 174.365 0.2 . 1 . . . . . 58 L CO . 28137 1 232 . 1 . 1 62 62 LEU CA C 13 52.490 0.2 . 1 . . . . . 58 L CA . 28137 1 233 . 1 . 1 62 62 LEU CB C 13 39.633 0.2 . 1 . . . . . 58 L CB . 28137 1 234 . 1 . 1 62 62 LEU N N 15 123.328 0.2 . 1 . . . . . 58 L N . 28137 1 235 . 1 . 1 63 63 ASP H H 1 8.311 0.03 . 1 . . . . . 59 D NH . 28137 1 236 . 1 . 1 63 63 ASP C C 13 174.136 0.2 . 1 . . . . . 59 D CO . 28137 1 237 . 1 . 1 63 63 ASP CA C 13 51.669 0.2 . 1 . . . . . 59 D CA . 28137 1 238 . 1 . 1 63 63 ASP CB C 13 38.609 0.2 . 1 . . . . . 59 D CB . 28137 1 239 . 1 . 1 63 63 ASP N N 15 120.719 0.2 . 1 . . . . . 59 D N . 28137 1 240 . 1 . 1 64 64 GLY H H 1 8.306 0.03 . 1 . . . . . 60 G NH . 28137 1 241 . 1 . 1 64 64 GLY C C 13 172.256 0.2 . 1 . . . . . 60 G CO . 28137 1 242 . 1 . 1 64 64 GLY CA C 13 42.995 0.2 . 1 . . . . . 60 G CA . 28137 1 243 . 1 . 1 64 64 GLY N N 15 109.492 0.2 . 1 . . . . . 60 G N . 28137 1 244 . 1 . 1 65 65 GLY H H 1 8.266 0.03 . 1 . . . . . 61 G NH . 28137 1 245 . 1 . 1 65 65 GLY C C 13 171.325 0.2 . 1 . . . . . 61 G CO . 28137 1 246 . 1 . 1 65 65 GLY CA C 13 42.645 0.2 . 1 . . . . . 61 G CA . 28137 1 247 . 1 . 1 65 65 GLY N N 15 108.571 0.2 . 1 . . . . . 61 G N . 28137 1 248 . 1 . 1 66 66 LYS H H 1 7.991 0.03 . 1 . . . . . 62 K NH . 28137 1 249 . 1 . 1 66 66 LYS C C 13 173.710 0.2 . 1 . . . . . 62 K CO . 28137 1 250 . 1 . 1 66 66 LYS CA C 13 53.263 0.2 . 1 . . . . . 62 K CA . 28137 1 251 . 1 . 1 66 66 LYS CB C 13 30.603 0.2 . 1 . . . . . 62 K CB . 28137 1 252 . 1 . 1 66 66 LYS N N 15 120.289 0.2 . 1 . . . . . 62 K N . 28137 1 253 . 1 . 1 67 67 SER H H 1 8.324 0.03 . 1 . . . . . 63 S NH . 28137 1 254 . 1 . 1 67 67 SER CA C 13 53.828 0.2 . 1 . . . . . 63 S CA . 28137 1 255 . 1 . 1 67 67 SER CB C 13 60.687 0.2 . 1 . . . . . 63 S CB . 28137 1 256 . 1 . 1 67 67 SER N N 15 118.596 0.2 . 1 . . . . . 63 S N . 28137 1 257 . 1 . 1 70 70 PRO C C 13 175.001 0.2 . 1 . . . . . 66 P CO . 28137 1 258 . 1 . 1 70 70 PRO CA C 13 61.392 0.2 . 1 . . . . . 66 P CA . 28137 1 259 . 1 . 1 70 70 PRO CB C 13 29.306 0.2 . 1 . . . . . 66 P CB . 28137 1 260 . 1 . 1 71 71 GLY H H 1 8.378 0.03 . 1 . . . . . 67 G NH . 28137 1 261 . 1 . 1 71 71 GLY C C 13 171.744 0.2 . 1 . . . . . 67 G CO . 28137 1 262 . 1 . 1 71 71 GLY CA C 13 42.770 0.2 . 1 . . . . . 67 G CA . 28137 1 263 . 1 . 1 71 71 GLY N N 15 108.458 0.2 . 1 . . . . . 67 G N . 28137 1 264 . 1 . 1 72 72 GLU H H 1 7.944 0.03 . 1 . . . . . 68 E NH . 28137 1 265 . 1 . 1 72 72 GLU CA C 13 54.020 0.2 . 1 . . . . . 68 E CA . 28137 1 266 . 1 . 1 72 72 GLU CB C 13 27.709 0.2 . 1 . . . . . 68 E CB . 28137 1 267 . 1 . 1 72 72 GLU N N 15 120.293 0.2 . 1 . . . . . 68 E N . 28137 1 268 . 1 . 1 73 73 MET H H 1 8.207 0.03 . 1 . . . . . 69 M NH . 28137 1 269 . 1 . 1 73 73 MET C C 13 173.407 0.2 . 1 . . . . . 69 M CO . 28137 1 270 . 1 . 1 73 73 MET CA C 13 52.900 0.2 . 1 . . . . . 69 M CA . 28137 1 271 . 1 . 1 73 73 MET CB C 13 30.191 0.2 . 1 . . . . . 69 M CB . 28137 1 272 . 1 . 1 73 73 MET N N 15 120.774 0.2 . 1 . . . . . 69 M N . 28137 1 273 . 1 . 1 74 74 ALA H H 1 8.133 0.03 . 1 . . . . . 70 A NH . 28137 1 274 . 1 . 1 74 74 ALA C C 13 174.902 0.2 . 1 . . . . . 70 A CO . 28137 1 275 . 1 . 1 74 74 ALA CA C 13 49.937 0.2 . 1 . . . . . 70 A CA . 28137 1 276 . 1 . 1 74 74 ALA CB C 13 16.494 0.2 . 1 . . . . . 70 A CB . 28137 1 277 . 1 . 1 74 74 ALA N N 15 124.624 0.2 . 1 . . . . . 70 A N . 28137 1 278 . 1 . 1 75 75 LYS H H 1 8.143 0.03 . 1 . . . . . 71 K NH . 28137 1 279 . 1 . 1 75 75 LYS C C 13 174.002 0.2 . 1 . . . . . 71 K CO . 28137 1 280 . 1 . 1 75 75 LYS CA C 13 53.478 0.2 . 1 . . . . . 71 K CA . 28137 1 281 . 1 . 1 75 75 LYS CB C 13 30.365 0.2 . 1 . . . . . 71 K CB . 28137 1 282 . 1 . 1 75 75 LYS N N 15 120.507 0.2 . 1 . . . . . 71 K N . 28137 1 283 . 1 . 1 76 76 VAL H H 1 8.046 0.03 . 1 . . . . . 72 V NH . 28137 1 284 . 1 . 1 76 76 VAL C C 13 174.028 0.2 . 1 . . . . . 72 V CO . 28137 1 285 . 1 . 1 76 76 VAL CA C 13 60.030 0.2 . 1 . . . . . 72 V CA . 28137 1 286 . 1 . 1 76 76 VAL CB C 13 30.210 0.2 . 1 . . . . . 72 V CB . 28137 1 287 . 1 . 1 76 76 VAL N N 15 121.047 0.2 . 1 . . . . . 72 V N . 28137 1 288 . 1 . 1 77 77 GLY H H 1 8.395 0.03 . 1 . . . . . 73 G NH . 28137 1 289 . 1 . 1 77 77 GLY C C 13 171.380 0.2 . 1 . . . . . 73 G CO . 28137 1 290 . 1 . 1 77 77 GLY CA C 13 42.612 0.2 . 1 . . . . . 73 G CA . 28137 1 291 . 1 . 1 77 77 GLY N N 15 112.354 0.2 . 1 . . . . . 73 G N . 28137 1 292 . 1 . 1 78 78 GLU H H 1 8.191 0.03 . 1 . . . . . 74 E NH . 28137 1 293 . 1 . 1 78 78 GLU C C 13 174.383 0.2 . 1 . . . . . 74 E CO . 28137 1 294 . 1 . 1 78 78 GLU CA C 13 53.976 0.2 . 1 . . . . . 74 E CA . 28137 1 295 . 1 . 1 78 78 GLU CB C 13 27.793 0.2 . 1 . . . . . 74 E CB . 28137 1 296 . 1 . 1 78 78 GLU N N 15 120.402 0.2 . 1 . . . . . 74 E N . 28137 1 297 . 1 . 1 79 79 GLY H H 1 8.431 0.03 . 1 . . . . . 75 G NH . 28137 1 298 . 1 . 1 79 79 GLY C C 13 171.356 0.2 . 1 . . . . . 75 G CO . 28137 1 299 . 1 . 1 79 79 GLY CA C 13 42.834 0.2 . 1 . . . . . 75 G CA . 28137 1 300 . 1 . 1 79 79 GLY N N 15 109.875 0.2 . 1 . . . . . 75 G N . 28137 1 301 . 1 . 1 80 80 LYS H H 1 7.976 0.03 . 1 . . . . . 76 K NH . 28137 1 302 . 1 . 1 80 80 LYS CA C 13 53.630 0.2 . 1 . . . . . 76 K CA . 28137 1 303 . 1 . 1 80 80 LYS CB C 13 30.377 0.2 . 1 . . . . . 76 K CB . 28137 1 304 . 1 . 1 80 80 LYS N N 15 120.611 0.2 . 1 . . . . . 76 K N . 28137 1 305 . 1 . 1 81 81 TYR H H 1 8.134 0.03 . 1 . . . . . 77 Y NH . 28137 1 306 . 1 . 1 81 81 TYR C C 13 172.854 0.2 . 1 . . . . . 77 Y CO . 28137 1 307 . 1 . 1 81 81 TYR CA C 13 55.228 0.2 . 1 . . . . . 77 Y CA . 28137 1 308 . 1 . 1 81 81 TYR CB C 13 36.185 0.2 . 1 . . . . . 77 Y CB . 28137 1 309 . 1 . 1 81 81 TYR N N 15 120.973 0.2 . 1 . . . . . 77 Y N . 28137 1 310 . 1 . 1 82 82 ARG H H 1 8.013 0.03 . 1 . . . . . 78 R NH . 28137 1 311 . 1 . 1 82 82 ARG C C 13 173.183 0.2 . 1 . . . . . 78 R CO . 28137 1 312 . 1 . 1 82 82 ARG CA C 13 53.310 0.2 . 1 . . . . . 78 R CA . 28137 1 313 . 1 . 1 82 82 ARG CB C 13 28.547 0.2 . 1 . . . . . 78 R CB . 28137 1 314 . 1 . 1 82 82 ARG N N 15 122.683 0.2 . 1 . . . . . 78 R N . 28137 1 315 . 1 . 1 83 83 GLU H H 1 8.398 0.03 . 1 . . . . . 79 E NH . 28137 1 316 . 1 . 1 83 83 GLU C C 13 173.366 0.2 . 1 . . . . . 79 E CO . 28137 1 317 . 1 . 1 83 83 GLU CA C 13 54.169 0.2 . 1 . . . . . 79 E CA . 28137 1 318 . 1 . 1 83 83 GLU CB C 13 27.529 0.2 . 1 . . . . . 79 E CB . 28137 1 319 . 1 . 1 83 83 GLU N N 15 121.857 0.2 . 1 . . . . . 79 E N . 28137 1 320 . 1 . 1 84 84 ASP H H 1 8.251 0.03 . 1 . . . . . 80 D NH . 28137 1 321 . 1 . 1 84 84 ASP C C 13 173.089 0.2 . 1 . . . . . 80 D CO . 28137 1 322 . 1 . 1 84 84 ASP CA C 13 51.564 0.2 . 1 . . . . . 80 D CA . 28137 1 323 . 1 . 1 84 84 ASP CB C 13 38.297 0.2 . 1 . . . . . 80 D CB . 28137 1 324 . 1 . 1 84 84 ASP N N 15 120.062 0.2 . 1 . . . . . 80 D N . 28137 1 325 . 1 . 1 85 85 PHE H H 1 7.946 0.03 . 1 . . . . . 81 F NH . 28137 1 326 . 1 . 1 85 85 PHE C C 13 172.539 0.2 . 1 . . . . . 81 F CO . 28137 1 327 . 1 . 1 85 85 PHE CA C 13 55.138 0.2 . 1 . . . . . 81 F CA . 28137 1 328 . 1 . 1 85 85 PHE CB C 13 36.827 0.2 . 1 . . . . . 81 F CB . 28137 1 329 . 1 . 1 85 85 PHE N N 15 119.753 0.2 . 1 . . . . . 81 F N . 28137 1 330 . 1 . 1 86 86 GLN H H 1 8.106 0.03 . 1 . . . . . 82 Q NH . 28137 1 331 . 1 . 1 86 86 GLN C C 13 172.655 0.2 . 1 . . . . . 82 Q CO . 28137 1 332 . 1 . 1 86 86 GLN CA C 13 52.816 0.2 . 1 . . . . . 82 Q CA . 28137 1 333 . 1 . 1 86 86 GLN CB C 13 26.937 0.2 . 1 . . . . . 82 Q CB . 28137 1 334 . 1 . 1 86 86 GLN N N 15 122.181 0.2 . 1 . . . . . 82 Q N . 28137 1 335 . 1 . 1 87 87 MET H H 1 8.282 0.03 . 1 . . . . . 83 M NH . 28137 1 336 . 1 . 1 87 87 MET C C 13 173.016 0.2 . 1 . . . . . 83 M CO . 28137 1 337 . 1 . 1 87 87 MET CA C 13 52.830 0.2 . 1 . . . . . 83 M CA . 28137 1 338 . 1 . 1 87 87 MET CB C 13 30.545 0.2 . 1 . . . . . 83 M CB . 28137 1 339 . 1 . 1 87 87 MET N N 15 121.997 0.2 . 1 . . . . . 83 M N . 28137 1 340 . 1 . 1 88 88 ASP H H 1 8.349 0.03 . 1 . . . . . 84 D NH . 28137 1 341 . 1 . 1 88 88 ASP C C 13 173.545 0.2 . 1 . . . . . 84 D CO . 28137 1 342 . 1 . 1 88 88 ASP CA C 13 51.707 0.2 . 1 . . . . . 84 D CA . 28137 1 343 . 1 . 1 88 88 ASP CB C 13 38.774 0.2 . 1 . . . . . 84 D CB . 28137 1 344 . 1 . 1 88 88 ASP N N 15 122.031 0.2 . 1 . . . . . 84 D N . 28137 1 345 . 1 . 1 89 89 GLU H H 1 8.421 0.03 . 1 . . . . . 85 E NH . 28137 1 346 . 1 . 1 89 89 GLU C C 13 174.249 0.2 . 1 . . . . . 85 E CO . 28137 1 347 . 1 . 1 89 89 GLU CA C 13 54.256 0.2 . 1 . . . . . 85 E CA . 28137 1 348 . 1 . 1 89 89 GLU CB C 13 27.556 0.2 . 1 . . . . . 85 E CB . 28137 1 349 . 1 . 1 89 89 GLU N N 15 121.691 0.2 . 1 . . . . . 85 E N . 28137 1 350 . 1 . 1 90 90 GLY H H 1 8.385 0.03 . 1 . . . . . 86 G NH . 28137 1 351 . 1 . 1 90 90 GLY CA C 13 42.601 0.2 . 1 . . . . . 86 G CA . 28137 1 352 . 1 . 1 90 90 GLY N N 15 109.275 0.2 . 1 . . . . . 86 G N . 28137 1 353 . 1 . 1 141 141 PRO C C 13 174.854 0.2 . 1 . . . . . 137 P CO . 28137 1 354 . 1 . 1 141 141 PRO CA C 13 60.489 0.2 . 1 . . . . . 137 P CA . 28137 1 355 . 1 . 1 141 141 PRO CB C 13 29.477 0.2 . 1 . . . . . 137 P CB . 28137 1 356 . 1 . 1 142 142 GLY H H 1 8.354 0.03 . 1 . . . . . 138 G NH . 28137 1 357 . 1 . 1 142 142 GLY C C 13 171.367 0.2 . 1 . . . . . 138 G CO . 28137 1 358 . 1 . 1 142 142 GLY CA C 13 42.436 0.2 . 1 . . . . . 138 G CA . 28137 1 359 . 1 . 1 142 142 GLY N N 15 108.738 0.2 . 1 . . . . . 138 G N . 28137 1 360 . 1 . 1 143 143 LYS H H 1 8.179 0.03 . 1 . . . . . 139 K NH . 28137 1 361 . 1 . 1 143 143 LYS C C 13 174.117 0.2 . 1 . . . . . 139 K CO . 28137 1 362 . 1 . 1 143 143 LYS CA C 13 53.581 0.2 . 1 . . . . . 139 K CA . 28137 1 363 . 1 . 1 143 143 LYS CB C 13 30.584 0.2 . 1 . . . . . 139 K CB . 28137 1 364 . 1 . 1 143 143 LYS N N 15 121.024 0.2 . 1 . . . . . 139 K N . 28137 1 365 . 1 . 1 144 144 SER H H 1 8.460 0.03 . 1 . . . . . 140 S NH . 28137 1 366 . 1 . 1 144 144 SER C C 13 172.124 0.2 . 1 . . . . . 140 S CO . 28137 1 367 . 1 . 1 144 144 SER CA C 13 55.652 0.2 . 1 . . . . . 140 S CA . 28137 1 368 . 1 . 1 144 144 SER CB C 13 61.270 0.2 . 1 . . . . . 140 S CB . 28137 1 369 . 1 . 1 144 144 SER N N 15 117.622 0.2 . 1 . . . . . 140 S N . 28137 1 370 . 1 . 1 145 145 SER H H 1 8.389 0.03 . 1 . . . . . 141 S NH . 28137 1 371 . 1 . 1 145 145 SER C C 13 171.949 0.2 . 1 . . . . . 141 S CO . 28137 1 372 . 1 . 1 145 145 SER CA C 13 55.877 0.2 . 1 . . . . . 141 S CA . 28137 1 373 . 1 . 1 145 145 SER CB C 13 61.127 0.2 . 1 . . . . . 141 S CB . 28137 1 374 . 1 . 1 145 145 SER N N 15 117.991 0.2 . 1 . . . . . 141 S N . 28137 1 375 . 1 . 1 146 146 GLU H H 1 8.335 0.03 . 1 . . . . . 142 E NH . 28137 1 376 . 1 . 1 146 146 GLU C C 13 173.438 0.2 . 1 . . . . . 142 E CO . 28137 1 377 . 1 . 1 146 146 GLU CA C 13 53.991 0.2 . 1 . . . . . 142 E CA . 28137 1 378 . 1 . 1 146 146 GLU CB C 13 27.622 0.2 . 1 . . . . . 142 E CB . 28137 1 379 . 1 . 1 146 146 GLU N N 15 122.418 0.2 . 1 . . . . . 142 E N . 28137 1 380 . 1 . 1 147 147 ASP H H 1 8.263 0.03 . 1 . . . . . 143 D NH . 28137 1 381 . 1 . 1 147 147 ASP C C 13 173.778 0.2 . 1 . . . . . 143 D CO . 28137 1 382 . 1 . 1 147 147 ASP CA C 13 51.713 0.2 . 1 . . . . . 143 D CA . 28137 1 383 . 1 . 1 147 147 ASP CB C 13 38.441 0.2 . 1 . . . . . 143 D CB . 28137 1 384 . 1 . 1 147 147 ASP N N 15 121.609 0.2 . 1 . . . . . 143 D N . 28137 1 385 . 1 . 1 148 148 LYS H H 1 8.306 0.03 . 1 . . . . . 144 K NH . 28137 1 386 . 1 . 1 148 148 LYS C C 13 174.395 0.2 . 1 . . . . . 144 K CO . 28137 1 387 . 1 . 1 148 148 LYS CA C 13 53.736 0.2 . 1 . . . . . 144 K CA . 28137 1 388 . 1 . 1 148 148 LYS CB C 13 29.966 0.2 . 1 . . . . . 144 K CB . 28137 1 389 . 1 . 1 148 148 LYS N N 15 122.643 0.2 . 1 . . . . . 144 K N . 28137 1 390 . 1 . 1 149 149 SER H H 1 8.362 0.03 . 1 . . . . . 145 S NH . 28137 1 391 . 1 . 1 149 149 SER C C 13 172.448 0.2 . 1 . . . . . 145 S CO . 28137 1 392 . 1 . 1 149 149 SER CA C 13 56.523 0.2 . 1 . . . . . 145 S CA . 28137 1 393 . 1 . 1 149 149 SER CB C 13 61.026 0.2 . 1 . . . . . 145 S CB . 28137 1 394 . 1 . 1 149 149 SER N N 15 116.648 0.2 . 1 . . . . . 145 S N . 28137 1 395 . 1 . 1 150 150 THR H H 1 8.040 0.03 . 1 . . . . . 146 T NH . 28137 1 396 . 1 . 1 150 150 THR C C 13 171.981 0.2 . 1 . . . . . 146 T CO . 28137 1 397 . 1 . 1 150 150 THR CA C 13 59.411 0.2 . 1 . . . . . 146 T CA . 28137 1 398 . 1 . 1 150 150 THR CB C 13 66.891 0.2 . 1 . . . . . 146 T CB . 28137 1 399 . 1 . 1 150 150 THR N N 15 115.155 0.2 . 1 . . . . . 146 T N . 28137 1 400 . 1 . 1 151 151 GLN H H 1 8.208 0.03 . 1 . . . . . 147 Q NH . 28137 1 401 . 1 . 1 151 151 GLN C C 13 173.495 0.2 . 1 . . . . . 147 Q CO . 28137 1 402 . 1 . 1 151 151 GLN CA C 13 53.290 0.2 . 1 . . . . . 147 Q CA . 28137 1 403 . 1 . 1 151 151 GLN CB C 13 26.797 0.2 . 1 . . . . . 147 Q CB . 28137 1 404 . 1 . 1 151 151 GLN N N 15 122.406 0.2 . 1 . . . . . 147 Q N . 28137 1 405 . 1 . 1 152 152 THR H H 1 8.202 0.03 . 1 . . . . . 148 T NH . 28137 1 406 . 1 . 1 152 152 THR C C 13 172.152 0.2 . 1 . . . . . 148 T CO . 28137 1 407 . 1 . 1 152 152 THR CA C 13 59.138 0.2 . 1 . . . . . 148 T CA . 28137 1 408 . 1 . 1 152 152 THR CB C 13 67.108 0.2 . 1 . . . . . 148 T CB . 28137 1 409 . 1 . 1 152 152 THR N N 15 115.316 0.2 . 1 . . . . . 148 T N . 28137 1 410 . 1 . 1 153 153 THR H H 1 8.228 0.03 . 1 . . . . . 149 T NH . 28137 1 411 . 1 . 1 153 153 THR C C 13 172.539 0.2 . 1 . . . . . 149 T CO . 28137 1 412 . 1 . 1 153 153 THR CA C 13 59.386 0.2 . 1 . . . . . 149 T CA . 28137 1 413 . 1 . 1 153 153 THR CB C 13 67.298 0.2 . 1 . . . . . 149 T CB . 28137 1 414 . 1 . 1 153 153 THR N N 15 116.016 0.2 . 1 . . . . . 149 T N . 28137 1 415 . 1 . 1 154 154 GLY H H 1 8.458 0.03 . 1 . . . . . 150 G NH . 28137 1 416 . 1 . 1 154 154 GLY C C 13 171.417 0.2 . 1 . . . . . 150 G CO . 28137 1 417 . 1 . 1 154 154 GLY CA C 13 42.702 0.2 . 1 . . . . . 150 G CA . 28137 1 418 . 1 . 1 154 154 GLY N N 15 111.433 0.2 . 1 . . . . . 150 G N . 28137 1 419 . 1 . 1 155 155 ARG H H 1 8.132 0.03 . 1 . . . . . 151 R NH . 28137 1 420 . 1 . 1 155 155 ARG C C 13 173.710 0.2 . 1 . . . . . 151 R CO . 28137 1 421 . 1 . 1 155 155 ARG CA C 13 53.254 0.2 . 1 . . . . . 151 R CA . 28137 1 422 . 1 . 1 155 155 ARG CB C 13 28.194 0.2 . 1 . . . . . 151 R CB . 28137 1 423 . 1 . 1 155 155 ARG N N 15 120.392 0.2 . 1 . . . . . 151 R N . 28137 1 424 . 1 . 1 156 156 GLU H H 1 8.599 0.03 . 1 . . . . . 152 E NH . 28137 1 425 . 1 . 1 156 156 GLU C C 13 174.311 0.2 . 1 . . . . . 152 E CO . 28137 1 426 . 1 . 1 156 156 GLU CA C 13 54.418 0.2 . 1 . . . . . 152 E CA . 28137 1 427 . 1 . 1 156 156 GLU CB C 13 27.216 0.2 . 1 . . . . . 152 E CB . 28137 1 428 . 1 . 1 156 156 GLU N N 15 122.490 0.2 . 1 . . . . . 152 E N . 28137 1 429 . 1 . 1 157 157 GLY H H 1 8.417 0.03 . 1 . . . . . 153 G NH . 28137 1 430 . 1 . 1 157 157 GLY C C 13 170.731 0.2 . 1 . . . . . 153 G CO . 28137 1 431 . 1 . 1 157 157 GLY CA C 13 42.694 0.2 . 1 . . . . . 153 G CA . 28137 1 432 . 1 . 1 157 157 GLY N N 15 110.801 0.2 . 1 . . . . . 153 G N . 28137 1 433 . 1 . 1 158 158 SER H H 1 7.808 0.03 . 1 . . . . . 154 S NH . 28137 1 434 . 1 . 1 158 158 SER CA C 13 57.258 0.2 . 1 . . . . . 154 S CA . 28137 1 435 . 1 . 1 158 158 SER CB C 13 62.276 0.2 . 1 . . . . . 154 S CB . 28137 1 436 . 1 . 1 158 158 SER N N 15 121.158 0.2 . 1 . . . . . 154 S N . 28137 1 stop_ save_