data_50941 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50941 _Entry.Title ; NMR assignments and secondary structure determination of the N-terminal domain of ribosome maturation factor M from Staphylococcus aureus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-05-14 _Entry.Accession_date 2021-05-14 _Entry.Last_release_date 2021-05-14 _Entry.Original_release_date 2021-05-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _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 1 _Entry.Generated_software_label $software_1 _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 Garaeva Natalia . . . . 50941 2 Aydar Bikmullin . . . . 50941 3 Evgeniy Kuchaev . . . . 50941 4 Evelina Klochkova . . . . 50941 5 Shamil Validov . . . . 50941 6 Vladimir Klochkov . . . . 50941 7 Albert Aganov . . . . 50941 8 Marat Yusupov . . . . 50941 9 Konstantin Usachev . . . . 50941 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Kazan Federal University' . 50941 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50941 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 538 50941 '15N chemical shifts' 156 50941 '1H chemical shifts' 406 50941 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 . . 2021-06-14 . original BMRB . 50941 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50941 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR assignments and secondary structure determination of the N-terminal domain of ribosome maturation factor M from Staphylococcus aureus ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Russian Chemical Bulletin' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Garaeva Natalia . . . . 50941 1 2 Aydar Bikmullin . . . . 50941 1 3 Evgeniy Kuchaev . . . . 50941 1 4 Evelina Klochkova . . . . 50941 1 5 Shamil Validov . . . . 50941 1 6 Vladimir Klochkov . . . . 50941 1 7 Albert Aganov . . . . 50941 1 8 Marat Yusupov . . . . 50941 1 9 Konstantin Usachev . . . . 50941 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50941 _Assembly.ID 1 _Assembly.Name Gb1-RimM_NTD _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 no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Gb1-RimM_NTD 1 $entity_1 . . yes native no no . . . 50941 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50941 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MKHHHHHHPMKQYKLILNGK TLKGETTTEAVDAATAEKVF KQYANDNGVDGEWTYDDATK TFTVTEGSGSGSENLYFQGA GRVEVGQIVNTHGIKGEIKV KSNSDFTDVRFQPGQVLTVV HNNNDLEYTVKSHRVHKGLH MLTFEGINNINDIEHLKGSS IYQERDHEDIVL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 172 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . MET . 50941 1 2 . LYS . 50941 1 3 . HIS . 50941 1 4 . HIS . 50941 1 5 . HIS . 50941 1 6 . HIS . 50941 1 7 . HIS . 50941 1 8 . HIS . 50941 1 9 . PRO . 50941 1 10 . MET . 50941 1 11 . LYS . 50941 1 12 . GLN . 50941 1 13 . TYR . 50941 1 14 . LYS . 50941 1 15 . LEU . 50941 1 16 . ILE . 50941 1 17 . LEU . 50941 1 18 . ASN . 50941 1 19 . GLY . 50941 1 20 . LYS . 50941 1 21 . THR . 50941 1 22 . LEU . 50941 1 23 . LYS . 50941 1 24 . GLY . 50941 1 25 . GLU . 50941 1 26 . THR . 50941 1 27 . THR . 50941 1 28 . THR . 50941 1 29 . GLU . 50941 1 30 . ALA . 50941 1 31 . VAL . 50941 1 32 . ASP . 50941 1 33 . ALA . 50941 1 34 . ALA . 50941 1 35 . THR . 50941 1 36 . ALA . 50941 1 37 . GLU . 50941 1 38 . LYS . 50941 1 39 . VAL . 50941 1 40 . PHE . 50941 1 41 . LYS . 50941 1 42 . GLN . 50941 1 43 . TYR . 50941 1 44 . ALA . 50941 1 45 . ASN . 50941 1 46 . ASP . 50941 1 47 . ASN . 50941 1 48 . GLY . 50941 1 49 . VAL . 50941 1 50 . ASP . 50941 1 51 . GLY . 50941 1 52 . GLU . 50941 1 53 . TRP . 50941 1 54 . THR . 50941 1 55 . TYR . 50941 1 56 . ASP . 50941 1 57 . ASP . 50941 1 58 . ALA . 50941 1 59 . THR . 50941 1 60 . LYS . 50941 1 61 . THR . 50941 1 62 . PHE . 50941 1 63 . THR . 50941 1 64 . VAL . 50941 1 65 . THR . 50941 1 66 . GLU . 50941 1 67 . GLY . 50941 1 68 . SER . 50941 1 69 . GLY . 50941 1 70 . SER . 50941 1 71 . GLY . 50941 1 72 . SER . 50941 1 73 . GLU . 50941 1 74 . ASN . 50941 1 75 . LEU . 50941 1 76 . TYR . 50941 1 77 . PHE . 50941 1 78 . GLN . 50941 1 79 . GLY . 50941 1 80 . ALA . 50941 1 81 . GLY . 50941 1 82 . ARG . 50941 1 83 . VAL . 50941 1 84 . GLU . 50941 1 85 . VAL . 50941 1 86 . GLY . 50941 1 87 . GLN . 50941 1 88 . ILE . 50941 1 89 . VAL . 50941 1 90 . ASN . 50941 1 91 . THR . 50941 1 92 . HIS . 50941 1 93 . GLY . 50941 1 94 . ILE . 50941 1 95 . LYS . 50941 1 96 . GLY . 50941 1 97 . GLU . 50941 1 98 . ILE . 50941 1 99 . LYS . 50941 1 100 . VAL . 50941 1 101 . LYS . 50941 1 102 . SER . 50941 1 103 . ASN . 50941 1 104 . SER . 50941 1 105 . ASP . 50941 1 106 . PHE . 50941 1 107 . THR . 50941 1 108 . ASP . 50941 1 109 . VAL . 50941 1 110 . ARG . 50941 1 111 . PHE . 50941 1 112 . GLN . 50941 1 113 . PRO . 50941 1 114 . GLY . 50941 1 115 . GLN . 50941 1 116 . VAL . 50941 1 117 . LEU . 50941 1 118 . THR . 50941 1 119 . VAL . 50941 1 120 . VAL . 50941 1 121 . HIS . 50941 1 122 . ASN . 50941 1 123 . ASN . 50941 1 124 . ASN . 50941 1 125 . ASP . 50941 1 126 . LEU . 50941 1 127 . GLU . 50941 1 128 . TYR . 50941 1 129 . THR . 50941 1 130 . VAL . 50941 1 131 . LYS . 50941 1 132 . SER . 50941 1 133 . HIS . 50941 1 134 . ARG . 50941 1 135 . VAL . 50941 1 136 . HIS . 50941 1 137 . LYS . 50941 1 138 . GLY . 50941 1 139 . LEU . 50941 1 140 . HIS . 50941 1 141 . MET . 50941 1 142 . LEU . 50941 1 143 . THR . 50941 1 144 . PHE . 50941 1 145 . GLU . 50941 1 146 . GLY . 50941 1 147 . ILE . 50941 1 148 . ASN . 50941 1 149 . ASN . 50941 1 150 . ILE . 50941 1 151 . ASN . 50941 1 152 . ASP . 50941 1 153 . ILE . 50941 1 154 . GLU . 50941 1 155 . HIS . 50941 1 156 . LEU . 50941 1 157 . LYS . 50941 1 158 . GLY . 50941 1 159 . SER . 50941 1 160 . SER . 50941 1 161 . ILE . 50941 1 162 . TYR . 50941 1 163 . GLN . 50941 1 164 . GLU . 50941 1 165 . ARG . 50941 1 166 . ASP . 50941 1 167 . HIS . 50941 1 168 . GLU . 50941 1 169 . ASP . 50941 1 170 . ILE . 50941 1 171 . VAL . 50941 1 172 . LEU . 50941 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 50941 1 . LYS 2 2 50941 1 . HIS 3 3 50941 1 . HIS 4 4 50941 1 . HIS 5 5 50941 1 . HIS 6 6 50941 1 . HIS 7 7 50941 1 . HIS 8 8 50941 1 . PRO 9 9 50941 1 . MET 10 10 50941 1 . LYS 11 11 50941 1 . GLN 12 12 50941 1 . TYR 13 13 50941 1 . LYS 14 14 50941 1 . LEU 15 15 50941 1 . ILE 16 16 50941 1 . LEU 17 17 50941 1 . ASN 18 18 50941 1 . GLY 19 19 50941 1 . LYS 20 20 50941 1 . THR 21 21 50941 1 . LEU 22 22 50941 1 . LYS 23 23 50941 1 . GLY 24 24 50941 1 . GLU 25 25 50941 1 . THR 26 26 50941 1 . THR 27 27 50941 1 . THR 28 28 50941 1 . GLU 29 29 50941 1 . ALA 30 30 50941 1 . VAL 31 31 50941 1 . ASP 32 32 50941 1 . ALA 33 33 50941 1 . ALA 34 34 50941 1 . THR 35 35 50941 1 . ALA 36 36 50941 1 . GLU 37 37 50941 1 . LYS 38 38 50941 1 . VAL 39 39 50941 1 . PHE 40 40 50941 1 . LYS 41 41 50941 1 . GLN 42 42 50941 1 . TYR 43 43 50941 1 . ALA 44 44 50941 1 . ASN 45 45 50941 1 . ASP 46 46 50941 1 . ASN 47 47 50941 1 . GLY 48 48 50941 1 . VAL 49 49 50941 1 . ASP 50 50 50941 1 . GLY 51 51 50941 1 . GLU 52 52 50941 1 . TRP 53 53 50941 1 . THR 54 54 50941 1 . TYR 55 55 50941 1 . ASP 56 56 50941 1 . ASP 57 57 50941 1 . ALA 58 58 50941 1 . THR 59 59 50941 1 . LYS 60 60 50941 1 . THR 61 61 50941 1 . PHE 62 62 50941 1 . THR 63 63 50941 1 . VAL 64 64 50941 1 . THR 65 65 50941 1 . GLU 66 66 50941 1 . GLY 67 67 50941 1 . SER 68 68 50941 1 . GLY 69 69 50941 1 . SER 70 70 50941 1 . GLY 71 71 50941 1 . SER 72 72 50941 1 . GLU 73 73 50941 1 . ASN 74 74 50941 1 . LEU 75 75 50941 1 . TYR 76 76 50941 1 . PHE 77 77 50941 1 . GLN 78 78 50941 1 . GLY 79 79 50941 1 . ALA 80 80 50941 1 . GLY 81 81 50941 1 . ARG 82 82 50941 1 . VAL 83 83 50941 1 . GLU 84 84 50941 1 . VAL 85 85 50941 1 . GLY 86 86 50941 1 . GLN 87 87 50941 1 . ILE 88 88 50941 1 . VAL 89 89 50941 1 . ASN 90 90 50941 1 . THR 91 91 50941 1 . HIS 92 92 50941 1 . GLY 93 93 50941 1 . ILE 94 94 50941 1 . LYS 95 95 50941 1 . GLY 96 96 50941 1 . GLU 97 97 50941 1 . ILE 98 98 50941 1 . LYS 99 99 50941 1 . VAL 100 100 50941 1 . LYS 101 101 50941 1 . SER 102 102 50941 1 . ASN 103 103 50941 1 . SER 104 104 50941 1 . ASP 105 105 50941 1 . PHE 106 106 50941 1 . THR 107 107 50941 1 . ASP 108 108 50941 1 . VAL 109 109 50941 1 . ARG 110 110 50941 1 . PHE 111 111 50941 1 . GLN 112 112 50941 1 . PRO 113 113 50941 1 . GLY 114 114 50941 1 . GLN 115 115 50941 1 . VAL 116 116 50941 1 . LEU 117 117 50941 1 . THR 118 118 50941 1 . VAL 119 119 50941 1 . VAL 120 120 50941 1 . HIS 121 121 50941 1 . ASN 122 122 50941 1 . ASN 123 123 50941 1 . ASN 124 124 50941 1 . ASP 125 125 50941 1 . LEU 126 126 50941 1 . GLU 127 127 50941 1 . TYR 128 128 50941 1 . THR 129 129 50941 1 . VAL 130 130 50941 1 . LYS 131 131 50941 1 . SER 132 132 50941 1 . HIS 133 133 50941 1 . ARG 134 134 50941 1 . VAL 135 135 50941 1 . HIS 136 136 50941 1 . LYS 137 137 50941 1 . GLY 138 138 50941 1 . LEU 139 139 50941 1 . HIS 140 140 50941 1 . MET 141 141 50941 1 . LEU 142 142 50941 1 . THR 143 143 50941 1 . PHE 144 144 50941 1 . GLU 145 145 50941 1 . GLY 146 146 50941 1 . ILE 147 147 50941 1 . ASN 148 148 50941 1 . ASN 149 149 50941 1 . ILE 150 150 50941 1 . ASN 151 151 50941 1 . ASP 152 152 50941 1 . ILE 153 153 50941 1 . GLU 154 154 50941 1 . HIS 155 155 50941 1 . LEU 156 156 50941 1 . LYS 157 157 50941 1 . GLY 158 158 50941 1 . SER 159 159 50941 1 . SER 160 160 50941 1 . ILE 161 161 50941 1 . TYR 162 162 50941 1 . GLN 163 163 50941 1 . GLU 164 164 50941 1 . ARG 165 165 50941 1 . ASP 166 166 50941 1 . HIS 167 167 50941 1 . GLU 168 168 50941 1 . ASP 169 169 50941 1 . ILE 170 170 50941 1 . VAL 171 171 50941 1 . LEU 172 172 50941 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50941 _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 $entity_1 . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . 50941 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50941 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pETGB1_a . . . 50941 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50941 _Sample.ID 1 _Sample.Name GB1-RimM-NTD _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 GB1-RimM_NTD '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.68 . . mM . . . . 50941 1 2 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 50941 1 3 TRIS-HCl 'natural abundance' . . . . . . 50 . . mM . . . . 50941 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 50941 _Sample_condition_list.ID 1 _Sample_condition_list.Name 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' 50 . mM 50941 1 pH 8.2 . pH 50941 1 pressure 1 . atm 50941 1 temperature 298 . K 50941 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50941 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50941 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50941 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 700 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50941 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50941 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50941 1 3 '3D CBCACONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50941 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50941 1 5 '3D CBCANH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50941 1 6 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50941 1 7 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50941 1 8 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50941 1 9 '3D HBHANH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50941 1 10 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50941 1 11 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50941 1 12 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50941 1 13 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50941 1 14 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50941 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50941 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 . . . . . 50941 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50941 1 N 15 na nitrogen . . . . ppm 0.00 na direct 1 . . . . . 50941 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50941 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name RimM-NTD _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 $chem_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' . . . 50941 1 2 '2D 1H-13C HSQC' . . . 50941 1 3 '3D CBCACONH' . . . 50941 1 4 '3D CBCA(CO)NH' . . . 50941 1 5 '3D CBCANH' . . . 50941 1 6 '3D C(CO)NH' . . . 50941 1 7 '3D HNCO' . . . 50941 1 8 '3D HNCA' . . . 50941 1 9 '3D HBHANH' . . . 50941 1 10 '3D HNCACB' . . . 50941 1 11 '3D HN(CA)CO' . . . 50941 1 12 '3D H(CCO)NH' . . . 50941 1 13 '3D HN(CO)CACB' . . . 50941 1 14 '3D HCCH-TOCSY' . . . 50941 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 $software_1 . . 50941 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 9 9 PRO C C 13 176.662 . . 1 . . 1513 . . 9 PRO C . 50941 1 2 . 1 . 1 9 9 PRO CA C 13 63.110 . . 1 . . 1512 . . 9 PRO CA . 50941 1 3 . 1 . 1 9 9 PRO CB C 13 32.169 . . 1 . . 1514 . . 9 PRO CB . 50941 1 4 . 1 . 1 9 9 PRO CG C 13 27.212 . . 1 . . 2429 . . 9 PRO CG . 50941 1 5 . 1 . 1 10 10 MET H H 1 8.300 0.002 . 1 . . 31 . . 10 MET H . 50941 1 6 . 1 . 1 10 10 MET C C 13 175.884 . . 1 . . 1143 . . 10 MET C . 50941 1 7 . 1 . 1 10 10 MET CA C 13 55.110 0.04 . 1 . . 1144 . . 10 MET CA . 50941 1 8 . 1 . 1 10 10 MET CB C 13 34.357 0.003 . 1 . . 1145 . . 10 MET CB . 50941 1 9 . 1 . 1 10 10 MET CG C 13 32.448 . . 1 . . 2428 . . 10 MET CG . 50941 1 10 . 1 . 1 10 10 MET N N 15 119.477 0.017 . 1 . . 32 . . 10 MET N . 50941 1 11 . 1 . 1 11 11 LYS H H 1 8.334 0.002 . 1 . . 1371 . . 11 LYS H . 50941 1 12 . 1 . 1 11 11 LYS C C 13 174.007 . . 1 . . 1493 . . 11 LYS C . 50941 1 13 . 1 . 1 11 11 LYS CA C 13 54.793 0.063 . 1 . . 2425 . . 11 LYS CA . 50941 1 14 . 1 . 1 11 11 LYS CB C 13 34.656 0.046 . 1 . . 2422 . . 11 LYS CB . 50941 1 15 . 1 . 1 11 11 LYS CG C 13 25.084 . . 1 . . 2426 . . 11 LYS CG . 50941 1 16 . 1 . 1 11 11 LYS CD C 13 28.995 . . 1 . . 2427 . . 11 LYS CD . 50941 1 17 . 1 . 1 11 11 LYS N N 15 122.090 0.01 . 1 . . 1372 . . 11 LYS N . 50941 1 18 . 1 . 1 12 12 GLN H H 1 7.969 0.004 . 1 . . 1129 . . 12 GLN H . 50941 1 19 . 1 . 1 12 12 GLN C C 13 175.003 . . 1 . . 1133 . . 12 GLN C . 50941 1 20 . 1 . 1 12 12 GLN CA C 13 55.421 . . 1 . . 2424 . . 12 GLN CA . 50941 1 21 . 1 . 1 12 12 GLN CB C 13 30.652 0.031 . 1 . . 1132 . . 12 GLN CB . 50941 1 22 . 1 . 1 12 12 GLN CG C 13 35.037 . . 1 . . 2421 . . 12 GLN CG . 50941 1 23 . 1 . 1 12 12 GLN N N 15 119.136 0.039 . 1 . . 1130 . . 12 GLN N . 50941 1 24 . 1 . 1 13 13 TYR H H 1 9.048 0.005 . 1 . . 573 . . 13 TYR H . 50941 1 25 . 1 . 1 13 13 TYR C C 13 174.742 . . 1 . . 885 . . 13 TYR C . 50941 1 26 . 1 . 1 13 13 TYR CA C 13 57.146 0.02 . 1 . . 886 . . 13 TYR CA . 50941 1 27 . 1 . 1 13 13 TYR CB C 13 43.276 0.015 . 1 . . 887 . . 13 TYR CB . 50941 1 28 . 1 . 1 13 13 TYR N N 15 124.627 0.041 . 1 . . 574 . . 13 TYR N . 50941 1 29 . 1 . 1 14 14 LYS H H 1 9.011 0.004 . 1 . . 952 . . 14 LYS H . 50941 1 30 . 1 . 1 14 14 LYS C C 13 172.767 . . 1 . . 956 . . 14 LYS C . 50941 1 31 . 1 . 1 14 14 LYS CA C 13 55.111 0.001 . 1 . . 954 . . 14 LYS CA . 50941 1 32 . 1 . 1 14 14 LYS CB C 13 35.962 0.025 . 1 . . 955 . . 14 LYS CB . 50941 1 33 . 1 . 1 14 14 LYS CG C 13 25.236 . . 1 . . 2420 . . 14 LYS CG . 50941 1 34 . 1 . 1 14 14 LYS N N 15 122.230 0.012 . 1 . . 953 . . 14 LYS N . 50941 1 35 . 1 . 1 15 15 LEU H H 1 8.505 0.003 . 1 . . 689 . . 15 LEU H . 50941 1 36 . 1 . 1 15 15 LEU C C 13 174.521 . . 1 . . 842 . . 15 LEU C . 50941 1 37 . 1 . 1 15 15 LEU CA C 13 52.693 0.029 . 1 . . 844 . . 15 LEU CA . 50941 1 38 . 1 . 1 15 15 LEU CB C 13 42.662 0.038 . 1 . . 843 . . 15 LEU CB . 50941 1 39 . 1 . 1 15 15 LEU N N 15 126.503 0.045 . 1 . . 690 . . 15 LEU N . 50941 1 40 . 1 . 1 16 16 ILE H H 1 8.976 0.005 . 1 . . 661 . . 16 ILE H . 50941 1 41 . 1 . 1 16 16 ILE C C 13 174.631 . . 1 . . 1847 . . 16 ILE C . 50941 1 42 . 1 . 1 16 16 ILE CA C 13 60.241 0.036 . 1 . . 849 . . 16 ILE CA . 50941 1 43 . 1 . 1 16 16 ILE CB C 13 38.071 0.053 . 1 . . 848 . . 16 ILE CB . 50941 1 44 . 1 . 1 16 16 ILE CG1 C 13 27.074 . . 1 . . 2418 . . 16 ILE CG1 . 50941 1 45 . 1 . 1 16 16 ILE CG2 C 13 17.061 . . 1 . . 2419 . . 16 ILE CG2 . 50941 1 46 . 1 . 1 16 16 ILE N N 15 126.310 0.002 . 1 . . 662 . . 16 ILE N . 50941 1 47 . 1 . 1 17 17 LEU H H 1 8.603 0.002 . 1 . . 645 . . 17 LEU H . 50941 1 48 . 1 . 1 17 17 LEU C C 13 174.828 . . 1 . . 1519 . . 17 LEU C . 50941 1 49 . 1 . 1 17 17 LEU CA C 13 54.420 0.009 . 1 . . 857 . . 17 LEU CA . 50941 1 50 . 1 . 1 17 17 LEU CB C 13 42.156 0.06 . 1 . . 856 . . 17 LEU CB . 50941 1 51 . 1 . 1 17 17 LEU CG C 13 25.798 . . 1 . . 2417 . . 17 LEU CG . 50941 1 52 . 1 . 1 17 17 LEU N N 15 125.673 0.003 . 1 . . 646 . . 17 LEU N . 50941 1 53 . 1 . 1 18 18 ASN H H 1 8.743 0.004 . 1 . . 51 . . 18 ASN H . 50941 1 54 . 1 . 1 18 18 ASN C C 13 175.329 . . 1 . . 863 . . 18 ASN C . 50941 1 55 . 1 . 1 18 18 ASN CA C 13 51.166 0.002 . 1 . . 865 . . 18 ASN CA . 50941 1 56 . 1 . 1 18 18 ASN CB C 13 38.160 0.031 . 1 . . 864 . . 18 ASN CB . 50941 1 57 . 1 . 1 18 18 ASN N N 15 125.581 0.059 . 1 . . 52 . . 18 ASN N . 50941 1 58 . 1 . 1 19 19 GLY H H 1 7.849 0.004 . 1 . . 517 . . 19 GLY H . 50941 1 59 . 1 . 1 19 19 GLY C C 13 173.331 . . 1 . . 1326 . . 19 GLY C . 50941 1 60 . 1 . 1 19 19 GLY CA C 13 44.651 0.039 . 1 . . 1327 . . 19 GLY CA . 50941 1 61 . 1 . 1 19 19 GLY N N 15 109.946 0.034 . 1 . . 518 . . 19 GLY N . 50941 1 62 . 1 . 1 20 20 LYS H H 1 9.158 0.011 . 1 . . 707 . . 20 LYS H . 50941 1 63 . 1 . 1 20 20 LYS C C 13 178.616 . . 1 . . 1033 . . 20 LYS C . 50941 1 64 . 1 . 1 20 20 LYS CA C 13 59.129 0.029 . 1 . . 1032 . . 20 LYS CA . 50941 1 65 . 1 . 1 20 20 LYS CB C 13 32.519 0.039 . 1 . . 1031 . . 20 LYS CB . 50941 1 66 . 1 . 1 20 20 LYS CG C 13 25.036 . . 1 . . 2416 . . 20 LYS CG . 50941 1 67 . 1 . 1 20 20 LYS N N 15 121.281 0.046 . 1 . . 708 . . 20 LYS N . 50941 1 68 . 1 . 1 21 21 THR H H 1 8.725 0.007 . 1 . . 495 . . 21 THR H . 50941 1 69 . 1 . 1 21 21 THR C C 13 173.760 . . 1 . . 1339 . . 21 THR C . 50941 1 70 . 1 . 1 21 21 THR CA C 13 61.877 0.06 . 1 . . 1340 . . 21 THR CA . 50941 1 71 . 1 . 1 21 21 THR CB C 13 69.704 0.058 . 1 . . 1341 . . 21 THR CB . 50941 1 72 . 1 . 1 21 21 THR CG2 C 13 21.829 . . 1 . . 2415 . . 21 THR CG2 . 50941 1 73 . 1 . 1 21 21 THR N N 15 108.779 0.023 . 1 . . 496 . . 21 THR N . 50941 1 74 . 1 . 1 22 22 LEU H H 1 7.227 0.01 . 1 . . 685 . . 22 LEU H . 50941 1 75 . 1 . 1 22 22 LEU C C 13 173.329 . . 1 . . 877 . . 22 LEU C . 50941 1 76 . 1 . 1 22 22 LEU CA C 13 55.249 0.047 . 1 . . 879 . . 22 LEU CA . 50941 1 77 . 1 . 1 22 22 LEU CB C 13 43.503 0.036 . 1 . . 878 . . 22 LEU CB . 50941 1 78 . 1 . 1 22 22 LEU N N 15 124.969 0.062 . 1 . . 686 . . 22 LEU N . 50941 1 79 . 1 . 1 23 23 LYS H H 1 8.042 0.003 . 1 . . 2140 . . 23 LYS H . 50941 1 80 . 1 . 1 23 23 LYS C C 13 176.248 . . 1 . . 2144 . . 23 LYS C . 50941 1 81 . 1 . 1 23 23 LYS CA C 13 53.914 0.001 . 1 . . 2413 . . 23 LYS CA . 50941 1 82 . 1 . 1 23 23 LYS CB C 13 34.603 0.069 . 1 . . 2142 . . 23 LYS CB . 50941 1 83 . 1 . 1 23 23 LYS CD C 13 29.077 . . 1 . . 2414 . . 23 LYS CD . 50941 1 84 . 1 . 1 23 23 LYS N N 15 124.060 0.055 . 1 . . 2141 . . 23 LYS N . 50941 1 85 . 1 . 1 24 24 GLY H H 1 8.318 0.003 . 1 . . 555 . . 24 GLY H . 50941 1 86 . 1 . 1 24 24 GLY C C 13 171.273 . . 1 . . 1329 . . 24 GLY C . 50941 1 87 . 1 . 1 24 24 GLY CA C 13 45.054 0.04 . 1 . . 1328 . . 24 GLY CA . 50941 1 88 . 1 . 1 24 24 GLY N N 15 109.641 0.104 . 1 . . 556 . . 24 GLY N . 50941 1 89 . 1 . 1 25 25 GLU H H 1 8.297 0.003 . 1 . . 107 . . 25 GLU H . 50941 1 90 . 1 . 1 25 25 GLU HA H 1 5.487 0.004 . 1 . . 2438 . . 25 GLU HA . 50941 1 91 . 1 . 1 25 25 GLU HB2 H 1 1.848 0.003 . 1 . . 2439 . . 25 GLU HB2 . 50941 1 92 . 1 . 1 25 25 GLU C C 13 175.207 . . 1 . . 1160 . . 25 GLU C . 50941 1 93 . 1 . 1 25 25 GLU CA C 13 54.675 0.033 . 1 . . 1161 . . 25 GLU CA . 50941 1 94 . 1 . 1 25 25 GLU CB C 13 33.764 0.031 . 1 . . 1162 . . 25 GLU CB . 50941 1 95 . 1 . 1 25 25 GLU CG C 13 35.791 . . 1 . . 2412 . . 25 GLU CG . 50941 1 96 . 1 . 1 25 25 GLU N N 15 118.782 0.008 . 1 . . 108 . . 25 GLU N . 50941 1 97 . 1 . 1 26 26 THR H H 1 8.648 0.003 . 1 . . 279 . . 26 THR H . 50941 1 98 . 1 . 1 26 26 THR HA H 1 4.607 0.002 . 1 . . 2437 . . 26 THR HA . 50941 1 99 . 1 . 1 26 26 THR HB H 1 3.766 0.007 . 1 . . 2436 . . 26 THR HB . 50941 1 100 . 1 . 1 26 26 THR C C 13 171.913 . . 1 . . 1229 . . 26 THR C . 50941 1 101 . 1 . 1 26 26 THR CA C 13 60.688 0.016 . 1 . . 1231 . . 26 THR CA . 50941 1 102 . 1 . 1 26 26 THR CB C 13 69.456 0.039 . 1 . . 1230 . . 26 THR CB . 50941 1 103 . 1 . 1 26 26 THR CG2 C 13 19.040 . . 1 . . 2411 . . 26 THR CG2 . 50941 1 104 . 1 . 1 26 26 THR N N 15 115.912 0.023 . 1 . . 280 . . 26 THR N . 50941 1 105 . 1 . 1 27 27 THR H H 1 7.967 0.003 . 1 . . 187 . . 27 THR H . 50941 1 106 . 1 . 1 27 27 THR HA H 1 5.685 0.002 . 1 . . 2435 . . 27 THR HA . 50941 1 107 . 1 . 1 27 27 THR HB H 1 4.219 0.005 . 1 . . 2432 . . 27 THR HB . 50941 1 108 . 1 . 1 27 27 THR C C 13 174.022 . . 1 . . 1310 . . 27 THR C . 50941 1 109 . 1 . 1 27 27 THR CA C 13 59.886 0.015 . 1 . . 1311 . . 27 THR CA . 50941 1 110 . 1 . 1 27 27 THR CB C 13 73.254 0.023 . 1 . . 1312 . . 27 THR CB . 50941 1 111 . 1 . 1 27 27 THR CG2 C 13 21.362 . . 1 . . 2410 . . 27 THR CG2 . 50941 1 112 . 1 . 1 27 27 THR N N 15 111.992 0.03 . 1 . . 188 . . 27 THR N . 50941 1 113 . 1 . 1 28 28 THR H H 1 8.886 0.004 . 1 . . 743 . . 28 THR H . 50941 1 114 . 1 . 1 28 28 THR HA H 1 4.576 0.005 . 1 . . 2440 . . 28 THR HA . 50941 1 115 . 1 . 1 28 28 THR HB H 1 3.753 0.006 . 1 . . 2441 . . 28 THR HB . 50941 1 116 . 1 . 1 28 28 THR C C 13 171.235 . . 1 . . 1249 . . 28 THR C . 50941 1 117 . 1 . 1 28 28 THR CA C 13 62.318 0.075 . 1 . . 1247 . . 28 THR CA . 50941 1 118 . 1 . 1 28 28 THR CB C 13 69.785 0.026 . 1 . . 1248 . . 28 THR CB . 50941 1 119 . 1 . 1 28 28 THR CG2 C 13 18.802 . . 1 . . 2409 . . 28 THR CG2 . 50941 1 120 . 1 . 1 28 28 THR N N 15 114.991 0.057 . 1 . . 744 . . 28 THR N . 50941 1 121 . 1 . 1 29 29 GLU H H 1 7.854 0.004 . 1 . . 215 . . 29 GLU H . 50941 1 122 . 1 . 1 29 29 GLU HA H 1 5.479 0.002 . 1 . . 2443 . . 29 GLU HA . 50941 1 123 . 1 . 1 29 29 GLU HB2 H 1 1.793 0.004 . 1 . . 2442 . . 29 GLU HB2 . 50941 1 124 . 1 . 1 29 29 GLU C C 13 175.933 . . 1 . . 1614 . . 29 GLU C . 50941 1 125 . 1 . 1 29 29 GLU CA C 13 54.670 0.013 . 1 . . 930 . . 29 GLU CA . 50941 1 126 . 1 . 1 29 29 GLU CB C 13 31.535 0.038 . 1 . . 931 . . 29 GLU CB . 50941 1 127 . 1 . 1 29 29 GLU CG C 13 36.660 . . 1 . . 2408 . . 29 GLU CG . 50941 1 128 . 1 . 1 29 29 GLU N N 15 123.563 0.03 . 1 . . 216 . . 29 GLU N . 50941 1 129 . 1 . 1 30 30 ALA H H 1 9.318 0.003 . 1 . . 679 . . 30 ALA H . 50941 1 130 . 1 . 1 30 30 ALA HA H 1 4.778 0.002 . 1 . . 2445 . . 30 ALA HA . 50941 1 131 . 1 . 1 30 30 ALA HB1 H 1 1.246 0.011 . 1 . . 2444 . . 30 ALA HB1 . 50941 1 132 . 1 . 1 30 30 ALA HB2 H 1 1.246 0.011 . 1 . . 2444 . . 30 ALA HB2 . 50941 1 133 . 1 . 1 30 30 ALA HB3 H 1 1.246 0.011 . 1 . . 2444 . . 30 ALA HB3 . 50941 1 134 . 1 . 1 30 30 ALA C C 13 177.421 . . 1 . . 891 . . 30 ALA C . 50941 1 135 . 1 . 1 30 30 ALA CA C 13 51.348 0.034 . 1 . . 889 . . 30 ALA CA . 50941 1 136 . 1 . 1 30 30 ALA CB C 13 23.422 0.03 . 1 . . 888 . . 30 ALA CB . 50941 1 137 . 1 . 1 30 30 ALA N N 15 124.530 0.038 . 1 . . 680 . . 30 ALA N . 50941 1 138 . 1 . 1 31 31 VAL H H 1 8.635 0.01 . 1 . . 715 . . 31 VAL H . 50941 1 139 . 1 . 1 31 31 VAL HA H 1 4.182 0.003 . 1 . . 2447 . . 31 VAL HA . 50941 1 140 . 1 . 1 31 31 VAL HB H 1 2.049 0.003 . 1 . . 2446 . . 31 VAL HB . 50941 1 141 . 1 . 1 31 31 VAL C C 13 175.045 . . 1 . . 1250 . . 31 VAL C . 50941 1 142 . 1 . 1 31 31 VAL CA C 13 63.284 0.04 . 1 . . 1252 . . 31 VAL CA . 50941 1 143 . 1 . 1 31 31 VAL CB C 13 32.221 0.046 . 1 . . 1251 . . 31 VAL CB . 50941 1 144 . 1 . 1 31 31 VAL CG1 C 13 21.417 . . 2 . . 2406 . . 31 VAL CG1 . 50941 1 145 . 1 . 1 31 31 VAL CG2 C 13 19.674 . . 2 . . 2407 . . 31 VAL CG2 . 50941 1 146 . 1 . 1 31 31 VAL N N 15 114.982 0.028 . 1 . . 716 . . 31 VAL N . 50941 1 147 . 1 . 1 32 32 ASP H H 1 7.265 0.006 . 1 . . 385 . . 32 ASP H . 50941 1 148 . 1 . 1 32 32 ASP HA H 1 4.610 0.012 . 1 . . 2448 . . 32 ASP HA . 50941 1 149 . 1 . 1 32 32 ASP HB2 H 1 2.912 0.007 . 1 . . 2449 . . 32 ASP HB2 . 50941 1 150 . 1 . 1 32 32 ASP C C 13 174.537 . . 1 . . 1244 . . 32 ASP C . 50941 1 151 . 1 . 1 32 32 ASP CA C 13 52.690 0.002 . 1 . . 1245 . . 32 ASP CA . 50941 1 152 . 1 . 1 32 32 ASP CB C 13 42.009 0.037 . 1 . . 1246 . . 32 ASP CB . 50941 1 153 . 1 . 1 32 32 ASP N N 15 115.071 0.012 . 1 . . 386 . . 32 ASP N . 50941 1 154 . 1 . 1 33 33 ALA H H 1 8.174 0.005 . 1 . . 1384 . . 33 ALA H . 50941 1 155 . 1 . 1 33 33 ALA HA H 1 3.257 0.002 . 1 . . 2450 . . 33 ALA HA . 50941 1 156 . 1 . 1 33 33 ALA HB1 H 1 1.080 0.002 . 1 . . 2451 . . 33 ALA HB1 . 50941 1 157 . 1 . 1 33 33 ALA HB2 H 1 1.080 0.002 . 1 . . 2451 . . 33 ALA HB2 . 50941 1 158 . 1 . 1 33 33 ALA HB3 H 1 1.080 0.002 . 1 . . 2451 . . 33 ALA HB3 . 50941 1 159 . 1 . 1 33 33 ALA C C 13 179.105 . . 1 . . 1387 . . 33 ALA C . 50941 1 160 . 1 . 1 33 33 ALA CA C 13 54.478 0.04 . 1 . . 1386 . . 33 ALA CA . 50941 1 161 . 1 . 1 33 33 ALA CB C 13 17.451 0.057 . 1 . . 2146 . . 33 ALA CB . 50941 1 162 . 1 . 1 33 33 ALA N N 15 121.319 0.016 . 1 . . 1385 . . 33 ALA N . 50941 1 163 . 1 . 1 34 34 ALA H H 1 7.942 0.006 . 1 . . 1072 . . 34 ALA H . 50941 1 164 . 1 . 1 34 34 ALA HA H 1 3.829 0.006 . 1 . . 2453 . . 34 ALA HA . 50941 1 165 . 1 . 1 34 34 ALA HB1 H 1 1.173 0.002 . 1 . . 2452 . . 34 ALA HB1 . 50941 1 166 . 1 . 1 34 34 ALA HB2 H 1 1.173 0.002 . 1 . . 2452 . . 34 ALA HB2 . 50941 1 167 . 1 . 1 34 34 ALA HB3 H 1 1.173 0.002 . 1 . . 2452 . . 34 ALA HB3 . 50941 1 168 . 1 . 1 34 34 ALA C C 13 180.769 . . 1 . . 1076 . . 34 ALA C . 50941 1 169 . 1 . 1 34 34 ALA CA C 13 54.765 0.008 . 1 . . 2405 . . 34 ALA CA . 50941 1 170 . 1 . 1 34 34 ALA CB C 13 17.907 0.088 . 1 . . 2147 . . 34 ALA CB . 50941 1 171 . 1 . 1 34 34 ALA N N 15 120.322 0.008 . 1 . . 1073 . . 34 ALA N . 50941 1 172 . 1 . 1 35 35 THR H H 1 8.169 0.002 . 1 . . 321 . . 35 THR H . 50941 1 173 . 1 . 1 35 35 THR HA H 1 3.573 0.006 . 1 . . 2454 . . 35 THR HA . 50941 1 174 . 1 . 1 35 35 THR HB H 1 3.910 0.006 . 1 . . 2455 . . 35 THR HB . 50941 1 175 . 1 . 1 35 35 THR C C 13 176.095 0.026 . 1 . . 2010 . . 35 THR C . 50941 1 176 . 1 . 1 35 35 THR CA C 13 66.832 0.022 . 1 . . 1222 . . 35 THR CA . 50941 1 177 . 1 . 1 35 35 THR CB C 13 67.832 0.066 . 1 . . 1221 . . 35 THR CB . 50941 1 178 . 1 . 1 35 35 THR CG2 C 13 21.001 . . 1 . . 2404 . . 35 THR CG2 . 50941 1 179 . 1 . 1 35 35 THR N N 15 116.366 0.014 . 1 . . 322 . . 35 THR N . 50941 1 180 . 1 . 1 36 36 ALA H H 1 6.936 0.003 . 1 . . 777 . . 36 ALA H . 50941 1 181 . 1 . 1 36 36 ALA HA H 1 2.992 0.004 . 1 . . 2456 . . 36 ALA HA . 50941 1 182 . 1 . 1 36 36 ALA HB1 H 1 0.390 0.002 . 1 . . 2457 . . 36 ALA HB1 . 50941 1 183 . 1 . 1 36 36 ALA HB2 H 1 0.390 0.002 . 1 . . 2457 . . 36 ALA HB2 . 50941 1 184 . 1 . 1 36 36 ALA HB3 H 1 0.390 0.002 . 1 . . 2457 . . 36 ALA HB3 . 50941 1 185 . 1 . 1 36 36 ALA C C 13 177.095 . . 1 . . 916 . . 36 ALA C . 50941 1 186 . 1 . 1 36 36 ALA CA C 13 54.829 0.013 . 1 . . 914 . . 36 ALA CA . 50941 1 187 . 1 . 1 36 36 ALA CB C 13 17.286 0.102 . 1 . . 915 . . 36 ALA CB . 50941 1 188 . 1 . 1 36 36 ALA N N 15 123.694 0.013 . 1 . . 778 . . 36 ALA N . 50941 1 189 . 1 . 1 37 37 GLU H H 1 8.281 0.006 . 1 . . 369 . . 37 GLU H . 50941 1 190 . 1 . 1 37 37 GLU HA H 1 2.520 0.003 . 1 . . 2458 . . 37 GLU HA . 50941 1 191 . 1 . 1 37 37 GLU HB2 H 1 1.778 0.002 . 1 . . 2459 . . 37 GLU HB2 . 50941 1 192 . 1 . 1 37 37 GLU C C 13 177.429 . . 1 . . 1213 . . 37 GLU C . 50941 1 193 . 1 . 1 37 37 GLU CA C 13 59.651 0.022 . 1 . . 1211 . . 37 GLU CA . 50941 1 194 . 1 . 1 37 37 GLU CB C 13 29.070 0.04 . 1 . . 1212 . . 37 GLU CB . 50941 1 195 . 1 . 1 37 37 GLU CG C 13 35.581 . . 1 . . 2403 . . 37 GLU CG . 50941 1 196 . 1 . 1 37 37 GLU N N 15 116.731 0.036 . 1 . . 370 . . 37 GLU N . 50941 1 197 . 1 . 1 38 38 LYS H H 1 6.848 0.005 . 1 . . 333 . . 38 LYS H . 50941 1 198 . 1 . 1 38 38 LYS HA H 1 3.614 0.003 . 1 . . 2460 . . 38 LYS HA . 50941 1 199 . 1 . 1 38 38 LYS HB2 H 1 1.712 0.003 . 1 . . 2461 . . 38 LYS HB2 . 50941 1 200 . 1 . 1 38 38 LYS C C 13 179.917 . . 1 . . 1679 . . 38 LYS C . 50941 1 201 . 1 . 1 38 38 LYS CA C 13 59.777 0.048 . 1 . . 2402 . . 38 LYS CA . 50941 1 202 . 1 . 1 38 38 LYS CB C 13 32.163 0.035 . 1 . . 1217 . . 38 LYS CB . 50941 1 203 . 1 . 1 38 38 LYS N N 15 116.648 0.033 . 1 . . 334 . . 38 LYS N . 50941 1 204 . 1 . 1 39 39 VAL H H 1 7.171 0.004 . 1 . . 205 . . 39 VAL H . 50941 1 205 . 1 . 1 39 39 VAL HA H 1 3.500 0.0 . 1 . . 2462 . . 39 VAL HA . 50941 1 206 . 1 . 1 39 39 VAL HB H 1 1.634 0.002 . 1 . . 2463 . . 39 VAL HB . 50941 1 207 . 1 . 1 39 39 VAL C C 13 179.622 . . 1 . . 1087 . . 39 VAL C . 50941 1 208 . 1 . 1 39 39 VAL CA C 13 65.965 0.054 . 1 . . 1089 . . 39 VAL CA . 50941 1 209 . 1 . 1 39 39 VAL CB C 13 31.521 0.01 . 1 . . 1088 . . 39 VAL CB . 50941 1 210 . 1 . 1 39 39 VAL CG1 C 13 21.640 . . 2 . . 2400 . . 39 VAL CG1 . 50941 1 211 . 1 . 1 39 39 VAL CG2 C 13 20.305 . . 2 . . 2401 . . 39 VAL CG2 . 50941 1 212 . 1 . 1 39 39 VAL N N 15 120.696 0.056 . 1 . . 206 . . 39 VAL N . 50941 1 213 . 1 . 1 40 40 PHE H H 1 8.366 0.003 . 1 . . 637 . . 40 PHE H . 50941 1 214 . 1 . 1 40 40 PHE HA H 1 4.639 0.001 . 1 . . 2465 . . 40 PHE HA . 50941 1 215 . 1 . 1 40 40 PHE HB2 H 1 2.737 0.003 . 1 . . 2464 . . 40 PHE HB2 . 50941 1 216 . 1 . 1 40 40 PHE C C 13 178.258 . . 1 . . 1056 . . 40 PHE C . 50941 1 217 . 1 . 1 40 40 PHE CA C 13 56.446 0.023 . 1 . . 1054 . . 40 PHE CA . 50941 1 218 . 1 . 1 40 40 PHE CB C 13 37.323 0.026 . 1 . . 1055 . . 40 PHE CB . 50941 1 219 . 1 . 1 40 40 PHE N N 15 120.657 0.063 . 1 . . 638 . . 40 PHE N . 50941 1 220 . 1 . 1 41 41 LYS H H 1 9.034 0.003 . 1 . . 1397 . . 41 LYS H . 50941 1 221 . 1 . 1 41 41 LYS HA H 1 4.052 0.004 . 1 . . 2467 . . 41 LYS HA . 50941 1 222 . 1 . 1 41 41 LYS HB2 H 1 1.501 0.002 . 1 . . 2466 . . 41 LYS HB2 . 50941 1 223 . 1 . 1 41 41 LYS C C 13 179.468 . . 1 . . 2260 . . 41 LYS C . 50941 1 224 . 1 . 1 41 41 LYS CA C 13 59.911 0.05 . 1 . . 1399 . . 41 LYS CA . 50941 1 225 . 1 . 1 41 41 LYS CB C 13 31.583 0.013 . 1 . . 1400 . . 41 LYS CB . 50941 1 226 . 1 . 1 41 41 LYS CG C 13 25.602 . . 1 . . 2398 . . 41 LYS CG . 50941 1 227 . 1 . 1 41 41 LYS CD C 13 28.694 . . 1 . . 2399 . . 41 LYS CD . 50941 1 228 . 1 . 1 41 41 LYS N N 15 123.033 0.035 . 1 . . 1398 . . 41 LYS N . 50941 1 229 . 1 . 1 42 42 GLN H H 1 7.342 0.003 . 1 . . 37 . . 42 GLN H . 50941 1 230 . 1 . 1 42 42 GLN HA H 1 3.939 0.003 . 1 . . 2468 . . 42 GLN HA . 50941 1 231 . 1 . 1 42 42 GLN HB2 H 1 2.108 0.003 . 1 . . 2469 . . 42 GLN HB2 . 50941 1 232 . 1 . 1 42 42 GLN C C 13 176.977 . . 1 . . 1142 . . 42 GLN C . 50941 1 233 . 1 . 1 42 42 GLN CA C 13 58.708 0.042 . 1 . . 1141 . . 42 GLN CA . 50941 1 234 . 1 . 1 42 42 GLN CB C 13 28.049 0.017 . 1 . . 1140 . . 42 GLN CB . 50941 1 235 . 1 . 1 42 42 GLN CG C 13 33.446 . . 1 . . 2397 . . 42 GLN CG . 50941 1 236 . 1 . 1 42 42 GLN N N 15 119.667 0.035 . 1 . . 38 . . 42 GLN N . 50941 1 237 . 1 . 1 43 43 TYR H H 1 8.151 0.002 . 1 . . 1036 . . 43 TYR H . 50941 1 238 . 1 . 1 43 43 TYR HA H 1 4.156 0.01 . 1 . . 2470 . . 43 TYR HA . 50941 1 239 . 1 . 1 43 43 TYR HB2 H 1 3.184 0.002 . 1 . . 2471 . . 43 TYR HB2 . 50941 1 240 . 1 . 1 43 43 TYR C C 13 178.964 . . 1 . . 1040 . . 43 TYR C . 50941 1 241 . 1 . 1 43 43 TYR CA C 13 61.847 0.032 . 1 . . 1039 . . 43 TYR CA . 50941 1 242 . 1 . 1 43 43 TYR CB C 13 38.532 0.034 . 1 . . 1038 . . 43 TYR CB . 50941 1 243 . 1 . 1 43 43 TYR N N 15 120.919 0.07 . 1 . . 1037 . . 43 TYR N . 50941 1 244 . 1 . 1 44 44 ALA H H 1 9.095 0.003 . 1 . . 775 . . 44 ALA H . 50941 1 245 . 1 . 1 44 44 ALA HA H 1 3.702 0.003 . 1 . . 2472 . . 44 ALA HA . 50941 1 246 . 1 . 1 44 44 ALA HB1 H 1 1.741 0.004 . 1 . . 2473 . . 44 ALA HB1 . 50941 1 247 . 1 . 1 44 44 ALA HB2 H 1 1.741 0.004 . 1 . . 2473 . . 44 ALA HB2 . 50941 1 248 . 1 . 1 44 44 ALA HB3 H 1 1.741 0.004 . 1 . . 2473 . . 44 ALA HB3 . 50941 1 249 . 1 . 1 44 44 ALA C C 13 179.301 . . 1 . . 970 . . 44 ALA C . 50941 1 250 . 1 . 1 44 44 ALA CA C 13 56.295 0.026 . 1 . . 968 . . 44 ALA CA . 50941 1 251 . 1 . 1 44 44 ALA CB C 13 17.768 0.023 . 1 . . 969 . . 44 ALA CB . 50941 1 252 . 1 . 1 44 44 ALA N N 15 122.689 0.015 . 1 . . 776 . . 44 ALA N . 50941 1 253 . 1 . 1 45 45 ASN H H 1 8.161 0.004 . 1 . . 619 . . 45 ASN H . 50941 1 254 . 1 . 1 45 45 ASN HA H 1 4.330 0.008 . 1 . . 2475 . . 45 ASN HA . 50941 1 255 . 1 . 1 45 45 ASN HB2 H 1 2.833 0.004 . 1 . . 2474 . . 45 ASN HB2 . 50941 1 256 . 1 . 1 45 45 ASN C C 13 179.255 . . 1 . . 2301 . . 45 ASN C . 50941 1 257 . 1 . 1 45 45 ASN CA C 13 56.953 0.025 . 1 . . 1190 . . 45 ASN CA . 50941 1 258 . 1 . 1 45 45 ASN CB C 13 38.767 0.048 . 1 . . 1191 . . 45 ASN CB . 50941 1 259 . 1 . 1 45 45 ASN N N 15 117.624 0.026 . 1 . . 620 . . 45 ASN N . 50941 1 260 . 1 . 1 46 46 ASP H H 1 8.833 0.006 . 1 . . 663 . . 46 ASP H . 50941 1 261 . 1 . 1 46 46 ASP HA H 1 4.230 0.003 . 1 . . 2477 . . 46 ASP HA . 50941 1 262 . 1 . 1 46 46 ASP HB2 H 1 2.597 0.003 . 1 . . 2476 . . 46 ASP HB2 . 50941 1 263 . 1 . 1 46 46 ASP C C 13 177.041 . . 1 . . 1005 . . 46 ASP C . 50941 1 264 . 1 . 1 46 46 ASP CA C 13 57.089 0.056 . 1 . . 2396 . . 46 ASP CA . 50941 1 265 . 1 . 1 46 46 ASP CB C 13 39.989 0.054 . 1 . . 1007 . . 46 ASP CB . 50941 1 266 . 1 . 1 46 46 ASP N N 15 121.489 0.039 . 1 . . 664 . . 46 ASP N . 50941 1 267 . 1 . 1 47 47 ASN H H 1 7.292 0.006 . 1 . . 1264 . . 47 ASN H . 50941 1 268 . 1 . 1 47 47 ASN HA H 1 4.485 0.007 . 1 . . 2478 . . 47 ASN HA . 50941 1 269 . 1 . 1 47 47 ASN HB2 H 1 1.984 0.005 . 1 . . 2479 . . 47 ASN HB2 . 50941 1 270 . 1 . 1 47 47 ASN C C 13 173.939 . . 1 . . 1267 . . 47 ASN C . 50941 1 271 . 1 . 1 47 47 ASN CA C 13 53.746 0.058 . 1 . . 1266 . . 47 ASN CA . 50941 1 272 . 1 . 1 47 47 ASN CB C 13 39.947 0.067 . 1 . . 2302 . . 47 ASN CB . 50941 1 273 . 1 . 1 47 47 ASN N N 15 115.350 0.031 . 1 . . 1265 . . 47 ASN N . 50941 1 274 . 1 . 1 48 48 GLY H H 1 7.697 0.005 . 1 . . 583 . . 48 GLY H . 50941 1 275 . 1 . 1 48 48 GLY HA2 H 1 3.811 0.002 . 1 . . 2431 . . 48 GLY HA2 . 50941 1 276 . 1 . 1 48 48 GLY C C 13 174.190 . . 1 . . 1346 . . 48 GLY C . 50941 1 277 . 1 . 1 48 48 GLY CA C 13 46.862 0.039 . 1 . . 1345 . . 48 GLY CA . 50941 1 278 . 1 . 1 48 48 GLY N N 15 108.224 0.053 . 1 . . 584 . . 48 GLY N . 50941 1 279 . 1 . 1 49 49 VAL H H 1 8.021 0.004 . 1 . . 1105 . . 49 VAL H . 50941 1 280 . 1 . 1 49 49 VAL HA H 1 4.019 0.006 . 1 . . 2480 . . 49 VAL HA . 50941 1 281 . 1 . 1 49 49 VAL HB H 1 1.629 0.001 . 1 . . 2481 . . 49 VAL HB . 50941 1 282 . 1 . 1 49 49 VAL C C 13 173.627 . . 1 . . 1109 . . 49 VAL C . 50941 1 283 . 1 . 1 49 49 VAL CA C 13 61.978 0.025 . 1 . . 1107 . . 49 VAL CA . 50941 1 284 . 1 . 1 49 49 VAL CB C 13 33.042 0.013 . 1 . . 1108 . . 49 VAL CB . 50941 1 285 . 1 . 1 49 49 VAL CG1 C 13 21.426 . . 2 . . 2394 . . 49 VAL CG1 . 50941 1 286 . 1 . 1 49 49 VAL CG2 C 13 21.075 . . 2 . . 2395 . . 49 VAL CG2 . 50941 1 287 . 1 . 1 49 49 VAL N N 15 120.878 0.093 . 1 . . 1106 . . 49 VAL N . 50941 1 288 . 1 . 1 50 50 ASP H H 1 8.383 0.006 . 1 . . 403 . . 50 ASP H . 50941 1 289 . 1 . 1 50 50 ASP HA H 1 4.806 0.012 . 1 . . 2482 . . 50 ASP HA . 50941 1 290 . 1 . 1 50 50 ASP HB2 H 1 2.549 0.004 . 1 . . 2483 . . 50 ASP HB2 . 50941 1 291 . 1 . 1 50 50 ASP C C 13 174.539 . . 1 . . 831 . . 50 ASP C . 50941 1 292 . 1 . 1 50 50 ASP CA C 13 52.378 0.027 . 1 . . 832 . . 50 ASP CA . 50941 1 293 . 1 . 1 50 50 ASP CB C 13 43.113 0.036 . 1 . . 833 . . 50 ASP CB . 50941 1 294 . 1 . 1 50 50 ASP N N 15 127.491 0.053 . 1 . . 404 . . 50 ASP N . 50941 1 295 . 1 . 1 51 51 GLY H H 1 7.843 0.005 . 1 . . 581 . . 51 GLY H . 50941 1 296 . 1 . 1 51 51 GLY HA2 H 1 3.653 0.004 . 2 . . 2484 . . 51 GLY HA2 . 50941 1 297 . 1 . 1 51 51 GLY HA3 H 1 4.127 0.001 . 2 . . 2485 . . 51 GLY HA3 . 50941 1 298 . 1 . 1 51 51 GLY C C 13 171.701 . . 1 . . 1347 . . 51 GLY C . 50941 1 299 . 1 . 1 51 51 GLY CA C 13 45.440 0.029 . 1 . . 1348 . . 51 GLY CA . 50941 1 300 . 1 . 1 51 51 GLY N N 15 107.540 0.002 . 1 . . 582 . . 51 GLY N . 50941 1 301 . 1 . 1 52 52 GLU H H 1 7.913 0.015 . 1 . . 1067 . . 52 GLU H . 50941 1 302 . 1 . 1 52 52 GLU HA H 1 4.583 0.002 . 1 . . 2487 . . 52 GLU HA . 50941 1 303 . 1 . 1 52 52 GLU HB2 H 1 1.888 0.001 . 1 . . 2486 . . 52 GLU HB2 . 50941 1 304 . 1 . 1 52 52 GLU C C 13 176.812 . . 1 . . 1071 . . 52 GLU C . 50941 1 305 . 1 . 1 52 52 GLU CA C 13 55.489 0.011 . 1 . . 1069 . . 52 GLU CA . 50941 1 306 . 1 . 1 52 52 GLU CB C 13 31.458 0.028 . 1 . . 1070 . . 52 GLU CB . 50941 1 307 . 1 . 1 52 52 GLU CG C 13 36.192 . . 1 . . 2391 . . 52 GLU CG . 50941 1 308 . 1 . 1 52 52 GLU N N 15 120.984 0.127 . 1 . . 1068 . . 52 GLU N . 50941 1 309 . 1 . 1 53 53 TRP H H 1 9.218 0.003 . 1 . . 813 . . 53 TRP H . 50941 1 310 . 1 . 1 53 53 TRP HA H 1 5.270 . . 1 . . 2508 . . 53 TRP HA . 50941 1 311 . 1 . 1 53 53 TRP HB2 H 1 3.255 0.009 . 2 . . 2506 . . 53 TRP HB2 . 50941 1 312 . 1 . 1 53 53 TRP HB3 H 1 3.027 0.001 . 2 . . 2507 . . 53 TRP HB3 . 50941 1 313 . 1 . 1 53 53 TRP HE1 H 1 10.415 . . 1 . . 687 . . 53 TRP HE1 . 50941 1 314 . 1 . 1 53 53 TRP C C 13 176.840 . . 1 . . 2392 . . 53 TRP C . 50941 1 315 . 1 . 1 53 53 TRP CA C 13 57.838 0.045 . 1 . . 815 . . 53 TRP CA . 50941 1 316 . 1 . 1 53 53 TRP CB C 13 30.475 0.027 . 1 . . 816 . . 53 TRP CB . 50941 1 317 . 1 . 1 53 53 TRP N N 15 128.103 0.056 . 1 . . 814 . . 53 TRP N . 50941 1 318 . 1 . 1 53 53 TRP NE1 N 15 130.749 . . 1 . . 688 . . 53 TRP NE1 . 50941 1 319 . 1 . 1 54 54 THR H H 1 9.154 0.008 . 1 . . 783 . . 54 THR H . 50941 1 320 . 1 . 1 54 54 THR HA H 1 4.731 0.002 . 1 . . 2434 . . 54 THR HA . 50941 1 321 . 1 . 1 54 54 THR HB H 1 4.127 0.005 . 1 . . 2433 . . 54 THR HB . 50941 1 322 . 1 . 1 54 54 THR C C 13 172.646 . . 1 . . 1253 . . 54 THR C . 50941 1 323 . 1 . 1 54 54 THR CA C 13 60.491 0.029 . 1 . . 1254 . . 54 THR CA . 50941 1 324 . 1 . 1 54 54 THR CB C 13 72.230 0.048 . 1 . . 1255 . . 54 THR CB . 50941 1 325 . 1 . 1 54 54 THR CG2 C 13 21.832 . . 1 . . 2390 . . 54 THR CG2 . 50941 1 326 . 1 . 1 54 54 THR N N 15 114.628 0.104 . 1 . . 784 . . 54 THR N . 50941 1 327 . 1 . 1 55 55 TYR H H 1 8.480 0.003 . 1 . . 231 . . 55 TYR H . 50941 1 328 . 1 . 1 55 55 TYR HA H 1 4.877 0.005 . 1 . . 2493 . . 55 TYR HA . 50941 1 329 . 1 . 1 55 55 TYR HB2 H 1 2.732 0.003 . 2 . . 2491 . . 55 TYR HB2 . 50941 1 330 . 1 . 1 55 55 TYR HB3 H 1 2.406 0.001 . 2 . . 2492 . . 55 TYR HB3 . 50941 1 331 . 1 . 1 55 55 TYR C C 13 173.161 . . 1 . . 1086 . . 55 TYR C . 50941 1 332 . 1 . 1 55 55 TYR CA C 13 56.865 0.039 . 1 . . 1085 . . 55 TYR CA . 50941 1 333 . 1 . 1 55 55 TYR CB C 13 41.459 0.078 . 1 . . 1084 . . 55 TYR CB . 50941 1 334 . 1 . 1 55 55 TYR N N 15 120.727 0.029 . 1 . . 232 . . 55 TYR N . 50941 1 335 . 1 . 1 56 56 ASP H H 1 7.547 0.003 . 1 . . 553 . . 56 ASP H . 50941 1 336 . 1 . 1 56 56 ASP HA H 1 4.495 0.003 . 1 . . 2494 . . 56 ASP HA . 50941 1 337 . 1 . 1 56 56 ASP HB2 H 1 2.169 0.002 . 2 . . 2495 . . 56 ASP HB2 . 50941 1 338 . 1 . 1 56 56 ASP HB3 H 1 2.474 0.012 . 2 . . 2496 . . 56 ASP HB3 . 50941 1 339 . 1 . 1 56 56 ASP C C 13 174.405 . . 1 . . 817 . . 56 ASP C . 50941 1 340 . 1 . 1 56 56 ASP CA C 13 51.785 0.011 . 1 . . 819 . . 56 ASP CA . 50941 1 341 . 1 . 1 56 56 ASP CB C 13 42.874 0.014 . 1 . . 818 . . 56 ASP CB . 50941 1 342 . 1 . 1 56 56 ASP N N 15 128.452 0.051 . 1 . . 554 . . 56 ASP N . 50941 1 343 . 1 . 1 57 57 ASP H H 1 8.436 0.005 . 1 . . 209 . . 57 ASP H . 50941 1 344 . 1 . 1 57 57 ASP HA H 1 3.992 0.001 . 1 . . 2497 . . 57 ASP HA . 50941 1 345 . 1 . 1 57 57 ASP HB2 H 1 2.708 0.002 . 1 . . 2498 . . 57 ASP HB2 . 50941 1 346 . 1 . 1 57 57 ASP C C 13 178.021 0.047 . 1 . . 882 . . 57 ASP C . 50941 1 347 . 1 . 1 57 57 ASP CA C 13 56.268 0.027 . 1 . . 883 . . 57 ASP CA . 50941 1 348 . 1 . 1 57 57 ASP CB C 13 41.769 0.046 . 1 . . 884 . . 57 ASP CB . 50941 1 349 . 1 . 1 57 57 ASP N N 15 124.897 0.048 . 1 . . 210 . . 57 ASP N . 50941 1 350 . 1 . 1 58 58 ALA H H 1 8.205 0.002 . 1 . . 1422 . . 58 ALA H . 50941 1 351 . 1 . 1 58 58 ALA HA H 1 4.022 0.003 . 1 . . 2504 . . 58 ALA HA . 50941 1 352 . 1 . 1 58 58 ALA HB1 H 1 1.384 0.0 . 1 . . 2505 . . 58 ALA HB1 . 50941 1 353 . 1 . 1 58 58 ALA HB2 H 1 1.384 0.0 . 1 . . 2505 . . 58 ALA HB2 . 50941 1 354 . 1 . 1 58 58 ALA HB3 H 1 1.384 0.0 . 1 . . 2505 . . 58 ALA HB3 . 50941 1 355 . 1 . 1 58 58 ALA C C 13 179.709 . . 1 . . 1426 . . 58 ALA C . 50941 1 356 . 1 . 1 58 58 ALA CA C 13 55.016 0.024 . 1 . . 1424 . . 58 ALA CA . 50941 1 357 . 1 . 1 58 58 ALA CB C 13 18.314 0.052 . 1 . . 1425 . . 58 ALA CB . 50941 1 358 . 1 . 1 58 58 ALA N N 15 119.955 0.209 . 1 . . 1423 . . 58 ALA N . 50941 1 359 . 1 . 1 59 59 THR H H 1 6.908 0.008 . 1 . . 293 . . 59 THR H . 50941 1 360 . 1 . 1 59 59 THR HA H 1 4.297 0.003 . 1 . . 2499 . . 59 THR HA . 50941 1 361 . 1 . 1 59 59 THR C C 13 175.145 . . 1 . . 1355 . . 59 THR C . 50941 1 362 . 1 . 1 59 59 THR CA C 13 60.389 0.062 . 1 . . 1354 . . 59 THR CA . 50941 1 363 . 1 . 1 59 59 THR CB C 13 70.218 0.064 . 1 . . 1353 . . 59 THR CB . 50941 1 364 . 1 . 1 59 59 THR CG2 C 13 21.113 . . 1 . . 2389 . . 59 THR CG2 . 50941 1 365 . 1 . 1 59 59 THR N N 15 103.337 0.049 . 1 . . 294 . . 59 THR N . 50941 1 366 . 1 . 1 60 60 LYS H H 1 7.767 0.006 . 1 . . 269 . . 60 LYS H . 50941 1 367 . 1 . 1 60 60 LYS HA H 1 4.051 0.002 . 1 . . 2500 . . 60 LYS HA . 50941 1 368 . 1 . 1 60 60 LYS HB2 H 1 1.887 0.002 . 1 . . 2501 . . 60 LYS HB2 . 50941 1 369 . 1 . 1 60 60 LYS C C 13 174.821 . . 1 . . 932 . . 60 LYS C . 50941 1 370 . 1 . 1 60 60 LYS CA C 13 57.157 0.054 . 1 . . 933 . . 60 LYS CA . 50941 1 371 . 1 . 1 60 60 LYS CB C 13 29.726 0.012 . 1 . . 934 . . 60 LYS CB . 50941 1 372 . 1 . 1 60 60 LYS CG C 13 24.736 . . 1 . . 2388 . . 60 LYS CG . 50941 1 373 . 1 . 1 60 60 LYS N N 15 123.620 0.057 . 1 . . 270 . . 60 LYS N . 50941 1 374 . 1 . 1 61 61 THR H H 1 7.250 0.01 . 1 . . 537 . . 61 THR H . 50941 1 375 . 1 . 1 61 61 THR HA H 1 5.378 0.006 . 1 . . 2503 . . 61 THR HA . 50941 1 376 . 1 . 1 61 61 THR HB H 1 3.656 0.006 . 1 . . 2502 . . 61 THR HB . 50941 1 377 . 1 . 1 61 61 THR C C 13 174.770 . . 1 . . 1319 . . 61 THR C . 50941 1 378 . 1 . 1 61 61 THR CA C 13 62.266 0.034 . 1 . . 1320 . . 61 THR CA . 50941 1 379 . 1 . 1 61 61 THR CB C 13 71.930 0.101 . 1 . . 1321 . . 61 THR CB . 50941 1 380 . 1 . 1 61 61 THR CG2 C 13 20.753 . . 1 . . 2387 . . 61 THR CG2 . 50941 1 381 . 1 . 1 61 61 THR N N 15 111.016 0.001 . 1 . . 538 . . 61 THR N . 50941 1 382 . 1 . 1 62 62 PHE H H 1 10.302 0.002 . 1 . . 675 . . 62 PHE H . 50941 1 383 . 1 . 1 62 62 PHE HA H 1 5.582 0.009 . 1 . . 2509 . . 62 PHE HA . 50941 1 384 . 1 . 1 62 62 PHE HB2 H 1 3.149 0.009 . 1 . . 2510 . . 62 PHE HB2 . 50941 1 385 . 1 . 1 62 62 PHE C C 13 174.496 . . 1 . . 804 . . 62 PHE C . 50941 1 386 . 1 . 1 62 62 PHE CA C 13 57.123 0.037 . 1 . . 803 . . 62 PHE CA . 50941 1 387 . 1 . 1 62 62 PHE CB C 13 42.645 0.049 . 1 . . 802 . . 62 PHE CB . 50941 1 388 . 1 . 1 62 62 PHE N N 15 131.066 0.023 . 1 . . 676 . . 62 PHE N . 50941 1 389 . 1 . 1 63 63 THR H H 1 8.991 0.007 . 1 . . 785 . . 63 THR H . 50941 1 390 . 1 . 1 63 63 THR HA H 1 5.093 0.007 . 1 . . 2511 . . 63 THR HA . 50941 1 391 . 1 . 1 63 63 THR HB H 1 3.720 0.002 . 1 . . 2512 . . 63 THR HB . 50941 1 392 . 1 . 1 63 63 THR C C 13 172.547 0.027 . 1 . . 1528 . . 63 THR C . 50941 1 393 . 1 . 1 63 63 THR CA C 13 61.583 0.034 . 1 . . 1209 . . 63 THR CA . 50941 1 394 . 1 . 1 63 63 THR CB C 13 71.116 0.005 . 1 . . 1210 . . 63 THR CB . 50941 1 395 . 1 . 1 63 63 THR CG2 C 13 20.534 . . 1 . . 2386 . . 63 THR CG2 . 50941 1 396 . 1 . 1 63 63 THR N N 15 117.018 0.04 . 1 . . 786 . . 63 THR N . 50941 1 397 . 1 . 1 64 64 VAL H H 1 8.110 0.003 . 1 . . 77 . . 64 VAL H . 50941 1 398 . 1 . 1 64 64 VAL HA H 1 4.372 0.002 . 1 . . 2513 . . 64 VAL HA . 50941 1 399 . 1 . 1 64 64 VAL HB H 1 -0.338 0.001 . 1 . . 2514 . . 64 VAL HB . 50941 1 400 . 1 . 1 64 64 VAL C C 13 173.266 . . 1 . . 943 . . 64 VAL C . 50941 1 401 . 1 . 1 64 64 VAL CA C 13 58.092 0.018 . 1 . . 945 . . 64 VAL CA . 50941 1 402 . 1 . 1 64 64 VAL CB C 13 32.192 0.066 . 1 . . 944 . . 64 VAL CB . 50941 1 403 . 1 . 1 64 64 VAL CG1 C 13 19.691 . . 2 . . 2384 . . 64 VAL CG1 . 50941 1 404 . 1 . 1 64 64 VAL CG2 C 13 20.471 . . 2 . . 2385 . . 64 VAL CG2 . 50941 1 405 . 1 . 1 64 64 VAL N N 15 123.306 0.014 . 1 . . 78 . . 64 VAL N . 50941 1 406 . 1 . 1 65 65 THR H H 1 8.248 0.003 . 1 . . 489 . . 65 THR H . 50941 1 407 . 1 . 1 65 65 THR HA H 1 4.591 0.004 . 1 . . 2520 . . 65 THR HA . 50941 1 408 . 1 . 1 65 65 THR HB H 1 3.760 0.007 . 1 . . 2515 . . 65 THR HB . 50941 1 409 . 1 . 1 65 65 THR C C 13 174.388 . . 1 . . 938 . . 65 THR C . 50941 1 410 . 1 . 1 65 65 THR CA C 13 60.844 0.004 . 1 . . 940 . . 65 THR CA . 50941 1 411 . 1 . 1 65 65 THR CB C 13 70.434 0.007 . 1 . . 939 . . 65 THR CB . 50941 1 412 . 1 . 1 65 65 THR CG2 C 13 21.217 . . 1 . . 2383 . . 65 THR CG2 . 50941 1 413 . 1 . 1 65 65 THR N N 15 123.334 0.027 . 1 . . 490 . . 65 THR N . 50941 1 414 . 1 . 1 66 66 GLU H H 1 8.045 0.002 . 1 . . 627 . . 66 GLU H . 50941 1 415 . 1 . 1 66 66 GLU HA H 1 4.428 0.002 . 1 . . 2516 . . 66 GLU HA . 50941 1 416 . 1 . 1 66 66 GLU HB2 H 1 2.058 0.001 . 2 . . 2517 . . 66 GLU HB2 . 50941 1 417 . 1 . 1 66 66 GLU HB3 H 1 1.935 0.006 . 2 . . 2519 . . 66 GLU HB3 . 50941 1 418 . 1 . 1 66 66 GLU C C 13 176.076 . . 1 . . 807 . . 66 GLU C . 50941 1 419 . 1 . 1 66 66 GLU CA C 13 56.332 0.066 . 1 . . 805 . . 66 GLU CA . 50941 1 420 . 1 . 1 66 66 GLU CB C 13 31.758 0.022 . 1 . . 806 . . 66 GLU CB . 50941 1 421 . 1 . 1 66 66 GLU CG C 13 36.337 . . 1 . . 2382 . . 66 GLU CG . 50941 1 422 . 1 . 1 66 66 GLU N N 15 128.790 0.041 . 1 . . 628 . . 66 GLU N . 50941 1 423 . 1 . 1 67 67 GLY H H 1 8.687 0.007 . 1 . . 119 . . 67 GLY H . 50941 1 424 . 1 . 1 67 67 GLY HA2 H 1 3.943 0.005 . 1 . . 2521 . . 67 GLY HA2 . 50941 1 425 . 1 . 1 67 67 GLY C C 13 173.789 . . 1 . . 1301 . . 67 GLY C . 50941 1 426 . 1 . 1 67 67 GLY CA C 13 45.185 0.025 . 1 . . 1300 . . 67 GLY CA . 50941 1 427 . 1 . 1 67 67 GLY N N 15 112.633 0.014 . 1 . . 120 . . 67 GLY N . 50941 1 428 . 1 . 1 68 68 SER H H 1 8.328 0.003 . 1 . . 2164 . . 68 SER H . 50941 1 429 . 1 . 1 68 68 SER HA H 1 4.336 0.004 . 1 . . 2522 . . 68 SER HA . 50941 1 430 . 1 . 1 68 68 SER HB2 H 1 3.773 0.013 . 1 . . 2523 . . 68 SER HB2 . 50941 1 431 . 1 . 1 68 68 SER C C 13 175.182 . . 1 . . 2168 . . 68 SER C . 50941 1 432 . 1 . 1 68 68 SER CA C 13 58.451 0.036 . 1 . . 2166 . . 68 SER CA . 50941 1 433 . 1 . 1 68 68 SER CB C 13 64.014 0.02 . 1 . . 2167 . . 68 SER CB . 50941 1 434 . 1 . 1 68 68 SER N N 15 115.345 0.058 . 1 . . 2165 . . 68 SER N . 50941 1 435 . 1 . 1 69 69 GLY H H 1 8.473 0.004 . 1 . . 557 . . 69 GLY H . 50941 1 436 . 1 . 1 69 69 GLY HA2 H 1 3.906 0.001 . 1 . . 2524 . . 69 GLY HA2 . 50941 1 437 . 1 . 1 69 69 GLY C C 13 174.266 . . 1 . . 1318 . . 69 GLY C . 50941 1 438 . 1 . 1 69 69 GLY CA C 13 45.282 0.058 . 1 . . 1316 . . 69 GLY CA . 50941 1 439 . 1 . 1 69 69 GLY N N 15 111.011 0.005 . 1 . . 558 . . 69 GLY N . 50941 1 440 . 1 . 1 70 70 SER H H 1 8.307 0.002 . 1 . . 267 . . 70 SER H . 50941 1 441 . 1 . 1 70 70 SER HA H 1 4.367 0.0 . 1 . . 2528 . . 70 SER HA . 50941 1 442 . 1 . 1 70 70 SER HB2 H 1 3.773 0.001 . 1 . . 2527 . . 70 SER HB2 . 50941 1 443 . 1 . 1 70 70 SER C C 13 175.221 . . 1 . . 1234 . . 70 SER C . 50941 1 444 . 1 . 1 70 70 SER CA C 13 58.493 0.05 . 1 . . 1233 . . 70 SER CA . 50941 1 445 . 1 . 1 70 70 SER CB C 13 63.927 0.047 . 1 . . 1232 . . 70 SER CB . 50941 1 446 . 1 . 1 70 70 SER N N 15 115.795 0.012 . 1 . . 268 . . 70 SER N . 50941 1 447 . 1 . 1 71 71 GLY H H 1 8.527 0.006 . 1 . . 751 . . 71 GLY H . 50941 1 448 . 1 . 1 71 71 GLY HA2 H 1 3.932 0.005 . 1 . . 2529 . . 71 GLY HA2 . 50941 1 449 . 1 . 1 71 71 GLY C C 13 174.475 . . 1 . . 1314 . . 71 GLY C . 50941 1 450 . 1 . 1 71 71 GLY CA C 13 45.436 0.002 . 1 . . 1315 . . 71 GLY CA . 50941 1 451 . 1 . 1 71 71 GLY N N 15 111.439 0.039 . 1 . . 752 . . 71 GLY N . 50941 1 452 . 1 . 1 72 72 SER H H 1 8.166 0.003 . 1 . . 575 . . 72 SER H . 50941 1 453 . 1 . 1 72 72 SER HA H 1 4.324 0.001 . 1 . . 2532 . . 72 SER HA . 50941 1 454 . 1 . 1 72 72 SER HB2 H 1 3.756 . . 1 . . 2534 . . 72 SER HB2 . 50941 1 455 . 1 . 1 72 72 SER C C 13 174.687 . . 1 . . 1225 . . 72 SER C . 50941 1 456 . 1 . 1 72 72 SER CA C 13 58.597 0.004 . 1 . . 1223 . . 72 SER CA . 50941 1 457 . 1 . 1 72 72 SER CB C 13 63.800 0.039 . 1 . . 1224 . . 72 SER CB . 50941 1 458 . 1 . 1 72 72 SER N N 15 115.713 0.034 . 1 . . 576 . . 72 SER N . 50941 1 459 . 1 . 1 73 73 GLU H H 1 8.510 0.011 . 1 . . 773 . . 73 GLU H . 50941 1 460 . 1 . 1 73 73 GLU HA H 1 4.151 0.003 . 1 . . 2535 . . 73 GLU HA . 50941 1 461 . 1 . 1 73 73 GLU HB2 H 1 1.877 0.003 . 1 . . 2536 . . 73 GLU HB2 . 50941 1 462 . 1 . 1 73 73 GLU C C 13 176.196 0.019 . 1 . . 971 . . 73 GLU C . 50941 1 463 . 1 . 1 73 73 GLU CA C 13 56.981 0.036 . 1 . . 972 . . 73 GLU CA . 50941 1 464 . 1 . 1 73 73 GLU CB C 13 29.800 0.032 . 1 . . 973 . . 73 GLU CB . 50941 1 465 . 1 . 1 73 73 GLU CG C 13 36.098 . . 1 . . 2381 . . 73 GLU CG . 50941 1 466 . 1 . 1 73 73 GLU N N 15 122.395 0.013 . 1 . . 774 . . 73 GLU N . 50941 1 467 . 1 . 1 74 74 ASN H H 1 8.267 0.002 . 1 . . 1154 . . 74 ASN H . 50941 1 468 . 1 . 1 74 74 ASN HA H 1 4.513 0.018 . 1 . . 2538 . . 74 ASN HA . 50941 1 469 . 1 . 1 74 74 ASN HB2 H 1 2.618 0.005 . 1 . . 2537 . . 74 ASN HB2 . 50941 1 470 . 1 . 1 74 74 ASN C C 13 174.981 . . 1 . . 1158 . . 74 ASN C . 50941 1 471 . 1 . 1 74 74 ASN CA C 13 53.263 0.024 . 1 . . 1157 . . 74 ASN CA . 50941 1 472 . 1 . 1 74 74 ASN CB C 13 38.733 0.046 . 1 . . 1156 . . 74 ASN CB . 50941 1 473 . 1 . 1 74 74 ASN N N 15 118.796 0.207 . 1 . . 1155 . . 74 ASN N . 50941 1 474 . 1 . 1 75 75 LEU H H 1 7.986 0.003 . 1 . . 980 . . 75 LEU H . 50941 1 475 . 1 . 1 75 75 LEU HA H 1 4.101 0.006 . 1 . . 2539 . . 75 LEU HA . 50941 1 476 . 1 . 1 75 75 LEU C C 13 176.980 . . 1 . . 2171 . . 75 LEU C . 50941 1 477 . 1 . 1 75 75 LEU CA C 13 55.558 0.008 . 1 . . 1404 . . 75 LEU CA . 50941 1 478 . 1 . 1 75 75 LEU CB C 13 42.111 0.076 . 1 . . 982 . . 75 LEU CB . 50941 1 479 . 1 . 1 75 75 LEU CG C 13 26.648 . . 1 . . 2380 . . 75 LEU CG . 50941 1 480 . 1 . 1 75 75 LEU CD1 C 13 24.897 . . 2 . . 2378 . . 75 LEU CD1 . 50941 1 481 . 1 . 1 75 75 LEU CD2 C 13 23.252 . . 2 . . 2379 . . 75 LEU CD2 . 50941 1 482 . 1 . 1 75 75 LEU N N 15 122.262 0.105 . 1 . . 981 . . 75 LEU N . 50941 1 483 . 1 . 1 76 76 TYR H H 1 7.970 0.005 . 1 . . 173 . . 76 TYR H . 50941 1 484 . 1 . 1 76 76 TYR HA H 1 4.375 0.002 . 1 . . 2541 . . 76 TYR HA . 50941 1 485 . 1 . 1 76 76 TYR HB2 H 1 2.790 0.004 . 1 . . 2540 . . 76 TYR HB2 . 50941 1 486 . 1 . 1 76 76 TYR C C 13 175.553 . . 1 . . 1083 . . 76 TYR C . 50941 1 487 . 1 . 1 76 76 TYR CA C 13 57.838 0.06 . 1 . . 1081 . . 76 TYR CA . 50941 1 488 . 1 . 1 76 76 TYR CB C 13 38.534 0.036 . 1 . . 1082 . . 76 TYR CB . 50941 1 489 . 1 . 1 76 76 TYR N N 15 119.794 0.024 . 1 . . 174 . . 76 TYR N . 50941 1 490 . 1 . 1 77 77 PHE H H 1 7.949 0.006 . 1 . . 579 . . 77 PHE H . 50941 1 491 . 1 . 1 77 77 PHE HA H 1 4.516 0.002 . 1 . . 2542 . . 77 PHE HA . 50941 1 492 . 1 . 1 77 77 PHE HB2 H 1 2.948 0.001 . 1 . . 2543 . . 77 PHE HB2 . 50941 1 493 . 1 . 1 77 77 PHE C C 13 176.050 . . 1 . . 2173 . . 77 PHE C . 50941 1 494 . 1 . 1 77 77 PHE CA C 13 57.619 0.019 . 1 . . 2377 . . 77 PHE CA . 50941 1 495 . 1 . 1 77 77 PHE CB C 13 39.452 0.042 . 1 . . 1021 . . 77 PHE CB . 50941 1 496 . 1 . 1 77 77 PHE N N 15 121.366 0.04 . 1 . . 580 . . 77 PHE N . 50941 1 497 . 1 . 1 78 78 GLN H H 1 8.311 0.002 . 1 . . 1430 . . 78 GLN H . 50941 1 498 . 1 . 1 78 78 GLN HA H 1 4.129 0.004 . 1 . . 2544 . . 78 GLN HA . 50941 1 499 . 1 . 1 78 78 GLN HB2 H 1 1.846 0.002 . 1 . . 2545 . . 78 GLN HB2 . 50941 1 500 . 1 . 1 78 78 GLN C C 13 176.556 . . 1 . . 2277 . . 78 GLN C . 50941 1 501 . 1 . 1 78 78 GLN CA C 13 56.765 0.027 . 1 . . 1432 . . 78 GLN CA . 50941 1 502 . 1 . 1 78 78 GLN CB C 13 30.191 0.022 . 1 . . 1433 . . 78 GLN CB . 50941 1 503 . 1 . 1 78 78 GLN CG C 13 36.099 . . 1 . . 2376 . . 78 GLN CG . 50941 1 504 . 1 . 1 78 78 GLN N N 15 122.294 0.064 . 1 . . 1431 . . 78 GLN N . 50941 1 505 . 1 . 1 79 79 GLY H H 1 7.967 0.002 . 1 . . 1427 . . 79 GLY H . 50941 1 506 . 1 . 1 79 79 GLY HA2 H 1 3.800 0.013 . 1 . . 2546 . . 79 GLY HA2 . 50941 1 507 . 1 . 1 79 79 GLY C C 13 174.004 . . 1 . . 1487 . . 79 GLY C . 50941 1 508 . 1 . 1 79 79 GLY CA C 13 45.326 0.037 . 1 . . 1429 . . 79 GLY CA . 50941 1 509 . 1 . 1 79 79 GLY N N 15 109.354 0.011 . 1 . . 1428 . . 79 GLY N . 50941 1 510 . 1 . 1 80 80 ALA H H 1 8.074 0.009 . 1 . . 759 . . 80 ALA H . 50941 1 511 . 1 . 1 80 80 ALA HA H 1 4.160 0.0 . 1 . . 2547 . . 80 ALA HA . 50941 1 512 . 1 . 1 80 80 ALA HB1 H 1 1.272 0.0 . 1 . . 2548 . . 80 ALA HB1 . 50941 1 513 . 1 . 1 80 80 ALA HB2 H 1 1.272 0.0 . 1 . . 2548 . . 80 ALA HB2 . 50941 1 514 . 1 . 1 80 80 ALA HB3 H 1 1.272 0.0 . 1 . . 2548 . . 80 ALA HB3 . 50941 1 515 . 1 . 1 80 80 ALA C C 13 177.763 . . 1 . . 927 . . 80 ALA C . 50941 1 516 . 1 . 1 80 80 ALA CA C 13 52.615 0.011 . 1 . . 925 . . 80 ALA CA . 50941 1 517 . 1 . 1 80 80 ALA CB C 13 18.750 . . 1 . . 926 . . 80 ALA CB . 50941 1 518 . 1 . 1 80 80 ALA N N 15 123.668 0.109 . 1 . . 760 . . 80 ALA N . 50941 1 519 . 1 . 1 84 84 GLU C C 13 176.162 . . 1 . . 1682 . . 84 GLU C . 50941 1 520 . 1 . 1 84 84 GLU CA C 13 61.228 . . 1 . . 1680 . . 84 GLU CA . 50941 1 521 . 1 . 1 84 84 GLU CB C 13 38.232 . . 1 . . 1681 . . 84 GLU CB . 50941 1 522 . 1 . 1 84 84 GLU CG C 13 36.099 . . 1 . . 2375 . . 84 GLU CG . 50941 1 523 . 1 . 1 85 85 VAL H H 1 8.170 0.004 . 1 . . 337 . . 85 VAL H . 50941 1 524 . 1 . 1 85 85 VAL C C 13 175.488 . . 1 . . 892 . . 85 VAL C . 50941 1 525 . 1 . 1 85 85 VAL CA C 13 61.964 0.059 . 1 . . 893 . . 85 VAL CA . 50941 1 526 . 1 . 1 85 85 VAL CB C 13 32.822 0.026 . 1 . . 894 . . 85 VAL CB . 50941 1 527 . 1 . 1 85 85 VAL CG1 C 13 20.652 . . 1 . . 2374 . . 85 VAL CG1 . 50941 1 528 . 1 . 1 85 85 VAL N N 15 124.649 0.076 . 1 . . 338 . . 85 VAL N . 50941 1 529 . 1 . 1 86 86 GLY H H 1 7.144 0.005 . 1 . . 603 . . 86 GLY H . 50941 1 530 . 1 . 1 86 86 GLY HA2 H 1 4.039 0.009 . 1 . . 2641 . . 86 GLY HA2 . 50941 1 531 . 1 . 1 86 86 GLY C C 13 170.496 . . 1 . . 2279 . . 86 GLY C . 50941 1 532 . 1 . 1 86 86 GLY CA C 13 45.952 0.045 . 1 . . 1350 . . 86 GLY CA . 50941 1 533 . 1 . 1 86 86 GLY N N 15 105.255 0.0 . 1 . . 604 . . 86 GLY N . 50941 1 534 . 1 . 1 87 87 GLN H H 1 8.096 0.01 . 1 . . 437 . . 87 GLN H . 50941 1 535 . 1 . 1 87 87 GLN HA H 1 4.968 0.004 . 1 . . 2642 . . 87 GLN HA . 50941 1 536 . 1 . 1 87 87 GLN HB2 H 1 1.774 0.005 . 1 . . 2643 . . 87 GLN HB2 . 50941 1 537 . 1 . 1 87 87 GLN C C 13 174.908 . . 1 . . 2430 . . 87 GLN C . 50941 1 538 . 1 . 1 87 87 GLN CA C 13 54.422 0.01 . 1 . . 1198 . . 87 GLN CA . 50941 1 539 . 1 . 1 87 87 GLN CB C 13 32.379 0.022 . 1 . . 1197 . . 87 GLN CB . 50941 1 540 . 1 . 1 87 87 GLN CG C 13 33.936 . . 1 . . 2373 . . 87 GLN CG . 50941 1 541 . 1 . 1 87 87 GLN N N 15 117.151 0.188 . 1 . . 438 . . 87 GLN N . 50941 1 542 . 1 . 1 88 88 ILE H H 1 8.838 0.003 . 1 . . 507 . . 88 ILE H . 50941 1 543 . 1 . 1 88 88 ILE HA H 1 4.077 0.0 . 1 . . 2645 . . 88 ILE HA . 50941 1 544 . 1 . 1 88 88 ILE HB H 1 2.053 0.001 . 1 . . 2644 . . 88 ILE HB . 50941 1 545 . 1 . 1 88 88 ILE C C 13 176.166 . . 1 . . 903 . . 88 ILE C . 50941 1 546 . 1 . 1 88 88 ILE CA C 13 62.780 0.013 . 1 . . 901 . . 88 ILE CA . 50941 1 547 . 1 . 1 88 88 ILE CB C 13 37.175 0.042 . 1 . . 902 . . 88 ILE CB . 50941 1 548 . 1 . 1 88 88 ILE N N 15 124.014 0.025 . 1 . . 508 . . 88 ILE N . 50941 1 549 . 1 . 1 89 89 VAL H H 1 8.787 0.005 . 1 . . 683 . . 89 VAL H . 50941 1 550 . 1 . 1 89 89 VAL HA H 1 4.386 0.004 . 1 . . 2647 . . 89 VAL HA . 50941 1 551 . 1 . 1 89 89 VAL HB H 1 2.057 0.003 . 1 . . 2646 . . 89 VAL HB . 50941 1 552 . 1 . 1 89 89 VAL C C 13 175.918 . . 1 . . 862 . . 89 VAL C . 50941 1 553 . 1 . 1 89 89 VAL CA C 13 62.481 0.021 . 1 . . 2210 . . 89 VAL CA . 50941 1 554 . 1 . 1 89 89 VAL CB C 13 32.962 0.028 . 1 . . 861 . . 89 VAL CB . 50941 1 555 . 1 . 1 89 89 VAL CG1 C 13 19.784 . . 2 . . 2371 . . 89 VAL CG1 . 50941 1 556 . 1 . 1 89 89 VAL CG2 C 13 21.973 . . 2 . . 2372 . . 89 VAL CG2 . 50941 1 557 . 1 . 1 89 89 VAL N N 15 125.467 0.136 . 1 . . 684 . . 89 VAL N . 50941 1 558 . 1 . 1 90 90 ASN H H 1 7.730 0.014 . 1 . . 659 . . 90 ASN H . 50941 1 559 . 1 . 1 90 90 ASN HA H 1 4.681 0.003 . 1 . . 2648 . . 90 ASN HA . 50941 1 560 . 1 . 1 90 90 ASN HB2 H 1 2.825 0.008 . 2 . . 2649 . . 90 ASN HB2 . 50941 1 561 . 1 . 1 90 90 ASN HB3 H 1 2.637 0.012 . 2 . . 2650 . . 90 ASN HB3 . 50941 1 562 . 1 . 1 90 90 ASN C C 13 174.737 . . 1 . . 1256 . . 90 ASN C . 50941 1 563 . 1 . 1 90 90 ASN CA C 13 52.185 0.031 . 1 . . 1258 . . 90 ASN CA . 50941 1 564 . 1 . 1 90 90 ASN CB C 13 41.887 0.06 . 1 . . 1257 . . 90 ASN CB . 50941 1 565 . 1 . 1 90 90 ASN N N 15 114.431 0.079 . 1 . . 660 . . 90 ASN N . 50941 1 566 . 1 . 1 91 91 THR H H 1 8.818 0.002 . 1 . . 551 . . 91 THR H . 50941 1 567 . 1 . 1 91 91 THR HA H 1 4.505 0.01 . 1 . . 2651 . . 91 THR HA . 50941 1 568 . 1 . 1 91 91 THR HB H 1 4.211 0.002 . 1 . . 2652 . . 91 THR HB . 50941 1 569 . 1 . 1 91 91 THR C C 13 173.053 . . 1 . . 2303 . . 91 THR C . 50941 1 570 . 1 . 1 91 91 THR CA C 13 61.118 0.012 . 1 . . 2193 . . 91 THR CA . 50941 1 571 . 1 . 1 91 91 THR CB C 13 69.765 0.04 . 1 . . 1323 . . 91 THR CB . 50941 1 572 . 1 . 1 91 91 THR CG2 C 13 22.041 . . 1 . . 2370 . . 91 THR CG2 . 50941 1 573 . 1 . 1 91 91 THR N N 15 110.629 0.101 . 1 . . 552 . . 91 THR N . 50941 1 574 . 1 . 1 92 92 HIS H H 1 8.143 0.003 . 1 . . 1462 . . 92 HIS H . 50941 1 575 . 1 . 1 92 92 HIS HA H 1 4.658 0.002 . 1 . . 2653 . . 92 HIS HA . 50941 1 576 . 1 . 1 92 92 HIS C C 13 174.428 . . 1 . . 1485 . . 92 HIS C . 50941 1 577 . 1 . 1 92 92 HIS CA C 13 55.672 0.041 . 1 . . 1464 . . 92 HIS CA . 50941 1 578 . 1 . 1 92 92 HIS CB C 13 32.445 0.03 . 1 . . 1465 . . 92 HIS CB . 50941 1 579 . 1 . 1 92 92 HIS N N 15 119.857 0.001 . 1 . . 1463 . . 92 HIS N . 50941 1 580 . 1 . 1 93 93 GLY H H 1 8.368 0.002 . 1 . . 9 . . 93 GLY H . 50941 1 581 . 1 . 1 93 93 GLY C C 13 175.371 . . 1 . . 2304 . . 93 GLY C . 50941 1 582 . 1 . 1 93 93 GLY CA C 13 44.843 0.039 . 1 . . 1268 . . 93 GLY CA . 50941 1 583 . 1 . 1 93 93 GLY N N 15 114.144 0.109 . 1 . . 10 . . 93 GLY N . 50941 1 584 . 1 . 1 94 94 ILE H H 1 8.653 0.005 . 1 . . 2280 . . 94 ILE H . 50941 1 585 . 1 . 1 94 94 ILE C C 13 177.134 . . 1 . . 2307 . . 94 ILE C . 50941 1 586 . 1 . 1 94 94 ILE CA C 13 62.017 0.032 . 1 . . 2282 . . 94 ILE CA . 50941 1 587 . 1 . 1 94 94 ILE N N 15 115.060 0.0 . 1 . . 2281 . . 94 ILE N . 50941 1 588 . 1 . 1 95 95 LYS H H 1 8.998 0.018 . 1 . . 233 . . 95 LYS H . 50941 1 589 . 1 . 1 95 95 LYS HA H 1 4.399 0.004 . 1 . . 2655 . . 95 LYS HA . 50941 1 590 . 1 . 1 95 95 LYS HB2 H 1 1.487 0.004 . 1 . . 2654 . . 95 LYS HB2 . 50941 1 591 . 1 . 1 95 95 LYS C C 13 175.397 . . 1 . . 898 . . 95 LYS C . 50941 1 592 . 1 . 1 95 95 LYS CA C 13 55.775 0.063 . 1 . . 899 . . 95 LYS CA . 50941 1 593 . 1 . 1 95 95 LYS CB C 13 31.711 0.026 . 1 . . 1810 . . 95 LYS CB . 50941 1 594 . 1 . 1 95 95 LYS N N 15 124.157 0.06 . 1 . . 234 . . 95 LYS N . 50941 1 595 . 1 . 1 96 96 GLY H H 1 7.707 0.007 . 1 . . 577 . . 96 GLY H . 50941 1 596 . 1 . 1 96 96 GLY HA2 H 1 3.918 0.001 . 2 . . 2656 . . 96 GLY HA2 . 50941 1 597 . 1 . 1 96 96 GLY HA3 H 1 2.993 0.004 . 2 . . 2657 . . 96 GLY HA3 . 50941 1 598 . 1 . 1 96 96 GLY C C 13 172.887 . . 1 . . 2283 . . 96 GLY C . 50941 1 599 . 1 . 1 96 96 GLY CA C 13 45.197 0.027 . 1 . . 1349 . . 96 GLY CA . 50941 1 600 . 1 . 1 96 96 GLY N N 15 106.195 0.022 . 1 . . 578 . . 96 GLY N . 50941 1 601 . 1 . 1 97 97 GLU H H 1 7.722 0.005 . 1 . . 1418 . . 97 GLU H . 50941 1 602 . 1 . 1 97 97 GLU C C 13 176.253 . . 1 . . 1488 . . 97 GLU C . 50941 1 603 . 1 . 1 97 97 GLU CA C 13 56.573 0.05 . 1 . . 1420 . . 97 GLU CA . 50941 1 604 . 1 . 1 97 97 GLU CB C 13 30.450 0.017 . 1 . . 1421 . . 97 GLU CB . 50941 1 605 . 1 . 1 97 97 GLU N N 15 121.476 0.054 . 1 . . 1419 . . 97 GLU N . 50941 1 606 . 1 . 1 98 98 ILE H H 1 8.482 0.008 . 1 . . 101 . . 98 ILE H . 50941 1 607 . 1 . 1 98 98 ILE C C 13 173.618 . . 1 . . 1187 . . 98 ILE C . 50941 1 608 . 1 . 1 98 98 ILE CA C 13 59.584 0.023 . 1 . . 1186 . . 98 ILE CA . 50941 1 609 . 1 . 1 98 98 ILE CB C 13 30.373 0.094 . 1 . . 2231 . . 98 ILE CB . 50941 1 610 . 1 . 1 98 98 ILE N N 15 117.784 0.035 . 1 . . 102 . . 98 ILE N . 50941 1 611 . 1 . 1 99 99 LYS H H 1 8.354 0.007 . 1 . . 105 . . 99 LYS H . 50941 1 612 . 1 . 1 99 99 LYS HA H 1 4.975 0.004 . 1 . . 2660 . . 99 LYS HA . 50941 1 613 . 1 . 1 99 99 LYS HB2 H 1 1.457 0.015 . 1 . . 2658 . . 99 LYS HB2 . 50941 1 614 . 1 . 1 99 99 LYS C C 13 175.479 . . 1 . . 1149 . . 99 LYS C . 50941 1 615 . 1 . 1 99 99 LYS CA C 13 54.939 0.03 . 1 . . 1147 . . 99 LYS CA . 50941 1 616 . 1 . 1 99 99 LYS CB C 13 35.249 0.009 . 1 . . 1148 . . 99 LYS CB . 50941 1 617 . 1 . 1 99 99 LYS N N 15 119.221 0.045 . 1 . . 106 . . 99 LYS N . 50941 1 618 . 1 . 1 100 100 VAL H H 1 9.561 0.014 . 1 . . 27 . . 100 VAL H . 50941 1 619 . 1 . 1 100 100 VAL HA H 1 4.738 0.005 . 1 . . 2661 . . 100 VAL HA . 50941 1 620 . 1 . 1 100 100 VAL HB H 1 1.881 0.004 . 1 . . 2662 . . 100 VAL HB . 50941 1 621 . 1 . 1 100 100 VAL C C 13 174.308 . . 1 . . 867 . . 100 VAL C . 50941 1 622 . 1 . 1 100 100 VAL CA C 13 60.418 0.026 . 1 . . 868 . . 100 VAL CA . 50941 1 623 . 1 . 1 100 100 VAL CB C 13 35.357 0.015 . 1 . . 2369 . . 100 VAL CB . 50941 1 624 . 1 . 1 100 100 VAL N N 15 125.226 0.011 . 1 . . 28 . . 100 VAL N . 50941 1 625 . 1 . 1 101 101 LYS H H 1 8.626 0.006 . 1 . . 109 . . 101 LYS H . 50941 1 626 . 1 . 1 101 101 LYS C C 13 176.024 . . 1 . . 811 . . 101 LYS C . 50941 1 627 . 1 . 1 101 101 LYS CA C 13 54.449 . . 1 . . 812 . . 101 LYS CA . 50941 1 628 . 1 . 1 101 101 LYS CB C 13 34.487 0.048 . 1 . . 2187 . . 101 LYS CB . 50941 1 629 . 1 . 1 101 101 LYS N N 15 128.504 0.066 . 1 . . 110 . . 101 LYS N . 50941 1 630 . 1 . 1 102 102 SER H H 1 9.021 0.003 . 1 . . 407 . . 102 SER H . 50941 1 631 . 1 . 1 102 102 SER C C 13 174.773 . . 1 . . 2308 . . 102 SER C . 50941 1 632 . 1 . 1 102 102 SER CA C 13 58.142 0.064 . 1 . . 957 . . 102 SER CA . 50941 1 633 . 1 . 1 102 102 SER CB C 13 65.242 0.007 . 1 . . 958 . . 102 SER CB . 50941 1 634 . 1 . 1 102 102 SER N N 15 122.622 0.054 . 1 . . 408 . . 102 SER N . 50941 1 635 . 1 . 1 103 103 ASN H H 1 8.532 0.008 . 1 . . 527 . . 103 ASN H . 50941 1 636 . 1 . 1 103 103 ASN HA H 1 4.101 0.005 . 1 . . 2664 . . 103 ASN HA . 50941 1 637 . 1 . 1 103 103 ASN HB2 H 1 2.663 0.003 . 1 . . 2663 . . 103 ASN HB2 . 50941 1 638 . 1 . 1 103 103 ASN C C 13 174.957 . . 1 . . 2311 . . 103 ASN C . 50941 1 639 . 1 . 1 103 103 ASN CA C 13 53.229 0.062 . 1 . . 941 . . 103 ASN CA . 50941 1 640 . 1 . 1 103 103 ASN CB C 13 39.007 0.059 . 1 . . 942 . . 103 ASN CB . 50941 1 641 . 1 . 1 103 103 ASN N N 15 123.145 0.085 . 1 . . 528 . . 103 ASN N . 50941 1 642 . 1 . 1 104 104 SER H H 1 8.166 0.006 . 1 . . 2232 . . 104 SER H . 50941 1 643 . 1 . 1 104 104 SER HA H 1 4.220 0.002 . 1 . . 2665 . . 104 SER HA . 50941 1 644 . 1 . 1 104 104 SER HB2 H 1 3.749 0.006 . 1 . . 2666 . . 104 SER HB2 . 50941 1 645 . 1 . 1 104 104 SER C C 13 174.866 . . 1 . . 2309 . . 104 SER C . 50941 1 646 . 1 . 1 104 104 SER CA C 13 60.210 0.015 . 1 . . 2262 . . 104 SER CA . 50941 1 647 . 1 . 1 104 104 SER CB C 13 63.474 0.008 . 1 . . 2263 . . 104 SER CB . 50941 1 648 . 1 . 1 104 104 SER N N 15 115.698 0.041 . 1 . . 2233 . . 104 SER N . 50941 1 649 . 1 . 1 105 105 ASP H H 1 8.569 0.012 . 1 . . 153 . . 105 ASP H . 50941 1 650 . 1 . 1 105 105 ASP HA H 1 4.416 0.002 . 1 . . 2668 . . 105 ASP HA . 50941 1 651 . 1 . 1 105 105 ASP HB2 H 1 2.355 0.001 . 1 . . 2667 . . 105 ASP HB2 . 50941 1 652 . 1 . 1 105 105 ASP C C 13 176.111 . . 1 . . 1091 . . 105 ASP C . 50941 1 653 . 1 . 1 105 105 ASP CA C 13 55.024 0.016 . 1 . . 1096 . . 105 ASP CA . 50941 1 654 . 1 . 1 105 105 ASP CB C 13 40.300 0.02 . 1 . . 2261 . . 105 ASP CB . 50941 1 655 . 1 . 1 105 105 ASP N N 15 120.481 0.072 . 1 . . 154 . . 105 ASP N . 50941 1 656 . 1 . 1 106 106 PHE H H 1 7.958 0.014 . 1 . . 453 . . 106 PHE H . 50941 1 657 . 1 . 1 106 106 PHE HA H 1 4.532 0.003 . 1 . . 2669 . . 106 PHE HA . 50941 1 658 . 1 . 1 106 106 PHE C C 13 176.087 . . 1 . . 2312 . . 106 PHE C . 50941 1 659 . 1 . 1 106 106 PHE CA C 13 57.975 0.03 . 1 . . 1188 . . 106 PHE CA . 50941 1 660 . 1 . 1 106 106 PHE CB C 13 39.718 0.019 . 1 . . 1189 . . 106 PHE CB . 50941 1 661 . 1 . 1 106 106 PHE N N 15 117.822 0.081 . 1 . . 454 . . 106 PHE N . 50941 1 662 . 1 . 1 107 107 THR H H 1 7.710 0.013 . 1 . . 1259 . . 107 THR H . 50941 1 663 . 1 . 1 107 107 THR HA H 1 3.823 0.005 . 1 . . 2670 . . 107 THR HA . 50941 1 664 . 1 . 1 107 107 THR HB H 1 3.967 0.003 . 1 . . 2671 . . 107 THR HB . 50941 1 665 . 1 . 1 107 107 THR C C 13 174.803 . . 1 . . 1263 . . 107 THR C . 50941 1 666 . 1 . 1 107 107 THR CA C 13 64.530 0.188 . 1 . . 1261 . . 107 THR CA . 50941 1 667 . 1 . 1 107 107 THR CB C 13 69.192 0.03 . 1 . . 1262 . . 107 THR CB . 50941 1 668 . 1 . 1 107 107 THR CG2 C 13 21.834 . . 1 . . 2368 . . 107 THR CG2 . 50941 1 669 . 1 . 1 107 107 THR N N 15 114.176 0.102 . 1 . . 1260 . . 107 THR N . 50941 1 670 . 1 . 1 108 108 ASP H H 1 8.251 0.005 . 1 . . 2174 . . 108 ASP H . 50941 1 671 . 1 . 1 108 108 ASP C C 13 175.921 . . 1 . . 2313 . . 108 ASP C . 50941 1 672 . 1 . 1 108 108 ASP CA C 13 54.433 0.046 . 1 . . 2176 . . 108 ASP CA . 50941 1 673 . 1 . 1 108 108 ASP CB C 13 40.642 0.004 . 1 . . 2264 . . 108 ASP CB . 50941 1 674 . 1 . 1 108 108 ASP N N 15 119.705 0.06 . 1 . . 2175 . . 108 ASP N . 50941 1 675 . 1 . 1 109 109 VAL H H 1 7.218 0.015 . 1 . . 131 . . 109 VAL H . 50941 1 676 . 1 . 1 109 109 VAL HA H 1 3.696 0.003 . 1 . . 2673 . . 109 VAL HA . 50941 1 677 . 1 . 1 109 109 VAL HB H 1 1.700 0.0 . 1 . . 2672 . . 109 VAL HB . 50941 1 678 . 1 . 1 109 109 VAL C C 13 175.383 . . 1 . . 1114 . . 109 VAL C . 50941 1 679 . 1 . 1 109 109 VAL CA C 13 62.764 0.142 . 1 . . 2267 . . 109 VAL CA . 50941 1 680 . 1 . 1 109 109 VAL CB C 13 32.408 0.004 . 1 . . 1113 . . 109 VAL CB . 50941 1 681 . 1 . 1 109 109 VAL N N 15 119.821 0.165 . 1 . . 132 . . 109 VAL N . 50941 1 682 . 1 . 1 113 113 PRO C C 13 177.535 . . 1 . . 1586 . . 113 PRO C . 50941 1 683 . 1 . 1 113 113 PRO CA C 13 63.714 . . 1 . . 1588 . . 113 PRO CA . 50941 1 684 . 1 . 1 113 113 PRO CB C 13 31.273 . . 1 . . 1587 . . 113 PRO CB . 50941 1 685 . 1 . 1 114 114 GLY H H 1 8.958 0.011 . 1 . . 167 . . 114 GLY H . 50941 1 686 . 1 . 1 114 114 GLY HA2 H 1 3.312 0.006 . 1 . . 2636 . . 114 GLY HA2 . 50941 1 687 . 1 . 1 114 114 GLY C C 13 174.418 . . 1 . . 1270 . . 114 GLY C . 50941 1 688 . 1 . 1 114 114 GLY CA C 13 44.739 0.036 . 1 . . 1269 . . 114 GLY CA . 50941 1 689 . 1 . 1 114 114 GLY N N 15 113.208 0.107 . 1 . . 168 . . 114 GLY N . 50941 1 690 . 1 . 1 115 115 GLN H H 1 8.008 0.007 . 1 . . 2224 . . 115 GLN H . 50941 1 691 . 1 . 1 115 115 GLN HA H 1 4.191 0.009 . 1 . . 2639 . . 115 GLN HA . 50941 1 692 . 1 . 1 115 115 GLN HB2 H 1 1.897 0.001 . 1 . . 2638 . . 115 GLN HB2 . 50941 1 693 . 1 . 1 115 115 GLN C C 13 174.830 . . 1 . . 1833 . . 115 GLN C . 50941 1 694 . 1 . 1 115 115 GLN CA C 13 56.356 0.057 . 1 . . 2227 . . 115 GLN CA . 50941 1 695 . 1 . 1 115 115 GLN CB C 13 29.775 0.026 . 1 . . 2292 . . 115 GLN CB . 50941 1 696 . 1 . 1 115 115 GLN CG C 13 34.316 . . 1 . . 2367 . . 115 GLN CG . 50941 1 697 . 1 . 1 115 115 GLN N N 15 121.229 0.065 . 1 . . 2225 . . 115 GLN N . 50941 1 698 . 1 . 1 116 116 VAL H H 1 8.450 0.003 . 1 . . 625 . . 116 VAL H . 50941 1 699 . 1 . 1 116 116 VAL HA H 1 4.687 0.006 . 1 . . 2635 . . 116 VAL HA . 50941 1 700 . 1 . 1 116 116 VAL HB H 1 1.852 0.003 . 1 . . 2634 . . 116 VAL HB . 50941 1 701 . 1 . 1 116 116 VAL C C 13 176.470 . . 1 . . 1841 . . 116 VAL C . 50941 1 702 . 1 . 1 116 116 VAL CA C 13 61.915 0.005 . 1 . . 905 . . 116 VAL CA . 50941 1 703 . 1 . 1 116 116 VAL CB C 13 32.670 0.049 . 1 . . 2256 . . 116 VAL CB . 50941 1 704 . 1 . 1 116 116 VAL CG1 C 13 21.050 . . 2 . . 2365 . . 116 VAL CG1 . 50941 1 705 . 1 . 1 116 116 VAL CG2 C 13 21.383 . . 2 . . 2366 . . 116 VAL CG2 . 50941 1 706 . 1 . 1 116 116 VAL N N 15 123.977 0.054 . 1 . . 626 . . 116 VAL N . 50941 1 707 . 1 . 1 117 117 LEU H H 1 9.232 0.005 . 1 . . 639 . . 117 LEU H . 50941 1 708 . 1 . 1 117 117 LEU HA H 1 4.826 0.002 . 1 . . 2640 . . 117 LEU HA . 50941 1 709 . 1 . 1 117 117 LEU C C 13 174.810 . . 1 . . 1664 . . 117 LEU C . 50941 1 710 . 1 . 1 117 117 LEU CA C 13 53.088 0.0 . 1 . . 1665 . . 117 LEU CA . 50941 1 711 . 1 . 1 117 117 LEU CB C 13 45.229 0.012 . 1 . . 2158 . . 117 LEU CB . 50941 1 712 . 1 . 1 117 117 LEU N N 15 128.354 0.079 . 1 . . 640 . . 117 LEU N . 50941 1 713 . 1 . 1 118 118 THR H H 1 8.531 0.009 . 1 . . 309 . . 118 THR H . 50941 1 714 . 1 . 1 118 118 THR HA H 1 5.053 0.002 . 1 . . 2549 . . 118 THR HA . 50941 1 715 . 1 . 1 118 118 THR HB H 1 3.652 0.002 . 1 . . 2550 . . 118 THR HB . 50941 1 716 . 1 . 1 118 118 THR C C 13 173.838 . . 1 . . 1226 . . 118 THR C . 50941 1 717 . 1 . 1 118 118 THR CA C 13 61.736 0.005 . 1 . . 1227 . . 118 THR CA . 50941 1 718 . 1 . 1 118 118 THR CB C 13 70.750 0.014 . 1 . . 2363 . . 118 THR CB . 50941 1 719 . 1 . 1 118 118 THR CG2 C 13 21.264 . . 1 . . 2364 . . 118 THR CG2 . 50941 1 720 . 1 . 1 118 118 THR N N 15 116.070 0.011 . 1 . . 310 . . 118 THR N . 50941 1 721 . 1 . 1 119 119 VAL H H 1 9.535 0.007 . 1 . . 339 . . 119 VAL H . 50941 1 722 . 1 . 1 119 119 VAL HA H 1 4.692 0.002 . 1 . . 2552 . . 119 VAL HA . 50941 1 723 . 1 . 1 119 119 VAL HB H 1 2.022 0.002 . 1 . . 2551 . . 119 VAL HB . 50941 1 724 . 1 . 1 119 119 VAL C C 13 174.965 . . 1 . . 808 . . 119 VAL C . 50941 1 725 . 1 . 1 119 119 VAL CA C 13 60.973 0.046 . 1 . . 809 . . 119 VAL CA . 50941 1 726 . 1 . 1 119 119 VAL CB C 13 34.041 0.076 . 1 . . 810 . . 119 VAL CB . 50941 1 727 . 1 . 1 119 119 VAL CG1 C 13 21.566 . . 2 . . 2360 . . 119 VAL CG1 . 50941 1 728 . 1 . 1 119 119 VAL CG2 C 13 21.995 . . 2 . . 2362 . . 119 VAL CG2 . 50941 1 729 . 1 . 1 119 119 VAL N N 15 128.637 0.054 . 1 . . 340 . . 119 VAL N . 50941 1 730 . 1 . 1 120 120 VAL H H 1 7.959 0.027 . 1 . . 239 . . 120 VAL H . 50941 1 731 . 1 . 1 120 120 VAL HA H 1 4.883 0.001 . 1 . . 2553 . . 120 VAL HA . 50941 1 732 . 1 . 1 120 120 VAL HB H 1 1.960 0.013 . 1 . . 2554 . . 120 VAL HB . 50941 1 733 . 1 . 1 120 120 VAL C C 13 175.585 . . 1 . . 839 . . 120 VAL C . 50941 1 734 . 1 . 1 120 120 VAL CA C 13 61.705 0.072 . 1 . . 837 . . 120 VAL CA . 50941 1 735 . 1 . 1 120 120 VAL CB C 13 32.068 0.003 . 1 . . 838 . . 120 VAL CB . 50941 1 736 . 1 . 1 120 120 VAL CG1 C 13 20.530 . . 2 . . 2359 . . 120 VAL CG1 . 50941 1 737 . 1 . 1 120 120 VAL CG2 C 13 21.244 . . 2 . . 2361 . . 120 VAL CG2 . 50941 1 738 . 1 . 1 120 120 VAL N N 15 126.616 0.047 . 1 . . 240 . . 120 VAL N . 50941 1 739 . 1 . 1 121 121 HIS H H 1 8.771 0.008 . 1 . . 822 . . 121 HIS H . 50941 1 740 . 1 . 1 121 121 HIS HA H 1 4.923 0.007 . 1 . . 2674 . . 121 HIS HA . 50941 1 741 . 1 . 1 121 121 HIS HB2 H 1 2.774 0.004 . 1 . . 2675 . . 121 HIS HB2 . 50941 1 742 . 1 . 1 121 121 HIS C C 13 174.732 . . 1 . . 827 . . 121 HIS C . 50941 1 743 . 1 . 1 121 121 HIS CA C 13 55.026 0.056 . 1 . . 824 . . 121 HIS CA . 50941 1 744 . 1 . 1 121 121 HIS CB C 13 33.016 0.059 . 1 . . 825 . . 121 HIS CB . 50941 1 745 . 1 . 1 121 121 HIS N N 15 128.215 0.143 . 1 . . 823 . . 121 HIS N . 50941 1 746 . 1 . 1 122 122 ASN H H 1 9.087 0.012 . 1 . . 735 . . 122 ASN H . 50941 1 747 . 1 . 1 122 122 ASN HA H 1 3.986 0.008 . 1 . . 2677 . . 122 ASN HA . 50941 1 748 . 1 . 1 122 122 ASN HB2 H 1 2.800 0.011 . 1 . . 2676 . . 122 ASN HB2 . 50941 1 749 . 1 . 1 122 122 ASN C C 13 174.144 . . 1 . . 2162 . . 122 ASN C . 50941 1 750 . 1 . 1 122 122 ASN CA C 13 54.027 0.016 . 1 . . 2160 . . 122 ASN CA . 50941 1 751 . 1 . 1 122 122 ASN CB C 13 36.342 0.069 . 1 . . 2161 . . 122 ASN CB . 50941 1 752 . 1 . 1 122 122 ASN N N 15 128.299 0.068 . 1 . . 736 . . 122 ASN N . 50941 1 753 . 1 . 1 123 123 ASN H H 1 8.505 0.002 . 1 . . 391 . . 123 ASN H . 50941 1 754 . 1 . 1 123 123 ASN HA H 1 3.953 0.0 . 1 . . 2557 . . 123 ASN HA . 50941 1 755 . 1 . 1 123 123 ASN HB2 H 1 2.725 0.009 . 2 . . 2555 . . 123 ASN HB2 . 50941 1 756 . 1 . 1 123 123 ASN HB3 H 1 2.860 0.003 . 2 . . 2556 . . 123 ASN HB3 . 50941 1 757 . 1 . 1 123 123 ASN C C 13 173.184 . . 1 . . 1344 . . 123 ASN C . 50941 1 758 . 1 . 1 123 123 ASN CA C 13 54.884 0.008 . 1 . . 1342 . . 123 ASN CA . 50941 1 759 . 1 . 1 123 123 ASN CB C 13 37.760 0.053 . 1 . . 1343 . . 123 ASN CB . 50941 1 760 . 1 . 1 123 123 ASN N N 15 108.704 0.093 . 1 . . 392 . . 123 ASN N . 50941 1 761 . 1 . 1 124 124 ASN H H 1 7.823 0.009 . 1 . . 89 . . 124 ASN H . 50941 1 762 . 1 . 1 124 124 ASN HA H 1 4.825 0.005 . 1 . . 2560 . . 124 ASN HA . 50941 1 763 . 1 . 1 124 124 ASN HB2 H 1 2.555 0.011 . 1 . . 2559 . . 124 ASN HB2 . 50941 1 764 . 1 . 1 124 124 ASN C C 13 172.858 . . 1 . . 1178 . . 124 ASN C . 50941 1 765 . 1 . 1 124 124 ASN CA C 13 52.307 0.033 . 1 . . 1177 . . 124 ASN CA . 50941 1 766 . 1 . 1 124 124 ASN CB C 13 41.309 0.046 . 1 . . 1176 . . 124 ASN CB . 50941 1 767 . 1 . 1 124 124 ASN N N 15 117.975 0.077 . 1 . . 90 . . 124 ASN N . 50941 1 768 . 1 . 1 125 125 ASP H H 1 8.363 0.006 . 1 . . 791 . . 125 ASP H . 50941 1 769 . 1 . 1 125 125 ASP HA H 1 4.627 0.001 . 1 . . 2562 . . 125 ASP HA . 50941 1 770 . 1 . 1 125 125 ASP HB2 H 1 2.451 0.003 . 1 . . 2561 . . 125 ASP HB2 . 50941 1 771 . 1 . 1 125 125 ASP C C 13 175.295 0.022 . 1 . . 976 . . 125 ASP C . 50941 1 772 . 1 . 1 125 125 ASP CA C 13 53.915 0.055 . 1 . . 974 . . 125 ASP CA . 50941 1 773 . 1 . 1 125 125 ASP CB C 13 40.896 0.028 . 1 . . 975 . . 125 ASP CB . 50941 1 774 . 1 . 1 125 125 ASP N N 15 122.348 0.03 . 1 . . 792 . . 125 ASP N . 50941 1 775 . 1 . 1 126 126 LEU H H 1 9.027 0.005 . 1 . . 413 . . 126 LEU H . 50941 1 776 . 1 . 1 126 126 LEU C C 13 174.890 0.008 . 1 . . 836 . . 126 LEU C . 50941 1 777 . 1 . 1 126 126 LEU CA C 13 54.378 0.053 . 1 . . 2242 . . 126 LEU CA . 50941 1 778 . 1 . 1 126 126 LEU CB C 13 41.235 . . 1 . . 2243 . . 126 LEU CB . 50941 1 779 . 1 . 1 126 126 LEU CG C 13 38.765 . . 1 . . 2357 . . 126 LEU CG . 50941 1 780 . 1 . 1 126 126 LEU N N 15 126.754 0.026 . 1 . . 414 . . 126 LEU N . 50941 1 781 . 1 . 1 127 127 GLU H H 1 7.914 0.013 . 1 . . 515 . . 127 GLU H . 50941 1 782 . 1 . 1 127 127 GLU HA H 1 4.815 0.005 . 1 . . 2565 . . 127 GLU HA . 50941 1 783 . 1 . 1 127 127 GLU HB2 H 1 1.561 0.007 . 1 . . 2563 . . 127 GLU HB2 . 50941 1 784 . 1 . 1 127 127 GLU C C 13 175.475 0.006 . 1 . . 2244 . . 127 GLU C . 50941 1 785 . 1 . 1 127 127 GLU CA C 13 55.383 0.047 . 1 . . 1000 . . 127 GLU CA . 50941 1 786 . 1 . 1 127 127 GLU CB C 13 31.564 0.037 . 1 . . 1001 . . 127 GLU CB . 50941 1 787 . 1 . 1 127 127 GLU CG C 13 36.898 . . 1 . . 2356 . . 127 GLU CG . 50941 1 788 . 1 . 1 127 127 GLU N N 15 121.925 0.015 . 1 . . 516 . . 127 GLU N . 50941 1 789 . 1 . 1 128 128 TYR H H 1 8.681 0.008 . 1 . . 621 . . 128 TYR H . 50941 1 790 . 1 . 1 128 128 TYR HA H 1 4.428 0.001 . 1 . . 2569 . . 128 TYR HA . 50941 1 791 . 1 . 1 128 128 TYR HB2 H 1 1.726 0.003 . 1 . . 2568 . . 128 TYR HB2 . 50941 1 792 . 1 . 1 128 128 TYR C C 13 173.932 . . 1 . . 959 . . 128 TYR C . 50941 1 793 . 1 . 1 128 128 TYR CA C 13 57.061 0.014 . 1 . . 961 . . 128 TYR CA . 50941 1 794 . 1 . 1 128 128 TYR CB C 13 42.525 0.066 . 1 . . 960 . . 128 TYR CB . 50941 1 795 . 1 . 1 128 128 TYR N N 15 122.796 0.026 . 1 . . 622 . . 128 TYR N . 50941 1 796 . 1 . 1 129 129 THR H H 1 9.091 0.01 . 1 . . 383 . . 129 THR H . 50941 1 797 . 1 . 1 129 129 THR HA H 1 4.830 0.006 . 1 . . 2571 . . 129 THR HA . 50941 1 798 . 1 . 1 129 129 THR HB H 1 3.746 0.004 . 1 . . 2570 . . 129 THR HB . 50941 1 799 . 1 . 1 129 129 THR C C 13 175.191 . . 1 . . 1208 . . 129 THR C . 50941 1 800 . 1 . 1 129 129 THR CA C 13 61.602 0.083 . 1 . . 1206 . . 129 THR CA . 50941 1 801 . 1 . 1 129 129 THR CB C 13 69.926 0.026 . 1 . . 2355 . . 129 THR CB . 50941 1 802 . 1 . 1 129 129 THR CG2 C 13 21.257 . . 1 . . 2354 . . 129 THR CG2 . 50941 1 803 . 1 . 1 129 129 THR N N 15 117.092 0.014 . 1 . . 384 . . 129 THR N . 50941 1 804 . 1 . 1 130 130 VAL H H 1 9.379 0.022 . 1 . . 549 . . 130 VAL H . 50941 1 805 . 1 . 1 130 130 VAL HA H 1 3.792 0.003 . 1 . . 2572 . . 130 VAL HA . 50941 1 806 . 1 . 1 130 130 VAL C C 13 175.626 . . 1 . . 830 . . 130 VAL C . 50941 1 807 . 1 . 1 130 130 VAL CA C 13 65.842 0.007 . 1 . . 1779 . . 130 VAL CA . 50941 1 808 . 1 . 1 130 130 VAL CB C 13 32.433 0.034 . 1 . . 829 . . 130 VAL CB . 50941 1 809 . 1 . 1 130 130 VAL N N 15 127.867 0.086 . 1 . . 550 . . 130 VAL N . 50941 1 810 . 1 . 1 131 131 LYS H H 1 9.790 0.003 . 1 . . 749 . . 131 LYS H . 50941 1 811 . 1 . 1 131 131 LYS C C 13 174.566 . . 1 . . 2284 . . 131 LYS C . 50941 1 812 . 1 . 1 131 131 LYS CA C 13 57.331 0.041 . 1 . . 801 . . 131 LYS CA . 50941 1 813 . 1 . 1 131 131 LYS CB C 13 34.017 0.017 . 1 . . 2314 . . 131 LYS CB . 50941 1 814 . 1 . 1 131 131 LYS N N 15 132.136 0.046 . 1 . . 750 . . 131 LYS N . 50941 1 815 . 1 . 1 132 132 SER H H 1 7.541 0.01 . 1 . . 329 . . 132 SER H . 50941 1 816 . 1 . 1 132 132 SER HA H 1 4.589 0.01 . 1 . . 2573 . . 132 SER HA . 50941 1 817 . 1 . 1 132 132 SER HB2 H 1 3.560 0.006 . 1 . . 2574 . . 132 SER HB2 . 50941 1 818 . 1 . 1 132 132 SER C C 13 170.905 . . 1 . . 1288 . . 132 SER C . 50941 1 819 . 1 . 1 132 132 SER CA C 13 57.431 0.07 . 1 . . 2315 . . 132 SER CA . 50941 1 820 . 1 . 1 132 132 SER CB C 13 66.583 0.03 . 1 . . 1286 . . 132 SER CB . 50941 1 821 . 1 . 1 132 132 SER N N 15 111.832 0.102 . 1 . . 330 . . 132 SER N . 50941 1 822 . 1 . 1 133 133 HIS H H 1 8.607 0.003 . 1 . . 275 . . 133 HIS H . 50941 1 823 . 1 . 1 133 133 HIS HA H 1 5.460 0.001 . 1 . . 2575 . . 133 HIS HA . 50941 1 824 . 1 . 1 133 133 HIS C C 13 172.899 . . 1 . . 2289 . . 133 HIS C . 50941 1 825 . 1 . 1 133 133 HIS CA C 13 54.963 0.05 . 1 . . 2287 . . 133 HIS CA . 50941 1 826 . 1 . 1 133 133 HIS CB C 13 34.281 0.013 . 1 . . 2288 . . 133 HIS CB . 50941 1 827 . 1 . 1 133 133 HIS N N 15 120.283 0.029 . 1 . . 276 . . 133 HIS N . 50941 1 828 . 1 . 1 134 134 ARG H H 1 8.334 0.009 . 1 . . 419 . . 134 ARG H . 50941 1 829 . 1 . 1 134 134 ARG HA H 1 4.239 0.007 . 1 . . 2576 . . 134 ARG HA . 50941 1 830 . 1 . 1 134 134 ARG HB2 H 1 1.632 0.014 . 1 . . 2577 . . 134 ARG HB2 . 50941 1 831 . 1 . 1 134 134 ARG C C 13 172.654 . . 1 . . 871 . . 134 ARG C . 50941 1 832 . 1 . 1 134 134 ARG CA C 13 54.303 0.024 . 1 . . 870 . . 134 ARG CA . 50941 1 833 . 1 . 1 134 134 ARG CB C 13 32.745 0.008 . 1 . . 869 . . 134 ARG CB . 50941 1 834 . 1 . 1 134 134 ARG N N 15 125.115 0.007 . 1 . . 420 . . 134 ARG N . 50941 1 835 . 1 . 1 135 135 VAL H H 1 8.398 0.002 . 1 . . 1046 . . 135 VAL H . 50941 1 836 . 1 . 1 135 135 VAL HA H 1 4.621 0.007 . 1 . . 2579 . . 135 VAL HA . 50941 1 837 . 1 . 1 135 135 VAL HB H 1 1.643 0.001 . 1 . . 2578 . . 135 VAL HB . 50941 1 838 . 1 . 1 135 135 VAL C C 13 175.562 . . 1 . . 1049 . . 135 VAL C . 50941 1 839 . 1 . 1 135 135 VAL CA C 13 60.894 0.005 . 1 . . 1048 . . 135 VAL CA . 50941 1 840 . 1 . 1 135 135 VAL CB C 13 33.014 0.004 . 1 . . 2351 . . 135 VAL CB . 50941 1 841 . 1 . 1 135 135 VAL CG1 C 13 20.602 . . 2 . . 2352 . . 135 VAL CG1 . 50941 1 842 . 1 . 1 135 135 VAL CG2 C 13 20.972 . . 2 . . 2353 . . 135 VAL CG2 . 50941 1 843 . 1 . 1 135 135 VAL N N 15 120.978 0.01 . 1 . . 1047 . . 135 VAL N . 50941 1 844 . 1 . 1 136 136 HIS H H 1 8.706 0.005 . 1 . . 53 . . 136 HIS H . 50941 1 845 . 1 . 1 136 136 HIS HA H 1 4.672 0.001 . 1 . . 2580 . . 136 HIS HA . 50941 1 846 . 1 . 1 136 136 HIS C C 13 173.921 . . 1 . . 841 . . 136 HIS C . 50941 1 847 . 1 . 1 136 136 HIS CA C 13 56.043 0.065 . 1 . . 840 . . 136 HIS CA . 50941 1 848 . 1 . 1 136 136 HIS CB C 13 32.775 0.012 . 1 . . 2316 . . 136 HIS CB . 50941 1 849 . 1 . 1 136 136 HIS N N 15 126.581 0.115 . 1 . . 54 . . 136 HIS N . 50941 1 850 . 1 . 1 137 137 LYS H H 1 9.070 0.001 . 1 . . 393 . . 137 LYS H . 50941 1 851 . 1 . 1 137 137 LYS HA H 1 3.529 0.003 . 1 . . 2581 . . 137 LYS HA . 50941 1 852 . 1 . 1 137 137 LYS C C 13 176.033 . . 1 . . 1653 . . 137 LYS C . 50941 1 853 . 1 . 1 137 137 LYS CA C 13 56.981 0.04 . 1 . . 834 . . 137 LYS CA . 50941 1 854 . 1 . 1 137 137 LYS CB C 13 29.854 0.063 . 1 . . 835 . . 137 LYS CB . 50941 1 855 . 1 . 1 137 137 LYS CG C 13 24.481 0.0 . 1 . . 2349 . . 137 LYS CG . 50941 1 856 . 1 . 1 137 137 LYS CD C 13 29.157 . . 1 . . 2350 . . 137 LYS CD . 50941 1 857 . 1 . 1 137 137 LYS N N 15 127.246 0.043 . 1 . . 394 . . 137 LYS N . 50941 1 858 . 1 . 1 138 138 GLY H H 1 8.131 0.01 . 1 . . 295 . . 138 GLY H . 50941 1 859 . 1 . 1 138 138 GLY HA2 H 1 3.376 0.013 . 2 . . 2582 . . 138 GLY HA2 . 50941 1 860 . 1 . 1 138 138 GLY HA3 H 1 3.945 0.001 . 2 . . 2583 . . 138 GLY HA3 . 50941 1 861 . 1 . 1 138 138 GLY C C 13 173.361 . . 1 . . 1351 . . 138 GLY C . 50941 1 862 . 1 . 1 138 138 GLY CA C 13 45.224 0.003 . 1 . . 2348 . . 138 GLY CA . 50941 1 863 . 1 . 1 138 138 GLY N N 15 103.550 0.014 . 1 . . 296 . . 138 GLY N . 50941 1 864 . 1 . 1 139 139 LEU H H 1 7.687 0.009 . 1 . . 717 . . 139 LEU H . 50941 1 865 . 1 . 1 139 139 LEU HA H 1 4.681 0.006 . 1 . . 2584 . . 139 LEU HA . 50941 1 866 . 1 . 1 139 139 LEU C C 13 175.208 . . 1 . . 2317 . . 139 LEU C . 50941 1 867 . 1 . 1 139 139 LEU CA C 13 53.257 0.035 . 1 . . 1028 . . 139 LEU CA . 50941 1 868 . 1 . 1 139 139 LEU CB C 13 43.874 0.004 . 1 . . 2156 . . 139 LEU CB . 50941 1 869 . 1 . 1 139 139 LEU N N 15 121.437 0.071 . 1 . . 718 . . 139 LEU N . 50941 1 870 . 1 . 1 140 140 HIS H H 1 8.784 0.002 . 1 . . 185 . . 140 HIS H . 50941 1 871 . 1 . 1 140 140 HIS HA H 1 4.607 0.005 . 1 . . 2585 . . 140 HIS HA . 50941 1 872 . 1 . 1 140 140 HIS C C 13 174.180 . . 1 . . 1136 . . 140 HIS C . 50941 1 873 . 1 . 1 140 140 HIS CA C 13 56.156 0.051 . 1 . . 1135 . . 140 HIS CA . 50941 1 874 . 1 . 1 140 140 HIS CB C 13 32.175 0.034 . 1 . . 1134 . . 140 HIS CB . 50941 1 875 . 1 . 1 140 140 HIS N N 15 119.747 0.208 . 1 . . 186 . . 140 HIS N . 50941 1 876 . 1 . 1 141 141 MET H H 1 9.365 0.001 . 1 . . 491 . . 141 MET H . 50941 1 877 . 1 . 1 141 141 MET HA H 1 5.450 0.005 . 1 . . 2586 . . 141 MET HA . 50941 1 878 . 1 . 1 141 141 MET C C 13 176.710 . . 1 . . 935 . . 141 MET C . 50941 1 879 . 1 . 1 141 141 MET CA C 13 53.213 0.012 . 1 . . 936 . . 141 MET CA . 50941 1 880 . 1 . 1 141 141 MET CB C 13 31.575 . . 1 . . 2346 . . 141 MET CB . 50941 1 881 . 1 . 1 141 141 MET CG C 13 32.595 . . 1 . . 2347 . . 141 MET CG . 50941 1 882 . 1 . 1 141 141 MET N N 15 123.340 0.065 . 1 . . 492 . . 141 MET N . 50941 1 883 . 1 . 1 142 142 LEU H H 1 8.545 0.002 . 1 . . 183 . . 142 LEU H . 50941 1 884 . 1 . 1 142 142 LEU C C 13 175.620 . . 1 . . 866 . . 142 LEU C . 50941 1 885 . 1 . 1 142 142 LEU CA C 13 53.533 0.011 . 1 . . 2345 . . 142 LEU CA . 50941 1 886 . 1 . 1 142 142 LEU N N 15 125.419 0.025 . 1 . . 184 . . 142 LEU N . 50941 1 887 . 1 . 1 143 143 THR H H 1 7.752 0.015 . 1 . . 445 . . 143 THR H . 50941 1 888 . 1 . 1 143 143 THR HA H 1 4.321 0.006 . 1 . . 2587 . . 143 THR HA . 50941 1 889 . 1 . 1 143 143 THR HB H 1 4.006 0.002 . 1 . . 2588 . . 143 THR HB . 50941 1 890 . 1 . 1 143 143 THR C C 13 174.435 . . 1 . . 1338 . . 143 THR C . 50941 1 891 . 1 . 1 143 143 THR CA C 13 60.186 0.023 . 1 . . 1336 . . 143 THR CA . 50941 1 892 . 1 . 1 143 143 THR CB C 13 71.613 0.014 . 1 . . 1337 . . 143 THR CB . 50941 1 893 . 1 . 1 143 143 THR CG2 C 13 21.311 . . 1 . . 2344 . . 143 THR CG2 . 50941 1 894 . 1 . 1 143 143 THR N N 15 108.922 0.16 . 1 . . 446 . . 143 THR N . 50941 1 895 . 1 . 1 144 144 PHE H H 1 9.537 0.004 . 1 . . 567 . . 144 PHE H . 50941 1 896 . 1 . 1 144 144 PHE HA H 1 5.660 0.003 . 1 . . 2589 . . 144 PHE HA . 50941 1 897 . 1 . 1 144 144 PHE HB2 H 1 2.595 0.002 . 1 . . 2590 . . 144 PHE HB2 . 50941 1 898 . 1 . 1 144 144 PHE C C 13 176.475 . . 1 . . 964 . . 144 PHE C . 50941 1 899 . 1 . 1 144 144 PHE CA C 13 53.913 0.032 . 1 . . 965 . . 144 PHE CA . 50941 1 900 . 1 . 1 144 144 PHE CB C 13 41.491 0.012 . 1 . . 966 . . 144 PHE CB . 50941 1 901 . 1 . 1 144 144 PHE N N 15 122.678 0.055 . 1 . . 568 . . 144 PHE N . 50941 1 902 . 1 . 1 145 145 GLU H H 1 8.922 0.007 . 1 . . 799 . . 145 GLU H . 50941 1 903 . 1 . 1 145 145 GLU HA H 1 4.062 0.005 . 1 . . 2591 . . 145 GLU HA . 50941 1 904 . 1 . 1 145 145 GLU C C 13 178.237 . . 1 . . 1004 . . 145 GLU C . 50941 1 905 . 1 . 1 145 145 GLU CA C 13 57.429 0.009 . 1 . . 1002 . . 145 GLU CA . 50941 1 906 . 1 . 1 145 145 GLU CB C 13 29.905 0.053 . 1 . . 1003 . . 145 GLU CB . 50941 1 907 . 1 . 1 145 145 GLU CG C 13 35.235 . . 1 . . 2343 . . 145 GLU CG . 50941 1 908 . 1 . 1 145 145 GLU N N 15 121.652 0.107 . 1 . . 800 . . 145 GLU N . 50941 1 909 . 1 . 1 146 146 GLY H H 1 9.001 0.011 . 1 . . 395 . . 146 GLY H . 50941 1 910 . 1 . 1 146 146 GLY HA2 H 1 4.140 0.004 . 2 . . 2592 . . 146 GLY HA2 . 50941 1 911 . 1 . 1 146 146 GLY HA3 H 1 3.708 0.007 . 2 . . 2593 . . 146 GLY HA3 . 50941 1 912 . 1 . 1 146 146 GLY C C 13 173.126 . . 1 . . 2318 . . 146 GLY C . 50941 1 913 . 1 . 1 146 146 GLY CA C 13 45.706 0.02 . 1 . . 1307 . . 146 GLY CA . 50941 1 914 . 1 . 1 146 146 GLY N N 15 112.091 0.047 . 1 . . 396 . . 146 GLY N . 50941 1 915 . 1 . 1 147 147 ILE H H 1 7.216 0.009 . 1 . . 307 . . 147 ILE H . 50941 1 916 . 1 . 1 147 147 ILE HA H 1 4.378 0.005 . 1 . . 2594 . . 147 ILE HA . 50941 1 917 . 1 . 1 147 147 ILE HB H 1 2.275 0.002 . 1 . . 2595 . . 147 ILE HB . 50941 1 918 . 1 . 1 147 147 ILE C C 13 175.770 . . 1 . . 2291 . . 147 ILE C . 50941 1 919 . 1 . 1 147 147 ILE CA C 13 58.673 0.056 . 1 . . 1111 . . 147 ILE CA . 50941 1 920 . 1 . 1 147 147 ILE CB C 13 35.983 0.059 . 1 . . 1110 . . 147 ILE CB . 50941 1 921 . 1 . 1 147 147 ILE N N 15 120.308 0.143 . 1 . . 308 . . 147 ILE N . 50941 1 922 . 1 . 1 148 148 ASN H H 1 8.891 0.002 . 1 . . 693 . . 148 ASN H . 50941 1 923 . 1 . 1 148 148 ASN HA H 1 4.971 0.005 . 1 . . 2597 . . 148 ASN HA . 50941 1 924 . 1 . 1 148 148 ASN HB2 H 1 2.718 0.003 . 1 . . 2596 . . 148 ASN HB2 . 50941 1 925 . 1 . 1 148 148 ASN C C 13 173.963 . . 1 . . 881 . . 148 ASN C . 50941 1 926 . 1 . 1 148 148 ASN CA C 13 53.078 0.031 . 1 . . 880 . . 148 ASN CA . 50941 1 927 . 1 . 1 148 148 ASN CB C 13 40.532 0.024 . 1 . . 2319 . . 148 ASN CB . 50941 1 928 . 1 . 1 148 148 ASN N N 15 124.822 0.024 . 1 . . 694 . . 148 ASN N . 50941 1 929 . 1 . 1 149 149 ASN H H 1 7.463 0.002 . 1 . . 753 . . 149 ASN H . 50941 1 930 . 1 . 1 149 149 ASN HA H 1 4.793 0.009 . 1 . . 2599 . . 149 ASN HA . 50941 1 931 . 1 . 1 149 149 ASN HB2 H 1 2.724 0.009 . 1 . . 2598 . . 149 ASN HB2 . 50941 1 932 . 1 . 1 149 149 ASN C C 13 174.936 . . 1 . . 1237 . . 149 ASN C . 50941 1 933 . 1 . 1 149 149 ASN CA C 13 52.617 0.018 . 1 . . 2342 . . 149 ASN CA . 50941 1 934 . 1 . 1 149 149 ASN CB C 13 41.731 0.063 . 1 . . 1239 . . 149 ASN CB . 50941 1 935 . 1 . 1 149 149 ASN N N 15 115.244 0.006 . 1 . . 754 . . 149 ASN N . 50941 1 936 . 1 . 1 150 150 ILE H H 1 7.646 0.015 . 1 . . 505 . . 150 ILE H . 50941 1 937 . 1 . 1 150 150 ILE HA H 1 3.743 0.007 . 1 . . 2600 . . 150 ILE HA . 50941 1 938 . 1 . 1 150 150 ILE C C 13 175.747 . . 1 . . 2321 . . 150 ILE C . 50941 1 939 . 1 . 1 150 150 ILE CA C 13 63.540 0.03 . 1 . . 2159 . . 150 ILE CA . 50941 1 940 . 1 . 1 150 150 ILE CB C 13 30.070 0.0 . 1 . . 2320 . . 150 ILE CB . 50941 1 941 . 1 . 1 150 150 ILE CG1 C 13 28.829 . . 1 . . 2340 . . 150 ILE CG1 . 50941 1 942 . 1 . 1 150 150 ILE CG2 C 13 20.251 . . 1 . . 2341 . . 150 ILE CG2 . 50941 1 943 . 1 . 1 150 150 ILE CD1 C 13 15.188 . . 1 . . 2339 . . 150 ILE CD1 . 50941 1 944 . 1 . 1 150 150 ILE N N 15 123.436 0.022 . 1 . . 506 . . 150 ILE N . 50941 1 945 . 1 . 1 151 151 ASN H H 1 8.443 0.004 . 1 . . 449 . . 151 ASN H . 50941 1 946 . 1 . 1 151 151 ASN HA H 1 4.417 0.002 . 1 . . 2602 . . 151 ASN HA . 50941 1 947 . 1 . 1 151 151 ASN HB2 H 1 2.687 0.002 . 2 . . 2601 . . 151 ASN HB2 . 50941 1 948 . 1 . 1 151 151 ASN HB3 H 1 2.627 0.0 . 2 . . 2603 . . 151 ASN HB3 . 50941 1 949 . 1 . 1 151 151 ASN C C 13 176.288 . . 1 . . 1099 . . 151 ASN C . 50941 1 950 . 1 . 1 151 151 ASN CA C 13 55.756 0.06 . 1 . . 1101 . . 151 ASN CA . 50941 1 951 . 1 . 1 151 151 ASN CB C 13 38.024 0.044 . 1 . . 1100 . . 151 ASN CB . 50941 1 952 . 1 . 1 151 151 ASN N N 15 120.160 0.011 . 1 . . 450 . . 151 ASN N . 50941 1 953 . 1 . 1 152 152 ASP H H 1 7.741 0.001 . 1 . . 325 . . 152 ASP H . 50941 1 954 . 1 . 1 152 152 ASP HA H 1 4.573 0.006 . 1 . . 2605 . . 152 ASP HA . 50941 1 955 . 1 . 1 152 152 ASP HB2 H 1 2.805 0.0 . 1 . . 2604 . . 152 ASP HB2 . 50941 1 956 . 1 . 1 152 152 ASP C C 13 176.332 0.034 . 1 . . 2327 . . 152 ASP C . 50941 1 957 . 1 . 1 152 152 ASP CA C 13 56.015 0.03 . 1 . . 2190 . . 152 ASP CA . 50941 1 958 . 1 . 1 152 152 ASP CB C 13 42.233 0.078 . 1 . . 2197 . . 152 ASP CB . 50941 1 959 . 1 . 1 152 152 ASP N N 15 116.569 0.006 . 1 . . 326 . . 152 ASP N . 50941 1 960 . 1 . 1 153 153 ILE H H 1 7.464 0.006 . 1 . . 401 . . 153 ILE H . 50941 1 961 . 1 . 1 153 153 ILE HA H 1 4.398 0.003 . 1 . . 2752 . . 153 ILE HA . 50941 1 962 . 1 . 1 153 153 ILE C C 13 176.235 0.018 . 1 . . 2751 . . 153 ILE C . 50941 1 963 . 1 . 1 153 153 ILE CA C 13 59.845 0.091 . 1 . . 1280 . . 153 ILE CA . 50941 1 964 . 1 . 1 153 153 ILE N N 15 112.822 0.057 . 1 . . 402 . . 153 ILE N . 50941 1 965 . 1 . 1 154 154 GLU H H 1 7.830 0.005 . 1 . . 1409 . . 154 GLU H . 50941 1 966 . 1 . 1 154 154 GLU HA H 1 3.564 0.001 . 1 . . 2753 . . 154 GLU HA . 50941 1 967 . 1 . 1 154 154 GLU HB2 H 1 2.003 0.001 . 1 . . 2754 . . 154 GLU HB2 . 50941 1 968 . 1 . 1 154 154 GLU C C 13 177.058 0.0 . 1 . . 1490 . . 154 GLU C . 50941 1 969 . 1 . 1 154 154 GLU CA C 13 59.483 0.125 . 1 . . 2266 . . 154 GLU CA . 50941 1 970 . 1 . 1 154 154 GLU CB C 13 29.128 0.049 . 1 . . 2750 . . 154 GLU CB . 50941 1 971 . 1 . 1 154 154 GLU N N 15 121.827 0.045 . 1 . . 1410 . . 154 GLU N . 50941 1 972 . 1 . 1 155 155 HIS H H 1 8.482 0.016 . 1 . . 563 . . 155 HIS H . 50941 1 973 . 1 . 1 155 155 HIS HA H 1 4.364 0.001 . 1 . . 2755 . . 155 HIS HA . 50941 1 974 . 1 . 1 155 155 HIS HB2 H 1 3.023 0.003 . 2 . . 2756 . . 155 HIS HB2 . 50941 1 975 . 1 . 1 155 155 HIS HB3 H 1 2.889 0.004 . 2 . . 2757 . . 155 HIS HB3 . 50941 1 976 . 1 . 1 155 155 HIS C C 13 175.252 0.032 . 1 . . 1236 . . 155 HIS C . 50941 1 977 . 1 . 1 155 155 HIS CA C 13 57.196 0.016 . 1 . . 1235 . . 155 HIS CA . 50941 1 978 . 1 . 1 155 155 HIS CB C 13 29.028 0.017 . 1 . . 1412 . . 155 HIS CB . 50941 1 979 . 1 . 1 155 155 HIS N N 15 115.532 0.029 . 1 . . 564 . . 155 HIS N . 50941 1 980 . 1 . 1 156 156 LEU H H 1 7.261 0.013 . 1 . . 343 . . 156 LEU H . 50941 1 981 . 1 . 1 156 156 LEU C C 13 177.450 . . 1 . . 1525 . . 156 LEU C . 50941 1 982 . 1 . 1 156 156 LEU CA C 13 54.433 0.046 . 1 . . 1214 . . 156 LEU CA . 50941 1 983 . 1 . 1 156 156 LEU CB C 13 41.306 0.117 . 1 . . 2748 . . 156 LEU CB . 50941 1 984 . 1 . 1 156 156 LEU N N 15 116.787 0.049 . 1 . . 344 . . 156 LEU N . 50941 1 985 . 1 . 1 157 157 LYS H H 1 7.045 0.017 . 1 . . 65 . . 157 LYS H . 50941 1 986 . 1 . 1 157 157 LYS HA H 1 3.385 0.003 . 1 . . 2606 . . 157 LYS HA . 50941 1 987 . 1 . 1 157 157 LYS HB2 H 1 1.688 0.006 . 1 . . 2607 . . 157 LYS HB2 . 50941 1 988 . 1 . 1 157 157 LYS C C 13 176.480 . . 1 . . 1152 . . 157 LYS C . 50941 1 989 . 1 . 1 157 157 LYS CA C 13 59.903 0.015 . 1 . . 1150 . . 157 LYS CA . 50941 1 990 . 1 . 1 157 157 LYS CB C 13 31.898 0.006 . 1 . . 1151 . . 157 LYS CB . 50941 1 991 . 1 . 1 157 157 LYS N N 15 119.100 0.134 . 1 . . 66 . . 157 LYS N . 50941 1 992 . 1 . 1 158 158 GLY H H 1 8.817 0.004 . 1 . . 729 . . 158 GLY H . 50941 1 993 . 1 . 1 158 158 GLY HA2 H 1 4.443 0.004 . 2 . . 2608 . . 158 GLY HA2 . 50941 1 994 . 1 . 1 158 158 GLY HA3 H 1 3.670 0.004 . 2 . . 2609 . . 158 GLY HA3 . 50941 1 995 . 1 . 1 158 158 GLY C C 13 175.230 . . 1 . . 1243 . . 158 GLY C . 50941 1 996 . 1 . 1 158 158 GLY CA C 13 45.017 0.011 . 1 . . 1242 . . 158 GLY CA . 50941 1 997 . 1 . 1 158 158 GLY N N 15 115.083 0.0 . 1 . . 730 . . 158 GLY N . 50941 1 998 . 1 . 1 159 159 SER H H 1 8.256 0.015 . 1 . . 61 . . 159 SER H . 50941 1 999 . 1 . 1 159 159 SER HA H 1 4.657 0.003 . 1 . . 2611 . . 159 SER HA . 50941 1 1000 . 1 . 1 159 159 SER HB2 H 1 3.908 0.002 . 1 . . 2610 . . 159 SER HB2 . 50941 1 1001 . 1 . 1 159 159 SER C C 13 173.507 . . 1 . . 1202 . . 159 SER C . 50941 1 1002 . 1 . 1 159 159 SER CA C 13 60.557 0.034 . 1 . . 1201 . . 159 SER CA . 50941 1 1003 . 1 . 1 159 159 SER CB C 13 64.551 0.074 . 1 . . 1536 . . 159 SER CB . 50941 1 1004 . 1 . 1 159 159 SER N N 15 117.379 0.109 . 1 . . 62 . . 159 SER N . 50941 1 1005 . 1 . 1 160 160 SER H H 1 9.206 0.018 . 1 . . 95 . . 160 SER H . 50941 1 1006 . 1 . 1 160 160 SER HA H 1 4.897 0.0 . 1 . . 2612 . . 160 SER HA . 50941 1 1007 . 1 . 1 160 160 SER HB2 H 1 3.847 0.004 . 1 . . 2613 . . 160 SER HB2 . 50941 1 1008 . 1 . 1 160 160 SER C C 13 171.477 . . 1 . . 1570 . . 160 SER C . 50941 1 1009 . 1 . 1 160 160 SER CA C 13 60.017 0.004 . 1 . . 1569 . . 160 SER CA . 50941 1 1010 . 1 . 1 160 160 SER CB C 13 65.405 0.043 . 1 . . 1118 . . 160 SER CB . 50941 1 1011 . 1 . 1 160 160 SER N N 15 119.926 0.02 . 1 . . 96 . . 160 SER N . 50941 1 1012 . 1 . 1 161 161 ILE H H 1 8.158 0.003 . 1 . . 151 . . 161 ILE H . 50941 1 1013 . 1 . 1 161 161 ILE HA H 1 4.943 0.002 . 1 . . 2614 . . 161 ILE HA . 50941 1 1014 . 1 . 1 161 161 ILE C C 13 174.003 . . 1 . . 1175 . . 161 ILE C . 50941 1 1015 . 1 . 1 161 161 ILE CA C 13 59.192 0.005 . 1 . . 1609 . . 161 ILE CA . 50941 1 1016 . 1 . 1 161 161 ILE CB C 13 41.239 0.007 . 1 . . 1174 . . 161 ILE CB . 50941 1 1017 . 1 . 1 161 161 ILE CG2 C 13 18.397 . . 1 . . 2338 . . 161 ILE CG2 . 50941 1 1018 . 1 . 1 161 161 ILE N N 15 119.107 0.003 . 1 . . 152 . . 161 ILE N . 50941 1 1019 . 1 . 1 162 162 TYR H H 1 9.622 0.005 . 1 . . 211 . . 162 TYR H . 50941 1 1020 . 1 . 1 162 162 TYR HA H 1 5.252 0.004 . 1 . . 2616 . . 162 TYR HA . 50941 1 1021 . 1 . 1 162 162 TYR HB2 H 1 2.501 0.009 . 1 . . 2615 . . 162 TYR HB2 . 50941 1 1022 . 1 . 1 162 162 TYR C C 13 174.300 . . 1 . . 876 . . 162 TYR C . 50941 1 1023 . 1 . 1 162 162 TYR CA C 13 56.685 0.016 . 1 . . 1577 . . 162 TYR CA . 50941 1 1024 . 1 . 1 162 162 TYR CB C 13 42.731 0.046 . 1 . . 875 . . 162 TYR CB . 50941 1 1025 . 1 . 1 162 162 TYR N N 15 125.069 0.025 . 1 . . 212 . . 162 TYR N . 50941 1 1026 . 1 . 1 163 163 GLN H H 1 8.819 0.005 . 1 . . 155 . . 163 GLN H . 50941 1 1027 . 1 . 1 163 163 GLN HA H 1 4.773 0.003 . 1 . . 2617 . . 163 GLN HA . 50941 1 1028 . 1 . 1 163 163 GLN HB2 H 1 1.679 0.002 . 2 . . 2618 . . 163 GLN HB2 . 50941 1 1029 . 1 . 1 163 163 GLN HB3 H 1 1.865 0.004 . 2 . . 2619 . . 163 GLN HB3 . 50941 1 1030 . 1 . 1 163 163 GLN C C 13 174.833 . . 1 . . 1184 . . 163 GLN C . 50941 1 1031 . 1 . 1 163 163 GLN CA C 13 54.275 0.032 . 1 . . 1182 . . 163 GLN CA . 50941 1 1032 . 1 . 1 163 163 GLN CB C 13 33.141 0.01 . 1 . . 1183 . . 163 GLN CB . 50941 1 1033 . 1 . 1 163 163 GLN CG C 13 34.186 . . 1 . . 2337 . . 163 GLN CG . 50941 1 1034 . 1 . 1 163 163 GLN N N 15 118.338 0.019 . 1 . . 156 . . 163 GLN N . 50941 1 1035 . 1 . 1 164 164 GLU H H 1 8.685 0.005 . 1 . . 243 . . 164 GLU H . 50941 1 1036 . 1 . 1 164 164 GLU HA H 1 4.344 0.012 . 1 . . 2622 . . 164 GLU HA . 50941 1 1037 . 1 . 1 164 164 GLU HB2 H 1 1.870 0.009 . 1 . . 2620 . . 164 GLU HB2 . 50941 1 1038 . 1 . 1 164 164 GLU C C 13 176.327 . . 1 . . 897 . . 164 GLU C . 50941 1 1039 . 1 . 1 164 164 GLU CA C 13 56.714 0.02 . 1 . . 895 . . 164 GLU CA . 50941 1 1040 . 1 . 1 164 164 GLU CB C 13 29.906 0.008 . 1 . . 2080 . . 164 GLU CB . 50941 1 1041 . 1 . 1 164 164 GLU CG C 13 36.110 . . 1 . . 2336 . . 164 GLU CG . 50941 1 1042 . 1 . 1 164 164 GLU N N 15 124.232 0.026 . 1 . . 244 . . 164 GLU N . 50941 1 1043 . 1 . 1 165 165 ARG H H 1 8.224 0.002 . 1 . . 1378 . . 165 ARG H . 50941 1 1044 . 1 . 1 165 165 ARG HA H 1 4.203 0.001 . 1 . . 2624 . . 165 ARG HA . 50941 1 1045 . 1 . 1 165 165 ARG HB2 H 1 1.674 0.002 . 1 . . 2623 . . 165 ARG HB2 . 50941 1 1046 . 1 . 1 165 165 ARG C C 13 175.925 . . 1 . . 2007 . . 165 ARG C . 50941 1 1047 . 1 . 1 165 165 ARG CA C 13 56.114 0.045 . 1 . . 2006 . . 165 ARG CA . 50941 1 1048 . 1 . 1 165 165 ARG CB C 13 30.895 0.014 . 1 . . 1380 . . 165 ARG CB . 50941 1 1049 . 1 . 1 165 165 ARG CG C 13 26.925 . . 1 . . 2334 . . 165 ARG CG . 50941 1 1050 . 1 . 1 165 165 ARG CD C 13 43.057 . . 1 . . 2335 . . 165 ARG CD . 50941 1 1051 . 1 . 1 165 165 ARG N N 15 121.493 0.035 . 1 . . 1379 . . 165 ARG N . 50941 1 1052 . 1 . 1 166 166 ASP H H 1 8.276 0.003 . 1 . . 1059 . . 166 ASP H . 50941 1 1053 . 1 . 1 166 166 ASP HA H 1 4.417 0.003 . 1 . . 2626 . . 166 ASP HA . 50941 1 1054 . 1 . 1 166 166 ASP HB2 H 1 2.510 0.002 . 1 . . 2625 . . 166 ASP HB2 . 50941 1 1055 . 1 . 1 166 166 ASP C C 13 175.970 . . 1 . . 2322 . . 166 ASP C . 50941 1 1056 . 1 . 1 166 166 ASP CA C 13 54.523 0.01 . 1 . . 1061 . . 166 ASP CA . 50941 1 1057 . 1 . 1 166 166 ASP CB C 13 41.003 0.052 . 1 . . 1062 . . 166 ASP CB . 50941 1 1058 . 1 . 1 166 166 ASP N N 15 120.817 0.003 . 1 . . 1060 . . 166 ASP N . 50941 1 1059 . 1 . 1 167 167 HIS H H 1 8.201 0.004 . 1 . . 1170 . . 167 HIS H . 50941 1 1060 . 1 . 1 167 167 HIS C C 13 175.291 . . 1 . . 2075 . . 167 HIS C . 50941 1 1061 . 1 . 1 167 167 HIS CA C 13 55.509 . . 1 . . 2073 . . 167 HIS CA . 50941 1 1062 . 1 . 1 167 167 HIS CB C 13 29.664 . . 1 . . 2074 . . 167 HIS CB . 50941 1 1063 . 1 . 1 167 167 HIS N N 15 118.533 0.109 . 1 . . 1171 . . 167 HIS N . 50941 1 1064 . 1 . 1 168 168 GLU H H 1 8.282 0.004 . 1 . . 1368 . . 168 GLU H . 50941 1 1065 . 1 . 1 168 168 GLU C C 13 175.337 . . 1 . . 2325 . . 168 GLU C . 50941 1 1066 . 1 . 1 168 168 GLU CA C 13 56.715 0.018 . 1 . . 1370 . . 168 GLU CA . 50941 1 1067 . 1 . 1 168 168 GLU CB C 13 30.218 0.003 . 1 . . 2153 . . 168 GLU CB . 50941 1 1068 . 1 . 1 168 168 GLU CG C 13 36.076 . . 1 . . 2333 . . 168 GLU CG . 50941 1 1069 . 1 . 1 168 168 GLU N N 15 122.443 0.073 . 1 . . 1369 . . 168 GLU N . 50941 1 1070 . 1 . 1 169 169 ASP H H 1 8.358 0.006 . 1 . . 615 . . 169 ASP H . 50941 1 1071 . 1 . 1 169 169 ASP C C 13 176.035 . . 1 . . 2324 . . 169 ASP C . 50941 1 1072 . 1 . 1 169 169 ASP CA C 13 54.491 0.0 . 1 . . 2011 . . 169 ASP CA . 50941 1 1073 . 1 . 1 169 169 ASP CB C 13 41.042 . . 1 . . 2009 . . 169 ASP CB . 50941 1 1074 . 1 . 1 169 169 ASP N N 15 121.512 0.006 . 1 . . 616 . . 169 ASP N . 50941 1 1075 . 1 . 1 170 170 ILE H H 1 7.882 0.018 . 1 . . 1063 . . 170 ILE H . 50941 1 1076 . 1 . 1 170 170 ILE HA H 1 3.969 0.004 . 1 . . 2628 . . 170 ILE HA . 50941 1 1077 . 1 . 1 170 170 ILE HB H 1 1.726 0.004 . 1 . . 2627 . . 170 ILE HB . 50941 1 1078 . 1 . 1 170 170 ILE C C 13 176.022 . . 1 . . 2326 . . 170 ILE C . 50941 1 1079 . 1 . 1 170 170 ILE CA C 13 61.505 0.021 . 1 . . 1066 . . 170 ILE CA . 50941 1 1080 . 1 . 1 170 170 ILE CB C 13 38.591 0.007 . 1 . . 1065 . . 170 ILE CB . 50941 1 1081 . 1 . 1 170 170 ILE CG1 C 13 27.185 . . 1 . . 2332 . . 170 ILE CG1 . 50941 1 1082 . 1 . 1 170 170 ILE CG2 C 13 17.416 . . 1 . . 2330 . . 170 ILE CG2 . 50941 1 1083 . 1 . 1 170 170 ILE CD1 C 13 13.107 . . 1 . . 2331 . . 170 ILE CD1 . 50941 1 1084 . 1 . 1 170 170 ILE N N 15 120.815 0.049 . 1 . . 1064 . . 170 ILE N . 50941 1 1085 . 1 . 1 171 171 VAL H H 1 8.013 0.005 . 1 . . 908 . . 171 VAL H . 50941 1 1086 . 1 . 1 171 171 VAL HA H 1 3.906 0.004 . 1 . . 2630 . . 171 VAL HA . 50941 1 1087 . 1 . 1 171 171 VAL HB H 1 1.895 0.002 . 1 . . 2631 . . 171 VAL HB . 50941 1 1088 . 1 . 1 171 171 VAL C C 13 175.811 . . 1 . . 913 . . 171 VAL C . 50941 1 1089 . 1 . 1 171 171 VAL CA C 13 62.558 0.031 . 1 . . 911 . . 171 VAL CA . 50941 1 1090 . 1 . 1 171 171 VAL CB C 13 32.461 0.004 . 1 . . 910 . . 171 VAL CB . 50941 1 1091 . 1 . 1 171 171 VAL CG1 C 13 20.919 . . 2 . . 2328 . . 171 VAL CG1 . 50941 1 1092 . 1 . 1 171 171 VAL CG2 C 13 20.343 . . 2 . . 2329 . . 171 VAL CG2 . 50941 1 1093 . 1 . 1 171 171 VAL N N 15 123.946 0.097 . 1 . . 909 . . 171 VAL N . 50941 1 1094 . 1 . 1 172 172 LEU H H 1 8.154 0.013 . 1 . . 297 . . 172 LEU H . 50941 1 1095 . 1 . 1 172 172 LEU HA H 1 4.211 0.001 . 1 . . 2633 . . 172 LEU HA . 50941 1 1096 . 1 . 1 172 172 LEU HB2 H 1 1.486 0.003 . 1 . . 2632 . . 172 LEU HB2 . 50941 1 1097 . 1 . 1 172 172 LEU C C 13 176.920 . . 1 . . 858 . . 172 LEU C . 50941 1 1098 . 1 . 1 172 172 LEU CA C 13 54.937 0.028 . 1 . . 860 . . 172 LEU CA . 50941 1 1099 . 1 . 1 172 172 LEU CB C 13 42.067 0.029 . 1 . . 859 . . 172 LEU CB . 50941 1 1100 . 1 . 1 172 172 LEU N N 15 125.760 0.091 . 1 . . 298 . . 172 LEU N . 50941 1 stop_ save_