data_50422 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50422 _Entry.Title ; Resonance assignment of SARS-CoV-2 macro domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-08-04 _Entry.Accession_date 2020-08-04 _Entry.Last_release_date 2020-08-04 _Entry.Original_release_date 2020-08-04 _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 . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Meng-Hsuan Lin . . . . 50422 2 Yi-Ping Huang . . . . 50422 3 Chi-Fon Chang . . . . 50422 4 Chun-Hua Hsu . . . . 50422 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50422 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 678 50422 '15N chemical shifts' 168 50422 '1H chemical shifts' 1049 50422 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 . . 2021-04-13 . original BMRB . 50422 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50422 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33486617 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR assignments of the macro domain from severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 1 _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 137 _Citation.Page_last 142 _Citation.Year 2021 _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 Meng-Hsuan Lin . . . . 50422 1 2 Yi-Ping Huang . . . . 50422 1 3 Chi-Fon Chang . . . . 50422 1 4 Chun-Hua Hsu . . . . 50422 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50422 _Assembly.ID 1 _Assembly.Name 'MERS-CoV macro domain' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'SARS-CoV-2 macro domain, 1' 1 $entity_1 . . yes native no no . . . 50422 1 2 'SARS-CoV-2 macro domain, 2' 1 $entity_1 . . yes native no no . . . 50422 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50422 _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 ; GSHMVNSFSGYLKLTDNVYI KNADIVEEAKKVKPTVVVNA ANVYLKHGGGVAGALNKATN NAMQVESDDYIATNGPLKVG GSCVLSGHNLAKHCLHVVGP NVNKGEDIQLLKSAYENFNQ HEVLLAPLLSAGIFGADPIH SLRVCVDTVRTNVYLAVFDK NLYDKLVSSFLEMKS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues -3-0 represent extra residues' _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 175 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 -3 GLY . 50422 1 2 -2 SER . 50422 1 3 -1 HIS . 50422 1 4 0 MET . 50422 1 5 1 VAL . 50422 1 6 2 ASN . 50422 1 7 3 SER . 50422 1 8 4 PHE . 50422 1 9 5 SER . 50422 1 10 6 GLY . 50422 1 11 7 TYR . 50422 1 12 8 LEU . 50422 1 13 9 LYS . 50422 1 14 10 LEU . 50422 1 15 11 THR . 50422 1 16 12 ASP . 50422 1 17 13 ASN . 50422 1 18 14 VAL . 50422 1 19 15 TYR . 50422 1 20 16 ILE . 50422 1 21 17 LYS . 50422 1 22 18 ASN . 50422 1 23 19 ALA . 50422 1 24 20 ASP . 50422 1 25 21 ILE . 50422 1 26 22 VAL . 50422 1 27 23 GLU . 50422 1 28 24 GLU . 50422 1 29 25 ALA . 50422 1 30 26 LYS . 50422 1 31 27 LYS . 50422 1 32 28 VAL . 50422 1 33 29 LYS . 50422 1 34 30 PRO . 50422 1 35 31 THR . 50422 1 36 32 VAL . 50422 1 37 33 VAL . 50422 1 38 34 VAL . 50422 1 39 35 ASN . 50422 1 40 36 ALA . 50422 1 41 37 ALA . 50422 1 42 38 ASN . 50422 1 43 39 VAL . 50422 1 44 40 TYR . 50422 1 45 41 LEU . 50422 1 46 42 LYS . 50422 1 47 43 HIS . 50422 1 48 44 GLY . 50422 1 49 45 GLY . 50422 1 50 46 GLY . 50422 1 51 47 VAL . 50422 1 52 48 ALA . 50422 1 53 49 GLY . 50422 1 54 50 ALA . 50422 1 55 51 LEU . 50422 1 56 52 ASN . 50422 1 57 53 LYS . 50422 1 58 54 ALA . 50422 1 59 55 THR . 50422 1 60 56 ASN . 50422 1 61 57 ASN . 50422 1 62 58 ALA . 50422 1 63 59 MET . 50422 1 64 60 GLN . 50422 1 65 61 VAL . 50422 1 66 62 GLU . 50422 1 67 63 SER . 50422 1 68 64 ASP . 50422 1 69 65 ASP . 50422 1 70 66 TYR . 50422 1 71 67 ILE . 50422 1 72 68 ALA . 50422 1 73 69 THR . 50422 1 74 70 ASN . 50422 1 75 71 GLY . 50422 1 76 72 PRO . 50422 1 77 73 LEU . 50422 1 78 74 LYS . 50422 1 79 75 VAL . 50422 1 80 76 GLY . 50422 1 81 77 GLY . 50422 1 82 78 SER . 50422 1 83 79 CYS . 50422 1 84 80 VAL . 50422 1 85 81 LEU . 50422 1 86 82 SER . 50422 1 87 83 GLY . 50422 1 88 84 HIS . 50422 1 89 85 ASN . 50422 1 90 86 LEU . 50422 1 91 87 ALA . 50422 1 92 88 LYS . 50422 1 93 89 HIS . 50422 1 94 90 CYS . 50422 1 95 91 LEU . 50422 1 96 92 HIS . 50422 1 97 93 VAL . 50422 1 98 94 VAL . 50422 1 99 95 GLY . 50422 1 100 96 PRO . 50422 1 101 97 ASN . 50422 1 102 98 VAL . 50422 1 103 99 ASN . 50422 1 104 100 LYS . 50422 1 105 101 GLY . 50422 1 106 102 GLU . 50422 1 107 103 ASP . 50422 1 108 104 ILE . 50422 1 109 105 GLN . 50422 1 110 106 LEU . 50422 1 111 107 LEU . 50422 1 112 108 LYS . 50422 1 113 109 SER . 50422 1 114 110 ALA . 50422 1 115 111 TYR . 50422 1 116 112 GLU . 50422 1 117 113 ASN . 50422 1 118 114 PHE . 50422 1 119 115 ASN . 50422 1 120 116 GLN . 50422 1 121 117 HIS . 50422 1 122 118 GLU . 50422 1 123 119 VAL . 50422 1 124 120 LEU . 50422 1 125 121 LEU . 50422 1 126 122 ALA . 50422 1 127 123 PRO . 50422 1 128 124 LEU . 50422 1 129 125 LEU . 50422 1 130 126 SER . 50422 1 131 127 ALA . 50422 1 132 128 GLY . 50422 1 133 129 ILE . 50422 1 134 130 PHE . 50422 1 135 131 GLY . 50422 1 136 132 ALA . 50422 1 137 133 ASP . 50422 1 138 134 PRO . 50422 1 139 135 ILE . 50422 1 140 136 HIS . 50422 1 141 137 SER . 50422 1 142 138 LEU . 50422 1 143 139 ARG . 50422 1 144 140 VAL . 50422 1 145 141 CYS . 50422 1 146 142 VAL . 50422 1 147 143 ASP . 50422 1 148 144 THR . 50422 1 149 145 VAL . 50422 1 150 146 ARG . 50422 1 151 147 THR . 50422 1 152 148 ASN . 50422 1 153 149 VAL . 50422 1 154 150 TYR . 50422 1 155 151 LEU . 50422 1 156 152 ALA . 50422 1 157 153 VAL . 50422 1 158 154 PHE . 50422 1 159 155 ASP . 50422 1 160 156 LYS . 50422 1 161 157 ASN . 50422 1 162 158 LEU . 50422 1 163 159 TYR . 50422 1 164 160 ASP . 50422 1 165 161 LYS . 50422 1 166 162 LEU . 50422 1 167 163 VAL . 50422 1 168 164 SER . 50422 1 169 165 SER . 50422 1 170 166 PHE . 50422 1 171 167 LEU . 50422 1 172 168 GLU . 50422 1 173 169 MET . 50422 1 174 170 LYS . 50422 1 175 171 SER . 50422 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 50422 1 . SER 2 2 50422 1 . HIS 3 3 50422 1 . MET 4 4 50422 1 . VAL 5 5 50422 1 . ASN 6 6 50422 1 . SER 7 7 50422 1 . PHE 8 8 50422 1 . SER 9 9 50422 1 . GLY 10 10 50422 1 . TYR 11 11 50422 1 . LEU 12 12 50422 1 . LYS 13 13 50422 1 . LEU 14 14 50422 1 . THR 15 15 50422 1 . ASP 16 16 50422 1 . ASN 17 17 50422 1 . VAL 18 18 50422 1 . TYR 19 19 50422 1 . ILE 20 20 50422 1 . LYS 21 21 50422 1 . ASN 22 22 50422 1 . ALA 23 23 50422 1 . ASP 24 24 50422 1 . ILE 25 25 50422 1 . VAL 26 26 50422 1 . GLU 27 27 50422 1 . GLU 28 28 50422 1 . ALA 29 29 50422 1 . LYS 30 30 50422 1 . LYS 31 31 50422 1 . VAL 32 32 50422 1 . LYS 33 33 50422 1 . PRO 34 34 50422 1 . THR 35 35 50422 1 . VAL 36 36 50422 1 . VAL 37 37 50422 1 . VAL 38 38 50422 1 . ASN 39 39 50422 1 . ALA 40 40 50422 1 . ALA 41 41 50422 1 . ASN 42 42 50422 1 . VAL 43 43 50422 1 . TYR 44 44 50422 1 . LEU 45 45 50422 1 . LYS 46 46 50422 1 . HIS 47 47 50422 1 . GLY 48 48 50422 1 . GLY 49 49 50422 1 . GLY 50 50 50422 1 . VAL 51 51 50422 1 . ALA 52 52 50422 1 . GLY 53 53 50422 1 . ALA 54 54 50422 1 . LEU 55 55 50422 1 . ASN 56 56 50422 1 . LYS 57 57 50422 1 . ALA 58 58 50422 1 . THR 59 59 50422 1 . ASN 60 60 50422 1 . ASN 61 61 50422 1 . ALA 62 62 50422 1 . MET 63 63 50422 1 . GLN 64 64 50422 1 . VAL 65 65 50422 1 . GLU 66 66 50422 1 . SER 67 67 50422 1 . ASP 68 68 50422 1 . ASP 69 69 50422 1 . TYR 70 70 50422 1 . ILE 71 71 50422 1 . ALA 72 72 50422 1 . THR 73 73 50422 1 . ASN 74 74 50422 1 . GLY 75 75 50422 1 . PRO 76 76 50422 1 . LEU 77 77 50422 1 . LYS 78 78 50422 1 . VAL 79 79 50422 1 . GLY 80 80 50422 1 . GLY 81 81 50422 1 . SER 82 82 50422 1 . CYS 83 83 50422 1 . VAL 84 84 50422 1 . LEU 85 85 50422 1 . SER 86 86 50422 1 . GLY 87 87 50422 1 . HIS 88 88 50422 1 . ASN 89 89 50422 1 . LEU 90 90 50422 1 . ALA 91 91 50422 1 . LYS 92 92 50422 1 . HIS 93 93 50422 1 . CYS 94 94 50422 1 . LEU 95 95 50422 1 . HIS 96 96 50422 1 . VAL 97 97 50422 1 . VAL 98 98 50422 1 . GLY 99 99 50422 1 . PRO 100 100 50422 1 . ASN 101 101 50422 1 . VAL 102 102 50422 1 . ASN 103 103 50422 1 . LYS 104 104 50422 1 . GLY 105 105 50422 1 . GLU 106 106 50422 1 . ASP 107 107 50422 1 . ILE 108 108 50422 1 . GLN 109 109 50422 1 . LEU 110 110 50422 1 . LEU 111 111 50422 1 . LYS 112 112 50422 1 . SER 113 113 50422 1 . ALA 114 114 50422 1 . TYR 115 115 50422 1 . GLU 116 116 50422 1 . ASN 117 117 50422 1 . PHE 118 118 50422 1 . ASN 119 119 50422 1 . GLN 120 120 50422 1 . HIS 121 121 50422 1 . GLU 122 122 50422 1 . VAL 123 123 50422 1 . LEU 124 124 50422 1 . LEU 125 125 50422 1 . ALA 126 126 50422 1 . PRO 127 127 50422 1 . LEU 128 128 50422 1 . LEU 129 129 50422 1 . SER 130 130 50422 1 . ALA 131 131 50422 1 . GLY 132 132 50422 1 . ILE 133 133 50422 1 . PHE 134 134 50422 1 . GLY 135 135 50422 1 . ALA 136 136 50422 1 . ASP 137 137 50422 1 . PRO 138 138 50422 1 . ILE 139 139 50422 1 . HIS 140 140 50422 1 . SER 141 141 50422 1 . LEU 142 142 50422 1 . ARG 143 143 50422 1 . VAL 144 144 50422 1 . CYS 145 145 50422 1 . VAL 146 146 50422 1 . ASP 147 147 50422 1 . THR 148 148 50422 1 . VAL 149 149 50422 1 . ARG 150 150 50422 1 . THR 151 151 50422 1 . ASN 152 152 50422 1 . VAL 153 153 50422 1 . TYR 154 154 50422 1 . LEU 155 155 50422 1 . ALA 156 156 50422 1 . VAL 157 157 50422 1 . PHE 158 158 50422 1 . ASP 159 159 50422 1 . LYS 160 160 50422 1 . ASN 161 161 50422 1 . LEU 162 162 50422 1 . TYR 163 163 50422 1 . ASP 164 164 50422 1 . LYS 165 165 50422 1 . LEU 166 166 50422 1 . VAL 167 167 50422 1 . SER 168 168 50422 1 . SER 169 169 50422 1 . PHE 170 170 50422 1 . LEU 171 171 50422 1 . GLU 172 172 50422 1 . MET 173 173 50422 1 . LYS 174 174 50422 1 . SER 175 175 50422 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 50422 _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 . 2697049 organism . 'Severe acute respiratory syndrome coronavirus 2' SARS-CoV-2 . . Viruses . Betacoronavirus HCoV-SARS SARS-CoV-2 . . . . . . . . . . . . 50422 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 50422 _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 . . pET28a . . . 50422 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50422 _Sample.ID 1 _Sample.Name 'sample 1' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SARS-CoV-2 macro domain' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.1 . . mM . . . . 50422 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 50422 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 50422 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50422 1 5 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 50422 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50422 _Sample.ID 2 _Sample.Name 'sample 2' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'SARS-CoV-2 macro domain' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.1 . . mM . . . . 50422 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 50422 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50422 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'sample conditions 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' 100 . mM 50422 1 pH 6.0 . pH 50422 1 pressure 1 . atm 50422 1 temperature 298 . K 50422 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50422 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50422 1 processing . 50422 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50422 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50422 2 'peak picking' . 50422 2 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 50422 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'spectrometer 1' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50422 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'spectrometer 2' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 50422 _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 . . . . . . . . . . . . . . . . . 50422 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50422 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50422 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50422 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50422 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50422 1 7 '3D HCCH-COSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50422 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50422 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50422 1 10 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50422 1 11 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50422 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 50422 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'chemical shift reference 1' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 na 'methyl carbon' . . . . ppm 0 na indirect 1 . . . . . 50422 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 50422 1 N 15 na nitrogen . . . . ppm 0 na indirect 1 . . . . . 50422 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 50422 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'assigned chem shift list 1' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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' . . . 50422 1 2 '3D CBCA(CO)NH' . . . 50422 1 3 '3D HNCO' . . . 50422 1 4 '3D HNCACB' . . . 50422 1 5 '3D HBHA(CO)NH' . . . 50422 1 6 '3D 1H-15N NOESY' . . . 50422 1 7 '3D HCCH-COSY' . . . 50422 1 8 '2D 1H-13C HSQC' . . . 50422 1 10 '3D H(CCO)NH' . . . 50422 1 11 '3D HN(CA)CO' . . . 50422 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 2 $software_2 . . 50422 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 2 2 SER HA H 1 4.468 0.004 . . . . . . . -2 SER HA . 50422 1 2 . 1 . 1 2 2 SER HB2 H 1 3.817 0.006 . . . . . . . -2 SER QB . 50422 1 3 . 1 . 1 2 2 SER HB3 H 1 3.817 0.006 . . . . . . . -2 SER QB . 50422 1 4 . 1 . 1 2 2 SER C C 13 174.309 0 . . . . . . . -2 SER C . 50422 1 5 . 1 . 1 2 2 SER CA C 13 58.399 0 . . . . . . . -2 SER CA . 50422 1 6 . 1 . 1 2 2 SER CB C 13 64.15 0 . . . . . . . -2 SER CB . 50422 1 7 . 1 . 1 3 3 HIS H H 1 8.65 0.001 . . . . . . . -1 HIS H . 50422 1 8 . 1 . 1 3 3 HIS HA H 1 4.719 0.004 . . . . . . . -1 HIS HA . 50422 1 9 . 1 . 1 3 3 HIS HB2 H 1 3.115 0.014 . . . . . . . -1 HIS HB2 . 50422 1 10 . 1 . 1 3 3 HIS HB3 H 1 3.246 0.002 . . . . . . . -1 HIS HB3 . 50422 1 11 . 1 . 1 3 3 HIS C C 13 174.374 0 . . . . . . . -1 HIS C . 50422 1 12 . 1 . 1 3 3 HIS CA C 13 55.628 0 . . . . . . . -1 HIS CA . 50422 1 13 . 1 . 1 3 3 HIS CB C 13 29.325 0 . . . . . . . -1 HIS CB . 50422 1 14 . 1 . 1 3 3 HIS N N 15 120.931 0.016 . . . . . . . -1 HIS N . 50422 1 15 . 1 . 1 4 4 MET H H 1 8.41 0.001 . . . . . . . 0 MET H . 50422 1 16 . 1 . 1 4 4 MET HA H 1 4.463 0 . . . . . . . 0 MET HA . 50422 1 17 . 1 . 1 4 4 MET HB2 H 1 1.968 0.016 . . . . . . . 0 MET QB . 50422 1 18 . 1 . 1 4 4 MET HB3 H 1 1.968 0.016 . . . . . . . 0 MET QB . 50422 1 19 . 1 . 1 4 4 MET HG2 H 1 2.526 0 . . . . . . . 0 MET QG . 50422 1 20 . 1 . 1 4 4 MET HG3 H 1 2.526 0 . . . . . . . 0 MET QG . 50422 1 21 . 1 . 1 4 4 MET C C 13 175.801 0 . . . . . . . 0 MET C . 50422 1 22 . 1 . 1 4 4 MET CA C 13 55.678 0 . . . . . . . 0 MET CA . 50422 1 23 . 1 . 1 4 4 MET CB C 13 32.845 0 . . . . . . . 0 MET CB . 50422 1 24 . 1 . 1 4 4 MET CG C 13 32.266 0 . . . . . . . 0 MET CG . 50422 1 25 . 1 . 1 4 4 MET N N 15 122.013 0.007 . . . . . . . 0 MET N . 50422 1 26 . 1 . 1 5 5 VAL H H 1 7.946 0 . . . . . . . 1 VAL H . 50422 1 27 . 1 . 1 5 5 VAL HA H 1 4.349 0 . . . . . . . 1 VAL HA . 50422 1 28 . 1 . 1 5 5 VAL HB H 1 2.094 0.015 . . . . . . . 1 VAL HB . 50422 1 29 . 1 . 1 5 5 VAL HG11 H 1 0.872 0 . . . . . . . 1 VAL QG1 . 50422 1 30 . 1 . 1 5 5 VAL HG12 H 1 0.872 0 . . . . . . . 1 VAL QG1 . 50422 1 31 . 1 . 1 5 5 VAL HG13 H 1 0.872 0 . . . . . . . 1 VAL QG1 . 50422 1 32 . 1 . 1 5 5 VAL HG21 H 1 0.871 0 . . . . . . . 1 VAL QG2 . 50422 1 33 . 1 . 1 5 5 VAL HG22 H 1 0.871 0 . . . . . . . 1 VAL QG2 . 50422 1 34 . 1 . 1 5 5 VAL HG23 H 1 0.871 0 . . . . . . . 1 VAL QG2 . 50422 1 35 . 1 . 1 5 5 VAL C C 13 175.666 0 . . . . . . . 1 VAL C . 50422 1 36 . 1 . 1 5 5 VAL CA C 13 61.444 0 . . . . . . . 1 VAL CA . 50422 1 37 . 1 . 1 5 5 VAL CB C 13 33.183 0.019 . . . . . . . 1 VAL CB . 50422 1 38 . 1 . 1 5 5 VAL CG1 C 13 19.865 0.018 . . . . . . . 1 VAL CG1 . 50422 1 39 . 1 . 1 5 5 VAL CG2 C 13 20.85 0 . . . . . . . 1 VAL CG2 . 50422 1 40 . 1 . 1 5 5 VAL N N 15 119.228 0.008 . . . . . . . 1 VAL N . 50422 1 41 . 1 . 1 6 6 ASN H H 1 8.25 0.001 . . . . . . . 2 ASN H . 50422 1 42 . 1 . 1 6 6 ASN HA H 1 3.909 0.017 . . . . . . . 2 ASN HA . 50422 1 43 . 1 . 1 6 6 ASN HB2 H 1 2.877 0 . . . . . . . 2 ASN HB2 . 50422 1 44 . 1 . 1 6 6 ASN HB3 H 1 2.839 0 . . . . . . . 2 ASN HB3 . 50422 1 45 . 1 . 1 6 6 ASN C C 13 174.816 0 . . . . . . . 2 ASN C . 50422 1 46 . 1 . 1 6 6 ASN CA C 13 53.829 0 . . . . . . . 2 ASN CA . 50422 1 47 . 1 . 1 6 6 ASN CB C 13 37.686 0 . . . . . . . 2 ASN CB . 50422 1 48 . 1 . 1 6 6 ASN N N 15 119.613 0.018 . . . . . . . 2 ASN N . 50422 1 49 . 1 . 1 7 7 SER H H 1 8.307 0.001 . . . . . . . 3 SER H . 50422 1 50 . 1 . 1 7 7 SER HA H 1 4.366 0.004 . . . . . . . 3 SER HA . 50422 1 51 . 1 . 1 7 7 SER HB2 H 1 3.568 0 . . . . . . . 3 SER HB2 . 50422 1 52 . 1 . 1 7 7 SER HB3 H 1 3.723 0 . . . . . . . 3 SER HB3 . 50422 1 53 . 1 . 1 7 7 SER C C 13 173.899 0 . . . . . . . 3 SER C . 50422 1 54 . 1 . 1 7 7 SER CA C 13 56.941 0 . . . . . . . 3 SER CA . 50422 1 55 . 1 . 1 7 7 SER CB C 13 62.598 0 . . . . . . . 3 SER CB . 50422 1 56 . 1 . 1 7 7 SER N N 15 115.763 0.009 . . . . . . . 3 SER N . 50422 1 57 . 1 . 1 8 8 PHE H H 1 7.472 0.001 . . . . . . . 4 PHE H . 50422 1 58 . 1 . 1 8 8 PHE HA H 1 4.291 0 . . . . . . . 4 PHE HA . 50422 1 59 . 1 . 1 8 8 PHE HB2 H 1 3.27 0 . . . . . . . 4 PHE HB2 . 50422 1 60 . 1 . 1 8 8 PHE HB3 H 1 2.382 0 . . . . . . . 4 PHE HB3 . 50422 1 61 . 1 . 1 8 8 PHE C C 13 176.534 0 . . . . . . . 4 PHE C . 50422 1 62 . 1 . 1 8 8 PHE CA C 13 58.792 0 . . . . . . . 4 PHE CA . 50422 1 63 . 1 . 1 8 8 PHE CB C 13 39.528 0 . . . . . . . 4 PHE CB . 50422 1 64 . 1 . 1 8 8 PHE N N 15 122.329 0.015 . . . . . . . 4 PHE N . 50422 1 65 . 1 . 1 9 9 SER H H 1 9.528 0.001 . . . . . . . 5 SER H . 50422 1 66 . 1 . 1 9 9 SER HA H 1 4.968 0.007 . . . . . . . 5 SER HA . 50422 1 67 . 1 . 1 9 9 SER HB2 H 1 3.797 0.002 . . . . . . . 5 SER QB . 50422 1 68 . 1 . 1 9 9 SER HB3 H 1 3.797 0.002 . . . . . . . 5 SER QB . 50422 1 69 . 1 . 1 9 9 SER C C 13 174.138 0 . . . . . . . 5 SER C . 50422 1 70 . 1 . 1 9 9 SER CA C 13 58.102 0 . . . . . . . 5 SER CA . 50422 1 71 . 1 . 1 9 9 SER CB C 13 65.418 0 . . . . . . . 5 SER CB . 50422 1 72 . 1 . 1 9 9 SER N N 15 119.467 0.005 . . . . . . . 5 SER N . 50422 1 73 . 1 . 1 10 10 GLY H H 1 9.036 0.004 . . . . . . . 6 GLY H . 50422 1 74 . 1 . 1 10 10 GLY HA2 H 1 4.437 0 . . . . . . . 6 GLY HA2 . 50422 1 75 . 1 . 1 10 10 GLY HA3 H 1 3.961 0 . . . . . . . 6 GLY HA3 . 50422 1 76 . 1 . 1 10 10 GLY C C 13 175.086 0 . . . . . . . 6 GLY C . 50422 1 77 . 1 . 1 10 10 GLY CA C 13 46.441 0 . . . . . . . 6 GLY CA . 50422 1 78 . 1 . 1 10 10 GLY N N 15 111.946 0 . . . . . . . 6 GLY N . 50422 1 79 . 1 . 1 11 11 TYR H H 1 8.51 0 . . . . . . . 7 TYR H . 50422 1 80 . 1 . 1 11 11 TYR HA H 1 4.343 0 . . . . . . . 7 TYR HA . 50422 1 81 . 1 . 1 11 11 TYR HB2 H 1 3.268 0 . . . . . . . 7 TYR HB2 . 50422 1 82 . 1 . 1 11 11 TYR HB3 H 1 2.947 0 . . . . . . . 7 TYR HB3 . 50422 1 83 . 1 . 1 11 11 TYR C C 13 175.553 0 . . . . . . . 7 TYR C . 50422 1 84 . 1 . 1 11 11 TYR CA C 13 58.91 0 . . . . . . . 7 TYR CA . 50422 1 85 . 1 . 1 11 11 TYR CB C 13 39.782 0 . . . . . . . 7 TYR CB . 50422 1 86 . 1 . 1 11 11 TYR N N 15 118.679 0.028 . . . . . . . 7 TYR N . 50422 1 87 . 1 . 1 12 12 LEU H H 1 9.643 0.001 . . . . . . . 8 LEU H . 50422 1 88 . 1 . 1 12 12 LEU HA H 1 4.66 0 . . . . . . . 8 LEU HA . 50422 1 89 . 1 . 1 12 12 LEU HB2 H 1 2.009 0 . . . . . . . 8 LEU HB2 . 50422 1 90 . 1 . 1 12 12 LEU HB3 H 1 1.61 0 . . . . . . . 8 LEU HB3 . 50422 1 91 . 1 . 1 12 12 LEU HG H 1 1.585 0 . . . . . . . 8 LEU HG . 50422 1 92 . 1 . 1 12 12 LEU HD11 H 1 0.996 0 . . . . . . . 8 LEU QD1 . 50422 1 93 . 1 . 1 12 12 LEU HD12 H 1 0.996 0 . . . . . . . 8 LEU QD1 . 50422 1 94 . 1 . 1 12 12 LEU HD13 H 1 0.996 0 . . . . . . . 8 LEU QD1 . 50422 1 95 . 1 . 1 12 12 LEU HD21 H 1 0.997 0 . . . . . . . 8 LEU QD2 . 50422 1 96 . 1 . 1 12 12 LEU HD22 H 1 0.997 0 . . . . . . . 8 LEU QD2 . 50422 1 97 . 1 . 1 12 12 LEU HD23 H 1 0.997 0 . . . . . . . 8 LEU QD2 . 50422 1 98 . 1 . 1 12 12 LEU C C 13 175.685 0 . . . . . . . 8 LEU C . 50422 1 99 . 1 . 1 12 12 LEU CA C 13 54.215 0 . . . . . . . 8 LEU CA . 50422 1 100 . 1 . 1 12 12 LEU CB C 13 43.778 0 . . . . . . . 8 LEU CB . 50422 1 101 . 1 . 1 12 12 LEU CG C 13 26.582 0 . . . . . . . 8 LEU CG . 50422 1 102 . 1 . 1 12 12 LEU CD1 C 13 24.1 0 . . . . . . . 8 LEU CD1 . 50422 1 103 . 1 . 1 12 12 LEU CD2 C 13 23.679 0 . . . . . . . 8 LEU CD2 . 50422 1 104 . 1 . 1 12 12 LEU N N 15 125.985 0.02 . . . . . . . 8 LEU N . 50422 1 105 . 1 . 1 13 13 LYS H H 1 8.741 0.001 . . . . . . . 9 LYS H . 50422 1 106 . 1 . 1 13 13 LYS HA H 1 3.836 0 . . . . . . . 9 LYS HA . 50422 1 107 . 1 . 1 13 13 LYS HB2 H 1 1.717 0 . . . . . . . 9 LYS QB . 50422 1 108 . 1 . 1 13 13 LYS HB3 H 1 1.717 0 . . . . . . . 9 LYS QB . 50422 1 109 . 1 . 1 13 13 LYS HG2 H 1 1.108 0 . . . . . . . 9 LYS QG . 50422 1 110 . 1 . 1 13 13 LYS HG3 H 1 1.108 0 . . . . . . . 9 LYS QG . 50422 1 111 . 1 . 1 13 13 LYS C C 13 175.5 0 . . . . . . . 9 LYS C . 50422 1 112 . 1 . 1 13 13 LYS CA C 13 57.41 0 . . . . . . . 9 LYS CA . 50422 1 113 . 1 . 1 13 13 LYS CB C 13 33.117 0 . . . . . . . 9 LYS CB . 50422 1 114 . 1 . 1 13 13 LYS CG C 13 24.89 0 . . . . . . . 9 LYS CG . 50422 1 115 . 1 . 1 13 13 LYS CD C 13 30.228 0 . . . . . . . 9 LYS CD . 50422 1 116 . 1 . 1 13 13 LYS CE C 13 40.969 0 . . . . . . . 9 LYS CE . 50422 1 117 . 1 . 1 13 13 LYS N N 15 128.815 0.021 . . . . . . . 9 LYS N . 50422 1 118 . 1 . 1 14 14 LEU H H 1 8.687 0 . . . . . . . 10 LEU H . 50422 1 119 . 1 . 1 14 14 LEU HA H 1 4.324 0 . . . . . . . 10 LEU HA . 50422 1 120 . 1 . 1 14 14 LEU HB2 H 1 0.783 0 . . . . . . . 10 LEU HB2 . 50422 1 121 . 1 . 1 14 14 LEU HB3 H 1 1.32 0 . . . . . . . 10 LEU HB3 . 50422 1 122 . 1 . 1 14 14 LEU HG H 1 1.365 0 . . . . . . . 10 LEU HG . 50422 1 123 . 1 . 1 14 14 LEU HD11 H 1 0.325 0 . . . . . . . 10 LEU QD1 . 50422 1 124 . 1 . 1 14 14 LEU HD12 H 1 0.325 0 . . . . . . . 10 LEU QD1 . 50422 1 125 . 1 . 1 14 14 LEU HD13 H 1 0.325 0 . . . . . . . 10 LEU QD1 . 50422 1 126 . 1 . 1 14 14 LEU HD21 H 1 0.499 0 . . . . . . . 10 LEU QD2 . 50422 1 127 . 1 . 1 14 14 LEU HD22 H 1 0.499 0 . . . . . . . 10 LEU QD2 . 50422 1 128 . 1 . 1 14 14 LEU HD23 H 1 0.499 0 . . . . . . . 10 LEU QD2 . 50422 1 129 . 1 . 1 14 14 LEU C C 13 177.178 0 . . . . . . . 10 LEU C . 50422 1 130 . 1 . 1 14 14 LEU CA C 13 56.388 0 . . . . . . . 10 LEU CA . 50422 1 131 . 1 . 1 14 14 LEU CB C 13 42.227 0 . . . . . . . 10 LEU CB . 50422 1 132 . 1 . 1 14 14 LEU CG C 13 25.753 0 . . . . . . . 10 LEU CG . 50422 1 133 . 1 . 1 14 14 LEU CD1 C 13 25.866 0 . . . . . . . 10 LEU CD1 . 50422 1 134 . 1 . 1 14 14 LEU CD2 C 13 22 0 . . . . . . . 10 LEU CD2 . 50422 1 135 . 1 . 1 14 14 LEU N N 15 128.498 0.003 . . . . . . . 10 LEU N . 50422 1 136 . 1 . 1 15 15 THR H H 1 7.68 0 . . . . . . . 11 THR H . 50422 1 137 . 1 . 1 15 15 THR HA H 1 4.612 0.012 . . . . . . . 11 THR HA . 50422 1 138 . 1 . 1 15 15 THR HB H 1 4.637 0 . . . . . . . 11 THR HB . 50422 1 139 . 1 . 1 15 15 THR HG21 H 1 1.188 0 . . . . . . . 11 THR QG2 . 50422 1 140 . 1 . 1 15 15 THR HG22 H 1 1.188 0 . . . . . . . 11 THR QG2 . 50422 1 141 . 1 . 1 15 15 THR HG23 H 1 1.188 0 . . . . . . . 11 THR QG2 . 50422 1 142 . 1 . 1 15 15 THR C C 13 173.022 0 . . . . . . . 11 THR C . 50422 1 143 . 1 . 1 15 15 THR CA C 13 58.938 0 . . . . . . . 11 THR CA . 50422 1 144 . 1 . 1 15 15 THR CB C 13 71.46 0 . . . . . . . 11 THR CB . 50422 1 145 . 1 . 1 15 15 THR CG2 C 13 23.035 0 . . . . . . . 11 THR CG2 . 50422 1 146 . 1 . 1 15 15 THR N N 15 109.371 0.017 . . . . . . . 11 THR N . 50422 1 147 . 1 . 1 16 16 ASP H H 1 8.297 0.001 . . . . . . . 12 ASP H . 50422 1 148 . 1 . 1 16 16 ASP HA H 1 4.262 0 . . . . . . . 12 ASP HA . 50422 1 149 . 1 . 1 16 16 ASP HB2 H 1 2.678 0 . . . . . . . 12 ASP QB . 50422 1 150 . 1 . 1 16 16 ASP HB3 H 1 2.678 0 . . . . . . . 12 ASP QB . 50422 1 151 . 1 . 1 16 16 ASP C C 13 175.942 0 . . . . . . . 12 ASP C . 50422 1 152 . 1 . 1 16 16 ASP CA C 13 57.576 0 . . . . . . . 12 ASP CA . 50422 1 153 . 1 . 1 16 16 ASP CB C 13 40.895 0 . . . . . . . 12 ASP CB . 50422 1 154 . 1 . 1 16 16 ASP N N 15 113.443 0.036 . . . . . . . 12 ASP N . 50422 1 155 . 1 . 1 17 17 ASN H H 1 7.826 0.004 . . . . . . . 13 ASN H . 50422 1 156 . 1 . 1 17 17 ASN HA H 1 5.02 0.007 . . . . . . . 13 ASN HA . 50422 1 157 . 1 . 1 17 17 ASN HB2 H 1 2.271 0 . . . . . . . 13 ASN HB2 . 50422 1 158 . 1 . 1 17 17 ASN HB3 H 1 2.873 0.024 . . . . . . . 13 ASN HB3 . 50422 1 159 . 1 . 1 17 17 ASN C C 13 170.887 0 . . . . . . . 13 ASN C . 50422 1 160 . 1 . 1 17 17 ASN CA C 13 53.253 0 . . . . . . . 13 ASN CA . 50422 1 161 . 1 . 1 17 17 ASN CB C 13 40.228 0 . . . . . . . 13 ASN CB . 50422 1 162 . 1 . 1 17 17 ASN N N 15 111.443 0.031 . . . . . . . 13 ASN N . 50422 1 163 . 1 . 1 18 18 VAL H H 1 6.718 0.001 . . . . . . . 14 VAL H . 50422 1 164 . 1 . 1 18 18 VAL HA H 1 4.629 0 . . . . . . . 14 VAL HA . 50422 1 165 . 1 . 1 18 18 VAL HB H 1 1.778 0 . . . . . . . 14 VAL HB . 50422 1 166 . 1 . 1 18 18 VAL HG11 H 1 0.93 0 . . . . . . . 14 VAL QG1 . 50422 1 167 . 1 . 1 18 18 VAL HG12 H 1 0.93 0 . . . . . . . 14 VAL QG1 . 50422 1 168 . 1 . 1 18 18 VAL HG13 H 1 0.93 0 . . . . . . . 14 VAL QG1 . 50422 1 169 . 1 . 1 18 18 VAL C C 13 172.551 0 . . . . . . . 14 VAL C . 50422 1 170 . 1 . 1 18 18 VAL CA C 13 62.207 0 . . . . . . . 14 VAL CA . 50422 1 171 . 1 . 1 18 18 VAL CB C 13 32.19 0 . . . . . . . 14 VAL CB . 50422 1 172 . 1 . 1 18 18 VAL CG1 C 13 21.03 0 . . . . . . . 14 VAL CG1 . 50422 1 173 . 1 . 1 18 18 VAL N N 15 119.371 0.007 . . . . . . . 14 VAL N . 50422 1 174 . 1 . 1 19 19 TYR H H 1 8.705 0.001 . . . . . . . 15 TYR H . 50422 1 175 . 1 . 1 19 19 TYR HA H 1 5.269 0 . . . . . . . 15 TYR HA . 50422 1 176 . 1 . 1 19 19 TYR HB2 H 1 2.158 0 . . . . . . . 15 TYR HB2 . 50422 1 177 . 1 . 1 19 19 TYR HB3 H 1 2.727 0 . . . . . . . 15 TYR HB3 . 50422 1 178 . 1 . 1 19 19 TYR C C 13 174.977 0 . . . . . . . 15 TYR C . 50422 1 179 . 1 . 1 19 19 TYR CA C 13 55.648 0 . . . . . . . 15 TYR CA . 50422 1 180 . 1 . 1 19 19 TYR CB C 13 42.174 0 . . . . . . . 15 TYR CB . 50422 1 181 . 1 . 1 19 19 TYR N N 15 127.622 0 . . . . . . . 15 TYR N . 50422 1 182 . 1 . 1 20 20 ILE H H 1 9.755 0.001 . . . . . . . 16 ILE H . 50422 1 183 . 1 . 1 20 20 ILE HA H 1 6.037 0.017 . . . . . . . 16 ILE HA . 50422 1 184 . 1 . 1 20 20 ILE HB H 1 1.547 0 . . . . . . . 16 ILE HB . 50422 1 185 . 1 . 1 20 20 ILE HG12 H 1 1.431 0 . . . . . . . 16 ILE QG1 . 50422 1 186 . 1 . 1 20 20 ILE HG13 H 1 1.431 0 . . . . . . . 16 ILE QG1 . 50422 1 187 . 1 . 1 20 20 ILE HG21 H 1 1.018 0 . . . . . . . 16 ILE QG2 . 50422 1 188 . 1 . 1 20 20 ILE HG22 H 1 1.018 0 . . . . . . . 16 ILE QG2 . 50422 1 189 . 1 . 1 20 20 ILE HG23 H 1 1.018 0 . . . . . . . 16 ILE QG2 . 50422 1 190 . 1 . 1 20 20 ILE HD11 H 1 0.761 0 . . . . . . . 16 ILE QD1 . 50422 1 191 . 1 . 1 20 20 ILE HD12 H 1 0.761 0 . . . . . . . 16 ILE QD1 . 50422 1 192 . 1 . 1 20 20 ILE HD13 H 1 0.761 0 . . . . . . . 16 ILE QD1 . 50422 1 193 . 1 . 1 20 20 ILE C C 13 172.387 0 . . . . . . . 16 ILE C . 50422 1 194 . 1 . 1 20 20 ILE CA C 13 60.272 0 . . . . . . . 16 ILE CA . 50422 1 195 . 1 . 1 20 20 ILE CB C 13 44.305 0 . . . . . . . 16 ILE CB . 50422 1 196 . 1 . 1 20 20 ILE CG1 C 13 26.347 0 . . . . . . . 16 ILE CG1 . 50422 1 197 . 1 . 1 20 20 ILE CG2 C 13 15.25 0 . . . . . . . 16 ILE CG2 . 50422 1 198 . 1 . 1 20 20 ILE CD1 C 13 14.379 0 . . . . . . . 16 ILE CD1 . 50422 1 199 . 1 . 1 20 20 ILE N N 15 120.594 0.021 . . . . . . . 16 ILE N . 50422 1 200 . 1 . 1 21 21 LYS H H 1 8.959 0.002 . . . . . . . 17 LYS H . 50422 1 201 . 1 . 1 21 21 LYS HA H 1 4.467 0 . . . . . . . 17 LYS HA . 50422 1 202 . 1 . 1 21 21 LYS C C 13 173.409 0 . . . . . . . 17 LYS C . 50422 1 203 . 1 . 1 21 21 LYS CA C 13 55.865 0 . . . . . . . 17 LYS CA . 50422 1 204 . 1 . 1 21 21 LYS CB C 13 38.883 0 . . . . . . . 17 LYS CB . 50422 1 205 . 1 . 1 21 21 LYS N N 15 127.79 0.021 . . . . . . . 17 LYS N . 50422 1 206 . 1 . 1 22 22 ASN H H 1 8.337 0.001 . . . . . . . 18 ASN H . 50422 1 207 . 1 . 1 22 22 ASN HA H 1 5.268 0.007 . . . . . . . 18 ASN HA . 50422 1 208 . 1 . 1 22 22 ASN HB2 H 1 0.967 0 . . . . . . . 18 ASN HB2 . 50422 1 209 . 1 . 1 22 22 ASN HB3 H 1 2.225 0.021 . . . . . . . 18 ASN HB3 . 50422 1 210 . 1 . 1 22 22 ASN C C 13 172.288 0 . . . . . . . 18 ASN C . 50422 1 211 . 1 . 1 22 22 ASN CA C 13 50.212 0 . . . . . . . 18 ASN CA . 50422 1 212 . 1 . 1 22 22 ASN CB C 13 36.54 0 . . . . . . . 18 ASN CB . 50422 1 213 . 1 . 1 22 22 ASN N N 15 125.333 0.015 . . . . . . . 18 ASN N . 50422 1 214 . 1 . 1 23 23 ALA H H 1 7.654 0.001 . . . . . . . 19 ALA H . 50422 1 215 . 1 . 1 23 23 ALA HA H 1 4.472 0.005 . . . . . . . 19 ALA HA . 50422 1 216 . 1 . 1 23 23 ALA HB1 H 1 1.082 0.003 . . . . . . . 19 ALA HB . 50422 1 217 . 1 . 1 23 23 ALA HB2 H 1 1.082 0.003 . . . . . . . 19 ALA HB . 50422 1 218 . 1 . 1 23 23 ALA HB3 H 1 1.082 0.003 . . . . . . . 19 ALA HB . 50422 1 219 . 1 . 1 23 23 ALA C C 13 174.134 0 . . . . . . . 19 ALA C . 50422 1 220 . 1 . 1 23 23 ALA CA C 13 51.1 0 . . . . . . . 19 ALA CA . 50422 1 221 . 1 . 1 23 23 ALA CB C 13 22.376 0 . . . . . . . 19 ALA CB . 50422 1 222 . 1 . 1 23 23 ALA N N 15 127.951 0.01 . . . . . . . 19 ALA N . 50422 1 223 . 1 . 1 24 24 ASP H H 1 8.778 0.002 . . . . . . . 20 ASP H . 50422 1 224 . 1 . 1 24 24 ASP HA H 1 4.664 0 . . . . . . . 20 ASP HA . 50422 1 225 . 1 . 1 24 24 ASP HB2 H 1 2.586 0 . . . . . . . 20 ASP QB . 50422 1 226 . 1 . 1 24 24 ASP HB3 H 1 2.586 0 . . . . . . . 20 ASP QB . 50422 1 227 . 1 . 1 24 24 ASP C C 13 176.966 0 . . . . . . . 20 ASP C . 50422 1 228 . 1 . 1 24 24 ASP CA C 13 53.077 0 . . . . . . . 20 ASP CA . 50422 1 229 . 1 . 1 24 24 ASP CB C 13 42.801 0 . . . . . . . 20 ASP CB . 50422 1 230 . 1 . 1 24 24 ASP N N 15 120.047 0.032 . . . . . . . 20 ASP N . 50422 1 231 . 1 . 1 25 25 ILE H H 1 9.008 0 . . . . . . . 21 ILE H . 50422 1 232 . 1 . 1 25 25 ILE HA H 1 3.678 0 . . . . . . . 21 ILE HA . 50422 1 233 . 1 . 1 25 25 ILE HB H 1 1.994 0 . . . . . . . 21 ILE HB . 50422 1 234 . 1 . 1 25 25 ILE HG12 H 1 1.402 0 . . . . . . . 21 ILE QG1 . 50422 1 235 . 1 . 1 25 25 ILE HG13 H 1 1.402 0 . . . . . . . 21 ILE QG1 . 50422 1 236 . 1 . 1 25 25 ILE HG21 H 1 1.014 0 . . . . . . . 21 ILE QG2 . 50422 1 237 . 1 . 1 25 25 ILE HG22 H 1 1.014 0 . . . . . . . 21 ILE QG2 . 50422 1 238 . 1 . 1 25 25 ILE HG23 H 1 1.014 0 . . . . . . . 21 ILE QG2 . 50422 1 239 . 1 . 1 25 25 ILE HD11 H 1 0.871 0 . . . . . . . 21 ILE QD1 . 50422 1 240 . 1 . 1 25 25 ILE HD12 H 1 0.871 0 . . . . . . . 21 ILE QD1 . 50422 1 241 . 1 . 1 25 25 ILE HD13 H 1 0.871 0 . . . . . . . 21 ILE QD1 . 50422 1 242 . 1 . 1 25 25 ILE C C 13 174.628 0 . . . . . . . 21 ILE C . 50422 1 243 . 1 . 1 25 25 ILE CA C 13 65.868 0 . . . . . . . 21 ILE CA . 50422 1 244 . 1 . 1 25 25 ILE CB C 13 38.49 0 . . . . . . . 21 ILE CB . 50422 1 245 . 1 . 1 25 25 ILE CG1 C 13 29.642 0 . . . . . . . 21 ILE CG1 . 50422 1 246 . 1 . 1 25 25 ILE CG2 C 13 15.686 0 . . . . . . . 21 ILE CG2 . 50422 1 247 . 1 . 1 25 25 ILE CD1 C 13 13.882 0 . . . . . . . 21 ILE CD1 . 50422 1 248 . 1 . 1 25 25 ILE N N 15 128.302 0.012 . . . . . . . 21 ILE N . 50422 1 249 . 1 . 1 26 26 VAL H H 1 7.874 0.001 . . . . . . . 22 VAL H . 50422 1 250 . 1 . 1 26 26 VAL HA H 1 3.345 0 . . . . . . . 22 VAL HA . 50422 1 251 . 1 . 1 26 26 VAL HB H 1 2.297 0 . . . . . . . 22 VAL HB . 50422 1 252 . 1 . 1 26 26 VAL HG11 H 1 0.454 0 . . . . . . . 22 VAL QG1 . 50422 1 253 . 1 . 1 26 26 VAL HG12 H 1 0.454 0 . . . . . . . 22 VAL QG1 . 50422 1 254 . 1 . 1 26 26 VAL HG13 H 1 0.454 0 . . . . . . . 22 VAL QG1 . 50422 1 255 . 1 . 1 26 26 VAL HG21 H 1 0.456 0 . . . . . . . 22 VAL QG2 . 50422 1 256 . 1 . 1 26 26 VAL HG22 H 1 0.456 0 . . . . . . . 22 VAL QG2 . 50422 1 257 . 1 . 1 26 26 VAL HG23 H 1 0.456 0 . . . . . . . 22 VAL QG2 . 50422 1 258 . 1 . 1 26 26 VAL C C 13 177.476 0 . . . . . . . 22 VAL C . 50422 1 259 . 1 . 1 26 26 VAL CA C 13 67.321 0 . . . . . . . 22 VAL CA . 50422 1 260 . 1 . 1 26 26 VAL CB C 13 30.884 0 . . . . . . . 22 VAL CB . 50422 1 261 . 1 . 1 26 26 VAL CG1 C 13 21.881 0 . . . . . . . 22 VAL CG1 . 50422 1 262 . 1 . 1 26 26 VAL CG2 C 13 23.628 0 . . . . . . . 22 VAL CG2 . 50422 1 263 . 1 . 1 26 26 VAL N N 15 122.4 0.002 . . . . . . . 22 VAL N . 50422 1 264 . 1 . 1 27 27 GLU H H 1 7.209 0.001 . . . . . . . 23 GLU H . 50422 1 265 . 1 . 1 27 27 GLU HA H 1 4.025 0 . . . . . . . 23 GLU HA . 50422 1 266 . 1 . 1 27 27 GLU HB2 H 1 2.152 0 . . . . . . . 23 GLU QB . 50422 1 267 . 1 . 1 27 27 GLU HB3 H 1 2.152 0 . . . . . . . 23 GLU QB . 50422 1 268 . 1 . 1 27 27 GLU HG2 H 1 2.249 0 . . . . . . . 23 GLU QG . 50422 1 269 . 1 . 1 27 27 GLU HG3 H 1 2.249 0 . . . . . . . 23 GLU QG . 50422 1 270 . 1 . 1 27 27 GLU C C 13 180.206 0 . . . . . . . 23 GLU C . 50422 1 271 . 1 . 1 27 27 GLU CA C 13 58.906 0 . . . . . . . 23 GLU CA . 50422 1 272 . 1 . 1 27 27 GLU CB C 13 29.357 0 . . . . . . . 23 GLU CB . 50422 1 273 . 1 . 1 27 27 GLU CG C 13 36.119 0.011 . . . . . . . 23 GLU CG . 50422 1 274 . 1 . 1 27 27 GLU N N 15 118.281 0.017 . . . . . . . 23 GLU N . 50422 1 275 . 1 . 1 28 28 GLU H H 1 8.574 0.001 . . . . . . . 24 GLU H . 50422 1 276 . 1 . 1 28 28 GLU HA H 1 3.979 0 . . . . . . . 24 GLU HA . 50422 1 277 . 1 . 1 28 28 GLU HB2 H 1 2.081 0 . . . . . . . 24 GLU QB . 50422 1 278 . 1 . 1 28 28 GLU HB3 H 1 2.081 0 . . . . . . . 24 GLU QB . 50422 1 279 . 1 . 1 28 28 GLU HG2 H 1 2.436 0 . . . . . . . 24 GLU QG . 50422 1 280 . 1 . 1 28 28 GLU HG3 H 1 2.436 0 . . . . . . . 24 GLU QG . 50422 1 281 . 1 . 1 28 28 GLU C C 13 177.591 0 . . . . . . . 24 GLU C . 50422 1 282 . 1 . 1 28 28 GLU CA C 13 58.792 0 . . . . . . . 24 GLU CA . 50422 1 283 . 1 . 1 28 28 GLU CB C 13 30.581 0 . . . . . . . 24 GLU CB . 50422 1 284 . 1 . 1 28 28 GLU CG C 13 36.569 0 . . . . . . . 24 GLU CG . 50422 1 285 . 1 . 1 28 28 GLU N N 15 118.323 0.022 . . . . . . . 24 GLU N . 50422 1 286 . 1 . 1 29 29 ALA H H 1 8.511 0.001 . . . . . . . 25 ALA H . 50422 1 287 . 1 . 1 29 29 ALA HA H 1 3.63 0.006 . . . . . . . 25 ALA HA . 50422 1 288 . 1 . 1 29 29 ALA HB1 H 1 1.509 0.007 . . . . . . . 25 ALA HB . 50422 1 289 . 1 . 1 29 29 ALA HB2 H 1 1.509 0.007 . . . . . . . 25 ALA HB . 50422 1 290 . 1 . 1 29 29 ALA HB3 H 1 1.509 0.007 . . . . . . . 25 ALA HB . 50422 1 291 . 1 . 1 29 29 ALA C C 13 179.54 0 . . . . . . . 25 ALA C . 50422 1 292 . 1 . 1 29 29 ALA CA C 13 55.947 0 . . . . . . . 25 ALA CA . 50422 1 293 . 1 . 1 29 29 ALA CB C 13 17.002 0 . . . . . . . 25 ALA CB . 50422 1 294 . 1 . 1 29 29 ALA N N 15 122.648 0.018 . . . . . . . 25 ALA N . 50422 1 295 . 1 . 1 30 30 LYS H H 1 7.897 0 . . . . . . . 26 LYS H . 50422 1 296 . 1 . 1 30 30 LYS HA H 1 3.948 0 . . . . . . . 26 LYS HA . 50422 1 297 . 1 . 1 30 30 LYS HB2 H 1 1.859 0 . . . . . . . 26 LYS QB . 50422 1 298 . 1 . 1 30 30 LYS HB3 H 1 1.859 0 . . . . . . . 26 LYS QB . 50422 1 299 . 1 . 1 30 30 LYS HG2 H 1 1.374 0 . . . . . . . 26 LYS QG . 50422 1 300 . 1 . 1 30 30 LYS HG3 H 1 1.374 0 . . . . . . . 26 LYS QG . 50422 1 301 . 1 . 1 30 30 LYS HD2 H 1 1.611 0 . . . . . . . 26 LYS QD . 50422 1 302 . 1 . 1 30 30 LYS HD3 H 1 1.611 0 . . . . . . . 26 LYS QD . 50422 1 303 . 1 . 1 30 30 LYS C C 13 178.243 0 . . . . . . . 26 LYS C . 50422 1 304 . 1 . 1 30 30 LYS CA C 13 59.89 0 . . . . . . . 26 LYS CA . 50422 1 305 . 1 . 1 30 30 LYS CB C 13 32.717 0 . . . . . . . 26 LYS CB . 50422 1 306 . 1 . 1 30 30 LYS CG C 13 26.004 0 . . . . . . . 26 LYS CG . 50422 1 307 . 1 . 1 30 30 LYS CD C 13 29.664 0 . . . . . . . 26 LYS CD . 50422 1 308 . 1 . 1 30 30 LYS N N 15 114.572 0.007 . . . . . . . 26 LYS N . 50422 1 309 . 1 . 1 31 31 LYS H H 1 7.491 0.001 . . . . . . . 27 LYS H . 50422 1 310 . 1 . 1 31 31 LYS HA H 1 4.005 0 . . . . . . . 27 LYS HA . 50422 1 311 . 1 . 1 31 31 LYS HB2 H 1 1.854 0 . . . . . . . 27 LYS QB . 50422 1 312 . 1 . 1 31 31 LYS HB3 H 1 1.854 0 . . . . . . . 27 LYS QB . 50422 1 313 . 1 . 1 31 31 LYS C C 13 178.048 0 . . . . . . . 27 LYS C . 50422 1 314 . 1 . 1 31 31 LYS CA C 13 58.491 0 . . . . . . . 27 LYS CA . 50422 1 315 . 1 . 1 31 31 LYS CB C 13 33.571 0 . . . . . . . 27 LYS CB . 50422 1 316 . 1 . 1 31 31 LYS N N 15 116.795 0.011 . . . . . . . 27 LYS N . 50422 1 317 . 1 . 1 32 32 VAL H H 1 8.57 0 . . . . . . . 28 VAL H . 50422 1 318 . 1 . 1 32 32 VAL HA H 1 3.482 0 . . . . . . . 28 VAL HA . 50422 1 319 . 1 . 1 32 32 VAL HB H 1 1.401 0 . . . . . . . 28 VAL HB . 50422 1 320 . 1 . 1 32 32 VAL HG11 H 1 0.616 0 . . . . . . . 28 VAL QG1 . 50422 1 321 . 1 . 1 32 32 VAL HG12 H 1 0.616 0 . . . . . . . 28 VAL QG1 . 50422 1 322 . 1 . 1 32 32 VAL HG13 H 1 0.616 0 . . . . . . . 28 VAL QG1 . 50422 1 323 . 1 . 1 32 32 VAL C C 13 176.035 0 . . . . . . . 28 VAL C . 50422 1 324 . 1 . 1 32 32 VAL CA C 13 63.868 0 . . . . . . . 28 VAL CA . 50422 1 325 . 1 . 1 32 32 VAL CB C 13 33.248 0 . . . . . . . 28 VAL CB . 50422 1 326 . 1 . 1 32 32 VAL CG1 C 13 22.589 0 . . . . . . . 28 VAL CG1 . 50422 1 327 . 1 . 1 32 32 VAL CG2 C 13 19.953 0 . . . . . . . 28 VAL CG2 . 50422 1 328 . 1 . 1 32 32 VAL N N 15 117.95 0.016 . . . . . . . 28 VAL N . 50422 1 329 . 1 . 1 33 33 LYS H H 1 8.256 0 . . . . . . . 29 LYS H . 50422 1 330 . 1 . 1 33 33 LYS HA H 1 4.049 0 . . . . . . . 29 LYS HA . 50422 1 331 . 1 . 1 33 33 LYS C C 13 173.763 0 . . . . . . . 29 LYS C . 50422 1 332 . 1 . 1 33 33 LYS CA C 13 55.833 0 . . . . . . . 29 LYS CA . 50422 1 333 . 1 . 1 33 33 LYS CB C 13 29.58 0 . . . . . . . 29 LYS CB . 50422 1 334 . 1 . 1 33 33 LYS N N 15 114.311 0.019 . . . . . . . 29 LYS N . 50422 1 335 . 1 . 1 34 34 PRO HA H 1 4.596 0 . . . . . . . 30 PRO HA . 50422 1 336 . 1 . 1 34 34 PRO HB2 H 1 2.238 0 . . . . . . . 30 PRO HB2 . 50422 1 337 . 1 . 1 34 34 PRO HB3 H 1 1.9 0 . . . . . . . 30 PRO HB3 . 50422 1 338 . 1 . 1 34 34 PRO HG2 H 1 1.886 0 . . . . . . . 30 PRO QG . 50422 1 339 . 1 . 1 34 34 PRO HG3 H 1 1.886 0 . . . . . . . 30 PRO QG . 50422 1 340 . 1 . 1 34 34 PRO HD2 H 1 4.293 0 . . . . . . . 30 PRO QD . 50422 1 341 . 1 . 1 34 34 PRO HD3 H 1 4.293 0 . . . . . . . 30 PRO QD . 50422 1 342 . 1 . 1 34 34 PRO C C 13 176.789 0 . . . . . . . 30 PRO C . 50422 1 343 . 1 . 1 34 34 PRO CA C 13 62.085 0 . . . . . . . 30 PRO CA . 50422 1 344 . 1 . 1 34 34 PRO CB C 13 32.05 0 . . . . . . . 30 PRO CB . 50422 1 345 . 1 . 1 34 34 PRO CG C 13 26.582 0 . . . . . . . 30 PRO CG . 50422 1 346 . 1 . 1 34 34 PRO CD C 13 50.081 0 . . . . . . . 30 PRO CD . 50422 1 347 . 1 . 1 35 35 THR H H 1 8.589 0 . . . . . . . 31 THR H . 50422 1 348 . 1 . 1 35 35 THR HA H 1 4.019 0 . . . . . . . 31 THR HA . 50422 1 349 . 1 . 1 35 35 THR HB H 1 4.352 0 . . . . . . . 31 THR HB . 50422 1 350 . 1 . 1 35 35 THR HG21 H 1 1.47 0 . . . . . . . 31 THR QG2 . 50422 1 351 . 1 . 1 35 35 THR HG22 H 1 1.47 0 . . . . . . . 31 THR QG2 . 50422 1 352 . 1 . 1 35 35 THR HG23 H 1 1.47 0 . . . . . . . 31 THR QG2 . 50422 1 353 . 1 . 1 35 35 THR C C 13 181.287 0 . . . . . . . 31 THR C . 50422 1 354 . 1 . 1 35 35 THR CA C 13 66.313 0 . . . . . . . 31 THR CA . 50422 1 355 . 1 . 1 35 35 THR CB C 13 68.804 0 . . . . . . . 31 THR CB . 50422 1 356 . 1 . 1 35 35 THR CG2 C 13 23.65 0 . . . . . . . 31 THR CG2 . 50422 1 357 . 1 . 1 35 35 THR N N 15 115.595 0.017 . . . . . . . 31 THR N . 50422 1 358 . 1 . 1 36 36 VAL H H 1 8.49 0 . . . . . . . 32 VAL H . 50422 1 359 . 1 . 1 36 36 VAL HA H 1 4.75 0 . . . . . . . 32 VAL HA . 50422 1 360 . 1 . 1 36 36 VAL HB H 1 2.075 0 . . . . . . . 32 VAL HB . 50422 1 361 . 1 . 1 36 36 VAL HG11 H 1 0.818 0 . . . . . . . 32 VAL QG1 . 50422 1 362 . 1 . 1 36 36 VAL HG12 H 1 0.818 0 . . . . . . . 32 VAL QG1 . 50422 1 363 . 1 . 1 36 36 VAL HG13 H 1 0.818 0 . . . . . . . 32 VAL QG1 . 50422 1 364 . 1 . 1 36 36 VAL HG21 H 1 0.389 0 . . . . . . . 32 VAL QG2 . 50422 1 365 . 1 . 1 36 36 VAL HG22 H 1 0.389 0 . . . . . . . 32 VAL QG2 . 50422 1 366 . 1 . 1 36 36 VAL HG23 H 1 0.389 0 . . . . . . . 32 VAL QG2 . 50422 1 367 . 1 . 1 36 36 VAL C C 13 174.049 0 . . . . . . . 32 VAL C . 50422 1 368 . 1 . 1 36 36 VAL CA C 13 61.549 0 . . . . . . . 32 VAL CA . 50422 1 369 . 1 . 1 36 36 VAL CB C 13 35.932 0 . . . . . . . 32 VAL CB . 50422 1 370 . 1 . 1 36 36 VAL CG1 C 13 22.983 0 . . . . . . . 32 VAL CG1 . 50422 1 371 . 1 . 1 36 36 VAL CG2 C 13 23.13 0 . . . . . . . 32 VAL CG2 . 50422 1 372 . 1 . 1 36 36 VAL N N 15 118.483 0.021 . . . . . . . 32 VAL N . 50422 1 373 . 1 . 1 37 37 VAL H H 1 7.908 0 . . . . . . . 33 VAL H . 50422 1 374 . 1 . 1 37 37 VAL HA H 1 5.314 0.001 . . . . . . . 33 VAL HA . 50422 1 375 . 1 . 1 37 37 VAL HB H 1 1.606 0.008 . . . . . . . 33 VAL HB . 50422 1 376 . 1 . 1 37 37 VAL HG11 H 1 0.87 0 . . . . . . . 33 VAL QG1 . 50422 1 377 . 1 . 1 37 37 VAL HG12 H 1 0.87 0 . . . . . . . 33 VAL QG1 . 50422 1 378 . 1 . 1 37 37 VAL HG13 H 1 0.87 0 . . . . . . . 33 VAL QG1 . 50422 1 379 . 1 . 1 37 37 VAL HG21 H 1 0.685 0 . . . . . . . 33 VAL QG2 . 50422 1 380 . 1 . 1 37 37 VAL HG22 H 1 0.685 0 . . . . . . . 33 VAL QG2 . 50422 1 381 . 1 . 1 37 37 VAL HG23 H 1 0.685 0 . . . . . . . 33 VAL QG2 . 50422 1 382 . 1 . 1 37 37 VAL C C 13 172.339 0 . . . . . . . 33 VAL C . 50422 1 383 . 1 . 1 37 37 VAL CA C 13 57.619 0 . . . . . . . 33 VAL CA . 50422 1 384 . 1 . 1 37 37 VAL CB C 13 35.586 0 . . . . . . . 33 VAL CB . 50422 1 385 . 1 . 1 37 37 VAL CG1 C 13 21.831 0 . . . . . . . 33 VAL CG1 . 50422 1 386 . 1 . 1 37 37 VAL CG2 C 13 18.94 0 . . . . . . . 33 VAL CG2 . 50422 1 387 . 1 . 1 37 37 VAL N N 15 125.191 0.013 . . . . . . . 33 VAL N . 50422 1 388 . 1 . 1 38 38 VAL H H 1 8.734 0.001 . . . . . . . 34 VAL H . 50422 1 389 . 1 . 1 38 38 VAL HA H 1 4.674 0 . . . . . . . 34 VAL HA . 50422 1 390 . 1 . 1 38 38 VAL HB H 1 1.982 0 . . . . . . . 34 VAL HB . 50422 1 391 . 1 . 1 38 38 VAL HG11 H 1 0.724 0 . . . . . . . 34 VAL QQG . 50422 1 392 . 1 . 1 38 38 VAL HG12 H 1 0.724 0 . . . . . . . 34 VAL QQG . 50422 1 393 . 1 . 1 38 38 VAL HG13 H 1 0.724 0 . . . . . . . 34 VAL QQG . 50422 1 394 . 1 . 1 38 38 VAL HG21 H 1 0.724 0 . . . . . . . 34 VAL QQG . 50422 1 395 . 1 . 1 38 38 VAL HG22 H 1 0.724 0 . . . . . . . 34 VAL QQG . 50422 1 396 . 1 . 1 38 38 VAL HG23 H 1 0.724 0 . . . . . . . 34 VAL QQG . 50422 1 397 . 1 . 1 38 38 VAL C C 13 172.922 0 . . . . . . . 34 VAL C . 50422 1 398 . 1 . 1 38 38 VAL CA C 13 60.833 0 . . . . . . . 34 VAL CA . 50422 1 399 . 1 . 1 38 38 VAL CB C 13 33.192 0 . . . . . . . 34 VAL CB . 50422 1 400 . 1 . 1 38 38 VAL CG1 C 13 23.879 0 . . . . . . . 34 VAL CG1 . 50422 1 401 . 1 . 1 38 38 VAL CG2 C 13 20.827 0 . . . . . . . 34 VAL CG2 . 50422 1 402 . 1 . 1 38 38 VAL N N 15 129.987 0.023 . . . . . . . 34 VAL N . 50422 1 403 . 1 . 1 39 39 ASN H H 1 8.208 0.001 . . . . . . . 35 ASN H . 50422 1 404 . 1 . 1 39 39 ASN HA H 1 4.779 0 . . . . . . . 35 ASN HA . 50422 1 405 . 1 . 1 39 39 ASN HB2 H 1 1.729 0 . . . . . . . 35 ASN HB2 . 50422 1 406 . 1 . 1 39 39 ASN HB3 H 1 2.28 0 . . . . . . . 35 ASN HB3 . 50422 1 407 . 1 . 1 39 39 ASN C C 13 175.481 0 . . . . . . . 35 ASN C . 50422 1 408 . 1 . 1 39 39 ASN CA C 13 50.207 0 . . . . . . . 35 ASN CA . 50422 1 409 . 1 . 1 39 39 ASN CB C 13 41.725 0 . . . . . . . 35 ASN CB . 50422 1 410 . 1 . 1 39 39 ASN N N 15 118.412 0.01 . . . . . . . 35 ASN N . 50422 1 411 . 1 . 1 40 40 ALA H H 1 6.385 0.002 . . . . . . . 36 ALA H . 50422 1 412 . 1 . 1 40 40 ALA HA H 1 4.478 0.004 . . . . . . . 36 ALA HA . 50422 1 413 . 1 . 1 40 40 ALA HB1 H 1 1.257 0.007 . . . . . . . 36 ALA HB . 50422 1 414 . 1 . 1 40 40 ALA HB2 H 1 1.257 0.007 . . . . . . . 36 ALA HB . 50422 1 415 . 1 . 1 40 40 ALA HB3 H 1 1.257 0.007 . . . . . . . 36 ALA HB . 50422 1 416 . 1 . 1 40 40 ALA C C 13 174.333 0 . . . . . . . 36 ALA C . 50422 1 417 . 1 . 1 40 40 ALA CA C 13 50.474 0 . . . . . . . 36 ALA CA . 50422 1 418 . 1 . 1 40 40 ALA CB C 13 17.917 0 . . . . . . . 36 ALA CB . 50422 1 419 . 1 . 1 40 40 ALA N N 15 131.828 0.02 . . . . . . . 36 ALA N . 50422 1 420 . 1 . 1 41 41 ALA H H 1 7.701 0 . . . . . . . 37 ALA H . 50422 1 421 . 1 . 1 41 41 ALA HA H 1 4.935 0.003 . . . . . . . 37 ALA HA . 50422 1 422 . 1 . 1 41 41 ALA HB1 H 1 1.487 0.007 . . . . . . . 37 ALA HB . 50422 1 423 . 1 . 1 41 41 ALA HB2 H 1 1.487 0.007 . . . . . . . 37 ALA HB . 50422 1 424 . 1 . 1 41 41 ALA HB3 H 1 1.487 0.007 . . . . . . . 37 ALA HB . 50422 1 425 . 1 . 1 41 41 ALA C C 13 176.566 0 . . . . . . . 37 ALA C . 50422 1 426 . 1 . 1 41 41 ALA CA C 13 51.423 0 . . . . . . . 37 ALA CA . 50422 1 427 . 1 . 1 41 41 ALA CB C 13 22.468 0 . . . . . . . 37 ALA CB . 50422 1 428 . 1 . 1 41 41 ALA N N 15 126.14 0.012 . . . . . . . 37 ALA N . 50422 1 429 . 1 . 1 42 42 ASN H H 1 7.492 0.001 . . . . . . . 38 ASN H . 50422 1 430 . 1 . 1 42 42 ASN HA H 1 5.275 0.001 . . . . . . . 38 ASN HA . 50422 1 431 . 1 . 1 42 42 ASN HB2 H 1 3.429 0.002 . . . . . . . 38 ASN HB2 . 50422 1 432 . 1 . 1 42 42 ASN HB3 H 1 3.003 0.012 . . . . . . . 38 ASN HB3 . 50422 1 433 . 1 . 1 42 42 ASN C C 13 177.863 0.01 . . . . . . . 38 ASN C . 50422 1 434 . 1 . 1 42 42 ASN CA C 13 51.45 0 . . . . . . . 38 ASN CA . 50422 1 435 . 1 . 1 42 42 ASN CB C 13 42.243 0 . . . . . . . 38 ASN CB . 50422 1 436 . 1 . 1 42 42 ASN N N 15 112.878 0.007 . . . . . . . 38 ASN N . 50422 1 437 . 1 . 1 43 43 VAL H H 1 8.543 0.001 . . . . . . . 39 VAL H . 50422 1 438 . 1 . 1 43 43 VAL HA H 1 3.696 0 . . . . . . . 39 VAL HA . 50422 1 439 . 1 . 1 43 43 VAL HB H 1 2.294 0 . . . . . . . 39 VAL HB . 50422 1 440 . 1 . 1 43 43 VAL HG11 H 1 0.881 0 . . . . . . . 39 VAL QG1 . 50422 1 441 . 1 . 1 43 43 VAL HG12 H 1 0.881 0 . . . . . . . 39 VAL QG1 . 50422 1 442 . 1 . 1 43 43 VAL HG13 H 1 0.881 0 . . . . . . . 39 VAL QG1 . 50422 1 443 . 1 . 1 43 43 VAL HG21 H 1 0.425 0 . . . . . . . 39 VAL QG2 . 50422 1 444 . 1 . 1 43 43 VAL HG22 H 1 0.425 0 . . . . . . . 39 VAL QG2 . 50422 1 445 . 1 . 1 43 43 VAL HG23 H 1 0.425 0 . . . . . . . 39 VAL QG2 . 50422 1 446 . 1 . 1 43 43 VAL C C 13 175.421 0 . . . . . . . 39 VAL C . 50422 1 447 . 1 . 1 43 43 VAL CA C 13 65.627 0 . . . . . . . 39 VAL CA . 50422 1 448 . 1 . 1 43 43 VAL CB C 13 31.022 0 . . . . . . . 39 VAL CB . 50422 1 449 . 1 . 1 43 43 VAL CG1 C 13 24.057 0 . . . . . . . 39 VAL CG1 . 50422 1 450 . 1 . 1 43 43 VAL CG2 C 13 17.151 0 . . . . . . . 39 VAL CG2 . 50422 1 451 . 1 . 1 43 43 VAL N N 15 110.134 0.024 . . . . . . . 39 VAL N . 50422 1 452 . 1 . 1 44 44 TYR H H 1 6.986 0.001 . . . . . . . 40 TYR H . 50422 1 453 . 1 . 1 44 44 TYR HA H 1 4.482 0 . . . . . . . 40 TYR HA . 50422 1 454 . 1 . 1 44 44 TYR HB2 H 1 3.356 0 . . . . . . . 40 TYR HB2 . 50422 1 455 . 1 . 1 44 44 TYR HB3 H 1 2.475 0 . . . . . . . 40 TYR HB3 . 50422 1 456 . 1 . 1 44 44 TYR C C 13 173.123 0 . . . . . . . 40 TYR C . 50422 1 457 . 1 . 1 44 44 TYR CA C 13 58.243 0 . . . . . . . 40 TYR CA . 50422 1 458 . 1 . 1 44 44 TYR CB C 13 38.477 0 . . . . . . . 40 TYR CB . 50422 1 459 . 1 . 1 44 44 TYR N N 15 113.496 0.014 . . . . . . . 40 TYR N . 50422 1 460 . 1 . 1 45 45 LEU H H 1 8.12 0 . . . . . . . 41 LEU H . 50422 1 461 . 1 . 1 45 45 LEU HA H 1 3.42 0 . . . . . . . 41 LEU HA . 50422 1 462 . 1 . 1 45 45 LEU HB2 H 1 1.904 0 . . . . . . . 41 LEU QB . 50422 1 463 . 1 . 1 45 45 LEU HB3 H 1 1.904 0 . . . . . . . 41 LEU QB . 50422 1 464 . 1 . 1 45 45 LEU HG H 1 1.465 0 . . . . . . . 41 LEU HG . 50422 1 465 . 1 . 1 45 45 LEU HD11 H 1 0.6 0 . . . . . . . 41 LEU QD1 . 50422 1 466 . 1 . 1 45 45 LEU HD12 H 1 0.6 0 . . . . . . . 41 LEU QD1 . 50422 1 467 . 1 . 1 45 45 LEU HD13 H 1 0.6 0 . . . . . . . 41 LEU QD1 . 50422 1 468 . 1 . 1 45 45 LEU HD21 H 1 0.676 0 . . . . . . . 41 LEU QD2 . 50422 1 469 . 1 . 1 45 45 LEU HD22 H 1 0.676 0 . . . . . . . 41 LEU QD2 . 50422 1 470 . 1 . 1 45 45 LEU HD23 H 1 0.676 0 . . . . . . . 41 LEU QD2 . 50422 1 471 . 1 . 1 45 45 LEU C C 13 173.676 0 . . . . . . . 41 LEU C . 50422 1 472 . 1 . 1 45 45 LEU CA C 13 54.671 0 . . . . . . . 41 LEU CA . 50422 1 473 . 1 . 1 45 45 LEU CB C 13 40.145 0 . . . . . . . 41 LEU CB . 50422 1 474 . 1 . 1 45 45 LEU CG C 13 26.064 0 . . . . . . . 41 LEU CG . 50422 1 475 . 1 . 1 45 45 LEU CD1 C 13 25.705 0 . . . . . . . 41 LEU CD1 . 50422 1 476 . 1 . 1 45 45 LEU CD2 C 13 22.789 0 . . . . . . . 41 LEU CD2 . 50422 1 477 . 1 . 1 45 45 LEU N N 15 114.471 0.005 . . . . . . . 41 LEU N . 50422 1 478 . 1 . 1 46 46 LYS H H 1 7.954 0.001 . . . . . . . 42 LYS H . 50422 1 479 . 1 . 1 46 46 LYS HA H 1 4.132 0 . . . . . . . 42 LYS HA . 50422 1 480 . 1 . 1 46 46 LYS HB2 H 1 1.716 0 . . . . . . . 42 LYS QB . 50422 1 481 . 1 . 1 46 46 LYS HB3 H 1 1.716 0 . . . . . . . 42 LYS QB . 50422 1 482 . 1 . 1 46 46 LYS HG2 H 1 1.299 0 . . . . . . . 42 LYS QG . 50422 1 483 . 1 . 1 46 46 LYS HG3 H 1 1.299 0 . . . . . . . 42 LYS QG . 50422 1 484 . 1 . 1 46 46 LYS HD2 H 1 1.729 0 . . . . . . . 42 LYS QD . 50422 1 485 . 1 . 1 46 46 LYS HD3 H 1 1.729 0 . . . . . . . 42 LYS QD . 50422 1 486 . 1 . 1 46 46 LYS HE2 H 1 2.997 0 . . . . . . . 42 LYS QE . 50422 1 487 . 1 . 1 46 46 LYS HE3 H 1 2.997 0 . . . . . . . 42 LYS QE . 50422 1 488 . 1 . 1 46 46 LYS C C 13 176.959 0 . . . . . . . 42 LYS C . 50422 1 489 . 1 . 1 46 46 LYS CA C 13 54.332 0 . . . . . . . 42 LYS CA . 50422 1 490 . 1 . 1 46 46 LYS CB C 13 31.724 0 . . . . . . . 42 LYS CB . 50422 1 491 . 1 . 1 46 46 LYS CG C 13 23.725 0 . . . . . . . 42 LYS CG . 50422 1 492 . 1 . 1 46 46 LYS CD C 13 26.267 0 . . . . . . . 42 LYS CD . 50422 1 493 . 1 . 1 46 46 LYS CE C 13 42.768 0 . . . . . . . 42 LYS CE . 50422 1 494 . 1 . 1 46 46 LYS N N 15 115.5 0.047 . . . . . . . 42 LYS N . 50422 1 495 . 1 . 1 47 47 HIS H H 1 9.198 0.001 . . . . . . . 43 HIS H . 50422 1 496 . 1 . 1 47 47 HIS HA H 1 4.796 0 . . . . . . . 43 HIS HA . 50422 1 497 . 1 . 1 47 47 HIS HB2 H 1 2.889 0 . . . . . . . 43 HIS QB . 50422 1 498 . 1 . 1 47 47 HIS HB3 H 1 2.889 0 . . . . . . . 43 HIS QB . 50422 1 499 . 1 . 1 47 47 HIS C C 13 174.809 0 . . . . . . . 43 HIS C . 50422 1 500 . 1 . 1 47 47 HIS CA C 13 54.114 0 . . . . . . . 43 HIS CA . 50422 1 501 . 1 . 1 47 47 HIS CB C 13 28.431 0 . . . . . . . 43 HIS CB . 50422 1 502 . 1 . 1 47 47 HIS N N 15 130.32 0.02 . . . . . . . 43 HIS N . 50422 1 503 . 1 . 1 48 48 GLY H H 1 7.978 0.001 . . . . . . . 44 GLY H . 50422 1 504 . 1 . 1 48 48 GLY HA2 H 1 4.292 0.012 . . . . . . . 44 GLY HA2 . 50422 1 505 . 1 . 1 48 48 GLY HA3 H 1 3.714 0.004 . . . . . . . 44 GLY HA3 . 50422 1 506 . 1 . 1 48 48 GLY C C 13 174.43 0 . . . . . . . 44 GLY C . 50422 1 507 . 1 . 1 48 48 GLY CA C 13 46.196 0 . . . . . . . 44 GLY CA . 50422 1 508 . 1 . 1 48 48 GLY N N 15 109.299 0.019 . . . . . . . 44 GLY N . 50422 1 509 . 1 . 1 49 49 GLY H H 1 8.101 0 . . . . . . . 45 GLY H . 50422 1 510 . 1 . 1 49 49 GLY HA2 H 1 4.421 0.009 . . . . . . . 45 GLY HA2 . 50422 1 511 . 1 . 1 49 49 GLY HA3 H 1 4.118 0 . . . . . . . 45 GLY HA3 . 50422 1 512 . 1 . 1 49 49 GLY C C 13 174.036 0 . . . . . . . 45 GLY C . 50422 1 513 . 1 . 1 49 49 GLY CA C 13 44.387 0 . . . . . . . 45 GLY CA . 50422 1 514 . 1 . 1 49 49 GLY N N 15 108.461 0.004 . . . . . . . 45 GLY N . 50422 1 515 . 1 . 1 50 50 GLY H H 1 8.805 0.001 . . . . . . . 46 GLY H . 50422 1 516 . 1 . 1 50 50 GLY HA2 H 1 4.22 0 . . . . . . . 46 GLY HA2 . 50422 1 517 . 1 . 1 50 50 GLY HA3 H 1 4.107 0 . . . . . . . 46 GLY HA3 . 50422 1 518 . 1 . 1 50 50 GLY C C 13 175.232 0 . . . . . . . 46 GLY C . 50422 1 519 . 1 . 1 50 50 GLY CA C 13 46.347 0 . . . . . . . 46 GLY CA . 50422 1 520 . 1 . 1 50 50 GLY N N 15 108.351 0.01 . . . . . . . 46 GLY N . 50422 1 521 . 1 . 1 51 51 VAL H H 1 8.584 0.001 . . . . . . . 47 VAL H . 50422 1 522 . 1 . 1 51 51 VAL HA H 1 3.851 0 . . . . . . . 47 VAL HA . 50422 1 523 . 1 . 1 51 51 VAL HB H 1 2.24 0 . . . . . . . 47 VAL HB . 50422 1 524 . 1 . 1 51 51 VAL HG11 H 1 1.29 0 . . . . . . . 47 VAL QG1 . 50422 1 525 . 1 . 1 51 51 VAL HG12 H 1 1.29 0 . . . . . . . 47 VAL QG1 . 50422 1 526 . 1 . 1 51 51 VAL HG13 H 1 1.29 0 . . . . . . . 47 VAL QG1 . 50422 1 527 . 1 . 1 51 51 VAL HG21 H 1 1.189 0 . . . . . . . 47 VAL QG2 . 50422 1 528 . 1 . 1 51 51 VAL HG22 H 1 1.189 0 . . . . . . . 47 VAL QG2 . 50422 1 529 . 1 . 1 51 51 VAL HG23 H 1 1.189 0 . . . . . . . 47 VAL QG2 . 50422 1 530 . 1 . 1 51 51 VAL C C 13 176.591 0 . . . . . . . 47 VAL C . 50422 1 531 . 1 . 1 51 51 VAL CA C 13 66.242 0 . . . . . . . 47 VAL CA . 50422 1 532 . 1 . 1 51 51 VAL CB C 13 32.657 0 . . . . . . . 47 VAL CB . 50422 1 533 . 1 . 1 51 51 VAL CG1 C 13 22.666 0 . . . . . . . 47 VAL CG1 . 50422 1 534 . 1 . 1 51 51 VAL CG2 C 13 21.012 0 . . . . . . . 47 VAL CG2 . 50422 1 535 . 1 . 1 51 51 VAL N N 15 126.338 0.01 . . . . . . . 47 VAL N . 50422 1 536 . 1 . 1 52 52 ALA H H 1 8.932 0.001 . . . . . . . 48 ALA H . 50422 1 537 . 1 . 1 52 52 ALA HA H 1 4.569 0.002 . . . . . . . 48 ALA HA . 50422 1 538 . 1 . 1 52 52 ALA HB1 H 1 1.911 0.006 . . . . . . . 48 ALA HB . 50422 1 539 . 1 . 1 52 52 ALA HB2 H 1 1.911 0.006 . . . . . . . 48 ALA HB . 50422 1 540 . 1 . 1 52 52 ALA HB3 H 1 1.911 0.006 . . . . . . . 48 ALA HB . 50422 1 541 . 1 . 1 52 52 ALA C C 13 180.877 0 . . . . . . . 48 ALA C . 50422 1 542 . 1 . 1 52 52 ALA CA C 13 55.525 0 . . . . . . . 48 ALA CA . 50422 1 543 . 1 . 1 52 52 ALA CB C 13 19.206 0 . . . . . . . 48 ALA CB . 50422 1 544 . 1 . 1 52 52 ALA N N 15 123.099 0.012 . . . . . . . 48 ALA N . 50422 1 545 . 1 . 1 53 53 GLY H H 1 7.764 0 . . . . . . . 49 GLY H . 50422 1 546 . 1 . 1 53 53 GLY HA2 H 1 3.454 0 . . . . . . . 49 GLY HA2 . 50422 1 547 . 1 . 1 53 53 GLY HA3 H 1 3.847 0 . . . . . . . 49 GLY HA3 . 50422 1 548 . 1 . 1 53 53 GLY C C 13 176.399 0 . . . . . . . 49 GLY C . 50422 1 549 . 1 . 1 53 53 GLY CA C 13 46.644 0 . . . . . . . 49 GLY CA . 50422 1 550 . 1 . 1 53 53 GLY N N 15 104.244 0.007 . . . . . . . 49 GLY N . 50422 1 551 . 1 . 1 54 54 ALA H H 1 7.664 0.001 . . . . . . . 50 ALA H . 50422 1 552 . 1 . 1 54 54 ALA HA H 1 4.175 0.01 . . . . . . . 50 ALA HA . 50422 1 553 . 1 . 1 54 54 ALA HB1 H 1 1.542 0.002 . . . . . . . 50 ALA HB . 50422 1 554 . 1 . 1 54 54 ALA HB2 H 1 1.542 0.002 . . . . . . . 50 ALA HB . 50422 1 555 . 1 . 1 54 54 ALA HB3 H 1 1.542 0.002 . . . . . . . 50 ALA HB . 50422 1 556 . 1 . 1 54 54 ALA C C 13 181.396 0 . . . . . . . 50 ALA C . 50422 1 557 . 1 . 1 54 54 ALA CA C 13 55.333 0 . . . . . . . 50 ALA CA . 50422 1 558 . 1 . 1 54 54 ALA CB C 13 18.262 0 . . . . . . . 50 ALA CB . 50422 1 559 . 1 . 1 54 54 ALA N N 15 125.958 0.052 . . . . . . . 50 ALA N . 50422 1 560 . 1 . 1 55 55 LEU H H 1 8.981 0.001 . . . . . . . 51 LEU H . 50422 1 561 . 1 . 1 55 55 LEU HA H 1 3.841 0 . . . . . . . 51 LEU HA . 50422 1 562 . 1 . 1 55 55 LEU HB2 H 1 1.798 0 . . . . . . . 51 LEU QB . 50422 1 563 . 1 . 1 55 55 LEU HB3 H 1 1.798 0 . . . . . . . 51 LEU QB . 50422 1 564 . 1 . 1 55 55 LEU HG H 1 1.576 0 . . . . . . . 51 LEU HG . 50422 1 565 . 1 . 1 55 55 LEU HD11 H 1 0.612 0 . . . . . . . 51 LEU QD1 . 50422 1 566 . 1 . 1 55 55 LEU HD12 H 1 0.612 0 . . . . . . . 51 LEU QD1 . 50422 1 567 . 1 . 1 55 55 LEU HD13 H 1 0.612 0 . . . . . . . 51 LEU QD1 . 50422 1 568 . 1 . 1 55 55 LEU HD21 H 1 0.621 0 . . . . . . . 51 LEU QD2 . 50422 1 569 . 1 . 1 55 55 LEU HD22 H 1 0.621 0 . . . . . . . 51 LEU QD2 . 50422 1 570 . 1 . 1 55 55 LEU HD23 H 1 0.621 0 . . . . . . . 51 LEU QD2 . 50422 1 571 . 1 . 1 55 55 LEU C C 13 178.588 0 . . . . . . . 51 LEU C . 50422 1 572 . 1 . 1 55 55 LEU CA C 13 58.306 0 . . . . . . . 51 LEU CA . 50422 1 573 . 1 . 1 55 55 LEU CB C 13 41.48 0 . . . . . . . 51 LEU CB . 50422 1 574 . 1 . 1 55 55 LEU CG C 13 25.625 0 . . . . . . . 51 LEU CG . 50422 1 575 . 1 . 1 55 55 LEU CD1 C 13 22.31 0 . . . . . . . 51 LEU CD1 . 50422 1 576 . 1 . 1 55 55 LEU CD2 C 13 23.348 0 . . . . . . . 51 LEU CD2 . 50422 1 577 . 1 . 1 55 55 LEU N N 15 120.853 0.034 . . . . . . . 51 LEU N . 50422 1 578 . 1 . 1 56 56 ASN H H 1 8.595 0 . . . . . . . 52 ASN H . 50422 1 579 . 1 . 1 56 56 ASN HA H 1 4.415 0 . . . . . . . 52 ASN HA . 50422 1 580 . 1 . 1 56 56 ASN HB2 H 1 2.895 0 . . . . . . . 52 ASN HB2 . 50422 1 581 . 1 . 1 56 56 ASN HB3 H 1 2.65 0 . . . . . . . 52 ASN HB3 . 50422 1 582 . 1 . 1 56 56 ASN C C 13 181.282 0 . . . . . . . 52 ASN C . 50422 1 583 . 1 . 1 56 56 ASN CA C 13 58.065 0 . . . . . . . 52 ASN CA . 50422 1 584 . 1 . 1 56 56 ASN CB C 13 40.074 0 . . . . . . . 52 ASN CB . 50422 1 585 . 1 . 1 56 56 ASN N N 15 114.757 0.031 . . . . . . . 52 ASN N . 50422 1 586 . 1 . 1 57 57 LYS H H 1 8.759 0 . . . . . . . 53 LYS H . 50422 1 587 . 1 . 1 57 57 LYS HA H 1 4.187 0 . . . . . . . 53 LYS HA . 50422 1 588 . 1 . 1 57 57 LYS HB2 H 1 2.042 0 . . . . . . . 53 LYS QB . 50422 1 589 . 1 . 1 57 57 LYS HB3 H 1 2.042 0 . . . . . . . 53 LYS QB . 50422 1 590 . 1 . 1 57 57 LYS HG2 H 1 1.466 0 . . . . . . . 53 LYS QG . 50422 1 591 . 1 . 1 57 57 LYS HG3 H 1 1.466 0 . . . . . . . 53 LYS QG . 50422 1 592 . 1 . 1 57 57 LYS HD2 H 1 1.732 0 . . . . . . . 53 LYS QD . 50422 1 593 . 1 . 1 57 57 LYS HD3 H 1 1.732 0 . . . . . . . 53 LYS QD . 50422 1 594 . 1 . 1 57 57 LYS HE2 H 1 3.179 0 . . . . . . . 53 LYS QE . 50422 1 595 . 1 . 1 57 57 LYS HE3 H 1 3.179 0 . . . . . . . 53 LYS QE . 50422 1 596 . 1 . 1 57 57 LYS C C 13 180.246 0 . . . . . . . 53 LYS C . 50422 1 597 . 1 . 1 57 57 LYS CA C 13 60.067 0 . . . . . . . 53 LYS CA . 50422 1 598 . 1 . 1 57 57 LYS CB C 13 32.035 0 . . . . . . . 53 LYS CB . 50422 1 599 . 1 . 1 57 57 LYS CG C 13 24.987 0 . . . . . . . 53 LYS CG . 50422 1 600 . 1 . 1 57 57 LYS CD C 13 29.203 0 . . . . . . . 53 LYS CD . 50422 1 601 . 1 . 1 57 57 LYS CE C 13 40.025 0 . . . . . . . 53 LYS CE . 50422 1 602 . 1 . 1 57 57 LYS N N 15 123.721 0.025 . . . . . . . 53 LYS N . 50422 1 603 . 1 . 1 58 58 ALA H H 1 7.814 0.001 . . . . . . . 54 ALA H . 50422 1 604 . 1 . 1 58 58 ALA HA H 1 4.334 0.006 . . . . . . . 54 ALA HA . 50422 1 605 . 1 . 1 58 58 ALA HB1 H 1 1.643 0.012 . . . . . . . 54 ALA HB . 50422 1 606 . 1 . 1 58 58 ALA HB2 H 1 1.643 0.012 . . . . . . . 54 ALA HB . 50422 1 607 . 1 . 1 58 58 ALA HB3 H 1 1.643 0.012 . . . . . . . 54 ALA HB . 50422 1 608 . 1 . 1 58 58 ALA C C 13 178.753 0 . . . . . . . 54 ALA C . 50422 1 609 . 1 . 1 58 58 ALA CA C 13 54.701 0 . . . . . . . 54 ALA CA . 50422 1 610 . 1 . 1 58 58 ALA CB C 13 19.302 0 . . . . . . . 54 ALA CB . 50422 1 611 . 1 . 1 58 58 ALA N N 15 122.472 0.024 . . . . . . . 54 ALA N . 50422 1 612 . 1 . 1 59 59 THR H H 1 7.636 0 . . . . . . . 55 THR H . 50422 1 613 . 1 . 1 59 59 THR HA H 1 5.24 0.009 . . . . . . . 55 THR HA . 50422 1 614 . 1 . 1 59 59 THR HB H 1 4.429 0.009 . . . . . . . 55 THR HB . 50422 1 615 . 1 . 1 59 59 THR HG21 H 1 1.445 0 . . . . . . . 55 THR QG2 . 50422 1 616 . 1 . 1 59 59 THR HG22 H 1 1.445 0 . . . . . . . 55 THR QG2 . 50422 1 617 . 1 . 1 59 59 THR HG23 H 1 1.445 0 . . . . . . . 55 THR QG2 . 50422 1 618 . 1 . 1 59 59 THR C C 13 176.076 0 . . . . . . . 55 THR C . 50422 1 619 . 1 . 1 59 59 THR CA C 13 61.391 0 . . . . . . . 55 THR CA . 50422 1 620 . 1 . 1 59 59 THR CB C 13 71.182 0 . . . . . . . 55 THR CB . 50422 1 621 . 1 . 1 59 59 THR CG2 C 13 21.209 0 . . . . . . . 55 THR CG2 . 50422 1 622 . 1 . 1 59 59 THR N N 15 107.47 0.016 . . . . . . . 55 THR N . 50422 1 623 . 1 . 1 60 60 ASN H H 1 8.591 0.001 . . . . . . . 56 ASN H . 50422 1 624 . 1 . 1 60 60 ASN HA H 1 4.489 0.002 . . . . . . . 56 ASN HA . 50422 1 625 . 1 . 1 60 60 ASN HB2 H 1 3.163 0 . . . . . . . 56 ASN HB2 . 50422 1 626 . 1 . 1 60 60 ASN HB3 H 1 2.855 0 . . . . . . . 56 ASN HB3 . 50422 1 627 . 1 . 1 60 60 ASN C C 13 175.548 0 . . . . . . . 56 ASN C . 50422 1 628 . 1 . 1 60 60 ASN CA C 13 54.75 0 . . . . . . . 56 ASN CA . 50422 1 629 . 1 . 1 60 60 ASN CB C 13 36.766 0 . . . . . . . 56 ASN CB . 50422 1 630 . 1 . 1 60 60 ASN N N 15 122.282 0.028 . . . . . . . 56 ASN N . 50422 1 631 . 1 . 1 61 61 ASN H H 1 7.561 0.001 . . . . . . . 57 ASN H . 50422 1 632 . 1 . 1 61 61 ASN HA H 1 4.608 0 . . . . . . . 57 ASN HA . 50422 1 633 . 1 . 1 61 61 ASN HB2 H 1 3.319 0 . . . . . . . 57 ASN HB2 . 50422 1 634 . 1 . 1 61 61 ASN HB3 H 1 2.735 0 . . . . . . . 57 ASN HB3 . 50422 1 635 . 1 . 1 61 61 ASN C C 13 174.488 0 . . . . . . . 57 ASN C . 50422 1 636 . 1 . 1 61 61 ASN CA C 13 54.917 0 . . . . . . . 57 ASN CA . 50422 1 637 . 1 . 1 61 61 ASN CB C 13 40.063 0 . . . . . . . 57 ASN CB . 50422 1 638 . 1 . 1 61 61 ASN N N 15 110.231 0.015 . . . . . . . 57 ASN N . 50422 1 639 . 1 . 1 62 62 ALA H H 1 7.639 0 . . . . . . . 58 ALA H . 50422 1 640 . 1 . 1 62 62 ALA HA H 1 3.995 0 . . . . . . . 58 ALA HA . 50422 1 641 . 1 . 1 62 62 ALA HB1 H 1 1.255 0 . . . . . . . 58 ALA HB . 50422 1 642 . 1 . 1 62 62 ALA HB2 H 1 1.255 0 . . . . . . . 58 ALA HB . 50422 1 643 . 1 . 1 62 62 ALA HB3 H 1 1.255 0 . . . . . . . 58 ALA HB . 50422 1 644 . 1 . 1 62 62 ALA C C 13 180.852 0 . . . . . . . 58 ALA C . 50422 1 645 . 1 . 1 62 62 ALA CA C 13 55.125 0 . . . . . . . 58 ALA CA . 50422 1 646 . 1 . 1 62 62 ALA CB C 13 18.44 0 . . . . . . . 58 ALA CB . 50422 1 647 . 1 . 1 62 62 ALA N N 15 124.243 0.022 . . . . . . . 58 ALA N . 50422 1 648 . 1 . 1 63 63 MET H H 1 8.186 0.004 . . . . . . . 59 MET H . 50422 1 649 . 1 . 1 63 63 MET HA H 1 4.03 0 . . . . . . . 59 MET HA . 50422 1 650 . 1 . 1 63 63 MET HB2 H 1 2.486 0 . . . . . . . 59 MET QB . 50422 1 651 . 1 . 1 63 63 MET HB3 H 1 2.486 0 . . . . . . . 59 MET QB . 50422 1 652 . 1 . 1 63 63 MET HG2 H 1 3.02 0 . . . . . . . 59 MET QG . 50422 1 653 . 1 . 1 63 63 MET HG3 H 1 3.02 0 . . . . . . . 59 MET QG . 50422 1 654 . 1 . 1 63 63 MET C C 13 179.244 0 . . . . . . . 59 MET C . 50422 1 655 . 1 . 1 63 63 MET CA C 13 59.496 0 . . . . . . . 59 MET CA . 50422 1 656 . 1 . 1 63 63 MET CB C 13 33.641 0 . . . . . . . 59 MET CB . 50422 1 657 . 1 . 1 63 63 MET CG C 13 30.848 0 . . . . . . . 59 MET CG . 50422 1 658 . 1 . 1 63 63 MET N N 15 116.306 0.008 . . . . . . . 59 MET N . 50422 1 659 . 1 . 1 64 64 GLN H H 1 8.154 0.001 . . . . . . . 60 GLN H . 50422 1 660 . 1 . 1 64 64 GLN HA H 1 4.16 0 . . . . . . . 60 GLN HA . 50422 1 661 . 1 . 1 64 64 GLN HB2 H 1 2.258 0 . . . . . . . 60 GLN QB . 50422 1 662 . 1 . 1 64 64 GLN HB3 H 1 2.258 0 . . . . . . . 60 GLN QB . 50422 1 663 . 1 . 1 64 64 GLN HG2 H 1 2.448 0 . . . . . . . 60 GLN QG . 50422 1 664 . 1 . 1 64 64 GLN HG3 H 1 2.448 0 . . . . . . . 60 GLN QG . 50422 1 665 . 1 . 1 64 64 GLN C C 13 177.086 0 . . . . . . . 60 GLN C . 50422 1 666 . 1 . 1 64 64 GLN CA C 13 58.347 0 . . . . . . . 60 GLN CA . 50422 1 667 . 1 . 1 64 64 GLN CB C 13 29.818 0 . . . . . . . 60 GLN CB . 50422 1 668 . 1 . 1 64 64 GLN CG C 13 33.641 0 . . . . . . . 60 GLN CG . 50422 1 669 . 1 . 1 64 64 GLN N N 15 125.232 0.006 . . . . . . . 60 GLN N . 50422 1 670 . 1 . 1 65 65 VAL H H 1 7.825 0.001 . . . . . . . 61 VAL H . 50422 1 671 . 1 . 1 65 65 VAL HA H 1 3.842 0 . . . . . . . 61 VAL HA . 50422 1 672 . 1 . 1 65 65 VAL HB H 1 2.111 0 . . . . . . . 61 VAL HB . 50422 1 673 . 1 . 1 65 65 VAL HG11 H 1 1.138 0 . . . . . . . 61 VAL QG1 . 50422 1 674 . 1 . 1 65 65 VAL HG12 H 1 1.138 0 . . . . . . . 61 VAL QG1 . 50422 1 675 . 1 . 1 65 65 VAL HG13 H 1 1.138 0 . . . . . . . 61 VAL QG1 . 50422 1 676 . 1 . 1 65 65 VAL HG21 H 1 1.041 0 . . . . . . . 61 VAL QG2 . 50422 1 677 . 1 . 1 65 65 VAL HG22 H 1 1.041 0 . . . . . . . 61 VAL QG2 . 50422 1 678 . 1 . 1 65 65 VAL HG23 H 1 1.041 0 . . . . . . . 61 VAL QG2 . 50422 1 679 . 1 . 1 65 65 VAL C C 13 178.967 0 . . . . . . . 61 VAL C . 50422 1 680 . 1 . 1 65 65 VAL CA C 13 66.911 0 . . . . . . . 61 VAL CA . 50422 1 681 . 1 . 1 65 65 VAL CB C 13 32.309 0 . . . . . . . 61 VAL CB . 50422 1 682 . 1 . 1 65 65 VAL CG1 C 13 22.655 0 . . . . . . . 61 VAL CG1 . 50422 1 683 . 1 . 1 65 65 VAL CG2 C 13 21.151 0 . . . . . . . 61 VAL CG2 . 50422 1 684 . 1 . 1 65 65 VAL N N 15 120.98 0 . . . . . . . 61 VAL N . 50422 1 685 . 1 . 1 66 66 GLU H H 1 7.883 0.001 . . . . . . . 62 GLU H . 50422 1 686 . 1 . 1 66 66 GLU HA H 1 4.34 0 . . . . . . . 62 GLU HA . 50422 1 687 . 1 . 1 66 66 GLU HB2 H 1 2.279 0 . . . . . . . 62 GLU QB . 50422 1 688 . 1 . 1 66 66 GLU HB3 H 1 2.279 0 . . . . . . . 62 GLU QB . 50422 1 689 . 1 . 1 66 66 GLU HG2 H 1 2.158 0 . . . . . . . 62 GLU QG . 50422 1 690 . 1 . 1 66 66 GLU HG3 H 1 2.158 0 . . . . . . . 62 GLU QG . 50422 1 691 . 1 . 1 66 66 GLU C C 13 180.193 0 . . . . . . . 62 GLU C . 50422 1 692 . 1 . 1 66 66 GLU CA C 13 58.907 0 . . . . . . . 62 GLU CA . 50422 1 693 . 1 . 1 66 66 GLU CB C 13 30.506 0 . . . . . . . 62 GLU CB . 50422 1 694 . 1 . 1 66 66 GLU CG C 13 36.462 0 . . . . . . . 62 GLU CG . 50422 1 695 . 1 . 1 66 66 GLU N N 15 120.312 0.016 . . . . . . . 62 GLU N . 50422 1 696 . 1 . 1 67 67 SER H H 1 8.484 0.002 . . . . . . . 63 SER H . 50422 1 697 . 1 . 1 67 67 SER HA H 1 4.2 0 . . . . . . . 63 SER HA . 50422 1 698 . 1 . 1 67 67 SER C C 13 174.333 0 . . . . . . . 63 SER C . 50422 1 699 . 1 . 1 67 67 SER CA C 13 62.85 0 . . . . . . . 63 SER CA . 50422 1 700 . 1 . 1 67 67 SER N N 15 117.572 0 . . . . . . . 63 SER N . 50422 1 701 . 1 . 1 68 68 ASP H H 1 8.899 0.001 . . . . . . . 64 ASP H . 50422 1 702 . 1 . 1 68 68 ASP HA H 1 4.432 0 . . . . . . . 64 ASP HA . 50422 1 703 . 1 . 1 68 68 ASP HB2 H 1 2.862 0 . . . . . . . 64 ASP HB2 . 50422 1 704 . 1 . 1 68 68 ASP HB3 H 1 2.718 0 . . . . . . . 64 ASP HB3 . 50422 1 705 . 1 . 1 68 68 ASP C C 13 179.739 0 . . . . . . . 64 ASP C . 50422 1 706 . 1 . 1 68 68 ASP CA C 13 57.545 0 . . . . . . . 64 ASP CA . 50422 1 707 . 1 . 1 68 68 ASP CB C 13 39.454 0 . . . . . . . 64 ASP CB . 50422 1 708 . 1 . 1 68 68 ASP N N 15 123.403 0.02 . . . . . . . 64 ASP N . 50422 1 709 . 1 . 1 69 69 ASP H H 1 7.51 0.001 . . . . . . . 65 ASP H . 50422 1 710 . 1 . 1 69 69 ASP HA H 1 4.542 0 . . . . . . . 65 ASP HA . 50422 1 711 . 1 . 1 69 69 ASP HB2 H 1 2.875 0 . . . . . . . 65 ASP QB . 50422 1 712 . 1 . 1 69 69 ASP HB3 H 1 2.875 0 . . . . . . . 65 ASP QB . 50422 1 713 . 1 . 1 69 69 ASP C C 13 177.881 0 . . . . . . . 65 ASP C . 50422 1 714 . 1 . 1 69 69 ASP CA C 13 57.601 0 . . . . . . . 65 ASP CA . 50422 1 715 . 1 . 1 69 69 ASP CB C 13 41.079 0 . . . . . . . 65 ASP CB . 50422 1 716 . 1 . 1 69 69 ASP N N 15 121.342 0.011 . . . . . . . 65 ASP N . 50422 1 717 . 1 . 1 70 70 TYR H H 1 8.206 0.002 . . . . . . . 66 TYR H . 50422 1 718 . 1 . 1 70 70 TYR HA H 1 4.109 0 . . . . . . . 66 TYR HA . 50422 1 719 . 1 . 1 70 70 TYR HB2 H 1 3.282 0 . . . . . . . 66 TYR QB . 50422 1 720 . 1 . 1 70 70 TYR HB3 H 1 3.282 0 . . . . . . . 66 TYR QB . 50422 1 721 . 1 . 1 70 70 TYR C C 13 178.751 0 . . . . . . . 66 TYR C . 50422 1 722 . 1 . 1 70 70 TYR CA C 13 62.872 0 . . . . . . . 66 TYR CA . 50422 1 723 . 1 . 1 70 70 TYR CB C 13 38.018 0 . . . . . . . 66 TYR CB . 50422 1 724 . 1 . 1 70 70 TYR N N 15 122.647 0.034 . . . . . . . 66 TYR N . 50422 1 725 . 1 . 1 71 71 ILE H H 1 8.852 0.002 . . . . . . . 67 ILE H . 50422 1 726 . 1 . 1 71 71 ILE HA H 1 3.732 0 . . . . . . . 67 ILE HA . 50422 1 727 . 1 . 1 71 71 ILE HB H 1 2.31 0 . . . . . . . 67 ILE HB . 50422 1 728 . 1 . 1 71 71 ILE HG12 H 1 1.6 0 . . . . . . . 67 ILE HG12 . 50422 1 729 . 1 . 1 71 71 ILE HG13 H 1 1.936 0 . . . . . . . 67 ILE HG13 . 50422 1 730 . 1 . 1 71 71 ILE HG21 H 1 0.895 0 . . . . . . . 67 ILE QG2 . 50422 1 731 . 1 . 1 71 71 ILE HG22 H 1 0.895 0 . . . . . . . 67 ILE QG2 . 50422 1 732 . 1 . 1 71 71 ILE HG23 H 1 0.895 0 . . . . . . . 67 ILE QG2 . 50422 1 733 . 1 . 1 71 71 ILE HD11 H 1 0.796 0 . . . . . . . 67 ILE QD1 . 50422 1 734 . 1 . 1 71 71 ILE HD12 H 1 0.796 0 . . . . . . . 67 ILE QD1 . 50422 1 735 . 1 . 1 71 71 ILE HD13 H 1 0.796 0 . . . . . . . 67 ILE QD1 . 50422 1 736 . 1 . 1 71 71 ILE C C 13 179.803 0 . . . . . . . 67 ILE C . 50422 1 737 . 1 . 1 71 71 ILE CA C 13 61.002 0 . . . . . . . 67 ILE CA . 50422 1 738 . 1 . 1 71 71 ILE CB C 13 35.607 0 . . . . . . . 67 ILE CB . 50422 1 739 . 1 . 1 71 71 ILE CG1 C 13 26.046 0 . . . . . . . 67 ILE CG1 . 50422 1 740 . 1 . 1 71 71 ILE CG2 C 13 16.775 0 . . . . . . . 67 ILE CG2 . 50422 1 741 . 1 . 1 71 71 ILE CD1 C 13 8.925 0 . . . . . . . 67 ILE CD1 . 50422 1 742 . 1 . 1 71 71 ILE N N 15 122.701 0.031 . . . . . . . 67 ILE N . 50422 1 743 . 1 . 1 72 72 ALA H H 1 8.207 0 . . . . . . . 68 ALA H . 50422 1 744 . 1 . 1 72 72 ALA HA H 1 4.133 0.006 . . . . . . . 68 ALA HA . 50422 1 745 . 1 . 1 72 72 ALA HB1 H 1 1.589 0.008 . . . . . . . 68 ALA HB . 50422 1 746 . 1 . 1 72 72 ALA HB2 H 1 1.589 0.008 . . . . . . . 68 ALA HB . 50422 1 747 . 1 . 1 72 72 ALA HB3 H 1 1.589 0.008 . . . . . . . 68 ALA HB . 50422 1 748 . 1 . 1 72 72 ALA C C 13 179.399 0 . . . . . . . 68 ALA C . 50422 1 749 . 1 . 1 72 72 ALA CA C 13 55.432 0 . . . . . . . 68 ALA CA . 50422 1 750 . 1 . 1 72 72 ALA CB C 13 18.077 0 . . . . . . . 68 ALA CB . 50422 1 751 . 1 . 1 72 72 ALA N N 15 123.581 0.015 . . . . . . . 68 ALA N . 50422 1 752 . 1 . 1 73 73 THR H H 1 7.485 0.001 . . . . . . . 69 THR H . 50422 1 753 . 1 . 1 73 73 THR HA H 1 4.087 0 . . . . . . . 69 THR HA . 50422 1 754 . 1 . 1 73 73 THR HB H 1 4.026 0 . . . . . . . 69 THR HB . 50422 1 755 . 1 . 1 73 73 THR HG21 H 1 1.144 0 . . . . . . . 69 THR QG2 . 50422 1 756 . 1 . 1 73 73 THR HG22 H 1 1.144 0 . . . . . . . 69 THR QG2 . 50422 1 757 . 1 . 1 73 73 THR HG23 H 1 1.144 0 . . . . . . . 69 THR QG2 . 50422 1 758 . 1 . 1 73 73 THR C C 13 175.239 0 . . . . . . . 69 THR C . 50422 1 759 . 1 . 1 73 73 THR CA C 13 65.049 0 . . . . . . . 69 THR CA . 50422 1 760 . 1 . 1 73 73 THR CB C 13 69.821 0 . . . . . . . 69 THR CB . 50422 1 761 . 1 . 1 73 73 THR CG2 C 13 21.365 0 . . . . . . . 69 THR CG2 . 50422 1 762 . 1 . 1 73 73 THR N N 15 110.335 0.003 . . . . . . . 69 THR N . 50422 1 763 . 1 . 1 74 74 ASN H H 1 8.373 0.001 . . . . . . . 70 ASN H . 50422 1 764 . 1 . 1 74 74 ASN HA H 1 4.658 0 . . . . . . . 70 ASN HA . 50422 1 765 . 1 . 1 74 74 ASN HB2 H 1 1.824 0 . . . . . . . 70 ASN HB2 . 50422 1 766 . 1 . 1 74 74 ASN HB3 H 1 2.47 0 . . . . . . . 70 ASN HB3 . 50422 1 767 . 1 . 1 74 74 ASN C C 13 175.855 0 . . . . . . . 70 ASN C . 50422 1 768 . 1 . 1 74 74 ASN CA C 13 55.204 0 . . . . . . . 70 ASN CA . 50422 1 769 . 1 . 1 74 74 ASN CB C 13 41.228 0 . . . . . . . 70 ASN CB . 50422 1 770 . 1 . 1 74 74 ASN N N 15 117.301 0.011 . . . . . . . 70 ASN N . 50422 1 771 . 1 . 1 75 75 GLY H H 1 8.363 0.002 . . . . . . . 71 GLY H . 50422 1 772 . 1 . 1 75 75 GLY HA2 H 1 4.371 0 . . . . . . . 71 GLY HA2 . 50422 1 773 . 1 . 1 75 75 GLY HA3 H 1 3.959 0 . . . . . . . 71 GLY HA3 . 50422 1 774 . 1 . 1 75 75 GLY C C 13 169.42 0 . . . . . . . 71 GLY C . 50422 1 775 . 1 . 1 75 75 GLY CA C 13 44.598 0 . . . . . . . 71 GLY CA . 50422 1 776 . 1 . 1 75 75 GLY N N 15 110.57 0.005 . . . . . . . 71 GLY N . 50422 1 777 . 1 . 1 76 76 PRO HA H 1 4.472 0 . . . . . . . 72 PRO HA . 50422 1 778 . 1 . 1 76 76 PRO HB2 H 1 1.476 0 . . . . . . . 72 PRO HB2 . 50422 1 779 . 1 . 1 76 76 PRO HB3 H 1 1.644 0 . . . . . . . 72 PRO HB3 . 50422 1 780 . 1 . 1 76 76 PRO HG2 H 1 1.894 0 . . . . . . . 72 PRO QG . 50422 1 781 . 1 . 1 76 76 PRO HG3 H 1 1.894 0 . . . . . . . 72 PRO QG . 50422 1 782 . 1 . 1 76 76 PRO HD2 H 1 3.628 0 . . . . . . . 72 PRO QD . 50422 1 783 . 1 . 1 76 76 PRO HD3 H 1 3.628 0 . . . . . . . 72 PRO QD . 50422 1 784 . 1 . 1 76 76 PRO C C 13 177.907 0 . . . . . . . 72 PRO C . 50422 1 785 . 1 . 1 76 76 PRO CA C 13 62.674 0 . . . . . . . 72 PRO CA . 50422 1 786 . 1 . 1 76 76 PRO CB C 13 31.956 0 . . . . . . . 72 PRO CB . 50422 1 787 . 1 . 1 76 76 PRO CG C 13 27.107 0 . . . . . . . 72 PRO CG . 50422 1 788 . 1 . 1 76 76 PRO CD C 13 49.395 0 . . . . . . . 72 PRO CD . 50422 1 789 . 1 . 1 77 77 LEU H H 1 8.401 0.002 . . . . . . . 73 LEU H . 50422 1 790 . 1 . 1 77 77 LEU HA H 1 4.376 0 . . . . . . . 73 LEU HA . 50422 1 791 . 1 . 1 77 77 LEU HB2 H 1 1.598 0 . . . . . . . 73 LEU QB . 50422 1 792 . 1 . 1 77 77 LEU HB3 H 1 1.598 0 . . . . . . . 73 LEU QB . 50422 1 793 . 1 . 1 77 77 LEU HG H 1 1.521 0 . . . . . . . 73 LEU HG . 50422 1 794 . 1 . 1 77 77 LEU HD11 H 1 0.678 0 . . . . . . . 73 LEU QD1 . 50422 1 795 . 1 . 1 77 77 LEU HD12 H 1 0.678 0 . . . . . . . 73 LEU QD1 . 50422 1 796 . 1 . 1 77 77 LEU HD13 H 1 0.678 0 . . . . . . . 73 LEU QD1 . 50422 1 797 . 1 . 1 77 77 LEU HD21 H 1 0.679 0 . . . . . . . 73 LEU QD2 . 50422 1 798 . 1 . 1 77 77 LEU HD22 H 1 0.679 0 . . . . . . . 73 LEU QD2 . 50422 1 799 . 1 . 1 77 77 LEU HD23 H 1 0.679 0 . . . . . . . 73 LEU QD2 . 50422 1 800 . 1 . 1 77 77 LEU C C 13 174.868 0 . . . . . . . 73 LEU C . 50422 1 801 . 1 . 1 77 77 LEU CA C 13 55.347 0 . . . . . . . 73 LEU CA . 50422 1 802 . 1 . 1 77 77 LEU CB C 13 44.137 0 . . . . . . . 73 LEU CB . 50422 1 803 . 1 . 1 77 77 LEU CG C 13 26.34 0 . . . . . . . 73 LEU CG . 50422 1 804 . 1 . 1 77 77 LEU CD1 C 13 23.098 0 . . . . . . . 73 LEU CD1 . 50422 1 805 . 1 . 1 77 77 LEU CD2 C 13 22.455 0 . . . . . . . 73 LEU CD2 . 50422 1 806 . 1 . 1 77 77 LEU N N 15 121.011 0 . . . . . . . 73 LEU N . 50422 1 807 . 1 . 1 78 78 LYS H H 1 7.719 0 . . . . . . . 74 LYS H . 50422 1 808 . 1 . 1 78 78 LYS HA H 1 4.551 0 . . . . . . . 74 LYS HA . 50422 1 809 . 1 . 1 78 78 LYS HB2 H 1 1.572 0 . . . . . . . 74 LYS HB2 . 50422 1 810 . 1 . 1 78 78 LYS HB3 H 1 1.744 0 . . . . . . . 74 LYS HB3 . 50422 1 811 . 1 . 1 78 78 LYS HG2 H 1 0.994 0 . . . . . . . 74 LYS QG . 50422 1 812 . 1 . 1 78 78 LYS HG3 H 1 0.994 0 . . . . . . . 74 LYS QG . 50422 1 813 . 1 . 1 78 78 LYS HD2 H 1 1.662 0 . . . . . . . 74 LYS QD . 50422 1 814 . 1 . 1 78 78 LYS HD3 H 1 1.662 0 . . . . . . . 74 LYS QD . 50422 1 815 . 1 . 1 78 78 LYS HE2 H 1 2.929 0 . . . . . . . 74 LYS QE . 50422 1 816 . 1 . 1 78 78 LYS HE3 H 1 2.929 0 . . . . . . . 74 LYS QE . 50422 1 817 . 1 . 1 78 78 LYS C C 13 177.273 0 . . . . . . . 74 LYS C . 50422 1 818 . 1 . 1 78 78 LYS CA C 13 54.311 0 . . . . . . . 74 LYS CA . 50422 1 819 . 1 . 1 78 78 LYS CB C 13 34.146 0 . . . . . . . 74 LYS CB . 50422 1 820 . 1 . 1 78 78 LYS CG C 13 24.577 0 . . . . . . . 74 LYS CG . 50422 1 821 . 1 . 1 78 78 LYS CD C 13 28.891 0 . . . . . . . 74 LYS CD . 50422 1 822 . 1 . 1 78 78 LYS CE C 13 41.995 0 . . . . . . . 74 LYS CE . 50422 1 823 . 1 . 1 78 78 LYS N N 15 115.506 0.011 . . . . . . . 74 LYS N . 50422 1 824 . 1 . 1 79 79 VAL H H 1 8.468 0.001 . . . . . . . 75 VAL H . 50422 1 825 . 1 . 1 79 79 VAL HA H 1 3.365 0 . . . . . . . 75 VAL HA . 50422 1 826 . 1 . 1 79 79 VAL HB H 1 1.898 0 . . . . . . . 75 VAL HB . 50422 1 827 . 1 . 1 79 79 VAL HG11 H 1 0.681 0 . . . . . . . 75 VAL QG1 . 50422 1 828 . 1 . 1 79 79 VAL HG12 H 1 0.681 0 . . . . . . . 75 VAL QG1 . 50422 1 829 . 1 . 1 79 79 VAL HG13 H 1 0.681 0 . . . . . . . 75 VAL QG1 . 50422 1 830 . 1 . 1 79 79 VAL HG21 H 1 0.868 0 . . . . . . . 75 VAL QG2 . 50422 1 831 . 1 . 1 79 79 VAL HG22 H 1 0.868 0 . . . . . . . 75 VAL QG2 . 50422 1 832 . 1 . 1 79 79 VAL HG23 H 1 0.868 0 . . . . . . . 75 VAL QG2 . 50422 1 833 . 1 . 1 79 79 VAL C C 13 177.278 0 . . . . . . . 75 VAL C . 50422 1 834 . 1 . 1 79 79 VAL CA C 13 65.981 0 . . . . . . . 75 VAL CA . 50422 1 835 . 1 . 1 79 79 VAL CB C 13 30.054 0 . . . . . . . 75 VAL CB . 50422 1 836 . 1 . 1 79 79 VAL CG1 C 13 21.918 0 . . . . . . . 75 VAL CG1 . 50422 1 837 . 1 . 1 79 79 VAL CG2 C 13 23.698 0 . . . . . . . 75 VAL CG2 . 50422 1 838 . 1 . 1 79 79 VAL N N 15 122.209 0.012 . . . . . . . 75 VAL N . 50422 1 839 . 1 . 1 80 80 GLY H H 1 8.9 0.002 . . . . . . . 76 GLY H . 50422 1 840 . 1 . 1 80 80 GLY HA2 H 1 4.333 0 . . . . . . . 76 GLY HA2 . 50422 1 841 . 1 . 1 80 80 GLY HA3 H 1 3.316 0 . . . . . . . 76 GLY HA3 . 50422 1 842 . 1 . 1 80 80 GLY C C 13 173.165 0 . . . . . . . 76 GLY C . 50422 1 843 . 1 . 1 80 80 GLY CA C 13 44.941 0 . . . . . . . 76 GLY CA . 50422 1 844 . 1 . 1 80 80 GLY N N 15 118.075 0.029 . . . . . . . 76 GLY N . 50422 1 845 . 1 . 1 81 81 GLY H H 1 8.574 0 . . . . . . . 77 GLY H . 50422 1 846 . 1 . 1 81 81 GLY HA2 H 1 4.578 0 . . . . . . . 77 GLY HA2 . 50422 1 847 . 1 . 1 81 81 GLY HA3 H 1 3.922 0 . . . . . . . 77 GLY HA3 . 50422 1 848 . 1 . 1 81 81 GLY C C 13 171.609 0 . . . . . . . 77 GLY C . 50422 1 849 . 1 . 1 81 81 GLY CA C 13 43.83 0 . . . . . . . 77 GLY CA . 50422 1 850 . 1 . 1 81 81 GLY N N 15 108.806 0.003 . . . . . . . 77 GLY N . 50422 1 851 . 1 . 1 82 82 SER H H 1 8.047 0.001 . . . . . . . 78 SER H . 50422 1 852 . 1 . 1 82 82 SER HA H 1 5.849 0 . . . . . . . 78 SER HA . 50422 1 853 . 1 . 1 82 82 SER HB2 H 1 3.754 0 . . . . . . . 78 SER QB . 50422 1 854 . 1 . 1 82 82 SER HB3 H 1 3.754 0 . . . . . . . 78 SER QB . 50422 1 855 . 1 . 1 82 82 SER C C 13 173.609 0 . . . . . . . 78 SER C . 50422 1 856 . 1 . 1 82 82 SER CA C 13 57.418 0 . . . . . . . 78 SER CA . 50422 1 857 . 1 . 1 82 82 SER CB C 13 68.901 0 . . . . . . . 78 SER CB . 50422 1 858 . 1 . 1 82 82 SER N N 15 107.172 0.01 . . . . . . . 78 SER N . 50422 1 859 . 1 . 1 83 83 CYS H H 1 8.582 0.001 . . . . . . . 79 CYS H . 50422 1 860 . 1 . 1 83 83 CYS HA H 1 4.953 0 . . . . . . . 79 CYS HA . 50422 1 861 . 1 . 1 83 83 CYS HB2 H 1 2.921 0 . . . . . . . 79 CYS QB . 50422 1 862 . 1 . 1 83 83 CYS HB3 H 1 2.921 0 . . . . . . . 79 CYS QB . 50422 1 863 . 1 . 1 83 83 CYS C C 13 171.592 0 . . . . . . . 79 CYS C . 50422 1 864 . 1 . 1 83 83 CYS CA C 13 56.159 0 . . . . . . . 79 CYS CA . 50422 1 865 . 1 . 1 83 83 CYS CB C 13 30.658 0 . . . . . . . 79 CYS CB . 50422 1 866 . 1 . 1 83 83 CYS N N 15 112.145 0.013 . . . . . . . 79 CYS N . 50422 1 867 . 1 . 1 84 84 VAL H H 1 8.53 0.002 . . . . . . . 80 VAL H . 50422 1 868 . 1 . 1 84 84 VAL HA H 1 4.809 0 . . . . . . . 80 VAL HA . 50422 1 869 . 1 . 1 84 84 VAL HB H 1 1.972 0 . . . . . . . 80 VAL HB . 50422 1 870 . 1 . 1 84 84 VAL HG11 H 1 0.728 0 . . . . . . . 80 VAL QG1 . 50422 1 871 . 1 . 1 84 84 VAL HG12 H 1 0.728 0 . . . . . . . 80 VAL QG1 . 50422 1 872 . 1 . 1 84 84 VAL HG13 H 1 0.728 0 . . . . . . . 80 VAL QG1 . 50422 1 873 . 1 . 1 84 84 VAL HG21 H 1 0.735 0 . . . . . . . 80 VAL QG2 . 50422 1 874 . 1 . 1 84 84 VAL HG22 H 1 0.735 0 . . . . . . . 80 VAL QG2 . 50422 1 875 . 1 . 1 84 84 VAL HG23 H 1 0.735 0 . . . . . . . 80 VAL QG2 . 50422 1 876 . 1 . 1 84 84 VAL C C 13 175.331 0 . . . . . . . 80 VAL C . 50422 1 877 . 1 . 1 84 84 VAL CA C 13 61.817 0 . . . . . . . 80 VAL CA . 50422 1 878 . 1 . 1 84 84 VAL CB C 13 32.443 0 . . . . . . . 80 VAL CB . 50422 1 879 . 1 . 1 84 84 VAL CG1 C 13 21.835 0 . . . . . . . 80 VAL CG1 . 50422 1 880 . 1 . 1 84 84 VAL CG2 C 13 21.749 0 . . . . . . . 80 VAL CG2 . 50422 1 881 . 1 . 1 84 84 VAL N N 15 122.028 0.035 . . . . . . . 80 VAL N . 50422 1 882 . 1 . 1 85 85 LEU H H 1 8.995 0.002 . . . . . . . 81 LEU H . 50422 1 883 . 1 . 1 85 85 LEU HA H 1 4.988 0 . . . . . . . 81 LEU HA . 50422 1 884 . 1 . 1 85 85 LEU HB2 H 1 2.119 0 . . . . . . . 81 LEU QB . 50422 1 885 . 1 . 1 85 85 LEU HB3 H 1 2.119 0 . . . . . . . 81 LEU QB . 50422 1 886 . 1 . 1 85 85 LEU HG H 1 1.729 0 . . . . . . . 81 LEU HG . 50422 1 887 . 1 . 1 85 85 LEU HD11 H 1 0.462 0 . . . . . . . 81 LEU QD1 . 50422 1 888 . 1 . 1 85 85 LEU HD12 H 1 0.462 0 . . . . . . . 81 LEU QD1 . 50422 1 889 . 1 . 1 85 85 LEU HD13 H 1 0.462 0 . . . . . . . 81 LEU QD1 . 50422 1 890 . 1 . 1 85 85 LEU HD21 H 1 0.939 0 . . . . . . . 81 LEU QD2 . 50422 1 891 . 1 . 1 85 85 LEU HD22 H 1 0.939 0 . . . . . . . 81 LEU QD2 . 50422 1 892 . 1 . 1 85 85 LEU HD23 H 1 0.939 0 . . . . . . . 81 LEU QD2 . 50422 1 893 . 1 . 1 85 85 LEU C C 13 176.764 0 . . . . . . . 81 LEU C . 50422 1 894 . 1 . 1 85 85 LEU CA C 13 53.092 0 . . . . . . . 81 LEU CA . 50422 1 895 . 1 . 1 85 85 LEU CB C 13 45.033 0 . . . . . . . 81 LEU CB . 50422 1 896 . 1 . 1 85 85 LEU CG C 13 26.245 0 . . . . . . . 81 LEU CG . 50422 1 897 . 1 . 1 85 85 LEU CD1 C 13 24.755 0 . . . . . . . 81 LEU CD1 . 50422 1 898 . 1 . 1 85 85 LEU CD2 C 13 22.313 0 . . . . . . . 81 LEU CD2 . 50422 1 899 . 1 . 1 85 85 LEU N N 15 130.219 0.028 . . . . . . . 81 LEU N . 50422 1 900 . 1 . 1 86 86 SER H H 1 10.13 0.004 . . . . . . . 82 SER H . 50422 1 901 . 1 . 1 86 86 SER HA H 1 4.402 0 . . . . . . . 82 SER HA . 50422 1 902 . 1 . 1 86 86 SER HB2 H 1 3.351 0 . . . . . . . 82 SER HB2 . 50422 1 903 . 1 . 1 86 86 SER HB3 H 1 3.888 0 . . . . . . . 82 SER HB3 . 50422 1 904 . 1 . 1 86 86 SER C C 13 175.378 0 . . . . . . . 82 SER C . 50422 1 905 . 1 . 1 86 86 SER CA C 13 59.792 0 . . . . . . . 82 SER CA . 50422 1 906 . 1 . 1 86 86 SER CB C 13 63.025 0 . . . . . . . 82 SER CB . 50422 1 907 . 1 . 1 86 86 SER N N 15 119.074 0.02 . . . . . . . 82 SER N . 50422 1 908 . 1 . 1 87 87 GLY H H 1 7.283 0 . . . . . . . 83 GLY H . 50422 1 909 . 1 . 1 87 87 GLY HA2 H 1 4.059 0 . . . . . . . 83 GLY HA2 . 50422 1 910 . 1 . 1 87 87 GLY HA3 H 1 3.029 0 . . . . . . . 83 GLY HA3 . 50422 1 911 . 1 . 1 87 87 GLY C C 13 173.676 0 . . . . . . . 83 GLY C . 50422 1 912 . 1 . 1 87 87 GLY CA C 13 45.306 0 . . . . . . . 83 GLY CA . 50422 1 913 . 1 . 1 87 87 GLY N N 15 111.18 0.026 . . . . . . . 83 GLY N . 50422 1 914 . 1 . 1 88 88 HIS H H 1 8.579 0 . . . . . . . 84 HIS H . 50422 1 915 . 1 . 1 88 88 HIS HA H 1 3.753 0 . . . . . . . 84 HIS HA . 50422 1 916 . 1 . 1 88 88 HIS HB2 H 1 3.182 0 . . . . . . . 84 HIS QB . 50422 1 917 . 1 . 1 88 88 HIS HB3 H 1 3.182 0 . . . . . . . 84 HIS QB . 50422 1 918 . 1 . 1 88 88 HIS C C 13 173.871 0 . . . . . . . 84 HIS C . 50422 1 919 . 1 . 1 88 88 HIS CA C 13 57.856 0 . . . . . . . 84 HIS CA . 50422 1 920 . 1 . 1 88 88 HIS CB C 13 28.168 0 . . . . . . . 84 HIS CB . 50422 1 921 . 1 . 1 88 88 HIS N N 15 117.534 0.039 . . . . . . . 84 HIS N . 50422 1 922 . 1 . 1 89 89 ASN H H 1 9.401 0.003 . . . . . . . 85 ASN H . 50422 1 923 . 1 . 1 89 89 ASN HA H 1 4.571 0.005 . . . . . . . 85 ASN HA . 50422 1 924 . 1 . 1 89 89 ASN HB2 H 1 2.983 0 . . . . . . . 85 ASN HB2 . 50422 1 925 . 1 . 1 89 89 ASN HB3 H 1 2.823 0 . . . . . . . 85 ASN HB3 . 50422 1 926 . 1 . 1 89 89 ASN C C 13 174.539 0 . . . . . . . 85 ASN C . 50422 1 927 . 1 . 1 89 89 ASN CA C 13 54.151 0 . . . . . . . 85 ASN CA . 50422 1 928 . 1 . 1 89 89 ASN CB C 13 36.121 0 . . . . . . . 85 ASN CB . 50422 1 929 . 1 . 1 89 89 ASN N N 15 116.423 0.005 . . . . . . . 85 ASN N . 50422 1 930 . 1 . 1 90 90 LEU H H 1 8.337 0.003 . . . . . . . 86 LEU H . 50422 1 931 . 1 . 1 90 90 LEU HA H 1 4.097 0 . . . . . . . 86 LEU HA . 50422 1 932 . 1 . 1 90 90 LEU HB2 H 1 1.815 0 . . . . . . . 86 LEU HB2 . 50422 1 933 . 1 . 1 90 90 LEU HB3 H 1 1.118 0 . . . . . . . 86 LEU HB3 . 50422 1 934 . 1 . 1 90 90 LEU HG H 1 1.549 0 . . . . . . . 86 LEU HG . 50422 1 935 . 1 . 1 90 90 LEU HD11 H 1 0.679 0 . . . . . . . 86 LEU QD1 . 50422 1 936 . 1 . 1 90 90 LEU HD12 H 1 0.679 0 . . . . . . . 86 LEU QD1 . 50422 1 937 . 1 . 1 90 90 LEU HD13 H 1 0.679 0 . . . . . . . 86 LEU QD1 . 50422 1 938 . 1 . 1 90 90 LEU HD21 H 1 0.677 0 . . . . . . . 86 LEU QD2 . 50422 1 939 . 1 . 1 90 90 LEU HD22 H 1 0.677 0 . . . . . . . 86 LEU QD2 . 50422 1 940 . 1 . 1 90 90 LEU HD23 H 1 0.677 0 . . . . . . . 86 LEU QD2 . 50422 1 941 . 1 . 1 90 90 LEU C C 13 174.187 0 . . . . . . . 86 LEU C . 50422 1 942 . 1 . 1 90 90 LEU CA C 13 55.836 0 . . . . . . . 86 LEU CA . 50422 1 943 . 1 . 1 90 90 LEU CB C 13 44.034 0 . . . . . . . 86 LEU CB . 50422 1 944 . 1 . 1 90 90 LEU CG C 13 26.587 0 . . . . . . . 86 LEU CG . 50422 1 945 . 1 . 1 90 90 LEU CD1 C 13 23.005 0 . . . . . . . 86 LEU CD1 . 50422 1 946 . 1 . 1 90 90 LEU CD2 C 13 22.722 0 . . . . . . . 86 LEU CD2 . 50422 1 947 . 1 . 1 90 90 LEU N N 15 119.928 0.023 . . . . . . . 86 LEU N . 50422 1 948 . 1 . 1 91 91 ALA H H 1 6.934 0 . . . . . . . 87 ALA H . 50422 1 949 . 1 . 1 91 91 ALA HA H 1 4.471 0.003 . . . . . . . 87 ALA HA . 50422 1 950 . 1 . 1 91 91 ALA HB1 H 1 1.092 0.016 . . . . . . . 87 ALA HB . 50422 1 951 . 1 . 1 91 91 ALA HB2 H 1 1.092 0.016 . . . . . . . 87 ALA HB . 50422 1 952 . 1 . 1 91 91 ALA HB3 H 1 1.092 0.016 . . . . . . . 87 ALA HB . 50422 1 953 . 1 . 1 91 91 ALA C C 13 176.416 0 . . . . . . . 87 ALA C . 50422 1 954 . 1 . 1 91 91 ALA CA C 13 50.658 0 . . . . . . . 87 ALA CA . 50422 1 955 . 1 . 1 91 91 ALA CB C 13 23.522 0 . . . . . . . 87 ALA CB . 50422 1 956 . 1 . 1 91 91 ALA N N 15 115.135 0.006 . . . . . . . 87 ALA N . 50422 1 957 . 1 . 1 92 92 LYS H H 1 7.521 0.002 . . . . . . . 88 LYS H . 50422 1 958 . 1 . 1 92 92 LYS HA H 1 4.008 0 . . . . . . . 88 LYS HA . 50422 1 959 . 1 . 1 92 92 LYS HB2 H 1 2.042 0 . . . . . . . 88 LYS QB . 50422 1 960 . 1 . 1 92 92 LYS HB3 H 1 2.042 0 . . . . . . . 88 LYS QB . 50422 1 961 . 1 . 1 92 92 LYS HG2 H 1 1.163 0 . . . . . . . 88 LYS QG . 50422 1 962 . 1 . 1 92 92 LYS HG3 H 1 1.163 0 . . . . . . . 88 LYS QG . 50422 1 963 . 1 . 1 92 92 LYS HD2 H 1 1.6 0 . . . . . . . 88 LYS QD . 50422 1 964 . 1 . 1 92 92 LYS HD3 H 1 1.6 0 . . . . . . . 88 LYS QD . 50422 1 965 . 1 . 1 92 92 LYS HE2 H 1 3.077 0 . . . . . . . 88 LYS QE . 50422 1 966 . 1 . 1 92 92 LYS HE3 H 1 3.077 0 . . . . . . . 88 LYS QE . 50422 1 967 . 1 . 1 92 92 LYS C C 13 178.345 0 . . . . . . . 88 LYS C . 50422 1 968 . 1 . 1 92 92 LYS CA C 13 60.449 0 . . . . . . . 88 LYS CA . 50422 1 969 . 1 . 1 92 92 LYS CB C 13 31.654 0 . . . . . . . 88 LYS CB . 50422 1 970 . 1 . 1 92 92 LYS CG C 13 24.615 0 . . . . . . . 88 LYS CG . 50422 1 971 . 1 . 1 92 92 LYS CD C 13 29.077 0 . . . . . . . 88 LYS CD . 50422 1 972 . 1 . 1 92 92 LYS CE C 13 39.84 0 . . . . . . . 88 LYS CE . 50422 1 973 . 1 . 1 92 92 LYS N N 15 119.603 0 . . . . . . . 88 LYS N . 50422 1 974 . 1 . 1 93 93 HIS H H 1 8.385 0 . . . . . . . 89 HIS H . 50422 1 975 . 1 . 1 93 93 HIS HA H 1 5.176 0 . . . . . . . 89 HIS HA . 50422 1 976 . 1 . 1 93 93 HIS HB2 H 1 2.92 0 . . . . . . . 89 HIS QB . 50422 1 977 . 1 . 1 93 93 HIS HB3 H 1 2.92 0 . . . . . . . 89 HIS QB . 50422 1 978 . 1 . 1 93 93 HIS C C 13 172.807 0 . . . . . . . 89 HIS C . 50422 1 979 . 1 . 1 93 93 HIS CA C 13 54.186 0 . . . . . . . 89 HIS CA . 50422 1 980 . 1 . 1 93 93 HIS CB C 13 33.183 0 . . . . . . . 89 HIS CB . 50422 1 981 . 1 . 1 93 93 HIS N N 15 115.257 0.015 . . . . . . . 89 HIS N . 50422 1 982 . 1 . 1 94 94 CYS H H 1 8.575 0 . . . . . . . 90 CYS H . 50422 1 983 . 1 . 1 94 94 CYS HA H 1 5.27 0 . . . . . . . 90 CYS HA . 50422 1 984 . 1 . 1 94 94 CYS HB2 H 1 2.211 0 . . . . . . . 90 CYS QB . 50422 1 985 . 1 . 1 94 94 CYS HB3 H 1 2.211 0 . . . . . . . 90 CYS QB . 50422 1 986 . 1 . 1 94 94 CYS C C 13 172.898 0 . . . . . . . 90 CYS C . 50422 1 987 . 1 . 1 94 94 CYS CA C 13 55.877 0 . . . . . . . 90 CYS CA . 50422 1 988 . 1 . 1 94 94 CYS CB C 13 29.396 0 . . . . . . . 90 CYS CB . 50422 1 989 . 1 . 1 94 94 CYS N N 15 121.134 0 . . . . . . . 90 CYS N . 50422 1 990 . 1 . 1 95 95 LEU H H 1 8.57 0.002 . . . . . . . 91 LEU H . 50422 1 991 . 1 . 1 95 95 LEU HA H 1 4.746 0 . . . . . . . 91 LEU HA . 50422 1 992 . 1 . 1 95 95 LEU HB2 H 1 1.595 0 . . . . . . . 91 LEU QB . 50422 1 993 . 1 . 1 95 95 LEU HB3 H 1 1.595 0 . . . . . . . 91 LEU QB . 50422 1 994 . 1 . 1 95 95 LEU C C 13 174.187 0 . . . . . . . 91 LEU C . 50422 1 995 . 1 . 1 95 95 LEU CA C 13 52.969 0 . . . . . . . 91 LEU CA . 50422 1 996 . 1 . 1 95 95 LEU CB C 13 43.55 0 . . . . . . . 91 LEU CB . 50422 1 997 . 1 . 1 95 95 LEU CD2 C 13 22.596 0 . . . . . . . 91 LEU CD2 . 50422 1 998 . 1 . 1 95 95 LEU N N 15 131.228 0.037 . . . . . . . 91 LEU N . 50422 1 999 . 1 . 1 96 96 HIS H H 1 9.051 0.002 . . . . . . . 92 HIS H . 50422 1 1000 . 1 . 1 96 96 HIS HA H 1 4.466 0 . . . . . . . 92 HIS HA . 50422 1 1001 . 1 . 1 96 96 HIS HB2 H 1 3.316 0 . . . . . . . 92 HIS QB . 50422 1 1002 . 1 . 1 96 96 HIS HB3 H 1 3.316 0 . . . . . . . 92 HIS QB . 50422 1 1003 . 1 . 1 96 96 HIS C C 13 174.722 0 . . . . . . . 92 HIS C . 50422 1 1004 . 1 . 1 96 96 HIS CA C 13 56.868 0 . . . . . . . 92 HIS CA . 50422 1 1005 . 1 . 1 96 96 HIS CB C 13 31.826 0 . . . . . . . 92 HIS CB . 50422 1 1006 . 1 . 1 96 96 HIS N N 15 130.518 0.01 . . . . . . . 92 HIS N . 50422 1 1007 . 1 . 1 97 97 VAL H H 1 8.384 0 . . . . . . . 93 VAL H . 50422 1 1008 . 1 . 1 97 97 VAL HA H 1 4.543 0 . . . . . . . 93 VAL HA . 50422 1 1009 . 1 . 1 97 97 VAL HB H 1 1.843 0 . . . . . . . 93 VAL HB . 50422 1 1010 . 1 . 1 97 97 VAL HG11 H 1 0.848 0 . . . . . . . 93 VAL QG1 . 50422 1 1011 . 1 . 1 97 97 VAL HG12 H 1 0.848 0 . . . . . . . 93 VAL QG1 . 50422 1 1012 . 1 . 1 97 97 VAL HG13 H 1 0.848 0 . . . . . . . 93 VAL QG1 . 50422 1 1013 . 1 . 1 97 97 VAL C C 13 174.551 0 . . . . . . . 93 VAL C . 50422 1 1014 . 1 . 1 97 97 VAL CA C 13 60.886 0 . . . . . . . 93 VAL CA . 50422 1 1015 . 1 . 1 97 97 VAL CB C 13 34.11 0 . . . . . . . 93 VAL CB . 50422 1 1016 . 1 . 1 97 97 VAL CG1 C 13 23.224 0 . . . . . . . 93 VAL CG1 . 50422 1 1017 . 1 . 1 97 97 VAL N N 15 121.532 0.037 . . . . . . . 93 VAL N . 50422 1 1018 . 1 . 1 98 98 VAL H H 1 8.366 0.003 . . . . . . . 94 VAL H . 50422 1 1019 . 1 . 1 98 98 VAL HA H 1 4.416 0 . . . . . . . 94 VAL HA . 50422 1 1020 . 1 . 1 98 98 VAL HB H 1 2.218 0 . . . . . . . 94 VAL HB . 50422 1 1021 . 1 . 1 98 98 VAL HG11 H 1 0.43 0 . . . . . . . 94 VAL QG1 . 50422 1 1022 . 1 . 1 98 98 VAL HG12 H 1 0.43 0 . . . . . . . 94 VAL QG1 . 50422 1 1023 . 1 . 1 98 98 VAL HG13 H 1 0.43 0 . . . . . . . 94 VAL QG1 . 50422 1 1024 . 1 . 1 98 98 VAL C C 13 176.723 0 . . . . . . . 94 VAL C . 50422 1 1025 . 1 . 1 98 98 VAL CA C 13 60.853 0 . . . . . . . 94 VAL CA . 50422 1 1026 . 1 . 1 98 98 VAL CB C 13 30.917 0 . . . . . . . 94 VAL CB . 50422 1 1027 . 1 . 1 98 98 VAL CG1 C 13 21.261 0 . . . . . . . 94 VAL CG1 . 50422 1 1028 . 1 . 1 98 98 VAL N N 15 128.317 0.024 . . . . . . . 94 VAL N . 50422 1 1029 . 1 . 1 99 99 GLY H H 1 9.086 0 . . . . . . . 95 GLY H . 50422 1 1030 . 1 . 1 99 99 GLY HA2 H 1 4.16 0 . . . . . . . 95 GLY HA2 . 50422 1 1031 . 1 . 1 99 99 GLY HA3 H 1 3.016 0 . . . . . . . 95 GLY HA3 . 50422 1 1032 . 1 . 1 99 99 GLY C C 13 175.962 0 . . . . . . . 95 GLY C . 50422 1 1033 . 1 . 1 99 99 GLY CA C 13 42.462 0 . . . . . . . 95 GLY CA . 50422 1 1034 . 1 . 1 99 99 GLY N N 15 115.035 0.023 . . . . . . . 95 GLY N . 50422 1 1035 . 1 . 1 100 100 PRO HA H 1 4.389 0 . . . . . . . 96 PRO HA . 50422 1 1036 . 1 . 1 100 100 PRO HB2 H 1 1.64 0 . . . . . . . 96 PRO QB . 50422 1 1037 . 1 . 1 100 100 PRO HB3 H 1 1.64 0 . . . . . . . 96 PRO QB . 50422 1 1038 . 1 . 1 100 100 PRO HG2 H 1 2.071 0 . . . . . . . 96 PRO QG . 50422 1 1039 . 1 . 1 100 100 PRO HG3 H 1 2.071 0 . . . . . . . 96 PRO QG . 50422 1 1040 . 1 . 1 100 100 PRO HD2 H 1 3.666 0 . . . . . . . 96 PRO QD . 50422 1 1041 . 1 . 1 100 100 PRO HD3 H 1 3.666 0 . . . . . . . 96 PRO QD . 50422 1 1042 . 1 . 1 100 100 PRO C C 13 175.937 0 . . . . . . . 96 PRO C . 50422 1 1043 . 1 . 1 100 100 PRO CA C 13 62.3 0 . . . . . . . 96 PRO CA . 50422 1 1044 . 1 . 1 100 100 PRO CB C 13 32.009 0 . . . . . . . 96 PRO CB . 50422 1 1045 . 1 . 1 100 100 PRO CG C 13 28.004 0 . . . . . . . 96 PRO CG . 50422 1 1046 . 1 . 1 100 100 PRO CD C 13 48.049 0 . . . . . . . 96 PRO CD . 50422 1 1047 . 1 . 1 101 101 ASN H H 1 10.243 0.003 . . . . . . . 97 ASN H . 50422 1 1048 . 1 . 1 101 101 ASN HA H 1 5.152 0 . . . . . . . 97 ASN HA . 50422 1 1049 . 1 . 1 101 101 ASN HB2 H 1 2.223 0 . . . . . . . 97 ASN HB2 . 50422 1 1050 . 1 . 1 101 101 ASN HB3 H 1 2.859 0 . . . . . . . 97 ASN HB3 . 50422 1 1051 . 1 . 1 101 101 ASN C C 13 176.785 0 . . . . . . . 97 ASN C . 50422 1 1052 . 1 . 1 101 101 ASN CA C 13 51.37 0 . . . . . . . 97 ASN CA . 50422 1 1053 . 1 . 1 101 101 ASN CB C 13 37.13 0 . . . . . . . 97 ASN CB . 50422 1 1054 . 1 . 1 101 101 ASN N N 15 121.858 0.045 . . . . . . . 97 ASN N . 50422 1 1055 . 1 . 1 102 102 VAL H H 1 8.381 0.001 . . . . . . . 98 VAL H . 50422 1 1056 . 1 . 1 102 102 VAL HA H 1 4.168 0 . . . . . . . 98 VAL HA . 50422 1 1057 . 1 . 1 102 102 VAL HB H 1 2.273 0 . . . . . . . 98 VAL HB . 50422 1 1058 . 1 . 1 102 102 VAL HG11 H 1 1.04 0 . . . . . . . 98 VAL QG1 . 50422 1 1059 . 1 . 1 102 102 VAL HG12 H 1 1.04 0 . . . . . . . 98 VAL QG1 . 50422 1 1060 . 1 . 1 102 102 VAL HG13 H 1 1.04 0 . . . . . . . 98 VAL QG1 . 50422 1 1061 . 1 . 1 102 102 VAL C C 13 179.828 0 . . . . . . . 98 VAL C . 50422 1 1062 . 1 . 1 102 102 VAL CA C 13 64.709 0 . . . . . . . 98 VAL CA . 50422 1 1063 . 1 . 1 102 102 VAL CB C 13 31.588 0 . . . . . . . 98 VAL CB . 50422 1 1064 . 1 . 1 102 102 VAL CG1 C 13 21.163 0 . . . . . . . 98 VAL CG1 . 50422 1 1065 . 1 . 1 102 102 VAL N N 15 124.164 0.008 . . . . . . . 98 VAL N . 50422 1 1066 . 1 . 1 103 103 ASN H H 1 8.078 0.001 . . . . . . . 99 ASN H . 50422 1 1067 . 1 . 1 103 103 ASN HA H 1 4.665 0 . . . . . . . 99 ASN HA . 50422 1 1068 . 1 . 1 103 103 ASN HB2 H 1 2.891 0 . . . . . . . 99 ASN HB2 . 50422 1 1069 . 1 . 1 103 103 ASN HB3 H 1 3.187 0 . . . . . . . 99 ASN HB3 . 50422 1 1070 . 1 . 1 103 103 ASN C C 13 176.861 0 . . . . . . . 99 ASN C . 50422 1 1071 . 1 . 1 103 103 ASN CA C 13 55.765 0 . . . . . . . 99 ASN CA . 50422 1 1072 . 1 . 1 103 103 ASN CB C 13 38.086 0 . . . . . . . 99 ASN CB . 50422 1 1073 . 1 . 1 103 103 ASN N N 15 120.69 0.035 . . . . . . . 99 ASN N . 50422 1 1074 . 1 . 1 104 104 LYS H H 1 7.234 0 . . . . . . . 100 LYS H . 50422 1 1075 . 1 . 1 104 104 LYS HA H 1 4.507 0 . . . . . . . 100 LYS HA . 50422 1 1076 . 1 . 1 104 104 LYS HB2 H 1 2.185 0 . . . . . . . 100 LYS HB2 . 50422 1 1077 . 1 . 1 104 104 LYS HB3 H 1 1.501 0 . . . . . . . 100 LYS HB3 . 50422 1 1078 . 1 . 1 104 104 LYS HG2 H 1 1.289 0 . . . . . . . 100 LYS QG . 50422 1 1079 . 1 . 1 104 104 LYS HG3 H 1 1.289 0 . . . . . . . 100 LYS QG . 50422 1 1080 . 1 . 1 104 104 LYS HD2 H 1 1.532 0 . . . . . . . 100 LYS QD . 50422 1 1081 . 1 . 1 104 104 LYS HD3 H 1 1.532 0 . . . . . . . 100 LYS QD . 50422 1 1082 . 1 . 1 104 104 LYS HE2 H 1 3.153 0 . . . . . . . 100 LYS HE2 . 50422 1 1083 . 1 . 1 104 104 LYS HE3 H 1 3.228 0 . . . . . . . 100 LYS HE3 . 50422 1 1084 . 1 . 1 104 104 LYS C C 13 176.717 0 . . . . . . . 100 LYS C . 50422 1 1085 . 1 . 1 104 104 LYS CA C 13 55.415 0 . . . . . . . 100 LYS CA . 50422 1 1086 . 1 . 1 104 104 LYS CB C 13 32.717 0 . . . . . . . 100 LYS CB . 50422 1 1087 . 1 . 1 104 104 LYS CG C 13 24.976 0 . . . . . . . 100 LYS CG . 50422 1 1088 . 1 . 1 104 104 LYS CD C 13 27.062 0 . . . . . . . 100 LYS CD . 50422 1 1089 . 1 . 1 104 104 LYS CE C 13 42.029 0 . . . . . . . 100 LYS CE . 50422 1 1090 . 1 . 1 104 104 LYS N N 15 117.972 0.006 . . . . . . . 100 LYS N . 50422 1 1091 . 1 . 1 105 105 GLY H H 1 7.726 0 . . . . . . . 101 GLY H . 50422 1 1092 . 1 . 1 105 105 GLY HA2 H 1 4.154 0 . . . . . . . 101 GLY HA2 . 50422 1 1093 . 1 . 1 105 105 GLY HA3 H 1 3.869 0 . . . . . . . 101 GLY HA3 . 50422 1 1094 . 1 . 1 105 105 GLY C C 13 174.798 0 . . . . . . . 101 GLY C . 50422 1 1095 . 1 . 1 105 105 GLY CA C 13 45.956 0 . . . . . . . 101 GLY CA . 50422 1 1096 . 1 . 1 105 105 GLY N N 15 106.927 0.028 . . . . . . . 101 GLY N . 50422 1 1097 . 1 . 1 106 106 GLU H H 1 7.451 0.001 . . . . . . . 102 GLU H . 50422 1 1098 . 1 . 1 106 106 GLU HA H 1 4.147 0 . . . . . . . 102 GLU HA . 50422 1 1099 . 1 . 1 106 106 GLU HB2 H 1 1.724 0 . . . . . . . 102 GLU QB . 50422 1 1100 . 1 . 1 106 106 GLU HB3 H 1 1.724 0 . . . . . . . 102 GLU QB . 50422 1 1101 . 1 . 1 106 106 GLU HG2 H 1 2.244 0 . . . . . . . 102 GLU QG . 50422 1 1102 . 1 . 1 106 106 GLU HG3 H 1 2.244 0 . . . . . . . 102 GLU QG . 50422 1 1103 . 1 . 1 106 106 GLU C C 13 176.078 0 . . . . . . . 102 GLU C . 50422 1 1104 . 1 . 1 106 106 GLU CA C 13 56.069 0 . . . . . . . 102 GLU CA . 50422 1 1105 . 1 . 1 106 106 GLU CB C 13 29.584 0 . . . . . . . 102 GLU CB . 50422 1 1106 . 1 . 1 106 106 GLU CG C 13 36.626 0 . . . . . . . 102 GLU CG . 50422 1 1107 . 1 . 1 106 106 GLU N N 15 119.562 0.015 . . . . . . . 102 GLU N . 50422 1 1108 . 1 . 1 107 107 ASP H H 1 8.276 0.004 . . . . . . . 103 ASP H . 50422 1 1109 . 1 . 1 107 107 ASP HA H 1 4.352 0 . . . . . . . 103 ASP HA . 50422 1 1110 . 1 . 1 107 107 ASP HB2 H 1 2.77 0 . . . . . . . 103 ASP QB . 50422 1 1111 . 1 . 1 107 107 ASP HB3 H 1 2.77 0 . . . . . . . 103 ASP QB . 50422 1 1112 . 1 . 1 107 107 ASP C C 13 177.713 0 . . . . . . . 103 ASP C . 50422 1 1113 . 1 . 1 107 107 ASP CA C 13 54.777 0 . . . . . . . 103 ASP CA . 50422 1 1114 . 1 . 1 107 107 ASP CB C 13 41.853 0 . . . . . . . 103 ASP CB . 50422 1 1115 . 1 . 1 107 107 ASP N N 15 120.656 0 . . . . . . . 103 ASP N . 50422 1 1116 . 1 . 1 108 108 ILE H H 1 8.67 0 . . . . . . . 104 ILE H . 50422 1 1117 . 1 . 1 108 108 ILE HA H 1 4.009 0 . . . . . . . 104 ILE HA . 50422 1 1118 . 1 . 1 108 108 ILE HB H 1 2.012 0 . . . . . . . 104 ILE HB . 50422 1 1119 . 1 . 1 108 108 ILE HG12 H 1 1.549 0 . . . . . . . 104 ILE HG12 . 50422 1 1120 . 1 . 1 108 108 ILE HG13 H 1 1.487 0 . . . . . . . 104 ILE HG13 . 50422 1 1121 . 1 . 1 108 108 ILE HG21 H 1 1.017 0 . . . . . . . 104 ILE QG2 . 50422 1 1122 . 1 . 1 108 108 ILE HG22 H 1 1.017 0 . . . . . . . 104 ILE QG2 . 50422 1 1123 . 1 . 1 108 108 ILE HG23 H 1 1.017 0 . . . . . . . 104 ILE QG2 . 50422 1 1124 . 1 . 1 108 108 ILE HD11 H 1 0.998 0 . . . . . . . 104 ILE QD1 . 50422 1 1125 . 1 . 1 108 108 ILE HD12 H 1 0.998 0 . . . . . . . 104 ILE QD1 . 50422 1 1126 . 1 . 1 108 108 ILE HD13 H 1 0.998 0 . . . . . . . 104 ILE QD1 . 50422 1 1127 . 1 . 1 108 108 ILE C C 13 177.996 0 . . . . . . . 104 ILE C . 50422 1 1128 . 1 . 1 108 108 ILE CA C 13 61.441 0 . . . . . . . 104 ILE CA . 50422 1 1129 . 1 . 1 108 108 ILE CB C 13 38.929 0 . . . . . . . 104 ILE CB . 50422 1 1130 . 1 . 1 108 108 ILE CG1 C 13 29.234 0 . . . . . . . 104 ILE CG1 . 50422 1 1131 . 1 . 1 108 108 ILE CG2 C 13 17.734 0 . . . . . . . 104 ILE CG2 . 50422 1 1132 . 1 . 1 108 108 ILE CD1 C 13 14.587 0 . . . . . . . 104 ILE CD1 . 50422 1 1133 . 1 . 1 108 108 ILE N N 15 128.27 0.022 . . . . . . . 104 ILE N . 50422 1 1134 . 1 . 1 109 109 GLN H H 1 9.182 0 . . . . . . . 105 GLN H . 50422 1 1135 . 1 . 1 109 109 GLN HA H 1 4.207 0 . . . . . . . 105 GLN HA . 50422 1 1136 . 1 . 1 109 109 GLN HB2 H 1 2.171 0 . . . . . . . 105 GLN QB . 50422 1 1137 . 1 . 1 109 109 GLN HB3 H 1 2.171 0 . . . . . . . 105 GLN QB . 50422 1 1138 . 1 . 1 109 109 GLN HG2 H 1 2.605 0 . . . . . . . 105 GLN HG2 . 50422 1 1139 . 1 . 1 109 109 GLN HG3 H 1 2.457 0 . . . . . . . 105 GLN HG3 . 50422 1 1140 . 1 . 1 109 109 GLN C C 13 178.895 0 . . . . . . . 105 GLN C . 50422 1 1141 . 1 . 1 109 109 GLN CA C 13 58.779 0 . . . . . . . 105 GLN CA . 50422 1 1142 . 1 . 1 109 109 GLN CB C 13 28.099 0 . . . . . . . 105 GLN CB . 50422 1 1143 . 1 . 1 109 109 GLN CG C 13 34.125 0 . . . . . . . 105 GLN CG . 50422 1 1144 . 1 . 1 109 109 GLN N N 15 124.677 0.004 . . . . . . . 105 GLN N . 50422 1 1145 . 1 . 1 110 110 LEU H H 1 8.072 0.001 . . . . . . . 106 LEU H . 50422 1 1146 . 1 . 1 110 110 LEU HA H 1 4.351 0 . . . . . . . 106 LEU HA . 50422 1 1147 . 1 . 1 110 110 LEU HB2 H 1 1.916 0 . . . . . . . 106 LEU HB2 . 50422 1 1148 . 1 . 1 110 110 LEU HB3 H 1 1.392 0 . . . . . . . 106 LEU HB3 . 50422 1 1149 . 1 . 1 110 110 LEU HG H 1 1.718 0 . . . . . . . 106 LEU HG . 50422 1 1150 . 1 . 1 110 110 LEU HD11 H 1 0.941 0 . . . . . . . 106 LEU QD1 . 50422 1 1151 . 1 . 1 110 110 LEU HD12 H 1 0.941 0 . . . . . . . 106 LEU QD1 . 50422 1 1152 . 1 . 1 110 110 LEU HD13 H 1 0.941 0 . . . . . . . 106 LEU QD1 . 50422 1 1153 . 1 . 1 110 110 LEU HD21 H 1 0.927 0 . . . . . . . 106 LEU QD2 . 50422 1 1154 . 1 . 1 110 110 LEU HD22 H 1 0.927 0 . . . . . . . 106 LEU QD2 . 50422 1 1155 . 1 . 1 110 110 LEU HD23 H 1 0.927 0 . . . . . . . 106 LEU QD2 . 50422 1 1156 . 1 . 1 110 110 LEU C C 13 177.542 0 . . . . . . . 106 LEU C . 50422 1 1157 . 1 . 1 110 110 LEU CA C 13 56.403 0 . . . . . . . 106 LEU CA . 50422 1 1158 . 1 . 1 110 110 LEU CB C 13 41.636 0 . . . . . . . 106 LEU CB . 50422 1 1159 . 1 . 1 110 110 LEU CG C 13 27.378 0 . . . . . . . 106 LEU CG . 50422 1 1160 . 1 . 1 110 110 LEU CD1 C 13 25.572 0 . . . . . . . 106 LEU CD1 . 50422 1 1161 . 1 . 1 110 110 LEU CD2 C 13 22.249 0 . . . . . . . 106 LEU CD2 . 50422 1 1162 . 1 . 1 110 110 LEU N N 15 117.898 0.024 . . . . . . . 106 LEU N . 50422 1 1163 . 1 . 1 111 111 LEU H H 1 8.259 0.001 . . . . . . . 107 LEU H . 50422 1 1164 . 1 . 1 111 111 LEU HA H 1 3.938 0 . . . . . . . 107 LEU HA . 50422 1 1165 . 1 . 1 111 111 LEU HB2 H 1 2.155 0 . . . . . . . 107 LEU HB2 . 50422 1 1166 . 1 . 1 111 111 LEU HB3 H 1 1.165 0 . . . . . . . 107 LEU HB3 . 50422 1 1167 . 1 . 1 111 111 LEU HG H 1 1.738 0 . . . . . . . 107 LEU HG . 50422 1 1168 . 1 . 1 111 111 LEU HD11 H 1 0.993 0 . . . . . . . 107 LEU QD1 . 50422 1 1169 . 1 . 1 111 111 LEU HD12 H 1 0.993 0 . . . . . . . 107 LEU QD1 . 50422 1 1170 . 1 . 1 111 111 LEU HD13 H 1 0.993 0 . . . . . . . 107 LEU QD1 . 50422 1 1171 . 1 . 1 111 111 LEU HD21 H 1 0.622 0 . . . . . . . 107 LEU QD2 . 50422 1 1172 . 1 . 1 111 111 LEU HD22 H 1 0.622 0 . . . . . . . 107 LEU QD2 . 50422 1 1173 . 1 . 1 111 111 LEU HD23 H 1 0.622 0 . . . . . . . 107 LEU QD2 . 50422 1 1174 . 1 . 1 111 111 LEU C C 13 177.664 0 . . . . . . . 107 LEU C . 50422 1 1175 . 1 . 1 111 111 LEU CA C 13 57.432 0 . . . . . . . 107 LEU CA . 50422 1 1176 . 1 . 1 111 111 LEU CB C 13 42.811 0 . . . . . . . 107 LEU CB . 50422 1 1177 . 1 . 1 111 111 LEU CG C 13 26.56 0 . . . . . . . 107 LEU CG . 50422 1 1178 . 1 . 1 111 111 LEU CD1 C 13 25.308 0 . . . . . . . 107 LEU CD1 . 50422 1 1179 . 1 . 1 111 111 LEU CD2 C 13 23.523 0 . . . . . . . 107 LEU CD2 . 50422 1 1180 . 1 . 1 111 111 LEU N N 15 122.536 0.026 . . . . . . . 107 LEU N . 50422 1 1181 . 1 . 1 112 112 LYS H H 1 7.523 0.002 . . . . . . . 108 LYS H . 50422 1 1182 . 1 . 1 112 112 LYS HA H 1 3.901 0 . . . . . . . 108 LYS HA . 50422 1 1183 . 1 . 1 112 112 LYS HB2 H 1 1.99 0 . . . . . . . 108 LYS QB . 50422 1 1184 . 1 . 1 112 112 LYS HB3 H 1 1.99 0 . . . . . . . 108 LYS QB . 50422 1 1185 . 1 . 1 112 112 LYS C C 13 177.627 0 . . . . . . . 108 LYS C . 50422 1 1186 . 1 . 1 112 112 LYS CA C 13 60.677 0 . . . . . . . 108 LYS CA . 50422 1 1187 . 1 . 1 112 112 LYS CB C 13 31.77 0 . . . . . . . 108 LYS CB . 50422 1 1188 . 1 . 1 112 112 LYS CG C 13 24.73 0 . . . . . . . 108 LYS CG . 50422 1 1189 . 1 . 1 112 112 LYS N N 15 118.988 0.016 . . . . . . . 108 LYS N . 50422 1 1190 . 1 . 1 113 113 SER H H 1 7.123 0.002 . . . . . . . 109 SER H . 50422 1 1191 . 1 . 1 113 113 SER HA H 1 4.278 0 . . . . . . . 109 SER HA . 50422 1 1192 . 1 . 1 113 113 SER HB2 H 1 4.09 0 . . . . . . . 109 SER QB . 50422 1 1193 . 1 . 1 113 113 SER HB3 H 1 4.09 0 . . . . . . . 109 SER QB . 50422 1 1194 . 1 . 1 113 113 SER C C 13 176.083 0 . . . . . . . 109 SER C . 50422 1 1195 . 1 . 1 113 113 SER CA C 13 61.056 0 . . . . . . . 109 SER CA . 50422 1 1196 . 1 . 1 113 113 SER CB C 13 62.614 0 . . . . . . . 109 SER CB . 50422 1 1197 . 1 . 1 113 113 SER N N 15 113.095 0.013 . . . . . . . 109 SER N . 50422 1 1198 . 1 . 1 114 114 ALA H H 1 8.037 0.001 . . . . . . . 110 ALA H . 50422 1 1199 . 1 . 1 114 114 ALA HA H 1 3.669 0 . . . . . . . 110 ALA HA . 50422 1 1200 . 1 . 1 114 114 ALA HB1 H 1 1.258 0.016 . . . . . . . 110 ALA HB . 50422 1 1201 . 1 . 1 114 114 ALA HB2 H 1 1.258 0.016 . . . . . . . 110 ALA HB . 50422 1 1202 . 1 . 1 114 114 ALA HB3 H 1 1.258 0.016 . . . . . . . 110 ALA HB . 50422 1 1203 . 1 . 1 114 114 ALA C C 13 180.132 0 . . . . . . . 110 ALA C . 50422 1 1204 . 1 . 1 114 114 ALA CA C 13 54.946 0 . . . . . . . 110 ALA CA . 50422 1 1205 . 1 . 1 114 114 ALA CB C 13 18.109 0 . . . . . . . 110 ALA CB . 50422 1 1206 . 1 . 1 114 114 ALA N N 15 121.917 0.028 . . . . . . . 110 ALA N . 50422 1 1207 . 1 . 1 115 115 TYR H H 1 7.961 0.005 . . . . . . . 111 TYR H . 50422 1 1208 . 1 . 1 115 115 TYR HA H 1 4.154 0 . . . . . . . 111 TYR HA . 50422 1 1209 . 1 . 1 115 115 TYR HB2 H 1 3.506 0 . . . . . . . 111 TYR HB2 . 50422 1 1210 . 1 . 1 115 115 TYR HB3 H 1 2.56 0 . . . . . . . 111 TYR HB3 . 50422 1 1211 . 1 . 1 115 115 TYR C C 13 178.393 0 . . . . . . . 111 TYR C . 50422 1 1212 . 1 . 1 115 115 TYR CA C 13 54.45 0 . . . . . . . 111 TYR CA . 50422 1 1213 . 1 . 1 115 115 TYR CB C 13 37.982 0 . . . . . . . 111 TYR CB . 50422 1 1214 . 1 . 1 115 115 TYR N N 15 115.812 0.126 . . . . . . . 111 TYR N . 50422 1 1215 . 1 . 1 116 116 GLU H H 1 8.301 0.002 . . . . . . . 112 GLU H . 50422 1 1216 . 1 . 1 116 116 GLU HA H 1 3.904 0 . . . . . . . 112 GLU HA . 50422 1 1217 . 1 . 1 116 116 GLU HB2 H 1 2.185 0 . . . . . . . 112 GLU QB . 50422 1 1218 . 1 . 1 116 116 GLU HB3 H 1 2.185 0 . . . . . . . 112 GLU QB . 50422 1 1219 . 1 . 1 116 116 GLU HG2 H 1 2.433 0 . . . . . . . 112 GLU QG . 50422 1 1220 . 1 . 1 116 116 GLU HG3 H 1 2.433 0 . . . . . . . 112 GLU QG . 50422 1 1221 . 1 . 1 116 116 GLU C C 13 179.731 0 . . . . . . . 112 GLU C . 50422 1 1222 . 1 . 1 116 116 GLU CA C 13 59.56 0 . . . . . . . 112 GLU CA . 50422 1 1223 . 1 . 1 116 116 GLU CB C 13 28.89 0 . . . . . . . 112 GLU CB . 50422 1 1224 . 1 . 1 116 116 GLU CG C 13 36.233 0 . . . . . . . 112 GLU CG . 50422 1 1225 . 1 . 1 116 116 GLU N N 15 121.216 0.013 . . . . . . . 112 GLU N . 50422 1 1226 . 1 . 1 117 117 ASN H H 1 7.289 0.001 . . . . . . . 113 ASN H . 50422 1 1227 . 1 . 1 117 117 ASN HA H 1 4.544 0 . . . . . . . 113 ASN HA . 50422 1 1228 . 1 . 1 117 117 ASN HB2 H 1 2.771 0 . . . . . . . 113 ASN QB . 50422 1 1229 . 1 . 1 117 117 ASN HB3 H 1 2.771 0 . . . . . . . 113 ASN QB . 50422 1 1230 . 1 . 1 117 117 ASN C C 13 176.733 0 . . . . . . . 113 ASN C . 50422 1 1231 . 1 . 1 117 117 ASN CA C 13 56.971 0 . . . . . . . 113 ASN CA . 50422 1 1232 . 1 . 1 117 117 ASN CB C 13 39.785 0 . . . . . . . 113 ASN CB . 50422 1 1233 . 1 . 1 117 117 ASN N N 15 113.724 0.04 . . . . . . . 113 ASN N . 50422 1 1234 . 1 . 1 118 118 PHE H H 1 8.772 0.001 . . . . . . . 114 PHE H . 50422 1 1235 . 1 . 1 118 118 PHE HA H 1 4.229 0 . . . . . . . 114 PHE HA . 50422 1 1236 . 1 . 1 118 118 PHE HB2 H 1 3.788 0 . . . . . . . 114 PHE HB2 . 50422 1 1237 . 1 . 1 118 118 PHE HB3 H 1 3.135 0 . . . . . . . 114 PHE HB3 . 50422 1 1238 . 1 . 1 118 118 PHE C C 13 177.366 0 . . . . . . . 114 PHE C . 50422 1 1239 . 1 . 1 118 118 PHE CA C 13 58.653 0 . . . . . . . 114 PHE CA . 50422 1 1240 . 1 . 1 118 118 PHE CB C 13 37.683 0 . . . . . . . 114 PHE CB . 50422 1 1241 . 1 . 1 118 118 PHE N N 15 118.161 0.023 . . . . . . . 114 PHE N . 50422 1 1242 . 1 . 1 119 119 ASN H H 1 7.537 0.001 . . . . . . . 115 ASN H . 50422 1 1243 . 1 . 1 119 119 ASN HA H 1 5.068 0 . . . . . . . 115 ASN HA . 50422 1 1244 . 1 . 1 119 119 ASN HB2 H 1 3.015 0 . . . . . . . 115 ASN QB . 50422 1 1245 . 1 . 1 119 119 ASN HB3 H 1 3.015 0 . . . . . . . 115 ASN QB . 50422 1 1246 . 1 . 1 119 119 ASN C C 13 175.427 0 . . . . . . . 115 ASN C . 50422 1 1247 . 1 . 1 119 119 ASN CA C 13 55.177 0 . . . . . . . 115 ASN CA . 50422 1 1248 . 1 . 1 119 119 ASN CB C 13 37.706 0 . . . . . . . 115 ASN CB . 50422 1 1249 . 1 . 1 119 119 ASN N N 15 112.584 0.011 . . . . . . . 115 ASN N . 50422 1 1250 . 1 . 1 120 120 GLN H H 1 6.954 0 . . . . . . . 116 GLN H . 50422 1 1251 . 1 . 1 120 120 GLN HA H 1 4.193 0 . . . . . . . 116 GLN HA . 50422 1 1252 . 1 . 1 120 120 GLN HB2 H 1 1.805 0 . . . . . . . 116 GLN HB2 . 50422 1 1253 . 1 . 1 120 120 GLN HB3 H 1 1.981 0 . . . . . . . 116 GLN HB3 . 50422 1 1254 . 1 . 1 120 120 GLN HG2 H 1 2.348 0 . . . . . . . 116 GLN QG . 50422 1 1255 . 1 . 1 120 120 GLN HG3 H 1 2.348 0 . . . . . . . 116 GLN QG . 50422 1 1256 . 1 . 1 120 120 GLN C C 13 173.561 0 . . . . . . . 116 GLN C . 50422 1 1257 . 1 . 1 120 120 GLN CA C 13 55.887 0 . . . . . . . 116 GLN CA . 50422 1 1258 . 1 . 1 120 120 GLN CB C 13 29.029 0 . . . . . . . 116 GLN CB . 50422 1 1259 . 1 . 1 120 120 GLN CG C 13 34.596 0 . . . . . . . 116 GLN CG . 50422 1 1260 . 1 . 1 120 120 GLN N N 15 117.147 0.014 . . . . . . . 116 GLN N . 50422 1 1261 . 1 . 1 121 121 HIS H H 1 7.73 0 . . . . . . . 117 HIS H . 50422 1 1262 . 1 . 1 121 121 HIS HA H 1 4.589 0 . . . . . . . 117 HIS HA . 50422 1 1263 . 1 . 1 121 121 HIS HB2 H 1 2.857 0 . . . . . . . 117 HIS QB . 50422 1 1264 . 1 . 1 121 121 HIS HB3 H 1 2.857 0 . . . . . . . 117 HIS QB . 50422 1 1265 . 1 . 1 121 121 HIS C C 13 173.3 0 . . . . . . . 117 HIS C . 50422 1 1266 . 1 . 1 121 121 HIS CA C 13 55.115 0 . . . . . . . 117 HIS CA . 50422 1 1267 . 1 . 1 121 121 HIS CB C 13 33.334 0 . . . . . . . 117 HIS CB . 50422 1 1268 . 1 . 1 121 121 HIS N N 15 119.225 0.008 . . . . . . . 117 HIS N . 50422 1 1269 . 1 . 1 122 122 GLU H H 1 8.702 0.001 . . . . . . . 118 GLU H . 50422 1 1270 . 1 . 1 122 122 GLU HA H 1 3.97 0 . . . . . . . 118 GLU HA . 50422 1 1271 . 1 . 1 122 122 GLU HB2 H 1 2.165 0 . . . . . . . 118 GLU QB . 50422 1 1272 . 1 . 1 122 122 GLU HB3 H 1 2.165 0 . . . . . . . 118 GLU QB . 50422 1 1273 . 1 . 1 122 122 GLU HG2 H 1 2.418 0 . . . . . . . 118 GLU HG2 . 50422 1 1274 . 1 . 1 122 122 GLU HG3 H 1 2.462 0 . . . . . . . 118 GLU HG3 . 50422 1 1275 . 1 . 1 122 122 GLU C C 13 176.957 0 . . . . . . . 118 GLU C . 50422 1 1276 . 1 . 1 122 122 GLU CA C 13 60.384 0 . . . . . . . 118 GLU CA . 50422 1 1277 . 1 . 1 122 122 GLU CB C 13 30.634 0 . . . . . . . 118 GLU CB . 50422 1 1278 . 1 . 1 122 122 GLU CG C 13 36.604 0 . . . . . . . 118 GLU CG . 50422 1 1279 . 1 . 1 122 122 GLU N N 15 120.726 0.035 . . . . . . . 118 GLU N . 50422 1 1280 . 1 . 1 123 123 VAL H H 1 7.855 0.001 . . . . . . . 119 VAL H . 50422 1 1281 . 1 . 1 123 123 VAL HA H 1 5.556 0 . . . . . . . 119 VAL HA . 50422 1 1282 . 1 . 1 123 123 VAL HB H 1 2.157 0 . . . . . . . 119 VAL HB . 50422 1 1283 . 1 . 1 123 123 VAL HG11 H 1 1.092 0 . . . . . . . 119 VAL QG1 . 50422 1 1284 . 1 . 1 123 123 VAL HG12 H 1 1.092 0 . . . . . . . 119 VAL QG1 . 50422 1 1285 . 1 . 1 123 123 VAL HG13 H 1 1.092 0 . . . . . . . 119 VAL QG1 . 50422 1 1286 . 1 . 1 123 123 VAL HG21 H 1 1.092 0 . . . . . . . 119 VAL QG2 . 50422 1 1287 . 1 . 1 123 123 VAL HG22 H 1 1.092 0 . . . . . . . 119 VAL QG2 . 50422 1 1288 . 1 . 1 123 123 VAL HG23 H 1 1.092 0 . . . . . . . 119 VAL QG2 . 50422 1 1289 . 1 . 1 123 123 VAL C C 13 175.686 0 . . . . . . . 119 VAL C . 50422 1 1290 . 1 . 1 123 123 VAL CA C 13 60.694 0 . . . . . . . 119 VAL CA . 50422 1 1291 . 1 . 1 123 123 VAL CB C 13 34.979 0 . . . . . . . 119 VAL CB . 50422 1 1292 . 1 . 1 123 123 VAL CG1 C 13 22.348 0 . . . . . . . 119 VAL CG1 . 50422 1 1293 . 1 . 1 123 123 VAL CG2 C 13 20.957 0 . . . . . . . 119 VAL CG2 . 50422 1 1294 . 1 . 1 123 123 VAL N N 15 115.378 0.013 . . . . . . . 119 VAL N . 50422 1 1295 . 1 . 1 124 124 LEU H H 1 8.764 0.001 . . . . . . . 120 LEU H . 50422 1 1296 . 1 . 1 124 124 LEU HA H 1 5.033 0 . . . . . . . 120 LEU HA . 50422 1 1297 . 1 . 1 124 124 LEU HB2 H 1 1.295 0 . . . . . . . 120 LEU QB . 50422 1 1298 . 1 . 1 124 124 LEU HB3 H 1 1.295 0 . . . . . . . 120 LEU QB . 50422 1 1299 . 1 . 1 124 124 LEU HG H 1 1.305 0 . . . . . . . 120 LEU HG . 50422 1 1300 . 1 . 1 124 124 LEU HD11 H 1 0.854 0 . . . . . . . 120 LEU QD1 . 50422 1 1301 . 1 . 1 124 124 LEU HD12 H 1 0.854 0 . . . . . . . 120 LEU QD1 . 50422 1 1302 . 1 . 1 124 124 LEU HD13 H 1 0.854 0 . . . . . . . 120 LEU QD1 . 50422 1 1303 . 1 . 1 124 124 LEU C C 13 173.579 0 . . . . . . . 120 LEU C . 50422 1 1304 . 1 . 1 124 124 LEU CA C 13 55.343 0 . . . . . . . 120 LEU CA . 50422 1 1305 . 1 . 1 124 124 LEU CB C 13 45.933 0 . . . . . . . 120 LEU CB . 50422 1 1306 . 1 . 1 124 124 LEU CG C 13 26.894 0 . . . . . . . 120 LEU CG . 50422 1 1307 . 1 . 1 124 124 LEU CD1 C 13 24.321 0 . . . . . . . 120 LEU CD1 . 50422 1 1308 . 1 . 1 124 124 LEU N N 15 126.67 0.002 . . . . . . . 120 LEU N . 50422 1 1309 . 1 . 1 125 125 LEU H H 1 7.859 0.003 . . . . . . . 121 LEU H . 50422 1 1310 . 1 . 1 125 125 LEU HA H 1 5.575 0 . . . . . . . 121 LEU HA . 50422 1 1311 . 1 . 1 125 125 LEU HB2 H 1 2.031 0 . . . . . . . 121 LEU QB . 50422 1 1312 . 1 . 1 125 125 LEU HB3 H 1 2.031 0 . . . . . . . 121 LEU QB . 50422 1 1313 . 1 . 1 125 125 LEU HG H 1 1.6 0 . . . . . . . 121 LEU HG . 50422 1 1314 . 1 . 1 125 125 LEU C C 13 174.563 0 . . . . . . . 121 LEU C . 50422 1 1315 . 1 . 1 125 125 LEU CA C 13 53.917 0 . . . . . . . 121 LEU CA . 50422 1 1316 . 1 . 1 125 125 LEU CB C 13 44.23 0 . . . . . . . 121 LEU CB . 50422 1 1317 . 1 . 1 125 125 LEU CG C 13 26.72 0 . . . . . . . 121 LEU CG . 50422 1 1318 . 1 . 1 125 125 LEU N N 15 123.824 0.037 . . . . . . . 121 LEU N . 50422 1 1319 . 1 . 1 126 126 ALA H H 1 9.633 0.001 . . . . . . . 122 ALA H . 50422 1 1320 . 1 . 1 126 126 ALA HA H 1 5.179 0 . . . . . . . 122 ALA HA . 50422 1 1321 . 1 . 1 126 126 ALA HB1 H 1 1.233 0.002 . . . . . . . 122 ALA HB . 50422 1 1322 . 1 . 1 126 126 ALA HB2 H 1 1.233 0.002 . . . . . . . 122 ALA HB . 50422 1 1323 . 1 . 1 126 126 ALA HB3 H 1 1.233 0.002 . . . . . . . 122 ALA HB . 50422 1 1324 . 1 . 1 126 126 ALA C C 13 172.879 0 . . . . . . . 122 ALA C . 50422 1 1325 . 1 . 1 126 126 ALA CA C 13 50.133 0 . . . . . . . 122 ALA CA . 50422 1 1326 . 1 . 1 126 126 ALA CB C 13 22.914 0 . . . . . . . 122 ALA CB . 50422 1 1327 . 1 . 1 126 126 ALA N N 15 129.529 0.009 . . . . . . . 122 ALA N . 50422 1 1328 . 1 . 1 127 127 PRO HA H 1 5.286 0 . . . . . . . 123 PRO HA . 50422 1 1329 . 1 . 1 127 127 PRO HB2 H 1 2.286 0 . . . . . . . 123 PRO QB . 50422 1 1330 . 1 . 1 127 127 PRO HB3 H 1 2.286 0 . . . . . . . 123 PRO QB . 50422 1 1331 . 1 . 1 127 127 PRO HG2 H 1 1.986 0 . . . . . . . 123 PRO QG . 50422 1 1332 . 1 . 1 127 127 PRO HG3 H 1 1.986 0 . . . . . . . 123 PRO QG . 50422 1 1333 . 1 . 1 127 127 PRO HD2 H 1 3.364 0 . . . . . . . 123 PRO QD . 50422 1 1334 . 1 . 1 127 127 PRO HD3 H 1 3.364 0 . . . . . . . 123 PRO QD . 50422 1 1335 . 1 . 1 127 127 PRO C C 13 174.576 0 . . . . . . . 123 PRO C . 50422 1 1336 . 1 . 1 127 127 PRO CA C 13 60.908 0 . . . . . . . 123 PRO CA . 50422 1 1337 . 1 . 1 127 127 PRO CB C 13 32.093 0 . . . . . . . 123 PRO CB . 50422 1 1338 . 1 . 1 127 127 PRO CG C 13 25.448 0 . . . . . . . 123 PRO CG . 50422 1 1339 . 1 . 1 127 127 PRO CD C 13 49.258 0 . . . . . . . 123 PRO CD . 50422 1 1340 . 1 . 1 128 128 LEU H H 1 8.307 0.002 . . . . . . . 124 LEU H . 50422 1 1341 . 1 . 1 128 128 LEU HA H 1 4.342 0 . . . . . . . 124 LEU HA . 50422 1 1342 . 1 . 1 128 128 LEU HB2 H 1 1.538 0 . . . . . . . 124 LEU QB . 50422 1 1343 . 1 . 1 128 128 LEU HB3 H 1 1.538 0 . . . . . . . 124 LEU QB . 50422 1 1344 . 1 . 1 128 128 LEU HG H 1 1.72 0 . . . . . . . 124 LEU HG . 50422 1 1345 . 1 . 1 128 128 LEU HD11 H 1 0.608 0 . . . . . . . 124 LEU QD1 . 50422 1 1346 . 1 . 1 128 128 LEU HD12 H 1 0.608 0 . . . . . . . 124 LEU QD1 . 50422 1 1347 . 1 . 1 128 128 LEU HD13 H 1 0.608 0 . . . . . . . 124 LEU QD1 . 50422 1 1348 . 1 . 1 128 128 LEU HD21 H 1 0.609 0 . . . . . . . 124 LEU QD2 . 50422 1 1349 . 1 . 1 128 128 LEU HD22 H 1 0.609 0 . . . . . . . 124 LEU QD2 . 50422 1 1350 . 1 . 1 128 128 LEU HD23 H 1 0.609 0 . . . . . . . 124 LEU QD2 . 50422 1 1351 . 1 . 1 128 128 LEU C C 13 178.112 0 . . . . . . . 124 LEU C . 50422 1 1352 . 1 . 1 128 128 LEU CA C 13 54.818 0 . . . . . . . 124 LEU CA . 50422 1 1353 . 1 . 1 128 128 LEU CB C 13 42.821 0 . . . . . . . 124 LEU CB . 50422 1 1354 . 1 . 1 128 128 LEU CG C 13 25.97 0 . . . . . . . 124 LEU CG . 50422 1 1355 . 1 . 1 128 128 LEU CD1 C 13 25.366 0 . . . . . . . 124 LEU CD1 . 50422 1 1356 . 1 . 1 128 128 LEU CD2 C 13 24.731 0 . . . . . . . 124 LEU CD2 . 50422 1 1357 . 1 . 1 128 128 LEU N N 15 114.174 0.017 . . . . . . . 124 LEU N . 50422 1 1358 . 1 . 1 129 129 LEU H H 1 7.411 0.001 . . . . . . . 125 LEU H . 50422 1 1359 . 1 . 1 129 129 LEU HA H 1 4.122 0 . . . . . . . 125 LEU HA . 50422 1 1360 . 1 . 1 129 129 LEU HB2 H 1 0.695 0 . . . . . . . 125 LEU QB . 50422 1 1361 . 1 . 1 129 129 LEU HB3 H 1 0.695 0 . . . . . . . 125 LEU QB . 50422 1 1362 . 1 . 1 129 129 LEU HD11 H 1 0.605 0 . . . . . . . 125 LEU QD1 . 50422 1 1363 . 1 . 1 129 129 LEU HD12 H 1 0.605 0 . . . . . . . 125 LEU QD1 . 50422 1 1364 . 1 . 1 129 129 LEU HD13 H 1 0.605 0 . . . . . . . 125 LEU QD1 . 50422 1 1365 . 1 . 1 129 129 LEU C C 13 177.525 0 . . . . . . . 125 LEU C . 50422 1 1366 . 1 . 1 129 129 LEU CA C 13 54.832 0 . . . . . . . 125 LEU CA . 50422 1 1367 . 1 . 1 129 129 LEU CB C 13 42.841 0 . . . . . . . 125 LEU CB . 50422 1 1368 . 1 . 1 129 129 LEU CG C 13 26.108 0 . . . . . . . 125 LEU CG . 50422 1 1369 . 1 . 1 129 129 LEU CD1 C 13 21.036 0 . . . . . . . 125 LEU CD1 . 50422 1 1370 . 1 . 1 129 129 LEU N N 15 122.539 0.006 . . . . . . . 125 LEU N . 50422 1 1371 . 1 . 1 130 130 SER H H 1 9.589 0.001 . . . . . . . 126 SER H . 50422 1 1372 . 1 . 1 130 130 SER HA H 1 4.331 0 . . . . . . . 126 SER HA . 50422 1 1373 . 1 . 1 130 130 SER HB2 H 1 3.971 0 . . . . . . . 126 SER HB2 . 50422 1 1374 . 1 . 1 130 130 SER HB3 H 1 3.62 0 . . . . . . . 126 SER HB3 . 50422 1 1375 . 1 . 1 130 130 SER C C 13 170.758 0 . . . . . . . 126 SER C . 50422 1 1376 . 1 . 1 130 130 SER CA C 13 63.557 0 . . . . . . . 126 SER CA . 50422 1 1377 . 1 . 1 130 130 SER CB C 13 60.955 0 . . . . . . . 126 SER CB . 50422 1 1378 . 1 . 1 130 130 SER N N 15 112.804 0 . . . . . . . 126 SER N . 50422 1 1379 . 1 . 1 131 131 ALA H H 1 7.065 0 . . . . . . . 127 ALA H . 50422 1 1380 . 1 . 1 131 131 ALA HA H 1 4.825 0 . . . . . . . 127 ALA HA . 50422 1 1381 . 1 . 1 131 131 ALA HB1 H 1 1.481 0.004 . . . . . . . 127 ALA HB . 50422 1 1382 . 1 . 1 131 131 ALA HB2 H 1 1.481 0.004 . . . . . . . 127 ALA HB . 50422 1 1383 . 1 . 1 131 131 ALA HB3 H 1 1.481 0.004 . . . . . . . 127 ALA HB . 50422 1 1384 . 1 . 1 131 131 ALA C C 13 178.152 0 . . . . . . . 127 ALA C . 50422 1 1385 . 1 . 1 131 131 ALA CA C 13 50.911 0 . . . . . . . 127 ALA CA . 50422 1 1386 . 1 . 1 131 131 ALA CB C 13 19.237 0 . . . . . . . 127 ALA CB . 50422 1 1387 . 1 . 1 131 131 ALA N N 15 120.556 0.007 . . . . . . . 127 ALA N . 50422 1 1388 . 1 . 1 132 132 GLY H H 1 9.036 0.001 . . . . . . . 128 GLY H . 50422 1 1389 . 1 . 1 132 132 GLY HA2 H 1 4.439 0 . . . . . . . 128 GLY HA2 . 50422 1 1390 . 1 . 1 132 132 GLY HA3 H 1 3.927 0 . . . . . . . 128 GLY HA3 . 50422 1 1391 . 1 . 1 132 132 GLY C C 13 178.086 0 . . . . . . . 128 GLY C . 50422 1 1392 . 1 . 1 132 132 GLY CA C 13 46.882 0 . . . . . . . 128 GLY CA . 50422 1 1393 . 1 . 1 132 132 GLY N N 15 110.886 0.021 . . . . . . . 128 GLY N . 50422 1 1394 . 1 . 1 133 133 ILE H H 1 8.975 0.002 . . . . . . . 129 ILE H . 50422 1 1395 . 1 . 1 133 133 ILE HA H 1 4.229 0 . . . . . . . 129 ILE HA . 50422 1 1396 . 1 . 1 133 133 ILE HB H 1 2.091 0 . . . . . . . 129 ILE HB . 50422 1 1397 . 1 . 1 133 133 ILE HG12 H 1 1.535 0 . . . . . . . 129 ILE HG12 . 50422 1 1398 . 1 . 1 133 133 ILE HG13 H 1 1.394 0 . . . . . . . 129 ILE HG13 . 50422 1 1399 . 1 . 1 133 133 ILE HG21 H 1 1.075 0 . . . . . . . 129 ILE QG2 . 50422 1 1400 . 1 . 1 133 133 ILE HG22 H 1 1.075 0 . . . . . . . 129 ILE QG2 . 50422 1 1401 . 1 . 1 133 133 ILE HG23 H 1 1.075 0 . . . . . . . 129 ILE QG2 . 50422 1 1402 . 1 . 1 133 133 ILE HD11 H 1 0.88 0 . . . . . . . 129 ILE QD1 . 50422 1 1403 . 1 . 1 133 133 ILE HD12 H 1 0.88 0 . . . . . . . 129 ILE QD1 . 50422 1 1404 . 1 . 1 133 133 ILE HD13 H 1 0.88 0 . . . . . . . 129 ILE QD1 . 50422 1 1405 . 1 . 1 133 133 ILE C C 13 176.687 0 . . . . . . . 129 ILE C . 50422 1 1406 . 1 . 1 133 133 ILE CA C 13 63.93 0 . . . . . . . 129 ILE CA . 50422 1 1407 . 1 . 1 133 133 ILE CB C 13 38.361 0 . . . . . . . 129 ILE CB . 50422 1 1408 . 1 . 1 133 133 ILE CG1 C 13 27.09 0 . . . . . . . 129 ILE CG1 . 50422 1 1409 . 1 . 1 133 133 ILE CG2 C 13 17.773 0 . . . . . . . 129 ILE CG2 . 50422 1 1410 . 1 . 1 133 133 ILE CD1 C 13 13.784 0 . . . . . . . 129 ILE CD1 . 50422 1 1411 . 1 . 1 133 133 ILE N N 15 125.597 0.021 . . . . . . . 129 ILE N . 50422 1 1412 . 1 . 1 134 134 PHE H H 1 7.935 0.002 . . . . . . . 130 PHE H . 50422 1 1413 . 1 . 1 134 134 PHE HA H 1 4.547 0 . . . . . . . 130 PHE HA . 50422 1 1414 . 1 . 1 134 134 PHE HB2 H 1 3.56 0 . . . . . . . 130 PHE HB2 . 50422 1 1415 . 1 . 1 134 134 PHE HB3 H 1 3.142 0 . . . . . . . 130 PHE HB3 . 50422 1 1416 . 1 . 1 134 134 PHE C C 13 178.345 0 . . . . . . . 130 PHE C . 50422 1 1417 . 1 . 1 134 134 PHE CA C 13 58.947 0 . . . . . . . 130 PHE CA . 50422 1 1418 . 1 . 1 134 134 PHE CB C 13 38.956 0 . . . . . . . 130 PHE CB . 50422 1 1419 . 1 . 1 134 134 PHE N N 15 121.483 0 . . . . . . . 130 PHE N . 50422 1 1420 . 1 . 1 135 135 GLY H H 1 7.614 0.001 . . . . . . . 131 GLY H . 50422 1 1421 . 1 . 1 135 135 GLY HA3 H 1 3.914 0 . . . . . . . 131 GLY HA3 . 50422 1 1422 . 1 . 1 135 135 GLY C C 13 174.301 0 . . . . . . . 131 GLY C . 50422 1 1423 . 1 . 1 135 135 GLY CA C 13 47.786 0 . . . . . . . 131 GLY CA . 50422 1 1424 . 1 . 1 135 135 GLY N N 15 103.002 0.023 . . . . . . . 131 GLY N . 50422 1 1425 . 1 . 1 136 136 ALA H H 1 8.981 0.001 . . . . . . . 132 ALA H . 50422 1 1426 . 1 . 1 136 136 ALA HA H 1 4.476 0.006 . . . . . . . 132 ALA HA . 50422 1 1427 . 1 . 1 136 136 ALA HB1 H 1 1.298 0.012 . . . . . . . 132 ALA HB . 50422 1 1428 . 1 . 1 136 136 ALA HB2 H 1 1.298 0.012 . . . . . . . 132 ALA HB . 50422 1 1429 . 1 . 1 136 136 ALA HB3 H 1 1.298 0.012 . . . . . . . 132 ALA HB . 50422 1 1430 . 1 . 1 136 136 ALA C C 13 176.813 0 . . . . . . . 132 ALA C . 50422 1 1431 . 1 . 1 136 136 ALA CA C 13 51.713 0 . . . . . . . 132 ALA CA . 50422 1 1432 . 1 . 1 136 136 ALA CB C 13 19.463 0 . . . . . . . 132 ALA CB . 50422 1 1433 . 1 . 1 136 136 ALA N N 15 122.724 0.021 . . . . . . . 132 ALA N . 50422 1 1434 . 1 . 1 137 137 ASP H H 1 8.733 0 . . . . . . . 133 ASP H . 50422 1 1435 . 1 . 1 137 137 ASP HA H 1 5.268 0 . . . . . . . 133 ASP HA . 50422 1 1436 . 1 . 1 137 137 ASP HB2 H 1 2.834 0 . . . . . . . 133 ASP QB . 50422 1 1437 . 1 . 1 137 137 ASP HB3 H 1 2.834 0 . . . . . . . 133 ASP QB . 50422 1 1438 . 1 . 1 137 137 ASP C C 13 176.255 0 . . . . . . . 133 ASP C . 50422 1 1439 . 1 . 1 137 137 ASP CA C 13 51.905 0 . . . . . . . 133 ASP CA . 50422 1 1440 . 1 . 1 137 137 ASP CB C 13 42.189 0 . . . . . . . 133 ASP CB . 50422 1 1441 . 1 . 1 137 137 ASP N N 15 122.928 0.007 . . . . . . . 133 ASP N . 50422 1 1442 . 1 . 1 138 138 PRO HA H 1 4.25 0 . . . . . . . 134 PRO HA . 50422 1 1443 . 1 . 1 138 138 PRO HB2 H 1 2.359 0 . . . . . . . 134 PRO HB2 . 50422 1 1444 . 1 . 1 138 138 PRO HB3 H 1 2.003 0 . . . . . . . 134 PRO HB3 . 50422 1 1445 . 1 . 1 138 138 PRO HG2 H 1 2.28 0 . . . . . . . 134 PRO HG2 . 50422 1 1446 . 1 . 1 138 138 PRO HG3 H 1 2.194 0 . . . . . . . 134 PRO HG3 . 50422 1 1447 . 1 . 1 138 138 PRO HD2 H 1 4.259 0 . . . . . . . 134 PRO HD2 . 50422 1 1448 . 1 . 1 138 138 PRO HD3 H 1 4.116 0 . . . . . . . 134 PRO HD3 . 50422 1 1449 . 1 . 1 138 138 PRO C C 13 177.615 0 . . . . . . . 134 PRO C . 50422 1 1450 . 1 . 1 138 138 PRO CA C 13 65.06 0 . . . . . . . 134 PRO CA . 50422 1 1451 . 1 . 1 138 138 PRO CB C 13 32.892 0 . . . . . . . 134 PRO CB . 50422 1 1452 . 1 . 1 138 138 PRO CG C 13 27.884 0 . . . . . . . 134 PRO CG . 50422 1 1453 . 1 . 1 138 138 PRO CD C 13 51.21 0 . . . . . . . 134 PRO CD . 50422 1 1454 . 1 . 1 139 139 ILE H H 1 7.945 0.001 . . . . . . . 135 ILE H . 50422 1 1455 . 1 . 1 139 139 ILE HA H 1 3.683 0 . . . . . . . 135 ILE HA . 50422 1 1456 . 1 . 1 139 139 ILE HB H 1 2.174 0 . . . . . . . 135 ILE HB . 50422 1 1457 . 1 . 1 139 139 ILE HG12 H 1 1.271 0 . . . . . . . 135 ILE QG1 . 50422 1 1458 . 1 . 1 139 139 ILE HG13 H 1 1.271 0 . . . . . . . 135 ILE QG1 . 50422 1 1459 . 1 . 1 139 139 ILE HG21 H 1 0.955 0 . . . . . . . 135 ILE QG2 . 50422 1 1460 . 1 . 1 139 139 ILE HG22 H 1 0.955 0 . . . . . . . 135 ILE QG2 . 50422 1 1461 . 1 . 1 139 139 ILE HG23 H 1 0.955 0 . . . . . . . 135 ILE QG2 . 50422 1 1462 . 1 . 1 139 139 ILE HD11 H 1 0.957 0 . . . . . . . 135 ILE QD1 . 50422 1 1463 . 1 . 1 139 139 ILE HD12 H 1 0.957 0 . . . . . . . 135 ILE QD1 . 50422 1 1464 . 1 . 1 139 139 ILE HD13 H 1 0.957 0 . . . . . . . 135 ILE QD1 . 50422 1 1465 . 1 . 1 139 139 ILE C C 13 178.32 0 . . . . . . . 135 ILE C . 50422 1 1466 . 1 . 1 139 139 ILE CA C 13 66.086 0 . . . . . . . 135 ILE CA . 50422 1 1467 . 1 . 1 139 139 ILE CB C 13 36.687 0 . . . . . . . 135 ILE CB . 50422 1 1468 . 1 . 1 139 139 ILE CG1 C 13 29.958 0 . . . . . . . 135 ILE CG1 . 50422 1 1469 . 1 . 1 139 139 ILE CG2 C 13 17.468 0 . . . . . . . 135 ILE CG2 . 50422 1 1470 . 1 . 1 139 139 ILE CD1 C 13 13.219 0 . . . . . . . 135 ILE CD1 . 50422 1 1471 . 1 . 1 139 139 ILE N N 15 118.365 0.12 . . . . . . . 135 ILE N . 50422 1 1472 . 1 . 1 140 140 HIS H H 1 7.555 0.001 . . . . . . . 136 HIS H . 50422 1 1473 . 1 . 1 140 140 HIS HA H 1 4.385 0 . . . . . . . 136 HIS HA . 50422 1 1474 . 1 . 1 140 140 HIS HB2 H 1 3.376 0 . . . . . . . 136 HIS QB . 50422 1 1475 . 1 . 1 140 140 HIS HB3 H 1 3.376 0 . . . . . . . 136 HIS QB . 50422 1 1476 . 1 . 1 140 140 HIS C C 13 176.635 0 . . . . . . . 136 HIS C . 50422 1 1477 . 1 . 1 140 140 HIS CA C 13 59.473 0 . . . . . . . 136 HIS CA . 50422 1 1478 . 1 . 1 140 140 HIS CB C 13 29.807 0 . . . . . . . 136 HIS CB . 50422 1 1479 . 1 . 1 140 140 HIS N N 15 119.733 0.007 . . . . . . . 136 HIS N . 50422 1 1480 . 1 . 1 141 141 SER H H 1 8.142 0 . . . . . . . 137 SER H . 50422 1 1481 . 1 . 1 141 141 SER HA H 1 4.114 0 . . . . . . . 137 SER HA . 50422 1 1482 . 1 . 1 141 141 SER HB2 H 1 3.965 0 . . . . . . . 137 SER QB . 50422 1 1483 . 1 . 1 141 141 SER HB3 H 1 3.965 0 . . . . . . . 137 SER QB . 50422 1 1484 . 1 . 1 141 141 SER C C 13 176.66 0 . . . . . . . 137 SER C . 50422 1 1485 . 1 . 1 141 141 SER CA C 13 61.299 0 . . . . . . . 137 SER CA . 50422 1 1486 . 1 . 1 141 141 SER CB C 13 63.439 0 . . . . . . . 137 SER CB . 50422 1 1487 . 1 . 1 141 141 SER N N 15 110.319 0.016 . . . . . . . 137 SER N . 50422 1 1488 . 1 . 1 142 142 LEU H H 1 8.317 0.001 . . . . . . . 138 LEU H . 50422 1 1489 . 1 . 1 142 142 LEU HA H 1 3.845 0 . . . . . . . 138 LEU HA . 50422 1 1490 . 1 . 1 142 142 LEU HB2 H 1 2.056 0 . . . . . . . 138 LEU HB2 . 50422 1 1491 . 1 . 1 142 142 LEU HB3 H 1 1.43 0 . . . . . . . 138 LEU HB3 . 50422 1 1492 . 1 . 1 142 142 LEU HG H 1 1.294 0 . . . . . . . 138 LEU HG . 50422 1 1493 . 1 . 1 142 142 LEU HD11 H 1 0.679 0 . . . . . . . 138 LEU QD1 . 50422 1 1494 . 1 . 1 142 142 LEU HD12 H 1 0.679 0 . . . . . . . 138 LEU QD1 . 50422 1 1495 . 1 . 1 142 142 LEU HD13 H 1 0.679 0 . . . . . . . 138 LEU QD1 . 50422 1 1496 . 1 . 1 142 142 LEU HD21 H 1 0.571 0 . . . . . . . 138 LEU QD2 . 50422 1 1497 . 1 . 1 142 142 LEU HD22 H 1 0.571 0 . . . . . . . 138 LEU QD2 . 50422 1 1498 . 1 . 1 142 142 LEU HD23 H 1 0.571 0 . . . . . . . 138 LEU QD2 . 50422 1 1499 . 1 . 1 142 142 LEU C C 13 177.34 0 . . . . . . . 138 LEU C . 50422 1 1500 . 1 . 1 142 142 LEU CA C 13 57.754 0 . . . . . . . 138 LEU CA . 50422 1 1501 . 1 . 1 142 142 LEU CB C 13 41.113 0 . . . . . . . 138 LEU CB . 50422 1 1502 . 1 . 1 142 142 LEU CG C 13 26.88 0 . . . . . . . 138 LEU CG . 50422 1 1503 . 1 . 1 142 142 LEU CD1 C 13 25.126 0 . . . . . . . 138 LEU CD1 . 50422 1 1504 . 1 . 1 142 142 LEU CD2 C 13 23.377 0 . . . . . . . 138 LEU CD2 . 50422 1 1505 . 1 . 1 142 142 LEU N N 15 118.881 0.057 . . . . . . . 138 LEU N . 50422 1 1506 . 1 . 1 143 143 ARG H H 1 8.022 0.002 . . . . . . . 139 ARG H . 50422 1 1507 . 1 . 1 143 143 ARG HA H 1 3.885 0 . . . . . . . 139 ARG HA . 50422 1 1508 . 1 . 1 143 143 ARG HB2 H 1 1.997 0 . . . . . . . 139 ARG HB . 50422 1 1509 . 1 . 1 143 143 ARG HB3 H 1 1.997 0 . . . . . . . 139 ARG HB . 50422 1 1510 . 1 . 1 143 143 ARG HG2 H 1 1.73 0 . . . . . . . 139 ARG QG . 50422 1 1511 . 1 . 1 143 143 ARG HG3 H 1 1.73 0 . . . . . . . 139 ARG QG . 50422 1 1512 . 1 . 1 143 143 ARG HD2 H 1 3.216 0 . . . . . . . 139 ARG QD . 50422 1 1513 . 1 . 1 143 143 ARG HD3 H 1 3.216 0 . . . . . . . 139 ARG QD . 50422 1 1514 . 1 . 1 143 143 ARG C C 13 178.124 0 . . . . . . . 139 ARG C . 50422 1 1515 . 1 . 1 143 143 ARG CA C 13 59.51 0 . . . . . . . 139 ARG CA . 50422 1 1516 . 1 . 1 143 143 ARG CB C 13 29.47 0 . . . . . . . 139 ARG CB . 50422 1 1517 . 1 . 1 143 143 ARG CG C 13 26.707 0 . . . . . . . 139 ARG CG . 50422 1 1518 . 1 . 1 143 143 ARG CD C 13 43.074 0 . . . . . . . 139 ARG CD . 50422 1 1519 . 1 . 1 143 143 ARG N N 15 119.896 0.005 . . . . . . . 139 ARG N . 50422 1 1520 . 1 . 1 144 144 VAL H H 1 8.232 0 . . . . . . . 140 VAL H . 50422 1 1521 . 1 . 1 144 144 VAL HA H 1 3.577 0 . . . . . . . 140 VAL HA . 50422 1 1522 . 1 . 1 144 144 VAL HB H 1 1.819 0 . . . . . . . 140 VAL HB . 50422 1 1523 . 1 . 1 144 144 VAL HG11 H 1 0.679 0 . . . . . . . 140 VAL QG1 . 50422 1 1524 . 1 . 1 144 144 VAL HG12 H 1 0.679 0 . . . . . . . 140 VAL QG1 . 50422 1 1525 . 1 . 1 144 144 VAL HG13 H 1 0.679 0 . . . . . . . 140 VAL QG1 . 50422 1 1526 . 1 . 1 144 144 VAL HG21 H 1 0.683 0 . . . . . . . 140 VAL QG2 . 50422 1 1527 . 1 . 1 144 144 VAL HG22 H 1 0.683 0 . . . . . . . 140 VAL QG2 . 50422 1 1528 . 1 . 1 144 144 VAL HG23 H 1 0.683 0 . . . . . . . 140 VAL QG2 . 50422 1 1529 . 1 . 1 144 144 VAL C C 13 178.685 0 . . . . . . . 140 VAL C . 50422 1 1530 . 1 . 1 144 144 VAL CA C 13 66.46 0 . . . . . . . 140 VAL CA . 50422 1 1531 . 1 . 1 144 144 VAL CB C 13 31.142 0 . . . . . . . 140 VAL CB . 50422 1 1532 . 1 . 1 144 144 VAL CG1 C 13 21.998 0 . . . . . . . 140 VAL CG1 . 50422 1 1533 . 1 . 1 144 144 VAL CG2 C 13 21.841 0 . . . . . . . 140 VAL CG2 . 50422 1 1534 . 1 . 1 144 144 VAL N N 15 118.42 0.019 . . . . . . . 140 VAL N . 50422 1 1535 . 1 . 1 145 145 CYS H H 1 7.981 0.001 . . . . . . . 141 CYS H . 50422 1 1536 . 1 . 1 145 145 CYS HA H 1 3.91 0 . . . . . . . 141 CYS HA . 50422 1 1537 . 1 . 1 145 145 CYS HB2 H 1 2.909 0 . . . . . . . 141 CYS QB . 50422 1 1538 . 1 . 1 145 145 CYS HB3 H 1 2.909 0 . . . . . . . 141 CYS QB . 50422 1 1539 . 1 . 1 145 145 CYS C C 13 176 0 . . . . . . . 141 CYS C . 50422 1 1540 . 1 . 1 145 145 CYS CA C 13 62.96 0 . . . . . . . 141 CYS CA . 50422 1 1541 . 1 . 1 145 145 CYS CB C 13 25.618 0 . . . . . . . 141 CYS CB . 50422 1 1542 . 1 . 1 145 145 CYS N N 15 123.487 0.013 . . . . . . . 141 CYS N . 50422 1 1543 . 1 . 1 146 146 VAL H H 1 8.324 0.001 . . . . . . . 142 VAL H . 50422 1 1544 . 1 . 1 146 146 VAL HA H 1 3.589 0 . . . . . . . 142 VAL HA . 50422 1 1545 . 1 . 1 146 146 VAL HB H 1 2.215 0 . . . . . . . 142 VAL HB . 50422 1 1546 . 1 . 1 146 146 VAL HG11 H 1 0.947 0 . . . . . . . 142 VAL QG1 . 50422 1 1547 . 1 . 1 146 146 VAL HG12 H 1 0.947 0 . . . . . . . 142 VAL QG1 . 50422 1 1548 . 1 . 1 146 146 VAL HG13 H 1 0.947 0 . . . . . . . 142 VAL QG1 . 50422 1 1549 . 1 . 1 146 146 VAL C C 13 177.868 0 . . . . . . . 142 VAL C . 50422 1 1550 . 1 . 1 146 146 VAL CA C 13 65.828 0 . . . . . . . 142 VAL CA . 50422 1 1551 . 1 . 1 146 146 VAL CB C 13 31.633 0 . . . . . . . 142 VAL CB . 50422 1 1552 . 1 . 1 146 146 VAL CG1 C 13 22.108 0 . . . . . . . 142 VAL CG1 . 50422 1 1553 . 1 . 1 146 146 VAL N N 15 115.574 0.018 . . . . . . . 142 VAL N . 50422 1 1554 . 1 . 1 147 147 ASP H H 1 7.879 0 . . . . . . . 143 ASP H . 50422 1 1555 . 1 . 1 147 147 ASP HA H 1 4.598 0 . . . . . . . 143 ASP HA . 50422 1 1556 . 1 . 1 147 147 ASP HB2 H 1 2.67 0 . . . . . . . 143 ASP QB . 50422 1 1557 . 1 . 1 147 147 ASP HB3 H 1 2.67 0 . . . . . . . 143 ASP QB . 50422 1 1558 . 1 . 1 147 147 ASP C C 13 176.922 0 . . . . . . . 143 ASP C . 50422 1 1559 . 1 . 1 147 147 ASP CA C 13 55.863 0 . . . . . . . 143 ASP CA . 50422 1 1560 . 1 . 1 147 147 ASP CB C 13 41.549 0 . . . . . . . 143 ASP CB . 50422 1 1561 . 1 . 1 147 147 ASP N N 15 117.203 0.012 . . . . . . . 143 ASP N . 50422 1 1562 . 1 . 1 148 148 THR H H 1 7.707 0.003 . . . . . . . 144 THR H . 50422 1 1563 . 1 . 1 148 148 THR HA H 1 4.184 0.006 . . . . . . . 144 THR HA . 50422 1 1564 . 1 . 1 148 148 THR HB H 1 3.716 0.008 . . . . . . . 144 THR HB . 50422 1 1565 . 1 . 1 148 148 THR HG21 H 1 1.202 0 . . . . . . . 144 THR QG2 . 50422 1 1566 . 1 . 1 148 148 THR HG22 H 1 1.202 0 . . . . . . . 144 THR QG2 . 50422 1 1567 . 1 . 1 148 148 THR HG23 H 1 1.202 0 . . . . . . . 144 THR QG2 . 50422 1 1568 . 1 . 1 148 148 THR C C 13 174.624 0 . . . . . . . 144 THR C . 50422 1 1569 . 1 . 1 148 148 THR CA C 13 65.253 0 . . . . . . . 144 THR CA . 50422 1 1570 . 1 . 1 148 148 THR CB C 13 70.81 0 . . . . . . . 144 THR CB . 50422 1 1571 . 1 . 1 148 148 THR CG2 C 13 21.571 0 . . . . . . . 144 THR CG2 . 50422 1 1572 . 1 . 1 148 148 THR N N 15 114.582 0.018 . . . . . . . 144 THR N . 50422 1 1573 . 1 . 1 149 149 VAL H H 1 8.59 0 . . . . . . . 145 VAL H . 50422 1 1574 . 1 . 1 149 149 VAL HA H 1 4.079 0 . . . . . . . 145 VAL HA . 50422 1 1575 . 1 . 1 149 149 VAL HB H 1 2.11 0 . . . . . . . 145 VAL HB . 50422 1 1576 . 1 . 1 149 149 VAL HG11 H 1 0.898 0 . . . . . . . 145 VAL QG1 . 50422 1 1577 . 1 . 1 149 149 VAL HG12 H 1 0.898 0 . . . . . . . 145 VAL QG1 . 50422 1 1578 . 1 . 1 149 149 VAL HG13 H 1 0.898 0 . . . . . . . 145 VAL QG1 . 50422 1 1579 . 1 . 1 149 149 VAL HG21 H 1 0.988 0 . . . . . . . 145 VAL QG2 . 50422 1 1580 . 1 . 1 149 149 VAL HG22 H 1 0.988 0 . . . . . . . 145 VAL QG2 . 50422 1 1581 . 1 . 1 149 149 VAL HG23 H 1 0.988 0 . . . . . . . 145 VAL QG2 . 50422 1 1582 . 1 . 1 149 149 VAL C C 13 176.764 0 . . . . . . . 145 VAL C . 50422 1 1583 . 1 . 1 149 149 VAL CA C 13 64.214 0 . . . . . . . 145 VAL CA . 50422 1 1584 . 1 . 1 149 149 VAL CB C 13 31.318 0 . . . . . . . 145 VAL CB . 50422 1 1585 . 1 . 1 149 149 VAL CG1 C 13 23.222 0 . . . . . . . 145 VAL CG1 . 50422 1 1586 . 1 . 1 149 149 VAL CG2 C 13 22.969 0 . . . . . . . 145 VAL CG2 . 50422 1 1587 . 1 . 1 149 149 VAL N N 15 122.917 0.032 . . . . . . . 145 VAL N . 50422 1 1588 . 1 . 1 150 150 ARG H H 1 10.243 0.001 . . . . . . . 146 ARG H . 50422 1 1589 . 1 . 1 150 150 ARG HA H 1 4.512 0 . . . . . . . 146 ARG HA . 50422 1 1590 . 1 . 1 150 150 ARG HB2 H 1 1.907 0 . . . . . . . 146 ARG HB2 . 50422 1 1591 . 1 . 1 150 150 ARG HB3 H 1 1.717 0 . . . . . . . 146 ARG HB3 . 50422 1 1592 . 1 . 1 150 150 ARG HG2 H 1 1.647 0 . . . . . . . 146 ARG QG . 50422 1 1593 . 1 . 1 150 150 ARG HG3 H 1 1.647 0 . . . . . . . 146 ARG QG . 50422 1 1594 . 1 . 1 150 150 ARG HD2 H 1 3.031 0 . . . . . . . 146 ARG QD . 50422 1 1595 . 1 . 1 150 150 ARG HD3 H 1 3.031 0 . . . . . . . 146 ARG QD . 50422 1 1596 . 1 . 1 150 150 ARG C C 13 177.03 0 . . . . . . . 146 ARG C . 50422 1 1597 . 1 . 1 150 150 ARG CA C 13 55.498 0 . . . . . . . 146 ARG CA . 50422 1 1598 . 1 . 1 150 150 ARG CB C 13 31.814 0 . . . . . . . 146 ARG CB . 50422 1 1599 . 1 . 1 150 150 ARG CG C 13 27.047 0 . . . . . . . 146 ARG CG . 50422 1 1600 . 1 . 1 150 150 ARG CD C 13 42.437 0 . . . . . . . 146 ARG CD . 50422 1 1601 . 1 . 1 150 150 ARG N N 15 127.08 0.016 . . . . . . . 146 ARG N . 50422 1 1602 . 1 . 1 151 151 THR H H 1 7.342 0.001 . . . . . . . 147 THR H . 50422 1 1603 . 1 . 1 151 151 THR HA H 1 4.482 0.003 . . . . . . . 147 THR HA . 50422 1 1604 . 1 . 1 151 151 THR HB H 1 4.792 0.003 . . . . . . . 147 THR HB . 50422 1 1605 . 1 . 1 151 151 THR HG21 H 1 1.158 0 . . . . . . . 147 THR QG2 . 50422 1 1606 . 1 . 1 151 151 THR HG22 H 1 1.158 0 . . . . . . . 147 THR QG2 . 50422 1 1607 . 1 . 1 151 151 THR HG23 H 1 1.158 0 . . . . . . . 147 THR QG2 . 50422 1 1608 . 1 . 1 151 151 THR C C 13 172.977 0 . . . . . . . 147 THR C . 50422 1 1609 . 1 . 1 151 151 THR CA C 13 60.726 0 . . . . . . . 147 THR CA . 50422 1 1610 . 1 . 1 151 151 THR CB C 13 68.25 0 . . . . . . . 147 THR CB . 50422 1 1611 . 1 . 1 151 151 THR CG2 C 13 24.023 0 . . . . . . . 147 THR CG2 . 50422 1 1612 . 1 . 1 151 151 THR N N 15 113.223 0.015 . . . . . . . 147 THR N . 50422 1 1613 . 1 . 1 152 152 ASN H H 1 7.83 0.001 . . . . . . . 148 ASN H . 50422 1 1614 . 1 . 1 152 152 ASN HA H 1 5.444 0 . . . . . . . 148 ASN HA . 50422 1 1615 . 1 . 1 152 152 ASN HB2 H 1 3.242 0 . . . . . . . 148 ASN HB2 . 50422 1 1616 . 1 . 1 152 152 ASN HB3 H 1 2.492 0 . . . . . . . 148 ASN HB3 . 50422 1 1617 . 1 . 1 152 152 ASN C C 13 172.631 0 . . . . . . . 148 ASN C . 50422 1 1618 . 1 . 1 152 152 ASN CA C 13 54.205 0 . . . . . . . 148 ASN CA . 50422 1 1619 . 1 . 1 152 152 ASN CB C 13 39.983 0 . . . . . . . 148 ASN CB . 50422 1 1620 . 1 . 1 152 152 ASN N N 15 115.918 0.019 . . . . . . . 148 ASN N . 50422 1 1621 . 1 . 1 153 153 VAL H H 1 8.847 0.002 . . . . . . . 149 VAL H . 50422 1 1622 . 1 . 1 153 153 VAL HA H 1 4.738 0 . . . . . . . 149 VAL HA . 50422 1 1623 . 1 . 1 153 153 VAL HB H 1 1.932 0 . . . . . . . 149 VAL HB . 50422 1 1624 . 1 . 1 153 153 VAL HG11 H 1 1.02 0 . . . . . . . 149 VAL QG1 . 50422 1 1625 . 1 . 1 153 153 VAL HG12 H 1 1.02 0 . . . . . . . 149 VAL QG1 . 50422 1 1626 . 1 . 1 153 153 VAL HG13 H 1 1.02 0 . . . . . . . 149 VAL QG1 . 50422 1 1627 . 1 . 1 153 153 VAL HG21 H 1 1.02 0 . . . . . . . 149 VAL QG2 . 50422 1 1628 . 1 . 1 153 153 VAL HG22 H 1 1.02 0 . . . . . . . 149 VAL QG2 . 50422 1 1629 . 1 . 1 153 153 VAL HG23 H 1 1.02 0 . . . . . . . 149 VAL QG2 . 50422 1 1630 . 1 . 1 153 153 VAL C C 13 171.027 0 . . . . . . . 149 VAL C . 50422 1 1631 . 1 . 1 153 153 VAL CA C 13 59.66 0 . . . . . . . 149 VAL CA . 50422 1 1632 . 1 . 1 153 153 VAL CB C 13 34.839 0 . . . . . . . 149 VAL CB . 50422 1 1633 . 1 . 1 153 153 VAL CG1 C 13 23.602 0 . . . . . . . 149 VAL CG1 . 50422 1 1634 . 1 . 1 153 153 VAL CG2 C 13 21.604 0 . . . . . . . 149 VAL CG2 . 50422 1 1635 . 1 . 1 153 153 VAL N N 15 123.754 0.001 . . . . . . . 149 VAL N . 50422 1 1636 . 1 . 1 154 154 TYR H H 1 8.693 0 . . . . . . . 150 TYR H . 50422 1 1637 . 1 . 1 154 154 TYR HA H 1 4.141 0 . . . . . . . 150 TYR HA . 50422 1 1638 . 1 . 1 154 154 TYR HB2 H 1 2.05 0 . . . . . . . 150 TYR QB . 50422 1 1639 . 1 . 1 154 154 TYR HB3 H 1 2.05 0 . . . . . . . 150 TYR QB . 50422 1 1640 . 1 . 1 154 154 TYR C C 13 174.065 0 . . . . . . . 150 TYR C . 50422 1 1641 . 1 . 1 154 154 TYR CA C 13 57.145 0 . . . . . . . 150 TYR CA . 50422 1 1642 . 1 . 1 154 154 TYR CB C 13 37.982 0 . . . . . . . 150 TYR CB . 50422 1 1643 . 1 . 1 154 154 TYR N N 15 129.337 0 . . . . . . . 150 TYR N . 50422 1 1644 . 1 . 1 155 155 LEU H H 1 9.043 0.001 . . . . . . . 151 LEU H . 50422 1 1645 . 1 . 1 155 155 LEU HA H 1 5.692 0 . . . . . . . 151 LEU HA . 50422 1 1646 . 1 . 1 155 155 LEU HB2 H 1 1.14 0 . . . . . . . 151 LEU QB . 50422 1 1647 . 1 . 1 155 155 LEU HB3 H 1 1.14 0 . . . . . . . 151 LEU QB . 50422 1 1648 . 1 . 1 155 155 LEU HG H 1 1.73 0 . . . . . . . 151 LEU HG . 50422 1 1649 . 1 . 1 155 155 LEU HD11 H 1 0.854 0 . . . . . . . 151 LEU QD1 . 50422 1 1650 . 1 . 1 155 155 LEU HD12 H 1 0.854 0 . . . . . . . 151 LEU QD1 . 50422 1 1651 . 1 . 1 155 155 LEU HD13 H 1 0.854 0 . . . . . . . 151 LEU QD1 . 50422 1 1652 . 1 . 1 155 155 LEU HD21 H 1 0.834 0 . . . . . . . 151 LEU QD2 . 50422 1 1653 . 1 . 1 155 155 LEU HD22 H 1 0.834 0 . . . . . . . 151 LEU QD2 . 50422 1 1654 . 1 . 1 155 155 LEU HD23 H 1 0.834 0 . . . . . . . 151 LEU QD2 . 50422 1 1655 . 1 . 1 155 155 LEU C C 13 176.059 0 . . . . . . . 151 LEU C . 50422 1 1656 . 1 . 1 155 155 LEU CA C 13 53.521 0 . . . . . . . 151 LEU CA . 50422 1 1657 . 1 . 1 155 155 LEU CB C 13 45.141 0 . . . . . . . 151 LEU CB . 50422 1 1658 . 1 . 1 155 155 LEU CG C 13 26.868 0 . . . . . . . 151 LEU CG . 50422 1 1659 . 1 . 1 155 155 LEU CD1 C 13 24.029 0 . . . . . . . 151 LEU CD1 . 50422 1 1660 . 1 . 1 155 155 LEU CD2 C 13 23.332 0 . . . . . . . 151 LEU CD2 . 50422 1 1661 . 1 . 1 155 155 LEU N N 15 123.347 0.029 . . . . . . . 151 LEU N . 50422 1 1662 . 1 . 1 156 156 ALA H H 1 8.248 0.001 . . . . . . . 152 ALA H . 50422 1 1663 . 1 . 1 156 156 ALA HA H 1 5.28 0.001 . . . . . . . 152 ALA HA . 50422 1 1664 . 1 . 1 156 156 ALA HB1 H 1 1.215 0.006 . . . . . . . 152 ALA HB . 50422 1 1665 . 1 . 1 156 156 ALA HB2 H 1 1.215 0.006 . . . . . . . 152 ALA HB . 50422 1 1666 . 1 . 1 156 156 ALA HB3 H 1 1.215 0.006 . . . . . . . 152 ALA HB . 50422 1 1667 . 1 . 1 156 156 ALA C C 13 176.837 0 . . . . . . . 152 ALA C . 50422 1 1668 . 1 . 1 156 156 ALA CA C 13 50.258 0 . . . . . . . 152 ALA CA . 50422 1 1669 . 1 . 1 156 156 ALA CB C 13 19.078 0 . . . . . . . 152 ALA CB . 50422 1 1670 . 1 . 1 156 156 ALA N N 15 124.672 0.009 . . . . . . . 152 ALA N . 50422 1 1671 . 1 . 1 157 157 VAL H H 1 8.793 0.001 . . . . . . . 153 VAL H . 50422 1 1672 . 1 . 1 157 157 VAL HA H 1 4.53 0 . . . . . . . 153 VAL HA . 50422 1 1673 . 1 . 1 157 157 VAL HB H 1 2.227 0 . . . . . . . 153 VAL HB . 50422 1 1674 . 1 . 1 157 157 VAL HG11 H 1 1.187 0 . . . . . . . 153 VAL QG1 . 50422 1 1675 . 1 . 1 157 157 VAL HG12 H 1 1.187 0 . . . . . . . 153 VAL QG1 . 50422 1 1676 . 1 . 1 157 157 VAL HG13 H 1 1.187 0 . . . . . . . 153 VAL QG1 . 50422 1 1677 . 1 . 1 157 157 VAL HG21 H 1 1.1 0 . . . . . . . 153 VAL QG2 . 50422 1 1678 . 1 . 1 157 157 VAL HG22 H 1 1.1 0 . . . . . . . 153 VAL QG2 . 50422 1 1679 . 1 . 1 157 157 VAL HG23 H 1 1.1 0 . . . . . . . 153 VAL QG2 . 50422 1 1680 . 1 . 1 157 157 VAL C C 13 175.552 0 . . . . . . . 153 VAL C . 50422 1 1681 . 1 . 1 157 157 VAL CA C 13 61.636 0 . . . . . . . 153 VAL CA . 50422 1 1682 . 1 . 1 157 157 VAL CB C 13 35.288 0 . . . . . . . 153 VAL CB . 50422 1 1683 . 1 . 1 157 157 VAL CG1 C 13 20.95 0 . . . . . . . 153 VAL CG1 . 50422 1 1684 . 1 . 1 157 157 VAL CG2 C 13 20.611 0 . . . . . . . 153 VAL CG2 . 50422 1 1685 . 1 . 1 157 157 VAL N N 15 124.394 0 . . . . . . . 153 VAL N . 50422 1 1686 . 1 . 1 158 158 PHE H H 1 8.934 0.002 . . . . . . . 154 PHE H . 50422 1 1687 . 1 . 1 158 158 PHE HA H 1 4.006 0 . . . . . . . 154 PHE HA . 50422 1 1688 . 1 . 1 158 158 PHE HB2 H 1 3.473 0 . . . . . . . 154 PHE HB2 . 50422 1 1689 . 1 . 1 158 158 PHE HB3 H 1 3.224 0 . . . . . . . 154 PHE HB3 . 50422 1 1690 . 1 . 1 158 158 PHE C C 13 175.705 0 . . . . . . . 154 PHE C . 50422 1 1691 . 1 . 1 158 158 PHE CA C 13 61.237 0 . . . . . . . 154 PHE CA . 50422 1 1692 . 1 . 1 158 158 PHE CB C 13 40.037 0 . . . . . . . 154 PHE CB . 50422 1 1693 . 1 . 1 158 158 PHE N N 15 131.282 0.011 . . . . . . . 154 PHE N . 50422 1 1694 . 1 . 1 159 159 ASP H H 1 8.262 0 . . . . . . . 155 ASP H . 50422 1 1695 . 1 . 1 159 159 ASP HA H 1 4.385 0 . . . . . . . 155 ASP HA . 50422 1 1696 . 1 . 1 159 159 ASP HB2 H 1 2.822 0 . . . . . . . 155 ASP QB . 50422 1 1697 . 1 . 1 159 159 ASP HB3 H 1 2.822 0 . . . . . . . 155 ASP QB . 50422 1 1698 . 1 . 1 159 159 ASP C C 13 176.079 0 . . . . . . . 155 ASP C . 50422 1 1699 . 1 . 1 159 159 ASP CA C 13 54.75 0 . . . . . . . 155 ASP CA . 50422 1 1700 . 1 . 1 159 159 ASP CB C 13 42.474 0 . . . . . . . 155 ASP CB . 50422 1 1701 . 1 . 1 159 159 ASP N N 15 120.436 0 . . . . . . . 155 ASP N . 50422 1 1702 . 1 . 1 160 160 LYS H H 1 8.826 0.006 . . . . . . . 156 LYS H . 50422 1 1703 . 1 . 1 160 160 LYS HA H 1 3.863 0 . . . . . . . 156 LYS HA . 50422 1 1704 . 1 . 1 160 160 LYS HB2 H 1 1.897 0 . . . . . . . 156 LYS QB . 50422 1 1705 . 1 . 1 160 160 LYS HB3 H 1 1.897 0 . . . . . . . 156 LYS QB . 50422 1 1706 . 1 . 1 160 160 LYS HG2 H 1 1.285 0 . . . . . . . 156 LYS QG . 50422 1 1707 . 1 . 1 160 160 LYS HG3 H 1 1.285 0 . . . . . . . 156 LYS QG . 50422 1 1708 . 1 . 1 160 160 LYS HD2 H 1 1.654 0 . . . . . . . 156 LYS QD . 50422 1 1709 . 1 . 1 160 160 LYS HD3 H 1 1.654 0 . . . . . . . 156 LYS QD . 50422 1 1710 . 1 . 1 160 160 LYS HE2 H 1 2.984 0 . . . . . . . 156 LYS QE . 50422 1 1711 . 1 . 1 160 160 LYS HE3 H 1 2.984 0 . . . . . . . 156 LYS QE . 50422 1 1712 . 1 . 1 160 160 LYS C C 13 177.075 0 . . . . . . . 156 LYS C . 50422 1 1713 . 1 . 1 160 160 LYS CA C 13 59.989 0 . . . . . . . 156 LYS CA . 50422 1 1714 . 1 . 1 160 160 LYS CB C 13 32.892 0 . . . . . . . 156 LYS CB . 50422 1 1715 . 1 . 1 160 160 LYS CG C 13 24.704 0 . . . . . . . 156 LYS CG . 50422 1 1716 . 1 . 1 160 160 LYS CD C 13 28.957 0 . . . . . . . 156 LYS CD . 50422 1 1717 . 1 . 1 160 160 LYS CE C 13 42.064 0 . . . . . . . 156 LYS CE . 50422 1 1718 . 1 . 1 160 160 LYS N N 15 130.028 0 . . . . . . . 156 LYS N . 50422 1 1719 . 1 . 1 161 161 ASN H H 1 8.185 0 . . . . . . . 157 ASN H . 50422 1 1720 . 1 . 1 161 161 ASN HA H 1 4.462 0 . . . . . . . 157 ASN HA . 50422 1 1721 . 1 . 1 161 161 ASN HB2 H 1 2.921 0 . . . . . . . 157 ASN QB . 50422 1 1722 . 1 . 1 161 161 ASN HB3 H 1 2.921 0 . . . . . . . 157 ASN QB . 50422 1 1723 . 1 . 1 161 161 ASN C C 13 178.487 0 . . . . . . . 157 ASN C . 50422 1 1724 . 1 . 1 161 161 ASN CA C 13 56.594 0 . . . . . . . 157 ASN CA . 50422 1 1725 . 1 . 1 161 161 ASN CB C 13 37.848 0 . . . . . . . 157 ASN CB . 50422 1 1726 . 1 . 1 161 161 ASN N N 15 116.294 0.015 . . . . . . . 157 ASN N . 50422 1 1727 . 1 . 1 162 162 LEU H H 1 8.1 0.002 . . . . . . . 158 LEU H . 50422 1 1728 . 1 . 1 162 162 LEU HA H 1 4.293 0 . . . . . . . 158 LEU HA . 50422 1 1729 . 1 . 1 162 162 LEU HB2 H 1 1.908 0 . . . . . . . 158 LEU HB2 . 50422 1 1730 . 1 . 1 162 162 LEU HB3 H 1 1.706 0 . . . . . . . 158 LEU HB3 . 50422 1 1731 . 1 . 1 162 162 LEU HG H 1 1.016 0 . . . . . . . 158 LEU HG . 50422 1 1732 . 1 . 1 162 162 LEU HD21 H 1 0.575 0 . . . . . . . 158 LEU QD2 . 50422 1 1733 . 1 . 1 162 162 LEU HD22 H 1 0.575 0 . . . . . . . 158 LEU QD2 . 50422 1 1734 . 1 . 1 162 162 LEU HD23 H 1 0.575 0 . . . . . . . 158 LEU QD2 . 50422 1 1735 . 1 . 1 162 162 LEU C C 13 177.74 0.018 . . . . . . . 158 LEU C . 50422 1 1736 . 1 . 1 162 162 LEU CA C 13 57.604 0 . . . . . . . 158 LEU CA . 50422 1 1737 . 1 . 1 162 162 LEU CB C 13 40.959 0 . . . . . . . 158 LEU CB . 50422 1 1738 . 1 . 1 162 162 LEU CG C 13 25.493 0 . . . . . . . 158 LEU CG . 50422 1 1739 . 1 . 1 162 162 LEU CD2 C 13 22.761 0 . . . . . . . 158 LEU CD2 . 50422 1 1740 . 1 . 1 162 162 LEU N N 15 122.555 0.006 . . . . . . . 158 LEU N . 50422 1 1741 . 1 . 1 163 163 TYR H H 1 8.675 0.001 . . . . . . . 159 TYR H . 50422 1 1742 . 1 . 1 163 163 TYR HA H 1 3.813 0 . . . . . . . 159 TYR HA . 50422 1 1743 . 1 . 1 163 163 TYR HB2 H 1 3.26 0 . . . . . . . 159 TYR HB2 . 50422 1 1744 . 1 . 1 163 163 TYR HB3 H 1 2.806 0 . . . . . . . 159 TYR HB3 . 50422 1 1745 . 1 . 1 163 163 TYR C C 13 175.812 0.003 . . . . . . . 159 TYR C . 50422 1 1746 . 1 . 1 163 163 TYR CA C 13 63.212 0 . . . . . . . 159 TYR CA . 50422 1 1747 . 1 . 1 163 163 TYR CB C 13 38.223 0 . . . . . . . 159 TYR CB . 50422 1 1748 . 1 . 1 163 163 TYR N N 15 120.463 0.017 . . . . . . . 159 TYR N . 50422 1 1749 . 1 . 1 164 164 ASP H H 1 8.69 0.001 . . . . . . . 160 ASP H . 50422 1 1750 . 1 . 1 164 164 ASP HA H 1 4.219 0 . . . . . . . 160 ASP HA . 50422 1 1751 . 1 . 1 164 164 ASP HB2 H 1 2.754 0 . . . . . . . 160 ASP QB . 50422 1 1752 . 1 . 1 164 164 ASP HB3 H 1 2.754 0 . . . . . . . 160 ASP QB . 50422 1 1753 . 1 . 1 164 164 ASP C C 13 179.588 0.005 . . . . . . . 160 ASP C . 50422 1 1754 . 1 . 1 164 164 ASP CA C 13 57.56 0 . . . . . . . 160 ASP CA . 50422 1 1755 . 1 . 1 164 164 ASP CB C 13 40.042 0 . . . . . . . 160 ASP CB . 50422 1 1756 . 1 . 1 164 164 ASP N N 15 117.944 0.014 . . . . . . . 160 ASP N . 50422 1 1757 . 1 . 1 165 165 LYS H H 1 7.799 0 . . . . . . . 161 LYS H . 50422 1 1758 . 1 . 1 165 165 LYS HA H 1 4.113 0 . . . . . . . 161 LYS HA . 50422 1 1759 . 1 . 1 165 165 LYS HB2 H 1 2.046 0 . . . . . . . 161 LYS QB . 50422 1 1760 . 1 . 1 165 165 LYS HB3 H 1 2.046 0 . . . . . . . 161 LYS QB . 50422 1 1761 . 1 . 1 165 165 LYS HG2 H 1 1.578 0 . . . . . . . 161 LYS QG . 50422 1 1762 . 1 . 1 165 165 LYS HG3 H 1 1.578 0 . . . . . . . 161 LYS QG . 50422 1 1763 . 1 . 1 165 165 LYS HD2 H 1 1.725 0 . . . . . . . 161 LYS QD . 50422 1 1764 . 1 . 1 165 165 LYS HD3 H 1 1.725 0 . . . . . . . 161 LYS QD . 50422 1 1765 . 1 . 1 165 165 LYS HE2 H 1 3.012 0 . . . . . . . 161 LYS QE . 50422 1 1766 . 1 . 1 165 165 LYS HE3 H 1 3.012 0 . . . . . . . 161 LYS QE . 50422 1 1767 . 1 . 1 165 165 LYS C C 13 179.378 0.014 . . . . . . . 161 LYS C . 50422 1 1768 . 1 . 1 165 165 LYS CA C 13 59.317 0 . . . . . . . 161 LYS CA . 50422 1 1769 . 1 . 1 165 165 LYS CB C 13 32.527 0 . . . . . . . 161 LYS CB . 50422 1 1770 . 1 . 1 165 165 LYS CG C 13 24.859 0 . . . . . . . 161 LYS CG . 50422 1 1771 . 1 . 1 165 165 LYS CD C 13 29.15 0 . . . . . . . 161 LYS CD . 50422 1 1772 . 1 . 1 165 165 LYS CE C 13 42.141 0 . . . . . . . 161 LYS CE . 50422 1 1773 . 1 . 1 165 165 LYS N N 15 121.902 0.012 . . . . . . . 161 LYS N . 50422 1 1774 . 1 . 1 166 166 LEU H H 1 8.8 0.001 . . . . . . . 162 LEU H . 50422 1 1775 . 1 . 1 166 166 LEU HA H 1 3.914 0 . . . . . . . 162 LEU HA . 50422 1 1776 . 1 . 1 166 166 LEU HB2 H 1 1.985 0 . . . . . . . 162 LEU QB . 50422 1 1777 . 1 . 1 166 166 LEU HB3 H 1 1.985 0 . . . . . . . 162 LEU QB . 50422 1 1778 . 1 . 1 166 166 LEU HG H 1 1.891 0 . . . . . . . 162 LEU HG . 50422 1 1779 . 1 . 1 166 166 LEU HD11 H 1 0.779 0 . . . . . . . 162 LEU QD1 . 50422 1 1780 . 1 . 1 166 166 LEU HD12 H 1 0.779 0 . . . . . . . 162 LEU QD1 . 50422 1 1781 . 1 . 1 166 166 LEU HD13 H 1 0.779 0 . . . . . . . 162 LEU QD1 . 50422 1 1782 . 1 . 1 166 166 LEU HD21 H 1 0.781 0 . . . . . . . 162 LEU QD2 . 50422 1 1783 . 1 . 1 166 166 LEU HD22 H 1 0.781 0 . . . . . . . 162 LEU QD2 . 50422 1 1784 . 1 . 1 166 166 LEU HD23 H 1 0.781 0 . . . . . . . 162 LEU QD2 . 50422 1 1785 . 1 . 1 166 166 LEU C C 13 178.989 0.037 . . . . . . . 162 LEU C . 50422 1 1786 . 1 . 1 166 166 LEU CA C 13 58.284 0 . . . . . . . 162 LEU CA . 50422 1 1787 . 1 . 1 166 166 LEU CB C 13 41.664 0 . . . . . . . 162 LEU CB . 50422 1 1788 . 1 . 1 166 166 LEU CG C 13 26.214 0 . . . . . . . 162 LEU CG . 50422 1 1789 . 1 . 1 166 166 LEU CD1 C 13 22.997 0 . . . . . . . 162 LEU CD1 . 50422 1 1790 . 1 . 1 166 166 LEU CD2 C 13 23.131 0 . . . . . . . 162 LEU CD2 . 50422 1 1791 . 1 . 1 166 166 LEU N N 15 121.981 0.01 . . . . . . . 162 LEU N . 50422 1 1792 . 1 . 1 167 167 VAL H H 1 8.214 0.002 . . . . . . . 163 VAL H . 50422 1 1793 . 1 . 1 167 167 VAL HA H 1 3.365 0 . . . . . . . 163 VAL HA . 50422 1 1794 . 1 . 1 167 167 VAL HB H 1 1.817 0 . . . . . . . 163 VAL HB . 50422 1 1795 . 1 . 1 167 167 VAL HG11 H 1 0.687 0 . . . . . . . 163 VAL QG1 . 50422 1 1796 . 1 . 1 167 167 VAL HG12 H 1 0.687 0 . . . . . . . 163 VAL QG1 . 50422 1 1797 . 1 . 1 167 167 VAL HG13 H 1 0.687 0 . . . . . . . 163 VAL QG1 . 50422 1 1798 . 1 . 1 167 167 VAL HG21 H 1 0.45 0 . . . . . . . 163 VAL QG2 . 50422 1 1799 . 1 . 1 167 167 VAL HG22 H 1 0.45 0 . . . . . . . 163 VAL QG2 . 50422 1 1800 . 1 . 1 167 167 VAL HG23 H 1 0.45 0 . . . . . . . 163 VAL QG2 . 50422 1 1801 . 1 . 1 167 167 VAL C C 13 178.289 0.017 . . . . . . . 163 VAL C . 50422 1 1802 . 1 . 1 167 167 VAL CA C 13 67.624 0 . . . . . . . 163 VAL CA . 50422 1 1803 . 1 . 1 167 167 VAL CB C 13 31.695 0 . . . . . . . 163 VAL CB . 50422 1 1804 . 1 . 1 167 167 VAL CG1 C 13 21.92 0 . . . . . . . 163 VAL CG1 . 50422 1 1805 . 1 . 1 167 167 VAL CG2 C 13 21.829 0 . . . . . . . 163 VAL CG2 . 50422 1 1806 . 1 . 1 167 167 VAL N N 15 117.469 0 . . . . . . . 163 VAL N . 50422 1 1807 . 1 . 1 168 168 SER H H 1 7.967 0.001 . . . . . . . 164 SER H . 50422 1 1808 . 1 . 1 168 168 SER HA H 1 3.613 0 . . . . . . . 164 SER HA . 50422 1 1809 . 1 . 1 168 168 SER HB2 H 1 3.511 0 . . . . . . . 164 SER QB . 50422 1 1810 . 1 . 1 168 168 SER HB3 H 1 3.511 0 . . . . . . . 164 SER QB . 50422 1 1811 . 1 . 1 168 168 SER C C 13 180.095 0 . . . . . . . 164 SER C . 50422 1 1812 . 1 . 1 168 168 SER CA C 13 61.56 0 . . . . . . . 164 SER CA . 50422 1 1813 . 1 . 1 168 168 SER CB C 13 62.869 0 . . . . . . . 164 SER CB . 50422 1 1814 . 1 . 1 168 168 SER N N 15 113.245 0.029 . . . . . . . 164 SER N . 50422 1 1815 . 1 . 1 169 169 SER H H 1 7.972 0.011 . . . . . . . 165 SER H . 50422 1 1816 . 1 . 1 169 169 SER HA H 1 4.325 0 . . . . . . . 165 SER HA . 50422 1 1817 . 1 . 1 169 169 SER HB2 H 1 3.986 0 . . . . . . . 165 SER QB . 50422 1 1818 . 1 . 1 169 169 SER HB3 H 1 3.986 0 . . . . . . . 165 SER QB . 50422 1 1819 . 1 . 1 169 169 SER C C 13 178.442 0 . . . . . . . 165 SER C . 50422 1 1820 . 1 . 1 169 169 SER CA C 13 61.486 0 . . . . . . . 165 SER CA . 50422 1 1821 . 1 . 1 169 169 SER CB C 13 63.433 0 . . . . . . . 165 SER CB . 50422 1 1822 . 1 . 1 169 169 SER N N 15 115.91 0.012 . . . . . . . 165 SER N . 50422 1 1823 . 1 . 1 170 170 PHE H H 1 8.085 0.008 . . . . . . . 166 PHE H . 50422 1 1824 . 1 . 1 170 170 PHE HA H 1 4.194 0 . . . . . . . 166 PHE HA . 50422 1 1825 . 1 . 1 170 170 PHE HB2 H 1 3.073 0 . . . . . . . 166 PHE QB . 50422 1 1826 . 1 . 1 170 170 PHE HB3 H 1 3.073 0 . . . . . . . 166 PHE QB . 50422 1 1827 . 1 . 1 170 170 PHE C C 13 177.119 0 . . . . . . . 166 PHE C . 50422 1 1828 . 1 . 1 170 170 PHE CA C 13 61.337 0 . . . . . . . 166 PHE CA . 50422 1 1829 . 1 . 1 170 170 PHE CB C 13 40.228 0 . . . . . . . 166 PHE CB . 50422 1 1830 . 1 . 1 170 170 PHE N N 15 121.938 0.028 . . . . . . . 166 PHE N . 50422 1 1831 . 1 . 1 171 171 LEU H H 1 8.134 0 . . . . . . . 167 LEU H . 50422 1 1832 . 1 . 1 171 171 LEU HA H 1 4.23 0 . . . . . . . 167 LEU HA . 50422 1 1833 . 1 . 1 171 171 LEU HB2 H 1 1.845 0 . . . . . . . 167 LEU HB2 . 50422 1 1834 . 1 . 1 171 171 LEU HB3 H 1 1.673 0 . . . . . . . 167 LEU HB3 . 50422 1 1835 . 1 . 1 171 171 LEU HG H 1 1.585 0 . . . . . . . 167 LEU HG . 50422 1 1836 . 1 . 1 171 171 LEU HD11 H 1 0.944 0 . . . . . . . 167 LEU QD1 . 50422 1 1837 . 1 . 1 171 171 LEU HD12 H 1 0.944 0 . . . . . . . 167 LEU QD1 . 50422 1 1838 . 1 . 1 171 171 LEU HD13 H 1 0.944 0 . . . . . . . 167 LEU QD1 . 50422 1 1839 . 1 . 1 171 171 LEU HD21 H 1 0.991 0 . . . . . . . 167 LEU QD2 . 50422 1 1840 . 1 . 1 171 171 LEU HD22 H 1 0.991 0 . . . . . . . 167 LEU QD2 . 50422 1 1841 . 1 . 1 171 171 LEU HD23 H 1 0.991 0 . . . . . . . 167 LEU QD2 . 50422 1 1842 . 1 . 1 171 171 LEU C C 13 178.164 0 . . . . . . . 167 LEU C . 50422 1 1843 . 1 . 1 171 171 LEU CA C 13 56.336 0 . . . . . . . 167 LEU CA . 50422 1 1844 . 1 . 1 171 171 LEU CB C 13 41.988 0 . . . . . . . 167 LEU CB . 50422 1 1845 . 1 . 1 171 171 LEU CG C 13 26.718 0 . . . . . . . 167 LEU CG . 50422 1 1846 . 1 . 1 171 171 LEU CD1 C 13 25.401 0 . . . . . . . 167 LEU CD1 . 50422 1 1847 . 1 . 1 171 171 LEU CD2 C 13 22.86 0 . . . . . . . 167 LEU CD2 . 50422 1 1848 . 1 . 1 171 171 LEU N N 15 118.409 0.016 . . . . . . . 167 LEU N . 50422 1 1849 . 1 . 1 172 172 GLU H H 1 7.799 0.001 . . . . . . . 168 GLU H . 50422 1 1850 . 1 . 1 172 172 GLU HA H 1 4.207 0 . . . . . . . 168 GLU HA . 50422 1 1851 . 1 . 1 172 172 GLU HB2 H 1 2.072 0 . . . . . . . 168 GLU QB . 50422 1 1852 . 1 . 1 172 172 GLU HB3 H 1 2.072 0 . . . . . . . 168 GLU QB . 50422 1 1853 . 1 . 1 172 172 GLU HG2 H 1 2.31 0 . . . . . . . 168 GLU HG2 . 50422 1 1854 . 1 . 1 172 172 GLU HG3 H 1 2.242 0 . . . . . . . 168 GLU HG3 . 50422 1 1855 . 1 . 1 172 172 GLU C C 13 176.771 0 . . . . . . . 168 GLU C . 50422 1 1856 . 1 . 1 172 172 GLU CA C 13 57.192 0 . . . . . . . 168 GLU CA . 50422 1 1857 . 1 . 1 172 172 GLU CB C 13 29.658 0 . . . . . . . 168 GLU CB . 50422 1 1858 . 1 . 1 172 172 GLU CG C 13 36.071 0 . . . . . . . 168 GLU CG . 50422 1 1859 . 1 . 1 172 172 GLU N N 15 118.848 0.005 . . . . . . . 168 GLU N . 50422 1 1860 . 1 . 1 173 173 MET H H 1 7.865 0 . . . . . . . 169 MET H . 50422 1 1861 . 1 . 1 173 173 MET HA H 1 4.373 0 . . . . . . . 169 MET HA . 50422 1 1862 . 1 . 1 173 173 MET HB2 H 1 2.019 0 . . . . . . . 169 MET QB . 50422 1 1863 . 1 . 1 173 173 MET HB3 H 1 2.019 0 . . . . . . . 169 MET QB . 50422 1 1864 . 1 . 1 173 173 MET HG2 H 1 1.954 0 . . . . . . . 169 MET QG . 50422 1 1865 . 1 . 1 173 173 MET HG3 H 1 1.954 0 . . . . . . . 169 MET QG . 50422 1 1866 . 1 . 1 173 173 MET C C 13 176.102 0 . . . . . . . 169 MET C . 50422 1 1867 . 1 . 1 173 173 MET CA C 13 56.046 0 . . . . . . . 169 MET CA . 50422 1 1868 . 1 . 1 173 173 MET CB C 13 32.639 0 . . . . . . . 169 MET CB . 50422 1 1869 . 1 . 1 173 173 MET CG C 13 31.981 0 . . . . . . . 169 MET CG . 50422 1 1870 . 1 . 1 173 173 MET N N 15 119.662 0.009 . . . . . . . 169 MET N . 50422 1 1871 . 1 . 1 174 174 LYS H H 1 8.052 0 . . . . . . . 170 LYS H . 50422 1 1872 . 1 . 1 174 174 LYS HA H 1 4.341 0 . . . . . . . 170 LYS HA . 50422 1 1873 . 1 . 1 174 174 LYS HB2 H 1 1.798 0 . . . . . . . 170 LYS QB . 50422 1 1874 . 1 . 1 174 174 LYS HB3 H 1 1.798 0 . . . . . . . 170 LYS QB . 50422 1 1875 . 1 . 1 174 174 LYS HG2 H 1 1.425 0 . . . . . . . 170 LYS QG . 50422 1 1876 . 1 . 1 174 174 LYS HG3 H 1 1.425 0 . . . . . . . 170 LYS QG . 50422 1 1877 . 1 . 1 174 174 LYS HD2 H 1 1.663 0 . . . . . . . 170 LYS QD . 50422 1 1878 . 1 . 1 174 174 LYS HD3 H 1 1.663 0 . . . . . . . 170 LYS QD . 50422 1 1879 . 1 . 1 174 174 LYS HE2 H 1 3.004 0 . . . . . . . 170 LYS QE . 50422 1 1880 . 1 . 1 174 174 LYS HE3 H 1 3.004 0 . . . . . . . 170 LYS QE . 50422 1 1881 . 1 . 1 174 174 LYS C C 13 175.756 0.003 . . . . . . . 170 LYS C . 50422 1 1882 . 1 . 1 174 174 LYS CA C 13 56.223 0 . . . . . . . 170 LYS CA . 50422 1 1883 . 1 . 1 174 174 LYS CB C 13 32.892 0 . . . . . . . 170 LYS CB . 50422 1 1884 . 1 . 1 174 174 LYS CG C 13 24.378 0 . . . . . . . 170 LYS CG . 50422 1 1885 . 1 . 1 174 174 LYS CD C 13 28.981 0 . . . . . . . 170 LYS CD . 50422 1 1886 . 1 . 1 174 174 LYS CE C 13 42.013 0 . . . . . . . 170 LYS CE . 50422 1 1887 . 1 . 1 174 174 LYS N N 15 122.394 0.011 . . . . . . . 170 LYS N . 50422 1 1888 . 1 . 1 175 175 SER H H 1 7.931 0 . . . . . . . 171 SER H . 50422 1 1889 . 1 . 1 175 175 SER HA H 1 4.279 0 . . . . . . . 171 SER HA . 50422 1 1890 . 1 . 1 175 175 SER HB2 H 1 3.867 0 . . . . . . . 171 SER QB . 50422 1 1891 . 1 . 1 175 175 SER HB3 H 1 3.867 0 . . . . . . . 171 SER QB . 50422 1 1892 . 1 . 1 175 175 SER C C 13 178.761 0 . . . . . . . 171 SER C . 50422 1 1893 . 1 . 1 175 175 SER CA C 13 60.129 0 . . . . . . . 171 SER CA . 50422 1 1894 . 1 . 1 175 175 SER CB C 13 64.937 0 . . . . . . . 171 SER CB . 50422 1 1895 . 1 . 1 175 175 SER N N 15 122.951 0.003 . . . . . . . 171 SER N . 50422 1 stop_ save_