data_51379 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51379 _Entry.Title ; 1H, 13C, and 15N resonance assignments of human glutathione peroxidase 4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-03-22 _Entry.Accession_date 2022-03-22 _Entry.Last_release_date 2022-03-23 _Entry.Original_release_date 2022-03-23 _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 Kyoko Furuita . . . . 51379 2 Kouki Inomata . . . . 51379 3 Toshihiko Sugiki . . . . 51379 4 Naohiro Kobayashi . . . . 51379 5 Toshimichi Fujiwara . . . . 51379 6 Chojiro Kojima . . . . 51379 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51379 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 757 51379 '15N chemical shifts' 171 51379 '1H chemical shifts' 1181 51379 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 2 . . 2022-10-21 2022-03-22 update BMRB 'update entry citation' 51379 1 . . 2022-05-27 2022-03-22 original author 'original release' 51379 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51379 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35616778 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N resonance assignments of human glutathione peroxidase 4 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 2 _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 267 _Citation.Page_last 271 _Citation.Year 2022 _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 Kyoko Furuita . . . . 51379 1 2 Kouki Inomata . . . . 51379 1 3 Toshihiko Sugiki . . . . 51379 1 4 Naohiro Kobayashi . . . . 51379 1 5 Toshimichi Fujiwara . . . . 51379 1 6 Chojiro Kojima . . . . 51379 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID FLYA 51379 1 GPx4 51379 1 ferroptosis 51379 1 'redox homeostasis' 51379 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51379 _Assembly.ID 1 _Assembly.Name 'Glutathione peroxidase 4' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Glutathione peroxidase 4' 1 $entity_1 . . yes native no no . . . 51379 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51379 _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 ; GPGHMSASRDDWRAARSMHE FSAKDIDGHMVNLDKYRGFV SIVTNVASQCGKTEVNYTQL VDLHARYAERGLRILAFPSN QFGKQEPGSNEEIKEFAAGY NVKFDMFSKIEVNGDDAHPL WKWMKIQPKGKGILGNAIKW NFTKFLIDKNGVVVKRYGPM EEPLVIEKDLPHYF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 24-197 _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 174 _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 'Cys29Ser, Cys37Ala, Cys64Ser, Sec73Cys, Cys93Arg, Cys102Ser, Cys134Glu, Cys175Val' _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'antioxidant enzyme' 51379 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 24 GLY . 51379 1 2 25 PRO . 51379 1 3 26 GLY . 51379 1 4 27 HIS . 51379 1 5 28 MET . 51379 1 6 29 SER . 51379 1 7 30 ALA . 51379 1 8 31 SER . 51379 1 9 32 ARG . 51379 1 10 33 ASP . 51379 1 11 34 ASP . 51379 1 12 35 TRP . 51379 1 13 36 ARG . 51379 1 14 37 ALA . 51379 1 15 38 ALA . 51379 1 16 39 ARG . 51379 1 17 40 SER . 51379 1 18 41 MET . 51379 1 19 42 HIS . 51379 1 20 43 GLU . 51379 1 21 44 PHE . 51379 1 22 45 SER . 51379 1 23 46 ALA . 51379 1 24 47 LYS . 51379 1 25 48 ASP . 51379 1 26 49 ILE . 51379 1 27 50 ASP . 51379 1 28 51 GLY . 51379 1 29 52 HIS . 51379 1 30 53 MET . 51379 1 31 54 VAL . 51379 1 32 55 ASN . 51379 1 33 56 LEU . 51379 1 34 57 ASP . 51379 1 35 58 LYS . 51379 1 36 59 TYR . 51379 1 37 60 ARG . 51379 1 38 61 GLY . 51379 1 39 62 PHE . 51379 1 40 63 VAL . 51379 1 41 64 SER . 51379 1 42 65 ILE . 51379 1 43 66 VAL . 51379 1 44 67 THR . 51379 1 45 68 ASN . 51379 1 46 69 VAL . 51379 1 47 70 ALA . 51379 1 48 71 SER . 51379 1 49 72 GLN . 51379 1 50 73 CYS . 51379 1 51 74 GLY . 51379 1 52 75 LYS . 51379 1 53 76 THR . 51379 1 54 77 GLU . 51379 1 55 78 VAL . 51379 1 56 79 ASN . 51379 1 57 80 TYR . 51379 1 58 81 THR . 51379 1 59 82 GLN . 51379 1 60 83 LEU . 51379 1 61 84 VAL . 51379 1 62 85 ASP . 51379 1 63 86 LEU . 51379 1 64 87 HIS . 51379 1 65 88 ALA . 51379 1 66 89 ARG . 51379 1 67 90 TYR . 51379 1 68 91 ALA . 51379 1 69 92 GLU . 51379 1 70 93 ARG . 51379 1 71 94 GLY . 51379 1 72 95 LEU . 51379 1 73 96 ARG . 51379 1 74 97 ILE . 51379 1 75 98 LEU . 51379 1 76 99 ALA . 51379 1 77 100 PHE . 51379 1 78 101 PRO . 51379 1 79 102 SER . 51379 1 80 103 ASN . 51379 1 81 104 GLN . 51379 1 82 105 PHE . 51379 1 83 106 GLY . 51379 1 84 107 LYS . 51379 1 85 108 GLN . 51379 1 86 109 GLU . 51379 1 87 110 PRO . 51379 1 88 111 GLY . 51379 1 89 112 SER . 51379 1 90 113 ASN . 51379 1 91 114 GLU . 51379 1 92 115 GLU . 51379 1 93 116 ILE . 51379 1 94 117 LYS . 51379 1 95 118 GLU . 51379 1 96 119 PHE . 51379 1 97 120 ALA . 51379 1 98 121 ALA . 51379 1 99 122 GLY . 51379 1 100 123 TYR . 51379 1 101 124 ASN . 51379 1 102 125 VAL . 51379 1 103 126 LYS . 51379 1 104 127 PHE . 51379 1 105 128 ASP . 51379 1 106 129 MET . 51379 1 107 130 PHE . 51379 1 108 131 SER . 51379 1 109 132 LYS . 51379 1 110 133 ILE . 51379 1 111 134 GLU . 51379 1 112 135 VAL . 51379 1 113 136 ASN . 51379 1 114 137 GLY . 51379 1 115 138 ASP . 51379 1 116 139 ASP . 51379 1 117 140 ALA . 51379 1 118 141 HIS . 51379 1 119 142 PRO . 51379 1 120 143 LEU . 51379 1 121 144 TRP . 51379 1 122 145 LYS . 51379 1 123 146 TRP . 51379 1 124 147 MET . 51379 1 125 148 LYS . 51379 1 126 149 ILE . 51379 1 127 150 GLN . 51379 1 128 151 PRO . 51379 1 129 152 LYS . 51379 1 130 153 GLY . 51379 1 131 154 LYS . 51379 1 132 155 GLY . 51379 1 133 156 ILE . 51379 1 134 157 LEU . 51379 1 135 158 GLY . 51379 1 136 159 ASN . 51379 1 137 160 ALA . 51379 1 138 161 ILE . 51379 1 139 162 LYS . 51379 1 140 163 TRP . 51379 1 141 164 ASN . 51379 1 142 165 PHE . 51379 1 143 166 THR . 51379 1 144 167 LYS . 51379 1 145 168 PHE . 51379 1 146 169 LEU . 51379 1 147 170 ILE . 51379 1 148 171 ASP . 51379 1 149 172 LYS . 51379 1 150 173 ASN . 51379 1 151 174 GLY . 51379 1 152 175 VAL . 51379 1 153 176 VAL . 51379 1 154 177 VAL . 51379 1 155 178 LYS . 51379 1 156 179 ARG . 51379 1 157 180 TYR . 51379 1 158 181 GLY . 51379 1 159 182 PRO . 51379 1 160 183 MET . 51379 1 161 184 GLU . 51379 1 162 185 GLU . 51379 1 163 186 PRO . 51379 1 164 187 LEU . 51379 1 165 188 VAL . 51379 1 166 189 ILE . 51379 1 167 190 GLU . 51379 1 168 191 LYS . 51379 1 169 192 ASP . 51379 1 170 193 LEU . 51379 1 171 194 PRO . 51379 1 172 195 HIS . 51379 1 173 196 TYR . 51379 1 174 197 PHE . 51379 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 51379 1 . PRO 2 2 51379 1 . GLY 3 3 51379 1 . HIS 4 4 51379 1 . MET 5 5 51379 1 . SER 6 6 51379 1 . ALA 7 7 51379 1 . SER 8 8 51379 1 . ARG 9 9 51379 1 . ASP 10 10 51379 1 . ASP 11 11 51379 1 . TRP 12 12 51379 1 . ARG 13 13 51379 1 . ALA 14 14 51379 1 . ALA 15 15 51379 1 . ARG 16 16 51379 1 . SER 17 17 51379 1 . MET 18 18 51379 1 . HIS 19 19 51379 1 . GLU 20 20 51379 1 . PHE 21 21 51379 1 . SER 22 22 51379 1 . ALA 23 23 51379 1 . LYS 24 24 51379 1 . ASP 25 25 51379 1 . ILE 26 26 51379 1 . ASP 27 27 51379 1 . GLY 28 28 51379 1 . HIS 29 29 51379 1 . MET 30 30 51379 1 . VAL 31 31 51379 1 . ASN 32 32 51379 1 . LEU 33 33 51379 1 . ASP 34 34 51379 1 . LYS 35 35 51379 1 . TYR 36 36 51379 1 . ARG 37 37 51379 1 . GLY 38 38 51379 1 . PHE 39 39 51379 1 . VAL 40 40 51379 1 . SER 41 41 51379 1 . ILE 42 42 51379 1 . VAL 43 43 51379 1 . THR 44 44 51379 1 . ASN 45 45 51379 1 . VAL 46 46 51379 1 . ALA 47 47 51379 1 . SER 48 48 51379 1 . GLN 49 49 51379 1 . CYS 50 50 51379 1 . GLY 51 51 51379 1 . LYS 52 52 51379 1 . THR 53 53 51379 1 . GLU 54 54 51379 1 . VAL 55 55 51379 1 . ASN 56 56 51379 1 . TYR 57 57 51379 1 . THR 58 58 51379 1 . GLN 59 59 51379 1 . LEU 60 60 51379 1 . VAL 61 61 51379 1 . ASP 62 62 51379 1 . LEU 63 63 51379 1 . HIS 64 64 51379 1 . ALA 65 65 51379 1 . ARG 66 66 51379 1 . TYR 67 67 51379 1 . ALA 68 68 51379 1 . GLU 69 69 51379 1 . ARG 70 70 51379 1 . GLY 71 71 51379 1 . LEU 72 72 51379 1 . ARG 73 73 51379 1 . ILE 74 74 51379 1 . LEU 75 75 51379 1 . ALA 76 76 51379 1 . PHE 77 77 51379 1 . PRO 78 78 51379 1 . SER 79 79 51379 1 . ASN 80 80 51379 1 . GLN 81 81 51379 1 . PHE 82 82 51379 1 . GLY 83 83 51379 1 . LYS 84 84 51379 1 . GLN 85 85 51379 1 . GLU 86 86 51379 1 . PRO 87 87 51379 1 . GLY 88 88 51379 1 . SER 89 89 51379 1 . ASN 90 90 51379 1 . GLU 91 91 51379 1 . GLU 92 92 51379 1 . ILE 93 93 51379 1 . LYS 94 94 51379 1 . GLU 95 95 51379 1 . PHE 96 96 51379 1 . ALA 97 97 51379 1 . ALA 98 98 51379 1 . GLY 99 99 51379 1 . TYR 100 100 51379 1 . ASN 101 101 51379 1 . VAL 102 102 51379 1 . LYS 103 103 51379 1 . PHE 104 104 51379 1 . ASP 105 105 51379 1 . MET 106 106 51379 1 . PHE 107 107 51379 1 . SER 108 108 51379 1 . LYS 109 109 51379 1 . ILE 110 110 51379 1 . GLU 111 111 51379 1 . VAL 112 112 51379 1 . ASN 113 113 51379 1 . GLY 114 114 51379 1 . ASP 115 115 51379 1 . ASP 116 116 51379 1 . ALA 117 117 51379 1 . HIS 118 118 51379 1 . PRO 119 119 51379 1 . LEU 120 120 51379 1 . TRP 121 121 51379 1 . LYS 122 122 51379 1 . TRP 123 123 51379 1 . MET 124 124 51379 1 . LYS 125 125 51379 1 . ILE 126 126 51379 1 . GLN 127 127 51379 1 . PRO 128 128 51379 1 . LYS 129 129 51379 1 . GLY 130 130 51379 1 . LYS 131 131 51379 1 . GLY 132 132 51379 1 . ILE 133 133 51379 1 . LEU 134 134 51379 1 . GLY 135 135 51379 1 . ASN 136 136 51379 1 . ALA 137 137 51379 1 . ILE 138 138 51379 1 . LYS 139 139 51379 1 . TRP 140 140 51379 1 . ASN 141 141 51379 1 . PHE 142 142 51379 1 . THR 143 143 51379 1 . LYS 144 144 51379 1 . PHE 145 145 51379 1 . LEU 146 146 51379 1 . ILE 147 147 51379 1 . ASP 148 148 51379 1 . LYS 149 149 51379 1 . ASN 150 150 51379 1 . GLY 151 151 51379 1 . VAL 152 152 51379 1 . VAL 153 153 51379 1 . VAL 154 154 51379 1 . LYS 155 155 51379 1 . ARG 156 156 51379 1 . TYR 157 157 51379 1 . GLY 158 158 51379 1 . PRO 159 159 51379 1 . MET 160 160 51379 1 . GLU 161 161 51379 1 . GLU 162 162 51379 1 . PRO 163 163 51379 1 . LEU 164 164 51379 1 . VAL 165 165 51379 1 . ILE 166 166 51379 1 . GLU 167 167 51379 1 . LYS 168 168 51379 1 . ASP 169 169 51379 1 . LEU 170 170 51379 1 . PRO 171 171 51379 1 . HIS 172 172 51379 1 . TYR 173 173 51379 1 . PHE 174 174 51379 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 51379 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51379 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 51379 _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 'BL21 (DE3)' . . plasmid . . pCold-GST . . . 51379 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51379 _Sample.ID 1 _Sample.Name Sample1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Glutathione peroxidase 4' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 51379 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 51379 1 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51379 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 51379 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 51379 1 6 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 51379 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51379 _Sample.ID 2 _Sample.Name sample2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Glutathione peroxidase 4' '[U-100% 15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 51379 2 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 51379 2 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51379 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 51379 2 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 51379 2 6 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 51379 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 51379 _Sample_condition_list.ID 1 _Sample_condition_list.Name condition1 _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 pH 6.8 . pH 51379 1 pressure 1 . atm 51379 1 temperature 298 . K 51379 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51379 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51379 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51379 _Software.ID 2 _Software.Type . _Software.Name istHMS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51379 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51379 _Software.ID 3 _Software.Type . _Software.Name MAGRO _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51379 3 'data analysis' . 51379 3 'peak picking' . 51379 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51379 _Software.ID 4 _Software.Type . _Software.Name CYANA _Software.Version 3.98.13 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51379 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 51379 _Software.ID 5 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51379 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 51379 _Software.ID 6 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51379 6 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 51379 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name AVANCEIIIHD_800MHz _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _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 51379 _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 no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51379 1 2 '2D 1H-13C HSQC aliphatic' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51379 1 3 '2D 1H-13C HSQC aromatic' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51379 1 4 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51379 1 5 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51379 1 6 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51379 1 7 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51379 1 8 '3D HCCH-TOCSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51379 1 9 '3D 15N-separated NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51379 1 10 '3D 1H-13C NOESY aliphatic' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51379 1 11 '3D 1H-13C NOESY aromatic' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51379 1 12 '2D (HB)CB(CGCD)HD' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51379 1 13 '3D HBHA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51379 1 14 '2D 1H-1H NOESY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51379 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 51379 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name reference1 _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 water protons . . . . ppm 4.773 na indirect 0.251449530 . . . . . 51379 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 51379 1 N 15 water protons . . . . ppm 4.773 na indirect 0.101329118 . . . . . 51379 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 51379 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name list1 _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' . . . 51379 1 2 '2D 1H-13C HSQC aliphatic' . . . 51379 1 3 '2D 1H-13C HSQC aromatic' . . . 51379 1 4 '3D HNCO' . . . 51379 1 5 '3D HN(CA)CO' . . . 51379 1 6 '3D CBCA(CO)NH' . . . 51379 1 7 '3D HNCACB' . . . 51379 1 8 '3D HCCH-TOCSY' . . . 51379 1 9 '3D 15N-separated NOESY' . . . 51379 1 10 '3D 1H-13C NOESY aliphatic' . . . 51379 1 11 '3D 1H-13C NOESY aromatic' . . . 51379 1 12 '2D (HB)CB(CGCD)HD' . . . 51379 1 13 '3D HBHA(CO)NH' . . . 51379 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 3 $software_3 . . 51379 1 4 $software_4 . . 51379 1 6 $software_6 . . 51379 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 1 1 GLY H H 1 8.232 0.01 . 1 . . . . . 24 GLY H . 51379 1 2 . 1 . 1 1 1 GLY CA C 13 43.432 0.2 . 1 . . . . . 24 GLY CA . 51379 1 3 . 1 . 1 1 1 GLY N N 15 109.669 0.2 . 1 . . . . . 24 GLY N . 51379 1 4 . 1 . 1 2 2 PRO HA H 1 4.463 0.01 . 1 . . . . . 25 PRO HA . 51379 1 5 . 1 . 1 2 2 PRO HB2 H 1 1.954 0.01 . 2 . . . . . 25 PRO HB2 . 51379 1 6 . 1 . 1 2 2 PRO HB3 H 1 2.309 0.01 . 2 . . . . . 25 PRO HB3 . 51379 1 7 . 1 . 1 2 2 PRO HG2 H 1 2.036 0.01 . 2 . . . . . 25 PRO HG2 . 51379 1 8 . 1 . 1 2 2 PRO HG3 H 1 2.036 0.01 . 2 . . . . . 25 PRO HG3 . 51379 1 9 . 1 . 1 2 2 PRO HD2 H 1 3.603 0.01 . 2 . . . . . 25 PRO HD2 . 51379 1 10 . 1 . 1 2 2 PRO HD3 H 1 3.603 0.01 . 2 . . . . . 25 PRO HD3 . 51379 1 11 . 1 . 1 2 2 PRO C C 13 177.459 0.2 . 1 . . . . . 25 PRO C . 51379 1 12 . 1 . 1 2 2 PRO CA C 13 63.517 0.2 . 1 . . . . . 25 PRO CA . 51379 1 13 . 1 . 1 2 2 PRO CB C 13 32.206 0.2 . 1 . . . . . 25 PRO CB . 51379 1 14 . 1 . 1 2 2 PRO CG C 13 27.164 0.2 . 1 . . . . . 25 PRO CG . 51379 1 15 . 1 . 1 2 2 PRO CD C 13 49.683 0.2 . 1 . . . . . 25 PRO CD . 51379 1 16 . 1 . 1 3 3 GLY H H 1 8.639 0.01 . 1 . . . . . 26 GLY H . 51379 1 17 . 1 . 1 3 3 GLY HA2 H 1 3.894 0.01 . 2 . . . . . 26 GLY HA2 . 51379 1 18 . 1 . 1 3 3 GLY HA3 H 1 3.894 0.01 . 2 . . . . . 26 GLY HA3 . 51379 1 19 . 1 . 1 3 3 GLY C C 13 173.617 0.2 . 1 . . . . . 26 GLY C . 51379 1 20 . 1 . 1 3 3 GLY CA C 13 45.277 0.2 . 1 . . . . . 26 GLY CA . 51379 1 21 . 1 . 1 3 3 GLY N N 15 110.421 0.2 . 1 . . . . . 26 GLY N . 51379 1 22 . 1 . 1 4 4 HIS H H 1 8.192 0.01 . 1 . . . . . 27 HIS H . 51379 1 23 . 1 . 1 4 4 HIS HA H 1 4.620 0.01 . 1 . . . . . 27 HIS HA . 51379 1 24 . 1 . 1 4 4 HIS HB2 H 1 3.098 0.01 . 2 . . . . . 27 HIS HB2 . 51379 1 25 . 1 . 1 4 4 HIS HB3 H 1 3.161 0.01 . 2 . . . . . 27 HIS HB3 . 51379 1 26 . 1 . 1 4 4 HIS HD1 H 1 7.607 0.01 . 1 . . . . . 27 HIS HD1 . 51379 1 27 . 1 . 1 4 4 HIS HD2 H 1 7.093 0.01 . 1 . . . . . 27 HIS HD2 . 51379 1 28 . 1 . 1 4 4 HIS CA C 13 55.977 0.2 . 1 . . . . . 27 HIS CA . 51379 1 29 . 1 . 1 4 4 HIS CB C 13 30.223 0.2 . 1 . . . . . 27 HIS CB . 51379 1 30 . 1 . 1 4 4 HIS CD2 C 13 119.867 0.2 . 1 . . . . . 27 HIS CD2 . 51379 1 31 . 1 . 1 4 4 HIS N N 15 119.398 0.2 . 1 . . . . . 27 HIS N . 51379 1 32 . 1 . 1 5 5 MET H H 1 8.526 0.01 . 1 . . . . . 28 MET H . 51379 1 33 . 1 . 1 5 5 MET HA H 1 4.474 0.01 . 1 . . . . . 28 MET HA . 51379 1 34 . 1 . 1 5 5 MET HB2 H 1 2.060 0.01 . 2 . . . . . 28 MET HB2 . 51379 1 35 . 1 . 1 5 5 MET HB3 H 1 2.060 0.01 . 2 . . . . . 28 MET HB3 . 51379 1 36 . 1 . 1 5 5 MET HG2 H 1 2.449 0.01 . 2 . . . . . 28 MET HG2 . 51379 1 37 . 1 . 1 5 5 MET HG3 H 1 2.478 0.01 . 2 . . . . . 28 MET HG3 . 51379 1 38 . 1 . 1 5 5 MET C C 13 176.146 0.2 . 1 . . . . . 28 MET C . 51379 1 39 . 1 . 1 5 5 MET CA C 13 56.205 0.2 . 1 . . . . . 28 MET CA . 51379 1 40 . 1 . 1 5 5 MET CB C 13 33.401 0.2 . 1 . . . . . 28 MET CB . 51379 1 41 . 1 . 1 5 5 MET CG C 13 32.189 0.2 . 1 . . . . . 28 MET CG . 51379 1 42 . 1 . 1 5 5 MET N N 15 122.127 0.2 . 1 . . . . . 28 MET N . 51379 1 43 . 1 . 1 6 6 SER H H 1 8.506 0.01 . 1 . . . . . 29 SER H . 51379 1 44 . 1 . 1 6 6 SER HA H 1 4.596 0.01 . 1 . . . . . 29 SER HA . 51379 1 45 . 1 . 1 6 6 SER HB2 H 1 3.858 0.01 . 2 . . . . . 29 SER HB2 . 51379 1 46 . 1 . 1 6 6 SER HB3 H 1 3.978 0.01 . 2 . . . . . 29 SER HB3 . 51379 1 47 . 1 . 1 6 6 SER C C 13 174.259 0.2 . 1 . . . . . 29 SER C . 51379 1 48 . 1 . 1 6 6 SER CA C 13 58.241 0.2 . 1 . . . . . 29 SER CA . 51379 1 49 . 1 . 1 6 6 SER CB C 13 64.521 0.2 . 1 . . . . . 29 SER CB . 51379 1 50 . 1 . 1 6 6 SER N N 15 117.579 0.2 . 1 . . . . . 29 SER N . 51379 1 51 . 1 . 1 7 7 ALA H H 1 8.556 0.01 . 1 . . . . . 30 ALA H . 51379 1 52 . 1 . 1 7 7 ALA HA H 1 4.484 0.01 . 1 . . . . . 30 ALA HA . 51379 1 53 . 1 . 1 7 7 ALA HB1 H 1 1.452 0.01 . 1 . . . . . 30 ALA MB . 51379 1 54 . 1 . 1 7 7 ALA HB2 H 1 1.452 0.01 . 1 . . . . . 30 ALA MB . 51379 1 55 . 1 . 1 7 7 ALA HB3 H 1 1.452 0.01 . 1 . . . . . 30 ALA MB . 51379 1 56 . 1 . 1 7 7 ALA C C 13 177.925 0.2 . 1 . . . . . 30 ALA C . 51379 1 57 . 1 . 1 7 7 ALA CA C 13 52.501 0.2 . 1 . . . . . 30 ALA CA . 51379 1 58 . 1 . 1 7 7 ALA CB C 13 19.717 0.2 . 1 . . . . . 30 ALA CB . 51379 1 59 . 1 . 1 7 7 ALA N N 15 127.029 0.2 . 1 . . . . . 30 ALA N . 51379 1 60 . 1 . 1 8 8 SER H H 1 8.445 0.01 . 1 . . . . . 31 SER H . 51379 1 61 . 1 . 1 8 8 SER HA H 1 4.356 0.01 . 1 . . . . . 31 SER HA . 51379 1 62 . 1 . 1 8 8 SER HB2 H 1 3.907 0.01 . 2 . . . . . 31 SER HB2 . 51379 1 63 . 1 . 1 8 8 SER HB3 H 1 3.907 0.01 . 2 . . . . . 31 SER HB3 . 51379 1 64 . 1 . 1 8 8 SER CA C 13 59.532 0.2 . 1 . . . . . 31 SER CA . 51379 1 65 . 1 . 1 8 8 SER CB C 13 63.811 0.2 . 1 . . . . . 31 SER CB . 51379 1 66 . 1 . 1 8 8 SER N N 15 115.599 0.2 . 1 . . . . . 31 SER N . 51379 1 67 . 1 . 1 9 9 ARG HA H 1 4.467 0.01 . 1 . . . . . 32 ARG HA . 51379 1 68 . 1 . 1 9 9 ARG HB2 H 1 1.845 0.01 . 2 . . . . . 32 ARG HB2 . 51379 1 69 . 1 . 1 9 9 ARG HB3 H 1 1.989 0.01 . 2 . . . . . 32 ARG HB3 . 51379 1 70 . 1 . 1 9 9 ARG HG2 H 1 1.675 0.01 . 2 . . . . . 32 ARG HG2 . 51379 1 71 . 1 . 1 9 9 ARG HG3 H 1 1.675 0.01 . 2 . . . . . 32 ARG HG3 . 51379 1 72 . 1 . 1 9 9 ARG HD2 H 1 3.230 0.01 . 2 . . . . . 32 ARG HD2 . 51379 1 73 . 1 . 1 9 9 ARG HD3 H 1 3.230 0.01 . 2 . . . . . 32 ARG HD3 . 51379 1 74 . 1 . 1 9 9 ARG C C 13 176.380 0.2 . 1 . . . . . 32 ARG C . 51379 1 75 . 1 . 1 9 9 ARG CA C 13 56.487 0.2 . 1 . . . . . 32 ARG CA . 51379 1 76 . 1 . 1 9 9 ARG CB C 13 30.410 0.2 . 1 . . . . . 32 ARG CB . 51379 1 77 . 1 . 1 9 9 ARG CG C 13 27.195 0.2 . 1 . . . . . 32 ARG CG . 51379 1 78 . 1 . 1 9 9 ARG CD C 13 43.338 0.2 . 1 . . . . . 32 ARG CD . 51379 1 79 . 1 . 1 10 10 ASP H H 1 8.141 0.01 . 1 . . . . . 33 ASP H . 51379 1 80 . 1 . 1 10 10 ASP HA H 1 4.562 0.01 . 1 . . . . . 33 ASP HA . 51379 1 81 . 1 . 1 10 10 ASP HB2 H 1 2.629 0.01 . 2 . . . . . 33 ASP HB2 . 51379 1 82 . 1 . 1 10 10 ASP HB3 H 1 2.651 0.01 . 2 . . . . . 33 ASP HB3 . 51379 1 83 . 1 . 1 10 10 ASP C C 13 176.488 0.2 . 1 . . . . . 33 ASP C . 51379 1 84 . 1 . 1 10 10 ASP CA C 13 54.682 0.2 . 1 . . . . . 33 ASP CA . 51379 1 85 . 1 . 1 10 10 ASP CB C 13 41.390 0.2 . 1 . . . . . 33 ASP CB . 51379 1 86 . 1 . 1 10 10 ASP N N 15 119.944 0.2 . 1 . . . . . 33 ASP N . 51379 1 87 . 1 . 1 11 11 ASP H H 1 8.331 0.01 . 1 . . . . . 34 ASP H . 51379 1 88 . 1 . 1 11 11 ASP HA H 1 4.559 0.01 . 1 . . . . . 34 ASP HA . 51379 1 89 . 1 . 1 11 11 ASP HB2 H 1 2.620 0.01 . 2 . . . . . 34 ASP HB2 . 51379 1 90 . 1 . 1 11 11 ASP HB3 H 1 2.777 0.01 . 2 . . . . . 34 ASP HB3 . 51379 1 91 . 1 . 1 11 11 ASP C C 13 176.970 0.2 . 1 . . . . . 34 ASP C . 51379 1 92 . 1 . 1 11 11 ASP CA C 13 54.706 0.2 . 1 . . . . . 34 ASP CA . 51379 1 93 . 1 . 1 11 11 ASP CB C 13 39.857 0.2 . 1 . . . . . 34 ASP CB . 51379 1 94 . 1 . 1 11 11 ASP N N 15 121.574 0.2 . 1 . . . . . 34 ASP N . 51379 1 95 . 1 . 1 12 12 TRP H H 1 7.835 0.01 . 1 . . . . . 35 TRP H . 51379 1 96 . 1 . 1 12 12 TRP HA H 1 4.369 0.01 . 1 . . . . . 35 TRP HA . 51379 1 97 . 1 . 1 12 12 TRP HB2 H 1 3.420 0.01 . 2 . . . . . 35 TRP HB2 . 51379 1 98 . 1 . 1 12 12 TRP HB3 H 1 3.795 0.01 . 2 . . . . . 35 TRP HB3 . 51379 1 99 . 1 . 1 12 12 TRP HD1 H 1 7.742 0.01 . 1 . . . . . 35 TRP HD1 . 51379 1 100 . 1 . 1 12 12 TRP HE3 H 1 7.305 0.01 . 1 . . . . . 35 TRP HE3 . 51379 1 101 . 1 . 1 12 12 TRP HZ2 H 1 7.568 0.01 . 1 . . . . . 35 TRP HZ2 . 51379 1 102 . 1 . 1 12 12 TRP HZ3 H 1 6.987 0.01 . 1 . . . . . 35 TRP HZ3 . 51379 1 103 . 1 . 1 12 12 TRP HH2 H 1 7.152 0.01 . 1 . . . . . 35 TRP HH2 . 51379 1 104 . 1 . 1 12 12 TRP C C 13 176.974 0.2 . 1 . . . . . 35 TRP C . 51379 1 105 . 1 . 1 12 12 TRP CA C 13 58.245 0.2 . 1 . . . . . 35 TRP CA . 51379 1 106 . 1 . 1 12 12 TRP CB C 13 29.197 0.2 . 1 . . . . . 35 TRP CB . 51379 1 107 . 1 . 1 12 12 TRP CD1 C 13 127.700 0.2 . 1 . . . . . 35 TRP CD1 . 51379 1 108 . 1 . 1 12 12 TRP CE3 C 13 119.830 0.2 . 1 . . . . . 35 TRP CE3 . 51379 1 109 . 1 . 1 12 12 TRP CZ2 C 13 115.200 0.2 . 1 . . . . . 35 TRP CZ2 . 51379 1 110 . 1 . 1 12 12 TRP CZ3 C 13 122.262 0.2 . 1 . . . . . 35 TRP CZ3 . 51379 1 111 . 1 . 1 12 12 TRP CH2 C 13 124.155 0.2 . 1 . . . . . 35 TRP CH2 . 51379 1 112 . 1 . 1 12 12 TRP N N 15 122.667 0.2 . 1 . . . . . 35 TRP N . 51379 1 113 . 1 . 1 13 13 ARG H H 1 6.969 0.01 . 1 . . . . . 36 ARG H . 51379 1 114 . 1 . 1 13 13 ARG HA H 1 3.712 0.01 . 1 . . . . . 36 ARG HA . 51379 1 115 . 1 . 1 13 13 ARG HB2 H 1 1.045 0.01 . 2 . . . . . 36 ARG HB2 . 51379 1 116 . 1 . 1 13 13 ARG HB3 H 1 1.045 0.01 . 2 . . . . . 36 ARG HB3 . 51379 1 117 . 1 . 1 13 13 ARG HG2 H 1 1.526 0.01 . 2 . . . . . 36 ARG HG2 . 51379 1 118 . 1 . 1 13 13 ARG HG3 H 1 1.606 0.01 . 2 . . . . . 36 ARG HG3 . 51379 1 119 . 1 . 1 13 13 ARG HD2 H 1 3.269 0.01 . 2 . . . . . 36 ARG HD2 . 51379 1 120 . 1 . 1 13 13 ARG HD3 H 1 3.269 0.01 . 2 . . . . . 36 ARG HD3 . 51379 1 121 . 1 . 1 13 13 ARG C C 13 177.399 0.2 . 1 . . . . . 36 ARG C . 51379 1 122 . 1 . 1 13 13 ARG CA C 13 58.972 0.2 . 1 . . . . . 36 ARG CA . 51379 1 123 . 1 . 1 13 13 ARG CB C 13 29.564 0.2 . 1 . . . . . 36 ARG CB . 51379 1 124 . 1 . 1 13 13 ARG CG C 13 27.170 0.2 . 1 . . . . . 36 ARG CG . 51379 1 125 . 1 . 1 13 13 ARG N N 15 119.817 0.2 . 1 . . . . . 36 ARG N . 51379 1 126 . 1 . 1 14 14 ALA H H 1 7.310 0.01 . 1 . . . . . 37 ALA H . 51379 1 127 . 1 . 1 14 14 ALA HA H 1 4.324 0.01 . 1 . . . . . 37 ALA HA . 51379 1 128 . 1 . 1 14 14 ALA HB1 H 1 1.369 0.01 . 1 . . . . . 37 ALA MB . 51379 1 129 . 1 . 1 14 14 ALA HB2 H 1 1.369 0.01 . 1 . . . . . 37 ALA MB . 51379 1 130 . 1 . 1 14 14 ALA HB3 H 1 1.369 0.01 . 1 . . . . . 37 ALA MB . 51379 1 131 . 1 . 1 14 14 ALA C C 13 177.902 0.2 . 1 . . . . . 37 ALA C . 51379 1 132 . 1 . 1 14 14 ALA CA C 13 51.585 0.2 . 1 . . . . . 37 ALA CA . 51379 1 133 . 1 . 1 14 14 ALA CB C 13 19.570 0.2 . 1 . . . . . 37 ALA CB . 51379 1 134 . 1 . 1 14 14 ALA N N 15 118.892 0.2 . 1 . . . . . 37 ALA N . 51379 1 135 . 1 . 1 15 15 ALA H H 1 7.269 0.01 . 1 . . . . . 38 ALA H . 51379 1 136 . 1 . 1 15 15 ALA HA H 1 4.202 0.01 . 1 . . . . . 38 ALA HA . 51379 1 137 . 1 . 1 15 15 ALA HB1 H 1 0.909 0.01 . 1 . . . . . 38 ALA MB . 51379 1 138 . 1 . 1 15 15 ALA HB2 H 1 0.909 0.01 . 1 . . . . . 38 ALA MB . 51379 1 139 . 1 . 1 15 15 ALA HB3 H 1 0.909 0.01 . 1 . . . . . 38 ALA MB . 51379 1 140 . 1 . 1 15 15 ALA C C 13 178.823 0.2 . 1 . . . . . 38 ALA C . 51379 1 141 . 1 . 1 15 15 ALA CA C 13 53.126 0.2 . 1 . . . . . 38 ALA CA . 51379 1 142 . 1 . 1 15 15 ALA CB C 13 20.043 0.2 . 1 . . . . . 38 ALA CB . 51379 1 143 . 1 . 1 15 15 ALA N N 15 121.809 0.2 . 1 . . . . . 38 ALA N . 51379 1 144 . 1 . 1 16 16 ARG H H 1 9.407 0.01 . 1 . . . . . 39 ARG H . 51379 1 145 . 1 . 1 16 16 ARG HA H 1 4.896 0.01 . 1 . . . . . 39 ARG HA . 51379 1 146 . 1 . 1 16 16 ARG HB2 H 1 1.750 0.01 . 2 . . . . . 39 ARG HB2 . 51379 1 147 . 1 . 1 16 16 ARG HB3 H 1 2.115 0.01 . 2 . . . . . 39 ARG HB3 . 51379 1 148 . 1 . 1 16 16 ARG HG2 H 1 1.770 0.01 . 2 . . . . . 39 ARG HG2 . 51379 1 149 . 1 . 1 16 16 ARG HG3 H 1 1.770 0.01 . 2 . . . . . 39 ARG HG3 . 51379 1 150 . 1 . 1 16 16 ARG HD2 H 1 3.288 0.01 . 2 . . . . . 39 ARG HD2 . 51379 1 151 . 1 . 1 16 16 ARG HD3 H 1 3.318 0.01 . 2 . . . . . 39 ARG HD3 . 51379 1 152 . 1 . 1 16 16 ARG C C 13 176.310 0.2 . 1 . . . . . 39 ARG C . 51379 1 153 . 1 . 1 16 16 ARG CA C 13 55.443 0.2 . 1 . . . . . 39 ARG CA . 51379 1 154 . 1 . 1 16 16 ARG CB C 13 31.920 0.2 . 1 . . . . . 39 ARG CB . 51379 1 155 . 1 . 1 16 16 ARG CG C 13 27.360 0.2 . 1 . . . . . 39 ARG CG . 51379 1 156 . 1 . 1 16 16 ARG CD C 13 43.293 0.2 . 1 . . . . . 39 ARG CD . 51379 1 157 . 1 . 1 16 16 ARG N N 15 121.088 0.2 . 1 . . . . . 39 ARG N . 51379 1 158 . 1 . 1 17 17 SER H H 1 7.108 0.01 . 1 . . . . . 40 SER H . 51379 1 159 . 1 . 1 17 17 SER HA H 1 4.594 0.01 . 1 . . . . . 40 SER HA . 51379 1 160 . 1 . 1 17 17 SER HB2 H 1 3.459 0.01 . 2 . . . . . 40 SER HB2 . 51379 1 161 . 1 . 1 17 17 SER HB3 H 1 3.959 0.01 . 2 . . . . . 40 SER HB3 . 51379 1 162 . 1 . 1 17 17 SER C C 13 173.353 0.2 . 1 . . . . . 40 SER C . 51379 1 163 . 1 . 1 17 17 SER CA C 13 56.739 0.2 . 1 . . . . . 40 SER CA . 51379 1 164 . 1 . 1 17 17 SER CB C 13 65.693 0.2 . 1 . . . . . 40 SER CB . 51379 1 165 . 1 . 1 17 17 SER N N 15 113.300 0.2 . 1 . . . . . 40 SER N . 51379 1 166 . 1 . 1 18 18 MET H H 1 9.483 0.01 . 1 . . . . . 41 MET H . 51379 1 167 . 1 . 1 18 18 MET HA H 1 3.310 0.01 . 1 . . . . . 41 MET HA . 51379 1 168 . 1 . 1 18 18 MET HB2 H 1 1.462 0.01 . 2 . . . . . 41 MET HB2 . 51379 1 169 . 1 . 1 18 18 MET HB3 H 1 2.006 0.01 . 2 . . . . . 41 MET HB3 . 51379 1 170 . 1 . 1 18 18 MET HG2 H 1 2.376 0.01 . 2 . . . . . 41 MET HG2 . 51379 1 171 . 1 . 1 18 18 MET HG3 H 1 2.457 0.01 . 2 . . . . . 41 MET HG3 . 51379 1 172 . 1 . 1 18 18 MET HE1 H 1 2.005 0.01 . 1 . . . . . 41 MET ME . 51379 1 173 . 1 . 1 18 18 MET HE2 H 1 2.005 0.01 . 1 . . . . . 41 MET ME . 51379 1 174 . 1 . 1 18 18 MET HE3 H 1 2.005 0.01 . 1 . . . . . 41 MET ME . 51379 1 175 . 1 . 1 18 18 MET C C 13 175.188 0.2 . 1 . . . . . 41 MET C . 51379 1 176 . 1 . 1 18 18 MET CA C 13 58.070 0.2 . 1 . . . . . 41 MET CA . 51379 1 177 . 1 . 1 18 18 MET CB C 13 34.807 0.2 . 1 . . . . . 41 MET CB . 51379 1 178 . 1 . 1 18 18 MET CG C 13 32.516 0.2 . 1 . . . . . 41 MET CG . 51379 1 179 . 1 . 1 18 18 MET CE C 13 19.086 0.2 . 1 . . . . . 41 MET CE . 51379 1 180 . 1 . 1 18 18 MET N N 15 126.868 0.2 . 1 . . . . . 41 MET N . 51379 1 181 . 1 . 1 19 19 HIS H H 1 7.570 0.01 . 1 . . . . . 42 HIS H . 51379 1 182 . 1 . 1 19 19 HIS HA H 1 4.147 0.01 . 1 . . . . . 42 HIS HA . 51379 1 183 . 1 . 1 19 19 HIS HB2 H 1 3.048 0.01 . 2 . . . . . 42 HIS HB2 . 51379 1 184 . 1 . 1 19 19 HIS HB3 H 1 3.194 0.01 . 2 . . . . . 42 HIS HB3 . 51379 1 185 . 1 . 1 19 19 HIS C C 13 174.985 0.2 . 1 . . . . . 42 HIS C . 51379 1 186 . 1 . 1 19 19 HIS CA C 13 55.554 0.2 . 1 . . . . . 42 HIS CA . 51379 1 187 . 1 . 1 19 19 HIS CB C 13 31.744 0.2 . 1 . . . . . 42 HIS CB . 51379 1 188 . 1 . 1 19 19 HIS N N 15 113.506 0.2 . 1 . . . . . 42 HIS N . 51379 1 189 . 1 . 1 20 20 GLU H H 1 7.055 0.01 . 1 . . . . . 43 GLU H . 51379 1 190 . 1 . 1 20 20 GLU HA H 1 4.173 0.01 . 1 . . . . . 43 GLU HA . 51379 1 191 . 1 . 1 20 20 GLU HB2 H 1 1.256 0.01 . 2 . . . . . 43 GLU HB2 . 51379 1 192 . 1 . 1 20 20 GLU HB3 H 1 1.958 0.01 . 2 . . . . . 43 GLU HB3 . 51379 1 193 . 1 . 1 20 20 GLU HG2 H 1 2.079 0.01 . 2 . . . . . 43 GLU HG2 . 51379 1 194 . 1 . 1 20 20 GLU HG3 H 1 2.079 0.01 . 2 . . . . . 43 GLU HG3 . 51379 1 195 . 1 . 1 20 20 GLU C C 13 175.330 0.2 . 1 . . . . . 43 GLU C . 51379 1 196 . 1 . 1 20 20 GLU CA C 13 56.742 0.2 . 1 . . . . . 43 GLU CA . 51379 1 197 . 1 . 1 20 20 GLU CB C 13 30.131 0.2 . 1 . . . . . 43 GLU CB . 51379 1 198 . 1 . 1 20 20 GLU CG C 13 38.012 0.2 . 1 . . . . . 43 GLU CG . 51379 1 199 . 1 . 1 20 20 GLU N N 15 116.468 0.2 . 1 . . . . . 43 GLU N . 51379 1 200 . 1 . 1 21 21 PHE H H 1 7.494 0.01 . 1 . . . . . 44 PHE H . 51379 1 201 . 1 . 1 21 21 PHE HA H 1 4.900 0.01 . 1 . . . . . 44 PHE HA . 51379 1 202 . 1 . 1 21 21 PHE HB2 H 1 3.250 0.01 . 2 . . . . . 44 PHE HB2 . 51379 1 203 . 1 . 1 21 21 PHE HB3 H 1 3.101 0.01 . 2 . . . . . 44 PHE HB3 . 51379 1 204 . 1 . 1 21 21 PHE HD1 H 1 7.308 0.01 . 3 . . . . . 44 PHE HD1 . 51379 1 205 . 1 . 1 21 21 PHE HD2 H 1 7.308 0.01 . 3 . . . . . 44 PHE HD2 . 51379 1 206 . 1 . 1 21 21 PHE HE1 H 1 7.386 0.01 . 3 . . . . . 44 PHE HE1 . 51379 1 207 . 1 . 1 21 21 PHE HE2 H 1 7.386 0.01 . 3 . . . . . 44 PHE HE2 . 51379 1 208 . 1 . 1 21 21 PHE C C 13 174.291 0.2 . 1 . . . . . 44 PHE C . 51379 1 209 . 1 . 1 21 21 PHE CA C 13 58.365 0.2 . 1 . . . . . 44 PHE CA . 51379 1 210 . 1 . 1 21 21 PHE CB C 13 42.622 0.2 . 1 . . . . . 44 PHE CB . 51379 1 211 . 1 . 1 21 21 PHE CD1 C 13 129.234 0.2 . 3 . . . . . 44 PHE CD1 . 51379 1 212 . 1 . 1 21 21 PHE CD2 C 13 129.234 0.2 . 3 . . . . . 44 PHE CD2 . 51379 1 213 . 1 . 1 21 21 PHE CE1 C 13 131.258 0.2 . 3 . . . . . 44 PHE CE1 . 51379 1 214 . 1 . 1 21 21 PHE CE2 C 13 131.258 0.2 . 3 . . . . . 44 PHE CE2 . 51379 1 215 . 1 . 1 21 21 PHE N N 15 116.928 0.2 . 1 . . . . . 44 PHE N . 51379 1 216 . 1 . 1 22 22 SER H H 1 8.910 0.01 . 1 . . . . . 45 SER H . 51379 1 217 . 1 . 1 22 22 SER HA H 1 5.615 0.01 . 1 . . . . . 45 SER HA . 51379 1 218 . 1 . 1 22 22 SER HB2 H 1 3.714 0.01 . 2 . . . . . 45 SER HB2 . 51379 1 219 . 1 . 1 22 22 SER HB3 H 1 4.035 0.01 . 2 . . . . . 45 SER HB3 . 51379 1 220 . 1 . 1 22 22 SER C C 13 172.718 0.2 . 1 . . . . . 45 SER C . 51379 1 221 . 1 . 1 22 22 SER CA C 13 58.081 0.2 . 1 . . . . . 45 SER CA . 51379 1 222 . 1 . 1 22 22 SER CB C 13 67.049 0.2 . 1 . . . . . 45 SER CB . 51379 1 223 . 1 . 1 22 22 SER N N 15 115.481 0.2 . 1 . . . . . 45 SER N . 51379 1 224 . 1 . 1 23 23 ALA H H 1 9.381 0.01 . 1 . . . . . 46 ALA H . 51379 1 225 . 1 . 1 23 23 ALA HA H 1 5.179 0.01 . 1 . . . . . 46 ALA HA . 51379 1 226 . 1 . 1 23 23 ALA HB1 H 1 1.517 0.01 . 1 . . . . . 46 ALA MB . 51379 1 227 . 1 . 1 23 23 ALA HB2 H 1 1.517 0.01 . 1 . . . . . 46 ALA MB . 51379 1 228 . 1 . 1 23 23 ALA HB3 H 1 1.517 0.01 . 1 . . . . . 46 ALA MB . 51379 1 229 . 1 . 1 23 23 ALA C C 13 175.927 0.2 . 1 . . . . . 46 ALA C . 51379 1 230 . 1 . 1 23 23 ALA CA C 13 51.777 0.2 . 1 . . . . . 46 ALA CA . 51379 1 231 . 1 . 1 23 23 ALA CB C 13 23.323 0.2 . 1 . . . . . 46 ALA CB . 51379 1 232 . 1 . 1 23 23 ALA N N 15 122.481 0.2 . 1 . . . . . 46 ALA N . 51379 1 233 . 1 . 1 24 24 LYS H H 1 9.100 0.01 . 1 . . . . . 47 LYS H . 51379 1 234 . 1 . 1 24 24 LYS HA H 1 4.869 0.01 . 1 . . . . . 47 LYS HA . 51379 1 235 . 1 . 1 24 24 LYS HB2 H 1 1.778 0.01 . 2 . . . . . 47 LYS HB2 . 51379 1 236 . 1 . 1 24 24 LYS HB3 H 1 1.945 0.01 . 2 . . . . . 47 LYS HB3 . 51379 1 237 . 1 . 1 24 24 LYS HG2 H 1 1.517 0.01 . 2 . . . . . 47 LYS HG2 . 51379 1 238 . 1 . 1 24 24 LYS HG3 H 1 1.517 0.01 . 2 . . . . . 47 LYS HG3 . 51379 1 239 . 1 . 1 24 24 LYS HE2 H 1 3.071 0.01 . 2 . . . . . 47 LYS HE2 . 51379 1 240 . 1 . 1 24 24 LYS HE3 H 1 3.071 0.01 . 2 . . . . . 47 LYS HE3 . 51379 1 241 . 1 . 1 24 24 LYS C C 13 178.095 0.2 . 1 . . . . . 47 LYS C . 51379 1 242 . 1 . 1 24 24 LYS CA C 13 56.386 0.2 . 1 . . . . . 47 LYS CA . 51379 1 243 . 1 . 1 24 24 LYS CB C 13 33.555 0.2 . 1 . . . . . 47 LYS CB . 51379 1 244 . 1 . 1 24 24 LYS CG C 13 26.592 0.2 . 1 . . . . . 47 LYS CG . 51379 1 245 . 1 . 1 24 24 LYS N N 15 122.068 0.2 . 1 . . . . . 47 LYS N . 51379 1 246 . 1 . 1 25 25 ASP H H 1 9.880 0.01 . 1 . . . . . 48 ASP H . 51379 1 247 . 1 . 1 25 25 ASP HA H 1 4.473 0.01 . 1 . . . . . 48 ASP HA . 51379 1 248 . 1 . 1 25 25 ASP HB2 H 1 2.617 0.01 . 2 . . . . . 48 ASP HB2 . 51379 1 249 . 1 . 1 25 25 ASP HB3 H 1 2.976 0.01 . 2 . . . . . 48 ASP HB3 . 51379 1 250 . 1 . 1 25 25 ASP C C 13 177.836 0.2 . 1 . . . . . 48 ASP C . 51379 1 251 . 1 . 1 25 25 ASP CA C 13 53.738 0.2 . 1 . . . . . 48 ASP CA . 51379 1 252 . 1 . 1 25 25 ASP CB C 13 40.433 0.2 . 1 . . . . . 48 ASP CB . 51379 1 253 . 1 . 1 25 25 ASP N N 15 128.440 0.2 . 1 . . . . . 48 ASP N . 51379 1 254 . 1 . 1 26 26 ILE H H 1 7.613 0.01 . 1 . . . . . 49 ILE H . 51379 1 255 . 1 . 1 26 26 ILE HA H 1 3.718 0.01 . 1 . . . . . 49 ILE HA . 51379 1 256 . 1 . 1 26 26 ILE HB H 1 1.018 0.01 . 1 . . . . . 49 ILE HB . 51379 1 257 . 1 . 1 26 26 ILE HG12 H 1 1.160 0.01 . 2 . . . . . 49 ILE HG12 . 51379 1 258 . 1 . 1 26 26 ILE HG13 H 1 1.469 0.01 . 2 . . . . . 49 ILE HG13 . 51379 1 259 . 1 . 1 26 26 ILE HG21 H 1 0.682 0.01 . 1 . . . . . 49 ILE MG . 51379 1 260 . 1 . 1 26 26 ILE HG22 H 1 0.682 0.01 . 1 . . . . . 49 ILE MG . 51379 1 261 . 1 . 1 26 26 ILE HG23 H 1 0.682 0.01 . 1 . . . . . 49 ILE MG . 51379 1 262 . 1 . 1 26 26 ILE HD11 H 1 0.867 0.01 . 1 . . . . . 49 ILE MD . 51379 1 263 . 1 . 1 26 26 ILE HD12 H 1 0.867 0.01 . 1 . . . . . 49 ILE MD . 51379 1 264 . 1 . 1 26 26 ILE HD13 H 1 0.867 0.01 . 1 . . . . . 49 ILE MD . 51379 1 265 . 1 . 1 26 26 ILE C C 13 173.916 0.2 . 1 . . . . . 49 ILE C . 51379 1 266 . 1 . 1 26 26 ILE CA C 13 64.017 0.2 . 1 . . . . . 49 ILE CA . 51379 1 267 . 1 . 1 26 26 ILE CB C 13 38.860 0.2 . 1 . . . . . 49 ILE CB . 51379 1 268 . 1 . 1 26 26 ILE CG1 C 13 32.100 0.2 . 1 . . . . . 49 ILE CG1 . 51379 1 269 . 1 . 1 26 26 ILE CG2 C 13 16.768 0.2 . 1 . . . . . 49 ILE CG2 . 51379 1 270 . 1 . 1 26 26 ILE CD1 C 13 15.034 0.2 . 1 . . . . . 49 ILE CD1 . 51379 1 271 . 1 . 1 26 26 ILE N N 15 121.277 0.2 . 1 . . . . . 49 ILE N . 51379 1 272 . 1 . 1 27 27 ASP H H 1 7.613 0.01 . 1 . . . . . 50 ASP H . 51379 1 273 . 1 . 1 27 27 ASP HA H 1 4.704 0.01 . 1 . . . . . 50 ASP HA . 51379 1 274 . 1 . 1 27 27 ASP HB2 H 1 2.748 0.01 . 2 . . . . . 50 ASP HB2 . 51379 1 275 . 1 . 1 27 27 ASP HB3 H 1 2.748 0.01 . 2 . . . . . 50 ASP HB3 . 51379 1 276 . 1 . 1 27 27 ASP C C 13 175.927 0.2 . 1 . . . . . 50 ASP C . 51379 1 277 . 1 . 1 27 27 ASP CA C 13 54.377 0.2 . 1 . . . . . 50 ASP CA . 51379 1 278 . 1 . 1 27 27 ASP CB C 13 42.400 0.2 . 1 . . . . . 50 ASP CB . 51379 1 279 . 1 . 1 27 27 ASP N N 15 120.383 0.2 . 1 . . . . . 50 ASP N . 51379 1 280 . 1 . 1 28 28 GLY H H 1 8.170 0.01 . 1 . . . . . 51 GLY H . 51379 1 281 . 1 . 1 28 28 GLY HA2 H 1 3.559 0.01 . 2 . . . . . 51 GLY HA2 . 51379 1 282 . 1 . 1 28 28 GLY HA3 H 1 4.180 0.01 . 2 . . . . . 51 GLY HA3 . 51379 1 283 . 1 . 1 28 28 GLY C C 13 174.019 0.2 . 1 . . . . . 51 GLY C . 51379 1 284 . 1 . 1 28 28 GLY CA C 13 45.245 0.2 . 1 . . . . . 51 GLY CA . 51379 1 285 . 1 . 1 28 28 GLY N N 15 108.156 0.2 . 1 . . . . . 51 GLY N . 51379 1 286 . 1 . 1 29 29 HIS H H 1 8.522 0.01 . 1 . . . . . 52 HIS H . 51379 1 287 . 1 . 1 29 29 HIS HA H 1 4.816 0.01 . 1 . . . . . 52 HIS HA . 51379 1 288 . 1 . 1 29 29 HIS HB2 H 1 3.142 0.01 . 2 . . . . . 52 HIS HB2 . 51379 1 289 . 1 . 1 29 29 HIS HB3 H 1 3.277 0.01 . 2 . . . . . 52 HIS HB3 . 51379 1 290 . 1 . 1 29 29 HIS HD1 H 1 8.522 0.01 . 1 . . . . . 52 HIS HD1 . 51379 1 291 . 1 . 1 29 29 HIS HD2 H 1 7.256 0.01 . 1 . . . . . 52 HIS HD2 . 51379 1 292 . 1 . 1 29 29 HIS C C 13 175.230 0.2 . 1 . . . . . 52 HIS C . 51379 1 293 . 1 . 1 29 29 HIS CA C 13 54.557 0.2 . 1 . . . . . 52 HIS CA . 51379 1 294 . 1 . 1 29 29 HIS CB C 13 29.494 0.2 . 1 . . . . . 52 HIS CB . 51379 1 295 . 1 . 1 29 29 HIS CD2 C 13 120.190 0.2 . 1 . . . . . 52 HIS CD2 . 51379 1 296 . 1 . 1 29 29 HIS N N 15 122.092 0.2 . 1 . . . . . 52 HIS N . 51379 1 297 . 1 . 1 30 30 MET H H 1 9.152 0.01 . 1 . . . . . 53 MET H . 51379 1 298 . 1 . 1 30 30 MET HA H 1 4.638 0.01 . 1 . . . . . 53 MET HA . 51379 1 299 . 1 . 1 30 30 MET HB2 H 1 2.104 0.01 . 2 . . . . . 53 MET HB2 . 51379 1 300 . 1 . 1 30 30 MET HB3 H 1 2.104 0.01 . 2 . . . . . 53 MET HB3 . 51379 1 301 . 1 . 1 30 30 MET HG2 H 1 2.437 0.01 . 2 . . . . . 53 MET HG2 . 51379 1 302 . 1 . 1 30 30 MET HG3 H 1 2.740 0.01 . 2 . . . . . 53 MET HG3 . 51379 1 303 . 1 . 1 30 30 MET HE1 H 1 2.122 0.01 . 1 . . . . . 53 MET ME . 51379 1 304 . 1 . 1 30 30 MET HE2 H 1 2.122 0.01 . 1 . . . . . 53 MET ME . 51379 1 305 . 1 . 1 30 30 MET HE3 H 1 2.122 0.01 . 1 . . . . . 53 MET ME . 51379 1 306 . 1 . 1 30 30 MET C C 13 175.599 0.2 . 1 . . . . . 53 MET C . 51379 1 307 . 1 . 1 30 30 MET CA C 13 55.782 0.2 . 1 . . . . . 53 MET CA . 51379 1 308 . 1 . 1 30 30 MET CB C 13 30.615 0.2 . 1 . . . . . 53 MET CB . 51379 1 309 . 1 . 1 30 30 MET CG C 13 31.876 0.2 . 1 . . . . . 53 MET CG . 51379 1 310 . 1 . 1 30 30 MET CE C 13 16.271 0.2 . 1 . . . . . 53 MET CE . 51379 1 311 . 1 . 1 30 30 MET N N 15 125.365 0.2 . 1 . . . . . 53 MET N . 51379 1 312 . 1 . 1 31 31 VAL H H 1 9.125 0.01 . 1 . . . . . 54 VAL H . 51379 1 313 . 1 . 1 31 31 VAL HA H 1 4.313 0.01 . 1 . . . . . 54 VAL HA . 51379 1 314 . 1 . 1 31 31 VAL HB H 1 2.656 0.01 . 1 . . . . . 54 VAL HB . 51379 1 315 . 1 . 1 31 31 VAL HG11 H 1 1.156 0.01 . 2 . . . . . 54 VAL MG1 . 51379 1 316 . 1 . 1 31 31 VAL HG12 H 1 1.156 0.01 . 2 . . . . . 54 VAL MG1 . 51379 1 317 . 1 . 1 31 31 VAL HG13 H 1 1.156 0.01 . 2 . . . . . 54 VAL MG1 . 51379 1 318 . 1 . 1 31 31 VAL HG21 H 1 1.211 0.01 . 2 . . . . . 54 VAL MG2 . 51379 1 319 . 1 . 1 31 31 VAL HG22 H 1 1.211 0.01 . 2 . . . . . 54 VAL MG2 . 51379 1 320 . 1 . 1 31 31 VAL HG23 H 1 1.211 0.01 . 2 . . . . . 54 VAL MG2 . 51379 1 321 . 1 . 1 31 31 VAL C C 13 175.274 0.2 . 1 . . . . . 54 VAL C . 51379 1 322 . 1 . 1 31 31 VAL CA C 13 61.724 0.2 . 1 . . . . . 54 VAL CA . 51379 1 323 . 1 . 1 31 31 VAL CB C 13 34.906 0.2 . 1 . . . . . 54 VAL CB . 51379 1 324 . 1 . 1 31 31 VAL CG1 C 13 21.819 0.2 . 2 . . . . . 54 VAL CG1 . 51379 1 325 . 1 . 1 31 31 VAL CG2 C 13 22.060 0.2 . 2 . . . . . 54 VAL CG2 . 51379 1 326 . 1 . 1 31 31 VAL N N 15 129.908 0.2 . 1 . . . . . 54 VAL N . 51379 1 327 . 1 . 1 32 32 ASN H H 1 8.766 0.01 . 1 . . . . . 55 ASN H . 51379 1 328 . 1 . 1 32 32 ASN HA H 1 5.040 0.01 . 1 . . . . . 55 ASN HA . 51379 1 329 . 1 . 1 32 32 ASN HB2 H 1 2.843 0.01 . 2 . . . . . 55 ASN HB2 . 51379 1 330 . 1 . 1 32 32 ASN HB3 H 1 3.181 0.01 . 2 . . . . . 55 ASN HB3 . 51379 1 331 . 1 . 1 32 32 ASN HD21 H 1 6.743 0.01 . 2 . . . . . 55 ASN HD21 . 51379 1 332 . 1 . 1 32 32 ASN HD22 H 1 7.711 0.01 . 2 . . . . . 55 ASN HD22 . 51379 1 333 . 1 . 1 32 32 ASN C C 13 176.839 0.2 . 1 . . . . . 55 ASN C . 51379 1 334 . 1 . 1 32 32 ASN CA C 13 52.938 0.2 . 1 . . . . . 55 ASN CA . 51379 1 335 . 1 . 1 32 32 ASN CB C 13 38.461 0.2 . 1 . . . . . 55 ASN CB . 51379 1 336 . 1 . 1 32 32 ASN N N 15 126.007 0.2 . 1 . . . . . 55 ASN N . 51379 1 337 . 1 . 1 32 32 ASN ND2 N 15 112.319 0.2 . 1 . . . . . 55 ASN ND2 . 51379 1 338 . 1 . 1 33 33 LEU H H 1 9.114 0.01 . 1 . . . . . 56 LEU H . 51379 1 339 . 1 . 1 33 33 LEU HA H 1 4.493 0.01 . 1 . . . . . 56 LEU HA . 51379 1 340 . 1 . 1 33 33 LEU HB2 H 1 1.974 0.01 . 2 . . . . . 56 LEU HB2 . 51379 1 341 . 1 . 1 33 33 LEU HB3 H 1 2.392 0.01 . 2 . . . . . 56 LEU HB3 . 51379 1 342 . 1 . 1 33 33 LEU HG H 1 1.872 0.01 . 1 . . . . . 56 LEU HG . 51379 1 343 . 1 . 1 33 33 LEU HD11 H 1 1.031 0.01 . 2 . . . . . 56 LEU MD1 . 51379 1 344 . 1 . 1 33 33 LEU HD12 H 1 1.031 0.01 . 2 . . . . . 56 LEU MD1 . 51379 1 345 . 1 . 1 33 33 LEU HD13 H 1 1.031 0.01 . 2 . . . . . 56 LEU MD1 . 51379 1 346 . 1 . 1 33 33 LEU HD21 H 1 0.931 0.01 . 2 . . . . . 56 LEU MD2 . 51379 1 347 . 1 . 1 33 33 LEU HD22 H 1 0.931 0.01 . 2 . . . . . 56 LEU MD2 . 51379 1 348 . 1 . 1 33 33 LEU HD23 H 1 0.931 0.01 . 2 . . . . . 56 LEU MD2 . 51379 1 349 . 1 . 1 33 33 LEU C C 13 176.830 0.2 . 1 . . . . . 56 LEU C . 51379 1 350 . 1 . 1 33 33 LEU CA C 13 57.154 0.2 . 1 . . . . . 56 LEU CA . 51379 1 351 . 1 . 1 33 33 LEU CB C 13 38.615 0.2 . 1 . . . . . 56 LEU CB . 51379 1 352 . 1 . 1 33 33 LEU CG C 13 27.879 0.2 . 1 . . . . . 56 LEU CG . 51379 1 353 . 1 . 1 33 33 LEU CD1 C 13 23.124 0.2 . 2 . . . . . 56 LEU CD1 . 51379 1 354 . 1 . 1 33 33 LEU CD2 C 13 26.638 0.2 . 2 . . . . . 56 LEU CD2 . 51379 1 355 . 1 . 1 33 33 LEU N N 15 123.919 0.2 . 1 . . . . . 56 LEU N . 51379 1 356 . 1 . 1 34 34 ASP H H 1 8.461 0.01 . 1 . . . . . 57 ASP H . 51379 1 357 . 1 . 1 34 34 ASP HA H 1 4.188 0.01 . 1 . . . . . 57 ASP HA . 51379 1 358 . 1 . 1 34 34 ASP HB2 H 1 2.888 0.01 . 2 . . . . . 57 ASP HB2 . 51379 1 359 . 1 . 1 34 34 ASP HB3 H 1 3.031 0.01 . 2 . . . . . 57 ASP HB3 . 51379 1 360 . 1 . 1 34 34 ASP C C 13 178.554 0.2 . 1 . . . . . 57 ASP C . 51379 1 361 . 1 . 1 34 34 ASP CA C 13 56.477 0.2 . 1 . . . . . 57 ASP CA . 51379 1 362 . 1 . 1 34 34 ASP CB C 13 38.750 0.2 . 1 . . . . . 57 ASP CB . 51379 1 363 . 1 . 1 34 34 ASP N N 15 121.359 0.2 . 1 . . . . . 57 ASP N . 51379 1 364 . 1 . 1 35 35 LYS H H 1 7.810 0.01 . 1 . . . . . 58 LYS H . 51379 1 365 . 1 . 1 35 35 LYS HA H 1 4.184 0.01 . 1 . . . . . 58 LYS HA . 51379 1 366 . 1 . 1 35 35 LYS HB2 H 1 1.616 0.01 . 2 . . . . . 58 LYS HB2 . 51379 1 367 . 1 . 1 35 35 LYS HB3 H 1 1.896 0.01 . 2 . . . . . 58 LYS HB3 . 51379 1 368 . 1 . 1 35 35 LYS HG2 H 1 0.272 0.01 . 2 . . . . . 58 LYS HG2 . 51379 1 369 . 1 . 1 35 35 LYS HG3 H 1 1.150 0.01 . 2 . . . . . 58 LYS HG3 . 51379 1 370 . 1 . 1 35 35 LYS HD2 H 1 1.483 0.01 . 2 . . . . . 58 LYS HD2 . 51379 1 371 . 1 . 1 35 35 LYS HD3 H 1 1.483 0.01 . 2 . . . . . 58 LYS HD3 . 51379 1 372 . 1 . 1 35 35 LYS HE2 H 1 2.561 0.01 . 2 . . . . . 58 LYS HE2 . 51379 1 373 . 1 . 1 35 35 LYS HE3 H 1 2.759 0.01 . 2 . . . . . 58 LYS HE3 . 51379 1 374 . 1 . 1 35 35 LYS C C 13 176.865 0.2 . 1 . . . . . 58 LYS C . 51379 1 375 . 1 . 1 35 35 LYS CA C 13 58.235 0.2 . 1 . . . . . 58 LYS CA . 51379 1 376 . 1 . 1 35 35 LYS CB C 13 31.469 0.2 . 1 . . . . . 58 LYS CB . 51379 1 377 . 1 . 1 35 35 LYS CG C 13 23.711 0.2 . 1 . . . . . 58 LYS CG . 51379 1 378 . 1 . 1 35 35 LYS CD C 13 29.482 0.2 . 1 . . . . . 58 LYS CD . 51379 1 379 . 1 . 1 35 35 LYS CE C 13 41.764 0.2 . 1 . . . . . 58 LYS CE . 51379 1 380 . 1 . 1 35 35 LYS N N 15 121.059 0.2 . 1 . . . . . 58 LYS N . 51379 1 381 . 1 . 1 36 36 TYR H H 1 7.639 0.01 . 1 . . . . . 59 TYR H . 51379 1 382 . 1 . 1 36 36 TYR HA H 1 4.487 0.01 . 1 . . . . . 59 TYR HA . 51379 1 383 . 1 . 1 36 36 TYR HB2 H 1 2.770 0.01 . 2 . . . . . 59 TYR HB2 . 51379 1 384 . 1 . 1 36 36 TYR HB3 H 1 3.558 0.01 . 2 . . . . . 59 TYR HB3 . 51379 1 385 . 1 . 1 36 36 TYR HD1 H 1 7.227 0.01 . 3 . . . . . 59 TYR HD1 . 51379 1 386 . 1 . 1 36 36 TYR HD2 H 1 7.227 0.01 . 3 . . . . . 59 TYR HD2 . 51379 1 387 . 1 . 1 36 36 TYR HE1 H 1 6.789 0.01 . 3 . . . . . 59 TYR HE1 . 51379 1 388 . 1 . 1 36 36 TYR HE2 H 1 6.789 0.01 . 3 . . . . . 59 TYR HE2 . 51379 1 389 . 1 . 1 36 36 TYR C C 13 174.621 0.2 . 1 . . . . . 59 TYR C . 51379 1 390 . 1 . 1 36 36 TYR CA C 13 59.546 0.2 . 1 . . . . . 59 TYR CA . 51379 1 391 . 1 . 1 36 36 TYR CB C 13 37.466 0.2 . 1 . . . . . 59 TYR CB . 51379 1 392 . 1 . 1 36 36 TYR CD1 C 13 132.550 0.2 . 3 . . . . . 59 TYR CD1 . 51379 1 393 . 1 . 1 36 36 TYR CD2 C 13 132.550 0.2 . 3 . . . . . 59 TYR CD2 . 51379 1 394 . 1 . 1 36 36 TYR CE1 C 13 117.764 0.2 . 3 . . . . . 59 TYR CE1 . 51379 1 395 . 1 . 1 36 36 TYR CE2 C 13 117.764 0.2 . 3 . . . . . 59 TYR CE2 . 51379 1 396 . 1 . 1 36 36 TYR N N 15 118.099 0.2 . 1 . . . . . 59 TYR N . 51379 1 397 . 1 . 1 37 37 ARG H H 1 7.268 0.01 . 1 . . . . . 60 ARG H . 51379 1 398 . 1 . 1 37 37 ARG HA H 1 3.646 0.01 . 1 . . . . . 60 ARG HA . 51379 1 399 . 1 . 1 37 37 ARG HB2 H 1 1.044 0.01 . 2 . . . . . 60 ARG HB2 . 51379 1 400 . 1 . 1 37 37 ARG HB3 H 1 1.310 0.01 . 2 . . . . . 60 ARG HB3 . 51379 1 401 . 1 . 1 37 37 ARG HG2 H 1 0.060 0.01 . 2 . . . . . 60 ARG HG2 . 51379 1 402 . 1 . 1 37 37 ARG HG3 H 1 0.511 0.01 . 2 . . . . . 60 ARG HG3 . 51379 1 403 . 1 . 1 37 37 ARG HD2 H 1 2.757 0.01 . 2 . . . . . 60 ARG HD2 . 51379 1 404 . 1 . 1 37 37 ARG HD3 H 1 2.836 0.01 . 2 . . . . . 60 ARG HD3 . 51379 1 405 . 1 . 1 37 37 ARG C C 13 176.751 0.2 . 1 . . . . . 60 ARG C . 51379 1 406 . 1 . 1 37 37 ARG CA C 13 58.954 0.2 . 1 . . . . . 60 ARG CA . 51379 1 407 . 1 . 1 37 37 ARG CB C 13 29.459 0.2 . 1 . . . . . 60 ARG CB . 51379 1 408 . 1 . 1 37 37 ARG CG C 13 26.592 0.2 . 1 . . . . . 60 ARG CG . 51379 1 409 . 1 . 1 37 37 ARG CD C 13 42.990 0.2 . 1 . . . . . 60 ARG CD . 51379 1 410 . 1 . 1 37 37 ARG N N 15 123.890 0.2 . 1 . . . . . 60 ARG N . 51379 1 411 . 1 . 1 38 38 GLY H H 1 8.872 0.01 . 1 . . . . . 61 GLY H . 51379 1 412 . 1 . 1 38 38 GLY HA2 H 1 3.568 0.01 . 2 . . . . . 61 GLY HA2 . 51379 1 413 . 1 . 1 38 38 GLY HA3 H 1 4.144 0.01 . 2 . . . . . 61 GLY HA3 . 51379 1 414 . 1 . 1 38 38 GLY C C 13 172.461 0.2 . 1 . . . . . 61 GLY C . 51379 1 415 . 1 . 1 38 38 GLY CA C 13 45.017 0.2 . 1 . . . . . 61 GLY CA . 51379 1 416 . 1 . 1 38 38 GLY N N 15 113.944 0.2 . 1 . . . . . 61 GLY N . 51379 1 417 . 1 . 1 39 39 PHE H H 1 8.411 0.01 . 1 . . . . . 62 PHE H . 51379 1 418 . 1 . 1 39 39 PHE HA H 1 5.139 0.01 . 1 . . . . . 62 PHE HA . 51379 1 419 . 1 . 1 39 39 PHE HB2 H 1 2.931 0.01 . 2 . . . . . 62 PHE HB2 . 51379 1 420 . 1 . 1 39 39 PHE HB3 H 1 3.550 0.01 . 2 . . . . . 62 PHE HB3 . 51379 1 421 . 1 . 1 39 39 PHE HD1 H 1 7.273 0.01 . 3 . . . . . 62 PHE HD1 . 51379 1 422 . 1 . 1 39 39 PHE HD2 H 1 7.273 0.01 . 3 . . . . . 62 PHE HD2 . 51379 1 423 . 1 . 1 39 39 PHE HE1 H 1 7.376 0.01 . 3 . . . . . 62 PHE HE1 . 51379 1 424 . 1 . 1 39 39 PHE HE2 H 1 7.376 0.01 . 3 . . . . . 62 PHE HE2 . 51379 1 425 . 1 . 1 39 39 PHE C C 13 174.823 0.2 . 1 . . . . . 62 PHE C . 51379 1 426 . 1 . 1 39 39 PHE CA C 13 57.177 0.2 . 1 . . . . . 62 PHE CA . 51379 1 427 . 1 . 1 39 39 PHE CB C 13 39.966 0.2 . 1 . . . . . 62 PHE CB . 51379 1 428 . 1 . 1 39 39 PHE CD1 C 13 131.608 0.2 . 3 . . . . . 62 PHE CD1 . 51379 1 429 . 1 . 1 39 39 PHE CD2 C 13 131.608 0.2 . 3 . . . . . 62 PHE CD2 . 51379 1 430 . 1 . 1 39 39 PHE CE1 C 13 131.606 0.2 . 3 . . . . . 62 PHE CE1 . 51379 1 431 . 1 . 1 39 39 PHE CE2 C 13 131.500 0.2 . 3 . . . . . 62 PHE CE2 . 51379 1 432 . 1 . 1 39 39 PHE N N 15 119.990 0.2 . 1 . . . . . 62 PHE N . 51379 1 433 . 1 . 1 40 40 VAL H H 1 8.286 0.01 . 1 . . . . . 63 VAL H . 51379 1 434 . 1 . 1 40 40 VAL HA H 1 4.145 0.01 . 1 . . . . . 63 VAL HA . 51379 1 435 . 1 . 1 40 40 VAL HB H 1 1.880 0.01 . 1 . . . . . 63 VAL HB . 51379 1 436 . 1 . 1 40 40 VAL HG11 H 1 0.754 0.01 . 2 . . . . . 63 VAL MG1 . 51379 1 437 . 1 . 1 40 40 VAL HG12 H 1 0.754 0.01 . 2 . . . . . 63 VAL MG1 . 51379 1 438 . 1 . 1 40 40 VAL HG13 H 1 0.754 0.01 . 2 . . . . . 63 VAL MG1 . 51379 1 439 . 1 . 1 40 40 VAL HG21 H 1 0.939 0.01 . 2 . . . . . 63 VAL MG2 . 51379 1 440 . 1 . 1 40 40 VAL HG22 H 1 0.939 0.01 . 2 . . . . . 63 VAL MG2 . 51379 1 441 . 1 . 1 40 40 VAL HG23 H 1 0.939 0.01 . 2 . . . . . 63 VAL MG2 . 51379 1 442 . 1 . 1 40 40 VAL C C 13 175.219 0.2 . 1 . . . . . 63 VAL C . 51379 1 443 . 1 . 1 40 40 VAL CA C 13 62.784 0.2 . 1 . . . . . 63 VAL CA . 51379 1 444 . 1 . 1 40 40 VAL CB C 13 32.963 0.2 . 1 . . . . . 63 VAL CB . 51379 1 445 . 1 . 1 40 40 VAL CG1 C 13 22.002 0.2 . 2 . . . . . 63 VAL CG1 . 51379 1 446 . 1 . 1 40 40 VAL CG2 C 13 24.588 0.2 . 2 . . . . . 63 VAL CG2 . 51379 1 447 . 1 . 1 40 40 VAL N N 15 124.661 0.2 . 1 . . . . . 63 VAL N . 51379 1 448 . 1 . 1 41 41 SER H H 1 9.027 0.01 . 1 . . . . . 64 SER H . 51379 1 449 . 1 . 1 41 41 SER HA H 1 5.897 0.01 . 1 . . . . . 64 SER HA . 51379 1 450 . 1 . 1 41 41 SER HB2 H 1 3.236 0.01 . 2 . . . . . 64 SER HB2 . 51379 1 451 . 1 . 1 41 41 SER HB3 H 1 3.236 0.01 . 2 . . . . . 64 SER HB3 . 51379 1 452 . 1 . 1 41 41 SER HG H 1 3.238 0.01 . 1 . . . . . 64 SER HG . 51379 1 453 . 1 . 1 41 41 SER C C 13 173.168 0.2 . 1 . . . . . 64 SER C . 51379 1 454 . 1 . 1 41 41 SER CA C 13 57.489 0.2 . 1 . . . . . 64 SER CA . 51379 1 455 . 1 . 1 41 41 SER CB C 13 66.002 0.2 . 1 . . . . . 64 SER CB . 51379 1 456 . 1 . 1 41 41 SER N N 15 121.506 0.2 . 1 . . . . . 64 SER N . 51379 1 457 . 1 . 1 42 42 ILE H H 1 8.646 0.01 . 1 . . . . . 65 ILE H . 51379 1 458 . 1 . 1 42 42 ILE HA H 1 5.009 0.01 . 1 . . . . . 65 ILE HA . 51379 1 459 . 1 . 1 42 42 ILE HB H 1 1.591 0.01 . 1 . . . . . 65 ILE HB . 51379 1 460 . 1 . 1 42 42 ILE HG12 H 1 1.686 0.01 . 2 . . . . . 65 ILE HG12 . 51379 1 461 . 1 . 1 42 42 ILE HG13 H 1 1.686 0.01 . 2 . . . . . 65 ILE HG13 . 51379 1 462 . 1 . 1 42 42 ILE HG21 H 1 0.590 0.01 . 1 . . . . . 65 ILE MG . 51379 1 463 . 1 . 1 42 42 ILE HG22 H 1 0.590 0.01 . 1 . . . . . 65 ILE MG . 51379 1 464 . 1 . 1 42 42 ILE HG23 H 1 0.590 0.01 . 1 . . . . . 65 ILE MG . 51379 1 465 . 1 . 1 42 42 ILE HD11 H 1 0.702 0.01 . 1 . . . . . 65 ILE MD . 51379 1 466 . 1 . 1 42 42 ILE HD12 H 1 0.702 0.01 . 1 . . . . . 65 ILE MD . 51379 1 467 . 1 . 1 42 42 ILE HD13 H 1 0.702 0.01 . 1 . . . . . 65 ILE MD . 51379 1 468 . 1 . 1 42 42 ILE C C 13 174.383 0.2 . 1 . . . . . 65 ILE C . 51379 1 469 . 1 . 1 42 42 ILE CA C 13 59.617 0.2 . 1 . . . . . 65 ILE CA . 51379 1 470 . 1 . 1 42 42 ILE CB C 13 40.428 0.2 . 1 . . . . . 65 ILE CB . 51379 1 471 . 1 . 1 42 42 ILE CG1 C 13 28.043 0.2 . 1 . . . . . 65 ILE CG1 . 51379 1 472 . 1 . 1 42 42 ILE CG2 C 13 16.322 0.2 . 1 . . . . . 65 ILE CG2 . 51379 1 473 . 1 . 1 42 42 ILE CD1 C 13 14.768 0.2 . 1 . . . . . 65 ILE CD1 . 51379 1 474 . 1 . 1 42 42 ILE N N 15 123.284 0.2 . 1 . . . . . 65 ILE N . 51379 1 475 . 1 . 1 43 43 VAL H H 1 9.274 0.01 . 1 . . . . . 66 VAL H . 51379 1 476 . 1 . 1 43 43 VAL HA H 1 5.139 0.01 . 1 . . . . . 66 VAL HA . 51379 1 477 . 1 . 1 43 43 VAL HB H 1 1.676 0.01 . 1 . . . . . 66 VAL HB . 51379 1 478 . 1 . 1 43 43 VAL HG11 H 1 0.861 0.01 . 2 . . . . . 66 VAL MG1 . 51379 1 479 . 1 . 1 43 43 VAL HG12 H 1 0.861 0.01 . 2 . . . . . 66 VAL MG1 . 51379 1 480 . 1 . 1 43 43 VAL HG13 H 1 0.861 0.01 . 2 . . . . . 66 VAL MG1 . 51379 1 481 . 1 . 1 43 43 VAL HG21 H 1 0.756 0.01 . 2 . . . . . 66 VAL MG2 . 51379 1 482 . 1 . 1 43 43 VAL HG22 H 1 0.756 0.01 . 2 . . . . . 66 VAL MG2 . 51379 1 483 . 1 . 1 43 43 VAL HG23 H 1 0.756 0.01 . 2 . . . . . 66 VAL MG2 . 51379 1 484 . 1 . 1 43 43 VAL C C 13 175.610 0.2 . 1 . . . . . 66 VAL C . 51379 1 485 . 1 . 1 43 43 VAL CA C 13 60.882 0.2 . 1 . . . . . 66 VAL CA . 51379 1 486 . 1 . 1 43 43 VAL CB C 13 33.733 0.2 . 1 . . . . . 66 VAL CB . 51379 1 487 . 1 . 1 43 43 VAL CG1 C 13 22.552 0.2 . 2 . . . . . 66 VAL CG1 . 51379 1 488 . 1 . 1 43 43 VAL CG2 C 13 22.693 0.2 . 2 . . . . . 66 VAL CG2 . 51379 1 489 . 1 . 1 43 43 VAL N N 15 127.813 0.2 . 1 . . . . . 66 VAL N . 51379 1 490 . 1 . 1 44 44 THR H H 1 9.102 0.01 . 1 . . . . . 67 THR H . 51379 1 491 . 1 . 1 44 44 THR HA H 1 6.061 0.01 . 1 . . . . . 67 THR HA . 51379 1 492 . 1 . 1 44 44 THR HB H 1 3.858 0.01 . 1 . . . . . 67 THR HB . 51379 1 493 . 1 . 1 44 44 THR HG21 H 1 0.941 0.01 . 1 . . . . . 67 THR MG . 51379 1 494 . 1 . 1 44 44 THR HG22 H 1 0.941 0.01 . 1 . . . . . 67 THR MG . 51379 1 495 . 1 . 1 44 44 THR HG23 H 1 0.941 0.01 . 1 . . . . . 67 THR MG . 51379 1 496 . 1 . 1 44 44 THR C C 13 171.002 0.2 . 1 . . . . . 67 THR C . 51379 1 497 . 1 . 1 44 44 THR CA C 13 59.065 0.2 . 1 . . . . . 67 THR CA . 51379 1 498 . 1 . 1 44 44 THR CB C 13 71.500 0.2 . 1 . . . . . 67 THR CB . 51379 1 499 . 1 . 1 44 44 THR CG2 C 13 17.346 0.2 . 1 . . . . . 67 THR CG2 . 51379 1 500 . 1 . 1 44 44 THR N N 15 121.312 0.2 . 1 . . . . . 67 THR N . 51379 1 501 . 1 . 1 45 45 ASN H H 1 8.861 0.01 . 1 . . . . . 68 ASN H . 51379 1 502 . 1 . 1 45 45 ASN HA H 1 6.160 0.01 . 1 . . . . . 68 ASN HA . 51379 1 503 . 1 . 1 45 45 ASN HB2 H 1 2.144 0.01 . 2 . . . . . 68 ASN HB2 . 51379 1 504 . 1 . 1 45 45 ASN HB3 H 1 2.144 0.01 . 2 . . . . . 68 ASN HB3 . 51379 1 505 . 1 . 1 45 45 ASN C C 13 174.958 0.2 . 1 . . . . . 68 ASN C . 51379 1 506 . 1 . 1 45 45 ASN CA C 13 50.879 0.2 . 1 . . . . . 68 ASN CA . 51379 1 507 . 1 . 1 45 45 ASN CB C 13 36.637 0.2 . 1 . . . . . 68 ASN CB . 51379 1 508 . 1 . 1 45 45 ASN N N 15 126.178 0.2 . 1 . . . . . 68 ASN N . 51379 1 509 . 1 . 1 46 46 VAL H H 1 8.137 0.01 . 1 . . . . . 69 VAL H . 51379 1 510 . 1 . 1 46 46 VAL HA H 1 3.524 0.01 . 1 . . . . . 69 VAL HA . 51379 1 511 . 1 . 1 46 46 VAL HB H 1 2.046 0.01 . 1 . . . . . 69 VAL HB . 51379 1 512 . 1 . 1 46 46 VAL HG11 H 1 0.733 0.01 . 2 . . . . . 69 VAL MG1 . 51379 1 513 . 1 . 1 46 46 VAL HG12 H 1 0.733 0.01 . 2 . . . . . 69 VAL MG1 . 51379 1 514 . 1 . 1 46 46 VAL HG13 H 1 0.733 0.01 . 2 . . . . . 69 VAL MG1 . 51379 1 515 . 1 . 1 46 46 VAL HG21 H 1 0.693 0.01 . 2 . . . . . 69 VAL MG2 . 51379 1 516 . 1 . 1 46 46 VAL HG22 H 1 0.693 0.01 . 2 . . . . . 69 VAL MG2 . 51379 1 517 . 1 . 1 46 46 VAL HG23 H 1 0.693 0.01 . 2 . . . . . 69 VAL MG2 . 51379 1 518 . 1 . 1 46 46 VAL C C 13 173.556 0.2 . 1 . . . . . 69 VAL C . 51379 1 519 . 1 . 1 46 46 VAL CA C 13 58.081 0.2 . 1 . . . . . 69 VAL CA . 51379 1 520 . 1 . 1 46 46 VAL CB C 13 34.954 0.2 . 1 . . . . . 69 VAL CB . 51379 1 521 . 1 . 1 46 46 VAL CG1 C 13 17.604 0.2 . 2 . . . . . 69 VAL CG1 . 51379 1 522 . 1 . 1 46 46 VAL CG2 C 13 22.591 0.2 . 2 . . . . . 69 VAL CG2 . 51379 1 523 . 1 . 1 46 46 VAL N N 15 113.459 0.2 . 1 . . . . . 69 VAL N . 51379 1 524 . 1 . 1 47 47 ALA H H 1 6.385 0.01 . 1 . . . . . 70 ALA H . 51379 1 525 . 1 . 1 47 47 ALA HA H 1 4.539 0.01 . 1 . . . . . 70 ALA HA . 51379 1 526 . 1 . 1 47 47 ALA HB1 H 1 1.146 0.01 . 1 . . . . . 70 ALA MB . 51379 1 527 . 1 . 1 47 47 ALA HB2 H 1 1.146 0.01 . 1 . . . . . 70 ALA MB . 51379 1 528 . 1 . 1 47 47 ALA HB3 H 1 1.146 0.01 . 1 . . . . . 70 ALA MB . 51379 1 529 . 1 . 1 47 47 ALA C C 13 178.433 0.2 . 1 . . . . . 70 ALA C . 51379 1 530 . 1 . 1 47 47 ALA CA C 13 52.435 0.2 . 1 . . . . . 70 ALA CA . 51379 1 531 . 1 . 1 47 47 ALA CB C 13 22.251 0.2 . 1 . . . . . 70 ALA CB . 51379 1 532 . 1 . 1 47 47 ALA N N 15 119.299 0.2 . 1 . . . . . 70 ALA N . 51379 1 533 . 1 . 1 48 48 SER H H 1 7.944 0.01 . 1 . . . . . 71 SER H . 51379 1 534 . 1 . 1 48 48 SER HA H 1 4.387 0.01 . 1 . . . . . 71 SER HA . 51379 1 535 . 1 . 1 48 48 SER HB2 H 1 2.578 0.01 . 2 . . . . . 71 SER HB2 . 51379 1 536 . 1 . 1 48 48 SER HB3 H 1 3.322 0.01 . 2 . . . . . 71 SER HB3 . 51379 1 537 . 1 . 1 48 48 SER C C 13 174.164 0.2 . 1 . . . . . 71 SER C . 51379 1 538 . 1 . 1 48 48 SER CA C 13 61.765 0.2 . 1 . . . . . 71 SER CA . 51379 1 539 . 1 . 1 48 48 SER CB C 13 63.634 0.2 . 1 . . . . . 71 SER CB . 51379 1 540 . 1 . 1 48 48 SER N N 15 118.768 0.2 . 1 . . . . . 71 SER N . 51379 1 541 . 1 . 1 49 49 GLN H H 1 8.414 0.01 . 1 . . . . . 72 GLN H . 51379 1 542 . 1 . 1 49 49 GLN HA H 1 4.797 0.01 . 1 . . . . . 72 GLN HA . 51379 1 543 . 1 . 1 49 49 GLN HB2 H 1 1.669 0.01 . 2 . . . . . 72 GLN HB2 . 51379 1 544 . 1 . 1 49 49 GLN HB3 H 1 1.669 0.01 . 2 . . . . . 72 GLN HB3 . 51379 1 545 . 1 . 1 49 49 GLN HG2 H 1 2.145 0.01 . 2 . . . . . 72 GLN HG2 . 51379 1 546 . 1 . 1 49 49 GLN HG3 H 1 2.145 0.01 . 2 . . . . . 72 GLN HG3 . 51379 1 547 . 1 . 1 49 49 GLN C C 13 173.997 0.2 . 1 . . . . . 72 GLN C . 51379 1 548 . 1 . 1 49 49 GLN CA C 13 54.166 0.2 . 1 . . . . . 72 GLN CA . 51379 1 549 . 1 . 1 49 49 GLN CB C 13 27.362 0.2 . 1 . . . . . 72 GLN CB . 51379 1 550 . 1 . 1 49 49 GLN CG C 13 33.423 0.2 . 1 . . . . . 72 GLN CG . 51379 1 551 . 1 . 1 49 49 GLN N N 15 119.137 0.2 . 1 . . . . . 72 GLN N . 51379 1 552 . 1 . 1 50 50 CYS H H 1 7.723 0.01 . 1 . . . . . 73 CYS H . 51379 1 553 . 1 . 1 50 50 CYS HA H 1 4.326 0.01 . 1 . . . . . 73 CYS HA . 51379 1 554 . 1 . 1 50 50 CYS HB2 H 1 2.950 0.01 . 2 . . . . . 73 CYS HB2 . 51379 1 555 . 1 . 1 50 50 CYS HB3 H 1 3.077 0.01 . 2 . . . . . 73 CYS HB3 . 51379 1 556 . 1 . 1 50 50 CYS C C 13 177.775 0.2 . 1 . . . . . 73 CYS C . 51379 1 557 . 1 . 1 50 50 CYS CA C 13 54.047 0.2 . 1 . . . . . 73 CYS CA . 51379 1 558 . 1 . 1 50 50 CYS CB C 13 36.923 0.2 . 1 . . . . . 73 CYS CB . 51379 1 559 . 1 . 1 50 50 CYS N N 15 121.544 0.2 . 1 . . . . . 73 CYS N . 51379 1 560 . 1 . 1 51 51 GLY H H 1 7.478 0.01 . 1 . . . . . 74 GLY H . 51379 1 561 . 1 . 1 51 51 GLY HA2 H 1 3.907 0.01 . 2 . . . . . 74 GLY HA2 . 51379 1 562 . 1 . 1 51 51 GLY HA3 H 1 4.184 0.01 . 2 . . . . . 74 GLY HA3 . 51379 1 563 . 1 . 1 51 51 GLY C C 13 175.814 0.2 . 1 . . . . . 74 GLY C . 51379 1 564 . 1 . 1 51 51 GLY CA C 13 47.974 0.2 . 1 . . . . . 74 GLY CA . 51379 1 565 . 1 . 1 51 51 GLY N N 15 112.537 0.2 . 1 . . . . . 74 GLY N . 51379 1 566 . 1 . 1 52 52 LYS H H 1 9.632 0.01 . 1 . . . . . 75 LYS H . 51379 1 567 . 1 . 1 52 52 LYS HA H 1 4.894 0.01 . 1 . . . . . 75 LYS HA . 51379 1 568 . 1 . 1 52 52 LYS HB2 H 1 2.194 0.01 . 2 . . . . . 75 LYS HB2 . 51379 1 569 . 1 . 1 52 52 LYS HB3 H 1 2.194 0.01 . 2 . . . . . 75 LYS HB3 . 51379 1 570 . 1 . 1 52 52 LYS HG2 H 1 1.484 0.01 . 2 . . . . . 75 LYS HG2 . 51379 1 571 . 1 . 1 52 52 LYS HG3 H 1 1.624 0.01 . 2 . . . . . 75 LYS HG3 . 51379 1 572 . 1 . 1 52 52 LYS C C 13 177.464 0.2 . 1 . . . . . 75 LYS C . 51379 1 573 . 1 . 1 52 52 LYS CA C 13 54.221 0.2 . 1 . . . . . 75 LYS CA . 51379 1 574 . 1 . 1 52 52 LYS CB C 13 31.506 0.2 . 1 . . . . . 75 LYS CB . 51379 1 575 . 1 . 1 52 52 LYS CG C 13 24.858 0.2 . 1 . . . . . 75 LYS CG . 51379 1 576 . 1 . 1 52 52 LYS N N 15 120.836 0.2 . 1 . . . . . 75 LYS N . 51379 1 577 . 1 . 1 53 53 THR H H 1 8.227 0.01 . 1 . . . . . 76 THR H . 51379 1 578 . 1 . 1 53 53 THR HA H 1 4.191 0.01 . 1 . . . . . 76 THR HA . 51379 1 579 . 1 . 1 53 53 THR HB H 1 4.515 0.01 . 1 . . . . . 76 THR HB . 51379 1 580 . 1 . 1 53 53 THR C C 13 174.915 0.2 . 1 . . . . . 76 THR C . 51379 1 581 . 1 . 1 53 53 THR CA C 13 69.298 0.2 . 1 . . . . . 76 THR CA . 51379 1 582 . 1 . 1 53 53 THR CB C 13 69.901 0.2 . 1 . . . . . 76 THR CB . 51379 1 583 . 1 . 1 53 53 THR N N 15 123.102 0.2 . 1 . . . . . 76 THR N . 51379 1 584 . 1 . 1 54 54 GLU H H 1 8.861 0.01 . 1 . . . . . 77 GLU H . 51379 1 585 . 1 . 1 54 54 GLU HA H 1 4.159 0.01 . 1 . . . . . 77 GLU HA . 51379 1 586 . 1 . 1 54 54 GLU HB2 H 1 2.287 0.01 . 2 . . . . . 77 GLU HB2 . 51379 1 587 . 1 . 1 54 54 GLU HB3 H 1 2.287 0.01 . 2 . . . . . 77 GLU HB3 . 51379 1 588 . 1 . 1 54 54 GLU HG2 H 1 2.469 0.01 . 2 . . . . . 77 GLU HG2 . 51379 1 589 . 1 . 1 54 54 GLU HG3 H 1 2.469 0.01 . 2 . . . . . 77 GLU HG3 . 51379 1 590 . 1 . 1 54 54 GLU C C 13 179.907 0.2 . 1 . . . . . 77 GLU C . 51379 1 591 . 1 . 1 54 54 GLU CA C 13 60.683 0.2 . 1 . . . . . 77 GLU CA . 51379 1 592 . 1 . 1 54 54 GLU CB C 13 29.336 0.2 . 1 . . . . . 77 GLU CB . 51379 1 593 . 1 . 1 54 54 GLU CG C 13 36.200 0.2 . 1 . . . . . 77 GLU CG . 51379 1 594 . 1 . 1 54 54 GLU N N 15 122.003 0.2 . 1 . . . . . 77 GLU N . 51379 1 595 . 1 . 1 55 55 VAL H H 1 8.540 0.01 . 1 . . . . . 78 VAL H . 51379 1 596 . 1 . 1 55 55 VAL HA H 1 3.929 0.01 . 1 . . . . . 78 VAL HA . 51379 1 597 . 1 . 1 55 55 VAL HB H 1 2.012 0.01 . 1 . . . . . 78 VAL HB . 51379 1 598 . 1 . 1 55 55 VAL HG11 H 1 0.935 0.01 . 2 . . . . . 78 VAL MG1 . 51379 1 599 . 1 . 1 55 55 VAL HG12 H 1 0.935 0.01 . 2 . . . . . 78 VAL MG1 . 51379 1 600 . 1 . 1 55 55 VAL HG13 H 1 0.935 0.01 . 2 . . . . . 78 VAL MG1 . 51379 1 601 . 1 . 1 55 55 VAL HG21 H 1 1.029 0.01 . 2 . . . . . 78 VAL MG2 . 51379 1 602 . 1 . 1 55 55 VAL HG22 H 1 1.029 0.01 . 2 . . . . . 78 VAL MG2 . 51379 1 603 . 1 . 1 55 55 VAL HG23 H 1 1.029 0.01 . 2 . . . . . 78 VAL MG2 . 51379 1 604 . 1 . 1 55 55 VAL C C 13 176.399 0.2 . 1 . . . . . 78 VAL C . 51379 1 605 . 1 . 1 55 55 VAL CA C 13 65.498 0.2 . 1 . . . . . 78 VAL CA . 51379 1 606 . 1 . 1 55 55 VAL CB C 13 31.448 0.2 . 1 . . . . . 78 VAL CB . 51379 1 607 . 1 . 1 55 55 VAL CG1 C 13 20.397 0.2 . 2 . . . . . 78 VAL CG1 . 51379 1 608 . 1 . 1 55 55 VAL CG2 C 13 23.075 0.2 . 2 . . . . . 78 VAL CG2 . 51379 1 609 . 1 . 1 55 55 VAL N N 15 120.628 0.2 . 1 . . . . . 78 VAL N . 51379 1 610 . 1 . 1 56 56 ASN H H 1 7.365 0.01 . 1 . . . . . 79 ASN H . 51379 1 611 . 1 . 1 56 56 ASN HA H 1 3.973 0.01 . 1 . . . . . 79 ASN HA . 51379 1 612 . 1 . 1 56 56 ASN HB2 H 1 1.446 0.01 . 2 . . . . . 79 ASN HB2 . 51379 1 613 . 1 . 1 56 56 ASN HB3 H 1 1.355 0.01 . 2 . . . . . 79 ASN HB3 . 51379 1 614 . 1 . 1 56 56 ASN C C 13 177.340 0.2 . 1 . . . . . 79 ASN C . 51379 1 615 . 1 . 1 56 56 ASN CA C 13 57.807 0.2 . 1 . . . . . 79 ASN CA . 51379 1 616 . 1 . 1 56 56 ASN CB C 13 40.587 0.2 . 1 . . . . . 79 ASN CB . 51379 1 617 . 1 . 1 56 56 ASN N N 15 116.857 0.2 . 1 . . . . . 79 ASN N . 51379 1 618 . 1 . 1 57 57 TYR H H 1 8.617 0.01 . 1 . . . . . 80 TYR H . 51379 1 619 . 1 . 1 57 57 TYR HA H 1 3.978 0.01 . 1 . . . . . 80 TYR HA . 51379 1 620 . 1 . 1 57 57 TYR HB2 H 1 2.003 0.01 . 2 . . . . . 80 TYR HB2 . 51379 1 621 . 1 . 1 57 57 TYR HB3 H 1 2.214 0.01 . 2 . . . . . 80 TYR HB3 . 51379 1 622 . 1 . 1 57 57 TYR HD1 H 1 7.175 0.01 . 3 . . . . . 80 TYR HD1 . 51379 1 623 . 1 . 1 57 57 TYR HD2 H 1 7.175 0.01 . 3 . . . . . 80 TYR HD2 . 51379 1 624 . 1 . 1 57 57 TYR HE1 H 1 7.000 0.01 . 3 . . . . . 80 TYR HE1 . 51379 1 625 . 1 . 1 57 57 TYR HE2 H 1 7.000 0.01 . 3 . . . . . 80 TYR HE2 . 51379 1 626 . 1 . 1 57 57 TYR C C 13 178.705 0.2 . 1 . . . . . 80 TYR C . 51379 1 627 . 1 . 1 57 57 TYR CA C 13 65.637 0.2 . 1 . . . . . 80 TYR CA . 51379 1 628 . 1 . 1 57 57 TYR CB C 13 37.522 0.2 . 1 . . . . . 80 TYR CB . 51379 1 629 . 1 . 1 57 57 TYR CD1 C 13 132.182 0.2 . 3 . . . . . 80 TYR CD1 . 51379 1 630 . 1 . 1 57 57 TYR CD2 C 13 132.182 0.2 . 3 . . . . . 80 TYR CD2 . 51379 1 631 . 1 . 1 57 57 TYR CE1 C 13 116.974 0.2 . 3 . . . . . 80 TYR CE1 . 51379 1 632 . 1 . 1 57 57 TYR CE2 C 13 116.974 0.2 . 3 . . . . . 80 TYR CE2 . 51379 1 633 . 1 . 1 57 57 TYR N N 15 116.924 0.2 . 1 . . . . . 80 TYR N . 51379 1 634 . 1 . 1 58 58 THR H H 1 8.069 0.01 . 1 . . . . . 81 THR H . 51379 1 635 . 1 . 1 58 58 THR HA H 1 4.136 0.01 . 1 . . . . . 81 THR HA . 51379 1 636 . 1 . 1 58 58 THR HB H 1 4.293 0.01 . 1 . . . . . 81 THR HB . 51379 1 637 . 1 . 1 58 58 THR C C 13 178.423 0.2 . 1 . . . . . 81 THR C . 51379 1 638 . 1 . 1 58 58 THR CA C 13 66.625 0.2 . 1 . . . . . 81 THR CA . 51379 1 639 . 1 . 1 58 58 THR CB C 13 69.175 0.2 . 1 . . . . . 81 THR CB . 51379 1 640 . 1 . 1 58 58 THR N N 15 108.988 0.2 . 1 . . . . . 81 THR N . 51379 1 641 . 1 . 1 59 59 GLN H H 1 7.838 0.01 . 1 . . . . . 82 GLN H . 51379 1 642 . 1 . 1 59 59 GLN HA H 1 4.339 0.01 . 1 . . . . . 82 GLN HA . 51379 1 643 . 1 . 1 59 59 GLN HB2 H 1 2.027 0.01 . 2 . . . . . 82 GLN HB2 . 51379 1 644 . 1 . 1 59 59 GLN HB3 H 1 2.027 0.01 . 2 . . . . . 82 GLN HB3 . 51379 1 645 . 1 . 1 59 59 GLN HG2 H 1 2.486 0.01 . 2 . . . . . 82 GLN HG2 . 51379 1 646 . 1 . 1 59 59 GLN HG3 H 1 3.072 0.01 . 2 . . . . . 82 GLN HG3 . 51379 1 647 . 1 . 1 59 59 GLN HE21 H 1 7.487 0.01 . 2 . . . . . 82 GLN HE21 . 51379 1 648 . 1 . 1 59 59 GLN HE22 H 1 7.487 0.01 . 2 . . . . . 82 GLN HE22 . 51379 1 649 . 1 . 1 59 59 GLN C C 13 178.879 0.2 . 1 . . . . . 82 GLN C . 51379 1 650 . 1 . 1 59 59 GLN CA C 13 59.535 0.2 . 1 . . . . . 82 GLN CA . 51379 1 651 . 1 . 1 59 59 GLN CB C 13 28.590 0.2 . 1 . . . . . 82 GLN CB . 51379 1 652 . 1 . 1 59 59 GLN CG C 13 34.683 0.2 . 1 . . . . . 82 GLN CG . 51379 1 653 . 1 . 1 59 59 GLN N N 15 120.141 0.2 . 1 . . . . . 82 GLN N . 51379 1 654 . 1 . 1 60 60 LEU H H 1 8.668 0.01 . 1 . . . . . 83 LEU H . 51379 1 655 . 1 . 1 60 60 LEU HA H 1 4.007 0.01 . 1 . . . . . 83 LEU HA . 51379 1 656 . 1 . 1 60 60 LEU HB2 H 1 1.185 0.01 . 2 . . . . . 83 LEU HB2 . 51379 1 657 . 1 . 1 60 60 LEU HB3 H 1 2.113 0.01 . 2 . . . . . 83 LEU HB3 . 51379 1 658 . 1 . 1 60 60 LEU HG H 1 1.930 0.01 . 1 . . . . . 83 LEU HG . 51379 1 659 . 1 . 1 60 60 LEU HD11 H 1 0.635 0.01 . 2 . . . . . 83 LEU MD1 . 51379 1 660 . 1 . 1 60 60 LEU HD12 H 1 0.635 0.01 . 2 . . . . . 83 LEU MD1 . 51379 1 661 . 1 . 1 60 60 LEU HD13 H 1 0.635 0.01 . 2 . . . . . 83 LEU MD1 . 51379 1 662 . 1 . 1 60 60 LEU HD21 H 1 0.549 0.01 . 2 . . . . . 83 LEU MD2 . 51379 1 663 . 1 . 1 60 60 LEU HD22 H 1 0.549 0.01 . 2 . . . . . 83 LEU MD2 . 51379 1 664 . 1 . 1 60 60 LEU HD23 H 1 0.549 0.01 . 2 . . . . . 83 LEU MD2 . 51379 1 665 . 1 . 1 60 60 LEU C C 13 178.564 0.2 . 1 . . . . . 83 LEU C . 51379 1 666 . 1 . 1 60 60 LEU CA C 13 58.848 0.2 . 1 . . . . . 83 LEU CA . 51379 1 667 . 1 . 1 60 60 LEU CB C 13 41.664 0.2 . 1 . . . . . 83 LEU CB . 51379 1 668 . 1 . 1 60 60 LEU CG C 13 27.028 0.2 . 1 . . . . . 83 LEU CG . 51379 1 669 . 1 . 1 60 60 LEU CD1 C 13 21.790 0.2 . 2 . . . . . 83 LEU CD1 . 51379 1 670 . 1 . 1 60 60 LEU CD2 C 13 25.014 0.2 . 2 . . . . . 83 LEU CD2 . 51379 1 671 . 1 . 1 60 60 LEU N N 15 120.856 0.2 . 1 . . . . . 83 LEU N . 51379 1 672 . 1 . 1 61 61 VAL H H 1 8.442 0.01 . 1 . . . . . 84 VAL H . 51379 1 673 . 1 . 1 61 61 VAL HA H 1 4.192 0.01 . 1 . . . . . 84 VAL HA . 51379 1 674 . 1 . 1 61 61 VAL HB H 1 2.463 0.01 . 1 . . . . . 84 VAL HB . 51379 1 675 . 1 . 1 61 61 VAL HG11 H 1 1.247 0.01 . 2 . . . . . 84 VAL MG1 . 51379 1 676 . 1 . 1 61 61 VAL HG12 H 1 1.247 0.01 . 2 . . . . . 84 VAL MG1 . 51379 1 677 . 1 . 1 61 61 VAL HG13 H 1 1.247 0.01 . 2 . . . . . 84 VAL MG1 . 51379 1 678 . 1 . 1 61 61 VAL HG21 H 1 1.470 0.01 . 2 . . . . . 84 VAL MG2 . 51379 1 679 . 1 . 1 61 61 VAL HG22 H 1 1.470 0.01 . 2 . . . . . 84 VAL MG2 . 51379 1 680 . 1 . 1 61 61 VAL HG23 H 1 1.470 0.01 . 2 . . . . . 84 VAL MG2 . 51379 1 681 . 1 . 1 61 61 VAL C C 13 178.535 0.2 . 1 . . . . . 84 VAL C . 51379 1 682 . 1 . 1 61 61 VAL CA C 13 67.560 0.2 . 1 . . . . . 84 VAL CA . 51379 1 683 . 1 . 1 61 61 VAL CB C 13 32.324 0.2 . 1 . . . . . 84 VAL CB . 51379 1 684 . 1 . 1 61 61 VAL CG1 C 13 21.321 0.2 . 2 . . . . . 84 VAL CG1 . 51379 1 685 . 1 . 1 61 61 VAL CG2 C 13 25.619 0.2 . 2 . . . . . 84 VAL CG2 . 51379 1 686 . 1 . 1 61 61 VAL N N 15 119.801 0.2 . 1 . . . . . 84 VAL N . 51379 1 687 . 1 . 1 62 62 ASP H H 1 7.765 0.01 . 1 . . . . . 85 ASP H . 51379 1 688 . 1 . 1 62 62 ASP HA H 1 4.612 0.01 . 1 . . . . . 85 ASP HA . 51379 1 689 . 1 . 1 62 62 ASP HB2 H 1 2.970 0.01 . 2 . . . . . 85 ASP HB2 . 51379 1 690 . 1 . 1 62 62 ASP HB3 H 1 2.970 0.01 . 2 . . . . . 85 ASP HB3 . 51379 1 691 . 1 . 1 62 62 ASP C C 13 177.732 0.2 . 1 . . . . . 85 ASP C . 51379 1 692 . 1 . 1 62 62 ASP CA C 13 57.815 0.2 . 1 . . . . . 85 ASP CA . 51379 1 693 . 1 . 1 62 62 ASP CB C 13 42.377 0.2 . 1 . . . . . 85 ASP CB . 51379 1 694 . 1 . 1 62 62 ASP N N 15 121.061 0.2 . 1 . . . . . 85 ASP N . 51379 1 695 . 1 . 1 63 63 LEU H H 1 8.606 0.01 . 1 . . . . . 86 LEU H . 51379 1 696 . 1 . 1 63 63 LEU HA H 1 4.043 0.01 . 1 . . . . . 86 LEU HA . 51379 1 697 . 1 . 1 63 63 LEU HB2 H 1 1.280 0.01 . 2 . . . . . 86 LEU HB2 . 51379 1 698 . 1 . 1 63 63 LEU HB3 H 1 2.021 0.01 . 2 . . . . . 86 LEU HB3 . 51379 1 699 . 1 . 1 63 63 LEU HG H 1 1.869 0.01 . 1 . . . . . 86 LEU HG . 51379 1 700 . 1 . 1 63 63 LEU HD11 H 1 0.811 0.01 . 2 . . . . . 86 LEU MD1 . 51379 1 701 . 1 . 1 63 63 LEU HD12 H 1 0.811 0.01 . 2 . . . . . 86 LEU MD1 . 51379 1 702 . 1 . 1 63 63 LEU HD13 H 1 0.811 0.01 . 2 . . . . . 86 LEU MD1 . 51379 1 703 . 1 . 1 63 63 LEU HD21 H 1 0.680 0.01 . 2 . . . . . 86 LEU MD2 . 51379 1 704 . 1 . 1 63 63 LEU HD22 H 1 0.680 0.01 . 2 . . . . . 86 LEU MD2 . 51379 1 705 . 1 . 1 63 63 LEU HD23 H 1 0.680 0.01 . 2 . . . . . 86 LEU MD2 . 51379 1 706 . 1 . 1 63 63 LEU C C 13 179.226 0.2 . 1 . . . . . 86 LEU C . 51379 1 707 . 1 . 1 63 63 LEU CA C 13 58.248 0.2 . 1 . . . . . 86 LEU CA . 51379 1 708 . 1 . 1 63 63 LEU CB C 13 43.015 0.2 . 1 . . . . . 86 LEU CB . 51379 1 709 . 1 . 1 63 63 LEU CG C 13 26.669 0.2 . 1 . . . . . 86 LEU CG . 51379 1 710 . 1 . 1 63 63 LEU CD1 C 13 24.153 0.2 . 2 . . . . . 86 LEU CD1 . 51379 1 711 . 1 . 1 63 63 LEU CD2 C 13 25.846 0.2 . 2 . . . . . 86 LEU CD2 . 51379 1 712 . 1 . 1 63 63 LEU N N 15 118.405 0.2 . 1 . . . . . 86 LEU N . 51379 1 713 . 1 . 1 64 64 HIS H H 1 8.738 0.01 . 1 . . . . . 87 HIS H . 51379 1 714 . 1 . 1 64 64 HIS HA H 1 4.110 0.01 . 1 . . . . . 87 HIS HA . 51379 1 715 . 1 . 1 64 64 HIS HB2 H 1 3.438 0.01 . 2 . . . . . 87 HIS HB2 . 51379 1 716 . 1 . 1 64 64 HIS HB3 H 1 3.650 0.01 . 2 . . . . . 87 HIS HB3 . 51379 1 717 . 1 . 1 64 64 HIS HD1 H 1 8.731 0.01 . 1 . . . . . 87 HIS HD1 . 51379 1 718 . 1 . 1 64 64 HIS C C 13 177.329 0.2 . 1 . . . . . 87 HIS C . 51379 1 719 . 1 . 1 64 64 HIS CA C 13 61.205 0.2 . 1 . . . . . 87 HIS CA . 51379 1 720 . 1 . 1 64 64 HIS CB C 13 32.327 0.2 . 1 . . . . . 87 HIS CB . 51379 1 721 . 1 . 1 64 64 HIS N N 15 119.026 0.2 . 1 . . . . . 87 HIS N . 51379 1 722 . 1 . 1 65 65 ALA H H 1 8.904 0.01 . 1 . . . . . 88 ALA H . 51379 1 723 . 1 . 1 65 65 ALA HA H 1 4.124 0.01 . 1 . . . . . 88 ALA HA . 51379 1 724 . 1 . 1 65 65 ALA HB1 H 1 1.683 0.01 . 1 . . . . . 88 ALA MB . 51379 1 725 . 1 . 1 65 65 ALA HB2 H 1 1.683 0.01 . 1 . . . . . 88 ALA MB . 51379 1 726 . 1 . 1 65 65 ALA HB3 H 1 1.683 0.01 . 1 . . . . . 88 ALA MB . 51379 1 727 . 1 . 1 65 65 ALA CA C 13 55.288 0.2 . 1 . . . . . 88 ALA CA . 51379 1 728 . 1 . 1 65 65 ALA CB C 13 18.112 0.2 . 1 . . . . . 88 ALA CB . 51379 1 729 . 1 . 1 65 65 ALA N N 15 120.956 0.2 . 1 . . . . . 88 ALA N . 51379 1 730 . 1 . 1 66 66 ARG H H 1 8.055 0.01 . 1 . . . . . 89 ARG H . 51379 1 731 . 1 . 1 66 66 ARG HA H 1 4.146 0.01 . 1 . . . . . 89 ARG HA . 51379 1 732 . 1 . 1 66 66 ARG HB2 H 1 1.295 0.01 . 2 . . . . . 89 ARG HB2 . 51379 1 733 . 1 . 1 66 66 ARG HB3 H 1 1.644 0.01 . 2 . . . . . 89 ARG HB3 . 51379 1 734 . 1 . 1 66 66 ARG HD2 H 1 3.133 0.01 . 2 . . . . . 89 ARG HD2 . 51379 1 735 . 1 . 1 66 66 ARG HD3 H 1 3.133 0.01 . 2 . . . . . 89 ARG HD3 . 51379 1 736 . 1 . 1 66 66 ARG HE H 1 7.243 0.01 . 1 . . . . . 89 ARG HE . 51379 1 737 . 1 . 1 66 66 ARG C C 13 178.442 0.2 . 1 . . . . . 89 ARG C . 51379 1 738 . 1 . 1 66 66 ARG CA C 13 58.932 0.2 . 1 . . . . . 89 ARG CA . 51379 1 739 . 1 . 1 66 66 ARG CB C 13 31.164 0.2 . 1 . . . . . 89 ARG CB . 51379 1 740 . 1 . 1 66 66 ARG N N 15 115.053 0.2 . 1 . . . . . 89 ARG N . 51379 1 741 . 1 . 1 67 67 TYR H H 1 8.379 0.01 . 1 . . . . . 90 TYR H . 51379 1 742 . 1 . 1 67 67 TYR HA H 1 4.802 0.01 . 1 . . . . . 90 TYR HA . 51379 1 743 . 1 . 1 67 67 TYR HB2 H 1 2.984 0.01 . 2 . . . . . 90 TYR HB2 . 51379 1 744 . 1 . 1 67 67 TYR HB3 H 1 2.984 0.01 . 2 . . . . . 90 TYR HB3 . 51379 1 745 . 1 . 1 67 67 TYR HD1 H 1 7.262 0.01 . 3 . . . . . 90 TYR HD1 . 51379 1 746 . 1 . 1 67 67 TYR HD2 H 1 7.262 0.01 . 3 . . . . . 90 TYR HD2 . 51379 1 747 . 1 . 1 67 67 TYR HE1 H 1 6.828 0.01 . 3 . . . . . 90 TYR HE1 . 51379 1 748 . 1 . 1 67 67 TYR HE2 H 1 6.828 0.01 . 3 . . . . . 90 TYR HE2 . 51379 1 749 . 1 . 1 67 67 TYR C C 13 177.420 0.2 . 1 . . . . . 90 TYR C . 51379 1 750 . 1 . 1 67 67 TYR CA C 13 59.146 0.2 . 1 . . . . . 90 TYR CA . 51379 1 751 . 1 . 1 67 67 TYR CB C 13 40.766 0.2 . 1 . . . . . 90 TYR CB . 51379 1 752 . 1 . 1 67 67 TYR CD1 C 13 133.529 0.2 . 3 . . . . . 90 TYR CD1 . 51379 1 753 . 1 . 1 67 67 TYR CD2 C 13 133.529 0.2 . 3 . . . . . 90 TYR CD2 . 51379 1 754 . 1 . 1 67 67 TYR CE1 C 13 117.059 0.2 . 3 . . . . . 90 TYR CE1 . 51379 1 755 . 1 . 1 67 67 TYR CE2 C 13 117.059 0.2 . 3 . . . . . 90 TYR CE2 . 51379 1 756 . 1 . 1 67 67 TYR N N 15 113.908 0.2 . 1 . . . . . 90 TYR N . 51379 1 757 . 1 . 1 68 68 ALA H H 1 8.968 0.01 . 1 . . . . . 91 ALA H . 51379 1 758 . 1 . 1 68 68 ALA HA H 1 4.755 0.01 . 1 . . . . . 91 ALA HA . 51379 1 759 . 1 . 1 68 68 ALA HB1 H 1 1.188 0.01 . 1 . . . . . 91 ALA MB . 51379 1 760 . 1 . 1 68 68 ALA HB2 H 1 1.188 0.01 . 1 . . . . . 91 ALA MB . 51379 1 761 . 1 . 1 68 68 ALA HB3 H 1 1.188 0.01 . 1 . . . . . 91 ALA MB . 51379 1 762 . 1 . 1 68 68 ALA C C 13 182.747 0.2 . 1 . . . . . 91 ALA C . 51379 1 763 . 1 . 1 68 68 ALA CA C 13 56.570 0.2 . 1 . . . . . 91 ALA CA . 51379 1 764 . 1 . 1 68 68 ALA CB C 13 16.993 0.2 . 1 . . . . . 91 ALA CB . 51379 1 765 . 1 . 1 68 68 ALA N N 15 129.765 0.2 . 1 . . . . . 91 ALA N . 51379 1 766 . 1 . 1 69 69 GLU H H 1 8.856 0.01 . 1 . . . . . 92 GLU H . 51379 1 767 . 1 . 1 69 69 GLU HA H 1 4.162 0.01 . 1 . . . . . 92 GLU HA . 51379 1 768 . 1 . 1 69 69 GLU HB2 H 1 2.063 0.01 . 2 . . . . . 92 GLU HB2 . 51379 1 769 . 1 . 1 69 69 GLU HB3 H 1 2.063 0.01 . 2 . . . . . 92 GLU HB3 . 51379 1 770 . 1 . 1 69 69 GLU HG2 H 1 2.285 0.01 . 2 . . . . . 92 GLU HG2 . 51379 1 771 . 1 . 1 69 69 GLU HG3 H 1 2.285 0.01 . 2 . . . . . 92 GLU HG3 . 51379 1 772 . 1 . 1 69 69 GLU C C 13 177.559 0.2 . 1 . . . . . 92 GLU C . 51379 1 773 . 1 . 1 69 69 GLU CA C 13 58.893 0.2 . 1 . . . . . 92 GLU CA . 51379 1 774 . 1 . 1 69 69 GLU CB C 13 29.115 0.2 . 1 . . . . . 92 GLU CB . 51379 1 775 . 1 . 1 69 69 GLU CG C 13 36.451 0.2 . 1 . . . . . 92 GLU CG . 51379 1 776 . 1 . 1 69 69 GLU N N 15 117.348 0.2 . 1 . . . . . 92 GLU N . 51379 1 777 . 1 . 1 70 70 ARG H H 1 7.477 0.01 . 1 . . . . . 93 ARG H . 51379 1 778 . 1 . 1 70 70 ARG HA H 1 4.244 0.01 . 1 . . . . . 93 ARG HA . 51379 1 779 . 1 . 1 70 70 ARG HB2 H 1 1.430 0.01 . 2 . . . . . 93 ARG HB2 . 51379 1 780 . 1 . 1 70 70 ARG HB3 H 1 1.430 0.01 . 2 . . . . . 93 ARG HB3 . 51379 1 781 . 1 . 1 70 70 ARG HG2 H 1 1.435 0.01 . 2 . . . . . 93 ARG HG2 . 51379 1 782 . 1 . 1 70 70 ARG HG3 H 1 1.435 0.01 . 2 . . . . . 93 ARG HG3 . 51379 1 783 . 1 . 1 70 70 ARG HD2 H 1 2.990 0.01 . 2 . . . . . 93 ARG HD2 . 51379 1 784 . 1 . 1 70 70 ARG HD3 H 1 2.990 0.01 . 2 . . . . . 93 ARG HD3 . 51379 1 785 . 1 . 1 70 70 ARG C C 13 175.579 0.2 . 1 . . . . . 93 ARG C . 51379 1 786 . 1 . 1 70 70 ARG CA C 13 55.823 0.2 . 1 . . . . . 93 ARG CA . 51379 1 787 . 1 . 1 70 70 ARG CB C 13 30.470 0.2 . 1 . . . . . 93 ARG CB . 51379 1 788 . 1 . 1 70 70 ARG CG C 13 26.772 0.2 . 1 . . . . . 93 ARG CG . 51379 1 789 . 1 . 1 70 70 ARG CD C 13 43.382 0.2 . 1 . . . . . 93 ARG CD . 51379 1 790 . 1 . 1 70 70 ARG N N 15 118.153 0.2 . 1 . . . . . 93 ARG N . 51379 1 791 . 1 . 1 71 71 GLY H H 1 7.801 0.01 . 1 . . . . . 94 GLY H . 51379 1 792 . 1 . 1 71 71 GLY HA2 H 1 4.003 0.01 . 2 . . . . . 94 GLY HA2 . 51379 1 793 . 1 . 1 71 71 GLY HA3 H 1 5.061 0.01 . 2 . . . . . 94 GLY HA3 . 51379 1 794 . 1 . 1 71 71 GLY C C 13 172.994 0.2 . 1 . . . . . 94 GLY C . 51379 1 795 . 1 . 1 71 71 GLY CA C 13 45.768 0.2 . 1 . . . . . 94 GLY CA . 51379 1 796 . 1 . 1 71 71 GLY N N 15 104.641 0.2 . 1 . . . . . 94 GLY N . 51379 1 797 . 1 . 1 72 72 LEU H H 1 7.703 0.01 . 1 . . . . . 95 LEU H . 51379 1 798 . 1 . 1 72 72 LEU HA H 1 5.369 0.01 . 1 . . . . . 95 LEU HA . 51379 1 799 . 1 . 1 72 72 LEU HB2 H 1 1.439 0.01 . 2 . . . . . 95 LEU HB2 . 51379 1 800 . 1 . 1 72 72 LEU HB3 H 1 1.736 0.01 . 2 . . . . . 95 LEU HB3 . 51379 1 801 . 1 . 1 72 72 LEU HD11 H 1 0.904 0.01 . 2 . . . . . 95 LEU MD1 . 51379 1 802 . 1 . 1 72 72 LEU HD12 H 1 0.904 0.01 . 2 . . . . . 95 LEU MD1 . 51379 1 803 . 1 . 1 72 72 LEU HD13 H 1 0.904 0.01 . 2 . . . . . 95 LEU MD1 . 51379 1 804 . 1 . 1 72 72 LEU HD21 H 1 0.955 0.01 . 2 . . . . . 95 LEU MD2 . 51379 1 805 . 1 . 1 72 72 LEU HD22 H 1 0.955 0.01 . 2 . . . . . 95 LEU MD2 . 51379 1 806 . 1 . 1 72 72 LEU HD23 H 1 0.955 0.01 . 2 . . . . . 95 LEU MD2 . 51379 1 807 . 1 . 1 72 72 LEU C C 13 176.766 0.2 . 1 . . . . . 95 LEU C . 51379 1 808 . 1 . 1 72 72 LEU CA C 13 55.411 0.2 . 1 . . . . . 95 LEU CA . 51379 1 809 . 1 . 1 72 72 LEU CB C 13 44.993 0.2 . 1 . . . . . 95 LEU CB . 51379 1 810 . 1 . 1 72 72 LEU CG C 13 27.486 0.2 . 1 . . . . . 95 LEU CG . 51379 1 811 . 1 . 1 72 72 LEU CD1 C 13 27.748 0.2 . 2 . . . . . 95 LEU CD1 . 51379 1 812 . 1 . 1 72 72 LEU CD2 C 13 23.703 0.2 . 2 . . . . . 95 LEU CD2 . 51379 1 813 . 1 . 1 72 72 LEU N N 15 121.288 0.2 . 1 . . . . . 95 LEU N . 51379 1 814 . 1 . 1 73 73 ARG H H 1 9.669 0.01 . 1 . . . . . 96 ARG H . 51379 1 815 . 1 . 1 73 73 ARG HA H 1 4.953 0.01 . 1 . . . . . 96 ARG HA . 51379 1 816 . 1 . 1 73 73 ARG HB2 H 1 1.929 0.01 . 2 . . . . . 96 ARG HB2 . 51379 1 817 . 1 . 1 73 73 ARG HB3 H 1 2.033 0.01 . 2 . . . . . 96 ARG HB3 . 51379 1 818 . 1 . 1 73 73 ARG HG2 H 1 1.407 0.01 . 2 . . . . . 96 ARG HG2 . 51379 1 819 . 1 . 1 73 73 ARG HG3 H 1 1.633 0.01 . 2 . . . . . 96 ARG HG3 . 51379 1 820 . 1 . 1 73 73 ARG HD2 H 1 2.194 0.01 . 2 . . . . . 96 ARG HD2 . 51379 1 821 . 1 . 1 73 73 ARG HD3 H 1 3.370 0.01 . 2 . . . . . 96 ARG HD3 . 51379 1 822 . 1 . 1 73 73 ARG HE H 1 7.219 0.01 . 1 . . . . . 96 ARG HE . 51379 1 823 . 1 . 1 73 73 ARG C C 13 174.676 0.2 . 1 . . . . . 96 ARG C . 51379 1 824 . 1 . 1 73 73 ARG CA C 13 52.795 0.2 . 1 . . . . . 96 ARG CA . 51379 1 825 . 1 . 1 73 73 ARG CB C 13 32.280 0.2 . 1 . . . . . 96 ARG CB . 51379 1 826 . 1 . 1 73 73 ARG CD C 13 50.287 0.2 . 1 . . . . . 96 ARG CD . 51379 1 827 . 1 . 1 73 73 ARG N N 15 128.430 0.2 . 1 . . . . . 96 ARG N . 51379 1 828 . 1 . 1 74 74 ILE H H 1 8.447 0.01 . 1 . . . . . 97 ILE H . 51379 1 829 . 1 . 1 74 74 ILE HA H 1 4.889 0.01 . 1 . . . . . 97 ILE HA . 51379 1 830 . 1 . 1 74 74 ILE HB H 1 0.969 0.01 . 1 . . . . . 97 ILE HB . 51379 1 831 . 1 . 1 74 74 ILE HG12 H 1 0.821 0.01 . 2 . . . . . 97 ILE HG12 . 51379 1 832 . 1 . 1 74 74 ILE HG13 H 1 1.326 0.01 . 2 . . . . . 97 ILE HG13 . 51379 1 833 . 1 . 1 74 74 ILE HG21 H 1 0.621 0.01 . 1 . . . . . 97 ILE MG . 51379 1 834 . 1 . 1 74 74 ILE HG22 H 1 0.621 0.01 . 1 . . . . . 97 ILE MG . 51379 1 835 . 1 . 1 74 74 ILE HG23 H 1 0.621 0.01 . 1 . . . . . 97 ILE MG . 51379 1 836 . 1 . 1 74 74 ILE HD11 H 1 -0.001 0.01 . 1 . . . . . 97 ILE MD . 51379 1 837 . 1 . 1 74 74 ILE HD12 H 1 -0.001 0.01 . 1 . . . . . 97 ILE MD . 51379 1 838 . 1 . 1 74 74 ILE HD13 H 1 -0.001 0.01 . 1 . . . . . 97 ILE MD . 51379 1 839 . 1 . 1 74 74 ILE C C 13 172.616 0.2 . 1 . . . . . 97 ILE C . 51379 1 840 . 1 . 1 74 74 ILE CA C 13 60.412 0.2 . 1 . . . . . 97 ILE CA . 51379 1 841 . 1 . 1 74 74 ILE CB C 13 40.631 0.2 . 1 . . . . . 97 ILE CB . 51379 1 842 . 1 . 1 74 74 ILE CG1 C 13 27.921 0.2 . 1 . . . . . 97 ILE CG1 . 51379 1 843 . 1 . 1 74 74 ILE CG2 C 13 15.724 0.2 . 1 . . . . . 97 ILE CG2 . 51379 1 844 . 1 . 1 74 74 ILE CD1 C 13 16.320 0.2 . 1 . . . . . 97 ILE CD1 . 51379 1 845 . 1 . 1 74 74 ILE N N 15 119.696 0.2 . 1 . . . . . 97 ILE N . 51379 1 846 . 1 . 1 75 75 LEU H H 1 9.184 0.01 . 1 . . . . . 98 LEU H . 51379 1 847 . 1 . 1 75 75 LEU HA H 1 5.156 0.01 . 1 . . . . . 98 LEU HA . 51379 1 848 . 1 . 1 75 75 LEU HB2 H 1 1.455 0.01 . 2 . . . . . 98 LEU HB2 . 51379 1 849 . 1 . 1 75 75 LEU HB3 H 1 1.718 0.01 . 2 . . . . . 98 LEU HB3 . 51379 1 850 . 1 . 1 75 75 LEU HG H 1 1.705 0.01 . 1 . . . . . 98 LEU HG . 51379 1 851 . 1 . 1 75 75 LEU HD11 H 1 0.214 0.01 . 2 . . . . . 98 LEU MD1 . 51379 1 852 . 1 . 1 75 75 LEU HD12 H 1 0.214 0.01 . 2 . . . . . 98 LEU MD1 . 51379 1 853 . 1 . 1 75 75 LEU HD13 H 1 0.214 0.01 . 2 . . . . . 98 LEU MD1 . 51379 1 854 . 1 . 1 75 75 LEU HD21 H 1 0.397 0.01 . 2 . . . . . 98 LEU MD2 . 51379 1 855 . 1 . 1 75 75 LEU HD22 H 1 0.397 0.01 . 2 . . . . . 98 LEU MD2 . 51379 1 856 . 1 . 1 75 75 LEU HD23 H 1 0.397 0.01 . 2 . . . . . 98 LEU MD2 . 51379 1 857 . 1 . 1 75 75 LEU C C 13 174.045 0.2 . 1 . . . . . 98 LEU C . 51379 1 858 . 1 . 1 75 75 LEU CA C 13 55.691 0.2 . 1 . . . . . 98 LEU CA . 51379 1 859 . 1 . 1 75 75 LEU CB C 13 43.999 0.2 . 1 . . . . . 98 LEU CB . 51379 1 860 . 1 . 1 75 75 LEU CG C 13 29.743 0.2 . 1 . . . . . 98 LEU CG . 51379 1 861 . 1 . 1 75 75 LEU CD1 C 13 24.090 0.2 . 2 . . . . . 98 LEU CD1 . 51379 1 862 . 1 . 1 75 75 LEU CD2 C 13 28.012 0.2 . 2 . . . . . 98 LEU CD2 . 51379 1 863 . 1 . 1 75 75 LEU N N 15 128.744 0.2 . 1 . . . . . 98 LEU N . 51379 1 864 . 1 . 1 76 76 ALA H H 1 8.953 0.01 . 1 . . . . . 99 ALA H . 51379 1 865 . 1 . 1 76 76 ALA HA H 1 5.256 0.01 . 1 . . . . . 99 ALA HA . 51379 1 866 . 1 . 1 76 76 ALA HB1 H 1 1.618 0.01 . 1 . . . . . 99 ALA MB . 51379 1 867 . 1 . 1 76 76 ALA HB2 H 1 1.618 0.01 . 1 . . . . . 99 ALA MB . 51379 1 868 . 1 . 1 76 76 ALA HB3 H 1 1.618 0.01 . 1 . . . . . 99 ALA MB . 51379 1 869 . 1 . 1 76 76 ALA C C 13 175.107 0.2 . 1 . . . . . 99 ALA C . 51379 1 870 . 1 . 1 76 76 ALA CA C 13 50.073 0.2 . 1 . . . . . 99 ALA CA . 51379 1 871 . 1 . 1 76 76 ALA CB C 13 22.301 0.2 . 1 . . . . . 99 ALA CB . 51379 1 872 . 1 . 1 76 76 ALA N N 15 125.125 0.2 . 1 . . . . . 99 ALA N . 51379 1 873 . 1 . 1 77 77 PHE H H 1 9.494 0.01 . 1 . . . . . 100 PHE H . 51379 1 874 . 1 . 1 77 77 PHE HA H 1 4.682 0.01 . 1 . . . . . 100 PHE HA . 51379 1 875 . 1 . 1 77 77 PHE HB2 H 1 1.930 0.01 . 2 . . . . . 100 PHE HB2 . 51379 1 876 . 1 . 1 77 77 PHE HB3 H 1 1.930 0.01 . 2 . . . . . 100 PHE HB3 . 51379 1 877 . 1 . 1 77 77 PHE HD1 H 1 5.920 0.01 . 3 . . . . . 100 PHE HD1 . 51379 1 878 . 1 . 1 77 77 PHE HD2 H 1 5.920 0.01 . 3 . . . . . 100 PHE HD2 . 51379 1 879 . 1 . 1 77 77 PHE HE1 H 1 6.731 0.01 . 3 . . . . . 100 PHE HE1 . 51379 1 880 . 1 . 1 77 77 PHE HE2 H 1 6.731 0.01 . 3 . . . . . 100 PHE HE2 . 51379 1 881 . 1 . 1 77 77 PHE C C 13 175.102 0.2 . 1 . . . . . 100 PHE C . 51379 1 882 . 1 . 1 77 77 PHE CA C 13 54.523 0.2 . 1 . . . . . 100 PHE CA . 51379 1 883 . 1 . 1 77 77 PHE CB C 13 40.110 0.2 . 1 . . . . . 100 PHE CB . 51379 1 884 . 1 . 1 77 77 PHE CD1 C 13 128.450 0.2 . 3 . . . . . 100 PHE CD1 . 51379 1 885 . 1 . 1 77 77 PHE CD2 C 13 128.450 0.2 . 3 . . . . . 100 PHE CD2 . 51379 1 886 . 1 . 1 77 77 PHE CE1 C 13 131.758 0.2 . 3 . . . . . 100 PHE CE1 . 51379 1 887 . 1 . 1 77 77 PHE CE2 C 13 131.758 0.2 . 3 . . . . . 100 PHE CE2 . 51379 1 888 . 1 . 1 77 77 PHE N N 15 122.905 0.2 . 1 . . . . . 100 PHE N . 51379 1 889 . 1 . 1 78 78 PRO HA H 1 4.617 0.01 . 1 . . . . . 101 PRO HA . 51379 1 890 . 1 . 1 78 78 PRO HB2 H 1 1.430 0.01 . 2 . . . . . 101 PRO HB2 . 51379 1 891 . 1 . 1 78 78 PRO HB3 H 1 3.478 0.01 . 2 . . . . . 101 PRO HB3 . 51379 1 892 . 1 . 1 78 78 PRO HG2 H 1 1.649 0.01 . 2 . . . . . 101 PRO HG2 . 51379 1 893 . 1 . 1 78 78 PRO HG3 H 1 2.210 0.01 . 2 . . . . . 101 PRO HG3 . 51379 1 894 . 1 . 1 78 78 PRO C C 13 175.899 0.2 . 1 . . . . . 101 PRO C . 51379 1 895 . 1 . 1 78 78 PRO CA C 13 62.407 0.2 . 1 . . . . . 101 PRO CA . 51379 1 896 . 1 . 1 78 78 PRO CB C 13 31.986 0.2 . 1 . . . . . 101 PRO CB . 51379 1 897 . 1 . 1 78 78 PRO CG C 13 28.904 0.2 . 1 . . . . . 101 PRO CG . 51379 1 898 . 1 . 1 79 79 SER H H 1 7.997 0.01 . 1 . . . . . 102 SER H . 51379 1 899 . 1 . 1 79 79 SER HA H 1 4.806 0.01 . 1 . . . . . 102 SER HA . 51379 1 900 . 1 . 1 79 79 SER HB2 H 1 3.612 0.01 . 2 . . . . . 102 SER HB2 . 51379 1 901 . 1 . 1 79 79 SER HB3 H 1 3.731 0.01 . 2 . . . . . 102 SER HB3 . 51379 1 902 . 1 . 1 79 79 SER C C 13 173.576 0.2 . 1 . . . . . 102 SER C . 51379 1 903 . 1 . 1 79 79 SER CA C 13 59.143 0.2 . 1 . . . . . 102 SER CA . 51379 1 904 . 1 . 1 79 79 SER CB C 13 65.815 0.2 . 1 . . . . . 102 SER CB . 51379 1 905 . 1 . 1 79 79 SER N N 15 112.823 0.2 . 1 . . . . . 102 SER N . 51379 1 906 . 1 . 1 80 80 ASN H H 1 9.596 0.01 . 1 . . . . . 103 ASN H . 51379 1 907 . 1 . 1 80 80 ASN HA H 1 4.949 0.01 . 1 . . . . . 103 ASN HA . 51379 1 908 . 1 . 1 80 80 ASN HB2 H 1 2.309 0.01 . 2 . . . . . 103 ASN HB2 . 51379 1 909 . 1 . 1 80 80 ASN HB3 H 1 2.620 0.01 . 2 . . . . . 103 ASN HB3 . 51379 1 910 . 1 . 1 80 80 ASN C C 13 176.164 0.2 . 1 . . . . . 103 ASN C . 51379 1 911 . 1 . 1 80 80 ASN CA C 13 52.003 0.2 . 1 . . . . . 103 ASN CA . 51379 1 912 . 1 . 1 80 80 ASN CB C 13 40.370 0.2 . 1 . . . . . 103 ASN CB . 51379 1 913 . 1 . 1 80 80 ASN N N 15 126.478 0.2 . 1 . . . . . 103 ASN N . 51379 1 914 . 1 . 1 81 81 GLN H H 1 6.603 0.01 . 1 . . . . . 104 GLN H . 51379 1 915 . 1 . 1 81 81 GLN HA H 1 3.710 0.01 . 1 . . . . . 104 GLN HA . 51379 1 916 . 1 . 1 81 81 GLN HB2 H 1 1.002 0.01 . 2 . . . . . 104 GLN HB2 . 51379 1 917 . 1 . 1 81 81 GLN HB3 H 1 1.192 0.01 . 2 . . . . . 104 GLN HB3 . 51379 1 918 . 1 . 1 81 81 GLN HG2 H 1 2.020 0.01 . 2 . . . . . 104 GLN HG2 . 51379 1 919 . 1 . 1 81 81 GLN HG3 H 1 2.136 0.01 . 2 . . . . . 104 GLN HG3 . 51379 1 920 . 1 . 1 81 81 GLN HE21 H 1 7.521 0.01 . 2 . . . . . 104 GLN HE21 . 51379 1 921 . 1 . 1 81 81 GLN HE22 H 1 7.521 0.01 . 2 . . . . . 104 GLN HE22 . 51379 1 922 . 1 . 1 81 81 GLN C C 13 174.016 0.2 . 1 . . . . . 104 GLN C . 51379 1 923 . 1 . 1 81 81 GLN CA C 13 57.899 0.2 . 1 . . . . . 104 GLN CA . 51379 1 924 . 1 . 1 81 81 GLN CB C 13 30.221 0.2 . 1 . . . . . 104 GLN CB . 51379 1 925 . 1 . 1 81 81 GLN CG C 13 36.688 0.2 . 1 . . . . . 104 GLN CG . 51379 1 926 . 1 . 1 81 81 GLN N N 15 114.746 0.2 . 1 . . . . . 104 GLN N . 51379 1 927 . 1 . 1 81 81 GLN NE2 N 15 110.958 0.2 . 1 . . . . . 104 GLN NE2 . 51379 1 928 . 1 . 1 82 82 PHE H H 1 8.107 0.01 . 1 . . . . . 105 PHE H . 51379 1 929 . 1 . 1 82 82 PHE HA H 1 4.188 0.01 . 1 . . . . . 105 PHE HA . 51379 1 930 . 1 . 1 82 82 PHE HB2 H 1 0.538 0.01 . 2 . . . . . 105 PHE HB2 . 51379 1 931 . 1 . 1 82 82 PHE HB3 H 1 2.005 0.01 . 2 . . . . . 105 PHE HB3 . 51379 1 932 . 1 . 1 82 82 PHE HD1 H 1 6.570 0.01 . 3 . . . . . 105 PHE HD1 . 51379 1 933 . 1 . 1 82 82 PHE HD2 H 1 6.570 0.01 . 3 . . . . . 105 PHE HD2 . 51379 1 934 . 1 . 1 82 82 PHE HE1 H 1 6.764 0.01 . 3 . . . . . 105 PHE HE1 . 51379 1 935 . 1 . 1 82 82 PHE HE2 H 1 6.764 0.01 . 3 . . . . . 105 PHE HE2 . 51379 1 936 . 1 . 1 82 82 PHE C C 13 173.279 0.2 . 1 . . . . . 105 PHE C . 51379 1 937 . 1 . 1 82 82 PHE CA C 13 56.196 0.2 . 1 . . . . . 105 PHE CA . 51379 1 938 . 1 . 1 82 82 PHE CB C 13 34.533 0.2 . 1 . . . . . 105 PHE CB . 51379 1 939 . 1 . 1 82 82 PHE CD1 C 13 128.259 0.2 . 3 . . . . . 105 PHE CD1 . 51379 1 940 . 1 . 1 82 82 PHE CD2 C 13 128.259 0.2 . 3 . . . . . 105 PHE CD2 . 51379 1 941 . 1 . 1 82 82 PHE CE1 C 13 130.258 0.2 . 3 . . . . . 105 PHE CE1 . 51379 1 942 . 1 . 1 82 82 PHE CE2 C 13 130.258 0.2 . 3 . . . . . 105 PHE CE2 . 51379 1 943 . 1 . 1 82 82 PHE N N 15 120.645 0.2 . 1 . . . . . 105 PHE N . 51379 1 944 . 1 . 1 83 83 GLY H H 1 8.539 0.01 . 1 . . . . . 106 GLY H . 51379 1 945 . 1 . 1 83 83 GLY HA2 H 1 3.853 0.01 . 2 . . . . . 106 GLY HA2 . 51379 1 946 . 1 . 1 83 83 GLY HA3 H 1 3.853 0.01 . 2 . . . . . 106 GLY HA3 . 51379 1 947 . 1 . 1 83 83 GLY C C 13 174.444 0.2 . 1 . . . . . 106 GLY C . 51379 1 948 . 1 . 1 83 83 GLY CA C 13 45.914 0.2 . 1 . . . . . 106 GLY CA . 51379 1 949 . 1 . 1 83 83 GLY N N 15 110.669 0.2 . 1 . . . . . 106 GLY N . 51379 1 950 . 1 . 1 84 84 LYS H H 1 7.270 0.01 . 1 . . . . . 107 LYS H . 51379 1 951 . 1 . 1 84 84 LYS HA H 1 3.950 0.01 . 1 . . . . . 107 LYS HA . 51379 1 952 . 1 . 1 84 84 LYS HB2 H 1 1.966 0.01 . 2 . . . . . 107 LYS HB2 . 51379 1 953 . 1 . 1 84 84 LYS HB3 H 1 1.966 0.01 . 2 . . . . . 107 LYS HB3 . 51379 1 954 . 1 . 1 84 84 LYS HG2 H 1 1.313 0.01 . 2 . . . . . 107 LYS HG2 . 51379 1 955 . 1 . 1 84 84 LYS HG3 H 1 1.341 0.01 . 2 . . . . . 107 LYS HG3 . 51379 1 956 . 1 . 1 84 84 LYS HD2 H 1 1.818 0.01 . 2 . . . . . 107 LYS HD2 . 51379 1 957 . 1 . 1 84 84 LYS HD3 H 1 1.818 0.01 . 2 . . . . . 107 LYS HD3 . 51379 1 958 . 1 . 1 84 84 LYS HE2 H 1 2.969 0.01 . 2 . . . . . 107 LYS HE2 . 51379 1 959 . 1 . 1 84 84 LYS HE3 H 1 2.969 0.01 . 2 . . . . . 107 LYS HE3 . 51379 1 960 . 1 . 1 84 84 LYS C C 13 176.989 0.2 . 1 . . . . . 107 LYS C . 51379 1 961 . 1 . 1 84 84 LYS CA C 13 57.277 0.2 . 1 . . . . . 107 LYS CA . 51379 1 962 . 1 . 1 84 84 LYS CB C 13 29.742 0.2 . 1 . . . . . 107 LYS CB . 51379 1 963 . 1 . 1 84 84 LYS CG C 13 25.311 0.2 . 1 . . . . . 107 LYS CG . 51379 1 964 . 1 . 1 84 84 LYS CD C 13 29.632 0.2 . 1 . . . . . 107 LYS CD . 51379 1 965 . 1 . 1 84 84 LYS CE C 13 42.309 0.2 . 1 . . . . . 107 LYS CE . 51379 1 966 . 1 . 1 84 84 LYS N N 15 113.215 0.2 . 1 . . . . . 107 LYS N . 51379 1 967 . 1 . 1 85 85 GLN H H 1 6.284 0.01 . 1 . . . . . 108 GLN H . 51379 1 968 . 1 . 1 85 85 GLN HA H 1 4.249 0.01 . 1 . . . . . 108 GLN HA . 51379 1 969 . 1 . 1 85 85 GLN HB2 H 1 1.674 0.01 . 2 . . . . . 108 GLN HB2 . 51379 1 970 . 1 . 1 85 85 GLN HB3 H 1 2.534 0.01 . 2 . . . . . 108 GLN HB3 . 51379 1 971 . 1 . 1 85 85 GLN HG2 H 1 2.128 0.01 . 2 . . . . . 108 GLN HG2 . 51379 1 972 . 1 . 1 85 85 GLN HG3 H 1 2.182 0.01 . 2 . . . . . 108 GLN HG3 . 51379 1 973 . 1 . 1 85 85 GLN C C 13 174.302 0.2 . 1 . . . . . 108 GLN C . 51379 1 974 . 1 . 1 85 85 GLN CA C 13 55.948 0.2 . 1 . . . . . 108 GLN CA . 51379 1 975 . 1 . 1 85 85 GLN CB C 13 27.385 0.2 . 1 . . . . . 108 GLN CB . 51379 1 976 . 1 . 1 85 85 GLN CG C 13 33.432 0.2 . 1 . . . . . 108 GLN CG . 51379 1 977 . 1 . 1 85 85 GLN N N 15 113.715 0.2 . 1 . . . . . 108 GLN N . 51379 1 978 . 1 . 1 86 86 GLU H H 1 9.095 0.01 . 1 . . . . . 109 GLU H . 51379 1 979 . 1 . 1 86 86 GLU HA H 1 5.660 0.01 . 1 . . . . . 109 GLU HA . 51379 1 980 . 1 . 1 86 86 GLU HB2 H 1 1.504 0.01 . 2 . . . . . 109 GLU HB2 . 51379 1 981 . 1 . 1 86 86 GLU HB3 H 1 1.787 0.01 . 2 . . . . . 109 GLU HB3 . 51379 1 982 . 1 . 1 86 86 GLU HG2 H 1 2.027 0.01 . 2 . . . . . 109 GLU HG2 . 51379 1 983 . 1 . 1 86 86 GLU HG3 H 1 2.108 0.01 . 2 . . . . . 109 GLU HG3 . 51379 1 984 . 1 . 1 86 86 GLU C C 13 172.316 0.2 . 1 . . . . . 109 GLU C . 51379 1 985 . 1 . 1 86 86 GLU CA C 13 52.540 0.2 . 1 . . . . . 109 GLU CA . 51379 1 986 . 1 . 1 86 86 GLU CB C 13 32.772 0.2 . 1 . . . . . 109 GLU CB . 51379 1 987 . 1 . 1 86 86 GLU CG C 13 37.572 0.2 . 1 . . . . . 109 GLU CG . 51379 1 988 . 1 . 1 86 86 GLU N N 15 122.208 0.2 . 1 . . . . . 109 GLU N . 51379 1 989 . 1 . 1 87 87 PRO HA H 1 4.132 0.01 . 1 . . . . . 110 PRO HA . 51379 1 990 . 1 . 1 87 87 PRO HB2 H 1 2.109 0.01 . 2 . . . . . 110 PRO HB2 . 51379 1 991 . 1 . 1 87 87 PRO HG2 H 1 2.032 0.01 . 2 . . . . . 110 PRO HG2 . 51379 1 992 . 1 . 1 87 87 PRO HG3 H 1 2.032 0.01 . 2 . . . . . 110 PRO HG3 . 51379 1 993 . 1 . 1 87 87 PRO HD2 H 1 3.602 0.01 . 2 . . . . . 110 PRO HD2 . 51379 1 994 . 1 . 1 87 87 PRO HD3 H 1 3.602 0.01 . 2 . . . . . 110 PRO HD3 . 51379 1 995 . 1 . 1 87 87 PRO C C 13 178.163 0.2 . 1 . . . . . 110 PRO C . 51379 1 996 . 1 . 1 87 87 PRO CA C 13 64.238 0.2 . 1 . . . . . 110 PRO CA . 51379 1 997 . 1 . 1 87 87 PRO CB C 13 32.274 0.2 . 1 . . . . . 110 PRO CB . 51379 1 998 . 1 . 1 87 87 PRO CG C 13 27.122 0.2 . 1 . . . . . 110 PRO CG . 51379 1 999 . 1 . 1 87 87 PRO CD C 13 49.634 0.2 . 1 . . . . . 110 PRO CD . 51379 1 1000 . 1 . 1 88 88 GLY H H 1 9.181 0.01 . 1 . . . . . 111 GLY H . 51379 1 1001 . 1 . 1 88 88 GLY HA2 H 1 3.576 0.01 . 2 . . . . . 111 GLY HA2 . 51379 1 1002 . 1 . 1 88 88 GLY HA3 H 1 4.147 0.01 . 2 . . . . . 111 GLY HA3 . 51379 1 1003 . 1 . 1 88 88 GLY C C 13 173.199 0.2 . 1 . . . . . 111 GLY C . 51379 1 1004 . 1 . 1 88 88 GLY CA C 13 44.932 0.2 . 1 . . . . . 111 GLY CA . 51379 1 1005 . 1 . 1 88 88 GLY N N 15 111.138 0.2 . 1 . . . . . 111 GLY N . 51379 1 1006 . 1 . 1 89 89 SER H H 1 8.709 0.01 . 1 . . . . . 112 SER H . 51379 1 1007 . 1 . 1 89 89 SER HA H 1 4.512 0.01 . 1 . . . . . 112 SER HA . 51379 1 1008 . 1 . 1 89 89 SER HB2 H 1 4.066 0.01 . 2 . . . . . 112 SER HB2 . 51379 1 1009 . 1 . 1 89 89 SER HB3 H 1 4.445 0.01 . 2 . . . . . 112 SER HB3 . 51379 1 1010 . 1 . 1 89 89 SER C C 13 174.964 0.2 . 1 . . . . . 112 SER C . 51379 1 1011 . 1 . 1 89 89 SER CA C 13 57.193 0.2 . 1 . . . . . 112 SER CA . 51379 1 1012 . 1 . 1 89 89 SER CB C 13 65.455 0.2 . 1 . . . . . 112 SER CB . 51379 1 1013 . 1 . 1 89 89 SER N N 15 115.755 0.2 . 1 . . . . . 112 SER N . 51379 1 1014 . 1 . 1 90 90 ASN H H 1 8.888 0.01 . 1 . . . . . 113 ASN H . 51379 1 1015 . 1 . 1 90 90 ASN HA H 1 4.487 0.01 . 1 . . . . . 113 ASN HA . 51379 1 1016 . 1 . 1 90 90 ASN HB2 H 1 2.767 0.01 . 2 . . . . . 113 ASN HB2 . 51379 1 1017 . 1 . 1 90 90 ASN HB3 H 1 3.017 0.01 . 2 . . . . . 113 ASN HB3 . 51379 1 1018 . 1 . 1 90 90 ASN HD21 H 1 8.678 0.01 . 2 . . . . . 113 ASN HD21 . 51379 1 1019 . 1 . 1 90 90 ASN HD22 H 1 8.678 0.01 . 2 . . . . . 113 ASN HD22 . 51379 1 1020 . 1 . 1 90 90 ASN C C 13 177.019 0.2 . 1 . . . . . 113 ASN C . 51379 1 1021 . 1 . 1 90 90 ASN CA C 13 57.248 0.2 . 1 . . . . . 113 ASN CA . 51379 1 1022 . 1 . 1 90 90 ASN CB C 13 37.887 0.2 . 1 . . . . . 113 ASN CB . 51379 1 1023 . 1 . 1 90 90 ASN N N 15 119.372 0.2 . 1 . . . . . 113 ASN N . 51379 1 1024 . 1 . 1 91 91 GLU H H 1 8.677 0.01 . 1 . . . . . 114 GLU H . 51379 1 1025 . 1 . 1 91 91 GLU HA H 1 3.969 0.01 . 1 . . . . . 114 GLU HA . 51379 1 1026 . 1 . 1 91 91 GLU HB2 H 1 1.960 0.01 . 2 . . . . . 114 GLU HB2 . 51379 1 1027 . 1 . 1 91 91 GLU HB3 H 1 1.960 0.01 . 2 . . . . . 114 GLU HB3 . 51379 1 1028 . 1 . 1 91 91 GLU HG2 H 1 2.333 0.01 . 2 . . . . . 114 GLU HG2 . 51379 1 1029 . 1 . 1 91 91 GLU HG3 H 1 2.446 0.01 . 2 . . . . . 114 GLU HG3 . 51379 1 1030 . 1 . 1 91 91 GLU C C 13 179.666 0.2 . 1 . . . . . 114 GLU C . 51379 1 1031 . 1 . 1 91 91 GLU CA C 13 60.635 0.2 . 1 . . . . . 114 GLU CA . 51379 1 1032 . 1 . 1 91 91 GLU CB C 13 29.020 0.2 . 1 . . . . . 114 GLU CB . 51379 1 1033 . 1 . 1 91 91 GLU CG C 13 36.987 0.2 . 1 . . . . . 114 GLU CG . 51379 1 1034 . 1 . 1 91 91 GLU N N 15 118.589 0.2 . 1 . . . . . 114 GLU N . 51379 1 1035 . 1 . 1 92 92 GLU H H 1 7.740 0.01 . 1 . . . . . 115 GLU H . 51379 1 1036 . 1 . 1 92 92 GLU HA H 1 4.056 0.01 . 1 . . . . . 115 GLU HA . 51379 1 1037 . 1 . 1 92 92 GLU HB2 H 1 2.324 0.01 . 2 . . . . . 115 GLU HB2 . 51379 1 1038 . 1 . 1 92 92 GLU HB3 H 1 2.324 0.01 . 2 . . . . . 115 GLU HB3 . 51379 1 1039 . 1 . 1 92 92 GLU HG2 H 1 2.330 0.01 . 2 . . . . . 115 GLU HG2 . 51379 1 1040 . 1 . 1 92 92 GLU HG3 H 1 2.451 0.01 . 2 . . . . . 115 GLU HG3 . 51379 1 1041 . 1 . 1 92 92 GLU C C 13 179.842 0.2 . 1 . . . . . 115 GLU C . 51379 1 1042 . 1 . 1 92 92 GLU CA C 13 59.330 0.2 . 1 . . . . . 115 GLU CA . 51379 1 1043 . 1 . 1 92 92 GLU CB C 13 29.370 0.2 . 1 . . . . . 115 GLU CB . 51379 1 1044 . 1 . 1 92 92 GLU CG C 13 36.905 0.2 . 1 . . . . . 115 GLU CG . 51379 1 1045 . 1 . 1 92 92 GLU N N 15 121.946 0.2 . 1 . . . . . 115 GLU N . 51379 1 1046 . 1 . 1 93 93 ILE H H 1 8.600 0.01 . 1 . . . . . 116 ILE H . 51379 1 1047 . 1 . 1 93 93 ILE HA H 1 3.741 0.01 . 1 . . . . . 116 ILE HA . 51379 1 1048 . 1 . 1 93 93 ILE HB H 1 1.805 0.01 . 1 . . . . . 116 ILE HB . 51379 1 1049 . 1 . 1 93 93 ILE HG12 H 1 1.628 0.01 . 2 . . . . . 116 ILE HG12 . 51379 1 1050 . 1 . 1 93 93 ILE HG13 H 1 1.628 0.01 . 2 . . . . . 116 ILE HG13 . 51379 1 1051 . 1 . 1 93 93 ILE HG21 H 1 0.802 0.01 . 1 . . . . . 116 ILE MG . 51379 1 1052 . 1 . 1 93 93 ILE HG22 H 1 0.802 0.01 . 1 . . . . . 116 ILE MG . 51379 1 1053 . 1 . 1 93 93 ILE HG23 H 1 0.802 0.01 . 1 . . . . . 116 ILE MG . 51379 1 1054 . 1 . 1 93 93 ILE HD11 H 1 0.650 0.01 . 1 . . . . . 116 ILE MD . 51379 1 1055 . 1 . 1 93 93 ILE HD12 H 1 0.650 0.01 . 1 . . . . . 116 ILE MD . 51379 1 1056 . 1 . 1 93 93 ILE HD13 H 1 0.650 0.01 . 1 . . . . . 116 ILE MD . 51379 1 1057 . 1 . 1 93 93 ILE C C 13 177.581 0.2 . 1 . . . . . 116 ILE C . 51379 1 1058 . 1 . 1 93 93 ILE CA C 13 65.257 0.2 . 1 . . . . . 116 ILE CA . 51379 1 1059 . 1 . 1 93 93 ILE CB C 13 38.657 0.2 . 1 . . . . . 116 ILE CB . 51379 1 1060 . 1 . 1 93 93 ILE CG1 C 13 29.482 0.2 . 1 . . . . . 116 ILE CG1 . 51379 1 1061 . 1 . 1 93 93 ILE CG2 C 13 17.347 0.2 . 1 . . . . . 116 ILE CG2 . 51379 1 1062 . 1 . 1 93 93 ILE CD1 C 13 15.034 0.2 . 1 . . . . . 116 ILE CD1 . 51379 1 1063 . 1 . 1 93 93 ILE N N 15 125.089 0.2 . 1 . . . . . 116 ILE N . 51379 1 1064 . 1 . 1 94 94 LYS H H 1 8.463 0.01 . 1 . . . . . 117 LYS H . 51379 1 1065 . 1 . 1 94 94 LYS HA H 1 3.715 0.01 . 1 . . . . . 117 LYS HA . 51379 1 1066 . 1 . 1 94 94 LYS HB2 H 1 1.816 0.01 . 2 . . . . . 117 LYS HB2 . 51379 1 1067 . 1 . 1 94 94 LYS HB3 H 1 2.025 0.01 . 2 . . . . . 117 LYS HB3 . 51379 1 1068 . 1 . 1 94 94 LYS HG2 H 1 1.328 0.01 . 2 . . . . . 117 LYS HG2 . 51379 1 1069 . 1 . 1 94 94 LYS HG3 H 1 1.328 0.01 . 2 . . . . . 117 LYS HG3 . 51379 1 1070 . 1 . 1 94 94 LYS C C 13 179.522 0.2 . 1 . . . . . 117 LYS C . 51379 1 1071 . 1 . 1 94 94 LYS CA C 13 60.768 0.2 . 1 . . . . . 117 LYS CA . 51379 1 1072 . 1 . 1 94 94 LYS CB C 13 32.686 0.2 . 1 . . . . . 117 LYS CB . 51379 1 1073 . 1 . 1 94 94 LYS CG C 13 25.436 0.2 . 1 . . . . . 117 LYS CG . 51379 1 1074 . 1 . 1 94 94 LYS N N 15 121.516 0.2 . 1 . . . . . 117 LYS N . 51379 1 1075 . 1 . 1 95 95 GLU H H 1 7.549 0.01 . 1 . . . . . 118 GLU H . 51379 1 1076 . 1 . 1 95 95 GLU HA H 1 4.109 0.01 . 1 . . . . . 118 GLU HA . 51379 1 1077 . 1 . 1 95 95 GLU HB2 H 1 2.126 0.01 . 2 . . . . . 118 GLU HB2 . 51379 1 1078 . 1 . 1 95 95 GLU HB3 H 1 2.126 0.01 . 2 . . . . . 118 GLU HB3 . 51379 1 1079 . 1 . 1 95 95 GLU HG2 H 1 2.294 0.01 . 2 . . . . . 118 GLU HG2 . 51379 1 1080 . 1 . 1 95 95 GLU HG3 H 1 2.391 0.01 . 2 . . . . . 118 GLU HG3 . 51379 1 1081 . 1 . 1 95 95 GLU C C 13 178.610 0.2 . 1 . . . . . 118 GLU C . 51379 1 1082 . 1 . 1 95 95 GLU CA C 13 58.832 0.2 . 1 . . . . . 118 GLU CA . 51379 1 1083 . 1 . 1 95 95 GLU CB C 13 29.513 0.2 . 1 . . . . . 118 GLU CB . 51379 1 1084 . 1 . 1 95 95 GLU CG C 13 36.093 0.2 . 1 . . . . . 118 GLU CG . 51379 1 1085 . 1 . 1 95 95 GLU N N 15 119.116 0.2 . 1 . . . . . 118 GLU N . 51379 1 1086 . 1 . 1 96 96 PHE H H 1 8.447 0.01 . 1 . . . . . 119 PHE H . 51379 1 1087 . 1 . 1 96 96 PHE HA H 1 4.054 0.01 . 1 . . . . . 119 PHE HA . 51379 1 1088 . 1 . 1 96 96 PHE HB2 H 1 3.251 0.01 . 2 . . . . . 119 PHE HB2 . 51379 1 1089 . 1 . 1 96 96 PHE HB3 H 1 3.470 0.01 . 2 . . . . . 119 PHE HB3 . 51379 1 1090 . 1 . 1 96 96 PHE HD1 H 1 7.105 0.01 . 3 . . . . . 119 PHE HD1 . 51379 1 1091 . 1 . 1 96 96 PHE HD2 H 1 7.105 0.01 . 3 . . . . . 119 PHE HD2 . 51379 1 1092 . 1 . 1 96 96 PHE HE1 H 1 7.229 0.01 . 3 . . . . . 119 PHE HE1 . 51379 1 1093 . 1 . 1 96 96 PHE HE2 H 1 7.229 0.01 . 3 . . . . . 119 PHE HE2 . 51379 1 1094 . 1 . 1 96 96 PHE HZ H 1 7.616 0.01 . 1 . . . . . 119 PHE HZ . 51379 1 1095 . 1 . 1 96 96 PHE C C 13 179.079 0.2 . 1 . . . . . 119 PHE C . 51379 1 1096 . 1 . 1 96 96 PHE CA C 13 61.797 0.2 . 1 . . . . . 119 PHE CA . 51379 1 1097 . 1 . 1 96 96 PHE CB C 13 39.603 0.2 . 1 . . . . . 119 PHE CB . 51379 1 1098 . 1 . 1 96 96 PHE CD1 C 13 132.257 0.2 . 3 . . . . . 119 PHE CD1 . 51379 1 1099 . 1 . 1 96 96 PHE CD2 C 13 132.257 0.2 . 3 . . . . . 119 PHE CD2 . 51379 1 1100 . 1 . 1 96 96 PHE CE1 C 13 130.758 0.2 . 3 . . . . . 119 PHE CE1 . 51379 1 1101 . 1 . 1 96 96 PHE CE2 C 13 130.758 0.2 . 3 . . . . . 119 PHE CE2 . 51379 1 1102 . 1 . 1 96 96 PHE CZ C 13 131.258 0.2 . 1 . . . . . 119 PHE CZ . 51379 1 1103 . 1 . 1 96 96 PHE N N 15 124.499 0.2 . 1 . . . . . 119 PHE N . 51379 1 1104 . 1 . 1 97 97 ALA H H 1 8.937 0.01 . 1 . . . . . 120 ALA H . 51379 1 1105 . 1 . 1 97 97 ALA HA H 1 3.713 0.01 . 1 . . . . . 120 ALA HA . 51379 1 1106 . 1 . 1 97 97 ALA HB1 H 1 1.544 0.01 . 1 . . . . . 120 ALA MB . 51379 1 1107 . 1 . 1 97 97 ALA HB2 H 1 1.544 0.01 . 1 . . . . . 120 ALA MB . 51379 1 1108 . 1 . 1 97 97 ALA HB3 H 1 1.544 0.01 . 1 . . . . . 120 ALA MB . 51379 1 1109 . 1 . 1 97 97 ALA C C 13 180.179 0.2 . 1 . . . . . 120 ALA C . 51379 1 1110 . 1 . 1 97 97 ALA CA C 13 54.934 0.2 . 1 . . . . . 120 ALA CA . 51379 1 1111 . 1 . 1 97 97 ALA CB C 13 17.104 0.2 . 1 . . . . . 120 ALA CB . 51379 1 1112 . 1 . 1 97 97 ALA N N 15 123.031 0.2 . 1 . . . . . 120 ALA N . 51379 1 1113 . 1 . 1 98 98 ALA H H 1 7.966 0.01 . 1 . . . . . 121 ALA H . 51379 1 1114 . 1 . 1 98 98 ALA HA H 1 4.347 0.01 . 1 . . . . . 121 ALA HA . 51379 1 1115 . 1 . 1 98 98 ALA HB1 H 1 1.526 0.01 . 1 . . . . . 121 ALA MB . 51379 1 1116 . 1 . 1 98 98 ALA HB2 H 1 1.526 0.01 . 1 . . . . . 121 ALA MB . 51379 1 1117 . 1 . 1 98 98 ALA HB3 H 1 1.526 0.01 . 1 . . . . . 121 ALA MB . 51379 1 1118 . 1 . 1 98 98 ALA C C 13 182.314 0.2 . 1 . . . . . 121 ALA C . 51379 1 1119 . 1 . 1 98 98 ALA CA C 13 54.908 0.2 . 1 . . . . . 121 ALA CA . 51379 1 1120 . 1 . 1 98 98 ALA CB C 13 17.331 0.2 . 1 . . . . . 121 ALA CB . 51379 1 1121 . 1 . 1 98 98 ALA N N 15 121.867 0.2 . 1 . . . . . 121 ALA N . 51379 1 1122 . 1 . 1 99 99 GLY H H 1 7.704 0.01 . 1 . . . . . 122 GLY H . 51379 1 1123 . 1 . 1 99 99 GLY HA2 H 1 3.709 0.01 . 2 . . . . . 122 GLY HA2 . 51379 1 1124 . 1 . 1 99 99 GLY HA3 H 1 3.796 0.01 . 2 . . . . . 122 GLY HA3 . 51379 1 1125 . 1 . 1 99 99 GLY C C 13 174.818 0.2 . 1 . . . . . 122 GLY C . 51379 1 1126 . 1 . 1 99 99 GLY CA C 13 46.254 0.2 . 1 . . . . . 122 GLY CA . 51379 1 1127 . 1 . 1 99 99 GLY N N 15 108.051 0.2 . 1 . . . . . 122 GLY N . 51379 1 1128 . 1 . 1 100 100 TYR H H 1 7.212 0.01 . 1 . . . . . 123 TYR H . 51379 1 1129 . 1 . 1 100 100 TYR HA H 1 4.343 0.01 . 1 . . . . . 123 TYR HA . 51379 1 1130 . 1 . 1 100 100 TYR HB2 H 1 2.463 0.01 . 2 . . . . . 123 TYR HB2 . 51379 1 1131 . 1 . 1 100 100 TYR HB3 H 1 3.368 0.01 . 2 . . . . . 123 TYR HB3 . 51379 1 1132 . 1 . 1 100 100 TYR HD1 H 1 6.635 0.01 . 3 . . . . . 123 TYR HD1 . 51379 1 1133 . 1 . 1 100 100 TYR HD2 H 1 6.635 0.01 . 3 . . . . . 123 TYR HD2 . 51379 1 1134 . 1 . 1 100 100 TYR HE1 H 1 6.514 0.01 . 3 . . . . . 123 TYR HE1 . 51379 1 1135 . 1 . 1 100 100 TYR HE2 H 1 6.514 0.01 . 3 . . . . . 123 TYR HE2 . 51379 1 1136 . 1 . 1 100 100 TYR HH H 1 7.210 0.01 . 1 . . . . . 123 TYR HH . 51379 1 1137 . 1 . 1 100 100 TYR C C 13 174.923 0.2 . 1 . . . . . 123 TYR C . 51379 1 1138 . 1 . 1 100 100 TYR CA C 13 59.031 0.2 . 1 . . . . . 123 TYR CA . 51379 1 1139 . 1 . 1 100 100 TYR CB C 13 39.524 0.2 . 1 . . . . . 123 TYR CB . 51379 1 1140 . 1 . 1 100 100 TYR CD1 C 13 132.284 0.2 . 3 . . . . . 123 TYR CD1 . 51379 1 1141 . 1 . 1 100 100 TYR CD2 C 13 132.284 0.2 . 3 . . . . . 123 TYR CD2 . 51379 1 1142 . 1 . 1 100 100 TYR CE1 C 13 118.146 0.2 . 3 . . . . . 123 TYR CE1 . 51379 1 1143 . 1 . 1 100 100 TYR CE2 C 13 118.146 0.2 . 3 . . . . . 123 TYR CE2 . 51379 1 1144 . 1 . 1 100 100 TYR N N 15 118.015 0.2 . 1 . . . . . 123 TYR N . 51379 1 1145 . 1 . 1 101 101 ASN H H 1 8.097 0.01 . 1 . . . . . 124 ASN H . 51379 1 1146 . 1 . 1 101 101 ASN HA H 1 4.329 0.01 . 1 . . . . . 124 ASN HA . 51379 1 1147 . 1 . 1 101 101 ASN HB2 H 1 2.949 0.01 . 2 . . . . . 124 ASN HB2 . 51379 1 1148 . 1 . 1 101 101 ASN HB3 H 1 3.074 0.01 . 2 . . . . . 124 ASN HB3 . 51379 1 1149 . 1 . 1 101 101 ASN C C 13 174.219 0.2 . 1 . . . . . 124 ASN C . 51379 1 1150 . 1 . 1 101 101 ASN CA C 13 54.053 0.2 . 1 . . . . . 124 ASN CA . 51379 1 1151 . 1 . 1 101 101 ASN CB C 13 36.933 0.2 . 1 . . . . . 124 ASN CB . 51379 1 1152 . 1 . 1 101 101 ASN N N 15 114.712 0.2 . 1 . . . . . 124 ASN N . 51379 1 1153 . 1 . 1 102 102 VAL H H 1 6.835 0.01 . 1 . . . . . 125 VAL H . 51379 1 1154 . 1 . 1 102 102 VAL HA H 1 3.279 0.01 . 1 . . . . . 125 VAL HA . 51379 1 1155 . 1 . 1 102 102 VAL HB H 1 1.360 0.01 . 1 . . . . . 125 VAL HB . 51379 1 1156 . 1 . 1 102 102 VAL HG11 H 1 -0.342 0.01 . 2 . . . . . 125 VAL MG1 . 51379 1 1157 . 1 . 1 102 102 VAL HG12 H 1 -0.342 0.01 . 2 . . . . . 125 VAL MG1 . 51379 1 1158 . 1 . 1 102 102 VAL HG13 H 1 -0.342 0.01 . 2 . . . . . 125 VAL MG1 . 51379 1 1159 . 1 . 1 102 102 VAL HG21 H 1 0.900 0.01 . 2 . . . . . 125 VAL MG2 . 51379 1 1160 . 1 . 1 102 102 VAL HG22 H 1 0.900 0.01 . 2 . . . . . 125 VAL MG2 . 51379 1 1161 . 1 . 1 102 102 VAL HG23 H 1 0.900 0.01 . 2 . . . . . 125 VAL MG2 . 51379 1 1162 . 1 . 1 102 102 VAL C C 13 177.779 0.2 . 1 . . . . . 125 VAL C . 51379 1 1163 . 1 . 1 102 102 VAL CA C 13 64.573 0.2 . 1 . . . . . 125 VAL CA . 51379 1 1164 . 1 . 1 102 102 VAL CB C 13 32.421 0.2 . 1 . . . . . 125 VAL CB . 51379 1 1165 . 1 . 1 102 102 VAL CG1 C 13 19.406 0.2 . 2 . . . . . 125 VAL CG1 . 51379 1 1166 . 1 . 1 102 102 VAL CG2 C 13 23.256 0.2 . 2 . . . . . 125 VAL CG2 . 51379 1 1167 . 1 . 1 102 102 VAL N N 15 115.885 0.2 . 1 . . . . . 125 VAL N . 51379 1 1168 . 1 . 1 103 103 LYS H H 1 9.645 0.01 . 1 . . . . . 126 LYS H . 51379 1 1169 . 1 . 1 103 103 LYS HA H 1 4.659 0.01 . 1 . . . . . 126 LYS HA . 51379 1 1170 . 1 . 1 103 103 LYS HB2 H 1 2.246 0.01 . 2 . . . . . 126 LYS HB2 . 51379 1 1171 . 1 . 1 103 103 LYS HB3 H 1 2.246 0.01 . 2 . . . . . 126 LYS HB3 . 51379 1 1172 . 1 . 1 103 103 LYS HG2 H 1 1.426 0.01 . 2 . . . . . 126 LYS HG2 . 51379 1 1173 . 1 . 1 103 103 LYS HG3 H 1 1.568 0.01 . 2 . . . . . 126 LYS HG3 . 51379 1 1174 . 1 . 1 103 103 LYS HD2 H 1 1.749 0.01 . 2 . . . . . 126 LYS HD2 . 51379 1 1175 . 1 . 1 103 103 LYS HD3 H 1 1.749 0.01 . 2 . . . . . 126 LYS HD3 . 51379 1 1176 . 1 . 1 103 103 LYS C C 13 176.783 0.2 . 1 . . . . . 126 LYS C . 51379 1 1177 . 1 . 1 103 103 LYS CA C 13 54.623 0.2 . 1 . . . . . 126 LYS CA . 51379 1 1178 . 1 . 1 103 103 LYS CB C 13 33.013 0.2 . 1 . . . . . 126 LYS CB . 51379 1 1179 . 1 . 1 103 103 LYS CG C 13 24.510 0.2 . 1 . . . . . 126 LYS CG . 51379 1 1180 . 1 . 1 103 103 LYS CD C 13 28.780 0.2 . 1 . . . . . 126 LYS CD . 51379 1 1181 . 1 . 1 103 103 LYS CE C 13 42.197 0.2 . 1 . . . . . 126 LYS CE . 51379 1 1182 . 1 . 1 103 103 LYS N N 15 127.296 0.2 . 1 . . . . . 126 LYS N . 51379 1 1183 . 1 . 1 104 104 PHE H H 1 6.314 0.01 . 1 . . . . . 127 PHE H . 51379 1 1184 . 1 . 1 104 104 PHE HA H 1 4.643 0.01 . 1 . . . . . 127 PHE HA . 51379 1 1185 . 1 . 1 104 104 PHE HB2 H 1 1.712 0.01 . 2 . . . . . 127 PHE HB2 . 51379 1 1186 . 1 . 1 104 104 PHE HB3 H 1 3.945 0.01 . 2 . . . . . 127 PHE HB3 . 51379 1 1187 . 1 . 1 104 104 PHE HD1 H 1 6.268 0.01 . 3 . . . . . 127 PHE HD1 . 51379 1 1188 . 1 . 1 104 104 PHE HD2 H 1 6.268 0.01 . 3 . . . . . 127 PHE HD2 . 51379 1 1189 . 1 . 1 104 104 PHE HE1 H 1 7.252 0.01 . 3 . . . . . 127 PHE HE1 . 51379 1 1190 . 1 . 1 104 104 PHE HE2 H 1 7.252 0.01 . 3 . . . . . 127 PHE HE2 . 51379 1 1191 . 1 . 1 104 104 PHE HZ H 1 7.081 0.01 . 1 . . . . . 127 PHE HZ . 51379 1 1192 . 1 . 1 104 104 PHE C C 13 171.868 0.2 . 1 . . . . . 127 PHE C . 51379 1 1193 . 1 . 1 104 104 PHE CA C 13 55.433 0.2 . 1 . . . . . 127 PHE CA . 51379 1 1194 . 1 . 1 104 104 PHE CB C 13 37.041 0.2 . 1 . . . . . 127 PHE CB . 51379 1 1195 . 1 . 1 104 104 PHE CD1 C 13 130.768 0.2 . 3 . . . . . 127 PHE CD1 . 51379 1 1196 . 1 . 1 104 104 PHE CD2 C 13 130.768 0.2 . 3 . . . . . 127 PHE CD2 . 51379 1 1197 . 1 . 1 104 104 PHE CE1 C 13 131.758 0.2 . 3 . . . . . 127 PHE CE1 . 51379 1 1198 . 1 . 1 104 104 PHE CE2 C 13 131.758 0.2 . 3 . . . . . 127 PHE CE2 . 51379 1 1199 . 1 . 1 104 104 PHE N N 15 117.385 0.2 . 1 . . . . . 127 PHE N . 51379 1 1200 . 1 . 1 105 105 ASP H H 1 8.147 0.01 . 1 . . . . . 128 ASP H . 51379 1 1201 . 1 . 1 105 105 ASP HA H 1 4.649 0.01 . 1 . . . . . 128 ASP HA . 51379 1 1202 . 1 . 1 105 105 ASP HB2 H 1 2.704 0.01 . 2 . . . . . 128 ASP HB2 . 51379 1 1203 . 1 . 1 105 105 ASP HB3 H 1 2.704 0.01 . 2 . . . . . 128 ASP HB3 . 51379 1 1204 . 1 . 1 105 105 ASP C C 13 173.079 0.2 . 1 . . . . . 128 ASP C . 51379 1 1205 . 1 . 1 105 105 ASP CA C 13 56.287 0.2 . 1 . . . . . 128 ASP CA . 51379 1 1206 . 1 . 1 105 105 ASP CB C 13 42.475 0.2 . 1 . . . . . 128 ASP CB . 51379 1 1207 . 1 . 1 105 105 ASP N N 15 118.801 0.2 . 1 . . . . . 128 ASP N . 51379 1 1208 . 1 . 1 106 106 MET H H 1 8.182 0.01 . 1 . . . . . 129 MET H . 51379 1 1209 . 1 . 1 106 106 MET HA H 1 5.218 0.01 . 1 . . . . . 129 MET HA . 51379 1 1210 . 1 . 1 106 106 MET HB2 H 1 1.794 0.01 . 2 . . . . . 129 MET HB2 . 51379 1 1211 . 1 . 1 106 106 MET HB3 H 1 1.936 0.01 . 2 . . . . . 129 MET HB3 . 51379 1 1212 . 1 . 1 106 106 MET HG2 H 1 2.276 0.01 . 2 . . . . . 129 MET HG2 . 51379 1 1213 . 1 . 1 106 106 MET HG3 H 1 2.512 0.01 . 2 . . . . . 129 MET HG3 . 51379 1 1214 . 1 . 1 106 106 MET HE1 H 1 2.044 0.01 . 1 . . . . . 129 MET ME . 51379 1 1215 . 1 . 1 106 106 MET HE2 H 1 2.044 0.01 . 1 . . . . . 129 MET ME . 51379 1 1216 . 1 . 1 106 106 MET HE3 H 1 2.044 0.01 . 1 . . . . . 129 MET ME . 51379 1 1217 . 1 . 1 106 106 MET C C 13 176.702 0.2 . 1 . . . . . 129 MET C . 51379 1 1218 . 1 . 1 106 106 MET CA C 13 52.523 0.2 . 1 . . . . . 129 MET CA . 51379 1 1219 . 1 . 1 106 106 MET CB C 13 31.820 0.2 . 1 . . . . . 129 MET CB . 51379 1 1220 . 1 . 1 106 106 MET CG C 13 31.123 0.2 . 1 . . . . . 129 MET CG . 51379 1 1221 . 1 . 1 106 106 MET CE C 13 15.432 0.2 . 1 . . . . . 129 MET CE . 51379 1 1222 . 1 . 1 106 106 MET N N 15 121.577 0.2 . 1 . . . . . 129 MET N . 51379 1 1223 . 1 . 1 107 107 PHE H H 1 8.550 0.01 . 1 . . . . . 130 PHE H . 51379 1 1224 . 1 . 1 107 107 PHE HA H 1 4.401 0.01 . 1 . . . . . 130 PHE HA . 51379 1 1225 . 1 . 1 107 107 PHE HB2 H 1 1.974 0.01 . 2 . . . . . 130 PHE HB2 . 51379 1 1226 . 1 . 1 107 107 PHE HB3 H 1 3.072 0.01 . 2 . . . . . 130 PHE HB3 . 51379 1 1227 . 1 . 1 107 107 PHE HD1 H 1 6.762 0.01 . 3 . . . . . 130 PHE HD1 . 51379 1 1228 . 1 . 1 107 107 PHE HD2 H 1 6.762 0.01 . 3 . . . . . 130 PHE HD2 . 51379 1 1229 . 1 . 1 107 107 PHE HE1 H 1 7.056 0.01 . 3 . . . . . 130 PHE HE1 . 51379 1 1230 . 1 . 1 107 107 PHE HE2 H 1 7.056 0.01 . 3 . . . . . 130 PHE HE2 . 51379 1 1231 . 1 . 1 107 107 PHE HZ H 1 7.390 0.01 . 1 . . . . . 130 PHE HZ . 51379 1 1232 . 1 . 1 107 107 PHE C C 13 172.500 0.2 . 1 . . . . . 130 PHE C . 51379 1 1233 . 1 . 1 107 107 PHE CA C 13 57.355 0.2 . 1 . . . . . 130 PHE CA . 51379 1 1234 . 1 . 1 107 107 PHE CB C 13 41.172 0.2 . 1 . . . . . 130 PHE CB . 51379 1 1235 . 1 . 1 107 107 PHE CD1 C 13 131.180 0.2 . 3 . . . . . 130 PHE CD1 . 51379 1 1236 . 1 . 1 107 107 PHE CD2 C 13 131.180 0.2 . 3 . . . . . 130 PHE CD2 . 51379 1 1237 . 1 . 1 107 107 PHE CE1 C 13 130.258 0.2 . 3 . . . . . 130 PHE CE1 . 51379 1 1238 . 1 . 1 107 107 PHE CE2 C 13 130.258 0.2 . 3 . . . . . 130 PHE CE2 . 51379 1 1239 . 1 . 1 107 107 PHE CZ C 13 128.759 0.2 . 1 . . . . . 130 PHE CZ . 51379 1 1240 . 1 . 1 107 107 PHE N N 15 123.524 0.2 . 1 . . . . . 130 PHE N . 51379 1 1241 . 1 . 1 108 108 SER H H 1 7.817 0.01 . 1 . . . . . 131 SER H . 51379 1 1242 . 1 . 1 108 108 SER HA H 1 4.174 0.01 . 1 . . . . . 131 SER HA . 51379 1 1243 . 1 . 1 108 108 SER HB2 H 1 3.843 0.01 . 2 . . . . . 131 SER HB2 . 51379 1 1244 . 1 . 1 108 108 SER HB3 H 1 3.976 0.01 . 2 . . . . . 131 SER HB3 . 51379 1 1245 . 1 . 1 108 108 SER C C 13 174.318 0.2 . 1 . . . . . 131 SER C . 51379 1 1246 . 1 . 1 108 108 SER CA C 13 60.533 0.2 . 1 . . . . . 131 SER CA . 51379 1 1247 . 1 . 1 108 108 SER CB C 13 64.352 0.2 . 1 . . . . . 131 SER CB . 51379 1 1248 . 1 . 1 108 108 SER N N 15 110.366 0.2 . 1 . . . . . 131 SER N . 51379 1 1249 . 1 . 1 109 109 LYS H H 1 8.365 0.01 . 1 . . . . . 132 LYS H . 51379 1 1250 . 1 . 1 109 109 LYS HA H 1 4.455 0.01 . 1 . . . . . 132 LYS HA . 51379 1 1251 . 1 . 1 109 109 LYS HB2 H 1 1.553 0.01 . 2 . . . . . 132 LYS HB2 . 51379 1 1252 . 1 . 1 109 109 LYS HB3 H 1 1.790 0.01 . 2 . . . . . 132 LYS HB3 . 51379 1 1253 . 1 . 1 109 109 LYS HG2 H 1 1.224 0.01 . 2 . . . . . 132 LYS HG2 . 51379 1 1254 . 1 . 1 109 109 LYS HG3 H 1 1.224 0.01 . 2 . . . . . 132 LYS HG3 . 51379 1 1255 . 1 . 1 109 109 LYS HD2 H 1 1.411 0.01 . 2 . . . . . 132 LYS HD2 . 51379 1 1256 . 1 . 1 109 109 LYS HD3 H 1 1.411 0.01 . 2 . . . . . 132 LYS HD3 . 51379 1 1257 . 1 . 1 109 109 LYS HE2 H 1 2.690 0.01 . 2 . . . . . 132 LYS HE2 . 51379 1 1258 . 1 . 1 109 109 LYS HE3 H 1 2.555 0.01 . 2 . . . . . 132 LYS HE3 . 51379 1 1259 . 1 . 1 109 109 LYS C C 13 176.804 0.2 . 1 . . . . . 132 LYS C . 51379 1 1260 . 1 . 1 109 109 LYS CA C 13 57.646 0.2 . 1 . . . . . 132 LYS CA . 51379 1 1261 . 1 . 1 109 109 LYS CB C 13 32.578 0.2 . 1 . . . . . 132 LYS CB . 51379 1 1262 . 1 . 1 109 109 LYS CG C 13 24.281 0.2 . 1 . . . . . 132 LYS CG . 51379 1 1263 . 1 . 1 109 109 LYS CE C 13 43.929 0.2 . 1 . . . . . 132 LYS CE . 51379 1 1264 . 1 . 1 109 109 LYS N N 15 123.046 0.2 . 1 . . . . . 132 LYS N . 51379 1 1265 . 1 . 1 110 110 ILE H H 1 8.647 0.01 . 1 . . . . . 133 ILE H . 51379 1 1266 . 1 . 1 110 110 ILE HA H 1 4.873 0.01 . 1 . . . . . 133 ILE HA . 51379 1 1267 . 1 . 1 110 110 ILE HB H 1 2.152 0.01 . 1 . . . . . 133 ILE HB . 51379 1 1268 . 1 . 1 110 110 ILE HG12 H 1 1.060 0.01 . 2 . . . . . 133 ILE HG12 . 51379 1 1269 . 1 . 1 110 110 ILE HG13 H 1 0.892 0.01 . 2 . . . . . 133 ILE HG13 . 51379 1 1270 . 1 . 1 110 110 ILE HG21 H 1 1.274 0.01 . 1 . . . . . 133 ILE MG . 51379 1 1271 . 1 . 1 110 110 ILE HG22 H 1 1.274 0.01 . 1 . . . . . 133 ILE MG . 51379 1 1272 . 1 . 1 110 110 ILE HG23 H 1 1.274 0.01 . 1 . . . . . 133 ILE MG . 51379 1 1273 . 1 . 1 110 110 ILE HD11 H 1 0.010 0.01 . 1 . . . . . 133 ILE MD . 51379 1 1274 . 1 . 1 110 110 ILE HD12 H 1 0.010 0.01 . 1 . . . . . 133 ILE MD . 51379 1 1275 . 1 . 1 110 110 ILE HD13 H 1 0.010 0.01 . 1 . . . . . 133 ILE MD . 51379 1 1276 . 1 . 1 110 110 ILE C C 13 176.911 0.2 . 1 . . . . . 133 ILE C . 51379 1 1277 . 1 . 1 110 110 ILE CA C 13 60.322 0.2 . 1 . . . . . 133 ILE CA . 51379 1 1278 . 1 . 1 110 110 ILE CB C 13 44.490 0.2 . 1 . . . . . 133 ILE CB . 51379 1 1279 . 1 . 1 110 110 ILE CG1 C 13 25.436 0.2 . 1 . . . . . 133 ILE CG1 . 51379 1 1280 . 1 . 1 110 110 ILE CG2 C 13 19.080 0.2 . 1 . . . . . 133 ILE CG2 . 51379 1 1281 . 1 . 1 110 110 ILE CD1 C 13 16.157 0.2 . 1 . . . . . 133 ILE CD1 . 51379 1 1282 . 1 . 1 110 110 ILE N N 15 119.355 0.2 . 1 . . . . . 133 ILE N . 51379 1 1283 . 1 . 1 111 111 GLU H H 1 8.648 0.01 . 1 . . . . . 134 GLU H . 51379 1 1284 . 1 . 1 111 111 GLU HA H 1 3.993 0.01 . 1 . . . . . 134 GLU HA . 51379 1 1285 . 1 . 1 111 111 GLU HB2 H 1 1.567 0.01 . 2 . . . . . 134 GLU HB2 . 51379 1 1286 . 1 . 1 111 111 GLU HB3 H 1 1.803 0.01 . 2 . . . . . 134 GLU HB3 . 51379 1 1287 . 1 . 1 111 111 GLU HG2 H 1 1.905 0.01 . 2 . . . . . 134 GLU HG2 . 51379 1 1288 . 1 . 1 111 111 GLU HG3 H 1 2.283 0.01 . 2 . . . . . 134 GLU HG3 . 51379 1 1289 . 1 . 1 111 111 GLU C C 13 174.474 0.2 . 1 . . . . . 134 GLU C . 51379 1 1290 . 1 . 1 111 111 GLU CA C 13 56.761 0.2 . 1 . . . . . 134 GLU CA . 51379 1 1291 . 1 . 1 111 111 GLU CB C 13 29.654 0.2 . 1 . . . . . 134 GLU CB . 51379 1 1292 . 1 . 1 111 111 GLU CG C 13 37.633 0.2 . 1 . . . . . 134 GLU CG . 51379 1 1293 . 1 . 1 111 111 GLU N N 15 120.285 0.2 . 1 . . . . . 134 GLU N . 51379 1 1294 . 1 . 1 112 112 VAL H H 1 7.993 0.01 . 1 . . . . . 135 VAL H . 51379 1 1295 . 1 . 1 112 112 VAL HA H 1 4.112 0.01 . 1 . . . . . 135 VAL HA . 51379 1 1296 . 1 . 1 112 112 VAL HB H 1 1.870 0.01 . 1 . . . . . 135 VAL HB . 51379 1 1297 . 1 . 1 112 112 VAL HG11 H 1 0.682 0.01 . 2 . . . . . 135 VAL MG1 . 51379 1 1298 . 1 . 1 112 112 VAL HG12 H 1 0.682 0.01 . 2 . . . . . 135 VAL MG1 . 51379 1 1299 . 1 . 1 112 112 VAL HG13 H 1 0.682 0.01 . 2 . . . . . 135 VAL MG1 . 51379 1 1300 . 1 . 1 112 112 VAL HG21 H 1 -0.700 0.01 . 2 . . . . . 135 VAL MG2 . 51379 1 1301 . 1 . 1 112 112 VAL HG22 H 1 -0.700 0.01 . 2 . . . . . 135 VAL MG2 . 51379 1 1302 . 1 . 1 112 112 VAL HG23 H 1 -0.700 0.01 . 2 . . . . . 135 VAL MG2 . 51379 1 1303 . 1 . 1 112 112 VAL C C 13 173.583 0.2 . 1 . . . . . 135 VAL C . 51379 1 1304 . 1 . 1 112 112 VAL CA C 13 61.105 0.2 . 1 . . . . . 135 VAL CA . 51379 1 1305 . 1 . 1 112 112 VAL CB C 13 32.451 0.2 . 1 . . . . . 135 VAL CB . 51379 1 1306 . 1 . 1 112 112 VAL CG1 C 13 18.701 0.2 . 2 . . . . . 135 VAL CG1 . 51379 1 1307 . 1 . 1 112 112 VAL CG2 C 13 19.676 0.2 . 2 . . . . . 135 VAL CG2 . 51379 1 1308 . 1 . 1 112 112 VAL N N 15 112.210 0.2 . 1 . . . . . 135 VAL N . 51379 1 1309 . 1 . 1 113 113 ASN H H 1 8.516 0.01 . 1 . . . . . 136 ASN H . 51379 1 1310 . 1 . 1 113 113 ASN HA H 1 4.814 0.01 . 1 . . . . . 136 ASN HA . 51379 1 1311 . 1 . 1 113 113 ASN HB2 H 1 2.498 0.01 . 2 . . . . . 136 ASN HB2 . 51379 1 1312 . 1 . 1 113 113 ASN HB3 H 1 2.918 0.01 . 2 . . . . . 136 ASN HB3 . 51379 1 1313 . 1 . 1 113 113 ASN C C 13 176.211 0.2 . 1 . . . . . 136 ASN C . 51379 1 1314 . 1 . 1 113 113 ASN CA C 13 50.842 0.2 . 1 . . . . . 136 ASN CA . 51379 1 1315 . 1 . 1 113 113 ASN CB C 13 42.380 0.2 . 1 . . . . . 136 ASN CB . 51379 1 1316 . 1 . 1 113 113 ASN N N 15 119.435 0.2 . 1 . . . . . 136 ASN N . 51379 1 1317 . 1 . 1 114 114 GLY HA2 H 1 3.751 0.01 . 2 . . . . . 137 GLY HA2 . 51379 1 1318 . 1 . 1 114 114 GLY HA3 H 1 4.437 0.01 . 2 . . . . . 137 GLY HA3 . 51379 1 1319 . 1 . 1 114 114 GLY C C 13 175.837 0.2 . 1 . . . . . 137 GLY C . 51379 1 1320 . 1 . 1 114 114 GLY CA C 13 44.594 0.2 . 1 . . . . . 137 GLY CA . 51379 1 1321 . 1 . 1 115 115 ASP H H 1 8.856 0.01 . 1 . . . . . 138 ASP H . 51379 1 1322 . 1 . 1 115 115 ASP HA H 1 4.288 0.01 . 1 . . . . . 138 ASP HA . 51379 1 1323 . 1 . 1 115 115 ASP HB2 H 1 2.549 0.01 . 2 . . . . . 138 ASP HB2 . 51379 1 1324 . 1 . 1 115 115 ASP HB3 H 1 2.745 0.01 . 2 . . . . . 138 ASP HB3 . 51379 1 1325 . 1 . 1 115 115 ASP C C 13 177.490 0.2 . 1 . . . . . 138 ASP C . 51379 1 1326 . 1 . 1 115 115 ASP CA C 13 57.540 0.2 . 1 . . . . . 138 ASP CA . 51379 1 1327 . 1 . 1 115 115 ASP CB C 13 40.950 0.2 . 1 . . . . . 138 ASP CB . 51379 1 1328 . 1 . 1 115 115 ASP N N 15 119.005 0.2 . 1 . . . . . 138 ASP N . 51379 1 1329 . 1 . 1 116 116 ASP H H 1 8.425 0.01 . 1 . . . . . 139 ASP H . 51379 1 1330 . 1 . 1 116 116 ASP HA H 1 4.950 0.01 . 1 . . . . . 139 ASP HA . 51379 1 1331 . 1 . 1 116 116 ASP HB2 H 1 2.423 0.01 . 2 . . . . . 139 ASP HB2 . 51379 1 1332 . 1 . 1 116 116 ASP HB3 H 1 2.910 0.01 . 2 . . . . . 139 ASP HB3 . 51379 1 1333 . 1 . 1 116 116 ASP C C 13 174.964 0.2 . 1 . . . . . 139 ASP C . 51379 1 1334 . 1 . 1 116 116 ASP CA C 13 53.415 0.2 . 1 . . . . . 139 ASP CA . 51379 1 1335 . 1 . 1 116 116 ASP CB C 13 40.770 0.2 . 1 . . . . . 139 ASP CB . 51379 1 1336 . 1 . 1 116 116 ASP N N 15 118.752 0.2 . 1 . . . . . 139 ASP N . 51379 1 1337 . 1 . 1 117 117 ALA H H 1 6.811 0.01 . 1 . . . . . 140 ALA H . 51379 1 1338 . 1 . 1 117 117 ALA HA H 1 3.719 0.01 . 1 . . . . . 140 ALA HA . 51379 1 1339 . 1 . 1 117 117 ALA HB1 H 1 0.819 0.01 . 1 . . . . . 140 ALA MB . 51379 1 1340 . 1 . 1 117 117 ALA HB2 H 1 0.819 0.01 . 1 . . . . . 140 ALA MB . 51379 1 1341 . 1 . 1 117 117 ALA HB3 H 1 0.819 0.01 . 1 . . . . . 140 ALA MB . 51379 1 1342 . 1 . 1 117 117 ALA C C 13 176.080 0.2 . 1 . . . . . 140 ALA C . 51379 1 1343 . 1 . 1 117 117 ALA CA C 13 51.239 0.2 . 1 . . . . . 140 ALA CA . 51379 1 1344 . 1 . 1 117 117 ALA CB C 13 18.838 0.2 . 1 . . . . . 140 ALA CB . 51379 1 1345 . 1 . 1 117 117 ALA N N 15 121.020 0.2 . 1 . . . . . 140 ALA N . 51379 1 1346 . 1 . 1 118 118 HIS H H 1 7.704 0.01 . 1 . . . . . 141 HIS H . 51379 1 1347 . 1 . 1 118 118 HIS HA H 1 4.459 0.01 . 1 . . . . . 141 HIS HA . 51379 1 1348 . 1 . 1 118 118 HIS HB2 H 1 2.773 0.01 . 2 . . . . . 141 HIS HB2 . 51379 1 1349 . 1 . 1 118 118 HIS HB3 H 1 3.217 0.01 . 2 . . . . . 141 HIS HB3 . 51379 1 1350 . 1 . 1 118 118 HIS HD1 H 1 7.707 0.01 . 1 . . . . . 141 HIS HD1 . 51379 1 1351 . 1 . 1 118 118 HIS HD2 H 1 7.606 0.01 . 1 . . . . . 141 HIS HD2 . 51379 1 1352 . 1 . 1 118 118 HIS C C 13 176.080 0.2 . 1 . . . . . 141 HIS C . 51379 1 1353 . 1 . 1 118 118 HIS CA C 13 56.545 0.2 . 1 . . . . . 141 HIS CA . 51379 1 1354 . 1 . 1 118 118 HIS CB C 13 33.472 0.2 . 1 . . . . . 141 HIS CB . 51379 1 1355 . 1 . 1 118 118 HIS CD2 C 13 119.214 0.2 . 1 . . . . . 141 HIS CD2 . 51379 1 1356 . 1 . 1 118 118 HIS N N 15 122.078 0.2 . 1 . . . . . 141 HIS N . 51379 1 1357 . 1 . 1 119 119 PRO HA H 1 3.549 0.01 . 1 . . . . . 142 PRO HA . 51379 1 1358 . 1 . 1 119 119 PRO HB2 H 1 2.420 0.01 . 2 . . . . . 142 PRO HB2 . 51379 1 1359 . 1 . 1 119 119 PRO HB3 H 1 2.420 0.01 . 2 . . . . . 142 PRO HB3 . 51379 1 1360 . 1 . 1 119 119 PRO HG2 H 1 1.937 0.01 . 2 . . . . . 142 PRO HG2 . 51379 1 1361 . 1 . 1 119 119 PRO HG3 H 1 2.204 0.01 . 2 . . . . . 142 PRO HG3 . 51379 1 1362 . 1 . 1 119 119 PRO HD2 H 1 3.720 0.01 . 2 . . . . . 142 PRO HD2 . 51379 1 1363 . 1 . 1 119 119 PRO HD3 H 1 3.720 0.01 . 2 . . . . . 142 PRO HD3 . 51379 1 1364 . 1 . 1 119 119 PRO C C 13 176.462 0.2 . 1 . . . . . 142 PRO C . 51379 1 1365 . 1 . 1 119 119 PRO CA C 13 65.620 0.2 . 1 . . . . . 142 PRO CA . 51379 1 1366 . 1 . 1 119 119 PRO CB C 13 32.129 0.2 . 1 . . . . . 142 PRO CB . 51379 1 1367 . 1 . 1 119 119 PRO CG C 13 27.645 0.2 . 1 . . . . . 142 PRO CG . 51379 1 1368 . 1 . 1 119 119 PRO CD C 13 51.143 0.2 . 1 . . . . . 142 PRO CD . 51379 1 1369 . 1 . 1 120 120 LEU H H 1 10.183 0.01 . 1 . . . . . 143 LEU H . 51379 1 1370 . 1 . 1 120 120 LEU HA H 1 2.670 0.01 . 1 . . . . . 143 LEU HA . 51379 1 1371 . 1 . 1 120 120 LEU HB2 H 1 0.832 0.01 . 2 . . . . . 143 LEU HB2 . 51379 1 1372 . 1 . 1 120 120 LEU HB3 H 1 1.769 0.01 . 2 . . . . . 143 LEU HB3 . 51379 1 1373 . 1 . 1 120 120 LEU HG H 1 0.606 0.01 . 1 . . . . . 143 LEU HG . 51379 1 1374 . 1 . 1 120 120 LEU HD11 H 1 0.486 0.01 . 2 . . . . . 143 LEU MD1 . 51379 1 1375 . 1 . 1 120 120 LEU HD12 H 1 0.486 0.01 . 2 . . . . . 143 LEU MD1 . 51379 1 1376 . 1 . 1 120 120 LEU HD13 H 1 0.486 0.01 . 2 . . . . . 143 LEU MD1 . 51379 1 1377 . 1 . 1 120 120 LEU HD21 H 1 0.215 0.01 . 2 . . . . . 143 LEU MD2 . 51379 1 1378 . 1 . 1 120 120 LEU HD22 H 1 0.215 0.01 . 2 . . . . . 143 LEU MD2 . 51379 1 1379 . 1 . 1 120 120 LEU HD23 H 1 0.215 0.01 . 2 . . . . . 143 LEU MD2 . 51379 1 1380 . 1 . 1 120 120 LEU C C 13 178.735 0.2 . 1 . . . . . 143 LEU C . 51379 1 1381 . 1 . 1 120 120 LEU CA C 13 57.799 0.2 . 1 . . . . . 143 LEU CA . 51379 1 1382 . 1 . 1 120 120 LEU CB C 13 41.049 0.2 . 1 . . . . . 143 LEU CB . 51379 1 1383 . 1 . 1 120 120 LEU CG C 13 27.170 0.2 . 1 . . . . . 143 LEU CG . 51379 1 1384 . 1 . 1 120 120 LEU CD1 C 13 23.825 0.2 . 2 . . . . . 143 LEU CD1 . 51379 1 1385 . 1 . 1 120 120 LEU CD2 C 13 25.493 0.2 . 2 . . . . . 143 LEU CD2 . 51379 1 1386 . 1 . 1 120 120 LEU N N 15 120.493 0.2 . 1 . . . . . 143 LEU N . 51379 1 1387 . 1 . 1 121 121 TRP H H 1 7.334 0.01 . 1 . . . . . 144 TRP H . 51379 1 1388 . 1 . 1 121 121 TRP HA H 1 3.360 0.01 . 1 . . . . . 144 TRP HA . 51379 1 1389 . 1 . 1 121 121 TRP HB2 H 1 3.080 0.01 . 2 . . . . . 144 TRP HB2 . 51379 1 1390 . 1 . 1 121 121 TRP HB3 H 1 3.211 0.01 . 2 . . . . . 144 TRP HB3 . 51379 1 1391 . 1 . 1 121 121 TRP HD1 H 1 6.143 0.01 . 1 . . . . . 144 TRP HD1 . 51379 1 1392 . 1 . 1 121 121 TRP HE1 H 1 9.405 0.01 . 1 . . . . . 144 TRP HE1 . 51379 1 1393 . 1 . 1 121 121 TRP HE3 H 1 7.284 0.01 . 1 . . . . . 144 TRP HE3 . 51379 1 1394 . 1 . 1 121 121 TRP HZ2 H 1 7.028 0.01 . 1 . . . . . 144 TRP HZ2 . 51379 1 1395 . 1 . 1 121 121 TRP HH2 H 1 7.441 0.01 . 1 . . . . . 144 TRP HH2 . 51379 1 1396 . 1 . 1 121 121 TRP C C 13 177.540 0.2 . 1 . . . . . 144 TRP C . 51379 1 1397 . 1 . 1 121 121 TRP CA C 13 61.042 0.2 . 1 . . . . . 144 TRP CA . 51379 1 1398 . 1 . 1 121 121 TRP CB C 13 26.684 0.2 . 1 . . . . . 144 TRP CB . 51379 1 1399 . 1 . 1 121 121 TRP CD1 C 13 124.025 0.2 . 1 . . . . . 144 TRP CD1 . 51379 1 1400 . 1 . 1 121 121 TRP CE3 C 13 119.264 0.2 . 1 . . . . . 144 TRP CE3 . 51379 1 1401 . 1 . 1 121 121 TRP CZ2 C 13 112.737 0.2 . 1 . . . . . 144 TRP CZ2 . 51379 1 1402 . 1 . 1 121 121 TRP CH2 C 13 125.570 0.2 . 1 . . . . . 144 TRP CH2 . 51379 1 1403 . 1 . 1 121 121 TRP N N 15 119.282 0.2 . 1 . . . . . 144 TRP N . 51379 1 1404 . 1 . 1 121 121 TRP NE1 N 15 131.666 0.2 . 1 . . . . . 144 TRP NE1 . 51379 1 1405 . 1 . 1 122 122 LYS H H 1 7.263 0.01 . 1 . . . . . 145 LYS H . 51379 1 1406 . 1 . 1 122 122 LYS HA H 1 3.411 0.01 . 1 . . . . . 145 LYS HA . 51379 1 1407 . 1 . 1 122 122 LYS HB2 H 1 0.546 0.01 . 2 . . . . . 145 LYS HB2 . 51379 1 1408 . 1 . 1 122 122 LYS HB3 H 1 0.856 0.01 . 2 . . . . . 145 LYS HB3 . 51379 1 1409 . 1 . 1 122 122 LYS HG2 H 1 0.848 0.01 . 2 . . . . . 145 LYS HG2 . 51379 1 1410 . 1 . 1 122 122 LYS HG3 H 1 0.848 0.01 . 2 . . . . . 145 LYS HG3 . 51379 1 1411 . 1 . 1 122 122 LYS HD2 H 1 -0.376 0.01 . 2 . . . . . 145 LYS HD2 . 51379 1 1412 . 1 . 1 122 122 LYS HD3 H 1 -0.376 0.01 . 2 . . . . . 145 LYS HD3 . 51379 1 1413 . 1 . 1 122 122 LYS HE2 H 1 2.650 0.01 . 2 . . . . . 145 LYS HE2 . 51379 1 1414 . 1 . 1 122 122 LYS HE3 H 1 2.875 0.01 . 2 . . . . . 145 LYS HE3 . 51379 1 1415 . 1 . 1 122 122 LYS C C 13 177.738 0.2 . 1 . . . . . 145 LYS C . 51379 1 1416 . 1 . 1 122 122 LYS CA C 13 60.638 0.2 . 1 . . . . . 145 LYS CA . 51379 1 1417 . 1 . 1 122 122 LYS CB C 13 30.146 0.2 . 1 . . . . . 145 LYS CB . 51379 1 1418 . 1 . 1 122 122 LYS CG C 13 25.436 0.2 . 1 . . . . . 145 LYS CG . 51379 1 1419 . 1 . 1 122 122 LYS CD C 13 30.056 0.2 . 1 . . . . . 145 LYS CD . 51379 1 1420 . 1 . 1 122 122 LYS CE C 13 41.925 0.2 . 1 . . . . . 145 LYS CE . 51379 1 1421 . 1 . 1 122 122 LYS N N 15 118.146 0.2 . 1 . . . . . 145 LYS N . 51379 1 1422 . 1 . 1 123 123 TRP H H 1 7.759 0.01 . 1 . . . . . 146 TRP H . 51379 1 1423 . 1 . 1 123 123 TRP HA H 1 4.158 0.01 . 1 . . . . . 146 TRP HA . 51379 1 1424 . 1 . 1 123 123 TRP HB2 H 1 3.196 0.01 . 2 . . . . . 146 TRP HB2 . 51379 1 1425 . 1 . 1 123 123 TRP HB3 H 1 3.431 0.01 . 2 . . . . . 146 TRP HB3 . 51379 1 1426 . 1 . 1 123 123 TRP HD1 H 1 7.918 0.01 . 1 . . . . . 146 TRP HD1 . 51379 1 1427 . 1 . 1 123 123 TRP HE1 H 1 10.470 0.01 . 1 . . . . . 146 TRP HE1 . 51379 1 1428 . 1 . 1 123 123 TRP HE3 H 1 7.543 0.01 . 1 . . . . . 146 TRP HE3 . 51379 1 1429 . 1 . 1 123 123 TRP HZ2 H 1 6.862 0.01 . 1 . . . . . 146 TRP HZ2 . 51379 1 1430 . 1 . 1 123 123 TRP HZ3 H 1 6.330 0.01 . 1 . . . . . 146 TRP HZ3 . 51379 1 1431 . 1 . 1 123 123 TRP HH2 H 1 7.090 0.01 . 1 . . . . . 146 TRP HH2 . 51379 1 1432 . 1 . 1 123 123 TRP CA C 13 62.445 0.2 . 1 . . . . . 146 TRP CA . 51379 1 1433 . 1 . 1 123 123 TRP CB C 13 29.989 0.2 . 1 . . . . . 146 TRP CB . 51379 1 1434 . 1 . 1 123 123 TRP CD1 C 13 127.640 0.2 . 1 . . . . . 146 TRP CD1 . 51379 1 1435 . 1 . 1 123 123 TRP CE3 C 13 124.400 0.2 . 1 . . . . . 146 TRP CE3 . 51379 1 1436 . 1 . 1 123 123 TRP CZ2 C 13 113.450 0.2 . 1 . . . . . 146 TRP CZ2 . 51379 1 1437 . 1 . 1 123 123 TRP CZ3 C 13 119.550 0.2 . 1 . . . . . 146 TRP CZ3 . 51379 1 1438 . 1 . 1 123 123 TRP CH2 C 13 120.263 0.2 . 1 . . . . . 146 TRP CH2 . 51379 1 1439 . 1 . 1 123 123 TRP N N 15 117.143 0.2 . 1 . . . . . 146 TRP N . 51379 1 1440 . 1 . 1 123 123 TRP NE1 N 15 130.923 0.2 . 1 . . . . . 146 TRP NE1 . 51379 1 1441 . 1 . 1 124 124 MET H H 1 8.698 0.01 . 1 . . . . . 147 MET H . 51379 1 1442 . 1 . 1 124 124 MET HA H 1 2.845 0.01 . 1 . . . . . 147 MET HA . 51379 1 1443 . 1 . 1 124 124 MET HB2 H 1 0.353 0.01 . 2 . . . . . 147 MET HB2 . 51379 1 1444 . 1 . 1 124 124 MET HB3 H 1 1.010 0.01 . 2 . . . . . 147 MET HB3 . 51379 1 1445 . 1 . 1 124 124 MET HG2 H 1 1.383 0.01 . 2 . . . . . 147 MET HG2 . 51379 1 1446 . 1 . 1 124 124 MET HG3 H 1 2.701 0.01 . 2 . . . . . 147 MET HG3 . 51379 1 1447 . 1 . 1 124 124 MET C C 13 177.332 0.2 . 1 . . . . . 147 MET C . 51379 1 1448 . 1 . 1 124 124 MET CA C 13 60.891 0.2 . 1 . . . . . 147 MET CA . 51379 1 1449 . 1 . 1 124 124 MET CB C 13 32.739 0.2 . 1 . . . . . 147 MET CB . 51379 1 1450 . 1 . 1 124 124 MET CG C 13 29.669 0.2 . 1 . . . . . 147 MET CG . 51379 1 1451 . 1 . 1 124 124 MET N N 15 119.653 0.2 . 1 . . . . . 147 MET N . 51379 1 1452 . 1 . 1 125 125 LYS H H 1 6.723 0.01 . 1 . . . . . 148 LYS H . 51379 1 1453 . 1 . 1 125 125 LYS HA H 1 3.888 0.01 . 1 . . . . . 148 LYS HA . 51379 1 1454 . 1 . 1 125 125 LYS HB2 H 1 1.752 0.01 . 2 . . . . . 148 LYS HB2 . 51379 1 1455 . 1 . 1 125 125 LYS HB3 H 1 1.859 0.01 . 2 . . . . . 148 LYS HB3 . 51379 1 1456 . 1 . 1 125 125 LYS HG2 H 1 1.675 0.01 . 2 . . . . . 148 LYS HG2 . 51379 1 1457 . 1 . 1 125 125 LYS HG3 H 1 1.940 0.01 . 2 . . . . . 148 LYS HG3 . 51379 1 1458 . 1 . 1 125 125 LYS HE2 H 1 3.023 0.01 . 2 . . . . . 148 LYS HE2 . 51379 1 1459 . 1 . 1 125 125 LYS HE3 H 1 3.154 0.01 . 2 . . . . . 148 LYS HE3 . 51379 1 1460 . 1 . 1 125 125 LYS C C 13 175.877 0.2 . 1 . . . . . 148 LYS C . 51379 1 1461 . 1 . 1 125 125 LYS CA C 13 58.985 0.2 . 1 . . . . . 148 LYS CA . 51379 1 1462 . 1 . 1 125 125 LYS CB C 13 33.100 0.2 . 1 . . . . . 148 LYS CB . 51379 1 1463 . 1 . 1 125 125 LYS CG C 13 26.014 0.2 . 1 . . . . . 148 LYS CG . 51379 1 1464 . 1 . 1 125 125 LYS N N 15 110.157 0.2 . 1 . . . . . 148 LYS N . 51379 1 1465 . 1 . 1 126 126 ILE H H 1 6.745 0.01 . 1 . . . . . 149 ILE H . 51379 1 1466 . 1 . 1 126 126 ILE HA H 1 4.564 0.01 . 1 . . . . . 149 ILE HA . 51379 1 1467 . 1 . 1 126 126 ILE HB H 1 2.189 0.01 . 1 . . . . . 149 ILE HB . 51379 1 1468 . 1 . 1 126 126 ILE HG12 H 1 1.200 0.01 . 2 . . . . . 149 ILE HG12 . 51379 1 1469 . 1 . 1 126 126 ILE HG13 H 1 1.601 0.01 . 2 . . . . . 149 ILE HG13 . 51379 1 1470 . 1 . 1 126 126 ILE HG21 H 1 1.064 0.01 . 1 . . . . . 149 ILE MG . 51379 1 1471 . 1 . 1 126 126 ILE HG22 H 1 1.064 0.01 . 1 . . . . . 149 ILE MG . 51379 1 1472 . 1 . 1 126 126 ILE HG23 H 1 1.064 0.01 . 1 . . . . . 149 ILE MG . 51379 1 1473 . 1 . 1 126 126 ILE HD11 H 1 1.062 0.01 . 1 . . . . . 149 ILE MD . 51379 1 1474 . 1 . 1 126 126 ILE HD12 H 1 1.062 0.01 . 1 . . . . . 149 ILE MD . 51379 1 1475 . 1 . 1 126 126 ILE HD13 H 1 1.062 0.01 . 1 . . . . . 149 ILE MD . 51379 1 1476 . 1 . 1 126 126 ILE C C 13 177.353 0.2 . 1 . . . . . 149 ILE C . 51379 1 1477 . 1 . 1 126 126 ILE CA C 13 60.336 0.2 . 1 . . . . . 149 ILE CA . 51379 1 1478 . 1 . 1 126 126 ILE CB C 13 38.784 0.2 . 1 . . . . . 149 ILE CB . 51379 1 1479 . 1 . 1 126 126 ILE CG1 C 13 26.592 0.2 . 1 . . . . . 149 ILE CG1 . 51379 1 1480 . 1 . 1 126 126 ILE CG2 C 13 17.924 0.2 . 1 . . . . . 149 ILE CG2 . 51379 1 1481 . 1 . 1 126 126 ILE CD1 C 13 15.612 0.2 . 1 . . . . . 149 ILE CD1 . 51379 1 1482 . 1 . 1 126 126 ILE N N 15 105.631 0.2 . 1 . . . . . 149 ILE N . 51379 1 1483 . 1 . 1 127 127 GLN H H 1 7.063 0.01 . 1 . . . . . 150 GLN H . 51379 1 1484 . 1 . 1 127 127 GLN HA H 1 3.982 0.01 . 1 . . . . . 150 GLN HA . 51379 1 1485 . 1 . 1 127 127 GLN HB2 H 1 2.162 0.01 . 2 . . . . . 150 GLN HB2 . 51379 1 1486 . 1 . 1 127 127 GLN HB3 H 1 1.211 0.01 . 2 . . . . . 150 GLN HB3 . 51379 1 1487 . 1 . 1 127 127 GLN HG2 H 1 0.768 0.01 . 2 . . . . . 150 GLN HG2 . 51379 1 1488 . 1 . 1 127 127 GLN HG3 H 1 0.768 0.01 . 2 . . . . . 150 GLN HG3 . 51379 1 1489 . 1 . 1 127 127 GLN C C 13 176.183 0.2 . 1 . . . . . 150 GLN C . 51379 1 1490 . 1 . 1 127 127 GLN CA C 13 53.292 0.2 . 1 . . . . . 150 GLN CA . 51379 1 1491 . 1 . 1 127 127 GLN CB C 13 25.946 0.2 . 1 . . . . . 150 GLN CB . 51379 1 1492 . 1 . 1 127 127 GLN CG C 13 31.793 0.2 . 1 . . . . . 150 GLN CG . 51379 1 1493 . 1 . 1 127 127 GLN N N 15 122.497 0.2 . 1 . . . . . 150 GLN N . 51379 1 1494 . 1 . 1 128 128 PRO HA H 1 4.184 0.01 . 1 . . . . . 151 PRO HA . 51379 1 1495 . 1 . 1 128 128 PRO HB2 H 1 2.430 0.01 . 2 . . . . . 151 PRO HB2 . 51379 1 1496 . 1 . 1 128 128 PRO HB3 H 1 2.430 0.01 . 2 . . . . . 151 PRO HB3 . 51379 1 1497 . 1 . 1 128 128 PRO HG2 H 1 1.901 0.01 . 2 . . . . . 151 PRO HG2 . 51379 1 1498 . 1 . 1 128 128 PRO HG3 H 1 1.901 0.01 . 2 . . . . . 151 PRO HG3 . 51379 1 1499 . 1 . 1 128 128 PRO C C 13 178.765 0.2 . 1 . . . . . 151 PRO C . 51379 1 1500 . 1 . 1 128 128 PRO CA C 13 66.632 0.2 . 1 . . . . . 151 PRO CA . 51379 1 1501 . 1 . 1 128 128 PRO CB C 13 32.036 0.2 . 1 . . . . . 151 PRO CB . 51379 1 1502 . 1 . 1 129 129 LYS H H 1 8.045 0.01 . 1 . . . . . 152 LYS H . 51379 1 1503 . 1 . 1 129 129 LYS HA H 1 4.452 0.01 . 1 . . . . . 152 LYS HA . 51379 1 1504 . 1 . 1 129 129 LYS HB2 H 1 1.488 0.01 . 2 . . . . . 152 LYS HB2 . 51379 1 1505 . 1 . 1 129 129 LYS HB3 H 1 1.488 0.01 . 2 . . . . . 152 LYS HB3 . 51379 1 1506 . 1 . 1 129 129 LYS HG2 H 1 1.348 0.01 . 2 . . . . . 152 LYS HG2 . 51379 1 1507 . 1 . 1 129 129 LYS HG3 H 1 1.494 0.01 . 2 . . . . . 152 LYS HG3 . 51379 1 1508 . 1 . 1 129 129 LYS HD2 H 1 1.657 0.01 . 2 . . . . . 152 LYS HD2 . 51379 1 1509 . 1 . 1 129 129 LYS HD3 H 1 1.657 0.01 . 2 . . . . . 152 LYS HD3 . 51379 1 1510 . 1 . 1 129 129 LYS HE2 H 1 2.971 0.01 . 2 . . . . . 152 LYS HE2 . 51379 1 1511 . 1 . 1 129 129 LYS HE3 H 1 2.971 0.01 . 2 . . . . . 152 LYS HE3 . 51379 1 1512 . 1 . 1 129 129 LYS C C 13 175.568 0.2 . 1 . . . . . 152 LYS C . 51379 1 1513 . 1 . 1 129 129 LYS CA C 13 54.831 0.2 . 1 . . . . . 152 LYS CA . 51379 1 1514 . 1 . 1 129 129 LYS CB C 13 30.405 0.2 . 1 . . . . . 152 LYS CB . 51379 1 1515 . 1 . 1 129 129 LYS CG C 13 24.966 0.2 . 1 . . . . . 152 LYS CG . 51379 1 1516 . 1 . 1 129 129 LYS CD C 13 29.572 0.2 . 1 . . . . . 152 LYS CD . 51379 1 1517 . 1 . 1 129 129 LYS CE C 13 42.298 0.2 . 1 . . . . . 152 LYS CE . 51379 1 1518 . 1 . 1 129 129 LYS N N 15 112.192 0.2 . 1 . . . . . 152 LYS N . 51379 1 1519 . 1 . 1 130 130 GLY H H 1 7.878 0.01 . 1 . . . . . 153 GLY H . 51379 1 1520 . 1 . 1 130 130 GLY HA2 H 1 4.440 0.01 . 2 . . . . . 153 GLY HA2 . 51379 1 1521 . 1 . 1 130 130 GLY HA3 H 1 4.440 0.01 . 2 . . . . . 153 GLY HA3 . 51379 1 1522 . 1 . 1 130 130 GLY C C 13 172.141 0.2 . 1 . . . . . 153 GLY C . 51379 1 1523 . 1 . 1 130 130 GLY CA C 13 44.560 0.2 . 1 . . . . . 153 GLY CA . 51379 1 1524 . 1 . 1 130 130 GLY N N 15 106.565 0.2 . 1 . . . . . 153 GLY N . 51379 1 1525 . 1 . 1 131 131 LYS H H 1 6.668 0.01 . 1 . . . . . 154 LYS H . 51379 1 1526 . 1 . 1 131 131 LYS HA H 1 4.263 0.01 . 1 . . . . . 154 LYS HA . 51379 1 1527 . 1 . 1 131 131 LYS HB2 H 1 1.727 0.01 . 2 . . . . . 154 LYS HB2 . 51379 1 1528 . 1 . 1 131 131 LYS HB3 H 1 1.821 0.01 . 2 . . . . . 154 LYS HB3 . 51379 1 1529 . 1 . 1 131 131 LYS HG2 H 1 1.499 0.01 . 2 . . . . . 154 LYS HG2 . 51379 1 1530 . 1 . 1 131 131 LYS HG3 H 1 1.499 0.01 . 2 . . . . . 154 LYS HG3 . 51379 1 1531 . 1 . 1 131 131 LYS HE2 H 1 2.972 0.01 . 2 . . . . . 154 LYS HE2 . 51379 1 1532 . 1 . 1 131 131 LYS HE3 H 1 2.972 0.01 . 2 . . . . . 154 LYS HE3 . 51379 1 1533 . 1 . 1 131 131 LYS C C 13 177.646 0.2 . 1 . . . . . 154 LYS C . 51379 1 1534 . 1 . 1 131 131 LYS CA C 13 56.769 0.2 . 1 . . . . . 154 LYS CA . 51379 1 1535 . 1 . 1 131 131 LYS CB C 13 33.718 0.2 . 1 . . . . . 154 LYS CB . 51379 1 1536 . 1 . 1 131 131 LYS CG C 13 24.407 0.2 . 1 . . . . . 154 LYS CG . 51379 1 1537 . 1 . 1 131 131 LYS CE C 13 42.310 0.2 . 1 . . . . . 154 LYS CE . 51379 1 1538 . 1 . 1 131 131 LYS N N 15 119.632 0.2 . 1 . . . . . 154 LYS N . 51379 1 1539 . 1 . 1 132 132 GLY H H 1 8.230 0.01 . 1 . . . . . 155 GLY H . 51379 1 1540 . 1 . 1 132 132 GLY HA2 H 1 3.923 0.01 . 2 . . . . . 155 GLY HA2 . 51379 1 1541 . 1 . 1 132 132 GLY HA3 H 1 4.247 0.01 . 2 . . . . . 155 GLY HA3 . 51379 1 1542 . 1 . 1 132 132 GLY C C 13 174.054 0.2 . 1 . . . . . 155 GLY C . 51379 1 1543 . 1 . 1 132 132 GLY CA C 13 43.893 0.2 . 1 . . . . . 155 GLY CA . 51379 1 1544 . 1 . 1 132 132 GLY N N 15 109.687 0.2 . 1 . . . . . 155 GLY N . 51379 1 1545 . 1 . 1 133 133 ILE H H 1 8.334 0.01 . 1 . . . . . 156 ILE H . 51379 1 1546 . 1 . 1 133 133 ILE HA H 1 4.055 0.01 . 1 . . . . . 156 ILE HA . 51379 1 1547 . 1 . 1 133 133 ILE HB H 1 1.859 0.01 . 1 . . . . . 156 ILE HB . 51379 1 1548 . 1 . 1 133 133 ILE HG12 H 1 1.238 0.01 . 2 . . . . . 156 ILE HG12 . 51379 1 1549 . 1 . 1 133 133 ILE HG13 H 1 1.528 0.01 . 2 . . . . . 156 ILE HG13 . 51379 1 1550 . 1 . 1 133 133 ILE HG21 H 1 0.931 0.01 . 1 . . . . . 156 ILE MG . 51379 1 1551 . 1 . 1 133 133 ILE HG22 H 1 0.931 0.01 . 1 . . . . . 156 ILE MG . 51379 1 1552 . 1 . 1 133 133 ILE HG23 H 1 0.931 0.01 . 1 . . . . . 156 ILE MG . 51379 1 1553 . 1 . 1 133 133 ILE HD11 H 1 0.874 0.01 . 1 . . . . . 156 ILE MD . 51379 1 1554 . 1 . 1 133 133 ILE HD12 H 1 0.874 0.01 . 1 . . . . . 156 ILE MD . 51379 1 1555 . 1 . 1 133 133 ILE HD13 H 1 0.874 0.01 . 1 . . . . . 156 ILE MD . 51379 1 1556 . 1 . 1 133 133 ILE C C 13 176.872 0.2 . 1 . . . . . 156 ILE C . 51379 1 1557 . 1 . 1 133 133 ILE CA C 13 62.390 0.2 . 1 . . . . . 156 ILE CA . 51379 1 1558 . 1 . 1 133 133 ILE CB C 13 38.132 0.2 . 1 . . . . . 156 ILE CB . 51379 1 1559 . 1 . 1 133 133 ILE CG1 C 13 27.695 0.2 . 1 . . . . . 156 ILE CG1 . 51379 1 1560 . 1 . 1 133 133 ILE CG2 C 13 17.347 0.2 . 1 . . . . . 156 ILE CG2 . 51379 1 1561 . 1 . 1 133 133 ILE CD1 C 13 12.651 0.2 . 1 . . . . . 156 ILE CD1 . 51379 1 1562 . 1 . 1 133 133 ILE N N 15 121.180 0.2 . 1 . . . . . 156 ILE N . 51379 1 1563 . 1 . 1 134 134 LEU H H 1 8.522 0.01 . 1 . . . . . 157 LEU H . 51379 1 1564 . 1 . 1 134 134 LEU HA H 1 4.353 0.01 . 1 . . . . . 157 LEU HA . 51379 1 1565 . 1 . 1 134 134 LEU HB2 H 1 1.669 0.01 . 2 . . . . . 157 LEU HB2 . 51379 1 1566 . 1 . 1 134 134 LEU HB3 H 1 1.759 0.01 . 2 . . . . . 157 LEU HB3 . 51379 1 1567 . 1 . 1 134 134 LEU HD11 H 1 0.898 0.01 . 2 . . . . . 157 LEU MD1 . 51379 1 1568 . 1 . 1 134 134 LEU HD12 H 1 0.898 0.01 . 2 . . . . . 157 LEU MD1 . 51379 1 1569 . 1 . 1 134 134 LEU HD13 H 1 0.898 0.01 . 2 . . . . . 157 LEU MD1 . 51379 1 1570 . 1 . 1 134 134 LEU HD21 H 1 0.932 0.01 . 2 . . . . . 157 LEU MD2 . 51379 1 1571 . 1 . 1 134 134 LEU HD22 H 1 0.932 0.01 . 2 . . . . . 157 LEU MD2 . 51379 1 1572 . 1 . 1 134 134 LEU HD23 H 1 0.932 0.01 . 2 . . . . . 157 LEU MD2 . 51379 1 1573 . 1 . 1 134 134 LEU C C 13 176.923 0.2 . 1 . . . . . 157 LEU C . 51379 1 1574 . 1 . 1 134 134 LEU CA C 13 54.827 0.2 . 1 . . . . . 157 LEU CA . 51379 1 1575 . 1 . 1 134 134 LEU CB C 13 40.810 0.2 . 1 . . . . . 157 LEU CB . 51379 1 1576 . 1 . 1 134 134 LEU CD1 C 13 23.125 0.2 . 2 . . . . . 157 LEU CD1 . 51379 1 1577 . 1 . 1 134 134 LEU CD2 C 13 25.436 0.2 . 2 . . . . . 157 LEU CD2 . 51379 1 1578 . 1 . 1 134 134 LEU N N 15 123.271 0.2 . 1 . . . . . 157 LEU N . 51379 1 1579 . 1 . 1 135 135 GLY H H 1 7.710 0.01 . 1 . . . . . 158 GLY H . 51379 1 1580 . 1 . 1 135 135 GLY HA2 H 1 3.931 0.01 . 2 . . . . . 158 GLY HA2 . 51379 1 1581 . 1 . 1 135 135 GLY HA3 H 1 4.328 0.01 . 2 . . . . . 158 GLY HA3 . 51379 1 1582 . 1 . 1 135 135 GLY CA C 13 44.633 0.2 . 1 . . . . . 158 GLY CA . 51379 1 1583 . 1 . 1 135 135 GLY N N 15 109.626 0.2 . 1 . . . . . 158 GLY N . 51379 1 1584 . 1 . 1 136 136 ASN HA H 1 4.706 0.01 . 1 . . . . . 159 ASN HA . 51379 1 1585 . 1 . 1 136 136 ASN HB2 H 1 2.862 0.01 . 2 . . . . . 159 ASN HB2 . 51379 1 1586 . 1 . 1 136 136 ASN HB3 H 1 3.128 0.01 . 2 . . . . . 159 ASN HB3 . 51379 1 1587 . 1 . 1 136 136 ASN HD21 H 1 6.995 0.01 . 2 . . . . . 159 ASN HD21 . 51379 1 1588 . 1 . 1 136 136 ASN HD22 H 1 7.609 0.01 . 2 . . . . . 159 ASN HD22 . 51379 1 1589 . 1 . 1 136 136 ASN C C 13 177.117 0.2 . 1 . . . . . 159 ASN C . 51379 1 1590 . 1 . 1 136 136 ASN CA C 13 54.254 0.2 . 1 . . . . . 159 ASN CA . 51379 1 1591 . 1 . 1 136 136 ASN CB C 13 39.740 0.2 . 1 . . . . . 159 ASN CB . 51379 1 1592 . 1 . 1 136 136 ASN ND2 N 15 113.385 0.2 . 1 . . . . . 159 ASN ND2 . 51379 1 1593 . 1 . 1 137 137 ALA H H 1 8.214 0.01 . 1 . . . . . 160 ALA H . 51379 1 1594 . 1 . 1 137 137 ALA HA H 1 4.167 0.01 . 1 . . . . . 160 ALA HA . 51379 1 1595 . 1 . 1 137 137 ALA HB1 H 1 1.369 0.01 . 1 . . . . . 160 ALA MB . 51379 1 1596 . 1 . 1 137 137 ALA HB2 H 1 1.369 0.01 . 1 . . . . . 160 ALA MB . 51379 1 1597 . 1 . 1 137 137 ALA HB3 H 1 1.369 0.01 . 1 . . . . . 160 ALA MB . 51379 1 1598 . 1 . 1 137 137 ALA C C 13 178.561 0.2 . 1 . . . . . 160 ALA C . 51379 1 1599 . 1 . 1 137 137 ALA CA C 13 53.483 0.2 . 1 . . . . . 160 ALA CA . 51379 1 1600 . 1 . 1 137 137 ALA CB C 13 18.474 0.2 . 1 . . . . . 160 ALA CB . 51379 1 1601 . 1 . 1 137 137 ALA N N 15 122.884 0.2 . 1 . . . . . 160 ALA N . 51379 1 1602 . 1 . 1 138 138 ILE H H 1 9.350 0.01 . 1 . . . . . 161 ILE H . 51379 1 1603 . 1 . 1 138 138 ILE HA H 1 4.061 0.01 . 1 . . . . . 161 ILE HA . 51379 1 1604 . 1 . 1 138 138 ILE HB H 1 2.247 0.01 . 1 . . . . . 161 ILE HB . 51379 1 1605 . 1 . 1 138 138 ILE HG12 H 1 1.585 0.01 . 2 . . . . . 161 ILE HG12 . 51379 1 1606 . 1 . 1 138 138 ILE HG13 H 1 2.109 0.01 . 2 . . . . . 161 ILE HG13 . 51379 1 1607 . 1 . 1 138 138 ILE HG21 H 1 0.922 0.01 . 1 . . . . . 161 ILE MG . 51379 1 1608 . 1 . 1 138 138 ILE HG22 H 1 0.922 0.01 . 1 . . . . . 161 ILE MG . 51379 1 1609 . 1 . 1 138 138 ILE HG23 H 1 0.922 0.01 . 1 . . . . . 161 ILE MG . 51379 1 1610 . 1 . 1 138 138 ILE HD11 H 1 1.277 0.01 . 1 . . . . . 161 ILE MD . 51379 1 1611 . 1 . 1 138 138 ILE HD12 H 1 1.277 0.01 . 1 . . . . . 161 ILE MD . 51379 1 1612 . 1 . 1 138 138 ILE HD13 H 1 1.277 0.01 . 1 . . . . . 161 ILE MD . 51379 1 1613 . 1 . 1 138 138 ILE C C 13 178.583 0.2 . 1 . . . . . 161 ILE C . 51379 1 1614 . 1 . 1 138 138 ILE CA C 13 60.111 0.2 . 1 . . . . . 161 ILE CA . 51379 1 1615 . 1 . 1 138 138 ILE CB C 13 34.164 0.2 . 1 . . . . . 161 ILE CB . 51379 1 1616 . 1 . 1 138 138 ILE CG1 C 13 27.490 0.2 . 1 . . . . . 161 ILE CG1 . 51379 1 1617 . 1 . 1 138 138 ILE CG2 C 13 18.900 0.2 . 1 . . . . . 161 ILE CG2 . 51379 1 1618 . 1 . 1 138 138 ILE CD1 C 13 9.420 0.2 . 1 . . . . . 161 ILE CD1 . 51379 1 1619 . 1 . 1 138 138 ILE N N 15 122.745 0.2 . 1 . . . . . 161 ILE N . 51379 1 1620 . 1 . 1 139 139 LYS H H 1 9.647 0.01 . 1 . . . . . 162 LYS H . 51379 1 1621 . 1 . 1 139 139 LYS HA H 1 4.265 0.01 . 1 . . . . . 162 LYS HA . 51379 1 1622 . 1 . 1 139 139 LYS HB2 H 1 1.821 0.01 . 2 . . . . . 162 LYS HB2 . 51379 1 1623 . 1 . 1 139 139 LYS HB3 H 1 1.821 0.01 . 2 . . . . . 162 LYS HB3 . 51379 1 1624 . 1 . 1 139 139 LYS HG2 H 1 1.501 0.01 . 2 . . . . . 162 LYS HG2 . 51379 1 1625 . 1 . 1 139 139 LYS HG3 H 1 1.612 0.01 . 2 . . . . . 162 LYS HG3 . 51379 1 1626 . 1 . 1 139 139 LYS HD2 H 1 1.611 0.01 . 2 . . . . . 162 LYS HD2 . 51379 1 1627 . 1 . 1 139 139 LYS HD3 H 1 1.680 0.01 . 2 . . . . . 162 LYS HD3 . 51379 1 1628 . 1 . 1 139 139 LYS HE2 H 1 3.079 0.01 . 2 . . . . . 162 LYS HE2 . 51379 1 1629 . 1 . 1 139 139 LYS HE3 H 1 3.079 0.01 . 2 . . . . . 162 LYS HE3 . 51379 1 1630 . 1 . 1 139 139 LYS C C 13 176.719 0.2 . 1 . . . . . 162 LYS C . 51379 1 1631 . 1 . 1 139 139 LYS CA C 13 57.281 0.2 . 1 . . . . . 162 LYS CA . 51379 1 1632 . 1 . 1 139 139 LYS CB C 13 33.642 0.2 . 1 . . . . . 162 LYS CB . 51379 1 1633 . 1 . 1 139 139 LYS CG C 13 24.559 0.2 . 1 . . . . . 162 LYS CG . 51379 1 1634 . 1 . 1 139 139 LYS CD C 13 27.973 0.2 . 1 . . . . . 162 LYS CD . 51379 1 1635 . 1 . 1 139 139 LYS CE C 13 42.319 0.2 . 1 . . . . . 162 LYS CE . 51379 1 1636 . 1 . 1 139 139 LYS N N 15 127.560 0.2 . 1 . . . . . 162 LYS N . 51379 1 1637 . 1 . 1 140 140 TRP H H 1 6.625 0.01 . 1 . . . . . 163 TRP H . 51379 1 1638 . 1 . 1 140 140 TRP HA H 1 3.705 0.01 . 1 . . . . . 163 TRP HA . 51379 1 1639 . 1 . 1 140 140 TRP HB2 H 1 2.653 0.01 . 2 . . . . . 163 TRP HB2 . 51379 1 1640 . 1 . 1 140 140 TRP HB3 H 1 3.401 0.01 . 2 . . . . . 163 TRP HB3 . 51379 1 1641 . 1 . 1 140 140 TRP HD1 H 1 7.586 0.01 . 1 . . . . . 163 TRP HD1 . 51379 1 1642 . 1 . 1 140 140 TRP HE1 H 1 9.099 0.01 . 1 . . . . . 163 TRP HE1 . 51379 1 1643 . 1 . 1 140 140 TRP HE3 H 1 7.422 0.01 . 1 . . . . . 163 TRP HE3 . 51379 1 1644 . 1 . 1 140 140 TRP HZ2 H 1 7.581 0.01 . 1 . . . . . 163 TRP HZ2 . 51379 1 1645 . 1 . 1 140 140 TRP HH2 H 1 7.210 0.01 . 1 . . . . . 163 TRP HH2 . 51379 1 1646 . 1 . 1 140 140 TRP C C 13 175.038 0.2 . 1 . . . . . 163 TRP C . 51379 1 1647 . 1 . 1 140 140 TRP CA C 13 54.918 0.2 . 1 . . . . . 163 TRP CA . 51379 1 1648 . 1 . 1 140 140 TRP CB C 13 31.540 0.2 . 1 . . . . . 163 TRP CB . 51379 1 1649 . 1 . 1 140 140 TRP CD1 C 13 127.061 0.2 . 1 . . . . . 163 TRP CD1 . 51379 1 1650 . 1 . 1 140 140 TRP CE3 C 13 122.330 0.2 . 1 . . . . . 163 TRP CE3 . 51379 1 1651 . 1 . 1 140 140 TRP CZ2 C 13 115.528 0.2 . 1 . . . . . 163 TRP CZ2 . 51379 1 1652 . 1 . 1 140 140 TRP CH2 C 13 125.560 0.2 . 1 . . . . . 163 TRP CH2 . 51379 1 1653 . 1 . 1 140 140 TRP N N 15 111.663 0.2 . 1 . . . . . 163 TRP N . 51379 1 1654 . 1 . 1 140 140 TRP NE1 N 15 122.089 0.2 . 1 . . . . . 163 TRP NE1 . 51379 1 1655 . 1 . 1 141 141 ASN H H 1 5.915 0.01 . 1 . . . . . 164 ASN H . 51379 1 1656 . 1 . 1 141 141 ASN HA H 1 3.741 0.01 . 1 . . . . . 164 ASN HA . 51379 1 1657 . 1 . 1 141 141 ASN HB2 H 1 1.839 0.01 . 2 . . . . . 164 ASN HB2 . 51379 1 1658 . 1 . 1 141 141 ASN HB3 H 1 2.960 0.01 . 2 . . . . . 164 ASN HB3 . 51379 1 1659 . 1 . 1 141 141 ASN HD21 H 1 6.066 0.01 . 2 . . . . . 164 ASN HD21 . 51379 1 1660 . 1 . 1 141 141 ASN HD22 H 1 6.066 0.01 . 2 . . . . . 164 ASN HD22 . 51379 1 1661 . 1 . 1 141 141 ASN C C 13 172.580 0.2 . 1 . . . . . 164 ASN C . 51379 1 1662 . 1 . 1 141 141 ASN CA C 13 53.887 0.2 . 1 . . . . . 164 ASN CA . 51379 1 1663 . 1 . 1 141 141 ASN CB C 13 40.340 0.2 . 1 . . . . . 164 ASN CB . 51379 1 1664 . 1 . 1 141 141 ASN N N 15 116.493 0.2 . 1 . . . . . 164 ASN N . 51379 1 1665 . 1 . 1 141 141 ASN ND2 N 15 116.644 0.2 . 1 . . . . . 164 ASN ND2 . 51379 1 1666 . 1 . 1 142 142 PHE H H 1 8.045 0.01 . 1 . . . . . 165 PHE H . 51379 1 1667 . 1 . 1 142 142 PHE HA H 1 4.241 0.01 . 1 . . . . . 165 PHE HA . 51379 1 1668 . 1 . 1 142 142 PHE HB2 H 1 2.832 0.01 . 2 . . . . . 165 PHE HB2 . 51379 1 1669 . 1 . 1 142 142 PHE HB3 H 1 3.399 0.01 . 2 . . . . . 165 PHE HB3 . 51379 1 1670 . 1 . 1 142 142 PHE HD1 H 1 6.804 0.01 . 3 . . . . . 165 PHE HD1 . 51379 1 1671 . 1 . 1 142 142 PHE HD2 H 1 7.432 0.01 . 3 . . . . . 165 PHE HD2 . 51379 1 1672 . 1 . 1 142 142 PHE HE1 H 1 6.926 0.01 . 3 . . . . . 165 PHE HE1 . 51379 1 1673 . 1 . 1 142 142 PHE HE2 H 1 7.159 0.01 . 3 . . . . . 165 PHE HE2 . 51379 1 1674 . 1 . 1 142 142 PHE HZ H 1 7.972 0.01 . 1 . . . . . 165 PHE HZ . 51379 1 1675 . 1 . 1 142 142 PHE C C 13 179.033 0.2 . 1 . . . . . 165 PHE C . 51379 1 1676 . 1 . 1 142 142 PHE CA C 13 59.555 0.2 . 1 . . . . . 165 PHE CA . 51379 1 1677 . 1 . 1 142 142 PHE CB C 13 34.686 0.2 . 1 . . . . . 165 PHE CB . 51379 1 1678 . 1 . 1 142 142 PHE CD1 C 13 131.258 0.2 . 3 . . . . . 165 PHE CD1 . 51379 1 1679 . 1 . 1 142 142 PHE CD2 C 13 131.758 0.2 . 3 . . . . . 165 PHE CD2 . 51379 1 1680 . 1 . 1 142 142 PHE CE1 C 13 132.260 0.2 . 3 . . . . . 165 PHE CE1 . 51379 1 1681 . 1 . 1 142 142 PHE CE2 C 13 134.756 0.2 . 3 . . . . . 165 PHE CE2 . 51379 1 1682 . 1 . 1 142 142 PHE CZ C 13 129.259 0.2 . 1 . . . . . 165 PHE CZ . 51379 1 1683 . 1 . 1 142 142 PHE N N 15 114.098 0.2 . 1 . . . . . 165 PHE N . 51379 1 1684 . 1 . 1 143 143 THR H H 1 8.701 0.01 . 1 . . . . . 166 THR H . 51379 1 1685 . 1 . 1 143 143 THR HA H 1 4.377 0.01 . 1 . . . . . 166 THR HA . 51379 1 1686 . 1 . 1 143 143 THR HB H 1 4.696 0.01 . 1 . . . . . 166 THR HB . 51379 1 1687 . 1 . 1 143 143 THR HG21 H 1 1.259 0.01 . 1 . . . . . 166 THR MG . 51379 1 1688 . 1 . 1 143 143 THR HG22 H 1 1.259 0.01 . 1 . . . . . 166 THR MG . 51379 1 1689 . 1 . 1 143 143 THR HG23 H 1 1.259 0.01 . 1 . . . . . 166 THR MG . 51379 1 1690 . 1 . 1 143 143 THR C C 13 174.559 0.2 . 1 . . . . . 166 THR C . 51379 1 1691 . 1 . 1 143 143 THR CA C 13 65.920 0.2 . 1 . . . . . 166 THR CA . 51379 1 1692 . 1 . 1 143 143 THR CB C 13 69.229 0.2 . 1 . . . . . 166 THR CB . 51379 1 1693 . 1 . 1 143 143 THR CG2 C 13 21.108 0.2 . 1 . . . . . 166 THR CG2 . 51379 1 1694 . 1 . 1 143 143 THR N N 15 116.981 0.2 . 1 . . . . . 166 THR N . 51379 1 1695 . 1 . 1 144 144 LYS H H 1 9.243 0.01 . 1 . . . . . 167 LYS H . 51379 1 1696 . 1 . 1 144 144 LYS HA H 1 5.586 0.01 . 1 . . . . . 167 LYS HA . 51379 1 1697 . 1 . 1 144 144 LYS HB2 H 1 1.608 0.01 . 2 . . . . . 167 LYS HB2 . 51379 1 1698 . 1 . 1 144 144 LYS HB3 H 1 1.795 0.01 . 2 . . . . . 167 LYS HB3 . 51379 1 1699 . 1 . 1 144 144 LYS HG2 H 1 1.236 0.01 . 2 . . . . . 167 LYS HG2 . 51379 1 1700 . 1 . 1 144 144 LYS HG3 H 1 1.383 0.01 . 2 . . . . . 167 LYS HG3 . 51379 1 1701 . 1 . 1 144 144 LYS HE2 H 1 2.534 0.01 . 2 . . . . . 167 LYS HE2 . 51379 1 1702 . 1 . 1 144 144 LYS HE3 H 1 2.534 0.01 . 2 . . . . . 167 LYS HE3 . 51379 1 1703 . 1 . 1 144 144 LYS C C 13 173.595 0.2 . 1 . . . . . 167 LYS C . 51379 1 1704 . 1 . 1 144 144 LYS CA C 13 56.193 0.2 . 1 . . . . . 167 LYS CA . 51379 1 1705 . 1 . 1 144 144 LYS CB C 13 34.555 0.2 . 1 . . . . . 167 LYS CB . 51379 1 1706 . 1 . 1 144 144 LYS CG C 13 26.014 0.2 . 1 . . . . . 167 LYS CG . 51379 1 1707 . 1 . 1 144 144 LYS N N 15 127.271 0.2 . 1 . . . . . 167 LYS N . 51379 1 1708 . 1 . 1 145 145 PHE H H 1 9.644 0.01 . 1 . . . . . 168 PHE H . 51379 1 1709 . 1 . 1 145 145 PHE HA H 1 5.187 0.01 . 1 . . . . . 168 PHE HA . 51379 1 1710 . 1 . 1 145 145 PHE HB2 H 1 2.733 0.01 . 2 . . . . . 168 PHE HB2 . 51379 1 1711 . 1 . 1 145 145 PHE HB3 H 1 2.588 0.01 . 2 . . . . . 168 PHE HB3 . 51379 1 1712 . 1 . 1 145 145 PHE HD1 H 1 6.761 0.01 . 3 . . . . . 168 PHE HD1 . 51379 1 1713 . 1 . 1 145 145 PHE HD2 H 1 6.761 0.01 . 3 . . . . . 168 PHE HD2 . 51379 1 1714 . 1 . 1 145 145 PHE HE1 H 1 7.250 0.01 . 3 . . . . . 168 PHE HE1 . 51379 1 1715 . 1 . 1 145 145 PHE HE2 H 1 7.250 0.01 . 3 . . . . . 168 PHE HE2 . 51379 1 1716 . 1 . 1 145 145 PHE HZ H 1 6.805 0.01 . 1 . . . . . 168 PHE HZ . 51379 1 1717 . 1 . 1 145 145 PHE C C 13 173.929 0.2 . 1 . . . . . 168 PHE C . 51379 1 1718 . 1 . 1 145 145 PHE CA C 13 56.843 0.2 . 1 . . . . . 168 PHE CA . 51379 1 1719 . 1 . 1 145 145 PHE CB C 13 42.630 0.2 . 1 . . . . . 168 PHE CB . 51379 1 1720 . 1 . 1 145 145 PHE CD1 C 13 131.478 0.2 . 3 . . . . . 168 PHE CD1 . 51379 1 1721 . 1 . 1 145 145 PHE CD2 C 13 131.478 0.2 . 3 . . . . . 168 PHE CD2 . 51379 1 1722 . 1 . 1 145 145 PHE CE1 C 13 130.758 0.2 . 3 . . . . . 168 PHE CE1 . 51379 1 1723 . 1 . 1 145 145 PHE CE2 C 13 130.758 0.2 . 3 . . . . . 168 PHE CE2 . 51379 1 1724 . 1 . 1 145 145 PHE CZ C 13 127.260 0.2 . 1 . . . . . 168 PHE CZ . 51379 1 1725 . 1 . 1 145 145 PHE N N 15 121.096 0.2 . 1 . . . . . 168 PHE N . 51379 1 1726 . 1 . 1 146 146 LEU H H 1 9.089 0.01 . 1 . . . . . 169 LEU H . 51379 1 1727 . 1 . 1 146 146 LEU HA H 1 5.020 0.01 . 1 . . . . . 169 LEU HA . 51379 1 1728 . 1 . 1 146 146 LEU HB2 H 1 1.259 0.01 . 2 . . . . . 169 LEU HB2 . 51379 1 1729 . 1 . 1 146 146 LEU HB3 H 1 1.894 0.01 . 2 . . . . . 169 LEU HB3 . 51379 1 1730 . 1 . 1 146 146 LEU HG H 1 0.941 0.01 . 1 . . . . . 169 LEU HG . 51379 1 1731 . 1 . 1 146 146 LEU HD11 H 1 0.604 0.01 . 2 . . . . . 169 LEU MD1 . 51379 1 1732 . 1 . 1 146 146 LEU HD12 H 1 0.604 0.01 . 2 . . . . . 169 LEU MD1 . 51379 1 1733 . 1 . 1 146 146 LEU HD13 H 1 0.604 0.01 . 2 . . . . . 169 LEU MD1 . 51379 1 1734 . 1 . 1 146 146 LEU HD21 H 1 0.657 0.01 . 2 . . . . . 169 LEU MD2 . 51379 1 1735 . 1 . 1 146 146 LEU HD22 H 1 0.657 0.01 . 2 . . . . . 169 LEU MD2 . 51379 1 1736 . 1 . 1 146 146 LEU HD23 H 1 0.657 0.01 . 2 . . . . . 169 LEU MD2 . 51379 1 1737 . 1 . 1 146 146 LEU C C 13 173.582 0.2 . 1 . . . . . 169 LEU C . 51379 1 1738 . 1 . 1 146 146 LEU CA C 13 53.830 0.2 . 1 . . . . . 169 LEU CA . 51379 1 1739 . 1 . 1 146 146 LEU CB C 13 45.618 0.2 . 1 . . . . . 169 LEU CB . 51379 1 1740 . 1 . 1 146 146 LEU CD1 C 13 23.703 0.2 . 2 . . . . . 169 LEU CD1 . 51379 1 1741 . 1 . 1 146 146 LEU CD2 C 13 26.014 0.2 . 2 . . . . . 169 LEU CD2 . 51379 1 1742 . 1 . 1 146 146 LEU N N 15 125.197 0.2 . 1 . . . . . 169 LEU N . 51379 1 1743 . 1 . 1 147 147 ILE H H 1 9.577 0.01 . 1 . . . . . 170 ILE H . 51379 1 1744 . 1 . 1 147 147 ILE HA H 1 4.809 0.01 . 1 . . . . . 170 ILE HA . 51379 1 1745 . 1 . 1 147 147 ILE HB H 1 1.931 0.01 . 1 . . . . . 170 ILE HB . 51379 1 1746 . 1 . 1 147 147 ILE HG12 H 1 1.174 0.01 . 2 . . . . . 170 ILE HG12 . 51379 1 1747 . 1 . 1 147 147 ILE HG13 H 1 1.419 0.01 . 2 . . . . . 170 ILE HG13 . 51379 1 1748 . 1 . 1 147 147 ILE HG21 H 1 1.066 0.01 . 1 . . . . . 170 ILE MG . 51379 1 1749 . 1 . 1 147 147 ILE HG22 H 1 1.066 0.01 . 1 . . . . . 170 ILE MG . 51379 1 1750 . 1 . 1 147 147 ILE HG23 H 1 1.066 0.01 . 1 . . . . . 170 ILE MG . 51379 1 1751 . 1 . 1 147 147 ILE HD11 H 1 0.678 0.01 . 1 . . . . . 170 ILE MD . 51379 1 1752 . 1 . 1 147 147 ILE HD12 H 1 0.678 0.01 . 1 . . . . . 170 ILE MD . 51379 1 1753 . 1 . 1 147 147 ILE HD13 H 1 0.678 0.01 . 1 . . . . . 170 ILE MD . 51379 1 1754 . 1 . 1 147 147 ILE C C 13 175.018 0.2 . 1 . . . . . 170 ILE C . 51379 1 1755 . 1 . 1 147 147 ILE CA C 13 58.878 0.2 . 1 . . . . . 170 ILE CA . 51379 1 1756 . 1 . 1 147 147 ILE CB C 13 39.313 0.2 . 1 . . . . . 170 ILE CB . 51379 1 1757 . 1 . 1 147 147 ILE CG1 C 13 28.115 0.2 . 1 . . . . . 170 ILE CG1 . 51379 1 1758 . 1 . 1 147 147 ILE CG2 C 13 17.960 0.2 . 1 . . . . . 170 ILE CG2 . 51379 1 1759 . 1 . 1 147 147 ILE CD1 C 13 13.072 0.2 . 1 . . . . . 170 ILE CD1 . 51379 1 1760 . 1 . 1 147 147 ILE N N 15 131.272 0.2 . 1 . . . . . 170 ILE N . 51379 1 1761 . 1 . 1 148 148 ASP H H 1 8.725 0.01 . 1 . . . . . 171 ASP H . 51379 1 1762 . 1 . 1 148 148 ASP HA H 1 4.447 0.01 . 1 . . . . . 171 ASP HA . 51379 1 1763 . 1 . 1 148 148 ASP HB2 H 1 2.585 0.01 . 2 . . . . . 171 ASP HB2 . 51379 1 1764 . 1 . 1 148 148 ASP HB3 H 1 4.025 0.01 . 2 . . . . . 171 ASP HB3 . 51379 1 1765 . 1 . 1 148 148 ASP C C 13 178.301 0.2 . 1 . . . . . 171 ASP C . 51379 1 1766 . 1 . 1 148 148 ASP CA C 13 53.281 0.2 . 1 . . . . . 171 ASP CA . 51379 1 1767 . 1 . 1 148 148 ASP CB C 13 41.132 0.2 . 1 . . . . . 171 ASP CB . 51379 1 1768 . 1 . 1 148 148 ASP N N 15 125.638 0.2 . 1 . . . . . 171 ASP N . 51379 1 1769 . 1 . 1 149 149 LYS H H 1 8.763 0.01 . 1 . . . . . 172 LYS H . 51379 1 1770 . 1 . 1 149 149 LYS HA H 1 4.476 0.01 . 1 . . . . . 172 LYS HA . 51379 1 1771 . 1 . 1 149 149 LYS HB2 H 1 1.756 0.01 . 2 . . . . . 172 LYS HB2 . 51379 1 1772 . 1 . 1 149 149 LYS HB3 H 1 1.756 0.01 . 2 . . . . . 172 LYS HB3 . 51379 1 1773 . 1 . 1 149 149 LYS HG2 H 1 1.531 0.01 . 2 . . . . . 172 LYS HG2 . 51379 1 1774 . 1 . 1 149 149 LYS HG3 H 1 1.531 0.01 . 2 . . . . . 172 LYS HG3 . 51379 1 1775 . 1 . 1 149 149 LYS HE2 H 1 3.080 0.01 . 2 . . . . . 172 LYS HE2 . 51379 1 1776 . 1 . 1 149 149 LYS HE3 H 1 3.080 0.01 . 2 . . . . . 172 LYS HE3 . 51379 1 1777 . 1 . 1 149 149 LYS C C 13 178.420 0.2 . 1 . . . . . 172 LYS C . 51379 1 1778 . 1 . 1 149 149 LYS CA C 13 59.584 0.2 . 1 . . . . . 172 LYS CA . 51379 1 1779 . 1 . 1 149 149 LYS CB C 13 33.643 0.2 . 1 . . . . . 172 LYS CB . 51379 1 1780 . 1 . 1 149 149 LYS CG C 13 23.703 0.2 . 1 . . . . . 172 LYS CG . 51379 1 1781 . 1 . 1 149 149 LYS CE C 13 42.216 0.2 . 1 . . . . . 172 LYS CE . 51379 1 1782 . 1 . 1 149 149 LYS N N 15 116.229 0.2 . 1 . . . . . 172 LYS N . 51379 1 1783 . 1 . 1 150 150 ASN H H 1 8.429 0.01 . 1 . . . . . 173 ASN H . 51379 1 1784 . 1 . 1 150 150 ASN HA H 1 5.132 0.01 . 1 . . . . . 173 ASN HA . 51379 1 1785 . 1 . 1 150 150 ASN HB2 H 1 3.096 0.01 . 2 . . . . . 173 ASN HB2 . 51379 1 1786 . 1 . 1 150 150 ASN HB3 H 1 3.096 0.01 . 2 . . . . . 173 ASN HB3 . 51379 1 1787 . 1 . 1 150 150 ASN HD21 H 1 8.430 0.01 . 2 . . . . . 173 ASN HD21 . 51379 1 1788 . 1 . 1 150 150 ASN HD22 H 1 8.430 0.01 . 2 . . . . . 173 ASN HD22 . 51379 1 1789 . 1 . 1 150 150 ASN C C 13 176.080 0.2 . 1 . . . . . 173 ASN C . 51379 1 1790 . 1 . 1 150 150 ASN CA C 13 52.956 0.2 . 1 . . . . . 173 ASN CA . 51379 1 1791 . 1 . 1 150 150 ASN CB C 13 39.492 0.2 . 1 . . . . . 173 ASN CB . 51379 1 1792 . 1 . 1 150 150 ASN N N 15 115.384 0.2 . 1 . . . . . 173 ASN N . 51379 1 1793 . 1 . 1 150 150 ASN ND2 N 15 115.354 0.2 . 1 . . . . . 173 ASN ND2 . 51379 1 1794 . 1 . 1 151 151 GLY H H 1 8.666 0.01 . 1 . . . . . 174 GLY H . 51379 1 1795 . 1 . 1 151 151 GLY HA2 H 1 3.175 0.01 . 2 . . . . . 174 GLY HA2 . 51379 1 1796 . 1 . 1 151 151 GLY HA3 H 1 3.315 0.01 . 2 . . . . . 174 GLY HA3 . 51379 1 1797 . 1 . 1 151 151 GLY C C 13 172.839 0.2 . 1 . . . . . 174 GLY C . 51379 1 1798 . 1 . 1 151 151 GLY CA C 13 45.772 0.2 . 1 . . . . . 174 GLY CA . 51379 1 1799 . 1 . 1 151 151 GLY N N 15 111.797 0.2 . 1 . . . . . 174 GLY N . 51379 1 1800 . 1 . 1 152 152 VAL H H 1 8.264 0.01 . 1 . . . . . 175 VAL H . 51379 1 1801 . 1 . 1 152 152 VAL HA H 1 4.233 0.01 . 1 . . . . . 175 VAL HA . 51379 1 1802 . 1 . 1 152 152 VAL HB H 1 2.308 0.01 . 1 . . . . . 175 VAL HB . 51379 1 1803 . 1 . 1 152 152 VAL HG11 H 1 0.950 0.01 . 2 . . . . . 175 VAL MG1 . 51379 1 1804 . 1 . 1 152 152 VAL HG12 H 1 0.950 0.01 . 2 . . . . . 175 VAL MG1 . 51379 1 1805 . 1 . 1 152 152 VAL HG13 H 1 0.950 0.01 . 2 . . . . . 175 VAL MG1 . 51379 1 1806 . 1 . 1 152 152 VAL HG21 H 1 1.023 0.01 . 2 . . . . . 175 VAL MG2 . 51379 1 1807 . 1 . 1 152 152 VAL HG22 H 1 1.023 0.01 . 2 . . . . . 175 VAL MG2 . 51379 1 1808 . 1 . 1 152 152 VAL HG23 H 1 1.023 0.01 . 2 . . . . . 175 VAL MG2 . 51379 1 1809 . 1 . 1 152 152 VAL C C 13 176.317 0.2 . 1 . . . . . 175 VAL C . 51379 1 1810 . 1 . 1 152 152 VAL CA C 13 61.915 0.2 . 1 . . . . . 175 VAL CA . 51379 1 1811 . 1 . 1 152 152 VAL CB C 13 32.748 0.2 . 1 . . . . . 175 VAL CB . 51379 1 1812 . 1 . 1 152 152 VAL CG1 C 13 20.720 0.2 . 2 . . . . . 175 VAL CG1 . 51379 1 1813 . 1 . 1 152 152 VAL CG2 C 13 22.105 0.2 . 2 . . . . . 175 VAL CG2 . 51379 1 1814 . 1 . 1 152 152 VAL N N 15 123.313 0.2 . 1 . . . . . 175 VAL N . 51379 1 1815 . 1 . 1 153 153 VAL H H 1 8.162 0.01 . 1 . . . . . 176 VAL H . 51379 1 1816 . 1 . 1 153 153 VAL HA H 1 3.936 0.01 . 1 . . . . . 176 VAL HA . 51379 1 1817 . 1 . 1 153 153 VAL HB H 1 1.619 0.01 . 1 . . . . . 176 VAL HB . 51379 1 1818 . 1 . 1 153 153 VAL HG11 H 1 0.660 0.01 . 2 . . . . . 176 VAL MG1 . 51379 1 1819 . 1 . 1 153 153 VAL HG12 H 1 0.660 0.01 . 2 . . . . . 176 VAL MG1 . 51379 1 1820 . 1 . 1 153 153 VAL HG13 H 1 0.660 0.01 . 2 . . . . . 176 VAL MG1 . 51379 1 1821 . 1 . 1 153 153 VAL HG21 H 1 0.664 0.01 . 2 . . . . . 176 VAL MG2 . 51379 1 1822 . 1 . 1 153 153 VAL HG22 H 1 0.664 0.01 . 2 . . . . . 176 VAL MG2 . 51379 1 1823 . 1 . 1 153 153 VAL HG23 H 1 0.664 0.01 . 2 . . . . . 176 VAL MG2 . 51379 1 1824 . 1 . 1 153 153 VAL C C 13 176.158 0.2 . 1 . . . . . 176 VAL C . 51379 1 1825 . 1 . 1 153 153 VAL CA C 13 63.732 0.2 . 1 . . . . . 176 VAL CA . 51379 1 1826 . 1 . 1 153 153 VAL CB C 13 31.712 0.2 . 1 . . . . . 176 VAL CB . 51379 1 1827 . 1 . 1 153 153 VAL CG1 C 13 22.245 0.2 . 2 . . . . . 176 VAL CG1 . 51379 1 1828 . 1 . 1 153 153 VAL CG2 C 13 22.245 0.2 . 2 . . . . . 176 VAL CG2 . 51379 1 1829 . 1 . 1 153 153 VAL N N 15 125.415 0.2 . 1 . . . . . 176 VAL N . 51379 1 1830 . 1 . 1 154 154 VAL H H 1 9.223 0.01 . 1 . . . . . 177 VAL H . 51379 1 1831 . 1 . 1 154 154 VAL HA H 1 4.450 0.01 . 1 . . . . . 177 VAL HA . 51379 1 1832 . 1 . 1 154 154 VAL HB H 1 2.073 0.01 . 1 . . . . . 177 VAL HB . 51379 1 1833 . 1 . 1 154 154 VAL HG11 H 1 0.082 0.01 . 2 . . . . . 177 VAL MG1 . 51379 1 1834 . 1 . 1 154 154 VAL HG12 H 1 0.082 0.01 . 2 . . . . . 177 VAL MG1 . 51379 1 1835 . 1 . 1 154 154 VAL HG13 H 1 0.082 0.01 . 2 . . . . . 177 VAL MG1 . 51379 1 1836 . 1 . 1 154 154 VAL HG21 H 1 0.844 0.01 . 2 . . . . . 177 VAL MG2 . 51379 1 1837 . 1 . 1 154 154 VAL HG22 H 1 0.844 0.01 . 2 . . . . . 177 VAL MG2 . 51379 1 1838 . 1 . 1 154 154 VAL HG23 H 1 0.844 0.01 . 2 . . . . . 177 VAL MG2 . 51379 1 1839 . 1 . 1 154 154 VAL C C 13 175.392 0.2 . 1 . . . . . 177 VAL C . 51379 1 1840 . 1 . 1 154 154 VAL CA C 13 61.626 0.2 . 1 . . . . . 177 VAL CA . 51379 1 1841 . 1 . 1 154 154 VAL CB C 13 33.270 0.2 . 1 . . . . . 177 VAL CB . 51379 1 1842 . 1 . 1 154 154 VAL CG1 C 13 18.009 0.2 . 2 . . . . . 177 VAL CG1 . 51379 1 1843 . 1 . 1 154 154 VAL CG2 C 13 22.555 0.2 . 2 . . . . . 177 VAL CG2 . 51379 1 1844 . 1 . 1 154 154 VAL N N 15 122.528 0.2 . 1 . . . . . 177 VAL N . 51379 1 1845 . 1 . 1 155 155 LYS H H 1 7.504 0.01 . 1 . . . . . 178 LYS H . 51379 1 1846 . 1 . 1 155 155 LYS HA H 1 4.221 0.01 . 1 . . . . . 178 LYS HA . 51379 1 1847 . 1 . 1 155 155 LYS HB2 H 1 1.391 0.01 . 2 . . . . . 178 LYS HB2 . 51379 1 1848 . 1 . 1 155 155 LYS HB3 H 1 1.712 0.01 . 2 . . . . . 178 LYS HB3 . 51379 1 1849 . 1 . 1 155 155 LYS HG2 H 1 0.648 0.01 . 2 . . . . . 178 LYS HG2 . 51379 1 1850 . 1 . 1 155 155 LYS HG3 H 1 1.151 0.01 . 2 . . . . . 178 LYS HG3 . 51379 1 1851 . 1 . 1 155 155 LYS HD2 H 1 1.526 0.01 . 2 . . . . . 178 LYS HD2 . 51379 1 1852 . 1 . 1 155 155 LYS HD3 H 1 1.526 0.01 . 2 . . . . . 178 LYS HD3 . 51379 1 1853 . 1 . 1 155 155 LYS HE2 H 1 2.734 0.01 . 2 . . . . . 178 LYS HE2 . 51379 1 1854 . 1 . 1 155 155 LYS HE3 H 1 2.734 0.01 . 2 . . . . . 178 LYS HE3 . 51379 1 1855 . 1 . 1 155 155 LYS C C 13 172.357 0.2 . 1 . . . . . 178 LYS C . 51379 1 1856 . 1 . 1 155 155 LYS CA C 13 57.620 0.2 . 1 . . . . . 178 LYS CA . 51379 1 1857 . 1 . 1 155 155 LYS CB C 13 36.450 0.2 . 1 . . . . . 178 LYS CB . 51379 1 1858 . 1 . 1 155 155 LYS CG C 13 25.674 0.2 . 1 . . . . . 178 LYS CG . 51379 1 1859 . 1 . 1 155 155 LYS CD C 13 29.482 0.2 . 1 . . . . . 178 LYS CD . 51379 1 1860 . 1 . 1 155 155 LYS CE C 13 42.443 0.2 . 1 . . . . . 178 LYS CE . 51379 1 1861 . 1 . 1 155 155 LYS N N 15 120.424 0.2 . 1 . . . . . 178 LYS N . 51379 1 1862 . 1 . 1 156 156 ARG H H 1 7.674 0.01 . 1 . . . . . 179 ARG H . 51379 1 1863 . 1 . 1 156 156 ARG HA H 1 4.721 0.01 . 1 . . . . . 179 ARG HA . 51379 1 1864 . 1 . 1 156 156 ARG HB2 H 1 1.221 0.01 . 2 . . . . . 179 ARG HB2 . 51379 1 1865 . 1 . 1 156 156 ARG HB3 H 1 1.395 0.01 . 2 . . . . . 179 ARG HB3 . 51379 1 1866 . 1 . 1 156 156 ARG HG2 H 1 0.274 0.01 . 2 . . . . . 179 ARG HG2 . 51379 1 1867 . 1 . 1 156 156 ARG HG3 H 1 0.908 0.01 . 2 . . . . . 179 ARG HG3 . 51379 1 1868 . 1 . 1 156 156 ARG HD2 H 1 2.515 0.01 . 2 . . . . . 179 ARG HD2 . 51379 1 1869 . 1 . 1 156 156 ARG HD3 H 1 2.955 0.01 . 2 . . . . . 179 ARG HD3 . 51379 1 1870 . 1 . 1 156 156 ARG C C 13 173.617 0.2 . 1 . . . . . 179 ARG C . 51379 1 1871 . 1 . 1 156 156 ARG CA C 13 54.160 0.2 . 1 . . . . . 179 ARG CA . 51379 1 1872 . 1 . 1 156 156 ARG CB C 13 33.640 0.2 . 1 . . . . . 179 ARG CB . 51379 1 1873 . 1 . 1 156 156 ARG CG C 13 26.014 0.2 . 1 . . . . . 179 ARG CG . 51379 1 1874 . 1 . 1 156 156 ARG CD C 13 44.507 0.2 . 1 . . . . . 179 ARG CD . 51379 1 1875 . 1 . 1 156 156 ARG N N 15 124.075 0.2 . 1 . . . . . 179 ARG N . 51379 1 1876 . 1 . 1 157 157 TYR H H 1 9.545 0.01 . 1 . . . . . 180 TYR H . 51379 1 1877 . 1 . 1 157 157 TYR HA H 1 4.697 0.01 . 1 . . . . . 180 TYR HA . 51379 1 1878 . 1 . 1 157 157 TYR HB2 H 1 2.684 0.01 . 2 . . . . . 180 TYR HB2 . 51379 1 1879 . 1 . 1 157 157 TYR HB3 H 1 2.821 0.01 . 2 . . . . . 180 TYR HB3 . 51379 1 1880 . 1 . 1 157 157 TYR HD1 H 1 6.837 0.01 . 3 . . . . . 180 TYR HD1 . 51379 1 1881 . 1 . 1 157 157 TYR HD2 H 1 6.837 0.01 . 3 . . . . . 180 TYR HD2 . 51379 1 1882 . 1 . 1 157 157 TYR HE1 H 1 6.557 0.01 . 3 . . . . . 180 TYR HE1 . 51379 1 1883 . 1 . 1 157 157 TYR HE2 H 1 6.557 0.01 . 3 . . . . . 180 TYR HE2 . 51379 1 1884 . 1 . 1 157 157 TYR C C 13 175.636 0.2 . 1 . . . . . 180 TYR C . 51379 1 1885 . 1 . 1 157 157 TYR CA C 13 55.954 0.2 . 1 . . . . . 180 TYR CA . 51379 1 1886 . 1 . 1 157 157 TYR CB C 13 39.831 0.2 . 1 . . . . . 180 TYR CB . 51379 1 1887 . 1 . 1 157 157 TYR CD1 C 13 133.737 0.2 . 3 . . . . . 180 TYR CD1 . 51379 1 1888 . 1 . 1 157 157 TYR CD2 C 13 133.737 0.2 . 3 . . . . . 180 TYR CD2 . 51379 1 1889 . 1 . 1 157 157 TYR CE1 C 13 117.674 0.2 . 3 . . . . . 180 TYR CE1 . 51379 1 1890 . 1 . 1 157 157 TYR CE2 C 13 117.674 0.2 . 3 . . . . . 180 TYR CE2 . 51379 1 1891 . 1 . 1 157 157 TYR N N 15 127.200 0.2 . 1 . . . . . 180 TYR N . 51379 1 1892 . 1 . 1 158 158 GLY H H 1 9.369 0.01 . 1 . . . . . 181 GLY H . 51379 1 1893 . 1 . 1 158 158 GLY HA2 H 1 4.066 0.01 . 2 . . . . . 181 GLY HA2 . 51379 1 1894 . 1 . 1 158 158 GLY HA3 H 1 4.548 0.01 . 2 . . . . . 181 GLY HA3 . 51379 1 1895 . 1 . 1 158 158 GLY C C 13 172.317 0.2 . 1 . . . . . 181 GLY C . 51379 1 1896 . 1 . 1 158 158 GLY CA C 13 45.928 0.2 . 1 . . . . . 181 GLY CA . 51379 1 1897 . 1 . 1 158 158 GLY N N 15 110.662 0.2 . 1 . . . . . 181 GLY N . 51379 1 1898 . 1 . 1 159 159 PRO HA H 1 4.386 0.01 . 1 . . . . . 182 PRO HA . 51379 1 1899 . 1 . 1 159 159 PRO HB2 H 1 1.962 0.01 . 2 . . . . . 182 PRO HB2 . 51379 1 1900 . 1 . 1 159 159 PRO HB3 H 1 2.600 0.01 . 2 . . . . . 182 PRO HB3 . 51379 1 1901 . 1 . 1 159 159 PRO HG2 H 1 1.654 0.01 . 2 . . . . . 182 PRO HG2 . 51379 1 1902 . 1 . 1 159 159 PRO HG3 H 1 1.949 0.01 . 2 . . . . . 182 PRO HG3 . 51379 1 1903 . 1 . 1 159 159 PRO HD2 H 1 3.827 0.01 . 2 . . . . . 182 PRO HD2 . 51379 1 1904 . 1 . 1 159 159 PRO HD3 H 1 3.827 0.01 . 2 . . . . . 182 PRO HD3 . 51379 1 1905 . 1 . 1 159 159 PRO C C 13 178.209 0.2 . 1 . . . . . 182 PRO C . 51379 1 1906 . 1 . 1 159 159 PRO CA C 13 64.124 0.2 . 1 . . . . . 182 PRO CA . 51379 1 1907 . 1 . 1 159 159 PRO CB C 13 33.269 0.2 . 1 . . . . . 182 PRO CB . 51379 1 1908 . 1 . 1 159 159 PRO CG C 13 27.802 0.2 . 1 . . . . . 182 PRO CG . 51379 1 1909 . 1 . 1 159 159 PRO CD C 13 50.302 0.2 . 1 . . . . . 182 PRO CD . 51379 1 1910 . 1 . 1 160 160 MET H H 1 8.568 0.01 . 1 . . . . . 183 MET H . 51379 1 1911 . 1 . 1 160 160 MET HA H 1 4.498 0.01 . 1 . . . . . 183 MET HA . 51379 1 1912 . 1 . 1 160 160 MET HB2 H 1 2.109 0.01 . 2 . . . . . 183 MET HB2 . 51379 1 1913 . 1 . 1 160 160 MET HB3 H 1 2.242 0.01 . 2 . . . . . 183 MET HB3 . 51379 1 1914 . 1 . 1 160 160 MET HG2 H 1 2.730 0.01 . 2 . . . . . 183 MET HG2 . 51379 1 1915 . 1 . 1 160 160 MET HG3 H 1 2.730 0.01 . 2 . . . . . 183 MET HG3 . 51379 1 1916 . 1 . 1 160 160 MET HE1 H 1 2.087 0.01 . 1 . . . . . 183 MET ME . 51379 1 1917 . 1 . 1 160 160 MET HE2 H 1 2.087 0.01 . 1 . . . . . 183 MET ME . 51379 1 1918 . 1 . 1 160 160 MET HE3 H 1 2.087 0.01 . 1 . . . . . 183 MET ME . 51379 1 1919 . 1 . 1 160 160 MET C C 13 176.839 0.2 . 1 . . . . . 183 MET C . 51379 1 1920 . 1 . 1 160 160 MET CA C 13 54.852 0.2 . 1 . . . . . 183 MET CA . 51379 1 1921 . 1 . 1 160 160 MET CB C 13 31.073 0.2 . 1 . . . . . 183 MET CB . 51379 1 1922 . 1 . 1 160 160 MET CG C 13 32.915 0.2 . 1 . . . . . 183 MET CG . 51379 1 1923 . 1 . 1 160 160 MET CE C 13 17.236 0.2 . 1 . . . . . 183 MET CE . 51379 1 1924 . 1 . 1 160 160 MET N N 15 113.174 0.2 . 1 . . . . . 183 MET N . 51379 1 1925 . 1 . 1 161 161 GLU H H 1 7.950 0.01 . 1 . . . . . 184 GLU H . 51379 1 1926 . 1 . 1 161 161 GLU HA H 1 4.471 0.01 . 1 . . . . . 184 GLU HA . 51379 1 1927 . 1 . 1 161 161 GLU HB2 H 1 2.013 0.01 . 2 . . . . . 184 GLU HB2 . 51379 1 1928 . 1 . 1 161 161 GLU HB3 H 1 2.396 0.01 . 2 . . . . . 184 GLU HB3 . 51379 1 1929 . 1 . 1 161 161 GLU HG2 H 1 2.230 0.01 . 2 . . . . . 184 GLU HG2 . 51379 1 1930 . 1 . 1 161 161 GLU HG3 H 1 2.230 0.01 . 2 . . . . . 184 GLU HG3 . 51379 1 1931 . 1 . 1 161 161 GLU C C 13 175.385 0.2 . 1 . . . . . 184 GLU C . 51379 1 1932 . 1 . 1 161 161 GLU CA C 13 56.057 0.2 . 1 . . . . . 184 GLU CA . 51379 1 1933 . 1 . 1 161 161 GLU CB C 13 29.480 0.2 . 1 . . . . . 184 GLU CB . 51379 1 1934 . 1 . 1 161 161 GLU CG C 13 37.752 0.2 . 1 . . . . . 184 GLU CG . 51379 1 1935 . 1 . 1 161 161 GLU N N 15 122.412 0.2 . 1 . . . . . 184 GLU N . 51379 1 1936 . 1 . 1 162 162 GLU H H 1 9.089 0.01 . 1 . . . . . 185 GLU H . 51379 1 1937 . 1 . 1 162 162 GLU HA H 1 4.116 0.01 . 1 . . . . . 185 GLU HA . 51379 1 1938 . 1 . 1 162 162 GLU HB2 H 1 2.003 0.01 . 2 . . . . . 185 GLU HB2 . 51379 1 1939 . 1 . 1 162 162 GLU HB3 H 1 2.629 0.01 . 2 . . . . . 185 GLU HB3 . 51379 1 1940 . 1 . 1 162 162 GLU HG2 H 1 2.238 0.01 . 2 . . . . . 185 GLU HG2 . 51379 1 1941 . 1 . 1 162 162 GLU HG3 H 1 2.436 0.01 . 2 . . . . . 185 GLU HG3 . 51379 1 1942 . 1 . 1 162 162 GLU C C 13 174.595 0.2 . 1 . . . . . 185 GLU C . 51379 1 1943 . 1 . 1 162 162 GLU CA C 13 55.373 0.2 . 1 . . . . . 185 GLU CA . 51379 1 1944 . 1 . 1 162 162 GLU CB C 13 27.166 0.2 . 1 . . . . . 185 GLU CB . 51379 1 1945 . 1 . 1 162 162 GLU CG C 13 37.050 0.2 . 1 . . . . . 185 GLU CG . 51379 1 1946 . 1 . 1 162 162 GLU N N 15 129.558 0.2 . 1 . . . . . 185 GLU N . 51379 1 1947 . 1 . 1 163 163 PRO HA H 1 3.841 0.01 . 1 . . . . . 186 PRO HA . 51379 1 1948 . 1 . 1 163 163 PRO HB2 H 1 1.959 0.01 . 2 . . . . . 186 PRO HB2 . 51379 1 1949 . 1 . 1 163 163 PRO HB3 H 1 1.834 0.01 . 2 . . . . . 186 PRO HB3 . 51379 1 1950 . 1 . 1 163 163 PRO C C 13 176.736 0.2 . 1 . . . . . 186 PRO C . 51379 1 1951 . 1 . 1 163 163 PRO CA C 13 66.013 0.2 . 1 . . . . . 186 PRO CA . 51379 1 1952 . 1 . 1 163 163 PRO CB C 13 31.269 0.2 . 1 . . . . . 186 PRO CB . 51379 1 1953 . 1 . 1 164 164 LEU H H 1 8.540 0.01 . 1 . . . . . 187 LEU H . 51379 1 1954 . 1 . 1 164 164 LEU HA H 1 4.057 0.01 . 1 . . . . . 187 LEU HA . 51379 1 1955 . 1 . 1 164 164 LEU HB2 H 1 1.608 0.01 . 2 . . . . . 187 LEU HB2 . 51379 1 1956 . 1 . 1 164 164 LEU HB3 H 1 1.632 0.01 . 2 . . . . . 187 LEU HB3 . 51379 1 1957 . 1 . 1 164 164 LEU HD11 H 1 0.938 0.01 . 2 . . . . . 187 LEU MD1 . 51379 1 1958 . 1 . 1 164 164 LEU HD12 H 1 0.938 0.01 . 2 . . . . . 187 LEU MD1 . 51379 1 1959 . 1 . 1 164 164 LEU HD13 H 1 0.938 0.01 . 2 . . . . . 187 LEU MD1 . 51379 1 1960 . 1 . 1 164 164 LEU HD21 H 1 0.941 0.01 . 2 . . . . . 187 LEU MD2 . 51379 1 1961 . 1 . 1 164 164 LEU HD22 H 1 0.941 0.01 . 2 . . . . . 187 LEU MD2 . 51379 1 1962 . 1 . 1 164 164 LEU HD23 H 1 0.941 0.01 . 2 . . . . . 187 LEU MD2 . 51379 1 1963 . 1 . 1 164 164 LEU C C 13 180.389 0.2 . 1 . . . . . 187 LEU C . 51379 1 1964 . 1 . 1 164 164 LEU CA C 13 58.250 0.2 . 1 . . . . . 187 LEU CA . 51379 1 1965 . 1 . 1 164 164 LEU CB C 13 40.959 0.2 . 1 . . . . . 187 LEU CB . 51379 1 1966 . 1 . 1 164 164 LEU CD1 C 13 22.547 0.2 . 2 . . . . . 187 LEU CD1 . 51379 1 1967 . 1 . 1 164 164 LEU CD2 C 13 24.854 0.2 . 2 . . . . . 187 LEU CD2 . 51379 1 1968 . 1 . 1 164 164 LEU N N 15 112.813 0.2 . 1 . . . . . 187 LEU N . 51379 1 1969 . 1 . 1 165 165 VAL H H 1 8.384 0.01 . 1 . . . . . 188 VAL H . 51379 1 1970 . 1 . 1 165 165 VAL HA H 1 3.964 0.01 . 1 . . . . . 188 VAL HA . 51379 1 1971 . 1 . 1 165 165 VAL HB H 1 2.320 0.01 . 1 . . . . . 188 VAL HB . 51379 1 1972 . 1 . 1 165 165 VAL HG11 H 1 1.144 0.01 . 2 . . . . . 188 VAL MG1 . 51379 1 1973 . 1 . 1 165 165 VAL HG12 H 1 1.144 0.01 . 2 . . . . . 188 VAL MG1 . 51379 1 1974 . 1 . 1 165 165 VAL HG13 H 1 1.144 0.01 . 2 . . . . . 188 VAL MG1 . 51379 1 1975 . 1 . 1 165 165 VAL HG21 H 1 1.143 0.01 . 2 . . . . . 188 VAL MG2 . 51379 1 1976 . 1 . 1 165 165 VAL HG22 H 1 1.143 0.01 . 2 . . . . . 188 VAL MG2 . 51379 1 1977 . 1 . 1 165 165 VAL HG23 H 1 1.143 0.01 . 2 . . . . . 188 VAL MG2 . 51379 1 1978 . 1 . 1 165 165 VAL C C 13 178.158 0.2 . 1 . . . . . 188 VAL C . 51379 1 1979 . 1 . 1 165 165 VAL CA C 13 65.477 0.2 . 1 . . . . . 188 VAL CA . 51379 1 1980 . 1 . 1 165 165 VAL CB C 13 31.584 0.2 . 1 . . . . . 188 VAL CB . 51379 1 1981 . 1 . 1 165 165 VAL CG1 C 13 21.359 0.2 . 2 . . . . . 188 VAL CG1 . 51379 1 1982 . 1 . 1 165 165 VAL CG2 C 13 21.359 0.2 . 2 . . . . . 188 VAL CG2 . 51379 1 1983 . 1 . 1 165 165 VAL N N 15 119.174 0.2 . 1 . . . . . 188 VAL N . 51379 1 1984 . 1 . 1 166 166 ILE H H 1 7.888 0.01 . 1 . . . . . 189 ILE H . 51379 1 1985 . 1 . 1 166 166 ILE HA H 1 3.389 0.01 . 1 . . . . . 189 ILE HA . 51379 1 1986 . 1 . 1 166 166 ILE HB H 1 1.604 0.01 . 1 . . . . . 189 ILE HB . 51379 1 1987 . 1 . 1 166 166 ILE HG12 H 1 1.003 0.01 . 2 . . . . . 189 ILE HG12 . 51379 1 1988 . 1 . 1 166 166 ILE HG13 H 1 -0.905 0.01 . 2 . . . . . 189 ILE HG13 . 51379 1 1989 . 1 . 1 166 166 ILE HG21 H 1 0.722 0.01 . 1 . . . . . 189 ILE MG . 51379 1 1990 . 1 . 1 166 166 ILE HG22 H 1 0.722 0.01 . 1 . . . . . 189 ILE MG . 51379 1 1991 . 1 . 1 166 166 ILE HG23 H 1 0.722 0.01 . 1 . . . . . 189 ILE MG . 51379 1 1992 . 1 . 1 166 166 ILE HD11 H 1 0.306 0.01 . 1 . . . . . 189 ILE MD . 51379 1 1993 . 1 . 1 166 166 ILE HD12 H 1 0.306 0.01 . 1 . . . . . 189 ILE MD . 51379 1 1994 . 1 . 1 166 166 ILE HD13 H 1 0.306 0.01 . 1 . . . . . 189 ILE MD . 51379 1 1995 . 1 . 1 166 166 ILE C C 13 178.136 0.2 . 1 . . . . . 189 ILE C . 51379 1 1996 . 1 . 1 166 166 ILE CA C 13 63.152 0.2 . 1 . . . . . 189 ILE CA . 51379 1 1997 . 1 . 1 166 166 ILE CB C 13 37.816 0.2 . 1 . . . . . 189 ILE CB . 51379 1 1998 . 1 . 1 166 166 ILE CG1 C 13 26.592 0.2 . 1 . . . . . 189 ILE CG1 . 51379 1 1999 . 1 . 1 166 166 ILE CG2 C 13 15.825 0.2 . 1 . . . . . 189 ILE CG2 . 51379 1 2000 . 1 . 1 166 166 ILE CD1 C 13 13.841 0.2 . 1 . . . . . 189 ILE CD1 . 51379 1 2001 . 1 . 1 166 166 ILE N N 15 120.844 0.2 . 1 . . . . . 189 ILE N . 51379 1 2002 . 1 . 1 167 167 GLU H H 1 7.426 0.01 . 1 . . . . . 190 GLU H . 51379 1 2003 . 1 . 1 167 167 GLU HA H 1 3.526 0.01 . 1 . . . . . 190 GLU HA . 51379 1 2004 . 1 . 1 167 167 GLU HB2 H 1 2.077 0.01 . 2 . . . . . 190 GLU HB2 . 51379 1 2005 . 1 . 1 167 167 GLU HB3 H 1 2.247 0.01 . 2 . . . . . 190 GLU HB3 . 51379 1 2006 . 1 . 1 167 167 GLU HG2 H 1 2.288 0.01 . 2 . . . . . 190 GLU HG2 . 51379 1 2007 . 1 . 1 167 167 GLU HG3 H 1 2.471 0.01 . 2 . . . . . 190 GLU HG3 . 51379 1 2008 . 1 . 1 167 167 GLU C C 13 177.756 0.2 . 1 . . . . . 190 GLU C . 51379 1 2009 . 1 . 1 167 167 GLU CA C 13 60.090 0.2 . 1 . . . . . 190 GLU CA . 51379 1 2010 . 1 . 1 167 167 GLU CB C 13 29.783 0.2 . 1 . . . . . 190 GLU CB . 51379 1 2011 . 1 . 1 167 167 GLU CG C 13 36.381 0.2 . 1 . . . . . 190 GLU CG . 51379 1 2012 . 1 . 1 167 167 GLU N N 15 118.217 0.2 . 1 . . . . . 190 GLU N . 51379 1 2013 . 1 . 1 168 168 LYS H H 1 7.447 0.01 . 1 . . . . . 191 LYS H . 51379 1 2014 . 1 . 1 168 168 LYS HA H 1 4.102 0.01 . 1 . . . . . 191 LYS HA . 51379 1 2015 . 1 . 1 168 168 LYS HB2 H 1 1.927 0.01 . 2 . . . . . 191 LYS HB2 . 51379 1 2016 . 1 . 1 168 168 LYS HB3 H 1 1.927 0.01 . 2 . . . . . 191 LYS HB3 . 51379 1 2017 . 1 . 1 168 168 LYS HG2 H 1 1.563 0.01 . 2 . . . . . 191 LYS HG2 . 51379 1 2018 . 1 . 1 168 168 LYS HG3 H 1 1.563 0.01 . 2 . . . . . 191 LYS HG3 . 51379 1 2019 . 1 . 1 168 168 LYS HD2 H 1 1.765 0.01 . 2 . . . . . 191 LYS HD2 . 51379 1 2020 . 1 . 1 168 168 LYS HD3 H 1 1.765 0.01 . 2 . . . . . 191 LYS HD3 . 51379 1 2021 . 1 . 1 168 168 LYS HE2 H 1 3.093 0.01 . 2 . . . . . 191 LYS HE2 . 51379 1 2022 . 1 . 1 168 168 LYS HE3 H 1 3.093 0.01 . 2 . . . . . 191 LYS HE3 . 51379 1 2023 . 1 . 1 168 168 LYS C C 13 177.150 0.2 . 1 . . . . . 191 LYS C . 51379 1 2024 . 1 . 1 168 168 LYS CA C 13 58.370 0.2 . 1 . . . . . 191 LYS CA . 51379 1 2025 . 1 . 1 168 168 LYS CB C 13 32.172 0.2 . 1 . . . . . 191 LYS CB . 51379 1 2026 . 1 . 1 168 168 LYS CG C 13 24.456 0.2 . 1 . . . . . 191 LYS CG . 51379 1 2027 . 1 . 1 168 168 LYS CD C 13 28.900 0.2 . 1 . . . . . 191 LYS CD . 51379 1 2028 . 1 . 1 168 168 LYS N N 15 114.663 0.2 . 1 . . . . . 191 LYS N . 51379 1 2029 . 1 . 1 169 169 ASP H H 1 7.680 0.01 . 1 . . . . . 192 ASP H . 51379 1 2030 . 1 . 1 169 169 ASP HA H 1 4.898 0.01 . 1 . . . . . 192 ASP HA . 51379 1 2031 . 1 . 1 169 169 ASP HB2 H 1 2.770 0.01 . 2 . . . . . 192 ASP HB2 . 51379 1 2032 . 1 . 1 169 169 ASP HB3 H 1 2.770 0.01 . 2 . . . . . 192 ASP HB3 . 51379 1 2033 . 1 . 1 169 169 ASP C C 13 176.572 0.2 . 1 . . . . . 192 ASP C . 51379 1 2034 . 1 . 1 169 169 ASP CA C 13 55.495 0.2 . 1 . . . . . 192 ASP CA . 51379 1 2035 . 1 . 1 169 169 ASP CB C 13 42.442 0.2 . 1 . . . . . 192 ASP CB . 51379 1 2036 . 1 . 1 169 169 ASP N N 15 116.753 0.2 . 1 . . . . . 192 ASP N . 51379 1 2037 . 1 . 1 170 170 LEU H H 1 7.207 0.01 . 1 . . . . . 193 LEU H . 51379 1 2038 . 1 . 1 170 170 LEU HA H 1 3.838 0.01 . 1 . . . . . 193 LEU HA . 51379 1 2039 . 1 . 1 170 170 LEU HB2 H 1 0.975 0.01 . 2 . . . . . 193 LEU HB2 . 51379 1 2040 . 1 . 1 170 170 LEU HB3 H 1 1.575 0.01 . 2 . . . . . 193 LEU HB3 . 51379 1 2041 . 1 . 1 170 170 LEU HG H 1 1.723 0.01 . 1 . . . . . 193 LEU HG . 51379 1 2042 . 1 . 1 170 170 LEU HD11 H 1 0.479 0.01 . 2 . . . . . 193 LEU MD1 . 51379 1 2043 . 1 . 1 170 170 LEU HD12 H 1 0.479 0.01 . 2 . . . . . 193 LEU MD1 . 51379 1 2044 . 1 . 1 170 170 LEU HD13 H 1 0.479 0.01 . 2 . . . . . 193 LEU MD1 . 51379 1 2045 . 1 . 1 170 170 LEU HD21 H 1 0.361 0.01 . 2 . . . . . 193 LEU MD2 . 51379 1 2046 . 1 . 1 170 170 LEU HD22 H 1 0.361 0.01 . 2 . . . . . 193 LEU MD2 . 51379 1 2047 . 1 . 1 170 170 LEU HD23 H 1 0.361 0.01 . 2 . . . . . 193 LEU MD2 . 51379 1 2048 . 1 . 1 170 170 LEU C C 13 174.443 0.2 . 1 . . . . . 193 LEU C . 51379 1 2049 . 1 . 1 170 170 LEU CA C 13 59.244 0.2 . 1 . . . . . 193 LEU CA . 51379 1 2050 . 1 . 1 170 170 LEU CB C 13 39.652 0.2 . 1 . . . . . 193 LEU CB . 51379 1 2051 . 1 . 1 170 170 LEU CG C 13 26.014 0.2 . 1 . . . . . 193 LEU CG . 51379 1 2052 . 1 . 1 170 170 LEU CD1 C 13 23.642 0.2 . 2 . . . . . 193 LEU CD1 . 51379 1 2053 . 1 . 1 170 170 LEU CD2 C 13 25.468 0.2 . 2 . . . . . 193 LEU CD2 . 51379 1 2054 . 1 . 1 170 170 LEU N N 15 117.489 0.2 . 1 . . . . . 193 LEU N . 51379 1 2055 . 1 . 1 171 171 PRO HA H 1 4.278 0.01 . 1 . . . . . 194 PRO HA . 51379 1 2056 . 1 . 1 171 171 PRO HB2 H 1 1.607 0.01 . 2 . . . . . 194 PRO HB2 . 51379 1 2057 . 1 . 1 171 171 PRO HB3 H 1 2.446 0.01 . 2 . . . . . 194 PRO HB3 . 51379 1 2058 . 1 . 1 171 171 PRO HG2 H 1 2.042 0.01 . 2 . . . . . 194 PRO HG2 . 51379 1 2059 . 1 . 1 171 171 PRO HG3 H 1 2.042 0.01 . 2 . . . . . 194 PRO HG3 . 51379 1 2060 . 1 . 1 171 171 PRO HD2 H 1 3.253 0.01 . 2 . . . . . 194 PRO HD2 . 51379 1 2061 . 1 . 1 171 171 PRO HD3 H 1 3.835 0.01 . 2 . . . . . 194 PRO HD3 . 51379 1 2062 . 1 . 1 171 171 PRO C C 13 177.641 0.2 . 1 . . . . . 194 PRO C . 51379 1 2063 . 1 . 1 171 171 PRO CA C 13 66.024 0.2 . 1 . . . . . 194 PRO CA . 51379 1 2064 . 1 . 1 171 171 PRO CB C 13 31.265 0.2 . 1 . . . . . 194 PRO CB . 51379 1 2065 . 1 . 1 171 171 PRO CG C 13 28.776 0.2 . 1 . . . . . 194 PRO CG . 51379 1 2066 . 1 . 1 171 171 PRO CD C 13 50.876 0.2 . 1 . . . . . 194 PRO CD . 51379 1 2067 . 1 . 1 172 172 HIS H H 1 7.224 0.01 . 1 . . . . . 195 HIS H . 51379 1 2068 . 1 . 1 172 172 HIS HA H 1 4.298 0.01 . 1 . . . . . 195 HIS HA . 51379 1 2069 . 1 . 1 172 172 HIS HB2 H 1 2.633 0.01 . 2 . . . . . 195 HIS HB2 . 51379 1 2070 . 1 . 1 172 172 HIS HB3 H 1 2.633 0.01 . 2 . . . . . 195 HIS HB3 . 51379 1 2071 . 1 . 1 172 172 HIS HD1 H 1 7.222 0.01 . 1 . . . . . 195 HIS HD1 . 51379 1 2072 . 1 . 1 172 172 HIS C C 13 175.448 0.2 . 1 . . . . . 195 HIS C . 51379 1 2073 . 1 . 1 172 172 HIS CA C 13 56.816 0.2 . 1 . . . . . 195 HIS CA . 51379 1 2074 . 1 . 1 172 172 HIS CB C 13 29.248 0.2 . 1 . . . . . 195 HIS CB . 51379 1 2075 . 1 . 1 172 172 HIS N N 15 112.932 0.2 . 1 . . . . . 195 HIS N . 51379 1 2076 . 1 . 1 173 173 TYR H H 1 7.887 0.01 . 1 . . . . . 196 TYR H . 51379 1 2077 . 1 . 1 173 173 TYR HA H 1 4.616 0.01 . 1 . . . . . 196 TYR HA . 51379 1 2078 . 1 . 1 173 173 TYR HB2 H 1 2.313 0.01 . 2 . . . . . 196 TYR HB2 . 51379 1 2079 . 1 . 1 173 173 TYR HB3 H 1 3.404 0.01 . 2 . . . . . 196 TYR HB3 . 51379 1 2080 . 1 . 1 173 173 TYR HD1 H 1 7.257 0.01 . 3 . . . . . 196 TYR HD1 . 51379 1 2081 . 1 . 1 173 173 TYR HD2 H 1 7.257 0.01 . 3 . . . . . 196 TYR HD2 . 51379 1 2082 . 1 . 1 173 173 TYR HE1 H 1 6.824 0.01 . 3 . . . . . 196 TYR HE1 . 51379 1 2083 . 1 . 1 173 173 TYR HE2 H 1 6.824 0.01 . 3 . . . . . 196 TYR HE2 . 51379 1 2084 . 1 . 1 173 173 TYR C C 13 175.049 0.2 . 1 . . . . . 196 TYR C . 51379 1 2085 . 1 . 1 173 173 TYR CA C 13 59.049 0.2 . 1 . . . . . 196 TYR CA . 51379 1 2086 . 1 . 1 173 173 TYR CB C 13 40.623 0.2 . 1 . . . . . 196 TYR CB . 51379 1 2087 . 1 . 1 173 173 TYR CD1 C 13 133.577 0.2 . 3 . . . . . 196 TYR CD1 . 51379 1 2088 . 1 . 1 173 173 TYR CD2 C 13 133.577 0.2 . 3 . . . . . 196 TYR CD2 . 51379 1 2089 . 1 . 1 173 173 TYR CE1 C 13 118.290 0.2 . 3 . . . . . 196 TYR CE1 . 51379 1 2090 . 1 . 1 173 173 TYR CE2 C 13 118.290 0.2 . 3 . . . . . 196 TYR CE2 . 51379 1 2091 . 1 . 1 173 173 TYR N N 15 115.402 0.2 . 1 . . . . . 196 TYR N . 51379 1 2092 . 1 . 1 174 174 PHE H H 1 6.890 0.01 . 1 . . . . . 197 PHE H . 51379 1 2093 . 1 . 1 174 174 PHE HA H 1 4.674 0.01 . 1 . . . . . 197 PHE HA . 51379 1 2094 . 1 . 1 174 174 PHE HB2 H 1 2.940 0.01 . 2 . . . . . 197 PHE HB2 . 51379 1 2095 . 1 . 1 174 174 PHE HB3 H 1 3.540 0.01 . 2 . . . . . 197 PHE HB3 . 51379 1 2096 . 1 . 1 174 174 PHE HD1 H 1 7.048 0.01 . 3 . . . . . 197 PHE HD1 . 51379 1 2097 . 1 . 1 174 174 PHE HD2 H 1 7.048 0.01 . 3 . . . . . 197 PHE HD2 . 51379 1 2098 . 1 . 1 174 174 PHE HE1 H 1 7.377 0.01 . 3 . . . . . 197 PHE HE1 . 51379 1 2099 . 1 . 1 174 174 PHE HE2 H 1 7.377 0.01 . 3 . . . . . 197 PHE HE2 . 51379 1 2100 . 1 . 1 174 174 PHE HZ H 1 6.868 0.01 . 1 . . . . . 197 PHE HZ . 51379 1 2101 . 1 . 1 174 174 PHE C C 13 181.663 0.2 . 1 . . . . . 197 PHE C . 51379 1 2102 . 1 . 1 174 174 PHE CA C 13 59.203 0.2 . 1 . . . . . 197 PHE CA . 51379 1 2103 . 1 . 1 174 174 PHE CB C 13 39.861 0.2 . 1 . . . . . 197 PHE CB . 51379 1 2104 . 1 . 1 174 174 PHE CD1 C 13 130.066 0.2 . 3 . . . . . 197 PHE CD1 . 51379 1 2105 . 1 . 1 174 174 PHE CD2 C 13 130.066 0.2 . 3 . . . . . 197 PHE CD2 . 51379 1 2106 . 1 . 1 174 174 PHE CE1 C 13 131.360 0.2 . 3 . . . . . 197 PHE CE1 . 51379 1 2107 . 1 . 1 174 174 PHE CE2 C 13 131.360 0.2 . 3 . . . . . 197 PHE CE2 . 51379 1 2108 . 1 . 1 174 174 PHE CZ C 13 128.759 0.2 . 1 . . . . . 197 PHE CZ . 51379 1 2109 . 1 . 1 174 174 PHE N N 15 122.479 0.2 . 1 . . . . . 197 PHE N . 51379 1 stop_ save_