data_52205 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52205 _Entry.Title ; MrkA monomer of Klebsiella pneumoniae type III fimbriae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-11-10 _Entry.Accession_date 2023-11-10 _Entry.Last_release_date 2023-11-10 _Entry.Original_release_date 2023-11-10 _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 'Major structural component of type III fimbriae of Klebsiella pneumoniae' _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 Valentina Monaci . . . . 52205 2 Francesca Cantini . . . . 52205 3 Francesca Micoli . . . . 52205 4 Gianmarco Gasperini . . . . 52205 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52205 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 716 52205 '15N chemical shifts' 201 52205 '1H chemical shifts' 1173 52205 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-08-05 . original BMRB . 52205 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52205 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39018011 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N assignment of self-complemented MrkA protein antigen from Klebsiella pneumoniae ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2024 _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 Valentina Monaci V. . . . 52205 1 2 Gianmarco Gasperini G. . . . 52205 1 3 Lucia Banci L. . . . 52205 1 4 Francesca Micoli F. . . . 52205 1 5 Francesca Cantini F. . . . 52205 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52205 _Assembly.ID 1 _Assembly.Name 'MrkA monomer' _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 'MrkA monomer' 1 $entity_1 . . yes native no no . . . 52205 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52205 _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 ; MGSHHHHHHHHHHGSCTVSV NGQGSDANVYLSPVTLTEVK AAAADTYLKPKSFTIDVSNC QAADGTKQDDVSKLGVNWTG GNLLAGATSKQQGYLANTEA SGAQNIQLVLSTDNATALTN KIIPGDSTQPKAKGDASAVA DGARFTYYVGYATSAPTTVT TGVVNSYATYEITYQGGGGG GADTTVGGGQVNFFGKVTDV S ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 201 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The polypeptide is a recombinant protein: his-tag at N-terminus (10 histidine), 6 glycine in the proximity of C-terminus, ADTTVGGGQVNFFGKVTDVS moved to C-terminus. ; _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 'Biofilm formation and establishment of infection' 52205 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 . MET . 52205 1 2 . GLY . 52205 1 3 . SER . 52205 1 4 . HIS . 52205 1 5 . HIS . 52205 1 6 . HIS . 52205 1 7 . HIS . 52205 1 8 . HIS . 52205 1 9 . HIS . 52205 1 10 . HIS . 52205 1 11 . HIS . 52205 1 12 . HIS . 52205 1 13 . HIS . 52205 1 14 . GLY . 52205 1 15 . SER . 52205 1 16 . CYS . 52205 1 17 . THR . 52205 1 18 . VAL . 52205 1 19 . SER . 52205 1 20 . VAL . 52205 1 21 . ASN . 52205 1 22 . GLY . 52205 1 23 . GLN . 52205 1 24 . GLY . 52205 1 25 . SER . 52205 1 26 . ASP . 52205 1 27 . ALA . 52205 1 28 . ASN . 52205 1 29 . VAL . 52205 1 30 . TYR . 52205 1 31 . LEU . 52205 1 32 . SER . 52205 1 33 . PRO . 52205 1 34 . VAL . 52205 1 35 . THR . 52205 1 36 . LEU . 52205 1 37 . THR . 52205 1 38 . GLU . 52205 1 39 . VAL . 52205 1 40 . LYS . 52205 1 41 . ALA . 52205 1 42 . ALA . 52205 1 43 . ALA . 52205 1 44 . ALA . 52205 1 45 . ASP . 52205 1 46 . THR . 52205 1 47 . TYR . 52205 1 48 . LEU . 52205 1 49 . LYS . 52205 1 50 . PRO . 52205 1 51 . LYS . 52205 1 52 . SER . 52205 1 53 . PHE . 52205 1 54 . THR . 52205 1 55 . ILE . 52205 1 56 . ASP . 52205 1 57 . VAL . 52205 1 58 . SER . 52205 1 59 . ASN . 52205 1 60 . CYS . 52205 1 61 . GLN . 52205 1 62 . ALA . 52205 1 63 . ALA . 52205 1 64 . ASP . 52205 1 65 . GLY . 52205 1 66 . THR . 52205 1 67 . LYS . 52205 1 68 . GLN . 52205 1 69 . ASP . 52205 1 70 . ASP . 52205 1 71 . VAL . 52205 1 72 . SER . 52205 1 73 . LYS . 52205 1 74 . LEU . 52205 1 75 . GLY . 52205 1 76 . VAL . 52205 1 77 . ASN . 52205 1 78 . TRP . 52205 1 79 . THR . 52205 1 80 . GLY . 52205 1 81 . GLY . 52205 1 82 . ASN . 52205 1 83 . LEU . 52205 1 84 . LEU . 52205 1 85 . ALA . 52205 1 86 . GLY . 52205 1 87 . ALA . 52205 1 88 . THR . 52205 1 89 . SER . 52205 1 90 . LYS . 52205 1 91 . GLN . 52205 1 92 . GLN . 52205 1 93 . GLY . 52205 1 94 . TYR . 52205 1 95 . LEU . 52205 1 96 . ALA . 52205 1 97 . ASN . 52205 1 98 . THR . 52205 1 99 . GLU . 52205 1 100 . ALA . 52205 1 101 . SER . 52205 1 102 . GLY . 52205 1 103 . ALA . 52205 1 104 . GLN . 52205 1 105 . ASN . 52205 1 106 . ILE . 52205 1 107 . GLN . 52205 1 108 . LEU . 52205 1 109 . VAL . 52205 1 110 . LEU . 52205 1 111 . SER . 52205 1 112 . THR . 52205 1 113 . ASP . 52205 1 114 . ASN . 52205 1 115 . ALA . 52205 1 116 . THR . 52205 1 117 . ALA . 52205 1 118 . LEU . 52205 1 119 . THR . 52205 1 120 . ASN . 52205 1 121 . LYS . 52205 1 122 . ILE . 52205 1 123 . ILE . 52205 1 124 . PRO . 52205 1 125 . GLY . 52205 1 126 . ASP . 52205 1 127 . SER . 52205 1 128 . THR . 52205 1 129 . GLN . 52205 1 130 . PRO . 52205 1 131 . LYS . 52205 1 132 . ALA . 52205 1 133 . LYS . 52205 1 134 . GLY . 52205 1 135 . ASP . 52205 1 136 . ALA . 52205 1 137 . SER . 52205 1 138 . ALA . 52205 1 139 . VAL . 52205 1 140 . ALA . 52205 1 141 . ASP . 52205 1 142 . GLY . 52205 1 143 . ALA . 52205 1 144 . ARG . 52205 1 145 . PHE . 52205 1 146 . THR . 52205 1 147 . TYR . 52205 1 148 . TYR . 52205 1 149 . VAL . 52205 1 150 . GLY . 52205 1 151 . TYR . 52205 1 152 . ALA . 52205 1 153 . THR . 52205 1 154 . SER . 52205 1 155 . ALA . 52205 1 156 . PRO . 52205 1 157 . THR . 52205 1 158 . THR . 52205 1 159 . VAL . 52205 1 160 . THR . 52205 1 161 . THR . 52205 1 162 . GLY . 52205 1 163 . VAL . 52205 1 164 . VAL . 52205 1 165 . ASN . 52205 1 166 . SER . 52205 1 167 . TYR . 52205 1 168 . ALA . 52205 1 169 . THR . 52205 1 170 . TYR . 52205 1 171 . GLU . 52205 1 172 . ILE . 52205 1 173 . THR . 52205 1 174 . TYR . 52205 1 175 . GLN . 52205 1 176 . GLY . 52205 1 177 . GLY . 52205 1 178 . GLY . 52205 1 179 . GLY . 52205 1 180 . GLY . 52205 1 181 . GLY . 52205 1 182 . ALA . 52205 1 183 . ASP . 52205 1 184 . THR . 52205 1 185 . THR . 52205 1 186 . VAL . 52205 1 187 . GLY . 52205 1 188 . GLY . 52205 1 189 . GLY . 52205 1 190 . GLN . 52205 1 191 . VAL . 52205 1 192 . ASN . 52205 1 193 . PHE . 52205 1 194 . PHE . 52205 1 195 . GLY . 52205 1 196 . LYS . 52205 1 197 . VAL . 52205 1 198 . THR . 52205 1 199 . ASP . 52205 1 200 . VAL . 52205 1 201 . SER . 52205 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 52205 1 . GLY 2 2 52205 1 . SER 3 3 52205 1 . HIS 4 4 52205 1 . HIS 5 5 52205 1 . HIS 6 6 52205 1 . HIS 7 7 52205 1 . HIS 8 8 52205 1 . HIS 9 9 52205 1 . HIS 10 10 52205 1 . HIS 11 11 52205 1 . HIS 12 12 52205 1 . HIS 13 13 52205 1 . GLY 14 14 52205 1 . SER 15 15 52205 1 . CYS 16 16 52205 1 . THR 17 17 52205 1 . VAL 18 18 52205 1 . SER 19 19 52205 1 . VAL 20 20 52205 1 . ASN 21 21 52205 1 . GLY 22 22 52205 1 . GLN 23 23 52205 1 . GLY 24 24 52205 1 . SER 25 25 52205 1 . ASP 26 26 52205 1 . ALA 27 27 52205 1 . ASN 28 28 52205 1 . VAL 29 29 52205 1 . TYR 30 30 52205 1 . LEU 31 31 52205 1 . SER 32 32 52205 1 . PRO 33 33 52205 1 . VAL 34 34 52205 1 . THR 35 35 52205 1 . LEU 36 36 52205 1 . THR 37 37 52205 1 . GLU 38 38 52205 1 . VAL 39 39 52205 1 . LYS 40 40 52205 1 . ALA 41 41 52205 1 . ALA 42 42 52205 1 . ALA 43 43 52205 1 . ALA 44 44 52205 1 . ASP 45 45 52205 1 . THR 46 46 52205 1 . TYR 47 47 52205 1 . LEU 48 48 52205 1 . LYS 49 49 52205 1 . PRO 50 50 52205 1 . LYS 51 51 52205 1 . SER 52 52 52205 1 . PHE 53 53 52205 1 . THR 54 54 52205 1 . ILE 55 55 52205 1 . ASP 56 56 52205 1 . VAL 57 57 52205 1 . SER 58 58 52205 1 . ASN 59 59 52205 1 . CYS 60 60 52205 1 . GLN 61 61 52205 1 . ALA 62 62 52205 1 . ALA 63 63 52205 1 . ASP 64 64 52205 1 . GLY 65 65 52205 1 . THR 66 66 52205 1 . LYS 67 67 52205 1 . GLN 68 68 52205 1 . ASP 69 69 52205 1 . ASP 70 70 52205 1 . VAL 71 71 52205 1 . SER 72 72 52205 1 . LYS 73 73 52205 1 . LEU 74 74 52205 1 . GLY 75 75 52205 1 . VAL 76 76 52205 1 . ASN 77 77 52205 1 . TRP 78 78 52205 1 . THR 79 79 52205 1 . GLY 80 80 52205 1 . GLY 81 81 52205 1 . ASN 82 82 52205 1 . LEU 83 83 52205 1 . LEU 84 84 52205 1 . ALA 85 85 52205 1 . GLY 86 86 52205 1 . ALA 87 87 52205 1 . THR 88 88 52205 1 . SER 89 89 52205 1 . LYS 90 90 52205 1 . GLN 91 91 52205 1 . GLN 92 92 52205 1 . GLY 93 93 52205 1 . TYR 94 94 52205 1 . LEU 95 95 52205 1 . ALA 96 96 52205 1 . ASN 97 97 52205 1 . THR 98 98 52205 1 . GLU 99 99 52205 1 . ALA 100 100 52205 1 . SER 101 101 52205 1 . GLY 102 102 52205 1 . ALA 103 103 52205 1 . GLN 104 104 52205 1 . ASN 105 105 52205 1 . ILE 106 106 52205 1 . GLN 107 107 52205 1 . LEU 108 108 52205 1 . VAL 109 109 52205 1 . LEU 110 110 52205 1 . SER 111 111 52205 1 . THR 112 112 52205 1 . ASP 113 113 52205 1 . ASN 114 114 52205 1 . ALA 115 115 52205 1 . THR 116 116 52205 1 . ALA 117 117 52205 1 . LEU 118 118 52205 1 . THR 119 119 52205 1 . ASN 120 120 52205 1 . LYS 121 121 52205 1 . ILE 122 122 52205 1 . ILE 123 123 52205 1 . PRO 124 124 52205 1 . GLY 125 125 52205 1 . ASP 126 126 52205 1 . SER 127 127 52205 1 . THR 128 128 52205 1 . GLN 129 129 52205 1 . PRO 130 130 52205 1 . LYS 131 131 52205 1 . ALA 132 132 52205 1 . LYS 133 133 52205 1 . GLY 134 134 52205 1 . ASP 135 135 52205 1 . ALA 136 136 52205 1 . SER 137 137 52205 1 . ALA 138 138 52205 1 . VAL 139 139 52205 1 . ALA 140 140 52205 1 . ASP 141 141 52205 1 . GLY 142 142 52205 1 . ALA 143 143 52205 1 . ARG 144 144 52205 1 . PHE 145 145 52205 1 . THR 146 146 52205 1 . TYR 147 147 52205 1 . TYR 148 148 52205 1 . VAL 149 149 52205 1 . GLY 150 150 52205 1 . TYR 151 151 52205 1 . ALA 152 152 52205 1 . THR 153 153 52205 1 . SER 154 154 52205 1 . ALA 155 155 52205 1 . PRO 156 156 52205 1 . THR 157 157 52205 1 . THR 158 158 52205 1 . VAL 159 159 52205 1 . THR 160 160 52205 1 . THR 161 161 52205 1 . GLY 162 162 52205 1 . VAL 163 163 52205 1 . VAL 164 164 52205 1 . ASN 165 165 52205 1 . SER 166 166 52205 1 . TYR 167 167 52205 1 . ALA 168 168 52205 1 . THR 169 169 52205 1 . TYR 170 170 52205 1 . GLU 171 171 52205 1 . ILE 172 172 52205 1 . THR 173 173 52205 1 . TYR 174 174 52205 1 . GLN 175 175 52205 1 . GLY 176 176 52205 1 . GLY 177 177 52205 1 . GLY 178 178 52205 1 . GLY 179 179 52205 1 . GLY 180 180 52205 1 . GLY 181 181 52205 1 . ALA 182 182 52205 1 . ASP 183 183 52205 1 . THR 184 184 52205 1 . THR 185 185 52205 1 . VAL 186 186 52205 1 . GLY 187 187 52205 1 . GLY 188 188 52205 1 . GLY 189 189 52205 1 . GLN 190 190 52205 1 . VAL 191 191 52205 1 . ASN 192 192 52205 1 . PHE 193 193 52205 1 . PHE 194 194 52205 1 . GLY 195 195 52205 1 . LYS 196 196 52205 1 . VAL 197 197 52205 1 . THR 198 198 52205 1 . ASP 199 199 52205 1 . VAL 200 200 52205 1 . SER 201 201 52205 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 52205 _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 . 573 organism . 'Klebsiella pneumoniae' 'Klebsiella pneumoniae' . . Bacteria . Klebsiella pneumoniae . . . . . . . . . . . . . 52205 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 52205 _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 . . pET29b . . . 52205 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52205 _Sample.ID 1 _Sample.Name '15N MrkA monomer' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Buffered protein in Sodium Phosphate 50 mM and Sodium Chloride 100 mM, pH 7.0' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MrkA monomer' '[U-99% 15N]' . . 1 $entity_1 . . 450 . . mM . . . . 52205 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 52205 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 52205 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 52205 _Sample.ID 2 _Sample.Name '13C 15N MrkA monomer' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Buffered protein in Sodium Phosphate 50 mM and Sodium Chloride 100 mM, pH 7.0' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MrkA monomer' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 400 . . mM . . . . 52205 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 52205 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 52205 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 52205 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'MrkA monomer conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 52205 1 pH 7 . pH 52205 1 pressure 1 . atm 52205 1 temperature 298 . K 52205 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52205 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.9 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52205 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52205 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.6 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52205 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52205 _Software.ID 3 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details 'I-PINE for backbone chemical shift assignment' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52205 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 52205 _Software.ID 4 _Software.Type . _Software.Name TALOS-N _Software.Version . _Software.DOI . _Software.Details 'Secondary structure prediction' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'collection of backbone dihedral angles' . 52205 4 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 52205 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 700' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 52205 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker 950' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 52205 _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 '3D HNCA' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52205 1 2 '3D HNCO' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52205 1 3 '3D HNCACO' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52205 1 4 '3D CBCACONH' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52205 1 5 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52205 1 6 '(H)CCH-TOCSY 3D' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52205 1 7 HBHA(CBCACO)NH no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52205 1 8 '2D 1H-13C HSQC' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52205 1 9 '3D 13C-separated NOESY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52205 1 10 '3D 15N-separated NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52205 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 52205 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Chemical shift reference MrkA monomer' _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 dioxane 'methylene carbons' . . . . ppm 61.3 external direct 1.0 . . . . . 52205 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . . . 52205 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 52205 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Assigned chemical shifts list of MrkA monomer' _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 '3D HNCA' . . . 52205 1 2 '3D HNCO' . . . 52205 1 3 '3D HNCACO' . . . 52205 1 4 '3D CBCACONH' . . . 52205 1 6 '(H)CCH-TOCSY 3D' . . . 52205 1 7 HBHA(CBCACO)NH . . . 52205 1 9 '3D 13C-separated NOESY' . . . 52205 1 10 '3D 15N-separated NOESY' . . . 52205 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52205 1 2 $software_2 . . 52205 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 14 14 GLY H H 1 7.993 0.020 . 1 . . . . . 14 GLY H . 52205 1 2 . 1 . 1 14 14 GLY HA2 H 1 3.610 0.020 . 2 . . . . . 14 GLY HA2 . 52205 1 3 . 1 . 1 14 14 GLY HA3 H 1 4.242 0.020 . 2 . . . . . 14 GLY HA3 . 52205 1 4 . 1 . 1 14 14 GLY C C 13 171.703 0.3 . 1 . . . . . 14 GLY C . 52205 1 5 . 1 . 1 14 14 GLY CA C 13 44.270 0.3 . 1 . . . . . 14 GLY CA . 52205 1 6 . 1 . 1 14 14 GLY N N 15 108.355 0.3 . 1 . . . . . 14 GLY N . 52205 1 7 . 1 . 1 15 15 SER H H 1 8.748 0.020 . 1 . . . . . 15 SER H . 52205 1 8 . 1 . 1 15 15 SER HA H 1 5.116 0.020 . 1 . . . . . 15 SER HA . 52205 1 9 . 1 . 1 15 15 SER HB2 H 1 3.697 0.020 . 2 . . . . . 15 SER HB2 . 52205 1 10 . 1 . 1 15 15 SER HB3 H 1 3.648 0.020 . 2 . . . . . 15 SER HB3 . 52205 1 11 . 1 . 1 15 15 SER C C 13 172.674 0.3 . 1 . . . . . 15 SER C . 52205 1 12 . 1 . 1 15 15 SER CA C 13 57.619 0.3 . 1 . . . . . 15 SER CA . 52205 1 13 . 1 . 1 15 15 SER CB C 13 66.174 0.3 . 1 . . . . . 15 SER CB . 52205 1 14 . 1 . 1 15 15 SER N N 15 112.034 0.3 . 1 . . . . . 15 SER N . 52205 1 15 . 1 . 1 16 16 CYS H H 1 8.021 0.020 . 1 . . . . . 16 CYS H . 52205 1 16 . 1 . 1 16 16 CYS HA H 1 4.877 0.020 . 1 . . . . . 16 CYS HA . 52205 1 17 . 1 . 1 16 16 CYS HB2 H 1 3.009 0.020 . 2 . . . . . 16 CYS HB2 . 52205 1 18 . 1 . 1 16 16 CYS HB3 H 1 2.633 0.020 . 2 . . . . . 16 CYS HB3 . 52205 1 19 . 1 . 1 16 16 CYS C C 13 172.633 0.3 . 1 . . . . . 16 CYS C . 52205 1 20 . 1 . 1 16 16 CYS CA C 13 56.906 0.3 . 1 . . . . . 16 CYS CA . 52205 1 21 . 1 . 1 16 16 CYS CB C 13 29.498 0.3 . 1 . . . . . 16 CYS CB . 52205 1 22 . 1 . 1 16 16 CYS N N 15 112.070 0.3 . 1 . . . . . 16 CYS N . 52205 1 23 . 1 . 1 17 17 THR H H 1 8.931 0.020 . 1 . . . . . 17 THR H . 52205 1 24 . 1 . 1 17 17 THR HA H 1 4.470 0.020 . 1 . . . . . 17 THR HA . 52205 1 25 . 1 . 1 17 17 THR HB H 1 3.986 0.020 . 1 . . . . . 17 THR HB . 52205 1 26 . 1 . 1 17 17 THR HG21 H 1 1.019 0.020 . 1 . . . . . 17 THR QG2 . 52205 1 27 . 1 . 1 17 17 THR HG22 H 1 1.019 0.020 . 1 . . . . . 17 THR QG2 . 52205 1 28 . 1 . 1 17 17 THR HG23 H 1 1.019 0.020 . 1 . . . . . 17 THR QG2 . 52205 1 29 . 1 . 1 17 17 THR C C 13 172.868 0.3 . 1 . . . . . 17 THR C . 52205 1 30 . 1 . 1 17 17 THR CA C 13 62.743 0.3 . 1 . . . . . 17 THR CA . 52205 1 31 . 1 . 1 17 17 THR CB C 13 69.612 0.3 . 1 . . . . . 17 THR CB . 52205 1 32 . 1 . 1 17 17 THR CG2 C 13 21.585 0.3 . 1 . . . . . 17 THR CG2 . 52205 1 33 . 1 . 1 17 17 THR N N 15 118.262 0.3 . 1 . . . . . 17 THR N . 52205 1 34 . 1 . 1 18 18 VAL H H 1 8.432 0.020 . 1 . . . . . 18 VAL H . 52205 1 35 . 1 . 1 18 18 VAL HA H 1 5.042 0.020 . 1 . . . . . 18 VAL HA . 52205 1 36 . 1 . 1 18 18 VAL HB H 1 1.722 0.020 . 1 . . . . . 18 VAL HB . 52205 1 37 . 1 . 1 18 18 VAL HG11 H 1 0.827 0.020 . 1 . . . . . 18 VAL QG1 . 52205 1 38 . 1 . 1 18 18 VAL HG12 H 1 0.827 0.020 . 1 . . . . . 18 VAL QG1 . 52205 1 39 . 1 . 1 18 18 VAL HG13 H 1 0.827 0.020 . 1 . . . . . 18 VAL QG1 . 52205 1 40 . 1 . 1 18 18 VAL HG21 H 1 0.814 0.020 . 1 . . . . . 18 VAL QG2 . 52205 1 41 . 1 . 1 18 18 VAL HG22 H 1 0.814 0.020 . 1 . . . . . 18 VAL QG2 . 52205 1 42 . 1 . 1 18 18 VAL HG23 H 1 0.814 0.020 . 1 . . . . . 18 VAL QG2 . 52205 1 43 . 1 . 1 18 18 VAL C C 13 174.860 0.3 . 1 . . . . . 18 VAL C . 52205 1 44 . 1 . 1 18 18 VAL CA C 13 60.046 0.3 . 1 . . . . . 18 VAL CA . 52205 1 45 . 1 . 1 18 18 VAL CB C 13 34.564 0.3 . 1 . . . . . 18 VAL CB . 52205 1 46 . 1 . 1 18 18 VAL CG1 C 13 23.944 0.3 . 1 . . . . . 18 VAL CG1 . 52205 1 47 . 1 . 1 18 18 VAL CG2 C 13 21.910 0.3 . 1 . . . . . 18 VAL CG2 . 52205 1 48 . 1 . 1 18 18 VAL N N 15 125.876 0.3 . 1 . . . . . 18 VAL N . 52205 1 49 . 1 . 1 19 19 SER H H 1 8.696 0.020 . 1 . . . . . 19 SER H . 52205 1 50 . 1 . 1 19 19 SER HA H 1 4.699 0.020 . 1 . . . . . 19 SER HA . 52205 1 51 . 1 . 1 19 19 SER HB2 H 1 3.465 0.020 . 2 . . . . . 19 SER HB2 . 52205 1 52 . 1 . 1 19 19 SER HB3 H 1 3.581 0.020 . 2 . . . . . 19 SER HB3 . 52205 1 53 . 1 . 1 19 19 SER C C 13 175.219 0.3 . 1 . . . . . 19 SER C . 52205 1 54 . 1 . 1 19 19 SER CA C 13 55.470 0.3 . 1 . . . . . 19 SER CA . 52205 1 55 . 1 . 1 19 19 SER CB C 13 64.996 0.3 . 1 . . . . . 19 SER CB . 52205 1 56 . 1 . 1 19 19 SER N N 15 119.809 0.3 . 1 . . . . . 19 SER N . 52205 1 57 . 1 . 1 20 20 VAL H H 1 8.636 0.020 . 1 . . . . . 20 VAL H . 52205 1 58 . 1 . 1 20 20 VAL HA H 1 4.890 0.020 . 1 . . . . . 20 VAL HA . 52205 1 59 . 1 . 1 20 20 VAL HB H 1 2.029 0.020 . 1 . . . . . 20 VAL HB . 52205 1 60 . 1 . 1 20 20 VAL HG11 H 1 0.732 0.020 . 1 . . . . . 20 VAL QG1 . 52205 1 61 . 1 . 1 20 20 VAL HG12 H 1 0.732 0.020 . 1 . . . . . 20 VAL QG1 . 52205 1 62 . 1 . 1 20 20 VAL HG13 H 1 0.732 0.020 . 1 . . . . . 20 VAL QG1 . 52205 1 63 . 1 . 1 20 20 VAL HG21 H 1 0.773 0.020 . 1 . . . . . 20 VAL QG2 . 52205 1 64 . 1 . 1 20 20 VAL HG22 H 1 0.773 0.020 . 1 . . . . . 20 VAL QG2 . 52205 1 65 . 1 . 1 20 20 VAL HG23 H 1 0.773 0.020 . 1 . . . . . 20 VAL QG2 . 52205 1 66 . 1 . 1 20 20 VAL C C 13 176.221 0.3 . 1 . . . . . 20 VAL C . 52205 1 67 . 1 . 1 20 20 VAL CA C 13 61.070 0.3 . 1 . . . . . 20 VAL CA . 52205 1 68 . 1 . 1 20 20 VAL CB C 13 31.191 0.3 . 1 . . . . . 20 VAL CB . 52205 1 69 . 1 . 1 20 20 VAL CG1 C 13 20.913 0.3 . 1 . . . . . 20 VAL CG1 . 52205 1 70 . 1 . 1 20 20 VAL CG2 C 13 21.405 0.3 . 1 . . . . . 20 VAL CG2 . 52205 1 71 . 1 . 1 20 20 VAL N N 15 133.767 0.3 . 1 . . . . . 20 VAL N . 52205 1 72 . 1 . 1 21 21 ASN H H 1 10.008 0.020 . 1 . . . . . 21 ASN H . 52205 1 73 . 1 . 1 21 21 ASN HA H 1 4.576 0.020 . 1 . . . . . 21 ASN HA . 52205 1 74 . 1 . 1 21 21 ASN HB2 H 1 3.346 0.020 . 2 . . . . . 21 ASN HB2 . 52205 1 75 . 1 . 1 21 21 ASN HB3 H 1 2.160 0.020 . 2 . . . . . 21 ASN HB3 . 52205 1 76 . 1 . 1 21 21 ASN HD21 H 1 6.539 0.020 . 1 . . . . . 21 ASN HD21 . 52205 1 77 . 1 . 1 21 21 ASN HD22 H 1 7.522 0.020 . 1 . . . . . 21 ASN HD22 . 52205 1 78 . 1 . 1 21 21 ASN C C 13 175.639 0.3 . 1 . . . . . 21 ASN C . 52205 1 79 . 1 . 1 21 21 ASN CA C 13 53.046 0.3 . 1 . . . . . 21 ASN CA . 52205 1 80 . 1 . 1 21 21 ASN CB C 13 39.030 0.3 . 1 . . . . . 21 ASN CB . 52205 1 81 . 1 . 1 21 21 ASN N N 15 128.945 0.3 . 1 . . . . . 21 ASN N . 52205 1 82 . 1 . 1 21 21 ASN ND2 N 15 114.445 0.3 . 1 . . . . . 21 ASN ND2 . 52205 1 83 . 1 . 1 22 22 GLY H H 1 8.499 0.020 . 1 . . . . . 22 GLY H . 52205 1 84 . 1 . 1 22 22 GLY HA2 H 1 4.030 0.020 . 2 . . . . . 22 GLY HA2 . 52205 1 85 . 1 . 1 22 22 GLY HA3 H 1 3.651 0.020 . 2 . . . . . 22 GLY HA3 . 52205 1 86 . 1 . 1 22 22 GLY C C 13 174.959 0.3 . 1 . . . . . 22 GLY C . 52205 1 87 . 1 . 1 22 22 GLY CA C 13 45.989 0.3 . 1 . . . . . 22 GLY CA . 52205 1 88 . 1 . 1 22 22 GLY N N 15 103.942 0.3 . 1 . . . . . 22 GLY N . 52205 1 89 . 1 . 1 23 23 GLN H H 1 7.895 0.020 . 1 . . . . . 23 GLN H . 52205 1 90 . 1 . 1 23 23 GLN HA H 1 4.642 0.020 . 1 . . . . . 23 GLN HA . 52205 1 91 . 1 . 1 23 23 GLN HB2 H 1 2.556 0.020 . 2 . . . . . 23 GLN HB2 . 52205 1 92 . 1 . 1 23 23 GLN HB3 H 1 2.233 0.020 . 2 . . . . . 23 GLN HB3 . 52205 1 93 . 1 . 1 23 23 GLN HG2 H 1 2.428 0.020 . 2 . . . . . 23 GLN HG2 . 52205 1 94 . 1 . 1 23 23 GLN HG3 H 1 2.360 0.020 . 2 . . . . . 23 GLN HG3 . 52205 1 95 . 1 . 1 23 23 GLN HE21 H 1 7.545 0.020 . 1 . . . . . 23 GLN HE21 . 52205 1 96 . 1 . 1 23 23 GLN HE22 H 1 7.414 0.020 . 1 . . . . . 23 GLN HE22 . 52205 1 97 . 1 . 1 23 23 GLN C C 13 174.949 0.3 . 1 . . . . . 23 GLN C . 52205 1 98 . 1 . 1 23 23 GLN CA C 13 54.614 0.3 . 1 . . . . . 23 GLN CA . 52205 1 99 . 1 . 1 23 23 GLN CB C 13 28.429 0.3 . 1 . . . . . 23 GLN CB . 52205 1 100 . 1 . 1 23 23 GLN CG C 13 33.630 0.3 . 1 . . . . . 23 GLN CG . 52205 1 101 . 1 . 1 23 23 GLN N N 15 121.557 0.3 . 1 . . . . . 23 GLN N . 52205 1 102 . 1 . 1 23 23 GLN NE2 N 15 113.116 0.3 . 1 . . . . . 23 GLN NE2 . 52205 1 103 . 1 . 1 24 24 GLY H H 1 8.126 0.020 . 1 . . . . . 24 GLY H . 52205 1 104 . 1 . 1 24 24 GLY HA2 H 1 4.654 0.020 . 2 . . . . . 24 GLY HA2 . 52205 1 105 . 1 . 1 24 24 GLY HA3 H 1 4.001 0.020 . 2 . . . . . 24 GLY HA3 . 52205 1 106 . 1 . 1 24 24 GLY C C 13 173.309 0.3 . 1 . . . . . 24 GLY C . 52205 1 107 . 1 . 1 24 24 GLY CA C 13 44.698 0.3 . 1 . . . . . 24 GLY CA . 52205 1 108 . 1 . 1 24 24 GLY N N 15 111.299 0.3 . 1 . . . . . 24 GLY N . 52205 1 109 . 1 . 1 25 25 SER H H 1 8.401 0.020 . 1 . . . . . 25 SER H . 52205 1 110 . 1 . 1 25 25 SER HA H 1 3.955 0.020 . 1 . . . . . 25 SER HA . 52205 1 111 . 1 . 1 25 25 SER HB2 H 1 3.774 0.020 . 1 . . . . . 25 SER HB2 . 52205 1 112 . 1 . 1 25 25 SER HB3 H 1 3.774 0.020 . 1 . . . . . 25 SER HB3 . 52205 1 113 . 1 . 1 25 25 SER CA C 13 60.670 0.3 . 1 . . . . . 25 SER CA . 52205 1 114 . 1 . 1 25 25 SER CB C 13 62.364 0.3 . 1 . . . . . 25 SER CB . 52205 1 115 . 1 . 1 25 25 SER N N 15 115.664 0.3 . 1 . . . . . 25 SER N . 52205 1 116 . 1 . 1 26 26 ASP H H 1 7.610 0.020 . 1 . . . . . 26 ASP H . 52205 1 117 . 1 . 1 26 26 ASP HA H 1 5.742 0.020 . 1 . . . . . 26 ASP HA . 52205 1 118 . 1 . 1 26 26 ASP CA C 13 52.609 0.3 . 1 . . . . . 26 ASP CA . 52205 1 119 . 1 . 1 26 26 ASP CB C 13 41.736 0.3 . 1 . . . . . 26 ASP CB . 52205 1 120 . 1 . 1 26 26 ASP N N 15 120.967 0.3 . 1 . . . . . 26 ASP N . 52205 1 121 . 1 . 1 27 27 ALA H H 1 7.813 0.020 . 1 . . . . . 27 ALA H . 52205 1 122 . 1 . 1 27 27 ALA HA H 1 4.508 0.020 . 1 . . . . . 27 ALA HA . 52205 1 123 . 1 . 1 27 27 ALA HB1 H 1 1.179 0.020 . 1 . . . . . 27 ALA HB# . 52205 1 124 . 1 . 1 27 27 ALA HB2 H 1 1.179 0.020 . 1 . . . . . 27 ALA HB# . 52205 1 125 . 1 . 1 27 27 ALA HB3 H 1 1.179 0.020 . 1 . . . . . 27 ALA HB# . 52205 1 126 . 1 . 1 27 27 ALA C C 13 174.419 0.3 . 1 . . . . . 27 ALA C . 52205 1 127 . 1 . 1 27 27 ALA CA C 13 51.106 0.3 . 1 . . . . . 27 ALA CA . 52205 1 128 . 1 . 1 27 27 ALA CB C 13 25.288 0.3 . 1 . . . . . 27 ALA CB . 52205 1 129 . 1 . 1 27 27 ALA N N 15 121.302 0.3 . 1 . . . . . 27 ALA N . 52205 1 130 . 1 . 1 28 28 ASN H H 1 8.506 0.020 . 1 . . . . . 28 ASN H . 52205 1 131 . 1 . 1 28 28 ASN HA H 1 5.570 0.020 . 1 . . . . . 28 ASN HA . 52205 1 132 . 1 . 1 28 28 ASN HB2 H 1 2.767 0.020 . 2 . . . . . 28 ASN HB2 . 52205 1 133 . 1 . 1 28 28 ASN HB3 H 1 2.221 0.020 . 2 . . . . . 28 ASN HB3 . 52205 1 134 . 1 . 1 28 28 ASN HD21 H 1 7.293 0.020 . 1 . . . . . 28 ASN HD21 . 52205 1 135 . 1 . 1 28 28 ASN HD22 H 1 6.814 0.020 . 1 . . . . . 28 ASN HD22 . 52205 1 136 . 1 . 1 28 28 ASN C C 13 174.878 0.3 . 1 . . . . . 28 ASN C . 52205 1 137 . 1 . 1 28 28 ASN CA C 13 51.272 0.3 . 1 . . . . . 28 ASN CA . 52205 1 138 . 1 . 1 28 28 ASN CB C 13 41.443 0.3 . 1 . . . . . 28 ASN CB . 52205 1 139 . 1 . 1 28 28 ASN N N 15 117.265 0.3 . 1 . . . . . 28 ASN N . 52205 1 140 . 1 . 1 28 28 ASN ND2 N 15 113.118 0.3 . 1 . . . . . 28 ASN ND2 . 52205 1 141 . 1 . 1 29 29 VAL H H 1 9.039 0.020 . 1 . . . . . 29 VAL H . 52205 1 142 . 1 . 1 29 29 VAL HA H 1 3.947 0.020 . 1 . . . . . 29 VAL HA . 52205 1 143 . 1 . 1 29 29 VAL HB H 1 1.507 0.020 . 1 . . . . . 29 VAL HB . 52205 1 144 . 1 . 1 29 29 VAL HG11 H 1 0.614 0.020 . 1 . . . . . 29 VAL QG1 . 52205 1 145 . 1 . 1 29 29 VAL HG12 H 1 0.614 0.020 . 1 . . . . . 29 VAL QG1 . 52205 1 146 . 1 . 1 29 29 VAL HG13 H 1 0.614 0.020 . 1 . . . . . 29 VAL QG1 . 52205 1 147 . 1 . 1 29 29 VAL HG21 H 1 0.125 0.020 . 1 . . . . . 29 VAL QG2 . 52205 1 148 . 1 . 1 29 29 VAL HG22 H 1 0.125 0.020 . 1 . . . . . 29 VAL QG2 . 52205 1 149 . 1 . 1 29 29 VAL HG23 H 1 0.125 0.020 . 1 . . . . . 29 VAL QG2 . 52205 1 150 . 1 . 1 29 29 VAL C C 13 173.291 0.3 . 1 . . . . . 29 VAL C . 52205 1 151 . 1 . 1 29 29 VAL CA C 13 61.931 0.3 . 1 . . . . . 29 VAL CA . 52205 1 152 . 1 . 1 29 29 VAL CB C 13 34.532 0.3 . 1 . . . . . 29 VAL CB . 52205 1 153 . 1 . 1 29 29 VAL CG1 C 13 20.213 0.3 . 1 . . . . . 29 VAL CG1 . 52205 1 154 . 1 . 1 29 29 VAL CG2 C 13 20.422 0.3 . 1 . . . . . 29 VAL CG2 . 52205 1 155 . 1 . 1 29 29 VAL N N 15 124.096 0.3 . 1 . . . . . 29 VAL N . 52205 1 156 . 1 . 1 30 30 TYR H H 1 8.834 0.020 . 1 . . . . . 30 TYR H . 52205 1 157 . 1 . 1 30 30 TYR HA H 1 5.009 0.020 . 1 . . . . . 30 TYR HA . 52205 1 158 . 1 . 1 30 30 TYR HB2 H 1 2.942 0.020 . 2 . . . . . 30 TYR HB2 . 52205 1 159 . 1 . 1 30 30 TYR HB3 H 1 2.814 0.020 . 2 . . . . . 30 TYR HB3 . 52205 1 160 . 1 . 1 30 30 TYR HD1 H 1 7.084 0.020 . 1 . . . . . 30 TYR HD1 . 52205 1 161 . 1 . 1 30 30 TYR HD2 H 1 7.084 0.020 . 1 . . . . . 30 TYR HD2 . 52205 1 162 . 1 . 1 30 30 TYR HE1 H 1 6.316 0.020 . 1 . . . . . 30 TYR HE1 . 52205 1 163 . 1 . 1 30 30 TYR HE2 H 1 6.316 0.020 . 1 . . . . . 30 TYR HE2 . 52205 1 164 . 1 . 1 30 30 TYR C C 13 175.724 0.3 . 1 . . . . . 30 TYR C . 52205 1 165 . 1 . 1 30 30 TYR CA C 13 57.443 0.3 . 1 . . . . . 30 TYR CA . 52205 1 166 . 1 . 1 30 30 TYR CB C 13 38.961 0.3 . 1 . . . . . 30 TYR CB . 52205 1 167 . 1 . 1 30 30 TYR CD1 C 13 133.390 0.3 . 1 . . . . . 30 TYR CD1 . 52205 1 168 . 1 . 1 30 30 TYR CD2 C 13 133.390 0.3 . 1 . . . . . 30 TYR CD2 . 52205 1 169 . 1 . 1 30 30 TYR N N 15 127.725 0.3 . 1 . . . . . 30 TYR N . 52205 1 170 . 1 . 1 31 31 LEU H H 1 8.730 0.020 . 1 . . . . . 31 LEU H . 52205 1 171 . 1 . 1 31 31 LEU HA H 1 4.307 0.020 . 1 . . . . . 31 LEU HA . 52205 1 172 . 1 . 1 31 31 LEU HB2 H 1 2.015 0.020 . 2 . . . . . 31 LEU HB2 . 52205 1 173 . 1 . 1 31 31 LEU HB3 H 1 1.430 0.020 . 2 . . . . . 31 LEU HB3 . 52205 1 174 . 1 . 1 31 31 LEU HG H 1 1.317 0.020 . 1 . . . . . 31 LEU HG . 52205 1 175 . 1 . 1 31 31 LEU HD11 H 1 0.154 0.020 . 2 . . . . . 31 LEU QD1 . 52205 1 176 . 1 . 1 31 31 LEU HD12 H 1 0.154 0.020 . 2 . . . . . 31 LEU QD1 . 52205 1 177 . 1 . 1 31 31 LEU HD13 H 1 0.154 0.020 . 2 . . . . . 31 LEU QD1 . 52205 1 178 . 1 . 1 31 31 LEU HD21 H 1 0.503 0.020 . 2 . . . . . 31 LEU QD2 . 52205 1 179 . 1 . 1 31 31 LEU HD22 H 1 0.503 0.020 . 2 . . . . . 31 LEU QD2 . 52205 1 180 . 1 . 1 31 31 LEU HD23 H 1 0.503 0.020 . 2 . . . . . 31 LEU QD2 . 52205 1 181 . 1 . 1 31 31 LEU C C 13 178.493 0.3 . 1 . . . . . 31 LEU C . 52205 1 182 . 1 . 1 31 31 LEU CA C 13 56.925 0.3 . 1 . . . . . 31 LEU CA . 52205 1 183 . 1 . 1 31 31 LEU CB C 13 43.167 0.3 . 1 . . . . . 31 LEU CB . 52205 1 184 . 1 . 1 31 31 LEU CG C 13 31.191 0.3 . 1 . . . . . 31 LEU CG . 52205 1 185 . 1 . 1 31 31 LEU CD1 C 13 27.780 0.3 . 1 . . . . . 31 LEU CD1 . 52205 1 186 . 1 . 1 31 31 LEU CD2 C 13 25.700 0.3 . 1 . . . . . 31 LEU CD2 . 52205 1 187 . 1 . 1 31 31 LEU N N 15 124.911 0.3 . 1 . . . . . 31 LEU N . 52205 1 188 . 1 . 1 32 32 SER H H 1 9.325 0.020 . 1 . . . . . 32 SER H . 52205 1 189 . 1 . 1 32 32 SER HA H 1 4.694 0.020 . 1 . . . . . 32 SER HA . 52205 1 190 . 1 . 1 32 32 SER HB2 H 1 4.015 0.020 . 2 . . . . . 32 SER HB2 . 52205 1 191 . 1 . 1 32 32 SER HB3 H 1 3.845 0.020 . 2 . . . . . 32 SER HB3 . 52205 1 192 . 1 . 1 32 32 SER HG H 1 4.881 0.020 . 1 . . . . . 32 SER HG . 52205 1 193 . 1 . 1 32 32 SER C C 13 172.818 0.3 . 1 . . . . . 32 SER C . 52205 1 194 . 1 . 1 32 32 SER CA C 13 58.003 0.3 . 1 . . . . . 32 SER CA . 52205 1 195 . 1 . 1 32 32 SER CB C 13 62.702 0.3 . 1 . . . . . 32 SER CB . 52205 1 196 . 1 . 1 32 32 SER N N 15 118.857 0.3 . 1 . . . . . 32 SER N . 52205 1 197 . 1 . 1 33 33 PRO HA H 1 4.900 0.020 . 1 . . . . . 33 PRO HA . 52205 1 198 . 1 . 1 33 33 PRO HB2 H 1 1.954 0.020 . 2 . . . . . 33 PRO HB2 . 52205 1 199 . 1 . 1 33 33 PRO HB3 H 1 1.734 0.020 . 2 . . . . . 33 PRO HB3 . 52205 1 200 . 1 . 1 33 33 PRO HG2 H 1 2.021 0.020 . 2 . . . . . 33 PRO HG2 . 52205 1 201 . 1 . 1 33 33 PRO HG3 H 1 1.919 0.020 . 2 . . . . . 33 PRO HG3 . 52205 1 202 . 1 . 1 33 33 PRO HD2 H 1 3.842 0.020 . 2 . . . . . 33 PRO HD2 . 52205 1 203 . 1 . 1 33 33 PRO HD3 H 1 3.753 0.020 . 2 . . . . . 33 PRO HD3 . 52205 1 204 . 1 . 1 33 33 PRO C C 13 174.878 0.3 . 1 . . . . . 33 PRO C . 52205 1 205 . 1 . 1 33 33 PRO CA C 13 62.908 0.3 . 1 . . . . . 33 PRO CA . 52205 1 206 . 1 . 1 33 33 PRO CB C 13 32.676 0.3 . 1 . . . . . 33 PRO CB . 52205 1 207 . 1 . 1 33 33 PRO CG C 13 27.513 0.3 . 1 . . . . . 33 PRO CG . 52205 1 208 . 1 . 1 33 33 PRO CD C 13 50.589 0.3 . 1 . . . . . 33 PRO CD . 52205 1 209 . 1 . 1 34 34 VAL H H 1 8.558 0.020 . 1 . . . . . 34 VAL H . 52205 1 210 . 1 . 1 34 34 VAL HA H 1 4.528 0.020 . 1 . . . . . 34 VAL HA . 52205 1 211 . 1 . 1 34 34 VAL HB H 1 1.301 0.020 . 1 . . . . . 34 VAL HB . 52205 1 212 . 1 . 1 34 34 VAL HG11 H 1 0.738 0.020 . 1 . . . . . 34 VAL QG1 . 52205 1 213 . 1 . 1 34 34 VAL HG12 H 1 0.738 0.020 . 1 . . . . . 34 VAL QG1 . 52205 1 214 . 1 . 1 34 34 VAL HG13 H 1 0.738 0.020 . 1 . . . . . 34 VAL QG1 . 52205 1 215 . 1 . 1 34 34 VAL HG21 H 1 -0.130 0.020 . 1 . . . . . 34 VAL QG2 . 52205 1 216 . 1 . 1 34 34 VAL HG22 H 1 -0.130 0.020 . 1 . . . . . 34 VAL QG2 . 52205 1 217 . 1 . 1 34 34 VAL HG23 H 1 -0.130 0.020 . 1 . . . . . 34 VAL QG2 . 52205 1 218 . 1 . 1 34 34 VAL C C 13 172.833 0.3 . 1 . . . . . 34 VAL C . 52205 1 219 . 1 . 1 34 34 VAL CA C 13 58.334 0.3 . 1 . . . . . 34 VAL CA . 52205 1 220 . 1 . 1 34 34 VAL CB C 13 36.045 0.3 . 1 . . . . . 34 VAL CB . 52205 1 221 . 1 . 1 34 34 VAL CG1 C 13 22.232 0.3 . 1 . . . . . 34 VAL CG1 . 52205 1 222 . 1 . 1 34 34 VAL CG2 C 13 18.536 0.3 . 1 . . . . . 34 VAL CG2 . 52205 1 223 . 1 . 1 34 34 VAL N N 15 121.455 0.3 . 1 . . . . . 34 VAL N . 52205 1 224 . 1 . 1 35 35 THR H H 1 8.703 0.020 . 1 . . . . . 35 THR H . 52205 1 225 . 1 . 1 35 35 THR HA H 1 5.046 0.020 . 1 . . . . . 35 THR HA . 52205 1 226 . 1 . 1 35 35 THR HB H 1 4.472 0.020 . 1 . . . . . 35 THR HB . 52205 1 227 . 1 . 1 35 35 THR HG21 H 1 1.057 0.020 . 1 . . . . . 35 THR QG2 . 52205 1 228 . 1 . 1 35 35 THR HG22 H 1 1.057 0.020 . 1 . . . . . 35 THR QG2 . 52205 1 229 . 1 . 1 35 35 THR HG23 H 1 1.057 0.020 . 1 . . . . . 35 THR QG2 . 52205 1 230 . 1 . 1 35 35 THR C C 13 176.994 0.3 . 1 . . . . . 35 THR C . 52205 1 231 . 1 . 1 35 35 THR CA C 13 59.750 0.3 . 1 . . . . . 35 THR CA . 52205 1 232 . 1 . 1 35 35 THR CB C 13 71.552 0.3 . 1 . . . . . 35 THR CB . 52205 1 233 . 1 . 1 35 35 THR CG2 C 13 21.532 0.3 . 1 . . . . . 35 THR CG2 . 52205 1 234 . 1 . 1 35 35 THR N N 15 117.686 0.3 . 1 . . . . . 35 THR N . 52205 1 235 . 1 . 1 36 36 LEU H H 1 8.677 0.020 . 1 . . . . . 36 LEU H . 52205 1 236 . 1 . 1 36 36 LEU HA H 1 3.769 0.020 . 1 . . . . . 36 LEU HA . 52205 1 237 . 1 . 1 36 36 LEU HB2 H 1 1.486 0.020 . 2 . . . . . 36 LEU HB2 . 52205 1 238 . 1 . 1 36 36 LEU HB3 H 1 1.430 0.020 . 2 . . . . . 36 LEU HB3 . 52205 1 239 . 1 . 1 36 36 LEU HG H 1 1.176 0.020 . 1 . . . . . 36 LEU HG . 52205 1 240 . 1 . 1 36 36 LEU HD11 H 1 0.719 0.020 . 2 . . . . . 36 LEU QD1 . 52205 1 241 . 1 . 1 36 36 LEU HD12 H 1 0.719 0.020 . 2 . . . . . 36 LEU QD1 . 52205 1 242 . 1 . 1 36 36 LEU HD13 H 1 0.719 0.020 . 2 . . . . . 36 LEU QD1 . 52205 1 243 . 1 . 1 36 36 LEU HD21 H 1 0.604 0.020 . 2 . . . . . 36 LEU QD2 . 52205 1 244 . 1 . 1 36 36 LEU HD22 H 1 0.604 0.020 . 2 . . . . . 36 LEU QD2 . 52205 1 245 . 1 . 1 36 36 LEU HD23 H 1 0.604 0.020 . 2 . . . . . 36 LEU QD2 . 52205 1 246 . 1 . 1 36 36 LEU C C 13 177.262 0.3 . 1 . . . . . 36 LEU C . 52205 1 247 . 1 . 1 36 36 LEU CA C 13 57.486 0.3 . 1 . . . . . 36 LEU CA . 52205 1 248 . 1 . 1 36 36 LEU CB C 13 42.011 0.3 . 1 . . . . . 36 LEU CB . 52205 1 249 . 1 . 1 36 36 LEU CG C 13 25.066 0.3 . 1 . . . . . 36 LEU CG . 52205 1 250 . 1 . 1 36 36 LEU CD1 C 13 24.810 0.3 . 1 . . . . . 36 LEU CD1 . 52205 1 251 . 1 . 1 36 36 LEU CD2 C 13 24.362 0.3 . 1 . . . . . 36 LEU CD2 . 52205 1 252 . 1 . 1 36 36 LEU N N 15 121.405 0.3 . 1 . . . . . 36 LEU N . 52205 1 253 . 1 . 1 37 37 THR H H 1 7.868 0.020 . 1 . . . . . 37 THR H . 52205 1 254 . 1 . 1 37 37 THR HA H 1 3.654 0.020 . 1 . . . . . 37 THR HA . 52205 1 255 . 1 . 1 37 37 THR HB H 1 3.916 0.020 . 1 . . . . . 37 THR HB . 52205 1 256 . 1 . 1 37 37 THR HG21 H 1 1.092 0.020 . 1 . . . . . 37 THR QG2 . 52205 1 257 . 1 . 1 37 37 THR HG22 H 1 1.092 0.020 . 1 . . . . . 37 THR QG2 . 52205 1 258 . 1 . 1 37 37 THR HG23 H 1 1.092 0.020 . 1 . . . . . 37 THR QG2 . 52205 1 259 . 1 . 1 37 37 THR C C 13 176.430 0.3 . 1 . . . . . 37 THR C . 52205 1 260 . 1 . 1 37 37 THR CA C 13 66.710 0.3 . 1 . . . . . 37 THR CA . 52205 1 261 . 1 . 1 37 37 THR CB C 13 69.062 0.3 . 1 . . . . . 37 THR CB . 52205 1 262 . 1 . 1 37 37 THR CG2 C 13 21.409 0.3 . 1 . . . . . 37 THR CG2 . 52205 1 263 . 1 . 1 37 37 THR N N 15 113.381 0.3 . 1 . . . . . 37 THR N . 52205 1 264 . 1 . 1 38 38 GLU H H 1 7.681 0.020 . 1 . . . . . 38 GLU H . 52205 1 265 . 1 . 1 38 38 GLU HA H 1 3.793 0.020 . 1 . . . . . 38 GLU HA . 52205 1 266 . 1 . 1 38 38 GLU HB2 H 1 2.337 0.020 . 2 . . . . . 38 GLU HB2 . 52205 1 267 . 1 . 1 38 38 GLU HB3 H 1 1.685 0.020 . 2 . . . . . 38 GLU HB3 . 52205 1 268 . 1 . 1 38 38 GLU HG2 H 1 2.127 0.020 . 1 . . . . . 38 GLU HG2 . 52205 1 269 . 1 . 1 38 38 GLU HG3 H 1 2.127 0.020 . 1 . . . . . 38 GLU HG3 . 52205 1 270 . 1 . 1 38 38 GLU C C 13 179.198 0.3 . 1 . . . . . 38 GLU C . 52205 1 271 . 1 . 1 38 38 GLU CA C 13 59.297 0.3 . 1 . . . . . 38 GLU CA . 52205 1 272 . 1 . 1 38 38 GLU CB C 13 30.031 0.3 . 1 . . . . . 38 GLU CB . 52205 1 273 . 1 . 1 38 38 GLU CG C 13 37.631 0.3 . 1 . . . . . 38 GLU CG . 52205 1 274 . 1 . 1 38 38 GLU N N 15 122.230 0.3 . 1 . . . . . 38 GLU N . 52205 1 275 . 1 . 1 39 39 VAL H H 1 8.046 0.020 . 1 . . . . . 39 VAL H . 52205 1 276 . 1 . 1 39 39 VAL HA H 1 3.337 0.020 . 1 . . . . . 39 VAL HA . 52205 1 277 . 1 . 1 39 39 VAL HB H 1 2.102 0.020 . 1 . . . . . 39 VAL HB . 52205 1 278 . 1 . 1 39 39 VAL HG11 H 1 0.733 0.020 . 1 . . . . . 39 VAL QG1 . 52205 1 279 . 1 . 1 39 39 VAL HG12 H 1 0.733 0.020 . 1 . . . . . 39 VAL QG1 . 52205 1 280 . 1 . 1 39 39 VAL HG13 H 1 0.733 0.020 . 1 . . . . . 39 VAL QG1 . 52205 1 281 . 1 . 1 39 39 VAL HG21 H 1 0.803 0.020 . 1 . . . . . 39 VAL QG2 . 52205 1 282 . 1 . 1 39 39 VAL HG22 H 1 0.803 0.020 . 1 . . . . . 39 VAL QG2 . 52205 1 283 . 1 . 1 39 39 VAL HG23 H 1 0.803 0.020 . 1 . . . . . 39 VAL QG2 . 52205 1 284 . 1 . 1 39 39 VAL C C 13 178.737 0.3 . 1 . . . . . 39 VAL C . 52205 1 285 . 1 . 1 39 39 VAL CA C 13 66.371 0.3 . 1 . . . . . 39 VAL CA . 52205 1 286 . 1 . 1 39 39 VAL CB C 13 31.728 0.3 . 1 . . . . . 39 VAL CB . 52205 1 287 . 1 . 1 39 39 VAL CG1 C 13 23.539 0.3 . 1 . . . . . 39 VAL CG1 . 52205 1 288 . 1 . 1 39 39 VAL CG2 C 13 22.453 0.3 . 1 . . . . . 39 VAL CG2 . 52205 1 289 . 1 . 1 39 39 VAL N N 15 119.173 0.3 . 1 . . . . . 39 VAL N . 52205 1 290 . 1 . 1 40 40 LYS H H 1 7.877 0.020 . 1 . . . . . 40 LYS H . 52205 1 291 . 1 . 1 40 40 LYS HA H 1 3.785 0.020 . 1 . . . . . 40 LYS HA . 52205 1 292 . 1 . 1 40 40 LYS HB2 H 1 1.672 0.020 . 2 . . . . . 40 LYS HB2 . 52205 1 293 . 1 . 1 40 40 LYS HB3 H 1 1.625 0.020 . 2 . . . . . 40 LYS HB3 . 52205 1 294 . 1 . 1 40 40 LYS HG2 H 1 1.524 0.020 . 2 . . . . . 40 LYS HG2 . 52205 1 295 . 1 . 1 40 40 LYS HG3 H 1 1.140 0.020 . 2 . . . . . 40 LYS HG3 . 52205 1 296 . 1 . 1 40 40 LYS HD2 H 1 1.545 0.020 . 1 . . . . . 40 LYS HD2 . 52205 1 297 . 1 . 1 40 40 LYS HD3 H 1 1.545 0.020 . 1 . . . . . 40 LYS HD3 . 52205 1 298 . 1 . 1 40 40 LYS HE2 H 1 2.752 0.020 . 1 . . . . . 40 LYS HE2 . 52205 1 299 . 1 . 1 40 40 LYS HE3 H 1 2.752 0.020 . 1 . . . . . 40 LYS HE3 . 52205 1 300 . 1 . 1 40 40 LYS C C 13 177.664 0.3 . 1 . . . . . 40 LYS C . 52205 1 301 . 1 . 1 40 40 LYS CA C 13 58.855 0.3 . 1 . . . . . 40 LYS CA . 52205 1 302 . 1 . 1 40 40 LYS CB C 13 32.662 0.3 . 1 . . . . . 40 LYS CB . 52205 1 303 . 1 . 1 40 40 LYS CG C 13 26.802 0.3 . 1 . . . . . 40 LYS CG . 52205 1 304 . 1 . 1 40 40 LYS CD C 13 29.493 0.3 . 1 . . . . . 40 LYS CD . 52205 1 305 . 1 . 1 40 40 LYS CE C 13 42.084 0.3 . 1 . . . . . 40 LYS CE . 52205 1 306 . 1 . 1 40 40 LYS N N 15 113.088 0.3 . 1 . . . . . 40 LYS N . 52205 1 307 . 1 . 1 41 41 ALA H H 1 7.363 0.020 . 1 . . . . . 41 ALA H . 52205 1 308 . 1 . 1 41 41 ALA HA H 1 4.128 0.020 . 1 . . . . . 41 ALA HA . 52205 1 309 . 1 . 1 41 41 ALA HB1 H 1 1.320 0.020 . 1 . . . . . 41 ALA HB# . 52205 1 310 . 1 . 1 41 41 ALA HB2 H 1 1.320 0.020 . 1 . . . . . 41 ALA HB# . 52205 1 311 . 1 . 1 41 41 ALA HB3 H 1 1.320 0.020 . 1 . . . . . 41 ALA HB# . 52205 1 312 . 1 . 1 41 41 ALA C C 13 177.135 0.3 . 1 . . . . . 41 ALA C . 52205 1 313 . 1 . 1 41 41 ALA CA C 13 52.468 0.3 . 1 . . . . . 41 ALA CA . 52205 1 314 . 1 . 1 41 41 ALA CB C 13 19.276 0.3 . 1 . . . . . 41 ALA CB . 52205 1 315 . 1 . 1 41 41 ALA N N 15 120.389 0.3 . 1 . . . . . 41 ALA N . 52205 1 316 . 1 . 1 42 42 ALA H H 1 6.988 0.020 . 1 . . . . . 42 ALA H . 52205 1 317 . 1 . 1 42 42 ALA HA H 1 4.350 0.020 . 1 . . . . . 42 ALA HA . 52205 1 318 . 1 . 1 42 42 ALA HB1 H 1 1.338 0.020 . 1 . . . . . 42 ALA HB# . 52205 1 319 . 1 . 1 42 42 ALA HB2 H 1 1.338 0.020 . 1 . . . . . 42 ALA HB# . 52205 1 320 . 1 . 1 42 42 ALA HB3 H 1 1.338 0.020 . 1 . . . . . 42 ALA HB# . 52205 1 321 . 1 . 1 42 42 ALA C C 13 176.785 0.3 . 1 . . . . . 42 ALA C . 52205 1 322 . 1 . 1 42 42 ALA CA C 13 50.659 0.3 . 1 . . . . . 42 ALA CA . 52205 1 323 . 1 . 1 42 42 ALA CB C 13 21.212 0.3 . 1 . . . . . 42 ALA CB . 52205 1 324 . 1 . 1 42 42 ALA N N 15 121.913 0.3 . 1 . . . . . 42 ALA N . 52205 1 325 . 1 . 1 43 43 ALA H H 1 8.228 0.020 . 1 . . . . . 43 ALA H . 52205 1 326 . 1 . 1 43 43 ALA HA H 1 4.091 0.020 . 1 . . . . . 43 ALA HA . 52205 1 327 . 1 . 1 43 43 ALA HB1 H 1 1.312 0.020 . 1 . . . . . 43 ALA HB# . 52205 1 328 . 1 . 1 43 43 ALA HB2 H 1 1.312 0.020 . 1 . . . . . 43 ALA HB# . 52205 1 329 . 1 . 1 43 43 ALA HB3 H 1 1.312 0.020 . 1 . . . . . 43 ALA HB# . 52205 1 330 . 1 . 1 43 43 ALA C C 13 178.175 0.3 . 1 . . . . . 43 ALA C . 52205 1 331 . 1 . 1 43 43 ALA CA C 13 51.669 0.3 . 1 . . . . . 43 ALA CA . 52205 1 332 . 1 . 1 43 43 ALA CB C 13 18.924 0.3 . 1 . . . . . 43 ALA CB . 52205 1 333 . 1 . 1 43 43 ALA N N 15 122.834 0.3 . 1 . . . . . 43 ALA N . 52205 1 334 . 1 . 1 44 44 ALA H H 1 8.549 0.020 . 1 . . . . . 44 ALA H . 52205 1 335 . 1 . 1 44 44 ALA HA H 1 4.083 0.020 . 1 . . . . . 44 ALA HA . 52205 1 336 . 1 . 1 44 44 ALA HB1 H 1 1.266 0.020 . 1 . . . . . 44 ALA HB# . 52205 1 337 . 1 . 1 44 44 ALA HB2 H 1 1.266 0.020 . 1 . . . . . 44 ALA HB# . 52205 1 338 . 1 . 1 44 44 ALA HB3 H 1 1.266 0.020 . 1 . . . . . 44 ALA HB# . 52205 1 339 . 1 . 1 44 44 ALA CA C 13 52.496 0.3 . 1 . . . . . 44 ALA CA . 52205 1 340 . 1 . 1 44 44 ALA CB C 13 19.192 0.3 . 1 . . . . . 44 ALA CB . 52205 1 341 . 1 . 1 44 44 ALA N N 15 124.175 0.3 . 1 . . . . . 44 ALA N . 52205 1 342 . 1 . 1 45 45 ASP H H 1 9.179 0.020 . 1 . . . . . 45 ASP H . 52205 1 343 . 1 . 1 45 45 ASP HA H 1 3.819 0.020 . 1 . . . . . 45 ASP HA . 52205 1 344 . 1 . 1 45 45 ASP HB2 H 1 2.722 0.020 . 2 . . . . . 45 ASP HB2 . 52205 1 345 . 1 . 1 45 45 ASP HB3 H 1 2.587 0.020 . 2 . . . . . 45 ASP HB3 . 52205 1 346 . 1 . 1 45 45 ASP C C 13 174.177 0.3 . 1 . . . . . 45 ASP C . 52205 1 347 . 1 . 1 45 45 ASP CA C 13 56.412 0.3 . 1 . . . . . 45 ASP CA . 52205 1 348 . 1 . 1 45 45 ASP CB C 13 39.408 0.3 . 1 . . . . . 45 ASP CB . 52205 1 349 . 1 . 1 45 45 ASP N N 15 114.849 0.3 . 1 . . . . . 45 ASP N . 52205 1 350 . 1 . 1 46 46 THR H H 1 7.967 0.020 . 1 . . . . . 46 THR H . 52205 1 351 . 1 . 1 46 46 THR HA H 1 4.699 0.020 . 1 . . . . . 46 THR HA . 52205 1 352 . 1 . 1 46 46 THR HB H 1 4.009 0.020 . 1 . . . . . 46 THR HB . 52205 1 353 . 1 . 1 46 46 THR HG1 H 1 5.463 0.020 . 1 . . . . . 46 THR HG1 . 52205 1 354 . 1 . 1 46 46 THR HG21 H 1 1.014 0.020 . 1 . . . . . 46 THR QG2 . 52205 1 355 . 1 . 1 46 46 THR HG22 H 1 1.014 0.020 . 1 . . . . . 46 THR QG2 . 52205 1 356 . 1 . 1 46 46 THR HG23 H 1 1.014 0.020 . 1 . . . . . 46 THR QG2 . 52205 1 357 . 1 . 1 46 46 THR C C 13 174.208 0.3 . 1 . . . . . 46 THR C . 52205 1 358 . 1 . 1 46 46 THR CA C 13 60.627 0.3 . 1 . . . . . 46 THR CA . 52205 1 359 . 1 . 1 46 46 THR CB C 13 71.779 0.3 . 1 . . . . . 46 THR CB . 52205 1 360 . 1 . 1 46 46 THR CG2 C 13 21.664 0.3 . 1 . . . . . 46 THR CG2 . 52205 1 361 . 1 . 1 46 46 THR N N 15 108.013 0.3 . 1 . . . . . 46 THR N . 52205 1 362 . 1 . 1 47 47 TYR H H 1 8.844 0.020 . 1 . . . . . 47 TYR H . 52205 1 363 . 1 . 1 47 47 TYR HA H 1 4.811 0.020 . 1 . . . . . 47 TYR HA . 52205 1 364 . 1 . 1 47 47 TYR HB2 H 1 3.116 0.020 . 2 . . . . . 47 TYR HB2 . 52205 1 365 . 1 . 1 47 47 TYR HB3 H 1 2.833 0.020 . 2 . . . . . 47 TYR HB3 . 52205 1 366 . 1 . 1 47 47 TYR HD1 H 1 6.705 0.020 . 1 . . . . . 47 TYR HD1 . 52205 1 367 . 1 . 1 47 47 TYR HD2 H 1 6.705 0.020 . 1 . . . . . 47 TYR HD2 . 52205 1 368 . 1 . 1 47 47 TYR HE1 H 1 6.627 0.020 . 1 . . . . . 47 TYR HE1 . 52205 1 369 . 1 . 1 47 47 TYR HE2 H 1 6.627 0.020 . 1 . . . . . 47 TYR HE2 . 52205 1 370 . 1 . 1 47 47 TYR C C 13 176.712 0.3 . 1 . . . . . 47 TYR C . 52205 1 371 . 1 . 1 47 47 TYR CA C 13 53.784 0.3 . 1 . . . . . 47 TYR CA . 52205 1 372 . 1 . 1 47 47 TYR CB C 13 39.917 0.3 . 1 . . . . . 47 TYR CB . 52205 1 373 . 1 . 1 47 47 TYR CD1 C 13 129.82 0.3 . 1 . . . . . 47 TYR CD1 . 52205 1 374 . 1 . 1 47 47 TYR CD2 C 13 129.82 0.3 . 1 . . . . . 47 TYR CD2 . 52205 1 375 . 1 . 1 47 47 TYR N N 15 123.342 0.3 . 1 . . . . . 47 TYR N . 52205 1 376 . 1 . 1 48 48 LEU H H 1 9.435 0.020 . 1 . . . . . 48 LEU H . 52205 1 377 . 1 . 1 48 48 LEU HA H 1 4.543 0.020 . 1 . . . . . 48 LEU HA . 52205 1 378 . 1 . 1 48 48 LEU HB2 H 1 1.837 0.020 . 2 . . . . . 48 LEU HB2 . 52205 1 379 . 1 . 1 48 48 LEU HB3 H 1 1.043 0.020 . 2 . . . . . 48 LEU HB3 . 52205 1 380 . 1 . 1 48 48 LEU HG H 1 0.740 0.020 . 1 . . . . . 48 LEU HG . 52205 1 381 . 1 . 1 48 48 LEU HD11 H 1 0.648 0.020 . 2 . . . . . 48 LEU QD1 . 52205 1 382 . 1 . 1 48 48 LEU HD12 H 1 0.648 0.020 . 2 . . . . . 48 LEU QD1 . 52205 1 383 . 1 . 1 48 48 LEU HD13 H 1 0.648 0.020 . 2 . . . . . 48 LEU QD1 . 52205 1 384 . 1 . 1 48 48 LEU HD21 H 1 0.618 0.020 . 2 . . . . . 48 LEU QD2 . 52205 1 385 . 1 . 1 48 48 LEU HD22 H 1 0.618 0.020 . 2 . . . . . 48 LEU QD2 . 52205 1 386 . 1 . 1 48 48 LEU HD23 H 1 0.618 0.020 . 2 . . . . . 48 LEU QD2 . 52205 1 387 . 1 . 1 48 48 LEU C C 13 174.737 0.3 . 1 . . . . . 48 LEU C . 52205 1 388 . 1 . 1 48 48 LEU CA C 13 53.586 0.3 . 1 . . . . . 48 LEU CA . 52205 1 389 . 1 . 1 48 48 LEU CB C 13 44.937 0.3 . 1 . . . . . 48 LEU CB . 52205 1 390 . 1 . 1 48 48 LEU CG C 13 26.691 0.3 . 1 . . . . . 48 LEU CG . 52205 1 391 . 1 . 1 48 48 LEU CD1 C 13 23.725 0.3 . 1 . . . . . 48 LEU CD1 . 52205 1 392 . 1 . 1 48 48 LEU CD2 C 13 22.719 0.3 . 1 . . . . . 48 LEU CD2 . 52205 1 393 . 1 . 1 48 48 LEU N N 15 128.368 0.3 . 1 . . . . . 48 LEU N . 52205 1 394 . 1 . 1 49 49 LYS H H 1 8.989 0.020 . 1 . . . . . 49 LYS H . 52205 1 395 . 1 . 1 49 49 LYS HA H 1 4.525 0.020 . 1 . . . . . 49 LYS HA . 52205 1 396 . 1 . 1 49 49 LYS HB2 H 1 1.816 0.020 . 2 . . . . . 49 LYS HB2 . 52205 1 397 . 1 . 1 49 49 LYS HB3 H 1 2.088 0.020 . 2 . . . . . 49 LYS HB3 . 52205 1 398 . 1 . 1 49 49 LYS HG2 H 1 1.684 0.020 . 2 . . . . . 49 LYS HG2 . 52205 1 399 . 1 . 1 49 49 LYS HG3 H 1 1.581 0.020 . 2 . . . . . 49 LYS HG3 . 52205 1 400 . 1 . 1 49 49 LYS HD2 H 1 1.395 0.020 . 2 . . . . . 49 LYS HD2 . 52205 1 401 . 1 . 1 49 49 LYS HD3 H 1 1.288 0.020 . 2 . . . . . 49 LYS HD3 . 52205 1 402 . 1 . 1 49 49 LYS CA C 13 54.392 0.3 . 1 . . . . . 49 LYS CA . 52205 1 403 . 1 . 1 49 49 LYS CB C 13 31.253 0.3 . 1 . . . . . 49 LYS CB . 52205 1 404 . 1 . 1 49 49 LYS CG C 13 28.027 0.3 . 1 . . . . . 49 LYS CG . 52205 1 405 . 1 . 1 49 49 LYS CD C 13 24.720 0.3 . 1 . . . . . 49 LYS CD . 52205 1 406 . 1 . 1 49 49 LYS N N 15 118.031 0.3 . 1 . . . . . 49 LYS N . 52205 1 407 . 1 . 1 50 50 PRO HA H 1 4.465 0.020 . 1 . . . . . 50 PRO HA . 52205 1 408 . 1 . 1 50 50 PRO HB2 H 1 1.231 0.020 . 2 . . . . . 50 PRO HB2 . 52205 1 409 . 1 . 1 50 50 PRO HB3 H 1 0.689 0.020 . 2 . . . . . 50 PRO HB3 . 52205 1 410 . 1 . 1 50 50 PRO HG2 H 1 1.729 0.020 . 2 . . . . . 50 PRO HG2 . 52205 1 411 . 1 . 1 50 50 PRO HG3 H 1 1.199 0.020 . 2 . . . . . 50 PRO HG3 . 52205 1 412 . 1 . 1 50 50 PRO HD2 H 1 3.399 0.020 . 2 . . . . . 50 PRO HD2 . 52205 1 413 . 1 . 1 50 50 PRO HD3 H 1 2.798 0.020 . 2 . . . . . 50 PRO HD3 . 52205 1 414 . 1 . 1 50 50 PRO C C 13 177.893 0.3 . 1 . . . . . 50 PRO C . 52205 1 415 . 1 . 1 50 50 PRO CA C 13 62.237 0.3 . 1 . . . . . 50 PRO CA . 52205 1 416 . 1 . 1 50 50 PRO CB C 13 31.265 0.3 . 1 . . . . . 50 PRO CB . 52205 1 417 . 1 . 1 50 50 PRO CG C 13 27.818 0.3 . 1 . . . . . 50 PRO CG . 52205 1 418 . 1 . 1 50 50 PRO CD C 13 50.118 0.3 . 1 . . . . . 50 PRO CD . 52205 1 419 . 1 . 1 51 51 LYS H H 1 9.633 0.020 . 1 . . . . . 51 LYS H . 52205 1 420 . 1 . 1 51 51 LYS HA H 1 4.733 0.020 . 1 . . . . . 51 LYS HA . 52205 1 421 . 1 . 1 51 51 LYS HB2 H 1 2.125 0.020 . 2 . . . . . 51 LYS HB2 . 52205 1 422 . 1 . 1 51 51 LYS HB3 H 1 1.841 0.020 . 2 . . . . . 51 LYS HB3 . 52205 1 423 . 1 . 1 51 51 LYS HG2 H 1 1.558 0.020 . 2 . . . . . 51 LYS HG2 . 52205 1 424 . 1 . 1 51 51 LYS HG3 H 1 1.441 0.020 . 2 . . . . . 51 LYS HG3 . 52205 1 425 . 1 . 1 51 51 LYS HD2 H 1 1.829 0.020 . 2 . . . . . 51 LYS HD2 . 52205 1 426 . 1 . 1 51 51 LYS HD3 H 1 1.740 0.020 . 2 . . . . . 51 LYS HD3 . 52205 1 427 . 1 . 1 51 51 LYS HE2 H 1 3.149 0.020 . 1 . . . . . 51 LYS HE2 . 52205 1 428 . 1 . 1 51 51 LYS HE3 H 1 3.149 0.020 . 1 . . . . . 51 LYS HE3 . 52205 1 429 . 1 . 1 51 51 LYS C C 13 174.790 0.3 . 1 . . . . . 51 LYS C . 52205 1 430 . 1 . 1 51 51 LYS CA C 13 54.181 0.3 . 1 . . . . . 51 LYS CA . 52205 1 431 . 1 . 1 51 51 LYS CB C 13 35.023 0.3 . 1 . . . . . 51 LYS CB . 52205 1 432 . 1 . 1 51 51 LYS CG C 13 23.784 0.3 . 1 . . . . . 51 LYS CG . 52205 1 433 . 1 . 1 51 51 LYS CD C 13 29.159 0.3 . 1 . . . . . 51 LYS CD . 52205 1 434 . 1 . 1 51 51 LYS CE C 13 42.620 0.3 . 1 . . . . . 51 LYS CE . 52205 1 435 . 1 . 1 51 51 LYS N N 15 126.124 0.3 . 1 . . . . . 51 LYS N . 52205 1 436 . 1 . 1 52 52 SER H H 1 8.476 0.020 . 1 . . . . . 52 SER H . 52205 1 437 . 1 . 1 52 52 SER HA H 1 4.726 0.020 . 1 . . . . . 52 SER HA . 52205 1 438 . 1 . 1 52 52 SER HB2 H 1 3.176 0.020 . 2 . . . . . 52 SER HB2 . 52205 1 439 . 1 . 1 52 52 SER HB3 H 1 3.098 0.020 . 2 . . . . . 52 SER HB3 . 52205 1 440 . 1 . 1 52 52 SER C C 13 174.843 0.3 . 1 . . . . . 52 SER C . 52205 1 441 . 1 . 1 52 52 SER CA C 13 56.462 0.3 . 1 . . . . . 52 SER CA . 52205 1 442 . 1 . 1 52 52 SER CB C 13 64.722 0.3 . 1 . . . . . 52 SER CB . 52205 1 443 . 1 . 1 52 52 SER N N 15 120.264 0.3 . 1 . . . . . 52 SER N . 52205 1 444 . 1 . 1 53 53 PHE H H 1 8.926 0.020 . 1 . . . . . 53 PHE H . 52205 1 445 . 1 . 1 53 53 PHE HA H 1 5.073 0.020 . 1 . . . . . 53 PHE HA . 52205 1 446 . 1 . 1 53 53 PHE HB2 H 1 3.040 0.020 . 2 . . . . . 53 PHE HB2 . 52205 1 447 . 1 . 1 53 53 PHE HB3 H 1 2.773 0.020 . 2 . . . . . 53 PHE HB3 . 52205 1 448 . 1 . 1 53 53 PHE HD1 H 1 6.952 0.020 . 1 . . . . . 53 PHE HD1 . 52205 1 449 . 1 . 1 53 53 PHE HD2 H 1 6.952 0.020 . 1 . . . . . 53 PHE HD2 . 52205 1 450 . 1 . 1 53 53 PHE HE1 H 1 7.016 0.020 . 1 . . . . . 53 PHE HE1 . 52205 1 451 . 1 . 1 53 53 PHE HE2 H 1 7.016 0.020 . 1 . . . . . 53 PHE HE2 . 52205 1 452 . 1 . 1 53 53 PHE C C 13 172.568 0.3 . 1 . . . . . 53 PHE C . 52205 1 453 . 1 . 1 53 53 PHE CA C 13 56.498 0.3 . 1 . . . . . 53 PHE CA . 52205 1 454 . 1 . 1 53 53 PHE CB C 13 41.763 0.3 . 1 . . . . . 53 PHE CB . 52205 1 455 . 1 . 1 53 53 PHE CD1 C 13 132.928 0.3 . 1 . . . . . 53 PHE CD1 . 52205 1 456 . 1 . 1 53 53 PHE CD2 C 13 132.928 0.3 . 1 . . . . . 53 PHE CD2 . 52205 1 457 . 1 . 1 53 53 PHE N N 15 117.050 0.3 . 1 . . . . . 53 PHE N . 52205 1 458 . 1 . 1 54 54 THR H H 1 8.109 0.020 . 1 . . . . . 54 THR H . 52205 1 459 . 1 . 1 54 54 THR HA H 1 5.173 0.020 . 1 . . . . . 54 THR HA . 52205 1 460 . 1 . 1 54 54 THR HB H 1 4.093 0.020 . 1 . . . . . 54 THR HB . 52205 1 461 . 1 . 1 54 54 THR HG21 H 1 0.954 0.020 . 1 . . . . . 54 THR QG2 . 52205 1 462 . 1 . 1 54 54 THR HG22 H 1 0.954 0.020 . 1 . . . . . 54 THR QG2 . 52205 1 463 . 1 . 1 54 54 THR HG23 H 1 0.954 0.020 . 1 . . . . . 54 THR QG2 . 52205 1 464 . 1 . 1 54 54 THR C C 13 174.843 0.3 . 1 . . . . . 54 THR C . 52205 1 465 . 1 . 1 54 54 THR CA C 13 59.105 0.3 . 1 . . . . . 54 THR CA . 52205 1 466 . 1 . 1 54 54 THR CB C 13 72.061 0.3 . 1 . . . . . 54 THR CB . 52205 1 467 . 1 . 1 54 54 THR CG2 C 13 21.519 0.3 . 1 . . . . . 54 THR CG2 . 52205 1 468 . 1 . 1 54 54 THR N N 15 107.379 0.3 . 1 . . . . . 54 THR N . 52205 1 469 . 1 . 1 55 55 ILE H H 1 9.414 0.020 . 1 . . . . . 55 ILE H . 52205 1 470 . 1 . 1 55 55 ILE HA H 1 4.255 0.020 . 1 . . . . . 55 ILE HA . 52205 1 471 . 1 . 1 55 55 ILE HB H 1 1.755 0.020 . 1 . . . . . 55 ILE HB . 52205 1 472 . 1 . 1 55 55 ILE HG12 H 1 1.600 0.020 . 2 . . . . . 55 ILE HG12 . 52205 1 473 . 1 . 1 55 55 ILE HG13 H 1 0.865 0.020 . 2 . . . . . 55 ILE HG13 . 52205 1 474 . 1 . 1 55 55 ILE HG21 H 1 0.308 0.020 . 1 . . . . . 55 ILE QG2 . 52205 1 475 . 1 . 1 55 55 ILE HG22 H 1 0.308 0.020 . 1 . . . . . 55 ILE QG2 . 52205 1 476 . 1 . 1 55 55 ILE HG23 H 1 0.308 0.020 . 1 . . . . . 55 ILE QG2 . 52205 1 477 . 1 . 1 55 55 ILE HD11 H 1 -0.044 0.020 . 1 . . . . . 55 ILE QD1 . 52205 1 478 . 1 . 1 55 55 ILE HD12 H 1 -0.044 0.020 . 1 . . . . . 55 ILE QD1 . 52205 1 479 . 1 . 1 55 55 ILE HD13 H 1 -0.044 0.020 . 1 . . . . . 55 ILE QD1 . 52205 1 480 . 1 . 1 55 55 ILE C C 13 173.873 0.3 . 1 . . . . . 55 ILE C . 52205 1 481 . 1 . 1 55 55 ILE CA C 13 62.914 0.3 . 1 . . . . . 55 ILE CA . 52205 1 482 . 1 . 1 55 55 ILE CB C 13 40.160 0.3 . 1 . . . . . 55 ILE CB . 52205 1 483 . 1 . 1 55 55 ILE CG1 C 13 27.095 0.3 . 1 . . . . . 55 ILE CG1 . 52205 1 484 . 1 . 1 55 55 ILE CG2 C 13 16.432 0.3 . 1 . . . . . 55 ILE CG2 . 52205 1 485 . 1 . 1 55 55 ILE CD1 C 13 12.665 0.3 . 1 . . . . . 55 ILE CD1 . 52205 1 486 . 1 . 1 55 55 ILE N N 15 121.578 0.3 . 1 . . . . . 55 ILE N . 52205 1 487 . 1 . 1 56 56 ASP H H 1 8.684 0.020 . 1 . . . . . 56 ASP H . 52205 1 488 . 1 . 1 56 56 ASP HA H 1 5.512 0.020 . 1 . . . . . 56 ASP HA . 52205 1 489 . 1 . 1 56 56 ASP HB2 H 1 2.611 0.020 . 2 . . . . . 56 ASP HB2 . 52205 1 490 . 1 . 1 56 56 ASP HB3 H 1 2.388 0.020 . 2 . . . . . 56 ASP HB3 . 52205 1 491 . 1 . 1 56 56 ASP C C 13 175.789 0.3 . 1 . . . . . 56 ASP C . 52205 1 492 . 1 . 1 56 56 ASP CA C 13 52.916 0.3 . 1 . . . . . 56 ASP CA . 52205 1 493 . 1 . 1 56 56 ASP CB C 13 42.045 0.3 . 1 . . . . . 56 ASP CB . 52205 1 494 . 1 . 1 56 56 ASP N N 15 128.508 0.3 . 1 . . . . . 56 ASP N . 52205 1 495 . 1 . 1 57 57 VAL H H 1 9.053 0.020 . 1 . . . . . 57 VAL H . 52205 1 496 . 1 . 1 57 57 VAL HA H 1 4.831 0.020 . 1 . . . . . 57 VAL HA . 52205 1 497 . 1 . 1 57 57 VAL HB H 1 2.033 0.020 . 1 . . . . . 57 VAL HB . 52205 1 498 . 1 . 1 57 57 VAL HG11 H 1 0.942 0.020 . 1 . . . . . 57 VAL QG1 . 52205 1 499 . 1 . 1 57 57 VAL HG12 H 1 0.942 0.020 . 1 . . . . . 57 VAL QG1 . 52205 1 500 . 1 . 1 57 57 VAL HG13 H 1 0.942 0.020 . 1 . . . . . 57 VAL QG1 . 52205 1 501 . 1 . 1 57 57 VAL HG21 H 1 0.897 0.020 . 1 . . . . . 57 VAL QG2 . 52205 1 502 . 1 . 1 57 57 VAL HG22 H 1 0.897 0.020 . 1 . . . . . 57 VAL QG2 . 52205 1 503 . 1 . 1 57 57 VAL HG23 H 1 0.897 0.020 . 1 . . . . . 57 VAL QG2 . 52205 1 504 . 1 . 1 57 57 VAL C C 13 174.014 0.3 . 1 . . . . . 57 VAL C . 52205 1 505 . 1 . 1 57 57 VAL CA C 13 60.757 0.3 . 1 . . . . . 57 VAL CA . 52205 1 506 . 1 . 1 57 57 VAL CB C 13 34.387 0.3 . 1 . . . . . 57 VAL CB . 52205 1 507 . 1 . 1 57 57 VAL CG1 C 13 22.885 0.3 . 1 . . . . . 57 VAL CG1 . 52205 1 508 . 1 . 1 57 57 VAL CG2 C 13 22.081 0.3 . 1 . . . . . 57 VAL CG2 . 52205 1 509 . 1 . 1 57 57 VAL N N 15 125.599 0.3 . 1 . . . . . 57 VAL N . 52205 1 510 . 1 . 1 58 58 SER H H 1 9.192 0.020 . 1 . . . . . 58 SER H . 52205 1 511 . 1 . 1 58 58 SER HA H 1 4.936 0.020 . 1 . . . . . 58 SER HA . 52205 1 512 . 1 . 1 58 58 SER HB2 H 1 3.691 0.020 . 2 . . . . . 58 SER HB2 . 52205 1 513 . 1 . 1 58 58 SER HB3 H 1 3.551 0.020 . 2 . . . . . 58 SER HB3 . 52205 1 514 . 1 . 1 58 58 SER C C 13 171.545 0.3 . 1 . . . . . 58 SER C . 52205 1 515 . 1 . 1 58 58 SER CA C 13 56.905 0.3 . 1 . . . . . 58 SER CA . 52205 1 516 . 1 . 1 58 58 SER CB C 13 66.749 0.3 . 1 . . . . . 58 SER CB . 52205 1 517 . 1 . 1 58 58 SER N N 15 117.977 0.3 . 1 . . . . . 58 SER N . 52205 1 518 . 1 . 1 59 59 ASN H H 1 8.514 0.020 . 1 . . . . . 59 ASN H . 52205 1 519 . 1 . 1 59 59 ASN HA H 1 4.330 0.020 . 1 . . . . . 59 ASN HA . 52205 1 520 . 1 . 1 59 59 ASN HB2 H 1 2.944 0.020 . 2 . . . . . 59 ASN HB2 . 52205 1 521 . 1 . 1 59 59 ASN HB3 H 1 2.513 0.020 . 2 . . . . . 59 ASN HB3 . 52205 1 522 . 1 . 1 59 59 ASN HD21 H 1 6.676 0.020 . 1 . . . . . 59 ASN HD21 . 52205 1 523 . 1 . 1 59 59 ASN HD22 H 1 7.263 0.020 . 1 . . . . . 59 ASN HD22 . 52205 1 524 . 1 . 1 59 59 ASN C C 13 174.102 0.3 . 1 . . . . . 59 ASN C . 52205 1 525 . 1 . 1 59 59 ASN CA C 13 54.104 0.3 . 1 . . . . . 59 ASN CA . 52205 1 526 . 1 . 1 59 59 ASN CB C 13 37.643 0.3 . 1 . . . . . 59 ASN CB . 52205 1 527 . 1 . 1 59 59 ASN N N 15 115.012 0.3 . 1 . . . . . 59 ASN N . 52205 1 528 . 1 . 1 59 59 ASN ND2 N 15 111.416 0.3 . 1 . . . . . 59 ASN ND2 . 52205 1 529 . 1 . 1 60 60 CYS H H 1 8.817 0.020 . 1 . . . . . 60 CYS H . 52205 1 530 . 1 . 1 60 60 CYS HA H 1 4.627 0.020 . 1 . . . . . 60 CYS HA . 52205 1 531 . 1 . 1 60 60 CYS HB2 H 1 3.052 0.020 . 2 . . . . . 60 CYS HB2 . 52205 1 532 . 1 . 1 60 60 CYS HB3 H 1 2.599 0.020 . 2 . . . . . 60 CYS HB3 . 52205 1 533 . 1 . 1 60 60 CYS C C 13 174.966 0.3 . 1 . . . . . 60 CYS C . 52205 1 534 . 1 . 1 60 60 CYS CA C 13 59.272 0.3 . 1 . . . . . 60 CYS CA . 52205 1 535 . 1 . 1 60 60 CYS CB C 13 26.406 0.3 . 1 . . . . . 60 CYS CB . 52205 1 536 . 1 . 1 60 60 CYS N N 15 118.905 0.3 . 1 . . . . . 60 CYS N . 52205 1 537 . 1 . 1 61 61 GLN H H 1 9.046 0.020 . 1 . . . . . 61 GLN H . 52205 1 538 . 1 . 1 61 61 GLN HA H 1 4.777 0.020 . 1 . . . . . 61 GLN HA . 52205 1 539 . 1 . 1 61 61 GLN HB2 H 1 1.592 0.020 . 1 . . . . . 61 GLN HB2 . 52205 1 540 . 1 . 1 61 61 GLN HB3 H 1 1.592 0.020 . 1 . . . . . 61 GLN HB3 . 52205 1 541 . 1 . 1 61 61 GLN HG2 H 1 1.959 0.020 . 2 . . . . . 61 GLN HG2 . 52205 1 542 . 1 . 1 61 61 GLN HG3 H 1 1.781 0.020 . 2 . . . . . 61 GLN HG3 . 52205 1 543 . 1 . 1 61 61 GLN HE21 H 1 7.205 0.020 . 1 . . . . . 61 GLN HE21 . 52205 1 544 . 1 . 1 61 61 GLN HE22 H 1 6.563 0.020 . 1 . . . . . 61 GLN HE22 . 52205 1 545 . 1 . 1 61 61 GLN C C 13 174.508 0.3 . 1 . . . . . 61 GLN C . 52205 1 546 . 1 . 1 61 61 GLN CA C 13 54.413 0.3 . 1 . . . . . 61 GLN CA . 52205 1 547 . 1 . 1 61 61 GLN CB C 13 33.680 0.3 . 1 . . . . . 61 GLN CB . 52205 1 548 . 1 . 1 61 61 GLN CG C 13 33.482 0.3 . 1 . . . . . 61 GLN CG . 52205 1 549 . 1 . 1 61 61 GLN N N 15 128.175 0.3 . 1 . . . . . 61 GLN N . 52205 1 550 . 1 . 1 61 61 GLN NE2 N 15 110.365 0.3 . 1 . . . . . 61 GLN NE2 . 52205 1 551 . 1 . 1 62 62 ALA H H 1 8.601 0.020 . 1 . . . . . 62 ALA H . 52205 1 552 . 1 . 1 62 62 ALA HA H 1 4.270 0.020 . 1 . . . . . 62 ALA HA . 52205 1 553 . 1 . 1 62 62 ALA HB1 H 1 1.395 0.020 . 1 . . . . . 62 ALA HB# . 52205 1 554 . 1 . 1 62 62 ALA HB2 H 1 1.395 0.020 . 1 . . . . . 62 ALA HB# . 52205 1 555 . 1 . 1 62 62 ALA HB3 H 1 1.395 0.020 . 1 . . . . . 62 ALA HB# . 52205 1 556 . 1 . 1 62 62 ALA C C 13 179.309 0.3 . 1 . . . . . 62 ALA C . 52205 1 557 . 1 . 1 62 62 ALA CA C 13 51.129 0.3 . 1 . . . . . 62 ALA CA . 52205 1 558 . 1 . 1 62 62 ALA CB C 13 20.147 0.3 . 1 . . . . . 62 ALA CB . 52205 1 559 . 1 . 1 62 62 ALA N N 15 122.413 0.3 . 1 . . . . . 62 ALA N . 52205 1 560 . 1 . 1 63 63 ALA H H 1 8.709 0.020 . 1 . . . . . 63 ALA H . 52205 1 561 . 1 . 1 63 63 ALA HA H 1 3.847 0.020 . 1 . . . . . 63 ALA HA . 52205 1 562 . 1 . 1 63 63 ALA HB1 H 1 1.202 0.020 . 1 . . . . . 63 ALA HB# . 52205 1 563 . 1 . 1 63 63 ALA HB2 H 1 1.202 0.020 . 1 . . . . . 63 ALA HB# . 52205 1 564 . 1 . 1 63 63 ALA HB3 H 1 1.202 0.020 . 1 . . . . . 63 ALA HB# . 52205 1 565 . 1 . 1 63 63 ALA C C 13 177.911 0.3 . 1 . . . . . 63 ALA C . 52205 1 566 . 1 . 1 63 63 ALA CA C 13 55.107 0.3 . 1 . . . . . 63 ALA CA . 52205 1 567 . 1 . 1 63 63 ALA CB C 13 18.142 0.3 . 1 . . . . . 63 ALA CB . 52205 1 568 . 1 . 1 63 63 ALA N N 15 124.319 0.3 . 1 . . . . . 63 ALA N . 52205 1 569 . 1 . 1 64 64 ASP H H 1 7.614 0.020 . 1 . . . . . 64 ASP H . 52205 1 570 . 1 . 1 64 64 ASP HA H 1 4.379 0.020 . 1 . . . . . 64 ASP HA . 52205 1 571 . 1 . 1 64 64 ASP HB2 H 1 2.979 0.020 . 2 . . . . . 64 ASP HB2 . 52205 1 572 . 1 . 1 64 64 ASP HB3 H 1 2.457 0.020 . 2 . . . . . 64 ASP HB3 . 52205 1 573 . 1 . 1 64 64 ASP C C 13 177.135 0.3 . 1 . . . . . 64 ASP C . 52205 1 574 . 1 . 1 64 64 ASP CA C 13 53.027 0.3 . 1 . . . . . 64 ASP CA . 52205 1 575 . 1 . 1 64 64 ASP CB C 13 39.888 0.3 . 1 . . . . . 64 ASP CB . 52205 1 576 . 1 . 1 64 64 ASP N N 15 113.297 0.3 . 1 . . . . . 64 ASP N . 52205 1 577 . 1 . 1 65 65 GLY H H 1 7.932 0.020 . 1 . . . . . 65 GLY H . 52205 1 578 . 1 . 1 65 65 GLY HA2 H 1 4.181 0.020 . 2 . . . . . 65 GLY HA2 . 52205 1 579 . 1 . 1 65 65 GLY HA3 H 1 3.500 0.020 . 2 . . . . . 65 GLY HA3 . 52205 1 580 . 1 . 1 65 65 GLY C C 13 174.573 0.3 . 1 . . . . . 65 GLY C . 52205 1 581 . 1 . 1 65 65 GLY CA C 13 44.721 0.3 . 1 . . . . . 65 GLY CA . 52205 1 582 . 1 . 1 65 65 GLY N N 15 108.006 0.3 . 1 . . . . . 65 GLY N . 52205 1 583 . 1 . 1 66 66 THR H H 1 7.868 0.020 . 1 . . . . . 66 THR H . 52205 1 584 . 1 . 1 66 66 THR HA H 1 3.895 0.020 . 1 . . . . . 66 THR HA . 52205 1 585 . 1 . 1 66 66 THR HB H 1 3.928 0.020 . 1 . . . . . 66 THR HB . 52205 1 586 . 1 . 1 66 66 THR HG21 H 1 1.108 0.020 . 1 . . . . . 66 THR QG2 . 52205 1 587 . 1 . 1 66 66 THR HG22 H 1 1.108 0.020 . 1 . . . . . 66 THR QG2 . 52205 1 588 . 1 . 1 66 66 THR HG23 H 1 1.108 0.020 . 1 . . . . . 66 THR QG2 . 52205 1 589 . 1 . 1 66 66 THR C C 13 174.561 0.3 . 1 . . . . . 66 THR C . 52205 1 590 . 1 . 1 66 66 THR CA C 13 63.722 0.3 . 1 . . . . . 66 THR CA . 52205 1 591 . 1 . 1 66 66 THR CB C 13 69.128 0.3 . 1 . . . . . 66 THR CB . 52205 1 592 . 1 . 1 66 66 THR CG2 C 13 21.502 0.3 . 1 . . . . . 66 THR CG2 . 52205 1 593 . 1 . 1 66 66 THR N N 15 116.439 0.3 . 1 . . . . . 66 THR N . 52205 1 594 . 1 . 1 67 67 LYS H H 1 8.657 0.020 . 1 . . . . . 67 LYS H . 52205 1 595 . 1 . 1 67 67 LYS HA H 1 3.951 0.020 . 1 . . . . . 67 LYS HA . 52205 1 596 . 1 . 1 67 67 LYS HB2 H 1 1.703 0.020 . 1 . . . . . 67 LYS HB2 . 52205 1 597 . 1 . 1 67 67 LYS HB3 H 1 1.703 0.020 . 1 . . . . . 67 LYS HB3 . 52205 1 598 . 1 . 1 67 67 LYS HG2 H 1 1.465 0.020 . 2 . . . . . 67 LYS HG2 . 52205 1 599 . 1 . 1 67 67 LYS HG3 H 1 1.330 0.020 . 2 . . . . . 67 LYS HG3 . 52205 1 600 . 1 . 1 67 67 LYS HD2 H 1 1.611 0.020 . 1 . . . . . 67 LYS HD2 . 52205 1 601 . 1 . 1 67 67 LYS HD3 H 1 1.611 0.020 . 1 . . . . . 67 LYS HD3 . 52205 1 602 . 1 . 1 67 67 LYS HE2 H 1 2.905 0.020 . 1 . . . . . 67 LYS HE2 . 52205 1 603 . 1 . 1 67 67 LYS HE3 H 1 2.905 0.020 . 1 . . . . . 67 LYS HE3 . 52205 1 604 . 1 . 1 67 67 LYS C C 13 176.342 0.3 . 1 . . . . . 67 LYS C . 52205 1 605 . 1 . 1 67 67 LYS CA C 13 57.940 0.3 . 1 . . . . . 67 LYS CA . 52205 1 606 . 1 . 1 67 67 LYS CB C 13 32.363 0.3 . 1 . . . . . 67 LYS CB . 52205 1 607 . 1 . 1 67 67 LYS CG C 13 24.817 0.3 . 1 . . . . . 67 LYS CG . 52205 1 608 . 1 . 1 67 67 LYS CD C 13 28.876 0.3 . 1 . . . . . 67 LYS CD . 52205 1 609 . 1 . 1 67 67 LYS CE C 13 41.778 0.3 . 1 . . . . . 67 LYS CE . 52205 1 610 . 1 . 1 67 67 LYS N N 15 125.932 0.3 . 1 . . . . . 67 LYS N . 52205 1 611 . 1 . 1 68 68 GLN H H 1 8.031 0.020 . 1 . . . . . 68 GLN H . 52205 1 612 . 1 . 1 68 68 GLN HA H 1 4.247 0.020 . 1 . . . . . 68 GLN HA . 52205 1 613 . 1 . 1 68 68 GLN HB2 H 1 1.079 0.020 . 2 . . . . . 68 GLN HB2 . 52205 1 614 . 1 . 1 68 68 GLN HB3 H 1 0.865 0.020 . 2 . . . . . 68 GLN HB3 . 52205 1 615 . 1 . 1 68 68 GLN HG2 H 1 1.703 0.020 . 1 . . . . . 68 GLN HG2 . 52205 1 616 . 1 . 1 68 68 GLN HG3 H 1 1.703 0.020 . 1 . . . . . 68 GLN HG3 . 52205 1 617 . 1 . 1 68 68 GLN HE21 H 1 6.469 0.020 . 1 . . . . . 68 GLN HE21 . 52205 1 618 . 1 . 1 68 68 GLN HE22 H 1 6.066 0.020 . 1 . . . . . 68 GLN HE22 . 52205 1 619 . 1 . 1 68 68 GLN C C 13 174.349 0.3 . 1 . . . . . 68 GLN C . 52205 1 620 . 1 . 1 68 68 GLN CA C 13 54.850 0.3 . 1 . . . . . 68 GLN CA . 52205 1 621 . 1 . 1 68 68 GLN CB C 13 27.869 0.3 . 1 . . . . . 68 GLN CB . 52205 1 622 . 1 . 1 68 68 GLN CG C 13 34.103 0.3 . 1 . . . . . 68 GLN CG . 52205 1 623 . 1 . 1 68 68 GLN N N 15 126.100 0.3 . 1 . . . . . 68 GLN N . 52205 1 624 . 1 . 1 68 68 GLN NE2 N 15 108.113 0.3 . 1 . . . . . 68 GLN NE2 . 52205 1 625 . 1 . 1 69 69 ASP H H 1 7.955 0.020 . 1 . . . . . 69 ASP H . 52205 1 626 . 1 . 1 69 69 ASP HA H 1 4.463 0.020 . 1 . . . . . 69 ASP HA . 52205 1 627 . 1 . 1 69 69 ASP HB2 H 1 2.756 0.020 . 2 . . . . . 69 ASP HB2 . 52205 1 628 . 1 . 1 69 69 ASP HB3 H 1 2.462 0.020 . 2 . . . . . 69 ASP HB3 . 52205 1 629 . 1 . 1 69 69 ASP C C 13 176.021 0.3 . 1 . . . . . 69 ASP C . 52205 1 630 . 1 . 1 69 69 ASP CA C 13 54.122 0.3 . 1 . . . . . 69 ASP CA . 52205 1 631 . 1 . 1 69 69 ASP CB C 13 41.476 0.3 . 1 . . . . . 69 ASP CB . 52205 1 632 . 1 . 1 69 69 ASP N N 15 119.055 0.3 . 1 . . . . . 69 ASP N . 52205 1 633 . 1 . 1 70 70 ASP H H 1 7.946 0.020 . 1 . . . . . 70 ASP H . 52205 1 634 . 1 . 1 70 70 ASP HA H 1 4.734 0.020 . 1 . . . . . 70 ASP HA . 52205 1 635 . 1 . 1 70 70 ASP HB2 H 1 3.103 0.020 . 2 . . . . . 70 ASP HB2 . 52205 1 636 . 1 . 1 70 70 ASP HB3 H 1 2.507 0.020 . 2 . . . . . 70 ASP HB3 . 52205 1 637 . 1 . 1 70 70 ASP C C 13 177.316 0.3 . 1 . . . . . 70 ASP C . 52205 1 638 . 1 . 1 70 70 ASP CA C 13 52.864 0.3 . 1 . . . . . 70 ASP CA . 52205 1 639 . 1 . 1 70 70 ASP CB C 13 39.961 0.3 . 1 . . . . . 70 ASP CB . 52205 1 640 . 1 . 1 70 70 ASP N N 15 119.210 0.3 . 1 . . . . . 70 ASP N . 52205 1 641 . 1 . 1 71 71 VAL H H 1 8.245 0.020 . 1 . . . . . 71 VAL H . 52205 1 642 . 1 . 1 71 71 VAL HA H 1 3.834 0.020 . 1 . . . . . 71 VAL HA . 52205 1 643 . 1 . 1 71 71 VAL HB H 1 2.108 0.020 . 1 . . . . . 71 VAL HB . 52205 1 644 . 1 . 1 71 71 VAL HG11 H 1 0.880 0.020 . 1 . . . . . 71 VAL QG1 . 52205 1 645 . 1 . 1 71 71 VAL HG12 H 1 0.880 0.020 . 1 . . . . . 71 VAL QG1 . 52205 1 646 . 1 . 1 71 71 VAL HG13 H 1 0.880 0.020 . 1 . . . . . 71 VAL QG1 . 52205 1 647 . 1 . 1 71 71 VAL HG21 H 1 0.920 0.020 . 1 . . . . . 71 VAL QG2 . 52205 1 648 . 1 . 1 71 71 VAL HG22 H 1 0.920 0.020 . 1 . . . . . 71 VAL QG2 . 52205 1 649 . 1 . 1 71 71 VAL HG23 H 1 0.920 0.020 . 1 . . . . . 71 VAL QG2 . 52205 1 650 . 1 . 1 71 71 VAL C C 13 177.629 0.3 . 1 . . . . . 71 VAL C . 52205 1 651 . 1 . 1 71 71 VAL CA C 13 64.241 0.3 . 1 . . . . . 71 VAL CA . 52205 1 652 . 1 . 1 71 71 VAL CB C 13 31.442 0.3 . 1 . . . . . 71 VAL CB . 52205 1 653 . 1 . 1 71 71 VAL CG1 C 13 21.086 0.3 . 1 . . . . . 71 VAL CG1 . 52205 1 654 . 1 . 1 71 71 VAL CG2 C 13 19.984 0.3 . 1 . . . . . 71 VAL CG2 . 52205 1 655 . 1 . 1 71 71 VAL N N 15 122.171 0.3 . 1 . . . . . 71 VAL N . 52205 1 656 . 1 . 1 72 72 SER H H 1 8.304 0.020 . 1 . . . . . 72 SER H . 52205 1 657 . 1 . 1 72 72 SER HA H 1 4.257 0.020 . 1 . . . . . 72 SER HA . 52205 1 658 . 1 . 1 72 72 SER HB2 H 1 3.927 0.020 . 2 . . . . . 72 SER HB2 . 52205 1 659 . 1 . 1 72 72 SER HB3 H 1 3.879 0.020 . 2 . . . . . 72 SER HB3 . 52205 1 660 . 1 . 1 72 72 SER C C 13 175.143 0.3 . 1 . . . . . 72 SER C . 52205 1 661 . 1 . 1 72 72 SER CA C 13 60.907 0.3 . 1 . . . . . 72 SER CA . 52205 1 662 . 1 . 1 72 72 SER CB C 13 62.947 0.3 . 1 . . . . . 72 SER CB . 52205 1 663 . 1 . 1 72 72 SER N N 15 117.312 0.3 . 1 . . . . . 72 SER N . 52205 1 664 . 1 . 1 73 73 LYS H H 1 7.350 0.020 . 1 . . . . . 73 LYS H . 52205 1 665 . 1 . 1 73 73 LYS HA H 1 4.033 0.020 . 1 . . . . . 73 LYS HA . 52205 1 666 . 1 . 1 73 73 LYS HB2 H 1 1.207 0.020 . 2 . . . . . 73 LYS HB2 . 52205 1 667 . 1 . 1 73 73 LYS HB3 H 1 1.125 0.020 . 2 . . . . . 73 LYS HB3 . 52205 1 668 . 1 . 1 73 73 LYS HG2 H 1 1.412 0.020 . 1 . . . . . 73 LYS HG2 . 52205 1 669 . 1 . 1 73 73 LYS HG3 H 1 1.412 0.020 . 1 . . . . . 73 LYS HG3 . 52205 1 670 . 1 . 1 73 73 LYS HD2 H 1 1.154 0.020 . 2 . . . . . 73 LYS HD2 . 52205 1 671 . 1 . 1 73 73 LYS HD3 H 1 0.960 0.020 . 2 . . . . . 73 LYS HD3 . 52205 1 672 . 1 . 1 73 73 LYS HE2 H 1 2.817 0.020 . 1 . . . . . 73 LYS HE2 . 52205 1 673 . 1 . 1 73 73 LYS HE3 H 1 2.817 0.020 . 1 . . . . . 73 LYS HE3 . 52205 1 674 . 1 . 1 73 73 LYS C C 13 176.606 0.3 . 1 . . . . . 73 LYS C . 52205 1 675 . 1 . 1 73 73 LYS CA C 13 55.774 0.3 . 1 . . . . . 73 LYS CA . 52205 1 676 . 1 . 1 73 73 LYS CB C 13 32.164 0.3 . 1 . . . . . 73 LYS CB . 52205 1 677 . 1 . 1 73 73 LYS CG C 13 28.406 0.3 . 1 . . . . . 73 LYS CG . 52205 1 678 . 1 . 1 73 73 LYS CD C 13 25.822 0.3 . 1 . . . . . 73 LYS CD . 52205 1 679 . 1 . 1 73 73 LYS CE C 13 42.086 0.3 . 1 . . . . . 73 LYS CE . 52205 1 680 . 1 . 1 73 73 LYS N N 15 119.828 0.3 . 1 . . . . . 73 LYS N . 52205 1 681 . 1 . 1 74 74 LEU H H 1 7.177 0.020 . 1 . . . . . 74 LEU H . 52205 1 682 . 1 . 1 74 74 LEU HA H 1 5.063 0.020 . 1 . . . . . 74 LEU HA . 52205 1 683 . 1 . 1 74 74 LEU HB2 H 1 1.973 0.020 . 2 . . . . . 74 LEU HB2 . 52205 1 684 . 1 . 1 74 74 LEU HB3 H 1 1.464 0.020 . 2 . . . . . 74 LEU HB3 . 52205 1 685 . 1 . 1 74 74 LEU HG H 1 1.725 0.020 . 1 . . . . . 74 LEU HG . 52205 1 686 . 1 . 1 74 74 LEU HD11 H 1 1.000 0.020 . 2 . . . . . 74 LEU QD1 . 52205 1 687 . 1 . 1 74 74 LEU HD12 H 1 1.000 0.020 . 2 . . . . . 74 LEU QD1 . 52205 1 688 . 1 . 1 74 74 LEU HD13 H 1 1.000 0.020 . 2 . . . . . 74 LEU QD1 . 52205 1 689 . 1 . 1 74 74 LEU HD21 H 1 0.956 0.020 . 2 . . . . . 74 LEU QD2 . 52205 1 690 . 1 . 1 74 74 LEU HD22 H 1 0.956 0.020 . 2 . . . . . 74 LEU QD2 . 52205 1 691 . 1 . 1 74 74 LEU HD23 H 1 0.956 0.020 . 2 . . . . . 74 LEU QD2 . 52205 1 692 . 1 . 1 74 74 LEU C C 13 176.571 0.3 . 1 . . . . . 74 LEU C . 52205 1 693 . 1 . 1 74 74 LEU CA C 13 54.415 0.3 . 1 . . . . . 74 LEU CA . 52205 1 694 . 1 . 1 74 74 LEU CB C 13 45.298 0.3 . 1 . . . . . 74 LEU CB . 52205 1 695 . 1 . 1 74 74 LEU CG C 13 27.197 0.3 . 1 . . . . . 74 LEU CG . 52205 1 696 . 1 . 1 74 74 LEU CD1 C 13 24.485 0.3 . 1 . . . . . 74 LEU CD1 . 52205 1 697 . 1 . 1 74 74 LEU CD2 C 13 25.312 0.3 . 1 . . . . . 74 LEU CD2 . 52205 1 698 . 1 . 1 74 74 LEU N N 15 122.387 0.3 . 1 . . . . . 74 LEU N . 52205 1 699 . 1 . 1 75 75 GLY H H 1 8.521 0.020 . 1 . . . . . 75 GLY H . 52205 1 700 . 1 . 1 75 75 GLY HA2 H 1 4.268 0.020 . 2 . . . . . 75 GLY HA2 . 52205 1 701 . 1 . 1 75 75 GLY HA3 H 1 3.450 0.020 . 2 . . . . . 75 GLY HA3 . 52205 1 702 . 1 . 1 75 75 GLY C C 13 170.205 0.3 . 1 . . . . . 75 GLY C . 52205 1 703 . 1 . 1 75 75 GLY CA C 13 44.627 0.3 . 1 . . . . . 75 GLY CA . 52205 1 704 . 1 . 1 75 75 GLY N N 15 111.005 0.3 . 1 . . . . . 75 GLY N . 52205 1 705 . 1 . 1 76 76 VAL H H 1 7.715 0.020 . 1 . . . . . 76 VAL H . 52205 1 706 . 1 . 1 76 76 VAL HA H 1 4.432 0.020 . 1 . . . . . 76 VAL HA . 52205 1 707 . 1 . 1 76 76 VAL HB H 1 1.627 0.020 . 1 . . . . . 76 VAL HB . 52205 1 708 . 1 . 1 76 76 VAL HG11 H 1 -0.065 0.020 . 1 . . . . . 76 VAL QG1 . 52205 1 709 . 1 . 1 76 76 VAL HG12 H 1 -0.065 0.020 . 1 . . . . . 76 VAL QG1 . 52205 1 710 . 1 . 1 76 76 VAL HG13 H 1 -0.065 0.020 . 1 . . . . . 76 VAL QG1 . 52205 1 711 . 1 . 1 76 76 VAL HG21 H 1 -0.310 0.020 . 1 . . . . . 76 VAL QG2 . 52205 1 712 . 1 . 1 76 76 VAL HG22 H 1 -0.310 0.020 . 1 . . . . . 76 VAL QG2 . 52205 1 713 . 1 . 1 76 76 VAL HG23 H 1 -0.310 0.020 . 1 . . . . . 76 VAL QG2 . 52205 1 714 . 1 . 1 76 76 VAL C C 13 175.125 0.3 . 1 . . . . . 76 VAL C . 52205 1 715 . 1 . 1 76 76 VAL CA C 13 60.634 0.3 . 1 . . . . . 76 VAL CA . 52205 1 716 . 1 . 1 76 76 VAL CB C 13 34.012 0.3 . 1 . . . . . 76 VAL CB . 52205 1 717 . 1 . 1 76 76 VAL CG1 C 13 20.628 0.3 . 1 . . . . . 76 VAL CG1 . 52205 1 718 . 1 . 1 76 76 VAL CG2 C 13 19.859 0.3 . 1 . . . . . 76 VAL CG2 . 52205 1 719 . 1 . 1 76 76 VAL N N 15 118.765 0.3 . 1 . . . . . 76 VAL N . 52205 1 720 . 1 . 1 77 77 ASN H H 1 8.569 0.020 . 1 . . . . . 77 ASN H . 52205 1 721 . 1 . 1 77 77 ASN HA H 1 4.781 0.020 . 1 . . . . . 77 ASN HA . 52205 1 722 . 1 . 1 77 77 ASN HB2 H 1 2.427 0.020 . 2 . . . . . 77 ASN HB2 . 52205 1 723 . 1 . 1 77 77 ASN HB3 H 1 2.342 0.020 . 2 . . . . . 77 ASN HB3 . 52205 1 724 . 1 . 1 77 77 ASN HD21 H 1 7.679 0.020 . 1 . . . . . 77 ASN HD21 . 52205 1 725 . 1 . 1 77 77 ASN HD22 H 1 6.452 0.020 . 1 . . . . . 77 ASN HD22 . 52205 1 726 . 1 . 1 77 77 ASN C C 13 174.490 0.3 . 1 . . . . . 77 ASN C . 52205 1 727 . 1 . 1 77 77 ASN CA C 13 51.140 0.3 . 1 . . . . . 77 ASN CA . 52205 1 728 . 1 . 1 77 77 ASN CB C 13 41.859 0.3 . 1 . . . . . 77 ASN CB . 52205 1 729 . 1 . 1 77 77 ASN N N 15 123.213 0.3 . 1 . . . . . 77 ASN N . 52205 1 730 . 1 . 1 77 77 ASN ND2 N 15 112.312 0.3 . 1 . . . . . 77 ASN ND2 . 52205 1 731 . 1 . 1 78 78 TRP H H 1 9.579 0.020 . 1 . . . . . 78 TRP H . 52205 1 732 . 1 . 1 78 78 TRP HA H 1 4.826 0.020 . 1 . . . . . 78 TRP HA . 52205 1 733 . 1 . 1 78 78 TRP HB2 H 1 2.950 0.020 . 2 . . . . . 78 TRP HB2 . 52205 1 734 . 1 . 1 78 78 TRP HB3 H 1 2.880 0.020 . 2 . . . . . 78 TRP HB3 . 52205 1 735 . 1 . 1 78 78 TRP HD1 H 1 7.272 0.020 . 1 . . . . . 78 TRP HD1 . 52205 1 736 . 1 . 1 78 78 TRP HE1 H 1 6.357 0.020 . 1 . . . . . 78 TRP HE1 . 52205 1 737 . 1 . 1 78 78 TRP HE3 H 1 7.614 0.020 . 1 . . . . . 78 TRP HE3 . 52205 1 738 . 1 . 1 78 78 TRP HZ2 H 1 6.442 0.020 . 1 . . . . . 78 TRP HZ2 . 52205 1 739 . 1 . 1 78 78 TRP HZ3 H 1 6.809 0.020 . 1 . . . . . 78 TRP HZ3 . 52205 1 740 . 1 . 1 78 78 TRP HH2 H 1 6.918 0.020 . 1 . . . . . 78 TRP HH2 . 52205 1 741 . 1 . 1 78 78 TRP C C 13 178.264 0.3 . 1 . . . . . 78 TRP C . 52205 1 742 . 1 . 1 78 78 TRP CA C 13 57.917 0.3 . 1 . . . . . 78 TRP CA . 52205 1 743 . 1 . 1 78 78 TRP CB C 13 27.959 0.3 . 1 . . . . . 78 TRP CB . 52205 1 744 . 1 . 1 78 78 TRP CD1 C 13 127.373 0.3 . 1 . . . . . 78 TRP CD1 . 52205 1 745 . 1 . 1 78 78 TRP CE3 C 13 122.160 0.3 . 1 . . . . . 78 TRP CE3 . 52205 1 746 . 1 . 1 78 78 TRP CZ2 C 13 113.529 0.3 . 1 . . . . . 78 TRP CZ2 . 52205 1 747 . 1 . 1 78 78 TRP CZ3 C 13 128.705 0.3 . 1 . . . . . 78 TRP CZ3 . 52205 1 748 . 1 . 1 78 78 TRP CH2 C 13 122.490 0.3 . 1 . . . . . 78 TRP CH2 . 52205 1 749 . 1 . 1 78 78 TRP N N 15 126.566 0.3 . 1 . . . . . 78 TRP N . 52205 1 750 . 1 . 1 78 78 TRP NE1 N 15 124.345 0.3 . 1 . . . . . 78 TRP NE1 . 52205 1 751 . 1 . 1 79 79 THR H H 1 9.135 0.020 . 1 . . . . . 79 THR H . 52205 1 752 . 1 . 1 79 79 THR HA H 1 4.833 0.020 . 1 . . . . . 79 THR HA . 52205 1 753 . 1 . 1 79 79 THR HB H 1 4.135 0.020 . 1 . . . . . 79 THR HB . 52205 1 754 . 1 . 1 79 79 THR HG21 H 1 0.947 0.020 . 1 . . . . . 79 THR QG2 . 52205 1 755 . 1 . 1 79 79 THR HG22 H 1 0.947 0.020 . 1 . . . . . 79 THR QG2 . 52205 1 756 . 1 . 1 79 79 THR HG23 H 1 0.947 0.020 . 1 . . . . . 79 THR QG2 . 52205 1 757 . 1 . 1 79 79 THR C C 13 174.545 0.3 . 1 . . . . . 79 THR C . 52205 1 758 . 1 . 1 79 79 THR CA C 13 62.616 0.3 . 1 . . . . . 79 THR CA . 52205 1 759 . 1 . 1 79 79 THR CB C 13 70.199 0.3 . 1 . . . . . 79 THR CB . 52205 1 760 . 1 . 1 79 79 THR CG2 C 13 22.716 0.3 . 1 . . . . . 79 THR CG2 . 52205 1 761 . 1 . 1 79 79 THR N N 15 118.189 0.3 . 1 . . . . . 79 THR N . 52205 1 762 . 1 . 1 80 80 GLY H H 1 7.508 0.020 . 1 . . . . . 80 GLY H . 52205 1 763 . 1 . 1 80 80 GLY HA2 H 1 4.076 0.020 . 2 . . . . . 80 GLY HA2 . 52205 1 764 . 1 . 1 80 80 GLY HA3 H 1 3.813 0.020 . 2 . . . . . 80 GLY HA3 . 52205 1 765 . 1 . 1 80 80 GLY C C 13 171.172 0.3 . 1 . . . . . 80 GLY C . 52205 1 766 . 1 . 1 80 80 GLY CA C 13 45.326 0.3 . 1 . . . . . 80 GLY CA . 52205 1 767 . 1 . 1 80 80 GLY N N 15 108.201 0.3 . 1 . . . . . 80 GLY N . 52205 1 768 . 1 . 1 81 81 GLY H H 1 8.535 0.020 . 1 . . . . . 81 GLY H . 52205 1 769 . 1 . 1 81 81 GLY HA2 H 1 4.236 0.020 . 2 . . . . . 81 GLY HA2 . 52205 1 770 . 1 . 1 81 81 GLY HA3 H 1 3.738 0.020 . 2 . . . . . 81 GLY HA3 . 52205 1 771 . 1 . 1 81 81 GLY C C 13 171.122 0.3 . 1 . . . . . 81 GLY C . 52205 1 772 . 1 . 1 81 81 GLY CA C 13 45.998 0.3 . 1 . . . . . 81 GLY CA . 52205 1 773 . 1 . 1 81 81 GLY N N 15 105.907 0.3 . 1 . . . . . 81 GLY N . 52205 1 774 . 1 . 1 82 82 ASN H H 1 6.648 0.020 . 1 . . . . . 82 ASN H . 52205 1 775 . 1 . 1 82 82 ASN HA H 1 4.786 0.020 . 1 . . . . . 82 ASN HA . 52205 1 776 . 1 . 1 82 82 ASN HB2 H 1 2.688 0.020 . 2 . . . . . 82 ASN HB2 . 52205 1 777 . 1 . 1 82 82 ASN HB3 H 1 1.609 0.020 . 2 . . . . . 82 ASN HB3 . 52205 1 778 . 1 . 1 82 82 ASN HD21 H 1 7.348 0.020 . 1 . . . . . 82 ASN HD21 . 52205 1 779 . 1 . 1 82 82 ASN HD22 H 1 6.682 0.020 . 1 . . . . . 82 ASN HD22 . 52205 1 780 . 1 . 1 82 82 ASN C C 13 173.238 0.3 . 1 . . . . . 82 ASN C . 52205 1 781 . 1 . 1 82 82 ASN CA C 13 51.536 0.3 . 1 . . . . . 82 ASN CA . 52205 1 782 . 1 . 1 82 82 ASN CB C 13 36.995 0.3 . 1 . . . . . 82 ASN CB . 52205 1 783 . 1 . 1 82 82 ASN N N 15 118.673 0.3 . 1 . . . . . 82 ASN N . 52205 1 784 . 1 . 1 82 82 ASN ND2 N 15 116.875 0.3 . 1 . . . . . 82 ASN ND2 . 52205 1 785 . 1 . 1 83 83 LEU H H 1 7.572 0.020 . 1 . . . . . 83 LEU H . 52205 1 786 . 1 . 1 83 83 LEU HA H 1 4.277 0.020 . 1 . . . . . 83 LEU HA . 52205 1 787 . 1 . 1 83 83 LEU HB2 H 1 1.546 0.020 . 1 . . . . . 83 LEU HB2 . 52205 1 788 . 1 . 1 83 83 LEU HB3 H 1 1.546 0.020 . 1 . . . . . 83 LEU HB3 . 52205 1 789 . 1 . 1 83 83 LEU HG H 1 1.390 0.020 . 1 . . . . . 83 LEU HG . 52205 1 790 . 1 . 1 83 83 LEU HD11 H 1 0.785 0.020 . 2 . . . . . 83 LEU QD1 . 52205 1 791 . 1 . 1 83 83 LEU HD12 H 1 0.785 0.020 . 2 . . . . . 83 LEU QD1 . 52205 1 792 . 1 . 1 83 83 LEU HD13 H 1 0.785 0.020 . 2 . . . . . 83 LEU QD1 . 52205 1 793 . 1 . 1 83 83 LEU HD21 H 1 0.647 0.020 . 2 . . . . . 83 LEU QD2 . 52205 1 794 . 1 . 1 83 83 LEU HD22 H 1 0.647 0.020 . 2 . . . . . 83 LEU QD2 . 52205 1 795 . 1 . 1 83 83 LEU HD23 H 1 0.647 0.020 . 2 . . . . . 83 LEU QD2 . 52205 1 796 . 1 . 1 83 83 LEU C C 13 177.701 0.3 . 1 . . . . . 83 LEU C . 52205 1 797 . 1 . 1 83 83 LEU CA C 13 55.799 0.3 . 1 . . . . . 83 LEU CA . 52205 1 798 . 1 . 1 83 83 LEU CB C 13 41.609 0.3 . 1 . . . . . 83 LEU CB . 52205 1 799 . 1 . 1 83 83 LEU CG C 13 28.124 0.3 . 1 . . . . . 83 LEU CG . 52205 1 800 . 1 . 1 83 83 LEU CD1 C 13 24.773 0.3 . 1 . . . . . 83 LEU CD1 . 52205 1 801 . 1 . 1 83 83 LEU CD2 C 13 23.479 0.3 . 1 . . . . . 83 LEU CD2 . 52205 1 802 . 1 . 1 83 83 LEU N N 15 123.741 0.3 . 1 . . . . . 83 LEU N . 52205 1 803 . 1 . 1 84 84 LEU H H 1 8.219 0.020 . 1 . . . . . 84 LEU H . 52205 1 804 . 1 . 1 84 84 LEU HA H 1 3.995 0.020 . 1 . . . . . 84 LEU HA . 52205 1 805 . 1 . 1 84 84 LEU HB2 H 1 1.698 0.020 . 2 . . . . . 84 LEU HB2 . 52205 1 806 . 1 . 1 84 84 LEU HB3 H 1 0.988 0.020 . 2 . . . . . 84 LEU HB3 . 52205 1 807 . 1 . 1 84 84 LEU HG H 1 1.349 0.020 . 1 . . . . . 84 LEU HG . 52205 1 808 . 1 . 1 84 84 LEU HD11 H 1 0.884 0.020 . 2 . . . . . 84 LEU QD1 . 52205 1 809 . 1 . 1 84 84 LEU HD12 H 1 0.884 0.020 . 2 . . . . . 84 LEU QD1 . 52205 1 810 . 1 . 1 84 84 LEU HD13 H 1 0.884 0.020 . 2 . . . . . 84 LEU QD1 . 52205 1 811 . 1 . 1 84 84 LEU HD21 H 1 0.654 0.020 . 2 . . . . . 84 LEU QD2 . 52205 1 812 . 1 . 1 84 84 LEU HD22 H 1 0.654 0.020 . 2 . . . . . 84 LEU QD2 . 52205 1 813 . 1 . 1 84 84 LEU HD23 H 1 0.654 0.020 . 2 . . . . . 84 LEU QD2 . 52205 1 814 . 1 . 1 84 84 LEU C C 13 175.654 0.3 . 1 . . . . . 84 LEU C . 52205 1 815 . 1 . 1 84 84 LEU CA C 13 55.594 0.3 . 1 . . . . . 84 LEU CA . 52205 1 816 . 1 . 1 84 84 LEU CB C 13 43.542 0.3 . 1 . . . . . 84 LEU CB . 52205 1 817 . 1 . 1 84 84 LEU CG C 13 26.109 0.3 . 1 . . . . . 84 LEU CG . 52205 1 818 . 1 . 1 84 84 LEU CD1 C 13 23.807 0.3 . 1 . . . . . 84 LEU CD1 . 52205 1 819 . 1 . 1 84 84 LEU CD2 C 13 26.005 0.3 . 1 . . . . . 84 LEU CD2 . 52205 1 820 . 1 . 1 84 84 LEU N N 15 122.678 0.3 . 1 . . . . . 84 LEU N . 52205 1 821 . 1 . 1 85 85 ALA H H 1 8.614 0.020 . 1 . . . . . 85 ALA H . 52205 1 822 . 1 . 1 85 85 ALA HA H 1 4.252 0.020 . 1 . . . . . 85 ALA HA . 52205 1 823 . 1 . 1 85 85 ALA HB1 H 1 1.309 0.020 . 1 . . . . . 85 ALA HB# . 52205 1 824 . 1 . 1 85 85 ALA HB2 H 1 1.309 0.020 . 1 . . . . . 85 ALA HB# . 52205 1 825 . 1 . 1 85 85 ALA HB3 H 1 1.309 0.020 . 1 . . . . . 85 ALA HB# . 52205 1 826 . 1 . 1 85 85 ALA CA C 13 52.345 0.3 . 1 . . . . . 85 ALA CA . 52205 1 827 . 1 . 1 85 85 ALA CB C 13 18.632 0.3 . 1 . . . . . 85 ALA CB . 52205 1 828 . 1 . 1 85 85 ALA N N 15 133.442 0.3 . 1 . . . . . 85 ALA N . 52205 1 829 . 1 . 1 86 86 GLY H H 1 8.680 0.020 . 1 . . . . . 86 GLY H . 52205 1 830 . 1 . 1 86 86 GLY HA2 H 1 3.686 0.020 . 1 . . . . . 86 GLY HA2 . 52205 1 831 . 1 . 1 86 86 GLY HA3 H 1 3.686 0.020 . 1 . . . . . 86 GLY HA3 . 52205 1 832 . 1 . 1 86 86 GLY C C 13 174.490 0.3 . 1 . . . . . 86 GLY C . 52205 1 833 . 1 . 1 86 86 GLY CA C 13 46.153 0.3 . 1 . . . . . 86 GLY CA . 52205 1 834 . 1 . 1 86 86 GLY N N 15 110.319 0.3 . 1 . . . . . 86 GLY N . 52205 1 835 . 1 . 1 87 87 ALA H H 1 7.165 0.020 . 1 . . . . . 87 ALA H . 52205 1 836 . 1 . 1 87 87 ALA HA H 1 4.021 0.020 . 1 . . . . . 87 ALA HA . 52205 1 837 . 1 . 1 87 87 ALA HB1 H 1 1.132 0.020 . 1 . . . . . 87 ALA HB# . 52205 1 838 . 1 . 1 87 87 ALA HB2 H 1 1.132 0.020 . 1 . . . . . 87 ALA HB# . 52205 1 839 . 1 . 1 87 87 ALA HB3 H 1 1.132 0.020 . 1 . . . . . 87 ALA HB# . 52205 1 840 . 1 . 1 87 87 ALA C C 13 178.652 0.3 . 1 . . . . . 87 ALA C . 52205 1 841 . 1 . 1 87 87 ALA CA C 13 52.231 0.3 . 1 . . . . . 87 ALA CA . 52205 1 842 . 1 . 1 87 87 ALA CB C 13 19.596 0.3 . 1 . . . . . 87 ALA CB . 52205 1 843 . 1 . 1 87 87 ALA N N 15 121.414 0.3 . 1 . . . . . 87 ALA N . 52205 1 844 . 1 . 1 88 88 THR H H 1 8.409 0.020 . 1 . . . . . 88 THR H . 52205 1 845 . 1 . 1 88 88 THR HA H 1 4.008 0.020 . 1 . . . . . 88 THR HA . 52205 1 846 . 1 . 1 88 88 THR HB H 1 3.959 0.020 . 1 . . . . . 88 THR HB . 52205 1 847 . 1 . 1 88 88 THR HG21 H 1 1.120 0.020 . 1 . . . . . 88 THR QG2 . 52205 1 848 . 1 . 1 88 88 THR HG22 H 1 1.120 0.020 . 1 . . . . . 88 THR QG2 . 52205 1 849 . 1 . 1 88 88 THR HG23 H 1 1.120 0.020 . 1 . . . . . 88 THR QG2 . 52205 1 850 . 1 . 1 88 88 THR CA C 13 60.840 0.3 . 1 . . . . . 88 THR CA . 52205 1 851 . 1 . 1 88 88 THR CB C 13 70.788 0.3 . 1 . . . . . 88 THR CB . 52205 1 852 . 1 . 1 88 88 THR N N 15 113.334 0.3 . 1 . . . . . 88 THR N . 52205 1 853 . 1 . 1 89 89 SER HA H 1 3.805 0.020 . 1 . . . . . 89 SER HA . 52205 1 854 . 1 . 1 89 89 SER CA C 13 62.304 0.3 . 1 . . . . . 89 SER CA . 52205 1 855 . 1 . 1 90 90 LYS H H 1 7.742 0.020 . 1 . . . . . 90 LYS H . 52205 1 856 . 1 . 1 90 90 LYS HA H 1 3.848 0.020 . 1 . . . . . 90 LYS HA . 52205 1 857 . 1 . 1 90 90 LYS HB2 H 1 1.494 0.020 . 1 . . . . . 90 LYS HB2 . 52205 1 858 . 1 . 1 90 90 LYS HB3 H 1 1.494 0.020 . 1 . . . . . 90 LYS HB3 . 52205 1 859 . 1 . 1 90 90 LYS HG2 H 1 1.287 0.020 . 1 . . . . . 90 LYS HG2 . 52205 1 860 . 1 . 1 90 90 LYS HG3 H 1 1.287 0.020 . 1 . . . . . 90 LYS HG3 . 52205 1 861 . 1 . 1 90 90 LYS HD2 H 1 1.558 0.020 . 1 . . . . . 90 LYS HD2 . 52205 1 862 . 1 . 1 90 90 LYS HD3 H 1 1.558 0.020 . 1 . . . . . 90 LYS HD3 . 52205 1 863 . 1 . 1 90 90 LYS C C 13 175.813 0.3 . 1 . . . . . 90 LYS C . 52205 1 864 . 1 . 1 90 90 LYS CA C 13 57.682 0.3 . 1 . . . . . 90 LYS CA . 52205 1 865 . 1 . 1 90 90 LYS CB C 13 32.392 0.3 . 1 . . . . . 90 LYS CB . 52205 1 866 . 1 . 1 90 90 LYS CG C 13 24.584 0.3 . 1 . . . . . 90 LYS CG . 52205 1 867 . 1 . 1 90 90 LYS CD C 13 28.634 0.3 . 1 . . . . . 90 LYS CD . 52205 1 868 . 1 . 1 90 90 LYS N N 15 120.638 0.3 . 1 . . . . . 90 LYS N . 52205 1 869 . 1 . 1 91 91 GLN H H 1 6.526 0.020 . 1 . . . . . 91 GLN H . 52205 1 870 . 1 . 1 91 91 GLN HA H 1 2.143 0.020 . 1 . . . . . 91 GLN HA . 52205 1 871 . 1 . 1 91 91 GLN HB2 H 1 1.609 0.020 . 2 . . . . . 91 GLN HB2 . 52205 1 872 . 1 . 1 91 91 GLN HB3 H 1 1.461 0.020 . 2 . . . . . 91 GLN HB3 . 52205 1 873 . 1 . 1 91 91 GLN HG2 H 1 1.829 0.020 . 1 . . . . . 91 GLN HG2 . 52205 1 874 . 1 . 1 91 91 GLN HG3 H 1 1.829 0.020 . 1 . . . . . 91 GLN HG3 . 52205 1 875 . 1 . 1 91 91 GLN HE21 H 1 7.421 0.020 . 1 . . . . . 91 GLN HE21 . 52205 1 876 . 1 . 1 91 91 GLN HE22 H 1 6.561 0.020 . 1 . . . . . 91 GLN HE22 . 52205 1 877 . 1 . 1 91 91 GLN C C 13 175.587 0.3 . 1 . . . . . 91 GLN C . 52205 1 878 . 1 . 1 91 91 GLN CA C 13 53.434 0.3 . 1 . . . . . 91 GLN CA . 52205 1 879 . 1 . 1 91 91 GLN CB C 13 30.296 0.3 . 1 . . . . . 91 GLN CB . 52205 1 880 . 1 . 1 91 91 GLN CG C 13 33.746 0.3 . 1 . . . . . 91 GLN CG . 52205 1 881 . 1 . 1 91 91 GLN N N 15 111.633 0.3 . 1 . . . . . 91 GLN N . 52205 1 882 . 1 . 1 91 91 GLN NE2 N 15 111.372 0.3 . 1 . . . . . 91 GLN NE2 . 52205 1 883 . 1 . 1 92 92 GLN H H 1 6.761 0.020 . 1 . . . . . 92 GLN H . 52205 1 884 . 1 . 1 92 92 GLN HA H 1 3.785 0.020 . 1 . . . . . 92 GLN HA . 52205 1 885 . 1 . 1 92 92 GLN HB2 H 1 1.831 0.020 . 2 . . . . . 92 GLN HB2 . 52205 1 886 . 1 . 1 92 92 GLN HB3 H 1 1.714 0.020 . 2 . . . . . 92 GLN HB3 . 52205 1 887 . 1 . 1 92 92 GLN HG2 H 1 2.390 0.020 . 2 . . . . . 92 GLN HG2 . 52205 1 888 . 1 . 1 92 92 GLN HG3 H 1 2.334 0.020 . 2 . . . . . 92 GLN HG3 . 52205 1 889 . 1 . 1 92 92 GLN HE21 H 1 6.740 0.020 . 1 . . . . . 92 GLN HE21 . 52205 1 890 . 1 . 1 92 92 GLN HE22 H 1 7.020 0.020 . 1 . . . . . 92 GLN HE22 . 52205 1 891 . 1 . 1 92 92 GLN C C 13 177.598 0.3 . 1 . . . . . 92 GLN C . 52205 1 892 . 1 . 1 92 92 GLN CA C 13 57.440 0.3 . 1 . . . . . 92 GLN CA . 52205 1 893 . 1 . 1 92 92 GLN CB C 13 28.837 0.3 . 1 . . . . . 92 GLN CB . 52205 1 894 . 1 . 1 92 92 GLN CG C 13 34.146 0.3 . 1 . . . . . 92 GLN CG . 52205 1 895 . 1 . 1 92 92 GLN N N 15 118.251 0.3 . 1 . . . . . 92 GLN N . 52205 1 896 . 1 . 1 92 92 GLN NE2 N 15 112.827 0.3 . 1 . . . . . 92 GLN NE2 . 52205 1 897 . 1 . 1 93 93 GLY H H 1 9.250 0.020 . 1 . . . . . 93 GLY H . 52205 1 898 . 1 . 1 93 93 GLY HA2 H 1 4.202 0.020 . 2 . . . . . 93 GLY HA2 . 52205 1 899 . 1 . 1 93 93 GLY HA3 H 1 3.270 0.020 . 2 . . . . . 93 GLY HA3 . 52205 1 900 . 1 . 1 93 93 GLY C C 13 171.651 0.3 . 1 . . . . . 93 GLY C . 52205 1 901 . 1 . 1 93 93 GLY CA C 13 46.023 0.3 . 1 . . . . . 93 GLY CA . 52205 1 902 . 1 . 1 93 93 GLY N N 15 110.735 0.3 . 1 . . . . . 93 GLY N . 52205 1 903 . 1 . 1 94 94 TYR H H 1 8.166 0.020 . 1 . . . . . 94 TYR H . 52205 1 904 . 1 . 1 94 94 TYR HA H 1 4.408 0.020 . 1 . . . . . 94 TYR HA . 52205 1 905 . 1 . 1 94 94 TYR HB2 H 1 3.224 0.020 . 2 . . . . . 94 TYR HB2 . 52205 1 906 . 1 . 1 94 94 TYR HB3 H 1 2.445 0.020 . 2 . . . . . 94 TYR HB3 . 52205 1 907 . 1 . 1 94 94 TYR HD1 H 1 6.765 0.020 . 1 . . . . . 94 TYR HD1 . 52205 1 908 . 1 . 1 94 94 TYR HD2 H 1 6.765 0.020 . 1 . . . . . 94 TYR HD2 . 52205 1 909 . 1 . 1 94 94 TYR HE1 H 1 6.373 0.020 . 1 . . . . . 94 TYR HE1 . 52205 1 910 . 1 . 1 94 94 TYR HE2 H 1 6.373 0.020 . 1 . . . . . 94 TYR HE2 . 52205 1 911 . 1 . 1 94 94 TYR C C 13 175.248 0.3 . 1 . . . . . 94 TYR C . 52205 1 912 . 1 . 1 94 94 TYR CA C 13 56.703 0.3 . 1 . . . . . 94 TYR CA . 52205 1 913 . 1 . 1 94 94 TYR CB C 13 35.673 0.3 . 1 . . . . . 94 TYR CB . 52205 1 914 . 1 . 1 94 94 TYR CD1 C 13 130.623 0.3 . 1 . . . . . 94 TYR CD1 . 52205 1 915 . 1 . 1 94 94 TYR CD2 C 13 130.623 0.3 . 1 . . . . . 94 TYR CD2 . 52205 1 916 . 1 . 1 94 94 TYR CE1 C 13 117.570 0.3 . 1 . . . . . 94 TYR CE1 . 52205 1 917 . 1 . 1 94 94 TYR CE2 C 13 117.570 0.3 . 1 . . . . . 94 TYR CE2 . 52205 1 918 . 1 . 1 94 94 TYR N N 15 120.389 0.3 . 1 . . . . . 94 TYR N . 52205 1 919 . 1 . 1 95 95 LEU H H 1 9.734 0.020 . 1 . . . . . 95 LEU H . 52205 1 920 . 1 . 1 95 95 LEU HA H 1 4.413 0.020 . 1 . . . . . 95 LEU HA . 52205 1 921 . 1 . 1 95 95 LEU HB2 H 1 1.670 0.020 . 2 . . . . . 95 LEU HB2 . 52205 1 922 . 1 . 1 95 95 LEU HB3 H 1 1.530 0.020 . 2 . . . . . 95 LEU HB3 . 52205 1 923 . 1 . 1 95 95 LEU HG H 1 0.392 0.020 . 1 . . . . . 95 LEU HG . 52205 1 924 . 1 . 1 95 95 LEU HD11 H 1 0.539 0.020 . 1 . . . . . 95 LEU QD1 . 52205 1 925 . 1 . 1 95 95 LEU HD12 H 1 0.539 0.020 . 1 . . . . . 95 LEU QD1 . 52205 1 926 . 1 . 1 95 95 LEU HD13 H 1 0.539 0.020 . 1 . . . . . 95 LEU QD1 . 52205 1 927 . 1 . 1 95 95 LEU HD21 H 1 0.539 0.020 . 1 . . . . . 95 LEU QD2 . 52205 1 928 . 1 . 1 95 95 LEU HD22 H 1 0.539 0.020 . 1 . . . . . 95 LEU QD2 . 52205 1 929 . 1 . 1 95 95 LEU HD23 H 1 0.539 0.020 . 1 . . . . . 95 LEU QD2 . 52205 1 930 . 1 . 1 95 95 LEU C C 13 176.045 0.3 . 1 . . . . . 95 LEU C . 52205 1 931 . 1 . 1 95 95 LEU CA C 13 53.781 0.3 . 1 . . . . . 95 LEU CA . 52205 1 932 . 1 . 1 95 95 LEU CB C 13 39.731 0.3 . 1 . . . . . 95 LEU CB . 52205 1 933 . 1 . 1 95 95 LEU CG C 13 25.281 0.3 . 1 . . . . . 95 LEU CG . 52205 1 934 . 1 . 1 95 95 LEU CD1 C 13 22.772 0.3 . 1 . . . . . 95 LEU CD1 . 52205 1 935 . 1 . 1 95 95 LEU N N 15 124.098 0.3 . 1 . . . . . 95 LEU N . 52205 1 936 . 1 . 1 96 96 ALA H H 1 8.519 0.020 . 1 . . . . . 96 ALA H . 52205 1 937 . 1 . 1 96 96 ALA HA H 1 4.343 0.020 . 1 . . . . . 96 ALA HA . 52205 1 938 . 1 . 1 96 96 ALA HB1 H 1 1.201 0.020 . 1 . . . . . 96 ALA HB# . 52205 1 939 . 1 . 1 96 96 ALA HB2 H 1 1.201 0.020 . 1 . . . . . 96 ALA HB# . 52205 1 940 . 1 . 1 96 96 ALA HB3 H 1 1.201 0.020 . 1 . . . . . 96 ALA HB# . 52205 1 941 . 1 . 1 96 96 ALA C C 13 178.563 0.3 . 1 . . . . . 96 ALA C . 52205 1 942 . 1 . 1 96 96 ALA CA C 13 50.819 0.3 . 1 . . . . . 96 ALA CA . 52205 1 943 . 1 . 1 96 96 ALA CB C 13 20.371 0.3 . 1 . . . . . 96 ALA CB . 52205 1 944 . 1 . 1 96 96 ALA N N 15 123.286 0.3 . 1 . . . . . 96 ALA N . 52205 1 945 . 1 . 1 97 97 ASN H H 1 8.992 0.020 . 1 . . . . . 97 ASN H . 52205 1 946 . 1 . 1 97 97 ASN HA H 1 5.235 0.020 . 1 . . . . . 97 ASN HA . 52205 1 947 . 1 . 1 97 97 ASN HB2 H 1 3.213 0.020 . 2 . . . . . 97 ASN HB2 . 52205 1 948 . 1 . 1 97 97 ASN HB3 H 1 2.976 0.020 . 2 . . . . . 97 ASN HB3 . 52205 1 949 . 1 . 1 97 97 ASN HD21 H 1 7.888 0.020 . 1 . . . . . 97 ASN HD21 . 52205 1 950 . 1 . 1 97 97 ASN HD22 H 1 7.730 0.020 . 1 . . . . . 97 ASN HD22 . 52205 1 951 . 1 . 1 97 97 ASN C C 13 178.193 0.3 . 1 . . . . . 97 ASN C . 52205 1 952 . 1 . 1 97 97 ASN CA C 13 52.027 0.3 . 1 . . . . . 97 ASN CA . 52205 1 953 . 1 . 1 97 97 ASN CB C 13 39.159 0.3 . 1 . . . . . 97 ASN CB . 52205 1 954 . 1 . 1 97 97 ASN N N 15 122.357 0.3 . 1 . . . . . 97 ASN N . 52205 1 955 . 1 . 1 97 97 ASN ND2 N 15 114.306 0.3 . 1 . . . . . 97 ASN ND2 . 52205 1 956 . 1 . 1 98 98 THR H H 1 9.646 0.020 . 1 . . . . . 98 THR H . 52205 1 957 . 1 . 1 98 98 THR HA H 1 4.179 0.020 . 1 . . . . . 98 THR HA . 52205 1 958 . 1 . 1 98 98 THR HB H 1 4.457 0.020 . 1 . . . . . 98 THR HB . 52205 1 959 . 1 . 1 98 98 THR HG21 H 1 1.424 0.020 . 1 . . . . . 98 THR QG2 . 52205 1 960 . 1 . 1 98 98 THR HG22 H 1 1.424 0.020 . 1 . . . . . 98 THR QG2 . 52205 1 961 . 1 . 1 98 98 THR HG23 H 1 1.424 0.020 . 1 . . . . . 98 THR QG2 . 52205 1 962 . 1 . 1 98 98 THR C C 13 175.301 0.3 . 1 . . . . . 98 THR C . 52205 1 963 . 1 . 1 98 98 THR CA C 13 62.710 0.3 . 1 . . . . . 98 THR CA . 52205 1 964 . 1 . 1 98 98 THR CB C 13 69.032 0.3 . 1 . . . . . 98 THR CB . 52205 1 965 . 1 . 1 98 98 THR CG2 C 13 22.992 0.3 . 1 . . . . . 98 THR CG2 . 52205 1 966 . 1 . 1 98 98 THR N N 15 119.164 0.3 . 1 . . . . . 98 THR N . 52205 1 967 . 1 . 1 99 99 GLU H H 1 7.787 0.020 . 1 . . . . . 99 GLU H . 52205 1 968 . 1 . 1 99 99 GLU HA H 1 4.475 0.020 . 1 . . . . . 99 GLU HA . 52205 1 969 . 1 . 1 99 99 GLU HB2 H 1 1.817 0.020 . 2 . . . . . 99 GLU HB2 . 52205 1 970 . 1 . 1 99 99 GLU HB3 H 1 1.791 0.020 . 2 . . . . . 99 GLU HB3 . 52205 1 971 . 1 . 1 99 99 GLU HG2 H 1 2.180 0.020 . 2 . . . . . 99 GLU HG2 . 52205 1 972 . 1 . 1 99 99 GLU HG3 H 1 2.049 0.020 . 2 . . . . . 99 GLU HG3 . 52205 1 973 . 1 . 1 99 99 GLU CA C 13 54.161 0.3 . 1 . . . . . 99 GLU CA . 52205 1 974 . 1 . 1 99 99 GLU CB C 13 28.714 0.3 . 1 . . . . . 99 GLU CB . 52205 1 975 . 1 . 1 99 99 GLU CG C 13 35.339 0.3 . 1 . . . . . 99 GLU CG . 52205 1 976 . 1 . 1 99 99 GLU N N 15 123.535 0.3 . 1 . . . . . 99 GLU N . 52205 1 977 . 1 . 1 100 100 ALA H H 1 8.901 0.020 . 1 . . . . . 100 ALA H . 52205 1 978 . 1 . 1 100 100 ALA HA H 1 4.024 0.020 . 1 . . . . . 100 ALA HA . 52205 1 979 . 1 . 1 100 100 ALA HB1 H 1 1.408 0.020 . 1 . . . . . 100 ALA HB# . 52205 1 980 . 1 . 1 100 100 ALA HB2 H 1 1.408 0.020 . 1 . . . . . 100 ALA HB# . 52205 1 981 . 1 . 1 100 100 ALA HB3 H 1 1.408 0.020 . 1 . . . . . 100 ALA HB# . 52205 1 982 . 1 . 1 100 100 ALA C C 13 178.773 0.3 . 1 . . . . . 100 ALA C . 52205 1 983 . 1 . 1 100 100 ALA CA C 13 54.973 0.3 . 1 . . . . . 100 ALA CA . 52205 1 984 . 1 . 1 100 100 ALA CB C 13 18.456 0.3 . 1 . . . . . 100 ALA CB . 52205 1 985 . 1 . 1 100 100 ALA N N 15 132.620 0.3 . 1 . . . . . 100 ALA N . 52205 1 986 . 1 . 1 101 101 SER H H 1 8.420 0.020 . 1 . . . . . 101 SER H . 52205 1 987 . 1 . 1 101 101 SER HA H 1 4.527 0.020 . 1 . . . . . 101 SER HA . 52205 1 988 . 1 . 1 101 101 SER HB2 H 1 4.068 0.020 . 2 . . . . . 101 SER HB2 . 52205 1 989 . 1 . 1 101 101 SER HB3 H 1 3.840 0.020 . 2 . . . . . 101 SER HB3 . 52205 1 990 . 1 . 1 101 101 SER C C 13 174.869 0.3 . 1 . . . . . 101 SER C . 52205 1 991 . 1 . 1 101 101 SER CA C 13 57.851 0.3 . 1 . . . . . 101 SER CA . 52205 1 992 . 1 . 1 101 101 SER CB C 13 63.441 0.3 . 1 . . . . . 101 SER CB . 52205 1 993 . 1 . 1 101 101 SER N N 15 110.405 0.3 . 1 . . . . . 101 SER N . 52205 1 994 . 1 . 1 102 102 GLY H H 1 7.517 0.020 . 1 . . . . . 102 GLY H . 52205 1 995 . 1 . 1 102 102 GLY HA2 H 1 4.568 0.020 . 2 . . . . . 102 GLY HA2 . 52205 1 996 . 1 . 1 102 102 GLY HA3 H 1 3.759 0.020 . 2 . . . . . 102 GLY HA3 . 52205 1 997 . 1 . 1 102 102 GLY C C 13 172.850 0.3 . 1 . . . . . 102 GLY C . 52205 1 998 . 1 . 1 102 102 GLY CA C 13 44.034 0.3 . 1 . . . . . 102 GLY CA . 52205 1 999 . 1 . 1 102 102 GLY N N 15 108.562 0.3 . 1 . . . . . 102 GLY N . 52205 1 1000 . 1 . 1 103 103 ALA H H 1 7.843 0.020 . 1 . . . . . 103 ALA H . 52205 1 1001 . 1 . 1 103 103 ALA HA H 1 3.617 0.020 . 1 . . . . . 103 ALA HA . 52205 1 1002 . 1 . 1 103 103 ALA HB1 H 1 1.008 0.020 . 1 . . . . . 103 ALA HB# . 52205 1 1003 . 1 . 1 103 103 ALA HB2 H 1 1.008 0.020 . 1 . . . . . 103 ALA HB# . 52205 1 1004 . 1 . 1 103 103 ALA HB3 H 1 1.008 0.020 . 1 . . . . . 103 ALA HB# . 52205 1 1005 . 1 . 1 103 103 ALA C C 13 179.057 0.3 . 1 . . . . . 103 ALA C . 52205 1 1006 . 1 . 1 103 103 ALA CA C 13 53.322 0.3 . 1 . . . . . 103 ALA CA . 52205 1 1007 . 1 . 1 103 103 ALA CB C 13 20.158 0.3 . 1 . . . . . 103 ALA CB . 52205 1 1008 . 1 . 1 103 103 ALA N N 15 123.304 0.3 . 1 . . . . . 103 ALA N . 52205 1 1009 . 1 . 1 104 104 GLN H H 1 8.337 0.020 . 1 . . . . . 104 GLN H . 52205 1 1010 . 1 . 1 104 104 GLN HA H 1 4.387 0.020 . 1 . . . . . 104 GLN HA . 52205 1 1011 . 1 . 1 104 104 GLN HB2 H 1 2.028 0.020 . 1 . . . . . 104 GLN HB2 . 52205 1 1012 . 1 . 1 104 104 GLN HB3 H 1 2.028 0.020 . 1 . . . . . 104 GLN HB3 . 52205 1 1013 . 1 . 1 104 104 GLN HG2 H 1 2.370 0.020 . 1 . . . . . 104 GLN HG2 . 52205 1 1014 . 1 . 1 104 104 GLN HG3 H 1 2.370 0.020 . 1 . . . . . 104 GLN HG3 . 52205 1 1015 . 1 . 1 104 104 GLN HE21 H 1 7.367 0.020 . 1 . . . . . 104 GLN HE21 . 52205 1 1016 . 1 . 1 104 104 GLN HE22 H 1 6.785 0.020 . 1 . . . . . 104 GLN HE22 . 52205 1 1017 . 1 . 1 104 104 GLN C C 13 175.640 0.3 . 1 . . . . . 104 GLN C . 52205 1 1018 . 1 . 1 104 104 GLN CA C 13 54.561 0.3 . 1 . . . . . 104 GLN CA . 52205 1 1019 . 1 . 1 104 104 GLN CB C 13 30.743 0.3 . 1 . . . . . 104 GLN CB . 52205 1 1020 . 1 . 1 104 104 GLN CG C 13 33.944 0.3 . 1 . . . . . 104 GLN CG . 52205 1 1021 . 1 . 1 104 104 GLN N N 15 121.782 0.3 . 1 . . . . . 104 GLN N . 52205 1 1022 . 1 . 1 104 104 GLN NE2 N 15 114.377 0.3 . 1 . . . . . 104 GLN NE2 . 52205 1 1023 . 1 . 1 105 105 ASN H H 1 8.985 0.020 . 1 . . . . . 105 ASN H . 52205 1 1024 . 1 . 1 105 105 ASN HA H 1 4.246 0.020 . 1 . . . . . 105 ASN HA . 52205 1 1025 . 1 . 1 105 105 ASN HB2 H 1 2.782 0.020 . 2 . . . . . 105 ASN HB2 . 52205 1 1026 . 1 . 1 105 105 ASN HB3 H 1 2.722 0.020 . 2 . . . . . 105 ASN HB3 . 52205 1 1027 . 1 . 1 105 105 ASN HD21 H 1 7.107 0.020 . 1 . . . . . 105 ASN HD21 . 52205 1 1028 . 1 . 1 105 105 ASN HD22 H 1 7.060 0.020 . 1 . . . . . 105 ASN HD22 . 52205 1 1029 . 1 . 1 105 105 ASN C C 13 171.704 0.3 . 1 . . . . . 105 ASN C . 52205 1 1030 . 1 . 1 105 105 ASN CA C 13 54.956 0.3 . 1 . . . . . 105 ASN CA . 52205 1 1031 . 1 . 1 105 105 ASN CB C 13 37.392 0.3 . 1 . . . . . 105 ASN CB . 52205 1 1032 . 1 . 1 105 105 ASN N N 15 110.745 0.3 . 1 . . . . . 105 ASN N . 52205 1 1033 . 1 . 1 105 105 ASN ND2 N 15 115.890 0.3 . 1 . . . . . 105 ASN ND2 . 52205 1 1034 . 1 . 1 106 106 ILE H H 1 7.938 0.020 . 1 . . . . . 106 ILE H . 52205 1 1035 . 1 . 1 106 106 ILE HA H 1 4.491 0.020 . 1 . . . . . 106 ILE HA . 52205 1 1036 . 1 . 1 106 106 ILE HB H 1 1.568 0.020 . 1 . . . . . 106 ILE HB . 52205 1 1037 . 1 . 1 106 106 ILE HG12 H 1 1.489 0.020 . 2 . . . . . 106 ILE HG12 . 52205 1 1038 . 1 . 1 106 106 ILE HG13 H 1 1.011 0.020 . 2 . . . . . 106 ILE HG13 . 52205 1 1039 . 1 . 1 106 106 ILE HG21 H 1 0.567 0.020 . 1 . . . . . 106 ILE QG2 . 52205 1 1040 . 1 . 1 106 106 ILE HG22 H 1 0.567 0.020 . 1 . . . . . 106 ILE QG2 . 52205 1 1041 . 1 . 1 106 106 ILE HG23 H 1 0.567 0.020 . 1 . . . . . 106 ILE QG2 . 52205 1 1042 . 1 . 1 106 106 ILE HD11 H 1 0.646 0.020 . 1 . . . . . 106 ILE QD1 . 52205 1 1043 . 1 . 1 106 106 ILE HD12 H 1 0.646 0.020 . 1 . . . . . 106 ILE QD1 . 52205 1 1044 . 1 . 1 106 106 ILE HD13 H 1 0.646 0.020 . 1 . . . . . 106 ILE QD1 . 52205 1 1045 . 1 . 1 106 106 ILE C C 13 170.805 0.3 . 1 . . . . . 106 ILE C . 52205 1 1046 . 1 . 1 106 106 ILE CA C 13 59.900 0.3 . 1 . . . . . 106 ILE CA . 52205 1 1047 . 1 . 1 106 106 ILE CB C 13 41.747 0.3 . 1 . . . . . 106 ILE CB . 52205 1 1048 . 1 . 1 106 106 ILE CG1 C 13 28.725 0.3 . 1 . . . . . 106 ILE CG1 . 52205 1 1049 . 1 . 1 106 106 ILE CG2 C 13 15.081 0.3 . 1 . . . . . 106 ILE CG2 . 52205 1 1050 . 1 . 1 106 106 ILE CD1 C 13 15.638 0.3 . 1 . . . . . 106 ILE CD1 . 52205 1 1051 . 1 . 1 106 106 ILE N N 15 117.114 0.3 . 1 . . . . . 106 ILE N . 52205 1 1052 . 1 . 1 107 107 GLN H H 1 8.520 0.020 . 1 . . . . . 107 GLN H . 52205 1 1053 . 1 . 1 107 107 GLN HA H 1 4.677 0.020 . 1 . . . . . 107 GLN HA . 52205 1 1054 . 1 . 1 107 107 GLN HB2 H 1 1.977 0.020 . 2 . . . . . 107 GLN HB2 . 52205 1 1055 . 1 . 1 107 107 GLN HB3 H 1 1.797 0.020 . 2 . . . . . 107 GLN HB3 . 52205 1 1056 . 1 . 1 107 107 GLN HG2 H 1 2.356 0.020 . 2 . . . . . 107 GLN HG2 . 52205 1 1057 . 1 . 1 107 107 GLN HG3 H 1 2.159 0.020 . 2 . . . . . 107 GLN HG3 . 52205 1 1058 . 1 . 1 107 107 GLN HE21 H 1 6.983 0.020 . 1 . . . . . 107 GLN HE21 . 52205 1 1059 . 1 . 1 107 107 GLN HE22 H 1 6.300 0.020 . 1 . . . . . 107 GLN HE22 . 52205 1 1060 . 1 . 1 107 107 GLN C C 13 173.538 0.3 . 1 . . . . . 107 GLN C . 52205 1 1061 . 1 . 1 107 107 GLN CA C 13 56.165 0.3 . 1 . . . . . 107 GLN CA . 52205 1 1062 . 1 . 1 107 107 GLN CB C 13 31.530 0.3 . 1 . . . . . 107 GLN CB . 52205 1 1063 . 1 . 1 107 107 GLN CG C 13 37.023 0.3 . 1 . . . . . 107 GLN CG . 52205 1 1064 . 1 . 1 107 107 GLN N N 15 127.531 0.3 . 1 . . . . . 107 GLN N . 52205 1 1065 . 1 . 1 107 107 GLN NE2 N 15 107.437 0.3 . 1 . . . . . 107 GLN NE2 . 52205 1 1066 . 1 . 1 108 108 LEU H H 1 7.987 0.020 . 1 . . . . . 108 LEU H . 52205 1 1067 . 1 . 1 108 108 LEU HA H 1 5.245 0.020 . 1 . . . . . 108 LEU HA . 52205 1 1068 . 1 . 1 108 108 LEU HB2 H 1 1.211 0.020 . 2 . . . . . 108 LEU HB2 . 52205 1 1069 . 1 . 1 108 108 LEU HB3 H 1 0.601 0.020 . 2 . . . . . 108 LEU HB3 . 52205 1 1070 . 1 . 1 108 108 LEU HG H 1 1.099 0.020 . 1 . . . . . 108 LEU HG . 52205 1 1071 . 1 . 1 108 108 LEU HD11 H 1 0.243 0.020 . 2 . . . . . 108 LEU QD1 . 52205 1 1072 . 1 . 1 108 108 LEU HD12 H 1 0.243 0.020 . 2 . . . . . 108 LEU QD1 . 52205 1 1073 . 1 . 1 108 108 LEU HD13 H 1 0.243 0.020 . 2 . . . . . 108 LEU QD1 . 52205 1 1074 . 1 . 1 108 108 LEU HD21 H 1 0.070 0.020 . 2 . . . . . 108 LEU QD2 . 52205 1 1075 . 1 . 1 108 108 LEU HD22 H 1 0.070 0.020 . 2 . . . . . 108 LEU QD2 . 52205 1 1076 . 1 . 1 108 108 LEU HD23 H 1 0.070 0.020 . 2 . . . . . 108 LEU QD2 . 52205 1 1077 . 1 . 1 108 108 LEU C C 13 176.059 0.3 . 1 . . . . . 108 LEU C . 52205 1 1078 . 1 . 1 108 108 LEU CA C 13 52.188 0.3 . 1 . . . . . 108 LEU CA . 52205 1 1079 . 1 . 1 108 108 LEU CB C 13 43.898 0.3 . 1 . . . . . 108 LEU CB . 52205 1 1080 . 1 . 1 108 108 LEU CG C 13 26.889 0.3 . 1 . . . . . 108 LEU CG . 52205 1 1081 . 1 . 1 108 108 LEU CD1 C 13 26.966 0.3 . 1 . . . . . 108 LEU CD1 . 52205 1 1082 . 1 . 1 108 108 LEU CD2 C 13 24.267 0.3 . 1 . . . . . 108 LEU CD2 . 52205 1 1083 . 1 . 1 108 108 LEU N N 15 115.629 0.3 . 1 . . . . . 108 LEU N . 52205 1 1084 . 1 . 1 109 109 VAL H H 1 8.413 0.020 . 1 . . . . . 109 VAL H . 52205 1 1085 . 1 . 1 109 109 VAL HA H 1 4.216 0.020 . 1 . . . . . 109 VAL HA . 52205 1 1086 . 1 . 1 109 109 VAL HB H 1 1.518 0.020 . 1 . . . . . 109 VAL HB . 52205 1 1087 . 1 . 1 109 109 VAL HG11 H 1 0.629 0.020 . 1 . . . . . 109 VAL QG1 . 52205 1 1088 . 1 . 1 109 109 VAL HG12 H 1 0.629 0.020 . 1 . . . . . 109 VAL QG1 . 52205 1 1089 . 1 . 1 109 109 VAL HG13 H 1 0.629 0.020 . 1 . . . . . 109 VAL QG1 . 52205 1 1090 . 1 . 1 109 109 VAL HG21 H 1 0.384 0.020 . 1 . . . . . 109 VAL QG2 . 52205 1 1091 . 1 . 1 109 109 VAL HG22 H 1 0.384 0.020 . 1 . . . . . 109 VAL QG2 . 52205 1 1092 . 1 . 1 109 109 VAL HG23 H 1 0.384 0.020 . 1 . . . . . 109 VAL QG2 . 52205 1 1093 . 1 . 1 109 109 VAL CA C 13 60.946 0.3 . 1 . . . . . 109 VAL CA . 52205 1 1094 . 1 . 1 109 109 VAL CB C 13 35.256 0.3 . 1 . . . . . 109 VAL CB . 52205 1 1095 . 1 . 1 109 109 VAL CG1 C 13 22.835 0.3 . 1 . . . . . 109 VAL CG1 . 52205 1 1096 . 1 . 1 109 109 VAL CG2 C 13 23.005 0.3 . 1 . . . . . 109 VAL CG2 . 52205 1 1097 . 1 . 1 109 109 VAL N N 15 116.697 0.3 . 1 . . . . . 109 VAL N . 52205 1 1098 . 1 . 1 110 110 LEU H H 1 9.745 0.020 . 1 . . . . . 110 LEU H . 52205 1 1099 . 1 . 1 110 110 LEU HA H 1 5.208 0.020 . 1 . . . . . 110 LEU HA . 52205 1 1100 . 1 . 1 110 110 LEU HB2 H 1 1.374 0.020 . 2 . . . . . 110 LEU HB2 . 52205 1 1101 . 1 . 1 110 110 LEU HB3 H 1 0.626 0.020 . 2 . . . . . 110 LEU HB3 . 52205 1 1102 . 1 . 1 110 110 LEU HG H 1 0.970 0.020 . 1 . . . . . 110 LEU HG . 52205 1 1103 . 1 . 1 110 110 LEU HD11 H 1 0.109 0.020 . 2 . . . . . 110 LEU QD1 . 52205 1 1104 . 1 . 1 110 110 LEU HD12 H 1 0.109 0.020 . 2 . . . . . 110 LEU QD1 . 52205 1 1105 . 1 . 1 110 110 LEU HD13 H 1 0.109 0.020 . 2 . . . . . 110 LEU QD1 . 52205 1 1106 . 1 . 1 110 110 LEU HD21 H 1 -0.497 0.020 . 2 . . . . . 110 LEU QD2 . 52205 1 1107 . 1 . 1 110 110 LEU HD22 H 1 -0.497 0.020 . 2 . . . . . 110 LEU QD2 . 52205 1 1108 . 1 . 1 110 110 LEU HD23 H 1 -0.497 0.020 . 2 . . . . . 110 LEU QD2 . 52205 1 1109 . 1 . 1 110 110 LEU C C 13 176.412 0.3 . 1 . . . . . 110 LEU C . 52205 1 1110 . 1 . 1 110 110 LEU CA C 13 53.426 0.3 . 1 . . . . . 110 LEU CA . 52205 1 1111 . 1 . 1 110 110 LEU CB C 13 45.605 0.3 . 1 . . . . . 110 LEU CB . 52205 1 1112 . 1 . 1 110 110 LEU CG C 13 26.461 0.3 . 1 . . . . . 110 LEU CG . 52205 1 1113 . 1 . 1 110 110 LEU CD1 C 13 23.225 0.3 . 1 . . . . . 110 LEU CD1 . 52205 1 1114 . 1 . 1 110 110 LEU CD2 C 13 23.927 0.3 . 1 . . . . . 110 LEU CD2 . 52205 1 1115 . 1 . 1 110 110 LEU N N 15 131.883 0.3 . 1 . . . . . 110 LEU N . 52205 1 1116 . 1 . 1 111 111 SER H H 1 8.637 0.020 . 1 . . . . . 111 SER H . 52205 1 1117 . 1 . 1 111 111 SER HA H 1 4.927 0.020 . 1 . . . . . 111 SER HA . 52205 1 1118 . 1 . 1 111 111 SER HB2 H 1 3.942 0.020 . 2 . . . . . 111 SER HB2 . 52205 1 1119 . 1 . 1 111 111 SER HB3 H 1 3.166 0.020 . 2 . . . . . 111 SER HB3 . 52205 1 1120 . 1 . 1 111 111 SER C C 13 174.984 0.3 . 1 . . . . . 111 SER C . 52205 1 1121 . 1 . 1 111 111 SER CA C 13 55.867 0.3 . 1 . . . . . 111 SER CA . 52205 1 1122 . 1 . 1 111 111 SER CB C 13 64.867 0.3 . 1 . . . . . 111 SER CB . 52205 1 1123 . 1 . 1 111 111 SER N N 15 113.387 0.3 . 1 . . . . . 111 SER N . 52205 1 1124 . 1 . 1 112 112 THR H H 1 7.466 0.020 . 1 . . . . . 112 THR H . 52205 1 1125 . 1 . 1 112 112 THR HA H 1 4.477 0.020 . 1 . . . . . 112 THR HA . 52205 1 1126 . 1 . 1 112 112 THR HB H 1 4.431 0.020 . 1 . . . . . 112 THR HB . 52205 1 1127 . 1 . 1 112 112 THR HG21 H 1 1.110 0.020 . 1 . . . . . 112 THR QG2 . 52205 1 1128 . 1 . 1 112 112 THR HG22 H 1 1.110 0.020 . 1 . . . . . 112 THR QG2 . 52205 1 1129 . 1 . 1 112 112 THR HG23 H 1 1.110 0.020 . 1 . . . . . 112 THR QG2 . 52205 1 1130 . 1 . 1 112 112 THR C C 13 174.719 0.3 . 1 . . . . . 112 THR C . 52205 1 1131 . 1 . 1 112 112 THR CA C 13 63.094 0.3 . 1 . . . . . 112 THR CA . 52205 1 1132 . 1 . 1 112 112 THR CB C 13 68.500 0.3 . 1 . . . . . 112 THR CB . 52205 1 1133 . 1 . 1 112 112 THR CG2 C 13 23.637 0.3 . 1 . . . . . 112 THR CG2 . 52205 1 1134 . 1 . 1 112 112 THR N N 15 112.221 0.3 . 1 . . . . . 112 THR N . 52205 1 1135 . 1 . 1 113 113 ASP H H 1 8.319 0.020 . 1 . . . . . 113 ASP H . 52205 1 1136 . 1 . 1 113 113 ASP HA H 1 4.397 0.020 . 1 . . . . . 113 ASP HA . 52205 1 1137 . 1 . 1 113 113 ASP HB2 H 1 2.751 0.020 . 2 . . . . . 113 ASP HB2 . 52205 1 1138 . 1 . 1 113 113 ASP HB3 H 1 2.509 0.020 . 2 . . . . . 113 ASP HB3 . 52205 1 1139 . 1 . 1 113 113 ASP C C 13 174.102 0.3 . 1 . . . . . 113 ASP C . 52205 1 1140 . 1 . 1 113 113 ASP CA C 13 53.513 0.3 . 1 . . . . . 113 ASP CA . 52205 1 1141 . 1 . 1 113 113 ASP CB C 13 42.850 0.3 . 1 . . . . . 113 ASP CB . 52205 1 1142 . 1 . 1 113 113 ASP N N 15 120.811 0.3 . 1 . . . . . 113 ASP N . 52205 1 1143 . 1 . 1 114 114 ASN H H 1 7.148 0.020 . 1 . . . . . 114 ASN H . 52205 1 1144 . 1 . 1 114 114 ASN HA H 1 4.062 0.020 . 1 . . . . . 114 ASN HA . 52205 1 1145 . 1 . 1 114 114 ASN HB2 H 1 2.602 0.020 . 2 . . . . . 114 ASN HB2 . 52205 1 1146 . 1 . 1 114 114 ASN HB3 H 1 1.406 0.020 . 2 . . . . . 114 ASN HB3 . 52205 1 1147 . 1 . 1 114 114 ASN HD21 H 1 7.140 0.020 . 1 . . . . . 114 ASN HD21 . 52205 1 1148 . 1 . 1 114 114 ASN HD22 H 1 6.678 0.020 . 1 . . . . . 114 ASN HD22 . 52205 1 1149 . 1 . 1 114 114 ASN C C 13 175.301 0.3 . 1 . . . . . 114 ASN C . 52205 1 1150 . 1 . 1 114 114 ASN CA C 13 50.447 0.3 . 1 . . . . . 114 ASN CA . 52205 1 1151 . 1 . 1 114 114 ASN CB C 13 36.634 0.3 . 1 . . . . . 114 ASN CB . 52205 1 1152 . 1 . 1 114 114 ASN N N 15 112.499 0.3 . 1 . . . . . 114 ASN N . 52205 1 1153 . 1 . 1 114 114 ASN ND2 N 15 109.668 0.3 . 1 . . . . . 114 ASN ND2 . 52205 1 1154 . 1 . 1 115 115 ALA H H 1 7.686 0.020 . 1 . . . . . 115 ALA H . 52205 1 1155 . 1 . 1 115 115 ALA HA H 1 4.062 0.020 . 1 . . . . . 115 ALA HA . 52205 1 1156 . 1 . 1 115 115 ALA HB1 H 1 1.366 0.020 . 1 . . . . . 115 ALA HB# . 52205 1 1157 . 1 . 1 115 115 ALA HB2 H 1 1.366 0.020 . 1 . . . . . 115 ALA HB# . 52205 1 1158 . 1 . 1 115 115 ALA HB3 H 1 1.366 0.020 . 1 . . . . . 115 ALA HB# . 52205 1 1159 . 1 . 1 115 115 ALA C C 13 179.798 0.3 . 1 . . . . . 115 ALA C . 52205 1 1160 . 1 . 1 115 115 ALA CA C 13 53.255 0.3 . 1 . . . . . 115 ALA CA . 52205 1 1161 . 1 . 1 115 115 ALA CB C 13 18.339 0.3 . 1 . . . . . 115 ALA CB . 52205 1 1162 . 1 . 1 115 115 ALA N N 15 122.859 0.3 . 1 . . . . . 115 ALA N . 52205 1 1163 . 1 . 1 116 116 THR H H 1 8.352 0.020 . 1 . . . . . 116 THR H . 52205 1 1164 . 1 . 1 116 116 THR HA H 1 4.056 0.020 . 1 . . . . . 116 THR HA . 52205 1 1165 . 1 . 1 116 116 THR HB H 1 4.184 0.020 . 1 . . . . . 116 THR HB . 52205 1 1166 . 1 . 1 116 116 THR HG21 H 1 1.378 0.020 . 1 . . . . . 116 THR QG2 . 52205 1 1167 . 1 . 1 116 116 THR HG22 H 1 1.378 0.020 . 1 . . . . . 116 THR QG2 . 52205 1 1168 . 1 . 1 116 116 THR HG23 H 1 1.378 0.020 . 1 . . . . . 116 THR QG2 . 52205 1 1169 . 1 . 1 116 116 THR C C 13 175.883 0.3 . 1 . . . . . 116 THR C . 52205 1 1170 . 1 . 1 116 116 THR CA C 13 65.514 0.3 . 1 . . . . . 116 THR CA . 52205 1 1171 . 1 . 1 116 116 THR CB C 13 69.015 0.3 . 1 . . . . . 116 THR CB . 52205 1 1172 . 1 . 1 116 116 THR CG2 C 13 22.597 0.3 . 1 . . . . . 116 THR CG2 . 52205 1 1173 . 1 . 1 116 116 THR N N 15 116.607 0.3 . 1 . . . . . 116 THR N . 52205 1 1174 . 1 . 1 117 117 ALA H H 1 7.969 0.020 . 1 . . . . . 117 ALA H . 52205 1 1175 . 1 . 1 117 117 ALA HA H 1 4.177 0.020 . 1 . . . . . 117 ALA HA . 52205 1 1176 . 1 . 1 117 117 ALA HB1 H 1 1.296 0.020 . 1 . . . . . 117 ALA HB# . 52205 1 1177 . 1 . 1 117 117 ALA HB2 H 1 1.296 0.020 . 1 . . . . . 117 ALA HB# . 52205 1 1178 . 1 . 1 117 117 ALA HB3 H 1 1.296 0.020 . 1 . . . . . 117 ALA HB# . 52205 1 1179 . 1 . 1 117 117 ALA C C 13 178.246 0.3 . 1 . . . . . 117 ALA C . 52205 1 1180 . 1 . 1 117 117 ALA CA C 13 52.850 0.3 . 1 . . . . . 117 ALA CA . 52205 1 1181 . 1 . 1 117 117 ALA CB C 13 18.947 0.3 . 1 . . . . . 117 ALA CB . 52205 1 1182 . 1 . 1 117 117 ALA N N 15 118.238 0.3 . 1 . . . . . 117 ALA N . 52205 1 1183 . 1 . 1 118 118 LEU H H 1 7.782 0.020 . 1 . . . . . 118 LEU H . 52205 1 1184 . 1 . 1 118 118 LEU HA H 1 3.759 0.020 . 1 . . . . . 118 LEU HA . 52205 1 1185 . 1 . 1 118 118 LEU HB2 H 1 1.682 0.020 . 2 . . . . . 118 LEU HB2 . 52205 1 1186 . 1 . 1 118 118 LEU HB3 H 1 1.429 0.020 . 2 . . . . . 118 LEU HB3 . 52205 1 1187 . 1 . 1 118 118 LEU HG H 1 0.995 0.020 . 1 . . . . . 118 LEU HG . 52205 1 1188 . 1 . 1 118 118 LEU HD11 H 1 0.232 0.020 . 2 . . . . . 118 LEU QD1 . 52205 1 1189 . 1 . 1 118 118 LEU HD12 H 1 0.232 0.020 . 2 . . . . . 118 LEU QD1 . 52205 1 1190 . 1 . 1 118 118 LEU HD13 H 1 0.232 0.020 . 2 . . . . . 118 LEU QD1 . 52205 1 1191 . 1 . 1 118 118 LEU HD21 H 1 -0.277 0.020 . 2 . . . . . 118 LEU QD2 . 52205 1 1192 . 1 . 1 118 118 LEU HD22 H 1 -0.277 0.020 . 2 . . . . . 118 LEU QD2 . 52205 1 1193 . 1 . 1 118 118 LEU HD23 H 1 -0.277 0.020 . 2 . . . . . 118 LEU QD2 . 52205 1 1194 . 1 . 1 118 118 LEU C C 13 176.871 0.3 . 1 . . . . . 118 LEU C . 52205 1 1195 . 1 . 1 118 118 LEU CA C 13 56.162 0.3 . 1 . . . . . 118 LEU CA . 52205 1 1196 . 1 . 1 118 118 LEU CB C 13 39.863 0.3 . 1 . . . . . 118 LEU CB . 52205 1 1197 . 1 . 1 118 118 LEU CG C 13 28.070 0.3 . 1 . . . . . 118 LEU CG . 52205 1 1198 . 1 . 1 118 118 LEU CD1 C 13 24.295 0.3 . 1 . . . . . 118 LEU CD1 . 52205 1 1199 . 1 . 1 118 118 LEU CD2 C 13 22.613 0.3 . 1 . . . . . 118 LEU CD2 . 52205 1 1200 . 1 . 1 118 118 LEU N N 15 114.385 0.3 . 1 . . . . . 118 LEU N . 52205 1 1201 . 1 . 1 119 119 THR H H 1 7.137 0.020 . 1 . . . . . 119 THR H . 52205 1 1202 . 1 . 1 119 119 THR HA H 1 3.715 0.020 . 1 . . . . . 119 THR HA . 52205 1 1203 . 1 . 1 119 119 THR HB H 1 3.865 0.020 . 1 . . . . . 119 THR HB . 52205 1 1204 . 1 . 1 119 119 THR HG21 H 1 1.062 0.020 . 1 . . . . . 119 THR QG2 . 52205 1 1205 . 1 . 1 119 119 THR HG22 H 1 1.062 0.020 . 1 . . . . . 119 THR QG2 . 52205 1 1206 . 1 . 1 119 119 THR HG23 H 1 1.062 0.020 . 1 . . . . . 119 THR QG2 . 52205 1 1207 . 1 . 1 119 119 THR C C 13 175.888 0.3 . 1 . . . . . 119 THR C . 52205 1 1208 . 1 . 1 119 119 THR CA C 13 64.708 0.3 . 1 . . . . . 119 THR CA . 52205 1 1209 . 1 . 1 119 119 THR CB C 13 68.833 0.3 . 1 . . . . . 119 THR CB . 52205 1 1210 . 1 . 1 119 119 THR CG2 C 13 22.489 0.3 . 1 . . . . . 119 THR CG2 . 52205 1 1211 . 1 . 1 119 119 THR N N 15 112.028 0.3 . 1 . . . . . 119 THR N . 52205 1 1212 . 1 . 1 120 120 ASN H H 1 9.038 0.020 . 1 . . . . . 120 ASN H . 52205 1 1213 . 1 . 1 120 120 ASN HA H 1 4.870 0.020 . 1 . . . . . 120 ASN HA . 52205 1 1214 . 1 . 1 120 120 ASN HB2 H 1 2.217 0.020 . 2 . . . . . 120 ASN HB2 . 52205 1 1215 . 1 . 1 120 120 ASN HB3 H 1 3.356 0.020 . 2 . . . . . 120 ASN HB3 . 52205 1 1216 . 1 . 1 120 120 ASN HD21 H 1 7.470 0.020 . 1 . . . . . 120 ASN HD21 . 52205 1 1217 . 1 . 1 120 120 ASN HD22 H 1 7.470 0.020 . 1 . . . . . 120 ASN HD22 . 52205 1 1218 . 1 . 1 120 120 ASN CA C 13 52.809 0.3 . 1 . . . . . 120 ASN CA . 52205 1 1219 . 1 . 1 120 120 ASN CB C 13 38.006 0.3 . 1 . . . . . 120 ASN CB . 52205 1 1220 . 1 . 1 120 120 ASN N N 15 120.682 0.3 . 1 . . . . . 120 ASN N . 52205 1 1221 . 1 . 1 120 120 ASN ND2 N 15 112.167 0.3 . 1 . . . . . 120 ASN ND2 . 52205 1 1222 . 1 . 1 121 121 LYS H H 1 6.445 0.020 . 1 . . . . . 121 LYS H . 52205 1 1223 . 1 . 1 121 121 LYS HA H 1 4.049 0.020 . 1 . . . . . 121 LYS HA . 52205 1 1224 . 1 . 1 121 121 LYS HB2 H 1 1.604 0.020 . 2 . . . . . 121 LYS HB2 . 52205 1 1225 . 1 . 1 121 121 LYS HB3 H 1 1.535 0.020 . 2 . . . . . 121 LYS HB3 . 52205 1 1226 . 1 . 1 121 121 LYS HG2 H 1 1.369 0.020 . 1 . . . . . 121 LYS HG2 . 52205 1 1227 . 1 . 1 121 121 LYS HG3 H 1 1.369 0.020 . 1 . . . . . 121 LYS HG3 . 52205 1 1228 . 1 . 1 121 121 LYS HD2 H 1 0.987 0.020 . 2 . . . . . 121 LYS HD2 . 52205 1 1229 . 1 . 1 121 121 LYS HD3 H 1 1.482 0.020 . 2 . . . . . 121 LYS HD3 . 52205 1 1230 . 1 . 1 121 121 LYS C C 13 175.636 0.3 . 1 . . . . . 121 LYS C . 52205 1 1231 . 1 . 1 121 121 LYS CA C 13 56.718 0.3 . 1 . . . . . 121 LYS CA . 52205 1 1232 . 1 . 1 121 121 LYS CB C 13 33.142 0.3 . 1 . . . . . 121 LYS CB . 52205 1 1233 . 1 . 1 121 121 LYS CG C 13 24.180 0.3 . 1 . . . . . 121 LYS CG . 52205 1 1234 . 1 . 1 121 121 LYS CD C 13 28.687 0.3 . 1 . . . . . 121 LYS CD . 52205 1 1235 . 1 . 1 121 121 LYS CE C 13 41.852 0.3 . 1 . . . . . 121 LYS CE . 52205 1 1236 . 1 . 1 121 121 LYS N N 15 115.830 0.3 . 1 . . . . . 121 LYS N . 52205 1 1237 . 1 . 1 122 122 ILE H H 1 8.476 0.020 . 1 . . . . . 122 ILE H . 52205 1 1238 . 1 . 1 122 122 ILE HA H 1 3.738 0.020 . 1 . . . . . 122 ILE HA . 52205 1 1239 . 1 . 1 122 122 ILE HB H 1 1.199 0.020 . 1 . . . . . 122 ILE HB . 52205 1 1240 . 1 . 1 122 122 ILE HG12 H 1 1.778 0.020 . 2 . . . . . 122 ILE HG12 . 52205 1 1241 . 1 . 1 122 122 ILE HG13 H 1 1.098 0.020 . 2 . . . . . 122 ILE HG13 . 52205 1 1242 . 1 . 1 122 122 ILE HG21 H 1 0.580 0.020 . 1 . . . . . 122 ILE QG2 . 52205 1 1243 . 1 . 1 122 122 ILE HG22 H 1 0.580 0.020 . 1 . . . . . 122 ILE QG2 . 52205 1 1244 . 1 . 1 122 122 ILE HG23 H 1 0.580 0.020 . 1 . . . . . 122 ILE QG2 . 52205 1 1245 . 1 . 1 122 122 ILE HD11 H 1 0.860 0.020 . 1 . . . . . 122 ILE QD1 . 52205 1 1246 . 1 . 1 122 122 ILE HD12 H 1 0.860 0.020 . 1 . . . . . 122 ILE QD1 . 52205 1 1247 . 1 . 1 122 122 ILE HD13 H 1 0.860 0.020 . 1 . . . . . 122 ILE QD1 . 52205 1 1248 . 1 . 1 122 122 ILE C C 13 173.556 0.3 . 1 . . . . . 122 ILE C . 52205 1 1249 . 1 . 1 122 122 ILE CA C 13 60.513 0.3 . 1 . . . . . 122 ILE CA . 52205 1 1250 . 1 . 1 122 122 ILE CB C 13 40.474 0.3 . 1 . . . . . 122 ILE CB . 52205 1 1251 . 1 . 1 122 122 ILE CG1 C 13 28.121 0.3 . 1 . . . . . 122 ILE CG1 . 52205 1 1252 . 1 . 1 122 122 ILE CG2 C 13 16.800 0.3 . 1 . . . . . 122 ILE CG2 . 52205 1 1253 . 1 . 1 122 122 ILE CD1 C 13 15.676 0.3 . 1 . . . . . 122 ILE CD1 . 52205 1 1254 . 1 . 1 122 122 ILE N N 15 128.189 0.3 . 1 . . . . . 122 ILE N . 52205 1 1255 . 1 . 1 123 123 ILE H H 1 8.590 0.020 . 1 . . . . . 123 ILE H . 52205 1 1256 . 1 . 1 123 123 ILE HA H 1 4.256 0.020 . 1 . . . . . 123 ILE HA . 52205 1 1257 . 1 . 1 123 123 ILE HB H 1 1.896 0.020 . 1 . . . . . 123 ILE HB . 52205 1 1258 . 1 . 1 123 123 ILE HG12 H 1 1.449 0.020 . 2 . . . . . 123 ILE HG12 . 52205 1 1259 . 1 . 1 123 123 ILE HG13 H 1 0.429 0.020 . 2 . . . . . 123 ILE HG13 . 52205 1 1260 . 1 . 1 123 123 ILE HG21 H 1 0.655 0.020 . 1 . . . . . 123 ILE QG2 . 52205 1 1261 . 1 . 1 123 123 ILE HG22 H 1 0.655 0.020 . 1 . . . . . 123 ILE QG2 . 52205 1 1262 . 1 . 1 123 123 ILE HG23 H 1 0.655 0.020 . 1 . . . . . 123 ILE QG2 . 52205 1 1263 . 1 . 1 123 123 ILE HD11 H 1 0.730 0.020 . 1 . . . . . 123 ILE QD1 . 52205 1 1264 . 1 . 1 123 123 ILE HD12 H 1 0.730 0.020 . 1 . . . . . 123 ILE QD1 . 52205 1 1265 . 1 . 1 123 123 ILE HD13 H 1 0.730 0.020 . 1 . . . . . 123 ILE QD1 . 52205 1 1266 . 1 . 1 123 123 ILE CA C 13 58.102 0.3 . 1 . . . . . 123 ILE CA . 52205 1 1267 . 1 . 1 123 123 ILE CB C 13 37.395 0.3 . 1 . . . . . 123 ILE CB . 52205 1 1268 . 1 . 1 123 123 ILE CG1 C 13 27.000 0.3 . 1 . . . . . 123 ILE CG1 . 52205 1 1269 . 1 . 1 123 123 ILE CG2 C 13 16.860 0.3 . 1 . . . . . 123 ILE CG2 . 52205 1 1270 . 1 . 1 123 123 ILE CD1 C 13 13.984 0.3 . 1 . . . . . 123 ILE CD1 . 52205 1 1271 . 1 . 1 123 123 ILE N N 15 129.605 0.3 . 1 . . . . . 123 ILE N . 52205 1 1272 . 1 . 1 124 124 PRO HA H 1 3.980 0.020 . 1 . . . . . 124 PRO HA . 52205 1 1273 . 1 . 1 124 124 PRO HB2 H 1 2.209 0.020 . 1 . . . . . 124 PRO HB2 . 52205 1 1274 . 1 . 1 124 124 PRO HB3 H 1 2.209 0.020 . 1 . . . . . 124 PRO HB3 . 52205 1 1275 . 1 . 1 124 124 PRO HG2 H 1 1.793 0.020 . 2 . . . . . 124 PRO HG2 . 52205 1 1276 . 1 . 1 124 124 PRO HG3 H 1 1.472 0.020 . 2 . . . . . 124 PRO HG3 . 52205 1 1277 . 1 . 1 124 124 PRO HD2 H 1 3.321 0.020 . 1 . . . . . 124 PRO HD2 . 52205 1 1278 . 1 . 1 124 124 PRO HD3 H 1 3.321 0.020 . 1 . . . . . 124 PRO HD3 . 52205 1 1279 . 1 . 1 124 124 PRO C C 13 176.412 0.3 . 1 . . . . . 124 PRO C . 52205 1 1280 . 1 . 1 124 124 PRO CA C 13 62.908 0.3 . 1 . . . . . 124 PRO CA . 52205 1 1281 . 1 . 1 124 124 PRO CB C 13 31.608 0.3 . 1 . . . . . 124 PRO CB . 52205 1 1282 . 1 . 1 124 124 PRO CG C 13 28.130 0.3 . 1 . . . . . 124 PRO CG . 52205 1 1283 . 1 . 1 124 124 PRO CD C 13 51.326 0.3 . 1 . . . . . 124 PRO CD . 52205 1 1284 . 1 . 1 125 125 GLY H H 1 8.564 0.020 . 1 . . . . . 125 GLY H . 52205 1 1285 . 1 . 1 125 125 GLY HA2 H 1 4.113 0.020 . 2 . . . . . 125 GLY HA2 . 52205 1 1286 . 1 . 1 125 125 GLY HA3 H 1 3.575 0.020 . 2 . . . . . 125 GLY HA3 . 52205 1 1287 . 1 . 1 125 125 GLY C C 13 173.820 0.3 . 1 . . . . . 125 GLY C . 52205 1 1288 . 1 . 1 125 125 GLY CA C 13 45.454 0.3 . 1 . . . . . 125 GLY CA . 52205 1 1289 . 1 . 1 125 125 GLY N N 15 111.267 0.3 . 1 . . . . . 125 GLY N . 52205 1 1290 . 1 . 1 126 126 ASP H H 1 8.041 0.020 . 1 . . . . . 126 ASP H . 52205 1 1291 . 1 . 1 126 126 ASP HA H 1 4.774 0.020 . 1 . . . . . 126 ASP HA . 52205 1 1292 . 1 . 1 126 126 ASP HB2 H 1 3.357 0.020 . 2 . . . . . 126 ASP HB2 . 52205 1 1293 . 1 . 1 126 126 ASP HB3 H 1 2.329 0.020 . 2 . . . . . 126 ASP HB3 . 52205 1 1294 . 1 . 1 126 126 ASP CA C 13 52.653 0.3 . 1 . . . . . 126 ASP CA . 52205 1 1295 . 1 . 1 126 126 ASP CB C 13 42.230 0.3 . 1 . . . . . 126 ASP CB . 52205 1 1296 . 1 . 1 126 126 ASP N N 15 120.174 0.3 . 1 . . . . . 126 ASP N . 52205 1 1297 . 1 . 1 127 127 SER HA H 1 4.345 0.020 . 1 . . . . . 127 SER HA . 52205 1 1298 . 1 . 1 127 127 SER HB2 H 1 3.976 0.020 . 2 . . . . . 127 SER HB2 . 52205 1 1299 . 1 . 1 127 127 SER HB3 H 1 3.932 0.020 . 2 . . . . . 127 SER HB3 . 52205 1 1300 . 1 . 1 127 127 SER C C 13 175.672 0.3 . 1 . . . . . 127 SER C . 52205 1 1301 . 1 . 1 127 127 SER CA C 13 61.005 0.3 . 1 . . . . . 127 SER CA . 52205 1 1302 . 1 . 1 127 127 SER CB C 13 62.728 0.3 . 1 . . . . . 127 SER CB . 52205 1 1303 . 1 . 1 128 128 THR H H 1 8.893 0.020 . 1 . . . . . 128 THR H . 52205 1 1304 . 1 . 1 128 128 THR HA H 1 4.437 0.020 . 1 . . . . . 128 THR HA . 52205 1 1305 . 1 . 1 128 128 THR HB H 1 4.383 0.020 . 1 . . . . . 128 THR HB . 52205 1 1306 . 1 . 1 128 128 THR HG21 H 1 1.127 0.020 . 1 . . . . . 128 THR QG2 . 52205 1 1307 . 1 . 1 128 128 THR HG22 H 1 1.127 0.020 . 1 . . . . . 128 THR QG2 . 52205 1 1308 . 1 . 1 128 128 THR HG23 H 1 1.127 0.020 . 1 . . . . . 128 THR QG2 . 52205 1 1309 . 1 . 1 128 128 THR C C 13 174.208 0.3 . 1 . . . . . 128 THR C . 52205 1 1310 . 1 . 1 128 128 THR CA C 13 61.729 0.3 . 1 . . . . . 128 THR CA . 52205 1 1311 . 1 . 1 128 128 THR CB C 13 68.952 0.3 . 1 . . . . . 128 THR CB . 52205 1 1312 . 1 . 1 128 128 THR CG2 C 13 21.758 0.3 . 1 . . . . . 128 THR CG2 . 52205 1 1313 . 1 . 1 128 128 THR N N 15 113.997 0.3 . 1 . . . . . 128 THR N . 52205 1 1314 . 1 . 1 129 129 GLN H H 1 7.543 0.020 . 1 . . . . . 129 GLN H . 52205 1 1315 . 1 . 1 129 129 GLN HA H 1 5.008 0.020 . 1 . . . . . 129 GLN HA . 52205 1 1316 . 1 . 1 129 129 GLN HB2 H 1 2.223 0.020 . 2 . . . . . 129 GLN HB2 . 52205 1 1317 . 1 . 1 129 129 GLN HB3 H 1 2.430 0.020 . 2 . . . . . 129 GLN HB3 . 52205 1 1318 . 1 . 1 129 129 GLN HG2 H 1 2.619 0.020 . 2 . . . . . 129 GLN HG2 . 52205 1 1319 . 1 . 1 129 129 GLN HG3 H 1 1.994 0.020 . 2 . . . . . 129 GLN HG3 . 52205 1 1320 . 1 . 1 129 129 GLN HE21 H 1 8.052 0.020 . 1 . . . . . 129 GLN HE21 . 52205 1 1321 . 1 . 1 129 129 GLN HE22 H 1 7.617 0.020 . 1 . . . . . 129 GLN HE22 . 52205 1 1322 . 1 . 1 129 129 GLN CA C 13 53.522 0.3 . 1 . . . . . 129 GLN CA . 52205 1 1323 . 1 . 1 129 129 GLN CB C 13 29.375 0.3 . 1 . . . . . 129 GLN CB . 52205 1 1324 . 1 . 1 129 129 GLN CG C 13 34.081 0.3 . 1 . . . . . 129 GLN CG . 52205 1 1325 . 1 . 1 129 129 GLN N N 15 120.276 0.3 . 1 . . . . . 129 GLN N . 52205 1 1326 . 1 . 1 129 129 GLN NE2 N 15 110.787 0.3 . 1 . . . . . 129 GLN NE2 . 52205 1 1327 . 1 . 1 130 130 PRO HA H 1 4.378 0.020 . 1 . . . . . 130 PRO HA . 52205 1 1328 . 1 . 1 130 130 PRO HB2 H 1 2.169 0.020 . 2 . . . . . 130 PRO HB2 . 52205 1 1329 . 1 . 1 130 130 PRO HB3 H 1 1.803 0.020 . 2 . . . . . 130 PRO HB3 . 52205 1 1330 . 1 . 1 130 130 PRO HG2 H 1 1.844 0.020 . 2 . . . . . 130 PRO HG2 . 52205 1 1331 . 1 . 1 130 130 PRO HG3 H 1 1.807 0.020 . 2 . . . . . 130 PRO HG3 . 52205 1 1332 . 1 . 1 130 130 PRO HD2 H 1 3.798 0.020 . 2 . . . . . 130 PRO HD2 . 52205 1 1333 . 1 . 1 130 130 PRO HD3 H 1 3.597 0.020 . 2 . . . . . 130 PRO HD3 . 52205 1 1334 . 1 . 1 130 130 PRO C C 13 175.601 0.3 . 1 . . . . . 130 PRO C . 52205 1 1335 . 1 . 1 130 130 PRO CA C 13 63.103 0.3 . 1 . . . . . 130 PRO CA . 52205 1 1336 . 1 . 1 130 130 PRO CB C 13 31.586 0.3 . 1 . . . . . 130 PRO CB . 52205 1 1337 . 1 . 1 130 130 PRO CG C 13 27.720 0.3 . 1 . . . . . 130 PRO CG . 52205 1 1338 . 1 . 1 130 130 PRO CD C 13 51.311 0.3 . 1 . . . . . 130 PRO CD . 52205 1 1339 . 1 . 1 131 131 LYS H H 1 8.363 0.020 . 1 . . . . . 131 LYS H . 52205 1 1340 . 1 . 1 131 131 LYS HA H 1 4.821 0.020 . 1 . . . . . 131 LYS HA . 52205 1 1341 . 1 . 1 131 131 LYS HB2 H 1 1.915 0.020 . 2 . . . . . 131 LYS HB2 . 52205 1 1342 . 1 . 1 131 131 LYS HB3 H 1 1.702 0.020 . 2 . . . . . 131 LYS HB3 . 52205 1 1343 . 1 . 1 131 131 LYS HD2 H 1 1.580 0.020 . 1 . . . . . 131 LYS HD2 . 52205 1 1344 . 1 . 1 131 131 LYS HD3 H 1 1.580 0.020 . 1 . . . . . 131 LYS HD3 . 52205 1 1345 . 1 . 1 131 131 LYS HE2 H 1 4.338 0.020 . 1 . . . . . 131 LYS HE2 . 52205 1 1346 . 1 . 1 131 131 LYS HE3 H 1 4.338 0.020 . 1 . . . . . 131 LYS HE3 . 52205 1 1347 . 1 . 1 131 131 LYS C C 13 177.629 0.3 . 1 . . . . . 131 LYS C . 52205 1 1348 . 1 . 1 131 131 LYS CA C 13 53.652 0.3 . 1 . . . . . 131 LYS CA . 52205 1 1349 . 1 . 1 131 131 LYS CB C 13 34.109 0.3 . 1 . . . . . 131 LYS CB . 52205 1 1350 . 1 . 1 131 131 LYS CG C 13 23.644 0.3 . 1 . . . . . 131 LYS CG . 52205 1 1351 . 1 . 1 131 131 LYS CD C 13 24.127 0.3 . 1 . . . . . 131 LYS CD . 52205 1 1352 . 1 . 1 131 131 LYS CE C 13 42.472 0.3 . 1 . . . . . 131 LYS CE . 52205 1 1353 . 1 . 1 131 131 LYS N N 15 119.075 0.3 . 1 . . . . . 131 LYS N . 52205 1 1354 . 1 . 1 132 132 ALA H H 1 8.481 0.020 . 1 . . . . . 132 ALA H . 52205 1 1355 . 1 . 1 132 132 ALA HA H 1 4.475 0.020 . 1 . . . . . 132 ALA HA . 52205 1 1356 . 1 . 1 132 132 ALA HB1 H 1 1.339 0.020 . 1 . . . . . 132 ALA HB# . 52205 1 1357 . 1 . 1 132 132 ALA HB2 H 1 1.339 0.020 . 1 . . . . . 132 ALA HB# . 52205 1 1358 . 1 . 1 132 132 ALA HB3 H 1 1.339 0.020 . 1 . . . . . 132 ALA HB# . 52205 1 1359 . 1 . 1 132 132 ALA C C 13 177.117 0.3 . 1 . . . . . 132 ALA C . 52205 1 1360 . 1 . 1 132 132 ALA CA C 13 51.180 0.3 . 1 . . . . . 132 ALA CA . 52205 1 1361 . 1 . 1 132 132 ALA CB C 13 18.988 0.3 . 1 . . . . . 132 ALA CB . 52205 1 1362 . 1 . 1 132 132 ALA N N 15 126.375 0.3 . 1 . . . . . 132 ALA N . 52205 1 1363 . 1 . 1 133 133 LYS H H 1 8.639 0.020 . 1 . . . . . 133 LYS H . 52205 1 1364 . 1 . 1 133 133 LYS HA H 1 4.402 0.020 . 1 . . . . . 133 LYS HA . 52205 1 1365 . 1 . 1 133 133 LYS HB2 H 1 1.664 0.020 . 2 . . . . . 133 LYS HB2 . 52205 1 1366 . 1 . 1 133 133 LYS HB3 H 1 1.700 0.020 . 2 . . . . . 133 LYS HB3 . 52205 1 1367 . 1 . 1 133 133 LYS HG2 H 1 1.437 0.020 . 2 . . . . . 133 LYS HG2 . 52205 1 1368 . 1 . 1 133 133 LYS HG3 H 1 1.356 0.020 . 2 . . . . . 133 LYS HG3 . 52205 1 1369 . 1 . 1 133 133 LYS HD2 H 1 1.647 0.020 . 1 . . . . . 133 LYS HD2 . 52205 1 1370 . 1 . 1 133 133 LYS HD3 H 1 1.647 0.020 . 1 . . . . . 133 LYS HD3 . 52205 1 1371 . 1 . 1 133 133 LYS HE2 H 1 2.965 0.020 . 1 . . . . . 133 LYS HE2 . 52205 1 1372 . 1 . 1 133 133 LYS HE3 H 1 2.965 0.020 . 1 . . . . . 133 LYS HE3 . 52205 1 1373 . 1 . 1 133 133 LYS C C 13 177.329 0.3 . 1 . . . . . 133 LYS C . 52205 1 1374 . 1 . 1 133 133 LYS CA C 13 55.177 0.3 . 1 . . . . . 133 LYS CA . 52205 1 1375 . 1 . 1 133 133 LYS CB C 13 32.986 0.3 . 1 . . . . . 133 LYS CB . 52205 1 1376 . 1 . 1 133 133 LYS CG C 13 24.652 0.3 . 1 . . . . . 133 LYS CG . 52205 1 1377 . 1 . 1 133 133 LYS CD C 13 28.999 0.3 . 1 . . . . . 133 LYS CD . 52205 1 1378 . 1 . 1 133 133 LYS CE C 13 42.076 0.3 . 1 . . . . . 133 LYS CE . 52205 1 1379 . 1 . 1 133 133 LYS N N 15 122.274 0.3 . 1 . . . . . 133 LYS N . 52205 1 1380 . 1 . 1 134 134 GLY H H 1 8.745 0.020 . 1 . . . . . 134 GLY H . 52205 1 1381 . 1 . 1 134 134 GLY HA2 H 1 2.603 0.020 . 2 . . . . . 134 GLY HA2 . 52205 1 1382 . 1 . 1 134 134 GLY HA3 H 1 2.420 0.020 . 2 . . . . . 134 GLY HA3 . 52205 1 1383 . 1 . 1 134 134 GLY C C 13 173.044 0.3 . 1 . . . . . 134 GLY C . 52205 1 1384 . 1 . 1 134 134 GLY CA C 13 45.349 0.3 . 1 . . . . . 134 GLY CA . 52205 1 1385 . 1 . 1 134 134 GLY N N 15 115.321 0.3 . 1 . . . . . 134 GLY N . 52205 1 1386 . 1 . 1 135 135 ASP H H 1 8.860 0.020 . 1 . . . . . 135 ASP H . 52205 1 1387 . 1 . 1 135 135 ASP HA H 1 4.694 0.020 . 1 . . . . . 135 ASP HA . 52205 1 1388 . 1 . 1 135 135 ASP HB2 H 1 2.781 0.020 . 2 . . . . . 135 ASP HB2 . 52205 1 1389 . 1 . 1 135 135 ASP HB3 H 1 2.508 0.020 . 2 . . . . . 135 ASP HB3 . 52205 1 1390 . 1 . 1 135 135 ASP C C 13 177.424 0.3 . 1 . . . . . 135 ASP C . 52205 1 1391 . 1 . 1 135 135 ASP CA C 13 52.376 0.3 . 1 . . . . . 135 ASP CA . 52205 1 1392 . 1 . 1 135 135 ASP CB C 13 41.157 0.3 . 1 . . . . . 135 ASP CB . 52205 1 1393 . 1 . 1 135 135 ASP N N 15 124.816 0.3 . 1 . . . . . 135 ASP N . 52205 1 1394 . 1 . 1 136 136 ALA H H 1 8.932 0.020 . 1 . . . . . 136 ALA H . 52205 1 1395 . 1 . 1 136 136 ALA HA H 1 4.680 0.020 . 1 . . . . . 136 ALA HA . 52205 1 1396 . 1 . 1 136 136 ALA HB1 H 1 1.432 0.020 . 1 . . . . . 136 ALA HB# . 52205 1 1397 . 1 . 1 136 136 ALA HB2 H 1 1.432 0.020 . 1 . . . . . 136 ALA HB# . 52205 1 1398 . 1 . 1 136 136 ALA HB3 H 1 1.432 0.020 . 1 . . . . . 136 ALA HB# . 52205 1 1399 . 1 . 1 136 136 ALA C C 13 177.735 0.3 . 1 . . . . . 136 ALA C . 52205 1 1400 . 1 . 1 136 136 ALA CA C 13 52.859 0.3 . 1 . . . . . 136 ALA CA . 52205 1 1401 . 1 . 1 136 136 ALA CB C 13 19.453 0.3 . 1 . . . . . 136 ALA CB . 52205 1 1402 . 1 . 1 136 136 ALA N N 15 130.233 0.3 . 1 . . . . . 136 ALA N . 52205 1 1403 . 1 . 1 137 137 SER H H 1 8.471 0.020 . 1 . . . . . 137 SER H . 52205 1 1404 . 1 . 1 137 137 SER HA H 1 4.295 0.020 . 1 . . . . . 137 SER HA . 52205 1 1405 . 1 . 1 137 137 SER HB2 H 1 3.881 0.020 . 2 . . . . . 137 SER HB2 . 52205 1 1406 . 1 . 1 137 137 SER HB3 H 1 3.826 0.020 . 2 . . . . . 137 SER HB3 . 52205 1 1407 . 1 . 1 137 137 SER C C 13 175.336 0.3 . 1 . . . . . 137 SER C . 52205 1 1408 . 1 . 1 137 137 SER CA C 13 59.852 0.3 . 1 . . . . . 137 SER CA . 52205 1 1409 . 1 . 1 137 137 SER CB C 13 64.103 0.3 . 1 . . . . . 137 SER CB . 52205 1 1410 . 1 . 1 137 137 SER N N 15 113.462 0.3 . 1 . . . . . 137 SER N . 52205 1 1411 . 1 . 1 138 138 ALA H H 1 6.741 0.020 . 1 . . . . . 138 ALA H . 52205 1 1412 . 1 . 1 138 138 ALA HA H 1 4.135 0.020 . 1 . . . . . 138 ALA HA . 52205 1 1413 . 1 . 1 138 138 ALA HB1 H 1 1.200 0.020 . 1 . . . . . 138 ALA HB# . 52205 1 1414 . 1 . 1 138 138 ALA HB2 H 1 1.200 0.020 . 1 . . . . . 138 ALA HB# . 52205 1 1415 . 1 . 1 138 138 ALA HB3 H 1 1.200 0.020 . 1 . . . . . 138 ALA HB# . 52205 1 1416 . 1 . 1 138 138 ALA C C 13 176.377 0.3 . 1 . . . . . 138 ALA C . 52205 1 1417 . 1 . 1 138 138 ALA CA C 13 52.929 0.3 . 1 . . . . . 138 ALA CA . 52205 1 1418 . 1 . 1 138 138 ALA CB C 13 22.003 0.3 . 1 . . . . . 138 ALA CB . 52205 1 1419 . 1 . 1 138 138 ALA N N 15 122.032 0.3 . 1 . . . . . 138 ALA N . 52205 1 1420 . 1 . 1 139 139 VAL H H 1 7.092 0.020 . 1 . . . . . 139 VAL H . 52205 1 1421 . 1 . 1 139 139 VAL HA H 1 4.036 0.020 . 1 . . . . . 139 VAL HA . 52205 1 1422 . 1 . 1 139 139 VAL HB H 1 1.507 0.020 . 1 . . . . . 139 VAL HB . 52205 1 1423 . 1 . 1 139 139 VAL HG11 H 1 0.621 0.020 . 1 . . . . . 139 VAL QG1 . 52205 1 1424 . 1 . 1 139 139 VAL HG12 H 1 0.621 0.020 . 1 . . . . . 139 VAL QG1 . 52205 1 1425 . 1 . 1 139 139 VAL HG13 H 1 0.621 0.020 . 1 . . . . . 139 VAL QG1 . 52205 1 1426 . 1 . 1 139 139 VAL HG21 H 1 0.514 0.020 . 1 . . . . . 139 VAL QG2 . 52205 1 1427 . 1 . 1 139 139 VAL HG22 H 1 0.514 0.020 . 1 . . . . . 139 VAL QG2 . 52205 1 1428 . 1 . 1 139 139 VAL HG23 H 1 0.514 0.020 . 1 . . . . . 139 VAL QG2 . 52205 1 1429 . 1 . 1 139 139 VAL CA C 13 59.559 0.3 . 1 . . . . . 139 VAL CA . 52205 1 1430 . 1 . 1 139 139 VAL CB C 13 35.602 0.3 . 1 . . . . . 139 VAL CB . 52205 1 1431 . 1 . 1 139 139 VAL CG1 C 13 21.121 0.3 . 1 . . . . . 139 VAL CG1 . 52205 1 1432 . 1 . 1 139 139 VAL CG2 C 13 20.223 0.3 . 1 . . . . . 139 VAL CG2 . 52205 1 1433 . 1 . 1 139 139 VAL N N 15 114.338 0.3 . 1 . . . . . 139 VAL N . 52205 1 1434 . 1 . 1 140 140 ALA H H 1 8.330 0.020 . 1 . . . . . 140 ALA H . 52205 1 1435 . 1 . 1 140 140 ALA HA H 1 4.053 0.020 . 1 . . . . . 140 ALA HA . 52205 1 1436 . 1 . 1 140 140 ALA HB1 H 1 1.217 0.020 . 1 . . . . . 140 ALA HB# . 52205 1 1437 . 1 . 1 140 140 ALA HB2 H 1 1.217 0.020 . 1 . . . . . 140 ALA HB# . 52205 1 1438 . 1 . 1 140 140 ALA HB3 H 1 1.217 0.020 . 1 . . . . . 140 ALA HB# . 52205 1 1439 . 1 . 1 140 140 ALA C C 13 177.823 0.3 . 1 . . . . . 140 ALA C . 52205 1 1440 . 1 . 1 140 140 ALA CA C 13 53.057 0.3 . 1 . . . . . 140 ALA CA . 52205 1 1441 . 1 . 1 140 140 ALA CB C 13 18.204 0.3 . 1 . . . . . 140 ALA CB . 52205 1 1442 . 1 . 1 140 140 ALA N N 15 128.557 0.3 . 1 . . . . . 140 ALA N . 52205 1 1443 . 1 . 1 141 141 ASP H H 1 8.659 0.020 . 1 . . . . . 141 ASP H . 52205 1 1444 . 1 . 1 141 141 ASP HA H 1 4.345 0.020 . 1 . . . . . 141 ASP HA . 52205 1 1445 . 1 . 1 141 141 ASP HB2 H 1 2.805 0.020 . 2 . . . . . 141 ASP HB2 . 52205 1 1446 . 1 . 1 141 141 ASP HB3 H 1 2.542 0.020 . 2 . . . . . 141 ASP HB3 . 52205 1 1447 . 1 . 1 141 141 ASP C C 13 175.777 0.3 . 1 . . . . . 141 ASP C . 52205 1 1448 . 1 . 1 141 141 ASP CA C 13 54.578 0.3 . 1 . . . . . 141 ASP CA . 52205 1 1449 . 1 . 1 141 141 ASP CB C 13 40.710 0.3 . 1 . . . . . 141 ASP CB . 52205 1 1450 . 1 . 1 141 141 ASP N N 15 118.657 0.3 . 1 . . . . . 141 ASP N . 52205 1 1451 . 1 . 1 142 142 GLY H H 1 7.618 0.020 . 1 . . . . . 142 GLY H . 52205 1 1452 . 1 . 1 142 142 GLY HA2 H 1 4.398 0.020 . 2 . . . . . 142 GLY HA2 . 52205 1 1453 . 1 . 1 142 142 GLY HA3 H 1 3.915 0.020 . 2 . . . . . 142 GLY HA3 . 52205 1 1454 . 1 . 1 142 142 GLY C C 13 171.475 0.3 . 1 . . . . . 142 GLY C . 52205 1 1455 . 1 . 1 142 142 GLY CA C 13 46.204 0.3 . 1 . . . . . 142 GLY CA . 52205 1 1456 . 1 . 1 142 142 GLY N N 15 106.368 0.3 . 1 . . . . . 142 GLY N . 52205 1 1457 . 1 . 1 143 143 ALA H H 1 8.890 0.020 . 1 . . . . . 143 ALA H . 52205 1 1458 . 1 . 1 143 143 ALA HA H 1 4.435 0.020 . 1 . . . . . 143 ALA HA . 52205 1 1459 . 1 . 1 143 143 ALA HB1 H 1 0.772 0.020 . 1 . . . . . 143 ALA HB# . 52205 1 1460 . 1 . 1 143 143 ALA HB2 H 1 0.772 0.020 . 1 . . . . . 143 ALA HB# . 52205 1 1461 . 1 . 1 143 143 ALA HB3 H 1 0.772 0.020 . 1 . . . . . 143 ALA HB# . 52205 1 1462 . 1 . 1 143 143 ALA C C 13 173.749 0.3 . 1 . . . . . 143 ALA C . 52205 1 1463 . 1 . 1 143 143 ALA CA C 13 51.105 0.3 . 1 . . . . . 143 ALA CA . 52205 1 1464 . 1 . 1 143 143 ALA CB C 13 22.714 0.3 . 1 . . . . . 143 ALA CB . 52205 1 1465 . 1 . 1 143 143 ALA N N 15 120.314 0.3 . 1 . . . . . 143 ALA N . 52205 1 1466 . 1 . 1 144 144 ARG H H 1 7.495 0.020 . 1 . . . . . 144 ARG H . 52205 1 1467 . 1 . 1 144 144 ARG HA H 1 5.176 0.020 . 1 . . . . . 144 ARG HA . 52205 1 1468 . 1 . 1 144 144 ARG HB2 H 1 1.780 0.020 . 2 . . . . . 144 ARG HB2 . 52205 1 1469 . 1 . 1 144 144 ARG HB3 H 1 1.473 0.020 . 2 . . . . . 144 ARG HB3 . 52205 1 1470 . 1 . 1 144 144 ARG HG2 H 1 1.393 0.020 . 2 . . . . . 144 ARG HG2 . 52205 1 1471 . 1 . 1 144 144 ARG HG3 H 1 1.331 0.020 . 2 . . . . . 144 ARG HG3 . 52205 1 1472 . 1 . 1 144 144 ARG HD2 H 1 2.672 0.020 . 2 . . . . . 144 ARG HD2 . 52205 1 1473 . 1 . 1 144 144 ARG HD3 H 1 2.995 0.020 . 2 . . . . . 144 ARG HD3 . 52205 1 1474 . 1 . 1 144 144 ARG HE H 1 10.060 0.020 . 1 . . . . . 144 ARG HE . 52205 1 1475 . 1 . 1 144 144 ARG C C 13 175.319 0.3 . 1 . . . . . 144 ARG C . 52205 1 1476 . 1 . 1 144 144 ARG CA C 13 54.464 0.3 . 1 . . . . . 144 ARG CA . 52205 1 1477 . 1 . 1 144 144 ARG CB C 13 34.561 0.3 . 1 . . . . . 144 ARG CB . 52205 1 1478 . 1 . 1 144 144 ARG CG C 13 25.020 0.3 . 1 . . . . . 144 ARG CG . 52205 1 1479 . 1 . 1 144 144 ARG CD C 13 43.481 0.3 . 1 . . . . . 144 ARG CD . 52205 1 1480 . 1 . 1 144 144 ARG N N 15 119.734 0.3 . 1 . . . . . 144 ARG N . 52205 1 1481 . 1 . 1 144 144 ARG NE N 15 84.900 0.3 . 1 . . . . . 144 ARG NE . 52205 1 1482 . 1 . 1 145 145 PHE H H 1 9.514 0.020 . 1 . . . . . 145 PHE H . 52205 1 1483 . 1 . 1 145 145 PHE HA H 1 4.422 0.020 . 1 . . . . . 145 PHE HA . 52205 1 1484 . 1 . 1 145 145 PHE HB2 H 1 2.962 0.020 . 2 . . . . . 145 PHE HB2 . 52205 1 1485 . 1 . 1 145 145 PHE HB3 H 1 2.725 0.020 . 2 . . . . . 145 PHE HB3 . 52205 1 1486 . 1 . 1 145 145 PHE HD1 H 1 7.047 0.020 . 1 . . . . . 145 PHE HD1 . 52205 1 1487 . 1 . 1 145 145 PHE HD2 H 1 7.047 0.020 . 1 . . . . . 145 PHE HD2 . 52205 1 1488 . 1 . 1 145 145 PHE HE1 H 1 7.030 0.020 . 1 . . . . . 145 PHE HE1 . 52205 1 1489 . 1 . 1 145 145 PHE HE2 H 1 7.030 0.020 . 1 . . . . . 145 PHE HE2 . 52205 1 1490 . 1 . 1 145 145 PHE C C 13 174.120 0.3 . 1 . . . . . 145 PHE C . 52205 1 1491 . 1 . 1 145 145 PHE CA C 13 56.494 0.3 . 1 . . . . . 145 PHE CA . 52205 1 1492 . 1 . 1 145 145 PHE CB C 13 41.555 0.3 . 1 . . . . . 145 PHE CB . 52205 1 1493 . 1 . 1 145 145 PHE CD1 C 13 132.618 0.3 . 1 . . . . . 145 PHE CD1 . 52205 1 1494 . 1 . 1 145 145 PHE CD2 C 13 132.618 0.3 . 1 . . . . . 145 PHE CD2 . 52205 1 1495 . 1 . 1 145 145 PHE CE1 C 13 130.505 0.3 . 1 . . . . . 145 PHE CE1 . 52205 1 1496 . 1 . 1 145 145 PHE CE2 C 13 130.505 0.3 . 1 . . . . . 145 PHE CE2 . 52205 1 1497 . 1 . 1 145 145 PHE N N 15 130.482 0.3 . 1 . . . . . 145 PHE N . 52205 1 1498 . 1 . 1 146 146 THR H H 1 8.234 0.020 . 1 . . . . . 146 THR H . 52205 1 1499 . 1 . 1 146 146 THR HA H 1 4.465 0.020 . 1 . . . . . 146 THR HA . 52205 1 1500 . 1 . 1 146 146 THR HB H 1 3.578 0.020 . 1 . . . . . 146 THR HB . 52205 1 1501 . 1 . 1 146 146 THR HG21 H 1 0.686 0.020 . 1 . . . . . 146 THR QG2 . 52205 1 1502 . 1 . 1 146 146 THR HG22 H 1 0.686 0.020 . 1 . . . . . 146 THR QG2 . 52205 1 1503 . 1 . 1 146 146 THR HG23 H 1 0.686 0.020 . 1 . . . . . 146 THR QG2 . 52205 1 1504 . 1 . 1 146 146 THR C C 13 171.404 0.3 . 1 . . . . . 146 THR C . 52205 1 1505 . 1 . 1 146 146 THR CA C 13 62.794 0.3 . 1 . . . . . 146 THR CA . 52205 1 1506 . 1 . 1 146 146 THR CB C 13 69.914 0.3 . 1 . . . . . 146 THR CB . 52205 1 1507 . 1 . 1 146 146 THR CG2 C 13 20.791 0.3 . 1 . . . . . 146 THR CG2 . 52205 1 1508 . 1 . 1 146 146 THR N N 15 120.379 0.3 . 1 . . . . . 146 THR N . 52205 1 1509 . 1 . 1 147 147 TYR H H 1 7.889 0.020 . 1 . . . . . 147 TYR H . 52205 1 1510 . 1 . 1 147 147 TYR HA H 1 4.302 0.020 . 1 . . . . . 147 TYR HA . 52205 1 1511 . 1 . 1 147 147 TYR HB2 H 1 2.567 0.020 . 2 . . . . . 147 TYR HB2 . 52205 1 1512 . 1 . 1 147 147 TYR HB3 H 1 1.168 0.020 . 2 . . . . . 147 TYR HB3 . 52205 1 1513 . 1 . 1 147 147 TYR HD1 H 1 6.710 0.020 . 1 . . . . . 147 TYR HD1 . 52205 1 1514 . 1 . 1 147 147 TYR HD2 H 1 6.710 0.020 . 1 . . . . . 147 TYR HD2 . 52205 1 1515 . 1 . 1 147 147 TYR C C 13 173.613 0.3 . 1 . . . . . 147 TYR C . 52205 1 1516 . 1 . 1 147 147 TYR CA C 13 56.607 0.3 . 1 . . . . . 147 TYR CA . 52205 1 1517 . 1 . 1 147 147 TYR CB C 13 43.749 0.3 . 1 . . . . . 147 TYR CB . 52205 1 1518 . 1 . 1 147 147 TYR N N 15 121.758 0.3 . 1 . . . . . 147 TYR N . 52205 1 1519 . 1 . 1 148 148 TYR H H 1 8.498 0.020 . 1 . . . . . 148 TYR H . 52205 1 1520 . 1 . 1 148 148 TYR HA H 1 4.937 0.020 . 1 . . . . . 148 TYR HA . 52205 1 1521 . 1 . 1 148 148 TYR HB2 H 1 2.572 0.020 . 2 . . . . . 148 TYR HB2 . 52205 1 1522 . 1 . 1 148 148 TYR HB3 H 1 2.395 0.020 . 2 . . . . . 148 TYR HB3 . 52205 1 1523 . 1 . 1 148 148 TYR HD1 H 1 6.388 0.020 . 1 . . . . . 148 TYR HD1 . 52205 1 1524 . 1 . 1 148 148 TYR HD2 H 1 6.388 0.020 . 1 . . . . . 148 TYR HD2 . 52205 1 1525 . 1 . 1 148 148 TYR HE1 H 1 6.587 0.020 . 1 . . . . . 148 TYR HE1 . 52205 1 1526 . 1 . 1 148 148 TYR HE2 H 1 6.587 0.020 . 1 . . . . . 148 TYR HE2 . 52205 1 1527 . 1 . 1 148 148 TYR C C 13 173.891 0.3 . 1 . . . . . 148 TYR C . 52205 1 1528 . 1 . 1 148 148 TYR CA C 13 56.597 0.3 . 1 . . . . . 148 TYR CA . 52205 1 1529 . 1 . 1 148 148 TYR CB C 13 41.654 0.3 . 1 . . . . . 148 TYR CB . 52205 1 1530 . 1 . 1 148 148 TYR CD1 C 13 132.400 0.3 . 1 . . . . . 148 TYR CD1 . 52205 1 1531 . 1 . 1 148 148 TYR CD2 C 13 132.400 0.3 . 1 . . . . . 148 TYR CD2 . 52205 1 1532 . 1 . 1 148 148 TYR CE1 C 13 117.760 0.3 . 1 . . . . . 148 TYR CE1 . 52205 1 1533 . 1 . 1 148 148 TYR CE2 C 13 117.760 0.3 . 1 . . . . . 148 TYR CE2 . 52205 1 1534 . 1 . 1 148 148 TYR N N 15 115.126 0.3 . 1 . . . . . 148 TYR N . 52205 1 1535 . 1 . 1 149 149 VAL H H 1 8.758 0.020 . 1 . . . . . 149 VAL H . 52205 1 1536 . 1 . 1 149 149 VAL HA H 1 4.982 0.020 . 1 . . . . . 149 VAL HA . 52205 1 1537 . 1 . 1 149 149 VAL HB H 1 1.385 0.020 . 1 . . . . . 149 VAL HB . 52205 1 1538 . 1 . 1 149 149 VAL HG11 H 1 -0.166 0.020 . 1 . . . . . 149 VAL QG1 . 52205 1 1539 . 1 . 1 149 149 VAL HG12 H 1 -0.166 0.020 . 1 . . . . . 149 VAL QG1 . 52205 1 1540 . 1 . 1 149 149 VAL HG13 H 1 -0.166 0.020 . 1 . . . . . 149 VAL QG1 . 52205 1 1541 . 1 . 1 149 149 VAL HG21 H 1 0.697 0.020 . 1 . . . . . 149 VAL QG2 . 52205 1 1542 . 1 . 1 149 149 VAL HG22 H 1 0.697 0.020 . 1 . . . . . 149 VAL QG2 . 52205 1 1543 . 1 . 1 149 149 VAL HG23 H 1 0.697 0.020 . 1 . . . . . 149 VAL QG2 . 52205 1 1544 . 1 . 1 149 149 VAL C C 13 171.634 0.3 . 1 . . . . . 149 VAL C . 52205 1 1545 . 1 . 1 149 149 VAL CA C 13 58.289 0.3 . 1 . . . . . 149 VAL CA . 52205 1 1546 . 1 . 1 149 149 VAL CB C 13 35.013 0.3 . 1 . . . . . 149 VAL CB . 52205 1 1547 . 1 . 1 149 149 VAL CG1 C 13 19.960 0.3 . 1 . . . . . 149 VAL CG1 . 52205 1 1548 . 1 . 1 149 149 VAL CG2 C 13 17.596 0.3 . 1 . . . . . 149 VAL CG2 . 52205 1 1549 . 1 . 1 149 149 VAL N N 15 117.282 0.3 . 1 . . . . . 149 VAL N . 52205 1 1550 . 1 . 1 150 150 GLY H H 1 7.496 0.020 . 1 . . . . . 150 GLY H . 52205 1 1551 . 1 . 1 150 150 GLY HA2 H 1 3.949 0.020 . 1 . . . . . 150 GLY HA2 . 52205 1 1552 . 1 . 1 150 150 GLY HA3 H 1 3.949 0.020 . 1 . . . . . 150 GLY HA3 . 52205 1 1553 . 1 . 1 150 150 GLY C C 13 170.787 0.3 . 1 . . . . . 150 GLY C . 52205 1 1554 . 1 . 1 150 150 GLY CA C 13 44.727 0.3 . 1 . . . . . 150 GLY CA . 52205 1 1555 . 1 . 1 150 150 GLY N N 15 112.542 0.3 . 1 . . . . . 150 GLY N . 52205 1 1556 . 1 . 1 151 151 TYR H H 1 8.718 0.020 . 1 . . . . . 151 TYR H . 52205 1 1557 . 1 . 1 151 151 TYR HA H 1 5.337 0.020 . 1 . . . . . 151 TYR HA . 52205 1 1558 . 1 . 1 151 151 TYR HB2 H 1 2.725 0.020 . 1 . . . . . 151 TYR HB2 . 52205 1 1559 . 1 . 1 151 151 TYR HB3 H 1 2.725 0.020 . 1 . . . . . 151 TYR HB3 . 52205 1 1560 . 1 . 1 151 151 TYR HD1 H 1 6.646 0.020 . 1 . . . . . 151 TYR HD1 . 52205 1 1561 . 1 . 1 151 151 TYR HD2 H 1 6.646 0.020 . 1 . . . . . 151 TYR HD2 . 52205 1 1562 . 1 . 1 151 151 TYR HE1 H 1 6.547 0.020 . 1 . . . . . 151 TYR HE1 . 52205 1 1563 . 1 . 1 151 151 TYR HE2 H 1 6.547 0.020 . 1 . . . . . 151 TYR HE2 . 52205 1 1564 . 1 . 1 151 151 TYR C C 13 175.301 0.3 . 1 . . . . . 151 TYR C . 52205 1 1565 . 1 . 1 151 151 TYR CA C 13 55.702 0.3 . 1 . . . . . 151 TYR CA . 52205 1 1566 . 1 . 1 151 151 TYR CB C 13 40.418 0.3 . 1 . . . . . 151 TYR CB . 52205 1 1567 . 1 . 1 151 151 TYR CD1 C 13 132.99 0.3 . 1 . . . . . 151 TYR CD1 . 52205 1 1568 . 1 . 1 151 151 TYR CD2 C 13 132.99 0.3 . 1 . . . . . 151 TYR CD2 . 52205 1 1569 . 1 . 1 151 151 TYR N N 15 117.153 0.3 . 1 . . . . . 151 TYR N . 52205 1 1570 . 1 . 1 152 152 ALA H H 1 8.550 0.020 . 1 . . . . . 152 ALA H . 52205 1 1571 . 1 . 1 152 152 ALA HA H 1 4.552 0.020 . 1 . . . . . 152 ALA HA . 52205 1 1572 . 1 . 1 152 152 ALA HB1 H 1 0.611 0.020 . 1 . . . . . 152 ALA HB# . 52205 1 1573 . 1 . 1 152 152 ALA HB2 H 1 0.611 0.020 . 1 . . . . . 152 ALA HB# . 52205 1 1574 . 1 . 1 152 152 ALA HB3 H 1 0.611 0.020 . 1 . . . . . 152 ALA HB# . 52205 1 1575 . 1 . 1 152 152 ALA C C 13 174.825 0.3 . 1 . . . . . 152 ALA C . 52205 1 1576 . 1 . 1 152 152 ALA CA C 13 52.900 0.3 . 1 . . . . . 152 ALA CA . 52205 1 1577 . 1 . 1 152 152 ALA CB C 13 22.439 0.3 . 1 . . . . . 152 ALA CB . 52205 1 1578 . 1 . 1 152 152 ALA N N 15 118.794 0.3 . 1 . . . . . 152 ALA N . 52205 1 1579 . 1 . 1 153 153 THR H H 1 9.230 0.020 . 1 . . . . . 153 THR H . 52205 1 1580 . 1 . 1 153 153 THR HA H 1 4.945 0.020 . 1 . . . . . 153 THR HA . 52205 1 1581 . 1 . 1 153 153 THR HB H 1 4.071 0.020 . 1 . . . . . 153 THR HB . 52205 1 1582 . 1 . 1 153 153 THR HG21 H 1 1.068 0.020 . 1 . . . . . 153 THR QG2 . 52205 1 1583 . 1 . 1 153 153 THR HG22 H 1 1.068 0.020 . 1 . . . . . 153 THR QG2 . 52205 1 1584 . 1 . 1 153 153 THR HG23 H 1 1.068 0.020 . 1 . . . . . 153 THR QG2 . 52205 1 1585 . 1 . 1 153 153 THR C C 13 173.801 0.3 . 1 . . . . . 153 THR C . 52205 1 1586 . 1 . 1 153 153 THR CA C 13 58.482 0.3 . 1 . . . . . 153 THR CA . 52205 1 1587 . 1 . 1 153 153 THR CB C 13 69.779 0.3 . 1 . . . . . 153 THR CB . 52205 1 1588 . 1 . 1 153 153 THR CG2 C 13 19.994 0.3 . 1 . . . . . 153 THR CG2 . 52205 1 1589 . 1 . 1 153 153 THR N N 15 113.387 0.3 . 1 . . . . . 153 THR N . 52205 1 1590 . 1 . 1 154 154 SER H H 1 9.667 0.020 . 1 . . . . . 154 SER H . 52205 1 1591 . 1 . 1 154 154 SER HA H 1 4.746 0.020 . 1 . . . . . 154 SER HA . 52205 1 1592 . 1 . 1 154 154 SER HB2 H 1 4.101 0.020 . 2 . . . . . 154 SER HB2 . 52205 1 1593 . 1 . 1 154 154 SER HB3 H 1 3.450 0.020 . 2 . . . . . 154 SER HB3 . 52205 1 1594 . 1 . 1 154 154 SER C C 13 173.820 0.3 . 1 . . . . . 154 SER C . 52205 1 1595 . 1 . 1 154 154 SER CA C 13 58.413 0.3 . 1 . . . . . 154 SER CA . 52205 1 1596 . 1 . 1 154 154 SER CB C 13 62.966 0.3 . 1 . . . . . 154 SER CB . 52205 1 1597 . 1 . 1 154 154 SER N N 15 125.307 0.3 . 1 . . . . . 154 SER N . 52205 1 1598 . 1 . 1 155 155 ALA H H 1 8.541 0.020 . 1 . . . . . 155 ALA H . 52205 1 1599 . 1 . 1 155 155 ALA HA H 1 4.744 0.020 . 1 . . . . . 155 ALA HA . 52205 1 1600 . 1 . 1 155 155 ALA HB1 H 1 1.069 0.020 . 1 . . . . . 155 ALA HB# . 52205 1 1601 . 1 . 1 155 155 ALA HB2 H 1 1.069 0.020 . 1 . . . . . 155 ALA HB# . 52205 1 1602 . 1 . 1 155 155 ALA HB3 H 1 1.069 0.020 . 1 . . . . . 155 ALA HB# . 52205 1 1603 . 1 . 1 155 155 ALA C C 13 174.772 0.3 . 1 . . . . . 155 ALA C . 52205 1 1604 . 1 . 1 155 155 ALA CA C 13 50.467 0.3 . 1 . . . . . 155 ALA CA . 52205 1 1605 . 1 . 1 155 155 ALA CB C 13 20.210 0.3 . 1 . . . . . 155 ALA CB . 52205 1 1606 . 1 . 1 155 155 ALA N N 15 122.558 0.3 . 1 . . . . . 155 ALA N . 52205 1 1607 . 1 . 1 156 156 PRO HA H 1 4.025 0.020 . 1 . . . . . 156 PRO HA . 52205 1 1608 . 1 . 1 156 156 PRO HB2 H 1 2.500 0.020 . 2 . . . . . 156 PRO HB2 . 52205 1 1609 . 1 . 1 156 156 PRO HB3 H 1 1.915 0.020 . 2 . . . . . 156 PRO HB3 . 52205 1 1610 . 1 . 1 156 156 PRO HG2 H 1 2.070 0.020 . 2 . . . . . 156 PRO HG2 . 52205 1 1611 . 1 . 1 156 156 PRO HG3 H 1 2.033 0.020 . 2 . . . . . 156 PRO HG3 . 52205 1 1612 . 1 . 1 156 156 PRO HD2 H 1 3.717 0.020 . 2 . . . . . 156 PRO HD2 . 52205 1 1613 . 1 . 1 156 156 PRO HD3 H 1 3.357 0.020 . 2 . . . . . 156 PRO HD3 . 52205 1 1614 . 1 . 1 156 156 PRO C C 13 177.382 0.3 . 1 . . . . . 156 PRO C . 52205 1 1615 . 1 . 1 156 156 PRO CA C 13 65.766 0.3 . 1 . . . . . 156 PRO CA . 52205 1 1616 . 1 . 1 156 156 PRO CB C 13 33.456 0.3 . 1 . . . . . 156 PRO CB . 52205 1 1617 . 1 . 1 156 156 PRO CG C 13 26.798 0.3 . 1 . . . . . 156 PRO CG . 52205 1 1618 . 1 . 1 156 156 PRO CD C 13 50.132 0.3 . 1 . . . . . 156 PRO CD . 52205 1 1619 . 1 . 1 157 157 THR H H 1 7.886 0.020 . 1 . . . . . 157 THR H . 52205 1 1620 . 1 . 1 157 157 THR HA H 1 3.956 0.020 . 1 . . . . . 157 THR HA . 52205 1 1621 . 1 . 1 157 157 THR HB H 1 4.428 0.020 . 1 . . . . . 157 THR HB . 52205 1 1622 . 1 . 1 157 157 THR HG21 H 1 1.227 0.020 . 1 . . . . . 157 THR QG2 . 52205 1 1623 . 1 . 1 157 157 THR HG22 H 1 1.227 0.020 . 1 . . . . . 157 THR QG2 . 52205 1 1624 . 1 . 1 157 157 THR HG23 H 1 1.227 0.020 . 1 . . . . . 157 THR QG2 . 52205 1 1625 . 1 . 1 157 157 THR C C 13 175.248 0.3 . 1 . . . . . 157 THR C . 52205 1 1626 . 1 . 1 157 157 THR CA C 13 64.050 0.3 . 1 . . . . . 157 THR CA . 52205 1 1627 . 1 . 1 157 157 THR CB C 13 68.563 0.3 . 1 . . . . . 157 THR CB . 52205 1 1628 . 1 . 1 157 157 THR CG2 C 13 21.763 0.3 . 1 . . . . . 157 THR CG2 . 52205 1 1629 . 1 . 1 157 157 THR N N 15 103.433 0.3 . 1 . . . . . 157 THR N . 52205 1 1630 . 1 . 1 158 158 THR H H 1 8.181 0.020 . 1 . . . . . 158 THR H . 52205 1 1631 . 1 . 1 158 158 THR HA H 1 4.502 0.020 . 1 . . . . . 158 THR HA . 52205 1 1632 . 1 . 1 158 158 THR HB H 1 4.284 0.020 . 1 . . . . . 158 THR HB . 52205 1 1633 . 1 . 1 158 158 THR HG21 H 1 1.026 0.020 . 1 . . . . . 158 THR QG2 . 52205 1 1634 . 1 . 1 158 158 THR HG22 H 1 1.026 0.020 . 1 . . . . . 158 THR QG2 . 52205 1 1635 . 1 . 1 158 158 THR HG23 H 1 1.026 0.020 . 1 . . . . . 158 THR QG2 . 52205 1 1636 . 1 . 1 158 158 THR C C 13 174.907 0.3 . 1 . . . . . 158 THR C . 52205 1 1637 . 1 . 1 158 158 THR CA C 13 61.398 0.3 . 1 . . . . . 158 THR CA . 52205 1 1638 . 1 . 1 158 158 THR CB C 13 69.762 0.3 . 1 . . . . . 158 THR CB . 52205 1 1639 . 1 . 1 158 158 THR CG2 C 13 21.510 0.3 . 1 . . . . . 158 THR CG2 . 52205 1 1640 . 1 . 1 158 158 THR N N 15 109.820 0.3 . 1 . . . . . 158 THR N . 52205 1 1641 . 1 . 1 159 159 VAL H H 1 6.827 0.020 . 1 . . . . . 159 VAL H . 52205 1 1642 . 1 . 1 159 159 VAL HA H 1 4.359 0.020 . 1 . . . . . 159 VAL HA . 52205 1 1643 . 1 . 1 159 159 VAL HB H 1 1.738 0.020 . 1 . . . . . 159 VAL HB . 52205 1 1644 . 1 . 1 159 159 VAL HG11 H 1 0.940 0.020 . 1 . . . . . 159 VAL QG1 . 52205 1 1645 . 1 . 1 159 159 VAL HG12 H 1 0.940 0.020 . 1 . . . . . 159 VAL QG1 . 52205 1 1646 . 1 . 1 159 159 VAL HG13 H 1 0.940 0.020 . 1 . . . . . 159 VAL QG1 . 52205 1 1647 . 1 . 1 159 159 VAL HG21 H 1 0.964 0.020 . 1 . . . . . 159 VAL QG2 . 52205 1 1648 . 1 . 1 159 159 VAL HG22 H 1 0.964 0.020 . 1 . . . . . 159 VAL QG2 . 52205 1 1649 . 1 . 1 159 159 VAL HG23 H 1 0.964 0.020 . 1 . . . . . 159 VAL QG2 . 52205 1 1650 . 1 . 1 159 159 VAL C C 13 175.513 0.3 . 1 . . . . . 159 VAL C . 52205 1 1651 . 1 . 1 159 159 VAL CA C 13 63.123 0.3 . 1 . . . . . 159 VAL CA . 52205 1 1652 . 1 . 1 159 159 VAL CB C 13 32.059 0.3 . 1 . . . . . 159 VAL CB . 52205 1 1653 . 1 . 1 159 159 VAL CG1 C 13 22.689 0.3 . 1 . . . . . 159 VAL CG1 . 52205 1 1654 . 1 . 1 159 159 VAL CG2 C 13 24.898 0.3 . 1 . . . . . 159 VAL CG2 . 52205 1 1655 . 1 . 1 159 159 VAL N N 15 126.125 0.3 . 1 . . . . . 159 VAL N . 52205 1 1656 . 1 . 1 160 160 THR H H 1 7.234 0.020 . 1 . . . . . 160 THR H . 52205 1 1657 . 1 . 1 160 160 THR HA H 1 4.794 0.020 . 1 . . . . . 160 THR HA . 52205 1 1658 . 1 . 1 160 160 THR HB H 1 4.530 0.020 . 1 . . . . . 160 THR HB . 52205 1 1659 . 1 . 1 160 160 THR HG21 H 1 1.092 0.020 . 1 . . . . . 160 THR QG2 . 52205 1 1660 . 1 . 1 160 160 THR HG22 H 1 1.092 0.020 . 1 . . . . . 160 THR QG2 . 52205 1 1661 . 1 . 1 160 160 THR HG23 H 1 1.092 0.020 . 1 . . . . . 160 THR QG2 . 52205 1 1662 . 1 . 1 160 160 THR C C 13 172.356 0.3 . 1 . . . . . 160 THR C . 52205 1 1663 . 1 . 1 160 160 THR CA C 13 59.133 0.3 . 1 . . . . . 160 THR CA . 52205 1 1664 . 1 . 1 160 160 THR CB C 13 71.030 0.3 . 1 . . . . . 160 THR CB . 52205 1 1665 . 1 . 1 160 160 THR CG2 C 13 22.061 0.3 . 1 . . . . . 160 THR CG2 . 52205 1 1666 . 1 . 1 160 160 THR N N 15 115.507 0.3 . 1 . . . . . 160 THR N . 52205 1 1667 . 1 . 1 161 161 THR H H 1 7.633 0.020 . 1 . . . . . 161 THR H . 52205 1 1668 . 1 . 1 161 161 THR HA H 1 3.907 0.020 . 1 . . . . . 161 THR HA . 52205 1 1669 . 1 . 1 161 161 THR HB H 1 4.267 0.020 . 1 . . . . . 161 THR HB . 52205 1 1670 . 1 . 1 161 161 THR HG21 H 1 1.055 0.020 . 1 . . . . . 161 THR QG2 . 52205 1 1671 . 1 . 1 161 161 THR HG22 H 1 1.055 0.020 . 1 . . . . . 161 THR QG2 . 52205 1 1672 . 1 . 1 161 161 THR HG23 H 1 1.055 0.020 . 1 . . . . . 161 THR QG2 . 52205 1 1673 . 1 . 1 161 161 THR C C 13 174.925 0.3 . 1 . . . . . 161 THR C . 52205 1 1674 . 1 . 1 161 161 THR CA C 13 61.183 0.3 . 1 . . . . . 161 THR CA . 52205 1 1675 . 1 . 1 161 161 THR CB C 13 70.556 0.3 . 1 . . . . . 161 THR CB . 52205 1 1676 . 1 . 1 161 161 THR CG2 C 13 22.775 0.3 . 1 . . . . . 161 THR CG2 . 52205 1 1677 . 1 . 1 161 161 THR N N 15 102.940 0.3 . 1 . . . . . 161 THR N . 52205 1 1678 . 1 . 1 162 162 GLY H H 1 8.574 0.020 . 1 . . . . . 162 GLY H . 52205 1 1679 . 1 . 1 162 162 GLY HA2 H 1 4.705 0.020 . 2 . . . . . 162 GLY HA2 . 52205 1 1680 . 1 . 1 162 162 GLY HA3 H 1 3.832 0.020 . 2 . . . . . 162 GLY HA3 . 52205 1 1681 . 1 . 1 162 162 GLY C C 13 173.573 0.3 . 1 . . . . . 162 GLY C . 52205 1 1682 . 1 . 1 162 162 GLY CA C 13 43.603 0.3 . 1 . . . . . 162 GLY CA . 52205 1 1683 . 1 . 1 162 162 GLY N N 15 104.910 0.3 . 1 . . . . . 162 GLY N . 52205 1 1684 . 1 . 1 163 163 VAL H H 1 8.587 0.020 . 1 . . . . . 163 VAL H . 52205 1 1685 . 1 . 1 163 163 VAL HA H 1 4.391 0.020 . 1 . . . . . 163 VAL HA . 52205 1 1686 . 1 . 1 163 163 VAL HB H 1 2.382 0.020 . 1 . . . . . 163 VAL HB . 52205 1 1687 . 1 . 1 163 163 VAL HG11 H 1 0.989 0.020 . 1 . . . . . 163 VAL QG1 . 52205 1 1688 . 1 . 1 163 163 VAL HG12 H 1 0.989 0.020 . 1 . . . . . 163 VAL QG1 . 52205 1 1689 . 1 . 1 163 163 VAL HG13 H 1 0.989 0.020 . 1 . . . . . 163 VAL QG1 . 52205 1 1690 . 1 . 1 163 163 VAL HG21 H 1 1.113 0.020 . 1 . . . . . 163 VAL QG2 . 52205 1 1691 . 1 . 1 163 163 VAL HG22 H 1 1.113 0.020 . 1 . . . . . 163 VAL QG2 . 52205 1 1692 . 1 . 1 163 163 VAL HG23 H 1 1.113 0.020 . 1 . . . . . 163 VAL QG2 . 52205 1 1693 . 1 . 1 163 163 VAL C C 13 176.871 0.3 . 1 . . . . . 163 VAL C . 52205 1 1694 . 1 . 1 163 163 VAL CA C 13 63.089 0.3 . 1 . . . . . 163 VAL CA . 52205 1 1695 . 1 . 1 163 163 VAL CB C 13 33.183 0.3 . 1 . . . . . 163 VAL CB . 52205 1 1696 . 1 . 1 163 163 VAL CG1 C 13 19.429 0.3 . 1 . . . . . 163 VAL CG1 . 52205 1 1697 . 1 . 1 163 163 VAL CG2 C 13 22.113 0.3 . 1 . . . . . 163 VAL CG2 . 52205 1 1698 . 1 . 1 163 163 VAL N N 15 114.661 0.3 . 1 . . . . . 163 VAL N . 52205 1 1699 . 1 . 1 164 164 VAL H H 1 7.994 0.020 . 1 . . . . . 164 VAL H . 52205 1 1700 . 1 . 1 164 164 VAL HA H 1 4.147 0.020 . 1 . . . . . 164 VAL HA . 52205 1 1701 . 1 . 1 164 164 VAL HB H 1 1.827 0.020 . 1 . . . . . 164 VAL HB . 52205 1 1702 . 1 . 1 164 164 VAL HG11 H 1 0.714 0.020 . 1 . . . . . 164 VAL QG1 . 52205 1 1703 . 1 . 1 164 164 VAL HG12 H 1 0.714 0.020 . 1 . . . . . 164 VAL QG1 . 52205 1 1704 . 1 . 1 164 164 VAL HG13 H 1 0.714 0.020 . 1 . . . . . 164 VAL QG1 . 52205 1 1705 . 1 . 1 164 164 VAL HG21 H 1 0.714 0.020 . 1 . . . . . 164 VAL QG2 . 52205 1 1706 . 1 . 1 164 164 VAL HG22 H 1 0.714 0.020 . 1 . . . . . 164 VAL QG2 . 52205 1 1707 . 1 . 1 164 164 VAL HG23 H 1 0.714 0.020 . 1 . . . . . 164 VAL QG2 . 52205 1 1708 . 1 . 1 164 164 VAL C C 13 171.343 0.3 . 1 . . . . . 164 VAL C . 52205 1 1709 . 1 . 1 164 164 VAL CA C 13 61.619 0.3 . 1 . . . . . 164 VAL CA . 52205 1 1710 . 1 . 1 164 164 VAL CB C 13 33.510 0.3 . 1 . . . . . 164 VAL CB . 52205 1 1711 . 1 . 1 164 164 VAL CG1 C 13 20.517 0.3 . 1 . . . . . 164 VAL CG1 . 52205 1 1712 . 1 . 1 164 164 VAL CG2 C 13 20.517 0.3 . 1 . . . . . 164 VAL CG2 . 52205 1 1713 . 1 . 1 164 164 VAL N N 15 123.313 0.3 . 1 . . . . . 164 VAL N . 52205 1 1714 . 1 . 1 165 165 ASN H H 1 8.013 0.020 . 1 . . . . . 165 ASN H . 52205 1 1715 . 1 . 1 165 165 ASN HA H 1 5.591 0.020 . 1 . . . . . 165 ASN HA . 52205 1 1716 . 1 . 1 165 165 ASN HB2 H 1 2.617 0.020 . 1 . . . . . 165 ASN HB2 . 52205 1 1717 . 1 . 1 165 165 ASN HB3 H 1 2.617 0.020 . 1 . . . . . 165 ASN HB3 . 52205 1 1718 . 1 . 1 165 165 ASN HD21 H 1 7.126 0.020 . 1 . . . . . 165 ASN HD21 . 52205 1 1719 . 1 . 1 165 165 ASN HD22 H 1 6.825 0.020 . 1 . . . . . 165 ASN HD22 . 52205 1 1720 . 1 . 1 165 165 ASN C C 13 174.790 0.3 . 1 . . . . . 165 ASN C . 52205 1 1721 . 1 . 1 165 165 ASN CA C 13 50.082 0.3 . 1 . . . . . 165 ASN CA . 52205 1 1722 . 1 . 1 165 165 ASN CB C 13 40.698 0.3 . 1 . . . . . 165 ASN CB . 52205 1 1723 . 1 . 1 165 165 ASN N N 15 126.398 0.3 . 1 . . . . . 165 ASN N . 52205 1 1724 . 1 . 1 165 165 ASN ND2 N 15 107.862 0.3 . 1 . . . . . 165 ASN ND2 . 52205 1 1725 . 1 . 1 166 166 SER H H 1 8.198 0.020 . 1 . . . . . 166 SER H . 52205 1 1726 . 1 . 1 166 166 SER HA H 1 4.574 0.020 . 1 . . . . . 166 SER HA . 52205 1 1727 . 1 . 1 166 166 SER HB2 H 1 3.736 0.020 . 2 . . . . . 166 SER HB2 . 52205 1 1728 . 1 . 1 166 166 SER HB3 H 1 3.098 0.020 . 2 . . . . . 166 SER HB3 . 52205 1 1729 . 1 . 1 166 166 SER C C 13 174.155 0.3 . 1 . . . . . 166 SER C . 52205 1 1730 . 1 . 1 166 166 SER CA C 13 59.272 0.3 . 1 . . . . . 166 SER CA . 52205 1 1731 . 1 . 1 166 166 SER CB C 13 64.195 0.3 . 1 . . . . . 166 SER CB . 52205 1 1732 . 1 . 1 166 166 SER N N 15 111.413 0.3 . 1 . . . . . 166 SER N . 52205 1 1733 . 1 . 1 167 167 TYR H H 1 7.779 0.020 . 1 . . . . . 167 TYR H . 52205 1 1734 . 1 . 1 167 167 TYR HA H 1 5.610 0.020 . 1 . . . . . 167 TYR HA . 52205 1 1735 . 1 . 1 167 167 TYR HB2 H 1 3.104 0.020 . 2 . . . . . 167 TYR HB2 . 52205 1 1736 . 1 . 1 167 167 TYR HB3 H 1 2.685 0.020 . 2 . . . . . 167 TYR HB3 . 52205 1 1737 . 1 . 1 167 167 TYR HD1 H 1 6.652 0.020 . 1 . . . . . 167 TYR HD1 . 52205 1 1738 . 1 . 1 167 167 TYR HD2 H 1 6.652 0.020 . 1 . . . . . 167 TYR HD2 . 52205 1 1739 . 1 . 1 167 167 TYR HE1 H 1 6.579 0.020 . 1 . . . . . 167 TYR HE1 . 52205 1 1740 . 1 . 1 167 167 TYR HE2 H 1 6.579 0.020 . 1 . . . . . 167 TYR HE2 . 52205 1 1741 . 1 . 1 167 167 TYR C C 13 172.110 0.3 . 1 . . . . . 167 TYR C . 52205 1 1742 . 1 . 1 167 167 TYR CA C 13 56.564 0.3 . 1 . . . . . 167 TYR CA . 52205 1 1743 . 1 . 1 167 167 TYR CB C 13 41.050 0.3 . 1 . . . . . 167 TYR CB . 52205 1 1744 . 1 . 1 167 167 TYR CD1 C 13 132.913 0.3 . 1 . . . . . 167 TYR CD1 . 52205 1 1745 . 1 . 1 167 167 TYR CD2 C 13 132.913 0.3 . 1 . . . . . 167 TYR CD2 . 52205 1 1746 . 1 . 1 167 167 TYR CE1 C 13 117.546 0.3 . 1 . . . . . 167 TYR CE1 . 52205 1 1747 . 1 . 1 167 167 TYR CE2 C 13 117.546 0.3 . 1 . . . . . 167 TYR CE2 . 52205 1 1748 . 1 . 1 167 167 TYR N N 15 112.645 0.3 . 1 . . . . . 167 TYR N . 52205 1 1749 . 1 . 1 168 168 ALA H H 1 8.977 0.020 . 1 . . . . . 168 ALA H . 52205 1 1750 . 1 . 1 168 168 ALA HA H 1 5.240 0.020 . 1 . . . . . 168 ALA HA . 52205 1 1751 . 1 . 1 168 168 ALA HB1 H 1 1.725 0.020 . 1 . . . . . 168 ALA HB# . 52205 1 1752 . 1 . 1 168 168 ALA HB2 H 1 1.725 0.020 . 1 . . . . . 168 ALA HB# . 52205 1 1753 . 1 . 1 168 168 ALA HB3 H 1 1.725 0.020 . 1 . . . . . 168 ALA HB# . 52205 1 1754 . 1 . 1 168 168 ALA C C 13 175.301 0.3 . 1 . . . . . 168 ALA C . 52205 1 1755 . 1 . 1 168 168 ALA CA C 13 51.444 0.3 . 1 . . . . . 168 ALA CA . 52205 1 1756 . 1 . 1 168 168 ALA CB C 13 24.564 0.3 . 1 . . . . . 168 ALA CB . 52205 1 1757 . 1 . 1 168 168 ALA N N 15 119.284 0.3 . 1 . . . . . 168 ALA N . 52205 1 1758 . 1 . 1 169 169 THR H H 1 8.863 0.020 . 1 . . . . . 169 THR H . 52205 1 1759 . 1 . 1 169 169 THR HA H 1 5.332 0.020 . 1 . . . . . 169 THR HA . 52205 1 1760 . 1 . 1 169 169 THR HB H 1 4.071 0.020 . 1 . . . . . 169 THR HB . 52205 1 1761 . 1 . 1 169 169 THR HG21 H 1 1.015 0.020 . 1 . . . . . 169 THR QG2 . 52205 1 1762 . 1 . 1 169 169 THR HG22 H 1 1.015 0.020 . 1 . . . . . 169 THR QG2 . 52205 1 1763 . 1 . 1 169 169 THR HG23 H 1 1.015 0.020 . 1 . . . . . 169 THR QG2 . 52205 1 1764 . 1 . 1 169 169 THR C C 13 173.362 0.3 . 1 . . . . . 169 THR C . 52205 1 1765 . 1 . 1 169 169 THR CA C 13 59.825 0.3 . 1 . . . . . 169 THR CA . 52205 1 1766 . 1 . 1 169 169 THR CB C 13 71.205 0.3 . 1 . . . . . 169 THR CB . 52205 1 1767 . 1 . 1 169 169 THR CG2 C 13 21.355 0.3 . 1 . . . . . 169 THR CG2 . 52205 1 1768 . 1 . 1 169 169 THR N N 15 111.940 0.3 . 1 . . . . . 169 THR N . 52205 1 1769 . 1 . 1 170 170 TYR H H 1 8.414 0.020 . 1 . . . . . 170 TYR H . 52205 1 1770 . 1 . 1 170 170 TYR HA H 1 5.330 0.020 . 1 . . . . . 170 TYR HA . 52205 1 1771 . 1 . 1 170 170 TYR HB2 H 1 1.563 0.020 . 2 . . . . . 170 TYR HB2 . 52205 1 1772 . 1 . 1 170 170 TYR HB3 H 1 0.909 0.020 . 2 . . . . . 170 TYR HB3 . 52205 1 1773 . 1 . 1 170 170 TYR HD1 H 1 6.145 0.020 . 1 . . . . . 170 TYR HD1 . 52205 1 1774 . 1 . 1 170 170 TYR HD2 H 1 6.145 0.020 . 1 . . . . . 170 TYR HD2 . 52205 1 1775 . 1 . 1 170 170 TYR HE1 H 1 6.158 0.020 . 1 . . . . . 170 TYR HE1 . 52205 1 1776 . 1 . 1 170 170 TYR HE2 H 1 6.158 0.020 . 1 . . . . . 170 TYR HE2 . 52205 1 1777 . 1 . 1 170 170 TYR C C 13 173.538 0.3 . 1 . . . . . 170 TYR C . 52205 1 1778 . 1 . 1 170 170 TYR CA C 13 55.029 0.3 . 1 . . . . . 170 TYR CA . 52205 1 1779 . 1 . 1 170 170 TYR CB C 13 40.306 0.3 . 1 . . . . . 170 TYR CB . 52205 1 1780 . 1 . 1 170 170 TYR CD1 C 13 132.117 0.3 . 1 . . . . . 170 TYR CD1 . 52205 1 1781 . 1 . 1 170 170 TYR CD2 C 13 132.117 0.3 . 1 . . . . . 170 TYR CD2 . 52205 1 1782 . 1 . 1 170 170 TYR CE1 C 13 116.080 0.3 . 1 . . . . . 170 TYR CE1 . 52205 1 1783 . 1 . 1 170 170 TYR CE2 C 13 116.080 0.3 . 1 . . . . . 170 TYR CE2 . 52205 1 1784 . 1 . 1 170 170 TYR N N 15 119.100 0.3 . 1 . . . . . 170 TYR N . 52205 1 1785 . 1 . 1 171 171 GLU H H 1 9.020 0.020 . 1 . . . . . 171 GLU H . 52205 1 1786 . 1 . 1 171 171 GLU HA H 1 4.812 0.020 . 1 . . . . . 171 GLU HA . 52205 1 1787 . 1 . 1 171 171 GLU HB2 H 1 1.795 0.020 . 2 . . . . . 171 GLU HB2 . 52205 1 1788 . 1 . 1 171 171 GLU HB3 H 1 1.722 0.020 . 2 . . . . . 171 GLU HB3 . 52205 1 1789 . 1 . 1 171 171 GLU HG2 H 1 2.189 0.020 . 2 . . . . . 171 GLU HG2 . 52205 1 1790 . 1 . 1 171 171 GLU HG3 H 1 2.023 0.020 . 2 . . . . . 171 GLU HG3 . 52205 1 1791 . 1 . 1 171 171 GLU C C 13 173.362 0.3 . 1 . . . . . 171 GLU C . 52205 1 1792 . 1 . 1 171 171 GLU CA C 13 53.884 0.3 . 1 . . . . . 171 GLU CA . 52205 1 1793 . 1 . 1 171 171 GLU CB C 13 33.964 0.3 . 1 . . . . . 171 GLU CB . 52205 1 1794 . 1 . 1 171 171 GLU CG C 13 36.218 0.3 . 1 . . . . . 171 GLU CG . 52205 1 1795 . 1 . 1 171 171 GLU N N 15 119.294 0.3 . 1 . . . . . 171 GLU N . 52205 1 1796 . 1 . 1 172 172 ILE H H 1 8.075 0.020 . 1 . . . . . 172 ILE H . 52205 1 1797 . 1 . 1 172 172 ILE HA H 1 4.804 0.020 . 1 . . . . . 172 ILE HA . 52205 1 1798 . 1 . 1 172 172 ILE HB H 1 1.392 0.020 . 1 . . . . . 172 ILE HB . 52205 1 1799 . 1 . 1 172 172 ILE HG12 H 1 1.146 0.020 . 2 . . . . . 172 ILE HG12 . 52205 1 1800 . 1 . 1 172 172 ILE HG13 H 1 1.027 0.020 . 2 . . . . . 172 ILE HG13 . 52205 1 1801 . 1 . 1 172 172 ILE HG21 H 1 0.800 0.020 . 1 . . . . . 172 ILE QG2 . 52205 1 1802 . 1 . 1 172 172 ILE HG22 H 1 0.800 0.020 . 1 . . . . . 172 ILE QG2 . 52205 1 1803 . 1 . 1 172 172 ILE HG23 H 1 0.800 0.020 . 1 . . . . . 172 ILE QG2 . 52205 1 1804 . 1 . 1 172 172 ILE HD11 H 1 0.559 0.020 . 1 . . . . . 172 ILE QD1 . 52205 1 1805 . 1 . 1 172 172 ILE HD12 H 1 0.559 0.020 . 1 . . . . . 172 ILE QD1 . 52205 1 1806 . 1 . 1 172 172 ILE HD13 H 1 0.559 0.020 . 1 . . . . . 172 ILE QD1 . 52205 1 1807 . 1 . 1 172 172 ILE C C 13 176.054 0.3 . 1 . . . . . 172 ILE C . 52205 1 1808 . 1 . 1 172 172 ILE CA C 13 56.994 0.3 . 1 . . . . . 172 ILE CA . 52205 1 1809 . 1 . 1 172 172 ILE CB C 13 37.336 0.3 . 1 . . . . . 172 ILE CB . 52205 1 1810 . 1 . 1 172 172 ILE CG1 C 13 26.514 0.3 . 1 . . . . . 172 ILE CG1 . 52205 1 1811 . 1 . 1 172 172 ILE CG2 C 13 18.088 0.3 . 1 . . . . . 172 ILE CG2 . 52205 1 1812 . 1 . 1 172 172 ILE CD1 C 13 12.587 0.3 . 1 . . . . . 172 ILE CD1 . 52205 1 1813 . 1 . 1 172 172 ILE N N 15 121.670 0.3 . 1 . . . . . 172 ILE N . 52205 1 1814 . 1 . 1 173 173 THR H H 1 9.008 0.020 . 1 . . . . . 173 THR H . 52205 1 1815 . 1 . 1 173 173 THR HA H 1 5.106 0.020 . 1 . . . . . 173 THR HA . 52205 1 1816 . 1 . 1 173 173 THR HB H 1 3.892 0.020 . 1 . . . . . 173 THR HB . 52205 1 1817 . 1 . 1 173 173 THR HG21 H 1 0.839 0.020 . 1 . . . . . 173 THR QG2 . 52205 1 1818 . 1 . 1 173 173 THR HG22 H 1 0.839 0.020 . 1 . . . . . 173 THR QG2 . 52205 1 1819 . 1 . 1 173 173 THR HG23 H 1 0.839 0.020 . 1 . . . . . 173 THR QG2 . 52205 1 1820 . 1 . 1 173 173 THR C C 13 172.956 0.3 . 1 . . . . . 173 THR C . 52205 1 1821 . 1 . 1 173 173 THR CA C 13 59.306 0.3 . 1 . . . . . 173 THR CA . 52205 1 1822 . 1 . 1 173 173 THR CB C 13 71.483 0.3 . 1 . . . . . 173 THR CB . 52205 1 1823 . 1 . 1 173 173 THR CG2 C 13 21.356 0.3 . 1 . . . . . 173 THR CG2 . 52205 1 1824 . 1 . 1 173 173 THR N N 15 119.402 0.3 . 1 . . . . . 173 THR N . 52205 1 1825 . 1 . 1 174 174 TYR H H 1 8.614 0.020 . 1 . . . . . 174 TYR H . 52205 1 1826 . 1 . 1 174 174 TYR HA H 1 4.853 0.020 . 1 . . . . . 174 TYR HA . 52205 1 1827 . 1 . 1 174 174 TYR HB2 H 1 2.727 0.020 . 2 . . . . . 174 TYR HB2 . 52205 1 1828 . 1 . 1 174 174 TYR HB3 H 1 2.297 0.020 . 2 . . . . . 174 TYR HB3 . 52205 1 1829 . 1 . 1 174 174 TYR HD1 H 1 6.657 0.020 . 1 . . . . . 174 TYR HD1 . 52205 1 1830 . 1 . 1 174 174 TYR HD2 H 1 6.657 0.020 . 1 . . . . . 174 TYR HD2 . 52205 1 1831 . 1 . 1 174 174 TYR C C 13 175.724 0.3 . 1 . . . . . 174 TYR C . 52205 1 1832 . 1 . 1 174 174 TYR CA C 13 57.454 0.3 . 1 . . . . . 174 TYR CA . 52205 1 1833 . 1 . 1 174 174 TYR CB C 13 41.667 0.3 . 1 . . . . . 174 TYR CB . 52205 1 1834 . 1 . 1 174 174 TYR CD1 C 13 132.370 0.3 . 1 . . . . . 174 TYR CD1 . 52205 1 1835 . 1 . 1 174 174 TYR CD2 C 13 132.370 0.3 . 1 . . . . . 174 TYR CD2 . 52205 1 1836 . 1 . 1 174 174 TYR N N 15 120.856 0.3 . 1 . . . . . 174 TYR N . 52205 1 1837 . 1 . 1 175 175 GLN H H 1 8.136 0.020 . 1 . . . . . 175 GLN H . 52205 1 1838 . 1 . 1 175 175 GLN HA H 1 4.171 0.020 . 1 . . . . . 175 GLN HA . 52205 1 1839 . 1 . 1 175 175 GLN HB2 H 1 1.744 0.020 . 1 . . . . . 175 GLN HB2 . 52205 1 1840 . 1 . 1 175 175 GLN HB3 H 1 1.744 0.020 . 1 . . . . . 175 GLN HB3 . 52205 1 1841 . 1 . 1 175 175 GLN HG2 H 1 2.315 0.020 . 2 . . . . . 175 GLN HG2 . 52205 1 1842 . 1 . 1 175 175 GLN HG3 H 1 2.141 0.020 . 2 . . . . . 175 GLN HG3 . 52205 1 1843 . 1 . 1 175 175 GLN C C 13 175.932 0.3 . 1 . . . . . 175 GLN C . 52205 1 1844 . 1 . 1 175 175 GLN CA C 13 56.375 0.3 . 1 . . . . . 175 GLN CA . 52205 1 1845 . 1 . 1 175 175 GLN CB C 13 29.061 0.3 . 1 . . . . . 175 GLN CB . 52205 1 1846 . 1 . 1 175 175 GLN CG C 13 33.839 0.3 . 1 . . . . . 175 GLN CG . 52205 1 1847 . 1 . 1 175 175 GLN N N 15 129.727 0.3 . 1 . . . . . 175 GLN N . 52205 1 1848 . 1 . 1 176 176 GLY H H 1 8.730 0.020 . 1 . . . . . 176 GLY H . 52205 1 1849 . 1 . 1 176 176 GLY HA2 H 1 3.828 0.020 . 2 . . . . . 176 GLY HA2 . 52205 1 1850 . 1 . 1 176 176 GLY HA3 H 1 3.768 0.020 . 2 . . . . . 176 GLY HA3 . 52205 1 1851 . 1 . 1 176 176 GLY C C 13 175.495 0.3 . 1 . . . . . 176 GLY C . 52205 1 1852 . 1 . 1 176 176 GLY CA C 13 45.652 0.3 . 1 . . . . . 176 GLY CA . 52205 1 1853 . 1 . 1 176 176 GLY N N 15 112.000 0.3 . 1 . . . . . 176 GLY N . 52205 1 1854 . 1 . 1 177 177 GLY H H 1 8.123 0.020 . 1 . . . . . 177 GLY H . 52205 1 1855 . 1 . 1 177 177 GLY HA2 H 1 3.978 0.020 . 2 . . . . . 177 GLY HA2 . 52205 1 1856 . 1 . 1 177 177 GLY HA3 H 1 3.814 0.020 . 2 . . . . . 177 GLY HA3 . 52205 1 1857 . 1 . 1 177 177 GLY CA C 13 45.965 0.3 . 1 . . . . . 177 GLY CA . 52205 1 1858 . 1 . 1 177 177 GLY N N 15 106.823 0.3 . 1 . . . . . 177 GLY N . 52205 1 1859 . 1 . 1 178 178 GLY H H 1 8.589 0.020 . 1 . . . . . 178 GLY H . 52205 1 1860 . 1 . 1 178 178 GLY CA C 13 44.958 0.3 . 1 . . . . . 178 GLY CA . 52205 1 1861 . 1 . 1 178 178 GLY N N 15 109.234 0.3 . 1 . . . . . 178 GLY N . 52205 1 1862 . 1 . 1 180 180 GLY HA2 H 1 3.880 0.020 . 1 . . . . . 180 GLY HA2 . 52205 1 1863 . 1 . 1 180 180 GLY HA3 H 1 3.880 0.020 . 1 . . . . . 180 GLY HA3 . 52205 1 1864 . 1 . 1 180 180 GLY C C 13 174.984 0.3 . 1 . . . . . 180 GLY C . 52205 1 1865 . 1 . 1 180 180 GLY CA C 13 45.884 0.3 . 1 . . . . . 180 GLY CA . 52205 1 1866 . 1 . 1 181 181 GLY H H 1 8.171 0.020 . 1 . . . . . 181 GLY H . 52205 1 1867 . 1 . 1 181 181 GLY HA2 H 1 3.824 0.020 . 2 . . . . . 181 GLY HA2 . 52205 1 1868 . 1 . 1 181 181 GLY HA3 H 1 3.890 0.020 . 2 . . . . . 181 GLY HA3 . 52205 1 1869 . 1 . 1 181 181 GLY C C 13 173.767 0.3 . 1 . . . . . 181 GLY C . 52205 1 1870 . 1 . 1 181 181 GLY CA C 13 44.991 0.3 . 1 . . . . . 181 GLY CA . 52205 1 1871 . 1 . 1 181 181 GLY N N 15 108.221 0.3 . 1 . . . . . 181 GLY N . 52205 1 1872 . 1 . 1 182 182 ALA H H 1 7.670 0.020 . 1 . . . . . 182 ALA H . 52205 1 1873 . 1 . 1 182 182 ALA HA H 1 4.287 0.020 . 1 . . . . . 182 ALA HA . 52205 1 1874 . 1 . 1 182 182 ALA HB1 H 1 1.282 0.020 . 1 . . . . . 182 ALA HB# . 52205 1 1875 . 1 . 1 182 182 ALA HB2 H 1 1.282 0.020 . 1 . . . . . 182 ALA HB# . 52205 1 1876 . 1 . 1 182 182 ALA HB3 H 1 1.282 0.020 . 1 . . . . . 182 ALA HB# . 52205 1 1877 . 1 . 1 182 182 ALA C C 13 177.029 0.3 . 1 . . . . . 182 ALA C . 52205 1 1878 . 1 . 1 182 182 ALA CA C 13 51.821 0.3 . 1 . . . . . 182 ALA CA . 52205 1 1879 . 1 . 1 182 182 ALA CB C 13 19.885 0.3 . 1 . . . . . 182 ALA CB . 52205 1 1880 . 1 . 1 182 182 ALA N N 15 123.578 0.3 . 1 . . . . . 182 ALA N . 52205 1 1881 . 1 . 1 183 183 ASP H H 1 8.360 0.020 . 1 . . . . . 183 ASP H . 52205 1 1882 . 1 . 1 183 183 ASP HA H 1 4.721 0.020 . 1 . . . . . 183 ASP HA . 52205 1 1883 . 1 . 1 183 183 ASP HB2 H 1 2.523 0.020 . 2 . . . . . 183 ASP HB2 . 52205 1 1884 . 1 . 1 183 183 ASP HB3 H 1 2.466 0.020 . 2 . . . . . 183 ASP HB3 . 52205 1 1885 . 1 . 1 183 183 ASP C C 13 176.236 0.3 . 1 . . . . . 183 ASP C . 52205 1 1886 . 1 . 1 183 183 ASP CA C 13 54.578 0.3 . 1 . . . . . 183 ASP CA . 52205 1 1887 . 1 . 1 183 183 ASP CB C 13 41.145 0.3 . 1 . . . . . 183 ASP CB . 52205 1 1888 . 1 . 1 183 183 ASP N N 15 120.819 0.3 . 1 . . . . . 183 ASP N . 52205 1 1889 . 1 . 1 184 184 THR H H 1 8.082 0.020 . 1 . . . . . 184 THR H . 52205 1 1890 . 1 . 1 184 184 THR HA H 1 4.568 0.020 . 1 . . . . . 184 THR HA . 52205 1 1891 . 1 . 1 184 184 THR HB H 1 4.051 0.020 . 1 . . . . . 184 THR HB . 52205 1 1892 . 1 . 1 184 184 THR HG21 H 1 1.009 0.020 . 1 . . . . . 184 THR QG2 . 52205 1 1893 . 1 . 1 184 184 THR HG22 H 1 1.009 0.020 . 1 . . . . . 184 THR QG2 . 52205 1 1894 . 1 . 1 184 184 THR HG23 H 1 1.009 0.020 . 1 . . . . . 184 THR QG2 . 52205 1 1895 . 1 . 1 184 184 THR C C 13 174.102 0.3 . 1 . . . . . 184 THR C . 52205 1 1896 . 1 . 1 184 184 THR CA C 13 60.120 0.3 . 1 . . . . . 184 THR CA . 52205 1 1897 . 1 . 1 184 184 THR CB C 13 71.029 0.3 . 1 . . . . . 184 THR CB . 52205 1 1898 . 1 . 1 184 184 THR CG2 C 13 21.765 0.3 . 1 . . . . . 184 THR CG2 . 52205 1 1899 . 1 . 1 184 184 THR N N 15 113.213 0.3 . 1 . . . . . 184 THR N . 52205 1 1900 . 1 . 1 185 185 THR H H 1 8.700 0.020 . 1 . . . . . 185 THR H . 52205 1 1901 . 1 . 1 185 185 THR HA H 1 4.839 0.020 . 1 . . . . . 185 THR HA . 52205 1 1902 . 1 . 1 185 185 THR HB H 1 3.976 0.020 . 1 . . . . . 185 THR HB . 52205 1 1903 . 1 . 1 185 185 THR HG21 H 1 1.043 0.020 . 1 . . . . . 185 THR QG2 . 52205 1 1904 . 1 . 1 185 185 THR HG22 H 1 1.043 0.020 . 1 . . . . . 185 THR QG2 . 52205 1 1905 . 1 . 1 185 185 THR HG23 H 1 1.043 0.020 . 1 . . . . . 185 THR QG2 . 52205 1 1906 . 1 . 1 185 185 THR C C 13 175.037 0.3 . 1 . . . . . 185 THR C . 52205 1 1907 . 1 . 1 185 185 THR CA C 13 62.313 0.3 . 1 . . . . . 185 THR CA . 52205 1 1908 . 1 . 1 185 185 THR CB C 13 69.612 0.3 . 1 . . . . . 185 THR CB . 52205 1 1909 . 1 . 1 185 185 THR CG2 C 13 21.762 0.3 . 1 . . . . . 185 THR CG2 . 52205 1 1910 . 1 . 1 185 185 THR N N 15 118.578 0.3 . 1 . . . . . 185 THR N . 52205 1 1911 . 1 . 1 186 186 VAL H H 1 8.518 0.020 . 1 . . . . . 186 VAL H . 52205 1 1912 . 1 . 1 186 186 VAL HA H 1 4.244 0.020 . 1 . . . . . 186 VAL HA . 52205 1 1913 . 1 . 1 186 186 VAL HB H 1 1.955 0.020 . 1 . . . . . 186 VAL HB . 52205 1 1914 . 1 . 1 186 186 VAL HG11 H 1 0.444 0.020 . 1 . . . . . 186 VAL QG1 . 52205 1 1915 . 1 . 1 186 186 VAL HG12 H 1 0.444 0.020 . 1 . . . . . 186 VAL QG1 . 52205 1 1916 . 1 . 1 186 186 VAL HG13 H 1 0.444 0.020 . 1 . . . . . 186 VAL QG1 . 52205 1 1917 . 1 . 1 186 186 VAL HG21 H 1 0.536 0.020 . 1 . . . . . 186 VAL QG2 . 52205 1 1918 . 1 . 1 186 186 VAL HG22 H 1 0.536 0.020 . 1 . . . . . 186 VAL QG2 . 52205 1 1919 . 1 . 1 186 186 VAL HG23 H 1 0.536 0.020 . 1 . . . . . 186 VAL QG2 . 52205 1 1920 . 1 . 1 186 186 VAL C C 13 174.067 0.3 . 1 . . . . . 186 VAL C . 52205 1 1921 . 1 . 1 186 186 VAL CA C 13 60.232 0.3 . 1 . . . . . 186 VAL CA . 52205 1 1922 . 1 . 1 186 186 VAL CB C 13 32.895 0.3 . 1 . . . . . 186 VAL CB . 52205 1 1923 . 1 . 1 186 186 VAL CG1 C 13 18.974 0.3 . 1 . . . . . 186 VAL CG1 . 52205 1 1924 . 1 . 1 186 186 VAL CG2 C 13 22.232 0.3 . 1 . . . . . 186 VAL CG2 . 52205 1 1925 . 1 . 1 186 186 VAL N N 15 114.206 0.3 . 1 . . . . . 186 VAL N . 52205 1 1926 . 1 . 1 187 187 GLY H H 1 6.998 0.020 . 1 . . . . . 187 GLY H . 52205 1 1927 . 1 . 1 187 187 GLY HA2 H 1 3.641 0.020 . 1 . . . . . 187 GLY HA2 . 52205 1 1928 . 1 . 1 187 187 GLY HA3 H 1 3.641 0.020 . 1 . . . . . 187 GLY HA3 . 52205 1 1929 . 1 . 1 187 187 GLY C C 13 171.369 0.3 . 1 . . . . . 187 GLY C . 52205 1 1930 . 1 . 1 187 187 GLY CA C 13 44.884 0.3 . 1 . . . . . 187 GLY CA . 52205 1 1931 . 1 . 1 187 187 GLY N N 15 106.459 0.3 . 1 . . . . . 187 GLY N . 52205 1 1932 . 1 . 1 188 188 GLY H H 1 8.254 0.020 . 1 . . . . . 188 GLY H . 52205 1 1933 . 1 . 1 188 188 GLY HA2 H 1 4.137 0.020 . 2 . . . . . 188 GLY HA2 . 52205 1 1934 . 1 . 1 188 188 GLY HA3 H 1 3.347 0.020 . 2 . . . . . 188 GLY HA3 . 52205 1 1935 . 1 . 1 188 188 GLY C C 13 170.681 0.3 . 1 . . . . . 188 GLY C . 52205 1 1936 . 1 . 1 188 188 GLY CA C 13 46.396 0.3 . 1 . . . . . 188 GLY CA . 52205 1 1937 . 1 . 1 188 188 GLY N N 15 106.827 0.3 . 1 . . . . . 188 GLY N . 52205 1 1938 . 1 . 1 189 189 GLY H H 1 6.468 0.020 . 1 . . . . . 189 GLY H . 52205 1 1939 . 1 . 1 189 189 GLY HA2 H 1 3.765 0.020 . 1 . . . . . 189 GLY HA2 . 52205 1 1940 . 1 . 1 189 189 GLY HA3 H 1 3.765 0.020 . 1 . . . . . 189 GLY HA3 . 52205 1 1941 . 1 . 1 189 189 GLY C C 13 169.923 0.3 . 1 . . . . . 189 GLY C . 52205 1 1942 . 1 . 1 189 189 GLY CA C 13 45.850 0.3 . 1 . . . . . 189 GLY CA . 52205 1 1943 . 1 . 1 189 189 GLY N N 15 104.509 0.3 . 1 . . . . . 189 GLY N . 52205 1 1944 . 1 . 1 190 190 GLN H H 1 8.779 0.020 . 1 . . . . . 190 GLN H . 52205 1 1945 . 1 . 1 190 190 GLN HA H 1 4.939 0.020 . 1 . . . . . 190 GLN HA . 52205 1 1946 . 1 . 1 190 190 GLN HB2 H 1 1.827 0.020 . 2 . . . . . 190 GLN HB2 . 52205 1 1947 . 1 . 1 190 190 GLN HB3 H 1 1.661 0.020 . 2 . . . . . 190 GLN HB3 . 52205 1 1948 . 1 . 1 190 190 GLN HG2 H 1 1.855 0.020 . 1 . . . . . 190 GLN HG2 . 52205 1 1949 . 1 . 1 190 190 GLN HG3 H 1 1.855 0.020 . 1 . . . . . 190 GLN HG3 . 52205 1 1950 . 1 . 1 190 190 GLN HE21 H 1 7.620 0.020 . 1 . . . . . 190 GLN HE21 . 52205 1 1951 . 1 . 1 190 190 GLN HE22 H 1 5.939 0.020 . 1 . . . . . 190 GLN HE22 . 52205 1 1952 . 1 . 1 190 190 GLN C C 13 173.926 0.3 . 1 . . . . . 190 GLN C . 52205 1 1953 . 1 . 1 190 190 GLN CA C 13 54.657 0.3 . 1 . . . . . 190 GLN CA . 52205 1 1954 . 1 . 1 190 190 GLN CB C 13 32.298 0.3 . 1 . . . . . 190 GLN CB . 52205 1 1955 . 1 . 1 190 190 GLN CG C 13 34.493 0.3 . 1 . . . . . 190 GLN CG . 52205 1 1956 . 1 . 1 190 190 GLN N N 15 121.186 0.3 . 1 . . . . . 190 GLN N . 52205 1 1957 . 1 . 1 190 190 GLN NE2 N 15 113.475 0.3 . 1 . . . . . 190 GLN NE2 . 52205 1 1958 . 1 . 1 191 191 VAL H H 1 9.232 0.020 . 1 . . . . . 191 VAL H . 52205 1 1959 . 1 . 1 191 191 VAL HA H 1 4.497 0.020 . 1 . . . . . 191 VAL HA . 52205 1 1960 . 1 . 1 191 191 VAL HB H 1 1.705 0.020 . 1 . . . . . 191 VAL HB . 52205 1 1961 . 1 . 1 191 191 VAL HG11 H 1 1.022 0.020 . 1 . . . . . 191 VAL QG1 . 52205 1 1962 . 1 . 1 191 191 VAL HG12 H 1 1.022 0.020 . 1 . . . . . 191 VAL QG1 . 52205 1 1963 . 1 . 1 191 191 VAL HG13 H 1 1.022 0.020 . 1 . . . . . 191 VAL QG1 . 52205 1 1964 . 1 . 1 191 191 VAL HG21 H 1 -0.126 0.020 . 1 . . . . . 191 VAL QG2 . 52205 1 1965 . 1 . 1 191 191 VAL HG22 H 1 -0.126 0.020 . 1 . . . . . 191 VAL QG2 . 52205 1 1966 . 1 . 1 191 191 VAL HG23 H 1 -0.126 0.020 . 1 . . . . . 191 VAL QG2 . 52205 1 1967 . 1 . 1 191 191 VAL C C 13 172.921 0.3 . 1 . . . . . 191 VAL C . 52205 1 1968 . 1 . 1 191 191 VAL CA C 13 60.826 0.3 . 1 . . . . . 191 VAL CA . 52205 1 1969 . 1 . 1 191 191 VAL CB C 13 32.831 0.3 . 1 . . . . . 191 VAL CB . 52205 1 1970 . 1 . 1 191 191 VAL CG1 C 13 23.488 0.3 . 1 . . . . . 191 VAL CG1 . 52205 1 1971 . 1 . 1 191 191 VAL CG2 C 13 23.263 0.3 . 1 . . . . . 191 VAL CG2 . 52205 1 1972 . 1 . 1 191 191 VAL N N 15 126.527 0.3 . 1 . . . . . 191 VAL N . 52205 1 1973 . 1 . 1 192 192 ASN H H 1 8.657 0.020 . 1 . . . . . 192 ASN H . 52205 1 1974 . 1 . 1 192 192 ASN HA H 1 4.727 0.020 . 1 . . . . . 192 ASN HA . 52205 1 1975 . 1 . 1 192 192 ASN HB2 H 1 3.005 0.020 . 2 . . . . . 192 ASN HB2 . 52205 1 1976 . 1 . 1 192 192 ASN HB3 H 1 2.356 0.020 . 2 . . . . . 192 ASN HB3 . 52205 1 1977 . 1 . 1 192 192 ASN HD21 H 1 6.800 0.020 . 1 . . . . . 192 ASN HD21 . 52205 1 1978 . 1 . 1 192 192 ASN HD22 H 1 6.929 0.020 . 1 . . . . . 192 ASN HD22 . 52205 1 1979 . 1 . 1 192 192 ASN C C 13 172.409 0.3 . 1 . . . . . 192 ASN C . 52205 1 1980 . 1 . 1 192 192 ASN CA C 13 51.867 0.3 . 1 . . . . . 192 ASN CA . 52205 1 1981 . 1 . 1 192 192 ASN CB C 13 40.240 0.3 . 1 . . . . . 192 ASN CB . 52205 1 1982 . 1 . 1 192 192 ASN N N 15 125.000 0.3 . 1 . . . . . 192 ASN N . 52205 1 1983 . 1 . 1 192 192 ASN ND2 N 15 113.738 0.3 . 1 . . . . . 192 ASN ND2 . 52205 1 1984 . 1 . 1 193 193 PHE H H 1 8.578 0.020 . 1 . . . . . 193 PHE H . 52205 1 1985 . 1 . 1 193 193 PHE HA H 1 5.169 0.020 . 1 . . . . . 193 PHE HA . 52205 1 1986 . 1 . 1 193 193 PHE HB2 H 1 2.442 0.020 . 2 . . . . . 193 PHE HB2 . 52205 1 1987 . 1 . 1 193 193 PHE HB3 H 1 1.964 0.020 . 2 . . . . . 193 PHE HB3 . 52205 1 1988 . 1 . 1 193 193 PHE HD1 H 1 6.416 0.020 . 1 . . . . . 193 PHE HD1 . 52205 1 1989 . 1 . 1 193 193 PHE HD2 H 1 6.416 0.020 . 1 . . . . . 193 PHE HD2 . 52205 1 1990 . 1 . 1 193 193 PHE HE1 H 1 6.532 0.020 . 1 . . . . . 193 PHE HE1 . 52205 1 1991 . 1 . 1 193 193 PHE HE2 H 1 6.532 0.020 . 1 . . . . . 193 PHE HE2 . 52205 1 1992 . 1 . 1 193 193 PHE C C 13 175.742 0.3 . 1 . . . . . 193 PHE C . 52205 1 1993 . 1 . 1 193 193 PHE CA C 13 55.867 0.3 . 1 . . . . . 193 PHE CA . 52205 1 1994 . 1 . 1 193 193 PHE CB C 13 43.468 0.3 . 1 . . . . . 193 PHE CB . 52205 1 1995 . 1 . 1 193 193 PHE CD1 C 13 130.860 0.3 . 1 . . . . . 193 PHE CD1 . 52205 1 1996 . 1 . 1 193 193 PHE CD2 C 13 130.860 0.3 . 1 . . . . . 193 PHE CD2 . 52205 1 1997 . 1 . 1 193 193 PHE CE1 C 13 130.86 0.3 . 1 . . . . . 193 PHE CE1 . 52205 1 1998 . 1 . 1 193 193 PHE CE2 C 13 130.86 0.3 . 1 . . . . . 193 PHE CE2 . 52205 1 1999 . 1 . 1 193 193 PHE N N 15 120.248 0.3 . 1 . . . . . 193 PHE N . 52205 1 2000 . 1 . 1 194 194 PHE H H 1 8.252 0.020 . 1 . . . . . 194 PHE H . 52205 1 2001 . 1 . 1 194 194 PHE HA H 1 5.161 0.020 . 1 . . . . . 194 PHE HA . 52205 1 2002 . 1 . 1 194 194 PHE HB2 H 1 3.187 0.020 . 2 . . . . . 194 PHE HB2 . 52205 1 2003 . 1 . 1 194 194 PHE HB3 H 1 2.507 0.020 . 2 . . . . . 194 PHE HB3 . 52205 1 2004 . 1 . 1 194 194 PHE HD1 H 1 6.721 0.020 . 1 . . . . . 194 PHE HD1 . 52205 1 2005 . 1 . 1 194 194 PHE HD2 H 1 6.721 0.020 . 1 . . . . . 194 PHE HD2 . 52205 1 2006 . 1 . 1 194 194 PHE HE1 H 1 7.032 0.020 . 1 . . . . . 194 PHE HE1 . 52205 1 2007 . 1 . 1 194 194 PHE HE2 H 1 7.032 0.020 . 1 . . . . . 194 PHE HE2 . 52205 1 2008 . 1 . 1 194 194 PHE CA C 13 56.976 0.3 . 1 . . . . . 194 PHE CA . 52205 1 2009 . 1 . 1 194 194 PHE CB C 13 41.461 0.3 . 1 . . . . . 194 PHE CB . 52205 1 2010 . 1 . 1 194 194 PHE CD1 C 13 132.810 0.3 . 1 . . . . . 194 PHE CD1 . 52205 1 2011 . 1 . 1 194 194 PHE CD2 C 13 132.810 0.3 . 1 . . . . . 194 PHE CD2 . 52205 1 2012 . 1 . 1 194 194 PHE CE1 C 13 133.300 0.3 . 1 . . . . . 194 PHE CE1 . 52205 1 2013 . 1 . 1 194 194 PHE CE2 C 13 133.300 0.3 . 1 . . . . . 194 PHE CE2 . 52205 1 2014 . 1 . 1 194 194 PHE N N 15 120.847 0.3 . 1 . . . . . 194 PHE N . 52205 1 2015 . 1 . 1 195 195 GLY H H 1 9.480 0.020 . 1 . . . . . 195 GLY H . 52205 1 2016 . 1 . 1 195 195 GLY HA2 H 1 4.885 0.020 . 1 . . . . . 195 GLY HA2 . 52205 1 2017 . 1 . 1 195 195 GLY HA3 H 1 4.885 0.020 . 1 . . . . . 195 GLY HA3 . 52205 1 2018 . 1 . 1 195 195 GLY C C 13 174.226 0.3 . 1 . . . . . 195 GLY C . 52205 1 2019 . 1 . 1 195 195 GLY CA C 13 44.363 0.3 . 1 . . . . . 195 GLY CA . 52205 1 2020 . 1 . 1 195 195 GLY N N 15 114.572 0.3 . 1 . . . . . 195 GLY N . 52205 1 2021 . 1 . 1 196 196 LYS H H 1 9.026 0.020 . 1 . . . . . 196 LYS H . 52205 1 2022 . 1 . 1 196 196 LYS HA H 1 4.775 0.020 . 1 . . . . . 196 LYS HA . 52205 1 2023 . 1 . 1 196 196 LYS HB2 H 1 1.797 0.020 . 2 . . . . . 196 LYS HB2 . 52205 1 2024 . 1 . 1 196 196 LYS HB3 H 1 1.651 0.020 . 2 . . . . . 196 LYS HB3 . 52205 1 2025 . 1 . 1 196 196 LYS HG2 H 1 1.206 0.020 . 2 . . . . . 196 LYS HG2 . 52205 1 2026 . 1 . 1 196 196 LYS HG3 H 1 1.112 0.020 . 2 . . . . . 196 LYS HG3 . 52205 1 2027 . 1 . 1 196 196 LYS HD2 H 1 1.550 0.020 . 1 . . . . . 196 LYS HD2 . 52205 1 2028 . 1 . 1 196 196 LYS HD3 H 1 1.550 0.020 . 1 . . . . . 196 LYS HD3 . 52205 1 2029 . 1 . 1 196 196 LYS C C 13 172.251 0.3 . 1 . . . . . 196 LYS C . 52205 1 2030 . 1 . 1 196 196 LYS CA C 13 57.553 0.3 . 1 . . . . . 196 LYS CA . 52205 1 2031 . 1 . 1 196 196 LYS CB C 13 36.232 0.3 . 1 . . . . . 196 LYS CB . 52205 1 2032 . 1 . 1 196 196 LYS CG C 13 25.039 0.3 . 1 . . . . . 196 LYS CG . 52205 1 2033 . 1 . 1 196 196 LYS CD C 13 29.624 0.3 . 1 . . . . . 196 LYS CD . 52205 1 2034 . 1 . 1 196 196 LYS N N 15 122.539 0.3 . 1 . . . . . 196 LYS N . 52205 1 2035 . 1 . 1 197 197 VAL H H 1 8.799 0.020 . 1 . . . . . 197 VAL H . 52205 1 2036 . 1 . 1 197 197 VAL HA H 1 5.150 0.020 . 1 . . . . . 197 VAL HA . 52205 1 2037 . 1 . 1 197 197 VAL HB H 1 2.034 0.020 . 1 . . . . . 197 VAL HB . 52205 1 2038 . 1 . 1 197 197 VAL HG11 H 1 0.551 0.020 . 1 . . . . . 197 VAL QG1 . 52205 1 2039 . 1 . 1 197 197 VAL HG12 H 1 0.551 0.020 . 1 . . . . . 197 VAL QG1 . 52205 1 2040 . 1 . 1 197 197 VAL HG13 H 1 0.551 0.020 . 1 . . . . . 197 VAL QG1 . 52205 1 2041 . 1 . 1 197 197 VAL HG21 H 1 0.615 0.020 . 1 . . . . . 197 VAL QG2 . 52205 1 2042 . 1 . 1 197 197 VAL HG22 H 1 0.615 0.020 . 1 . . . . . 197 VAL QG2 . 52205 1 2043 . 1 . 1 197 197 VAL HG23 H 1 0.615 0.020 . 1 . . . . . 197 VAL QG2 . 52205 1 2044 . 1 . 1 197 197 VAL C C 13 177.640 0.3 . 1 . . . . . 197 VAL C . 52205 1 2045 . 1 . 1 197 197 VAL CA C 13 59.676 0.3 . 1 . . . . . 197 VAL CA . 52205 1 2046 . 1 . 1 197 197 VAL CB C 13 32.754 0.3 . 1 . . . . . 197 VAL CB . 52205 1 2047 . 1 . 1 197 197 VAL CG1 C 13 21.124 0.3 . 1 . . . . . 197 VAL CG1 . 52205 1 2048 . 1 . 1 197 197 VAL CG2 C 13 21.570 0.3 . 1 . . . . . 197 VAL CG2 . 52205 1 2049 . 1 . 1 197 197 VAL N N 15 124.342 0.3 . 1 . . . . . 197 VAL N . 52205 1 2050 . 1 . 1 198 198 THR H H 1 9.011 0.020 . 1 . . . . . 198 THR H . 52205 1 2051 . 1 . 1 198 198 THR HA H 1 4.684 0.020 . 1 . . . . . 198 THR HA . 52205 1 2052 . 1 . 1 198 198 THR HB H 1 4.171 0.020 . 1 . . . . . 198 THR HB . 52205 1 2053 . 1 . 1 198 198 THR HG21 H 1 0.950 0.020 . 1 . . . . . 198 THR QG2 . 52205 1 2054 . 1 . 1 198 198 THR HG22 H 1 0.950 0.020 . 1 . . . . . 198 THR QG2 . 52205 1 2055 . 1 . 1 198 198 THR HG23 H 1 0.950 0.020 . 1 . . . . . 198 THR QG2 . 52205 1 2056 . 1 . 1 198 198 THR C C 13 172.780 0.3 . 1 . . . . . 198 THR C . 52205 1 2057 . 1 . 1 198 198 THR CA C 13 59.603 0.3 . 1 . . . . . 198 THR CA . 52205 1 2058 . 1 . 1 198 198 THR CB C 13 70.935 0.3 . 1 . . . . . 198 THR CB . 52205 1 2059 . 1 . 1 198 198 THR CG2 C 13 21.683 0.3 . 1 . . . . . 198 THR CG2 . 52205 1 2060 . 1 . 1 198 198 THR N N 15 120.488 0.3 . 1 . . . . . 198 THR N . 52205 1 2061 . 1 . 1 199 199 ASP H H 1 8.507 0.020 . 1 . . . . . 199 ASP H . 52205 1 2062 . 1 . 1 199 199 ASP HA H 1 4.849 0.020 . 1 . . . . . 199 ASP HA . 52205 1 2063 . 1 . 1 199 199 ASP HB2 H 1 2.620 0.020 . 2 . . . . . 199 ASP HB2 . 52205 1 2064 . 1 . 1 199 199 ASP HB3 H 1 2.509 0.020 . 2 . . . . . 199 ASP HB3 . 52205 1 2065 . 1 . 1 199 199 ASP C C 13 175.795 0.3 . 1 . . . . . 199 ASP C . 52205 1 2066 . 1 . 1 199 199 ASP CA C 13 53.784 0.3 . 1 . . . . . 199 ASP CA . 52205 1 2067 . 1 . 1 199 199 ASP CB C 13 42.460 0.3 . 1 . . . . . 199 ASP CB . 52205 1 2068 . 1 . 1 199 199 ASP N N 15 118.755 0.3 . 1 . . . . . 199 ASP N . 52205 1 2069 . 1 . 1 200 200 VAL H H 1 8.005 0.020 . 1 . . . . . 200 VAL H . 52205 1 2070 . 1 . 1 200 200 VAL HA H 1 4.171 0.020 . 1 . . . . . 200 VAL HA . 52205 1 2071 . 1 . 1 200 200 VAL HB H 1 2.070 0.020 . 1 . . . . . 200 VAL HB . 52205 1 2072 . 1 . 1 200 200 VAL HG11 H 1 1.054 0.020 . 1 . . . . . 200 VAL QG1 . 52205 1 2073 . 1 . 1 200 200 VAL HG12 H 1 1.054 0.020 . 1 . . . . . 200 VAL QG1 . 52205 1 2074 . 1 . 1 200 200 VAL HG13 H 1 1.054 0.020 . 1 . . . . . 200 VAL QG1 . 52205 1 2075 . 1 . 1 200 200 VAL HG21 H 1 0.793 0.020 . 1 . . . . . 200 VAL QG2 . 52205 1 2076 . 1 . 1 200 200 VAL HG22 H 1 0.793 0.020 . 1 . . . . . 200 VAL QG2 . 52205 1 2077 . 1 . 1 200 200 VAL HG23 H 1 0.793 0.020 . 1 . . . . . 200 VAL QG2 . 52205 1 2078 . 1 . 1 200 200 VAL C C 13 175.248 0.3 . 1 . . . . . 200 VAL C . 52205 1 2079 . 1 . 1 200 200 VAL CA C 13 62.082 0.3 . 1 . . . . . 200 VAL CA . 52205 1 2080 . 1 . 1 200 200 VAL CB C 13 33.408 0.3 . 1 . . . . . 200 VAL CB . 52205 1 2081 . 1 . 1 200 200 VAL CG1 C 13 23.152 0.3 . 1 . . . . . 200 VAL CG1 . 52205 1 2082 . 1 . 1 200 200 VAL CG2 C 13 21.701 0.3 . 1 . . . . . 200 VAL CG2 . 52205 1 2083 . 1 . 1 200 200 VAL N N 15 118.742 0.3 . 1 . . . . . 200 VAL N . 52205 1 2084 . 1 . 1 201 201 SER H H 1 7.937 0.020 . 1 . . . . . 201 SER H . 52205 1 2085 . 1 . 1 201 201 SER HA H 1 4.155 0.020 . 1 . . . . . 201 SER HA . 52205 1 2086 . 1 . 1 201 201 SER HB2 H 1 3.731 0.020 . 1 . . . . . 201 SER HB2 . 52205 1 2087 . 1 . 1 201 201 SER HB3 H 1 3.731 0.020 . 1 . . . . . 201 SER HB3 . 52205 1 2088 . 1 . 1 201 201 SER CA C 13 59.918 0.3 . 1 . . . . . 201 SER CA . 52205 1 2089 . 1 . 1 201 201 SER CB C 13 64.709 0.3 . 1 . . . . . 201 SER CB . 52205 1 2090 . 1 . 1 201 201 SER N N 15 124.889 0.3 . 1 . . . . . 201 SER N . 52205 1 stop_ save_