data_53128 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53128 _Entry.Title ; Backbone 1H, 15N, 13C Resonance Assignment of p47 (101-266) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-05-07 _Entry.Accession_date 2025-05-07 _Entry.Last_release_date 2025-05-07 _Entry.Original_release_date 2025-05-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Rajivan Raseekan . . . 0009-0007-6759-2572 53128 2 Megan Black . K. . 0000-0001-5006-5337 53128 3 Rui Huang . . . 0000-0002-4064-6397 53128 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Department of Chemistry; University of Guelph' . 53128 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53128 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 434 53128 '15N chemical shifts' 142 53128 '1H chemical shifts' 142 53128 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 . . 2025-11-12 . original BMRB . 53128 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53127 'Backbone 1H, 15N, 13C Resonance Assignment of p47' 53128 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53128 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 41188554 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N backbone resonance assignments of full-length and a SIM-SEP-containing fragment (101-266) of p47, a p97 adaptor protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 20 _Citation.Journal_issue 1 _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 1 _Citation.Page_last 1 _Citation.Year 2025 _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 Rajivan Raseekan . . . . 53128 1 2 Megan Black . . . . 53128 1 3 Rui Huang . . . . 53128 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53128 _Assembly.ID 1 _Assembly.Name p47 _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 18147 _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 p47 1 $entity_1 . . yes native no no . . . 53128 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53128 _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 ; GRSGQQIVGPPRKKSPNELV DDLFKGAKEHGAVAVERVTK SPGETSKPRPFAGGGYRLGA APEEESAYVAGERRRHSGQD VHVVLKLWKTGFSLDNGDLR SYQDPSNAQFLESIRRGEVP AELRRLAHGGQVNLDMEDHR DEDFVKPKGAFKAFTGEGQK LGSTAPQ ; _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 167 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 101-266 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; p97 adaptor protein; post-mitotic Golgi reassembly; regulation of ER morphological changes during cell cycle; regulation of stimulation-induced IKK activation ; 53128 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 1 100 GLY . 53128 1 2 101 ARG . 53128 1 3 102 SER . 53128 1 4 103 GLY . 53128 1 5 104 GLN . 53128 1 6 105 GLN . 53128 1 7 106 ILE . 53128 1 8 107 VAL . 53128 1 9 108 GLY . 53128 1 10 109 PRO . 53128 1 11 110 PRO . 53128 1 12 111 ARG . 53128 1 13 112 LYS . 53128 1 14 113 LYS . 53128 1 15 114 SER . 53128 1 16 115 PRO . 53128 1 17 116 ASN . 53128 1 18 117 GLU . 53128 1 19 118 LEU . 53128 1 20 119 VAL . 53128 1 21 120 ASP . 53128 1 22 121 ASP . 53128 1 23 122 LEU . 53128 1 24 123 PHE . 53128 1 25 124 LYS . 53128 1 26 125 GLY . 53128 1 27 126 ALA . 53128 1 28 127 LYS . 53128 1 29 128 GLU . 53128 1 30 129 HIS . 53128 1 31 130 GLY . 53128 1 32 131 ALA . 53128 1 33 132 VAL . 53128 1 34 133 ALA . 53128 1 35 134 VAL . 53128 1 36 135 GLU . 53128 1 37 136 ARG . 53128 1 38 137 VAL . 53128 1 39 138 THR . 53128 1 40 139 LYS . 53128 1 41 140 SER . 53128 1 42 141 PRO . 53128 1 43 142 GLY . 53128 1 44 143 GLU . 53128 1 45 144 THR . 53128 1 46 145 SER . 53128 1 47 146 LYS . 53128 1 48 147 PRO . 53128 1 49 148 ARG . 53128 1 50 149 PRO . 53128 1 51 150 PHE . 53128 1 52 151 ALA . 53128 1 53 152 GLY . 53128 1 54 153 GLY . 53128 1 55 154 GLY . 53128 1 56 155 TYR . 53128 1 57 156 ARG . 53128 1 58 157 LEU . 53128 1 59 158 GLY . 53128 1 60 159 ALA . 53128 1 61 160 ALA . 53128 1 62 161 PRO . 53128 1 63 162 GLU . 53128 1 64 163 GLU . 53128 1 65 164 GLU . 53128 1 66 165 SER . 53128 1 67 166 ALA . 53128 1 68 167 TYR . 53128 1 69 168 VAL . 53128 1 70 169 ALA . 53128 1 71 170 GLY . 53128 1 72 171 GLU . 53128 1 73 172 ARG . 53128 1 74 173 ARG . 53128 1 75 174 ARG . 53128 1 76 175 HIS . 53128 1 77 176 SER . 53128 1 78 177 GLY . 53128 1 79 178 GLN . 53128 1 80 179 ASP . 53128 1 81 180 VAL . 53128 1 82 181 HIS . 53128 1 83 182 VAL . 53128 1 84 183 VAL . 53128 1 85 184 LEU . 53128 1 86 185 LYS . 53128 1 87 186 LEU . 53128 1 88 187 TRP . 53128 1 89 188 LYS . 53128 1 90 189 THR . 53128 1 91 190 GLY . 53128 1 92 191 PHE . 53128 1 93 192 SER . 53128 1 94 193 LEU . 53128 1 95 194 ASP . 53128 1 96 195 ASN . 53128 1 97 196 GLY . 53128 1 98 197 ASP . 53128 1 99 198 LEU . 53128 1 100 199 ARG . 53128 1 101 200 SER . 53128 1 102 201 TYR . 53128 1 103 202 GLN . 53128 1 104 203 ASP . 53128 1 105 204 PRO . 53128 1 106 205 SER . 53128 1 107 206 ASN . 53128 1 108 207 ALA . 53128 1 109 208 GLN . 53128 1 110 209 PHE . 53128 1 111 210 LEU . 53128 1 112 211 GLU . 53128 1 113 212 SER . 53128 1 114 213 ILE . 53128 1 115 214 ARG . 53128 1 116 215 ARG . 53128 1 117 216 GLY . 53128 1 118 217 GLU . 53128 1 119 218 VAL . 53128 1 120 219 PRO . 53128 1 121 220 ALA . 53128 1 122 221 GLU . 53128 1 123 222 LEU . 53128 1 124 223 ARG . 53128 1 125 224 ARG . 53128 1 126 225 LEU . 53128 1 127 226 ALA . 53128 1 128 227 HIS . 53128 1 129 228 GLY . 53128 1 130 229 GLY . 53128 1 131 230 GLN . 53128 1 132 231 VAL . 53128 1 133 232 ASN . 53128 1 134 233 LEU . 53128 1 135 234 ASP . 53128 1 136 235 MET . 53128 1 137 236 GLU . 53128 1 138 237 ASP . 53128 1 139 238 HIS . 53128 1 140 239 ARG . 53128 1 141 240 ASP . 53128 1 142 241 GLU . 53128 1 143 242 ASP . 53128 1 144 243 PHE . 53128 1 145 244 VAL . 53128 1 146 245 LYS . 53128 1 147 246 PRO . 53128 1 148 247 LYS . 53128 1 149 248 GLY . 53128 1 150 249 ALA . 53128 1 151 250 PHE . 53128 1 152 251 LYS . 53128 1 153 252 ALA . 53128 1 154 253 PHE . 53128 1 155 254 THR . 53128 1 156 255 GLY . 53128 1 157 256 GLU . 53128 1 158 257 GLY . 53128 1 159 258 GLN . 53128 1 160 259 LYS . 53128 1 161 260 LEU . 53128 1 162 261 GLY . 53128 1 163 262 SER . 53128 1 164 263 THR . 53128 1 165 264 ALA . 53128 1 166 265 PRO . 53128 1 167 266 GLN . 53128 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 53128 1 . ARG 2 2 53128 1 . SER 3 3 53128 1 . GLY 4 4 53128 1 . GLN 5 5 53128 1 . GLN 6 6 53128 1 . ILE 7 7 53128 1 . VAL 8 8 53128 1 . GLY 9 9 53128 1 . PRO 10 10 53128 1 . PRO 11 11 53128 1 . ARG 12 12 53128 1 . LYS 13 13 53128 1 . LYS 14 14 53128 1 . SER 15 15 53128 1 . PRO 16 16 53128 1 . ASN 17 17 53128 1 . GLU 18 18 53128 1 . LEU 19 19 53128 1 . VAL 20 20 53128 1 . ASP 21 21 53128 1 . ASP 22 22 53128 1 . LEU 23 23 53128 1 . PHE 24 24 53128 1 . LYS 25 25 53128 1 . GLY 26 26 53128 1 . ALA 27 27 53128 1 . LYS 28 28 53128 1 . GLU 29 29 53128 1 . HIS 30 30 53128 1 . GLY 31 31 53128 1 . ALA 32 32 53128 1 . VAL 33 33 53128 1 . ALA 34 34 53128 1 . VAL 35 35 53128 1 . GLU 36 36 53128 1 . ARG 37 37 53128 1 . VAL 38 38 53128 1 . THR 39 39 53128 1 . LYS 40 40 53128 1 . SER 41 41 53128 1 . PRO 42 42 53128 1 . GLY 43 43 53128 1 . GLU 44 44 53128 1 . THR 45 45 53128 1 . SER 46 46 53128 1 . LYS 47 47 53128 1 . PRO 48 48 53128 1 . ARG 49 49 53128 1 . PRO 50 50 53128 1 . PHE 51 51 53128 1 . ALA 52 52 53128 1 . GLY 53 53 53128 1 . GLY 54 54 53128 1 . GLY 55 55 53128 1 . TYR 56 56 53128 1 . ARG 57 57 53128 1 . LEU 58 58 53128 1 . GLY 59 59 53128 1 . ALA 60 60 53128 1 . ALA 61 61 53128 1 . PRO 62 62 53128 1 . GLU 63 63 53128 1 . GLU 64 64 53128 1 . GLU 65 65 53128 1 . SER 66 66 53128 1 . ALA 67 67 53128 1 . TYR 68 68 53128 1 . VAL 69 69 53128 1 . ALA 70 70 53128 1 . GLY 71 71 53128 1 . GLU 72 72 53128 1 . ARG 73 73 53128 1 . ARG 74 74 53128 1 . ARG 75 75 53128 1 . HIS 76 76 53128 1 . SER 77 77 53128 1 . GLY 78 78 53128 1 . GLN 79 79 53128 1 . ASP 80 80 53128 1 . VAL 81 81 53128 1 . HIS 82 82 53128 1 . VAL 83 83 53128 1 . VAL 84 84 53128 1 . LEU 85 85 53128 1 . LYS 86 86 53128 1 . LEU 87 87 53128 1 . TRP 88 88 53128 1 . LYS 89 89 53128 1 . THR 90 90 53128 1 . GLY 91 91 53128 1 . PHE 92 92 53128 1 . SER 93 93 53128 1 . LEU 94 94 53128 1 . ASP 95 95 53128 1 . ASN 96 96 53128 1 . GLY 97 97 53128 1 . ASP 98 98 53128 1 . LEU 99 99 53128 1 . ARG 100 100 53128 1 . SER 101 101 53128 1 . TYR 102 102 53128 1 . GLN 103 103 53128 1 . ASP 104 104 53128 1 . PRO 105 105 53128 1 . SER 106 106 53128 1 . ASN 107 107 53128 1 . ALA 108 108 53128 1 . GLN 109 109 53128 1 . PHE 110 110 53128 1 . LEU 111 111 53128 1 . GLU 112 112 53128 1 . SER 113 113 53128 1 . ILE 114 114 53128 1 . ARG 115 115 53128 1 . ARG 116 116 53128 1 . GLY 117 117 53128 1 . GLU 118 118 53128 1 . VAL 119 119 53128 1 . PRO 120 120 53128 1 . ALA 121 121 53128 1 . GLU 122 122 53128 1 . LEU 123 123 53128 1 . ARG 124 124 53128 1 . ARG 125 125 53128 1 . LEU 126 126 53128 1 . ALA 127 127 53128 1 . HIS 128 128 53128 1 . GLY 129 129 53128 1 . GLY 130 130 53128 1 . GLN 131 131 53128 1 . VAL 132 132 53128 1 . ASN 133 133 53128 1 . LEU 134 134 53128 1 . ASP 135 135 53128 1 . MET 136 136 53128 1 . GLU 137 137 53128 1 . ASP 138 138 53128 1 . HIS 139 139 53128 1 . ARG 140 140 53128 1 . ASP 141 141 53128 1 . GLU 142 142 53128 1 . ASP 143 143 53128 1 . PHE 144 144 53128 1 . VAL 145 145 53128 1 . LYS 146 146 53128 1 . PRO 147 147 53128 1 . LYS 148 148 53128 1 . GLY 149 149 53128 1 . ALA 150 150 53128 1 . PHE 151 151 53128 1 . LYS 152 152 53128 1 . ALA 153 153 53128 1 . PHE 154 154 53128 1 . THR 155 155 53128 1 . GLY 156 156 53128 1 . GLU 157 157 53128 1 . GLY 158 158 53128 1 . GLN 159 159 53128 1 . LYS 160 160 53128 1 . LEU 161 161 53128 1 . GLY 162 162 53128 1 . SER 163 163 53128 1 . THR 164 164 53128 1 . ALA 165 165 53128 1 . PRO 166 166 53128 1 . GLN 167 167 53128 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 53128 _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 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . Nsfl1c . 53128 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 53128 _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 . . pET28 . . . 53128 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53128 _Sample.ID 1 _Sample.Name 'p47 (101-266)' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'p47 (101-266)' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 480 . . uM . . . . 53128 1 2 Bis-tris 'natural abundance' . . . . . . 25 . . mM . . . . 53128 1 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 53128 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 53128 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 53128 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Sample Conditions P47 (101-266)' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.6 . pH 53128 1 pressure 1 . atm 53128 1 temperature 298.15 . K 53128 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53128 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 3.2.12 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53128 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53128 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53128 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53128 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III 14.1 T system' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 53128 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53128 1 2 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53128 1 3 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53128 1 4 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53128 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 53128 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'CSR P47 (101-266)' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 53128 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 53128 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 53128 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 53128 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name p47(101-266) _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 53128 1 2 '3D HNCACB' . . . 53128 1 3 '3D HNCO' . . . 53128 1 4 '3D HN(CA)CO' . . . 53128 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 . . 53128 1 2 $software_2 . . 53128 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 4 4 GLY C C 13 174.0815476 . . . . . . . . 103 GLY C . 53128 1 2 . 1 . 1 4 4 GLY CA C 13 44.78061503 . . . . . . . . 103 GLY CA . 53128 1 3 . 1 . 1 5 5 GLN H H 1 8.151011273 0.004476116811 . . . . . . . 104 GLN H . 53128 1 4 . 1 . 1 5 5 GLN C C 13 175.8358122 0.008359211887 . . . . . . . 104 GLN C . 53128 1 5 . 1 . 1 5 5 GLN CA C 13 55.35160345 0.08036541086 . . . . . . . 104 GLN CA . 53128 1 6 . 1 . 1 5 5 GLN CB C 13 28.67298687 0.01353292277 . . . . . . . 104 GLN CB . 53128 1 7 . 1 . 1 5 5 GLN N N 15 119.5904947 0.02547186412 . . . . . . . 104 GLN N . 53128 1 8 . 1 . 1 6 6 GLN H H 1 8.401601833 0.004829828897 . . . . . . . 105 GLN H . 53128 1 9 . 1 . 1 6 6 GLN C C 13 175.6340074 0.007103170408 . . . . . . . 105 GLN C . 53128 1 10 . 1 . 1 6 6 GLN CA C 13 55.24486424 0.002376135013 . . . . . . . 105 GLN CA . 53128 1 11 . 1 . 1 6 6 GLN CB C 13 28.51606525 0.026729415 . . . . . . . 105 GLN CB . 53128 1 12 . 1 . 1 6 6 GLN N N 15 121.8755983 0.01967677144 . . . . . . . 105 GLN N . 53128 1 13 . 1 . 1 7 7 ILE H H 1 8.206689482 0.005236410443 . . . . . . . 106 ILE H . 53128 1 14 . 1 . 1 7 7 ILE C C 13 176.0857081 0.007565050353 . . . . . . . 106 ILE C . 53128 1 15 . 1 . 1 7 7 ILE CA C 13 60.50517075 0.0006132200012 . . . . . . . 106 ILE CA . 53128 1 16 . 1 . 1 7 7 ILE CB C 13 37.50223842 0.009651950007 . . . . . . . 106 ILE CB . 53128 1 17 . 1 . 1 7 7 ILE N N 15 122.9502876 0.01128619092 . . . . . . . 106 ILE N . 53128 1 18 . 1 . 1 8 8 VAL H H 1 8.200852082 0.001538201296 . . . . . . . 107 VAL H . 53128 1 19 . 1 . 1 8 8 VAL C C 13 176.0857081 0.007565050353 . . . . . . . 107 VAL C . 53128 1 20 . 1 . 1 8 8 VAL CA C 13 61.56196613 0.0002794461032 . . . . . . . 107 VAL CA . 53128 1 21 . 1 . 1 8 8 VAL CB C 13 31.85718896 0.006329770003 . . . . . . . 107 VAL CB . 53128 1 22 . 1 . 1 8 8 VAL N N 15 124.8716022 0.01659113088 . . . . . . . 107 VAL N . 53128 1 23 . 1 . 1 9 9 GLY H H 1 8.219384289 0.002427436207 . . . . . . . 108 GLY H . 53128 1 24 . 1 . 1 9 9 GLY C C 13 176.0932731 . . . . . . . . 108 GLY C . 53128 1 25 . 1 . 1 9 9 GLY CA C 13 43.78207502 . . . . . . . . 108 GLY CA . 53128 1 26 . 1 . 1 9 9 GLY N N 15 112.7494532 0.04331021249 . . . . . . . 108 GLY N . 53128 1 27 . 1 . 1 11 11 PRO C C 13 176.8139618 0.02150134995 . . . . . . . 110 PRO C . 53128 1 28 . 1 . 1 11 11 PRO CA C 13 62.34558514 . . . . . . . . 110 PRO CA . 53128 1 29 . 1 . 1 11 11 PRO CB C 13 30.97519951 . . . . . . . . 110 PRO CB . 53128 1 30 . 1 . 1 12 12 ARG H H 1 8.285334414 0.01724129045 . . . . . . . 111 ARG H . 53128 1 31 . 1 . 1 12 12 ARG C C 13 176.1924679 . . . . . . . . 111 ARG C . 53128 1 32 . 1 . 1 12 12 ARG CA C 13 55.38517015 0.137052835 . . . . . . . 111 ARG CA . 53128 1 33 . 1 . 1 12 12 ARG CB C 13 29.97166612 0.012729165 . . . . . . . 111 ARG CB . 53128 1 34 . 1 . 1 12 12 ARG N N 15 121.3814181 0.03679621919 . . . . . . . 111 ARG N . 53128 1 35 . 1 . 1 13 13 LYS H H 1 8.345669748 0.007007400503 . . . . . . . 112 LYS H . 53128 1 36 . 1 . 1 13 13 LYS C C 13 176.3786563 0.01194475006 . . . . . . . 112 LYS C . 53128 1 37 . 1 . 1 13 13 LYS CA C 13 55.55935319 0.03713021 . . . . . . . 112 LYS CA . 53128 1 38 . 1 . 1 13 13 LYS CB C 13 32.18201743 0.055670565 . . . . . . . 112 LYS CB . 53128 1 39 . 1 . 1 13 13 LYS N N 15 123.4489305 0.06238263013 . . . . . . . 112 LYS N . 53128 1 40 . 1 . 1 14 14 LYS H H 1 8.361456159 0.003885764617 . . . . . . . 113 LYS H . 53128 1 41 . 1 . 1 14 14 LYS C C 13 176.4447087 0.0001280625178 . . . . . . . 113 LYS C . 53128 1 42 . 1 . 1 14 14 LYS CA C 13 55.75139942 0.15491602 . . . . . . . 113 LYS CA . 53128 1 43 . 1 . 1 14 14 LYS CB C 13 32.33112544 0.09343745 . . . . . . . 113 LYS CB . 53128 1 44 . 1 . 1 14 14 LYS N N 15 123.5249148 0.02067203538 . . . . . . . 113 LYS N . 53128 1 45 . 1 . 1 15 15 SER H H 1 8.605295863 0.004176679983 . . . . . . . 114 SER H . 53128 1 46 . 1 . 1 15 15 SER C C 13 173.2608568 . . . . . . . . 114 SER C . 53128 1 47 . 1 . 1 15 15 SER CA C 13 55.90631544 . . . . . . . . 114 SER CA . 53128 1 48 . 1 . 1 15 15 SER CB C 13 62.55255194 . . . . . . . . 114 SER CB . 53128 1 49 . 1 . 1 15 15 SER N N 15 119.4766121 0.02173506792 . . . . . . . 114 SER N . 53128 1 50 . 1 . 1 16 16 PRO C C 13 177.1380459 0.005357249323 . . . . . . . 115 PRO C . 53128 1 51 . 1 . 1 16 16 PRO CA C 13 64.09813995 . . . . . . . . 115 PRO CA . 53128 1 52 . 1 . 1 16 16 PRO CB C 13 30.98580972 . . . . . . . . 115 PRO CB . 53128 1 53 . 1 . 1 17 17 ASN H H 1 8.210381165 0.002861428773 . . . . . . . 116 ASN H . 53128 1 54 . 1 . 1 17 17 ASN C C 13 175.708074 0.001378480062 . . . . . . . 116 ASN C . 53128 1 55 . 1 . 1 17 17 ASN CA C 13 54.1579787 0.003306980069 . . . . . . . 116 ASN CA . 53128 1 56 . 1 . 1 17 17 ASN CB C 13 37.60945547 0.002647409994 . . . . . . . 116 ASN CB . 53128 1 57 . 1 . 1 17 17 ASN N N 15 115.3062265 0.05261531251 . . . . . . . 116 ASN N . 53128 1 58 . 1 . 1 18 18 GLU H H 1 7.904803624 0.002792009292 . . . . . . . 117 GLU H . 53128 1 59 . 1 . 1 18 18 GLU C C 13 177.269389 . . . . . . . . 117 GLU C . 53128 1 60 . 1 . 1 18 18 GLU CA C 13 57.53494807 0.01563446086 . . . . . . . 117 GLU CA . 53128 1 61 . 1 . 1 18 18 GLU CB C 13 29.21624659 0.03302651379 . . . . . . . 117 GLU CB . 53128 1 62 . 1 . 1 18 18 GLU N N 15 120.4606714 0.02415781974 . . . . . . . 117 GLU N . 53128 1 63 . 1 . 1 19 19 LEU H H 1 7.92649825 0.002291299222 . . . . . . . 118 LEU H . 53128 1 64 . 1 . 1 19 19 LEU C C 13 178.520596 . . . . . . . . 118 LEU C . 53128 1 65 . 1 . 1 19 19 LEU CA C 13 56.69094169 0.03047522622 . . . . . . . 118 LEU CA . 53128 1 66 . 1 . 1 19 19 LEU CB C 13 40.74678166 0.1044436891 . . . . . . . 118 LEU CB . 53128 1 67 . 1 . 1 19 19 LEU N N 15 120.8379235 0.02389320631 . . . . . . . 118 LEU N . 53128 1 68 . 1 . 1 20 20 VAL H H 1 7.769428639 0.001609050078 . . . . . . . 119 VAL H . 53128 1 69 . 1 . 1 20 20 VAL C C 13 177.0698388 . . . . . . . . 119 VAL C . 53128 1 70 . 1 . 1 20 20 VAL CA C 13 64.65693716 . . . . . . . . 119 VAL CA . 53128 1 71 . 1 . 1 20 20 VAL CB C 13 30.92504999 . . . . . . . . 119 VAL CB . 53128 1 72 . 1 . 1 20 20 VAL N N 15 118.2908577 0.009591406184 . . . . . . . 119 VAL N . 53128 1 73 . 1 . 1 21 21 ASP H H 1 7.999275257 0.002909213353 . . . . . . . 120 ASP H . 53128 1 74 . 1 . 1 21 21 ASP C C 13 178.1461151 0.06064785003 . . . . . . . 120 ASP C . 53128 1 75 . 1 . 1 21 21 ASP CA C 13 56.48903291 . . . . . . . . 120 ASP CA . 53128 1 76 . 1 . 1 21 21 ASP CB C 13 40.25867479 . . . . . . . . 120 ASP CB . 53128 1 77 . 1 . 1 21 21 ASP N N 15 120.7012908 0.0254914465 . . . . . . . 120 ASP N . 53128 1 78 . 1 . 1 22 22 ASP H H 1 8.080624351 0.004004503541 . . . . . . . 121 ASP H . 53128 1 79 . 1 . 1 22 22 ASP C C 13 178.2417178 . . . . . . . . 121 ASP C . 53128 1 80 . 1 . 1 22 22 ASP CA C 13 55.75565625 0.029116185 . . . . . . . 121 ASP CA . 53128 1 81 . 1 . 1 22 22 ASP CB C 13 40.15964351 . . . . . . . . 121 ASP CB . 53128 1 82 . 1 . 1 22 22 ASP N N 15 119.0634028 0.03561786098 . . . . . . . 121 ASP N . 53128 1 83 . 1 . 1 23 23 LEU H H 1 7.914304519 0.005479770296 . . . . . . . 122 LEU H . 53128 1 84 . 1 . 1 23 23 LEU CA C 13 56.87192316 0.1493977974 . . . . . . . 122 LEU CA . 53128 1 85 . 1 . 1 23 23 LEU CB C 13 40.33856707 0.04979926668 . . . . . . . 122 LEU CB . 53128 1 86 . 1 . 1 23 23 LEU N N 15 120.9960603 0.08652297512 . . . . . . . 122 LEU N . 53128 1 87 . 1 . 1 24 24 PHE H H 1 7.825186958 0.006893116551 . . . . . . . 123 PHE H . 53128 1 88 . 1 . 1 24 24 PHE CA C 13 60.80606513 . . . . . . . . 123 PHE CA . 53128 1 89 . 1 . 1 24 24 PHE CB C 13 38.39639572 . . . . . . . . 123 PHE CB . 53128 1 90 . 1 . 1 24 24 PHE N N 15 116.4097241 0.04384651465 . . . . . . . 123 PHE N . 53128 1 91 . 1 . 1 25 25 LYS C C 13 178.116423 . . . . . . . . 124 LYS C . 53128 1 92 . 1 . 1 25 25 LYS CB C 13 31.62369563 . . . . . . . . 124 LYS CB . 53128 1 93 . 1 . 1 26 26 GLY H H 1 8.000862051 0.0004350104111 . . . . . . . 125 GLY H . 53128 1 94 . 1 . 1 26 26 GLY C C 13 175.759732 . . . . . . . . 125 GLY C . 53128 1 95 . 1 . 1 26 26 GLY CA C 13 45.66646232 0.01680543 . . . . . . . 125 GLY CA . 53128 1 96 . 1 . 1 26 26 GLY N N 15 107.2287352 0.007383554855 . . . . . . . 125 GLY N . 53128 1 97 . 1 . 1 27 27 ALA H H 1 7.909152106 0.003720283196 . . . . . . . 126 ALA H . 53128 1 98 . 1 . 1 27 27 ALA C C 13 180.4591339 . . . . . . . . 126 ALA C . 53128 1 99 . 1 . 1 27 27 ALA CA C 13 53.30887904 . . . . . . . . 126 ALA CA . 53128 1 100 . 1 . 1 27 27 ALA CB C 13 17.63923274 . . . . . . . . 126 ALA CB . 53128 1 101 . 1 . 1 27 27 ALA N N 15 123.2642426 0.1126825656 . . . . . . . 126 ALA N . 53128 1 102 . 1 . 1 31 31 GLY C C 13 173.983891 . . . . . . . . 130 GLY C . 53128 1 103 . 1 . 1 31 31 GLY CA C 13 44.99929533 . . . . . . . . 130 GLY CA . 53128 1 104 . 1 . 1 32 32 ALA H H 1 8.091185295 0.002331629594 . . . . . . . 131 ALA H . 53128 1 105 . 1 . 1 32 32 ALA C C 13 177.4332759 0.007657899773 . . . . . . . 131 ALA C . 53128 1 106 . 1 . 1 32 32 ALA CA C 13 52.07522261 0.007583565005 . . . . . . . 131 ALA CA . 53128 1 107 . 1 . 1 32 32 ALA CB C 13 18.46206196 0.006782655003 . . . . . . . 131 ALA CB . 53128 1 108 . 1 . 1 32 32 ALA N N 15 123.2343065 0.01942292779 . . . . . . . 131 ALA N . 53128 1 109 . 1 . 1 33 33 VAL H H 1 8.038810259 0.002245148991 . . . . . . . 132 VAL H . 53128 1 110 . 1 . 1 33 33 VAL C C 13 175.6764233 0.008381331124 . . . . . . . 132 VAL C . 53128 1 111 . 1 . 1 33 33 VAL CA C 13 61.17061549 0.01110597499 . . . . . . . 132 VAL CA . 53128 1 112 . 1 . 1 33 33 VAL CB C 13 32.34840352 0.010186905 . . . . . . . 132 VAL CB . 53128 1 113 . 1 . 1 33 33 VAL N N 15 118.6899972 0.01096015941 . . . . . . . 132 VAL N . 53128 1 114 . 1 . 1 34 34 ALA H H 1 8.347618104 0.0161178774 . . . . . . . 133 ALA H . 53128 1 115 . 1 . 1 34 34 ALA C C 13 177.5227144 0.01439917325 . . . . . . . 133 ALA C . 53128 1 116 . 1 . 1 34 34 ALA CA C 13 51.81914347 0.004734790045 . . . . . . . 133 ALA CA . 53128 1 117 . 1 . 1 34 34 ALA CB C 13 18.15632414 0.006001504998 . . . . . . . 133 ALA CB . 53128 1 118 . 1 . 1 34 34 ALA N N 15 127.7185893 0.06516082632 . . . . . . . 133 ALA N . 53128 1 119 . 1 . 1 35 35 VAL H H 1 7.945121264 0.002473390024 . . . . . . . 134 VAL H . 53128 1 120 . 1 . 1 35 35 VAL C C 13 176.055078 0.0142737881 . . . . . . . 134 VAL C . 53128 1 121 . 1 . 1 35 35 VAL CA C 13 61.63161356 0.0001253800669 . . . . . . . 134 VAL CA . 53128 1 122 . 1 . 1 35 35 VAL CB C 13 31.95910359 0.003575979999 . . . . . . . 134 VAL CB . 53128 1 123 . 1 . 1 35 35 VAL N N 15 119.692636 0.01575369243 . . . . . . . 134 VAL N . 53128 1 124 . 1 . 1 36 36 GLU H H 1 8.392940643 0.003610967149 . . . . . . . 135 GLU H . 53128 1 125 . 1 . 1 36 36 GLU C C 13 176.212786 0.002324913246 . . . . . . . 135 GLU C . 53128 1 126 . 1 . 1 36 36 GLU CA C 13 55.76799208 0.18633311 . . . . . . . 135 GLU CA . 53128 1 127 . 1 . 1 36 36 GLU CB C 13 29.5442678 0.147672875 . . . . . . . 135 GLU CB . 53128 1 128 . 1 . 1 36 36 GLU N N 15 124.1484228 0.02038322891 . . . . . . . 135 GLU N . 53128 1 129 . 1 . 1 37 37 ARG H H 1 8.303418371 0.001760766537 . . . . . . . 136 ARG H . 53128 1 130 . 1 . 1 37 37 ARG C C 13 176.0737417 . . . . . . . . 136 ARG C . 53128 1 131 . 1 . 1 37 37 ARG CA C 13 55.52861465 0.05304432 . . . . . . . 136 ARG CA . 53128 1 132 . 1 . 1 37 37 ARG CB C 13 29.72128558 0.02934491 . . . . . . . 136 ARG CB . 53128 1 133 . 1 . 1 37 37 ARG N N 15 122.1887513 0.01411722902 . . . . . . . 136 ARG N . 53128 1 134 . 1 . 1 38 38 VAL H H 1 8.112495651 0.002663280033 . . . . . . . 137 VAL H . 53128 1 135 . 1 . 1 38 38 VAL C C 13 176.2321822 0.002189849717 . . . . . . . 137 VAL C . 53128 1 136 . 1 . 1 38 38 VAL CA C 13 61.51836119 0.213288215 . . . . . . . 137 VAL CA . 53128 1 137 . 1 . 1 38 38 VAL CB C 13 31.82412673 0.01840117 . . . . . . . 137 VAL CB . 53128 1 138 . 1 . 1 38 38 VAL N N 15 121.2842706 0.02074487321 . . . . . . . 137 VAL N . 53128 1 139 . 1 . 1 39 39 THR H H 1 8.192802323 0.002393828855 . . . . . . . 138 THR H . 53128 1 140 . 1 . 1 39 39 THR C C 13 174.1057522 . . . . . . . . 138 THR C . 53128 1 141 . 1 . 1 39 39 THR CA C 13 61.23547133 0.04931292025 . . . . . . . 138 THR CA . 53128 1 142 . 1 . 1 39 39 THR CB C 13 69.17766388 0.001234039825 . . . . . . . 138 THR CB . 53128 1 143 . 1 . 1 39 39 THR N N 15 118.383975 0.02717211302 . . . . . . . 138 THR N . 53128 1 144 . 1 . 1 40 40 LYS H H 1 8.272737624 0.004279421295 . . . . . . . 139 LYS H . 53128 1 145 . 1 . 1 40 40 LYS C C 13 176.1666493 0.007357140649 . . . . . . . 139 LYS C . 53128 1 146 . 1 . 1 40 40 LYS CA C 13 55.65589207 0.183007135 . . . . . . . 139 LYS CA . 53128 1 147 . 1 . 1 40 40 LYS CB C 13 32.20535373 0.012887505 . . . . . . . 139 LYS CB . 53128 1 148 . 1 . 1 40 40 LYS N N 15 123.809645 0.03981806282 . . . . . . . 139 LYS N . 53128 1 149 . 1 . 1 41 41 SER H H 1 8.384606033 0.005605669672 . . . . . . . 140 SER H . 53128 1 150 . 1 . 1 41 41 SER C C 13 172.925 . . . . . . . . 140 SER C . 53128 1 151 . 1 . 1 41 41 SER CA C 13 55.8388992 . . . . . . . . 140 SER CA . 53128 1 152 . 1 . 1 41 41 SER CB C 13 62.48664937 . . . . . . . . 140 SER CB . 53128 1 153 . 1 . 1 41 41 SER N N 15 118.6487964 0.08464562231 . . . . . . . 140 SER N . 53128 1 154 . 1 . 1 42 42 PRO C C 13 177.5886984 . . . . . . . . 141 PRO C . 53128 1 155 . 1 . 1 42 42 PRO CA C 13 63.30046303 . . . . . . . . 141 PRO CA . 53128 1 156 . 1 . 1 42 42 PRO CB C 13 30.99475802 . . . . . . . . 141 PRO CB . 53128 1 157 . 1 . 1 43 43 GLY H H 1 8.344447779 0.001097845336 . . . . . . . 142 GLY H . 53128 1 158 . 1 . 1 43 43 GLY CA C 13 44.70773231 0.01964577001 . . . . . . . 142 GLY CA . 53128 1 159 . 1 . 1 43 43 GLY N N 15 108.5206733 0.006554392039 . . . . . . . 142 GLY N . 53128 1 160 . 1 . 1 44 44 GLU H H 1 8.039693292 0.01430295562 . . . . . . . 143 GLU H . 53128 1 161 . 1 . 1 44 44 GLU C C 13 176.9135883 . . . . . . . . 143 GLU C . 53128 1 162 . 1 . 1 44 44 GLU CA C 13 56.079412 0.01132546 . . . . . . . 143 GLU CA . 53128 1 163 . 1 . 1 44 44 GLU CB C 13 29.50079358 0.027305565 . . . . . . . 143 GLU CB . 53128 1 164 . 1 . 1 44 44 GLU N N 15 120.4023776 0.03507662537 . . . . . . . 143 GLU N . 53128 1 165 . 1 . 1 45 45 THR H H 1 8.174985432 0.0006087319158 . . . . . . . 144 THR H . 53128 1 166 . 1 . 1 45 45 THR C C 13 174.604623 . . . . . . . . 144 THR C . 53128 1 167 . 1 . 1 45 45 THR CA C 13 61.46601444 0.031175835 . . . . . . . 144 THR CA . 53128 1 168 . 1 . 1 45 45 THR CB C 13 69.09169146 0.007218824934 . . . . . . . 144 THR CB . 53128 1 169 . 1 . 1 45 45 THR N N 15 114.6822903 0.03621619577 . . . . . . . 144 THR N . 53128 1 170 . 1 . 1 46 46 SER H H 1 8.205702339 0.002329806272 . . . . . . . 145 SER H . 53128 1 171 . 1 . 1 46 46 SER C C 13 173.9643597 . . . . . . . . 145 SER C . 53128 1 172 . 1 . 1 46 46 SER CA C 13 57.81127336 0.01292853502 . . . . . . . 145 SER CA . 53128 1 173 . 1 . 1 46 46 SER CB C 13 62.98130503 0.01926743 . . . . . . . 145 SER CB . 53128 1 174 . 1 . 1 46 46 SER N N 15 117.712131 0.02669628702 . . . . . . . 145 SER N . 53128 1 175 . 1 . 1 47 47 LYS H H 1 8.108712223 0.002118527754 . . . . . . . 146 LYS H . 53128 1 176 . 1 . 1 47 47 LYS C C 13 174.2815098 . . . . . . . . 146 LYS C . 53128 1 177 . 1 . 1 47 47 LYS CA C 13 53.69574432 . . . . . . . . 146 LYS CA . 53128 1 178 . 1 . 1 47 47 LYS CB C 13 31.51035245 . . . . . . . . 146 LYS CB . 53128 1 179 . 1 . 1 47 47 LYS N N 15 123.6947009 0.01770450374 . . . . . . . 146 LYS N . 53128 1 180 . 1 . 1 48 48 PRO C C 13 176.5641916 0.002166999883 . . . . . . . 147 PRO C . 53128 1 181 . 1 . 1 48 48 PRO CA C 13 62.49378993 . . . . . . . . 147 PRO CA . 53128 1 182 . 1 . 1 48 48 PRO CB C 13 31.112548 . . . . . . . . 147 PRO CB . 53128 1 183 . 1 . 1 49 49 ARG H H 1 8.360798643 0.004413237912 . . . . . . . 148 ARG H . 53128 1 184 . 1 . 1 49 49 ARG C C 13 174.3791529 . . . . . . . . 148 ARG C . 53128 1 185 . 1 . 1 49 49 ARG CA C 13 53.31186535 . . . . . . . . 148 ARG CA . 53128 1 186 . 1 . 1 49 49 ARG CB C 13 29.21430055 . . . . . . . . 148 ARG CB . 53128 1 187 . 1 . 1 49 49 ARG N N 15 122.1541045 0.02247221371 . . . . . . . 148 ARG N . 53128 1 188 . 1 . 1 50 50 PRO C C 13 176.522962 . . . . . . . . 149 PRO C . 53128 1 189 . 1 . 1 50 50 PRO CA C 13 62.69843721 . . . . . . . . 149 PRO CA . 53128 1 190 . 1 . 1 50 50 PRO CB C 13 30.92650592 . . . . . . . . 149 PRO CB . 53128 1 191 . 1 . 1 51 51 PHE H H 1 8.196207191 0.0005132262429 . . . . . . . 150 PHE H . 53128 1 192 . 1 . 1 51 51 PHE C C 13 175.5073336 . . . . . . . . 150 PHE C . 53128 1 193 . 1 . 1 51 51 PHE CA C 13 57.20987633 0.01064168999 . . . . . . . 150 PHE CA . 53128 1 194 . 1 . 1 51 51 PHE CB C 13 38.50464013 0.008645874996 . . . . . . . 150 PHE CB . 53128 1 195 . 1 . 1 51 51 PHE N N 15 119.8365685 0.0305681546 . . . . . . . 150 PHE N . 53128 1 196 . 1 . 1 52 52 ALA H H 1 8.160412009 0.00109971219 . . . . . . . 151 ALA H . 53128 1 197 . 1 . 1 52 52 ALA C C 13 177.6167157 . . . . . . . . 151 ALA C . 53128 1 198 . 1 . 1 52 52 ALA CA C 13 51.87471552 0.005805454979 . . . . . . . 151 ALA CA . 53128 1 199 . 1 . 1 52 52 ALA CB C 13 18.41690706 0.00929633 . . . . . . . 151 ALA CB . 53128 1 200 . 1 . 1 52 52 ALA N N 15 125.8628746 0.01916398722 . . . . . . . 151 ALA N . 53128 1 201 . 1 . 1 53 53 GLY H H 1 7.667306318 0.001183070686 . . . . . . . 152 GLY H . 53128 1 202 . 1 . 1 53 53 GLY C C 13 174.3889917 . . . . . . . . 152 GLY C . 53128 1 203 . 1 . 1 53 53 GLY CA C 13 44.79106181 . . . . . . . . 152 GLY CA . 53128 1 204 . 1 . 1 53 53 GLY N N 15 107.143959 0.01392226127 . . . . . . . 152 GLY N . 53128 1 205 . 1 . 1 54 54 GLY H H 1 8.143798882 0.001404446395 . . . . . . . 153 GLY H . 53128 1 206 . 1 . 1 54 54 GLY C C 13 174.0697184 . . . . . . . . 153 GLY C . 53128 1 207 . 1 . 1 54 54 GLY CA C 13 44.70428848 . . . . . . . . 153 GLY CA . 53128 1 208 . 1 . 1 54 54 GLY N N 15 108.2638794 0.003815834353 . . . . . . . 153 GLY N . 53128 1 209 . 1 . 1 55 55 GLY H H 1 8.101983717 0.0004869409544 . . . . . . . 154 GLY H . 53128 1 210 . 1 . 1 55 55 GLY C C 13 173.4175416 . . . . . . . . 154 GLY C . 53128 1 211 . 1 . 1 55 55 GLY CA C 13 44.61908505 . . . . . . . . 154 GLY CA . 53128 1 212 . 1 . 1 55 55 GLY N N 15 108.0125338 0.005463500029 . . . . . . . 154 GLY N . 53128 1 213 . 1 . 1 56 56 TYR H H 1 8.074596687 0.008880577216 . . . . . . . 155 TYR H . 53128 1 214 . 1 . 1 56 56 TYR C C 13 174.8005296 . . . . . . . . 155 TYR C . 53128 1 215 . 1 . 1 56 56 TYR CA C 13 57.24358194 0.038728714 . . . . . . . 155 TYR CA . 53128 1 216 . 1 . 1 56 56 TYR CB C 13 38.60582314 0.2094274231 . . . . . . . 155 TYR CB . 53128 1 217 . 1 . 1 56 56 TYR N N 15 119.4932027 0.03640860727 . . . . . . . 155 TYR N . 53128 1 218 . 1 . 1 57 57 ARG H H 1 8.289771373 0.0002609028411 . . . . . . . 156 ARG H . 53128 1 219 . 1 . 1 57 57 ARG C C 13 176.5153674 0.007594650072 . . . . . . . 156 ARG C . 53128 1 220 . 1 . 1 57 57 ARG CA C 13 55.6463507 0.05226618001 . . . . . . . 156 ARG CA . 53128 1 221 . 1 . 1 57 57 ARG CB C 13 31.748467 0.001194884988 . . . . . . . 156 ARG CB . 53128 1 222 . 1 . 1 57 57 ARG N N 15 122.4681803 0.01622088292 . . . . . . . 156 ARG N . 53128 1 223 . 1 . 1 58 58 LEU H H 1 8.244562267 0.0004848330179 . . . . . . . 157 LEU H . 53128 1 224 . 1 . 1 58 58 LEU C C 13 177.8799023 0.007249164224 . . . . . . . 157 LEU C . 53128 1 225 . 1 . 1 58 58 LEU CA C 13 54.76495797 0.01970454999 . . . . . . . 157 LEU CA . 53128 1 226 . 1 . 1 58 58 LEU CB C 13 41.24345929 0.01844766499 . . . . . . . 157 LEU CB . 53128 1 227 . 1 . 1 58 58 LEU N N 15 123.552057 0.02198128067 . . . . . . . 157 LEU N . 53128 1 228 . 1 . 1 59 59 GLY H H 1 8.378571143 0.001530291447 . . . . . . . 158 GLY H . 53128 1 229 . 1 . 1 59 59 GLY CA C 13 44.56533087 0.08358921 . . . . . . . 158 GLY CA . 53128 1 230 . 1 . 1 59 59 GLY N N 15 109.6726652 0.03965968888 . . . . . . . 158 GLY N . 53128 1 231 . 1 . 1 60 60 ALA H H 1 8.041210036 0.006461590433 . . . . . . . 159 ALA H . 53128 1 232 . 1 . 1 60 60 ALA C C 13 176.8083169 0.007614799606 . . . . . . . 159 ALA C . 53128 1 233 . 1 . 1 60 60 ALA CA C 13 51.35357499 0.01865444502 . . . . . . . 159 ALA CA . 53128 1 234 . 1 . 1 60 60 ALA CB C 13 18.95772939 0.007107885002 . . . . . . . 159 ALA CB . 53128 1 235 . 1 . 1 60 60 ALA N N 15 123.1638448 0.058854882 . . . . . . . 159 ALA N . 53128 1 236 . 1 . 1 61 61 ALA H H 1 8.283306806 0.004198921215 . . . . . . . 160 ALA H . 53128 1 237 . 1 . 1 61 61 ALA C C 13 175.6289847 . . . . . . . . 160 ALA C . 53128 1 238 . 1 . 1 61 61 ALA CA C 13 49.85722825 . . . . . . . . 160 ALA CA . 53128 1 239 . 1 . 1 61 61 ALA CB C 13 17.18983571 . . . . . . . . 160 ALA CB . 53128 1 240 . 1 . 1 61 61 ALA N N 15 124.6396874 0.02443286868 . . . . . . . 160 ALA N . 53128 1 241 . 1 . 1 62 62 PRO C C 13 177.2261974 0.0001079970373 . . . . . . . 161 PRO C . 53128 1 242 . 1 . 1 62 62 PRO CA C 13 62.86454507 . . . . . . . . 161 PRO CA . 53128 1 243 . 1 . 1 62 62 PRO CB C 13 31.02863636 . . . . . . . . 161 PRO CB . 53128 1 244 . 1 . 1 63 63 GLU H H 1 8.520924028 0.003810463814 . . . . . . . 162 GLU H . 53128 1 245 . 1 . 1 63 63 GLU C C 13 176.7238442 0.01498361869 . . . . . . . 162 GLU C . 53128 1 246 . 1 . 1 63 63 GLU CA C 13 56.41356339 . . . . . . . . 162 GLU CA . 53128 1 247 . 1 . 1 63 63 GLU CB C 13 29.14416091 . . . . . . . . 162 GLU CB . 53128 1 248 . 1 . 1 63 63 GLU N N 15 120.2455093 0.03117375154 . . . . . . . 162 GLU N . 53128 1 249 . 1 . 1 64 64 GLU H H 1 8.300894392 0.004657701802 . . . . . . . 163 GLU H . 53128 1 250 . 1 . 1 64 64 GLU C C 13 176.739964 0.03690509997 . . . . . . . 163 GLU C . 53128 1 251 . 1 . 1 64 64 GLU CA C 13 56.24698174 . . . . . . . . 163 GLU CA . 53128 1 252 . 1 . 1 64 64 GLU CB C 13 29.3169629 . . . . . . . . 163 GLU CB . 53128 1 253 . 1 . 1 64 64 GLU N N 15 121.0123921 0.0226050307 . . . . . . . 163 GLU N . 53128 1 254 . 1 . 1 65 65 GLU H H 1 8.317801624 0.003786224787 . . . . . . . 164 GLU H . 53128 1 255 . 1 . 1 65 65 GLU C C 13 176.8083169 0.007614799606 . . . . . . . 164 GLU C . 53128 1 256 . 1 . 1 65 65 GLU CA C 13 56.48216468 0.06903286 . . . . . . . 164 GLU CA . 53128 1 257 . 1 . 1 65 65 GLU CB C 13 29.32727079 0.01176381 . . . . . . . 164 GLU CB . 53128 1 258 . 1 . 1 65 65 GLU N N 15 121.6151078 0.03723584637 . . . . . . . 164 GLU N . 53128 1 259 . 1 . 1 66 66 SER H H 1 8.208666911 0.002218882138 . . . . . . . 165 SER H . 53128 1 260 . 1 . 1 66 66 SER C C 13 174.5403678 . . . . . . . . 165 SER C . 53128 1 261 . 1 . 1 66 66 SER CA C 13 58.20350298 0.001439590097 . . . . . . . 165 SER CA . 53128 1 262 . 1 . 1 66 66 SER CB C 13 62.91819311 0.001050149809 . . . . . . . 165 SER CB . 53128 1 263 . 1 . 1 66 66 SER N N 15 115.8852713 0.04137299465 . . . . . . . 165 SER N . 53128 1 264 . 1 . 1 67 67 ALA H H 1 8.1376331 0.004823070369 . . . . . . . 166 ALA H . 53128 1 265 . 1 . 1 67 67 ALA C C 13 177.7106461 0.008396620739 . . . . . . . 166 ALA C . 53128 1 266 . 1 . 1 67 67 ALA CA C 13 52.43421334 0.004154245059 . . . . . . . 166 ALA CA . 53128 1 267 . 1 . 1 67 67 ALA CB C 13 18.08039424 0.005180835 . . . . . . . 166 ALA CB . 53128 1 268 . 1 . 1 67 67 ALA N N 15 124.7566086 0.05656261213 . . . . . . . 166 ALA N . 53128 1 269 . 1 . 1 68 68 TYR H H 1 7.957775196 0.00215094475 . . . . . . . 167 TYR H . 53128 1 270 . 1 . 1 68 68 TYR C C 13 176.0466481 0.00756231887 . . . . . . . 167 TYR C . 53128 1 271 . 1 . 1 68 68 TYR CA C 13 57.83042642 0.004077120047 . . . . . . . 167 TYR CA . 53128 1 272 . 1 . 1 68 68 TYR CB C 13 37.88250645 0.001966560093 . . . . . . . 167 TYR CB . 53128 1 273 . 1 . 1 68 68 TYR N N 15 118.6957713 0.0146872059 . . . . . . . 167 TYR N . 53128 1 274 . 1 . 1 69 69 VAL H H 1 7.868868814 0.0002824919616 . . . . . . . 168 VAL H . 53128 1 275 . 1 . 1 69 69 VAL C C 13 175.8588973 . . . . . . . . 168 VAL C . 53128 1 276 . 1 . 1 69 69 VAL CA C 13 61.89487049 0.004957434987 . . . . . . . 168 VAL CA . 53128 1 277 . 1 . 1 69 69 VAL CB C 13 31.91959913 0.00608965 . . . . . . . 168 VAL CB . 53128 1 278 . 1 . 1 69 69 VAL N N 15 122.1540079 0.02263043311 . . . . . . . 168 VAL N . 53128 1 279 . 1 . 1 70 70 ALA H H 1 8.21300207 0.0002800927474 . . . . . . . 169 ALA H . 53128 1 280 . 1 . 1 70 70 ALA C C 13 178.4425047 . . . . . . . . 169 ALA C . 53128 1 281 . 1 . 1 70 70 ALA CA C 13 52.59027297 0.0002674763199 . . . . . . . 169 ALA CA . 53128 1 282 . 1 . 1 70 70 ALA CB C 13 17.86285984 0.005062294995 . . . . . . . 169 ALA CB . 53128 1 283 . 1 . 1 70 70 ALA N N 15 126.3007124 0.01950553723 . . . . . . . 169 ALA N . 53128 1 284 . 1 . 1 71 71 GLY H H 1 8.192166227 0.001017784899 . . . . . . . 170 GLY H . 53128 1 285 . 1 . 1 71 71 GLY CA C 13 44.94589045 0.01517397499 . . . . . . . 170 GLY CA . 53128 1 286 . 1 . 1 71 71 GLY N N 15 107.3538357 0.007074365336 . . . . . . . 170 GLY N . 53128 1 287 . 1 . 1 72 72 GLU H H 1 8.065151235 0.000666772372 . . . . . . . 171 GLU H . 53128 1 288 . 1 . 1 72 72 GLU C C 13 176.7182752 . . . . . . . . 171 GLU C . 53128 1 289 . 1 . 1 72 72 GLU CA C 13 56.14673428 . . . . . . . . 171 GLU CA . 53128 1 290 . 1 . 1 72 72 GLU CB C 13 29.46076497 . . . . . . . . 171 GLU CB . 53128 1 291 . 1 . 1 72 72 GLU N N 15 120.4600237 0.002625050185 . . . . . . . 171 GLU N . 53128 1 292 . 1 . 1 73 73 ARG H H 1 8.253739577 0.0008937238819 . . . . . . . 172 ARG H . 53128 1 293 . 1 . 1 73 73 ARG CA C 13 55.94224848 . . . . . . . . 172 ARG CA . 53128 1 294 . 1 . 1 73 73 ARG CB C 13 29.42390184 . . . . . . . . 172 ARG CB . 53128 1 295 . 1 . 1 73 73 ARG N N 15 121.4398744 0.002732655863 . . . . . . . 172 ARG N . 53128 1 296 . 1 . 1 75 75 ARG H H 1 8.241231107 0.0001776452017 . . . . . . . 174 ARG H . 53128 1 297 . 1 . 1 75 75 ARG CA C 13 55.7531213 . . . . . . . . 174 ARG CA . 53128 1 298 . 1 . 1 75 75 ARG CB C 13 29.78428694 . . . . . . . . 174 ARG CB . 53128 1 299 . 1 . 1 75 75 ARG N N 15 121.8120287 0.001458833703 . . . . . . . 174 ARG N . 53128 1 300 . 1 . 1 76 76 HIS H H 1 8.291057655 0.001367186645 . . . . . . . 175 HIS H . 53128 1 301 . 1 . 1 76 76 HIS C C 13 175.1167073 . . . . . . . . 175 HIS C . 53128 1 302 . 1 . 1 76 76 HIS CA C 13 55.51613178 0.06314422 . . . . . . . 175 HIS CA . 53128 1 303 . 1 . 1 76 76 HIS CB C 13 29.7314041 0.051776465 . . . . . . . 175 HIS CB . 53128 1 304 . 1 . 1 76 76 HIS N N 15 120.1295027 0.005807151499 . . . . . . . 175 HIS N . 53128 1 305 . 1 . 1 77 77 SER H H 1 8.301623489 0.004104670457 . . . . . . . 176 SER H . 53128 1 306 . 1 . 1 77 77 SER C C 13 174.9730101 . . . . . . . . 176 SER C . 53128 1 307 . 1 . 1 77 77 SER CA C 13 57.94885584 0.01006228498 . . . . . . . 176 SER CA . 53128 1 308 . 1 . 1 77 77 SER CB C 13 63.22116765 0.033436845 . . . . . . . 176 SER CB . 53128 1 309 . 1 . 1 77 77 SER N N 15 116.9582796 0.02141671426 . . . . . . . 176 SER N . 53128 1 310 . 1 . 1 78 78 GLY H H 1 8.442287334 0.0004743330741 . . . . . . . 177 GLY H . 53128 1 311 . 1 . 1 78 78 GLY C C 13 173.8081091 . . . . . . . . 177 GLY C . 53128 1 312 . 1 . 1 78 78 GLY CA C 13 44.90590119 0.012572155 . . . . . . . 177 GLY CA . 53128 1 313 . 1 . 1 78 78 GLY N N 15 110.6601749 0.006587423037 . . . . . . . 177 GLY N . 53128 1 314 . 1 . 1 79 79 GLN H H 1 8.145529204 0.002142092956 . . . . . . . 178 GLN H . 53128 1 315 . 1 . 1 79 79 GLN C C 13 175.0581133 . . . . . . . . 178 GLN C . 53128 1 316 . 1 . 1 79 79 GLN CA C 13 54.89189006 0.005097099988 . . . . . . . 178 GLN CA . 53128 1 317 . 1 . 1 79 79 GLN CB C 13 29.11651075 0.03676001 . . . . . . . 178 GLN CB . 53128 1 318 . 1 . 1 79 79 GLN N N 15 119.1971313 0.02412515141 . . . . . . . 178 GLN N . 53128 1 319 . 1 . 1 80 80 ASP H H 1 8.151008078 0.0003566183704 . . . . . . . 179 ASP H . 53128 1 320 . 1 . 1 80 80 ASP C C 13 176.1052381 0.007566349614 . . . . . . . 179 ASP C . 53128 1 321 . 1 . 1 80 80 ASP CA C 13 53.90709105 0.001447564995 . . . . . . . 179 ASP CA . 53128 1 322 . 1 . 1 80 80 ASP CB C 13 40.63665598 0.009682345019 . . . . . . . 179 ASP CB . 53128 1 323 . 1 . 1 80 80 ASP N N 15 121.4460207 0.01289109833 . . . . . . . 179 ASP N . 53128 1 324 . 1 . 1 81 81 VAL H H 1 8.41718658 0.004884524754 . . . . . . . 180 VAL H . 53128 1 325 . 1 . 1 81 81 VAL C C 13 174.3011273 0.01961749999 . . . . . . . 180 VAL C . 53128 1 326 . 1 . 1 81 81 VAL CA C 13 61.02821388 0.004965414977 . . . . . . . 180 VAL CA . 53128 1 327 . 1 . 1 81 81 VAL CB C 13 33.42936733 0.003563819991 . . . . . . . 180 VAL CB . 53128 1 328 . 1 . 1 81 81 VAL N N 15 120.5582818 0.01708642828 . . . . . . . 180 VAL N . 53128 1 329 . 1 . 1 82 82 HIS H H 1 8.828612848 0.003583781591 . . . . . . . 181 HIS H . 53128 1 330 . 1 . 1 82 82 HIS C C 13 174.0838548 . . . . . . . . 181 HIS C . 53128 1 331 . 1 . 1 82 82 HIS CA C 13 53.98456577 0.01139510997 . . . . . . . 181 HIS CA . 53128 1 332 . 1 . 1 82 82 HIS CB C 13 30.09331199 0.012530365 . . . . . . . 181 HIS CB . 53128 1 333 . 1 . 1 82 82 HIS N N 15 126.4676438 0.03333188335 . . . . . . . 181 HIS N . 53128 1 334 . 1 . 1 83 83 VAL H H 1 8.465238038 0.0004877000936 . . . . . . . 182 VAL H . 53128 1 335 . 1 . 1 83 83 VAL C C 13 173.3554097 . . . . . . . . 182 VAL C . 53128 1 336 . 1 . 1 83 83 VAL CA C 13 59.89239268 0.008768975054 . . . . . . . 182 VAL CA . 53128 1 337 . 1 . 1 83 83 VAL CB C 13 34.66752071 0.003322179987 . . . . . . . 182 VAL CB . 53128 1 338 . 1 . 1 83 83 VAL N N 15 126.1915285 0.008342938057 . . . . . . . 182 VAL N . 53128 1 339 . 1 . 1 84 84 VAL H H 1 8.975438793 0.00209825936 . . . . . . . 183 VAL H . 53128 1 340 . 1 . 1 84 84 VAL C C 13 174.4809179 . . . . . . . . 183 VAL C . 53128 1 341 . 1 . 1 84 84 VAL CA C 13 60.79516432 0.007517079988 . . . . . . . 183 VAL CA . 53128 1 342 . 1 . 1 84 84 VAL CB C 13 31.87859924 0.01758506 . . . . . . . 183 VAL CB . 53128 1 343 . 1 . 1 84 84 VAL N N 15 126.5369742 0.01618660514 . . . . . . . 183 VAL N . 53128 1 344 . 1 . 1 85 85 LEU H H 1 9.145212426 0.002367526614 . . . . . . . 184 LEU H . 53128 1 345 . 1 . 1 85 85 LEU C C 13 173.7179413 0.002761549039 . . . . . . . 184 LEU C . 53128 1 346 . 1 . 1 85 85 LEU CA C 13 53.12669942 0.001990114827 . . . . . . . 184 LEU CA . 53128 1 347 . 1 . 1 85 85 LEU CB C 13 42.9037885 0.0004498495499 . . . . . . . 184 LEU CB . 53128 1 348 . 1 . 1 85 85 LEU N N 15 130.5744355 0.0103028455 . . . . . . . 184 LEU N . 53128 1 349 . 1 . 1 86 86 LYS H H 1 9.609025259 0.005744360583 . . . . . . . 185 LYS H . 53128 1 350 . 1 . 1 86 86 LYS C C 13 174.572902 0.04294734808 . . . . . . . 185 LYS C . 53128 1 351 . 1 . 1 86 86 LYS CA C 13 55.14934852 0.008704385006 . . . . . . . 185 LYS CA . 53128 1 352 . 1 . 1 86 86 LYS CB C 13 32.44832119 0.02055466 . . . . . . . 185 LYS CB . 53128 1 353 . 1 . 1 86 86 LYS N N 15 127.5893685 0.02637967982 . . . . . . . 185 LYS N . 53128 1 354 . 1 . 1 87 87 LEU H H 1 7.991783791 0.005167128283 . . . . . . . 186 LEU H . 53128 1 355 . 1 . 1 87 87 LEU C C 13 174.6795503 0.007468049848 . . . . . . . 186 LEU C . 53128 1 356 . 1 . 1 87 87 LEU CA C 13 53.60016933 0.01075605001 . . . . . . . 186 LEU CA . 53128 1 357 . 1 . 1 87 87 LEU CB C 13 40.3750457 0.02589506999 . . . . . . . 186 LEU CB . 53128 1 358 . 1 . 1 87 87 LEU N N 15 122.8497096 0.01159604088 . . . . . . . 186 LEU N . 53128 1 359 . 1 . 1 88 88 TRP H H 1 8.619156294 0.003909873683 . . . . . . . 187 TRP H . 53128 1 360 . 1 . 1 88 88 TRP HE1 H 1 10.39244525 . . . . . . . . 187 TRP HE1 . 53128 1 361 . 1 . 1 88 88 TRP C C 13 177.8082937 0.008398609633 . . . . . . . 187 TRP C . 53128 1 362 . 1 . 1 88 88 TRP CA C 13 54.92547295 0.009897389997 . . . . . . . 187 TRP CA . 53128 1 363 . 1 . 1 88 88 TRP CB C 13 29.69510176 0.022167115 . . . . . . . 187 TRP CB . 53128 1 364 . 1 . 1 88 88 TRP N N 15 121.778934 0.02724828187 . . . . . . . 187 TRP N . 53128 1 365 . 1 . 1 88 88 TRP NE1 N 15 129.7779712 . . . . . . . . 187 TRP NE1 . 53128 1 366 . 1 . 1 89 89 LYS H H 1 8.680678181 0.00237013725 . . . . . . . 188 LYS H . 53128 1 367 . 1 . 1 89 89 LYS C C 13 179.239351 . . . . . . . . 188 LYS C . 53128 1 368 . 1 . 1 89 89 LYS CA C 13 60.69938227 . . . . . . . . 188 LYS CA . 53128 1 369 . 1 . 1 89 89 LYS CB C 13 32.47920105 . . . . . . . . 188 LYS CB . 53128 1 370 . 1 . 1 89 89 LYS N N 15 120.3354666 0.01418331145 . . . . . . . 188 LYS N . 53128 1 371 . 1 . 1 90 90 THR H H 1 7.696408836 0.001782544666 . . . . . . . 189 THR H . 53128 1 372 . 1 . 1 90 90 THR CA C 13 60.49535087 . . . . . . . . 189 THR CA . 53128 1 373 . 1 . 1 90 90 THR CB C 13 68.91995017 0.0006929269218 . . . . . . . 189 THR CB . 53128 1 374 . 1 . 1 90 90 THR N N 15 128.3189094 0.04238986736 . . . . . . . 189 THR N . 53128 1 375 . 1 . 1 91 91 GLY H H 1 7.018902609 0.00116479682 . . . . . . . 190 GLY H . 53128 1 376 . 1 . 1 91 91 GLY CA C 13 44.07689941 0.005217404953 . . . . . . . 190 GLY CA . 53128 1 377 . 1 . 1 91 91 GLY N N 15 113.2591896 0.01303801771 . . . . . . . 190 GLY N . 53128 1 378 . 1 . 1 92 92 PHE H H 1 8.486092535 0.002909778967 . . . . . . . 191 PHE H . 53128 1 379 . 1 . 1 92 92 PHE C C 13 172.4648831 0.01501692608 . . . . . . . 191 PHE C . 53128 1 380 . 1 . 1 92 92 PHE CA C 13 53.59335552 0.02831452 . . . . . . . 191 PHE CA . 53128 1 381 . 1 . 1 92 92 PHE CB C 13 42.39964769 0.005637524988 . . . . . . . 191 PHE CB . 53128 1 382 . 1 . 1 92 92 PHE N N 15 114.3356657 0.07235089651 . . . . . . . 191 PHE N . 53128 1 383 . 1 . 1 93 93 SER H H 1 9.8585039 0.004472617916 . . . . . . . 192 SER H . 53128 1 384 . 1 . 1 93 93 SER C C 13 171.9231044 0.004138066598 . . . . . . . 192 SER C . 53128 1 385 . 1 . 1 93 93 SER CA C 13 56.51476412 0.01853073002 . . . . . . . 192 SER CA . 53128 1 386 . 1 . 1 93 93 SER CB C 13 66.62699076 0.001458775099 . . . . . . . 192 SER CB . 53128 1 387 . 1 . 1 93 93 SER N N 15 114.2611661 0.04581661186 . . . . . . . 192 SER N . 53128 1 388 . 1 . 1 94 94 LEU H H 1 9.179564887 0.01076582379 . . . . . . . 193 LEU H . 53128 1 389 . 1 . 1 94 94 LEU C C 13 177.5674299 0.007228847041 . . . . . . . 193 LEU C . 53128 1 390 . 1 . 1 94 94 LEU CA C 13 51.961058 0.003769750024 . . . . . . . 193 LEU CA . 53128 1 391 . 1 . 1 94 94 LEU CB C 13 41.94849154 0.000041 . . . . . . . 193 LEU CB . 53128 1 392 . 1 . 1 94 94 LEU N N 15 120.3827335 0.05177965315 . . . . . . . 193 LEU N . 53128 1 393 . 1 . 1 95 95 ASP H H 1 10.04560491 0.002404035727 . . . . . . . 194 ASP H . 53128 1 394 . 1 . 1 95 95 ASP C C 13 176.1937261 0.02682532277 . . . . . . . 194 ASP C . 53128 1 395 . 1 . 1 95 95 ASP CA C 13 56.61945496 . . . . . . . . 194 ASP CA . 53128 1 396 . 1 . 1 95 95 ASP CB C 13 39.11988932 . . . . . . . . 194 ASP CB . 53128 1 397 . 1 . 1 95 95 ASP N N 15 124.696243 0.01095790689 . . . . . . . 194 ASP N . 53128 1 398 . 1 . 1 96 96 ASN H H 1 8.444861054 0.003631760832 . . . . . . . 195 ASN H . 53128 1 399 . 1 . 1 96 96 ASN C C 13 175.1948985 0.00445649957 . . . . . . . 195 ASN C . 53128 1 400 . 1 . 1 96 96 ASN CA C 13 52.64823711 0.007484024989 . . . . . . . 195 ASN CA . 53128 1 401 . 1 . 1 96 96 ASN CB C 13 37.13833053 0.05649986 . . . . . . . 195 ASN CB . 53128 1 402 . 1 . 1 96 96 ASN N N 15 123.3536899 0.0870529835 . . . . . . . 195 ASN N . 53128 1 403 . 1 . 1 97 97 GLY H H 1 8.696298616 0.004030763316 . . . . . . . 196 GLY H . 53128 1 404 . 1 . 1 97 97 GLY C C 13 173.1635757 . . . . . . . . 196 GLY C . 53128 1 405 . 1 . 1 97 97 GLY CA C 13 44.21031482 0.0008305450738 . . . . . . . 196 GLY CA . 53128 1 406 . 1 . 1 97 97 GLY N N 15 107.0369698 0.02852488855 . . . . . . . 196 GLY N . 53128 1 407 . 1 . 1 98 98 ASP H H 1 7.976873884 0.002674006283 . . . . . . . 197 ASP H . 53128 1 408 . 1 . 1 98 98 ASP C C 13 174.9504742 0.007058764617 . . . . . . . 197 ASP C . 53128 1 409 . 1 . 1 98 98 ASP CA C 13 53.08570028 0.005092695009 . . . . . . . 197 ASP CA . 53128 1 410 . 1 . 1 98 98 ASP CB C 13 41.40137895 0.003313060046 . . . . . . . 197 ASP CB . 53128 1 411 . 1 . 1 98 98 ASP N N 15 115.8674272 0.01790376312 . . . . . . . 197 ASP N . 53128 1 412 . 1 . 1 99 99 LEU H H 1 7.071358821 0.00496861273 . . . . . . . 198 LEU H . 53128 1 413 . 1 . 1 99 99 LEU C C 13 176.2419478 0.007575800289 . . . . . . . 198 LEU C . 53128 1 414 . 1 . 1 99 99 LEU CA C 13 54.93126055 0.13097649 . . . . . . . 198 LEU CA . 53128 1 415 . 1 . 1 99 99 LEU CB C 13 40.28444259 0.005714275011 . . . . . . . 198 LEU CB . 53128 1 416 . 1 . 1 99 99 LEU N N 15 119.9656555 0.02006857912 . . . . . . . 198 LEU N . 53128 1 417 . 1 . 1 100 100 ARG H H 1 8.894059067 0.0004992124104 . . . . . . . 199 ARG H . 53128 1 418 . 1 . 1 100 100 ARG C C 13 174.4256607 0.007450550064 . . . . . . . 199 ARG C . 53128 1 419 . 1 . 1 100 100 ARG CA C 13 53.53879031 0.003417924978 . . . . . . . 199 ARG CA . 53128 1 420 . 1 . 1 100 100 ARG CB C 13 27.92905154 0.009498460003 . . . . . . . 199 ARG CB . 53128 1 421 . 1 . 1 100 100 ARG N N 15 128.3098429 0.01766140589 . . . . . . . 199 ARG N . 53128 1 422 . 1 . 1 101 101 SER H H 1 8.143105438 0.003048382383 . . . . . . . 200 SER H . 53128 1 423 . 1 . 1 101 101 SER C C 13 177.9605865 0.02722425005 . . . . . . . 200 SER C . 53128 1 424 . 1 . 1 101 101 SER CA C 13 58.00449665 0.01280962001 . . . . . . . 200 SER CA . 53128 1 425 . 1 . 1 101 101 SER CB C 13 62.87977433 0.01785994501 . . . . . . . 200 SER CB . 53128 1 426 . 1 . 1 101 101 SER N N 15 115.759362 0.05303136698 . . . . . . . 200 SER N . 53128 1 427 . 1 . 1 102 102 TYR H H 1 8.15305902 0.001485355273 . . . . . . . 201 TYR H . 53128 1 428 . 1 . 1 102 102 TYR C C 13 176.9879608 0.01150110033 . . . . . . . 201 TYR C . 53128 1 429 . 1 . 1 102 102 TYR CA C 13 59.71994289 0.004644744975 . . . . . . . 201 TYR CA . 53128 1 430 . 1 . 1 102 102 TYR CB C 13 37.48998466 0.023589605 . . . . . . . 201 TYR CB . 53128 1 431 . 1 . 1 102 102 TYR N N 15 125.1645581 0.01020121224 . . . . . . . 201 TYR N . 53128 1 432 . 1 . 1 103 103 GLN H H 1 8.086307518 0.003456519542 . . . . . . . 202 GLN H . 53128 1 433 . 1 . 1 103 103 GLN C C 13 175.8677267 0.006220371561 . . . . . . . 202 GLN C . 53128 1 434 . 1 . 1 103 103 GLN CA C 13 55.36799804 0.002360559993 . . . . . . . 202 GLN CA . 53128 1 435 . 1 . 1 103 103 GLN CB C 13 28.2234049 0.007551655005 . . . . . . . 202 GLN CB . 53128 1 436 . 1 . 1 103 103 GLN N N 15 113.093579 0.06057046716 . . . . . . . 202 GLN N . 53128 1 437 . 1 . 1 104 104 ASP H H 1 6.863339169 0.002513282789 . . . . . . . 203 ASP H . 53128 1 438 . 1 . 1 104 104 ASP C C 13 176.2148434 . . . . . . . . 203 ASP C . 53128 1 439 . 1 . 1 104 104 ASP CA C 13 51.09425398 . . . . . . . . 203 ASP CA . 53128 1 440 . 1 . 1 104 104 ASP CB C 13 41.45756726 . . . . . . . . 203 ASP CB . 53128 1 441 . 1 . 1 104 104 ASP N N 15 120.982971 0.01133452385 . . . . . . . 203 ASP N . 53128 1 442 . 1 . 1 105 105 PRO C C 13 178.9208765 . . . . . . . . 204 PRO C . 53128 1 443 . 1 . 1 105 105 PRO CA C 13 64.65044896 . . . . . . . . 204 PRO CA . 53128 1 444 . 1 . 1 105 105 PRO CB C 13 31.18938367 . . . . . . . . 204 PRO CB . 53128 1 445 . 1 . 1 106 106 SER H H 1 8.702167359 0.000620782155 . . . . . . . 205 SER H . 53128 1 446 . 1 . 1 106 106 SER CA C 13 60.74488443 . . . . . . . . 205 SER CA . 53128 1 447 . 1 . 1 106 106 SER CB C 13 61.78649462 . . . . . . . . 205 SER CB . 53128 1 448 . 1 . 1 106 106 SER N N 15 114.791811 0.0134636047 . . . . . . . 205 SER N . 53128 1 449 . 1 . 1 107 107 ASN H H 1 8.122267894 0.007896630388 . . . . . . . 206 ASN H . 53128 1 450 . 1 . 1 107 107 ASN C C 13 175.6375827 0.01709594979 . . . . . . . 206 ASN C . 53128 1 451 . 1 . 1 107 107 ASN CA C 13 53.51603505 0.05210169 . . . . . . . 206 ASN CA . 53128 1 452 . 1 . 1 107 107 ASN CB C 13 38.49204137 0.005837370028 . . . . . . . 206 ASN CB . 53128 1 453 . 1 . 1 107 107 ASN N N 15 118.8310347 0.05291192395 . . . . . . . 206 ASN N . 53128 1 454 . 1 . 1 108 108 ALA H H 1 7.831704735 0.002653156452 . . . . . . . 207 ALA H . 53128 1 455 . 1 . 1 108 108 ALA C C 13 180.3274668 0.02206006372 . . . . . . . 207 ALA C . 53128 1 456 . 1 . 1 108 108 ALA CA C 13 55.68779092 0.01502200001 . . . . . . . 207 ALA CA . 53128 1 457 . 1 . 1 108 108 ALA CB C 13 17.60276172 0.0002705150614 . . . . . . . 207 ALA CB . 53128 1 458 . 1 . 1 108 108 ALA N N 15 123.3087214 0.02519086355 . . . . . . . 207 ALA N . 53128 1 459 . 1 . 1 109 109 GLN H H 1 8.38422953 0.003336360081 . . . . . . . 208 GLN H . 53128 1 460 . 1 . 1 109 109 GLN C C 13 178.4172551 . . . . . . . . 208 GLN C . 53128 1 461 . 1 . 1 109 109 GLN CA C 13 58.65985174 . . . . . . . . 208 GLN CA . 53128 1 462 . 1 . 1 109 109 GLN CB C 13 27.14217208 . . . . . . . . 208 GLN CB . 53128 1 463 . 1 . 1 109 109 GLN N N 15 117.4862682 0.02630010727 . . . . . . . 208 GLN N . 53128 1 464 . 1 . 1 110 110 PHE C C 13 178.0983511 . . . . . . . . 209 PHE C . 53128 1 465 . 1 . 1 110 110 PHE CA C 13 59.61088276 . . . . . . . . 209 PHE CA . 53128 1 466 . 1 . 1 111 111 LEU H H 1 7.872494058 0.002456098468 . . . . . . . 210 LEU H . 53128 1 467 . 1 . 1 111 111 LEU C C 13 178.7586381 . . . . . . . . 210 LEU C . 53128 1 468 . 1 . 1 111 111 LEU CA C 13 56.79059549 0.06807011501 . . . . . . . 210 LEU CA . 53128 1 469 . 1 . 1 111 111 LEU CB C 13 40.42789511 0.159668285 . . . . . . . 210 LEU CB . 53128 1 470 . 1 . 1 111 111 LEU N N 15 116.8257912 0.03748152589 . . . . . . . 210 LEU N . 53128 1 471 . 1 . 1 112 112 GLU H H 1 8.319917764 0.001061500141 . . . . . . . 211 GLU H . 53128 1 472 . 1 . 1 112 112 GLU C C 13 178.8381445 . . . . . . . . 211 GLU C . 53128 1 473 . 1 . 1 112 112 GLU CA C 13 58.39179923 0.00909647998 . . . . . . . 211 GLU CA . 53128 1 474 . 1 . 1 112 112 GLU CB C 13 28.05397219 0.05002115 . . . . . . . 211 GLU CB . 53128 1 475 . 1 . 1 112 112 GLU N N 15 119.7908031 0.005602823055 . . . . . . . 211 GLU N . 53128 1 476 . 1 . 1 113 113 SER H H 1 7.837482568 0.001229345236 . . . . . . . 212 SER H . 53128 1 477 . 1 . 1 113 113 SER C C 13 175.839366 . . . . . . . . 212 SER C . 53128 1 478 . 1 . 1 113 113 SER CA C 13 62.7837721 0.12115015 . . . . . . . 212 SER CA . 53128 1 479 . 1 . 1 113 113 SER CB C 13 61.64138063 0.03852726 . . . . . . . 212 SER CB . 53128 1 480 . 1 . 1 113 113 SER N N 15 114.8134173 0.004599873258 . . . . . . . 212 SER N . 53128 1 481 . 1 . 1 114 114 ILE H H 1 7.276034466 0.00308615948 . . . . . . . 213 ILE H . 53128 1 482 . 1 . 1 114 114 ILE C C 13 179.6518809 . . . . . . . . 213 ILE C . 53128 1 483 . 1 . 1 114 114 ILE CA C 13 62.66262195 . . . . . . . . 213 ILE CA . 53128 1 484 . 1 . 1 114 114 ILE CB C 13 34.70138689 . . . . . . . . 213 ILE CB . 53128 1 485 . 1 . 1 114 114 ILE N N 15 119.4729551 0.01729817926 . . . . . . . 213 ILE N . 53128 1 486 . 1 . 1 115 115 ARG C C 13 177.3030994 . . . . . . . . 214 ARG C . 53128 1 487 . 1 . 1 115 115 ARG CA C 13 58.67839577 . . . . . . . . 214 ARG CA . 53128 1 488 . 1 . 1 116 116 ARG H H 1 7.33791422 0.003240077601 . . . . . . . 215 ARG H . 53128 1 489 . 1 . 1 116 116 ARG C C 13 176.099696 0.002024334979 . . . . . . . 215 ARG C . 53128 1 490 . 1 . 1 116 116 ARG CA C 13 55.2993565 . . . . . . . . 215 ARG CA . 53128 1 491 . 1 . 1 116 116 ARG CB C 13 29.68464889 . . . . . . . . 215 ARG CB . 53128 1 492 . 1 . 1 116 116 ARG N N 15 114.7639499 0.02450757584 . . . . . . . 215 ARG N . 53128 1 493 . 1 . 1 117 117 GLY H H 1 8.046190652 0.002102675057 . . . . . . . 216 GLY H . 53128 1 494 . 1 . 1 117 117 GLY CA C 13 45.60216461 . . . . . . . . 216 GLY CA . 53128 1 495 . 1 . 1 117 117 GLY N N 15 108.4733581 0.008682895605 . . . . . . . 216 GLY N . 53128 1 496 . 1 . 1 120 120 PRO C C 13 176.8397593 . . . . . . . . 219 PRO C . 53128 1 497 . 1 . 1 120 120 PRO CA C 13 62.19901105 . . . . . . . . 219 PRO CA . 53128 1 498 . 1 . 1 120 120 PRO CB C 13 32.99332436 . . . . . . . . 219 PRO CB . 53128 1 499 . 1 . 1 121 121 ALA H H 1 8.901186813 0.006886751517 . . . . . . . 220 ALA H . 53128 1 500 . 1 . 1 121 121 ALA C C 13 179.9252816 . . . . . . . . 220 ALA C . 53128 1 501 . 1 . 1 121 121 ALA CA C 13 55.19597986 0.13374282 . . . . . . . 220 ALA CA . 53128 1 502 . 1 . 1 121 121 ALA CB C 13 17.14797716 0.024098725 . . . . . . . 220 ALA CB . 53128 1 503 . 1 . 1 121 121 ALA N N 15 128.4058504 0.08757362778 . . . . . . . 220 ALA N . 53128 1 504 . 1 . 1 122 122 GLU H H 1 9.185272475 0.005238885556 . . . . . . . 221 GLU H . 53128 1 505 . 1 . 1 122 122 GLU C C 13 177.8604532 0.005205449704 . . . . . . . 221 GLU C . 53128 1 506 . 1 . 1 122 122 GLU CA C 13 58.5409041 0.0009464248252 . . . . . . . 221 GLU CA . 53128 1 507 . 1 . 1 122 122 GLU CB C 13 29.31763767 0.001893609993 . . . . . . . 221 GLU CB . 53128 1 508 . 1 . 1 122 122 GLU N N 15 114.9851054 0.07297052952 . . . . . . . 221 GLU N . 53128 1 509 . 1 . 1 123 123 LEU H H 1 7.283596675 0.0005927841676 . . . . . . . 222 LEU H . 53128 1 510 . 1 . 1 123 123 LEU C C 13 177.9254717 0.02291590728 . . . . . . . 222 LEU C . 53128 1 511 . 1 . 1 123 123 LEU CA C 13 55.00585572 0.007190710037 . . . . . . . 222 LEU CA . 53128 1 512 . 1 . 1 123 123 LEU CB C 13 40.37718551 0.002192999907 . . . . . . . 222 LEU CB . 53128 1 513 . 1 . 1 123 123 LEU N N 15 115.1379086 0.01408442967 . . . . . . . 222 LEU N . 53128 1 514 . 1 . 1 124 124 ARG H H 1 7.554077672 0.003414014829 . . . . . . . 223 ARG H . 53128 1 515 . 1 . 1 124 124 ARG C C 13 179.2664982 0.007339296616 . . . . . . . 223 ARG C . 53128 1 516 . 1 . 1 124 124 ARG CA C 13 58.87037894 0.01557633003 . . . . . . . 223 ARG CA . 53128 1 517 . 1 . 1 124 124 ARG CB C 13 28.55701651 . . . . . . . . 223 ARG CB . 53128 1 518 . 1 . 1 124 124 ARG N N 15 118.6007531 0.09813989384 . . . . . . . 223 ARG N . 53128 1 519 . 1 . 1 125 125 ARG H H 1 7.835206701 0.00805929871 . . . . . . . 224 ARG H . 53128 1 520 . 1 . 1 125 125 ARG C C 13 178.1613244 0.009297944281 . . . . . . . 224 ARG C . 53128 1 521 . 1 . 1 125 125 ARG CA C 13 57.8206225 0.004250365037 . . . . . . . 224 ARG CA . 53128 1 522 . 1 . 1 125 125 ARG CB C 13 28.89845333 0.041981655 . . . . . . . 224 ARG CB . 53128 1 523 . 1 . 1 125 125 ARG N N 15 116.276803 0.05079972236 . . . . . . . 224 ARG N . 53128 1 524 . 1 . 1 126 126 LEU H H 1 7.267899139 0.004577453792 . . . . . . . 225 LEU H . 53128 1 525 . 1 . 1 126 126 LEU C C 13 177.2052905 0.009985708047 . . . . . . . 225 LEU C . 53128 1 526 . 1 . 1 126 126 LEU CA C 13 55.71702983 0.00230584507 . . . . . . . 225 LEU CA . 53128 1 527 . 1 . 1 126 126 LEU CB C 13 41.0342036 0.009729455006 . . . . . . . 225 LEU CB . 53128 1 528 . 1 . 1 126 126 LEU N N 15 118.7733112 0.02391628326 . . . . . . . 225 LEU N . 53128 1 529 . 1 . 1 127 127 ALA H H 1 7.197012353 0.009849614579 . . . . . . . 226 ALA H . 53128 1 530 . 1 . 1 127 127 ALA C C 13 177.6491813 0.01237220021 . . . . . . . 226 ALA C . 53128 1 531 . 1 . 1 127 127 ALA CA C 13 51.4988487 0.002004554903 . . . . . . . 226 ALA CA . 53128 1 532 . 1 . 1 127 127 ALA CB C 13 18.50732932 0.001302430006 . . . . . . . 226 ALA CB . 53128 1 533 . 1 . 1 127 127 ALA N N 15 118.2789939 0.02740318949 . . . . . . . 226 ALA N . 53128 1 534 . 1 . 1 128 128 HIS H H 1 7.99453029 0.004735969657 . . . . . . . 227 HIS H . 53128 1 535 . 1 . 1 128 128 HIS C C 13 175.1937087 0.009873010443 . . . . . . . 227 HIS C . 53128 1 536 . 1 . 1 128 128 HIS CA C 13 55.85891548 0.02663253 . . . . . . . 227 HIS CA . 53128 1 537 . 1 . 1 128 128 HIS CB C 13 27.48922895 0.03431906 . . . . . . . 227 HIS CB . 53128 1 538 . 1 . 1 128 128 HIS N N 15 117.5757084 0.01135885107 . . . . . . . 227 HIS N . 53128 1 539 . 1 . 1 129 129 GLY H H 1 8.467889336 0.005262443562 . . . . . . . 228 GLY H . 53128 1 540 . 1 . 1 129 129 GLY C C 13 174.7785374 . . . . . . . . 228 GLY C . 53128 1 541 . 1 . 1 129 129 GLY CA C 13 44.74078839 0.02443762499 . . . . . . . 228 GLY CA . 53128 1 542 . 1 . 1 129 129 GLY N N 15 107.3424942 0.06546777964 . . . . . . . 228 GLY N . 53128 1 543 . 1 . 1 130 130 GLY H H 1 7.589591395 0.003005828124 . . . . . . . 229 GLY H . 53128 1 544 . 1 . 1 130 130 GLY C C 13 172.4018544 . . . . . . . . 229 GLY C . 53128 1 545 . 1 . 1 130 130 GLY CA C 13 43.59374192 0.006111684991 . . . . . . . 229 GLY CA . 53128 1 546 . 1 . 1 130 130 GLY N N 15 107.7065987 0.07887463833 . . . . . . . 229 GLY N . 53128 1 547 . 1 . 1 131 131 GLN H H 1 8.411750026 0.002740096804 . . . . . . . 230 GLN H . 53128 1 548 . 1 . 1 131 131 GLN C C 13 174.9334386 0.01204439405 . . . . . . . 230 GLN C . 53128 1 549 . 1 . 1 131 131 GLN CA C 13 54.6131166 0.01783961894 . . . . . . . 230 GLN CA . 53128 1 550 . 1 . 1 131 131 GLN CB C 13 29.55387415 0.04788134 . . . . . . . 230 GLN CB . 53128 1 551 . 1 . 1 131 131 GLN N N 15 119.238467 0.0496066838 . . . . . . . 230 GLN N . 53128 1 552 . 1 . 1 132 132 VAL H H 1 8.188925495 0.001702051496 . . . . . . . 231 VAL H . 53128 1 553 . 1 . 1 132 132 VAL C C 13 174.4446698 . . . . . . . . 231 VAL C . 53128 1 554 . 1 . 1 132 132 VAL CA C 13 60.61035362 0.003485554903 . . . . . . . 231 VAL CA . 53128 1 555 . 1 . 1 132 132 VAL CB C 13 32.57874487 . . . . . . . . 231 VAL CB . 53128 1 556 . 1 . 1 132 132 VAL N N 15 121.5885718 0.01118179643 . . . . . . . 231 VAL N . 53128 1 557 . 1 . 1 133 133 ASN H H 1 8.736691136 0.006241503347 . . . . . . . 232 ASN H . 53128 1 558 . 1 . 1 133 133 ASN C C 13 172.3365856 0.01122612114 . . . . . . . 232 ASN C . 53128 1 559 . 1 . 1 133 133 ASN CA C 13 51.83416471 0.004718074991 . . . . . . . 232 ASN CA . 53128 1 560 . 1 . 1 133 133 ASN CB C 13 39.03468741 0.006548615001 . . . . . . . 232 ASN CB . 53128 1 561 . 1 . 1 133 133 ASN N N 15 126.0005579 0.009129640837 . . . . . . . 232 ASN N . 53128 1 562 . 1 . 1 134 134 LEU H H 1 8.576907331 0.004739431027 . . . . . . . 233 LEU H . 53128 1 563 . 1 . 1 134 134 LEU C C 13 174.8162601 0.007477449857 . . . . . . . 233 LEU C . 53128 1 564 . 1 . 1 134 134 LEU CA C 13 53.08474131 . . . . . . . . 233 LEU CA . 53128 1 565 . 1 . 1 134 134 LEU CB C 13 43.83588795 0.001715799973 . . . . . . . 233 LEU CB . 53128 1 566 . 1 . 1 134 134 LEU N N 15 126.1104627 0.03771859852 . . . . . . . 233 LEU N . 53128 1 567 . 1 . 1 135 135 ASP H H 1 8.743076167 0.002377147604 . . . . . . . 234 ASP H . 53128 1 568 . 1 . 1 135 135 ASP C C 13 174.6378737 0.004848700443 . . . . . . . 234 ASP C . 53128 1 569 . 1 . 1 135 135 ASP CA C 13 52.78323291 0.06623544 . . . . . . . 234 ASP CA . 53128 1 570 . 1 . 1 135 135 ASP CB C 13 42.69860718 0.010888505 . . . . . . . 234 ASP CB . 53128 1 571 . 1 . 1 135 135 ASP N N 15 126.9369813 0.02032185131 . . . . . . . 234 ASP N . 53128 1 572 . 1 . 1 136 136 MET H H 1 8.872288639 0.008729778944 . . . . . . . 235 MET H . 53128 1 573 . 1 . 1 136 136 MET C C 13 175.6297283 0.01686391276 . . . . . . . 235 MET C . 53128 1 574 . 1 . 1 136 136 MET CA C 13 54.28973673 . . . . . . . . 235 MET CA . 53128 1 575 . 1 . 1 136 136 MET CB C 13 34.90163258 0.049926925 . . . . . . . 235 MET CB . 53128 1 576 . 1 . 1 136 136 MET N N 15 120.0477863 0.02569308767 . . . . . . . 235 MET N . 53128 1 577 . 1 . 1 137 137 GLU H H 1 9.153581505 0.003666009086 . . . . . . . 236 GLU H . 53128 1 578 . 1 . 1 137 137 GLU C C 13 174.6478406 0.01070474777 . . . . . . . 236 GLU C . 53128 1 579 . 1 . 1 137 137 GLU CA C 13 54.18248776 . . . . . . . . 236 GLU CA . 53128 1 580 . 1 . 1 137 137 GLU CB C 13 32.86239917 0.001694524959 . . . . . . . 236 GLU CB . 53128 1 581 . 1 . 1 137 137 GLU N N 15 122.3900945 0.01212178011 . . . . . . . 236 GLU N . 53128 1 582 . 1 . 1 138 138 ASP H H 1 8.844823368 0.00332310734 . . . . . . . 237 ASP H . 53128 1 583 . 1 . 1 138 138 ASP C C 13 175.1898316 0.02953375005 . . . . . . . 237 ASP C . 53128 1 584 . 1 . 1 138 138 ASP CA C 13 53.93238657 . . . . . . . . 237 ASP CA . 53128 1 585 . 1 . 1 138 138 ASP CB C 13 40.06192339 0.002215799937 . . . . . . . 237 ASP CB . 53128 1 586 . 1 . 1 138 138 ASP N N 15 125.0879389 0.01974711219 . . . . . . . 237 ASP N . 53128 1 587 . 1 . 1 139 139 HIS H H 1 8.553291517 0.001945190246 . . . . . . . 238 HIS H . 53128 1 588 . 1 . 1 139 139 HIS C C 13 177.7357802 0.002295698316 . . . . . . . 238 HIS C . 53128 1 589 . 1 . 1 139 139 HIS CA C 13 53.78906931 0.01246501501 . . . . . . . 238 HIS CA . 53128 1 590 . 1 . 1 139 139 HIS CB C 13 28.09106177 0.022250705 . . . . . . . 238 HIS CB . 53128 1 591 . 1 . 1 139 139 HIS N N 15 127.5398516 0.00710357731 . . . . . . . 238 HIS N . 53128 1 592 . 1 . 1 140 140 ARG H H 1 7.87747519 0.004800089905 . . . . . . . 239 ARG H . 53128 1 593 . 1 . 1 140 140 ARG C C 13 175.8377688 0.01349790025 . . . . . . . 239 ARG C . 53128 1 594 . 1 . 1 140 140 ARG CA C 13 59.8151368 0.003167924999 . . . . . . . 239 ARG CA . 53128 1 595 . 1 . 1 140 140 ARG CB C 13 29.56188325 0.0207811 . . . . . . . 239 ARG CB . 53128 1 596 . 1 . 1 140 140 ARG N N 15 115.8501241 0.05725930604 . . . . . . . 239 ARG N . 53128 1 597 . 1 . 1 141 141 ASP H H 1 8.410160726 0.003880074606 . . . . . . . 240 ASP H . 53128 1 598 . 1 . 1 141 141 ASP C C 13 176.0554001 0.01222153964 . . . . . . . 240 ASP C . 53128 1 599 . 1 . 1 141 141 ASP CA C 13 53.259655 0.01737154 . . . . . . . 240 ASP CA . 53128 1 600 . 1 . 1 141 141 ASP CB C 13 40.35630867 0.033516635 . . . . . . . 240 ASP CB . 53128 1 601 . 1 . 1 141 141 ASP N N 15 116.0398719 0.04235729299 . . . . . . . 240 ASP N . 53128 1 602 . 1 . 1 142 142 GLU H H 1 8.570259823 0.00307324762 . . . . . . . 241 GLU H . 53128 1 603 . 1 . 1 142 142 GLU C C 13 175.3671046 0.02279673363 . . . . . . . 241 GLU C . 53128 1 604 . 1 . 1 142 142 GLU CA C 13 54.79360323 0.005392085 . . . . . . . 241 GLU CA . 53128 1 605 . 1 . 1 142 142 GLU CB C 13 32.47947309 0.004095734973 . . . . . . . 241 GLU CB . 53128 1 606 . 1 . 1 142 142 GLU N N 15 120.9939226 0.02027572566 . . . . . . . 241 GLU N . 53128 1 607 . 1 . 1 143 143 ASP H H 1 8.452025076 0.001949120056 . . . . . . . 242 ASP H . 53128 1 608 . 1 . 1 143 143 ASP C C 13 177.3063304 0.002115800784 . . . . . . . 242 ASP C . 53128 1 609 . 1 . 1 143 143 ASP CA C 13 53.76997969 0.001282669975 . . . . . . . 242 ASP CA . 53128 1 610 . 1 . 1 143 143 ASP CB C 13 41.1288994 0.04334336 . . . . . . . 242 ASP CB . 53128 1 611 . 1 . 1 143 143 ASP N N 15 121.1023001 0.0400225959 . . . . . . . 242 ASP N . 53128 1 612 . 1 . 1 144 144 PHE H H 1 7.923105243 0.004371556236 . . . . . . . 243 PHE H . 53128 1 613 . 1 . 1 144 144 PHE C C 13 174.205917 0.008309825053 . . . . . . . 243 PHE C . 53128 1 614 . 1 . 1 144 144 PHE CA C 13 58.52395886 0.03109072499 . . . . . . . 243 PHE CA . 53128 1 615 . 1 . 1 144 144 PHE CB C 13 39.00506439 0.028208135 . . . . . . . 243 PHE CB . 53128 1 616 . 1 . 1 144 144 PHE N N 15 120.7820972 0.0269768443 . . . . . . . 243 PHE N . 53128 1 617 . 1 . 1 145 145 VAL H H 1 5.420924101 0.005409776405 . . . . . . . 244 VAL H . 53128 1 618 . 1 . 1 145 145 VAL C C 13 173.3489169 0.006761308512 . . . . . . . 244 VAL C . 53128 1 619 . 1 . 1 145 145 VAL CA C 13 59.9019865 0.01016524999 . . . . . . . 244 VAL CA . 53128 1 620 . 1 . 1 145 145 VAL CB C 13 32.6886914 0.0170805 . . . . . . . 244 VAL CB . 53128 1 621 . 1 . 1 145 145 VAL N N 15 126.3705227 0.03592245396 . . . . . . . 244 VAL N . 53128 1 622 . 1 . 1 146 146 LYS H H 1 7.833124498 0.006602584958 . . . . . . . 245 LYS H . 53128 1 623 . 1 . 1 146 146 LYS C C 13 174.4377388 . . . . . . . . 245 LYS C . 53128 1 624 . 1 . 1 146 146 LYS CA C 13 53.66041158 . . . . . . . . 245 LYS CA . 53128 1 625 . 1 . 1 146 146 LYS CB C 13 31.48793306 . . . . . . . . 245 LYS CB . 53128 1 626 . 1 . 1 146 146 LYS N N 15 126.2927688 0.02028259407 . . . . . . . 245 LYS N . 53128 1 627 . 1 . 1 147 147 PRO C C 13 174.9139126 0.04654420002 . . . . . . . 246 PRO C . 53128 1 628 . 1 . 1 147 147 PRO CA C 13 62.39964162 . . . . . . . . 246 PRO CA . 53128 1 629 . 1 . 1 147 147 PRO CB C 13 31.2069227 . . . . . . . . 246 PRO CB . 53128 1 630 . 1 . 1 148 148 LYS H H 1 8.322693596 0.003063240918 . . . . . . . 247 LYS H . 53128 1 631 . 1 . 1 148 148 LYS C C 13 177.2243078 0.00148418934 . . . . . . . 247 LYS C . 53128 1 632 . 1 . 1 148 148 LYS CA C 13 55.95681986 0.02882972877 . . . . . . . 247 LYS CA . 53128 1 633 . 1 . 1 148 148 LYS CB C 13 32.0023679 0.02680086662 . . . . . . . 247 LYS CB . 53128 1 634 . 1 . 1 148 148 LYS N N 15 121.6132973 0.03922802725 . . . . . . . 247 LYS N . 53128 1 635 . 1 . 1 149 149 GLY H H 1 8.242616994 0.002353352725 . . . . . . . 248 GLY H . 53128 1 636 . 1 . 1 149 149 GLY C C 13 173.4565455 . . . . . . . . 248 GLY C . 53128 1 637 . 1 . 1 149 149 GLY CA C 13 44.52785808 0.01064815001 . . . . . . . 248 GLY CA . 53128 1 638 . 1 . 1 149 149 GLY N N 15 109.3124671 0.004125032682 . . . . . . . 248 GLY N . 53128 1 639 . 1 . 1 150 150 ALA H H 1 8.022698576 0.01163064663 . . . . . . . 249 ALA H . 53128 1 640 . 1 . 1 150 150 ALA C C 13 177.2575076 0.02717579161 . . . . . . . 249 ALA C . 53128 1 641 . 1 . 1 150 150 ALA CA C 13 51.62652998 0.01122869499 . . . . . . . 249 ALA CA . 53128 1 642 . 1 . 1 150 150 ALA CB C 13 18.38460775 0.009252255 . . . . . . . 249 ALA CB . 53128 1 643 . 1 . 1 150 150 ALA N N 15 123.3317875 0.07806984782 . . . . . . . 249 ALA N . 53128 1 644 . 1 . 1 151 151 PHE H H 1 8.098459362 0.002685776923 . . . . . . . 250 PHE H . 53128 1 645 . 1 . 1 151 151 PHE C C 13 175.3045107 0.02704115008 . . . . . . . 250 PHE C . 53128 1 646 . 1 . 1 151 151 PHE CA C 13 57.21382731 0.006690709996 . . . . . . . 250 PHE CA . 53128 1 647 . 1 . 1 151 151 PHE CB C 13 38.77986891 0.002844974968 . . . . . . . 250 PHE CB . 53128 1 648 . 1 . 1 151 151 PHE N N 15 119.6886994 0.06486429885 . . . . . . . 250 PHE N . 53128 1 649 . 1 . 1 152 152 LYS H H 1 8.022762745 0.002179812412 . . . . . . . 251 LYS H . 53128 1 650 . 1 . 1 152 152 LYS C C 13 175.2645853 0.01126509975 . . . . . . . 251 LYS C . 53128 1 651 . 1 . 1 152 152 LYS CA C 13 55.24752837 0.001507595012 . . . . . . . 251 LYS CA . 53128 1 652 . 1 . 1 152 152 LYS CB C 13 32.1900179 0.0009863197672 . . . . . . . 251 LYS CB . 53128 1 653 . 1 . 1 152 152 LYS N N 15 123.8918256 0.01857826655 . . . . . . . 251 LYS N . 53128 1 654 . 1 . 1 153 153 ALA H H 1 8.069932194 0.00452600419 . . . . . . . 252 ALA H . 53128 1 655 . 1 . 1 153 153 ALA C C 13 177.1712916 0.01437861342 . . . . . . . 252 ALA C . 53128 1 656 . 1 . 1 153 153 ALA CA C 13 51.73721359 0.0008487848752 . . . . . . . 252 ALA CA . 53128 1 657 . 1 . 1 153 153 ALA CB C 13 18.41538883 0.012537965 . . . . . . . 252 ALA CB . 53128 1 658 . 1 . 1 153 153 ALA N N 15 125.1417132 0.03277613999 . . . . . . . 252 ALA N . 53128 1 659 . 1 . 1 154 154 PHE H H 1 8.210494816 0.003838403682 . . . . . . . 253 PHE H . 53128 1 660 . 1 . 1 154 154 PHE C C 13 175.9627261 0.006756907107 . . . . . . . 253 PHE C . 53128 1 661 . 1 . 1 154 154 PHE CA C 13 57.16569445 0.01126364999 . . . . . . . 253 PHE CA . 53128 1 662 . 1 . 1 154 154 PHE CB C 13 38.65418078 0.007451349982 . . . . . . . 253 PHE CB . 53128 1 663 . 1 . 1 154 154 PHE N N 15 119.4913395 0.02293474282 . . . . . . . 253 PHE N . 53128 1 664 . 1 . 1 155 155 THR H H 1 8.047735093 0.003530073378 . . . . . . . 254 THR H . 53128 1 665 . 1 . 1 155 155 THR C C 13 174.7484309 . . . . . . . . 254 THR C . 53128 1 666 . 1 . 1 155 155 THR CA C 13 61.0244882 0.003503409991 . . . . . . . 254 THR CA . 53128 1 667 . 1 . 1 155 155 THR CB C 13 69.24777921 0.0004650450797 . . . . . . . 254 THR CB . 53128 1 668 . 1 . 1 155 155 THR N N 15 115.4023498 0.04559340032 . . . . . . . 254 THR N . 53128 1 669 . 1 . 1 156 156 GLY H H 1 7.689876359 0.004137110355 . . . . . . . 255 GLY H . 53128 1 670 . 1 . 1 156 156 GLY C C 13 174.0229536 . . . . . . . . 255 GLY C . 53128 1 671 . 1 . 1 156 156 GLY CA C 13 44.78571305 0.003110175071 . . . . . . . 255 GLY CA . 53128 1 672 . 1 . 1 156 156 GLY N N 15 109.9553769 0.06542420253 . . . . . . . 255 GLY N . 53128 1 673 . 1 . 1 157 157 GLU H H 1 8.237470085 0.003754979406 . . . . . . . 256 GLU H . 53128 1 674 . 1 . 1 157 157 GLU C C 13 177.1648362 0.01261889978 . . . . . . . 256 GLU C . 53128 1 675 . 1 . 1 157 157 GLU CA C 13 56.24947794 0.002047109959 . . . . . . . 256 GLU CA . 53128 1 676 . 1 . 1 157 157 GLU CB C 13 29.34688988 0.009203624998 . . . . . . . 256 GLU CB . 53128 1 677 . 1 . 1 157 157 GLU N N 15 120.4715682 0.02380881045 . . . . . . . 256 GLU N . 53128 1 678 . 1 . 1 158 158 GLY H H 1 8.443012089 0.0007796713507 . . . . . . . 257 GLY H . 53128 1 679 . 1 . 1 158 158 GLY CA C 13 44.83281857 0.009664090012 . . . . . . . 257 GLY CA . 53128 1 680 . 1 . 1 158 158 GLY N N 15 109.6417165 0.004198425725 . . . . . . . 257 GLY N . 53128 1 681 . 1 . 1 159 159 GLN H H 1 8.09300381 0.0005354780839 . . . . . . . 258 GLN H . 53128 1 682 . 1 . 1 159 159 GLN CA C 13 55.27852097 . . . . . . . . 258 GLN CA . 53128 1 683 . 1 . 1 159 159 GLN CB C 13 28.60997758 0.01777489341 . . . . . . . 258 GLN CB . 53128 1 684 . 1 . 1 159 159 GLN N N 15 119.5171616 0.03450284622 . . . . . . . 258 GLN N . 53128 1 685 . 1 . 1 160 160 LYS H H 1 8.288921998 0.0009309708828 . . . . . . . 259 LYS H . 53128 1 686 . 1 . 1 160 160 LYS CA C 13 55.89497774 . . . . . . . . 259 LYS CA . 53128 1 687 . 1 . 1 160 160 LYS CB C 13 31.74155443 . . . . . . . . 259 LYS CB . 53128 1 688 . 1 . 1 160 160 LYS N N 15 122.4774414 0.005300602495 . . . . . . . 259 LYS N . 53128 1 689 . 1 . 1 161 161 LEU C C 13 177.0893702 . . . . . . . . 260 LEU C . 53128 1 690 . 1 . 1 161 161 LEU CA C 13 54.42265876 . . . . . . . . 260 LEU CA . 53128 1 691 . 1 . 1 161 161 LEU CB C 13 41.84817378 . . . . . . . . 260 LEU CB . 53128 1 692 . 1 . 1 162 162 GLY H H 1 8.39006111 0.00472829278 . . . . . . . 261 GLY H . 53128 1 693 . 1 . 1 162 162 GLY C C 13 174.1258071 . . . . . . . . 261 GLY C . 53128 1 694 . 1 . 1 162 162 GLY CA C 13 44.65914689 0.04727684 . . . . . . . 261 GLY CA . 53128 1 695 . 1 . 1 162 162 GLY N N 15 109.6110183 0.02894625763 . . . . . . . 261 GLY N . 53128 1 696 . 1 . 1 163 163 SER H H 1 8.115589824 0.00187990027 . . . . . . . 262 SER H . 53128 1 697 . 1 . 1 163 163 SER C C 13 174.7501967 . . . . . . . . 262 SER C . 53128 1 698 . 1 . 1 163 163 SER CA C 13 57.75562915 0.054768885 . . . . . . . 262 SER CA . 53128 1 699 . 1 . 1 163 163 SER CB C 13 63.20110499 0.024906075 . . . . . . . 262 SER CB . 53128 1 700 . 1 . 1 163 163 SER N N 15 115.1143241 0.02267612886 . . . . . . . 262 SER N . 53128 1 701 . 1 . 1 164 164 THR H H 1 8.147541751 0.001557314525 . . . . . . . 263 THR H . 53128 1 702 . 1 . 1 164 164 THR C C 13 173.9326229 0.002628250287 . . . . . . . 263 THR C . 53128 1 703 . 1 . 1 164 164 THR CA C 13 61.10486072 0 . . . . . . . 263 THR CA . 53128 1 704 . 1 . 1 164 164 THR CB C 13 69.17234171 . . . . . . . . 263 THR CB . 53128 1 705 . 1 . 1 164 164 THR N N 15 115.5969975 0.05744793684 . . . . . . . 263 THR N . 53128 1 706 . 1 . 1 165 165 ALA H H 1 8.186348354 0.002592157467 . . . . . . . 264 ALA H . 53128 1 707 . 1 . 1 165 165 ALA C C 13 175.4532271 . . . . . . . . 264 ALA C . 53128 1 708 . 1 . 1 165 165 ALA CA C 13 50.04942381 . . . . . . . . 264 ALA CA . 53128 1 709 . 1 . 1 165 165 ALA CB C 13 17.28150721 . . . . . . . . 264 ALA CB . 53128 1 710 . 1 . 1 165 165 ALA N N 15 127.5923244 0.02488453455 . . . . . . . 264 ALA N . 53128 1 711 . 1 . 1 166 166 PRO C C 13 176.1345323 0.002196599111 . . . . . . . 265 PRO C . 53128 1 712 . 1 . 1 166 166 PRO CA C 13 62.79803574 . . . . . . . . 265 PRO CA . 53128 1 713 . 1 . 1 166 166 PRO CB C 13 30.92650592 . . . . . . . . 265 PRO CB . 53128 1 714 . 1 . 1 167 167 GLN H H 1 7.908239911 0.002800134418 . . . . . . . 266 GLN H . 53128 1 715 . 1 . 1 167 167 GLN C C 13 180.5697262 . . . . . . . . 266 GLN C . 53128 1 716 . 1 . 1 167 167 GLN CA C 13 56.72252537 . . . . . . . . 266 GLN CA . 53128 1 717 . 1 . 1 167 167 GLN CB C 13 29.73132355 . . . . . . . . 266 GLN CB . 53128 1 718 . 1 . 1 167 167 GLN N N 15 125.1051285 0.0306503835 . . . . . . . 266 GLN N . 53128 1 stop_ save_