data_52859 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52859 _Entry.Title ; Backbone 1H, 13C and 15N chemical shift assignments for human JIP1 116-266 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-01-15 _Entry.Accession_date 2025-01-15 _Entry.Last_release_date 2025-01-15 _Entry.Original_release_date 2025-01-15 _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 Thibault Orand . . . . 52859 2 Elise Delaforge . . . . 52859 3 Malene Jensen . . . . 52859 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'SIGNAL group, Institute of Structural Biology' . 52859 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52859 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 411 52859 '15N chemical shifts' 124 52859 '1H chemical shifts' 124 52859 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2025-03-29 2025-01-15 update BMRB 'update entry citation' 52859 1 . . 2025-02-10 2025-01-15 original author 'original release' 52859 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52858 'Backbone 1H, 13C and 15N chemical shift assignments for human JIP1 1-145' 52859 BMRB 52860 'Backbone 1H, 13C and 15N chemical shift assignments for human JIP1 245-372' 52859 BMRB 52861 'Backbone 1H, 13C and 15N chemical shift assignments for human JIP1 353-553' 52859 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52859 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39999166 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Bipartite binding of the intrinsically disordered scaffold protein JIP1 to the kinase JNK1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 122 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 e2419915122 _Citation.Page_last e2419915122 _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 Thibault Orand T. . . . 52859 1 2 Elise Delaforge E. . . . 52859 1 3 Alexandra Lee A. . . . 52859 1 4 Jaka Kragelj J. . . . 52859 1 5 Maud Tengo M. . . . 52859 1 6 Laura Tengo L. . . . 52859 1 7 Martin Blackledge M. . . . 52859 1 8 Elisabetta 'Boeri Erba' E. . . . 52859 1 9 Roger Davis R. J. . . 52859 1 10 Andres Palencia A. . . . 52859 1 11 'Malene Ringkjobing' Jensen M. R. . . 52859 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52859 _Assembly.ID 1 _Assembly.Name 'JIP1 116-266' _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 'JIP1 1160266' 1 $entity_1 . . yes native no no . . . 52859 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52859 _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 ; ERAARRPGAGPPKAESGQEP ASRGQGQSQGQSQGPGSGDT YRPKRPTTLNLFPQVPRSQD TLNNNSLGKKHSWQDRVSRS SSPLKTGEQTPPHEHICLSD ELPPQSGPAPTTDRGTSTDS PCRRSTATQMAPPGGPPAAP PGGRGHSHRDR ; _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 151 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q9UQF2 . JIP1 . . . . . . . . . . . . . . 52859 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 1 116 GLU . 52859 1 2 117 ARG . 52859 1 3 118 ALA . 52859 1 4 119 ALA . 52859 1 5 120 ARG . 52859 1 6 121 ARG . 52859 1 7 122 PRO . 52859 1 8 123 GLY . 52859 1 9 124 ALA . 52859 1 10 125 GLY . 52859 1 11 126 PRO . 52859 1 12 127 PRO . 52859 1 13 128 LYS . 52859 1 14 129 ALA . 52859 1 15 130 GLU . 52859 1 16 131 SER . 52859 1 17 132 GLY . 52859 1 18 133 GLN . 52859 1 19 134 GLU . 52859 1 20 135 PRO . 52859 1 21 136 ALA . 52859 1 22 137 SER . 52859 1 23 138 ARG . 52859 1 24 139 GLY . 52859 1 25 140 GLN . 52859 1 26 141 GLY . 52859 1 27 142 GLN . 52859 1 28 143 SER . 52859 1 29 144 GLN . 52859 1 30 145 GLY . 52859 1 31 146 GLN . 52859 1 32 147 SER . 52859 1 33 148 GLN . 52859 1 34 149 GLY . 52859 1 35 150 PRO . 52859 1 36 151 GLY . 52859 1 37 152 SER . 52859 1 38 153 GLY . 52859 1 39 154 ASP . 52859 1 40 155 THR . 52859 1 41 156 TYR . 52859 1 42 157 ARG . 52859 1 43 158 PRO . 52859 1 44 159 LYS . 52859 1 45 160 ARG . 52859 1 46 161 PRO . 52859 1 47 162 THR . 52859 1 48 163 THR . 52859 1 49 164 LEU . 52859 1 50 165 ASN . 52859 1 51 166 LEU . 52859 1 52 167 PHE . 52859 1 53 168 PRO . 52859 1 54 169 GLN . 52859 1 55 170 VAL . 52859 1 56 171 PRO . 52859 1 57 172 ARG . 52859 1 58 173 SER . 52859 1 59 174 GLN . 52859 1 60 175 ASP . 52859 1 61 176 THR . 52859 1 62 177 LEU . 52859 1 63 178 ASN . 52859 1 64 179 ASN . 52859 1 65 180 ASN . 52859 1 66 181 SER . 52859 1 67 182 LEU . 52859 1 68 183 GLY . 52859 1 69 184 LYS . 52859 1 70 185 LYS . 52859 1 71 186 HIS . 52859 1 72 187 SER . 52859 1 73 188 TRP . 52859 1 74 189 GLN . 52859 1 75 190 ASP . 52859 1 76 191 ARG . 52859 1 77 192 VAL . 52859 1 78 193 SER . 52859 1 79 194 ARG . 52859 1 80 195 SER . 52859 1 81 196 SER . 52859 1 82 197 SER . 52859 1 83 198 PRO . 52859 1 84 199 LEU . 52859 1 85 200 LYS . 52859 1 86 201 THR . 52859 1 87 202 GLY . 52859 1 88 203 GLU . 52859 1 89 204 GLN . 52859 1 90 205 THR . 52859 1 91 206 PRO . 52859 1 92 207 PRO . 52859 1 93 208 HIS . 52859 1 94 209 GLU . 52859 1 95 210 HIS . 52859 1 96 211 ILE . 52859 1 97 212 CYS . 52859 1 98 213 LEU . 52859 1 99 214 SER . 52859 1 100 215 ASP . 52859 1 101 216 GLU . 52859 1 102 217 LEU . 52859 1 103 218 PRO . 52859 1 104 219 PRO . 52859 1 105 220 GLN . 52859 1 106 221 SER . 52859 1 107 222 GLY . 52859 1 108 223 PRO . 52859 1 109 224 ALA . 52859 1 110 225 PRO . 52859 1 111 226 THR . 52859 1 112 227 THR . 52859 1 113 228 ASP . 52859 1 114 229 ARG . 52859 1 115 230 GLY . 52859 1 116 231 THR . 52859 1 117 232 SER . 52859 1 118 233 THR . 52859 1 119 234 ASP . 52859 1 120 235 SER . 52859 1 121 236 PRO . 52859 1 122 237 CYS . 52859 1 123 238 ARG . 52859 1 124 239 ARG . 52859 1 125 240 SER . 52859 1 126 241 THR . 52859 1 127 242 ALA . 52859 1 128 243 THR . 52859 1 129 244 GLN . 52859 1 130 245 MET . 52859 1 131 246 ALA . 52859 1 132 247 PRO . 52859 1 133 248 PRO . 52859 1 134 249 GLY . 52859 1 135 250 GLY . 52859 1 136 251 PRO . 52859 1 137 252 PRO . 52859 1 138 253 ALA . 52859 1 139 254 ALA . 52859 1 140 255 PRO . 52859 1 141 256 PRO . 52859 1 142 257 GLY . 52859 1 143 258 GLY . 52859 1 144 259 ARG . 52859 1 145 260 GLY . 52859 1 146 261 HIS . 52859 1 147 262 SER . 52859 1 148 263 HIS . 52859 1 149 264 ARG . 52859 1 150 265 ASP . 52859 1 151 266 ARG . 52859 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 . GLU 1 1 52859 1 . ARG 2 2 52859 1 . ALA 3 3 52859 1 . ALA 4 4 52859 1 . ARG 5 5 52859 1 . ARG 6 6 52859 1 . PRO 7 7 52859 1 . GLY 8 8 52859 1 . ALA 9 9 52859 1 . GLY 10 10 52859 1 . PRO 11 11 52859 1 . PRO 12 12 52859 1 . LYS 13 13 52859 1 . ALA 14 14 52859 1 . GLU 15 15 52859 1 . SER 16 16 52859 1 . GLY 17 17 52859 1 . GLN 18 18 52859 1 . GLU 19 19 52859 1 . PRO 20 20 52859 1 . ALA 21 21 52859 1 . SER 22 22 52859 1 . ARG 23 23 52859 1 . GLY 24 24 52859 1 . GLN 25 25 52859 1 . GLY 26 26 52859 1 . GLN 27 27 52859 1 . SER 28 28 52859 1 . GLN 29 29 52859 1 . GLY 30 30 52859 1 . GLN 31 31 52859 1 . SER 32 32 52859 1 . GLN 33 33 52859 1 . GLY 34 34 52859 1 . PRO 35 35 52859 1 . GLY 36 36 52859 1 . SER 37 37 52859 1 . GLY 38 38 52859 1 . ASP 39 39 52859 1 . THR 40 40 52859 1 . TYR 41 41 52859 1 . ARG 42 42 52859 1 . PRO 43 43 52859 1 . LYS 44 44 52859 1 . ARG 45 45 52859 1 . PRO 46 46 52859 1 . THR 47 47 52859 1 . THR 48 48 52859 1 . LEU 49 49 52859 1 . ASN 50 50 52859 1 . LEU 51 51 52859 1 . PHE 52 52 52859 1 . PRO 53 53 52859 1 . GLN 54 54 52859 1 . VAL 55 55 52859 1 . PRO 56 56 52859 1 . ARG 57 57 52859 1 . SER 58 58 52859 1 . GLN 59 59 52859 1 . ASP 60 60 52859 1 . THR 61 61 52859 1 . LEU 62 62 52859 1 . ASN 63 63 52859 1 . ASN 64 64 52859 1 . ASN 65 65 52859 1 . SER 66 66 52859 1 . LEU 67 67 52859 1 . GLY 68 68 52859 1 . LYS 69 69 52859 1 . LYS 70 70 52859 1 . HIS 71 71 52859 1 . SER 72 72 52859 1 . TRP 73 73 52859 1 . GLN 74 74 52859 1 . ASP 75 75 52859 1 . ARG 76 76 52859 1 . VAL 77 77 52859 1 . SER 78 78 52859 1 . ARG 79 79 52859 1 . SER 80 80 52859 1 . SER 81 81 52859 1 . SER 82 82 52859 1 . PRO 83 83 52859 1 . LEU 84 84 52859 1 . LYS 85 85 52859 1 . THR 86 86 52859 1 . GLY 87 87 52859 1 . GLU 88 88 52859 1 . GLN 89 89 52859 1 . THR 90 90 52859 1 . PRO 91 91 52859 1 . PRO 92 92 52859 1 . HIS 93 93 52859 1 . GLU 94 94 52859 1 . HIS 95 95 52859 1 . ILE 96 96 52859 1 . CYS 97 97 52859 1 . LEU 98 98 52859 1 . SER 99 99 52859 1 . ASP 100 100 52859 1 . GLU 101 101 52859 1 . LEU 102 102 52859 1 . PRO 103 103 52859 1 . PRO 104 104 52859 1 . GLN 105 105 52859 1 . SER 106 106 52859 1 . GLY 107 107 52859 1 . PRO 108 108 52859 1 . ALA 109 109 52859 1 . PRO 110 110 52859 1 . THR 111 111 52859 1 . THR 112 112 52859 1 . ASP 113 113 52859 1 . ARG 114 114 52859 1 . GLY 115 115 52859 1 . THR 116 116 52859 1 . SER 117 117 52859 1 . THR 118 118 52859 1 . ASP 119 119 52859 1 . SER 120 120 52859 1 . PRO 121 121 52859 1 . CYS 122 122 52859 1 . ARG 123 123 52859 1 . ARG 124 124 52859 1 . SER 125 125 52859 1 . THR 126 126 52859 1 . ALA 127 127 52859 1 . THR 128 128 52859 1 . GLN 129 129 52859 1 . MET 130 130 52859 1 . ALA 131 131 52859 1 . PRO 132 132 52859 1 . PRO 133 133 52859 1 . GLY 134 134 52859 1 . GLY 135 135 52859 1 . PRO 136 136 52859 1 . PRO 137 137 52859 1 . ALA 138 138 52859 1 . ALA 139 139 52859 1 . PRO 140 140 52859 1 . PRO 141 141 52859 1 . GLY 142 142 52859 1 . GLY 143 143 52859 1 . ARG 144 144 52859 1 . GLY 145 145 52859 1 . HIS 146 146 52859 1 . SER 147 147 52859 1 . HIS 148 148 52859 1 . ARG 149 149 52859 1 . ASP 150 150 52859 1 . ARG 151 151 52859 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 52859 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52859 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 52859 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-28a . . . 52859 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52859 _Sample.ID 1 _Sample.Name 'JIP1 116-266' _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 'JIP1 116-266' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 52859 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 52859 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 52859 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 52859 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 52859 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'JIP1 116-266' _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 'ionic strength' 0.2 . M 52859 1 pH 7.1 . pH 52859 1 pressure 1 . atm 52859 1 temperature 278.15 . K 52859 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52859 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52859 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52859 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52859 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52859 _Software.ID 3 _Software.Type . _Software.Name MARS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52859 3 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 52859 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 600 _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 52859 _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 . . . . . . . . . . . . . . . . . 52859 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52859 1 3 '3D HN(CA)CO' no . no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52859 1 4 '3D HN(CO)CACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52859 1 5 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52859 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 52859 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'JIP1 116-266' _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 water protons . . . . ppm 5.091 internal indirect 0.25146 . . . . . 52859 1 H 1 water protons . . . . ppm 5.091 internal direct 1 . . . . . 52859 1 N 15 water protons . . . . ppm 5.091 internal indirect 0.10134 . . . . . 52859 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 52859 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'JIP1 116-266' _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 2 '3D HNCO' . . . 52859 1 3 '3D HN(CA)CO' . . . 52859 1 4 '3D HN(CO)CACB' . . . 52859 1 5 '3D HNCACB' . . . 52859 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 . . 52859 1 2 $software_2 . . 52859 1 3 $software_3 . . 52859 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLU H H 1 8.579 . . . . . . . . 116 E HN . 52859 1 2 . 1 . 1 1 1 GLU C C 13 176.786 . . . . . . . . 116 E CO . 52859 1 3 . 1 . 1 1 1 GLU CA C 13 57.020 . . . . . . . . 116 E CA . 52859 1 4 . 1 . 1 1 1 GLU CB C 13 30.021 . . . . . . . . 116 E CB . 52859 1 5 . 1 . 1 1 1 GLU N N 15 122.861 . . . . . . . . 116 E N . 52859 1 6 . 1 . 1 2 2 ARG H H 1 8.496 . . . . . . . . 117 R HN . 52859 1 7 . 1 . 1 2 2 ARG C C 13 176.337 . . . . . . . . 117 R CO . 52859 1 8 . 1 . 1 2 2 ARG CA C 13 56.424 . . . . . . . . 117 R CA . 52859 1 9 . 1 . 1 2 2 ARG CB C 13 30.780 . . . . . . . . 117 R CB . 52859 1 10 . 1 . 1 2 2 ARG N N 15 122.520 . . . . . . . . 117 R N . 52859 1 11 . 1 . 1 3 3 ALA H H 1 8.427 . . . . . . . . 118 A HN . 52859 1 12 . 1 . 1 3 3 ALA C C 13 177.576 . . . . . . . . 118 A CO . 52859 1 13 . 1 . 1 3 3 ALA CA C 13 52.557 . . . . . . . . 118 A CA . 52859 1 14 . 1 . 1 3 3 ALA CB C 13 19.204 . . . . . . . . 118 A CB . 52859 1 15 . 1 . 1 3 3 ALA N N 15 125.190 . . . . . . . . 118 A N . 52859 1 16 . 1 . 1 4 4 ALA H H 1 8.355 . . . . . . . . 119 A HN . 52859 1 17 . 1 . 1 4 4 ALA C C 13 177.775 . . . . . . . . 119 A CO . 52859 1 18 . 1 . 1 4 4 ALA CA C 13 52.415 . . . . . . . . 119 A CA . 52859 1 19 . 1 . 1 4 4 ALA CB C 13 19.227 . . . . . . . . 119 A CB . 52859 1 20 . 1 . 1 4 4 ALA N N 15 123.546 . . . . . . . . 119 A N . 52859 1 21 . 1 . 1 5 5 ARG H H 1 8.395 . . . . . . . . 120 R HN . 52859 1 22 . 1 . 1 5 5 ARG C C 13 176.217 . . . . . . . . 120 R CO . 52859 1 23 . 1 . 1 5 5 ARG CA C 13 55.927 . . . . . . . . 120 R CA . 52859 1 24 . 1 . 1 5 5 ARG CB C 13 30.892 . . . . . . . . 120 R CB . 52859 1 25 . 1 . 1 5 5 ARG N N 15 120.855 . . . . . . . . 120 R N . 52859 1 26 . 1 . 1 6 6 ARG H H 1 8.592 . . . . . . . . 121 R HN . 52859 1 27 . 1 . 1 6 6 ARG C C 13 174.381 . . . . . . . . 121 R CO . 52859 1 28 . 1 . 1 6 6 ARG CA C 13 54.048 . . . . . . . . 121 R CA . 52859 1 29 . 1 . 1 6 6 ARG CB C 13 29.975 . . . . . . . . 121 R CB . 52859 1 30 . 1 . 1 6 6 ARG N N 15 124.544 . . . . . . . . 121 R N . 52859 1 31 . 1 . 1 7 7 PRO C C 13 177.695 . . . . . . . . 122 P CO . 52859 1 32 . 1 . 1 7 7 PRO CA C 13 63.556 . . . . . . . . 122 P CA . 52859 1 33 . 1 . 1 7 7 PRO CB C 13 32.060 . . . . . . . . 122 P CB . 52859 1 34 . 1 . 1 8 8 GLY H H 1 8.682 . . . . . . . . 123 G HN . 52859 1 35 . 1 . 1 8 8 GLY C C 13 173.926 . . . . . . . . 123 G CO . 52859 1 36 . 1 . 1 8 8 GLY CA C 13 45.300 . . . . . . . . 123 G CA . 52859 1 37 . 1 . 1 8 8 GLY N N 15 110.347 . . . . . . . . 123 G N . 52859 1 38 . 1 . 1 9 9 ALA H H 1 8.246 . . . . . . . . 124 A HN . 52859 1 39 . 1 . 1 9 9 ALA C C 13 178.132 . . . . . . . . 124 A CO . 52859 1 40 . 1 . 1 9 9 ALA CA C 13 52.458 . . . . . . . . 124 A CA . 52859 1 41 . 1 . 1 9 9 ALA CB C 13 19.762 . . . . . . . . 124 A CB . 52859 1 42 . 1 . 1 9 9 ALA N N 15 123.714 . . . . . . . . 124 A N . 52859 1 43 . 1 . 1 10 10 GLY H H 1 8.433 . . . . . . . . 125 G HN . 52859 1 44 . 1 . 1 10 10 GLY C C 13 177.147 . . . . . . . . 125 G CO . 52859 1 45 . 1 . 1 10 10 GLY CA C 13 44.365 . . . . . . . . 125 G CA . 52859 1 46 . 1 . 1 10 10 GLY N N 15 108.731 . . . . . . . . 125 G N . 52859 1 47 . 1 . 1 12 12 PRO C C 13 176.933 . . . . . . . . 127 P CO . 52859 1 48 . 1 . 1 12 12 PRO CA C 13 62.829 . . . . . . . . 127 P CA . 52859 1 49 . 1 . 1 12 12 PRO CB C 13 32.118 . . . . . . . . 127 P CB . 52859 1 50 . 1 . 1 13 13 LYS H H 1 8.582 . . . . . . . . 128 K HN . 52859 1 51 . 1 . 1 13 13 LYS C C 13 176.501 . . . . . . . . 128 K CO . 52859 1 52 . 1 . 1 13 13 LYS CA C 13 56.213 . . . . . . . . 128 K CA . 52859 1 53 . 1 . 1 13 13 LYS CB C 13 33.202 . . . . . . . . 128 K CB . 52859 1 54 . 1 . 1 13 13 LYS N N 15 122.403 . . . . . . . . 128 K N . 52859 1 55 . 1 . 1 14 14 ALA H H 1 8.601 . . . . . . . . 129 A HN . 52859 1 56 . 1 . 1 14 14 ALA C C 13 177.898 . . . . . . . . 129 A CO . 52859 1 57 . 1 . 1 14 14 ALA CA C 13 52.497 . . . . . . . . 129 A CA . 52859 1 58 . 1 . 1 14 14 ALA CB C 13 19.263 . . . . . . . . 129 A CB . 52859 1 59 . 1 . 1 14 14 ALA N N 15 126.365 . . . . . . . . 129 A N . 52859 1 60 . 1 . 1 15 15 GLU H H 1 8.632 . . . . . . . . 130 E HN . 52859 1 61 . 1 . 1 15 15 GLU C C 13 176.747 . . . . . . . . 130 E CO . 52859 1 62 . 1 . 1 15 15 GLU CA C 13 56.454 . . . . . . . . 130 E CA . 52859 1 63 . 1 . 1 15 15 GLU CB C 13 30.316 . . . . . . . . 130 E CB . 52859 1 64 . 1 . 1 15 15 GLU N N 15 121.001 . . . . . . . . 130 E N . 52859 1 65 . 1 . 1 16 16 SER H H 1 8.604 . . . . . . . . 131 S HN . 52859 1 66 . 1 . 1 16 16 SER C C 13 175.330 . . . . . . . . 131 S CO . 52859 1 67 . 1 . 1 16 16 SER CA C 13 58.700 . . . . . . . . 131 S CA . 52859 1 68 . 1 . 1 16 16 SER CB C 13 63.893 . . . . . . . . 131 S CB . 52859 1 69 . 1 . 1 16 16 SER N N 15 117.301 . . . . . . . . 131 S N . 52859 1 70 . 1 . 1 17 17 GLY H H 1 8.690 . . . . . . . . 132 G HN . 52859 1 71 . 1 . 1 17 17 GLY C C 13 174.129 . . . . . . . . 132 G CO . 52859 1 72 . 1 . 1 17 17 GLY CA C 13 45.410 . . . . . . . . 132 G CA . 52859 1 73 . 1 . 1 17 17 GLY N N 15 111.331 . . . . . . . . 132 G N . 52859 1 74 . 1 . 1 18 18 GLN H H 1 8.332 . . . . . . . . 133 Q HN . 52859 1 75 . 1 . 1 18 18 GLN C C 13 175.993 . . . . . . . . 133 Q CO . 52859 1 76 . 1 . 1 18 18 GLN CA C 13 55.402 . . . . . . . . 133 Q CA . 52859 1 77 . 1 . 1 18 18 GLN CB C 13 29.707 . . . . . . . . 133 Q CB . 52859 1 78 . 1 . 1 18 18 GLN N N 15 119.540 . . . . . . . . 133 Q N . 52859 1 79 . 1 . 1 19 19 GLU H H 1 8.722 . . . . . . . . 134 E HN . 52859 1 80 . 1 . 1 19 19 GLU C C 13 174.768 . . . . . . . . 134 E CO . 52859 1 81 . 1 . 1 19 19 GLU CA C 13 54.729 . . . . . . . . 134 E CA . 52859 1 82 . 1 . 1 19 19 GLU CB C 13 29.366 . . . . . . . . 134 E CB . 52859 1 83 . 1 . 1 19 19 GLU N N 15 124.188 . . . . . . . . 134 E N . 52859 1 84 . 1 . 1 20 20 PRO C C 13 177.001 . . . . . . . . 135 P CO . 52859 1 85 . 1 . 1 20 20 PRO CA C 13 63.341 . . . . . . . . 135 P CA . 52859 1 86 . 1 . 1 20 20 PRO CB C 13 32.121 . . . . . . . . 135 P CB . 52859 1 87 . 1 . 1 21 21 ALA H H 1 8.636 . . . . . . . . 136 A HN . 52859 1 88 . 1 . 1 21 21 ALA C C 13 178.179 . . . . . . . . 136 A CO . 52859 1 89 . 1 . 1 21 21 ALA CA C 13 52.844 . . . . . . . . 136 A CA . 52859 1 90 . 1 . 1 21 21 ALA CB C 13 19.038 . . . . . . . . 136 A CB . 52859 1 91 . 1 . 1 21 21 ALA N N 15 124.207 . . . . . . . . 136 A N . 52859 1 92 . 1 . 1 22 22 SER H H 1 8.397 . . . . . . . . 137 S HN . 52859 1 93 . 1 . 1 22 22 SER C C 13 174.849 . . . . . . . . 137 S CO . 52859 1 94 . 1 . 1 22 22 SER CA C 13 58.372 . . . . . . . . 137 S CA . 52859 1 95 . 1 . 1 22 22 SER CB C 13 63.807 . . . . . . . . 137 S CB . 52859 1 96 . 1 . 1 22 22 SER N N 15 114.924 . . . . . . . . 137 S N . 52859 1 97 . 1 . 1 23 23 ARG H H 1 8.479 . . . . . . . . 138 R HN . 52859 1 98 . 1 . 1 23 23 ARG C C 13 176.996 . . . . . . . . 138 R CO . 52859 1 99 . 1 . 1 23 23 ARG CA C 13 56.330 . . . . . . . . 138 R CA . 52859 1 100 . 1 . 1 23 23 ARG CB C 13 30.728 . . . . . . . . 138 R CB . 52859 1 101 . 1 . 1 23 23 ARG N N 15 123.121 . . . . . . . . 138 R N . 52859 1 102 . 1 . 1 24 24 GLY H H 1 8.556 . . . . . . . . 139 G HN . 52859 1 103 . 1 . 1 24 24 GLY C C 13 174.337 . . . . . . . . 139 G CO . 52859 1 104 . 1 . 1 24 24 GLY CA C 13 45.348 . . . . . . . . 139 G CA . 52859 1 105 . 1 . 1 24 24 GLY N N 15 109.935 . . . . . . . . 139 G N . 52859 1 106 . 1 . 1 25 25 GLN H H 1 8.479 . . . . . . . . 140 Q HN . 52859 1 107 . 1 . 1 25 25 GLN C C 13 176.844 . . . . . . . . 140 Q CO . 52859 1 108 . 1 . 1 25 25 GLN CA C 13 56.032 . . . . . . . . 140 Q CA . 52859 1 109 . 1 . 1 25 25 GLN CB C 13 29.436 . . . . . . . . 140 Q CB . 52859 1 110 . 1 . 1 25 25 GLN N N 15 120.054 . . . . . . . . 140 Q N . 52859 1 111 . 1 . 1 26 26 GLY H H 1 8.696 . . . . . . . . 141 G HN . 52859 1 112 . 1 . 1 26 26 GLY C C 13 174.330 . . . . . . . . 141 G CO . 52859 1 113 . 1 . 1 26 26 GLY CA C 13 45.380 . . . . . . . . 141 G CA . 52859 1 114 . 1 . 1 26 26 GLY N N 15 110.428 . . . . . . . . 141 G N . 52859 1 115 . 1 . 1 27 27 GLN H H 1 8.429 . . . . . . . . 142 Q HN . 52859 1 116 . 1 . 1 27 27 GLN C C 13 176.427 . . . . . . . . 142 Q CO . 52859 1 117 . 1 . 1 27 27 GLN CA C 13 55.927 . . . . . . . . 142 Q CA . 52859 1 118 . 1 . 1 27 27 GLN CB C 13 29.586 . . . . . . . . 142 Q CB . 52859 1 119 . 1 . 1 27 27 GLN N N 15 120.009 . . . . . . . . 142 Q N . 52859 1 120 . 1 . 1 28 28 SER H H 1 8.595 . . . . . . . . 143 S HN . 52859 1 121 . 1 . 1 28 28 SER C C 13 174.790 . . . . . . . . 143 S CO . 52859 1 122 . 1 . 1 28 28 SER CA C 13 58.635 . . . . . . . . 143 S CA . 52859 1 123 . 1 . 1 28 28 SER CB C 13 63.778 . . . . . . . . 143 S CB . 52859 1 124 . 1 . 1 28 28 SER N N 15 117.447 . . . . . . . . 143 S N . 52859 1 125 . 1 . 1 29 29 GLN H H 1 8.655 . . . . . . . . 144 Q HN . 52859 1 126 . 1 . 1 29 29 GLN C C 13 176.651 . . . . . . . . 144 Q CO . 52859 1 127 . 1 . 1 29 29 GLN CA C 13 56.170 . . . . . . . . 144 Q CA . 52859 1 128 . 1 . 1 29 29 GLN CB C 13 29.354 . . . . . . . . 144 Q CB . 52859 1 129 . 1 . 1 29 29 GLN N N 15 122.390 . . . . . . . . 144 Q N . 52859 1 130 . 1 . 1 30 30 GLY H H 1 8.595 . . . . . . . . 145 G HN . 52859 1 131 . 1 . 1 30 30 GLY C C 13 174.214 . . . . . . . . 145 G CO . 52859 1 132 . 1 . 1 30 30 GLY CA C 13 45.412 . . . . . . . . 145 G CA . 52859 1 133 . 1 . 1 30 30 GLY N N 15 110.176 . . . . . . . . 145 G N . 52859 1 134 . 1 . 1 31 31 GLN H H 1 8.412 . . . . . . . . 146 Q HN . 52859 1 135 . 1 . 1 31 31 GLN C C 13 176.339 . . . . . . . . 146 Q CO . 52859 1 136 . 1 . 1 31 31 GLN CA C 13 55.820 . . . . . . . . 146 Q CA . 52859 1 137 . 1 . 1 31 31 GLN CB C 13 29.557 . . . . . . . . 146 Q CB . 52859 1 138 . 1 . 1 31 31 GLN N N 15 120.011 . . . . . . . . 146 Q N . 52859 1 139 . 1 . 1 32 32 SER H H 1 8.604 . . . . . . . . 147 S HN . 52859 1 140 . 1 . 1 32 32 SER C C 13 174.580 . . . . . . . . 147 S CO . 52859 1 141 . 1 . 1 32 32 SER CA C 13 58.626 . . . . . . . . 147 S CA . 52859 1 142 . 1 . 1 32 32 SER CB C 13 63.746 . . . . . . . . 147 S CB . 52859 1 143 . 1 . 1 32 32 SER N N 15 117.645 . . . . . . . . 147 S N . 52859 1 144 . 1 . 1 33 33 GLN H H 1 8.619 . . . . . . . . 148 Q HN . 52859 1 145 . 1 . 1 33 33 GLN C C 13 176.144 . . . . . . . . 148 Q CO . 52859 1 146 . 1 . 1 33 33 GLN CA C 13 55.668 . . . . . . . . 148 Q CA . 52859 1 147 . 1 . 1 33 33 GLN CB C 13 29.728 . . . . . . . . 148 Q CB . 52859 1 148 . 1 . 1 33 33 GLN N N 15 122.207 . . . . . . . . 148 Q N . 52859 1 149 . 1 . 1 34 34 GLY H H 1 8.446 . . . . . . . . 149 G HN . 52859 1 150 . 1 . 1 34 34 GLY C C 13 178.012 . . . . . . . . 149 G CO . 52859 1 151 . 1 . 1 34 34 GLY CA C 13 44.646 . . . . . . . . 149 G CA . 52859 1 152 . 1 . 1 34 34 GLY N N 15 110.174 . . . . . . . . 149 G N . 52859 1 153 . 1 . 1 35 35 PRO C C 13 177.896 . . . . . . . . 150 P CO . 52859 1 154 . 1 . 1 35 35 PRO CA C 13 63.584 . . . . . . . . 150 P CA . 52859 1 155 . 1 . 1 35 35 PRO CB C 13 32.142 . . . . . . . . 150 P CB . 52859 1 156 . 1 . 1 36 36 GLY H H 1 8.740 . . . . . . . . 151 G HN . 52859 1 157 . 1 . 1 36 36 GLY C C 13 174.527 . . . . . . . . 151 G CO . 52859 1 158 . 1 . 1 36 36 GLY CA C 13 45.252 . . . . . . . . 151 G CA . 52859 1 159 . 1 . 1 36 36 GLY N N 15 110.302 . . . . . . . . 151 G N . 52859 1 160 . 1 . 1 37 37 SER H H 1 8.365 . . . . . . . . 152 S HN . 52859 1 161 . 1 . 1 37 37 SER C C 13 175.309 . . . . . . . . 152 S CO . 52859 1 162 . 1 . 1 37 37 SER CA C 13 58.761 . . . . . . . . 152 S CA . 52859 1 163 . 1 . 1 37 37 SER CB C 13 63.967 . . . . . . . . 152 S CB . 52859 1 164 . 1 . 1 37 37 SER N N 15 115.726 . . . . . . . . 152 S N . 52859 1 165 . 1 . 1 38 38 GLY H H 1 8.672 . . . . . . . . 153 G HN . 52859 1 166 . 1 . 1 38 38 GLY C C 13 174.237 . . . . . . . . 153 G CO . 52859 1 167 . 1 . 1 38 38 GLY CA C 13 45.416 . . . . . . . . 153 G CA . 52859 1 168 . 1 . 1 38 38 GLY N N 15 111.080 . . . . . . . . 153 G N . 52859 1 169 . 1 . 1 39 39 ASP H H 1 8.385 . . . . . . . . 154 D HN . 52859 1 170 . 1 . 1 39 39 ASP C C 13 176.768 . . . . . . . . 154 D CO . 52859 1 171 . 1 . 1 39 39 ASP CA C 13 54.577 . . . . . . . . 154 D CA . 52859 1 172 . 1 . 1 39 39 ASP CB C 13 41.191 . . . . . . . . 154 D CB . 52859 1 173 . 1 . 1 39 39 ASP N N 15 120.806 . . . . . . . . 154 D N . 52859 1 174 . 1 . 1 40 40 THR H H 1 8.206 . . . . . . . . 155 T HN . 52859 1 175 . 1 . 1 40 40 THR C C 13 174.378 . . . . . . . . 155 T CO . 52859 1 176 . 1 . 1 40 40 THR CA C 13 62.350 . . . . . . . . 155 T CA . 52859 1 177 . 1 . 1 40 40 THR CB C 13 69.734 . . . . . . . . 155 T CB . 52859 1 178 . 1 . 1 40 40 THR N N 15 114.366 . . . . . . . . 155 T N . 52859 1 179 . 1 . 1 41 41 TYR H H 1 8.359 . . . . . . . . 156 Y HN . 52859 1 180 . 1 . 1 41 41 TYR C C 13 175.279 . . . . . . . . 156 Y CO . 52859 1 181 . 1 . 1 41 41 TYR CA C 13 58.226 . . . . . . . . 156 Y CA . 52859 1 182 . 1 . 1 41 41 TYR CB C 13 38.519 . . . . . . . . 156 Y CB . 52859 1 183 . 1 . 1 41 41 TYR N N 15 123.422 . . . . . . . . 156 Y N . 52859 1 184 . 1 . 1 42 42 ARG H H 1 8.115 . . . . . . . . 157 R HN . 52859 1 185 . 1 . 1 42 42 ARG C C 13 173.181 . . . . . . . . 157 R CO . 52859 1 186 . 1 . 1 42 42 ARG CA C 13 53.211 . . . . . . . . 157 R CA . 52859 1 187 . 1 . 1 42 42 ARG CB C 13 30.651 . . . . . . . . 157 R CB . 52859 1 188 . 1 . 1 42 42 ARG N N 15 126.026 . . . . . . . . 157 R N . 52859 1 189 . 1 . 1 43 43 PRO C C 13 176.835 . . . . . . . . 158 P CO . 52859 1 190 . 1 . 1 43 43 PRO CA C 13 62.826 . . . . . . . . 158 P CA . 52859 1 191 . 1 . 1 43 43 PRO CB C 13 32.137 . . . . . . . . 158 P CB . 52859 1 192 . 1 . 1 44 44 LYS H H 1 8.575 . . . . . . . . 159 K HN . 52859 1 193 . 1 . 1 44 44 LYS C C 13 176.588 . . . . . . . . 159 K CO . 52859 1 194 . 1 . 1 44 44 LYS CA C 13 56.205 . . . . . . . . 159 K CA . 52859 1 195 . 1 . 1 44 44 LYS CB C 13 32.996 . . . . . . . . 159 K CB . 52859 1 196 . 1 . 1 44 44 LYS N N 15 122.135 . . . . . . . . 159 K N . 52859 1 197 . 1 . 1 45 45 ARG H H 1 8.535 . . . . . . . . 160 R HN . 52859 1 198 . 1 . 1 45 45 ARG C C 13 174.305 . . . . . . . . 160 R CO . 52859 1 199 . 1 . 1 45 45 ARG CA C 13 53.938 . . . . . . . . 160 R CA . 52859 1 200 . 1 . 1 45 45 ARG CB C 13 30.224 . . . . . . . . 160 R CB . 52859 1 201 . 1 . 1 45 45 ARG N N 15 124.113 . . . . . . . . 160 R N . 52859 1 202 . 1 . 1 46 46 PRO C C 13 177.122 . . . . . . . . 161 P CO . 52859 1 203 . 1 . 1 46 46 PRO CA C 13 63.119 . . . . . . . . 161 P CA . 52859 1 204 . 1 . 1 46 46 PRO CB C 13 32.271 . . . . . . . . 161 P CB . 52859 1 205 . 1 . 1 47 47 THR H H 1 8.535 . . . . . . . . 162 T HN . 52859 1 206 . 1 . 1 47 47 THR C C 13 174.817 . . . . . . . . 162 T CO . 52859 1 207 . 1 . 1 47 47 THR CA C 13 61.997 . . . . . . . . 162 T CA . 52859 1 208 . 1 . 1 47 47 THR CB C 13 69.858 . . . . . . . . 162 T CB . 52859 1 209 . 1 . 1 47 47 THR N N 15 115.396 . . . . . . . . 162 T N . 52859 1 210 . 1 . 1 48 48 THR H H 1 8.272 . . . . . . . . 163 T HN . 52859 1 211 . 1 . 1 48 48 THR C C 13 174.309 . . . . . . . . 163 T CO . 52859 1 212 . 1 . 1 48 48 THR CA C 13 61.861 . . . . . . . . 163 T CA . 52859 1 213 . 1 . 1 48 48 THR CB C 13 69.800 . . . . . . . . 163 T CB . 52859 1 214 . 1 . 1 48 48 THR N N 15 116.963 . . . . . . . . 163 T N . 52859 1 215 . 1 . 1 49 49 LEU H H 1 8.392 . . . . . . . . 164 L HN . 52859 1 216 . 1 . 1 49 49 LEU C C 13 176.785 . . . . . . . . 164 L CO . 52859 1 217 . 1 . 1 49 49 LEU CA C 13 55.275 . . . . . . . . 164 L CA . 52859 1 218 . 1 . 1 49 49 LEU CB C 13 42.461 . . . . . . . . 164 L CB . 52859 1 219 . 1 . 1 49 49 LEU N N 15 124.910 . . . . . . . . 164 L N . 52859 1 220 . 1 . 1 50 50 ASN H H 1 8.568 . . . . . . . . 165 N HN . 52859 1 221 . 1 . 1 50 50 ASN C C 13 174.768 . . . . . . . . 165 N CO . 52859 1 222 . 1 . 1 50 50 ASN CA C 13 53.047 . . . . . . . . 165 N CA . 52859 1 223 . 1 . 1 50 50 ASN CB C 13 38.651 . . . . . . . . 165 N CB . 52859 1 224 . 1 . 1 50 50 ASN N N 15 120.234 . . . . . . . . 165 N N . 52859 1 225 . 1 . 1 51 51 LEU H H 1 8.274 . . . . . . . . 166 L HN . 52859 1 226 . 1 . 1 51 51 LEU C C 13 176.692 . . . . . . . . 166 L CO . 52859 1 227 . 1 . 1 51 51 LEU CA C 13 55.160 . . . . . . . . 166 L CA . 52859 1 228 . 1 . 1 51 51 LEU CB C 13 42.368 . . . . . . . . 166 L CB . 52859 1 229 . 1 . 1 51 51 LEU N N 15 122.749 . . . . . . . . 166 L N . 52859 1 230 . 1 . 1 52 52 PHE H H 1 8.295 . . . . . . . . 167 F HN . 52859 1 231 . 1 . 1 52 52 PHE C C 13 173.616 . . . . . . . . 167 F CO . 52859 1 232 . 1 . 1 52 52 PHE CA C 13 55.659 . . . . . . . . 167 F CA . 52859 1 233 . 1 . 1 52 52 PHE CB C 13 38.995 . . . . . . . . 167 F CB . 52859 1 234 . 1 . 1 52 52 PHE N N 15 120.657 . . . . . . . . 167 F N . 52859 1 235 . 1 . 1 53 53 PRO C C 13 176.867 . . . . . . . . 168 P CO . 52859 1 236 . 1 . 1 53 53 PRO CA C 13 63.163 . . . . . . . . 168 P CA . 52859 1 237 . 1 . 1 53 53 PRO CB C 13 32.111 . . . . . . . . 168 P CB . 52859 1 238 . 1 . 1 54 54 GLN H H 1 8.677 . . . . . . . . 169 Q HN . 52859 1 239 . 1 . 1 54 54 GLN C C 13 176.039 . . . . . . . . 169 Q CO . 52859 1 240 . 1 . 1 54 54 GLN CA C 13 55.592 . . . . . . . . 169 Q CA . 52859 1 241 . 1 . 1 54 54 GLN CB C 13 29.649 . . . . . . . . 169 Q CB . 52859 1 242 . 1 . 1 54 54 GLN N N 15 121.141 . . . . . . . . 169 Q N . 52859 1 243 . 1 . 1 55 55 VAL H H 1 8.416 . . . . . . . . 170 V HN . 52859 1 244 . 1 . 1 55 55 VAL C C 13 174.435 . . . . . . . . 170 V CO . 52859 1 245 . 1 . 1 55 55 VAL CA C 13 59.978 . . . . . . . . 170 V CA . 52859 1 246 . 1 . 1 55 55 VAL CB C 13 32.599 . . . . . . . . 170 V CB . 52859 1 247 . 1 . 1 55 55 VAL N N 15 123.872 . . . . . . . . 170 V N . 52859 1 248 . 1 . 1 56 56 PRO C C 13 176.884 . . . . . . . . 171 P CO . 52859 1 249 . 1 . 1 56 56 PRO CA C 13 63.099 . . . . . . . . 171 P CA . 52859 1 250 . 1 . 1 56 56 PRO CB C 13 32.238 . . . . . . . . 171 P CB . 52859 1 251 . 1 . 1 57 57 ARG H H 1 8.679 . . . . . . . . 172 R HN . 52859 1 252 . 1 . 1 57 57 ARG C C 13 176.846 . . . . . . . . 172 R CO . 52859 1 253 . 1 . 1 57 57 ARG CA C 13 56.211 . . . . . . . . 172 R CA . 52859 1 254 . 1 . 1 57 57 ARG CB C 13 30.881 . . . . . . . . 172 R CB . 52859 1 255 . 1 . 1 57 57 ARG N N 15 122.170 . . . . . . . . 172 R N . 52859 1 256 . 1 . 1 58 58 SER H H 1 8.617 . . . . . . . . 173 S HN . 52859 1 257 . 1 . 1 58 58 SER C C 13 175.043 . . . . . . . . 173 S CO . 52859 1 258 . 1 . 1 58 58 SER CA C 13 58.605 . . . . . . . . 173 S CA . 52859 1 259 . 1 . 1 58 58 SER CB C 13 63.749 . . . . . . . . 173 S CB . 52859 1 260 . 1 . 1 58 58 SER N N 15 117.820 . . . . . . . . 173 S N . 52859 1 261 . 1 . 1 59 59 GLN H H 1 8.733 . . . . . . . . 174 Q HN . 52859 1 262 . 1 . 1 59 59 GLN C C 13 175.973 . . . . . . . . 174 Q CO . 52859 1 263 . 1 . 1 59 59 GLN CA C 13 56.321 . . . . . . . . 174 Q CA . 52859 1 264 . 1 . 1 59 59 GLN CB C 13 29.394 . . . . . . . . 174 Q CB . 52859 1 265 . 1 . 1 59 59 GLN N N 15 122.208 . . . . . . . . 174 Q N . 52859 1 266 . 1 . 1 60 60 ASP H H 1 8.413 . . . . . . . . 175 D HN . 52859 1 267 . 1 . 1 60 60 ASP C C 13 176.734 . . . . . . . . 175 D CO . 52859 1 268 . 1 . 1 60 60 ASP CA C 13 54.799 . . . . . . . . 175 D CA . 52859 1 269 . 1 . 1 60 60 ASP CB C 13 41.090 . . . . . . . . 175 D CB . 52859 1 270 . 1 . 1 60 60 ASP N N 15 121.426 . . . . . . . . 175 D N . 52859 1 271 . 1 . 1 61 61 THR H H 1 8.184 . . . . . . . . 176 T HN . 52859 1 272 . 1 . 1 61 61 THR C C 13 174.994 . . . . . . . . 176 T CO . 52859 1 273 . 1 . 1 61 61 THR CA C 13 62.350 . . . . . . . . 176 T CA . 52859 1 274 . 1 . 1 61 61 THR CB C 13 69.671 . . . . . . . . 176 T CB . 52859 1 275 . 1 . 1 61 61 THR N N 15 114.404 . . . . . . . . 176 T N . 52859 1 276 . 1 . 1 62 62 LEU H H 1 8.308 . . . . . . . . 177 L HN . 52859 1 277 . 1 . 1 62 62 LEU C C 13 177.421 . . . . . . . . 177 L CO . 52859 1 278 . 1 . 1 62 62 LEU CA C 13 55.713 . . . . . . . . 177 L CA . 52859 1 279 . 1 . 1 62 62 LEU CB C 13 42.108 . . . . . . . . 177 L CB . 52859 1 280 . 1 . 1 62 62 LEU N N 15 123.787 . . . . . . . . 177 L N . 52859 1 281 . 1 . 1 63 63 ASN H H 1 8.473 . . . . . . . . 178 N HN . 52859 1 282 . 1 . 1 63 63 ASN C C 13 175.179 . . . . . . . . 178 N CO . 52859 1 283 . 1 . 1 63 63 ASN CA C 13 53.430 . . . . . . . . 178 N CA . 52859 1 284 . 1 . 1 63 63 ASN CB C 13 38.820 . . . . . . . . 178 N CB . 52859 1 285 . 1 . 1 63 63 ASN N N 15 118.849 . . . . . . . . 178 N N . 52859 1 286 . 1 . 1 64 64 ASN H H 1 8.470 . . . . . . . . 179 N HN . 52859 1 287 . 1 . 1 64 64 ASN C C 13 175.446 . . . . . . . . 179 N CO . 52859 1 288 . 1 . 1 64 64 ASN CA C 13 53.585 . . . . . . . . 179 N CA . 52859 1 289 . 1 . 1 64 64 ASN CB C 13 38.586 . . . . . . . . 179 N CB . 52859 1 290 . 1 . 1 64 64 ASN N N 15 119.394 . . . . . . . . 179 N N . 52859 1 291 . 1 . 1 65 65 ASN H H 1 8.578 . . . . . . . . 180 N HN . 52859 1 292 . 1 . 1 65 65 ASN C C 13 175.752 . . . . . . . . 180 N CO . 52859 1 293 . 1 . 1 65 65 ASN CA C 13 53.697 . . . . . . . . 180 N CA . 52859 1 294 . 1 . 1 65 65 ASN CB C 13 38.797 . . . . . . . . 180 N CB . 52859 1 295 . 1 . 1 65 65 ASN N N 15 119.318 . . . . . . . . 180 N N . 52859 1 296 . 1 . 1 66 66 SER H H 1 8.391 . . . . . . . . 181 S HN . 52859 1 297 . 1 . 1 66 66 SER C C 13 175.022 . . . . . . . . 181 S CO . 52859 1 298 . 1 . 1 66 66 SER CA C 13 59.043 . . . . . . . . 181 S CA . 52859 1 299 . 1 . 1 66 66 SER CB C 13 63.670 . . . . . . . . 181 S CB . 52859 1 300 . 1 . 1 66 66 SER N N 15 116.137 . . . . . . . . 181 S N . 52859 1 301 . 1 . 1 67 67 LEU H H 1 8.314 . . . . . . . . 182 L HN . 52859 1 302 . 1 . 1 67 67 LEU C C 13 178.143 . . . . . . . . 182 L CO . 52859 1 303 . 1 . 1 67 67 LEU CA C 13 55.668 . . . . . . . . 182 L CA . 52859 1 304 . 1 . 1 67 67 LEU CB C 13 42.054 . . . . . . . . 182 L CB . 52859 1 305 . 1 . 1 67 67 LEU N N 15 123.389 . . . . . . . . 182 L N . 52859 1 306 . 1 . 1 68 68 GLY H H 1 8.444 . . . . . . . . 183 G HN . 52859 1 307 . 1 . 1 68 68 GLY C C 13 174.220 . . . . . . . . 183 G CO . 52859 1 308 . 1 . 1 68 68 GLY CA C 13 45.366 . . . . . . . . 183 G CA . 52859 1 309 . 1 . 1 68 68 GLY N N 15 109.268 . . . . . . . . 183 G N . 52859 1 310 . 1 . 1 69 69 LYS H H 1 8.172 . . . . . . . . 184 K HN . 52859 1 311 . 1 . 1 69 69 LYS C C 13 176.765 . . . . . . . . 184 K CO . 52859 1 312 . 1 . 1 69 69 LYS CA C 13 56.281 . . . . . . . . 184 K CA . 52859 1 313 . 1 . 1 69 69 LYS CB C 13 33.133 . . . . . . . . 184 K CB . 52859 1 314 . 1 . 1 69 69 LYS N N 15 120.860 . . . . . . . . 184 K N . 52859 1 315 . 1 . 1 70 70 LYS H H 1 8.444 . . . . . . . . 185 K HN . 52859 1 316 . 1 . 1 70 70 LYS C C 13 176.502 . . . . . . . . 185 K CO . 52859 1 317 . 1 . 1 70 70 LYS CA C 13 56.292 . . . . . . . . 185 K CA . 52859 1 318 . 1 . 1 70 70 LYS CB C 13 32.974 . . . . . . . . 185 K CB . 52859 1 319 . 1 . 1 70 70 LYS N N 15 122.716 . . . . . . . . 185 K N . 52859 1 320 . 1 . 1 71 71 HIS H H 1 8.403 . . . . . . . . 186 H HN . 52859 1 321 . 1 . 1 71 71 HIS C C 13 175.765 . . . . . . . . 186 H CO . 52859 1 322 . 1 . 1 71 71 HIS CA C 13 56.081 . . . . . . . . 186 H CA . 52859 1 323 . 1 . 1 71 71 HIS CB C 13 31.053 . . . . . . . . 186 H CB . 52859 1 324 . 1 . 1 71 71 HIS N N 15 121.061 . . . . . . . . 186 H N . 52859 1 325 . 1 . 1 72 72 SER C C 13 174.816 . . . . . . . . 187 S CO . 52859 1 326 . 1 . 1 72 72 SER CA C 13 58.460 . . . . . . . . 187 S CA . 52859 1 327 . 1 . 1 72 72 SER CB C 13 63.819 . . . . . . . . 187 S CB . 52859 1 328 . 1 . 1 73 73 TRP H H 1 8.343 . . . . . . . . 188 W HN . 52859 1 329 . 1 . 1 73 73 TRP C C 13 176.744 . . . . . . . . 188 W CO . 52859 1 330 . 1 . 1 73 73 TRP CA C 13 58.103 . . . . . . . . 188 W CA . 52859 1 331 . 1 . 1 73 73 TRP CB C 13 29.058 . . . . . . . . 188 W CB . 52859 1 332 . 1 . 1 73 73 TRP N N 15 123.002 . . . . . . . . 188 W N . 52859 1 333 . 1 . 1 74 74 GLN H H 1 8.107 . . . . . . . . 189 Q HN . 52859 1 334 . 1 . 1 74 74 GLN C C 13 175.868 . . . . . . . . 189 Q CO . 52859 1 335 . 1 . 1 74 74 GLN CA C 13 56.585 . . . . . . . . 189 Q CA . 52859 1 336 . 1 . 1 74 74 GLN CB C 13 29.178 . . . . . . . . 189 Q CB . 52859 1 337 . 1 . 1 74 74 GLN N N 15 121.066 . . . . . . . . 189 Q N . 52859 1 338 . 1 . 1 75 75 ASP H H 1 8.172 . . . . . . . . 190 D HN . 52859 1 339 . 1 . 1 75 75 ASP C C 13 176.388 . . . . . . . . 190 D CO . 52859 1 340 . 1 . 1 75 75 ASP CA C 13 54.766 . . . . . . . . 190 D CA . 52859 1 341 . 1 . 1 75 75 ASP CB C 13 41.101 . . . . . . . . 190 D CB . 52859 1 342 . 1 . 1 75 75 ASP N N 15 120.790 . . . . . . . . 190 D N . 52859 1 343 . 1 . 1 76 76 ARG H H 1 8.199 . . . . . . . . 191 R HN . 52859 1 344 . 1 . 1 76 76 ARG C C 13 176.712 . . . . . . . . 191 R CO . 52859 1 345 . 1 . 1 76 76 ARG CA C 13 56.567 . . . . . . . . 191 R CA . 52859 1 346 . 1 . 1 76 76 ARG CB C 13 30.686 . . . . . . . . 191 R CB . 52859 1 347 . 1 . 1 76 76 ARG N N 15 120.744 . . . . . . . . 191 R N . 52859 1 348 . 1 . 1 77 77 VAL H H 1 8.205 . . . . . . . . 192 V HN . 52859 1 349 . 1 . 1 77 77 VAL C C 13 176.632 . . . . . . . . 192 V CO . 52859 1 350 . 1 . 1 77 77 VAL CA C 13 62.814 . . . . . . . . 192 V CA . 52859 1 351 . 1 . 1 77 77 VAL CB C 13 32.683 . . . . . . . . 192 V CB . 52859 1 352 . 1 . 1 77 77 VAL N N 15 120.919 . . . . . . . . 192 V N . 52859 1 353 . 1 . 1 78 78 SER H H 1 8.518 . . . . . . . . 193 S HN . 52859 1 354 . 1 . 1 78 78 SER C C 13 174.807 . . . . . . . . 193 S CO . 52859 1 355 . 1 . 1 78 78 SER CA C 13 58.630 . . . . . . . . 193 S CA . 52859 1 356 . 1 . 1 78 78 SER CB C 13 63.686 . . . . . . . . 193 S CB . 52859 1 357 . 1 . 1 78 78 SER N N 15 119.613 . . . . . . . . 193 S N . 52859 1 358 . 1 . 1 79 79 ARG H H 1 8.517 . . . . . . . . 194 R HN . 52859 1 359 . 1 . 1 79 79 ARG C C 13 176.506 . . . . . . . . 194 R CO . 52859 1 360 . 1 . 1 79 79 ARG CA C 13 56.277 . . . . . . . . 194 R CA . 52859 1 361 . 1 . 1 79 79 ARG CB C 13 30.797 . . . . . . . . 194 R CB . 52859 1 362 . 1 . 1 79 79 ARG N N 15 123.473 . . . . . . . . 194 R N . 52859 1 363 . 1 . 1 80 80 SER H H 1 8.446 . . . . . . . . 195 S HN . 52859 1 364 . 1 . 1 80 80 SER C C 13 174.629 . . . . . . . . 195 S CO . 52859 1 365 . 1 . 1 80 80 SER CA C 13 58.315 . . . . . . . . 195 S CA . 52859 1 366 . 1 . 1 80 80 SER CB C 13 63.895 . . . . . . . . 195 S CB . 52859 1 367 . 1 . 1 80 80 SER N N 15 116.850 . . . . . . . . 195 S N . 52859 1 368 . 1 . 1 81 81 SER H H 1 8.481 . . . . . . . . 196 S HN . 52859 1 369 . 1 . 1 81 81 SER C C 13 174.205 . . . . . . . . 196 S CO . 52859 1 370 . 1 . 1 81 81 SER CA C 13 58.384 . . . . . . . . 196 S CA . 52859 1 371 . 1 . 1 81 81 SER CB C 13 63.943 . . . . . . . . 196 S CB . 52859 1 372 . 1 . 1 81 81 SER N N 15 118.068 . . . . . . . . 196 S N . 52859 1 373 . 1 . 1 82 82 SER H H 1 8.427 . . . . . . . . 197 S HN . 52859 1 374 . 1 . 1 82 82 SER C C 13 172.748 . . . . . . . . 197 S CO . 52859 1 375 . 1 . 1 82 82 SER CA C 13 56.354 . . . . . . . . 197 S CA . 52859 1 376 . 1 . 1 82 82 SER CB C 13 63.465 . . . . . . . . 197 S CB . 52859 1 377 . 1 . 1 82 82 SER N N 15 118.928 . . . . . . . . 197 S N . 52859 1 378 . 1 . 1 83 83 PRO C C 13 176.890 . . . . . . . . 198 P CO . 52859 1 379 . 1 . 1 83 83 PRO CA C 13 63.232 . . . . . . . . 198 P CA . 52859 1 380 . 1 . 1 83 83 PRO CB C 13 32.162 . . . . . . . . 198 P CB . 52859 1 381 . 1 . 1 84 84 LEU H H 1 8.412 . . . . . . . . 199 L HN . 52859 1 382 . 1 . 1 84 84 LEU C C 13 177.624 . . . . . . . . 199 L CO . 52859 1 383 . 1 . 1 84 84 LEU CA C 13 55.185 . . . . . . . . 199 L CA . 52859 1 384 . 1 . 1 84 84 LEU CB C 13 42.360 . . . . . . . . 199 L CB . 52859 1 385 . 1 . 1 84 84 LEU N N 15 122.314 . . . . . . . . 199 L N . 52859 1 386 . 1 . 1 85 85 LYS H H 1 8.559 . . . . . . . . 200 K HN . 52859 1 387 . 1 . 1 85 85 LYS C C 13 176.840 . . . . . . . . 200 K CO . 52859 1 388 . 1 . 1 85 85 LYS CA C 13 56.151 . . . . . . . . 200 K CA . 52859 1 389 . 1 . 1 85 85 LYS CB C 13 32.972 . . . . . . . . 200 K CB . 52859 1 390 . 1 . 1 85 85 LYS N N 15 123.072 . . . . . . . . 200 K N . 52859 1 391 . 1 . 1 86 86 THR H H 1 8.321 . . . . . . . . 201 T HN . 52859 1 392 . 1 . 1 86 86 THR C C 13 175.305 . . . . . . . . 201 T CO . 52859 1 393 . 1 . 1 86 86 THR CA C 13 62.237 . . . . . . . . 201 T CA . 52859 1 394 . 1 . 1 86 86 THR CB C 13 69.801 . . . . . . . . 201 T CB . 52859 1 395 . 1 . 1 86 86 THR N N 15 115.653 . . . . . . . . 201 T N . 52859 1 396 . 1 . 1 87 87 GLY H H 1 8.632 . . . . . . . . 202 G HN . 52859 1 397 . 1 . 1 87 87 GLY C C 13 174.247 . . . . . . . . 202 G CO . 52859 1 398 . 1 . 1 87 87 GLY CA C 13 45.293 . . . . . . . . 202 G CA . 52859 1 399 . 1 . 1 87 87 GLY N N 15 111.518 . . . . . . . . 202 G N . 52859 1 400 . 1 . 1 88 88 GLU H H 1 8.370 . . . . . . . . 203 E HN . 52859 1 401 . 1 . 1 88 88 GLU C C 13 176.592 . . . . . . . . 203 E CO . 52859 1 402 . 1 . 1 88 88 GLU CA C 13 56.500 . . . . . . . . 203 E CA . 52859 1 403 . 1 . 1 88 88 GLU CB C 13 30.481 . . . . . . . . 203 E CB . 52859 1 404 . 1 . 1 88 88 GLU N N 15 120.747 . . . . . . . . 203 E N . 52859 1 405 . 1 . 1 89 89 GLN H H 1 8.666 . . . . . . . . 204 Q HN . 52859 1 406 . 1 . 1 89 89 GLN C C 13 175.951 . . . . . . . . 204 Q CO . 52859 1 407 . 1 . 1 89 89 GLN CA C 13 55.555 . . . . . . . . 204 Q CA . 52859 1 408 . 1 . 1 89 89 GLN CB C 13 29.621 . . . . . . . . 204 Q CB . 52859 1 409 . 1 . 1 89 89 GLN N N 15 121.720 . . . . . . . . 204 Q N . 52859 1 410 . 1 . 1 90 90 THR H H 1 8.458 . . . . . . . . 205 T HN . 52859 1 411 . 1 . 1 90 90 THR C C 13 172.373 . . . . . . . . 205 T CO . 52859 1 412 . 1 . 1 90 90 THR CA C 13 60.201 . . . . . . . . 205 T CA . 52859 1 413 . 1 . 1 90 90 THR CB C 13 69.683 . . . . . . . . 205 T CB . 52859 1 414 . 1 . 1 90 90 THR N N 15 119.343 . . . . . . . . 205 T N . 52859 1 415 . 1 . 1 92 92 PRO C C 13 176.775 . . . . . . . . 207 P CO . 52859 1 416 . 1 . 1 92 92 PRO CA C 13 63.106 . . . . . . . . 207 P CA . 52859 1 417 . 1 . 1 92 92 PRO CB C 13 32.054 . . . . . . . . 207 P CB . 52859 1 418 . 1 . 1 93 93 HIS H H 1 8.413 . . . . . . . . 208 H HN . 52859 1 419 . 1 . 1 93 93 HIS C C 13 175.322 . . . . . . . . 208 H CO . 52859 1 420 . 1 . 1 93 93 HIS CA C 13 56.249 . . . . . . . . 208 H CA . 52859 1 421 . 1 . 1 93 93 HIS CB C 13 30.626 . . . . . . . . 208 H CB . 52859 1 422 . 1 . 1 93 93 HIS N N 15 119.228 . . . . . . . . 208 H N . 52859 1 423 . 1 . 1 94 94 GLU H H 1 8.405 . . . . . . . . 209 E HN . 52859 1 424 . 1 . 1 94 94 GLU C C 13 175.892 . . . . . . . . 209 E CO . 52859 1 425 . 1 . 1 94 94 GLU CA C 13 56.377 . . . . . . . . 209 E CA . 52859 1 426 . 1 . 1 94 94 GLU CB C 13 30.468 . . . . . . . . 209 E CB . 52859 1 427 . 1 . 1 94 94 GLU N N 15 122.383 . . . . . . . . 209 E N . 52859 1 428 . 1 . 1 95 95 HIS H H 1 8.583 . . . . . . . . 210 H HN . 52859 1 429 . 1 . 1 95 95 HIS C C 13 174.986 . . . . . . . . 210 H CO . 52859 1 430 . 1 . 1 95 95 HIS CA C 13 56.139 . . . . . . . . 210 H CA . 52859 1 431 . 1 . 1 95 95 HIS CB C 13 30.711 . . . . . . . . 210 H CB . 52859 1 432 . 1 . 1 95 95 HIS N N 15 121.517 . . . . . . . . 210 H N . 52859 1 433 . 1 . 1 96 96 ILE H H 1 8.246 . . . . . . . . 211 I HN . 52859 1 434 . 1 . 1 96 96 ILE C C 13 175.694 . . . . . . . . 211 I CO . 52859 1 435 . 1 . 1 96 96 ILE CA C 13 60.875 . . . . . . . . 211 I CA . 52859 1 436 . 1 . 1 96 96 ILE CB C 13 38.847 . . . . . . . . 211 I CB . 52859 1 437 . 1 . 1 96 96 ILE N N 15 124.172 . . . . . . . . 211 I N . 52859 1 438 . 1 . 1 97 97 CYS H H 1 8.709 . . . . . . . . 212 C HN . 52859 1 439 . 1 . 1 97 97 CYS C C 13 174.768 . . . . . . . . 212 C CO . 52859 1 440 . 1 . 1 97 97 CYS CA C 13 58.498 . . . . . . . . 212 C CA . 52859 1 441 . 1 . 1 97 97 CYS CB C 13 27.943 . . . . . . . . 212 C CB . 52859 1 442 . 1 . 1 97 97 CYS N N 15 125.227 . . . . . . . . 212 C N . 52859 1 443 . 1 . 1 98 98 LEU H H 1 8.724 . . . . . . . . 213 L HN . 52859 1 444 . 1 . 1 98 98 LEU C C 13 177.620 . . . . . . . . 213 L CO . 52859 1 445 . 1 . 1 98 98 LEU CA C 13 55.381 . . . . . . . . 213 L CA . 52859 1 446 . 1 . 1 98 98 LEU CB C 13 42.279 . . . . . . . . 213 L CB . 52859 1 447 . 1 . 1 98 98 LEU N N 15 126.695 . . . . . . . . 213 L N . 52859 1 448 . 1 . 1 99 99 SER H H 1 8.441 . . . . . . . . 214 S HN . 52859 1 449 . 1 . 1 99 99 SER C C 13 174.446 . . . . . . . . 214 S CO . 52859 1 450 . 1 . 1 99 99 SER CA C 13 58.542 . . . . . . . . 214 S CA . 52859 1 451 . 1 . 1 99 99 SER CB C 13 63.801 . . . . . . . . 214 S CB . 52859 1 452 . 1 . 1 99 99 SER N N 15 116.312 . . . . . . . . 214 S N . 52859 1 453 . 1 . 1 100 100 ASP H H 1 8.438 . . . . . . . . 215 D HN . 52859 1 454 . 1 . 1 100 100 ASP C C 13 176.096 . . . . . . . . 215 D CO . 52859 1 455 . 1 . 1 100 100 ASP CA C 13 54.520 . . . . . . . . 215 D CA . 52859 1 456 . 1 . 1 100 100 ASP CB C 13 41.043 . . . . . . . . 215 D CB . 52859 1 457 . 1 . 1 100 100 ASP N N 15 122.410 . . . . . . . . 215 D N . 52859 1 458 . 1 . 1 101 101 GLU H H 1 8.300 . . . . . . . . 216 E HN . 52859 1 459 . 1 . 1 101 101 GLU C C 13 176.275 . . . . . . . . 216 E CO . 52859 1 460 . 1 . 1 101 101 GLU CA C 13 56.287 . . . . . . . . 216 E CA . 52859 1 461 . 1 . 1 101 101 GLU CB C 13 30.525 . . . . . . . . 216 E CB . 52859 1 462 . 1 . 1 101 101 GLU N N 15 120.657 . . . . . . . . 216 E N . 52859 1 463 . 1 . 1 102 102 LEU H H 1 8.439 . . . . . . . . 217 L HN . 52859 1 464 . 1 . 1 102 102 LEU C C 13 174.836 . . . . . . . . 217 L CO . 52859 1 465 . 1 . 1 102 102 LEU CA C 13 52.974 . . . . . . . . 217 L CA . 52859 1 466 . 1 . 1 102 102 LEU CB C 13 41.546 . . . . . . . . 217 L CB . 52859 1 467 . 1 . 1 102 102 LEU N N 15 125.229 . . . . . . . . 217 L N . 52859 1 468 . 1 . 1 104 104 PRO C C 13 177.154 . . . . . . . . 219 P CO . 52859 1 469 . 1 . 1 104 104 PRO CA C 13 62.988 . . . . . . . . 219 P CA . 52859 1 470 . 1 . 1 104 104 PRO CB C 13 32.062 . . . . . . . . 219 P CB . 52859 1 471 . 1 . 1 105 105 GLN H H 1 8.728 . . . . . . . . 220 Q HN . 52859 1 472 . 1 . 1 105 105 GLN C C 13 176.166 . . . . . . . . 220 Q CO . 52859 1 473 . 1 . 1 105 105 GLN CA C 13 55.772 . . . . . . . . 220 Q CA . 52859 1 474 . 1 . 1 105 105 GLN CB C 13 29.555 . . . . . . . . 220 Q CB . 52859 1 475 . 1 . 1 105 105 GLN N N 15 121.168 . . . . . . . . 220 Q N . 52859 1 476 . 1 . 1 106 106 SER H H 1 8.555 . . . . . . . . 221 S HN . 52859 1 477 . 1 . 1 106 106 SER C C 13 174.569 . . . . . . . . 221 S CO . 52859 1 478 . 1 . 1 106 106 SER CA C 13 58.346 . . . . . . . . 221 S CA . 52859 1 479 . 1 . 1 106 106 SER CB C 13 64.012 . . . . . . . . 221 S CB . 52859 1 480 . 1 . 1 106 106 SER N N 15 117.617 . . . . . . . . 221 S N . 52859 1 481 . 1 . 1 107 107 GLY H H 1 8.406 . . . . . . . . 222 G HN . 52859 1 482 . 1 . 1 107 107 GLY C C 13 177.383 . . . . . . . . 222 G CO . 52859 1 483 . 1 . 1 107 107 GLY CA C 13 44.561 . . . . . . . . 222 G CA . 52859 1 484 . 1 . 1 107 107 GLY N N 15 111.034 . . . . . . . . 222 G N . 52859 1 485 . 1 . 1 108 108 PRO C C 13 176.695 . . . . . . . . 223 P CO . 52859 1 486 . 1 . 1 108 108 PRO CA C 13 62.807 . . . . . . . . 223 P CA . 52859 1 487 . 1 . 1 108 108 PRO CB C 13 32.178 . . . . . . . . 223 P CB . 52859 1 488 . 1 . 1 109 109 ALA H H 1 8.625 . . . . . . . . 224 A HN . 52859 1 489 . 1 . 1 109 109 ALA C C 13 175.775 . . . . . . . . 224 A CO . 52859 1 490 . 1 . 1 109 109 ALA CA C 13 50.547 . . . . . . . . 224 A CA . 52859 1 491 . 1 . 1 109 109 ALA CB C 13 17.905 . . . . . . . . 224 A CB . 52859 1 492 . 1 . 1 109 109 ALA N N 15 126.340 . . . . . . . . 224 A N . 52859 1 493 . 1 . 1 110 110 PRO C C 13 177.27 . . . . . . . . 225 P CO . 52859 1 494 . 1 . 1 110 110 PRO CA C 13 63.056 . . . . . . . . 225 P CA . 52859 1 495 . 1 . 1 110 110 PRO CB C 13 32.206 . . . . . . . . 225 P CB . 52859 1 496 . 1 . 1 111 111 THR H H 1 8.509 . . . . . . . . 226 T HN . 52859 1 497 . 1 . 1 111 111 THR C C 13 174.907 . . . . . . . . 226 T CO . 52859 1 498 . 1 . 1 111 111 THR CA C 13 61.705 . . . . . . . . 226 T CA . 52859 1 499 . 1 . 1 111 111 THR CB C 13 69.892 . . . . . . . . 226 T CB . 52859 1 500 . 1 . 1 111 111 THR N N 15 114.848 . . . . . . . . 226 T N . 52859 1 501 . 1 . 1 112 112 THR H H 1 8.291 . . . . . . . . 227 T HN . 52859 1 502 . 1 . 1 112 112 THR C C 13 174.266 . . . . . . . . 227 T CO . 52859 1 503 . 1 . 1 112 112 THR CA C 13 61.702 . . . . . . . . 227 T CA . 52859 1 504 . 1 . 1 112 112 THR CB C 13 69.997 . . . . . . . . 227 T CB . 52859 1 505 . 1 . 1 112 112 THR N N 15 115.984 . . . . . . . . 227 T N . 52859 1 506 . 1 . 1 113 113 ASP H H 1 8.541 . . . . . . . . 228 D HN . 52859 1 507 . 1 . 1 113 113 ASP C C 13 176.439 . . . . . . . . 228 D CO . 52859 1 508 . 1 . 1 113 113 ASP CA C 13 54.402 . . . . . . . . 228 D CA . 52859 1 509 . 1 . 1 113 113 ASP CB C 13 41.172 . . . . . . . . 228 D CB . 52859 1 510 . 1 . 1 113 113 ASP N N 15 123.310 . . . . . . . . 228 D N . 52859 1 511 . 1 . 1 114 114 ARG H H 1 8.578 . . . . . . . . 229 R HN . 52859 1 512 . 1 . 1 114 114 ARG C C 13 177.138 . . . . . . . . 229 R CO . 52859 1 513 . 1 . 1 114 114 ARG CA C 13 56.300 . . . . . . . . 229 R CA . 52859 1 514 . 1 . 1 114 114 ARG CB C 13 30.500 . . . . . . . . 229 R CB . 52859 1 515 . 1 . 1 114 114 ARG N N 15 122.403 . . . . . . . . 229 R N . 52859 1 516 . 1 . 1 115 115 GLY H H 1 8.635 . . . . . . . . 230 G HN . 52859 1 517 . 1 . 1 115 115 GLY C C 13 174.501 . . . . . . . . 230 G CO . 52859 1 518 . 1 . 1 115 115 GLY CA C 13 45.435 . . . . . . . . 230 G CA . 52859 1 519 . 1 . 1 115 115 GLY N N 15 109.880 . . . . . . . . 230 G N . 52859 1 520 . 1 . 1 116 116 THR H H 1 8.250 . . . . . . . . 231 T HN . 52859 1 521 . 1 . 1 116 116 THR C C 13 174.998 . . . . . . . . 231 T CO . 52859 1 522 . 1 . 1 116 116 THR CA C 13 61.764 . . . . . . . . 231 T CA . 52859 1 523 . 1 . 1 116 116 THR CB C 13 69.955 . . . . . . . . 231 T CB . 52859 1 524 . 1 . 1 116 116 THR N N 15 113.501 . . . . . . . . 231 T N . 52859 1 525 . 1 . 1 117 117 SER H H 1 8.582 . . . . . . . . 232 S HN . 52859 1 526 . 1 . 1 117 117 SER C C 13 175.144 . . . . . . . . 232 S CO . 52859 1 527 . 1 . 1 117 117 SER CA C 13 58.526 . . . . . . . . 232 S CA . 52859 1 528 . 1 . 1 117 117 SER CB C 13 63.876 . . . . . . . . 232 S CB . 52859 1 529 . 1 . 1 117 117 SER N N 15 118.519 . . . . . . . . 232 S N . 52859 1 530 . 1 . 1 118 118 THR H H 1 8.420 . . . . . . . . 233 T HN . 52859 1 531 . 1 . 1 118 118 THR C C 13 174.436 . . . . . . . . 233 T CO . 52859 1 532 . 1 . 1 118 118 THR CA C 13 62.044 . . . . . . . . 233 T CA . 52859 1 533 . 1 . 1 118 118 THR CB C 13 69.569 . . . . . . . . 233 T CB . 52859 1 534 . 1 . 1 118 118 THR N N 15 115.767 . . . . . . . . 233 T N . 52859 1 535 . 1 . 1 119 119 ASP H H 1 8.391 . . . . . . . . 234 D HN . 52859 1 536 . 1 . 1 119 119 ASP C C 13 175.966 . . . . . . . . 234 D CO . 52859 1 537 . 1 . 1 119 119 ASP CA C 13 54.317 . . . . . . . . 234 D CA . 52859 1 538 . 1 . 1 119 119 ASP CB C 13 41.197 . . . . . . . . 234 D CB . 52859 1 539 . 1 . 1 119 119 ASP N N 15 122.571 . . . . . . . . 234 D N . 52859 1 540 . 1 . 1 120 120 SER H H 1 8.326 . . . . . . . . 235 S HN . 52859 1 541 . 1 . 1 120 120 SER C C 13 173.034 . . . . . . . . 235 S CO . 52859 1 542 . 1 . 1 120 120 SER CA C 13 56.461 . . . . . . . . 235 S CA . 52859 1 543 . 1 . 1 120 120 SER CB C 13 63.389 . . . . . . . . 235 S CB . 52859 1 544 . 1 . 1 120 120 SER N N 15 117.385 . . . . . . . . 235 S N . 52859 1 545 . 1 . 1 121 121 PRO C C 13 177.007 . . . . . . . . 236 P CO . 52859 1 546 . 1 . 1 121 121 PRO CA C 13 63.529 . . . . . . . . 236 P CA . 52859 1 547 . 1 . 1 121 121 PRO CB C 13 32.288 . . . . . . . . 236 P CB . 52859 1 548 . 1 . 1 122 122 CYS H H 1 8.499 . . . . . . . . 237 C HN . 52859 1 549 . 1 . 1 122 122 CYS C C 13 175.009 . . . . . . . . 237 C CO . 52859 1 550 . 1 . 1 122 122 CYS CA C 13 58.914 . . . . . . . . 237 C CA . 52859 1 551 . 1 . 1 122 122 CYS CB C 13 28.002 . . . . . . . . 237 C CB . 52859 1 552 . 1 . 1 122 122 CYS N N 15 119.557 . . . . . . . . 237 C N . 52859 1 553 . 1 . 1 123 123 ARG H H 1 8.506 . . . . . . . . 238 R HN . 52859 1 554 . 1 . 1 123 123 ARG C C 13 176.319 . . . . . . . . 238 R CO . 52859 1 555 . 1 . 1 123 123 ARG CA C 13 56.161 . . . . . . . . 238 R CA . 52859 1 556 . 1 . 1 123 123 ARG CB C 13 30.678 . . . . . . . . 238 R CB . 52859 1 557 . 1 . 1 123 123 ARG N N 15 124.356 . . . . . . . . 238 R N . 52859 1 558 . 1 . 1 124 124 ARG H H 1 8.561 . . . . . . . . 239 R HN . 52859 1 559 . 1 . 1 124 124 ARG C C 13 176.560 . . . . . . . . 239 R CO . 52859 1 560 . 1 . 1 124 124 ARG CA C 13 56.147 . . . . . . . . 239 R CA . 52859 1 561 . 1 . 1 124 124 ARG CB C 13 30.922 . . . . . . . . 239 R CB . 52859 1 562 . 1 . 1 124 124 ARG N N 15 123.071 . . . . . . . . 239 R N . 52859 1 563 . 1 . 1 125 125 SER H H 1 8.617 . . . . . . . . 240 S HN . 52859 1 564 . 1 . 1 125 125 SER C C 13 175.052 . . . . . . . . 240 S CO . 52859 1 565 . 1 . 1 125 125 SER CA C 13 58.649 . . . . . . . . 240 S CA . 52859 1 566 . 1 . 1 125 125 SER CB C 13 63.823 . . . . . . . . 240 S CB . 52859 1 567 . 1 . 1 125 125 SER N N 15 117.747 . . . . . . . . 240 S N . 52859 1 568 . 1 . 1 126 126 THR H H 1 8.383 . . . . . . . . 241 T HN . 52859 1 569 . 1 . 1 126 126 THR C C 13 174.594 . . . . . . . . 241 T CO . 52859 1 570 . 1 . 1 126 126 THR CA C 13 61.934 . . . . . . . . 241 T CA . 52859 1 571 . 1 . 1 126 126 THR CB C 13 69.692 . . . . . . . . 241 T CB . 52859 1 572 . 1 . 1 126 126 THR N N 15 116.182 . . . . . . . . 241 T N . 52859 1 573 . 1 . 1 127 127 ALA H H 1 8.432 . . . . . . . . 242 A HN . 52859 1 574 . 1 . 1 127 127 ALA C C 13 178.157 . . . . . . . . 242 A CO . 52859 1 575 . 1 . 1 127 127 ALA CA C 13 52.914 . . . . . . . . 242 A CA . 52859 1 576 . 1 . 1 127 127 ALA CB C 13 19.234 . . . . . . . . 242 A CB . 52859 1 577 . 1 . 1 127 127 ALA N N 15 126.312 . . . . . . . . 242 A N . 52859 1 578 . 1 . 1 128 128 THR H H 1 8.263 . . . . . . . . 243 T HN . 52859 1 579 . 1 . 1 128 128 THR C C 13 174.578 . . . . . . . . 243 T CO . 52859 1 580 . 1 . 1 128 128 THR CA C 13 62.179 . . . . . . . . 243 T CA . 52859 1 581 . 1 . 1 128 128 THR CB C 13 69.777 . . . . . . . . 243 T CB . 52859 1 582 . 1 . 1 128 128 THR N N 15 113.957 . . . . . . . . 243 T N . 52859 1 583 . 1 . 1 129 129 GLN H H 1 8.484 . . . . . . . . 244 Q HN . 52859 1 584 . 1 . 1 129 129 GLN C C 13 175.784 . . . . . . . . 244 Q CO . 52859 1 585 . 1 . 1 129 129 GLN CA C 13 55.748 . . . . . . . . 244 Q CA . 52859 1 586 . 1 . 1 129 129 GLN CB C 13 29.586 . . . . . . . . 244 Q CB . 52859 1 587 . 1 . 1 129 129 GLN N N 15 123.195 . . . . . . . . 244 Q N . 52859 1 588 . 1 . 1 130 130 MET H H 1 8.558 . . . . . . . . 245 M HN . 52859 1 589 . 1 . 1 130 130 MET C C 13 175.698 . . . . . . . . 245 M CO . 52859 1 590 . 1 . 1 130 130 MET CA C 13 55.232 . . . . . . . . 245 M CA . 52859 1 591 . 1 . 1 130 130 MET CB C 13 33.102 . . . . . . . . 245 M CB . 52859 1 592 . 1 . 1 130 130 MET N N 15 122.616 . . . . . . . . 245 M N . 52859 1 593 . 1 . 1 131 131 ALA H H 1 8.517 . . . . . . . . 246 A HN . 52859 1 594 . 1 . 1 131 131 ALA C C 13 174.956 . . . . . . . . 246 A CO . 52859 1 595 . 1 . 1 131 131 ALA CA C 13 50.516 . . . . . . . . 246 A CA . 52859 1 596 . 1 . 1 131 131 ALA CB C 13 18.010 . . . . . . . . 246 A CB . 52859 1 597 . 1 . 1 131 131 ALA N N 15 127.324 . . . . . . . . 246 A N . 52859 1 598 . 1 . 1 133 133 PRO C C 13 177.756 . . . . . . . . 248 P CO . 52859 1 599 . 1 . 1 133 133 PRO CA C 13 63.406 . . . . . . . . 248 P CA . 52859 1 600 . 1 . 1 133 133 PRO CB C 13 32.035 . . . . . . . . 248 P CB . 52859 1 601 . 1 . 1 134 134 GLY H H 1 8.666 . . . . . . . . 249 G HN . 52859 1 602 . 1 . 1 134 134 GLY C C 13 174.480 . . . . . . . . 249 G CO . 52859 1 603 . 1 . 1 134 134 GLY CA C 13 45.130 . . . . . . . . 249 G CA . 52859 1 604 . 1 . 1 134 134 GLY N N 15 109.596 . . . . . . . . 249 G N . 52859 1 605 . 1 . 1 135 135 GLY H H 1 8.219 . . . . . . . . 250 G HN . 52859 1 606 . 1 . 1 135 135 GLY C C 13 177.188 . . . . . . . . 250 G CO . 52859 1 607 . 1 . 1 135 135 GLY CA C 13 44.367 . . . . . . . . 250 G CA . 52859 1 608 . 1 . 1 135 135 GLY N N 15 108.996 . . . . . . . . 250 G N . 52859 1 609 . 1 . 1 137 137 PRO C C 13 176.654 . . . . . . . . 252 P CO . 52859 1 610 . 1 . 1 137 137 PRO CA C 13 62.798 . . . . . . . . 252 P CA . 52859 1 611 . 1 . 1 137 137 PRO CB C 13 32.086 . . . . . . . . 252 P CB . 52859 1 612 . 1 . 1 138 138 ALA H H 1 8.558 . . . . . . . . 253 A HN . 52859 1 613 . 1 . 1 138 138 ALA C C 13 177.251 . . . . . . . . 253 A CO . 52859 1 614 . 1 . 1 138 138 ALA CA C 13 52.156 . . . . . . . . 253 A CA . 52859 1 615 . 1 . 1 138 138 ALA CB C 13 19.293 . . . . . . . . 253 A CB . 52859 1 616 . 1 . 1 138 138 ALA N N 15 124.788 . . . . . . . . 253 A N . 52859 1 617 . 1 . 1 139 139 ALA H H 1 8.464 . . . . . . . . 254 A HN . 52859 1 618 . 1 . 1 139 139 ALA C C 13 175.055 . . . . . . . . 254 A CO . 52859 1 619 . 1 . 1 139 139 ALA CA C 13 50.276 . . . . . . . . 254 A CA . 52859 1 620 . 1 . 1 139 139 ALA CB C 13 18.118 . . . . . . . . 254 A CB . 52859 1 621 . 1 . 1 139 139 ALA N N 15 125.104 . . . . . . . . 254 A N . 52859 1 622 . 1 . 1 141 141 PRO C C 13 177.756 . . . . . . . . 256 P CO . 52859 1 623 . 1 . 1 141 141 PRO CA C 13 63.406 . . . . . . . . 256 P CA . 52859 1 624 . 1 . 1 141 141 PRO CB C 13 32.028 . . . . . . . . 256 P CB . 52859 1 625 . 1 . 1 142 142 GLY H H 1 8.665 . . . . . . . . 257 G HN . 52859 1 626 . 1 . 1 142 142 GLY C C 13 174.900 . . . . . . . . 257 G CO . 52859 1 627 . 1 . 1 142 142 GLY CA C 13 45.226 . . . . . . . . 257 G CA . 52859 1 628 . 1 . 1 142 142 GLY N N 15 109.596 . . . . . . . . 257 G N . 52859 1 629 . 1 . 1 143 143 GLY H H 1 8.379 . . . . . . . . 258 G HN . 52859 1 630 . 1 . 1 143 143 GLY C C 13 174.326 . . . . . . . . 258 G CO . 52859 1 631 . 1 . 1 143 143 GLY CA C 13 45.238 . . . . . . . . 258 G CA . 52859 1 632 . 1 . 1 143 143 GLY N N 15 108.745 . . . . . . . . 258 G N . 52859 1 633 . 1 . 1 144 144 ARG H H 1 8.500 . . . . . . . . 259 R HN . 52859 1 634 . 1 . 1 144 144 ARG C C 13 177.067 . . . . . . . . 259 R CO . 52859 1 635 . 1 . 1 144 144 ARG CA C 13 56.331 . . . . . . . . 259 R CA . 52859 1 636 . 1 . 1 144 144 ARG CB C 13 30.758 . . . . . . . . 259 R CB . 52859 1 637 . 1 . 1 144 144 ARG N N 15 120.417 . . . . . . . . 259 R N . 52859 1 638 . 1 . 1 145 145 GLY H H 1 8.644 . . . . . . . . 260 G HN . 52859 1 639 . 1 . 1 145 145 GLY C C 13 174.039 . . . . . . . . 260 G CO . 52859 1 640 . 1 . 1 145 145 GLY CA C 13 45.327 . . . . . . . . 260 G CA . 52859 1 641 . 1 . 1 145 145 GLY N N 15 110.092 . . . . . . . . 260 G N . 52859 1 642 . 1 . 1 148 148 HIS C C 13 175.410 . . . . . . . . 263 H CO . 52859 1 643 . 1 . 1 148 148 HIS CA C 13 56.761 . . . . . . . . 263 H CA . 52859 1 644 . 1 . 1 148 148 HIS CB C 13 30.784 . . . . . . . . 263 H CB . 52859 1 645 . 1 . 1 149 149 ARG H H 1 8.270 . . . . . . . . 264 R HN . 52859 1 646 . 1 . 1 149 149 ARG C C 13 175.902 . . . . . . . . 264 R CO . 52859 1 647 . 1 . 1 149 149 ARG CA C 13 56.105 . . . . . . . . 264 R CA . 52859 1 648 . 1 . 1 149 149 ARG CB C 13 31.052 . . . . . . . . 264 R CB . 52859 1 649 . 1 . 1 149 149 ARG N N 15 122.276 . . . . . . . . 264 R N . 52859 1 650 . 1 . 1 150 150 ASP H H 1 8.573 . . . . . . . . 265 D HN . 52859 1 651 . 1 . 1 150 150 ASP C C 13 175.222 . . . . . . . . 265 D CO . 52859 1 652 . 1 . 1 150 150 ASP CA C 13 54.662 . . . . . . . . 265 D CA . 52859 1 653 . 1 . 1 150 150 ASP CB C 13 41.138 . . . . . . . . 265 D CB . 52859 1 654 . 1 . 1 150 150 ASP N N 15 121.850 . . . . . . . . 265 D N . 52859 1 655 . 1 . 1 151 151 ARG H H 1 7.938 . . . . . . . . 266 R HN . 52859 1 656 . 1 . 1 151 151 ARG C C 13 174.952 . . . . . . . . 266 R CO . 52859 1 657 . 1 . 1 151 151 ARG CA C 13 57.419 . . . . . . . . 266 R CA . 52859 1 658 . 1 . 1 151 151 ARG CB C 13 31.402 . . . . . . . . 266 R CB . 52859 1 659 . 1 . 1 151 151 ARG N N 15 125.340 . . . . . . . . 266 R N . 52859 1 stop_ save_