data_36084 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36084 _Entry.Title ; Solution structure of C-terminal domain of TRADD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-05-15 _Entry.Accession_date 2017-06-06 _Entry.Last_release_date 2017-06-06 _Entry.Original_release_date 2017-06-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.99 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Z. Lin Z. . . . 36084 2 N. Zhang N. . . . 36084 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID APOPTOSIS . 36084 TRADD . 36084 'death domain' . 36084 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36084 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 384 36084 '15N chemical shifts' 126 36084 '1H chemical shifts' 810 36084 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 . . 2017-06-26 . original BMRB . 36084 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5XME 'BMRB Entry Tracking System' 36084 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36084 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the carboxyl-terminal domain of TRADD reveals a unique fold in the death domain superfamily ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Z. Lin Z. . . . 36084 1 2 N. Zhang N. . . . 36084 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36084 _Assembly.ID 1 _Assembly.Name 'TRADD DD' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _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 entity_1 1 $entity_1 A A yes . . . . . . 36084 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36084 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MHHHHHHSSGRGSAQTFLFQ GQPVVNRPLSLKDQQTFARS VGLKWRKVGRSLQRGCRALR DPALDSLAYEYEREGLYEQA FQLLRRFVQAEGRRATLQRL VEALEENELTSLAEDLLGLT DPNGGLA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP RESIDUES 199-312' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14429.224 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'TNFR1-associated DEATH domain protein' na 36084 1 'TNFRSF1A-associated via death domain' na 36084 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 36084 1 2 . HIS . 36084 1 3 . HIS . 36084 1 4 . HIS . 36084 1 5 . HIS . 36084 1 6 . HIS . 36084 1 7 . HIS . 36084 1 8 . SER . 36084 1 9 . SER . 36084 1 10 . GLY . 36084 1 11 . ARG . 36084 1 12 . GLY . 36084 1 13 . SER . 36084 1 14 199 ALA . 36084 1 15 200 GLN . 36084 1 16 201 THR . 36084 1 17 202 PHE . 36084 1 18 203 LEU . 36084 1 19 204 PHE . 36084 1 20 205 GLN . 36084 1 21 206 GLY . 36084 1 22 207 GLN . 36084 1 23 208 PRO . 36084 1 24 209 VAL . 36084 1 25 210 VAL . 36084 1 26 211 ASN . 36084 1 27 212 ARG . 36084 1 28 213 PRO . 36084 1 29 214 LEU . 36084 1 30 215 SER . 36084 1 31 216 LEU . 36084 1 32 217 LYS . 36084 1 33 218 ASP . 36084 1 34 219 GLN . 36084 1 35 220 GLN . 36084 1 36 221 THR . 36084 1 37 222 PHE . 36084 1 38 223 ALA . 36084 1 39 224 ARG . 36084 1 40 225 SER . 36084 1 41 226 VAL . 36084 1 42 227 GLY . 36084 1 43 228 LEU . 36084 1 44 229 LYS . 36084 1 45 230 TRP . 36084 1 46 231 ARG . 36084 1 47 232 LYS . 36084 1 48 233 VAL . 36084 1 49 234 GLY . 36084 1 50 235 ARG . 36084 1 51 236 SER . 36084 1 52 237 LEU . 36084 1 53 238 GLN . 36084 1 54 239 ARG . 36084 1 55 240 GLY . 36084 1 56 241 CYS . 36084 1 57 242 ARG . 36084 1 58 243 ALA . 36084 1 59 244 LEU . 36084 1 60 245 ARG . 36084 1 61 246 ASP . 36084 1 62 247 PRO . 36084 1 63 248 ALA . 36084 1 64 249 LEU . 36084 1 65 250 ASP . 36084 1 66 251 SER . 36084 1 67 252 LEU . 36084 1 68 253 ALA . 36084 1 69 254 TYR . 36084 1 70 255 GLU . 36084 1 71 256 TYR . 36084 1 72 257 GLU . 36084 1 73 258 ARG . 36084 1 74 259 GLU . 36084 1 75 260 GLY . 36084 1 76 261 LEU . 36084 1 77 262 TYR . 36084 1 78 263 GLU . 36084 1 79 264 GLN . 36084 1 80 265 ALA . 36084 1 81 266 PHE . 36084 1 82 267 GLN . 36084 1 83 268 LEU . 36084 1 84 269 LEU . 36084 1 85 270 ARG . 36084 1 86 271 ARG . 36084 1 87 272 PHE . 36084 1 88 273 VAL . 36084 1 89 274 GLN . 36084 1 90 275 ALA . 36084 1 91 276 GLU . 36084 1 92 277 GLY . 36084 1 93 278 ARG . 36084 1 94 279 ARG . 36084 1 95 280 ALA . 36084 1 96 281 THR . 36084 1 97 282 LEU . 36084 1 98 283 GLN . 36084 1 99 284 ARG . 36084 1 100 285 LEU . 36084 1 101 286 VAL . 36084 1 102 287 GLU . 36084 1 103 288 ALA . 36084 1 104 289 LEU . 36084 1 105 290 GLU . 36084 1 106 291 GLU . 36084 1 107 292 ASN . 36084 1 108 293 GLU . 36084 1 109 294 LEU . 36084 1 110 295 THR . 36084 1 111 296 SER . 36084 1 112 297 LEU . 36084 1 113 298 ALA . 36084 1 114 299 GLU . 36084 1 115 300 ASP . 36084 1 116 301 LEU . 36084 1 117 302 LEU . 36084 1 118 303 GLY . 36084 1 119 304 LEU . 36084 1 120 305 THR . 36084 1 121 306 ASP . 36084 1 122 307 PRO . 36084 1 123 308 ASN . 36084 1 124 309 GLY . 36084 1 125 310 GLY . 36084 1 126 311 LEU . 36084 1 127 312 ALA . 36084 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 36084 1 . HIS 2 2 36084 1 . HIS 3 3 36084 1 . HIS 4 4 36084 1 . HIS 5 5 36084 1 . HIS 6 6 36084 1 . HIS 7 7 36084 1 . SER 8 8 36084 1 . SER 9 9 36084 1 . GLY 10 10 36084 1 . ARG 11 11 36084 1 . GLY 12 12 36084 1 . SER 13 13 36084 1 . ALA 14 14 36084 1 . GLN 15 15 36084 1 . THR 16 16 36084 1 . PHE 17 17 36084 1 . LEU 18 18 36084 1 . PHE 19 19 36084 1 . GLN 20 20 36084 1 . GLY 21 21 36084 1 . GLN 22 22 36084 1 . PRO 23 23 36084 1 . VAL 24 24 36084 1 . VAL 25 25 36084 1 . ASN 26 26 36084 1 . ARG 27 27 36084 1 . PRO 28 28 36084 1 . LEU 29 29 36084 1 . SER 30 30 36084 1 . LEU 31 31 36084 1 . LYS 32 32 36084 1 . ASP 33 33 36084 1 . GLN 34 34 36084 1 . GLN 35 35 36084 1 . THR 36 36 36084 1 . PHE 37 37 36084 1 . ALA 38 38 36084 1 . ARG 39 39 36084 1 . SER 40 40 36084 1 . VAL 41 41 36084 1 . GLY 42 42 36084 1 . LEU 43 43 36084 1 . LYS 44 44 36084 1 . TRP 45 45 36084 1 . ARG 46 46 36084 1 . LYS 47 47 36084 1 . VAL 48 48 36084 1 . GLY 49 49 36084 1 . ARG 50 50 36084 1 . SER 51 51 36084 1 . LEU 52 52 36084 1 . GLN 53 53 36084 1 . ARG 54 54 36084 1 . GLY 55 55 36084 1 . CYS 56 56 36084 1 . ARG 57 57 36084 1 . ALA 58 58 36084 1 . LEU 59 59 36084 1 . ARG 60 60 36084 1 . ASP 61 61 36084 1 . PRO 62 62 36084 1 . ALA 63 63 36084 1 . LEU 64 64 36084 1 . ASP 65 65 36084 1 . SER 66 66 36084 1 . LEU 67 67 36084 1 . ALA 68 68 36084 1 . TYR 69 69 36084 1 . GLU 70 70 36084 1 . TYR 71 71 36084 1 . GLU 72 72 36084 1 . ARG 73 73 36084 1 . GLU 74 74 36084 1 . GLY 75 75 36084 1 . LEU 76 76 36084 1 . TYR 77 77 36084 1 . GLU 78 78 36084 1 . GLN 79 79 36084 1 . ALA 80 80 36084 1 . PHE 81 81 36084 1 . GLN 82 82 36084 1 . LEU 83 83 36084 1 . LEU 84 84 36084 1 . ARG 85 85 36084 1 . ARG 86 86 36084 1 . PHE 87 87 36084 1 . VAL 88 88 36084 1 . GLN 89 89 36084 1 . ALA 90 90 36084 1 . GLU 91 91 36084 1 . GLY 92 92 36084 1 . ARG 93 93 36084 1 . ARG 94 94 36084 1 . ALA 95 95 36084 1 . THR 96 96 36084 1 . LEU 97 97 36084 1 . GLN 98 98 36084 1 . ARG 99 99 36084 1 . LEU 100 100 36084 1 . VAL 101 101 36084 1 . GLU 102 102 36084 1 . ALA 103 103 36084 1 . LEU 104 104 36084 1 . GLU 105 105 36084 1 . GLU 106 106 36084 1 . ASN 107 107 36084 1 . GLU 108 108 36084 1 . LEU 109 109 36084 1 . THR 110 110 36084 1 . SER 111 111 36084 1 . LEU 112 112 36084 1 . ALA 113 113 36084 1 . GLU 114 114 36084 1 . ASP 115 115 36084 1 . LEU 116 116 36084 1 . LEU 117 117 36084 1 . GLY 118 118 36084 1 . LEU 119 119 36084 1 . THR 120 120 36084 1 . ASP 121 121 36084 1 . PRO 122 122 36084 1 . ASN 123 123 36084 1 . GLY 124 124 36084 1 . GLY 125 125 36084 1 . LEU 126 126 36084 1 . ALA 127 127 36084 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 36084 _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 . . . . . . . . . . . TRADD . 36084 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 36084 _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' . . 562 Escherichia coli . . . . . . . . . . 36084 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36084 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.6 mM U-99% 13C; U-99% 15N;U-98% 2H TRADD DD, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'TRADD DD' '[U-99% 13C; U-99% 15N; U-98% 2H]' . . 1 $entity_1 . protein 0.6 . . mM . . . . 36084 1 2 D10-DTT 'natural abundance' . . . . . . 10 . . mM . . . . 36084 1 3 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36084 1 4 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36084 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 36084 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.0 . pH 36084 1 pressure 1 . atm 36084 1 temperature 301 . K 36084 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36084 _Software.ID 1 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 36084 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 36084 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36084 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36084 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 36084 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36084 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 36084 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 36084 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36084 _Software.ID 4 _Software.Name NMRpipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36084 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 36084 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 36084 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 36084 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 800 . . . 36084 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 36084 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36084 1 2 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36084 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36084 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36084 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36084 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36084 1 7 '4D 13C, 15N-edited NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36084 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 36084 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 36084 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 36084 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 36084 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 36084 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36084 1 2 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 36084 1 3 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 36084 1 4 '3D HNCA' 1 $sample_1 isotropic 36084 1 5 '3D HN(CO)CA' 1 $sample_1 isotropic 36084 1 6 '3D HCCH-TOCSY' 1 $sample_1 isotropic 36084 1 7 '4D 13C, 15N-edited NOESY' 1 $sample_1 isotropic 36084 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 14 14 ALA HA H 1 4.372 0.02 . 1 . . . A 199 ALA HA . 36084 1 2 . 1 1 14 14 ALA HB1 H 1 1.428 0.02 . 1 . . . A 199 ALA HB1 . 36084 1 3 . 1 1 14 14 ALA HB2 H 1 1.428 0.02 . 1 . . . A 199 ALA HB2 . 36084 1 4 . 1 1 14 14 ALA HB3 H 1 1.428 0.02 . 1 . . . A 199 ALA HB3 . 36084 1 5 . 1 1 14 14 ALA CA C 13 52.589 0.2 . 1 . . . A 199 ALA CA . 36084 1 6 . 1 1 14 14 ALA CB C 13 19.460 0.2 . 1 . . . A 199 ALA CB . 36084 1 7 . 1 1 14 14 ALA N N 15 125.496 0.1 . 1 . . . A 199 ALA N . 36084 1 8 . 1 1 15 15 GLN H H 1 8.507 0.02 . 1 . . . A 200 GLN H . 36084 1 9 . 1 1 15 15 GLN HA H 1 4.459 0.02 . 1 . . . A 200 GLN HA . 36084 1 10 . 1 1 15 15 GLN HB2 H 1 2.262 0.02 . 2 . . . A 200 GLN HB2 . 36084 1 11 . 1 1 15 15 GLN HB3 H 1 2.056 0.02 . 2 . . . A 200 GLN HB3 . 36084 1 12 . 1 1 15 15 GLN HG2 H 1 2.486 0.02 . 2 . . . A 200 GLN HG2 . 36084 1 13 . 1 1 15 15 GLN HG3 H 1 2.411 0.02 . 2 . . . A 200 GLN HG3 . 36084 1 14 . 1 1 15 15 GLN HE21 H 1 7.504 0.02 . 2 . . . A 200 GLN HE21 . 36084 1 15 . 1 1 15 15 GLN HE22 H 1 6.870 0.02 . 2 . . . A 200 GLN HE22 . 36084 1 16 . 1 1 15 15 GLN CA C 13 56.160 0.2 . 1 . . . A 200 GLN CA . 36084 1 17 . 1 1 15 15 GLN CB C 13 29.440 0.2 . 1 . . . A 200 GLN CB . 36084 1 18 . 1 1 15 15 GLN CG C 13 34.071 0.2 . 1 . . . A 200 GLN CG . 36084 1 19 . 1 1 15 15 GLN N N 15 120.000 0.1 . 1 . . . A 200 GLN N . 36084 1 20 . 1 1 15 15 GLN NE2 N 15 112.429 0.1 . 1 . . . A 200 GLN NE2 . 36084 1 21 . 1 1 16 16 THR H H 1 8.040 0.02 . 1 . . . A 201 THR H . 36084 1 22 . 1 1 16 16 THR HA H 1 5.364 0.02 . 1 . . . A 201 THR HA . 36084 1 23 . 1 1 16 16 THR HB H 1 3.964 0.02 . 1 . . . A 201 THR HB . 36084 1 24 . 1 1 16 16 THR HG21 H 1 1.009 0.02 . 1 . . . A 201 THR HG21 . 36084 1 25 . 1 1 16 16 THR HG22 H 1 1.009 0.02 . 1 . . . A 201 THR HG22 . 36084 1 26 . 1 1 16 16 THR HG23 H 1 1.009 0.02 . 1 . . . A 201 THR HG23 . 36084 1 27 . 1 1 16 16 THR CA C 13 59.899 0.2 . 1 . . . A 201 THR CA . 36084 1 28 . 1 1 16 16 THR CB C 13 72.450 0.2 . 1 . . . A 201 THR CB . 36084 1 29 . 1 1 16 16 THR CG2 C 13 21.300 0.2 . 1 . . . A 201 THR CG2 . 36084 1 30 . 1 1 16 16 THR N N 15 112.980 0.1 . 1 . . . A 201 THR N . 36084 1 31 . 1 1 17 17 PHE H H 1 9.024 0.02 . 1 . . . A 202 PHE H . 36084 1 32 . 1 1 17 17 PHE HA H 1 4.937 0.02 . 1 . . . A 202 PHE HA . 36084 1 33 . 1 1 17 17 PHE HB2 H 1 2.898 0.02 . 2 . . . A 202 PHE HB2 . 36084 1 34 . 1 1 17 17 PHE HB3 H 1 3.151 0.02 . 2 . . . A 202 PHE HB3 . 36084 1 35 . 1 1 17 17 PHE HD1 H 1 7.026 0.02 . 3 . . . A 202 PHE HD1 . 36084 1 36 . 1 1 17 17 PHE HE1 H 1 6.993 0.02 . 3 . . . A 202 PHE HE1 . 36084 1 37 . 1 1 17 17 PHE HZ H 1 6.756 0.02 . 1 . . . A 202 PHE HZ . 36084 1 38 . 1 1 17 17 PHE CA C 13 55.200 0.2 . 1 . . . A 202 PHE CA . 36084 1 39 . 1 1 17 17 PHE CB C 13 41.150 0.2 . 1 . . . A 202 PHE CB . 36084 1 40 . 1 1 17 17 PHE CD1 C 13 133.300 0.2 . 3 . . . A 202 PHE CD1 . 36084 1 41 . 1 1 17 17 PHE CE1 C 13 130.151 0.2 . 3 . . . A 202 PHE CE1 . 36084 1 42 . 1 1 17 17 PHE CZ C 13 128.170 0.2 . 1 . . . A 202 PHE CZ . 36084 1 43 . 1 1 17 17 PHE N N 15 119.361 0.1 . 1 . . . A 202 PHE N . 36084 1 44 . 1 1 18 18 LEU H H 1 8.520 0.02 . 1 . . . A 203 LEU H . 36084 1 45 . 1 1 18 18 LEU HA H 1 4.700 0.02 . 1 . . . A 203 LEU HA . 36084 1 46 . 1 1 18 18 LEU HB2 H 1 1.720 0.02 . 2 . . . A 203 LEU HB2 . 36084 1 47 . 1 1 18 18 LEU HB3 H 1 1.057 0.02 . 2 . . . A 203 LEU HB3 . 36084 1 48 . 1 1 18 18 LEU HG H 1 1.475 0.02 . 1 . . . A 203 LEU HG . 36084 1 49 . 1 1 18 18 LEU HD11 H 1 0.742 0.02 . 2 . . . A 203 LEU HD11 . 36084 1 50 . 1 1 18 18 LEU HD12 H 1 0.742 0.02 . 2 . . . A 203 LEU HD12 . 36084 1 51 . 1 1 18 18 LEU HD13 H 1 0.742 0.02 . 2 . . . A 203 LEU HD13 . 36084 1 52 . 1 1 18 18 LEU HD21 H 1 0.500 0.02 . 2 . . . A 203 LEU HD21 . 36084 1 53 . 1 1 18 18 LEU HD22 H 1 0.500 0.02 . 2 . . . A 203 LEU HD22 . 36084 1 54 . 1 1 18 18 LEU HD23 H 1 0.500 0.02 . 2 . . . A 203 LEU HD23 . 36084 1 55 . 1 1 18 18 LEU CA C 13 53.964 0.2 . 1 . . . A 203 LEU CA . 36084 1 56 . 1 1 18 18 LEU CB C 13 43.931 0.2 . 1 . . . A 203 LEU CB . 36084 1 57 . 1 1 18 18 LEU CG C 13 26.746 0.2 . 1 . . . A 203 LEU CG . 36084 1 58 . 1 1 18 18 LEU CD1 C 13 24.900 0.2 . 1 . . . A 203 LEU CD1 . 36084 1 59 . 1 1 18 18 LEU CD2 C 13 22.900 0.2 . 1 . . . A 203 LEU CD2 . 36084 1 60 . 1 1 18 18 LEU N N 15 120.050 0.1 . 1 . . . A 203 LEU N . 36084 1 61 . 1 1 19 19 PHE H H 1 8.956 0.02 . 1 . . . A 204 PHE H . 36084 1 62 . 1 1 19 19 PHE HA H 1 4.687 0.02 . 1 . . . A 204 PHE HA . 36084 1 63 . 1 1 19 19 PHE HB2 H 1 2.730 0.02 . 2 . . . A 204 PHE HB2 . 36084 1 64 . 1 1 19 19 PHE HB3 H 1 2.680 0.02 . 2 . . . A 204 PHE HB3 . 36084 1 65 . 1 1 19 19 PHE HD1 H 1 7.162 0.02 . 3 . . . A 204 PHE HD1 . 36084 1 66 . 1 1 19 19 PHE HE1 H 1 7.111 0.02 . 3 . . . A 204 PHE HE1 . 36084 1 67 . 1 1 19 19 PHE HZ H 1 7.123 0.02 . 1 . . . A 204 PHE HZ . 36084 1 68 . 1 1 19 19 PHE CA C 13 57.286 0.2 . 1 . . . A 204 PHE CA . 36084 1 69 . 1 1 19 19 PHE CB C 13 41.796 0.2 . 1 . . . A 204 PHE CB . 36084 1 70 . 1 1 19 19 PHE CD1 C 13 132.290 0.2 . 3 . . . A 204 PHE CD1 . 36084 1 71 . 1 1 19 19 PHE CE1 C 13 130.977 0.2 . 3 . . . A 204 PHE CE1 . 36084 1 72 . 1 1 19 19 PHE CZ C 13 129.253 0.2 . 1 . . . A 204 PHE CZ . 36084 1 73 . 1 1 19 19 PHE N N 15 123.616 0.1 . 1 . . . A 204 PHE N . 36084 1 74 . 1 1 20 20 GLN H H 1 9.066 0.02 . 1 . . . A 205 GLN H . 36084 1 75 . 1 1 20 20 GLN HA H 1 3.513 0.02 . 1 . . . A 205 GLN HA . 36084 1 76 . 1 1 20 20 GLN HB2 H 1 1.629 0.02 . 2 . . . A 205 GLN HB2 . 36084 1 77 . 1 1 20 20 GLN HB3 H 1 1.857 0.02 . 2 . . . A 205 GLN HB3 . 36084 1 78 . 1 1 20 20 GLN HG2 H 1 1.429 0.02 . 2 . . . A 205 GLN HG2 . 36084 1 79 . 1 1 20 20 GLN HG3 H 1 1.115 0.02 . 2 . . . A 205 GLN HG3 . 36084 1 80 . 1 1 20 20 GLN HE21 H 1 6.970 0.02 . 2 . . . A 205 GLN HE21 . 36084 1 81 . 1 1 20 20 GLN HE22 H 1 6.606 0.02 . 2 . . . A 205 GLN HE22 . 36084 1 82 . 1 1 20 20 GLN CA C 13 56.328 0.2 . 1 . . . A 205 GLN CA . 36084 1 83 . 1 1 20 20 GLN CB C 13 25.718 0.2 . 1 . . . A 205 GLN CB . 36084 1 84 . 1 1 20 20 GLN CG C 13 33.320 0.2 . 1 . . . A 205 GLN CG . 36084 1 85 . 1 1 20 20 GLN N N 15 126.370 0.1 . 1 . . . A 205 GLN N . 36084 1 86 . 1 1 20 20 GLN NE2 N 15 110.500 0.1 . 1 . . . A 205 GLN NE2 . 36084 1 87 . 1 1 21 21 GLY H H 1 8.329 0.02 . 1 . . . A 206 GLY H . 36084 1 88 . 1 1 21 21 GLY HA2 H 1 4.097 0.02 . 2 . . . A 206 GLY HA2 . 36084 1 89 . 1 1 21 21 GLY HA3 H 1 3.456 0.02 . 2 . . . A 206 GLY HA3 . 36084 1 90 . 1 1 21 21 GLY CA C 13 45.320 0.2 . 1 . . . A 206 GLY CA . 36084 1 91 . 1 1 21 21 GLY N N 15 102.200 0.1 . 1 . . . A 206 GLY N . 36084 1 92 . 1 1 22 22 GLN H H 1 7.850 0.02 . 1 . . . A 207 GLN H . 36084 1 93 . 1 1 22 22 GLN HA H 1 4.889 0.02 . 1 . . . A 207 GLN HA . 36084 1 94 . 1 1 22 22 GLN HB2 H 1 2.083 0.02 . 2 . . . A 207 GLN HB2 . 36084 1 95 . 1 1 22 22 GLN HB3 H 1 2.033 0.02 . 2 . . . A 207 GLN HB3 . 36084 1 96 . 1 1 22 22 GLN HG2 H 1 2.304 0.02 . 2 . . . A 207 GLN HG2 . 36084 1 97 . 1 1 22 22 GLN HG3 H 1 2.304 0.02 . 2 . . . A 207 GLN HG3 . 36084 1 98 . 1 1 22 22 GLN HE21 H 1 7.440 0.02 . 2 . . . A 207 GLN HE21 . 36084 1 99 . 1 1 22 22 GLN HE22 H 1 6.851 0.02 . 2 . . . A 207 GLN HE22 . 36084 1 100 . 1 1 22 22 GLN CA C 13 51.991 0.2 . 1 . . . A 207 GLN CA . 36084 1 101 . 1 1 22 22 GLN CB C 13 30.439 0.2 . 1 . . . A 207 GLN CB . 36084 1 102 . 1 1 22 22 GLN CG C 13 33.167 0.2 . 1 . . . A 207 GLN CG . 36084 1 103 . 1 1 22 22 GLN N N 15 120.310 0.1 . 1 . . . A 207 GLN N . 36084 1 104 . 1 1 22 22 GLN NE2 N 15 111.915 0.1 . 1 . . . A 207 GLN NE2 . 36084 1 105 . 1 1 23 23 PRO HA H 1 4.599 0.02 . 1 . . . A 208 PRO HA . 36084 1 106 . 1 1 23 23 PRO HB2 H 1 1.738 0.02 . 2 . . . A 208 PRO HB2 . 36084 1 107 . 1 1 23 23 PRO HB3 H 1 1.972 0.02 . 2 . . . A 208 PRO HB3 . 36084 1 108 . 1 1 23 23 PRO HG2 H 1 1.879 0.02 . 2 . . . A 208 PRO HG2 . 36084 1 109 . 1 1 23 23 PRO HG3 H 1 2.130 0.02 . 2 . . . A 208 PRO HG3 . 36084 1 110 . 1 1 23 23 PRO HD2 H 1 3.692 0.02 . 2 . . . A 208 PRO HD2 . 36084 1 111 . 1 1 23 23 PRO HD3 H 1 3.692 0.02 . 2 . . . A 208 PRO HD3 . 36084 1 112 . 1 1 23 23 PRO CA C 13 62.453 0.2 . 1 . . . A 208 PRO CA . 36084 1 113 . 1 1 23 23 PRO CB C 13 31.500 0.2 . 1 . . . A 208 PRO CB . 36084 1 114 . 1 1 23 23 PRO CG C 13 27.467 0.2 . 1 . . . A 208 PRO CG . 36084 1 115 . 1 1 23 23 PRO CD C 13 50.500 0.2 . 1 . . . A 208 PRO CD . 36084 1 116 . 1 1 24 24 VAL H H 1 8.968 0.02 . 1 . . . A 209 VAL H . 36084 1 117 . 1 1 24 24 VAL HA H 1 4.134 0.02 . 1 . . . A 209 VAL HA . 36084 1 118 . 1 1 24 24 VAL HB H 1 1.000 0.02 . 1 . . . A 209 VAL HB . 36084 1 119 . 1 1 24 24 VAL HG11 H 1 0.311 0.02 . 2 . . . A 209 VAL HG11 . 36084 1 120 . 1 1 24 24 VAL HG12 H 1 0.311 0.02 . 2 . . . A 209 VAL HG12 . 36084 1 121 . 1 1 24 24 VAL HG13 H 1 0.311 0.02 . 2 . . . A 209 VAL HG13 . 36084 1 122 . 1 1 24 24 VAL HG21 H 1 0.707 0.02 . 2 . . . A 209 VAL HG21 . 36084 1 123 . 1 1 24 24 VAL HG22 H 1 0.707 0.02 . 2 . . . A 209 VAL HG22 . 36084 1 124 . 1 1 24 24 VAL HG23 H 1 0.707 0.02 . 2 . . . A 209 VAL HG23 . 36084 1 125 . 1 1 24 24 VAL CA C 13 60.146 0.2 . 1 . . . A 209 VAL CA . 36084 1 126 . 1 1 24 24 VAL CB C 13 34.212 0.2 . 1 . . . A 209 VAL CB . 36084 1 127 . 1 1 24 24 VAL CG1 C 13 20.400 0.2 . 1 . . . A 209 VAL CG1 . 36084 1 128 . 1 1 24 24 VAL CG2 C 13 22.500 0.2 . 1 . . . A 209 VAL CG2 . 36084 1 129 . 1 1 24 24 VAL N N 15 124.082 0.1 . 1 . . . A 209 VAL N . 36084 1 130 . 1 1 25 25 VAL H H 1 8.168 0.02 . 1 . . . A 210 VAL H . 36084 1 131 . 1 1 25 25 VAL HA H 1 3.899 0.02 . 1 . . . A 210 VAL HA . 36084 1 132 . 1 1 25 25 VAL HB H 1 1.937 0.02 . 1 . . . A 210 VAL HB . 36084 1 133 . 1 1 25 25 VAL HG11 H 1 1.000 0.02 . 2 . . . A 210 VAL HG11 . 36084 1 134 . 1 1 25 25 VAL HG12 H 1 1.000 0.02 . 2 . . . A 210 VAL HG12 . 36084 1 135 . 1 1 25 25 VAL HG13 H 1 1.000 0.02 . 2 . . . A 210 VAL HG13 . 36084 1 136 . 1 1 25 25 VAL HG21 H 1 0.937 0.02 . 2 . . . A 210 VAL HG21 . 36084 1 137 . 1 1 25 25 VAL HG22 H 1 0.937 0.02 . 2 . . . A 210 VAL HG22 . 36084 1 138 . 1 1 25 25 VAL HG23 H 1 0.937 0.02 . 2 . . . A 210 VAL HG23 . 36084 1 139 . 1 1 25 25 VAL CA C 13 63.710 0.2 . 1 . . . A 210 VAL CA . 36084 1 140 . 1 1 25 25 VAL CB C 13 32.090 0.2 . 1 . . . A 210 VAL CB . 36084 1 141 . 1 1 25 25 VAL CG1 C 13 21.462 0.2 . 1 . . . A 210 VAL CG1 . 36084 1 142 . 1 1 25 25 VAL CG2 C 13 21.947 0.2 . 1 . . . A 210 VAL CG2 . 36084 1 143 . 1 1 25 25 VAL N N 15 123.695 0.1 . 1 . . . A 210 VAL N . 36084 1 144 . 1 1 26 26 ASN H H 1 8.645 0.02 . 1 . . . A 211 ASN H . 36084 1 145 . 1 1 26 26 ASN HA H 1 5.073 0.02 . 1 . . . A 211 ASN HA . 36084 1 146 . 1 1 26 26 ASN HB2 H 1 3.018 0.02 . 2 . . . A 211 ASN HB2 . 36084 1 147 . 1 1 26 26 ASN HB3 H 1 2.640 0.02 . 2 . . . A 211 ASN HB3 . 36084 1 148 . 1 1 26 26 ASN HD21 H 1 7.800 0.02 . 2 . . . A 211 ASN HD21 . 36084 1 149 . 1 1 26 26 ASN HD22 H 1 6.342 0.02 . 2 . . . A 211 ASN HD22 . 36084 1 150 . 1 1 26 26 ASN CA C 13 51.354 0.2 . 1 . . . A 211 ASN CA . 36084 1 151 . 1 1 26 26 ASN CB C 13 39.500 0.2 . 1 . . . A 211 ASN CB . 36084 1 152 . 1 1 26 26 ASN N N 15 124.817 0.1 . 1 . . . A 211 ASN N . 36084 1 153 . 1 1 26 26 ASN ND2 N 15 110.200 0.1 . 1 . . . A 211 ASN ND2 . 36084 1 154 . 1 1 27 27 ARG H H 1 7.613 0.02 . 1 . . . A 212 ARG H . 36084 1 155 . 1 1 27 27 ARG HA H 1 4.888 0.02 . 1 . . . A 212 ARG HA . 36084 1 156 . 1 1 27 27 ARG HB2 H 1 2.165 0.02 . 2 . . . A 212 ARG HB2 . 36084 1 157 . 1 1 27 27 ARG HB3 H 1 1.619 0.02 . 2 . . . A 212 ARG HB3 . 36084 1 158 . 1 1 27 27 ARG HG2 H 1 1.490 0.02 . 2 . . . A 212 ARG HG2 . 36084 1 159 . 1 1 27 27 ARG HG3 H 1 1.450 0.02 . 2 . . . A 212 ARG HG3 . 36084 1 160 . 1 1 27 27 ARG HD2 H 1 3.120 0.02 . 2 . . . A 212 ARG HD2 . 36084 1 161 . 1 1 27 27 ARG HD3 H 1 3.120 0.02 . 2 . . . A 212 ARG HD3 . 36084 1 162 . 1 1 27 27 ARG CA C 13 53.882 0.2 . 1 . . . A 212 ARG CA . 36084 1 163 . 1 1 27 27 ARG CB C 13 28.728 0.2 . 1 . . . A 212 ARG CB . 36084 1 164 . 1 1 27 27 ARG CG C 13 25.700 0.2 . 1 . . . A 212 ARG CG . 36084 1 165 . 1 1 27 27 ARG CD C 13 43.000 0.2 . 1 . . . A 212 ARG CD . 36084 1 166 . 1 1 27 27 ARG N N 15 116.110 0.1 . 1 . . . A 212 ARG N . 36084 1 167 . 1 1 28 28 PRO HA H 1 4.430 0.02 . 1 . . . A 213 PRO HA . 36084 1 168 . 1 1 28 28 PRO HB2 H 1 2.356 0.02 . 2 . . . A 213 PRO HB2 . 36084 1 169 . 1 1 28 28 PRO HB3 H 1 1.780 0.02 . 2 . . . A 213 PRO HB3 . 36084 1 170 . 1 1 28 28 PRO HG2 H 1 2.040 0.02 . 2 . . . A 213 PRO HG2 . 36084 1 171 . 1 1 28 28 PRO HD2 H 1 4.430 0.02 . 2 . . . A 213 PRO HD2 . 36084 1 172 . 1 1 28 28 PRO HD3 H 1 4.430 0.02 . 2 . . . A 213 PRO HD3 . 36084 1 173 . 1 1 28 28 PRO CA C 13 62.620 0.2 . 1 . . . A 213 PRO CA . 36084 1 174 . 1 1 28 28 PRO CB C 13 32.079 0.2 . 1 . . . A 213 PRO CB . 36084 1 175 . 1 1 28 28 PRO CG C 13 27.560 0.2 . 1 . . . A 213 PRO CG . 36084 1 176 . 1 1 28 28 PRO CD C 13 50.638 0.2 . 1 . . . A 213 PRO CD . 36084 1 177 . 1 1 29 29 LEU H H 1 8.018 0.02 . 1 . . . A 214 LEU H . 36084 1 178 . 1 1 29 29 LEU HA H 1 4.450 0.02 . 1 . . . A 214 LEU HA . 36084 1 179 . 1 1 29 29 LEU HB2 H 1 1.565 0.02 . 2 . . . A 214 LEU HB2 . 36084 1 180 . 1 1 29 29 LEU HB3 H 1 1.148 0.02 . 2 . . . A 214 LEU HB3 . 36084 1 181 . 1 1 29 29 LEU HG H 1 1.475 0.02 . 1 . . . A 214 LEU HG . 36084 1 182 . 1 1 29 29 LEU HD11 H 1 0.717 0.02 . 2 . . . A 214 LEU HD11 . 36084 1 183 . 1 1 29 29 LEU HD12 H 1 0.717 0.02 . 2 . . . A 214 LEU HD12 . 36084 1 184 . 1 1 29 29 LEU HD13 H 1 0.717 0.02 . 2 . . . A 214 LEU HD13 . 36084 1 185 . 1 1 29 29 LEU HD21 H 1 0.781 0.02 . 2 . . . A 214 LEU HD21 . 36084 1 186 . 1 1 29 29 LEU HD22 H 1 0.781 0.02 . 2 . . . A 214 LEU HD22 . 36084 1 187 . 1 1 29 29 LEU HD23 H 1 0.781 0.02 . 2 . . . A 214 LEU HD23 . 36084 1 188 . 1 1 29 29 LEU CA C 13 55.050 0.2 . 1 . . . A 214 LEU CA . 36084 1 189 . 1 1 29 29 LEU CB C 13 42.990 0.2 . 1 . . . A 214 LEU CB . 36084 1 190 . 1 1 29 29 LEU CG C 13 27.250 0.2 . 1 . . . A 214 LEU CG . 36084 1 191 . 1 1 29 29 LEU CD1 C 13 26.490 0.2 . 1 . . . A 214 LEU CD1 . 36084 1 192 . 1 1 29 29 LEU CD2 C 13 24.100 0.2 . 1 . . . A 214 LEU CD2 . 36084 1 193 . 1 1 29 29 LEU N N 15 121.243 0.1 . 1 . . . A 214 LEU N . 36084 1 194 . 1 1 30 30 SER H H 1 9.887 0.02 . 1 . . . A 215 SER H . 36084 1 195 . 1 1 30 30 SER HA H 1 4.724 0.02 . 1 . . . A 215 SER HA . 36084 1 196 . 1 1 30 30 SER HB2 H 1 4.334 0.02 . 2 . . . A 215 SER HB2 . 36084 1 197 . 1 1 30 30 SER HB3 H 1 3.879 0.02 . 2 . . . A 215 SER HB3 . 36084 1 198 . 1 1 30 30 SER CA C 13 55.900 0.2 . 1 . . . A 215 SER CA . 36084 1 199 . 1 1 30 30 SER CB C 13 67.380 0.2 . 1 . . . A 215 SER CB . 36084 1 200 . 1 1 30 30 SER N N 15 121.547 0.1 . 1 . . . A 215 SER N . 36084 1 201 . 1 1 31 31 LEU H H 1 8.787 0.02 . 1 . . . A 216 LEU H . 36084 1 202 . 1 1 31 31 LEU HA H 1 4.170 0.02 . 1 . . . A 216 LEU HA . 36084 1 203 . 1 1 31 31 LEU HB2 H 1 1.750 0.02 . 2 . . . A 216 LEU HB2 . 36084 1 204 . 1 1 31 31 LEU HB3 H 1 1.650 0.02 . 2 . . . A 216 LEU HB3 . 36084 1 205 . 1 1 31 31 LEU HG H 1 1.551 0.02 . 1 . . . A 216 LEU HG . 36084 1 206 . 1 1 31 31 LEU HD11 H 1 0.936 0.02 . 2 . . . A 216 LEU HD11 . 36084 1 207 . 1 1 31 31 LEU HD12 H 1 0.936 0.02 . 2 . . . A 216 LEU HD12 . 36084 1 208 . 1 1 31 31 LEU HD13 H 1 0.936 0.02 . 2 . . . A 216 LEU HD13 . 36084 1 209 . 1 1 31 31 LEU HD21 H 1 1.101 0.02 . 2 . . . A 216 LEU HD21 . 36084 1 210 . 1 1 31 31 LEU HD22 H 1 1.101 0.02 . 2 . . . A 216 LEU HD22 . 36084 1 211 . 1 1 31 31 LEU HD23 H 1 1.101 0.02 . 2 . . . A 216 LEU HD23 . 36084 1 212 . 1 1 31 31 LEU CA C 13 58.288 0.2 . 1 . . . A 216 LEU CA . 36084 1 213 . 1 1 31 31 LEU CB C 13 41.220 0.2 . 1 . . . A 216 LEU CB . 36084 1 214 . 1 1 31 31 LEU CG C 13 27.077 0.2 . 1 . . . A 216 LEU CG . 36084 1 215 . 1 1 31 31 LEU CD1 C 13 24.960 0.2 . 1 . . . A 216 LEU CD1 . 36084 1 216 . 1 1 31 31 LEU CD2 C 13 23.277 0.2 . 1 . . . A 216 LEU CD2 . 36084 1 217 . 1 1 31 31 LEU N N 15 123.177 0.1 . 1 . . . A 216 LEU N . 36084 1 218 . 1 1 32 32 LYS H H 1 8.138 0.02 . 1 . . . A 217 LYS H . 36084 1 219 . 1 1 32 32 LYS HA H 1 4.149 0.02 . 1 . . . A 217 LYS HA . 36084 1 220 . 1 1 32 32 LYS HB2 H 1 1.821 0.02 . 2 . . . A 217 LYS HB2 . 36084 1 221 . 1 1 32 32 LYS HB3 H 1 1.750 0.02 . 2 . . . A 217 LYS HB3 . 36084 1 222 . 1 1 32 32 LYS HG2 H 1 1.680 0.02 . 2 . . . A 217 LYS HG2 . 36084 1 223 . 1 1 32 32 LYS HG3 H 1 1.680 0.02 . 2 . . . A 217 LYS HG3 . 36084 1 224 . 1 1 32 32 LYS HD2 H 1 1.470 0.02 . 2 . . . A 217 LYS HD2 . 36084 1 225 . 1 1 32 32 LYS HD3 H 1 1.430 0.02 . 2 . . . A 217 LYS HD3 . 36084 1 226 . 1 1 32 32 LYS HE2 H 1 2.980 0.02 . 2 . . . A 217 LYS HE2 . 36084 1 227 . 1 1 32 32 LYS HE3 H 1 2.980 0.02 . 2 . . . A 217 LYS HE3 . 36084 1 228 . 1 1 32 32 LYS CA C 13 59.450 0.2 . 1 . . . A 217 LYS CA . 36084 1 229 . 1 1 32 32 LYS CB C 13 32.017 0.2 . 1 . . . A 217 LYS CB . 36084 1 230 . 1 1 32 32 LYS CG C 13 29.116 0.2 . 1 . . . A 217 LYS CG . 36084 1 231 . 1 1 32 32 LYS CD C 13 24.842 0.2 . 1 . . . A 217 LYS CD . 36084 1 232 . 1 1 32 32 LYS CE C 13 41.969 0.2 . 1 . . . A 217 LYS CE . 36084 1 233 . 1 1 32 32 LYS N N 15 119.333 0.1 . 1 . . . A 217 LYS N . 36084 1 234 . 1 1 33 33 ASP H H 1 8.000 0.02 . 1 . . . A 218 ASP H . 36084 1 235 . 1 1 33 33 ASP HA H 1 4.139 0.02 . 1 . . . A 218 ASP HA . 36084 1 236 . 1 1 33 33 ASP HB2 H 1 3.016 0.02 . 2 . . . A 218 ASP HB2 . 36084 1 237 . 1 1 33 33 ASP HB3 H 1 2.279 0.02 . 2 . . . A 218 ASP HB3 . 36084 1 238 . 1 1 33 33 ASP CA C 13 57.800 0.2 . 1 . . . A 218 ASP CA . 36084 1 239 . 1 1 33 33 ASP CB C 13 41.693 0.2 . 1 . . . A 218 ASP CB . 36084 1 240 . 1 1 33 33 ASP N N 15 120.920 0.1 . 1 . . . A 218 ASP N . 36084 1 241 . 1 1 34 34 GLN H H 1 7.746 0.02 . 1 . . . A 219 GLN H . 36084 1 242 . 1 1 34 34 GLN HA H 1 3.828 0.02 . 1 . . . A 219 GLN HA . 36084 1 243 . 1 1 34 34 GLN HB2 H 1 2.370 0.02 . 2 . . . A 219 GLN HB2 . 36084 1 244 . 1 1 34 34 GLN HB3 H 1 2.027 0.02 . 2 . . . A 219 GLN HB3 . 36084 1 245 . 1 1 34 34 GLN HG2 H 1 2.346 0.02 . 2 . . . A 219 GLN HG2 . 36084 1 246 . 1 1 34 34 GLN HG3 H 1 1.784 0.02 . 2 . . . A 219 GLN HG3 . 36084 1 247 . 1 1 34 34 GLN HE21 H 1 6.421 0.02 . 2 . . . A 219 GLN HE21 . 36084 1 248 . 1 1 34 34 GLN HE22 H 1 5.257 0.02 . 2 . . . A 219 GLN HE22 . 36084 1 249 . 1 1 34 34 GLN CA C 13 59.196 0.2 . 1 . . . A 219 GLN CA . 36084 1 250 . 1 1 34 34 GLN CB C 13 29.159 0.2 . 1 . . . A 219 GLN CB . 36084 1 251 . 1 1 34 34 GLN CG C 13 34.064 0.2 . 1 . . . A 219 GLN CG . 36084 1 252 . 1 1 34 34 GLN N N 15 117.108 0.1 . 1 . . . A 219 GLN N . 36084 1 253 . 1 1 34 34 GLN NE2 N 15 105.490 0.1 . 1 . . . A 219 GLN NE2 . 36084 1 254 . 1 1 35 35 GLN H H 1 8.581 0.02 . 1 . . . A 220 GLN H . 36084 1 255 . 1 1 35 35 GLN HA H 1 4.200 0.02 . 1 . . . A 220 GLN HA . 36084 1 256 . 1 1 35 35 GLN HB2 H 1 2.352 0.02 . 2 . . . A 220 GLN HB2 . 36084 1 257 . 1 1 35 35 GLN HB3 H 1 2.095 0.02 . 2 . . . A 220 GLN HB3 . 36084 1 258 . 1 1 35 35 GLN HG2 H 1 2.741 0.02 . 2 . . . A 220 GLN HG2 . 36084 1 259 . 1 1 35 35 GLN HG3 H 1 2.341 0.02 . 2 . . . A 220 GLN HG3 . 36084 1 260 . 1 1 35 35 GLN HE21 H 1 7.113 0.02 . 2 . . . A 220 GLN HE21 . 36084 1 261 . 1 1 35 35 GLN HE22 H 1 6.777 0.02 . 2 . . . A 220 GLN HE22 . 36084 1 262 . 1 1 35 35 GLN CA C 13 59.247 0.2 . 1 . . . A 220 GLN CA . 36084 1 263 . 1 1 35 35 GLN CB C 13 28.800 0.2 . 1 . . . A 220 GLN CB . 36084 1 264 . 1 1 35 35 GLN CG C 13 34.100 0.2 . 1 . . . A 220 GLN CG . 36084 1 265 . 1 1 35 35 GLN N N 15 117.858 0.1 . 1 . . . A 220 GLN N . 36084 1 266 . 1 1 35 35 GLN NE2 N 15 110.326 0.1 . 1 . . . A 220 GLN NE2 . 36084 1 267 . 1 1 36 36 THR H H 1 8.561 0.02 . 1 . . . A 221 THR H . 36084 1 268 . 1 1 36 36 THR HA H 1 3.841 0.02 . 1 . . . A 221 THR HA . 36084 1 269 . 1 1 36 36 THR HB H 1 4.210 0.02 . 1 . . . A 221 THR HB . 36084 1 270 . 1 1 36 36 THR HG21 H 1 1.118 0.02 . 1 . . . A 221 THR HG21 . 36084 1 271 . 1 1 36 36 THR HG22 H 1 1.118 0.02 . 1 . . . A 221 THR HG22 . 36084 1 272 . 1 1 36 36 THR HG23 H 1 1.118 0.02 . 1 . . . A 221 THR HG23 . 36084 1 273 . 1 1 36 36 THR CA C 13 67.012 0.2 . 1 . . . A 221 THR CA . 36084 1 274 . 1 1 36 36 THR CB C 13 68.335 0.2 . 1 . . . A 221 THR CB . 36084 1 275 . 1 1 36 36 THR CG2 C 13 21.400 0.2 . 1 . . . A 221 THR CG2 . 36084 1 276 . 1 1 36 36 THR N N 15 117.289 0.1 . 1 . . . A 221 THR N . 36084 1 277 . 1 1 37 37 PHE H H 1 8.376 0.02 . 1 . . . A 222 PHE H . 36084 1 278 . 1 1 37 37 PHE HA H 1 4.116 0.02 . 1 . . . A 222 PHE HA . 36084 1 279 . 1 1 37 37 PHE HB2 H 1 3.275 0.02 . 2 . . . A 222 PHE HB2 . 36084 1 280 . 1 1 37 37 PHE HB3 H 1 2.957 0.02 . 2 . . . A 222 PHE HB3 . 36084 1 281 . 1 1 37 37 PHE HD1 H 1 6.984 0.02 . 3 . . . A 222 PHE HD1 . 36084 1 282 . 1 1 37 37 PHE HE1 H 1 7.360 0.02 . 3 . . . A 222 PHE HE1 . 36084 1 283 . 1 1 37 37 PHE HZ H 1 6.988 0.02 . 1 . . . A 222 PHE HZ . 36084 1 284 . 1 1 37 37 PHE CA C 13 61.235 0.2 . 1 . . . A 222 PHE CA . 36084 1 285 . 1 1 37 37 PHE CB C 13 39.752 0.2 . 1 . . . A 222 PHE CB . 36084 1 286 . 1 1 37 37 PHE CD1 C 13 132.674 0.2 . 3 . . . A 222 PHE CD1 . 36084 1 287 . 1 1 37 37 PHE CE1 C 13 131.486 0.2 . 3 . . . A 222 PHE CE1 . 36084 1 288 . 1 1 37 37 PHE CZ C 13 128.167 0.2 . 1 . . . A 222 PHE CZ . 36084 1 289 . 1 1 37 37 PHE N N 15 120.376 0.1 . 1 . . . A 222 PHE N . 36084 1 290 . 1 1 38 38 ALA H H 1 8.253 0.02 . 1 . . . A 223 ALA H . 36084 1 291 . 1 1 38 38 ALA HA H 1 3.612 0.02 . 1 . . . A 223 ALA HA . 36084 1 292 . 1 1 38 38 ALA HB1 H 1 1.101 0.02 . 1 . . . A 223 ALA HB1 . 36084 1 293 . 1 1 38 38 ALA HB2 H 1 1.101 0.02 . 1 . . . A 223 ALA HB2 . 36084 1 294 . 1 1 38 38 ALA HB3 H 1 1.101 0.02 . 1 . . . A 223 ALA HB3 . 36084 1 295 . 1 1 38 38 ALA CA C 13 54.645 0.2 . 1 . . . A 223 ALA CA . 36084 1 296 . 1 1 38 38 ALA CB C 13 18.357 0.2 . 1 . . . A 223 ALA CB . 36084 1 297 . 1 1 38 38 ALA N N 15 120.618 0.1 . 1 . . . A 223 ALA N . 36084 1 298 . 1 1 39 39 ARG H H 1 8.108 0.02 . 1 . . . A 224 ARG H . 36084 1 299 . 1 1 39 39 ARG HA H 1 4.359 0.02 . 1 . . . A 224 ARG HA . 36084 1 300 . 1 1 39 39 ARG HB2 H 1 2.086 0.02 . 2 . . . A 224 ARG HB2 . 36084 1 301 . 1 1 39 39 ARG HB3 H 1 1.970 0.02 . 2 . . . A 224 ARG HB3 . 36084 1 302 . 1 1 39 39 ARG HG2 H 1 1.940 0.02 . 2 . . . A 224 ARG HG2 . 36084 1 303 . 1 1 39 39 ARG HG3 H 1 1.790 0.02 . 2 . . . A 224 ARG HG3 . 36084 1 304 . 1 1 39 39 ARG HD2 H 1 3.198 0.02 . 2 . . . A 224 ARG HD2 . 36084 1 305 . 1 1 39 39 ARG HD3 H 1 3.198 0.02 . 2 . . . A 224 ARG HD3 . 36084 1 306 . 1 1 39 39 ARG CA C 13 58.453 0.2 . 1 . . . A 224 ARG CA . 36084 1 307 . 1 1 39 39 ARG CB C 13 30.900 0.2 . 1 . . . A 224 ARG CB . 36084 1 308 . 1 1 39 39 ARG CG C 13 27.802 0.2 . 1 . . . A 224 ARG CG . 36084 1 309 . 1 1 39 39 ARG CD C 13 43.352 0.2 . 1 . . . A 224 ARG CD . 36084 1 310 . 1 1 39 39 ARG N N 15 114.394 0.1 . 1 . . . A 224 ARG N . 36084 1 311 . 1 1 40 40 SER H H 1 7.112 0.02 . 1 . . . A 225 SER H . 36084 1 312 . 1 1 40 40 SER HA H 1 4.691 0.02 . 1 . . . A 225 SER HA . 36084 1 313 . 1 1 40 40 SER HB2 H 1 3.698 0.02 . 2 . . . A 225 SER HB2 . 36084 1 314 . 1 1 40 40 SER HB3 H 1 3.830 0.02 . 2 . . . A 225 SER HB3 . 36084 1 315 . 1 1 40 40 SER CA C 13 59.809 0.2 . 1 . . . A 225 SER CA . 36084 1 316 . 1 1 40 40 SER CB C 13 65.846 0.2 . 1 . . . A 225 SER CB . 36084 1 317 . 1 1 40 40 SER N N 15 110.203 0.1 . 1 . . . A 225 SER N . 36084 1 318 . 1 1 41 41 VAL H H 1 7.910 0.02 . 1 . . . A 226 VAL H . 36084 1 319 . 1 1 41 41 VAL HA H 1 3.641 0.02 . 1 . . . A 226 VAL HA . 36084 1 320 . 1 1 41 41 VAL HB H 1 1.181 0.02 . 1 . . . A 226 VAL HB . 36084 1 321 . 1 1 41 41 VAL HG11 H 1 0.575 0.02 . 2 . . . A 226 VAL HG11 . 36084 1 322 . 1 1 41 41 VAL HG12 H 1 0.575 0.02 . 2 . . . A 226 VAL HG12 . 36084 1 323 . 1 1 41 41 VAL HG13 H 1 0.575 0.02 . 2 . . . A 226 VAL HG13 . 36084 1 324 . 1 1 41 41 VAL HG21 H 1 0.398 0.02 . 2 . . . A 226 VAL HG21 . 36084 1 325 . 1 1 41 41 VAL HG22 H 1 0.398 0.02 . 2 . . . A 226 VAL HG22 . 36084 1 326 . 1 1 41 41 VAL HG23 H 1 0.398 0.02 . 2 . . . A 226 VAL HG23 . 36084 1 327 . 1 1 41 41 VAL CA C 13 64.351 0.2 . 1 . . . A 226 VAL CA . 36084 1 328 . 1 1 41 41 VAL CB C 13 30.980 0.2 . 1 . . . A 226 VAL CB . 36084 1 329 . 1 1 41 41 VAL CG1 C 13 21.713 0.2 . 1 . . . A 226 VAL CG1 . 36084 1 330 . 1 1 41 41 VAL CG2 C 13 21.106 0.2 . 1 . . . A 226 VAL CG2 . 36084 1 331 . 1 1 41 41 VAL N N 15 120.870 0.1 . 1 . . . A 226 VAL N . 36084 1 332 . 1 1 42 42 GLY H H 1 7.965 0.02 . 1 . . . A 227 GLY H . 36084 1 333 . 1 1 42 42 GLY HA2 H 1 3.967 0.02 . 2 . . . A 227 GLY HA2 . 36084 1 334 . 1 1 42 42 GLY HA3 H 1 3.643 0.02 . 2 . . . A 227 GLY HA3 . 36084 1 335 . 1 1 42 42 GLY CA C 13 46.759 0.2 . 1 . . . A 227 GLY CA . 36084 1 336 . 1 1 42 42 GLY N N 15 111.337 0.1 . 1 . . . A 227 GLY N . 36084 1 337 . 1 1 43 43 LEU H H 1 9.093 0.02 . 1 . . . A 228 LEU H . 36084 1 338 . 1 1 43 43 LEU HA H 1 4.186 0.02 . 1 . . . A 228 LEU HA . 36084 1 339 . 1 1 43 43 LEU HB2 H 1 1.800 0.02 . 2 . . . A 228 LEU HB2 . 36084 1 340 . 1 1 43 43 LEU HB3 H 1 1.730 0.02 . 2 . . . A 228 LEU HB3 . 36084 1 341 . 1 1 43 43 LEU HG H 1 1.823 0.02 . 1 . . . A 228 LEU HG . 36084 1 342 . 1 1 43 43 LEU HD11 H 1 0.988 0.02 . 2 . . . A 228 LEU HD11 . 36084 1 343 . 1 1 43 43 LEU HD12 H 1 0.988 0.02 . 2 . . . A 228 LEU HD12 . 36084 1 344 . 1 1 43 43 LEU HD13 H 1 0.988 0.02 . 2 . . . A 228 LEU HD13 . 36084 1 345 . 1 1 43 43 LEU HD21 H 1 1.047 0.02 . 2 . . . A 228 LEU HD21 . 36084 1 346 . 1 1 43 43 LEU HD22 H 1 1.047 0.02 . 2 . . . A 228 LEU HD22 . 36084 1 347 . 1 1 43 43 LEU HD23 H 1 1.047 0.02 . 2 . . . A 228 LEU HD23 . 36084 1 348 . 1 1 43 43 LEU CA C 13 57.012 0.2 . 1 . . . A 228 LEU CA . 36084 1 349 . 1 1 43 43 LEU CB C 13 42.310 0.2 . 1 . . . A 228 LEU CB . 36084 1 350 . 1 1 43 43 LEU CG C 13 27.060 0.2 . 1 . . . A 228 LEU CG . 36084 1 351 . 1 1 43 43 LEU CD1 C 13 25.263 0.2 . 1 . . . A 228 LEU CD1 . 36084 1 352 . 1 1 43 43 LEU CD2 C 13 24.038 0.2 . 1 . . . A 228 LEU CD2 . 36084 1 353 . 1 1 43 43 LEU N N 15 124.973 0.1 . 1 . . . A 228 LEU N . 36084 1 354 . 1 1 44 44 LYS H H 1 7.634 0.02 . 1 . . . A 229 LYS H . 36084 1 355 . 1 1 44 44 LYS HA H 1 4.230 0.02 . 1 . . . A 229 LYS HA . 36084 1 356 . 1 1 44 44 LYS HB2 H 1 1.973 0.02 . 2 . . . A 229 LYS HB2 . 36084 1 357 . 1 1 44 44 LYS HB3 H 1 1.973 0.02 . 2 . . . A 229 LYS HB3 . 36084 1 358 . 1 1 44 44 LYS HG2 H 1 1.703 0.02 . 2 . . . A 229 LYS HG2 . 36084 1 359 . 1 1 44 44 LYS HG3 H 1 1.423 0.02 . 2 . . . A 229 LYS HG3 . 36084 1 360 . 1 1 44 44 LYS HD2 H 1 1.746 0.02 . 2 . . . A 229 LYS HD2 . 36084 1 361 . 1 1 44 44 LYS HD3 H 1 1.746 0.02 . 2 . . . A 229 LYS HD3 . 36084 1 362 . 1 1 44 44 LYS HE2 H 1 3.060 0.02 . 2 . . . A 229 LYS HE2 . 36084 1 363 . 1 1 44 44 LYS HE3 H 1 3.060 0.02 . 2 . . . A 229 LYS HE3 . 36084 1 364 . 1 1 44 44 LYS CA C 13 57.550 0.2 . 1 . . . A 229 LYS CA . 36084 1 365 . 1 1 44 44 LYS CB C 13 32.473 0.2 . 1 . . . A 229 LYS CB . 36084 1 366 . 1 1 44 44 LYS CG C 13 26.734 0.2 . 1 . . . A 229 LYS CG . 36084 1 367 . 1 1 44 44 LYS CD C 13 29.999 0.2 . 1 . . . A 229 LYS CD . 36084 1 368 . 1 1 44 44 LYS CE C 13 42.362 0.2 . 1 . . . A 229 LYS CE . 36084 1 369 . 1 1 44 44 LYS N N 15 116.110 0.1 . 1 . . . A 229 LYS N . 36084 1 370 . 1 1 45 45 TRP H H 1 8.012 0.02 . 1 . . . A 230 TRP H . 36084 1 371 . 1 1 45 45 TRP HA H 1 3.910 0.02 . 1 . . . A 230 TRP HA . 36084 1 372 . 1 1 45 45 TRP HB2 H 1 3.310 0.02 . 2 . . . A 230 TRP HB2 . 36084 1 373 . 1 1 45 45 TRP HB3 H 1 3.260 0.02 . 2 . . . A 230 TRP HB3 . 36084 1 374 . 1 1 45 45 TRP HD1 H 1 7.632 0.02 . 1 . . . A 230 TRP HD1 . 36084 1 375 . 1 1 45 45 TRP HE1 H 1 9.933 0.02 . 3 . . . A 230 TRP HE1 . 36084 1 376 . 1 1 45 45 TRP HE3 H 1 7.304 0.02 . 3 . . . A 230 TRP HE3 . 36084 1 377 . 1 1 45 45 TRP HZ2 H 1 7.288 0.02 . 3 . . . A 230 TRP HZ2 . 36084 1 378 . 1 1 45 45 TRP HZ3 H 1 6.865 0.02 . 3 . . . A 230 TRP HZ3 . 36084 1 379 . 1 1 45 45 TRP HH2 H 1 7.264 0.02 . 1 . . . A 230 TRP HH2 . 36084 1 380 . 1 1 45 45 TRP CA C 13 61.100 0.2 . 1 . . . A 230 TRP CA . 36084 1 381 . 1 1 45 45 TRP CB C 13 27.146 0.2 . 1 . . . A 230 TRP CB . 36084 1 382 . 1 1 45 45 TRP CD1 C 13 127.537 0.2 . 3 . . . A 230 TRP CD1 . 36084 1 383 . 1 1 45 45 TRP CE3 C 13 119.875 0.2 . 3 . . . A 230 TRP CE3 . 36084 1 384 . 1 1 45 45 TRP CZ2 C 13 114.411 0.2 . 3 . . . A 230 TRP CZ2 . 36084 1 385 . 1 1 45 45 TRP CZ3 C 13 121.048 0.2 . 3 . . . A 230 TRP CZ3 . 36084 1 386 . 1 1 45 45 TRP CH2 C 13 123.854 0.2 . 1 . . . A 230 TRP CH2 . 36084 1 387 . 1 1 45 45 TRP N N 15 120.925 0.1 . 1 . . . A 230 TRP N . 36084 1 388 . 1 1 45 45 TRP NE1 N 15 129.756 0.1 . 1 . . . A 230 TRP NE1 . 36084 1 389 . 1 1 46 46 ARG H H 1 5.957 0.02 . 1 . . . A 231 ARG H . 36084 1 390 . 1 1 46 46 ARG HA H 1 3.010 0.02 . 1 . . . A 231 ARG HA . 36084 1 391 . 1 1 46 46 ARG HB2 H 1 1.195 0.02 . 2 . . . A 231 ARG HB2 . 36084 1 392 . 1 1 46 46 ARG HB3 H 1 0.622 0.02 . 2 . . . A 231 ARG HB3 . 36084 1 393 . 1 1 46 46 ARG HG2 H 1 0.400 0.02 . 2 . . . A 231 ARG HG2 . 36084 1 394 . 1 1 46 46 ARG HG3 H 1 0.440 0.02 . 2 . . . A 231 ARG HG3 . 36084 1 395 . 1 1 46 46 ARG HD2 H 1 2.670 0.02 . 2 . . . A 231 ARG HD2 . 36084 1 396 . 1 1 46 46 ARG HD3 H 1 2.660 0.02 . 2 . . . A 231 ARG HD3 . 36084 1 397 . 1 1 46 46 ARG HE H 1 6.903 0.02 . 1 . . . A 231 ARG HE . 36084 1 398 . 1 1 46 46 ARG CA C 13 59.600 0.2 . 1 . . . A 231 ARG CA . 36084 1 399 . 1 1 46 46 ARG CB C 13 29.400 0.2 . 1 . . . A 231 ARG CB . 36084 1 400 . 1 1 46 46 ARG CG C 13 27.100 0.2 . 1 . . . A 231 ARG CG . 36084 1 401 . 1 1 46 46 ARG CD C 13 42.900 0.2 . 1 . . . A 231 ARG CD . 36084 1 402 . 1 1 46 46 ARG N N 15 121.265 0.1 . 1 . . . A 231 ARG N . 36084 1 403 . 1 1 46 46 ARG NE N 15 85.765 0.1 . 1 . . . A 231 ARG NE . 36084 1 404 . 1 1 47 47 LYS H H 1 7.185 0.02 . 1 . . . A 232 LYS H . 36084 1 405 . 1 1 47 47 LYS HA H 1 3.846 0.02 . 1 . . . A 232 LYS HA . 36084 1 406 . 1 1 47 47 LYS HB2 H 1 1.953 0.02 . 2 . . . A 232 LYS HB2 . 36084 1 407 . 1 1 47 47 LYS HB3 H 1 1.666 0.02 . 2 . . . A 232 LYS HB3 . 36084 1 408 . 1 1 47 47 LYS HG2 H 1 1.476 0.02 . 2 . . . A 232 LYS HG2 . 36084 1 409 . 1 1 47 47 LYS HG3 H 1 1.370 0.02 . 2 . . . A 232 LYS HG3 . 36084 1 410 . 1 1 47 47 LYS HD2 H 1 1.595 0.02 . 2 . . . A 232 LYS HD2 . 36084 1 411 . 1 1 47 47 LYS HD3 H 1 1.595 0.02 . 2 . . . A 232 LYS HD3 . 36084 1 412 . 1 1 47 47 LYS HE2 H 1 2.973 0.02 . 2 . . . A 232 LYS HE2 . 36084 1 413 . 1 1 47 47 LYS HE3 H 1 2.973 0.02 . 2 . . . A 232 LYS HE3 . 36084 1 414 . 1 1 47 47 LYS CA C 13 59.196 0.2 . 1 . . . A 232 LYS CA . 36084 1 415 . 1 1 47 47 LYS CB C 13 31.500 0.2 . 1 . . . A 232 LYS CB . 36084 1 416 . 1 1 47 47 LYS CG C 13 25.400 0.2 . 1 . . . A 232 LYS CG . 36084 1 417 . 1 1 47 47 LYS CD C 13 29.000 0.2 . 1 . . . A 232 LYS CD . 36084 1 418 . 1 1 47 47 LYS CE C 13 42.008 0.2 . 1 . . . A 232 LYS CE . 36084 1 419 . 1 1 47 47 LYS N N 15 119.478 0.1 . 1 . . . A 232 LYS N . 36084 1 420 . 1 1 48 48 VAL H H 1 7.620 0.02 . 1 . . . A 233 VAL H . 36084 1 421 . 1 1 48 48 VAL HA H 1 3.496 0.02 . 1 . . . A 233 VAL HA . 36084 1 422 . 1 1 48 48 VAL HB H 1 2.201 0.02 . 1 . . . A 233 VAL HB . 36084 1 423 . 1 1 48 48 VAL HG11 H 1 0.778 0.02 . 2 . . . A 233 VAL HG11 . 36084 1 424 . 1 1 48 48 VAL HG12 H 1 0.778 0.02 . 2 . . . A 233 VAL HG12 . 36084 1 425 . 1 1 48 48 VAL HG13 H 1 0.778 0.02 . 2 . . . A 233 VAL HG13 . 36084 1 426 . 1 1 48 48 VAL HG21 H 1 0.960 0.02 . 2 . . . A 233 VAL HG21 . 36084 1 427 . 1 1 48 48 VAL HG22 H 1 0.960 0.02 . 2 . . . A 233 VAL HG22 . 36084 1 428 . 1 1 48 48 VAL HG23 H 1 0.960 0.02 . 2 . . . A 233 VAL HG23 . 36084 1 429 . 1 1 48 48 VAL CA C 13 66.880 0.2 . 1 . . . A 233 VAL CA . 36084 1 430 . 1 1 48 48 VAL CB C 13 31.344 0.2 . 1 . . . A 233 VAL CB . 36084 1 431 . 1 1 48 48 VAL CG1 C 13 20.800 0.2 . 1 . . . A 233 VAL CG1 . 36084 1 432 . 1 1 48 48 VAL CG2 C 13 23.900 0.2 . 1 . . . A 233 VAL CG2 . 36084 1 433 . 1 1 48 48 VAL N N 15 119.099 0.1 . 1 . . . A 233 VAL N . 36084 1 434 . 1 1 49 49 GLY H H 1 8.646 0.02 . 1 . . . A 234 GLY H . 36084 1 435 . 1 1 49 49 GLY HA2 H 1 3.582 0.02 . 2 . . . A 234 GLY HA2 . 36084 1 436 . 1 1 49 49 GLY HA3 H 1 3.541 0.02 . 2 . . . A 234 GLY HA3 . 36084 1 437 . 1 1 49 49 GLY CA C 13 48.814 0.2 . 1 . . . A 234 GLY CA . 36084 1 438 . 1 1 49 49 GLY N N 15 106.807 0.1 . 1 . . . A 234 GLY N . 36084 1 439 . 1 1 50 50 ARG H H 1 8.046 0.02 . 1 . . . A 235 ARG H . 36084 1 440 . 1 1 50 50 ARG HA H 1 3.957 0.02 . 1 . . . A 235 ARG HA . 36084 1 441 . 1 1 50 50 ARG HB2 H 1 1.860 0.02 . 2 . . . A 235 ARG HB2 . 36084 1 442 . 1 1 50 50 ARG HB3 H 1 1.900 0.02 . 2 . . . A 235 ARG HB3 . 36084 1 443 . 1 1 50 50 ARG HG2 H 1 1.727 0.02 . 2 . . . A 235 ARG HG2 . 36084 1 444 . 1 1 50 50 ARG HG3 H 1 1.560 0.02 . 2 . . . A 235 ARG HG3 . 36084 1 445 . 1 1 50 50 ARG HD2 H 1 3.156 0.02 . 2 . . . A 235 ARG HD2 . 36084 1 446 . 1 1 50 50 ARG HD3 H 1 3.156 0.02 . 2 . . . A 235 ARG HD3 . 36084 1 447 . 1 1 50 50 ARG CA C 13 59.112 0.2 . 1 . . . A 235 ARG CA . 36084 1 448 . 1 1 50 50 ARG CB C 13 29.300 0.2 . 1 . . . A 235 ARG CB . 36084 1 449 . 1 1 50 50 ARG CG C 13 27.400 0.2 . 1 . . . A 235 ARG CG . 36084 1 450 . 1 1 50 50 ARG CD C 13 43.114 0.2 . 1 . . . A 235 ARG CD . 36084 1 451 . 1 1 50 50 ARG N N 15 121.427 0.1 . 1 . . . A 235 ARG N . 36084 1 452 . 1 1 51 51 SER H H 1 7.701 0.02 . 1 . . . A 236 SER H . 36084 1 453 . 1 1 51 51 SER HA H 1 4.263 0.02 . 1 . . . A 236 SER HA . 36084 1 454 . 1 1 51 51 SER HB2 H 1 3.960 0.02 . 2 . . . A 236 SER HB2 . 36084 1 455 . 1 1 51 51 SER HB3 H 1 3.920 0.02 . 2 . . . A 236 SER HB3 . 36084 1 456 . 1 1 51 51 SER CA C 13 63.412 0.2 . 1 . . . A 236 SER CA . 36084 1 457 . 1 1 51 51 SER CB C 13 62.469 0.2 . 1 . . . A 236 SER CB . 36084 1 458 . 1 1 51 51 SER N N 15 117.047 0.1 . 1 . . . A 236 SER N . 36084 1 459 . 1 1 52 52 LEU H H 1 7.989 0.02 . 1 . . . A 237 LEU H . 36084 1 460 . 1 1 52 52 LEU HA H 1 3.960 0.02 . 1 . . . A 237 LEU HA . 36084 1 461 . 1 1 52 52 LEU HB2 H 1 0.821 0.02 . 2 . . . A 237 LEU HB2 . 36084 1 462 . 1 1 52 52 LEU HB3 H 1 1.610 0.02 . 2 . . . A 237 LEU HB3 . 36084 1 463 . 1 1 52 52 LEU HG H 1 1.378 0.02 . 1 . . . A 237 LEU HG . 36084 1 464 . 1 1 52 52 LEU HD11 H 1 0.049 0.02 . 2 . . . A 237 LEU HD11 . 36084 1 465 . 1 1 52 52 LEU HD12 H 1 0.049 0.02 . 2 . . . A 237 LEU HD12 . 36084 1 466 . 1 1 52 52 LEU HD13 H 1 0.049 0.02 . 2 . . . A 237 LEU HD13 . 36084 1 467 . 1 1 52 52 LEU HD21 H 1 -0.199 0.02 . 2 . . . A 237 LEU HD21 . 36084 1 468 . 1 1 52 52 LEU HD22 H 1 -0.199 0.02 . 2 . . . A 237 LEU HD22 . 36084 1 469 . 1 1 52 52 LEU HD23 H 1 -0.199 0.02 . 2 . . . A 237 LEU HD23 . 36084 1 470 . 1 1 52 52 LEU CA C 13 56.215 0.2 . 1 . . . A 237 LEU CA . 36084 1 471 . 1 1 52 52 LEU CB C 13 41.550 0.2 . 1 . . . A 237 LEU CB . 36084 1 472 . 1 1 52 52 LEU CG C 13 25.300 0.2 . 1 . . . A 237 LEU CG . 36084 1 473 . 1 1 52 52 LEU CD1 C 13 21.100 0.2 . 1 . . . A 237 LEU CD1 . 36084 1 474 . 1 1 52 52 LEU CD2 C 13 24.250 0.2 . 1 . . . A 237 LEU CD2 . 36084 1 475 . 1 1 52 52 LEU N N 15 120.236 0.1 . 1 . . . A 237 LEU N . 36084 1 476 . 1 1 53 53 GLN H H 1 7.991 0.02 . 1 . . . A 238 GLN H . 36084 1 477 . 1 1 53 53 GLN HA H 1 3.979 0.02 . 1 . . . A 238 GLN HA . 36084 1 478 . 1 1 53 53 GLN HB2 H 1 2.241 0.02 . 2 . . . A 238 GLN HB2 . 36084 1 479 . 1 1 53 53 GLN HB3 H 1 1.956 0.02 . 2 . . . A 238 GLN HB3 . 36084 1 480 . 1 1 53 53 GLN HG2 H 1 2.575 0.02 . 2 . . . A 238 GLN HG2 . 36084 1 481 . 1 1 53 53 GLN HG3 H 1 2.254 0.02 . 2 . . . A 238 GLN HG3 . 36084 1 482 . 1 1 53 53 GLN HE21 H 1 7.069 0.02 . 2 . . . A 238 GLN HE21 . 36084 1 483 . 1 1 53 53 GLN HE22 H 1 7.937 0.02 . 2 . . . A 238 GLN HE22 . 36084 1 484 . 1 1 53 53 GLN CA C 13 58.200 0.2 . 1 . . . A 238 GLN CA . 36084 1 485 . 1 1 53 53 GLN CB C 13 28.820 0.2 . 1 . . . A 238 GLN CB . 36084 1 486 . 1 1 53 53 GLN CG C 13 34.106 0.2 . 1 . . . A 238 GLN CG . 36084 1 487 . 1 1 53 53 GLN N N 15 117.666 0.1 . 1 . . . A 238 GLN N . 36084 1 488 . 1 1 53 53 GLN NE2 N 15 113.322 0.1 . 1 . . . A 238 GLN NE2 . 36084 1 489 . 1 1 54 54 ARG H H 1 7.218 0.02 . 1 . . . A 239 ARG H . 36084 1 490 . 1 1 54 54 ARG HA H 1 4.006 0.02 . 1 . . . A 239 ARG HA . 36084 1 491 . 1 1 54 54 ARG HB2 H 1 1.853 0.02 . 2 . . . A 239 ARG HB2 . 36084 1 492 . 1 1 54 54 ARG HB3 H 1 1.853 0.02 . 2 . . . A 239 ARG HB3 . 36084 1 493 . 1 1 54 54 ARG HG2 H 1 1.787 0.02 . 2 . . . A 239 ARG HG2 . 36084 1 494 . 1 1 54 54 ARG HG3 H 1 1.581 0.02 . 2 . . . A 239 ARG HG3 . 36084 1 495 . 1 1 54 54 ARG HD2 H 1 3.280 0.02 . 2 . . . A 239 ARG HD2 . 36084 1 496 . 1 1 54 54 ARG HD3 H 1 3.230 0.02 . 2 . . . A 239 ARG HD3 . 36084 1 497 . 1 1 54 54 ARG CA C 13 59.290 0.2 . 1 . . . A 239 ARG CA . 36084 1 498 . 1 1 54 54 ARG CB C 13 29.580 0.2 . 1 . . . A 239 ARG CB . 36084 1 499 . 1 1 54 54 ARG CG C 13 27.500 0.2 . 1 . . . A 239 ARG CG . 36084 1 500 . 1 1 54 54 ARG CD C 13 43.400 0.2 . 1 . . . A 239 ARG CD . 36084 1 501 . 1 1 54 54 ARG N N 15 117.980 0.1 . 1 . . . A 239 ARG N . 36084 1 502 . 1 1 55 55 GLY H H 1 7.590 0.02 . 1 . . . A 240 GLY H . 36084 1 503 . 1 1 55 55 GLY HA2 H 1 4.377 0.02 . 2 . . . A 240 GLY HA2 . 36084 1 504 . 1 1 55 55 GLY HA3 H 1 3.695 0.02 . 2 . . . A 240 GLY HA3 . 36084 1 505 . 1 1 55 55 GLY CA C 13 44.950 0.2 . 1 . . . A 240 GLY CA . 36084 1 506 . 1 1 55 55 GLY N N 15 105.350 0.1 . 1 . . . A 240 GLY N . 36084 1 507 . 1 1 56 56 CYS H H 1 7.331 0.02 . 1 . . . A 241 CYS H . 36084 1 508 . 1 1 56 56 CYS HA H 1 4.846 0.02 . 1 . . . A 241 CYS HA . 36084 1 509 . 1 1 56 56 CYS HB2 H 1 2.727 0.02 . 2 . . . A 241 CYS HB2 . 36084 1 510 . 1 1 56 56 CYS HB3 H 1 2.727 0.02 . 2 . . . A 241 CYS HB3 . 36084 1 511 . 1 1 56 56 CYS CA C 13 57.005 0.2 . 1 . . . A 241 CYS CA . 36084 1 512 . 1 1 56 56 CYS CB C 13 27.749 0.2 . 1 . . . A 241 CYS CB . 36084 1 513 . 1 1 56 56 CYS N N 15 120.931 0.1 . 1 . . . A 241 CYS N . 36084 1 514 . 1 1 57 57 ARG H H 1 9.078 0.02 . 1 . . . A 242 ARG H . 36084 1 515 . 1 1 57 57 ARG HA H 1 3.995 0.02 . 1 . . . A 242 ARG HA . 36084 1 516 . 1 1 57 57 ARG HB2 H 1 1.872 0.02 . 2 . . . A 242 ARG HB2 . 36084 1 517 . 1 1 57 57 ARG HB3 H 1 1.872 0.02 . 2 . . . A 242 ARG HB3 . 36084 1 518 . 1 1 57 57 ARG HG2 H 1 1.683 0.02 . 2 . . . A 242 ARG HG2 . 36084 1 519 . 1 1 57 57 ARG HG3 H 1 1.683 0.02 . 2 . . . A 242 ARG HG3 . 36084 1 520 . 1 1 57 57 ARG HD2 H 1 3.214 0.02 . 2 . . . A 242 ARG HD2 . 36084 1 521 . 1 1 57 57 ARG CA C 13 59.446 0.2 . 1 . . . A 242 ARG CA . 36084 1 522 . 1 1 57 57 ARG CB C 13 29.575 0.2 . 1 . . . A 242 ARG CB . 36084 1 523 . 1 1 57 57 ARG CG C 13 27.489 0.2 . 1 . . . A 242 ARG CG . 36084 1 524 . 1 1 57 57 ARG CD C 13 43.300 0.2 . 1 . . . A 242 ARG CD . 36084 1 525 . 1 1 57 57 ARG N N 15 130.763 0.1 . 1 . . . A 242 ARG N . 36084 1 526 . 1 1 58 58 ALA H H 1 8.368 0.02 . 1 . . . A 243 ALA H . 36084 1 527 . 1 1 58 58 ALA HA H 1 4.201 0.02 . 1 . . . A 243 ALA HA . 36084 1 528 . 1 1 58 58 ALA HB1 H 1 1.344 0.02 . 1 . . . A 243 ALA HB1 . 36084 1 529 . 1 1 58 58 ALA HB2 H 1 1.344 0.02 . 1 . . . A 243 ALA HB2 . 36084 1 530 . 1 1 58 58 ALA HB3 H 1 1.344 0.02 . 1 . . . A 243 ALA HB3 . 36084 1 531 . 1 1 58 58 ALA CA C 13 54.016 0.2 . 1 . . . A 243 ALA CA . 36084 1 532 . 1 1 58 58 ALA CB C 13 19.100 0.2 . 1 . . . A 243 ALA CB . 36084 1 533 . 1 1 58 58 ALA N N 15 120.759 0.1 . 1 . . . A 243 ALA N . 36084 1 534 . 1 1 59 59 LEU H H 1 7.450 0.02 . 1 . . . A 244 LEU H . 36084 1 535 . 1 1 59 59 LEU HA H 1 4.387 0.02 . 1 . . . A 244 LEU HA . 36084 1 536 . 1 1 59 59 LEU HB2 H 1 1.763 0.02 . 2 . . . A 244 LEU HB2 . 36084 1 537 . 1 1 59 59 LEU HB3 H 1 1.493 0.02 . 2 . . . A 244 LEU HB3 . 36084 1 538 . 1 1 59 59 LEU HG H 1 1.633 0.02 . 1 . . . A 244 LEU HG . 36084 1 539 . 1 1 59 59 LEU HD11 H 1 0.785 0.02 . 2 . . . A 244 LEU HD11 . 36084 1 540 . 1 1 59 59 LEU HD12 H 1 0.785 0.02 . 2 . . . A 244 LEU HD12 . 36084 1 541 . 1 1 59 59 LEU HD13 H 1 0.785 0.02 . 2 . . . A 244 LEU HD13 . 36084 1 542 . 1 1 59 59 LEU HD21 H 1 0.763 0.02 . 2 . . . A 244 LEU HD21 . 36084 1 543 . 1 1 59 59 LEU HD22 H 1 0.763 0.02 . 2 . . . A 244 LEU HD22 . 36084 1 544 . 1 1 59 59 LEU HD23 H 1 0.763 0.02 . 2 . . . A 244 LEU HD23 . 36084 1 545 . 1 1 59 59 LEU CA C 13 53.419 0.2 . 1 . . . A 244 LEU CA . 36084 1 546 . 1 1 59 59 LEU CB C 13 42.900 0.2 . 1 . . . A 244 LEU CB . 36084 1 547 . 1 1 59 59 LEU CG C 13 27.370 0.2 . 1 . . . A 244 LEU CG . 36084 1 548 . 1 1 59 59 LEU CD1 C 13 26.250 0.2 . 1 . . . A 244 LEU CD1 . 36084 1 549 . 1 1 59 59 LEU CD2 C 13 22.386 0.2 . 1 . . . A 244 LEU CD2 . 36084 1 550 . 1 1 59 59 LEU N N 15 114.661 0.1 . 1 . . . A 244 LEU N . 36084 1 551 . 1 1 60 60 ARG H H 1 7.451 0.02 . 1 . . . A 245 ARG H . 36084 1 552 . 1 1 60 60 ARG HA H 1 4.005 0.02 . 1 . . . A 245 ARG HA . 36084 1 553 . 1 1 60 60 ARG HB2 H 1 1.940 0.02 . 2 . . . A 245 ARG HB2 . 36084 1 554 . 1 1 60 60 ARG HB3 H 1 1.960 0.02 . 2 . . . A 245 ARG HB3 . 36084 1 555 . 1 1 60 60 ARG HG2 H 1 1.880 0.02 . 2 . . . A 245 ARG HG2 . 36084 1 556 . 1 1 60 60 ARG HG3 H 1 1.820 0.02 . 2 . . . A 245 ARG HG3 . 36084 1 557 . 1 1 60 60 ARG HD2 H 1 3.216 0.02 . 2 . . . A 245 ARG HD2 . 36084 1 558 . 1 1 60 60 ARG HD3 H 1 3.216 0.02 . 2 . . . A 245 ARG HD3 . 36084 1 559 . 1 1 60 60 ARG CA C 13 57.222 0.2 . 1 . . . A 245 ARG CA . 36084 1 560 . 1 1 60 60 ARG CB C 13 30.322 0.2 . 1 . . . A 245 ARG CB . 36084 1 561 . 1 1 60 60 ARG CG C 13 27.813 0.2 . 1 . . . A 245 ARG CG . 36084 1 562 . 1 1 60 60 ARG CD C 13 43.890 0.2 . 1 . . . A 245 ARG CD . 36084 1 563 . 1 1 60 60 ARG N N 15 120.165 0.1 . 1 . . . A 245 ARG N . 36084 1 564 . 1 1 61 61 ASP H H 1 8.832 0.02 . 1 . . . A 246 ASP H . 36084 1 565 . 1 1 61 61 ASP HA H 1 4.802 0.02 . 1 . . . A 246 ASP HA . 36084 1 566 . 1 1 61 61 ASP HB2 H 1 2.477 0.02 . 2 . . . A 246 ASP HB2 . 36084 1 567 . 1 1 61 61 ASP HB3 H 1 2.790 0.02 . 2 . . . A 246 ASP HB3 . 36084 1 568 . 1 1 61 61 ASP CA C 13 54.348 0.2 . 1 . . . A 246 ASP CA . 36084 1 569 . 1 1 61 61 ASP CB C 13 39.080 0.2 . 1 . . . A 246 ASP CB . 36084 1 570 . 1 1 61 61 ASP N N 15 124.579 0.1 . 1 . . . A 246 ASP N . 36084 1 571 . 1 1 62 62 PRO HA H 1 4.996 0.02 . 1 . . . A 247 PRO HA . 36084 1 572 . 1 1 62 62 PRO HB2 H 1 2.070 0.02 . 2 . . . A 247 PRO HB2 . 36084 1 573 . 1 1 62 62 PRO HB3 H 1 2.685 0.02 . 2 . . . A 247 PRO HB3 . 36084 1 574 . 1 1 62 62 PRO HG2 H 1 1.970 0.02 . 2 . . . A 247 PRO HG2 . 36084 1 575 . 1 1 62 62 PRO HG3 H 1 1.640 0.02 . 2 . . . A 247 PRO HG3 . 36084 1 576 . 1 1 62 62 PRO HD2 H 1 3.458 0.02 . 2 . . . A 247 PRO HD2 . 36084 1 577 . 1 1 62 62 PRO HD3 H 1 3.520 0.02 . 2 . . . A 247 PRO HD3 . 36084 1 578 . 1 1 62 62 PRO CA C 13 64.452 0.2 . 1 . . . A 247 PRO CA . 36084 1 579 . 1 1 62 62 PRO CB C 13 32.500 0.2 . 1 . . . A 247 PRO CB . 36084 1 580 . 1 1 62 62 PRO CG C 13 24.400 0.2 . 1 . . . A 247 PRO CG . 36084 1 581 . 1 1 62 62 PRO CD C 13 49.600 0.2 . 1 . . . A 247 PRO CD . 36084 1 582 . 1 1 63 63 ALA H H 1 9.245 0.02 . 1 . . . A 248 ALA H . 36084 1 583 . 1 1 63 63 ALA HA H 1 4.119 0.02 . 1 . . . A 248 ALA HA . 36084 1 584 . 1 1 63 63 ALA HB1 H 1 1.459 0.02 . 1 . . . A 248 ALA HB1 . 36084 1 585 . 1 1 63 63 ALA HB2 H 1 1.459 0.02 . 1 . . . A 248 ALA HB2 . 36084 1 586 . 1 1 63 63 ALA HB3 H 1 1.459 0.02 . 1 . . . A 248 ALA HB3 . 36084 1 587 . 1 1 63 63 ALA CA C 13 56.267 0.2 . 1 . . . A 248 ALA CA . 36084 1 588 . 1 1 63 63 ALA CB C 13 19.461 0.2 . 1 . . . A 248 ALA CB . 36084 1 589 . 1 1 63 63 ALA N N 15 126.536 0.1 . 1 . . . A 248 ALA N . 36084 1 590 . 1 1 64 64 LEU H H 1 7.926 0.02 . 1 . . . A 249 LEU H . 36084 1 591 . 1 1 64 64 LEU HA H 1 4.256 0.02 . 1 . . . A 249 LEU HA . 36084 1 592 . 1 1 64 64 LEU HB2 H 1 2.012 0.02 . 2 . . . A 249 LEU HB2 . 36084 1 593 . 1 1 64 64 LEU HB3 H 1 1.352 0.02 . 2 . . . A 249 LEU HB3 . 36084 1 594 . 1 1 64 64 LEU HG H 1 1.825 0.02 . 1 . . . A 249 LEU HG . 36084 1 595 . 1 1 64 64 LEU HD11 H 1 0.811 0.02 . 2 . . . A 249 LEU HD11 . 36084 1 596 . 1 1 64 64 LEU HD12 H 1 0.811 0.02 . 2 . . . A 249 LEU HD12 . 36084 1 597 . 1 1 64 64 LEU HD13 H 1 0.811 0.02 . 2 . . . A 249 LEU HD13 . 36084 1 598 . 1 1 64 64 LEU HD21 H 1 0.855 0.02 . 2 . . . A 249 LEU HD21 . 36084 1 599 . 1 1 64 64 LEU HD22 H 1 0.855 0.02 . 2 . . . A 249 LEU HD22 . 36084 1 600 . 1 1 64 64 LEU HD23 H 1 0.855 0.02 . 2 . . . A 249 LEU HD23 . 36084 1 601 . 1 1 64 64 LEU CA C 13 58.133 0.2 . 1 . . . A 249 LEU CA . 36084 1 602 . 1 1 64 64 LEU CB C 13 40.310 0.2 . 1 . . . A 249 LEU CB . 36084 1 603 . 1 1 64 64 LEU CG C 13 26.898 0.2 . 1 . . . A 249 LEU CG . 36084 1 604 . 1 1 64 64 LEU CD1 C 13 25.900 0.2 . 1 . . . A 249 LEU CD1 . 36084 1 605 . 1 1 64 64 LEU CD2 C 13 24.100 0.2 . 1 . . . A 249 LEU CD2 . 36084 1 606 . 1 1 64 64 LEU N N 15 114.628 0.1 . 1 . . . A 249 LEU N . 36084 1 607 . 1 1 65 65 ASP H H 1 7.677 0.02 . 1 . . . A 250 ASP H . 36084 1 608 . 1 1 65 65 ASP HA H 1 4.435 0.02 . 1 . . . A 250 ASP HA . 36084 1 609 . 1 1 65 65 ASP HB2 H 1 2.698 0.02 . 2 . . . A 250 ASP HB2 . 36084 1 610 . 1 1 65 65 ASP HB3 H 1 2.698 0.02 . 2 . . . A 250 ASP HB3 . 36084 1 611 . 1 1 65 65 ASP CA C 13 57.238 0.2 . 1 . . . A 250 ASP CA . 36084 1 612 . 1 1 65 65 ASP CB C 13 40.473 0.2 . 1 . . . A 250 ASP CB . 36084 1 613 . 1 1 65 65 ASP N N 15 119.235 0.1 . 1 . . . A 250 ASP N . 36084 1 614 . 1 1 66 66 SER H H 1 8.464 0.02 . 1 . . . A 251 SER H . 36084 1 615 . 1 1 66 66 SER HA H 1 4.342 0.02 . 1 . . . A 251 SER HA . 36084 1 616 . 1 1 66 66 SER HB2 H 1 3.997 0.02 . 2 . . . A 251 SER HB2 . 36084 1 617 . 1 1 66 66 SER HB3 H 1 3.997 0.02 . 2 . . . A 251 SER HB3 . 36084 1 618 . 1 1 66 66 SER CA C 13 61.787 0.2 . 1 . . . A 251 SER CA . 36084 1 619 . 1 1 66 66 SER CB C 13 62.545 0.2 . 1 . . . A 251 SER CB . 36084 1 620 . 1 1 66 66 SER N N 15 115.989 0.1 . 1 . . . A 251 SER N . 36084 1 621 . 1 1 67 67 LEU H H 1 8.081 0.02 . 1 . . . A 252 LEU H . 36084 1 622 . 1 1 67 67 LEU HA H 1 4.222 0.02 . 1 . . . A 252 LEU HA . 36084 1 623 . 1 1 67 67 LEU HB2 H 1 2.163 0.02 . 2 . . . A 252 LEU HB2 . 36084 1 624 . 1 1 67 67 LEU HB3 H 1 1.620 0.02 . 2 . . . A 252 LEU HB3 . 36084 1 625 . 1 1 67 67 LEU HG H 1 1.880 0.02 . 1 . . . A 252 LEU HG . 36084 1 626 . 1 1 67 67 LEU HD11 H 1 0.864 0.02 . 2 . . . A 252 LEU HD11 . 36084 1 627 . 1 1 67 67 LEU HD12 H 1 0.864 0.02 . 2 . . . A 252 LEU HD12 . 36084 1 628 . 1 1 67 67 LEU HD13 H 1 0.864 0.02 . 2 . . . A 252 LEU HD13 . 36084 1 629 . 1 1 67 67 LEU HD21 H 1 0.863 0.02 . 2 . . . A 252 LEU HD21 . 36084 1 630 . 1 1 67 67 LEU HD22 H 1 0.863 0.02 . 2 . . . A 252 LEU HD22 . 36084 1 631 . 1 1 67 67 LEU HD23 H 1 0.863 0.02 . 2 . . . A 252 LEU HD23 . 36084 1 632 . 1 1 67 67 LEU CA C 13 58.505 0.2 . 1 . . . A 252 LEU CA . 36084 1 633 . 1 1 67 67 LEU CB C 13 43.083 0.2 . 1 . . . A 252 LEU CB . 36084 1 634 . 1 1 67 67 LEU CG C 13 27.400 0.2 . 1 . . . A 252 LEU CG . 36084 1 635 . 1 1 67 67 LEU CD1 C 13 26.250 0.2 . 1 . . . A 252 LEU CD1 . 36084 1 636 . 1 1 67 67 LEU CD2 C 13 24.500 0.2 . 1 . . . A 252 LEU CD2 . 36084 1 637 . 1 1 67 67 LEU N N 15 123.308 0.1 . 1 . . . A 252 LEU N . 36084 1 638 . 1 1 68 68 ALA H H 1 8.099 0.02 . 1 . . . A 253 ALA H . 36084 1 639 . 1 1 68 68 ALA HA H 1 4.113 0.02 . 1 . . . A 253 ALA HA . 36084 1 640 . 1 1 68 68 ALA HB1 H 1 1.758 0.02 . 1 . . . A 253 ALA HB1 . 36084 1 641 . 1 1 68 68 ALA HB2 H 1 1.758 0.02 . 1 . . . A 253 ALA HB2 . 36084 1 642 . 1 1 68 68 ALA HB3 H 1 1.758 0.02 . 1 . . . A 253 ALA HB3 . 36084 1 643 . 1 1 68 68 ALA CA C 13 55.250 0.2 . 1 . . . A 253 ALA CA . 36084 1 644 . 1 1 68 68 ALA CB C 13 18.383 0.2 . 1 . . . A 253 ALA CB . 36084 1 645 . 1 1 68 68 ALA N N 15 120.158 0.1 . 1 . . . A 253 ALA N . 36084 1 646 . 1 1 69 69 TYR H H 1 7.986 0.02 . 1 . . . A 254 TYR H . 36084 1 647 . 1 1 69 69 TYR HA H 1 4.327 0.02 . 1 . . . A 254 TYR HA . 36084 1 648 . 1 1 69 69 TYR HB2 H 1 3.190 0.02 . 2 . . . A 254 TYR HB2 . 36084 1 649 . 1 1 69 69 TYR HB3 H 1 3.090 0.02 . 2 . . . A 254 TYR HB3 . 36084 1 650 . 1 1 69 69 TYR HD1 H 1 7.138 0.02 . 3 . . . A 254 TYR HD1 . 36084 1 651 . 1 1 69 69 TYR HE1 H 1 6.802 0.02 . 3 . . . A 254 TYR HE1 . 36084 1 652 . 1 1 69 69 TYR CA C 13 60.475 0.2 . 1 . . . A 254 TYR CA . 36084 1 653 . 1 1 69 69 TYR CB C 13 38.500 0.2 . 1 . . . A 254 TYR CB . 36084 1 654 . 1 1 69 69 TYR CD1 C 13 133.138 0.2 . 3 . . . A 254 TYR CD1 . 36084 1 655 . 1 1 69 69 TYR CE1 C 13 118.100 0.2 . 3 . . . A 254 TYR CE1 . 36084 1 656 . 1 1 69 69 TYR N N 15 115.699 0.1 . 1 . . . A 254 TYR N . 36084 1 657 . 1 1 70 70 GLU H H 1 8.541 0.02 . 1 . . . A 255 GLU H . 36084 1 658 . 1 1 70 70 GLU HA H 1 3.705 0.02 . 1 . . . A 255 GLU HA . 36084 1 659 . 1 1 70 70 GLU HB2 H 1 1.972 0.02 . 2 . . . A 255 GLU HB2 . 36084 1 660 . 1 1 70 70 GLU HB3 H 1 1.532 0.02 . 2 . . . A 255 GLU HB3 . 36084 1 661 . 1 1 70 70 GLU HG2 H 1 1.506 0.02 . 2 . . . A 255 GLU HG2 . 36084 1 662 . 1 1 70 70 GLU HG3 H 1 2.105 0.02 . 2 . . . A 255 GLU HG3 . 36084 1 663 . 1 1 70 70 GLU CA C 13 58.576 0.2 . 1 . . . A 255 GLU CA . 36084 1 664 . 1 1 70 70 GLU CB C 13 28.800 0.2 . 1 . . . A 255 GLU CB . 36084 1 665 . 1 1 70 70 GLU CG C 13 33.729 0.2 . 1 . . . A 255 GLU CG . 36084 1 666 . 1 1 70 70 GLU N N 15 119.287 0.1 . 1 . . . A 255 GLU N . 36084 1 667 . 1 1 71 71 TYR H H 1 7.413 0.02 . 1 . . . A 256 TYR H . 36084 1 668 . 1 1 71 71 TYR HA H 1 4.954 0.02 . 1 . . . A 256 TYR HA . 36084 1 669 . 1 1 71 71 TYR HB2 H 1 3.164 0.02 . 2 . . . A 256 TYR HB2 . 36084 1 670 . 1 1 71 71 TYR HB3 H 1 2.383 0.02 . 2 . . . A 256 TYR HB3 . 36084 1 671 . 1 1 71 71 TYR HD1 H 1 7.181 0.02 . 3 . . . A 256 TYR HD1 . 36084 1 672 . 1 1 71 71 TYR HE1 H 1 6.687 0.02 . 3 . . . A 256 TYR HE1 . 36084 1 673 . 1 1 71 71 TYR CA C 13 57.952 0.2 . 1 . . . A 256 TYR CA . 36084 1 674 . 1 1 71 71 TYR CB C 13 38.120 0.2 . 1 . . . A 256 TYR CB . 36084 1 675 . 1 1 71 71 TYR CD1 C 13 133.309 0.2 . 3 . . . A 256 TYR CD1 . 36084 1 676 . 1 1 71 71 TYR CE1 C 13 117.974 0.2 . 3 . . . A 256 TYR CE1 . 36084 1 677 . 1 1 71 71 TYR N N 15 112.614 0.1 . 1 . . . A 256 TYR N . 36084 1 678 . 1 1 72 72 GLU H H 1 7.453 0.02 . 1 . . . A 257 GLU H . 36084 1 679 . 1 1 72 72 GLU HA H 1 3.900 0.02 . 1 . . . A 257 GLU HA . 36084 1 680 . 1 1 72 72 GLU HB2 H 1 2.086 0.02 . 2 . . . A 257 GLU HB2 . 36084 1 681 . 1 1 72 72 GLU HB3 H 1 2.436 0.02 . 2 . . . A 257 GLU HB3 . 36084 1 682 . 1 1 72 72 GLU HG2 H 1 2.359 0.02 . 2 . . . A 257 GLU HG2 . 36084 1 683 . 1 1 72 72 GLU HG3 H 1 2.359 0.02 . 2 . . . A 257 GLU HG3 . 36084 1 684 . 1 1 72 72 GLU CA C 13 59.774 0.2 . 1 . . . A 257 GLU CA . 36084 1 685 . 1 1 72 72 GLU CB C 13 28.466 0.2 . 1 . . . A 257 GLU CB . 36084 1 686 . 1 1 72 72 GLU CG C 13 33.761 0.2 . 1 . . . A 257 GLU CG . 36084 1 687 . 1 1 72 72 GLU N N 15 122.178 0.1 . 1 . . . A 257 GLU N . 36084 1 688 . 1 1 73 73 ARG H H 1 8.654 0.02 . 1 . . . A 258 ARG H . 36084 1 689 . 1 1 73 73 ARG HA H 1 4.066 0.02 . 1 . . . A 258 ARG HA . 36084 1 690 . 1 1 73 73 ARG HB2 H 1 1.789 0.02 . 2 . . . A 258 ARG HB2 . 36084 1 691 . 1 1 73 73 ARG HB3 H 1 1.789 0.02 . 2 . . . A 258 ARG HB3 . 36084 1 692 . 1 1 73 73 ARG HG2 H 1 1.626 0.02 . 2 . . . A 258 ARG HG2 . 36084 1 693 . 1 1 73 73 ARG HG3 H 1 1.626 0.02 . 2 . . . A 258 ARG HG3 . 36084 1 694 . 1 1 73 73 ARG HD2 H 1 3.175 0.02 . 2 . . . A 258 ARG HD2 . 36084 1 695 . 1 1 73 73 ARG HD3 H 1 3.175 0.02 . 2 . . . A 258 ARG HD3 . 36084 1 696 . 1 1 73 73 ARG CA C 13 58.159 0.2 . 1 . . . A 258 ARG CA . 36084 1 697 . 1 1 73 73 ARG CB C 13 29.480 0.2 . 1 . . . A 258 ARG CB . 36084 1 698 . 1 1 73 73 ARG CG C 13 27.422 0.2 . 1 . . . A 258 ARG CG . 36084 1 699 . 1 1 73 73 ARG CD C 13 43.200 0.2 . 1 . . . A 258 ARG CD . 36084 1 700 . 1 1 73 73 ARG N N 15 117.332 0.1 . 1 . . . A 258 ARG N . 36084 1 701 . 1 1 74 74 GLU H H 1 7.909 0.02 . 1 . . . A 259 GLU H . 36084 1 702 . 1 1 74 74 GLU HA H 1 4.291 0.02 . 1 . . . A 259 GLU HA . 36084 1 703 . 1 1 74 74 GLU HB2 H 1 2.220 0.02 . 2 . . . A 259 GLU HB2 . 36084 1 704 . 1 1 74 74 GLU HB3 H 1 2.140 0.02 . 2 . . . A 259 GLU HB3 . 36084 1 705 . 1 1 74 74 GLU HG2 H 1 2.409 0.02 . 2 . . . A 259 GLU HG2 . 36084 1 706 . 1 1 74 74 GLU HG3 H 1 2.590 0.02 . 2 . . . A 259 GLU HG3 . 36084 1 707 . 1 1 74 74 GLU CA C 13 57.924 0.2 . 1 . . . A 259 GLU CA . 36084 1 708 . 1 1 74 74 GLU CB C 13 29.547 0.2 . 1 . . . A 259 GLU CB . 36084 1 709 . 1 1 74 74 GLU CG C 13 35.700 0.2 . 1 . . . A 259 GLU CG . 36084 1 710 . 1 1 74 74 GLU N N 15 117.346 0.1 . 1 . . . A 259 GLU N . 36084 1 711 . 1 1 75 75 GLY H H 1 7.607 0.02 . 1 . . . A 260 GLY H . 36084 1 712 . 1 1 75 75 GLY HA2 H 1 4.501 0.02 . 2 . . . A 260 GLY HA2 . 36084 1 713 . 1 1 75 75 GLY HA3 H 1 3.828 0.02 . 2 . . . A 260 GLY HA3 . 36084 1 714 . 1 1 75 75 GLY CA C 13 44.586 0.2 . 1 . . . A 260 GLY CA . 36084 1 715 . 1 1 75 75 GLY N N 15 106.995 0.1 . 1 . . . A 260 GLY N . 36084 1 716 . 1 1 76 76 LEU H H 1 8.173 0.02 . 1 . . . A 261 LEU H . 36084 1 717 . 1 1 76 76 LEU HA H 1 3.985 0.02 . 1 . . . A 261 LEU HA . 36084 1 718 . 1 1 76 76 LEU HB2 H 1 1.784 0.02 . 2 . . . A 261 LEU HB2 . 36084 1 719 . 1 1 76 76 LEU HB3 H 1 1.417 0.02 . 2 . . . A 261 LEU HB3 . 36084 1 720 . 1 1 76 76 LEU HG H 1 1.813 0.02 . 1 . . . A 261 LEU HG . 36084 1 721 . 1 1 76 76 LEU HD11 H 1 0.994 0.02 . 2 . . . A 261 LEU HD11 . 36084 1 722 . 1 1 76 76 LEU HD12 H 1 0.994 0.02 . 2 . . . A 261 LEU HD12 . 36084 1 723 . 1 1 76 76 LEU HD13 H 1 0.994 0.02 . 2 . . . A 261 LEU HD13 . 36084 1 724 . 1 1 76 76 LEU HD21 H 1 1.045 0.02 . 2 . . . A 261 LEU HD21 . 36084 1 725 . 1 1 76 76 LEU HD22 H 1 1.045 0.02 . 2 . . . A 261 LEU HD22 . 36084 1 726 . 1 1 76 76 LEU HD23 H 1 1.045 0.02 . 2 . . . A 261 LEU HD23 . 36084 1 727 . 1 1 76 76 LEU CA C 13 58.136 0.2 . 1 . . . A 261 LEU CA . 36084 1 728 . 1 1 76 76 LEU CB C 13 42.805 0.2 . 1 . . . A 261 LEU CB . 36084 1 729 . 1 1 76 76 LEU CG C 13 27.100 0.2 . 1 . . . A 261 LEU CG . 36084 1 730 . 1 1 76 76 LEU CD1 C 13 25.600 0.2 . 1 . . . A 261 LEU CD1 . 36084 1 731 . 1 1 76 76 LEU CD2 C 13 24.000 0.2 . 1 . . . A 261 LEU CD2 . 36084 1 732 . 1 1 76 76 LEU N N 15 118.777 0.1 . 1 . . . A 261 LEU N . 36084 1 733 . 1 1 77 77 TYR H H 1 8.465 0.02 . 1 . . . A 262 TYR H . 36084 1 734 . 1 1 77 77 TYR HA H 1 4.063 0.02 . 1 . . . A 262 TYR HA . 36084 1 735 . 1 1 77 77 TYR HB2 H 1 3.000 0.02 . 2 . . . A 262 TYR HB2 . 36084 1 736 . 1 1 77 77 TYR HB3 H 1 2.980 0.02 . 2 . . . A 262 TYR HB3 . 36084 1 737 . 1 1 77 77 TYR HD1 H 1 6.756 0.02 . 3 . . . A 262 TYR HD1 . 36084 1 738 . 1 1 77 77 TYR HE1 H 1 6.554 0.02 . 3 . . . A 262 TYR HE1 . 36084 1 739 . 1 1 77 77 TYR CA C 13 60.957 0.2 . 1 . . . A 262 TYR CA . 36084 1 740 . 1 1 77 77 TYR CB C 13 37.519 0.2 . 1 . . . A 262 TYR CB . 36084 1 741 . 1 1 77 77 TYR CD1 C 13 133.189 0.2 . 3 . . . A 262 TYR CD1 . 36084 1 742 . 1 1 77 77 TYR CE1 C 13 117.683 0.2 . 3 . . . A 262 TYR CE1 . 36084 1 743 . 1 1 77 77 TYR N N 15 119.200 0.1 . 1 . . . A 262 TYR N . 36084 1 744 . 1 1 78 78 GLU H H 1 7.544 0.02 . 1 . . . A 263 GLU H . 36084 1 745 . 1 1 78 78 GLU HA H 1 3.838 0.02 . 1 . . . A 263 GLU HA . 36084 1 746 . 1 1 78 78 GLU HB2 H 1 2.100 0.02 . 2 . . . A 263 GLU HB2 . 36084 1 747 . 1 1 78 78 GLU HB3 H 1 1.839 0.02 . 2 . . . A 263 GLU HB3 . 36084 1 748 . 1 1 78 78 GLU HG2 H 1 2.493 0.02 . 2 . . . A 263 GLU HG2 . 36084 1 749 . 1 1 78 78 GLU HG3 H 1 2.062 0.02 . 2 . . . A 263 GLU HG3 . 36084 1 750 . 1 1 78 78 GLU CA C 13 58.293 0.2 . 1 . . . A 263 GLU CA . 36084 1 751 . 1 1 78 78 GLU CB C 13 29.600 0.2 . 1 . . . A 263 GLU CB . 36084 1 752 . 1 1 78 78 GLU CG C 13 34.600 0.2 . 1 . . . A 263 GLU CG . 36084 1 753 . 1 1 78 78 GLU N N 15 118.719 0.1 . 1 . . . A 263 GLU N . 36084 1 754 . 1 1 79 79 GLN H H 1 7.710 0.02 . 1 . . . A 264 GLN H . 36084 1 755 . 1 1 79 79 GLN HA H 1 3.024 0.02 . 1 . . . A 264 GLN HA . 36084 1 756 . 1 1 79 79 GLN HB2 H 1 0.305 0.02 . 2 . . . A 264 GLN HB2 . 36084 1 757 . 1 1 79 79 GLN HB3 H 1 1.347 0.02 . 2 . . . A 264 GLN HB3 . 36084 1 758 . 1 1 79 79 GLN HG2 H 1 1.770 0.02 . 2 . . . A 264 GLN HG2 . 36084 1 759 . 1 1 79 79 GLN HG3 H 1 2.275 0.02 . 2 . . . A 264 GLN HG3 . 36084 1 760 . 1 1 79 79 GLN HE21 H 1 7.027 0.02 . 2 . . . A 264 GLN HE21 . 36084 1 761 . 1 1 79 79 GLN HE22 H 1 7.027 0.02 . 2 . . . A 264 GLN HE22 . 36084 1 762 . 1 1 79 79 GLN CA C 13 59.671 0.2 . 1 . . . A 264 GLN CA . 36084 1 763 . 1 1 79 79 GLN CB C 13 27.200 0.2 . 1 . . . A 264 GLN CB . 36084 1 764 . 1 1 79 79 GLN CG C 13 35.300 0.2 . 1 . . . A 264 GLN CG . 36084 1 765 . 1 1 79 79 GLN N N 15 117.040 0.1 . 1 . . . A 264 GLN N . 36084 1 766 . 1 1 79 79 GLN NE2 N 15 110.350 0.1 . 1 . . . A 264 GLN NE2 . 36084 1 767 . 1 1 80 80 ALA H H 1 7.266 0.02 . 1 . . . A 265 ALA H . 36084 1 768 . 1 1 80 80 ALA HA H 1 3.544 0.02 . 1 . . . A 265 ALA HA . 36084 1 769 . 1 1 80 80 ALA HB1 H 1 1.249 0.02 . 1 . . . A 265 ALA HB1 . 36084 1 770 . 1 1 80 80 ALA HB2 H 1 1.249 0.02 . 1 . . . A 265 ALA HB2 . 36084 1 771 . 1 1 80 80 ALA HB3 H 1 1.249 0.02 . 1 . . . A 265 ALA HB3 . 36084 1 772 . 1 1 80 80 ALA CA C 13 54.979 0.2 . 1 . . . A 265 ALA CA . 36084 1 773 . 1 1 80 80 ALA CB C 13 19.886 0.2 . 1 . . . A 265 ALA CB . 36084 1 774 . 1 1 80 80 ALA N N 15 117.811 0.1 . 1 . . . A 265 ALA N . 36084 1 775 . 1 1 81 81 PHE H H 1 8.644 0.02 . 1 . . . A 266 PHE H . 36084 1 776 . 1 1 81 81 PHE HA H 1 3.743 0.02 . 1 . . . A 266 PHE HA . 36084 1 777 . 1 1 81 81 PHE HB2 H 1 2.438 0.02 . 2 . . . A 266 PHE HB2 . 36084 1 778 . 1 1 81 81 PHE HB3 H 1 2.651 0.02 . 2 . . . A 266 PHE HB3 . 36084 1 779 . 1 1 81 81 PHE HD1 H 1 6.790 0.02 . 3 . . . A 266 PHE HD1 . 36084 1 780 . 1 1 81 81 PHE HE1 H 1 7.159 0.02 . 3 . . . A 266 PHE HE1 . 36084 1 781 . 1 1 81 81 PHE HZ H 1 7.177 0.02 . 1 . . . A 266 PHE HZ . 36084 1 782 . 1 1 81 81 PHE CA C 13 61.756 0.2 . 1 . . . A 266 PHE CA . 36084 1 783 . 1 1 81 81 PHE CB C 13 39.697 0.2 . 1 . . . A 266 PHE CB . 36084 1 784 . 1 1 81 81 PHE CD1 C 13 131.373 0.2 . 3 . . . A 266 PHE CD1 . 36084 1 785 . 1 1 81 81 PHE CE1 C 13 131.311 0.2 . 3 . . . A 266 PHE CE1 . 36084 1 786 . 1 1 81 81 PHE CZ C 13 129.669 0.2 . 1 . . . A 266 PHE CZ . 36084 1 787 . 1 1 81 81 PHE N N 15 118.340 0.1 . 1 . . . A 266 PHE N . 36084 1 788 . 1 1 82 82 GLN H H 1 8.477 0.02 . 1 . . . A 267 GLN H . 36084 1 789 . 1 1 82 82 GLN HA H 1 3.616 0.02 . 1 . . . A 267 GLN HA . 36084 1 790 . 1 1 82 82 GLN HB2 H 1 1.344 0.02 . 2 . . . A 267 GLN HB2 . 36084 1 791 . 1 1 82 82 GLN HB3 H 1 1.652 0.02 . 2 . . . A 267 GLN HB3 . 36084 1 792 . 1 1 82 82 GLN HG2 H 1 2.257 0.02 . 2 . . . A 267 GLN HG2 . 36084 1 793 . 1 1 82 82 GLN HG3 H 1 0.432 0.02 . 2 . . . A 267 GLN HG3 . 36084 1 794 . 1 1 82 82 GLN HE21 H 1 7.627 0.02 . 2 . . . A 267 GLN HE21 . 36084 1 795 . 1 1 82 82 GLN HE22 H 1 6.666 0.02 . 2 . . . A 267 GLN HE22 . 36084 1 796 . 1 1 82 82 GLN CA C 13 57.600 0.2 . 1 . . . A 267 GLN CA . 36084 1 797 . 1 1 82 82 GLN CB C 13 26.557 0.2 . 1 . . . A 267 GLN CB . 36084 1 798 . 1 1 82 82 GLN CG C 13 31.349 0.2 . 1 . . . A 267 GLN CG . 36084 1 799 . 1 1 82 82 GLN N N 15 116.594 0.1 . 1 . . . A 267 GLN N . 36084 1 800 . 1 1 82 82 GLN NE2 N 15 110.835 0.1 . 1 . . . A 267 GLN NE2 . 36084 1 801 . 1 1 83 83 LEU H H 1 7.802 0.02 . 1 . . . A 268 LEU H . 36084 1 802 . 1 1 83 83 LEU HA H 1 3.883 0.02 . 1 . . . A 268 LEU HA . 36084 1 803 . 1 1 83 83 LEU HB2 H 1 1.624 0.02 . 2 . . . A 268 LEU HB2 . 36084 1 804 . 1 1 83 83 LEU HB3 H 1 2.382 0.02 . 2 . . . A 268 LEU HB3 . 36084 1 805 . 1 1 83 83 LEU HG H 1 1.350 0.02 . 1 . . . A 268 LEU HG . 36084 1 806 . 1 1 83 83 LEU HD11 H 1 1.130 0.02 . 2 . . . A 268 LEU HD11 . 36084 1 807 . 1 1 83 83 LEU HD12 H 1 1.130 0.02 . 2 . . . A 268 LEU HD12 . 36084 1 808 . 1 1 83 83 LEU HD13 H 1 1.130 0.02 . 2 . . . A 268 LEU HD13 . 36084 1 809 . 1 1 83 83 LEU HD21 H 1 0.980 0.02 . 2 . . . A 268 LEU HD21 . 36084 1 810 . 1 1 83 83 LEU HD22 H 1 0.980 0.02 . 2 . . . A 268 LEU HD22 . 36084 1 811 . 1 1 83 83 LEU HD23 H 1 0.980 0.02 . 2 . . . A 268 LEU HD23 . 36084 1 812 . 1 1 83 83 LEU CA C 13 58.803 0.2 . 1 . . . A 268 LEU CA . 36084 1 813 . 1 1 83 83 LEU CB C 13 40.512 0.2 . 1 . . . A 268 LEU CB . 36084 1 814 . 1 1 83 83 LEU CG C 13 27.400 0.2 . 1 . . . A 268 LEU CG . 36084 1 815 . 1 1 83 83 LEU CD1 C 13 26.700 0.2 . 1 . . . A 268 LEU CD1 . 36084 1 816 . 1 1 83 83 LEU CD2 C 13 25.000 0.2 . 1 . . . A 268 LEU CD2 . 36084 1 817 . 1 1 83 83 LEU N N 15 121.289 0.1 . 1 . . . A 268 LEU N . 36084 1 818 . 1 1 84 84 LEU H H 1 7.038 0.02 . 1 . . . A 269 LEU H . 36084 1 819 . 1 1 84 84 LEU HA H 1 4.018 0.02 . 1 . . . A 269 LEU HA . 36084 1 820 . 1 1 84 84 LEU HB2 H 1 1.180 0.02 . 2 . . . A 269 LEU HB2 . 36084 1 821 . 1 1 84 84 LEU HB3 H 1 1.630 0.02 . 2 . . . A 269 LEU HB3 . 36084 1 822 . 1 1 84 84 LEU HG H 1 1.523 0.02 . 1 . . . A 269 LEU HG . 36084 1 823 . 1 1 84 84 LEU HD11 H 1 0.337 0.02 . 2 . . . A 269 LEU HD11 . 36084 1 824 . 1 1 84 84 LEU HD12 H 1 0.337 0.02 . 2 . . . A 269 LEU HD12 . 36084 1 825 . 1 1 84 84 LEU HD13 H 1 0.337 0.02 . 2 . . . A 269 LEU HD13 . 36084 1 826 . 1 1 84 84 LEU HD21 H 1 0.153 0.02 . 2 . . . A 269 LEU HD21 . 36084 1 827 . 1 1 84 84 LEU HD22 H 1 0.153 0.02 . 2 . . . A 269 LEU HD22 . 36084 1 828 . 1 1 84 84 LEU HD23 H 1 0.153 0.02 . 2 . . . A 269 LEU HD23 . 36084 1 829 . 1 1 84 84 LEU CA C 13 56.417 0.2 . 1 . . . A 269 LEU CA . 36084 1 830 . 1 1 84 84 LEU CB C 13 40.670 0.2 . 1 . . . A 269 LEU CB . 36084 1 831 . 1 1 84 84 LEU CG C 13 26.400 0.2 . 1 . . . A 269 LEU CG . 36084 1 832 . 1 1 84 84 LEU CD1 C 13 27.278 0.2 . 1 . . . A 269 LEU CD1 . 36084 1 833 . 1 1 84 84 LEU CD2 C 13 22.234 0.2 . 1 . . . A 269 LEU CD2 . 36084 1 834 . 1 1 84 84 LEU N N 15 115.070 0.1 . 1 . . . A 269 LEU N . 36084 1 835 . 1 1 85 85 ARG H H 1 8.393 0.02 . 1 . . . A 270 ARG H . 36084 1 836 . 1 1 85 85 ARG HA H 1 3.661 0.02 . 1 . . . A 270 ARG HA . 36084 1 837 . 1 1 85 85 ARG HB2 H 1 1.383 0.02 . 2 . . . A 270 ARG HB2 . 36084 1 838 . 1 1 85 85 ARG HB3 H 1 1.625 0.02 . 2 . . . A 270 ARG HB3 . 36084 1 839 . 1 1 85 85 ARG HG2 H 1 1.320 0.02 . 2 . . . A 270 ARG HG2 . 36084 1 840 . 1 1 85 85 ARG HG3 H 1 1.200 0.02 . 2 . . . A 270 ARG HG3 . 36084 1 841 . 1 1 85 85 ARG HD2 H 1 2.930 0.02 . 2 . . . A 270 ARG HD2 . 36084 1 842 . 1 1 85 85 ARG HD3 H 1 2.870 0.02 . 2 . . . A 270 ARG HD3 . 36084 1 843 . 1 1 85 85 ARG CA C 13 59.319 0.2 . 1 . . . A 270 ARG CA . 36084 1 844 . 1 1 85 85 ARG CB C 13 29.000 0.2 . 1 . . . A 270 ARG CB . 36084 1 845 . 1 1 85 85 ARG CG C 13 26.553 0.2 . 1 . . . A 270 ARG CG . 36084 1 846 . 1 1 85 85 ARG CD C 13 42.600 0.2 . 1 . . . A 270 ARG CD . 36084 1 847 . 1 1 85 85 ARG N N 15 120.906 0.1 . 1 . . . A 270 ARG N . 36084 1 848 . 1 1 86 86 ARG H H 1 8.147 0.02 . 1 . . . A 271 ARG H . 36084 1 849 . 1 1 86 86 ARG HA H 1 3.999 0.02 . 1 . . . A 271 ARG HA . 36084 1 850 . 1 1 86 86 ARG HB2 H 1 1.960 0.02 . 2 . . . A 271 ARG HB2 . 36084 1 851 . 1 1 86 86 ARG HB3 H 1 1.840 0.02 . 2 . . . A 271 ARG HB3 . 36084 1 852 . 1 1 86 86 ARG HG2 H 1 1.699 0.02 . 2 . . . A 271 ARG HG2 . 36084 1 853 . 1 1 86 86 ARG HG3 H 1 1.699 0.02 . 2 . . . A 271 ARG HG3 . 36084 1 854 . 1 1 86 86 ARG HD2 H 1 3.168 0.02 . 2 . . . A 271 ARG HD2 . 36084 1 855 . 1 1 86 86 ARG HD3 H 1 3.168 0.02 . 2 . . . A 271 ARG HD3 . 36084 1 856 . 1 1 86 86 ARG HE H 1 7.375 0.02 . 1 . . . A 271 ARG HE . 36084 1 857 . 1 1 86 86 ARG CA C 13 58.539 0.2 . 1 . . . A 271 ARG CA . 36084 1 858 . 1 1 86 86 ARG CB C 13 29.090 0.2 . 1 . . . A 271 ARG CB . 36084 1 859 . 1 1 86 86 ARG CG C 13 27.473 0.2 . 1 . . . A 271 ARG CG . 36084 1 860 . 1 1 86 86 ARG CD C 13 42.647 0.2 . 1 . . . A 271 ARG CD . 36084 1 861 . 1 1 86 86 ARG N N 15 118.591 0.1 . 1 . . . A 271 ARG N . 36084 1 862 . 1 1 86 86 ARG NE N 15 83.761 0.1 . 1 . . . A 271 ARG NE . 36084 1 863 . 1 1 87 87 PHE H H 1 7.844 0.02 . 1 . . . A 272 PHE H . 36084 1 864 . 1 1 87 87 PHE HA H 1 4.304 0.02 . 1 . . . A 272 PHE HA . 36084 1 865 . 1 1 87 87 PHE HB2 H 1 3.263 0.02 . 2 . . . A 272 PHE HB2 . 36084 1 866 . 1 1 87 87 PHE HB3 H 1 3.040 0.02 . 2 . . . A 272 PHE HB3 . 36084 1 867 . 1 1 87 87 PHE HD1 H 1 7.104 0.02 . 3 . . . A 272 PHE HD1 . 36084 1 868 . 1 1 87 87 PHE HE1 H 1 7.044 0.02 . 3 . . . A 272 PHE HE1 . 36084 1 869 . 1 1 87 87 PHE HZ H 1 6.944 0.02 . 1 . . . A 272 PHE HZ . 36084 1 870 . 1 1 87 87 PHE CA C 13 60.275 0.2 . 1 . . . A 272 PHE CA . 36084 1 871 . 1 1 87 87 PHE CB C 13 39.958 0.2 . 1 . . . A 272 PHE CB . 36084 1 872 . 1 1 87 87 PHE CD1 C 13 131.916 0.2 . 3 . . . A 272 PHE CD1 . 36084 1 873 . 1 1 87 87 PHE CE1 C 13 130.675 0.2 . 3 . . . A 272 PHE CE1 . 36084 1 874 . 1 1 87 87 PHE CZ C 13 128.935 0.2 . 1 . . . A 272 PHE CZ . 36084 1 875 . 1 1 87 87 PHE N N 15 120.110 0.1 . 1 . . . A 272 PHE N . 36084 1 876 . 1 1 88 88 VAL H H 1 8.635 0.02 . 1 . . . A 273 VAL H . 36084 1 877 . 1 1 88 88 VAL HA H 1 3.223 0.02 . 1 . . . A 273 VAL HA . 36084 1 878 . 1 1 88 88 VAL HB H 1 1.967 0.02 . 1 . . . A 273 VAL HB . 36084 1 879 . 1 1 88 88 VAL HG11 H 1 0.832 0.02 . 2 . . . A 273 VAL HG11 . 36084 1 880 . 1 1 88 88 VAL HG12 H 1 0.832 0.02 . 2 . . . A 273 VAL HG12 . 36084 1 881 . 1 1 88 88 VAL HG13 H 1 0.832 0.02 . 2 . . . A 273 VAL HG13 . 36084 1 882 . 1 1 88 88 VAL HG21 H 1 0.904 0.02 . 2 . . . A 273 VAL HG21 . 36084 1 883 . 1 1 88 88 VAL HG22 H 1 0.904 0.02 . 2 . . . A 273 VAL HG22 . 36084 1 884 . 1 1 88 88 VAL HG23 H 1 0.904 0.02 . 2 . . . A 273 VAL HG23 . 36084 1 885 . 1 1 88 88 VAL CA C 13 65.991 0.2 . 1 . . . A 273 VAL CA . 36084 1 886 . 1 1 88 88 VAL CB C 13 31.584 0.2 . 1 . . . A 273 VAL CB . 36084 1 887 . 1 1 88 88 VAL CG1 C 13 21.068 0.2 . 1 . . . A 273 VAL CG1 . 36084 1 888 . 1 1 88 88 VAL CG2 C 13 23.200 0.2 . 1 . . . A 273 VAL CG2 . 36084 1 889 . 1 1 88 88 VAL N N 15 118.693 0.1 . 1 . . . A 273 VAL N . 36084 1 890 . 1 1 89 89 GLN H H 1 8.401 0.02 . 1 . . . A 274 GLN H . 36084 1 891 . 1 1 89 89 GLN HA H 1 3.858 0.02 . 1 . . . A 274 GLN HA . 36084 1 892 . 1 1 89 89 GLN HB2 H 1 2.120 0.02 . 2 . . . A 274 GLN HB2 . 36084 1 893 . 1 1 89 89 GLN HB3 H 1 2.020 0.02 . 2 . . . A 274 GLN HB3 . 36084 1 894 . 1 1 89 89 GLN HG2 H 1 2.438 0.02 . 2 . . . A 274 GLN HG2 . 36084 1 895 . 1 1 89 89 GLN HG3 H 1 2.281 0.02 . 2 . . . A 274 GLN HG3 . 36084 1 896 . 1 1 89 89 GLN HE21 H 1 6.702 0.02 . 2 . . . A 274 GLN HE21 . 36084 1 897 . 1 1 89 89 GLN HE22 H 1 7.366 0.02 . 2 . . . A 274 GLN HE22 . 36084 1 898 . 1 1 89 89 GLN CA C 13 58.886 0.2 . 1 . . . A 274 GLN CA . 36084 1 899 . 1 1 89 89 GLN CB C 13 28.555 0.2 . 1 . . . A 274 GLN CB . 36084 1 900 . 1 1 89 89 GLN CG C 13 33.900 0.2 . 1 . . . A 274 GLN CG . 36084 1 901 . 1 1 89 89 GLN N N 15 120.471 0.1 . 1 . . . A 274 GLN N . 36084 1 902 . 1 1 89 89 GLN NE2 N 15 110.953 0.1 . 1 . . . A 274 GLN NE2 . 36084 1 903 . 1 1 90 90 ALA H H 1 7.764 0.02 . 1 . . . A 275 ALA H . 36084 1 904 . 1 1 90 90 ALA HA H 1 4.121 0.02 . 1 . . . A 275 ALA HA . 36084 1 905 . 1 1 90 90 ALA HB1 H 1 1.378 0.02 . 1 . . . A 275 ALA HB1 . 36084 1 906 . 1 1 90 90 ALA HB2 H 1 1.378 0.02 . 1 . . . A 275 ALA HB2 . 36084 1 907 . 1 1 90 90 ALA HB3 H 1 1.378 0.02 . 1 . . . A 275 ALA HB3 . 36084 1 908 . 1 1 90 90 ALA CA C 13 54.281 0.2 . 1 . . . A 275 ALA CA . 36084 1 909 . 1 1 90 90 ALA CB C 13 20.069 0.2 . 1 . . . A 275 ALA CB . 36084 1 910 . 1 1 90 90 ALA N N 15 118.425 0.1 . 1 . . . A 275 ALA N . 36084 1 911 . 1 1 91 91 GLU H H 1 7.943 0.02 . 1 . . . A 276 GLU H . 36084 1 912 . 1 1 91 91 GLU HA H 1 4.182 0.02 . 1 . . . A 276 GLU HA . 36084 1 913 . 1 1 91 91 GLU HB2 H 1 1.240 0.02 . 2 . . . A 276 GLU HB2 . 36084 1 914 . 1 1 91 91 GLU HB3 H 1 1.577 0.02 . 2 . . . A 276 GLU HB3 . 36084 1 915 . 1 1 91 91 GLU HG2 H 1 2.094 0.02 . 2 . . . A 276 GLU HG2 . 36084 1 916 . 1 1 91 91 GLU HG3 H 1 1.797 0.02 . 2 . . . A 276 GLU HG3 . 36084 1 917 . 1 1 91 91 GLU CA C 13 55.484 0.2 . 1 . . . A 276 GLU CA . 36084 1 918 . 1 1 91 91 GLU CB C 13 31.322 0.2 . 1 . . . A 276 GLU CB . 36084 1 919 . 1 1 91 91 GLU CG C 13 36.980 0.2 . 1 . . . A 276 GLU CG . 36084 1 920 . 1 1 91 91 GLU N N 15 112.962 0.1 . 1 . . . A 276 GLU N . 36084 1 921 . 1 1 92 92 GLY H H 1 8.388 0.02 . 1 . . . A 277 GLY H . 36084 1 922 . 1 1 92 92 GLY HA2 H 1 3.820 0.02 . 2 . . . A 277 GLY HA2 . 36084 1 923 . 1 1 92 92 GLY HA3 H 1 3.740 0.02 . 2 . . . A 277 GLY HA3 . 36084 1 924 . 1 1 92 92 GLY CA C 13 46.811 0.2 . 1 . . . A 277 GLY CA . 36084 1 925 . 1 1 92 92 GLY N N 15 112.366 0.1 . 1 . . . A 277 GLY N . 36084 1 926 . 1 1 93 93 ARG H H 1 9.087 0.02 . 1 . . . A 278 ARG H . 36084 1 927 . 1 1 93 93 ARG HA H 1 4.005 0.02 . 1 . . . A 278 ARG HA . 36084 1 928 . 1 1 93 93 ARG HB2 H 1 1.792 0.02 . 2 . . . A 278 ARG HB2 . 36084 1 929 . 1 1 93 93 ARG HB3 H 1 1.792 0.02 . 2 . . . A 278 ARG HB3 . 36084 1 930 . 1 1 93 93 ARG HG2 H 1 1.644 0.02 . 2 . . . A 278 ARG HG2 . 36084 1 931 . 1 1 93 93 ARG HG3 H 1 1.644 0.02 . 2 . . . A 278 ARG HG3 . 36084 1 932 . 1 1 93 93 ARG HD2 H 1 3.186 0.02 . 2 . . . A 278 ARG HD2 . 36084 1 933 . 1 1 93 93 ARG HD3 H 1 3.186 0.02 . 2 . . . A 278 ARG HD3 . 36084 1 934 . 1 1 93 93 ARG CA C 13 57.946 0.2 . 1 . . . A 278 ARG CA . 36084 1 935 . 1 1 93 93 ARG CB C 13 29.458 0.2 . 1 . . . A 278 ARG CB . 36084 1 936 . 1 1 93 93 ARG CG C 13 27.295 0.2 . 1 . . . A 278 ARG CG . 36084 1 937 . 1 1 93 93 ARG CD C 13 43.296 0.2 . 1 . . . A 278 ARG CD . 36084 1 938 . 1 1 93 93 ARG N N 15 127.224 0.1 . 1 . . . A 278 ARG N . 36084 1 939 . 1 1 94 94 ARG H H 1 7.811 0.02 . 1 . . . A 279 ARG H . 36084 1 940 . 1 1 94 94 ARG HA H 1 4.179 0.02 . 1 . . . A 279 ARG HA . 36084 1 941 . 1 1 94 94 ARG HB2 H 1 1.930 0.02 . 2 . . . A 279 ARG HB2 . 36084 1 942 . 1 1 94 94 ARG HB3 H 1 1.930 0.02 . 2 . . . A 279 ARG HB3 . 36084 1 943 . 1 1 94 94 ARG HG2 H 1 1.678 0.02 . 2 . . . A 279 ARG HG2 . 36084 1 944 . 1 1 94 94 ARG HG3 H 1 1.678 0.02 . 2 . . . A 279 ARG HG3 . 36084 1 945 . 1 1 94 94 ARG HD2 H 1 3.270 0.02 . 2 . . . A 279 ARG HD2 . 36084 1 946 . 1 1 94 94 ARG HD3 H 1 3.210 0.02 . 2 . . . A 279 ARG HD3 . 36084 1 947 . 1 1 94 94 ARG CA C 13 56.507 0.2 . 1 . . . A 279 ARG CA . 36084 1 948 . 1 1 94 94 ARG CB C 13 29.122 0.2 . 1 . . . A 279 ARG CB . 36084 1 949 . 1 1 94 94 ARG CG C 13 28.111 0.2 . 1 . . . A 279 ARG CG . 36084 1 950 . 1 1 94 94 ARG CD C 13 43.200 0.2 . 1 . . . A 279 ARG CD . 36084 1 951 . 1 1 94 94 ARG N N 15 114.428 0.1 . 1 . . . A 279 ARG N . 36084 1 952 . 1 1 95 95 ALA H H 1 7.942 0.02 . 1 . . . A 280 ALA H . 36084 1 953 . 1 1 95 95 ALA HA H 1 3.994 0.02 . 1 . . . A 280 ALA HA . 36084 1 954 . 1 1 95 95 ALA HB1 H 1 0.905 0.02 . 1 . . . A 280 ALA HB1 . 36084 1 955 . 1 1 95 95 ALA HB2 H 1 0.905 0.02 . 1 . . . A 280 ALA HB2 . 36084 1 956 . 1 1 95 95 ALA HB3 H 1 0.905 0.02 . 1 . . . A 280 ALA HB3 . 36084 1 957 . 1 1 95 95 ALA CA C 13 50.780 0.2 . 1 . . . A 280 ALA CA . 36084 1 958 . 1 1 95 95 ALA CB C 13 17.479 0.2 . 1 . . . A 280 ALA CB . 36084 1 959 . 1 1 95 95 ALA N N 15 126.820 0.1 . 1 . . . A 280 ALA N . 36084 1 960 . 1 1 96 96 THR H H 1 7.022 0.02 . 1 . . . A 281 THR H . 36084 1 961 . 1 1 96 96 THR HA H 1 4.660 0.02 . 1 . . . A 281 THR HA . 36084 1 962 . 1 1 96 96 THR HB H 1 4.700 0.02 . 1 . . . A 281 THR HB . 36084 1 963 . 1 1 96 96 THR HG21 H 1 1.010 0.02 . 1 . . . A 281 THR HG21 . 36084 1 964 . 1 1 96 96 THR HG22 H 1 1.010 0.02 . 1 . . . A 281 THR HG22 . 36084 1 965 . 1 1 96 96 THR HG23 H 1 1.010 0.02 . 1 . . . A 281 THR HG23 . 36084 1 966 . 1 1 96 96 THR CA C 13 59.654 0.2 . 1 . . . A 281 THR CA . 36084 1 967 . 1 1 96 96 THR CB C 13 71.722 0.2 . 1 . . . A 281 THR CB . 36084 1 968 . 1 1 96 96 THR CG2 C 13 21.781 0.2 . 1 . . . A 281 THR CG2 . 36084 1 969 . 1 1 96 96 THR N N 15 111.896 0.1 . 1 . . . A 281 THR N . 36084 1 970 . 1 1 97 97 LEU H H 1 8.884 0.02 . 1 . . . A 282 LEU H . 36084 1 971 . 1 1 97 97 LEU HA H 1 3.983 0.02 . 1 . . . A 282 LEU HA . 36084 1 972 . 1 1 97 97 LEU HB2 H 1 1.553 0.02 . 2 . . . A 282 LEU HB2 . 36084 1 973 . 1 1 97 97 LEU HB3 H 1 2.119 0.02 . 2 . . . A 282 LEU HB3 . 36084 1 974 . 1 1 97 97 LEU HG H 1 1.579 0.02 . 1 . . . A 282 LEU HG . 36084 1 975 . 1 1 97 97 LEU HD11 H 1 0.815 0.02 . 2 . . . A 282 LEU HD11 . 36084 1 976 . 1 1 97 97 LEU HD12 H 1 0.815 0.02 . 2 . . . A 282 LEU HD12 . 36084 1 977 . 1 1 97 97 LEU HD13 H 1 0.815 0.02 . 2 . . . A 282 LEU HD13 . 36084 1 978 . 1 1 97 97 LEU HD21 H 1 1.010 0.02 . 2 . . . A 282 LEU HD21 . 36084 1 979 . 1 1 97 97 LEU HD22 H 1 1.010 0.02 . 2 . . . A 282 LEU HD22 . 36084 1 980 . 1 1 97 97 LEU HD23 H 1 1.010 0.02 . 2 . . . A 282 LEU HD23 . 36084 1 981 . 1 1 97 97 LEU CA C 13 57.786 0.2 . 1 . . . A 282 LEU CA . 36084 1 982 . 1 1 97 97 LEU CB C 13 43.399 0.2 . 1 . . . A 282 LEU CB . 36084 1 983 . 1 1 97 97 LEU CG C 13 26.800 0.2 . 1 . . . A 282 LEU CG . 36084 1 984 . 1 1 97 97 LEU CD1 C 13 22.900 0.2 . 1 . . . A 282 LEU CD1 . 36084 1 985 . 1 1 97 97 LEU CD2 C 13 26.100 0.2 . 1 . . . A 282 LEU CD2 . 36084 1 986 . 1 1 97 97 LEU N N 15 120.692 0.1 . 1 . . . A 282 LEU N . 36084 1 987 . 1 1 98 98 GLN H H 1 8.254 0.02 . 1 . . . A 283 GLN H . 36084 1 988 . 1 1 98 98 GLN HA H 1 2.640 0.02 . 1 . . . A 283 GLN HA . 36084 1 989 . 1 1 98 98 GLN HB2 H 1 0.868 0.02 . 2 . . . A 283 GLN HB2 . 36084 1 990 . 1 1 98 98 GLN HB3 H 1 1.369 0.02 . 2 . . . A 283 GLN HB3 . 36084 1 991 . 1 1 98 98 GLN HG2 H 1 1.339 0.02 . 2 . . . A 283 GLN HG2 . 36084 1 992 . 1 1 98 98 GLN HG3 H 1 1.635 0.02 . 2 . . . A 283 GLN HG3 . 36084 1 993 . 1 1 98 98 GLN HE21 H 1 7.381 0.02 . 2 . . . A 283 GLN HE21 . 36084 1 994 . 1 1 98 98 GLN HE22 H 1 6.644 0.02 . 2 . . . A 283 GLN HE22 . 36084 1 995 . 1 1 98 98 GLN CA C 13 59.504 0.2 . 1 . . . A 283 GLN CA . 36084 1 996 . 1 1 98 98 GLN CB C 13 28.108 0.2 . 1 . . . A 283 GLN CB . 36084 1 997 . 1 1 98 98 GLN CG C 13 31.939 0.2 . 1 . . . A 283 GLN CG . 36084 1 998 . 1 1 98 98 GLN N N 15 116.638 0.1 . 1 . . . A 283 GLN N . 36084 1 999 . 1 1 98 98 GLN NE2 N 15 110.572 0.1 . 1 . . . A 283 GLN NE2 . 36084 1 1000 . 1 1 99 99 ARG H H 1 7.115 0.02 . 1 . . . A 284 ARG H . 36084 1 1001 . 1 1 99 99 ARG HA H 1 3.892 0.02 . 1 . . . A 284 ARG HA . 36084 1 1002 . 1 1 99 99 ARG HB2 H 1 1.940 0.02 . 2 . . . A 284 ARG HB2 . 36084 1 1003 . 1 1 99 99 ARG HB3 H 1 1.880 0.02 . 2 . . . A 284 ARG HB3 . 36084 1 1004 . 1 1 99 99 ARG HG2 H 1 1.730 0.02 . 2 . . . A 284 ARG HG2 . 36084 1 1005 . 1 1 99 99 ARG HG3 H 1 1.870 0.02 . 2 . . . A 284 ARG HG3 . 36084 1 1006 . 1 1 99 99 ARG HD2 H 1 3.370 0.02 . 2 . . . A 284 ARG HD2 . 36084 1 1007 . 1 1 99 99 ARG HD3 H 1 3.510 0.02 . 2 . . . A 284 ARG HD3 . 36084 1 1008 . 1 1 99 99 ARG HE H 1 7.522 0.02 . 1 . . . A 284 ARG HE . 36084 1 1009 . 1 1 99 99 ARG CA C 13 58.775 0.2 . 1 . . . A 284 ARG CA . 36084 1 1010 . 1 1 99 99 ARG CB C 13 31.149 0.2 . 1 . . . A 284 ARG CB . 36084 1 1011 . 1 1 99 99 ARG CG C 13 26.953 0.2 . 1 . . . A 284 ARG CG . 36084 1 1012 . 1 1 99 99 ARG CD C 13 44.800 0.2 . 1 . . . A 284 ARG CD . 36084 1 1013 . 1 1 99 99 ARG N N 15 115.450 0.1 . 1 . . . A 284 ARG N . 36084 1 1014 . 1 1 99 99 ARG NE N 15 83.243 0.1 . 1 . . . A 284 ARG NE . 36084 1 1015 . 1 1 100 100 LEU H H 1 7.505 0.02 . 1 . . . A 285 LEU H . 36084 1 1016 . 1 1 100 100 LEU HA H 1 3.948 0.02 . 1 . . . A 285 LEU HA . 36084 1 1017 . 1 1 100 100 LEU HB2 H 1 1.918 0.02 . 2 . . . A 285 LEU HB2 . 36084 1 1018 . 1 1 100 100 LEU HB3 H 1 1.096 0.02 . 2 . . . A 285 LEU HB3 . 36084 1 1019 . 1 1 100 100 LEU HG H 1 1.334 0.02 . 1 . . . A 285 LEU HG . 36084 1 1020 . 1 1 100 100 LEU HD11 H 1 0.584 0.02 . 2 . . . A 285 LEU HD11 . 36084 1 1021 . 1 1 100 100 LEU HD12 H 1 0.584 0.02 . 2 . . . A 285 LEU HD12 . 36084 1 1022 . 1 1 100 100 LEU HD13 H 1 0.584 0.02 . 2 . . . A 285 LEU HD13 . 36084 1 1023 . 1 1 100 100 LEU HD21 H 1 0.399 0.02 . 2 . . . A 285 LEU HD21 . 36084 1 1024 . 1 1 100 100 LEU HD22 H 1 0.399 0.02 . 2 . . . A 285 LEU HD22 . 36084 1 1025 . 1 1 100 100 LEU HD23 H 1 0.399 0.02 . 2 . . . A 285 LEU HD23 . 36084 1 1026 . 1 1 100 100 LEU CA C 13 57.500 0.2 . 1 . . . A 285 LEU CA . 36084 1 1027 . 1 1 100 100 LEU CB C 13 42.600 0.2 . 1 . . . A 285 LEU CB . 36084 1 1028 . 1 1 100 100 LEU CG C 13 27.400 0.2 . 1 . . . A 285 LEU CG . 36084 1 1029 . 1 1 100 100 LEU CD1 C 13 27.100 0.2 . 1 . . . A 285 LEU CD1 . 36084 1 1030 . 1 1 100 100 LEU CD2 C 13 22.460 0.2 . 1 . . . A 285 LEU CD2 . 36084 1 1031 . 1 1 100 100 LEU N N 15 118.394 0.1 . 1 . . . A 285 LEU N . 36084 1 1032 . 1 1 101 101 VAL H H 1 8.987 0.02 . 1 . . . A 286 VAL H . 36084 1 1033 . 1 1 101 101 VAL HA H 1 3.410 0.02 . 1 . . . A 286 VAL HA . 36084 1 1034 . 1 1 101 101 VAL HB H 1 2.067 0.02 . 1 . . . A 286 VAL HB . 36084 1 1035 . 1 1 101 101 VAL HG11 H 1 0.962 0.02 . 2 . . . A 286 VAL HG11 . 36084 1 1036 . 1 1 101 101 VAL HG12 H 1 0.962 0.02 . 2 . . . A 286 VAL HG12 . 36084 1 1037 . 1 1 101 101 VAL HG13 H 1 0.962 0.02 . 2 . . . A 286 VAL HG13 . 36084 1 1038 . 1 1 101 101 VAL HG21 H 1 0.940 0.02 . 2 . . . A 286 VAL HG21 . 36084 1 1039 . 1 1 101 101 VAL HG22 H 1 0.940 0.02 . 2 . . . A 286 VAL HG22 . 36084 1 1040 . 1 1 101 101 VAL HG23 H 1 0.940 0.02 . 2 . . . A 286 VAL HG23 . 36084 1 1041 . 1 1 101 101 VAL CA C 13 67.600 0.2 . 1 . . . A 286 VAL CA . 36084 1 1042 . 1 1 101 101 VAL CB C 13 30.965 0.2 . 1 . . . A 286 VAL CB . 36084 1 1043 . 1 1 101 101 VAL CG1 C 13 22.100 0.2 . 1 . . . A 286 VAL CG1 . 36084 1 1044 . 1 1 101 101 VAL CG2 C 13 23.700 0.2 . 1 . . . A 286 VAL CG2 . 36084 1 1045 . 1 1 101 101 VAL N N 15 118.755 0.1 . 1 . . . A 286 VAL N . 36084 1 1046 . 1 1 102 102 GLU H H 1 8.350 0.02 . 1 . . . A 287 GLU H . 36084 1 1047 . 1 1 102 102 GLU HA H 1 4.126 0.02 . 1 . . . A 287 GLU HA . 36084 1 1048 . 1 1 102 102 GLU HB2 H 1 1.990 0.02 . 2 . . . A 287 GLU HB2 . 36084 1 1049 . 1 1 102 102 GLU HB3 H 1 2.060 0.02 . 2 . . . A 287 GLU HB3 . 36084 1 1050 . 1 1 102 102 GLU HG2 H 1 2.489 0.02 . 2 . . . A 287 GLU HG2 . 36084 1 1051 . 1 1 102 102 GLU HG3 H 1 2.312 0.02 . 2 . . . A 287 GLU HG3 . 36084 1 1052 . 1 1 102 102 GLU CA C 13 59.775 0.2 . 1 . . . A 287 GLU CA . 36084 1 1053 . 1 1 102 102 GLU CB C 13 28.541 0.2 . 1 . . . A 287 GLU CB . 36084 1 1054 . 1 1 102 102 GLU CG C 13 36.018 0.2 . 1 . . . A 287 GLU CG . 36084 1 1055 . 1 1 102 102 GLU N N 15 119.385 0.1 . 1 . . . A 287 GLU N . 36084 1 1056 . 1 1 103 103 ALA H H 1 7.200 0.02 . 1 . . . A 288 ALA H . 36084 1 1057 . 1 1 103 103 ALA HA H 1 4.119 0.02 . 1 . . . A 288 ALA HA . 36084 1 1058 . 1 1 103 103 ALA HB1 H 1 1.398 0.02 . 1 . . . A 288 ALA HB1 . 36084 1 1059 . 1 1 103 103 ALA HB2 H 1 1.398 0.02 . 1 . . . A 288 ALA HB2 . 36084 1 1060 . 1 1 103 103 ALA HB3 H 1 1.398 0.02 . 1 . . . A 288 ALA HB3 . 36084 1 1061 . 1 1 103 103 ALA CA C 13 54.923 0.2 . 1 . . . A 288 ALA CA . 36084 1 1062 . 1 1 103 103 ALA CB C 13 18.652 0.2 . 1 . . . A 288 ALA CB . 36084 1 1063 . 1 1 103 103 ALA N N 15 120.874 0.1 . 1 . . . A 288 ALA N . 36084 1 1064 . 1 1 104 104 LEU H H 1 8.520 0.02 . 1 . . . A 289 LEU H . 36084 1 1065 . 1 1 104 104 LEU HA H 1 4.035 0.02 . 1 . . . A 289 LEU HA . 36084 1 1066 . 1 1 104 104 LEU HB2 H 1 2.164 0.02 . 2 . . . A 289 LEU HB2 . 36084 1 1067 . 1 1 104 104 LEU HB3 H 1 1.634 0.02 . 2 . . . A 289 LEU HB3 . 36084 1 1068 . 1 1 104 104 LEU HG H 1 2.086 0.02 . 1 . . . A 289 LEU HG . 36084 1 1069 . 1 1 104 104 LEU HD11 H 1 1.066 0.02 . 2 . . . A 289 LEU HD11 . 36084 1 1070 . 1 1 104 104 LEU HD12 H 1 1.066 0.02 . 2 . . . A 289 LEU HD12 . 36084 1 1071 . 1 1 104 104 LEU HD13 H 1 1.066 0.02 . 2 . . . A 289 LEU HD13 . 36084 1 1072 . 1 1 104 104 LEU HD21 H 1 0.811 0.02 . 2 . . . A 289 LEU HD21 . 36084 1 1073 . 1 1 104 104 LEU HD22 H 1 0.811 0.02 . 2 . . . A 289 LEU HD22 . 36084 1 1074 . 1 1 104 104 LEU HD23 H 1 0.811 0.02 . 2 . . . A 289 LEU HD23 . 36084 1 1075 . 1 1 104 104 LEU CA C 13 58.376 0.2 . 1 . . . A 289 LEU CA . 36084 1 1076 . 1 1 104 104 LEU CB C 13 39.947 0.2 . 1 . . . A 289 LEU CB . 36084 1 1077 . 1 1 104 104 LEU CG C 13 26.226 0.2 . 1 . . . A 289 LEU CG . 36084 1 1078 . 1 1 104 104 LEU CD1 C 13 24.350 0.2 . 1 . . . A 289 LEU CD1 . 36084 1 1079 . 1 1 104 104 LEU CD2 C 13 26.700 0.2 . 1 . . . A 289 LEU CD2 . 36084 1 1080 . 1 1 104 104 LEU N N 15 119.592 0.1 . 1 . . . A 289 LEU N . 36084 1 1081 . 1 1 105 105 GLU H H 1 8.939 0.02 . 1 . . . A 290 GLU H . 36084 1 1082 . 1 1 105 105 GLU HA H 1 3.995 0.02 . 1 . . . A 290 GLU HA . 36084 1 1083 . 1 1 105 105 GLU HB2 H 1 2.220 0.02 . 2 . . . A 290 GLU HB2 . 36084 1 1084 . 1 1 105 105 GLU HB3 H 1 2.350 0.02 . 2 . . . A 290 GLU HB3 . 36084 1 1085 . 1 1 105 105 GLU HG2 H 1 2.475 0.02 . 2 . . . A 290 GLU HG2 . 36084 1 1086 . 1 1 105 105 GLU HG3 H 1 2.673 0.02 . 2 . . . A 290 GLU HG3 . 36084 1 1087 . 1 1 105 105 GLU CA C 13 59.637 0.2 . 1 . . . A 290 GLU CA . 36084 1 1088 . 1 1 105 105 GLU CB C 13 29.068 0.2 . 1 . . . A 290 GLU CB . 36084 1 1089 . 1 1 105 105 GLU CG C 13 34.581 0.2 . 1 . . . A 290 GLU CG . 36084 1 1090 . 1 1 105 105 GLU N N 15 121.242 0.1 . 1 . . . A 290 GLU N . 36084 1 1091 . 1 1 106 106 GLU H H 1 7.946 0.02 . 1 . . . A 291 GLU H . 36084 1 1092 . 1 1 106 106 GLU HA H 1 4.170 0.02 . 1 . . . A 291 GLU HA . 36084 1 1093 . 1 1 106 106 GLU HB2 H 1 2.160 0.02 . 2 . . . A 291 GLU HB2 . 36084 1 1094 . 1 1 106 106 GLU HB3 H 1 2.082 0.02 . 2 . . . A 291 GLU HB3 . 36084 1 1095 . 1 1 106 106 GLU HG2 H 1 2.462 0.02 . 2 . . . A 291 GLU HG2 . 36084 1 1096 . 1 1 106 106 GLU HG3 H 1 2.341 0.02 . 2 . . . A 291 GLU HG3 . 36084 1 1097 . 1 1 106 106 GLU CA C 13 58.250 0.2 . 1 . . . A 291 GLU CA . 36084 1 1098 . 1 1 106 106 GLU CB C 13 29.569 0.2 . 1 . . . A 291 GLU CB . 36084 1 1099 . 1 1 106 106 GLU CG C 13 35.910 0.2 . 1 . . . A 291 GLU CG . 36084 1 1100 . 1 1 106 106 GLU N N 15 118.693 0.1 . 1 . . . A 291 GLU N . 36084 1 1101 . 1 1 107 107 ASN H H 1 7.127 0.02 . 1 . . . A 292 ASN H . 36084 1 1102 . 1 1 107 107 ASN HA H 1 4.893 0.02 . 1 . . . A 292 ASN HA . 36084 1 1103 . 1 1 107 107 ASN HB2 H 1 2.833 0.02 . 2 . . . A 292 ASN HB2 . 36084 1 1104 . 1 1 107 107 ASN HB3 H 1 2.253 0.02 . 2 . . . A 292 ASN HB3 . 36084 1 1105 . 1 1 107 107 ASN CA C 13 53.649 0.2 . 1 . . . A 292 ASN CA . 36084 1 1106 . 1 1 107 107 ASN CB C 13 40.832 0.2 . 1 . . . A 292 ASN CB . 36084 1 1107 . 1 1 107 107 ASN N N 15 114.706 0.1 . 1 . . . A 292 ASN N . 36084 1 1108 . 1 1 108 108 GLU H H 1 7.926 0.02 . 1 . . . A 293 GLU H . 36084 1 1109 . 1 1 108 108 GLU HA H 1 4.062 0.02 . 1 . . . A 293 GLU HA . 36084 1 1110 . 1 1 108 108 GLU HB2 H 1 2.253 0.02 . 2 . . . A 293 GLU HB2 . 36084 1 1111 . 1 1 108 108 GLU HB3 H 1 2.372 0.02 . 2 . . . A 293 GLU HB3 . 36084 1 1112 . 1 1 108 108 GLU HG2 H 1 2.303 0.02 . 2 . . . A 293 GLU HG2 . 36084 1 1113 . 1 1 108 108 GLU HG3 H 1 2.303 0.02 . 2 . . . A 293 GLU HG3 . 36084 1 1114 . 1 1 108 108 GLU CA C 13 57.662 0.2 . 1 . . . A 293 GLU CA . 36084 1 1115 . 1 1 108 108 GLU CB C 13 25.945 0.2 . 1 . . . A 293 GLU CB . 36084 1 1116 . 1 1 108 108 GLU CG C 13 35.475 0.2 . 1 . . . A 293 GLU CG . 36084 1 1117 . 1 1 108 108 GLU N N 15 112.280 0.1 . 1 . . . A 293 GLU N . 36084 1 1118 . 1 1 109 109 LEU H H 1 8.000 0.02 . 1 . . . A 294 LEU H . 36084 1 1119 . 1 1 109 109 LEU HA H 1 4.955 0.02 . 1 . . . A 294 LEU HA . 36084 1 1120 . 1 1 109 109 LEU HB2 H 1 1.800 0.02 . 2 . . . A 294 LEU HB2 . 36084 1 1121 . 1 1 109 109 LEU HB3 H 1 1.650 0.02 . 2 . . . A 294 LEU HB3 . 36084 1 1122 . 1 1 109 109 LEU HG H 1 1.638 0.02 . 1 . . . A 294 LEU HG . 36084 1 1123 . 1 1 109 109 LEU HD11 H 1 0.817 0.02 . 2 . . . A 294 LEU HD11 . 36084 1 1124 . 1 1 109 109 LEU HD12 H 1 0.817 0.02 . 2 . . . A 294 LEU HD12 . 36084 1 1125 . 1 1 109 109 LEU HD13 H 1 0.817 0.02 . 2 . . . A 294 LEU HD13 . 36084 1 1126 . 1 1 109 109 LEU HD21 H 1 0.936 0.02 . 2 . . . A 294 LEU HD21 . 36084 1 1127 . 1 1 109 109 LEU HD22 H 1 0.936 0.02 . 2 . . . A 294 LEU HD22 . 36084 1 1128 . 1 1 109 109 LEU HD23 H 1 0.936 0.02 . 2 . . . A 294 LEU HD23 . 36084 1 1129 . 1 1 109 109 LEU CA C 13 53.298 0.2 . 1 . . . A 294 LEU CA . 36084 1 1130 . 1 1 109 109 LEU CB C 13 41.140 0.2 . 1 . . . A 294 LEU CB . 36084 1 1131 . 1 1 109 109 LEU CG C 13 25.700 0.2 . 1 . . . A 294 LEU CG . 36084 1 1132 . 1 1 109 109 LEU CD1 C 13 28.000 0.2 . 1 . . . A 294 LEU CD1 . 36084 1 1133 . 1 1 109 109 LEU CD2 C 13 23.500 0.2 . 1 . . . A 294 LEU CD2 . 36084 1 1134 . 1 1 109 109 LEU N N 15 120.925 0.1 . 1 . . . A 294 LEU N . 36084 1 1135 . 1 1 110 110 THR H H 1 7.645 0.02 . 1 . . . A 295 THR H . 36084 1 1136 . 1 1 110 110 THR HA H 1 3.774 0.02 . 1 . . . A 295 THR HA . 36084 1 1137 . 1 1 110 110 THR HB H 1 4.140 0.02 . 1 . . . A 295 THR HB . 36084 1 1138 . 1 1 110 110 THR HG21 H 1 1.293 0.02 . 1 . . . A 295 THR HG21 . 36084 1 1139 . 1 1 110 110 THR HG22 H 1 1.293 0.02 . 1 . . . A 295 THR HG22 . 36084 1 1140 . 1 1 110 110 THR HG23 H 1 1.293 0.02 . 1 . . . A 295 THR HG23 . 36084 1 1141 . 1 1 110 110 THR CA C 13 67.057 0.2 . 1 . . . A 295 THR CA . 36084 1 1142 . 1 1 110 110 THR CB C 13 68.330 0.2 . 1 . . . A 295 THR CB . 36084 1 1143 . 1 1 110 110 THR CG2 C 13 22.700 0.2 . 1 . . . A 295 THR CG2 . 36084 1 1144 . 1 1 110 110 THR N N 15 116.508 0.1 . 1 . . . A 295 THR N . 36084 1 1145 . 1 1 111 111 SER H H 1 8.728 0.02 . 1 . . . A 296 SER H . 36084 1 1146 . 1 1 111 111 SER HA H 1 4.202 0.02 . 1 . . . A 296 SER HA . 36084 1 1147 . 1 1 111 111 SER HB2 H 1 3.918 0.02 . 2 . . . A 296 SER HB2 . 36084 1 1148 . 1 1 111 111 SER HB3 H 1 3.918 0.02 . 2 . . . A 296 SER HB3 . 36084 1 1149 . 1 1 111 111 SER CA C 13 61.681 0.2 . 1 . . . A 296 SER CA . 36084 1 1150 . 1 1 111 111 SER CB C 13 61.743 0.2 . 1 . . . A 296 SER CB . 36084 1 1151 . 1 1 111 111 SER N N 15 117.060 0.1 . 1 . . . A 296 SER N . 36084 1 1152 . 1 1 112 112 LEU H H 1 7.442 0.02 . 1 . . . A 297 LEU H . 36084 1 1153 . 1 1 112 112 LEU HA H 1 4.305 0.02 . 1 . . . A 297 LEU HA . 36084 1 1154 . 1 1 112 112 LEU HB2 H 1 1.913 0.02 . 2 . . . A 297 LEU HB2 . 36084 1 1155 . 1 1 112 112 LEU HB3 H 1 1.665 0.02 . 2 . . . A 297 LEU HB3 . 36084 1 1156 . 1 1 112 112 LEU HG H 1 1.684 0.02 . 1 . . . A 297 LEU HG . 36084 1 1157 . 1 1 112 112 LEU HD11 H 1 0.944 0.02 . 2 . . . A 297 LEU HD11 . 36084 1 1158 . 1 1 112 112 LEU HD12 H 1 0.944 0.02 . 2 . . . A 297 LEU HD12 . 36084 1 1159 . 1 1 112 112 LEU HD13 H 1 0.944 0.02 . 2 . . . A 297 LEU HD13 . 36084 1 1160 . 1 1 112 112 LEU HD21 H 1 0.998 0.02 . 2 . . . A 297 LEU HD21 . 36084 1 1161 . 1 1 112 112 LEU HD22 H 1 0.998 0.02 . 2 . . . A 297 LEU HD22 . 36084 1 1162 . 1 1 112 112 LEU HD23 H 1 0.998 0.02 . 2 . . . A 297 LEU HD23 . 36084 1 1163 . 1 1 112 112 LEU CA C 13 57.282 0.2 . 1 . . . A 297 LEU CA . 36084 1 1164 . 1 1 112 112 LEU CB C 13 41.472 0.2 . 1 . . . A 297 LEU CB . 36084 1 1165 . 1 1 112 112 LEU CG C 13 28.000 0.2 . 1 . . . A 297 LEU CG . 36084 1 1166 . 1 1 112 112 LEU CD1 C 13 25.600 0.2 . 1 . . . A 297 LEU CD1 . 36084 1 1167 . 1 1 112 112 LEU CD2 C 13 23.800 0.2 . 1 . . . A 297 LEU CD2 . 36084 1 1168 . 1 1 112 112 LEU N N 15 124.429 0.1 . 1 . . . A 297 LEU N . 36084 1 1169 . 1 1 113 113 ALA H H 1 7.776 0.02 . 1 . . . A 298 ALA H . 36084 1 1170 . 1 1 113 113 ALA HA H 1 3.732 0.02 . 1 . . . A 298 ALA HA . 36084 1 1171 . 1 1 113 113 ALA HB1 H 1 1.444 0.02 . 1 . . . A 298 ALA HB1 . 36084 1 1172 . 1 1 113 113 ALA HB2 H 1 1.444 0.02 . 1 . . . A 298 ALA HB2 . 36084 1 1173 . 1 1 113 113 ALA HB3 H 1 1.444 0.02 . 1 . . . A 298 ALA HB3 . 36084 1 1174 . 1 1 113 113 ALA CA C 13 55.704 0.2 . 1 . . . A 298 ALA CA . 36084 1 1175 . 1 1 113 113 ALA CB C 13 18.123 0.2 . 1 . . . A 298 ALA CB . 36084 1 1176 . 1 1 113 113 ALA N N 15 120.775 0.1 . 1 . . . A 298 ALA N . 36084 1 1177 . 1 1 114 114 GLU H H 1 8.322 0.02 . 1 . . . A 299 GLU H . 36084 1 1178 . 1 1 114 114 GLU HA H 1 3.647 0.02 . 1 . . . A 299 GLU HA . 36084 1 1179 . 1 1 114 114 GLU HB2 H 1 2.347 0.02 . 2 . . . A 299 GLU HB2 . 36084 1 1180 . 1 1 114 114 GLU HB3 H 1 2.059 0.02 . 2 . . . A 299 GLU HB3 . 36084 1 1181 . 1 1 114 114 GLU HG2 H 1 2.734 0.02 . 2 . . . A 299 GLU HG2 . 36084 1 1182 . 1 1 114 114 GLU HG3 H 1 2.436 0.02 . 2 . . . A 299 GLU HG3 . 36084 1 1183 . 1 1 114 114 GLU CA C 13 59.751 0.2 . 1 . . . A 299 GLU CA . 36084 1 1184 . 1 1 114 114 GLU CB C 13 27.745 0.2 . 1 . . . A 299 GLU CB . 36084 1 1185 . 1 1 114 114 GLU CG C 13 34.464 0.2 . 1 . . . A 299 GLU CG . 36084 1 1186 . 1 1 114 114 GLU N N 15 114.971 0.1 . 1 . . . A 299 GLU N . 36084 1 1187 . 1 1 115 115 ASP H H 1 7.858 0.02 . 1 . . . A 300 ASP H . 36084 1 1188 . 1 1 115 115 ASP HA H 1 4.414 0.02 . 1 . . . A 300 ASP HA . 36084 1 1189 . 1 1 115 115 ASP HB2 H 1 2.960 0.02 . 2 . . . A 300 ASP HB2 . 36084 1 1190 . 1 1 115 115 ASP HB3 H 1 2.762 0.02 . 2 . . . A 300 ASP HB3 . 36084 1 1191 . 1 1 115 115 ASP CA C 13 56.600 0.2 . 1 . . . A 300 ASP CA . 36084 1 1192 . 1 1 115 115 ASP CB C 13 39.534 0.2 . 1 . . . A 300 ASP CB . 36084 1 1193 . 1 1 115 115 ASP N N 15 119.631 0.1 . 1 . . . A 300 ASP N . 36084 1 1194 . 1 1 116 116 LEU H H 1 8.086 0.02 . 1 . . . A 301 LEU H . 36084 1 1195 . 1 1 116 116 LEU HA H 1 4.023 0.02 . 1 . . . A 301 LEU HA . 36084 1 1196 . 1 1 116 116 LEU HB2 H 1 1.846 0.02 . 2 . . . A 301 LEU HB2 . 36084 1 1197 . 1 1 116 116 LEU HB3 H 1 1.305 0.02 . 2 . . . A 301 LEU HB3 . 36084 1 1198 . 1 1 116 116 LEU HG H 1 1.814 0.02 . 1 . . . A 301 LEU HG . 36084 1 1199 . 1 1 116 116 LEU HD11 H 1 0.746 0.02 . 2 . . . A 301 LEU HD11 . 36084 1 1200 . 1 1 116 116 LEU HD12 H 1 0.746 0.02 . 2 . . . A 301 LEU HD12 . 36084 1 1201 . 1 1 116 116 LEU HD13 H 1 0.746 0.02 . 2 . . . A 301 LEU HD13 . 36084 1 1202 . 1 1 116 116 LEU HD21 H 1 0.898 0.02 . 2 . . . A 301 LEU HD21 . 36084 1 1203 . 1 1 116 116 LEU HD22 H 1 0.898 0.02 . 2 . . . A 301 LEU HD22 . 36084 1 1204 . 1 1 116 116 LEU HD23 H 1 0.898 0.02 . 2 . . . A 301 LEU HD23 . 36084 1 1205 . 1 1 116 116 LEU CA C 13 57.563 0.2 . 1 . . . A 301 LEU CA . 36084 1 1206 . 1 1 116 116 LEU CB C 13 42.087 0.2 . 1 . . . A 301 LEU CB . 36084 1 1207 . 1 1 116 116 LEU CG C 13 27.133 0.2 . 1 . . . A 301 LEU CG . 36084 1 1208 . 1 1 116 116 LEU CD1 C 13 27.100 0.2 . 1 . . . A 301 LEU CD1 . 36084 1 1209 . 1 1 116 116 LEU CD2 C 13 24.600 0.2 . 1 . . . A 301 LEU CD2 . 36084 1 1210 . 1 1 116 116 LEU N N 15 119.662 0.1 . 1 . . . A 301 LEU N . 36084 1 1211 . 1 1 117 117 LEU H H 1 7.712 0.02 . 1 . . . A 302 LEU H . 36084 1 1212 . 1 1 117 117 LEU HA H 1 4.056 0.02 . 1 . . . A 302 LEU HA . 36084 1 1213 . 1 1 117 117 LEU HB2 H 1 1.591 0.02 . 2 . . . A 302 LEU HB2 . 36084 1 1214 . 1 1 117 117 LEU HB3 H 1 1.440 0.02 . 2 . . . A 302 LEU HB3 . 36084 1 1215 . 1 1 117 117 LEU HG H 1 1.640 0.02 . 1 . . . A 302 LEU HG . 36084 1 1216 . 1 1 117 117 LEU HD11 H 1 0.224 0.02 . 2 . . . A 302 LEU HD11 . 36084 1 1217 . 1 1 117 117 LEU HD12 H 1 0.224 0.02 . 2 . . . A 302 LEU HD12 . 36084 1 1218 . 1 1 117 117 LEU HD13 H 1 0.224 0.02 . 2 . . . A 302 LEU HD13 . 36084 1 1219 . 1 1 117 117 LEU HD21 H 1 0.733 0.02 . 2 . . . A 302 LEU HD21 . 36084 1 1220 . 1 1 117 117 LEU HD22 H 1 0.733 0.02 . 2 . . . A 302 LEU HD22 . 36084 1 1221 . 1 1 117 117 LEU HD23 H 1 0.733 0.02 . 2 . . . A 302 LEU HD23 . 36084 1 1222 . 1 1 117 117 LEU CA C 13 55.731 0.2 . 1 . . . A 302 LEU CA . 36084 1 1223 . 1 1 117 117 LEU CB C 13 42.276 0.2 . 1 . . . A 302 LEU CB . 36084 1 1224 . 1 1 117 117 LEU CG C 13 26.565 0.2 . 1 . . . A 302 LEU CG . 36084 1 1225 . 1 1 117 117 LEU CD1 C 13 25.446 0.2 . 1 . . . A 302 LEU CD1 . 36084 1 1226 . 1 1 117 117 LEU CD2 C 13 24.197 0.2 . 1 . . . A 302 LEU CD2 . 36084 1 1227 . 1 1 117 117 LEU N N 15 116.388 0.1 . 1 . . . A 302 LEU N . 36084 1 1228 . 1 1 118 118 GLY H H 1 7.789 0.02 . 1 . . . A 303 GLY H . 36084 1 1229 . 1 1 118 118 GLY HA2 H 1 3.960 0.02 . 2 . . . A 303 GLY HA2 . 36084 1 1230 . 1 1 118 118 GLY HA3 H 1 3.960 0.02 . 2 . . . A 303 GLY HA3 . 36084 1 1231 . 1 1 118 118 GLY CA C 13 45.973 0.2 . 1 . . . A 303 GLY CA . 36084 1 1232 . 1 1 118 118 GLY N N 15 107.413 0.1 . 1 . . . A 303 GLY N . 36084 1 1233 . 1 1 119 119 LEU H H 1 7.793 0.02 . 1 . . . A 304 LEU H . 36084 1 1234 . 1 1 119 119 LEU HA H 1 4.351 0.02 . 1 . . . A 304 LEU HA . 36084 1 1235 . 1 1 119 119 LEU HB2 H 1 1.582 0.02 . 2 . . . A 304 LEU HB2 . 36084 1 1236 . 1 1 119 119 LEU HB3 H 1 1.582 0.02 . 2 . . . A 304 LEU HB3 . 36084 1 1237 . 1 1 119 119 LEU HG H 1 1.611 0.02 . 1 . . . A 304 LEU HG . 36084 1 1238 . 1 1 119 119 LEU HD11 H 1 0.905 0.02 . 2 . . . A 304 LEU HD11 . 36084 1 1239 . 1 1 119 119 LEU HD12 H 1 0.905 0.02 . 2 . . . A 304 LEU HD12 . 36084 1 1240 . 1 1 119 119 LEU HD13 H 1 0.905 0.02 . 2 . . . A 304 LEU HD13 . 36084 1 1241 . 1 1 119 119 LEU HD21 H 1 0.805 0.02 . 2 . . . A 304 LEU HD21 . 36084 1 1242 . 1 1 119 119 LEU HD22 H 1 0.805 0.02 . 2 . . . A 304 LEU HD22 . 36084 1 1243 . 1 1 119 119 LEU HD23 H 1 0.805 0.02 . 2 . . . A 304 LEU HD23 . 36084 1 1244 . 1 1 119 119 LEU CA C 13 54.916 0.2 . 1 . . . A 304 LEU CA . 36084 1 1245 . 1 1 119 119 LEU CB C 13 42.434 0.2 . 1 . . . A 304 LEU CB . 36084 1 1246 . 1 1 119 119 LEU CG C 13 26.578 0.2 . 1 . . . A 304 LEU CG . 36084 1 1247 . 1 1 119 119 LEU CD1 C 13 25.965 0.2 . 1 . . . A 304 LEU CD1 . 36084 1 1248 . 1 1 119 119 LEU CD2 C 13 22.600 0.2 . 1 . . . A 304 LEU CD2 . 36084 1 1249 . 1 1 119 119 LEU N N 15 119.480 0.1 . 1 . . . A 304 LEU N . 36084 1 1250 . 1 1 120 120 THR H H 1 7.787 0.02 . 1 . . . A 305 THR H . 36084 1 1251 . 1 1 120 120 THR HA H 1 4.261 0.02 . 1 . . . A 305 THR HA . 36084 1 1252 . 1 1 120 120 THR HB H 1 4.141 0.02 . 1 . . . A 305 THR HB . 36084 1 1253 . 1 1 120 120 THR HG21 H 1 1.104 0.02 . 1 . . . A 305 THR HG21 . 36084 1 1254 . 1 1 120 120 THR HG22 H 1 1.104 0.02 . 1 . . . A 305 THR HG22 . 36084 1 1255 . 1 1 120 120 THR HG23 H 1 1.104 0.02 . 1 . . . A 305 THR HG23 . 36084 1 1256 . 1 1 120 120 THR CA C 13 61.378 0.2 . 1 . . . A 305 THR CA . 36084 1 1257 . 1 1 120 120 THR CB C 13 69.779 0.2 . 1 . . . A 305 THR CB . 36084 1 1258 . 1 1 120 120 THR CG2 C 13 21.748 0.2 . 1 . . . A 305 THR CG2 . 36084 1 1259 . 1 1 120 120 THR N N 15 112.514 0.1 . 1 . . . A 305 THR N . 36084 1 1260 . 1 1 121 121 ASP H H 1 8.292 0.02 . 1 . . . A 306 ASP H . 36084 1 1261 . 1 1 121 121 ASP HA H 1 4.878 0.02 . 1 . . . A 306 ASP HA . 36084 1 1262 . 1 1 121 121 ASP HB2 H 1 2.734 0.02 . 2 . . . A 306 ASP HB2 . 36084 1 1263 . 1 1 121 121 ASP HB3 H 1 2.614 0.02 . 2 . . . A 306 ASP HB3 . 36084 1 1264 . 1 1 121 121 ASP CA C 13 51.745 0.2 . 1 . . . A 306 ASP CA . 36084 1 1265 . 1 1 121 121 ASP CB C 13 40.910 0.2 . 1 . . . A 306 ASP CB . 36084 1 1266 . 1 1 121 121 ASP N N 15 123.042 0.1 . 1 . . . A 306 ASP N . 36084 1 1267 . 1 1 122 122 PRO HA H 1 4.378 0.02 . 1 . . . A 307 PRO HA . 36084 1 1268 . 1 1 122 122 PRO HB2 H 1 1.929 0.02 . 2 . . . A 307 PRO HB2 . 36084 1 1269 . 1 1 122 122 PRO HB3 H 1 2.254 0.02 . 2 . . . A 307 PRO HB3 . 36084 1 1270 . 1 1 122 122 PRO HG2 H 1 1.957 0.02 . 2 . . . A 307 PRO HG2 . 36084 1 1271 . 1 1 122 122 PRO HG3 H 1 1.957 0.02 . 2 . . . A 307 PRO HG3 . 36084 1 1272 . 1 1 122 122 PRO HD2 H 1 3.802 0.02 . 2 . . . A 307 PRO HD2 . 36084 1 1273 . 1 1 122 122 PRO HD3 H 1 3.802 0.02 . 2 . . . A 307 PRO HD3 . 36084 1 1274 . 1 1 122 122 PRO CA C 13 63.970 0.2 . 1 . . . A 307 PRO CA . 36084 1 1275 . 1 1 122 122 PRO CB C 13 32.004 0.2 . 1 . . . A 307 PRO CB . 36084 1 1276 . 1 1 122 122 PRO CG C 13 27.098 0.2 . 1 . . . A 307 PRO CG . 36084 1 1277 . 1 1 122 122 PRO CD C 13 50.819 0.2 . 1 . . . A 307 PRO CD . 36084 1 1278 . 1 1 123 123 ASN H H 1 8.446 0.02 . 1 . . . A 308 ASN H . 36084 1 1279 . 1 1 123 123 ASN HA H 1 4.721 0.02 . 1 . . . A 308 ASN HA . 36084 1 1280 . 1 1 123 123 ASN HB2 H 1 2.864 0.02 . 2 . . . A 308 ASN HB2 . 36084 1 1281 . 1 1 123 123 ASN HB3 H 1 2.746 0.02 . 2 . . . A 308 ASN HB3 . 36084 1 1282 . 1 1 123 123 ASN HD21 H 1 7.687 0.02 . 2 . . . A 308 ASN HD21 . 36084 1 1283 . 1 1 123 123 ASN HD22 H 1 6.898 0.02 . 2 . . . A 308 ASN HD22 . 36084 1 1284 . 1 1 123 123 ASN CA C 13 53.327 0.2 . 1 . . . A 308 ASN CA . 36084 1 1285 . 1 1 123 123 ASN CB C 13 38.884 0.2 . 1 . . . A 308 ASN CB . 36084 1 1286 . 1 1 123 123 ASN N N 15 117.127 0.1 . 1 . . . A 308 ASN N . 36084 1 1287 . 1 1 123 123 ASN ND2 N 15 113.644 0.1 . 1 . . . A 308 ASN ND2 . 36084 1 1288 . 1 1 124 124 GLY H H 1 8.087 0.02 . 1 . . . A 309 GLY H . 36084 1 1289 . 1 1 124 124 GLY HA2 H 1 3.931 0.02 . 2 . . . A 309 GLY HA2 . 36084 1 1290 . 1 1 124 124 GLY HA3 H 1 3.931 0.02 . 2 . . . A 309 GLY HA3 . 36084 1 1291 . 1 1 124 124 GLY CA C 13 45.900 0.2 . 1 . . . A 309 GLY CA . 36084 1 1292 . 1 1 124 124 GLY N N 15 108.674 0.1 . 1 . . . A 309 GLY N . 36084 1 1293 . 1 1 125 125 GLY H H 1 8.226 0.02 . 1 . . . A 310 GLY H . 36084 1 1294 . 1 1 125 125 GLY HA2 H 1 3.930 0.02 . 2 . . . A 310 GLY HA2 . 36084 1 1295 . 1 1 125 125 GLY HA3 H 1 3.930 0.02 . 2 . . . A 310 GLY HA3 . 36084 1 1296 . 1 1 125 125 GLY CA C 13 45.200 0.2 . 1 . . . A 310 GLY CA . 36084 1 1297 . 1 1 125 125 GLY N N 15 108.447 0.1 . 1 . . . A 310 GLY N . 36084 1 1298 . 1 1 126 126 LEU H H 1 7.985 0.02 . 1 . . . A 311 LEU H . 36084 1 1299 . 1 1 126 126 LEU HA H 1 4.338 0.02 . 1 . . . A 311 LEU HA . 36084 1 1300 . 1 1 126 126 LEU HB2 H 1 1.587 0.02 . 2 . . . A 311 LEU HB2 . 36084 1 1301 . 1 1 126 126 LEU HB3 H 1 1.587 0.02 . 2 . . . A 311 LEU HB3 . 36084 1 1302 . 1 1 126 126 LEU HD11 H 1 0.850 0.02 . 2 . . . A 311 LEU HD11 . 36084 1 1303 . 1 1 126 126 LEU HD12 H 1 0.850 0.02 . 2 . . . A 311 LEU HD12 . 36084 1 1304 . 1 1 126 126 LEU HD13 H 1 0.850 0.02 . 2 . . . A 311 LEU HD13 . 36084 1 1305 . 1 1 126 126 LEU HD21 H 1 0.830 0.02 . 2 . . . A 311 LEU HD21 . 36084 1 1306 . 1 1 126 126 LEU HD22 H 1 0.830 0.02 . 2 . . . A 311 LEU HD22 . 36084 1 1307 . 1 1 126 126 LEU HD23 H 1 0.830 0.02 . 2 . . . A 311 LEU HD23 . 36084 1 1308 . 1 1 126 126 LEU CA C 13 55.016 0.2 . 1 . . . A 311 LEU CA . 36084 1 1309 . 1 1 126 126 LEU CB C 13 42.440 0.2 . 1 . . . A 311 LEU CB . 36084 1 1310 . 1 1 126 126 LEU CD1 C 13 25.000 0.2 . 1 . . . A 311 LEU CD1 . 36084 1 1311 . 1 1 126 126 LEU CD2 C 13 23.395 0.2 . 1 . . . A 311 LEU CD2 . 36084 1 1312 . 1 1 126 126 LEU N N 15 121.587 0.1 . 1 . . . A 311 LEU N . 36084 1 1313 . 1 1 127 127 ALA H H 1 7.913 0.02 . 1 . . . A 312 ALA H . 36084 1 1314 . 1 1 127 127 ALA HA H 1 4.114 0.02 . 1 . . . A 312 ALA HA . 36084 1 1315 . 1 1 127 127 ALA HB1 H 1 1.288 0.02 . 1 . . . A 312 ALA HB1 . 36084 1 1316 . 1 1 127 127 ALA HB2 H 1 1.288 0.02 . 1 . . . A 312 ALA HB2 . 36084 1 1317 . 1 1 127 127 ALA HB3 H 1 1.288 0.02 . 1 . . . A 312 ALA HB3 . 36084 1 1318 . 1 1 127 127 ALA CA C 13 53.400 0.2 . 1 . . . A 312 ALA CA . 36084 1 1319 . 1 1 127 127 ALA CB C 13 20.010 0.2 . 1 . . . A 312 ALA CB . 36084 1 1320 . 1 1 127 127 ALA N N 15 129.314 0.1 . 1 . . . A 312 ALA N . 36084 1 stop_ save_