data_50216 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50216 _Entry.Title ; HR1c domain from PRK1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-25 _Entry.Accession_date 2020-03-25 _Entry.Last_release_date 2020-03-25 _Entry.Original_release_date 2020-03-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Georgios Sophocleous . . . . 50216 2 Helen Mott . . . . 50216 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50216 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 346 50216 '15N chemical shifts' 102 50216 '1H chemical shifts' 730 50216 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 . . 2020-06-09 . original BMRB . 50216 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50216 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32500230 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1 H, 15 N and 13 C Resonance Assignments of the HR1c Domain of PRK1, a Protein Kinase C-related Kinase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2020 _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 Georgios Sophocleous . . . . 50216 1 2 George Wood . . . . 50216 1 3 Darerca Owen . . . . 50216 1 4 Helen Mott . R. . . 50216 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'HR1 domain' 50216 1 PKN 50216 1 'Protein kinase C related kinase' 50216 1 coiled-coil 50216 1 'small GTPase' 50216 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50216 _Assembly.ID 1 _Assembly.Name 'PRK1 HR1c' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PRK1 HR1c' 1 $entity_1 . . yes native no no . . . 50216 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50216 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSHMDTQGSPDLGAVEL RIEELRHHFRVEHAVAEGAK NVLRLLSAAKAPDRKAVSEA QEKLTESNQKLGLLREALER RLGELPADHPKGRLLREELA AASS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q16512 . PKN1_HUMAN . . . . . . . . . . . . . . 50216 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 1 194 GLY . 50216 1 2 195 PRO . 50216 1 3 196 LEU . 50216 1 4 197 GLY . 50216 1 5 198 SER . 50216 1 6 199 HIS . 50216 1 7 200 MET . 50216 1 8 201 ASP . 50216 1 9 202 THR . 50216 1 10 203 GLN . 50216 1 11 204 GLY . 50216 1 12 205 SER . 50216 1 13 206 PRO . 50216 1 14 207 ASP . 50216 1 15 208 LEU . 50216 1 16 209 GLY . 50216 1 17 210 ALA . 50216 1 18 211 VAL . 50216 1 19 212 GLU . 50216 1 20 213 LEU . 50216 1 21 214 ARG . 50216 1 22 215 ILE . 50216 1 23 216 GLU . 50216 1 24 217 GLU . 50216 1 25 218 LEU . 50216 1 26 219 ARG . 50216 1 27 220 HIS . 50216 1 28 221 HIS . 50216 1 29 222 PHE . 50216 1 30 223 ARG . 50216 1 31 224 VAL . 50216 1 32 225 GLU . 50216 1 33 226 HIS . 50216 1 34 227 ALA . 50216 1 35 228 VAL . 50216 1 36 229 ALA . 50216 1 37 230 GLU . 50216 1 38 231 GLY . 50216 1 39 232 ALA . 50216 1 40 233 LYS . 50216 1 41 234 ASN . 50216 1 42 235 VAL . 50216 1 43 236 LEU . 50216 1 44 237 ARG . 50216 1 45 238 LEU . 50216 1 46 239 LEU . 50216 1 47 240 SER . 50216 1 48 241 ALA . 50216 1 49 242 ALA . 50216 1 50 243 LYS . 50216 1 51 244 ALA . 50216 1 52 245 PRO . 50216 1 53 246 ASP . 50216 1 54 247 ARG . 50216 1 55 248 LYS . 50216 1 56 249 ALA . 50216 1 57 250 VAL . 50216 1 58 251 SER . 50216 1 59 252 GLU . 50216 1 60 253 ALA . 50216 1 61 254 GLN . 50216 1 62 255 GLU . 50216 1 63 256 LYS . 50216 1 64 257 LEU . 50216 1 65 258 THR . 50216 1 66 259 GLU . 50216 1 67 260 SER . 50216 1 68 261 ASN . 50216 1 69 262 GLN . 50216 1 70 263 LYS . 50216 1 71 264 LEU . 50216 1 72 265 GLY . 50216 1 73 266 LEU . 50216 1 74 267 LEU . 50216 1 75 268 ARG . 50216 1 76 269 GLU . 50216 1 77 270 ALA . 50216 1 78 271 LEU . 50216 1 79 272 GLU . 50216 1 80 273 ARG . 50216 1 81 274 ARG . 50216 1 82 275 LEU . 50216 1 83 276 GLY . 50216 1 84 277 GLU . 50216 1 85 278 LEU . 50216 1 86 279 PRO . 50216 1 87 280 ALA . 50216 1 88 281 ASP . 50216 1 89 282 HIS . 50216 1 90 283 PRO . 50216 1 91 284 LYS . 50216 1 92 285 GLY . 50216 1 93 286 ARG . 50216 1 94 287 LEU . 50216 1 95 288 LEU . 50216 1 96 289 ARG . 50216 1 97 290 GLU . 50216 1 98 291 GLU . 50216 1 99 292 LEU . 50216 1 100 293 ALA . 50216 1 101 294 ALA . 50216 1 102 295 ALA . 50216 1 103 296 SER . 50216 1 104 297 SER . 50216 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 50216 1 . PRO 2 2 50216 1 . LEU 3 3 50216 1 . GLY 4 4 50216 1 . SER 5 5 50216 1 . HIS 6 6 50216 1 . MET 7 7 50216 1 . ASP 8 8 50216 1 . THR 9 9 50216 1 . GLN 10 10 50216 1 . GLY 11 11 50216 1 . SER 12 12 50216 1 . PRO 13 13 50216 1 . ASP 14 14 50216 1 . LEU 15 15 50216 1 . GLY 16 16 50216 1 . ALA 17 17 50216 1 . VAL 18 18 50216 1 . GLU 19 19 50216 1 . LEU 20 20 50216 1 . ARG 21 21 50216 1 . ILE 22 22 50216 1 . GLU 23 23 50216 1 . GLU 24 24 50216 1 . LEU 25 25 50216 1 . ARG 26 26 50216 1 . HIS 27 27 50216 1 . HIS 28 28 50216 1 . PHE 29 29 50216 1 . ARG 30 30 50216 1 . VAL 31 31 50216 1 . GLU 32 32 50216 1 . HIS 33 33 50216 1 . ALA 34 34 50216 1 . VAL 35 35 50216 1 . ALA 36 36 50216 1 . GLU 37 37 50216 1 . GLY 38 38 50216 1 . ALA 39 39 50216 1 . LYS 40 40 50216 1 . ASN 41 41 50216 1 . VAL 42 42 50216 1 . LEU 43 43 50216 1 . ARG 44 44 50216 1 . LEU 45 45 50216 1 . LEU 46 46 50216 1 . SER 47 47 50216 1 . ALA 48 48 50216 1 . ALA 49 49 50216 1 . LYS 50 50 50216 1 . ALA 51 51 50216 1 . PRO 52 52 50216 1 . ASP 53 53 50216 1 . ARG 54 54 50216 1 . LYS 55 55 50216 1 . ALA 56 56 50216 1 . VAL 57 57 50216 1 . SER 58 58 50216 1 . GLU 59 59 50216 1 . ALA 60 60 50216 1 . GLN 61 61 50216 1 . GLU 62 62 50216 1 . LYS 63 63 50216 1 . LEU 64 64 50216 1 . THR 65 65 50216 1 . GLU 66 66 50216 1 . SER 67 67 50216 1 . ASN 68 68 50216 1 . GLN 69 69 50216 1 . LYS 70 70 50216 1 . LEU 71 71 50216 1 . GLY 72 72 50216 1 . LEU 73 73 50216 1 . LEU 74 74 50216 1 . ARG 75 75 50216 1 . GLU 76 76 50216 1 . ALA 77 77 50216 1 . LEU 78 78 50216 1 . GLU 79 79 50216 1 . ARG 80 80 50216 1 . ARG 81 81 50216 1 . LEU 82 82 50216 1 . GLY 83 83 50216 1 . GLU 84 84 50216 1 . LEU 85 85 50216 1 . PRO 86 86 50216 1 . ALA 87 87 50216 1 . ASP 88 88 50216 1 . HIS 89 89 50216 1 . PRO 90 90 50216 1 . LYS 91 91 50216 1 . GLY 92 92 50216 1 . ARG 93 93 50216 1 . LEU 94 94 50216 1 . LEU 95 95 50216 1 . ARG 96 96 50216 1 . GLU 97 97 50216 1 . GLU 98 98 50216 1 . LEU 99 99 50216 1 . ALA 100 100 50216 1 . ALA 101 101 50216 1 . ALA 102 102 50216 1 . SER 103 103 50216 1 . SER 104 104 50216 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50216 _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 . . . . . . . . . . . . . 50216 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50216 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pGex6P . . . 50216 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50216 _Sample.ID 1 _Sample.Name '15N labelled' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PRK1 HR1c domain' '[U-100% 15N]' . . 1 $entity_1 . . 1.6 . . mM . . . . 50216 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50216 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50216 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50216 _Sample.ID 2 _Sample.Name '15N, 13C labelled' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PRK1 HR1c domain' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1.2 . . mM . . . . 50216 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50216 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50216 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50216 _Sample_condition_list.ID 1 _Sample_condition_list.Name PBS _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.17 . M 50216 1 pH 7.3 . pH 50216 1 pressure 1 . atm 50216 1 temperature 298 . K 50216 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50216 _Software.ID 1 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 50216 1 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 50216 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name DRX500 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50216 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name AV800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50216 _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 . . . . . . . . . . . . . . . . 50216 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50216 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50216 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50216 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50216 1 6 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50216 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50216 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50216 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50216 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 50216 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 50216 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 na indirect . . . . . . 50216 1 H 1 DSS 'methyl protons' . . . . ppm 0 na indirect 1 . . . . . 50216 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect . . . . . . 50216 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 50216 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'PRK1 HR1c' _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' . . . 50216 1 2 '2D 1H-13C HSQC' . . . 50216 1 4 '3D HNCA' . . . 50216 1 6 '3D HN(CO)CA' . . . 50216 1 7 '3D 1H-15N NOESY' . . . 50216 1 8 '3D HCCH-TOCSY' . . . 50216 1 9 '3D 1H-15N TOCSY' . . . 50216 1 10 '3D 1H-13C NOESY' . . . 50216 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50216 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 3.875 0.002 . 1 . . . . . 194 GLY HA2 . 50216 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.875 0.002 . 1 . . . . . 194 GLY HA3 . 50216 1 3 . 1 . 1 1 1 GLY CA C 13 43.637 0.001 . 1 . . . . . 194 GLY CA . 50216 1 4 . 1 . 1 2 2 PRO HA H 1 4.396 0.002 . 1 . . . . . 195 PRO HA . 50216 1 5 . 1 . 1 2 2 PRO HB2 H 1 2.235 0.003 . 2 . . . . . 195 PRO HB2 . 50216 1 6 . 1 . 1 2 2 PRO HB3 H 1 1.868 0.000 . 2 . . . . . 195 PRO HB3 . 50216 1 7 . 1 . 1 2 2 PRO HG2 H 1 1.936 0.001 . 1 . . . . . 195 PRO HG2 . 50216 1 8 . 1 . 1 2 2 PRO HG3 H 1 1.936 0.001 . 1 . . . . . 195 PRO HG3 . 50216 1 9 . 1 . 1 2 2 PRO HD2 H 1 3.503 0.005 . 1 . . . . . 195 PRO HD2 . 50216 1 10 . 1 . 1 2 2 PRO HD3 H 1 3.503 0.005 . 1 . . . . . 195 PRO HD3 . 50216 1 11 . 1 . 1 2 2 PRO CA C 13 63.182 0.041 . 1 . . . . . 195 PRO CA . 50216 1 12 . 1 . 1 2 2 PRO CB C 13 32.352 0.020 . 1 . . . . . 195 PRO CB . 50216 1 13 . 1 . 1 2 2 PRO CG C 13 27.166 0.003 . 1 . . . . . 195 PRO CG . 50216 1 14 . 1 . 1 2 2 PRO CD C 13 49.701 0.004 . 1 . . . . . 195 PRO CD . 50216 1 15 . 1 . 1 3 3 LEU H H 1 8.456 0.014 . 1 . . . . . 196 LEU H . 50216 1 16 . 1 . 1 3 3 LEU HA H 1 4.284 0.004 . 1 . . . . . 196 LEU HA . 50216 1 17 . 1 . 1 3 3 LEU HB2 H 1 1.596 0.006 . 2 . . . . . 196 LEU HB2 . 50216 1 18 . 1 . 1 3 3 LEU HB3 H 1 1.529 0.000 . 2 . . . . . 196 LEU HB3 . 50216 1 19 . 1 . 1 3 3 LEU HG H 1 1.589 0.004 . 1 . . . . . 196 LEU HG . 50216 1 20 . 1 . 1 3 3 LEU HD11 H 1 0.810 0.001 . 2 . . . . . 196 LEU HD11 . 50216 1 21 . 1 . 1 3 3 LEU HD12 H 1 0.810 0.001 . 2 . . . . . 196 LEU HD12 . 50216 1 22 . 1 . 1 3 3 LEU HD13 H 1 0.810 0.001 . 2 . . . . . 196 LEU HD13 . 50216 1 23 . 1 . 1 3 3 LEU HD21 H 1 0.856 0.000 . 2 . . . . . 196 LEU HD21 . 50216 1 24 . 1 . 1 3 3 LEU HD22 H 1 0.856 0.000 . 2 . . . . . 196 LEU HD22 . 50216 1 25 . 1 . 1 3 3 LEU HD23 H 1 0.856 0.000 . 2 . . . . . 196 LEU HD23 . 50216 1 26 . 1 . 1 3 3 LEU CA C 13 55.439 0.019 . 1 . . . . . 196 LEU CA . 50216 1 27 . 1 . 1 3 3 LEU CB C 13 42.251 0.032 . 1 . . . . . 196 LEU CB . 50216 1 28 . 1 . 1 3 3 LEU CG C 13 27.071 0.000 . 1 . . . . . 196 LEU CG . 50216 1 29 . 1 . 1 3 3 LEU CD1 C 13 23.618 0.013 . 2 . . . . . 196 LEU CD1 . 50216 1 30 . 1 . 1 3 3 LEU CD2 C 13 24.962 0.000 . 2 . . . . . 196 LEU CD2 . 50216 1 31 . 1 . 1 3 3 LEU N N 15 121.930 0.169 . 1 . . . . . 196 LEU N . 50216 1 32 . 1 . 1 4 4 GLY H H 1 8.330 0.008 . 1 . . . . . 197 GLY H . 50216 1 33 . 1 . 1 4 4 GLY HA2 H 1 3.897 0.005 . 1 . . . . . 197 GLY HA2 . 50216 1 34 . 1 . 1 4 4 GLY HA3 H 1 3.897 0.005 . 1 . . . . . 197 GLY HA3 . 50216 1 35 . 1 . 1 4 4 GLY CA C 13 45.169 0.043 . 1 . . . . . 197 GLY CA . 50216 1 36 . 1 . 1 4 4 GLY N N 15 109.549 0.061 . 1 . . . . . 197 GLY N . 50216 1 37 . 1 . 1 5 5 SER H H 1 8.194 0.003 . 1 . . . . . 198 SER H . 50216 1 38 . 1 . 1 5 5 SER HA H 1 4.715 0.000 . 1 . . . . . 198 SER HA . 50216 1 39 . 1 . 1 5 5 SER HB2 H 1 3.818 0.000 . 2 . . . . . 198 SER HB2 . 50216 1 40 . 1 . 1 5 5 SER HB3 H 1 3.783 0.000 . 2 . . . . . 198 SER HB3 . 50216 1 41 . 1 . 1 5 5 SER CA C 13 56.377 0.054 . 1 . . . . . 198 SER CA . 50216 1 42 . 1 . 1 5 5 SER CB C 13 63.494 0.052 . 1 . . . . . 198 SER CB . 50216 1 43 . 1 . 1 5 5 SER N N 15 116.523 0.025 . 1 . . . . . 198 SER N . 50216 1 44 . 1 . 1 6 6 HIS HA H 1 4.527 0.001 . 1 . . . . . 199 HIS HA . 50216 1 45 . 1 . 1 6 6 HIS HB2 H 1 3.038 0.003 . 1 . . . . . 199 HIS HB2 . 50216 1 46 . 1 . 1 6 6 HIS HB3 H 1 3.038 0.003 . 1 . . . . . 199 HIS HB3 . 50216 1 47 . 1 . 1 6 6 HIS HD2 H 1 6.930 0.001 . 1 . . . . . 199 HIS HD2 . 50216 1 48 . 1 . 1 6 6 HIS HE1 H 1 7.842 0.000 . 1 . . . . . 199 HIS HE1 . 50216 1 49 . 1 . 1 6 6 HIS CA C 13 56.796 0.021 . 1 . . . . . 199 HIS CA . 50216 1 50 . 1 . 1 6 6 HIS CB C 13 30.641 0.007 . 1 . . . . . 199 HIS CB . 50216 1 51 . 1 . 1 6 6 HIS CD2 C 13 119.776 0.002 . 1 . . . . . 199 HIS CD2 . 50216 1 52 . 1 . 1 6 6 HIS CE1 C 13 138.340 0.000 . 1 . . . . . 199 HIS CE1 . 50216 1 53 . 1 . 1 7 7 MET H H 1 8.075 0.001 . 1 . . . . . 200 MET H . 50216 1 54 . 1 . 1 7 7 MET HA H 1 4.359 0.009 . 1 . . . . . 200 MET HA . 50216 1 55 . 1 . 1 7 7 MET HB2 H 1 1.845 0.006 . 2 . . . . . 200 MET HB2 . 50216 1 56 . 1 . 1 7 7 MET HB3 H 1 1.972 0.002 . 2 . . . . . 200 MET HB3 . 50216 1 57 . 1 . 1 7 7 MET HG2 H 1 2.304 0.003 . 2 . . . . . 200 MET HG2 . 50216 1 58 . 1 . 1 7 7 MET HG3 H 1 2.398 0.002 . 2 . . . . . 200 MET HG3 . 50216 1 59 . 1 . 1 7 7 MET HE1 H 1 1.990 0.010 . 1 . . . . . 200 MET HE1 . 50216 1 60 . 1 . 1 7 7 MET HE2 H 1 1.990 0.010 . 1 . . . . . 200 MET HE2 . 50216 1 61 . 1 . 1 7 7 MET HE3 H 1 1.990 0.010 . 1 . . . . . 200 MET HE3 . 50216 1 62 . 1 . 1 7 7 MET CA C 13 55.506 0.012 . 1 . . . . . 200 MET CA . 50216 1 63 . 1 . 1 7 7 MET CB C 13 32.905 0.028 . 1 . . . . . 200 MET CB . 50216 1 64 . 1 . 1 7 7 MET CG C 13 31.920 0.005 . 1 . . . . . 200 MET CG . 50216 1 65 . 1 . 1 7 7 MET CE C 13 16.928 0.001 . 1 . . . . . 200 MET CE . 50216 1 66 . 1 . 1 7 7 MET N N 15 120.659 0.008 . 1 . . . . . 200 MET N . 50216 1 67 . 1 . 1 8 8 ASP H H 1 8.325 0.035 . 1 . . . . . 201 ASP H . 50216 1 68 . 1 . 1 8 8 ASP HA H 1 4.587 0.000 . 1 . . . . . 201 ASP HA . 50216 1 69 . 1 . 1 8 8 ASP HB2 H 1 2.594 0.003 . 2 . . . . . 201 ASP HB2 . 50216 1 70 . 1 . 1 8 8 ASP HB3 H 1 2.676 0.002 . 2 . . . . . 201 ASP HB3 . 50216 1 71 . 1 . 1 8 8 ASP CA C 13 54.590 0.047 . 1 . . . . . 201 ASP CA . 50216 1 72 . 1 . 1 8 8 ASP CB C 13 41.253 0.008 . 1 . . . . . 201 ASP CB . 50216 1 73 . 1 . 1 8 8 ASP N N 15 121.308 0.102 . 1 . . . . . 201 ASP N . 50216 1 74 . 1 . 1 9 9 THR H H 1 8.037 0.012 . 1 . . . . . 202 THR H . 50216 1 75 . 1 . 1 9 9 THR HA H 1 4.254 0.008 . 1 . . . . . 202 THR HA . 50216 1 76 . 1 . 1 9 9 THR HB H 1 4.223 0.009 . 1 . . . . . 202 THR HB . 50216 1 77 . 1 . 1 9 9 THR HG21 H 1 1.129 0.003 . 1 . . . . . 202 THR HG21 . 50216 1 78 . 1 . 1 9 9 THR HG22 H 1 1.129 0.003 . 1 . . . . . 202 THR HG22 . 50216 1 79 . 1 . 1 9 9 THR HG23 H 1 1.129 0.003 . 1 . . . . . 202 THR HG23 . 50216 1 80 . 1 . 1 9 9 THR CA C 13 61.968 0.056 . 1 . . . . . 202 THR CA . 50216 1 81 . 1 . 1 9 9 THR CB C 13 69.621 0.075 . 1 . . . . . 202 THR CB . 50216 1 82 . 1 . 1 9 9 THR CG2 C 13 21.686 0.000 . 1 . . . . . 202 THR CG2 . 50216 1 83 . 1 . 1 9 9 THR N N 15 113.576 0.051 . 1 . . . . . 202 THR N . 50216 1 84 . 1 . 1 10 10 GLN H H 1 8.328 0.013 . 1 . . . . . 203 GLN H . 50216 1 85 . 1 . 1 10 10 GLN HA H 1 4.275 0.005 . 1 . . . . . 203 GLN HA . 50216 1 86 . 1 . 1 10 10 GLN HB2 H 1 1.967 0.010 . 2 . . . . . 203 GLN HB2 . 50216 1 87 . 1 . 1 10 10 GLN HB3 H 1 2.079 0.008 . 2 . . . . . 203 GLN HB3 . 50216 1 88 . 1 . 1 10 10 GLN HG2 H 1 2.308 0.005 . 1 . . . . . 203 GLN HG2 . 50216 1 89 . 1 . 1 10 10 GLN HG3 H 1 2.308 0.005 . 1 . . . . . 203 GLN HG3 . 50216 1 90 . 1 . 1 10 10 GLN HE21 H 1 6.770 0.008 . 1 . . . . . 203 GLN HE21 . 50216 1 91 . 1 . 1 10 10 GLN HE22 H 1 7.507 0.007 . 1 . . . . . 203 GLN HE22 . 50216 1 92 . 1 . 1 10 10 GLN CA C 13 56.171 0.041 . 1 . . . . . 203 GLN CA . 50216 1 93 . 1 . 1 10 10 GLN CB C 13 29.436 0.022 . 1 . . . . . 203 GLN CB . 50216 1 94 . 1 . 1 10 10 GLN CG C 13 33.983 0.000 . 1 . . . . . 203 GLN CG . 50216 1 95 . 1 . 1 10 10 GLN N N 15 121.951 0.061 . 1 . . . . . 203 GLN N . 50216 1 96 . 1 . 1 10 10 GLN NE2 N 15 112.256 0.181 . 1 . . . . . 203 GLN NE2 . 50216 1 97 . 1 . 1 11 11 GLY H H 1 8.334 0.020 . 1 . . . . . 204 GLY H . 50216 1 98 . 1 . 1 11 11 GLY HA2 H 1 3.896 0.004 . 2 . . . . . 204 GLY HA2 . 50216 1 99 . 1 . 1 11 11 GLY HA3 H 1 3.935 0.013 . 2 . . . . . 204 GLY HA3 . 50216 1 100 . 1 . 1 11 11 GLY CA C 13 45.298 0.021 . 1 . . . . . 204 GLY CA . 50216 1 101 . 1 . 1 11 11 GLY N N 15 109.605 0.122 . 1 . . . . . 204 GLY N . 50216 1 102 . 1 . 1 12 12 SER H H 1 8.149 0.003 . 1 . . . . . 205 SER H . 50216 1 103 . 1 . 1 12 12 SER HA H 1 4.368 0.002 . 1 . . . . . 205 SER HA . 50216 1 104 . 1 . 1 12 12 SER HB2 H 1 3.781 0.006 . 2 . . . . . 205 SER HB2 . 50216 1 105 . 1 . 1 12 12 SER HB3 H 1 3.740 0.011 . 2 . . . . . 205 SER HB3 . 50216 1 106 . 1 . 1 12 12 SER CA C 13 55.746 0.064 . 1 . . . . . 205 SER CA . 50216 1 107 . 1 . 1 12 12 SER CB C 13 64.004 0.022 . 1 . . . . . 205 SER CB . 50216 1 108 . 1 . 1 12 12 SER N N 15 115.242 0.007 . 1 . . . . . 205 SER N . 50216 1 109 . 1 . 1 13 13 PRO HA H 1 4.375 0.002 . 1 . . . . . 206 PRO HA . 50216 1 110 . 1 . 1 13 13 PRO HB2 H 1 2.207 0.003 . 2 . . . . . 206 PRO HB2 . 50216 1 111 . 1 . 1 13 13 PRO HB3 H 1 1.814 0.003 . 2 . . . . . 206 PRO HB3 . 50216 1 112 . 1 . 1 13 13 PRO HG2 H 1 1.949 0.003 . 1 . . . . . 206 PRO HG2 . 50216 1 113 . 1 . 1 13 13 PRO HG3 H 1 1.949 0.003 . 1 . . . . . 206 PRO HG3 . 50216 1 114 . 1 . 1 13 13 PRO HD2 H 1 3.737 0.000 . 2 . . . . . 206 PRO HD2 . 50216 1 115 . 1 . 1 13 13 PRO HD3 H 1 3.672 0.000 . 2 . . . . . 206 PRO HD3 . 50216 1 116 . 1 . 1 13 13 PRO CA C 13 63.415 0.028 . 1 . . . . . 206 PRO CA . 50216 1 117 . 1 . 1 13 13 PRO CB C 13 32.174 0.028 . 1 . . . . . 206 PRO CB . 50216 1 118 . 1 . 1 13 13 PRO CG C 13 27.282 0.014 . 1 . . . . . 206 PRO CG . 50216 1 119 . 1 . 1 13 13 PRO CD C 13 50.778 0.010 . 1 . . . . . 206 PRO CD . 50216 1 120 . 1 . 1 14 14 ASP H H 1 8.299 0.013 . 1 . . . . . 207 ASP H . 50216 1 121 . 1 . 1 14 14 ASP HA H 1 4.562 0.009 . 1 . . . . . 207 ASP HA . 50216 1 122 . 1 . 1 14 14 ASP HB2 H 1 2.582 0.005 . 2 . . . . . 207 ASP HB2 . 50216 1 123 . 1 . 1 14 14 ASP HB3 H 1 2.740 0.003 . 2 . . . . . 207 ASP HB3 . 50216 1 124 . 1 . 1 14 14 ASP CA C 13 53.924 0.029 . 1 . . . . . 207 ASP CA . 50216 1 125 . 1 . 1 14 14 ASP CB C 13 41.175 0.019 . 1 . . . . . 207 ASP CB . 50216 1 126 . 1 . 1 14 14 ASP N N 15 120.102 0.054 . 1 . . . . . 207 ASP N . 50216 1 127 . 1 . 1 15 15 LEU H H 1 8.354 0.011 . 1 . . . . . 208 LEU H . 50216 1 128 . 1 . 1 15 15 LEU HA H 1 4.166 0.004 . 1 . . . . . 208 LEU HA . 50216 1 129 . 1 . 1 15 15 LEU HB2 H 1 1.679 0.005 . 2 . . . . . 208 LEU HB2 . 50216 1 130 . 1 . 1 15 15 LEU HB3 H 1 1.572 0.002 . 2 . . . . . 208 LEU HB3 . 50216 1 131 . 1 . 1 15 15 LEU HG H 1 1.668 0.005 . 1 . . . . . 208 LEU HG . 50216 1 132 . 1 . 1 15 15 LEU HD11 H 1 0.847 0.010 . 2 . . . . . 208 LEU HD11 . 50216 1 133 . 1 . 1 15 15 LEU HD12 H 1 0.847 0.010 . 2 . . . . . 208 LEU HD12 . 50216 1 134 . 1 . 1 15 15 LEU HD13 H 1 0.847 0.010 . 2 . . . . . 208 LEU HD13 . 50216 1 135 . 1 . 1 15 15 LEU HD21 H 1 0.909 0.006 . 2 . . . . . 208 LEU HD21 . 50216 1 136 . 1 . 1 15 15 LEU HD22 H 1 0.909 0.006 . 2 . . . . . 208 LEU HD22 . 50216 1 137 . 1 . 1 15 15 LEU HD23 H 1 0.909 0.006 . 2 . . . . . 208 LEU HD23 . 50216 1 138 . 1 . 1 15 15 LEU CA C 13 56.495 0.033 . 1 . . . . . 208 LEU CA . 50216 1 139 . 1 . 1 15 15 LEU CB C 13 41.822 0.073 . 1 . . . . . 208 LEU CB . 50216 1 140 . 1 . 1 15 15 LEU CG C 13 26.977 0.007 . 1 . . . . . 208 LEU CG . 50216 1 141 . 1 . 1 15 15 LEU CD1 C 13 23.838 0.055 . 2 . . . . . 208 LEU CD1 . 50216 1 142 . 1 . 1 15 15 LEU CD2 C 13 25.262 0.011 . 2 . . . . . 208 LEU CD2 . 50216 1 143 . 1 . 1 15 15 LEU N N 15 123.970 0.029 . 1 . . . . . 208 LEU N . 50216 1 144 . 1 . 1 16 16 GLY H H 1 8.431 0.005 . 1 . . . . . 209 GLY H . 50216 1 145 . 1 . 1 16 16 GLY HA2 H 1 3.864 0.003 . 1 . . . . . 209 GLY HA2 . 50216 1 146 . 1 . 1 16 16 GLY HA3 H 1 3.864 0.003 . 1 . . . . . 209 GLY HA3 . 50216 1 147 . 1 . 1 16 16 GLY CA C 13 46.797 0.046 . 1 . . . . . 209 GLY CA . 50216 1 148 . 1 . 1 16 16 GLY N N 15 107.730 0.048 . 1 . . . . . 209 GLY N . 50216 1 149 . 1 . 1 17 17 ALA H H 1 7.912 0.017 . 1 . . . . . 210 ALA H . 50216 1 150 . 1 . 1 17 17 ALA HA H 1 4.134 0.013 . 1 . . . . . 210 ALA HA . 50216 1 151 . 1 . 1 17 17 ALA HB1 H 1 1.427 0.008 . 1 . . . . . 210 ALA HB1 . 50216 1 152 . 1 . 1 17 17 ALA HB2 H 1 1.427 0.008 . 1 . . . . . 210 ALA HB2 . 50216 1 153 . 1 . 1 17 17 ALA HB3 H 1 1.427 0.008 . 1 . . . . . 210 ALA HB3 . 50216 1 154 . 1 . 1 17 17 ALA CA C 13 54.598 0.058 . 1 . . . . . 210 ALA CA . 50216 1 155 . 1 . 1 17 17 ALA CB C 13 18.550 0.114 . 1 . . . . . 210 ALA CB . 50216 1 156 . 1 . 1 17 17 ALA N N 15 123.501 0.072 . 1 . . . . . 210 ALA N . 50216 1 157 . 1 . 1 18 18 VAL H H 1 7.825 0.013 . 1 . . . . . 211 VAL H . 50216 1 158 . 1 . 1 18 18 VAL HA H 1 3.581 0.005 . 1 . . . . . 211 VAL HA . 50216 1 159 . 1 . 1 18 18 VAL HB H 1 2.096 0.001 . 1 . . . . . 211 VAL HB . 50216 1 160 . 1 . 1 18 18 VAL HG11 H 1 0.980 0.005 . 2 . . . . . 211 VAL HG11 . 50216 1 161 . 1 . 1 18 18 VAL HG12 H 1 0.980 0.005 . 2 . . . . . 211 VAL HG12 . 50216 1 162 . 1 . 1 18 18 VAL HG13 H 1 0.980 0.005 . 2 . . . . . 211 VAL HG13 . 50216 1 163 . 1 . 1 18 18 VAL HG21 H 1 0.828 0.006 . 2 . . . . . 211 VAL HG21 . 50216 1 164 . 1 . 1 18 18 VAL HG22 H 1 0.828 0.006 . 2 . . . . . 211 VAL HG22 . 50216 1 165 . 1 . 1 18 18 VAL HG23 H 1 0.828 0.006 . 2 . . . . . 211 VAL HG23 . 50216 1 166 . 1 . 1 18 18 VAL CA C 13 66.133 0.043 . 1 . . . . . 211 VAL CA . 50216 1 167 . 1 . 1 18 18 VAL CB C 13 31.999 0.058 . 1 . . . . . 211 VAL CB . 50216 1 168 . 1 . 1 18 18 VAL CG1 C 13 22.469 0.010 . 2 . . . . . 211 VAL CG1 . 50216 1 169 . 1 . 1 18 18 VAL CG2 C 13 21.857 0.055 . 2 . . . . . 211 VAL CG2 . 50216 1 170 . 1 . 1 18 18 VAL N N 15 119.571 0.044 . 1 . . . . . 211 VAL N . 50216 1 171 . 1 . 1 19 19 GLU H H 1 8.390 0.005 . 1 . . . . . 212 GLU H . 50216 1 172 . 1 . 1 19 19 GLU HA H 1 3.720 0.011 . 1 . . . . . 212 GLU HA . 50216 1 173 . 1 . 1 19 19 GLU HB2 H 1 2.142 0.002 . 2 . . . . . 212 GLU HB2 . 50216 1 174 . 1 . 1 19 19 GLU HB3 H 1 1.956 0.000 . 2 . . . . . 212 GLU HB3 . 50216 1 175 . 1 . 1 19 19 GLU HG2 H 1 2.366 0.004 . 2 . . . . . 212 GLU HG2 . 50216 1 176 . 1 . 1 19 19 GLU HG3 H 1 2.017 0.003 . 2 . . . . . 212 GLU HG3 . 50216 1 177 . 1 . 1 19 19 GLU CA C 13 60.339 0.056 . 1 . . . . . 212 GLU CA . 50216 1 178 . 1 . 1 19 19 GLU CB C 13 29.779 0.038 . 1 . . . . . 212 GLU CB . 50216 1 179 . 1 . 1 19 19 GLU CG C 13 37.612 0.042 . 1 . . . . . 212 GLU CG . 50216 1 180 . 1 . 1 19 19 GLU N N 15 119.188 0.046 . 1 . . . . . 212 GLU N . 50216 1 181 . 1 . 1 20 20 LEU H H 1 7.832 0.007 . 1 . . . . . 213 LEU H . 50216 1 182 . 1 . 1 20 20 LEU HA H 1 4.081 0.010 . 1 . . . . . 213 LEU HA . 50216 1 183 . 1 . 1 20 20 LEU HB2 H 1 1.570 0.001 . 2 . . . . . 213 LEU HB2 . 50216 1 184 . 1 . 1 20 20 LEU HB3 H 1 1.734 0.009 . 2 . . . . . 213 LEU HB3 . 50216 1 185 . 1 . 1 20 20 LEU HG H 1 1.669 0.007 . 1 . . . . . 213 LEU HG . 50216 1 186 . 1 . 1 20 20 LEU HD11 H 1 0.822 0.012 . 2 . . . . . 213 LEU HD11 . 50216 1 187 . 1 . 1 20 20 LEU HD12 H 1 0.822 0.012 . 2 . . . . . 213 LEU HD12 . 50216 1 188 . 1 . 1 20 20 LEU HD13 H 1 0.822 0.012 . 2 . . . . . 213 LEU HD13 . 50216 1 189 . 1 . 1 20 20 LEU HD21 H 1 0.842 0.004 . 2 . . . . . 213 LEU HD21 . 50216 1 190 . 1 . 1 20 20 LEU HD22 H 1 0.842 0.004 . 2 . . . . . 213 LEU HD22 . 50216 1 191 . 1 . 1 20 20 LEU HD23 H 1 0.842 0.004 . 2 . . . . . 213 LEU HD23 . 50216 1 192 . 1 . 1 20 20 LEU CA C 13 57.804 0.022 . 1 . . . . . 213 LEU CA . 50216 1 193 . 1 . 1 20 20 LEU CB C 13 41.938 0.018 . 1 . . . . . 213 LEU CB . 50216 1 194 . 1 . 1 20 20 LEU CG C 13 26.989 0.006 . 1 . . . . . 213 LEU CG . 50216 1 195 . 1 . 1 20 20 LEU CD1 C 13 23.807 0.023 . 2 . . . . . 213 LEU CD1 . 50216 1 196 . 1 . 1 20 20 LEU CD2 C 13 24.940 0.026 . 2 . . . . . 213 LEU CD2 . 50216 1 197 . 1 . 1 20 20 LEU N N 15 119.562 0.047 . 1 . . . . . 213 LEU N . 50216 1 198 . 1 . 1 21 21 ARG H H 1 7.875 0.018 . 1 . . . . . 214 ARG H . 50216 1 199 . 1 . 1 21 21 ARG HA H 1 4.173 0.002 . 1 . . . . . 214 ARG HA . 50216 1 200 . 1 . 1 21 21 ARG HB2 H 1 1.942 0.005 . 1 . . . . . 214 ARG HB2 . 50216 1 201 . 1 . 1 21 21 ARG HB3 H 1 1.942 0.005 . 1 . . . . . 214 ARG HB3 . 50216 1 202 . 1 . 1 21 21 ARG HG2 H 1 1.788 0.002 . 2 . . . . . 214 ARG HG2 . 50216 1 203 . 1 . 1 21 21 ARG HG3 H 1 1.622 0.003 . 2 . . . . . 214 ARG HG3 . 50216 1 204 . 1 . 1 21 21 ARG HD2 H 1 3.312 0.001 . 2 . . . . . 214 ARG HD2 . 50216 1 205 . 1 . 1 21 21 ARG HD3 H 1 3.142 0.001 . 2 . . . . . 214 ARG HD3 . 50216 1 206 . 1 . 1 21 21 ARG CA C 13 57.956 0.039 . 1 . . . . . 214 ARG CA . 50216 1 207 . 1 . 1 21 21 ARG CB C 13 30.050 0.083 . 1 . . . . . 214 ARG CB . 50216 1 208 . 1 . 1 21 21 ARG CG C 13 26.846 0.027 . 1 . . . . . 214 ARG CG . 50216 1 209 . 1 . 1 21 21 ARG CD C 13 43.172 0.009 . 1 . . . . . 214 ARG CD . 50216 1 210 . 1 . 1 21 21 ARG N N 15 119.512 0.036 . 1 . . . . . 214 ARG N . 50216 1 211 . 1 . 1 22 22 ILE H H 1 8.383 0.007 . 1 . . . . . 215 ILE H . 50216 1 212 . 1 . 1 22 22 ILE HA H 1 3.476 0.003 . 1 . . . . . 215 ILE HA . 50216 1 213 . 1 . 1 22 22 ILE HB H 1 1.899 0.002 . 1 . . . . . 215 ILE HB . 50216 1 214 . 1 . 1 22 22 ILE HG12 H 1 1.704 0.004 . 2 . . . . . 215 ILE HG12 . 50216 1 215 . 1 . 1 22 22 ILE HG13 H 1 0.710 0.007 . 2 . . . . . 215 ILE HG13 . 50216 1 216 . 1 . 1 22 22 ILE HG21 H 1 0.715 0.007 . 1 . . . . . 215 ILE HG21 . 50216 1 217 . 1 . 1 22 22 ILE HG22 H 1 0.715 0.007 . 1 . . . . . 215 ILE HG22 . 50216 1 218 . 1 . 1 22 22 ILE HG23 H 1 0.715 0.007 . 1 . . . . . 215 ILE HG23 . 50216 1 219 . 1 . 1 22 22 ILE HD11 H 1 0.607 0.006 . 1 . . . . . 215 ILE HD11 . 50216 1 220 . 1 . 1 22 22 ILE HD12 H 1 0.607 0.006 . 1 . . . . . 215 ILE HD12 . 50216 1 221 . 1 . 1 22 22 ILE HD13 H 1 0.607 0.006 . 1 . . . . . 215 ILE HD13 . 50216 1 222 . 1 . 1 22 22 ILE CA C 13 66.102 0.076 . 1 . . . . . 215 ILE CA . 50216 1 223 . 1 . 1 22 22 ILE CB C 13 37.753 0.045 . 1 . . . . . 215 ILE CB . 50216 1 224 . 1 . 1 22 22 ILE CG1 C 13 30.901 0.007 . 1 . . . . . 215 ILE CG1 . 50216 1 225 . 1 . 1 22 22 ILE CG2 C 13 17.600 0.012 . 1 . . . . . 215 ILE CG2 . 50216 1 226 . 1 . 1 22 22 ILE CD1 C 13 14.464 0.006 . 1 . . . . . 215 ILE CD1 . 50216 1 227 . 1 . 1 22 22 ILE N N 15 119.093 0.099 . 1 . . . . . 215 ILE N . 50216 1 228 . 1 . 1 23 23 GLU H H 1 8.041 0.019 . 1 . . . . . 216 GLU H . 50216 1 229 . 1 . 1 23 23 GLU HA H 1 3.999 0.009 . 1 . . . . . 216 GLU HA . 50216 1 230 . 1 . 1 23 23 GLU HB2 H 1 2.071 0.003 . 1 . . . . . 216 GLU HB2 . 50216 1 231 . 1 . 1 23 23 GLU HB3 H 1 2.071 0.003 . 1 . . . . . 216 GLU HB3 . 50216 1 232 . 1 . 1 23 23 GLU HG2 H 1 2.339 0.007 . 2 . . . . . 216 GLU HG2 . 50216 1 233 . 1 . 1 23 23 GLU HG3 H 1 2.133 0.002 . 2 . . . . . 216 GLU HG3 . 50216 1 234 . 1 . 1 23 23 GLU CA C 13 59.458 0.049 . 1 . . . . . 216 GLU CA . 50216 1 235 . 1 . 1 23 23 GLU CB C 13 29.170 0.051 . 1 . . . . . 216 GLU CB . 50216 1 236 . 1 . 1 23 23 GLU CG C 13 36.405 0.045 . 1 . . . . . 216 GLU CG . 50216 1 237 . 1 . 1 23 23 GLU N N 15 118.986 0.112 . 1 . . . . . 216 GLU N . 50216 1 238 . 1 . 1 24 24 GLU H H 1 7.860 0.013 . 1 . . . . . 217 GLU H . 50216 1 239 . 1 . 1 24 24 GLU HA H 1 4.075 0.005 . 1 . . . . . 217 GLU HA . 50216 1 240 . 1 . 1 24 24 GLU HB2 H 1 2.210 0.002 . 2 . . . . . 217 GLU HB2 . 50216 1 241 . 1 . 1 24 24 GLU HB3 H 1 1.874 0.000 . 2 . . . . . 217 GLU HB3 . 50216 1 242 . 1 . 1 24 24 GLU HG2 H 1 2.377 0.004 . 2 . . . . . 217 GLU HG2 . 50216 1 243 . 1 . 1 24 24 GLU HG3 H 1 2.141 0.005 . 2 . . . . . 217 GLU HG3 . 50216 1 244 . 1 . 1 24 24 GLU CA C 13 59.494 0.067 . 1 . . . . . 217 GLU CA . 50216 1 245 . 1 . 1 24 24 GLU CB C 13 30.086 0.078 . 1 . . . . . 217 GLU CB . 50216 1 246 . 1 . 1 24 24 GLU CG C 13 36.496 0.010 . 1 . . . . . 217 GLU CG . 50216 1 247 . 1 . 1 24 24 GLU N N 15 120.351 0.176 . 1 . . . . . 217 GLU N . 50216 1 248 . 1 . 1 25 25 LEU H H 1 8.124 0.006 . 1 . . . . . 218 LEU H . 50216 1 249 . 1 . 1 25 25 LEU HA H 1 4.081 0.004 . 1 . . . . . 218 LEU HA . 50216 1 250 . 1 . 1 25 25 LEU HB2 H 1 2.047 0.007 . 2 . . . . . 218 LEU HB2 . 50216 1 251 . 1 . 1 25 25 LEU HB3 H 1 1.273 0.007 . 2 . . . . . 218 LEU HB3 . 50216 1 252 . 1 . 1 25 25 LEU HG H 1 1.798 0.005 . 1 . . . . . 218 LEU HG . 50216 1 253 . 1 . 1 25 25 LEU HD11 H 1 0.900 0.002 . 2 . . . . . 218 LEU HD11 . 50216 1 254 . 1 . 1 25 25 LEU HD12 H 1 0.900 0.002 . 2 . . . . . 218 LEU HD12 . 50216 1 255 . 1 . 1 25 25 LEU HD13 H 1 0.900 0.002 . 2 . . . . . 218 LEU HD13 . 50216 1 256 . 1 . 1 25 25 LEU HD21 H 1 0.756 0.007 . 2 . . . . . 218 LEU HD21 . 50216 1 257 . 1 . 1 25 25 LEU HD22 H 1 0.756 0.007 . 2 . . . . . 218 LEU HD22 . 50216 1 258 . 1 . 1 25 25 LEU HD23 H 1 0.756 0.007 . 2 . . . . . 218 LEU HD23 . 50216 1 259 . 1 . 1 25 25 LEU CA C 13 58.154 0.039 . 1 . . . . . 218 LEU CA . 50216 1 260 . 1 . 1 25 25 LEU CB C 13 43.312 0.011 . 1 . . . . . 218 LEU CB . 50216 1 261 . 1 . 1 25 25 LEU CG C 13 27.374 0.008 . 1 . . . . . 218 LEU CG . 50216 1 262 . 1 . 1 25 25 LEU CD1 C 13 23.479 0.007 . 2 . . . . . 218 LEU CD1 . 50216 1 263 . 1 . 1 25 25 LEU CD2 C 13 26.003 0.020 . 2 . . . . . 218 LEU CD2 . 50216 1 264 . 1 . 1 25 25 LEU N N 15 119.293 0.204 . 1 . . . . . 218 LEU N . 50216 1 265 . 1 . 1 26 26 ARG H H 1 8.936 0.018 . 1 . . . . . 219 ARG H . 50216 1 266 . 1 . 1 26 26 ARG HA H 1 3.849 0.005 . 1 . . . . . 219 ARG HA . 50216 1 267 . 1 . 1 26 26 ARG HB2 H 1 2.013 0.006 . 2 . . . . . 219 ARG HB2 . 50216 1 268 . 1 . 1 26 26 ARG HB3 H 1 1.797 0.007 . 2 . . . . . 219 ARG HB3 . 50216 1 269 . 1 . 1 26 26 ARG HG2 H 1 1.481 0.005 . 2 . . . . . 219 ARG HG2 . 50216 1 270 . 1 . 1 26 26 ARG HG3 H 1 1.772 0.007 . 2 . . . . . 219 ARG HG3 . 50216 1 271 . 1 . 1 26 26 ARG HD2 H 1 2.964 0.004 . 2 . . . . . 219 ARG HD2 . 50216 1 272 . 1 . 1 26 26 ARG HD3 H 1 3.098 0.003 . 2 . . . . . 219 ARG HD3 . 50216 1 273 . 1 . 1 26 26 ARG CA C 13 60.157 0.038 . 1 . . . . . 219 ARG CA . 50216 1 274 . 1 . 1 26 26 ARG CB C 13 30.916 0.055 . 1 . . . . . 219 ARG CB . 50216 1 275 . 1 . 1 26 26 ARG CG C 13 27.772 0.028 . 1 . . . . . 219 ARG CG . 50216 1 276 . 1 . 1 26 26 ARG CD C 13 44.187 0.043 . 1 . . . . . 219 ARG CD . 50216 1 277 . 1 . 1 26 26 ARG N N 15 118.947 0.122 . 1 . . . . . 219 ARG N . 50216 1 278 . 1 . 1 27 27 HIS H H 1 7.866 0.048 . 1 . . . . . 220 HIS H . 50216 1 279 . 1 . 1 27 27 HIS HA H 1 4.316 0.010 . 1 . . . . . 220 HIS HA . 50216 1 280 . 1 . 1 27 27 HIS HB2 H 1 3.103 0.005 . 2 . . . . . 220 HIS HB2 . 50216 1 281 . 1 . 1 27 27 HIS HB3 H 1 3.271 0.008 . 2 . . . . . 220 HIS HB3 . 50216 1 282 . 1 . 1 27 27 HIS HD1 H 1 6.672 0.000 . 1 . . . . . 220 HIS HD1 . 50216 1 283 . 1 . 1 27 27 HIS HD2 H 1 6.497 0.003 . 1 . . . . . 220 HIS HD2 . 50216 1 284 . 1 . 1 27 27 HIS HE1 H 1 7.630 0.005 . 1 . . . . . 220 HIS HE1 . 50216 1 285 . 1 . 1 27 27 HIS CA C 13 60.285 0.048 . 1 . . . . . 220 HIS CA . 50216 1 286 . 1 . 1 27 27 HIS CB C 13 30.057 0.038 . 1 . . . . . 220 HIS CB . 50216 1 287 . 1 . 1 27 27 HIS CD2 C 13 119.495 0.021 . 1 . . . . . 220 HIS CD2 . 50216 1 288 . 1 . 1 27 27 HIS CE1 C 13 138.335 0.011 . 1 . . . . . 220 HIS CE1 . 50216 1 289 . 1 . 1 27 27 HIS N N 15 118.586 0.074 . 1 . . . . . 220 HIS N . 50216 1 290 . 1 . 1 28 28 HIS H H 1 8.061 0.046 . 1 . . . . . 221 HIS H . 50216 1 291 . 1 . 1 28 28 HIS HA H 1 4.214 0.003 . 1 . . . . . 221 HIS HA . 50216 1 292 . 1 . 1 28 28 HIS HB2 H 1 3.161 0.010 . 2 . . . . . 221 HIS HB2 . 50216 1 293 . 1 . 1 28 28 HIS HB3 H 1 3.205 0.015 . 2 . . . . . 221 HIS HB3 . 50216 1 294 . 1 . 1 28 28 HIS HD2 H 1 7.011 0.004 . 1 . . . . . 221 HIS HD2 . 50216 1 295 . 1 . 1 28 28 HIS HE1 H 1 7.808 0.001 . 1 . . . . . 221 HIS HE1 . 50216 1 296 . 1 . 1 28 28 HIS CA C 13 59.515 0.042 . 1 . . . . . 221 HIS CA . 50216 1 297 . 1 . 1 28 28 HIS CB C 13 31.067 0.054 . 1 . . . . . 221 HIS CB . 50216 1 298 . 1 . 1 28 28 HIS CD2 C 13 119.591 0.015 . 1 . . . . . 221 HIS CD2 . 50216 1 299 . 1 . 1 28 28 HIS CE1 C 13 138.850 0.018 . 1 . . . . . 221 HIS CE1 . 50216 1 300 . 1 . 1 28 28 HIS N N 15 116.982 0.046 . 1 . . . . . 221 HIS N . 50216 1 301 . 1 . 1 29 29 PHE H H 1 9.045 0.023 . 1 . . . . . 222 PHE H . 50216 1 302 . 1 . 1 29 29 PHE HA H 1 3.981 0.010 . 1 . . . . . 222 PHE HA . 50216 1 303 . 1 . 1 29 29 PHE HB2 H 1 3.323 0.005 . 2 . . . . . 222 PHE HB2 . 50216 1 304 . 1 . 1 29 29 PHE HB3 H 1 2.983 0.004 . 2 . . . . . 222 PHE HB3 . 50216 1 305 . 1 . 1 29 29 PHE HD1 H 1 7.016 0.007 . 1 . . . . . 222 PHE HD1 . 50216 1 306 . 1 . 1 29 29 PHE HD2 H 1 7.016 0.007 . 1 . . . . . 222 PHE HD2 . 50216 1 307 . 1 . 1 29 29 PHE HE1 H 1 7.125 0.007 . 1 . . . . . 222 PHE HE1 . 50216 1 308 . 1 . 1 29 29 PHE HE2 H 1 7.125 0.007 . 1 . . . . . 222 PHE HE2 . 50216 1 309 . 1 . 1 29 29 PHE HZ H 1 7.156 0.012 . 1 . . . . . 222 PHE HZ . 50216 1 310 . 1 . 1 29 29 PHE CA C 13 62.039 0.052 . 1 . . . . . 222 PHE CA . 50216 1 311 . 1 . 1 29 29 PHE CB C 13 39.650 0.025 . 1 . . . . . 222 PHE CB . 50216 1 312 . 1 . 1 29 29 PHE CD1 C 13 131.647 0.036 . 1 . . . . . 222 PHE CD1 . 50216 1 313 . 1 . 1 29 29 PHE CD2 C 13 131.647 0.036 . 1 . . . . . 222 PHE CD2 . 50216 1 314 . 1 . 1 29 29 PHE CE1 C 13 131.248 0.031 . 1 . . . . . 222 PHE CE1 . 50216 1 315 . 1 . 1 29 29 PHE CE2 C 13 131.248 0.031 . 1 . . . . . 222 PHE CE2 . 50216 1 316 . 1 . 1 29 29 PHE CZ C 13 129.588 0.008 . 1 . . . . . 222 PHE CZ . 50216 1 317 . 1 . 1 29 29 PHE N N 15 120.736 0.136 . 1 . . . . . 222 PHE N . 50216 1 318 . 1 . 1 30 30 ARG H H 1 8.259 0.009 . 1 . . . . . 223 ARG H . 50216 1 319 . 1 . 1 30 30 ARG HA H 1 3.880 0.006 . 1 . . . . . 223 ARG HA . 50216 1 320 . 1 . 1 30 30 ARG HB2 H 1 1.868 0.009 . 2 . . . . . 223 ARG HB2 . 50216 1 321 . 1 . 1 30 30 ARG HB3 H 1 2.030 0.008 . 2 . . . . . 223 ARG HB3 . 50216 1 322 . 1 . 1 30 30 ARG HG2 H 1 1.679 0.001 . 2 . . . . . 223 ARG HG2 . 50216 1 323 . 1 . 1 30 30 ARG HG3 H 1 1.952 0.007 . 2 . . . . . 223 ARG HG3 . 50216 1 324 . 1 . 1 30 30 ARG HD2 H 1 3.183 0.006 . 1 . . . . . 223 ARG HD2 . 50216 1 325 . 1 . 1 30 30 ARG HD3 H 1 3.183 0.006 . 1 . . . . . 223 ARG HD3 . 50216 1 326 . 1 . 1 30 30 ARG CA C 13 59.981 0.048 . 1 . . . . . 223 ARG CA . 50216 1 327 . 1 . 1 30 30 ARG CB C 13 30.193 0.028 . 1 . . . . . 223 ARG CB . 50216 1 328 . 1 . 1 30 30 ARG CG C 13 27.944 0.029 . 1 . . . . . 223 ARG CG . 50216 1 329 . 1 . 1 30 30 ARG CD C 13 43.804 0.033 . 1 . . . . . 223 ARG CD . 50216 1 330 . 1 . 1 30 30 ARG N N 15 118.913 0.125 . 1 . . . . . 223 ARG N . 50216 1 331 . 1 . 1 31 31 VAL H H 1 8.048 0.014 . 1 . . . . . 224 VAL H . 50216 1 332 . 1 . 1 31 31 VAL HA H 1 3.494 0.005 . 1 . . . . . 224 VAL HA . 50216 1 333 . 1 . 1 31 31 VAL HB H 1 2.007 0.006 . 1 . . . . . 224 VAL HB . 50216 1 334 . 1 . 1 31 31 VAL HG11 H 1 0.668 0.003 . 2 . . . . . 224 VAL HG11 . 50216 1 335 . 1 . 1 31 31 VAL HG12 H 1 0.668 0.003 . 2 . . . . . 224 VAL HG12 . 50216 1 336 . 1 . 1 31 31 VAL HG13 H 1 0.668 0.003 . 2 . . . . . 224 VAL HG13 . 50216 1 337 . 1 . 1 31 31 VAL HG21 H 1 0.823 0.007 . 2 . . . . . 224 VAL HG21 . 50216 1 338 . 1 . 1 31 31 VAL HG22 H 1 0.823 0.007 . 2 . . . . . 224 VAL HG22 . 50216 1 339 . 1 . 1 31 31 VAL HG23 H 1 0.823 0.007 . 2 . . . . . 224 VAL HG23 . 50216 1 340 . 1 . 1 31 31 VAL CA C 13 66.814 0.040 . 1 . . . . . 224 VAL CA . 50216 1 341 . 1 . 1 31 31 VAL CB C 13 32.139 0.041 . 1 . . . . . 224 VAL CB . 50216 1 342 . 1 . 1 31 31 VAL CG1 C 13 22.584 0.006 . 2 . . . . . 224 VAL CG1 . 50216 1 343 . 1 . 1 31 31 VAL CG2 C 13 21.252 0.050 . 2 . . . . . 224 VAL CG2 . 50216 1 344 . 1 . 1 31 31 VAL N N 15 120.243 0.100 . 1 . . . . . 224 VAL N . 50216 1 345 . 1 . 1 32 32 GLU H H 1 8.222 0.030 . 1 . . . . . 225 GLU H . 50216 1 346 . 1 . 1 32 32 GLU HA H 1 3.910 0.007 . 1 . . . . . 225 GLU HA . 50216 1 347 . 1 . 1 32 32 GLU HB2 H 1 1.800 0.012 . 2 . . . . . 225 GLU HB2 . 50216 1 348 . 1 . 1 32 32 GLU HB3 H 1 1.937 0.004 . 2 . . . . . 225 GLU HB3 . 50216 1 349 . 1 . 1 32 32 GLU HG2 H 1 2.226 0.006 . 2 . . . . . 225 GLU HG2 . 50216 1 350 . 1 . 1 32 32 GLU HG3 H 1 2.384 0.002 . 2 . . . . . 225 GLU HG3 . 50216 1 351 . 1 . 1 32 32 GLU CA C 13 58.347 0.062 . 1 . . . . . 225 GLU CA . 50216 1 352 . 1 . 1 32 32 GLU CB C 13 28.911 0.094 . 1 . . . . . 225 GLU CB . 50216 1 353 . 1 . 1 32 32 GLU CG C 13 36.467 0.044 . 1 . . . . . 225 GLU CG . 50216 1 354 . 1 . 1 32 32 GLU N N 15 119.803 0.096 . 1 . . . . . 225 GLU N . 50216 1 355 . 1 . 1 33 33 HIS H H 1 8.753 0.022 . 1 . . . . . 226 HIS H . 50216 1 356 . 1 . 1 33 33 HIS HA H 1 3.891 0.007 . 1 . . . . . 226 HIS HA . 50216 1 357 . 1 . 1 33 33 HIS HB2 H 1 2.899 0.002 . 2 . . . . . 226 HIS HB2 . 50216 1 358 . 1 . 1 33 33 HIS HB3 H 1 2.652 0.002 . 2 . . . . . 226 HIS HB3 . 50216 1 359 . 1 . 1 33 33 HIS HD2 H 1 6.748 0.002 . 1 . . . . . 226 HIS HD2 . 50216 1 360 . 1 . 1 33 33 HIS HE1 H 1 7.773 0.000 . 1 . . . . . 226 HIS HE1 . 50216 1 361 . 1 . 1 33 33 HIS CA C 13 60.731 0.049 . 1 . . . . . 226 HIS CA . 50216 1 362 . 1 . 1 33 33 HIS CB C 13 29.951 0.052 . 1 . . . . . 226 HIS CB . 50216 1 363 . 1 . 1 33 33 HIS CD2 C 13 119.470 0.023 . 1 . . . . . 226 HIS CD2 . 50216 1 364 . 1 . 1 33 33 HIS CE1 C 13 138.504 0.000 . 1 . . . . . 226 HIS CE1 . 50216 1 365 . 1 . 1 33 33 HIS N N 15 118.997 0.227 . 1 . . . . . 226 HIS N . 50216 1 366 . 1 . 1 34 34 ALA H H 1 7.424 0.011 . 1 . . . . . 227 ALA H . 50216 1 367 . 1 . 1 34 34 ALA HA H 1 4.103 0.013 . 1 . . . . . 227 ALA HA . 50216 1 368 . 1 . 1 34 34 ALA HB1 H 1 1.454 0.011 . 1 . . . . . 227 ALA HB1 . 50216 1 369 . 1 . 1 34 34 ALA HB2 H 1 1.454 0.011 . 1 . . . . . 227 ALA HB2 . 50216 1 370 . 1 . 1 34 34 ALA HB3 H 1 1.454 0.011 . 1 . . . . . 227 ALA HB3 . 50216 1 371 . 1 . 1 34 34 ALA CA C 13 54.940 0.077 . 1 . . . . . 227 ALA CA . 50216 1 372 . 1 . 1 34 34 ALA CB C 13 18.042 0.096 . 1 . . . . . 227 ALA CB . 50216 1 373 . 1 . 1 34 34 ALA N N 15 120.157 0.129 . 1 . . . . . 227 ALA N . 50216 1 374 . 1 . 1 35 35 VAL H H 1 7.905 0.039 . 1 . . . . . 228 VAL H . 50216 1 375 . 1 . 1 35 35 VAL HA H 1 3.486 0.016 . 1 . . . . . 228 VAL HA . 50216 1 376 . 1 . 1 35 35 VAL HB H 1 2.383 0.001 . 1 . . . . . 228 VAL HB . 50216 1 377 . 1 . 1 35 35 VAL HG11 H 1 0.973 0.007 . 2 . . . . . 228 VAL HG11 . 50216 1 378 . 1 . 1 35 35 VAL HG12 H 1 0.973 0.007 . 2 . . . . . 228 VAL HG12 . 50216 1 379 . 1 . 1 35 35 VAL HG13 H 1 0.973 0.007 . 2 . . . . . 228 VAL HG13 . 50216 1 380 . 1 . 1 35 35 VAL HG21 H 1 0.844 0.006 . 2 . . . . . 228 VAL HG21 . 50216 1 381 . 1 . 1 35 35 VAL HG22 H 1 0.844 0.006 . 2 . . . . . 228 VAL HG22 . 50216 1 382 . 1 . 1 35 35 VAL HG23 H 1 0.844 0.006 . 2 . . . . . 228 VAL HG23 . 50216 1 383 . 1 . 1 35 35 VAL CA C 13 66.676 0.093 . 1 . . . . . 228 VAL CA . 50216 1 384 . 1 . 1 35 35 VAL CB C 13 31.189 0.055 . 1 . . . . . 228 VAL CB . 50216 1 385 . 1 . 1 35 35 VAL CG1 C 13 22.445 0.014 . 2 . . . . . 228 VAL CG1 . 50216 1 386 . 1 . 1 35 35 VAL CG2 C 13 21.428 0.021 . 2 . . . . . 228 VAL CG2 . 50216 1 387 . 1 . 1 35 35 VAL N N 15 123.033 0.083 . 1 . . . . . 228 VAL N . 50216 1 388 . 1 . 1 36 36 ALA H H 1 8.378 0.045 . 1 . . . . . 229 ALA H . 50216 1 389 . 1 . 1 36 36 ALA HA H 1 3.798 0.005 . 1 . . . . . 229 ALA HA . 50216 1 390 . 1 . 1 36 36 ALA HB1 H 1 1.406 0.008 . 1 . . . . . 229 ALA HB1 . 50216 1 391 . 1 . 1 36 36 ALA HB2 H 1 1.406 0.008 . 1 . . . . . 229 ALA HB2 . 50216 1 392 . 1 . 1 36 36 ALA HB3 H 1 1.406 0.008 . 1 . . . . . 229 ALA HB3 . 50216 1 393 . 1 . 1 36 36 ALA CA C 13 56.025 0.034 . 1 . . . . . 229 ALA CA . 50216 1 394 . 1 . 1 36 36 ALA CB C 13 17.668 0.072 . 1 . . . . . 229 ALA CB . 50216 1 395 . 1 . 1 36 36 ALA N N 15 125.140 0.061 . 1 . . . . . 229 ALA N . 50216 1 396 . 1 . 1 37 37 GLU H H 1 8.360 0.044 . 1 . . . . . 230 GLU H . 50216 1 397 . 1 . 1 37 37 GLU HA H 1 3.779 0.014 . 1 . . . . . 230 GLU HA . 50216 1 398 . 1 . 1 37 37 GLU HB2 H 1 1.892 0.011 . 2 . . . . . 230 GLU HB2 . 50216 1 399 . 1 . 1 37 37 GLU HB3 H 1 1.921 0.005 . 2 . . . . . 230 GLU HB3 . 50216 1 400 . 1 . 1 37 37 GLU HG2 H 1 2.046 0.006 . 2 . . . . . 230 GLU HG2 . 50216 1 401 . 1 . 1 37 37 GLU HG3 H 1 2.024 0.007 . 2 . . . . . 230 GLU HG3 . 50216 1 402 . 1 . 1 37 37 GLU CA C 13 59.242 0.047 . 1 . . . . . 230 GLU CA . 50216 1 403 . 1 . 1 37 37 GLU CB C 13 29.694 0.043 . 1 . . . . . 230 GLU CB . 50216 1 404 . 1 . 1 37 37 GLU CG C 13 36.314 0.030 . 1 . . . . . 230 GLU CG . 50216 1 405 . 1 . 1 37 37 GLU N N 15 117.124 0.068 . 1 . . . . . 230 GLU N . 50216 1 406 . 1 . 1 38 38 GLY H H 1 8.022 0.020 . 1 . . . . . 231 GLY H . 50216 1 407 . 1 . 1 38 38 GLY HA2 H 1 3.865 0.008 . 1 . . . . . 231 GLY HA2 . 50216 1 408 . 1 . 1 38 38 GLY HA3 H 1 3.865 0.008 . 1 . . . . . 231 GLY HA3 . 50216 1 409 . 1 . 1 38 38 GLY CA C 13 47.178 0.072 . 1 . . . . . 231 GLY CA . 50216 1 410 . 1 . 1 38 38 GLY N N 15 107.059 0.145 . 1 . . . . . 231 GLY N . 50216 1 411 . 1 . 1 39 39 ALA H H 1 8.223 0.011 . 1 . . . . . 232 ALA H . 50216 1 412 . 1 . 1 39 39 ALA HA H 1 4.135 0.008 . 1 . . . . . 232 ALA HA . 50216 1 413 . 1 . 1 39 39 ALA HB1 H 1 1.434 0.008 . 1 . . . . . 232 ALA HB1 . 50216 1 414 . 1 . 1 39 39 ALA HB2 H 1 1.434 0.008 . 1 . . . . . 232 ALA HB2 . 50216 1 415 . 1 . 1 39 39 ALA HB3 H 1 1.434 0.008 . 1 . . . . . 232 ALA HB3 . 50216 1 416 . 1 . 1 39 39 ALA CA C 13 55.015 0.021 . 1 . . . . . 232 ALA CA . 50216 1 417 . 1 . 1 39 39 ALA CB C 13 17.882 0.089 . 1 . . . . . 232 ALA CB . 50216 1 418 . 1 . 1 39 39 ALA N N 15 125.196 0.058 . 1 . . . . . 232 ALA N . 50216 1 419 . 1 . 1 40 40 LYS H H 1 8.539 0.024 . 1 . . . . . 233 LYS H . 50216 1 420 . 1 . 1 40 40 LYS HA H 1 3.830 0.012 . 1 . . . . . 233 LYS HA . 50216 1 421 . 1 . 1 40 40 LYS HB2 H 1 1.886 0.004 . 2 . . . . . 233 LYS HB2 . 50216 1 422 . 1 . 1 40 40 LYS HB3 H 1 1.825 0.005 . 2 . . . . . 233 LYS HB3 . 50216 1 423 . 1 . 1 40 40 LYS HG2 H 1 1.599 0.006 . 2 . . . . . 233 LYS HG2 . 50216 1 424 . 1 . 1 40 40 LYS HG3 H 1 1.346 0.003 . 2 . . . . . 233 LYS HG3 . 50216 1 425 . 1 . 1 40 40 LYS HD2 H 1 1.615 0.007 . 1 . . . . . 233 LYS HD2 . 50216 1 426 . 1 . 1 40 40 LYS HD3 H 1 1.615 0.007 . 1 . . . . . 233 LYS HD3 . 50216 1 427 . 1 . 1 40 40 LYS HE2 H 1 2.863 0.005 . 2 . . . . . 233 LYS HE2 . 50216 1 428 . 1 . 1 40 40 LYS HE3 H 1 2.759 0.003 . 2 . . . . . 233 LYS HE3 . 50216 1 429 . 1 . 1 40 40 LYS CA C 13 60.130 0.027 . 1 . . . . . 233 LYS CA . 50216 1 430 . 1 . 1 40 40 LYS CB C 13 32.595 0.017 . 1 . . . . . 233 LYS CB . 50216 1 431 . 1 . 1 40 40 LYS CG C 13 26.010 0.042 . 1 . . . . . 233 LYS CG . 50216 1 432 . 1 . 1 40 40 LYS CD C 13 29.756 0.030 . 1 . . . . . 233 LYS CD . 50216 1 433 . 1 . 1 40 40 LYS CE C 13 42.070 0.015 . 1 . . . . . 233 LYS CE . 50216 1 434 . 1 . 1 40 40 LYS N N 15 119.047 0.040 . 1 . . . . . 233 LYS N . 50216 1 435 . 1 . 1 41 41 ASN H H 1 7.955 0.012 . 1 . . . . . 234 ASN H . 50216 1 436 . 1 . 1 41 41 ASN HA H 1 4.424 0.005 . 1 . . . . . 234 ASN HA . 50216 1 437 . 1 . 1 41 41 ASN HB2 H 1 2.947 0.002 . 2 . . . . . 234 ASN HB2 . 50216 1 438 . 1 . 1 41 41 ASN HB3 H 1 2.811 0.007 . 2 . . . . . 234 ASN HB3 . 50216 1 439 . 1 . 1 41 41 ASN HD21 H 1 7.030 0.005 . 1 . . . . . 234 ASN HD21 . 50216 1 440 . 1 . 1 41 41 ASN HD22 H 1 7.582 0.015 . 1 . . . . . 234 ASN HD22 . 50216 1 441 . 1 . 1 41 41 ASN CA C 13 56.455 0.049 . 1 . . . . . 234 ASN CA . 50216 1 442 . 1 . 1 41 41 ASN CB C 13 38.367 0.030 . 1 . . . . . 234 ASN CB . 50216 1 443 . 1 . 1 41 41 ASN N N 15 118.531 0.048 . 1 . . . . . 234 ASN N . 50216 1 444 . 1 . 1 41 41 ASN ND2 N 15 113.423 0.102 . 1 . . . . . 234 ASN ND2 . 50216 1 445 . 1 . 1 42 42 VAL H H 1 7.987 0.011 . 1 . . . . . 235 VAL H . 50216 1 446 . 1 . 1 42 42 VAL HA H 1 3.543 0.010 . 1 . . . . . 235 VAL HA . 50216 1 447 . 1 . 1 42 42 VAL HB H 1 2.093 0.003 . 1 . . . . . 235 VAL HB . 50216 1 448 . 1 . 1 42 42 VAL HG11 H 1 0.871 0.006 . 2 . . . . . 235 VAL HG11 . 50216 1 449 . 1 . 1 42 42 VAL HG12 H 1 0.871 0.006 . 2 . . . . . 235 VAL HG12 . 50216 1 450 . 1 . 1 42 42 VAL HG13 H 1 0.871 0.006 . 2 . . . . . 235 VAL HG13 . 50216 1 451 . 1 . 1 42 42 VAL HG21 H 1 1.026 0.007 . 2 . . . . . 235 VAL HG21 . 50216 1 452 . 1 . 1 42 42 VAL HG22 H 1 1.026 0.007 . 2 . . . . . 235 VAL HG22 . 50216 1 453 . 1 . 1 42 42 VAL HG23 H 1 1.026 0.007 . 2 . . . . . 235 VAL HG23 . 50216 1 454 . 1 . 1 42 42 VAL CA C 13 67.188 0.031 . 1 . . . . . 235 VAL CA . 50216 1 455 . 1 . 1 42 42 VAL CB C 13 32.043 0.134 . 1 . . . . . 235 VAL CB . 50216 1 456 . 1 . 1 42 42 VAL CG1 C 13 21.323 0.006 . 2 . . . . . 235 VAL CG1 . 50216 1 457 . 1 . 1 42 42 VAL CG2 C 13 23.587 0.016 . 2 . . . . . 235 VAL CG2 . 50216 1 458 . 1 . 1 42 42 VAL N N 15 120.478 0.105 . 1 . . . . . 235 VAL N . 50216 1 459 . 1 . 1 43 43 LEU H H 1 8.038 0.022 . 1 . . . . . 236 LEU H . 50216 1 460 . 1 . 1 43 43 LEU HA H 1 3.928 0.008 . 1 . . . . . 236 LEU HA . 50216 1 461 . 1 . 1 43 43 LEU HB2 H 1 1.578 0.007 . 2 . . . . . 236 LEU HB2 . 50216 1 462 . 1 . 1 43 43 LEU HB3 H 1 1.686 0.003 . 2 . . . . . 236 LEU HB3 . 50216 1 463 . 1 . 1 43 43 LEU HG H 1 1.574 0.007 . 1 . . . . . 236 LEU HG . 50216 1 464 . 1 . 1 43 43 LEU HD11 H 1 0.891 0.006 . 2 . . . . . 236 LEU HD11 . 50216 1 465 . 1 . 1 43 43 LEU HD12 H 1 0.891 0.006 . 2 . . . . . 236 LEU HD12 . 50216 1 466 . 1 . 1 43 43 LEU HD13 H 1 0.891 0.006 . 2 . . . . . 236 LEU HD13 . 50216 1 467 . 1 . 1 43 43 LEU HD21 H 1 0.840 0.009 . 2 . . . . . 236 LEU HD21 . 50216 1 468 . 1 . 1 43 43 LEU HD22 H 1 0.840 0.009 . 2 . . . . . 236 LEU HD22 . 50216 1 469 . 1 . 1 43 43 LEU HD23 H 1 0.840 0.009 . 2 . . . . . 236 LEU HD23 . 50216 1 470 . 1 . 1 43 43 LEU CA C 13 58.407 0.058 . 1 . . . . . 236 LEU CA . 50216 1 471 . 1 . 1 43 43 LEU CB C 13 41.898 0.031 . 1 . . . . . 236 LEU CB . 50216 1 472 . 1 . 1 43 43 LEU CG C 13 27.160 0.001 . 1 . . . . . 236 LEU CG . 50216 1 473 . 1 . 1 43 43 LEU CD1 C 13 26.005 0.044 . 2 . . . . . 236 LEU CD1 . 50216 1 474 . 1 . 1 43 43 LEU CD2 C 13 25.071 0.029 . 2 . . . . . 236 LEU CD2 . 50216 1 475 . 1 . 1 43 43 LEU N N 15 119.105 0.045 . 1 . . . . . 236 LEU N . 50216 1 476 . 1 . 1 44 44 ARG H H 1 8.126 0.007 . 1 . . . . . 237 ARG H . 50216 1 477 . 1 . 1 44 44 ARG HA H 1 3.975 0.003 . 1 . . . . . 237 ARG HA . 50216 1 478 . 1 . 1 44 44 ARG HB2 H 1 1.934 0.009 . 1 . . . . . 237 ARG HB2 . 50216 1 479 . 1 . 1 44 44 ARG HB3 H 1 1.934 0.009 . 1 . . . . . 237 ARG HB3 . 50216 1 480 . 1 . 1 44 44 ARG HG2 H 1 1.517 0.005 . 2 . . . . . 237 ARG HG2 . 50216 1 481 . 1 . 1 44 44 ARG HG3 H 1 1.696 0.010 . 2 . . . . . 237 ARG HG3 . 50216 1 482 . 1 . 1 44 44 ARG HD2 H 1 3.154 0.010 . 1 . . . . . 237 ARG HD2 . 50216 1 483 . 1 . 1 44 44 ARG HD3 H 1 3.154 0.010 . 1 . . . . . 237 ARG HD3 . 50216 1 484 . 1 . 1 44 44 ARG CA C 13 59.629 0.033 . 1 . . . . . 237 ARG CA . 50216 1 485 . 1 . 1 44 44 ARG CB C 13 30.062 0.051 . 1 . . . . . 237 ARG CB . 50216 1 486 . 1 . 1 44 44 ARG CG C 13 27.520 0.035 . 1 . . . . . 237 ARG CG . 50216 1 487 . 1 . 1 44 44 ARG CD C 13 43.403 0.054 . 1 . . . . . 237 ARG CD . 50216 1 488 . 1 . 1 44 44 ARG N N 15 120.388 0.072 . 1 . . . . . 237 ARG N . 50216 1 489 . 1 . 1 45 45 LEU H H 1 7.762 0.025 . 1 . . . . . 238 LEU H . 50216 1 490 . 1 . 1 45 45 LEU HA H 1 4.052 0.007 . 1 . . . . . 238 LEU HA . 50216 1 491 . 1 . 1 45 45 LEU HB2 H 1 1.458 0.008 . 2 . . . . . 238 LEU HB2 . 50216 1 492 . 1 . 1 45 45 LEU HB3 H 1 1.866 0.005 . 2 . . . . . 238 LEU HB3 . 50216 1 493 . 1 . 1 45 45 LEU HG H 1 1.700 0.003 . 1 . . . . . 238 LEU HG . 50216 1 494 . 1 . 1 45 45 LEU HD11 H 1 0.794 0.009 . 2 . . . . . 238 LEU HD11 . 50216 1 495 . 1 . 1 45 45 LEU HD12 H 1 0.794 0.009 . 2 . . . . . 238 LEU HD12 . 50216 1 496 . 1 . 1 45 45 LEU HD13 H 1 0.794 0.009 . 2 . . . . . 238 LEU HD13 . 50216 1 497 . 1 . 1 45 45 LEU HD21 H 1 0.806 0.005 . 2 . . . . . 238 LEU HD21 . 50216 1 498 . 1 . 1 45 45 LEU HD22 H 1 0.806 0.005 . 2 . . . . . 238 LEU HD22 . 50216 1 499 . 1 . 1 45 45 LEU HD23 H 1 0.806 0.005 . 2 . . . . . 238 LEU HD23 . 50216 1 500 . 1 . 1 45 45 LEU CA C 13 57.901 0.055 . 1 . . . . . 238 LEU CA . 50216 1 501 . 1 . 1 45 45 LEU CB C 13 42.279 0.027 . 1 . . . . . 238 LEU CB . 50216 1 502 . 1 . 1 45 45 LEU CG C 13 27.226 0.001 . 1 . . . . . 238 LEU CG . 50216 1 503 . 1 . 1 45 45 LEU CD1 C 13 25.824 0.039 . 2 . . . . . 238 LEU CD1 . 50216 1 504 . 1 . 1 45 45 LEU CD2 C 13 23.312 0.014 . 2 . . . . . 238 LEU CD2 . 50216 1 505 . 1 . 1 45 45 LEU N N 15 120.157 0.140 . 1 . . . . . 238 LEU N . 50216 1 506 . 1 . 1 46 46 LEU H H 1 8.593 0.025 . 1 . . . . . 239 LEU H . 50216 1 507 . 1 . 1 46 46 LEU HA H 1 4.027 0.005 . 1 . . . . . 239 LEU HA . 50216 1 508 . 1 . 1 46 46 LEU HB2 H 1 1.394 0.007 . 2 . . . . . 239 LEU HB2 . 50216 1 509 . 1 . 1 46 46 LEU HB3 H 1 1.833 0.012 . 2 . . . . . 239 LEU HB3 . 50216 1 510 . 1 . 1 46 46 LEU HG H 1 1.852 0.004 . 1 . . . . . 239 LEU HG . 50216 1 511 . 1 . 1 46 46 LEU HD11 H 1 0.676 0.004 . 2 . . . . . 239 LEU HD11 . 50216 1 512 . 1 . 1 46 46 LEU HD12 H 1 0.676 0.004 . 2 . . . . . 239 LEU HD12 . 50216 1 513 . 1 . 1 46 46 LEU HD13 H 1 0.676 0.004 . 2 . . . . . 239 LEU HD13 . 50216 1 514 . 1 . 1 46 46 LEU HD21 H 1 0.867 0.011 . 2 . . . . . 239 LEU HD21 . 50216 1 515 . 1 . 1 46 46 LEU HD22 H 1 0.867 0.011 . 2 . . . . . 239 LEU HD22 . 50216 1 516 . 1 . 1 46 46 LEU HD23 H 1 0.867 0.011 . 2 . . . . . 239 LEU HD23 . 50216 1 517 . 1 . 1 46 46 LEU CA C 13 57.867 0.068 . 1 . . . . . 239 LEU CA . 50216 1 518 . 1 . 1 46 46 LEU CB C 13 42.760 0.059 . 1 . . . . . 239 LEU CB . 50216 1 519 . 1 . 1 46 46 LEU CG C 13 26.866 0.021 . 1 . . . . . 239 LEU CG . 50216 1 520 . 1 . 1 46 46 LEU CD1 C 13 27.155 0.017 . 2 . . . . . 239 LEU CD1 . 50216 1 521 . 1 . 1 46 46 LEU CD2 C 13 22.918 0.011 . 2 . . . . . 239 LEU CD2 . 50216 1 522 . 1 . 1 46 46 LEU N N 15 119.565 0.032 . 1 . . . . . 239 LEU N . 50216 1 523 . 1 . 1 47 47 SER H H 1 8.061 0.005 . 1 . . . . . 240 SER H . 50216 1 524 . 1 . 1 47 47 SER HA H 1 4.134 0.005 . 1 . . . . . 240 SER HA . 50216 1 525 . 1 . 1 47 47 SER HB2 H 1 3.946 0.004 . 2 . . . . . 240 SER HB2 . 50216 1 526 . 1 . 1 47 47 SER HB3 H 1 3.875 0.000 . 2 . . . . . 240 SER HB3 . 50216 1 527 . 1 . 1 47 47 SER CA C 13 60.903 0.048 . 1 . . . . . 240 SER CA . 50216 1 528 . 1 . 1 47 47 SER CB C 13 63.287 0.067 . 1 . . . . . 240 SER CB . 50216 1 529 . 1 . 1 47 47 SER N N 15 112.026 0.100 . 1 . . . . . 240 SER N . 50216 1 530 . 1 . 1 48 48 ALA H H 1 7.223 0.008 . 1 . . . . . 241 ALA H . 50216 1 531 . 1 . 1 48 48 ALA HA H 1 4.306 0.003 . 1 . . . . . 241 ALA HA . 50216 1 532 . 1 . 1 48 48 ALA HB1 H 1 1.415 0.004 . 1 . . . . . 241 ALA HB1 . 50216 1 533 . 1 . 1 48 48 ALA HB2 H 1 1.415 0.004 . 1 . . . . . 241 ALA HB2 . 50216 1 534 . 1 . 1 48 48 ALA HB3 H 1 1.415 0.004 . 1 . . . . . 241 ALA HB3 . 50216 1 535 . 1 . 1 48 48 ALA CA C 13 51.990 0.023 . 1 . . . . . 241 ALA CA . 50216 1 536 . 1 . 1 48 48 ALA CB C 13 19.174 0.059 . 1 . . . . . 241 ALA CB . 50216 1 537 . 1 . 1 48 48 ALA N N 15 121.782 0.059 . 1 . . . . . 241 ALA N . 50216 1 538 . 1 . 1 49 49 ALA H H 1 6.977 0.022 . 1 . . . . . 242 ALA H . 50216 1 539 . 1 . 1 49 49 ALA HA H 1 4.017 0.006 . 1 . . . . . 242 ALA HA . 50216 1 540 . 1 . 1 49 49 ALA HB1 H 1 1.207 0.003 . 1 . . . . . 242 ALA HB1 . 50216 1 541 . 1 . 1 49 49 ALA HB2 H 1 1.207 0.003 . 1 . . . . . 242 ALA HB2 . 50216 1 542 . 1 . 1 49 49 ALA HB3 H 1 1.207 0.003 . 1 . . . . . 242 ALA HB3 . 50216 1 543 . 1 . 1 49 49 ALA CA C 13 51.916 0.031 . 1 . . . . . 242 ALA CA . 50216 1 544 . 1 . 1 49 49 ALA CB C 13 19.538 0.027 . 1 . . . . . 242 ALA CB . 50216 1 545 . 1 . 1 49 49 ALA N N 15 121.224 0.077 . 1 . . . . . 242 ALA N . 50216 1 546 . 1 . 1 50 50 LYS H H 1 8.278 0.012 . 1 . . . . . 243 LYS H . 50216 1 547 . 1 . 1 50 50 LYS HA H 1 3.945 0.004 . 1 . . . . . 243 LYS HA . 50216 1 548 . 1 . 1 50 50 LYS HB2 H 1 1.719 0.005 . 1 . . . . . 243 LYS HB2 . 50216 1 549 . 1 . 1 50 50 LYS HB3 H 1 1.719 0.005 . 1 . . . . . 243 LYS HB3 . 50216 1 550 . 1 . 1 50 50 LYS HG2 H 1 1.383 0.011 . 2 . . . . . 243 LYS HG2 . 50216 1 551 . 1 . 1 50 50 LYS HG3 H 1 1.436 0.009 . 2 . . . . . 243 LYS HG3 . 50216 1 552 . 1 . 1 50 50 LYS HD2 H 1 1.631 0.003 . 1 . . . . . 243 LYS HD2 . 50216 1 553 . 1 . 1 50 50 LYS HD3 H 1 1.631 0.003 . 1 . . . . . 243 LYS HD3 . 50216 1 554 . 1 . 1 50 50 LYS HE2 H 1 2.933 0.005 . 1 . . . . . 243 LYS HE2 . 50216 1 555 . 1 . 1 50 50 LYS HE3 H 1 2.933 0.005 . 1 . . . . . 243 LYS HE3 . 50216 1 556 . 1 . 1 50 50 LYS CA C 13 58.329 0.041 . 1 . . . . . 243 LYS CA . 50216 1 557 . 1 . 1 50 50 LYS CB C 13 32.187 0.013 . 1 . . . . . 243 LYS CB . 50216 1 558 . 1 . 1 50 50 LYS CG C 13 24.949 0.014 . 1 . . . . . 243 LYS CG . 50216 1 559 . 1 . 1 50 50 LYS CD C 13 29.027 0.017 . 1 . . . . . 243 LYS CD . 50216 1 560 . 1 . 1 50 50 LYS CE C 13 42.108 0.019 . 1 . . . . . 243 LYS CE . 50216 1 561 . 1 . 1 50 50 LYS N N 15 120.499 0.027 . 1 . . . . . 243 LYS N . 50216 1 562 . 1 . 1 51 51 ALA H H 1 8.051 0.018 . 1 . . . . . 244 ALA H . 50216 1 563 . 1 . 1 51 51 ALA HA H 1 4.693 0.006 . 1 . . . . . 244 ALA HA . 50216 1 564 . 1 . 1 51 51 ALA HB1 H 1 1.172 0.004 . 1 . . . . . 244 ALA HB1 . 50216 1 565 . 1 . 1 51 51 ALA HB2 H 1 1.172 0.004 . 1 . . . . . 244 ALA HB2 . 50216 1 566 . 1 . 1 51 51 ALA HB3 H 1 1.172 0.004 . 1 . . . . . 244 ALA HB3 . 50216 1 567 . 1 . 1 51 51 ALA CA C 13 49.391 0.048 . 1 . . . . . 244 ALA CA . 50216 1 568 . 1 . 1 51 51 ALA CB C 13 18.506 0.037 . 1 . . . . . 244 ALA CB . 50216 1 569 . 1 . 1 51 51 ALA N N 15 121.189 0.087 . 1 . . . . . 244 ALA N . 50216 1 570 . 1 . 1 52 52 PRO HA H 1 4.258 0.003 . 1 . . . . . 245 PRO HA . 50216 1 571 . 1 . 1 52 52 PRO HB2 H 1 1.619 0.003 . 2 . . . . . 245 PRO HB2 . 50216 1 572 . 1 . 1 52 52 PRO HB3 H 1 2.147 0.003 . 2 . . . . . 245 PRO HB3 . 50216 1 573 . 1 . 1 52 52 PRO HG2 H 1 1.891 0.010 . 2 . . . . . 245 PRO HG2 . 50216 1 574 . 1 . 1 52 52 PRO HG3 H 1 1.943 0.010 . 2 . . . . . 245 PRO HG3 . 50216 1 575 . 1 . 1 52 52 PRO HD2 H 1 3.481 0.003 . 1 . . . . . 245 PRO HD2 . 50216 1 576 . 1 . 1 52 52 PRO HD3 H 1 3.481 0.003 . 1 . . . . . 245 PRO HD3 . 50216 1 577 . 1 . 1 52 52 PRO CA C 13 63.001 0.032 . 1 . . . . . 245 PRO CA . 50216 1 578 . 1 . 1 52 52 PRO CB C 13 32.489 0.032 . 1 . . . . . 245 PRO CB . 50216 1 579 . 1 . 1 52 52 PRO CG C 13 27.197 0.018 . 1 . . . . . 245 PRO CG . 50216 1 580 . 1 . 1 52 52 PRO CD C 13 50.491 0.010 . 1 . . . . . 245 PRO CD . 50216 1 581 . 1 . 1 53 53 ASP H H 1 8.746 0.024 . 1 . . . . . 246 ASP H . 50216 1 582 . 1 . 1 53 53 ASP HA H 1 4.531 0.005 . 1 . . . . . 246 ASP HA . 50216 1 583 . 1 . 1 53 53 ASP HB2 H 1 2.568 0.003 . 2 . . . . . 246 ASP HB2 . 50216 1 584 . 1 . 1 53 53 ASP HB3 H 1 2.841 0.006 . 2 . . . . . 246 ASP HB3 . 50216 1 585 . 1 . 1 53 53 ASP CA C 13 53.257 0.053 . 1 . . . . . 246 ASP CA . 50216 1 586 . 1 . 1 53 53 ASP CB C 13 41.346 0.054 . 1 . . . . . 246 ASP CB . 50216 1 587 . 1 . 1 53 53 ASP N N 15 122.580 0.067 . 1 . . . . . 246 ASP N . 50216 1 588 . 1 . 1 54 54 ARG H H 1 8.539 0.008 . 1 . . . . . 247 ARG H . 50216 1 589 . 1 . 1 54 54 ARG HA H 1 3.806 0.005 . 1 . . . . . 247 ARG HA . 50216 1 590 . 1 . 1 54 54 ARG HB2 H 1 1.825 0.004 . 1 . . . . . 247 ARG HB2 . 50216 1 591 . 1 . 1 54 54 ARG HB3 H 1 1.825 0.004 . 1 . . . . . 247 ARG HB3 . 50216 1 592 . 1 . 1 54 54 ARG HG2 H 1 1.639 0.006 . 2 . . . . . 247 ARG HG2 . 50216 1 593 . 1 . 1 54 54 ARG HG3 H 1 1.726 0.008 . 2 . . . . . 247 ARG HG3 . 50216 1 594 . 1 . 1 54 54 ARG HD2 H 1 3.153 0.009 . 1 . . . . . 247 ARG HD2 . 50216 1 595 . 1 . 1 54 54 ARG HD3 H 1 3.153 0.009 . 1 . . . . . 247 ARG HD3 . 50216 1 596 . 1 . 1 54 54 ARG CA C 13 59.374 0.060 . 1 . . . . . 247 ARG CA . 50216 1 597 . 1 . 1 54 54 ARG CB C 13 29.848 0.080 . 1 . . . . . 247 ARG CB . 50216 1 598 . 1 . 1 54 54 ARG CG C 13 27.284 0.046 . 1 . . . . . 247 ARG CG . 50216 1 599 . 1 . 1 54 54 ARG CD C 13 43.243 0.057 . 1 . . . . . 247 ARG CD . 50216 1 600 . 1 . 1 54 54 ARG N N 15 125.433 0.086 . 1 . . . . . 247 ARG N . 50216 1 601 . 1 . 1 55 55 LYS H H 1 8.140 0.012 . 1 . . . . . 248 LYS H . 50216 1 602 . 1 . 1 55 55 LYS HA H 1 4.050 0.011 . 1 . . . . . 248 LYS HA . 50216 1 603 . 1 . 1 55 55 LYS HB2 H 1 1.825 0.022 . 2 . . . . . 248 LYS HB2 . 50216 1 604 . 1 . 1 55 55 LYS HB3 H 1 1.875 0.013 . 2 . . . . . 248 LYS HB3 . 50216 1 605 . 1 . 1 55 55 LYS HG2 H 1 1.402 0.008 . 2 . . . . . 248 LYS HG2 . 50216 1 606 . 1 . 1 55 55 LYS HG3 H 1 1.302 0.002 . 2 . . . . . 248 LYS HG3 . 50216 1 607 . 1 . 1 55 55 LYS HD2 H 1 1.631 0.005 . 1 . . . . . 248 LYS HD2 . 50216 1 608 . 1 . 1 55 55 LYS HD3 H 1 1.631 0.005 . 1 . . . . . 248 LYS HD3 . 50216 1 609 . 1 . 1 55 55 LYS HE2 H 1 2.918 0.012 . 1 . . . . . 248 LYS HE2 . 50216 1 610 . 1 . 1 55 55 LYS HE3 H 1 2.918 0.012 . 1 . . . . . 248 LYS HE3 . 50216 1 611 . 1 . 1 55 55 LYS CA C 13 59.213 0.083 . 1 . . . . . 248 LYS CA . 50216 1 612 . 1 . 1 55 55 LYS CB C 13 32.157 0.107 . 1 . . . . . 248 LYS CB . 50216 1 613 . 1 . 1 55 55 LYS CG C 13 24.850 0.020 . 1 . . . . . 248 LYS CG . 50216 1 614 . 1 . 1 55 55 LYS CD C 13 29.108 0.055 . 1 . . . . . 248 LYS CD . 50216 1 615 . 1 . 1 55 55 LYS CE C 13 42.154 0.000 . 1 . . . . . 248 LYS CE . 50216 1 616 . 1 . 1 55 55 LYS N N 15 120.668 0.054 . 1 . . . . . 248 LYS N . 50216 1 617 . 1 . 1 56 56 ALA H H 1 7.651 0.005 . 1 . . . . . 249 ALA H . 50216 1 618 . 1 . 1 56 56 ALA HA H 1 4.088 0.004 . 1 . . . . . 249 ALA HA . 50216 1 619 . 1 . 1 56 56 ALA HB1 H 1 1.426 0.005 . 1 . . . . . 249 ALA HB1 . 50216 1 620 . 1 . 1 56 56 ALA HB2 H 1 1.426 0.005 . 1 . . . . . 249 ALA HB2 . 50216 1 621 . 1 . 1 56 56 ALA HB3 H 1 1.426 0.005 . 1 . . . . . 249 ALA HB3 . 50216 1 622 . 1 . 1 56 56 ALA CA C 13 54.747 0.136 . 1 . . . . . 249 ALA CA . 50216 1 623 . 1 . 1 56 56 ALA CB C 13 18.415 0.073 . 1 . . . . . 249 ALA CB . 50216 1 624 . 1 . 1 56 56 ALA N N 15 122.670 0.042 . 1 . . . . . 249 ALA N . 50216 1 625 . 1 . 1 57 57 VAL H H 1 8.300 0.018 . 1 . . . . . 250 VAL H . 50216 1 626 . 1 . 1 57 57 VAL HA H 1 3.386 0.006 . 1 . . . . . 250 VAL HA . 50216 1 627 . 1 . 1 57 57 VAL HB H 1 1.980 0.006 . 1 . . . . . 250 VAL HB . 50216 1 628 . 1 . 1 57 57 VAL HG11 H 1 0.907 0.004 . 2 . . . . . 250 VAL HG11 . 50216 1 629 . 1 . 1 57 57 VAL HG12 H 1 0.907 0.004 . 2 . . . . . 250 VAL HG12 . 50216 1 630 . 1 . 1 57 57 VAL HG13 H 1 0.907 0.004 . 2 . . . . . 250 VAL HG13 . 50216 1 631 . 1 . 1 57 57 VAL HG21 H 1 0.801 0.005 . 2 . . . . . 250 VAL HG21 . 50216 1 632 . 1 . 1 57 57 VAL HG22 H 1 0.801 0.005 . 2 . . . . . 250 VAL HG22 . 50216 1 633 . 1 . 1 57 57 VAL HG23 H 1 0.801 0.005 . 2 . . . . . 250 VAL HG23 . 50216 1 634 . 1 . 1 57 57 VAL CA C 13 66.981 0.040 . 1 . . . . . 250 VAL CA . 50216 1 635 . 1 . 1 57 57 VAL CB C 13 32.130 0.039 . 1 . . . . . 250 VAL CB . 50216 1 636 . 1 . 1 57 57 VAL CG1 C 13 23.516 0.030 . 2 . . . . . 250 VAL CG1 . 50216 1 637 . 1 . 1 57 57 VAL CG2 C 13 21.110 0.029 . 2 . . . . . 250 VAL CG2 . 50216 1 638 . 1 . 1 57 57 VAL N N 15 118.963 0.058 . 1 . . . . . 250 VAL N . 50216 1 639 . 1 . 1 58 58 SER H H 1 8.028 0.010 . 1 . . . . . 251 SER H . 50216 1 640 . 1 . 1 58 58 SER HA H 1 4.156 0.003 . 1 . . . . . 251 SER HA . 50216 1 641 . 1 . 1 58 58 SER HB2 H 1 3.953 0.003 . 1 . . . . . 251 SER HB2 . 50216 1 642 . 1 . 1 58 58 SER HB3 H 1 3.953 0.003 . 1 . . . . . 251 SER HB3 . 50216 1 643 . 1 . 1 58 58 SER CA C 13 62.191 0.150 . 1 . . . . . 251 SER CA . 50216 1 644 . 1 . 1 58 58 SER CB C 13 62.758 0.089 . 1 . . . . . 251 SER CB . 50216 1 645 . 1 . 1 58 58 SER N N 15 114.681 0.066 . 1 . . . . . 251 SER N . 50216 1 646 . 1 . 1 59 59 GLU H H 1 8.168 0.012 . 1 . . . . . 252 GLU H . 50216 1 647 . 1 . 1 59 59 GLU HA H 1 4.003 0.005 . 1 . . . . . 252 GLU HA . 50216 1 648 . 1 . 1 59 59 GLU HB2 H 1 1.914 0.000 . 2 . . . . . 252 GLU HB2 . 50216 1 649 . 1 . 1 59 59 GLU HB3 H 1 2.033 0.002 . 2 . . . . . 252 GLU HB3 . 50216 1 650 . 1 . 1 59 59 GLU HG2 H 1 2.147 0.001 . 2 . . . . . 252 GLU HG2 . 50216 1 651 . 1 . 1 59 59 GLU HG3 H 1 2.425 0.000 . 2 . . . . . 252 GLU HG3 . 50216 1 652 . 1 . 1 59 59 GLU CA C 13 59.536 0.100 . 1 . . . . . 252 GLU CA . 50216 1 653 . 1 . 1 59 59 GLU CB C 13 29.722 0.081 . 1 . . . . . 252 GLU CB . 50216 1 654 . 1 . 1 59 59 GLU CG C 13 36.848 0.012 . 1 . . . . . 252 GLU CG . 50216 1 655 . 1 . 1 59 59 GLU N N 15 121.179 0.043 . 1 . . . . . 252 GLU N . 50216 1 656 . 1 . 1 60 60 ALA H H 1 7.879 0.008 . 1 . . . . . 253 ALA H . 50216 1 657 . 1 . 1 60 60 ALA HA H 1 4.135 0.005 . 1 . . . . . 253 ALA HA . 50216 1 658 . 1 . 1 60 60 ALA HB1 H 1 1.448 0.006 . 1 . . . . . 253 ALA HB1 . 50216 1 659 . 1 . 1 60 60 ALA HB2 H 1 1.448 0.006 . 1 . . . . . 253 ALA HB2 . 50216 1 660 . 1 . 1 60 60 ALA HB3 H 1 1.448 0.006 . 1 . . . . . 253 ALA HB3 . 50216 1 661 . 1 . 1 60 60 ALA CA C 13 55.183 0.031 . 1 . . . . . 253 ALA CA . 50216 1 662 . 1 . 1 60 60 ALA CB C 13 18.141 0.086 . 1 . . . . . 253 ALA CB . 50216 1 663 . 1 . 1 60 60 ALA N N 15 122.426 0.126 . 1 . . . . . 253 ALA N . 50216 1 664 . 1 . 1 61 61 GLN H H 1 8.739 0.006 . 1 . . . . . 254 GLN H . 50216 1 665 . 1 . 1 61 61 GLN HA H 1 3.953 0.005 . 1 . . . . . 254 GLN HA . 50216 1 666 . 1 . 1 61 61 GLN HB2 H 1 2.253 0.009 . 2 . . . . . 254 GLN HB2 . 50216 1 667 . 1 . 1 61 61 GLN HB3 H 1 2.100 0.004 . 2 . . . . . 254 GLN HB3 . 50216 1 668 . 1 . 1 61 61 GLN HG2 H 1 2.306 0.006 . 2 . . . . . 254 GLN HG2 . 50216 1 669 . 1 . 1 61 61 GLN HG3 H 1 2.397 0.002 . 2 . . . . . 254 GLN HG3 . 50216 1 670 . 1 . 1 61 61 GLN HE21 H 1 7.155 0.004 . 1 . . . . . 254 GLN HE21 . 50216 1 671 . 1 . 1 61 61 GLN HE22 H 1 6.684 0.005 . 1 . . . . . 254 GLN HE22 . 50216 1 672 . 1 . 1 61 61 GLN CA C 13 59.041 0.024 . 1 . . . . . 254 GLN CA . 50216 1 673 . 1 . 1 61 61 GLN CB C 13 28.418 0.038 . 1 . . . . . 254 GLN CB . 50216 1 674 . 1 . 1 61 61 GLN CG C 13 34.341 0.024 . 1 . . . . . 254 GLN CG . 50216 1 675 . 1 . 1 61 61 GLN N N 15 118.776 0.021 . 1 . . . . . 254 GLN N . 50216 1 676 . 1 . 1 61 61 GLN NE2 N 15 111.270 0.100 . 1 . . . . . 254 GLN NE2 . 50216 1 677 . 1 . 1 62 62 GLU H H 1 8.231 0.005 . 1 . . . . . 255 GLU H . 50216 1 678 . 1 . 1 62 62 GLU HA H 1 4.011 0.009 . 1 . . . . . 255 GLU HA . 50216 1 679 . 1 . 1 62 62 GLU HB2 H 1 2.134 0.001 . 2 . . . . . 255 GLU HB2 . 50216 1 680 . 1 . 1 62 62 GLU HB3 H 1 2.057 0.002 . 2 . . . . . 255 GLU HB3 . 50216 1 681 . 1 . 1 62 62 GLU HG2 H 1 2.384 0.004 . 2 . . . . . 255 GLU HG2 . 50216 1 682 . 1 . 1 62 62 GLU HG3 H 1 2.336 0.003 . 2 . . . . . 255 GLU HG3 . 50216 1 683 . 1 . 1 62 62 GLU CA C 13 59.719 0.061 . 1 . . . . . 255 GLU CA . 50216 1 684 . 1 . 1 62 62 GLU CB C 13 29.356 0.046 . 1 . . . . . 255 GLU CB . 50216 1 685 . 1 . 1 62 62 GLU CG C 13 36.450 0.038 . 1 . . . . . 255 GLU CG . 50216 1 686 . 1 . 1 62 62 GLU N N 15 120.711 0.021 . 1 . . . . . 255 GLU N . 50216 1 687 . 1 . 1 63 63 LYS H H 1 7.824 0.009 . 1 . . . . . 256 LYS H . 50216 1 688 . 1 . 1 63 63 LYS HA H 1 4.041 0.007 . 1 . . . . . 256 LYS HA . 50216 1 689 . 1 . 1 63 63 LYS HB2 H 1 1.785 0.006 . 2 . . . . . 256 LYS HB2 . 50216 1 690 . 1 . 1 63 63 LYS HB3 H 1 1.914 0.006 . 2 . . . . . 256 LYS HB3 . 50216 1 691 . 1 . 1 63 63 LYS HG2 H 1 1.488 0.009 . 2 . . . . . 256 LYS HG2 . 50216 1 692 . 1 . 1 63 63 LYS HG3 H 1 1.441 0.006 . 2 . . . . . 256 LYS HG3 . 50216 1 693 . 1 . 1 63 63 LYS HD2 H 1 1.608 0.009 . 2 . . . . . 256 LYS HD2 . 50216 1 694 . 1 . 1 63 63 LYS HD3 H 1 1.643 0.005 . 2 . . . . . 256 LYS HD3 . 50216 1 695 . 1 . 1 63 63 LYS HE2 H 1 2.878 0.008 . 1 . . . . . 256 LYS HE2 . 50216 1 696 . 1 . 1 63 63 LYS HE3 H 1 2.878 0.008 . 1 . . . . . 256 LYS HE3 . 50216 1 697 . 1 . 1 63 63 LYS CA C 13 58.807 0.159 . 1 . . . . . 256 LYS CA . 50216 1 698 . 1 . 1 63 63 LYS CB C 13 32.074 0.036 . 1 . . . . . 256 LYS CB . 50216 1 699 . 1 . 1 63 63 LYS CG C 13 24.924 0.036 . 1 . . . . . 256 LYS CG . 50216 1 700 . 1 . 1 63 63 LYS CD C 13 28.643 0.015 . 1 . . . . . 256 LYS CD . 50216 1 701 . 1 . 1 63 63 LYS CE C 13 42.169 0.012 . 1 . . . . . 256 LYS CE . 50216 1 702 . 1 . 1 63 63 LYS N N 15 119.181 0.102 . 1 . . . . . 256 LYS N . 50216 1 703 . 1 . 1 64 64 LEU H H 1 8.031 0.012 . 1 . . . . . 257 LEU H . 50216 1 704 . 1 . 1 64 64 LEU HA H 1 3.940 0.006 . 1 . . . . . 257 LEU HA . 50216 1 705 . 1 . 1 64 64 LEU HB2 H 1 2.053 0.009 . 2 . . . . . 257 LEU HB2 . 50216 1 706 . 1 . 1 64 64 LEU HB3 H 1 1.256 0.007 . 2 . . . . . 257 LEU HB3 . 50216 1 707 . 1 . 1 64 64 LEU HG H 1 1.517 0.006 . 1 . . . . . 257 LEU HG . 50216 1 708 . 1 . 1 64 64 LEU HD11 H 1 0.935 0.007 . 2 . . . . . 257 LEU HD11 . 50216 1 709 . 1 . 1 64 64 LEU HD12 H 1 0.935 0.007 . 2 . . . . . 257 LEU HD12 . 50216 1 710 . 1 . 1 64 64 LEU HD13 H 1 0.935 0.007 . 2 . . . . . 257 LEU HD13 . 50216 1 711 . 1 . 1 64 64 LEU HD21 H 1 0.816 0.005 . 2 . . . . . 257 LEU HD21 . 50216 1 712 . 1 . 1 64 64 LEU HD22 H 1 0.816 0.005 . 2 . . . . . 257 LEU HD22 . 50216 1 713 . 1 . 1 64 64 LEU HD23 H 1 0.816 0.005 . 2 . . . . . 257 LEU HD23 . 50216 1 714 . 1 . 1 64 64 LEU CA C 13 58.214 0.100 . 1 . . . . . 257 LEU CA . 50216 1 715 . 1 . 1 64 64 LEU CB C 13 41.881 0.033 . 1 . . . . . 257 LEU CB . 50216 1 716 . 1 . 1 64 64 LEU CG C 13 27.252 0.046 . 1 . . . . . 257 LEU CG . 50216 1 717 . 1 . 1 64 64 LEU CD1 C 13 23.993 0.033 . 2 . . . . . 257 LEU CD1 . 50216 1 718 . 1 . 1 64 64 LEU CD2 C 13 27.095 0.050 . 2 . . . . . 257 LEU CD2 . 50216 1 719 . 1 . 1 64 64 LEU N N 15 121.144 0.078 . 1 . . . . . 257 LEU N . 50216 1 720 . 1 . 1 65 65 THR H H 1 8.584 0.006 . 1 . . . . . 258 THR H . 50216 1 721 . 1 . 1 65 65 THR HA H 1 3.842 0.005 . 1 . . . . . 258 THR HA . 50216 1 722 . 1 . 1 65 65 THR HB H 1 4.238 0.004 . 1 . . . . . 258 THR HB . 50216 1 723 . 1 . 1 65 65 THR HG21 H 1 1.192 0.005 . 1 . . . . . 258 THR HG21 . 50216 1 724 . 1 . 1 65 65 THR HG22 H 1 1.192 0.005 . 1 . . . . . 258 THR HG22 . 50216 1 725 . 1 . 1 65 65 THR HG23 H 1 1.192 0.005 . 1 . . . . . 258 THR HG23 . 50216 1 726 . 1 . 1 65 65 THR CA C 13 66.982 0.056 . 1 . . . . . 258 THR CA . 50216 1 727 . 1 . 1 65 65 THR CB C 13 68.835 0.107 . 1 . . . . . 258 THR CB . 50216 1 728 . 1 . 1 65 65 THR CG2 C 13 21.852 0.004 . 1 . . . . . 258 THR CG2 . 50216 1 729 . 1 . 1 65 65 THR N N 15 116.674 0.029 . 1 . . . . . 258 THR N . 50216 1 730 . 1 . 1 66 66 GLU H H 1 8.139 0.020 . 1 . . . . . 259 GLU H . 50216 1 731 . 1 . 1 66 66 GLU HA H 1 4.008 0.008 . 1 . . . . . 259 GLU HA . 50216 1 732 . 1 . 1 66 66 GLU HB2 H 1 2.104 0.007 . 2 . . . . . 259 GLU HB2 . 50216 1 733 . 1 . 1 66 66 GLU HB3 H 1 2.035 0.003 . 2 . . . . . 259 GLU HB3 . 50216 1 734 . 1 . 1 66 66 GLU HG2 H 1 2.336 0.002 . 2 . . . . . 259 GLU HG2 . 50216 1 735 . 1 . 1 66 66 GLU HG3 H 1 2.335 0.001 . 2 . . . . . 259 GLU HG3 . 50216 1 736 . 1 . 1 66 66 GLU CA C 13 59.544 0.044 . 1 . . . . . 259 GLU CA . 50216 1 737 . 1 . 1 66 66 GLU CB C 13 29.775 0.068 . 1 . . . . . 259 GLU CB . 50216 1 738 . 1 . 1 66 66 GLU CG C 13 36.466 0.033 . 1 . . . . . 259 GLU CG . 50216 1 739 . 1 . 1 66 66 GLU N N 15 121.281 0.026 . 1 . . . . . 259 GLU N . 50216 1 740 . 1 . 1 67 67 SER H H 1 8.029 0.008 . 1 . . . . . 260 SER H . 50216 1 741 . 1 . 1 67 67 SER HA H 1 4.292 0.005 . 1 . . . . . 260 SER HA . 50216 1 742 . 1 . 1 67 67 SER HB2 H 1 3.849 0.006 . 2 . . . . . 260 SER HB2 . 50216 1 743 . 1 . 1 67 67 SER HB3 H 1 3.767 0.003 . 2 . . . . . 260 SER HB3 . 50216 1 744 . 1 . 1 67 67 SER CA C 13 61.985 0.070 . 1 . . . . . 260 SER CA . 50216 1 745 . 1 . 1 67 67 SER CB C 13 63.619 0.054 . 1 . . . . . 260 SER CB . 50216 1 746 . 1 . 1 67 67 SER N N 15 115.696 0.071 . 1 . . . . . 260 SER N . 50216 1 747 . 1 . 1 68 68 ASN H H 1 8.779 0.010 . 1 . . . . . 261 ASN H . 50216 1 748 . 1 . 1 68 68 ASN HA H 1 4.507 0.006 . 1 . . . . . 261 ASN HA . 50216 1 749 . 1 . 1 68 68 ASN HB2 H 1 2.665 0.004 . 2 . . . . . 261 ASN HB2 . 50216 1 750 . 1 . 1 68 68 ASN HB3 H 1 2.892 0.006 . 2 . . . . . 261 ASN HB3 . 50216 1 751 . 1 . 1 68 68 ASN HD21 H 1 6.409 0.006 . 1 . . . . . 261 ASN HD21 . 50216 1 752 . 1 . 1 68 68 ASN HD22 H 1 7.329 0.010 . 1 . . . . . 261 ASN HD22 . 50216 1 753 . 1 . 1 68 68 ASN CA C 13 56.009 0.041 . 1 . . . . . 261 ASN CA . 50216 1 754 . 1 . 1 68 68 ASN CB C 13 37.733 0.021 . 1 . . . . . 261 ASN CB . 50216 1 755 . 1 . 1 68 68 ASN N N 15 118.152 0.090 . 1 . . . . . 261 ASN N . 50216 1 756 . 1 . 1 68 68 ASN ND2 N 15 108.544 0.041 . 1 . . . . . 261 ASN ND2 . 50216 1 757 . 1 . 1 69 69 GLN H H 1 8.085 0.011 . 1 . . . . . 262 GLN H . 50216 1 758 . 1 . 1 69 69 GLN HA H 1 4.107 0.004 . 1 . . . . . 262 GLN HA . 50216 1 759 . 1 . 1 69 69 GLN HB2 H 1 2.168 0.008 . 2 . . . . . 262 GLN HB2 . 50216 1 760 . 1 . 1 69 69 GLN HB3 H 1 2.231 0.001 . 2 . . . . . 262 GLN HB3 . 50216 1 761 . 1 . 1 69 69 GLN HG2 H 1 2.508 0.005 . 2 . . . . . 262 GLN HG2 . 50216 1 762 . 1 . 1 69 69 GLN HG3 H 1 2.326 0.003 . 2 . . . . . 262 GLN HG3 . 50216 1 763 . 1 . 1 69 69 GLN HE21 H 1 7.319 0.006 . 1 . . . . . 262 GLN HE21 . 50216 1 764 . 1 . 1 69 69 GLN HE22 H 1 6.754 0.006 . 1 . . . . . 262 GLN HE22 . 50216 1 765 . 1 . 1 69 69 GLN CA C 13 59.166 0.064 . 1 . . . . . 262 GLN CA . 50216 1 766 . 1 . 1 69 69 GLN CB C 13 28.129 0.034 . 1 . . . . . 262 GLN CB . 50216 1 767 . 1 . 1 69 69 GLN CG C 13 34.072 0.019 . 1 . . . . . 262 GLN CG . 50216 1 768 . 1 . 1 69 69 GLN N N 15 121.258 0.072 . 1 . . . . . 262 GLN N . 50216 1 769 . 1 . 1 69 69 GLN NE2 N 15 110.624 0.159 . 1 . . . . . 262 GLN NE2 . 50216 1 770 . 1 . 1 70 70 LYS H H 1 7.900 0.010 . 1 . . . . . 263 LYS H . 50216 1 771 . 1 . 1 70 70 LYS HA H 1 3.941 0.006 . 1 . . . . . 263 LYS HA . 50216 1 772 . 1 . 1 70 70 LYS HB2 H 1 1.976 0.003 . 2 . . . . . 263 LYS HB2 . 50216 1 773 . 1 . 1 70 70 LYS HB3 H 1 1.749 0.007 . 2 . . . . . 263 LYS HB3 . 50216 1 774 . 1 . 1 70 70 LYS HG2 H 1 1.614 0.005 . 2 . . . . . 263 LYS HG2 . 50216 1 775 . 1 . 1 70 70 LYS HG3 H 1 1.346 0.008 . 2 . . . . . 263 LYS HG3 . 50216 1 776 . 1 . 1 70 70 LYS HD2 H 1 1.611 0.003 . 1 . . . . . 263 LYS HD2 . 50216 1 777 . 1 . 1 70 70 LYS HD3 H 1 1.611 0.003 . 1 . . . . . 263 LYS HD3 . 50216 1 778 . 1 . 1 70 70 LYS HE2 H 1 2.833 0.007 . 1 . . . . . 263 LYS HE2 . 50216 1 779 . 1 . 1 70 70 LYS HE3 H 1 2.833 0.007 . 1 . . . . . 263 LYS HE3 . 50216 1 780 . 1 . 1 70 70 LYS CA C 13 60.186 0.094 . 1 . . . . . 263 LYS CA . 50216 1 781 . 1 . 1 70 70 LYS CB C 13 32.710 0.034 . 1 . . . . . 263 LYS CB . 50216 1 782 . 1 . 1 70 70 LYS CG C 13 25.784 0.061 . 1 . . . . . 263 LYS CG . 50216 1 783 . 1 . 1 70 70 LYS CD C 13 29.434 0.028 . 1 . . . . . 263 LYS CD . 50216 1 784 . 1 . 1 70 70 LYS CE C 13 42.122 0.009 . 1 . . . . . 263 LYS CE . 50216 1 785 . 1 . 1 70 70 LYS N N 15 121.269 0.060 . 1 . . . . . 263 LYS N . 50216 1 786 . 1 . 1 71 71 LEU H H 1 9.116 0.009 . 1 . . . . . 264 LEU H . 50216 1 787 . 1 . 1 71 71 LEU HA H 1 3.946 0.007 . 1 . . . . . 264 LEU HA . 50216 1 788 . 1 . 1 71 71 LEU HB2 H 1 1.555 0.009 . 2 . . . . . 264 LEU HB2 . 50216 1 789 . 1 . 1 71 71 LEU HB3 H 1 1.826 0.005 . 2 . . . . . 264 LEU HB3 . 50216 1 790 . 1 . 1 71 71 LEU HG H 1 1.571 0.006 . 1 . . . . . 264 LEU HG . 50216 1 791 . 1 . 1 71 71 LEU HD11 H 1 0.557 0.006 . 2 . . . . . 264 LEU HD11 . 50216 1 792 . 1 . 1 71 71 LEU HD12 H 1 0.557 0.006 . 2 . . . . . 264 LEU HD12 . 50216 1 793 . 1 . 1 71 71 LEU HD13 H 1 0.557 0.006 . 2 . . . . . 264 LEU HD13 . 50216 1 794 . 1 . 1 71 71 LEU HD21 H 1 0.460 0.005 . 2 . . . . . 264 LEU HD21 . 50216 1 795 . 1 . 1 71 71 LEU HD22 H 1 0.460 0.005 . 2 . . . . . 264 LEU HD22 . 50216 1 796 . 1 . 1 71 71 LEU HD23 H 1 0.460 0.005 . 2 . . . . . 264 LEU HD23 . 50216 1 797 . 1 . 1 71 71 LEU CA C 13 58.380 0.057 . 1 . . . . . 264 LEU CA . 50216 1 798 . 1 . 1 71 71 LEU CB C 13 42.313 0.032 . 1 . . . . . 264 LEU CB . 50216 1 799 . 1 . 1 71 71 LEU CG C 13 26.739 0.021 . 1 . . . . . 264 LEU CG . 50216 1 800 . 1 . 1 71 71 LEU CD1 C 13 25.496 0.029 . 2 . . . . . 264 LEU CD1 . 50216 1 801 . 1 . 1 71 71 LEU CD2 C 13 24.981 0.007 . 2 . . . . . 264 LEU CD2 . 50216 1 802 . 1 . 1 71 71 LEU N N 15 120.375 0.015 . 1 . . . . . 264 LEU N . 50216 1 803 . 1 . 1 72 72 GLY H H 1 8.004 0.013 . 1 . . . . . 265 GLY H . 50216 1 804 . 1 . 1 72 72 GLY HA2 H 1 3.974 0.001 . 2 . . . . . 265 GLY HA2 . 50216 1 805 . 1 . 1 72 72 GLY HA3 H 1 3.867 0.010 . 2 . . . . . 265 GLY HA3 . 50216 1 806 . 1 . 1 72 72 GLY CA C 13 47.450 0.048 . 1 . . . . . 265 GLY CA . 50216 1 807 . 1 . 1 72 72 GLY N N 15 105.961 0.105 . 1 . . . . . 265 GLY N . 50216 1 808 . 1 . 1 73 73 LEU H H 1 7.466 0.006 . 1 . . . . . 266 LEU H . 50216 1 809 . 1 . 1 73 73 LEU HA H 1 4.171 0.003 . 1 . . . . . 266 LEU HA . 50216 1 810 . 1 . 1 73 73 LEU HB2 H 1 1.914 0.003 . 2 . . . . . 266 LEU HB2 . 50216 1 811 . 1 . 1 73 73 LEU HB3 H 1 1.521 0.006 . 2 . . . . . 266 LEU HB3 . 50216 1 812 . 1 . 1 73 73 LEU HG H 1 1.776 0.007 . 1 . . . . . 266 LEU HG . 50216 1 813 . 1 . 1 73 73 LEU HD11 H 1 0.844 0.008 . 2 . . . . . 266 LEU HD11 . 50216 1 814 . 1 . 1 73 73 LEU HD12 H 1 0.844 0.008 . 2 . . . . . 266 LEU HD12 . 50216 1 815 . 1 . 1 73 73 LEU HD13 H 1 0.844 0.008 . 2 . . . . . 266 LEU HD13 . 50216 1 816 . 1 . 1 73 73 LEU HD21 H 1 0.866 0.009 . 2 . . . . . 266 LEU HD21 . 50216 1 817 . 1 . 1 73 73 LEU HD22 H 1 0.866 0.009 . 2 . . . . . 266 LEU HD22 . 50216 1 818 . 1 . 1 73 73 LEU HD23 H 1 0.866 0.009 . 2 . . . . . 266 LEU HD23 . 50216 1 819 . 1 . 1 73 73 LEU CA C 13 57.974 0.059 . 1 . . . . . 266 LEU CA . 50216 1 820 . 1 . 1 73 73 LEU CB C 13 42.075 0.027 . 1 . . . . . 266 LEU CB . 50216 1 821 . 1 . 1 73 73 LEU CG C 13 26.973 0.023 . 1 . . . . . 266 LEU CG . 50216 1 822 . 1 . 1 73 73 LEU CD1 C 13 23.065 0.027 . 2 . . . . . 266 LEU CD1 . 50216 1 823 . 1 . 1 73 73 LEU CD2 C 13 25.614 0.024 . 2 . . . . . 266 LEU CD2 . 50216 1 824 . 1 . 1 73 73 LEU N N 15 122.101 0.007 . 1 . . . . . 266 LEU N . 50216 1 825 . 1 . 1 74 74 LEU H H 1 8.287 0.018 . 1 . . . . . 267 LEU H . 50216 1 826 . 1 . 1 74 74 LEU HA H 1 4.100 0.009 . 1 . . . . . 267 LEU HA . 50216 1 827 . 1 . 1 74 74 LEU HB2 H 1 1.372 0.008 . 2 . . . . . 267 LEU HB2 . 50216 1 828 . 1 . 1 74 74 LEU HB3 H 1 2.234 0.006 . 2 . . . . . 267 LEU HB3 . 50216 1 829 . 1 . 1 74 74 LEU HG H 1 1.834 0.012 . 1 . . . . . 267 LEU HG . 50216 1 830 . 1 . 1 74 74 LEU HD11 H 1 0.797 0.009 . 2 . . . . . 267 LEU HD11 . 50216 1 831 . 1 . 1 74 74 LEU HD12 H 1 0.797 0.009 . 2 . . . . . 267 LEU HD12 . 50216 1 832 . 1 . 1 74 74 LEU HD13 H 1 0.797 0.009 . 2 . . . . . 267 LEU HD13 . 50216 1 833 . 1 . 1 74 74 LEU HD21 H 1 0.945 0.004 . 2 . . . . . 267 LEU HD21 . 50216 1 834 . 1 . 1 74 74 LEU HD22 H 1 0.945 0.004 . 2 . . . . . 267 LEU HD22 . 50216 1 835 . 1 . 1 74 74 LEU HD23 H 1 0.945 0.004 . 2 . . . . . 267 LEU HD23 . 50216 1 836 . 1 . 1 74 74 LEU CA C 13 58.084 0.069 . 1 . . . . . 267 LEU CA . 50216 1 837 . 1 . 1 74 74 LEU CB C 13 43.719 0.053 . 1 . . . . . 267 LEU CB . 50216 1 838 . 1 . 1 74 74 LEU CG C 13 27.317 0.004 . 1 . . . . . 267 LEU CG . 50216 1 839 . 1 . 1 74 74 LEU CD1 C 13 26.023 0.033 . 2 . . . . . 267 LEU CD1 . 50216 1 840 . 1 . 1 74 74 LEU CD2 C 13 23.635 0.031 . 2 . . . . . 267 LEU CD2 . 50216 1 841 . 1 . 1 74 74 LEU N N 15 121.789 0.035 . 1 . . . . . 267 LEU N . 50216 1 842 . 1 . 1 75 75 ARG H H 1 8.851 0.011 . 1 . . . . . 268 ARG H . 50216 1 843 . 1 . 1 75 75 ARG HA H 1 3.676 0.008 . 1 . . . . . 268 ARG HA . 50216 1 844 . 1 . 1 75 75 ARG HB2 H 1 2.039 0.008 . 1 . . . . . 268 ARG HB2 . 50216 1 845 . 1 . 1 75 75 ARG HB3 H 1 2.039 0.008 . 1 . . . . . 268 ARG HB3 . 50216 1 846 . 1 . 1 75 75 ARG HG2 H 1 1.590 0.002 . 2 . . . . . 268 ARG HG2 . 50216 1 847 . 1 . 1 75 75 ARG HG3 H 1 1.506 0.005 . 2 . . . . . 268 ARG HG3 . 50216 1 848 . 1 . 1 75 75 ARG HD2 H 1 3.240 0.007 . 2 . . . . . 268 ARG HD2 . 50216 1 849 . 1 . 1 75 75 ARG HD3 H 1 3.206 0.007 . 2 . . . . . 268 ARG HD3 . 50216 1 850 . 1 . 1 75 75 ARG HE H 1 7.136 0.002 . 1 . . . . . 268 ARG HE . 50216 1 851 . 1 . 1 75 75 ARG CA C 13 60.279 0.067 . 1 . . . . . 268 ARG CA . 50216 1 852 . 1 . 1 75 75 ARG CB C 13 30.140 0.045 . 1 . . . . . 268 ARG CB . 50216 1 853 . 1 . 1 75 75 ARG CG C 13 28.284 0.045 . 1 . . . . . 268 ARG CG . 50216 1 854 . 1 . 1 75 75 ARG CD C 13 43.401 0.013 . 1 . . . . . 268 ARG CD . 50216 1 855 . 1 . 1 75 75 ARG N N 15 119.496 0.054 . 1 . . . . . 268 ARG N . 50216 1 856 . 1 . 1 76 76 GLU H H 1 7.807 0.008 . 1 . . . . . 269 GLU H . 50216 1 857 . 1 . 1 76 76 GLU HA H 1 3.996 0.005 . 1 . . . . . 269 GLU HA . 50216 1 858 . 1 . 1 76 76 GLU HB2 H 1 2.046 0.010 . 2 . . . . . 269 GLU HB2 . 50216 1 859 . 1 . 1 76 76 GLU HB3 H 1 2.100 0.011 . 2 . . . . . 269 GLU HB3 . 50216 1 860 . 1 . 1 76 76 GLU HG2 H 1 2.415 0.010 . 2 . . . . . 269 GLU HG2 . 50216 1 861 . 1 . 1 76 76 GLU HG3 H 1 2.180 0.001 . 2 . . . . . 269 GLU HG3 . 50216 1 862 . 1 . 1 76 76 GLU CA C 13 59.536 0.078 . 1 . . . . . 269 GLU CA . 50216 1 863 . 1 . 1 76 76 GLU CB C 13 29.613 0.050 . 1 . . . . . 269 GLU CB . 50216 1 864 . 1 . 1 76 76 GLU CG C 13 36.562 0.014 . 1 . . . . . 269 GLU CG . 50216 1 865 . 1 . 1 76 76 GLU N N 15 117.712 0.034 . 1 . . . . . 269 GLU N . 50216 1 866 . 1 . 1 77 77 ALA H H 1 7.804 0.009 . 1 . . . . . 270 ALA H . 50216 1 867 . 1 . 1 77 77 ALA HA H 1 4.040 0.005 . 1 . . . . . 270 ALA HA . 50216 1 868 . 1 . 1 77 77 ALA HB1 H 1 1.532 0.002 . 1 . . . . . 270 ALA HB1 . 50216 1 869 . 1 . 1 77 77 ALA HB2 H 1 1.532 0.002 . 1 . . . . . 270 ALA HB2 . 50216 1 870 . 1 . 1 77 77 ALA HB3 H 1 1.532 0.002 . 1 . . . . . 270 ALA HB3 . 50216 1 871 . 1 . 1 77 77 ALA CA C 13 55.258 0.029 . 1 . . . . . 270 ALA CA . 50216 1 872 . 1 . 1 77 77 ALA CB C 13 18.828 0.043 . 1 . . . . . 270 ALA CB . 50216 1 873 . 1 . 1 77 77 ALA N N 15 121.579 0.029 . 1 . . . . . 270 ALA N . 50216 1 874 . 1 . 1 78 78 LEU H H 1 8.491 0.007 . 1 . . . . . 271 LEU H . 50216 1 875 . 1 . 1 78 78 LEU HA H 1 3.775 0.002 . 1 . . . . . 271 LEU HA . 50216 1 876 . 1 . 1 78 78 LEU HB2 H 1 1.843 0.006 . 2 . . . . . 271 LEU HB2 . 50216 1 877 . 1 . 1 78 78 LEU HB3 H 1 1.286 0.007 . 2 . . . . . 271 LEU HB3 . 50216 1 878 . 1 . 1 78 78 LEU HG H 1 1.519 0.006 . 1 . . . . . 271 LEU HG . 50216 1 879 . 1 . 1 78 78 LEU HD11 H 1 0.524 0.008 . 2 . . . . . 271 LEU HD11 . 50216 1 880 . 1 . 1 78 78 LEU HD12 H 1 0.524 0.008 . 2 . . . . . 271 LEU HD12 . 50216 1 881 . 1 . 1 78 78 LEU HD13 H 1 0.524 0.008 . 2 . . . . . 271 LEU HD13 . 50216 1 882 . 1 . 1 78 78 LEU HD21 H 1 0.745 0.012 . 2 . . . . . 271 LEU HD21 . 50216 1 883 . 1 . 1 78 78 LEU HD22 H 1 0.745 0.012 . 2 . . . . . 271 LEU HD22 . 50216 1 884 . 1 . 1 78 78 LEU HD23 H 1 0.745 0.012 . 2 . . . . . 271 LEU HD23 . 50216 1 885 . 1 . 1 78 78 LEU CA C 13 58.515 0.037 . 1 . . . . . 271 LEU CA . 50216 1 886 . 1 . 1 78 78 LEU CB C 13 42.418 0.048 . 1 . . . . . 271 LEU CB . 50216 1 887 . 1 . 1 78 78 LEU CG C 13 27.914 0.017 . 1 . . . . . 271 LEU CG . 50216 1 888 . 1 . 1 78 78 LEU CD1 C 13 24.794 0.020 . 2 . . . . . 271 LEU CD1 . 50216 1 889 . 1 . 1 78 78 LEU CD2 C 13 25.782 0.042 . 2 . . . . . 271 LEU CD2 . 50216 1 890 . 1 . 1 78 78 LEU N N 15 119.408 0.036 . 1 . . . . . 271 LEU N . 50216 1 891 . 1 . 1 79 79 GLU H H 1 8.554 0.005 . 1 . . . . . 272 GLU H . 50216 1 892 . 1 . 1 79 79 GLU HA H 1 3.703 0.005 . 1 . . . . . 272 GLU HA . 50216 1 893 . 1 . 1 79 79 GLU HB2 H 1 2.083 0.006 . 2 . . . . . 272 GLU HB2 . 50216 1 894 . 1 . 1 79 79 GLU HB3 H 1 1.921 0.005 . 2 . . . . . 272 GLU HB3 . 50216 1 895 . 1 . 1 79 79 GLU HG2 H 1 2.365 0.005 . 2 . . . . . 272 GLU HG2 . 50216 1 896 . 1 . 1 79 79 GLU HG3 H 1 2.054 0.006 . 2 . . . . . 272 GLU HG3 . 50216 1 897 . 1 . 1 79 79 GLU CA C 13 60.201 0.051 . 1 . . . . . 272 GLU CA . 50216 1 898 . 1 . 1 79 79 GLU CB C 13 29.379 0.056 . 1 . . . . . 272 GLU CB . 50216 1 899 . 1 . 1 79 79 GLU CG C 13 37.322 0.076 . 1 . . . . . 272 GLU CG . 50216 1 900 . 1 . 1 79 79 GLU N N 15 118.294 0.031 . 1 . . . . . 272 GLU N . 50216 1 901 . 1 . 1 80 80 ARG H H 1 7.917 0.004 . 1 . . . . . 273 ARG H . 50216 1 902 . 1 . 1 80 80 ARG HA H 1 3.989 0.012 . 1 . . . . . 273 ARG HA . 50216 1 903 . 1 . 1 80 80 ARG HB2 H 1 1.819 0.005 . 2 . . . . . 273 ARG HB2 . 50216 1 904 . 1 . 1 80 80 ARG HB3 H 1 1.935 0.003 . 2 . . . . . 273 ARG HB3 . 50216 1 905 . 1 . 1 80 80 ARG HG2 H 1 1.531 0.005 . 2 . . . . . 273 ARG HG2 . 50216 1 906 . 1 . 1 80 80 ARG HG3 H 1 1.733 0.009 . 2 . . . . . 273 ARG HG3 . 50216 1 907 . 1 . 1 80 80 ARG HD2 H 1 3.139 0.006 . 1 . . . . . 273 ARG HD2 . 50216 1 908 . 1 . 1 80 80 ARG HD3 H 1 3.139 0.006 . 1 . . . . . 273 ARG HD3 . 50216 1 909 . 1 . 1 80 80 ARG CA C 13 59.440 0.043 . 1 . . . . . 273 ARG CA . 50216 1 910 . 1 . 1 80 80 ARG CB C 13 29.949 0.052 . 1 . . . . . 273 ARG CB . 50216 1 911 . 1 . 1 80 80 ARG CG C 13 27.711 0.015 . 1 . . . . . 273 ARG CG . 50216 1 912 . 1 . 1 80 80 ARG CD C 13 43.456 0.059 . 1 . . . . . 273 ARG CD . 50216 1 913 . 1 . 1 80 80 ARG N N 15 119.121 0.032 . 1 . . . . . 273 ARG N . 50216 1 914 . 1 . 1 81 81 ARG H H 1 7.860 0.017 . 1 . . . . . 274 ARG H . 50216 1 915 . 1 . 1 81 81 ARG HA H 1 4.101 0.008 . 1 . . . . . 274 ARG HA . 50216 1 916 . 1 . 1 81 81 ARG HB2 H 1 1.637 0.006 . 2 . . . . . 274 ARG HB2 . 50216 1 917 . 1 . 1 81 81 ARG HB3 H 1 1.869 0.000 . 2 . . . . . 274 ARG HB3 . 50216 1 918 . 1 . 1 81 81 ARG HG2 H 1 1.438 0.001 . 2 . . . . . 274 ARG HG2 . 50216 1 919 . 1 . 1 81 81 ARG HG3 H 1 1.879 0.002 . 2 . . . . . 274 ARG HG3 . 50216 1 920 . 1 . 1 81 81 ARG HD2 H 1 3.031 0.001 . 2 . . . . . 274 ARG HD2 . 50216 1 921 . 1 . 1 81 81 ARG HD3 H 1 3.122 0.004 . 2 . . . . . 274 ARG HD3 . 50216 1 922 . 1 . 1 81 81 ARG CA C 13 57.750 0.103 . 1 . . . . . 274 ARG CA . 50216 1 923 . 1 . 1 81 81 ARG CB C 13 30.438 0.089 . 1 . . . . . 274 ARG CB . 50216 1 924 . 1 . 1 81 81 ARG CG C 13 26.578 0.027 . 1 . . . . . 274 ARG CG . 50216 1 925 . 1 . 1 81 81 ARG CD C 13 42.979 0.034 . 1 . . . . . 274 ARG CD . 50216 1 926 . 1 . 1 81 81 ARG N N 15 117.518 0.049 . 1 . . . . . 274 ARG N . 50216 1 927 . 1 . 1 82 82 LEU H H 1 8.483 0.008 . 1 . . . . . 275 LEU H . 50216 1 928 . 1 . 1 82 82 LEU HA H 1 3.778 0.007 . 1 . . . . . 275 LEU HA . 50216 1 929 . 1 . 1 82 82 LEU HB2 H 1 1.511 0.003 . 2 . . . . . 275 LEU HB2 . 50216 1 930 . 1 . 1 82 82 LEU HB3 H 1 1.664 0.011 . 2 . . . . . 275 LEU HB3 . 50216 1 931 . 1 . 1 82 82 LEU HG H 1 1.626 0.009 . 1 . . . . . 275 LEU HG . 50216 1 932 . 1 . 1 82 82 LEU HD11 H 1 0.752 0.002 . 1 . . . . . 275 LEU HD11 . 50216 1 933 . 1 . 1 82 82 LEU HD12 H 1 0.752 0.002 . 1 . . . . . 275 LEU HD12 . 50216 1 934 . 1 . 1 82 82 LEU HD13 H 1 0.752 0.002 . 1 . . . . . 275 LEU HD13 . 50216 1 935 . 1 . 1 82 82 LEU HD21 H 1 0.753 0.001 . 1 . . . . . 275 LEU HD21 . 50216 1 936 . 1 . 1 82 82 LEU HD22 H 1 0.753 0.001 . 1 . . . . . 275 LEU HD22 . 50216 1 937 . 1 . 1 82 82 LEU HD23 H 1 0.753 0.001 . 1 . . . . . 275 LEU HD23 . 50216 1 938 . 1 . 1 82 82 LEU CA C 13 58.009 0.072 . 1 . . . . . 275 LEU CA . 50216 1 939 . 1 . 1 82 82 LEU CB C 13 41.568 0.047 . 1 . . . . . 275 LEU CB . 50216 1 940 . 1 . 1 82 82 LEU CG C 13 27.140 0.033 . 1 . . . . . 275 LEU CG . 50216 1 941 . 1 . 1 82 82 LEU CD1 C 13 24.944 0.067 . 1 . . . . . 275 LEU CD1 . 50216 1 942 . 1 . 1 82 82 LEU CD2 C 13 24.944 0.067 . 1 . . . . . 275 LEU CD2 . 50216 1 943 . 1 . 1 82 82 LEU N N 15 119.003 0.038 . 1 . . . . . 275 LEU N . 50216 1 944 . 1 . 1 83 83 GLY H H 1 7.523 0.009 . 1 . . . . . 276 GLY H . 50216 1 945 . 1 . 1 83 83 GLY HA2 H 1 3.975 0.006 . 2 . . . . . 276 GLY HA2 . 50216 1 946 . 1 . 1 83 83 GLY HA3 H 1 3.787 0.009 . 2 . . . . . 276 GLY HA3 . 50216 1 947 . 1 . 1 83 83 GLY CA C 13 45.985 0.026 . 1 . . . . . 276 GLY CA . 50216 1 948 . 1 . 1 83 83 GLY N N 15 103.929 0.056 . 1 . . . . . 276 GLY N . 50216 1 949 . 1 . 1 84 84 GLU H H 1 7.467 0.007 . 1 . . . . . 277 GLU H . 50216 1 950 . 1 . 1 84 84 GLU HA H 1 4.177 0.004 . 1 . . . . . 277 GLU HA . 50216 1 951 . 1 . 1 84 84 GLU HB2 H 1 2.065 0.001 . 2 . . . . . 277 GLU HB2 . 50216 1 952 . 1 . 1 84 84 GLU HB3 H 1 2.181 0.003 . 2 . . . . . 277 GLU HB3 . 50216 1 953 . 1 . 1 84 84 GLU HG2 H 1 2.379 0.008 . 2 . . . . . 277 GLU HG2 . 50216 1 954 . 1 . 1 84 84 GLU HG3 H 1 2.137 0.001 . 2 . . . . . 277 GLU HG3 . 50216 1 955 . 1 . 1 84 84 GLU CA C 13 56.450 0.035 . 1 . . . . . 277 GLU CA . 50216 1 956 . 1 . 1 84 84 GLU CB C 13 30.552 0.032 . 1 . . . . . 277 GLU CB . 50216 1 957 . 1 . 1 84 84 GLU CG C 13 36.900 0.027 . 1 . . . . . 277 GLU CG . 50216 1 958 . 1 . 1 84 84 GLU N N 15 118.076 0.035 . 1 . . . . . 277 GLU N . 50216 1 959 . 1 . 1 85 85 LEU H H 1 7.158 0.009 . 1 . . . . . 278 LEU H . 50216 1 960 . 1 . 1 85 85 LEU HA H 1 4.479 0.002 . 1 . . . . . 278 LEU HA . 50216 1 961 . 1 . 1 85 85 LEU HB2 H 1 1.714 0.005 . 2 . . . . . 278 LEU HB2 . 50216 1 962 . 1 . 1 85 85 LEU HB3 H 1 1.116 0.004 . 2 . . . . . 278 LEU HB3 . 50216 1 963 . 1 . 1 85 85 LEU HG H 1 1.593 0.005 . 1 . . . . . 278 LEU HG . 50216 1 964 . 1 . 1 85 85 LEU HD11 H 1 0.379 0.008 . 2 . . . . . 278 LEU HD11 . 50216 1 965 . 1 . 1 85 85 LEU HD12 H 1 0.379 0.008 . 2 . . . . . 278 LEU HD12 . 50216 1 966 . 1 . 1 85 85 LEU HD13 H 1 0.379 0.008 . 2 . . . . . 278 LEU HD13 . 50216 1 967 . 1 . 1 85 85 LEU HD21 H 1 0.325 0.009 . 2 . . . . . 278 LEU HD21 . 50216 1 968 . 1 . 1 85 85 LEU HD22 H 1 0.325 0.009 . 2 . . . . . 278 LEU HD22 . 50216 1 969 . 1 . 1 85 85 LEU HD23 H 1 0.325 0.009 . 2 . . . . . 278 LEU HD23 . 50216 1 970 . 1 . 1 85 85 LEU CA C 13 52.401 0.023 . 1 . . . . . 278 LEU CA . 50216 1 971 . 1 . 1 85 85 LEU CB C 13 41.843 0.029 . 1 . . . . . 278 LEU CB . 50216 1 972 . 1 . 1 85 85 LEU CG C 13 25.860 0.047 . 1 . . . . . 278 LEU CG . 50216 1 973 . 1 . 1 85 85 LEU CD1 C 13 25.247 0.014 . 2 . . . . . 278 LEU CD1 . 50216 1 974 . 1 . 1 85 85 LEU CD2 C 13 22.270 0.028 . 2 . . . . . 278 LEU CD2 . 50216 1 975 . 1 . 1 85 85 LEU N N 15 118.967 0.084 . 1 . . . . . 278 LEU N . 50216 1 976 . 1 . 1 86 86 PRO HA H 1 4.447 0.007 . 1 . . . . . 279 PRO HA . 50216 1 977 . 1 . 1 86 86 PRO HB2 H 1 2.443 0.002 . 2 . . . . . 279 PRO HB2 . 50216 1 978 . 1 . 1 86 86 PRO HB3 H 1 2.007 0.006 . 2 . . . . . 279 PRO HB3 . 50216 1 979 . 1 . 1 86 86 PRO HG2 H 1 2.208 0.013 . 2 . . . . . 279 PRO HG2 . 50216 1 980 . 1 . 1 86 86 PRO HG3 H 1 2.158 0.008 . 2 . . . . . 279 PRO HG3 . 50216 1 981 . 1 . 1 86 86 PRO HD2 H 1 3.461 0.006 . 2 . . . . . 279 PRO HD2 . 50216 1 982 . 1 . 1 86 86 PRO HD3 H 1 3.904 0.004 . 2 . . . . . 279 PRO HD3 . 50216 1 983 . 1 . 1 86 86 PRO CA C 13 62.835 0.040 . 1 . . . . . 279 PRO CA . 50216 1 984 . 1 . 1 86 86 PRO CB C 13 32.491 0.016 . 1 . . . . . 279 PRO CB . 50216 1 985 . 1 . 1 86 86 PRO CG C 13 27.894 0.034 . 1 . . . . . 279 PRO CG . 50216 1 986 . 1 . 1 86 86 PRO CD C 13 50.546 0.019 . 1 . . . . . 279 PRO CD . 50216 1 987 . 1 . 1 87 87 ALA H H 1 8.759 0.005 . 1 . . . . . 280 ALA H . 50216 1 988 . 1 . 1 87 87 ALA HA H 1 4.015 0.003 . 1 . . . . . 280 ALA HA . 50216 1 989 . 1 . 1 87 87 ALA HB1 H 1 1.364 0.002 . 1 . . . . . 280 ALA HB1 . 50216 1 990 . 1 . 1 87 87 ALA HB2 H 1 1.364 0.002 . 1 . . . . . 280 ALA HB2 . 50216 1 991 . 1 . 1 87 87 ALA HB3 H 1 1.364 0.002 . 1 . . . . . 280 ALA HB3 . 50216 1 992 . 1 . 1 87 87 ALA CA C 13 54.723 0.040 . 1 . . . . . 280 ALA CA . 50216 1 993 . 1 . 1 87 87 ALA CB C 13 18.557 0.068 . 1 . . . . . 280 ALA CB . 50216 1 994 . 1 . 1 87 87 ALA N N 15 125.089 0.026 . 1 . . . . . 280 ALA N . 50216 1 995 . 1 . 1 88 88 ASP H H 1 8.302 0.015 . 1 . . . . . 281 ASP H . 50216 1 996 . 1 . 1 88 88 ASP HA H 1 4.477 0.003 . 1 . . . . . 281 ASP HA . 50216 1 997 . 1 . 1 88 88 ASP HB2 H 1 2.751 0.003 . 2 . . . . . 281 ASP HB2 . 50216 1 998 . 1 . 1 88 88 ASP HB3 H 1 2.590 0.008 . 2 . . . . . 281 ASP HB3 . 50216 1 999 . 1 . 1 88 88 ASP CA C 13 53.168 0.049 . 1 . . . . . 281 ASP CA . 50216 1 1000 . 1 . 1 88 88 ASP CB C 13 39.861 0.028 . 1 . . . . . 281 ASP CB . 50216 1 1001 . 1 . 1 88 88 ASP N N 15 113.373 0.074 . 1 . . . . . 281 ASP N . 50216 1 1002 . 1 . 1 89 89 HIS H H 1 7.690 0.013 . 1 . . . . . 282 HIS H . 50216 1 1003 . 1 . 1 89 89 HIS HA H 1 4.476 0.005 . 1 . . . . . 282 HIS HA . 50216 1 1004 . 1 . 1 89 89 HIS HB2 H 1 2.910 0.005 . 2 . . . . . 282 HIS HB2 . 50216 1 1005 . 1 . 1 89 89 HIS HB3 H 1 3.135 0.005 . 2 . . . . . 282 HIS HB3 . 50216 1 1006 . 1 . 1 89 89 HIS HD2 H 1 7.073 0.005 . 1 . . . . . 282 HIS HD2 . 50216 1 1007 . 1 . 1 89 89 HIS HE1 H 1 7.621 0.001 . 1 . . . . . 282 HIS HE1 . 50216 1 1008 . 1 . 1 89 89 HIS CA C 13 56.671 0.055 . 1 . . . . . 282 HIS CA . 50216 1 1009 . 1 . 1 89 89 HIS CB C 13 32.881 0.039 . 1 . . . . . 282 HIS CB . 50216 1 1010 . 1 . 1 89 89 HIS CD2 C 13 118.292 0.020 . 1 . . . . . 282 HIS CD2 . 50216 1 1011 . 1 . 1 89 89 HIS CE1 C 13 138.926 0.063 . 1 . . . . . 282 HIS CE1 . 50216 1 1012 . 1 . 1 89 89 HIS N N 15 122.957 0.035 . 1 . . . . . 282 HIS N . 50216 1 1013 . 1 . 1 90 90 PRO HA H 1 4.222 0.006 . 1 . . . . . 283 PRO HA . 50216 1 1014 . 1 . 1 90 90 PRO HB2 H 1 2.285 0.002 . 2 . . . . . 283 PRO HB2 . 50216 1 1015 . 1 . 1 90 90 PRO HB3 H 1 1.876 0.007 . 2 . . . . . 283 PRO HB3 . 50216 1 1016 . 1 . 1 90 90 PRO HG2 H 1 1.807 0.000 . 2 . . . . . 283 PRO HG2 . 50216 1 1017 . 1 . 1 90 90 PRO HG3 H 1 1.862 0.005 . 2 . . . . . 283 PRO HG3 . 50216 1 1018 . 1 . 1 90 90 PRO HD2 H 1 3.644 0.005 . 2 . . . . . 283 PRO HD2 . 50216 1 1019 . 1 . 1 90 90 PRO HD3 H 1 2.623 0.004 . 2 . . . . . 283 PRO HD3 . 50216 1 1020 . 1 . 1 90 90 PRO CA C 13 65.523 0.047 . 1 . . . . . 283 PRO CA . 50216 1 1021 . 1 . 1 90 90 PRO CB C 13 32.404 0.039 . 1 . . . . . 283 PRO CB . 50216 1 1022 . 1 . 1 90 90 PRO CG C 13 27.501 0.022 . 1 . . . . . 283 PRO CG . 50216 1 1023 . 1 . 1 90 90 PRO CD C 13 50.904 0.011 . 1 . . . . . 283 PRO CD . 50216 1 1024 . 1 . 1 91 91 LYS H H 1 10.079 0.006 . 1 . . . . . 284 LYS H . 50216 1 1025 . 1 . 1 91 91 LYS HA H 1 4.245 0.004 . 1 . . . . . 284 LYS HA . 50216 1 1026 . 1 . 1 91 91 LYS HB2 H 1 1.803 0.003 . 2 . . . . . 284 LYS HB2 . 50216 1 1027 . 1 . 1 91 91 LYS HB3 H 1 1.970 0.003 . 2 . . . . . 284 LYS HB3 . 50216 1 1028 . 1 . 1 91 91 LYS HG2 H 1 1.483 0.004 . 2 . . . . . 284 LYS HG2 . 50216 1 1029 . 1 . 1 91 91 LYS HG3 H 1 1.606 0.007 . 2 . . . . . 284 LYS HG3 . 50216 1 1030 . 1 . 1 91 91 LYS HD2 H 1 1.570 0.009 . 2 . . . . . 284 LYS HD2 . 50216 1 1031 . 1 . 1 91 91 LYS HD3 H 1 1.704 0.001 . 2 . . . . . 284 LYS HD3 . 50216 1 1032 . 1 . 1 91 91 LYS HE2 H 1 2.942 0.004 . 2 . . . . . 284 LYS HE2 . 50216 1 1033 . 1 . 1 91 91 LYS HE3 H 1 2.942 0.004 . 2 . . . . . 284 LYS HE3 . 50216 1 1034 . 1 . 1 91 91 LYS CA C 13 57.900 0.024 . 1 . . . . . 284 LYS CA . 50216 1 1035 . 1 . 1 91 91 LYS CB C 13 32.280 0.025 . 1 . . . . . 284 LYS CB . 50216 1 1036 . 1 . 1 91 91 LYS CG C 13 25.537 0.032 . 1 . . . . . 284 LYS CG . 50216 1 1037 . 1 . 1 91 91 LYS CD C 13 28.909 0.012 . 1 . . . . . 284 LYS CD . 50216 1 1038 . 1 . 1 91 91 LYS CE C 13 41.710 0.057 . 1 . . . . . 284 LYS CE . 50216 1 1039 . 1 . 1 91 91 LYS N N 15 119.785 0.056 . 1 . . . . . 284 LYS N . 50216 1 1040 . 1 . 1 92 92 GLY H H 1 8.216 0.005 . 1 . . . . . 285 GLY H . 50216 1 1041 . 1 . 1 92 92 GLY HA2 H 1 4.011 0.007 . 2 . . . . . 285 GLY HA2 . 50216 1 1042 . 1 . 1 92 92 GLY HA3 H 1 3.552 0.004 . 2 . . . . . 285 GLY HA3 . 50216 1 1043 . 1 . 1 92 92 GLY CA C 13 47.536 0.026 . 1 . . . . . 285 GLY CA . 50216 1 1044 . 1 . 1 92 92 GLY N N 15 107.192 0.060 . 1 . . . . . 285 GLY N . 50216 1 1045 . 1 . 1 93 93 ARG H H 1 7.835 0.010 . 1 . . . . . 286 ARG H . 50216 1 1046 . 1 . 1 93 93 ARG HA H 1 3.967 0.006 . 1 . . . . . 286 ARG HA . 50216 1 1047 . 1 . 1 93 93 ARG HB2 H 1 1.811 0.003 . 1 . . . . . 286 ARG HB2 . 50216 1 1048 . 1 . 1 93 93 ARG HB3 H 1 1.811 0.003 . 1 . . . . . 286 ARG HB3 . 50216 1 1049 . 1 . 1 93 93 ARG HG2 H 1 1.523 0.003 . 2 . . . . . 286 ARG HG2 . 50216 1 1050 . 1 . 1 93 93 ARG HG3 H 1 1.634 0.002 . 2 . . . . . 286 ARG HG3 . 50216 1 1051 . 1 . 1 93 93 ARG HD2 H 1 3.133 0.005 . 1 . . . . . 286 ARG HD2 . 50216 1 1052 . 1 . 1 93 93 ARG HD3 H 1 3.133 0.005 . 1 . . . . . 286 ARG HD3 . 50216 1 1053 . 1 . 1 93 93 ARG CA C 13 59.431 0.033 . 1 . . . . . 286 ARG CA . 50216 1 1054 . 1 . 1 93 93 ARG CB C 13 29.972 0.023 . 1 . . . . . 286 ARG CB . 50216 1 1055 . 1 . 1 93 93 ARG CG C 13 27.236 0.048 . 1 . . . . . 286 ARG CG . 50216 1 1056 . 1 . 1 93 93 ARG CD C 13 43.483 0.002 . 1 . . . . . 286 ARG CD . 50216 1 1057 . 1 . 1 93 93 ARG N N 15 120.366 0.066 . 1 . . . . . 286 ARG N . 50216 1 1058 . 1 . 1 94 94 LEU H H 1 7.390 0.013 . 1 . . . . . 287 LEU H . 50216 1 1059 . 1 . 1 94 94 LEU HA H 1 4.047 0.005 . 1 . . . . . 287 LEU HA . 50216 1 1060 . 1 . 1 94 94 LEU HB2 H 1 1.691 0.000 . 2 . . . . . 287 LEU HB2 . 50216 1 1061 . 1 . 1 94 94 LEU HB3 H 1 1.575 0.007 . 2 . . . . . 287 LEU HB3 . 50216 1 1062 . 1 . 1 94 94 LEU HG H 1 1.617 0.009 . 1 . . . . . 287 LEU HG . 50216 1 1063 . 1 . 1 94 94 LEU HD11 H 1 0.809 0.004 . 2 . . . . . 287 LEU HD11 . 50216 1 1064 . 1 . 1 94 94 LEU HD12 H 1 0.809 0.004 . 2 . . . . . 287 LEU HD12 . 50216 1 1065 . 1 . 1 94 94 LEU HD13 H 1 0.809 0.004 . 2 . . . . . 287 LEU HD13 . 50216 1 1066 . 1 . 1 94 94 LEU HD21 H 1 0.863 0.006 . 2 . . . . . 287 LEU HD21 . 50216 1 1067 . 1 . 1 94 94 LEU HD22 H 1 0.863 0.006 . 2 . . . . . 287 LEU HD22 . 50216 1 1068 . 1 . 1 94 94 LEU HD23 H 1 0.863 0.006 . 2 . . . . . 287 LEU HD23 . 50216 1 1069 . 1 . 1 94 94 LEU CA C 13 57.671 0.053 . 1 . . . . . 287 LEU CA . 50216 1 1070 . 1 . 1 94 94 LEU CB C 13 42.048 0.049 . 1 . . . . . 287 LEU CB . 50216 1 1071 . 1 . 1 94 94 LEU CG C 13 27.108 0.000 . 1 . . . . . 287 LEU CG . 50216 1 1072 . 1 . 1 94 94 LEU CD1 C 13 23.928 0.055 . 2 . . . . . 287 LEU CD1 . 50216 1 1073 . 1 . 1 94 94 LEU CD2 C 13 24.888 0.011 . 2 . . . . . 287 LEU CD2 . 50216 1 1074 . 1 . 1 94 94 LEU N N 15 118.625 0.057 . 1 . . . . . 287 LEU N . 50216 1 1075 . 1 . 1 95 95 LEU H H 1 8.057 0.005 . 1 . . . . . 288 LEU H . 50216 1 1076 . 1 . 1 95 95 LEU HA H 1 4.050 0.004 . 1 . . . . . 288 LEU HA . 50216 1 1077 . 1 . 1 95 95 LEU HB2 H 1 1.499 0.004 . 2 . . . . . 288 LEU HB2 . 50216 1 1078 . 1 . 1 95 95 LEU HB3 H 1 1.720 0.007 . 2 . . . . . 288 LEU HB3 . 50216 1 1079 . 1 . 1 95 95 LEU HG H 1 1.628 0.001 . 1 . . . . . 288 LEU HG . 50216 1 1080 . 1 . 1 95 95 LEU HD11 H 1 0.754 0.005 . 1 . . . . . 288 LEU HD11 . 50216 1 1081 . 1 . 1 95 95 LEU HD12 H 1 0.754 0.005 . 1 . . . . . 288 LEU HD12 . 50216 1 1082 . 1 . 1 95 95 LEU HD13 H 1 0.754 0.005 . 1 . . . . . 288 LEU HD13 . 50216 1 1083 . 1 . 1 95 95 LEU HD21 H 1 0.754 0.005 . 1 . . . . . 288 LEU HD21 . 50216 1 1084 . 1 . 1 95 95 LEU HD22 H 1 0.754 0.005 . 1 . . . . . 288 LEU HD22 . 50216 1 1085 . 1 . 1 95 95 LEU HD23 H 1 0.754 0.005 . 1 . . . . . 288 LEU HD23 . 50216 1 1086 . 1 . 1 95 95 LEU CA C 13 57.286 0.092 . 1 . . . . . 288 LEU CA . 50216 1 1087 . 1 . 1 95 95 LEU CB C 13 41.824 0.049 . 1 . . . . . 288 LEU CB . 50216 1 1088 . 1 . 1 95 95 LEU CG C 13 27.495 0.040 . 1 . . . . . 288 LEU CG . 50216 1 1089 . 1 . 1 95 95 LEU CD2 C 13 24.805 0.061 . 1 . . . . . 288 LEU CD2 . 50216 1 1090 . 1 . 1 95 95 LEU N N 15 119.585 0.070 . 1 . . . . . 288 LEU N . 50216 1 1091 . 1 . 1 96 96 ARG H H 1 8.167 0.008 . 1 . . . . . 289 ARG H . 50216 1 1092 . 1 . 1 96 96 ARG HA H 1 3.772 0.005 . 1 . . . . . 289 ARG HA . 50216 1 1093 . 1 . 1 96 96 ARG HB2 H 1 1.847 0.000 . 1 . . . . . 289 ARG HB2 . 50216 1 1094 . 1 . 1 96 96 ARG HB3 H 1 1.847 0.000 . 1 . . . . . 289 ARG HB3 . 50216 1 1095 . 1 . 1 96 96 ARG HG2 H 1 1.511 0.005 . 2 . . . . . 289 ARG HG2 . 50216 1 1096 . 1 . 1 96 96 ARG HG3 H 1 1.779 0.006 . 2 . . . . . 289 ARG HG3 . 50216 1 1097 . 1 . 1 96 96 ARG HD2 H 1 3.159 0.001 . 2 . . . . . 289 ARG HD2 . 50216 1 1098 . 1 . 1 96 96 ARG HD3 H 1 3.055 0.004 . 2 . . . . . 289 ARG HD3 . 50216 1 1099 . 1 . 1 96 96 ARG CA C 13 60.236 0.033 . 1 . . . . . 289 ARG CA . 50216 1 1100 . 1 . 1 96 96 ARG CB C 13 30.233 0.190 . 1 . . . . . 289 ARG CB . 50216 1 1101 . 1 . 1 96 96 ARG CG C 13 29.078 0.021 . 1 . . . . . 289 ARG CG . 50216 1 1102 . 1 . 1 96 96 ARG CD C 13 43.313 0.009 . 1 . . . . . 289 ARG CD . 50216 1 1103 . 1 . 1 96 96 ARG N N 15 118.175 0.087 . 1 . . . . . 289 ARG N . 50216 1 1104 . 1 . 1 97 97 GLU H H 1 7.802 0.018 . 1 . . . . . 290 GLU H . 50216 1 1105 . 1 . 1 97 97 GLU HA H 1 3.991 0.009 . 1 . . . . . 290 GLU HA . 50216 1 1106 . 1 . 1 97 97 GLU HB2 H 1 2.105 0.009 . 2 . . . . . 290 GLU HB2 . 50216 1 1107 . 1 . 1 97 97 GLU HB3 H 1 2.037 0.010 . 2 . . . . . 290 GLU HB3 . 50216 1 1108 . 1 . 1 97 97 GLU HG2 H 1 2.395 0.005 . 2 . . . . . 290 GLU HG2 . 50216 1 1109 . 1 . 1 97 97 GLU HG3 H 1 2.180 0.001 . 2 . . . . . 290 GLU HG3 . 50216 1 1110 . 1 . 1 97 97 GLU CA C 13 59.304 0.082 . 1 . . . . . 290 GLU CA . 50216 1 1111 . 1 . 1 97 97 GLU CB C 13 29.632 0.059 . 1 . . . . . 290 GLU CB . 50216 1 1112 . 1 . 1 97 97 GLU CG C 13 36.576 0.028 . 1 . . . . . 290 GLU CG . 50216 1 1113 . 1 . 1 97 97 GLU N N 15 118.881 0.088 . 1 . . . . . 290 GLU N . 50216 1 1114 . 1 . 1 98 98 GLU H H 1 8.041 0.009 . 1 . . . . . 291 GLU H . 50216 1 1115 . 1 . 1 98 98 GLU HA H 1 3.988 0.005 . 1 . . . . . 291 GLU HA . 50216 1 1116 . 1 . 1 98 98 GLU HB2 H 1 1.962 0.004 . 2 . . . . . 291 GLU HB2 . 50216 1 1117 . 1 . 1 98 98 GLU HB3 H 1 2.097 0.018 . 2 . . . . . 291 GLU HB3 . 50216 1 1118 . 1 . 1 98 98 GLU HG2 H 1 2.342 0.000 . 2 . . . . . 291 GLU HG2 . 50216 1 1119 . 1 . 1 98 98 GLU HG3 H 1 2.053 0.008 . 2 . . . . . 291 GLU HG3 . 50216 1 1120 . 1 . 1 98 98 GLU CA C 13 59.459 0.034 . 1 . . . . . 291 GLU CA . 50216 1 1121 . 1 . 1 98 98 GLU CB C 13 29.895 0.042 . 1 . . . . . 291 GLU CB . 50216 1 1122 . 1 . 1 98 98 GLU CG C 13 36.607 0.072 . 1 . . . . . 291 GLU CG . 50216 1 1123 . 1 . 1 98 98 GLU N N 15 121.164 0.060 . 1 . . . . . 291 GLU N . 50216 1 1124 . 1 . 1 99 99 LEU H H 1 8.273 0.006 . 1 . . . . . 292 LEU H . 50216 1 1125 . 1 . 1 99 99 LEU HA H 1 3.878 0.008 . 1 . . . . . 292 LEU HA . 50216 1 1126 . 1 . 1 99 99 LEU HB2 H 1 1.341 0.004 . 2 . . . . . 292 LEU HB2 . 50216 1 1127 . 1 . 1 99 99 LEU HB3 H 1 1.643 0.007 . 2 . . . . . 292 LEU HB3 . 50216 1 1128 . 1 . 1 99 99 LEU HG H 1 1.523 0.003 . 1 . . . . . 292 LEU HG . 50216 1 1129 . 1 . 1 99 99 LEU HD11 H 1 0.361 0.004 . 2 . . . . . 292 LEU HD11 . 50216 1 1130 . 1 . 1 99 99 LEU HD12 H 1 0.361 0.004 . 2 . . . . . 292 LEU HD12 . 50216 1 1131 . 1 . 1 99 99 LEU HD13 H 1 0.361 0.004 . 2 . . . . . 292 LEU HD13 . 50216 1 1132 . 1 . 1 99 99 LEU HD21 H 1 0.559 0.007 . 2 . . . . . 292 LEU HD21 . 50216 1 1133 . 1 . 1 99 99 LEU HD22 H 1 0.559 0.007 . 2 . . . . . 292 LEU HD22 . 50216 1 1134 . 1 . 1 99 99 LEU HD23 H 1 0.559 0.007 . 2 . . . . . 292 LEU HD23 . 50216 1 1135 . 1 . 1 99 99 LEU CA C 13 57.276 0.046 . 1 . . . . . 292 LEU CA . 50216 1 1136 . 1 . 1 99 99 LEU CB C 13 41.577 0.041 . 1 . . . . . 292 LEU CB . 50216 1 1137 . 1 . 1 99 99 LEU CG C 13 27.016 0.013 . 1 . . . . . 292 LEU CG . 50216 1 1138 . 1 . 1 99 99 LEU CD1 C 13 22.848 0.010 . 2 . . . . . 292 LEU CD1 . 50216 1 1139 . 1 . 1 99 99 LEU CD2 C 13 25.399 0.042 . 2 . . . . . 292 LEU CD2 . 50216 1 1140 . 1 . 1 99 99 LEU N N 15 118.811 0.088 . 1 . . . . . 292 LEU N . 50216 1 1141 . 1 . 1 100 100 ALA H H 1 7.670 0.010 . 1 . . . . . 293 ALA H . 50216 1 1142 . 1 . 1 100 100 ALA HA H 1 4.118 0.007 . 1 . . . . . 293 ALA HA . 50216 1 1143 . 1 . 1 100 100 ALA HB1 H 1 1.396 0.003 . 1 . . . . . 293 ALA HB1 . 50216 1 1144 . 1 . 1 100 100 ALA HB2 H 1 1.396 0.003 . 1 . . . . . 293 ALA HB2 . 50216 1 1145 . 1 . 1 100 100 ALA HB3 H 1 1.396 0.003 . 1 . . . . . 293 ALA HB3 . 50216 1 1146 . 1 . 1 100 100 ALA CA C 13 54.069 0.038 . 1 . . . . . 293 ALA CA . 50216 1 1147 . 1 . 1 100 100 ALA CB C 13 18.432 0.063 . 1 . . . . . 293 ALA CB . 50216 1 1148 . 1 . 1 100 100 ALA N N 15 121.236 0.077 . 1 . . . . . 293 ALA N . 50216 1 1149 . 1 . 1 101 101 ALA H H 1 7.639 0.009 . 1 . . . . . 294 ALA H . 50216 1 1150 . 1 . 1 101 101 ALA HA H 1 4.173 0.004 . 1 . . . . . 294 ALA HA . 50216 1 1151 . 1 . 1 101 101 ALA HB1 H 1 1.395 0.011 . 1 . . . . . 294 ALA HB1 . 50216 1 1152 . 1 . 1 101 101 ALA HB2 H 1 1.395 0.011 . 1 . . . . . 294 ALA HB2 . 50216 1 1153 . 1 . 1 101 101 ALA HB3 H 1 1.395 0.011 . 1 . . . . . 294 ALA HB3 . 50216 1 1154 . 1 . 1 101 101 ALA CA C 13 53.391 0.032 . 1 . . . . . 294 ALA CA . 50216 1 1155 . 1 . 1 101 101 ALA CB C 13 18.569 0.079 . 1 . . . . . 294 ALA CB . 50216 1 1156 . 1 . 1 101 101 ALA N N 15 120.180 0.052 . 1 . . . . . 294 ALA N . 50216 1 1157 . 1 . 1 102 102 ALA H H 1 7.597 0.020 . 1 . . . . . 295 ALA H . 50216 1 1158 . 1 . 1 102 102 ALA HA H 1 4.322 0.006 . 1 . . . . . 295 ALA HA . 50216 1 1159 . 1 . 1 102 102 ALA HB1 H 1 1.338 0.009 . 1 . . . . . 295 ALA HB1 . 50216 1 1160 . 1 . 1 102 102 ALA HB2 H 1 1.338 0.009 . 1 . . . . . 295 ALA HB2 . 50216 1 1161 . 1 . 1 102 102 ALA HB3 H 1 1.338 0.009 . 1 . . . . . 295 ALA HB3 . 50216 1 1162 . 1 . 1 102 102 ALA CA C 13 52.355 0.022 . 1 . . . . . 295 ALA CA . 50216 1 1163 . 1 . 1 102 102 ALA CB C 13 18.981 0.029 . 1 . . . . . 295 ALA CB . 50216 1 1164 . 1 . 1 102 102 ALA N N 15 120.790 0.056 . 1 . . . . . 295 ALA N . 50216 1 1165 . 1 . 1 103 103 SER H H 1 7.907 0.009 . 1 . . . . . 296 SER H . 50216 1 1166 . 1 . 1 103 103 SER HA H 1 4.474 0.003 . 1 . . . . . 296 SER HA . 50216 1 1167 . 1 . 1 103 103 SER HB2 H 1 3.888 0.002 . 1 . . . . . 296 SER HB2 . 50216 1 1168 . 1 . 1 103 103 SER HB3 H 1 3.888 0.002 . 1 . . . . . 296 SER HB3 . 50216 1 1169 . 1 . 1 103 103 SER CA C 13 58.534 0.086 . 1 . . . . . 296 SER CA . 50216 1 1170 . 1 . 1 103 103 SER CB C 13 64.123 0.041 . 1 . . . . . 296 SER CB . 50216 1 1171 . 1 . 1 103 103 SER N N 15 114.816 0.026 . 1 . . . . . 296 SER N . 50216 1 1172 . 1 . 1 104 104 SER H H 1 7.885 0.005 . 1 . . . . . 297 SER H . 50216 1 1173 . 1 . 1 104 104 SER HA H 1 4.243 0.007 . 1 . . . . . 297 SER HA . 50216 1 1174 . 1 . 1 104 104 SER HB2 H 1 3.804 0.003 . 1 . . . . . 297 SER HB2 . 50216 1 1175 . 1 . 1 104 104 SER HB3 H 1 3.804 0.003 . 1 . . . . . 297 SER HB3 . 50216 1 1176 . 1 . 1 104 104 SER CA C 13 60.144 0.037 . 1 . . . . . 297 SER CA . 50216 1 1177 . 1 . 1 104 104 SER CB C 13 64.943 0.097 . 1 . . . . . 297 SER CB . 50216 1 1178 . 1 . 1 104 104 SER N N 15 122.855 0.009 . 1 . . . . . 297 SER N . 50216 1 stop_ save_