data_51792 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51792 _Entry.Title ; FapC L2R3C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-01-22 _Entry.Accession_date 2023-01-22 _Entry.Last_release_date 2023-01-23 _Entry.Original_release_date 2023-01-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'NMR resonance assignment of FapC L2R3C-region (157-250 amino acids) functional bacterial amyloid from Pseudomonas aeruginosa.' _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 Chang-Hyeock Byeon . . . . 51792 2 Pang Wang . C. . . 51792 3 In-Ja Byeon . L. . . 51792 4 Umit Akbey . . . . 51792 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'university of pittsburgh' . 51792 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51792 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 250 51792 '15N chemical shifts' 95 51792 '1H chemical shifts' 518 51792 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2024-01-03 2023-01-22 update author 'update entry citation' 51792 1 . . 2023-01-27 2023-01-22 original author 'original release' 51792 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51793 'FapC Full-Length' 51792 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51792 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37162737 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution-state NMR assignment and secondary structure propensity of the full length and minimalistic-truncated prefibrillar monomeric form of biofilm forming functional amyloid FapC from Pseudomonas aeruginosa ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 17 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 159 _Citation.Page_last 165 _Citation.Year 2023 _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 Chang-Hyeock Byeon . . . . 51792 1 2 Pang Wang . C. . . 51792 1 3 In-Ja Byeon . L. . . 51792 1 4 Umit Akbey . . . . 51792 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Pseudomonas aeruginosa FapC' 51792 1 'Solution-state NMR Spectroscopy' 51792 1 'bacterial biofilm' 51792 1 'functional bacterial amyloid (FuBA)' 51792 1 'prefibrillar assembly' 51792 1 'structure determination' 51792 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51792 _Assembly.ID 1 _Assembly.Name 'FapC L2R3C' _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 'FapC L2R3C' 1 $entity_1 . . yes native no no . . . 51792 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51792 _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 ; GSGTNLAIVTADGKNVAAAS NTEQVSLDNHFLNEASSKHS YKPQYVVNNAGLLNSANNAS GNIGVNVAAGAGNQQSNTLT LGSGCTVCAAGTGSKLAF ; _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 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 -3 GLY . 51792 1 2 -2 SER . 51792 1 3 -1 GLY . 51792 1 4 0 THR . 51792 1 5 157 ASN . 51792 1 6 158 LEU . 51792 1 7 159 ALA . 51792 1 8 160 ILE . 51792 1 9 161 VAL . 51792 1 10 162 THR . 51792 1 11 163 ALA . 51792 1 12 164 ASP . 51792 1 13 165 GLY . 51792 1 14 166 LYS . 51792 1 15 167 ASN . 51792 1 16 168 VAL . 51792 1 17 169 ALA . 51792 1 18 170 ALA . 51792 1 19 171 ALA . 51792 1 20 172 SER . 51792 1 21 173 ASN . 51792 1 22 174 THR . 51792 1 23 175 GLU . 51792 1 24 176 GLN . 51792 1 25 177 VAL . 51792 1 26 178 SER . 51792 1 27 179 LEU . 51792 1 28 180 ASP . 51792 1 29 181 ASN . 51792 1 30 182 HIS . 51792 1 31 183 PHE . 51792 1 32 184 LEU . 51792 1 33 185 ASN . 51792 1 34 186 GLU . 51792 1 35 187 ALA . 51792 1 36 188 SER . 51792 1 37 189 SER . 51792 1 38 190 LYS . 51792 1 39 191 HIS . 51792 1 40 192 SER . 51792 1 41 193 TYR . 51792 1 42 194 LYS . 51792 1 43 195 PRO . 51792 1 44 196 GLN . 51792 1 45 197 TYR . 51792 1 46 198 VAL . 51792 1 47 199 VAL . 51792 1 48 200 ASN . 51792 1 49 201 ASN . 51792 1 50 202 ALA . 51792 1 51 203 GLY . 51792 1 52 204 LEU . 51792 1 53 205 LEU . 51792 1 54 206 ASN . 51792 1 55 207 SER . 51792 1 56 208 ALA . 51792 1 57 209 ASN . 51792 1 58 210 ASN . 51792 1 59 211 ALA . 51792 1 60 212 SER . 51792 1 61 213 GLY . 51792 1 62 214 ASN . 51792 1 63 215 ILE . 51792 1 64 216 GLY . 51792 1 65 217 VAL . 51792 1 66 218 ASN . 51792 1 67 219 VAL . 51792 1 68 220 ALA . 51792 1 69 221 ALA . 51792 1 70 222 GLY . 51792 1 71 223 ALA . 51792 1 72 224 GLY . 51792 1 73 225 ASN . 51792 1 74 226 GLN . 51792 1 75 227 GLN . 51792 1 76 228 SER . 51792 1 77 229 ASN . 51792 1 78 230 THR . 51792 1 79 231 LEU . 51792 1 80 232 THR . 51792 1 81 233 LEU . 51792 1 82 234 GLY . 51792 1 83 235 SER . 51792 1 84 236 GLY . 51792 1 85 237 CYS . 51792 1 86 238 THR . 51792 1 87 239 VAL . 51792 1 88 240 CYS . 51792 1 89 241 ALA . 51792 1 90 242 ALA . 51792 1 91 243 GLY . 51792 1 92 244 THR . 51792 1 93 245 GLY . 51792 1 94 246 SER . 51792 1 95 247 LYS . 51792 1 96 248 LEU . 51792 1 97 249 ALA . 51792 1 98 250 PHE . 51792 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 51792 1 . SER 2 2 51792 1 . GLY 3 3 51792 1 . THR 4 4 51792 1 . ASN 5 5 51792 1 . LEU 6 6 51792 1 . ALA 7 7 51792 1 . ILE 8 8 51792 1 . VAL 9 9 51792 1 . THR 10 10 51792 1 . ALA 11 11 51792 1 . ASP 12 12 51792 1 . GLY 13 13 51792 1 . LYS 14 14 51792 1 . ASN 15 15 51792 1 . VAL 16 16 51792 1 . ALA 17 17 51792 1 . ALA 18 18 51792 1 . ALA 19 19 51792 1 . SER 20 20 51792 1 . ASN 21 21 51792 1 . THR 22 22 51792 1 . GLU 23 23 51792 1 . GLN 24 24 51792 1 . VAL 25 25 51792 1 . SER 26 26 51792 1 . LEU 27 27 51792 1 . ASP 28 28 51792 1 . ASN 29 29 51792 1 . HIS 30 30 51792 1 . PHE 31 31 51792 1 . LEU 32 32 51792 1 . ASN 33 33 51792 1 . GLU 34 34 51792 1 . ALA 35 35 51792 1 . SER 36 36 51792 1 . SER 37 37 51792 1 . LYS 38 38 51792 1 . HIS 39 39 51792 1 . SER 40 40 51792 1 . TYR 41 41 51792 1 . LYS 42 42 51792 1 . PRO 43 43 51792 1 . GLN 44 44 51792 1 . TYR 45 45 51792 1 . VAL 46 46 51792 1 . VAL 47 47 51792 1 . ASN 48 48 51792 1 . ASN 49 49 51792 1 . ALA 50 50 51792 1 . GLY 51 51 51792 1 . LEU 52 52 51792 1 . LEU 53 53 51792 1 . ASN 54 54 51792 1 . SER 55 55 51792 1 . ALA 56 56 51792 1 . ASN 57 57 51792 1 . ASN 58 58 51792 1 . ALA 59 59 51792 1 . SER 60 60 51792 1 . GLY 61 61 51792 1 . ASN 62 62 51792 1 . ILE 63 63 51792 1 . GLY 64 64 51792 1 . VAL 65 65 51792 1 . ASN 66 66 51792 1 . VAL 67 67 51792 1 . ALA 68 68 51792 1 . ALA 69 69 51792 1 . GLY 70 70 51792 1 . ALA 71 71 51792 1 . GLY 72 72 51792 1 . ASN 73 73 51792 1 . GLN 74 74 51792 1 . GLN 75 75 51792 1 . SER 76 76 51792 1 . ASN 77 77 51792 1 . THR 78 78 51792 1 . LEU 79 79 51792 1 . THR 80 80 51792 1 . LEU 81 81 51792 1 . GLY 82 82 51792 1 . SER 83 83 51792 1 . GLY 84 84 51792 1 . CYS 85 85 51792 1 . THR 86 86 51792 1 . VAL 87 87 51792 1 . CYS 88 88 51792 1 . ALA 89 89 51792 1 . ALA 90 90 51792 1 . GLY 91 91 51792 1 . THR 92 92 51792 1 . GLY 93 93 51792 1 . SER 94 94 51792 1 . LYS 95 95 51792 1 . LEU 96 96 51792 1 . ALA 97 97 51792 1 . PHE 98 98 51792 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 51792 _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 . 287 organism . 'Pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Bacteria . Pseudomonas aeruginosa . . . . . . . . . . . . . 51792 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 51792 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pET32 . . . 51792 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51792 _Sample.ID 1 _Sample.Name 'FapC L2R3C' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; NMR resonance assignment of FapC L2R3C-region (157-250 amino acids) functional bacterial amyloid from Pseudomonas aeruginosa. ; _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 'FapC L2R3C' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.3 . . mM . . . . 51792 1 2 DSS '[U-100% 2H]' . . . . . . 1 . . mM . . . . 51792 1 3 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 51792 1 4 DTT 'natural abundance' . . . . . . 30 . . mM . . . . 51792 1 5 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 51792 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 51792 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51792 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'FapC L2R3C' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 . pH 51792 1 pressure 1 . atm 51792 1 temperature 274 . K 51792 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51792 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 3.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51792 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51792 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51792 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51792 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 600 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51792 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 700 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 51792 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name 900 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 51792 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51792 1 2 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51792 1 3 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51792 1 4 '3D HBHA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51792 1 5 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 51792 1 6 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51792 1 7 '3D H(CCO)NH TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51792 1 8 '3D C(CO)NH TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51792 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 51792 _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 carbon' . . . . ppm 0 internal direct 1 . . . . . 51792 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51792 1 N 15 DSS nitrogen . . . . ppm 0 internal direct 1 . . . . . 51792 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 51792 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name FapC_L2R3C _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' . . . 51792 1 2 '3D HNCACB' . . . 51792 1 3 '3D CBCA(CO)NH' . . . 51792 1 4 '3D HBHA(CO)NH' . . . 51792 1 5 '2D 1H-15N HSQC' . . . 51792 1 6 '2D 1H-13C HSQC' . . . 51792 1 7 '3D H(CCO)NH TOCSY' . . . 51792 1 8 '3D C(CO)NH TOCSY' . . . 51792 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 . . 51792 1 2 $software_2 . . 51792 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 3 3 GLY H H 1 8.823 0.00 . 1 . . . . . -1 GLY H . 51792 1 2 . 1 . 1 3 3 GLY HA2 H 1 4.051 0.00 . 2 . . . . . -1 GLY HA2 . 51792 1 3 . 1 . 1 3 3 GLY HA3 H 1 4.051 0.00 . 2 . . . . . -1 GLY HA3 . 51792 1 4 . 1 . 1 3 3 GLY CA C 13 45.330 0.07 . 1 . . . . . -1 GLY CA . 51792 1 5 . 1 . 1 3 3 GLY N N 15 111.541 0.04 . 1 . . . . . -1 GLY N . 51792 1 6 . 1 . 1 4 4 THR H H 1 8.266 0.00 . 1 . . . . . 0 THR H . 51792 1 7 . 1 . 1 4 4 THR HA H 1 4.345 0.01 . 1 . . . . . 0 THR HA . 51792 1 8 . 1 . 1 4 4 THR HB H 1 4.221 0.00 . 1 . . . . . 0 THR HB . 51792 1 9 . 1 . 1 4 4 THR HG21 H 1 1.202 0.00 . 1 . . . . . 0 THR MG . 51792 1 10 . 1 . 1 4 4 THR HG22 H 1 1.202 0.00 . 1 . . . . . 0 THR MG . 51792 1 11 . 1 . 1 4 4 THR HG23 H 1 1.202 0.00 . 1 . . . . . 0 THR MG . 51792 1 12 . 1 . 1 4 4 THR CA C 13 61.992 0.03 . 1 . . . . . 0 THR CA . 51792 1 13 . 1 . 1 4 4 THR CB C 13 69.741 0.03 . 1 . . . . . 0 THR CB . 51792 1 14 . 1 . 1 4 4 THR CG2 C 13 21.018 0.00 . 1 . . . . . 0 THR CG2 . 51792 1 15 . 1 . 1 4 4 THR N N 15 114.224 0.02 . 1 . . . . . 0 THR N . 51792 1 16 . 1 . 1 5 5 ASN H H 1 8.687 0.00 . 1 . . . . . 157 ASN H . 51792 1 17 . 1 . 1 5 5 ASN HA H 1 4.728 0.01 . 1 . . . . . 157 ASN HA . 51792 1 18 . 1 . 1 5 5 ASN HB2 H 1 2.828 0.01 . 2 . . . . . 157 ASN HB2 . 51792 1 19 . 1 . 1 5 5 ASN HB3 H 1 2.828 0.01 . 2 . . . . . 157 ASN HB3 . 51792 1 20 . 1 . 1 5 5 ASN CA C 13 53.294 0.07 . 1 . . . . . 157 ASN CA . 51792 1 21 . 1 . 1 5 5 ASN CB C 13 38.612 0.06 . 1 . . . . . 157 ASN CB . 51792 1 22 . 1 . 1 5 5 ASN N N 15 121.779 0.02 . 1 . . . . . 157 ASN N . 51792 1 23 . 1 . 1 6 6 LEU H H 1 8.423 0.00 . 1 . . . . . 158 LEU H . 51792 1 24 . 1 . 1 6 6 LEU HA H 1 4.331 0.00 . 1 . . . . . 158 LEU HA . 51792 1 25 . 1 . 1 6 6 LEU HB2 H 1 1.624 0.01 . 2 . . . . . 158 LEU HB2 . 51792 1 26 . 1 . 1 6 6 LEU HB3 H 1 1.624 0.01 . 2 . . . . . 158 LEU HB3 . 51792 1 27 . 1 . 1 6 6 LEU HD11 H 1 0.902 0.00 . 2 . . . . . 158 LEU MD1 . 51792 1 28 . 1 . 1 6 6 LEU HD12 H 1 0.902 0.00 . 2 . . . . . 158 LEU MD1 . 51792 1 29 . 1 . 1 6 6 LEU HD13 H 1 0.902 0.00 . 2 . . . . . 158 LEU MD1 . 51792 1 30 . 1 . 1 6 6 LEU HD21 H 1 0.902 0.00 . 2 . . . . . 158 LEU MD2 . 51792 1 31 . 1 . 1 6 6 LEU HD22 H 1 0.902 0.00 . 2 . . . . . 158 LEU MD2 . 51792 1 32 . 1 . 1 6 6 LEU HD23 H 1 0.902 0.00 . 2 . . . . . 158 LEU MD2 . 51792 1 33 . 1 . 1 6 6 LEU CA C 13 55.148 0.12 . 1 . . . . . 158 LEU CA . 51792 1 34 . 1 . 1 6 6 LEU CB C 13 42.302 0.09 . 1 . . . . . 158 LEU CB . 51792 1 35 . 1 . 1 6 6 LEU CG C 13 26.334 0.00 . 1 . . . . . 158 LEU CG . 51792 1 36 . 1 . 1 6 6 LEU CD1 C 13 23.673 0.00 . 2 . . . . . 158 LEU CD1 . 51792 1 37 . 1 . 1 6 6 LEU CD2 C 13 23.673 0.00 . 2 . . . . . 158 LEU CD2 . 51792 1 38 . 1 . 1 6 6 LEU N N 15 123.363 0.03 . 1 . . . . . 158 LEU N . 51792 1 39 . 1 . 1 7 7 ALA H H 1 8.359 0.00 . 1 . . . . . 159 ALA H . 51792 1 40 . 1 . 1 7 7 ALA HA H 1 4.309 0.01 . 1 . . . . . 159 ALA HA . 51792 1 41 . 1 . 1 7 7 ALA HB1 H 1 1.379 0.01 . 1 . . . . . 159 ALA MB . 51792 1 42 . 1 . 1 7 7 ALA HB2 H 1 1.379 0.01 . 1 . . . . . 159 ALA MB . 51792 1 43 . 1 . 1 7 7 ALA HB3 H 1 1.379 0.01 . 1 . . . . . 159 ALA MB . 51792 1 44 . 1 . 1 7 7 ALA CA C 13 52.402 0.02 . 1 . . . . . 159 ALA CA . 51792 1 45 . 1 . 1 7 7 ALA CB C 13 18.997 0.03 . 1 . . . . . 159 ALA CB . 51792 1 46 . 1 . 1 7 7 ALA N N 15 124.976 0.05 . 1 . . . . . 159 ALA N . 51792 1 47 . 1 . 1 8 8 ILE H H 1 8.243 0.00 . 1 . . . . . 160 ILE H . 51792 1 48 . 1 . 1 8 8 ILE HA H 1 4.145 0.01 . 1 . . . . . 160 ILE HA . 51792 1 49 . 1 . 1 8 8 ILE HB H 1 1.868 0.01 . 1 . . . . . 160 ILE HB . 51792 1 50 . 1 . 1 8 8 ILE HG12 H 1 1.480 0.01 . 2 . . . . . 160 ILE HG12 . 51792 1 51 . 1 . 1 8 8 ILE HG13 H 1 1.480 0.01 . 2 . . . . . 160 ILE HG13 . 51792 1 52 . 1 . 1 8 8 ILE HD11 H 1 0.880 0.00 . 1 . . . . . 160 ILE MD . 51792 1 53 . 1 . 1 8 8 ILE HD12 H 1 0.880 0.00 . 1 . . . . . 160 ILE MD . 51792 1 54 . 1 . 1 8 8 ILE HD13 H 1 0.880 0.00 . 1 . . . . . 160 ILE MD . 51792 1 55 . 1 . 1 8 8 ILE CA C 13 61.003 0.02 . 1 . . . . . 160 ILE CA . 51792 1 56 . 1 . 1 8 8 ILE CB C 13 38.634 0.02 . 1 . . . . . 160 ILE CB . 51792 1 57 . 1 . 1 8 8 ILE CG1 C 13 26.598 0.00 . 1 . . . . . 160 ILE CG1 . 51792 1 58 . 1 . 1 8 8 ILE CG2 C 13 17.136 0.00 . 1 . . . . . 160 ILE CG2 . 51792 1 59 . 1 . 1 8 8 ILE CD1 C 13 12.670 0.00 . 1 . . . . . 160 ILE CD1 . 51792 1 60 . 1 . 1 8 8 ILE N N 15 121.120 0.05 . 1 . . . . . 160 ILE N . 51792 1 61 . 1 . 1 9 9 VAL H H 1 8.469 0.00 . 1 . . . . . 161 VAL H . 51792 1 62 . 1 . 1 9 9 VAL HA H 1 4.304 0.01 . 1 . . . . . 161 VAL HA . 51792 1 63 . 1 . 1 9 9 VAL HB H 1 2.070 0.01 . 1 . . . . . 161 VAL HB . 51792 1 64 . 1 . 1 9 9 VAL HG11 H 1 0.944 0.01 . 2 . . . . . 161 VAL MG1 . 51792 1 65 . 1 . 1 9 9 VAL HG12 H 1 0.944 0.01 . 2 . . . . . 161 VAL MG1 . 51792 1 66 . 1 . 1 9 9 VAL HG13 H 1 0.944 0.01 . 2 . . . . . 161 VAL MG1 . 51792 1 67 . 1 . 1 9 9 VAL HG21 H 1 0.944 0.01 . 2 . . . . . 161 VAL MG2 . 51792 1 68 . 1 . 1 9 9 VAL HG22 H 1 0.944 0.01 . 2 . . . . . 161 VAL MG2 . 51792 1 69 . 1 . 1 9 9 VAL HG23 H 1 0.944 0.01 . 2 . . . . . 161 VAL MG2 . 51792 1 70 . 1 . 1 9 9 VAL CA C 13 62.082 0.04 . 1 . . . . . 161 VAL CA . 51792 1 71 . 1 . 1 9 9 VAL CB C 13 32.926 0.03 . 1 . . . . . 161 VAL CB . 51792 1 72 . 1 . 1 9 9 VAL CG1 C 13 20.696 0.00 . 2 . . . . . 161 VAL CG1 . 51792 1 73 . 1 . 1 9 9 VAL CG2 C 13 20.696 0.00 . 2 . . . . . 161 VAL CG2 . 51792 1 74 . 1 . 1 9 9 VAL N N 15 125.944 0.07 . 1 . . . . . 161 VAL N . 51792 1 75 . 1 . 1 10 10 THR H H 1 8.521 0.00 . 1 . . . . . 162 THR H . 51792 1 76 . 1 . 1 10 10 THR HA H 1 4.368 0.00 . 1 . . . . . 162 THR HA . 51792 1 77 . 1 . 1 10 10 THR HB H 1 4.272 0.00 . 1 . . . . . 162 THR HB . 51792 1 78 . 1 . 1 10 10 THR HG21 H 1 1.217 0.01 . 1 . . . . . 162 THR MG . 51792 1 79 . 1 . 1 10 10 THR HG22 H 1 1.217 0.01 . 1 . . . . . 162 THR MG . 51792 1 80 . 1 . 1 10 10 THR HG23 H 1 1.217 0.01 . 1 . . . . . 162 THR MG . 51792 1 81 . 1 . 1 10 10 THR CA C 13 61.605 0.03 . 1 . . . . . 162 THR CA . 51792 1 82 . 1 . 1 10 10 THR CB C 13 70.075 0.03 . 1 . . . . . 162 THR CB . 51792 1 83 . 1 . 1 10 10 THR CG2 C 13 21.632 0.00 . 1 . . . . . 162 THR CG2 . 51792 1 84 . 1 . 1 10 10 THR N N 15 119.259 0.06 . 1 . . . . . 162 THR N . 51792 1 85 . 1 . 1 11 11 ALA H H 1 8.683 0.00 . 1 . . . . . 163 ALA H . 51792 1 86 . 1 . 1 11 11 ALA HA H 1 4.316 0.01 . 1 . . . . . 163 ALA HA . 51792 1 87 . 1 . 1 11 11 ALA HB1 H 1 1.423 0.01 . 1 . . . . . 163 ALA MB . 51792 1 88 . 1 . 1 11 11 ALA HB2 H 1 1.423 0.01 . 1 . . . . . 163 ALA MB . 51792 1 89 . 1 . 1 11 11 ALA HB3 H 1 1.423 0.01 . 1 . . . . . 163 ALA MB . 51792 1 90 . 1 . 1 11 11 ALA CA C 13 52.947 0.02 . 1 . . . . . 163 ALA CA . 51792 1 91 . 1 . 1 11 11 ALA CB C 13 19.024 0.05 . 1 . . . . . 163 ALA CB . 51792 1 92 . 1 . 1 11 11 ALA N N 15 126.704 0.05 . 1 . . . . . 163 ALA N . 51792 1 93 . 1 . 1 12 12 ASP H H 1 8.408 0.00 . 1 . . . . . 164 ASP H . 51792 1 94 . 1 . 1 12 12 ASP HA H 1 4.584 0.01 . 1 . . . . . 164 ASP HA . 51792 1 95 . 1 . 1 12 12 ASP HB2 H 1 2.738 0.01 . 2 . . . . . 164 ASP HB2 . 51792 1 96 . 1 . 1 12 12 ASP HB3 H 1 2.738 0.01 . 2 . . . . . 164 ASP HB3 . 51792 1 97 . 1 . 1 12 12 ASP CA C 13 54.291 0.11 . 1 . . . . . 164 ASP CA . 51792 1 98 . 1 . 1 12 12 ASP CB C 13 40.987 0.02 . 1 . . . . . 164 ASP CB . 51792 1 99 . 1 . 1 12 12 ASP N N 15 119.107 0.05 . 1 . . . . . 164 ASP N . 51792 1 100 . 1 . 1 13 13 GLY H H 1 8.429 0.00 . 1 . . . . . 165 GLY H . 51792 1 101 . 1 . 1 13 13 GLY HA2 H 1 3.934 0.00 . 2 . . . . . 165 GLY HA2 . 51792 1 102 . 1 . 1 13 13 GLY HA3 H 1 3.934 0.00 . 2 . . . . . 165 GLY HA3 . 51792 1 103 . 1 . 1 13 13 GLY CA C 13 45.608 0.06 . 1 . . . . . 165 GLY CA . 51792 1 104 . 1 . 1 13 13 GLY N N 15 109.368 0.04 . 1 . . . . . 165 GLY N . 51792 1 105 . 1 . 1 14 14 LYS H H 1 8.211 0.01 . 1 . . . . . 166 LYS H . 51792 1 106 . 1 . 1 14 14 LYS HA H 1 4.325 0.00 . 1 . . . . . 166 LYS HA . 51792 1 107 . 1 . 1 14 14 LYS HB2 H 1 1.824 0.00 . 2 . . . . . 166 LYS HB2 . 51792 1 108 . 1 . 1 14 14 LYS HB3 H 1 1.824 0.00 . 2 . . . . . 166 LYS HB3 . 51792 1 109 . 1 . 1 14 14 LYS HG2 H 1 1.397 0.01 . 2 . . . . . 166 LYS HG2 . 51792 1 110 . 1 . 1 14 14 LYS HG3 H 1 1.397 0.01 . 2 . . . . . 166 LYS HG3 . 51792 1 111 . 1 . 1 14 14 LYS HD2 H 1 1.700 0.00 . 2 . . . . . 166 LYS HD2 . 51792 1 112 . 1 . 1 14 14 LYS HD3 H 1 1.700 0.00 . 2 . . . . . 166 LYS HD3 . 51792 1 113 . 1 . 1 14 14 LYS HE2 H 1 2.990 0.00 . 2 . . . . . 166 LYS HE2 . 51792 1 114 . 1 . 1 14 14 LYS HE3 H 1 2.990 0.00 . 2 . . . . . 166 LYS HE3 . 51792 1 115 . 1 . 1 14 14 LYS CA C 13 56.343 0.02 . 1 . . . . . 166 LYS CA . 51792 1 116 . 1 . 1 14 14 LYS CB C 13 32.835 0.03 . 1 . . . . . 166 LYS CB . 51792 1 117 . 1 . 1 14 14 LYS CG C 13 25.000 0.00 . 1 . . . . . 166 LYS CG . 51792 1 118 . 1 . 1 14 14 LYS CD C 13 29.014 0.00 . 1 . . . . . 166 LYS CD . 51792 1 119 . 1 . 1 14 14 LYS CE C 13 42.066 0.00 . 1 . . . . . 166 LYS CE . 51792 1 120 . 1 . 1 14 14 LYS N N 15 120.474 0.08 . 1 . . . . . 166 LYS N . 51792 1 121 . 1 . 1 15 15 ASN H H 1 8.616 0.01 . 1 . . . . . 167 ASN H . 51792 1 122 . 1 . 1 15 15 ASN HA H 1 4.753 0.01 . 1 . . . . . 167 ASN HA . 51792 1 123 . 1 . 1 15 15 ASN HB2 H 1 2.792 0.02 . 2 . . . . . 167 ASN HB2 . 51792 1 124 . 1 . 1 15 15 ASN HB3 H 1 2.792 0.02 . 2 . . . . . 167 ASN HB3 . 51792 1 125 . 1 . 1 15 15 ASN CA C 13 53.362 0.01 . 1 . . . . . 167 ASN CA . 51792 1 126 . 1 . 1 15 15 ASN CB C 13 38.769 0.01 . 1 . . . . . 167 ASN CB . 51792 1 127 . 1 . 1 15 15 ASN N N 15 119.764 0.05 . 1 . . . . . 167 ASN N . 51792 1 128 . 1 . 1 16 16 VAL H H 1 8.270 0.00 . 1 . . . . . 168 VAL H . 51792 1 129 . 1 . 1 16 16 VAL HA H 1 4.085 0.00 . 1 . . . . . 168 VAL HA . 51792 1 130 . 1 . 1 16 16 VAL HB H 1 2.084 0.01 . 1 . . . . . 168 VAL HB . 51792 1 131 . 1 . 1 16 16 VAL HG11 H 1 0.943 0.01 . 2 . . . . . 168 VAL MG1 . 51792 1 132 . 1 . 1 16 16 VAL HG12 H 1 0.943 0.01 . 2 . . . . . 168 VAL MG1 . 51792 1 133 . 1 . 1 16 16 VAL HG13 H 1 0.943 0.01 . 2 . . . . . 168 VAL MG1 . 51792 1 134 . 1 . 1 16 16 VAL HG21 H 1 0.943 0.01 . 2 . . . . . 168 VAL MG2 . 51792 1 135 . 1 . 1 16 16 VAL HG22 H 1 0.943 0.01 . 2 . . . . . 168 VAL MG2 . 51792 1 136 . 1 . 1 16 16 VAL HG23 H 1 0.943 0.01 . 2 . . . . . 168 VAL MG2 . 51792 1 137 . 1 . 1 16 16 VAL CA C 13 62.354 0.02 . 1 . . . . . 168 VAL CA . 51792 1 138 . 1 . 1 16 16 VAL CB C 13 32.694 0.09 . 1 . . . . . 168 VAL CB . 51792 1 139 . 1 . 1 16 16 VAL CG1 C 13 20.628 0.00 . 2 . . . . . 168 VAL CG1 . 51792 1 140 . 1 . 1 16 16 VAL CG2 C 13 20.628 0.00 . 2 . . . . . 168 VAL CG2 . 51792 1 141 . 1 . 1 16 16 VAL N N 15 121.320 0.03 . 1 . . . . . 168 VAL N . 51792 1 142 . 1 . 1 17 17 ALA H H 1 8.534 0.00 . 1 . . . . . 169 ALA H . 51792 1 143 . 1 . 1 17 17 ALA HA H 1 4.301 0.00 . 1 . . . . . 169 ALA HA . 51792 1 144 . 1 . 1 17 17 ALA HB1 H 1 1.404 0.01 . 1 . . . . . 169 ALA MB . 51792 1 145 . 1 . 1 17 17 ALA HB2 H 1 1.404 0.01 . 1 . . . . . 169 ALA MB . 51792 1 146 . 1 . 1 17 17 ALA HB3 H 1 1.404 0.01 . 1 . . . . . 169 ALA MB . 51792 1 147 . 1 . 1 17 17 ALA CA C 13 52.440 0.04 . 1 . . . . . 169 ALA CA . 51792 1 148 . 1 . 1 17 17 ALA CB C 13 19.080 0.03 . 1 . . . . . 169 ALA CB . 51792 1 149 . 1 . 1 17 17 ALA N N 15 128.120 0.02 . 1 . . . . . 169 ALA N . 51792 1 150 . 1 . 1 18 18 ALA H H 1 8.409 0.00 . 1 . . . . . 170 ALA H . 51792 1 151 . 1 . 1 18 18 ALA HA H 1 4.275 0.01 . 1 . . . . . 170 ALA HA . 51792 1 152 . 1 . 1 18 18 ALA HB1 H 1 1.413 0.01 . 1 . . . . . 170 ALA MB . 51792 1 153 . 1 . 1 18 18 ALA HB2 H 1 1.413 0.01 . 1 . . . . . 170 ALA MB . 51792 1 154 . 1 . 1 18 18 ALA HB3 H 1 1.413 0.01 . 1 . . . . . 170 ALA MB . 51792 1 155 . 1 . 1 18 18 ALA CA C 13 52.363 0.05 . 1 . . . . . 170 ALA CA . 51792 1 156 . 1 . 1 18 18 ALA CB C 13 19.150 0.05 . 1 . . . . . 170 ALA CB . 51792 1 157 . 1 . 1 18 18 ALA N N 15 123.908 0.04 . 1 . . . . . 170 ALA N . 51792 1 158 . 1 . 1 19 19 ALA H H 1 8.474 0.00 . 1 . . . . . 171 ALA H . 51792 1 159 . 1 . 1 19 19 ALA HA H 1 4.331 0.01 . 1 . . . . . 171 ALA HA . 51792 1 160 . 1 . 1 19 19 ALA HB1 H 1 1.428 0.01 . 1 . . . . . 171 ALA MB . 51792 1 161 . 1 . 1 19 19 ALA HB2 H 1 1.428 0.01 . 1 . . . . . 171 ALA MB . 51792 1 162 . 1 . 1 19 19 ALA HB3 H 1 1.428 0.01 . 1 . . . . . 171 ALA MB . 51792 1 163 . 1 . 1 19 19 ALA CA C 13 52.530 0.09 . 1 . . . . . 171 ALA CA . 51792 1 164 . 1 . 1 19 19 ALA CB C 13 19.189 0.04 . 1 . . . . . 171 ALA CB . 51792 1 165 . 1 . 1 19 19 ALA N N 15 123.879 0.04 . 1 . . . . . 171 ALA N . 51792 1 166 . 1 . 1 20 20 SER H H 1 8.470 0.00 . 1 . . . . . 172 SER H . 51792 1 167 . 1 . 1 20 20 SER HA H 1 4.449 0.00 . 1 . . . . . 172 SER HA . 51792 1 168 . 1 . 1 20 20 SER HB2 H 1 3.910 0.02 . 2 . . . . . 172 SER HB2 . 51792 1 169 . 1 . 1 20 20 SER HB3 H 1 3.910 0.02 . 2 . . . . . 172 SER HB3 . 51792 1 170 . 1 . 1 20 20 SER CA C 13 58.386 0.01 . 1 . . . . . 172 SER CA . 51792 1 171 . 1 . 1 20 20 SER CB C 13 63.834 0.02 . 1 . . . . . 172 SER CB . 51792 1 172 . 1 . 1 20 20 SER N N 15 115.343 0.04 . 1 . . . . . 172 SER N . 51792 1 173 . 1 . 1 21 21 ASN H H 1 8.634 0.00 . 1 . . . . . 173 ASN H . 51792 1 174 . 1 . 1 21 21 ASN HA H 1 4.811 0.01 . 1 . . . . . 173 ASN HA . 51792 1 175 . 1 . 1 21 21 ASN HB2 H 1 2.864 0.01 . 2 . . . . . 173 ASN HB2 . 51792 1 176 . 1 . 1 21 21 ASN HB3 H 1 2.864 0.01 . 2 . . . . . 173 ASN HB3 . 51792 1 177 . 1 . 1 21 21 ASN CA C 13 53.384 0.05 . 1 . . . . . 173 ASN CA . 51792 1 178 . 1 . 1 21 21 ASN CB C 13 38.741 0.09 . 1 . . . . . 173 ASN CB . 51792 1 179 . 1 . 1 21 21 ASN N N 15 121.142 0.04 . 1 . . . . . 173 ASN N . 51792 1 180 . 1 . 1 22 22 THR H H 1 8.302 0.00 . 1 . . . . . 174 THR H . 51792 1 181 . 1 . 1 22 22 THR HA H 1 4.311 0.00 . 1 . . . . . 174 THR HA . 51792 1 182 . 1 . 1 22 22 THR HG21 H 1 1.218 0.01 . 1 . . . . . 174 THR MG . 51792 1 183 . 1 . 1 22 22 THR HG22 H 1 1.218 0.01 . 1 . . . . . 174 THR MG . 51792 1 184 . 1 . 1 22 22 THR HG23 H 1 1.218 0.01 . 1 . . . . . 174 THR MG . 51792 1 185 . 1 . 1 22 22 THR CA C 13 62.294 0.03 . 1 . . . . . 174 THR CA . 51792 1 186 . 1 . 1 22 22 THR CB C 13 69.599 0.02 . 1 . . . . . 174 THR CB . 51792 1 187 . 1 . 1 22 22 THR CG2 C 13 21.543 0.00 . 1 . . . . . 174 THR CG2 . 51792 1 188 . 1 . 1 22 22 THR N N 15 114.427 0.02 . 1 . . . . . 174 THR N . 51792 1 189 . 1 . 1 23 23 GLU H H 1 8.514 0.00 . 1 . . . . . 175 GLU H . 51792 1 190 . 1 . 1 23 23 GLU HA H 1 4.270 0.00 . 1 . . . . . 175 GLU HA . 51792 1 191 . 1 . 1 23 23 GLU HB2 H 1 2.015 0.01 . 2 . . . . . 175 GLU HB2 . 51792 1 192 . 1 . 1 23 23 GLU HB3 H 1 2.015 0.01 . 2 . . . . . 175 GLU HB3 . 51792 1 193 . 1 . 1 23 23 GLU HG2 H 1 2.284 0.00 . 2 . . . . . 175 GLU HG2 . 51792 1 194 . 1 . 1 23 23 GLU HG3 H 1 2.284 0.00 . 2 . . . . . 175 GLU HG3 . 51792 1 195 . 1 . 1 23 23 GLU CA C 13 56.778 0.02 . 1 . . . . . 175 GLU CA . 51792 1 196 . 1 . 1 23 23 GLU CB C 13 30.086 0.02 . 1 . . . . . 175 GLU CB . 51792 1 197 . 1 . 1 23 23 GLU CG C 13 35.894 0.00 . 1 . . . . . 175 GLU CG . 51792 1 198 . 1 . 1 23 23 GLU N N 15 123.363 0.03 . 1 . . . . . 175 GLU N . 51792 1 199 . 1 . 1 24 24 GLN H H 1 8.539 0.00 . 1 . . . . . 176 GLN H . 51792 1 200 . 1 . 1 24 24 GLN HA H 1 4.309 0.01 . 1 . . . . . 176 GLN HA . 51792 1 201 . 1 . 1 24 24 GLN HB2 H 1 2.066 0.00 . 2 . . . . . 176 GLN HB2 . 51792 1 202 . 1 . 1 24 24 GLN HB3 H 1 2.066 0.00 . 2 . . . . . 176 GLN HB3 . 51792 1 203 . 1 . 1 24 24 GLN HG2 H 1 2.360 0.02 . 2 . . . . . 176 GLN HG2 . 51792 1 204 . 1 . 1 24 24 GLN HG3 H 1 2.360 0.02 . 2 . . . . . 176 GLN HG3 . 51792 1 205 . 1 . 1 24 24 GLN CA C 13 55.917 0.01 . 1 . . . . . 176 GLN CA . 51792 1 206 . 1 . 1 24 24 GLN CB C 13 29.350 0.03 . 1 . . . . . 176 GLN CB . 51792 1 207 . 1 . 1 24 24 GLN CG C 13 33.806 0.00 . 1 . . . . . 176 GLN CG . 51792 1 208 . 1 . 1 24 24 GLN N N 15 122.093 0.03 . 1 . . . . . 176 GLN N . 51792 1 209 . 1 . 1 25 25 VAL H H 1 8.377 0.00 . 1 . . . . . 177 VAL H . 51792 1 210 . 1 . 1 25 25 VAL HA H 1 4.120 0.00 . 1 . . . . . 177 VAL HA . 51792 1 211 . 1 . 1 25 25 VAL HB H 1 2.078 0.01 . 1 . . . . . 177 VAL HB . 51792 1 212 . 1 . 1 25 25 VAL HG11 H 1 0.947 0.00 . 2 . . . . . 177 VAL MG1 . 51792 1 213 . 1 . 1 25 25 VAL HG12 H 1 0.947 0.00 . 2 . . . . . 177 VAL MG1 . 51792 1 214 . 1 . 1 25 25 VAL HG13 H 1 0.947 0.00 . 2 . . . . . 177 VAL MG1 . 51792 1 215 . 1 . 1 25 25 VAL HG21 H 1 0.947 0.00 . 2 . . . . . 177 VAL MG2 . 51792 1 216 . 1 . 1 25 25 VAL HG22 H 1 0.947 0.00 . 2 . . . . . 177 VAL MG2 . 51792 1 217 . 1 . 1 25 25 VAL HG23 H 1 0.947 0.00 . 2 . . . . . 177 VAL MG2 . 51792 1 218 . 1 . 1 25 25 VAL CA C 13 62.583 0.07 . 1 . . . . . 177 VAL CA . 51792 1 219 . 1 . 1 25 25 VAL CB C 13 32.809 0.02 . 1 . . . . . 177 VAL CB . 51792 1 220 . 1 . 1 25 25 VAL CG1 C 13 20.619 0.00 . 2 . . . . . 177 VAL CG1 . 51792 1 221 . 1 . 1 25 25 VAL CG2 C 13 20.619 0.00 . 2 . . . . . 177 VAL CG2 . 51792 1 222 . 1 . 1 25 25 VAL N N 15 122.274 0.03 . 1 . . . . . 177 VAL N . 51792 1 223 . 1 . 1 26 26 SER H H 1 8.564 0.00 . 1 . . . . . 178 SER H . 51792 1 224 . 1 . 1 26 26 SER HA H 1 4.479 0.02 . 1 . . . . . 178 SER HA . 51792 1 225 . 1 . 1 26 26 SER HB2 H 1 3.883 0.01 . 2 . . . . . 178 SER HB2 . 51792 1 226 . 1 . 1 26 26 SER HB3 H 1 3.883 0.01 . 2 . . . . . 178 SER HB3 . 51792 1 227 . 1 . 1 26 26 SER CA C 13 58.312 0.01 . 1 . . . . . 178 SER CA . 51792 1 228 . 1 . 1 26 26 SER CB C 13 63.738 0.03 . 1 . . . . . 178 SER CB . 51792 1 229 . 1 . 1 26 26 SER N N 15 119.852 0.02 . 1 . . . . . 178 SER N . 51792 1 230 . 1 . 1 27 27 LEU H H 1 8.578 0.00 . 1 . . . . . 179 LEU H . 51792 1 231 . 1 . 1 27 27 LEU HA H 1 4.362 0.00 . 1 . . . . . 179 LEU HA . 51792 1 232 . 1 . 1 27 27 LEU HB2 H 1 1.649 0.02 . 2 . . . . . 179 LEU HB2 . 51792 1 233 . 1 . 1 27 27 LEU HB3 H 1 1.649 0.02 . 2 . . . . . 179 LEU HB3 . 51792 1 234 . 1 . 1 27 27 LEU HD11 H 1 0.898 0.01 . 2 . . . . . 179 LEU MD1 . 51792 1 235 . 1 . 1 27 27 LEU HD12 H 1 0.898 0.01 . 2 . . . . . 179 LEU MD1 . 51792 1 236 . 1 . 1 27 27 LEU HD13 H 1 0.898 0.01 . 2 . . . . . 179 LEU MD1 . 51792 1 237 . 1 . 1 27 27 LEU HD21 H 1 0.898 0.01 . 2 . . . . . 179 LEU MD2 . 51792 1 238 . 1 . 1 27 27 LEU HD22 H 1 0.898 0.01 . 2 . . . . . 179 LEU MD2 . 51792 1 239 . 1 . 1 27 27 LEU HD23 H 1 0.898 0.01 . 2 . . . . . 179 LEU MD2 . 51792 1 240 . 1 . 1 27 27 LEU CA C 13 55.379 0.03 . 1 . . . . . 179 LEU CA . 51792 1 241 . 1 . 1 27 27 LEU CB C 13 42.179 0.02 . 1 . . . . . 179 LEU CB . 51792 1 242 . 1 . 1 27 27 LEU CG C 13 26.665 0.00 . 1 . . . . . 179 LEU CG . 51792 1 243 . 1 . 1 27 27 LEU CD1 C 13 24.168 0.00 . 2 . . . . . 179 LEU CD1 . 51792 1 244 . 1 . 1 27 27 LEU CD2 C 13 24.168 0.00 . 2 . . . . . 179 LEU CD2 . 51792 1 245 . 1 . 1 27 27 LEU N N 15 125.229 0.04 . 1 . . . . . 179 LEU N . 51792 1 246 . 1 . 1 28 28 ASP H H 1 8.384 0.01 . 1 . . . . . 180 ASP H . 51792 1 247 . 1 . 1 28 28 ASP HA H 1 4.555 0.00 . 1 . . . . . 180 ASP HA . 51792 1 248 . 1 . 1 28 28 ASP HB2 H 1 2.643 0.01 . 2 . . . . . 180 ASP HB2 . 51792 1 249 . 1 . 1 28 28 ASP HB3 H 1 2.643 0.01 . 2 . . . . . 180 ASP HB3 . 51792 1 250 . 1 . 1 28 28 ASP CA C 13 54.647 0.10 . 1 . . . . . 180 ASP CA . 51792 1 251 . 1 . 1 28 28 ASP CB C 13 40.996 0.04 . 1 . . . . . 180 ASP CB . 51792 1 252 . 1 . 1 28 28 ASP N N 15 120.568 0.07 . 1 . . . . . 180 ASP N . 51792 1 253 . 1 . 1 29 29 ASN H H 1 8.359 0.01 . 1 . . . . . 181 ASN H . 51792 1 254 . 1 . 1 29 29 ASN HA H 1 4.591 0.01 . 1 . . . . . 181 ASN HA . 51792 1 255 . 1 . 1 29 29 ASN HB2 H 1 2.735 0.01 . 2 . . . . . 181 ASN HB2 . 51792 1 256 . 1 . 1 29 29 ASN HB3 H 1 2.735 0.01 . 2 . . . . . 181 ASN HB3 . 51792 1 257 . 1 . 1 29 29 ASN CA C 13 53.457 0.02 . 1 . . . . . 181 ASN CA . 51792 1 258 . 1 . 1 29 29 ASN CB C 13 38.549 0.05 . 1 . . . . . 181 ASN CB . 51792 1 259 . 1 . 1 29 29 ASN N N 15 119.197 0.03 . 1 . . . . . 181 ASN N . 51792 1 260 . 1 . 1 30 30 HIS H H 1 8.391 0.00 . 1 . . . . . 182 HIS H . 51792 1 261 . 1 . 1 30 30 HIS HA H 1 4.498 0.01 . 1 . . . . . 182 HIS HA . 51792 1 262 . 1 . 1 30 30 HIS HB2 H 1 3.074 0.01 . 1 . . . . . 182 HIS HB2 . 51792 1 263 . 1 . 1 30 30 HIS HB3 H 1 3.036 0.00 . 1 . . . . . 182 HIS HB3 . 51792 1 264 . 1 . 1 30 30 HIS CA C 13 57.072 0.03 . 1 . . . . . 182 HIS CA . 51792 1 265 . 1 . 1 30 30 HIS CB C 13 29.890 0.04 . 1 . . . . . 182 HIS CB . 51792 1 266 . 1 . 1 30 30 HIS N N 15 119.945 0.02 . 1 . . . . . 182 HIS N . 51792 1 267 . 1 . 1 31 31 PHE H H 1 8.207 0.00 . 1 . . . . . 183 PHE H . 51792 1 268 . 1 . 1 31 31 PHE HA H 1 4.533 0.00 . 1 . . . . . 183 PHE HA . 51792 1 269 . 1 . 1 31 31 PHE HB2 H 1 3.109 0.02 . 2 . . . . . 183 PHE HB2 . 51792 1 270 . 1 . 1 31 31 PHE HB3 H 1 3.109 0.02 . 2 . . . . . 183 PHE HB3 . 51792 1 271 . 1 . 1 31 31 PHE CA C 13 58.452 0.02 . 1 . . . . . 183 PHE CA . 51792 1 272 . 1 . 1 31 31 PHE CB C 13 39.057 0.03 . 1 . . . . . 183 PHE CB . 51792 1 273 . 1 . 1 31 31 PHE N N 15 120.317 0.04 . 1 . . . . . 183 PHE N . 51792 1 274 . 1 . 1 32 32 LEU H H 1 8.210 0.00 . 1 . . . . . 184 LEU H . 51792 1 275 . 1 . 1 32 32 LEU HA H 1 4.265 0.00 . 1 . . . . . 184 LEU HA . 51792 1 276 . 1 . 1 32 32 LEU HB2 H 1 1.612 0.00 . 2 . . . . . 184 LEU HB2 . 51792 1 277 . 1 . 1 32 32 LEU HB3 H 1 1.612 0.00 . 2 . . . . . 184 LEU HB3 . 51792 1 278 . 1 . 1 32 32 LEU HD11 H 1 0.906 0.00 . 2 . . . . . 184 LEU MD1 . 51792 1 279 . 1 . 1 32 32 LEU HD12 H 1 0.906 0.00 . 2 . . . . . 184 LEU MD1 . 51792 1 280 . 1 . 1 32 32 LEU HD13 H 1 0.906 0.00 . 2 . . . . . 184 LEU MD1 . 51792 1 281 . 1 . 1 32 32 LEU HD21 H 1 0.906 0.00 . 2 . . . . . 184 LEU MD2 . 51792 1 282 . 1 . 1 32 32 LEU HD22 H 1 0.906 0.00 . 2 . . . . . 184 LEU MD2 . 51792 1 283 . 1 . 1 32 32 LEU HD23 H 1 0.906 0.00 . 2 . . . . . 184 LEU MD2 . 51792 1 284 . 1 . 1 32 32 LEU CA C 13 55.570 0.03 . 1 . . . . . 184 LEU CA . 51792 1 285 . 1 . 1 32 32 LEU CB C 13 42.221 0.02 . 1 . . . . . 184 LEU CB . 51792 1 286 . 1 . 1 32 32 LEU CD1 C 13 24.041 0.00 . 2 . . . . . 184 LEU CD1 . 51792 1 287 . 1 . 1 32 32 LEU CD2 C 13 24.041 0.00 . 2 . . . . . 184 LEU CD2 . 51792 1 288 . 1 . 1 32 32 LEU N N 15 122.742 0.07 . 1 . . . . . 184 LEU N . 51792 1 289 . 1 . 1 33 33 ASN H H 1 8.415 0.00 . 1 . . . . . 185 ASN H . 51792 1 290 . 1 . 1 33 33 ASN HA H 1 4.647 0.00 . 1 . . . . . 185 ASN HA . 51792 1 291 . 1 . 1 33 33 ASN HB2 H 1 2.835 0.00 . 2 . . . . . 185 ASN HB2 . 51792 1 292 . 1 . 1 33 33 ASN HB3 H 1 2.835 0.00 . 2 . . . . . 185 ASN HB3 . 51792 1 293 . 1 . 1 33 33 ASN CA C 13 53.430 0.08 . 1 . . . . . 185 ASN CA . 51792 1 294 . 1 . 1 33 33 ASN CB C 13 38.768 0.01 . 1 . . . . . 185 ASN CB . 51792 1 295 . 1 . 1 33 33 ASN N N 15 119.263 0.04 . 1 . . . . . 185 ASN N . 51792 1 296 . 1 . 1 34 34 GLU H H 1 8.470 0.01 . 1 . . . . . 186 GLU H . 51792 1 297 . 1 . 1 34 34 GLU HA H 1 4.237 0.01 . 1 . . . . . 186 GLU HA . 51792 1 298 . 1 . 1 34 34 GLU HB2 H 1 2.023 0.00 . 2 . . . . . 186 GLU HB2 . 51792 1 299 . 1 . 1 34 34 GLU HB3 H 1 2.023 0.00 . 2 . . . . . 186 GLU HB3 . 51792 1 300 . 1 . 1 34 34 GLU HG2 H 1 2.285 0.00 . 2 . . . . . 186 GLU HG2 . 51792 1 301 . 1 . 1 34 34 GLU HG3 H 1 2.285 0.00 . 2 . . . . . 186 GLU HG3 . 51792 1 302 . 1 . 1 34 34 GLU CA C 13 57.244 0.02 . 1 . . . . . 186 GLU CA . 51792 1 303 . 1 . 1 34 34 GLU CB C 13 30.077 0.03 . 1 . . . . . 186 GLU CB . 51792 1 304 . 1 . 1 34 34 GLU CG C 13 35.738 0.00 . 1 . . . . . 186 GLU CG . 51792 1 305 . 1 . 1 34 34 GLU N N 15 121.733 0.09 . 1 . . . . . 186 GLU N . 51792 1 306 . 1 . 1 35 35 ALA H H 1 8.440 0.01 . 1 . . . . . 187 ALA H . 51792 1 307 . 1 . 1 35 35 ALA HA H 1 4.279 0.00 . 1 . . . . . 187 ALA HA . 51792 1 308 . 1 . 1 35 35 ALA HB1 H 1 1.432 0.01 . 1 . . . . . 187 ALA MB . 51792 1 309 . 1 . 1 35 35 ALA HB2 H 1 1.432 0.01 . 1 . . . . . 187 ALA MB . 51792 1 310 . 1 . 1 35 35 ALA HB3 H 1 1.432 0.01 . 1 . . . . . 187 ALA MB . 51792 1 311 . 1 . 1 35 35 ALA CA C 13 53.347 0.02 . 1 . . . . . 187 ALA CA . 51792 1 312 . 1 . 1 35 35 ALA CB C 13 18.847 0.04 . 1 . . . . . 187 ALA CB . 51792 1 313 . 1 . 1 35 35 ALA N N 15 124.345 0.09 . 1 . . . . . 187 ALA N . 51792 1 314 . 1 . 1 36 36 SER H H 1 8.306 0.00 . 1 . . . . . 188 SER H . 51792 1 315 . 1 . 1 36 36 SER HA H 1 4.402 0.00 . 1 . . . . . 188 SER HA . 51792 1 316 . 1 . 1 36 36 SER HB2 H 1 3.924 0.00 . 2 . . . . . 188 SER HB2 . 51792 1 317 . 1 . 1 36 36 SER HB3 H 1 3.924 0.00 . 2 . . . . . 188 SER HB3 . 51792 1 318 . 1 . 1 36 36 SER CA C 13 58.789 0.04 . 1 . . . . . 188 SER CA . 51792 1 319 . 1 . 1 36 36 SER CB C 13 63.556 0.02 . 1 . . . . . 188 SER CB . 51792 1 320 . 1 . 1 36 36 SER N N 15 114.373 0.06 . 1 . . . . . 188 SER N . 51792 1 321 . 1 . 1 37 37 SER H H 1 8.332 0.01 . 1 . . . . . 189 SER H . 51792 1 322 . 1 . 1 37 37 SER HA H 1 4.439 0.01 . 1 . . . . . 189 SER HA . 51792 1 323 . 1 . 1 37 37 SER HB2 H 1 3.908 0.00 . 2 . . . . . 189 SER HB2 . 51792 1 324 . 1 . 1 37 37 SER HB3 H 1 3.908 0.00 . 2 . . . . . 189 SER HB3 . 51792 1 325 . 1 . 1 37 37 SER CA C 13 58.674 0.03 . 1 . . . . . 189 SER CA . 51792 1 326 . 1 . 1 37 37 SER CB C 13 63.655 0.00 . 1 . . . . . 189 SER CB . 51792 1 327 . 1 . 1 37 37 SER N N 15 117.815 0.01 . 1 . . . . . 189 SER N . 51792 1 328 . 1 . 1 38 38 LYS H H 1 8.288 0.01 . 1 . . . . . 190 LYS H . 51792 1 329 . 1 . 1 38 38 LYS HA H 1 4.232 0.01 . 1 . . . . . 190 LYS HA . 51792 1 330 . 1 . 1 38 38 LYS HB2 H 1 1.738 0.00 . 2 . . . . . 190 LYS HB2 . 51792 1 331 . 1 . 1 38 38 LYS HB3 H 1 1.738 0.00 . 2 . . . . . 190 LYS HB3 . 51792 1 332 . 1 . 1 38 38 LYS HG2 H 1 1.358 0.00 . 2 . . . . . 190 LYS HG2 . 51792 1 333 . 1 . 1 38 38 LYS HG3 H 1 1.358 0.00 . 2 . . . . . 190 LYS HG3 . 51792 1 334 . 1 . 1 38 38 LYS HD2 H 1 1.695 0.00 . 2 . . . . . 190 LYS HD2 . 51792 1 335 . 1 . 1 38 38 LYS HD3 H 1 1.695 0.00 . 2 . . . . . 190 LYS HD3 . 51792 1 336 . 1 . 1 38 38 LYS HE2 H 1 2.982 0.00 . 2 . . . . . 190 LYS HE2 . 51792 1 337 . 1 . 1 38 38 LYS HE3 H 1 2.982 0.00 . 2 . . . . . 190 LYS HE3 . 51792 1 338 . 1 . 1 38 38 LYS CA C 13 56.707 0.06 . 1 . . . . . 190 LYS CA . 51792 1 339 . 1 . 1 38 38 LYS CB C 13 32.625 0.02 . 1 . . . . . 190 LYS CB . 51792 1 340 . 1 . 1 38 38 LYS CG C 13 24.255 0.00 . 1 . . . . . 190 LYS CG . 51792 1 341 . 1 . 1 38 38 LYS CD C 13 29.142 0.00 . 1 . . . . . 190 LYS CD . 51792 1 342 . 1 . 1 38 38 LYS CE C 13 42.143 0.00 . 1 . . . . . 190 LYS CE . 51792 1 343 . 1 . 1 38 38 LYS N N 15 122.739 0.08 . 1 . . . . . 190 LYS N . 51792 1 344 . 1 . 1 39 39 HIS H H 1 8.276 0.00 . 1 . . . . . 191 HIS H . 51792 1 345 . 1 . 1 39 39 HIS HA H 1 4.646 0.01 . 1 . . . . . 191 HIS HA . 51792 1 346 . 1 . 1 39 39 HIS HB2 H 1 3.102 0.00 . 1 . . . . . 191 HIS HB2 . 51792 1 347 . 1 . 1 39 39 HIS HB3 H 1 3.017 0.00 . 1 . . . . . 191 HIS HB3 . 51792 1 348 . 1 . 1 39 39 HIS CA C 13 56.180 0.09 . 1 . . . . . 191 HIS CA . 51792 1 349 . 1 . 1 39 39 HIS CB C 13 30.707 0.06 . 1 . . . . . 191 HIS CB . 51792 1 350 . 1 . 1 39 39 HIS N N 15 119.772 0.09 . 1 . . . . . 191 HIS N . 51792 1 351 . 1 . 1 40 40 SER H H 1 8.277 0.00 . 1 . . . . . 192 SER H . 51792 1 352 . 1 . 1 40 40 SER HA H 1 4.422 0.01 . 1 . . . . . 192 SER HA . 51792 1 353 . 1 . 1 40 40 SER HB2 H 1 3.821 0.01 . 2 . . . . . 192 SER HB2 . 51792 1 354 . 1 . 1 40 40 SER HB3 H 1 3.821 0.01 . 2 . . . . . 192 SER HB3 . 51792 1 355 . 1 . 1 40 40 SER CA C 13 58.361 0.07 . 1 . . . . . 192 SER CA . 51792 1 356 . 1 . 1 40 40 SER CB C 13 63.756 0.02 . 1 . . . . . 192 SER CB . 51792 1 357 . 1 . 1 40 40 SER N N 15 116.875 0.04 . 1 . . . . . 192 SER N . 51792 1 358 . 1 . 1 41 41 TYR H H 1 8.393 0.00 . 1 . . . . . 193 TYR H . 51792 1 359 . 1 . 1 41 41 TYR HA H 1 4.555 0.01 . 1 . . . . . 193 TYR HA . 51792 1 360 . 1 . 1 41 41 TYR HB2 H 1 2.992 0.01 . 2 . . . . . 193 TYR HB2 . 51792 1 361 . 1 . 1 41 41 TYR HB3 H 1 2.992 0.01 . 2 . . . . . 193 TYR HB3 . 51792 1 362 . 1 . 1 41 41 TYR CA C 13 58.040 0.06 . 1 . . . . . 193 TYR CA . 51792 1 363 . 1 . 1 41 41 TYR CB C 13 38.753 0.02 . 1 . . . . . 193 TYR CB . 51792 1 364 . 1 . 1 41 41 TYR N N 15 123.030 0.04 . 1 . . . . . 193 TYR N . 51792 1 365 . 1 . 1 42 42 LYS H H 1 8.231 0.00 . 1 . . . . . 194 LYS H . 51792 1 366 . 1 . 1 42 42 LYS CA C 13 53.622 0.00 . 1 . . . . . 194 LYS CA . 51792 1 367 . 1 . 1 42 42 LYS CB C 13 32.861 0.00 . 1 . . . . . 194 LYS CB . 51792 1 368 . 1 . 1 42 42 LYS N N 15 126.241 0.05 . 1 . . . . . 194 LYS N . 51792 1 369 . 1 . 1 43 43 PRO HA H 1 4.285 0.01 . 1 . . . . . 195 PRO HA . 51792 1 370 . 1 . 1 43 43 PRO HB2 H 1 2.246 0.00 . 1 . . . . . 195 PRO HB2 . 51792 1 371 . 1 . 1 43 43 PRO HB3 H 1 1.749 0.02 . 1 . . . . . 195 PRO HB3 . 51792 1 372 . 1 . 1 43 43 PRO HG2 H 1 1.969 0.01 . 2 . . . . . 195 PRO HG2 . 51792 1 373 . 1 . 1 43 43 PRO HG3 H 1 1.969 0.01 . 2 . . . . . 195 PRO HG3 . 51792 1 374 . 1 . 1 43 43 PRO HD2 H 1 3.575 0.00 . 2 . . . . . 195 PRO HD2 . 51792 1 375 . 1 . 1 43 43 PRO HD3 H 1 3.575 0.00 . 2 . . . . . 195 PRO HD3 . 51792 1 376 . 1 . 1 43 43 PRO CA C 13 62.994 0.02 . 1 . . . . . 195 PRO CA . 51792 1 377 . 1 . 1 43 43 PRO CB C 13 32.031 0.02 . 1 . . . . . 195 PRO CB . 51792 1 378 . 1 . 1 43 43 PRO CG C 13 27.313 0.02 . 1 . . . . . 195 PRO CG . 51792 1 379 . 1 . 1 43 43 PRO CD C 13 50.565 0.08 . 1 . . . . . 195 PRO CD . 51792 1 380 . 1 . 1 44 44 GLN H H 1 8.581 0.00 . 1 . . . . . 196 GLN H . 51792 1 381 . 1 . 1 44 44 GLN HA H 1 4.230 0.01 . 1 . . . . . 196 GLN HA . 51792 1 382 . 1 . 1 44 44 GLN HB2 H 1 1.952 0.02 . 2 . . . . . 196 GLN HB2 . 51792 1 383 . 1 . 1 44 44 GLN HB3 H 1 1.952 0.02 . 2 . . . . . 196 GLN HB3 . 51792 1 384 . 1 . 1 44 44 GLN HG2 H 1 2.293 0.00 . 2 . . . . . 196 GLN HG2 . 51792 1 385 . 1 . 1 44 44 GLN HG3 H 1 2.293 0.00 . 2 . . . . . 196 GLN HG3 . 51792 1 386 . 1 . 1 44 44 GLN CA C 13 55.768 0.05 . 1 . . . . . 196 GLN CA . 51792 1 387 . 1 . 1 44 44 GLN CB C 13 29.569 0.08 . 1 . . . . . 196 GLN CB . 51792 1 388 . 1 . 1 44 44 GLN CG C 13 33.608 0.00 . 1 . . . . . 196 GLN CG . 51792 1 389 . 1 . 1 44 44 GLN N N 15 120.566 0.05 . 1 . . . . . 196 GLN N . 51792 1 390 . 1 . 1 45 45 TYR H H 1 8.297 0.01 . 1 . . . . . 197 TYR H . 51792 1 391 . 1 . 1 45 45 TYR HA H 1 4.638 0.00 . 1 . . . . . 197 TYR HA . 51792 1 392 . 1 . 1 45 45 TYR HB2 H 1 2.969 0.01 . 2 . . . . . 197 TYR HB2 . 51792 1 393 . 1 . 1 45 45 TYR HB3 H 1 2.969 0.01 . 2 . . . . . 197 TYR HB3 . 51792 1 394 . 1 . 1 45 45 TYR CA C 13 57.534 0.03 . 1 . . . . . 197 TYR CA . 51792 1 395 . 1 . 1 45 45 TYR CB C 13 38.972 0.04 . 1 . . . . . 197 TYR CB . 51792 1 396 . 1 . 1 45 45 TYR N N 15 121.602 0.15 . 1 . . . . . 197 TYR N . 51792 1 397 . 1 . 1 46 46 VAL H H 1 8.217 0.00 . 1 . . . . . 198 VAL H . 51792 1 398 . 1 . 1 46 46 VAL HA H 1 4.074 0.01 . 1 . . . . . 198 VAL HA . 51792 1 399 . 1 . 1 46 46 VAL HB H 1 1.969 0.01 . 1 . . . . . 198 VAL HB . 51792 1 400 . 1 . 1 46 46 VAL HG11 H 1 0.898 0.00 . 2 . . . . . 198 VAL MG1 . 51792 1 401 . 1 . 1 46 46 VAL HG12 H 1 0.898 0.00 . 2 . . . . . 198 VAL MG1 . 51792 1 402 . 1 . 1 46 46 VAL HG13 H 1 0.898 0.00 . 2 . . . . . 198 VAL MG1 . 51792 1 403 . 1 . 1 46 46 VAL HG21 H 1 0.898 0.00 . 2 . . . . . 198 VAL MG2 . 51792 1 404 . 1 . 1 46 46 VAL HG22 H 1 0.898 0.00 . 2 . . . . . 198 VAL MG2 . 51792 1 405 . 1 . 1 46 46 VAL HG23 H 1 0.898 0.00 . 2 . . . . . 198 VAL MG2 . 51792 1 406 . 1 . 1 46 46 VAL CA C 13 62.054 0.06 . 1 . . . . . 198 VAL CA . 51792 1 407 . 1 . 1 46 46 VAL CB C 13 33.099 0.02 . 1 . . . . . 198 VAL CB . 51792 1 408 . 1 . 1 46 46 VAL CG1 C 13 20.868 0.00 . 2 . . . . . 198 VAL CG1 . 51792 1 409 . 1 . 1 46 46 VAL CG2 C 13 20.868 0.00 . 2 . . . . . 198 VAL CG2 . 51792 1 410 . 1 . 1 46 46 VAL N N 15 123.829 0.05 . 1 . . . . . 198 VAL N . 51792 1 411 . 1 . 1 47 47 VAL H H 1 8.388 0.00 . 1 . . . . . 199 VAL H . 51792 1 412 . 1 . 1 47 47 VAL HA H 1 4.034 0.02 . 1 . . . . . 199 VAL HA . 51792 1 413 . 1 . 1 47 47 VAL HB H 1 2.052 0.03 . 1 . . . . . 199 VAL HB . 51792 1 414 . 1 . 1 47 47 VAL HG11 H 1 0.946 0.00 . 2 . . . . . 199 VAL MG1 . 51792 1 415 . 1 . 1 47 47 VAL HG12 H 1 0.946 0.00 . 2 . . . . . 199 VAL MG1 . 51792 1 416 . 1 . 1 47 47 VAL HG13 H 1 0.946 0.00 . 2 . . . . . 199 VAL MG1 . 51792 1 417 . 1 . 1 47 47 VAL HG21 H 1 0.946 0.00 . 2 . . . . . 199 VAL MG2 . 51792 1 418 . 1 . 1 47 47 VAL HG22 H 1 0.946 0.00 . 2 . . . . . 199 VAL MG2 . 51792 1 419 . 1 . 1 47 47 VAL HG23 H 1 0.946 0.00 . 2 . . . . . 199 VAL MG2 . 51792 1 420 . 1 . 1 47 47 VAL CA C 13 62.352 0.06 . 1 . . . . . 199 VAL CA . 51792 1 421 . 1 . 1 47 47 VAL CB C 13 32.710 0.08 . 1 . . . . . 199 VAL CB . 51792 1 422 . 1 . 1 47 47 VAL CG1 C 13 20.847 0.00 . 2 . . . . . 199 VAL CG1 . 51792 1 423 . 1 . 1 47 47 VAL CG2 C 13 20.847 0.00 . 2 . . . . . 199 VAL CG2 . 51792 1 424 . 1 . 1 47 47 VAL N N 15 125.296 0.04 . 1 . . . . . 199 VAL N . 51792 1 425 . 1 . 1 48 48 ASN H H 1 8.695 0.00 . 1 . . . . . 200 ASN H . 51792 1 426 . 1 . 1 48 48 ASN HA H 1 4.741 0.00 . 1 . . . . . 200 ASN HA . 51792 1 427 . 1 . 1 48 48 ASN HB2 H 1 2.842 0.00 . 2 . . . . . 200 ASN HB2 . 51792 1 428 . 1 . 1 48 48 ASN HB3 H 1 2.842 0.00 . 2 . . . . . 200 ASN HB3 . 51792 1 429 . 1 . 1 48 48 ASN CA C 13 52.932 0.01 . 1 . . . . . 200 ASN CA . 51792 1 430 . 1 . 1 48 48 ASN CB C 13 38.925 0.03 . 1 . . . . . 200 ASN CB . 51792 1 431 . 1 . 1 48 48 ASN N N 15 123.453 0.09 . 1 . . . . . 200 ASN N . 51792 1 432 . 1 . 1 49 49 ASN H H 1 8.630 0.00 . 1 . . . . . 201 ASN H . 51792 1 433 . 1 . 1 49 49 ASN HA H 1 4.707 0.00 . 1 . . . . . 201 ASN HA . 51792 1 434 . 1 . 1 49 49 ASN HB2 H 1 2.823 0.01 . 2 . . . . . 201 ASN HB2 . 51792 1 435 . 1 . 1 49 49 ASN HB3 H 1 2.823 0.01 . 2 . . . . . 201 ASN HB3 . 51792 1 436 . 1 . 1 49 49 ASN CA C 13 53.191 0.11 . 1 . . . . . 201 ASN CA . 51792 1 437 . 1 . 1 49 49 ASN CB C 13 38.816 0.09 . 1 . . . . . 201 ASN CB . 51792 1 438 . 1 . 1 49 49 ASN N N 15 120.662 0.10 . 1 . . . . . 201 ASN N . 51792 1 439 . 1 . 1 50 50 ALA H H 1 8.438 0.00 . 1 . . . . . 202 ALA H . 51792 1 440 . 1 . 1 50 50 ALA HA H 1 4.272 0.01 . 1 . . . . . 202 ALA HA . 51792 1 441 . 1 . 1 50 50 ALA HB1 H 1 1.428 0.01 . 1 . . . . . 202 ALA MB . 51792 1 442 . 1 . 1 50 50 ALA HB2 H 1 1.428 0.01 . 1 . . . . . 202 ALA MB . 51792 1 443 . 1 . 1 50 50 ALA HB3 H 1 1.428 0.01 . 1 . . . . . 202 ALA MB . 51792 1 444 . 1 . 1 50 50 ALA CA C 13 53.310 0.05 . 1 . . . . . 202 ALA CA . 51792 1 445 . 1 . 1 50 50 ALA CB C 13 18.890 0.04 . 1 . . . . . 202 ALA CB . 51792 1 446 . 1 . 1 50 50 ALA N N 15 124.584 0.06 . 1 . . . . . 202 ALA N . 51792 1 447 . 1 . 1 51 51 GLY H H 1 8.445 0.01 . 1 . . . . . 203 GLY H . 51792 1 448 . 1 . 1 51 51 GLY HA2 H 1 3.935 0.00 . 2 . . . . . 203 GLY HA2 . 51792 1 449 . 1 . 1 51 51 GLY HA3 H 1 3.935 0.00 . 2 . . . . . 203 GLY HA3 . 51792 1 450 . 1 . 1 51 51 GLY CA C 13 45.422 0.06 . 1 . . . . . 203 GLY CA . 51792 1 451 . 1 . 1 51 51 GLY N N 15 107.576 0.05 . 1 . . . . . 203 GLY N . 51792 1 452 . 1 . 1 52 52 LEU H H 1 8.055 0.00 . 1 . . . . . 204 LEU H . 51792 1 453 . 1 . 1 52 52 LEU HA H 1 4.355 0.01 . 1 . . . . . 204 LEU HA . 51792 1 454 . 1 . 1 52 52 LEU HB2 H 1 1.630 0.01 . 2 . . . . . 204 LEU HB2 . 51792 1 455 . 1 . 1 52 52 LEU HB3 H 1 1.630 0.01 . 2 . . . . . 204 LEU HB3 . 51792 1 456 . 1 . 1 52 52 LEU HG H 1 1.641 0.00 . 1 . . . . . 204 LEU HG . 51792 1 457 . 1 . 1 52 52 LEU HD11 H 1 0.911 0.00 . 2 . . . . . 204 LEU MD1 . 51792 1 458 . 1 . 1 52 52 LEU HD12 H 1 0.911 0.00 . 2 . . . . . 204 LEU MD1 . 51792 1 459 . 1 . 1 52 52 LEU HD13 H 1 0.911 0.00 . 2 . . . . . 204 LEU MD1 . 51792 1 460 . 1 . 1 52 52 LEU HD21 H 1 0.911 0.00 . 2 . . . . . 204 LEU MD2 . 51792 1 461 . 1 . 1 52 52 LEU HD22 H 1 0.911 0.00 . 2 . . . . . 204 LEU MD2 . 51792 1 462 . 1 . 1 52 52 LEU HD23 H 1 0.911 0.00 . 2 . . . . . 204 LEU MD2 . 51792 1 463 . 1 . 1 52 52 LEU CA C 13 55.316 0.04 . 1 . . . . . 204 LEU CA . 51792 1 464 . 1 . 1 52 52 LEU CB C 13 42.256 0.03 . 1 . . . . . 204 LEU CB . 51792 1 465 . 1 . 1 52 52 LEU CG C 13 26.658 0.00 . 1 . . . . . 204 LEU CG . 51792 1 466 . 1 . 1 52 52 LEU CD1 C 13 23.783 0.00 . 2 . . . . . 204 LEU CD1 . 51792 1 467 . 1 . 1 52 52 LEU CD2 C 13 23.783 0.00 . 2 . . . . . 204 LEU CD2 . 51792 1 468 . 1 . 1 52 52 LEU N N 15 121.368 0.05 . 1 . . . . . 204 LEU N . 51792 1 469 . 1 . 1 53 53 LEU H H 1 8.330 0.00 . 1 . . . . . 205 LEU H . 51792 1 470 . 1 . 1 53 53 LEU HA H 1 4.357 0.00 . 1 . . . . . 205 LEU HA . 51792 1 471 . 1 . 1 53 53 LEU HB2 H 1 1.640 0.01 . 2 . . . . . 205 LEU HB2 . 51792 1 472 . 1 . 1 53 53 LEU HB3 H 1 1.640 0.01 . 2 . . . . . 205 LEU HB3 . 51792 1 473 . 1 . 1 53 53 LEU HD11 H 1 0.930 0.00 . 2 . . . . . 205 LEU MD1 . 51792 1 474 . 1 . 1 53 53 LEU HD12 H 1 0.930 0.00 . 2 . . . . . 205 LEU MD1 . 51792 1 475 . 1 . 1 53 53 LEU HD13 H 1 0.930 0.00 . 2 . . . . . 205 LEU MD1 . 51792 1 476 . 1 . 1 53 53 LEU HD21 H 1 0.930 0.00 . 2 . . . . . 205 LEU MD2 . 51792 1 477 . 1 . 1 53 53 LEU HD22 H 1 0.930 0.00 . 2 . . . . . 205 LEU MD2 . 51792 1 478 . 1 . 1 53 53 LEU HD23 H 1 0.930 0.00 . 2 . . . . . 205 LEU MD2 . 51792 1 479 . 1 . 1 53 53 LEU CA C 13 55.336 0.04 . 1 . . . . . 205 LEU CA . 51792 1 480 . 1 . 1 53 53 LEU CB C 13 42.084 0.03 . 1 . . . . . 205 LEU CB . 51792 1 481 . 1 . 1 53 53 LEU CG C 13 27.857 0.00 . 1 . . . . . 205 LEU CG . 51792 1 482 . 1 . 1 53 53 LEU CD1 C 13 24.536 0.00 . 2 . . . . . 205 LEU CD1 . 51792 1 483 . 1 . 1 53 53 LEU CD2 C 13 24.536 0.00 . 2 . . . . . 205 LEU CD2 . 51792 1 484 . 1 . 1 53 53 LEU N N 15 122.371 0.05 . 1 . . . . . 205 LEU N . 51792 1 485 . 1 . 1 54 54 ASN H H 1 8.526 0.00 . 1 . . . . . 206 ASN H . 51792 1 486 . 1 . 1 54 54 ASN HA H 1 4.724 0.01 . 1 . . . . . 206 ASN HA . 51792 1 487 . 1 . 1 54 54 ASN HB2 H 1 2.848 0.00 . 2 . . . . . 206 ASN HB2 . 51792 1 488 . 1 . 1 54 54 ASN HB3 H 1 2.848 0.00 . 2 . . . . . 206 ASN HB3 . 51792 1 489 . 1 . 1 54 54 ASN CA C 13 53.416 0.03 . 1 . . . . . 206 ASN CA . 51792 1 490 . 1 . 1 54 54 ASN CB C 13 38.787 0.02 . 1 . . . . . 206 ASN CB . 51792 1 491 . 1 . 1 54 54 ASN N N 15 119.576 0.05 . 1 . . . . . 206 ASN N . 51792 1 492 . 1 . 1 55 55 SER H H 1 8.409 0.00 . 1 . . . . . 207 SER H . 51792 1 493 . 1 . 1 55 55 SER HA H 1 4.414 0.00 . 1 . . . . . 207 SER HA . 51792 1 494 . 1 . 1 55 55 SER HB2 H 1 3.924 0.00 . 2 . . . . . 207 SER HB2 . 51792 1 495 . 1 . 1 55 55 SER HB3 H 1 3.924 0.00 . 2 . . . . . 207 SER HB3 . 51792 1 496 . 1 . 1 55 55 SER CA C 13 58.741 0.03 . 1 . . . . . 207 SER CA . 51792 1 497 . 1 . 1 55 55 SER CB C 13 63.632 0.05 . 1 . . . . . 207 SER CB . 51792 1 498 . 1 . 1 55 55 SER N N 15 116.626 0.05 . 1 . . . . . 207 SER N . 51792 1 499 . 1 . 1 56 56 ALA H H 1 8.449 0.00 . 1 . . . . . 208 ALA H . 51792 1 500 . 1 . 1 56 56 ALA HA H 1 4.331 0.02 . 1 . . . . . 208 ALA HA . 51792 1 501 . 1 . 1 56 56 ALA HB1 H 1 1.424 0.01 . 1 . . . . . 208 ALA MB . 51792 1 502 . 1 . 1 56 56 ALA HB2 H 1 1.424 0.01 . 1 . . . . . 208 ALA MB . 51792 1 503 . 1 . 1 56 56 ALA HB3 H 1 1.424 0.01 . 1 . . . . . 208 ALA MB . 51792 1 504 . 1 . 1 56 56 ALA CA C 13 52.940 0.03 . 1 . . . . . 208 ALA CA . 51792 1 505 . 1 . 1 56 56 ALA CB C 13 19.000 0.06 . 1 . . . . . 208 ALA CB . 51792 1 506 . 1 . 1 56 56 ALA N N 15 125.622 0.05 . 1 . . . . . 208 ALA N . 51792 1 507 . 1 . 1 57 57 ASN H H 1 8.396 0.01 . 1 . . . . . 209 ASN H . 51792 1 508 . 1 . 1 57 57 ASN HA H 1 4.643 0.00 . 1 . . . . . 209 ASN HA . 51792 1 509 . 1 . 1 57 57 ASN HB2 H 1 2.766 0.00 . 2 . . . . . 209 ASN HB2 . 51792 1 510 . 1 . 1 57 57 ASN HB3 H 1 2.766 0.00 . 2 . . . . . 209 ASN HB3 . 51792 1 511 . 1 . 1 57 57 ASN CA C 13 53.144 0.09 . 1 . . . . . 209 ASN CA . 51792 1 512 . 1 . 1 57 57 ASN CB C 13 38.728 0.01 . 1 . . . . . 209 ASN CB . 51792 1 513 . 1 . 1 57 57 ASN N N 15 117.312 0.06 . 1 . . . . . 209 ASN N . 51792 1 514 . 1 . 1 58 58 ASN H H 1 8.400 0.01 . 1 . . . . . 210 ASN H . 51792 1 515 . 1 . 1 58 58 ASN CA C 13 53.397 0.01 . 1 . . . . . 210 ASN CA . 51792 1 516 . 1 . 1 58 58 ASN CB C 13 38.769 0.01 . 1 . . . . . 210 ASN CB . 51792 1 517 . 1 . 1 58 58 ASN N N 15 119.486 0.03 . 1 . . . . . 210 ASN N . 51792 1 518 . 1 . 1 59 59 ALA H H 1 8.424 0.00 . 1 . . . . . 211 ALA H . 51792 1 519 . 1 . 1 59 59 ALA HA H 1 4.355 0.00 . 1 . . . . . 211 ALA HA . 51792 1 520 . 1 . 1 59 59 ALA HB1 H 1 1.440 0.01 . 1 . . . . . 211 ALA MB . 51792 1 521 . 1 . 1 59 59 ALA HB2 H 1 1.440 0.01 . 1 . . . . . 211 ALA MB . 51792 1 522 . 1 . 1 59 59 ALA HB3 H 1 1.440 0.01 . 1 . . . . . 211 ALA MB . 51792 1 523 . 1 . 1 59 59 ALA CA C 13 53.075 0.03 . 1 . . . . . 211 ALA CA . 51792 1 524 . 1 . 1 59 59 ALA CB C 13 19.021 0.08 . 1 . . . . . 211 ALA CB . 51792 1 525 . 1 . 1 59 59 ALA N N 15 124.203 0.00 . 1 . . . . . 211 ALA N . 51792 1 526 . 1 . 1 60 60 SER H H 1 8.431 0.00 . 1 . . . . . 212 SER H . 51792 1 527 . 1 . 1 60 60 SER HA H 1 4.411 0.00 . 1 . . . . . 212 SER HA . 51792 1 528 . 1 . 1 60 60 SER HB2 H 1 3.942 0.00 . 2 . . . . . 212 SER HB2 . 51792 1 529 . 1 . 1 60 60 SER HB3 H 1 3.942 0.00 . 2 . . . . . 212 SER HB3 . 51792 1 530 . 1 . 1 60 60 SER CA C 13 58.865 0.02 . 1 . . . . . 212 SER CA . 51792 1 531 . 1 . 1 60 60 SER CB C 13 63.659 0.02 . 1 . . . . . 212 SER CB . 51792 1 532 . 1 . 1 60 60 SER N N 15 114.789 0.03 . 1 . . . . . 212 SER N . 51792 1 533 . 1 . 1 61 61 GLY H H 1 8.419 0.01 . 1 . . . . . 213 GLY H . 51792 1 534 . 1 . 1 61 61 GLY HA2 H 1 3.972 0.00 . 2 . . . . . 213 GLY HA2 . 51792 1 535 . 1 . 1 61 61 GLY HA3 H 1 3.972 0.00 . 2 . . . . . 213 GLY HA3 . 51792 1 536 . 1 . 1 61 61 GLY CA C 13 45.336 0.05 . 1 . . . . . 213 GLY CA . 51792 1 537 . 1 . 1 61 61 GLY N N 15 110.452 0.05 . 1 . . . . . 213 GLY N . 51792 1 538 . 1 . 1 62 62 ASN H H 1 8.385 0.01 . 1 . . . . . 214 ASN H . 51792 1 539 . 1 . 1 62 62 ASN HA H 1 4.748 0.00 . 1 . . . . . 214 ASN HA . 51792 1 540 . 1 . 1 62 62 ASN HB2 H 1 2.788 0.00 . 2 . . . . . 214 ASN HB2 . 51792 1 541 . 1 . 1 62 62 ASN HB3 H 1 2.788 0.00 . 2 . . . . . 214 ASN HB3 . 51792 1 542 . 1 . 1 62 62 ASN CA C 13 53.190 0.03 . 1 . . . . . 214 ASN CA . 51792 1 543 . 1 . 1 62 62 ASN CB C 13 38.834 0.04 . 1 . . . . . 214 ASN CB . 51792 1 544 . 1 . 1 62 62 ASN N N 15 118.928 0.05 . 1 . . . . . 214 ASN N . 51792 1 545 . 1 . 1 63 63 ILE H H 1 8.294 0.00 . 1 . . . . . 215 ILE H . 51792 1 546 . 1 . 1 63 63 ILE HA H 1 4.195 0.01 . 1 . . . . . 215 ILE HA . 51792 1 547 . 1 . 1 63 63 ILE HB H 1 1.925 0.01 . 1 . . . . . 215 ILE HB . 51792 1 548 . 1 . 1 63 63 ILE HG12 H 1 1.461 0.00 . 1 . . . . . 215 ILE HG12 . 51792 1 549 . 1 . 1 63 63 ILE HG13 H 1 1.202 0.00 . 1 . . . . . 215 ILE HG13 . 51792 1 550 . 1 . 1 63 63 ILE HG21 H 1 0.917 0.00 . 1 . . . . . 215 ILE MG . 51792 1 551 . 1 . 1 63 63 ILE HG22 H 1 0.917 0.00 . 1 . . . . . 215 ILE MG . 51792 1 552 . 1 . 1 63 63 ILE HG23 H 1 0.917 0.00 . 1 . . . . . 215 ILE MG . 51792 1 553 . 1 . 1 63 63 ILE CA C 13 61.474 0.02 . 1 . . . . . 215 ILE CA . 51792 1 554 . 1 . 1 63 63 ILE CB C 13 38.593 0.08 . 1 . . . . . 215 ILE CB . 51792 1 555 . 1 . 1 63 63 ILE CG1 C 13 27.368 0.00 . 1 . . . . . 215 ILE CG1 . 51792 1 556 . 1 . 1 63 63 ILE CG2 C 13 17.409 0.00 . 1 . . . . . 215 ILE CG2 . 51792 1 557 . 1 . 1 63 63 ILE CD1 C 13 12.889 0.00 . 1 . . . . . 215 ILE CD1 . 51792 1 558 . 1 . 1 63 63 ILE N N 15 121.283 0.01 . 1 . . . . . 215 ILE N . 51792 1 559 . 1 . 1 64 64 GLY H H 1 8.637 0.00 . 1 . . . . . 216 GLY H . 51792 1 560 . 1 . 1 64 64 GLY HA2 H 1 3.968 0.00 . 2 . . . . . 216 GLY HA2 . 51792 1 561 . 1 . 1 64 64 GLY HA3 H 1 3.968 0.00 . 2 . . . . . 216 GLY HA3 . 51792 1 562 . 1 . 1 64 64 GLY CA C 13 45.244 0.06 . 1 . . . . . 216 GLY CA . 51792 1 563 . 1 . 1 64 64 GLY N N 15 113.159 0.05 . 1 . . . . . 216 GLY N . 51792 1 564 . 1 . 1 65 65 VAL H H 1 8.116 0.00 . 1 . . . . . 217 VAL H . 51792 1 565 . 1 . 1 65 65 VAL HA H 1 4.118 0.01 . 1 . . . . . 217 VAL HA . 51792 1 566 . 1 . 1 65 65 VAL HB H 1 2.075 0.01 . 1 . . . . . 217 VAL HB . 51792 1 567 . 1 . 1 65 65 VAL HG11 H 1 0.930 0.00 . 2 . . . . . 217 VAL MG1 . 51792 1 568 . 1 . 1 65 65 VAL HG12 H 1 0.930 0.00 . 2 . . . . . 217 VAL MG1 . 51792 1 569 . 1 . 1 65 65 VAL HG13 H 1 0.930 0.00 . 2 . . . . . 217 VAL MG1 . 51792 1 570 . 1 . 1 65 65 VAL HG21 H 1 0.930 0.00 . 2 . . . . . 217 VAL MG2 . 51792 1 571 . 1 . 1 65 65 VAL HG22 H 1 0.930 0.00 . 2 . . . . . 217 VAL MG2 . 51792 1 572 . 1 . 1 65 65 VAL HG23 H 1 0.930 0.00 . 2 . . . . . 217 VAL MG2 . 51792 1 573 . 1 . 1 65 65 VAL CA C 13 62.250 0.02 . 1 . . . . . 217 VAL CA . 51792 1 574 . 1 . 1 65 65 VAL CB C 13 32.775 0.03 . 1 . . . . . 217 VAL CB . 51792 1 575 . 1 . 1 65 65 VAL CG1 C 13 20.715 0.00 . 2 . . . . . 217 VAL CG1 . 51792 1 576 . 1 . 1 65 65 VAL CG2 C 13 20.715 0.00 . 2 . . . . . 217 VAL CG2 . 51792 1 577 . 1 . 1 65 65 VAL N N 15 119.406 0.03 . 1 . . . . . 217 VAL N . 51792 1 578 . 1 . 1 66 66 ASN H H 1 8.715 0.00 . 1 . . . . . 218 ASN H . 51792 1 579 . 1 . 1 66 66 ASN HA H 1 4.763 0.00 . 1 . . . . . 218 ASN HA . 51792 1 580 . 1 . 1 66 66 ASN HB2 H 1 2.784 0.01 . 2 . . . . . 218 ASN HB2 . 51792 1 581 . 1 . 1 66 66 ASN HB3 H 1 2.784 0.01 . 2 . . . . . 218 ASN HB3 . 51792 1 582 . 1 . 1 66 66 ASN CA C 13 53.167 0.02 . 1 . . . . . 218 ASN CA . 51792 1 583 . 1 . 1 66 66 ASN CB C 13 38.791 0.03 . 1 . . . . . 218 ASN CB . 51792 1 584 . 1 . 1 66 66 ASN N N 15 122.981 0.04 . 1 . . . . . 218 ASN N . 51792 1 585 . 1 . 1 67 67 VAL H H 1 8.310 0.00 . 1 . . . . . 219 VAL H . 51792 1 586 . 1 . 1 67 67 VAL HA H 1 4.079 0.00 . 1 . . . . . 219 VAL HA . 51792 1 587 . 1 . 1 67 67 VAL HB H 1 2.096 0.00 . 1 . . . . . 219 VAL HB . 51792 1 588 . 1 . 1 67 67 VAL HG11 H 1 0.948 0.00 . 2 . . . . . 219 VAL MG1 . 51792 1 589 . 1 . 1 67 67 VAL HG12 H 1 0.948 0.00 . 2 . . . . . 219 VAL MG1 . 51792 1 590 . 1 . 1 67 67 VAL HG13 H 1 0.948 0.00 . 2 . . . . . 219 VAL MG1 . 51792 1 591 . 1 . 1 67 67 VAL HG21 H 1 0.948 0.00 . 2 . . . . . 219 VAL MG2 . 51792 1 592 . 1 . 1 67 67 VAL HG22 H 1 0.948 0.00 . 2 . . . . . 219 VAL MG2 . 51792 1 593 . 1 . 1 67 67 VAL HG23 H 1 0.948 0.00 . 2 . . . . . 219 VAL MG2 . 51792 1 594 . 1 . 1 67 67 VAL CA C 13 62.425 0.02 . 1 . . . . . 219 VAL CA . 51792 1 595 . 1 . 1 67 67 VAL CB C 13 32.663 0.02 . 1 . . . . . 219 VAL CB . 51792 1 596 . 1 . 1 67 67 VAL CG1 C 13 20.598 0.00 . 2 . . . . . 219 VAL CG1 . 51792 1 597 . 1 . 1 67 67 VAL CG2 C 13 20.598 0.00 . 2 . . . . . 219 VAL CG2 . 51792 1 598 . 1 . 1 67 67 VAL N N 15 121.593 0.06 . 1 . . . . . 219 VAL N . 51792 1 599 . 1 . 1 68 68 ALA H H 1 8.519 0.00 . 1 . . . . . 220 ALA H . 51792 1 600 . 1 . 1 68 68 ALA HA H 1 4.296 0.01 . 1 . . . . . 220 ALA HA . 51792 1 601 . 1 . 1 68 68 ALA HB1 H 1 1.407 0.01 . 1 . . . . . 220 ALA MB . 51792 1 602 . 1 . 1 68 68 ALA HB2 H 1 1.407 0.01 . 1 . . . . . 220 ALA MB . 51792 1 603 . 1 . 1 68 68 ALA HB3 H 1 1.407 0.01 . 1 . . . . . 220 ALA MB . 51792 1 604 . 1 . 1 68 68 ALA CA C 13 52.584 0.08 . 1 . . . . . 220 ALA CA . 51792 1 605 . 1 . 1 68 68 ALA CB C 13 19.048 0.01 . 1 . . . . . 220 ALA CB . 51792 1 606 . 1 . 1 68 68 ALA N N 15 127.867 0.00 . 1 . . . . . 220 ALA N . 51792 1 607 . 1 . 1 69 69 ALA H H 1 8.398 0.00 . 1 . . . . . 221 ALA H . 51792 1 608 . 1 . 1 69 69 ALA HA H 1 4.293 0.00 . 1 . . . . . 221 ALA HA . 51792 1 609 . 1 . 1 69 69 ALA HB1 H 1 1.420 0.01 . 1 . . . . . 221 ALA MB . 51792 1 610 . 1 . 1 69 69 ALA HB2 H 1 1.420 0.01 . 1 . . . . . 221 ALA MB . 51792 1 611 . 1 . 1 69 69 ALA HB3 H 1 1.420 0.01 . 1 . . . . . 221 ALA MB . 51792 1 612 . 1 . 1 69 69 ALA CA C 13 52.793 0.02 . 1 . . . . . 221 ALA CA . 51792 1 613 . 1 . 1 69 69 ALA CB C 13 19.081 0.03 . 1 . . . . . 221 ALA CB . 51792 1 614 . 1 . 1 69 69 ALA N N 15 123.703 0.02 . 1 . . . . . 221 ALA N . 51792 1 615 . 1 . 1 70 70 GLY H H 1 8.480 0.00 . 1 . . . . . 222 GLY H . 51792 1 616 . 1 . 1 70 70 GLY HA2 H 1 3.983 0.00 . 1 . . . . . 222 GLY HA2 . 51792 1 617 . 1 . 1 70 70 GLY HA3 H 1 4.050 0.01 . 1 . . . . . 222 GLY HA3 . 51792 1 618 . 1 . 1 70 70 GLY CA C 13 45.237 0.10 . 1 . . . . . 222 GLY CA . 51792 1 619 . 1 . 1 70 70 GLY N N 15 108.520 0.05 . 1 . . . . . 222 GLY N . 51792 1 620 . 1 . 1 71 71 ALA H H 1 8.338 0.00 . 1 . . . . . 223 ALA H . 51792 1 621 . 1 . 1 71 71 ALA HA H 1 4.332 0.01 . 1 . . . . . 223 ALA HA . 51792 1 622 . 1 . 1 71 71 ALA HB1 H 1 1.428 0.01 . 1 . . . . . 223 ALA MB . 51792 1 623 . 1 . 1 71 71 ALA HB2 H 1 1.428 0.01 . 1 . . . . . 223 ALA MB . 51792 1 624 . 1 . 1 71 71 ALA HB3 H 1 1.428 0.01 . 1 . . . . . 223 ALA MB . 51792 1 625 . 1 . 1 71 71 ALA CA C 13 52.786 0.03 . 1 . . . . . 223 ALA CA . 51792 1 626 . 1 . 1 71 71 ALA CB C 13 19.255 0.04 . 1 . . . . . 223 ALA CB . 51792 1 627 . 1 . 1 71 71 ALA N N 15 123.852 0.07 . 1 . . . . . 223 ALA N . 51792 1 628 . 1 . 1 72 72 GLY H H 1 8.594 0.00 . 1 . . . . . 224 GLY H . 51792 1 629 . 1 . 1 72 72 GLY HA2 H 1 3.965 0.00 . 2 . . . . . 224 GLY HA2 . 51792 1 630 . 1 . 1 72 72 GLY HA3 H 1 3.965 0.00 . 2 . . . . . 224 GLY HA3 . 51792 1 631 . 1 . 1 72 72 GLY CA C 13 45.311 0.06 . 1 . . . . . 224 GLY CA . 51792 1 632 . 1 . 1 72 72 GLY N N 15 108.067 0.03 . 1 . . . . . 224 GLY N . 51792 1 633 . 1 . 1 73 73 ASN H H 1 8.429 0.00 . 1 . . . . . 225 ASN H . 51792 1 634 . 1 . 1 73 73 ASN HA H 1 4.741 0.01 . 1 . . . . . 225 ASN HA . 51792 1 635 . 1 . 1 73 73 ASN HB2 H 1 2.836 0.01 . 2 . . . . . 225 ASN HB2 . 51792 1 636 . 1 . 1 73 73 ASN HB3 H 1 2.836 0.01 . 2 . . . . . 225 ASN HB3 . 51792 1 637 . 1 . 1 73 73 ASN CA C 13 53.282 0.03 . 1 . . . . . 225 ASN CA . 51792 1 638 . 1 . 1 73 73 ASN CB C 13 38.773 0.02 . 1 . . . . . 225 ASN CB . 51792 1 639 . 1 . 1 73 73 ASN N N 15 118.699 0.08 . 1 . . . . . 225 ASN N . 51792 1 640 . 1 . 1 74 74 GLN H H 1 8.606 0.00 . 1 . . . . . 226 GLN H . 51792 1 641 . 1 . 1 74 74 GLN HA H 1 4.332 0.00 . 1 . . . . . 226 GLN HA . 51792 1 642 . 1 . 1 74 74 GLN HB2 H 1 2.077 0.01 . 2 . . . . . 226 GLN HB2 . 51792 1 643 . 1 . 1 74 74 GLN HB3 H 1 2.077 0.01 . 2 . . . . . 226 GLN HB3 . 51792 1 644 . 1 . 1 74 74 GLN HG2 H 1 2.388 0.01 . 2 . . . . . 226 GLN HG2 . 51792 1 645 . 1 . 1 74 74 GLN HG3 H 1 2.388 0.01 . 2 . . . . . 226 GLN HG3 . 51792 1 646 . 1 . 1 74 74 GLN CA C 13 56.159 0.02 . 1 . . . . . 226 GLN CA . 51792 1 647 . 1 . 1 74 74 GLN CB C 13 29.191 0.02 . 1 . . . . . 226 GLN CB . 51792 1 648 . 1 . 1 74 74 GLN CG C 13 33.699 0.00 . 1 . . . . . 226 GLN CG . 51792 1 649 . 1 . 1 74 74 GLN N N 15 120.821 0.05 . 1 . . . . . 226 GLN N . 51792 1 650 . 1 . 1 75 75 GLN H H 1 8.605 0.00 . 1 . . . . . 227 GLN H . 51792 1 651 . 1 . 1 75 75 GLN HA H 1 4.359 0.01 . 1 . . . . . 227 GLN HA . 51792 1 652 . 1 . 1 75 75 GLN HB2 H 1 2.094 0.01 . 2 . . . . . 227 GLN HB2 . 51792 1 653 . 1 . 1 75 75 GLN HB3 H 1 2.094 0.01 . 2 . . . . . 227 GLN HB3 . 51792 1 654 . 1 . 1 75 75 GLN HG2 H 1 2.401 0.00 . 2 . . . . . 227 GLN HG2 . 51792 1 655 . 1 . 1 75 75 GLN HG3 H 1 2.401 0.00 . 2 . . . . . 227 GLN HG3 . 51792 1 656 . 1 . 1 75 75 GLN CA C 13 56.146 0.08 . 1 . . . . . 227 GLN CA . 51792 1 657 . 1 . 1 75 75 GLN CB C 13 29.340 0.02 . 1 . . . . . 227 GLN CB . 51792 1 658 . 1 . 1 75 75 GLN CG C 13 33.881 0.00 . 1 . . . . . 227 GLN CG . 51792 1 659 . 1 . 1 75 75 GLN N N 15 121.507 0.08 . 1 . . . . . 227 GLN N . 51792 1 660 . 1 . 1 76 76 SER H H 1 8.551 0.00 . 1 . . . . . 228 SER H . 51792 1 661 . 1 . 1 76 76 SER HA H 1 4.419 0.00 . 1 . . . . . 228 SER HA . 51792 1 662 . 1 . 1 76 76 SER HB2 H 1 3.899 0.00 . 2 . . . . . 228 SER HB2 . 51792 1 663 . 1 . 1 76 76 SER HB3 H 1 3.899 0.00 . 2 . . . . . 228 SER HB3 . 51792 1 664 . 1 . 1 76 76 SER CA C 13 58.519 0.02 . 1 . . . . . 228 SER CA . 51792 1 665 . 1 . 1 76 76 SER CB C 13 63.679 0.01 . 1 . . . . . 228 SER CB . 51792 1 666 . 1 . 1 76 76 SER N N 15 117.220 0.04 . 1 . . . . . 228 SER N . 51792 1 667 . 1 . 1 77 77 ASN H H 1 8.663 0.00 . 1 . . . . . 229 ASN H . 51792 1 668 . 1 . 1 77 77 ASN HA H 1 4.811 0.00 . 1 . . . . . 229 ASN HA . 51792 1 669 . 1 . 1 77 77 ASN HB2 H 1 2.872 0.00 . 2 . . . . . 229 ASN HB2 . 51792 1 670 . 1 . 1 77 77 ASN HB3 H 1 2.872 0.00 . 2 . . . . . 229 ASN HB3 . 51792 1 671 . 1 . 1 77 77 ASN CA C 13 53.361 0.07 . 1 . . . . . 229 ASN CA . 51792 1 672 . 1 . 1 77 77 ASN CB C 13 38.724 0.06 . 1 . . . . . 229 ASN CB . 51792 1 673 . 1 . 1 77 77 ASN N N 15 121.273 0.01 . 1 . . . . . 229 ASN N . 51792 1 674 . 1 . 1 78 78 THR H H 1 8.278 0.00 . 1 . . . . . 230 THR H . 51792 1 675 . 1 . 1 78 78 THR HA H 1 4.288 0.01 . 1 . . . . . 230 THR HA . 51792 1 676 . 1 . 1 78 78 THR HG21 H 1 1.205 0.00 . 1 . . . . . 230 THR MG . 51792 1 677 . 1 . 1 78 78 THR HG22 H 1 1.205 0.00 . 1 . . . . . 230 THR MG . 51792 1 678 . 1 . 1 78 78 THR HG23 H 1 1.205 0.00 . 1 . . . . . 230 THR MG . 51792 1 679 . 1 . 1 78 78 THR CA C 13 62.405 0.02 . 1 . . . . . 230 THR CA . 51792 1 680 . 1 . 1 78 78 THR CB C 13 69.627 0.02 . 1 . . . . . 230 THR CB . 51792 1 681 . 1 . 1 78 78 THR CG2 C 13 21.340 0.00 . 1 . . . . . 230 THR CG2 . 51792 1 682 . 1 . 1 78 78 THR N N 15 114.763 0.05 . 1 . . . . . 230 THR N . 51792 1 683 . 1 . 1 79 79 LEU H H 1 8.396 0.00 . 1 . . . . . 231 LEU H . 51792 1 684 . 1 . 1 79 79 LEU HA H 1 4.434 0.01 . 1 . . . . . 231 LEU HA . 51792 1 685 . 1 . 1 79 79 LEU HB2 H 1 1.654 0.01 . 2 . . . . . 231 LEU HB2 . 51792 1 686 . 1 . 1 79 79 LEU HB3 H 1 1.654 0.01 . 2 . . . . . 231 LEU HB3 . 51792 1 687 . 1 . 1 79 79 LEU HD11 H 1 0.922 0.00 . 2 . . . . . 231 LEU MD1 . 51792 1 688 . 1 . 1 79 79 LEU HD12 H 1 0.922 0.00 . 2 . . . . . 231 LEU MD1 . 51792 1 689 . 1 . 1 79 79 LEU HD13 H 1 0.922 0.00 . 2 . . . . . 231 LEU MD1 . 51792 1 690 . 1 . 1 79 79 LEU HD21 H 1 0.922 0.00 . 2 . . . . . 231 LEU MD2 . 51792 1 691 . 1 . 1 79 79 LEU HD22 H 1 0.922 0.00 . 2 . . . . . 231 LEU MD2 . 51792 1 692 . 1 . 1 79 79 LEU HD23 H 1 0.922 0.00 . 2 . . . . . 231 LEU MD2 . 51792 1 693 . 1 . 1 79 79 LEU CA C 13 55.401 0.02 . 1 . . . . . 231 LEU CA . 51792 1 694 . 1 . 1 79 79 LEU CB C 13 42.257 0.02 . 1 . . . . . 231 LEU CB . 51792 1 695 . 1 . 1 79 79 LEU CG C 13 26.803 0.00 . 1 . . . . . 231 LEU CG . 51792 1 696 . 1 . 1 79 79 LEU CD1 C 13 23.935 0.00 . 2 . . . . . 231 LEU CD1 . 51792 1 697 . 1 . 1 79 79 LEU CD2 C 13 23.935 0.00 . 2 . . . . . 231 LEU CD2 . 51792 1 698 . 1 . 1 79 79 LEU N N 15 124.645 0.04 . 1 . . . . . 231 LEU N . 51792 1 699 . 1 . 1 80 80 THR H H 1 8.297 0.00 . 1 . . . . . 232 THR H . 51792 1 700 . 1 . 1 80 80 THR HA H 1 4.331 0.00 . 1 . . . . . 232 THR HA . 51792 1 701 . 1 . 1 80 80 THR HB H 1 4.251 0.00 . 1 . . . . . 232 THR HB . 51792 1 702 . 1 . 1 80 80 THR HG21 H 1 1.207 0.00 . 1 . . . . . 232 THR MG . 51792 1 703 . 1 . 1 80 80 THR HG22 H 1 1.207 0.00 . 1 . . . . . 232 THR MG . 51792 1 704 . 1 . 1 80 80 THR HG23 H 1 1.207 0.00 . 1 . . . . . 232 THR MG . 51792 1 705 . 1 . 1 80 80 THR CA C 13 61.971 0.02 . 1 . . . . . 232 THR CA . 51792 1 706 . 1 . 1 80 80 THR CB C 13 69.734 0.01 . 1 . . . . . 232 THR CB . 51792 1 707 . 1 . 1 80 80 THR CG2 C 13 21.316 0.00 . 1 . . . . . 232 THR CG2 . 51792 1 708 . 1 . 1 80 80 THR N N 15 116.074 0.05 . 1 . . . . . 232 THR N . 51792 1 709 . 1 . 1 81 81 LEU H H 1 8.469 0.00 . 1 . . . . . 233 LEU H . 51792 1 710 . 1 . 1 81 81 LEU HA H 1 4.371 0.02 . 1 . . . . . 233 LEU HA . 51792 1 711 . 1 . 1 81 81 LEU HB2 H 1 1.655 0.00 . 2 . . . . . 233 LEU HB2 . 51792 1 712 . 1 . 1 81 81 LEU HB3 H 1 1.655 0.00 . 2 . . . . . 233 LEU HB3 . 51792 1 713 . 1 . 1 81 81 LEU HD11 H 1 0.914 0.00 . 2 . . . . . 233 LEU MD1 . 51792 1 714 . 1 . 1 81 81 LEU HD12 H 1 0.914 0.00 . 2 . . . . . 233 LEU MD1 . 51792 1 715 . 1 . 1 81 81 LEU HD13 H 1 0.914 0.00 . 2 . . . . . 233 LEU MD1 . 51792 1 716 . 1 . 1 81 81 LEU HD21 H 1 0.914 0.00 . 2 . . . . . 233 LEU MD2 . 51792 1 717 . 1 . 1 81 81 LEU HD22 H 1 0.914 0.00 . 2 . . . . . 233 LEU MD2 . 51792 1 718 . 1 . 1 81 81 LEU HD23 H 1 0.914 0.00 . 2 . . . . . 233 LEU MD2 . 51792 1 719 . 1 . 1 81 81 LEU CA C 13 55.372 0.02 . 1 . . . . . 233 LEU CA . 51792 1 720 . 1 . 1 81 81 LEU CB C 13 42.317 0.02 . 1 . . . . . 233 LEU CB . 51792 1 721 . 1 . 1 81 81 LEU CG C 13 26.371 0.00 . 1 . . . . . 233 LEU CG . 51792 1 722 . 1 . 1 81 81 LEU CD1 C 13 23.676 0.00 . 2 . . . . . 233 LEU CD1 . 51792 1 723 . 1 . 1 81 81 LEU CD2 C 13 23.676 0.00 . 2 . . . . . 233 LEU CD2 . 51792 1 724 . 1 . 1 81 81 LEU N N 15 125.492 0.08 . 1 . . . . . 233 LEU N . 51792 1 725 . 1 . 1 82 82 GLY H H 1 8.615 0.00 . 1 . . . . . 234 GLY H . 51792 1 726 . 1 . 1 82 82 GLY HA2 H 1 4.017 0.00 . 2 . . . . . 234 GLY HA2 . 51792 1 727 . 1 . 1 82 82 GLY HA3 H 1 4.017 0.00 . 2 . . . . . 234 GLY HA3 . 51792 1 728 . 1 . 1 82 82 GLY CA C 13 45.264 0.06 . 1 . . . . . 234 GLY CA . 51792 1 729 . 1 . 1 82 82 GLY N N 15 110.287 0.03 . 1 . . . . . 234 GLY N . 51792 1 730 . 1 . 1 83 83 SER H H 1 8.452 0.00 . 1 . . . . . 235 SER H . 51792 1 731 . 1 . 1 83 83 SER CA C 13 58.696 0.01 . 1 . . . . . 235 SER CA . 51792 1 732 . 1 . 1 83 83 SER CB C 13 63.814 0.02 . 1 . . . . . 235 SER CB . 51792 1 733 . 1 . 1 83 83 SER N N 15 115.857 0.02 . 1 . . . . . 235 SER N . 51792 1 734 . 1 . 1 84 84 GLY H H 1 8.719 0.00 . 1 . . . . . 236 GLY H . 51792 1 735 . 1 . 1 84 84 GLY HA2 H 1 4.026 0.01 . 2 . . . . . 236 GLY HA2 . 51792 1 736 . 1 . 1 84 84 GLY HA3 H 1 4.026 0.01 . 2 . . . . . 236 GLY HA3 . 51792 1 737 . 1 . 1 84 84 GLY CA C 13 45.364 0.04 . 1 . . . . . 236 GLY CA . 51792 1 738 . 1 . 1 84 84 GLY N N 15 111.352 0.03 . 1 . . . . . 236 GLY N . 51792 1 739 . 1 . 1 85 85 CYS H H 1 8.292 0.01 . 1 . . . . . 237 CYS H . 51792 1 740 . 1 . 1 85 85 CYS HA H 1 4.595 0.01 . 1 . . . . . 237 CYS HA . 51792 1 741 . 1 . 1 85 85 CYS HB2 H 1 2.930 0.01 . 2 . . . . . 237 CYS HB2 . 51792 1 742 . 1 . 1 85 85 CYS HB3 H 1 2.930 0.01 . 2 . . . . . 237 CYS HB3 . 51792 1 743 . 1 . 1 85 85 CYS CA C 13 58.604 0.03 . 1 . . . . . 237 CYS CA . 51792 1 744 . 1 . 1 85 85 CYS CB C 13 28.260 0.02 . 1 . . . . . 237 CYS CB . 51792 1 745 . 1 . 1 85 85 CYS N N 15 119.155 0.05 . 1 . . . . . 237 CYS N . 51792 1 746 . 1 . 1 86 86 THR H H 1 8.515 0.00 . 1 . . . . . 238 THR H . 51792 1 747 . 1 . 1 86 86 THR HA H 1 4.398 0.00 . 1 . . . . . 238 THR HA . 51792 1 748 . 1 . 1 86 86 THR HG21 H 1 1.219 0.00 . 1 . . . . . 238 THR MG . 51792 1 749 . 1 . 1 86 86 THR HG22 H 1 1.219 0.00 . 1 . . . . . 238 THR MG . 51792 1 750 . 1 . 1 86 86 THR HG23 H 1 1.219 0.00 . 1 . . . . . 238 THR MG . 51792 1 751 . 1 . 1 86 86 THR CA C 13 62.188 0.01 . 1 . . . . . 238 THR CA . 51792 1 752 . 1 . 1 86 86 THR CB C 13 69.800 0.01 . 1 . . . . . 238 THR CB . 51792 1 753 . 1 . 1 86 86 THR CG2 C 13 21.781 0.00 . 1 . . . . . 238 THR CG2 . 51792 1 754 . 1 . 1 86 86 THR N N 15 117.930 0.06 . 1 . . . . . 238 THR N . 51792 1 755 . 1 . 1 87 87 VAL H H 1 8.431 0.00 . 1 . . . . . 239 VAL H . 51792 1 756 . 1 . 1 87 87 VAL HA H 1 4.163 0.01 . 1 . . . . . 239 VAL HA . 51792 1 757 . 1 . 1 87 87 VAL HB H 1 2.071 0.00 . 1 . . . . . 239 VAL HB . 51792 1 758 . 1 . 1 87 87 VAL HG11 H 1 0.948 0.00 . 2 . . . . . 239 VAL MG1 . 51792 1 759 . 1 . 1 87 87 VAL HG12 H 1 0.948 0.00 . 2 . . . . . 239 VAL MG1 . 51792 1 760 . 1 . 1 87 87 VAL HG13 H 1 0.948 0.00 . 2 . . . . . 239 VAL MG1 . 51792 1 761 . 1 . 1 87 87 VAL HG21 H 1 0.948 0.00 . 2 . . . . . 239 VAL MG2 . 51792 1 762 . 1 . 1 87 87 VAL HG22 H 1 0.948 0.00 . 2 . . . . . 239 VAL MG2 . 51792 1 763 . 1 . 1 87 87 VAL HG23 H 1 0.948 0.00 . 2 . . . . . 239 VAL MG2 . 51792 1 764 . 1 . 1 87 87 VAL CA C 13 62.346 0.02 . 1 . . . . . 239 VAL CA . 51792 1 765 . 1 . 1 87 87 VAL CB C 13 32.872 0.01 . 1 . . . . . 239 VAL CB . 51792 1 766 . 1 . 1 87 87 VAL CG1 C 13 20.809 0.00 . 2 . . . . . 239 VAL CG1 . 51792 1 767 . 1 . 1 87 87 VAL CG2 C 13 20.809 0.00 . 2 . . . . . 239 VAL CG2 . 51792 1 768 . 1 . 1 87 87 VAL N N 15 123.858 0.04 . 1 . . . . . 239 VAL N . 51792 1 769 . 1 . 1 88 88 CYS H H 1 8.660 0.00 . 1 . . . . . 240 CYS H . 51792 1 770 . 1 . 1 88 88 CYS HA H 1 4.495 0.01 . 1 . . . . . 240 CYS HA . 51792 1 771 . 1 . 1 88 88 CYS HB2 H 1 2.895 0.01 . 2 . . . . . 240 CYS HB2 . 51792 1 772 . 1 . 1 88 88 CYS HB3 H 1 2.895 0.01 . 2 . . . . . 240 CYS HB3 . 51792 1 773 . 1 . 1 88 88 CYS CA C 13 58.493 0.01 . 1 . . . . . 240 CYS CA . 51792 1 774 . 1 . 1 88 88 CYS CB C 13 28.169 0.05 . 1 . . . . . 240 CYS CB . 51792 1 775 . 1 . 1 88 88 CYS N N 15 124.698 0.06 . 1 . . . . . 240 CYS N . 51792 1 776 . 1 . 1 89 89 ALA H H 1 8.690 0.00 . 1 . . . . . 241 ALA H . 51792 1 777 . 1 . 1 89 89 ALA HA H 1 4.300 0.00 . 1 . . . . . 241 ALA HA . 51792 1 778 . 1 . 1 89 89 ALA HB1 H 1 1.422 0.01 . 1 . . . . . 241 ALA MB . 51792 1 779 . 1 . 1 89 89 ALA HB2 H 1 1.422 0.01 . 1 . . . . . 241 ALA MB . 51792 1 780 . 1 . 1 89 89 ALA HB3 H 1 1.422 0.01 . 1 . . . . . 241 ALA MB . 51792 1 781 . 1 . 1 89 89 ALA CA C 13 52.589 0.02 . 1 . . . . . 241 ALA CA . 51792 1 782 . 1 . 1 89 89 ALA CB C 13 19.141 0.03 . 1 . . . . . 241 ALA CB . 51792 1 783 . 1 . 1 89 89 ALA N N 15 127.917 0.07 . 1 . . . . . 241 ALA N . 51792 1 784 . 1 . 1 90 90 ALA H H 1 8.575 0.00 . 1 . . . . . 242 ALA H . 51792 1 785 . 1 . 1 90 90 ALA HA H 1 4.325 0.01 . 1 . . . . . 242 ALA HA . 51792 1 786 . 1 . 1 90 90 ALA HB1 H 1 1.441 0.01 . 1 . . . . . 242 ALA MB . 51792 1 787 . 1 . 1 90 90 ALA HB2 H 1 1.441 0.01 . 1 . . . . . 242 ALA MB . 51792 1 788 . 1 . 1 90 90 ALA HB3 H 1 1.441 0.01 . 1 . . . . . 242 ALA MB . 51792 1 789 . 1 . 1 90 90 ALA CA C 13 52.774 0.03 . 1 . . . . . 242 ALA CA . 51792 1 790 . 1 . 1 90 90 ALA CB C 13 19.131 0.06 . 1 . . . . . 242 ALA CB . 51792 1 791 . 1 . 1 90 90 ALA N N 15 124.042 0.03 . 1 . . . . . 242 ALA N . 51792 1 792 . 1 . 1 91 91 GLY H H 1 8.552 0.00 . 1 . . . . . 243 GLY H . 51792 1 793 . 1 . 1 91 91 GLY HA2 H 1 4.061 0.00 . 1 . . . . . 243 GLY HA2 . 51792 1 794 . 1 . 1 91 91 GLY HA3 H 1 3.971 0.00 . 1 . . . . . 243 GLY HA3 . 51792 1 795 . 1 . 1 91 91 GLY CA C 13 45.270 0.07 . 1 . . . . . 243 GLY CA . 51792 1 796 . 1 . 1 91 91 GLY N N 15 108.574 0.08 . 1 . . . . . 243 GLY N . 51792 1 797 . 1 . 1 92 92 THR H H 1 8.286 0.00 . 1 . . . . . 244 THR H . 51792 1 798 . 1 . 1 92 92 THR HA H 1 4.399 0.00 . 1 . . . . . 244 THR HA . 51792 1 799 . 1 . 1 92 92 THR HB H 1 4.349 0.02 . 1 . . . . . 244 THR HB . 51792 1 800 . 1 . 1 92 92 THR HG21 H 1 1.223 0.00 . 1 . . . . . 244 THR MG . 51792 1 801 . 1 . 1 92 92 THR HG22 H 1 1.223 0.00 . 1 . . . . . 244 THR MG . 51792 1 802 . 1 . 1 92 92 THR HG23 H 1 1.223 0.00 . 1 . . . . . 244 THR MG . 51792 1 803 . 1 . 1 92 92 THR CA C 13 62.156 0.03 . 1 . . . . . 244 THR CA . 51792 1 804 . 1 . 1 92 92 THR CB C 13 69.860 0.05 . 1 . . . . . 244 THR CB . 51792 1 805 . 1 . 1 92 92 THR CG2 C 13 21.348 0.00 . 1 . . . . . 244 THR CG2 . 51792 1 806 . 1 . 1 92 92 THR N N 15 113.158 0.03 . 1 . . . . . 244 THR N . 51792 1 807 . 1 . 1 93 93 GLY H H 1 8.697 0.00 . 1 . . . . . 245 GLY H . 51792 1 808 . 1 . 1 93 93 GLY HA2 H 1 4.021 0.00 . 2 . . . . . 245 GLY HA2 . 51792 1 809 . 1 . 1 93 93 GLY HA3 H 1 4.021 0.00 . 2 . . . . . 245 GLY HA3 . 51792 1 810 . 1 . 1 93 93 GLY CA C 13 45.311 0.02 . 1 . . . . . 245 GLY CA . 51792 1 811 . 1 . 1 93 93 GLY N N 15 111.659 0.03 . 1 . . . . . 245 GLY N . 51792 1 812 . 1 . 1 94 94 SER H H 1 8.354 0.00 . 1 . . . . . 246 SER H . 51792 1 813 . 1 . 1 94 94 SER HA H 1 4.440 0.00 . 1 . . . . . 246 SER HA . 51792 1 814 . 1 . 1 94 94 SER HB2 H 1 3.874 0.00 . 2 . . . . . 246 SER HB2 . 51792 1 815 . 1 . 1 94 94 SER HB3 H 1 3.874 0.00 . 2 . . . . . 246 SER HB3 . 51792 1 816 . 1 . 1 94 94 SER CA C 13 58.495 0.02 . 1 . . . . . 246 SER CA . 51792 1 817 . 1 . 1 94 94 SER CB C 13 63.881 0.02 . 1 . . . . . 246 SER CB . 51792 1 818 . 1 . 1 94 94 SER N N 15 116.039 0.02 . 1 . . . . . 246 SER N . 51792 1 819 . 1 . 1 95 95 LYS H H 1 8.563 0.00 . 1 . . . . . 247 LYS H . 51792 1 820 . 1 . 1 95 95 LYS HA H 1 4.361 0.01 . 1 . . . . . 247 LYS HA . 51792 1 821 . 1 . 1 95 95 LYS HB2 H 1 1.825 0.00 . 2 . . . . . 247 LYS HB2 . 51792 1 822 . 1 . 1 95 95 LYS HB3 H 1 1.825 0.00 . 2 . . . . . 247 LYS HB3 . 51792 1 823 . 1 . 1 95 95 LYS HG2 H 1 1.465 0.00 . 2 . . . . . 247 LYS HG2 . 51792 1 824 . 1 . 1 95 95 LYS HG3 H 1 1.465 0.00 . 2 . . . . . 247 LYS HG3 . 51792 1 825 . 1 . 1 95 95 LYS HD2 H 1 1.691 0.00 . 2 . . . . . 247 LYS HD2 . 51792 1 826 . 1 . 1 95 95 LYS HD3 H 1 1.691 0.00 . 2 . . . . . 247 LYS HD3 . 51792 1 827 . 1 . 1 95 95 LYS HE2 H 1 2.997 0.00 . 2 . . . . . 247 LYS HE2 . 51792 1 828 . 1 . 1 95 95 LYS HE3 H 1 2.997 0.00 . 2 . . . . . 247 LYS HE3 . 51792 1 829 . 1 . 1 95 95 LYS CA C 13 56.254 0.04 . 1 . . . . . 247 LYS CA . 51792 1 830 . 1 . 1 95 95 LYS CB C 13 32.877 0.05 . 1 . . . . . 247 LYS CB . 51792 1 831 . 1 . 1 95 95 LYS CG C 13 24.716 0.00 . 1 . . . . . 247 LYS CG . 51792 1 832 . 1 . 1 95 95 LYS CD C 13 29.008 0.00 . 1 . . . . . 247 LYS CD . 51792 1 833 . 1 . 1 95 95 LYS CE C 13 42.166 0.00 . 1 . . . . . 247 LYS CE . 51792 1 834 . 1 . 1 95 95 LYS N N 15 123.713 0.02 . 1 . . . . . 247 LYS N . 51792 1 835 . 1 . 1 96 96 LEU H H 1 8.358 0.00 . 1 . . . . . 248 LEU H . 51792 1 836 . 1 . 1 96 96 LEU HA H 1 4.315 0.01 . 1 . . . . . 248 LEU HA . 51792 1 837 . 1 . 1 96 96 LEU HB2 H 1 1.600 0.03 . 2 . . . . . 248 LEU HB2 . 51792 1 838 . 1 . 1 96 96 LEU HB3 H 1 1.600 0.03 . 2 . . . . . 248 LEU HB3 . 51792 1 839 . 1 . 1 96 96 LEU HG H 1 1.563 0.00 . 1 . . . . . 248 LEU HG . 51792 1 840 . 1 . 1 96 96 LEU HD11 H 1 0.903 0.00 . 2 . . . . . 248 LEU MD1 . 51792 1 841 . 1 . 1 96 96 LEU HD12 H 1 0.903 0.00 . 2 . . . . . 248 LEU MD1 . 51792 1 842 . 1 . 1 96 96 LEU HD13 H 1 0.903 0.00 . 2 . . . . . 248 LEU MD1 . 51792 1 843 . 1 . 1 96 96 LEU HD21 H 1 0.903 0.00 . 2 . . . . . 248 LEU MD2 . 51792 1 844 . 1 . 1 96 96 LEU HD22 H 1 0.903 0.00 . 2 . . . . . 248 LEU MD2 . 51792 1 845 . 1 . 1 96 96 LEU HD23 H 1 0.903 0.00 . 2 . . . . . 248 LEU MD2 . 51792 1 846 . 1 . 1 96 96 LEU CA C 13 54.943 0.03 . 1 . . . . . 248 LEU CA . 51792 1 847 . 1 . 1 96 96 LEU CB C 13 42.388 0.04 . 1 . . . . . 248 LEU CB . 51792 1 848 . 1 . 1 96 96 LEU CG C 13 26.789 0.00 . 1 . . . . . 248 LEU CG . 51792 1 849 . 1 . 1 96 96 LEU CD1 C 13 23.965 0.00 . 2 . . . . . 248 LEU CD1 . 51792 1 850 . 1 . 1 96 96 LEU CD2 C 13 23.965 0.00 . 2 . . . . . 248 LEU CD2 . 51792 1 851 . 1 . 1 96 96 LEU N N 15 123.847 0.04 . 1 . . . . . 248 LEU N . 51792 1 852 . 1 . 1 97 97 ALA H H 1 8.315 0.00 . 1 . . . . . 249 ALA H . 51792 1 853 . 1 . 1 97 97 ALA HA H 1 4.297 0.01 . 1 . . . . . 249 ALA HA . 51792 1 854 . 1 . 1 97 97 ALA HB1 H 1 1.338 0.01 . 1 . . . . . 249 ALA MB . 51792 1 855 . 1 . 1 97 97 ALA HB2 H 1 1.338 0.01 . 1 . . . . . 249 ALA MB . 51792 1 856 . 1 . 1 97 97 ALA HB3 H 1 1.338 0.01 . 1 . . . . . 249 ALA MB . 51792 1 857 . 1 . 1 97 97 ALA CA C 13 52.309 0.07 . 1 . . . . . 249 ALA CA . 51792 1 858 . 1 . 1 97 97 ALA CB C 13 19.482 0.02 . 1 . . . . . 249 ALA CB . 51792 1 859 . 1 . 1 97 97 ALA N N 15 125.368 0.06 . 1 . . . . . 249 ALA N . 51792 1 860 . 1 . 1 98 98 PHE H H 1 7.723 0.00 . 1 . . . . . 250 PHE H . 51792 1 861 . 1 . 1 98 98 PHE CA C 13 58.872 0.00 . 1 . . . . . 250 PHE CA . 51792 1 862 . 1 . 1 98 98 PHE CB C 13 40.263 0.00 . 1 . . . . . 250 PHE CB . 51792 1 863 . 1 . 1 98 98 PHE N N 15 124.112 0.06 . 1 . . . . . 250 PHE N . 51792 1 stop_ save_