data_27148 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27148 _Entry.Title ; Backbone and side chain chemical shift assignments of wild-type PACT-D3. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-06-19 _Entry.Accession_date 2017-06-19 _Entry.Last_release_date 2017-06-21 _Entry.Original_release_date 2017-06-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 ; Backbone and sidechain chemical shift assignments of human PACT, domain 3 (residues 239-313). The construct has four N-terminal non-native residues (GPAM). ; _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 Alex Heyam . . . . 27148 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 27148 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 584 27148 '15N chemical shifts' 155 27148 '1H chemical shifts' 893 27148 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2019-04-15 . original BMRB . 27148 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27143 'PACT-D3 L273R mutant' 27148 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27148 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1093/nar/gkx928 _Citation.PubMed_ID 29045748 _Citation.Full_citation . _Citation.Title ; Conserved asymmetry underpins homodimerization of Dicer-associated double-stranded RNA-binding proteins. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 45 _Citation.Journal_issue 21 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1362-4962 _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 12577 _Citation.Page_last 12584 _Citation.Year 2017 _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 Alex Heyam A. . . . 27148 1 2 Claire Coupland C. E. . . 27148 1 3 Clement Degut C. . . . 27148 1 4 Ruth Haley R. A. . . 27148 1 5 Nicola Baxter N. J. . . 27148 1 6 Leonhard Jakob L. . . . 27148 1 7 Pedro Aguiar P. M. . . 27148 1 8 Gunter Meister G. . . . 27148 1 9 Michael Williamson M. P. . . 27148 1 10 Dimitris Lagos D. . . . 27148 1 11 Michael Plevin M. J. . . 27148 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27148 _Assembly.ID 1 _Assembly.Name 'PACT-D3 homodimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; PACT-D3 forms asymmetric homodimers, so each half of the dimer gives rise to a separate set of signals. Additionally, exchange is observed between the two states - we hypothesise this is due to dissociation and reassociation of the dimers. ; _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 'PACT-D3 state_A' 1 $PACT-D3_wt A . yes native no yes . . 'One half of the asymmetric PACT-D3 homodimer' 27148 1 2 'PACT-D3 state_B' 1 $PACT-D3_wt A . yes native no yes . . 'The other half of the asymmetric PACT-D3 homodimer' 27148 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Slow exchange' 27148 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PACT-D3_wt _Entity.Sf_category entity _Entity.Sf_framecode PACT-D3_wt _Entity.Entry_ID 27148 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PACT-D3_wt _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 ; GPAMTDYIQLLSEIAKEQGF NITYLDIDELSANGQYQCLA ELSTSPITVCHGSGISCGNA QSDAAHNALQYLKIIAERK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 235, G 236, P 237, A ...... 311, E 312, R 313, K ; _Entity.Polymer_author_seq_details ; The first four residues (GPAM) are non-native, and remain after cleavage of an affinity tag. This is followed by PACT residues 239-313. ; _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 79 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Domain 3' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes UNP O75569 . . . . . . . . . . . . . . . . 27148 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 235 GLY . 27148 1 2 236 PRO . 27148 1 3 237 ALA . 27148 1 4 238 MET . 27148 1 5 239 THR . 27148 1 6 240 ASP . 27148 1 7 241 TYR . 27148 1 8 242 ILE . 27148 1 9 243 GLN . 27148 1 10 244 LEU . 27148 1 11 245 LEU . 27148 1 12 246 SER . 27148 1 13 247 GLU . 27148 1 14 248 ILE . 27148 1 15 249 ALA . 27148 1 16 250 LYS . 27148 1 17 251 GLU . 27148 1 18 252 GLN . 27148 1 19 253 GLY . 27148 1 20 254 PHE . 27148 1 21 255 ASN . 27148 1 22 256 ILE . 27148 1 23 257 THR . 27148 1 24 258 TYR . 27148 1 25 259 LEU . 27148 1 26 260 ASP . 27148 1 27 261 ILE . 27148 1 28 262 ASP . 27148 1 29 263 GLU . 27148 1 30 264 LEU . 27148 1 31 265 SER . 27148 1 32 266 ALA . 27148 1 33 267 ASN . 27148 1 34 268 GLY . 27148 1 35 269 GLN . 27148 1 36 270 TYR . 27148 1 37 271 GLN . 27148 1 38 272 CYS . 27148 1 39 273 LEU . 27148 1 40 274 ALA . 27148 1 41 275 GLU . 27148 1 42 276 LEU . 27148 1 43 277 SER . 27148 1 44 278 THR . 27148 1 45 279 SER . 27148 1 46 280 PRO . 27148 1 47 281 ILE . 27148 1 48 282 THR . 27148 1 49 283 VAL . 27148 1 50 284 CYS . 27148 1 51 285 HIS . 27148 1 52 286 GLY . 27148 1 53 287 SER . 27148 1 54 288 GLY . 27148 1 55 289 ILE . 27148 1 56 290 SER . 27148 1 57 291 CYS . 27148 1 58 292 GLY . 27148 1 59 293 ASN . 27148 1 60 294 ALA . 27148 1 61 295 GLN . 27148 1 62 296 SER . 27148 1 63 297 ASP . 27148 1 64 298 ALA . 27148 1 65 299 ALA . 27148 1 66 300 HIS . 27148 1 67 301 ASN . 27148 1 68 302 ALA . 27148 1 69 303 LEU . 27148 1 70 304 GLN . 27148 1 71 305 TYR . 27148 1 72 306 LEU . 27148 1 73 307 LYS . 27148 1 74 308 ILE . 27148 1 75 309 ILE . 27148 1 76 310 ALA . 27148 1 77 311 GLU . 27148 1 78 312 ARG . 27148 1 79 313 LYS . 27148 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 27148 1 . PRO 2 2 27148 1 . ALA 3 3 27148 1 . MET 4 4 27148 1 . THR 5 5 27148 1 . ASP 6 6 27148 1 . TYR 7 7 27148 1 . ILE 8 8 27148 1 . GLN 9 9 27148 1 . LEU 10 10 27148 1 . LEU 11 11 27148 1 . SER 12 12 27148 1 . GLU 13 13 27148 1 . ILE 14 14 27148 1 . ALA 15 15 27148 1 . LYS 16 16 27148 1 . GLU 17 17 27148 1 . GLN 18 18 27148 1 . GLY 19 19 27148 1 . PHE 20 20 27148 1 . ASN 21 21 27148 1 . ILE 22 22 27148 1 . THR 23 23 27148 1 . TYR 24 24 27148 1 . LEU 25 25 27148 1 . ASP 26 26 27148 1 . ILE 27 27 27148 1 . ASP 28 28 27148 1 . GLU 29 29 27148 1 . LEU 30 30 27148 1 . SER 31 31 27148 1 . ALA 32 32 27148 1 . ASN 33 33 27148 1 . GLY 34 34 27148 1 . GLN 35 35 27148 1 . TYR 36 36 27148 1 . GLN 37 37 27148 1 . CYS 38 38 27148 1 . LEU 39 39 27148 1 . ALA 40 40 27148 1 . GLU 41 41 27148 1 . LEU 42 42 27148 1 . SER 43 43 27148 1 . THR 44 44 27148 1 . SER 45 45 27148 1 . PRO 46 46 27148 1 . ILE 47 47 27148 1 . THR 48 48 27148 1 . VAL 49 49 27148 1 . CYS 50 50 27148 1 . HIS 51 51 27148 1 . GLY 52 52 27148 1 . SER 53 53 27148 1 . GLY 54 54 27148 1 . ILE 55 55 27148 1 . SER 56 56 27148 1 . CYS 57 57 27148 1 . GLY 58 58 27148 1 . ASN 59 59 27148 1 . ALA 60 60 27148 1 . GLN 61 61 27148 1 . SER 62 62 27148 1 . ASP 63 63 27148 1 . ALA 64 64 27148 1 . ALA 65 65 27148 1 . HIS 66 66 27148 1 . ASN 67 67 27148 1 . ALA 68 68 27148 1 . LEU 69 69 27148 1 . GLN 70 70 27148 1 . TYR 71 71 27148 1 . LEU 72 72 27148 1 . LYS 73 73 27148 1 . ILE 74 74 27148 1 . ILE 75 75 27148 1 . ALA 76 76 27148 1 . GLU 77 77 27148 1 . ARG 78 78 27148 1 . LYS 79 79 27148 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27148 _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 $PACT-D3_wt . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . PACT 'Also known as PRKRA' 27148 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27148 _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 $PACT-D3_wt . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . pETFPP_2 . . . 27148 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_backbone_assignment _Sample.Sf_category sample _Sample.Sf_framecode backbone_assignment _Sample.Entry_ID 27148 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 PACT-D3_wt '[U-13C; U-15N]' . . 1 $PACT-D3_wt . . 1.3 . . mM . . . . 27148 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27148 1 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 27148 1 4 TCEP 'natural abundance' . . . . . . 10 . . mM . . . . 27148 1 5 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 27148 1 stop_ save_ save_sidechain_assignment _Sample.Sf_category sample _Sample.Sf_framecode sidechain_assignment _Sample.Entry_ID 27148 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 PACT-D3_wt '[U-13C; U-15N]' . . 1 $PACT-D3_wt . . 2.4 . . mM . . . . 27148 2 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27148 2 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 27148 2 4 TCEP 'natural abundance' . . . . . . 10 . . mM . . . . 27148 2 5 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 27148 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27148 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 27148 1 pressure 1 . atm 27148 1 temperature 298 . K 27148 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27148 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.0-3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27148 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27148 1 processing 27148 1 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 27148 _Software.ID 2 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version 2.4 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27148 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27148 2 'data analysis' 27148 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_York_700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode York_700 _NMR_spectrometer.Entry_ID 27148 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_MRC_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode MRC_600 _NMR_spectrometer.Entry_ID 27148 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_MRC_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode MRC_800 _NMR_spectrometer.Entry_ID 27148 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27148 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 York_700 Bruker Avance . 700 . . . 27148 1 2 MRC_600 Bruker Avance . 600 . . . 27148 1 3 MRC_800 Bruker Avance . 800 . . . 27148 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27148 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N SOFAST-HMQC' yes . . . . . . . . . . 1 $backbone_assignment isotropic . . 1 $sample_conditions_1 . . . 2 $MRC_600 . . . . . . . . . . . . . . . . 27148 1 2 HNCACB yes . . . . . . . . . . 1 $backbone_assignment isotropic . . 1 $sample_conditions_1 . . . 2 $MRC_600 . . . . . . . . . . . . . . . . 27148 1 3 CBCACONH yes . . . . . . . . . . 1 $backbone_assignment isotropic . . 1 $sample_conditions_1 . . . 2 $MRC_600 . . . . . . . . . . . . . . . . 27148 1 4 HNCO yes . . . . . . . . . . 2 $sidechain_assignment isotropic . . 1 $sample_conditions_1 . . . 1 $York_700 . . . . . . . . . . . . . . . . 27148 1 5 CC(CO)NH-TOCSY yes . . . . . . . . . . 2 $sidechain_assignment isotropic . . 1 $sample_conditions_1 . . . 1 $York_700 . . . . . . . . . . . . . . . . 27148 1 6 HCCH-TOCSY yes . . . . . . . . . . 2 $sidechain_assignment isotropic . . 1 $sample_conditions_1 . . . 3 $MRC_800 . . . . . . . . . . . . . . . . 27148 1 7 '1H-13C HSQC' yes . . . . . . . . . . 2 $sidechain_assignment isotropic . . 1 $sample_conditions_1 . . . 3 $MRC_800 . . . . . . . . . . . . . . . . 27148 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27148 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 internal indirect 0.251449530 . . . . . 27148 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 27148 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.101329118 . . . . . 27148 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27148 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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 '1H-15N SOFAST-HMQC' . . . 27148 1 2 HNCACB . . . 27148 1 3 CBCACONH . . . 27148 1 4 HNCO . . . 27148 1 5 CC(CO)NH-TOCSY . . . 27148 1 6 HCCH-TOCSY . . . 27148 1 7 '1H-13C HSQC' . . . 27148 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 2 $CcpNmr_Analysis . . 27148 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 2 2 PRO HA H 1 4.453 0.002 . 1 . . 2054 . . 2 PRO HA . 27148 1 2 . 1 1 2 2 PRO HB2 H 1 2.286 0.001 . 2 . . 2057 . . 2 PRO HB2 . 27148 1 3 . 1 1 2 2 PRO HB3 H 1 1.932 0.003 . 2 . . 2058 . . 2 PRO HB3 . 27148 1 4 . 1 1 2 2 PRO HG2 H 1 1.979 0.001 . 1 . . 2056 . . 2 PRO HG2 . 27148 1 5 . 1 1 2 2 PRO HD2 H 1 3.556 0.001 . 1 . . 2055 . . 2 PRO HD2 . 27148 1 6 . 1 1 2 2 PRO C C 13 176.376 . . 1 . . 700 . . 2 PRO C . 27148 1 7 . 1 1 2 2 PRO CA C 13 62.790 0.038 . 1 . . 585 . . 2 PRO CA . 27148 1 8 . 1 1 2 2 PRO CB C 13 32.208 0.03 . 1 . . 584 . . 2 PRO CB . 27148 1 9 . 1 1 2 2 PRO CG C 13 27.001 0.017 . 1 . . 2060 . . 2 PRO CG . 27148 1 10 . 1 1 2 2 PRO CD C 13 49.621 0.015 . 1 . . 2059 . . 2 PRO CD . 27148 1 11 . 1 1 3 3 ALA H H 1 8.532 0.002 . 1 . . 44 . . 3 ALA H . 27148 1 12 . 1 1 3 3 ALA HA H 1 4.285 0.003 . 1 . . 2048 . . 3 ALA HA . 27148 1 13 . 1 1 3 3 ALA HB1 H 1 1.372 0.0 . 1 . . 2049 . . 3 ALA HB1 . 27148 1 14 . 1 1 3 3 ALA HB2 H 1 1.372 0.0 . 1 . . 2049 . . 3 ALA HB2 . 27148 1 15 . 1 1 3 3 ALA HB3 H 1 1.372 0.0 . 1 . . 2049 . . 3 ALA HB3 . 27148 1 16 . 1 1 3 3 ALA C C 13 177.803 . . 1 . . 720 . . 3 ALA C . 27148 1 17 . 1 1 3 3 ALA CA C 13 52.395 0.034 . 1 . . 449 . . 3 ALA CA . 27148 1 18 . 1 1 3 3 ALA CB C 13 19.108 0.025 . 1 . . 448 . . 3 ALA CB . 27148 1 19 . 1 1 3 3 ALA N N 15 124.601 0.006 . 1 . . 45 . . 3 ALA N . 27148 1 20 . 1 1 4 4 MET H H 1 8.350 0.003 . 1 . . 150 . . 4 MET H . 27148 1 21 . 1 1 4 4 MET HA H 1 4.412 0.003 . 1 . . 2042 . . 4 MET HA . 27148 1 22 . 1 1 4 4 MET HB2 H 1 1.999 0.014 . 2 . . 2043 . . 4 MET HB2 . 27148 1 23 . 1 1 4 4 MET HB3 H 1 2.025 0.013 . 2 . . 2044 . . 4 MET HB3 . 27148 1 24 . 1 1 4 4 MET HG2 H 1 2.535 0.02 . 2 . . 2045 . . 4 MET HG2 . 27148 1 25 . 1 1 4 4 MET HG3 H 1 2.575 0.009 . 2 . . 2046 . . 4 MET HG3 . 27148 1 26 . 1 1 4 4 MET C C 13 175.856 . . 1 . . 759 . . 4 MET C . 27148 1 27 . 1 1 4 4 MET CA C 13 55.612 0.054 . 1 . . 447 . . 4 MET CA . 27148 1 28 . 1 1 4 4 MET CB C 13 32.817 0.028 . 1 . . 446 . . 4 MET CB . 27148 1 29 . 1 1 4 4 MET CG C 13 31.870 0.05 . 1 . . 2047 . . 4 MET CG . 27148 1 30 . 1 1 4 4 MET N N 15 119.593 0.004 . 1 . . 151 . . 4 MET N . 27148 1 31 . 1 1 5 5 THR H H 1 7.801 0.003 . 1 . . 88 . . 5 THR H . 27148 1 32 . 1 1 5 5 THR HA H 1 3.869 0.003 . 1 . . 2036 . . 5 THR HA . 27148 1 33 . 1 1 5 5 THR HB H 1 3.696 0.005 . 1 . . 2039 . . 5 THR HB . 27148 1 34 . 1 1 5 5 THR HG21 H 1 0.805 0.004 . 1 . . 2041 . . 5 THR HG21 . 27148 1 35 . 1 1 5 5 THR HG22 H 1 0.805 0.004 . 1 . . 2041 . . 5 THR HG22 . 27148 1 36 . 1 1 5 5 THR HG23 H 1 0.805 0.004 . 1 . . 2041 . . 5 THR HG23 . 27148 1 37 . 1 1 5 5 THR C C 13 173.004 . . 1 . . 735 . . 5 THR C . 27148 1 38 . 1 1 5 5 THR CA C 13 61.866 0.064 . 1 . . 444 . . 5 THR CA . 27148 1 39 . 1 1 5 5 THR CB C 13 69.375 0.069 . 1 . . 445 . . 5 THR CB . 27148 1 40 . 1 1 5 5 THR CG2 C 13 21.785 0.091 . 1 . . 2034 . . 5 THR CG2 . 27148 1 41 . 1 1 5 5 THR N N 15 114.718 0.053 . 1 . . 89 . . 5 THR N . 27148 1 42 . 1 1 6 6 ASP H H 1 8.124 0.001 . 1 . . 120 . . 6 ASP H . 27148 1 43 . 1 1 6 6 ASP HA H 1 4.558 0.006 . 1 . . 2029 . . 6 ASP HA . 27148 1 44 . 1 1 6 6 ASP HB2 H 1 2.418 0.005 . 2 . . 2030 . . 6 ASP HB2 . 27148 1 45 . 1 1 6 6 ASP HB3 H 1 2.916 0.001 . 2 . . 2033 . . 6 ASP HB3 . 27148 1 46 . 1 1 6 6 ASP C C 13 175.934 . . 1 . . 785 . . 6 ASP C . 27148 1 47 . 1 1 6 6 ASP CA C 13 52.330 0.027 . 1 . . 442 . . 6 ASP CA . 27148 1 48 . 1 1 6 6 ASP CB C 13 40.045 0.055 . 1 . . 443 . . 6 ASP CB . 27148 1 49 . 1 1 6 6 ASP N N 15 124.726 0.029 . 1 . . 121 . . 6 ASP N . 27148 1 50 . 1 1 7 7 TYR H H 1 7.543 0.009 . 1 . . 112 . . 7 TYR H . 27148 1 51 . 1 1 7 7 TYR HA H 1 4.113 0.003 . 1 . . 2022 . . 7 TYR HA . 27148 1 52 . 1 1 7 7 TYR HB2 H 1 2.932 0.012 . 2 . . 2025 . . 7 TYR HB2 . 27148 1 53 . 1 1 7 7 TYR HB3 H 1 3.084 0.002 . 2 . . 2026 . . 7 TYR HB3 . 27148 1 54 . 1 1 7 7 TYR C C 13 177.238 . . 1 . . 740 . . 7 TYR C . 27148 1 55 . 1 1 7 7 TYR CA C 13 61.242 0.05 . 1 . . 463 . . 7 TYR CA . 27148 1 56 . 1 1 7 7 TYR CB C 13 38.514 0.038 . 1 . . 464 . . 7 TYR CB . 27148 1 57 . 1 1 7 7 TYR N N 15 122.549 0.041 . 1 . . 113 . . 7 TYR N . 27148 1 58 . 1 1 8 8 ILE H H 1 8.027 0.006 . 1 . . 231 . . 8 ILE H . 27148 1 59 . 1 1 8 8 ILE HA H 1 3.652 0.002 . 1 . . 2005 . . 8 ILE HA . 27148 1 60 . 1 1 8 8 ILE HB H 1 1.938 0.004 . 1 . . 2008 . . 8 ILE HB . 27148 1 61 . 1 1 8 8 ILE HG12 H 1 1.044 0.009 . 2 . . 2014 . . 8 ILE HG12 . 27148 1 62 . 1 1 8 8 ILE HG13 H 1 1.589 0.008 . 2 . . 2015 . . 8 ILE HG13 . 27148 1 63 . 1 1 8 8 ILE HG21 H 1 0.902 0.005 . 1 . . 2010 . . 8 ILE HG21 . 27148 1 64 . 1 1 8 8 ILE HG22 H 1 0.902 0.005 . 1 . . 2010 . . 8 ILE HG22 . 27148 1 65 . 1 1 8 8 ILE HG23 H 1 0.902 0.005 . 1 . . 2010 . . 8 ILE HG23 . 27148 1 66 . 1 1 8 8 ILE HD11 H 1 0.688 0.007 . 1 . . 2009 . . 8 ILE HD11 . 27148 1 67 . 1 1 8 8 ILE HD12 H 1 0.688 0.007 . 1 . . 2009 . . 8 ILE HD12 . 27148 1 68 . 1 1 8 8 ILE HD13 H 1 0.688 0.007 . 1 . . 2009 . . 8 ILE HD13 . 27148 1 69 . 1 1 8 8 ILE C C 13 175.067 . . 1 . . 765 . . 8 ILE C . 27148 1 70 . 1 1 8 8 ILE CA C 13 65.141 0.07 . 1 . . 466 . . 8 ILE CA . 27148 1 71 . 1 1 8 8 ILE CB C 13 37.941 0.093 . 1 . . 465 . . 8 ILE CB . 27148 1 72 . 1 1 8 8 ILE CG1 C 13 29.195 0.05 . 1 . . 2004 . . 8 ILE CG1 . 27148 1 73 . 1 1 8 8 ILE CG2 C 13 16.252 0.014 . 1 . . 2018 . . 8 ILE CG2 . 27148 1 74 . 1 1 8 8 ILE CD1 C 13 13.241 0.021 . 1 . . 2021 . . 8 ILE CD1 . 27148 1 75 . 1 1 8 8 ILE N N 15 118.158 0.018 . 1 . . 232 . . 8 ILE N . 27148 1 76 . 1 1 9 9 GLN H H 1 7.731 0.002 . 1 . . 102 . . 9 GLN H . 27148 1 77 . 1 1 9 9 GLN HA H 1 4.058 0.001 . 1 . . 2001 . . 9 GLN HA . 27148 1 78 . 1 1 9 9 GLN HB2 H 1 2.027 0.003 . 1 . . 2003 . . 9 GLN HB2 . 27148 1 79 . 1 1 9 9 GLN HG2 H 1 2.375 0.001 . 1 . . 2002 . . 9 GLN HG2 . 27148 1 80 . 1 1 9 9 GLN HE21 H 1 6.757 0.007 . 1 . . 198 . . 9 GLN HE21 . 27148 1 81 . 1 1 9 9 GLN HE22 H 1 7.803 0.009 . 1 . . 265 . . 9 GLN HE22 . 27148 1 82 . 1 1 9 9 GLN C C 13 179.028 . . 1 . . 722 . . 9 GLN C . 27148 1 83 . 1 1 9 9 GLN CA C 13 58.619 0.054 . 1 . . 493 . . 9 GLN CA . 27148 1 84 . 1 1 9 9 GLN CB C 13 28.074 0.032 . 1 . . 494 . . 9 GLN CB . 27148 1 85 . 1 1 9 9 GLN CG C 13 33.465 0.017 . 1 . . 2000 . . 9 GLN CG . 27148 1 86 . 1 1 9 9 GLN CD C 13 179.763 0.0 . 1 . . 804 . . 9 GLN CD . 27148 1 87 . 1 1 9 9 GLN N N 15 121.607 0.008 . 1 . . 103 . . 9 GLN N . 27148 1 88 . 1 1 9 9 GLN NE2 N 15 112.622 0.013 . 1 . . 199 . . 9 GLN NE2 . 27148 1 89 . 1 1 10 10 LEU H H 1 8.308 0.003 . 1 . . 302 . . 10 LEU H . 27148 1 90 . 1 1 10 10 LEU C C 13 179.769 . . 1 . . 701 . . 10 LEU C . 27148 1 91 . 1 1 10 10 LEU CA C 13 58.356 0.027 . 1 . . 496 . . 10 LEU CA . 27148 1 92 . 1 1 10 10 LEU CB C 13 42.213 0.048 . 1 . . 495 . . 10 LEU CB . 27148 1 93 . 1 1 10 10 LEU N N 15 120.667 0.008 . 1 . . 303 . . 10 LEU N . 27148 1 94 . 1 1 11 11 LEU H H 1 8.537 0.001 . 1 . . 284 . . 11 LEU H . 27148 1 95 . 1 1 11 11 LEU HA H 1 4.250 0.003 . 1 . . 1982 . . 11 LEU HA . 27148 1 96 . 1 1 11 11 LEU HB2 H 1 2.179 0.006 . 2 . . 1984 . . 11 LEU HB2 . 27148 1 97 . 1 1 11 11 LEU HB3 H 1 1.536 0.006 . 2 . . 1985 . . 11 LEU HB3 . 27148 1 98 . 1 1 11 11 LEU HG H 1 1.786 0.009 . 1 . . 1983 . . 11 LEU HG . 27148 1 99 . 1 1 11 11 LEU HD11 H 1 1.033 0.002 . 2 . . 1986 . . 11 LEU HD11 . 27148 1 100 . 1 1 11 11 LEU HD12 H 1 1.033 0.002 . 2 . . 1986 . . 11 LEU HD12 . 27148 1 101 . 1 1 11 11 LEU HD13 H 1 1.033 0.002 . 2 . . 1986 . . 11 LEU HD13 . 27148 1 102 . 1 1 11 11 LEU HD21 H 1 1.110 0.002 . 2 . . 1987 . . 11 LEU HD21 . 27148 1 103 . 1 1 11 11 LEU HD22 H 1 1.110 0.002 . 2 . . 1987 . . 11 LEU HD22 . 27148 1 104 . 1 1 11 11 LEU HD23 H 1 1.110 0.002 . 2 . . 1987 . . 11 LEU HD23 . 27148 1 105 . 1 1 11 11 LEU C C 13 177.937 . . 1 . . 744 . . 11 LEU C . 27148 1 106 . 1 1 11 11 LEU CA C 13 57.914 0.068 . 1 . . 468 . . 11 LEU CA . 27148 1 107 . 1 1 11 11 LEU CB C 13 40.983 0.08 . 1 . . 467 . . 11 LEU CB . 27148 1 108 . 1 1 11 11 LEU CG C 13 26.918 0.028 . 1 . . 1988 . . 11 LEU CG . 27148 1 109 . 1 1 11 11 LEU CD1 C 13 23.004 0.017 . 2 . . 1990 . . 11 LEU CD1 . 27148 1 110 . 1 1 11 11 LEU CD2 C 13 26.590 0.014 . 2 . . 1989 . . 11 LEU CD2 . 27148 1 111 . 1 1 11 11 LEU N N 15 119.660 0.022 . 1 . . 285 . . 11 LEU N . 27148 1 112 . 1 1 12 12 SER H H 1 7.926 0.003 . 1 . . 266 . . 12 SER H . 27148 1 113 . 1 1 12 12 SER HA H 1 4.053 0.002 . 1 . . 1976 . . 12 SER HA . 27148 1 114 . 1 1 12 12 SER HB2 H 1 4.036 . . 2 . . 1979 . . 12 SER HB2 . 27148 1 115 . 1 1 12 12 SER HB3 H 1 4.093 0.005 . 2 . . 1980 . . 12 SER HB3 . 27148 1 116 . 1 1 12 12 SER C C 13 177.023 . . 1 . . 750 . . 12 SER C . 27148 1 117 . 1 1 12 12 SER CA C 13 61.586 0.051 . 1 . . 583 . . 12 SER CA . 27148 1 118 . 1 1 12 12 SER CB C 13 62.734 0.051 . 1 . . 481 . . 12 SER CB . 27148 1 119 . 1 1 12 12 SER N N 15 114.410 0.007 . 1 . . 267 . . 12 SER N . 27148 1 120 . 1 1 13 13 GLU H H 1 7.880 0.004 . 1 . . 56 . . 13 GLU H . 27148 1 121 . 1 1 13 13 GLU HA H 1 4.075 0.003 . 1 . . 1970 . . 13 GLU HA . 27148 1 122 . 1 1 13 13 GLU HB2 H 1 2.126 0.003 . 2 . . 1973 . . 13 GLU HB2 . 27148 1 123 . 1 1 13 13 GLU HB3 H 1 2.244 0.003 . 2 . . 1974 . . 13 GLU HB3 . 27148 1 124 . 1 1 13 13 GLU HG2 H 1 2.328 0.01 . 2 . . 1971 . . 13 GLU HG2 . 27148 1 125 . 1 1 13 13 GLU HG3 H 1 2.485 0.004 . 2 . . 1972 . . 13 GLU HG3 . 27148 1 126 . 1 1 13 13 GLU C C 13 179.407 . . 1 . . 757 . . 13 GLU C . 27148 1 127 . 1 1 13 13 GLU CA C 13 59.297 0.09 . 1 . . 436 . . 13 GLU CA . 27148 1 128 . 1 1 13 13 GLU CB C 13 29.313 0.02 . 1 . . 435 . . 13 GLU CB . 27148 1 129 . 1 1 13 13 GLU CG C 13 36.163 0.011 . 1 . . 1969 . . 13 GLU CG . 27148 1 130 . 1 1 13 13 GLU N N 15 121.783 0.011 . 1 . . 57 . . 13 GLU N . 27148 1 131 . 1 1 14 14 ILE H H 1 7.828 0.006 . 1 . . 273 . . 14 ILE H . 27148 1 132 . 1 1 14 14 ILE HA H 1 3.847 0.007 . 1 . . 1956 . . 14 ILE HA . 27148 1 133 . 1 1 14 14 ILE HB H 1 1.974 0.003 . 1 . . 1957 . . 14 ILE HB . 27148 1 134 . 1 1 14 14 ILE HG12 H 1 1.339 0.002 . 2 . . 1958 . . 14 ILE HG12 . 27148 1 135 . 1 1 14 14 ILE HG13 H 1 1.678 0.005 . 2 . . 1959 . . 14 ILE HG13 . 27148 1 136 . 1 1 14 14 ILE HG21 H 1 1.032 0.004 . 1 . . 1960 . . 14 ILE HG21 . 27148 1 137 . 1 1 14 14 ILE HG22 H 1 1.032 0.004 . 1 . . 1960 . . 14 ILE HG22 . 27148 1 138 . 1 1 14 14 ILE HG23 H 1 1.032 0.004 . 1 . . 1960 . . 14 ILE HG23 . 27148 1 139 . 1 1 14 14 ILE HD11 H 1 0.865 0.002 . 1 . . 1961 . . 14 ILE HD11 . 27148 1 140 . 1 1 14 14 ILE HD12 H 1 0.865 0.002 . 1 . . 1961 . . 14 ILE HD12 . 27148 1 141 . 1 1 14 14 ILE HD13 H 1 0.865 0.002 . 1 . . 1961 . . 14 ILE HD13 . 27148 1 142 . 1 1 14 14 ILE C C 13 177.404 . . 1 . . 721 . . 14 ILE C . 27148 1 143 . 1 1 14 14 ILE CA C 13 64.297 0.064 . 1 . . 434 . . 14 ILE CA . 27148 1 144 . 1 1 14 14 ILE CB C 13 37.733 0.028 . 1 . . 433 . . 14 ILE CB . 27148 1 145 . 1 1 14 14 ILE CG1 C 13 29.043 0.037 . 1 . . 1962 . . 14 ILE CG1 . 27148 1 146 . 1 1 14 14 ILE CG2 C 13 17.547 0.035 . 1 . . 1963 . . 14 ILE CG2 . 27148 1 147 . 1 1 14 14 ILE CD1 C 13 12.725 0.027 . 1 . . 1964 . . 14 ILE CD1 . 27148 1 148 . 1 1 14 14 ILE N N 15 122.419 0.021 . 1 . . 274 . . 14 ILE N . 27148 1 149 . 1 1 15 15 ALA H H 1 8.337 0.005 . 1 . . 227 . . 15 ALA H . 27148 1 150 . 1 1 15 15 ALA HA H 1 2.242 0.008 . 1 . . 1954 . . 15 ALA HA . 27148 1 151 . 1 1 15 15 ALA HB1 H 1 1.066 0.0 . 1 . . 1955 . . 15 ALA HB1 . 27148 1 152 . 1 1 15 15 ALA HB2 H 1 1.066 0.0 . 1 . . 1955 . . 15 ALA HB2 . 27148 1 153 . 1 1 15 15 ALA HB3 H 1 1.066 0.0 . 1 . . 1955 . . 15 ALA HB3 . 27148 1 154 . 1 1 15 15 ALA C C 13 179.800 . . 1 . . 794 . . 15 ALA C . 27148 1 155 . 1 1 15 15 ALA CA C 13 54.833 0.053 . 1 . . 432 . . 15 ALA CA . 27148 1 156 . 1 1 15 15 ALA CB C 13 18.665 0.056 . 1 . . 431 . . 15 ALA CB . 27148 1 157 . 1 1 15 15 ALA N N 15 123.486 0.014 . 1 . . 228 . . 15 ALA N . 27148 1 158 . 1 1 16 16 LYS H H 1 7.410 0.005 . 1 . . 187 . . 16 LYS H . 27148 1 159 . 1 1 16 16 LYS HA H 1 3.975 0.002 . 1 . . 2120 . . 16 LYS HA . 27148 1 160 . 1 1 16 16 LYS HB2 H 1 1.912 0.005 . 1 . . 2121 . . 16 LYS HB2 . 27148 1 161 . 1 1 16 16 LYS HG2 H 1 1.566 0.002 . 2 . . 2123 . . 16 LYS HG2 . 27148 1 162 . 1 1 16 16 LYS HG3 H 1 1.422 0.002 . 2 . . 2124 . . 16 LYS HG3 . 27148 1 163 . 1 1 16 16 LYS HD2 H 1 1.691 0.003 . 1 . . 2122 . . 16 LYS HD2 . 27148 1 164 . 1 1 16 16 LYS HE2 H 1 2.966 0.002 . 1 . . 2119 . . 16 LYS HE2 . 27148 1 165 . 1 1 16 16 LYS C C 13 179.338 . . 1 . . 775 . . 16 LYS C . 27148 1 166 . 1 1 16 16 LYS CA C 13 58.777 0.088 . 1 . . 429 . . 16 LYS CA . 27148 1 167 . 1 1 16 16 LYS CB C 13 32.253 0.018 . 1 . . 430 . . 16 LYS CB . 27148 1 168 . 1 1 16 16 LYS CG C 13 24.801 0.022 . 1 . . 2127 . . 16 LYS CG . 27148 1 169 . 1 1 16 16 LYS CD C 13 29.185 0.056 . 1 . . 2126 . . 16 LYS CD . 27148 1 170 . 1 1 16 16 LYS CE C 13 42.018 0.032 . 1 . . 2125 . . 16 LYS CE . 27148 1 171 . 1 1 16 16 LYS N N 15 116.423 0.004 . 1 . . 188 . . 16 LYS N . 27148 1 172 . 1 1 17 17 GLU H H 1 7.635 0.004 . 1 . . 143 . . 17 GLU H . 27148 1 173 . 1 1 17 17 GLU HA H 1 4.042 0.002 . 1 . . 1942 . . 17 GLU HA . 27148 1 174 . 1 1 17 17 GLU HB2 H 1 2.159 0.008 . 2 . . 1943 . . 17 GLU HB2 . 27148 1 175 . 1 1 17 17 GLU HB3 H 1 2.185 0.017 . 2 . . 1944 . . 17 GLU HB3 . 27148 1 176 . 1 1 17 17 GLU HG2 H 1 2.266 0.002 . 2 . . 1945 . . 17 GLU HG2 . 27148 1 177 . 1 1 17 17 GLU HG3 H 1 2.418 0.003 . 2 . . 1946 . . 17 GLU HG3 . 27148 1 178 . 1 1 17 17 GLU C C 13 178.553 . . 1 . . 706 . . 17 GLU C . 27148 1 179 . 1 1 17 17 GLU CA C 13 58.939 0.06 . 1 . . 428 . . 17 GLU CA . 27148 1 180 . 1 1 17 17 GLU CB C 13 30.033 0.028 . 1 . . 427 . . 17 GLU CB . 27148 1 181 . 1 1 17 17 GLU CG C 13 35.953 0.025 . 1 . . 1947 . . 17 GLU CG . 27148 1 182 . 1 1 17 17 GLU N N 15 119.195 0.008 . 1 . . 144 . . 17 GLU N . 27148 1 183 . 1 1 18 18 GLN H H 1 8.494 0.002 . 1 . . 158 . . 18 GLN H . 27148 1 184 . 1 1 18 18 GLN HA H 1 4.302 0.002 . 1 . . 1935 . . 18 GLN HA . 27148 1 185 . 1 1 18 18 GLN HB2 H 1 1.954 0.006 . 2 . . 1938 . . 18 GLN HB2 . 27148 1 186 . 1 1 18 18 GLN HB3 H 1 2.440 0.005 . 2 . . 1939 . . 18 GLN HB3 . 27148 1 187 . 1 1 18 18 GLN HG2 H 1 2.459 0.001 . 2 . . 1936 . . 18 GLN HG2 . 27148 1 188 . 1 1 18 18 GLN HG3 H 1 2.606 0.004 . 2 . . 1937 . . 18 GLN HG3 . 27148 1 189 . 1 1 18 18 GLN C C 13 176.979 . . 1 . . 751 . . 18 GLN C . 27148 1 190 . 1 1 18 18 GLN CA C 13 56.766 0.122 . 1 . . 458 . . 18 GLN CA . 27148 1 191 . 1 1 18 18 GLN CB C 13 29.131 0.043 . 1 . . 459 . . 18 GLN CB . 27148 1 192 . 1 1 18 18 GLN CG C 13 34.430 0.032 . 1 . . 1539 . . 18 GLN CG . 27148 1 193 . 1 1 18 18 GLN N N 15 114.810 0.009 . 1 . . 159 . . 18 GLN N . 27148 1 194 . 1 1 19 19 GLY H H 1 7.879 0.006 . 1 . . 233 . . 19 GLY H . 27148 1 195 . 1 1 19 19 GLY HA2 H 1 3.883 0.001 . 2 . . 1933 . . 19 GLY HA2 . 27148 1 196 . 1 1 19 19 GLY HA3 H 1 4.082 0.002 . 2 . . 1934 . . 19 GLY HA3 . 27148 1 197 . 1 1 19 19 GLY C C 13 174.129 . . 1 . . 758 . . 19 GLY C . 27148 1 198 . 1 1 19 19 GLY CA C 13 46.910 0.081 . 1 . . 541 . . 19 GLY CA . 27148 1 199 . 1 1 19 19 GLY N N 15 109.218 0.015 . 1 . . 234 . . 19 GLY N . 27148 1 200 . 1 1 20 20 PHE H H 1 7.809 0.002 . 1 . . 248 . . 20 PHE H . 27148 1 201 . 1 1 20 20 PHE HA H 1 5.034 0.006 . 1 . . 1925 . . 20 PHE HA . 27148 1 202 . 1 1 20 20 PHE HB2 H 1 2.825 0.002 . 2 . . 1928 . . 20 PHE HB2 . 27148 1 203 . 1 1 20 20 PHE HB3 H 1 3.049 0.01 . 2 . . 1929 . . 20 PHE HB3 . 27148 1 204 . 1 1 20 20 PHE C C 13 172.095 . . 1 . . 668 . . 20 PHE C . 27148 1 205 . 1 1 20 20 PHE CA C 13 54.913 0.05 . 1 . . 539 . . 20 PHE CA . 27148 1 206 . 1 1 20 20 PHE CB C 13 41.301 0.099 . 1 . . 540 . . 20 PHE CB . 27148 1 207 . 1 1 20 20 PHE N N 15 115.648 0.01 . 1 . . 249 . . 20 PHE N . 27148 1 208 . 1 1 21 21 ASN H H 1 9.035 0.008 . 1 . . 46 . . 21 ASN H . 27148 1 209 . 1 1 21 21 ASN HA H 1 5.036 0.008 . 1 . . 1072 . . 21 ASN HA . 27148 1 210 . 1 1 21 21 ASN HB2 H 1 2.737 0.017 . 2 . . 1073 . . 21 ASN HB2 . 27148 1 211 . 1 1 21 21 ASN HB3 H 1 2.762 0.011 . 2 . . 1922 . . 21 ASN HB3 . 27148 1 212 . 1 1 21 21 ASN HD21 H 1 6.893 0.005 . 1 . . 114 . . 21 ASN HD21 . 27148 1 213 . 1 1 21 21 ASN HD22 H 1 7.520 0.005 . 1 . . 176 . . 21 ASN HD22 . 27148 1 214 . 1 1 21 21 ASN C C 13 174.204 . . 1 . . 698 . . 21 ASN C . 27148 1 215 . 1 1 21 21 ASN CA C 13 51.780 0.062 . 1 . . 595 . . 21 ASN CA . 27148 1 216 . 1 1 21 21 ASN CB C 13 41.493 0.065 . 1 . . 423 . . 21 ASN CB . 27148 1 217 . 1 1 21 21 ASN CG C 13 176.995 0.001 . 1 . . 801 . . 21 ASN CG . 27148 1 218 . 1 1 21 21 ASN N N 15 116.916 0.044 . 1 . . 47 . . 21 ASN N . 27148 1 219 . 1 1 21 21 ASN ND2 N 15 114.315 0.03 . 1 . . 115 . . 21 ASN ND2 . 27148 1 220 . 1 1 22 22 ILE H H 1 8.545 0.002 . 1 . . 316 . . 22 ILE H . 27148 1 221 . 1 1 22 22 ILE HA H 1 4.782 0.005 . 1 . . 1067 . . 22 ILE HA . 27148 1 222 . 1 1 22 22 ILE HB H 1 1.508 0.006 . 1 . . 1066 . . 22 ILE HB . 27148 1 223 . 1 1 22 22 ILE HG12 H 1 0.979 0.003 . 2 . . 1917 . . 22 ILE HG12 . 27148 1 224 . 1 1 22 22 ILE HG13 H 1 1.357 0.004 . 2 . . 1918 . . 22 ILE HG13 . 27148 1 225 . 1 1 22 22 ILE HG21 H 1 0.361 0.003 . 1 . . 1068 . . 22 ILE HG21 . 27148 1 226 . 1 1 22 22 ILE HG22 H 1 0.361 0.003 . 1 . . 1068 . . 22 ILE HG22 . 27148 1 227 . 1 1 22 22 ILE HG23 H 1 0.361 0.003 . 1 . . 1068 . . 22 ILE HG23 . 27148 1 228 . 1 1 22 22 ILE HD11 H 1 0.873 0.001 . 1 . . 1069 . . 22 ILE HD11 . 27148 1 229 . 1 1 22 22 ILE HD12 H 1 0.873 0.001 . 1 . . 1069 . . 22 ILE HD12 . 27148 1 230 . 1 1 22 22 ILE HD13 H 1 0.873 0.001 . 1 . . 1069 . . 22 ILE HD13 . 27148 1 231 . 1 1 22 22 ILE C C 13 175.512 . . 1 . . 679 . . 22 ILE C . 27148 1 232 . 1 1 22 22 ILE CA C 13 60.209 0.053 . 1 . . 538 . . 22 ILE CA . 27148 1 233 . 1 1 22 22 ILE CB C 13 41.355 0.041 . 1 . . 537 . . 22 ILE CB . 27148 1 234 . 1 1 22 22 ILE CG1 C 13 28.071 0.053 . 1 . . 1063 . . 22 ILE CG1 . 27148 1 235 . 1 1 22 22 ILE CG2 C 13 18.272 0.046 . 1 . . 1064 . . 22 ILE CG2 . 27148 1 236 . 1 1 22 22 ILE CD1 C 13 16.240 0.029 . 1 . . 1065 . . 22 ILE CD1 . 27148 1 237 . 1 1 22 22 ILE N N 15 121.290 0.01 . 1 . . 317 . . 22 ILE N . 27148 1 238 . 1 1 23 23 THR H H 1 8.767 0.005 . 1 . . 250 . . 23 THR H . 27148 1 239 . 1 1 23 23 THR HA H 1 4.466 0.001 . 1 . . 1048 . . 23 THR HA . 27148 1 240 . 1 1 23 23 THR HB H 1 4.030 0.007 . 1 . . 1049 . . 23 THR HB . 27148 1 241 . 1 1 23 23 THR HG21 H 1 1.161 0.006 . 1 . . 1050 . . 23 THR HG21 . 27148 1 242 . 1 1 23 23 THR HG22 H 1 1.161 0.006 . 1 . . 1050 . . 23 THR HG22 . 27148 1 243 . 1 1 23 23 THR HG23 H 1 1.161 0.006 . 1 . . 1050 . . 23 THR HG23 . 27148 1 244 . 1 1 23 23 THR C C 13 172.606 . . 1 . . 672 . . 23 THR C . 27148 1 245 . 1 1 23 23 THR CA C 13 61.705 0.096 . 1 . . 357 . . 23 THR CA . 27148 1 246 . 1 1 23 23 THR CB C 13 70.831 0.056 . 1 . . 356 . . 23 THR CB . 27148 1 247 . 1 1 23 23 THR CG2 C 13 21.426 0.039 . 1 . . 1051 . . 23 THR CG2 . 27148 1 248 . 1 1 23 23 THR N N 15 124.830 0.07 . 1 . . 251 . . 23 THR N . 27148 1 249 . 1 1 24 24 TYR H H 1 8.967 0.008 . 1 . . 148 . . 24 TYR H . 27148 1 250 . 1 1 24 24 TYR HA H 1 4.904 0.006 . 1 . . 1045 . . 24 TYR HA . 27148 1 251 . 1 1 24 24 TYR HB2 H 1 2.627 0.001 . 2 . . 1046 . . 24 TYR HB2 . 27148 1 252 . 1 1 24 24 TYR HB3 H 1 2.766 0.003 . 2 . . 1047 . . 24 TYR HB3 . 27148 1 253 . 1 1 24 24 TYR C C 13 175.281 . . 1 . . 655 . . 24 TYR C . 27148 1 254 . 1 1 24 24 TYR CA C 13 58.530 0.118 . 1 . . 354 . . 24 TYR CA . 27148 1 255 . 1 1 24 24 TYR CB C 13 38.941 0.03 . 1 . . 355 . . 24 TYR CB . 27148 1 256 . 1 1 24 24 TYR N N 15 126.136 0.059 . 1 . . 149 . . 24 TYR N . 27148 1 257 . 1 1 25 25 LEU H H 1 9.582 0.006 . 1 . . 32 . . 25 LEU H . 27148 1 258 . 1 1 25 25 LEU HA H 1 4.639 0.003 . 1 . . 1034 . . 25 LEU HA . 27148 1 259 . 1 1 25 25 LEU HB2 H 1 2.045 0.004 . 2 . . 1901 . . 25 LEU HB2 . 27148 1 260 . 1 1 25 25 LEU HB3 H 1 1.403 0.005 . 2 . . 1902 . . 25 LEU HB3 . 27148 1 261 . 1 1 25 25 LEU HG H 1 1.584 0.004 . 1 . . 1905 . . 25 LEU HG . 27148 1 262 . 1 1 25 25 LEU HD11 H 1 0.841 0.002 . 2 . . 1903 . . 25 LEU HD11 . 27148 1 263 . 1 1 25 25 LEU HD12 H 1 0.841 0.002 . 2 . . 1903 . . 25 LEU HD12 . 27148 1 264 . 1 1 25 25 LEU HD13 H 1 0.841 0.002 . 2 . . 1903 . . 25 LEU HD13 . 27148 1 265 . 1 1 25 25 LEU HD21 H 1 0.969 0.001 . 2 . . 1906 . . 25 LEU HD21 . 27148 1 266 . 1 1 25 25 LEU HD22 H 1 0.969 0.001 . 2 . . 1906 . . 25 LEU HD22 . 27148 1 267 . 1 1 25 25 LEU HD23 H 1 0.969 0.001 . 2 . . 1906 . . 25 LEU HD23 . 27148 1 268 . 1 1 25 25 LEU C C 13 174.623 . . 1 . . 714 . . 25 LEU C . 27148 1 269 . 1 1 25 25 LEU CA C 13 52.935 0.041 . 1 . . 425 . . 25 LEU CA . 27148 1 270 . 1 1 25 25 LEU CB C 13 41.964 0.056 . 1 . . 426 . . 25 LEU CB . 27148 1 271 . 1 1 25 25 LEU CG C 13 26.171 0.054 . 1 . . 1595 . . 25 LEU CG . 27148 1 272 . 1 1 25 25 LEU CD1 C 13 23.788 0.041 . 2 . . 1904 . . 25 LEU CD1 . 27148 1 273 . 1 1 25 25 LEU CD2 C 13 25.740 0.024 . 2 . . 1907 . . 25 LEU CD2 . 27148 1 274 . 1 1 25 25 LEU N N 15 127.022 0.024 . 1 . . 33 . . 25 LEU N . 27148 1 275 . 1 1 26 26 ASP H H 1 8.427 0.002 . 1 . . 312 . . 26 ASP H . 27148 1 276 . 1 1 26 26 ASP HA H 1 4.669 0.003 . 1 . . 1031 . . 26 ASP HA . 27148 1 277 . 1 1 26 26 ASP HB2 H 1 2.795 0.01 . 2 . . 1032 . . 26 ASP HB2 . 27148 1 278 . 1 1 26 26 ASP HB3 H 1 2.550 0.004 . 2 . . 1033 . . 26 ASP HB3 . 27148 1 279 . 1 1 26 26 ASP C C 13 175.755 . . 1 . . 766 . . 26 ASP C . 27148 1 280 . 1 1 26 26 ASP CA C 13 55.498 0.083 . 1 . . 439 . . 26 ASP CA . 27148 1 281 . 1 1 26 26 ASP CB C 13 41.203 0.078 . 1 . . 440 . . 26 ASP CB . 27148 1 282 . 1 1 26 26 ASP N N 15 124.545 0.007 . 1 . . 313 . . 26 ASP N . 27148 1 283 . 1 1 27 27 ILE H H 1 7.731 0.002 . 1 . . 156 . . 27 ILE H . 27148 1 284 . 1 1 27 27 ILE HA H 1 4.262 0.002 . 1 . . 1014 . . 27 ILE HA . 27148 1 285 . 1 1 27 27 ILE HB H 1 1.786 0.006 . 1 . . 1023 . . 27 ILE HB . 27148 1 286 . 1 1 27 27 ILE HG12 H 1 1.498 0.004 . 2 . . 1022 . . 27 ILE HG12 . 27148 1 287 . 1 1 27 27 ILE HG13 H 1 1.145 0.009 . 2 . . 1898 . . 27 ILE HG13 . 27148 1 288 . 1 1 27 27 ILE HG21 H 1 1.075 0.002 . 1 . . 1021 . . 27 ILE HG21 . 27148 1 289 . 1 1 27 27 ILE HG22 H 1 1.075 0.002 . 1 . . 1021 . . 27 ILE HG22 . 27148 1 290 . 1 1 27 27 ILE HG23 H 1 1.075 0.002 . 1 . . 1021 . . 27 ILE HG23 . 27148 1 291 . 1 1 27 27 ILE HD11 H 1 0.730 0.002 . 1 . . 1897 . . 27 ILE HD11 . 27148 1 292 . 1 1 27 27 ILE HD12 H 1 0.730 0.002 . 1 . . 1897 . . 27 ILE HD12 . 27148 1 293 . 1 1 27 27 ILE HD13 H 1 0.730 0.002 . 1 . . 1897 . . 27 ILE HD13 . 27148 1 294 . 1 1 27 27 ILE CA C 13 60.285 0.056 . 1 . . 566 . . 27 ILE CA . 27148 1 295 . 1 1 27 27 ILE CB C 13 39.216 0.051 . 1 . . 567 . . 27 ILE CB . 27148 1 296 . 1 1 27 27 ILE CG1 C 13 27.470 0.021 . 1 . . 1015 . . 27 ILE CG1 . 27148 1 297 . 1 1 27 27 ILE CG2 C 13 17.516 0.018 . 1 . . 1019 . . 27 ILE CG2 . 27148 1 298 . 1 1 27 27 ILE CD1 C 13 13.119 0.013 . 1 . . 1018 . . 27 ILE CD1 . 27148 1 299 . 1 1 27 27 ILE N N 15 123.487 0.031 . 1 . . 157 . . 27 ILE N . 27148 1 300 . 1 1 28 28 ASP H H 1 8.752 0.008 . 1 . . 221 . . 28 ASP H . 27148 1 301 . 1 1 28 28 ASP HA H 1 4.581 0.004 . 1 . . 1010 . . 28 ASP HA . 27148 1 302 . 1 1 28 28 ASP HB2 H 1 2.732 0.008 . 2 . . 1011 . . 28 ASP HB2 . 27148 1 303 . 1 1 28 28 ASP HB3 H 1 2.745 . . 2 . . 2147 . . 28 ASP HB3 . 27148 1 304 . 1 1 28 28 ASP C C 13 176.282 . . 1 . . 784 . . 28 ASP C . 27148 1 305 . 1 1 28 28 ASP CA C 13 55.714 0.065 . 1 . . 550 . . 28 ASP CA . 27148 1 306 . 1 1 28 28 ASP CB C 13 40.738 0.072 . 1 . . 598 . . 28 ASP CB . 27148 1 307 . 1 1 28 28 ASP N N 15 127.602 0.081 . 1 . . 222 . . 28 ASP N . 27148 1 308 . 1 1 29 29 GLU H H 1 7.532 0.001 . 1 . . 254 . . 29 GLU H . 27148 1 309 . 1 1 29 29 GLU HA H 1 4.319 0.004 . 1 . . 1002 . . 29 GLU HA . 27148 1 310 . 1 1 29 29 GLU HB2 H 1 1.929 0.001 . 1 . . 1005 . . 29 GLU HB2 . 27148 1 311 . 1 1 29 29 GLU HG2 H 1 2.219 0.003 . 2 . . 1004 . . 29 GLU HG2 . 27148 1 312 . 1 1 29 29 GLU HG3 H 1 2.266 0.018 . 2 . . 1896 . . 29 GLU HG3 . 27148 1 313 . 1 1 29 29 GLU C C 13 177.065 . . 1 . . 687 . . 29 GLU C . 27148 1 314 . 1 1 29 29 GLU CA C 13 56.317 0.083 . 1 . . 363 . . 29 GLU CA . 27148 1 315 . 1 1 29 29 GLU CB C 13 31.302 0.067 . 1 . . 362 . . 29 GLU CB . 27148 1 316 . 1 1 29 29 GLU CG C 13 35.946 0.001 . 1 . . 1003 . . 29 GLU CG . 27148 1 317 . 1 1 29 29 GLU N N 15 119.928 0.009 . 1 . . 255 . . 29 GLU N . 27148 1 318 . 1 1 30 30 LEU H H 1 8.700 0.007 . 1 . . 200 . . 30 LEU H . 27148 1 319 . 1 1 30 30 LEU HA H 1 4.516 0.003 . 1 . . 991 . . 30 LEU HA . 27148 1 320 . 1 1 30 30 LEU HB2 H 1 1.649 0.007 . 2 . . 992 . . 30 LEU HB2 . 27148 1 321 . 1 1 30 30 LEU HB3 H 1 1.244 0.006 . 2 . . 993 . . 30 LEU HB3 . 27148 1 322 . 1 1 30 30 LEU HG H 1 1.509 0.002 . 1 . . 1889 . . 30 LEU HG . 27148 1 323 . 1 1 30 30 LEU HD11 H 1 0.269 0.006 . 2 . . 997 . . 30 LEU HD11 . 27148 1 324 . 1 1 30 30 LEU HD12 H 1 0.269 0.006 . 2 . . 997 . . 30 LEU HD12 . 27148 1 325 . 1 1 30 30 LEU HD13 H 1 0.269 0.006 . 2 . . 997 . . 30 LEU HD13 . 27148 1 326 . 1 1 30 30 LEU HD21 H 1 0.706 0.004 . 2 . . 1402 . . 30 LEU HD21 . 27148 1 327 . 1 1 30 30 LEU HD22 H 1 0.706 0.004 . 2 . . 1402 . . 30 LEU HD22 . 27148 1 328 . 1 1 30 30 LEU HD23 H 1 0.706 0.004 . 2 . . 1402 . . 30 LEU HD23 . 27148 1 329 . 1 1 30 30 LEU C C 13 178.275 . . 1 . . 661 . . 30 LEU C . 27148 1 330 . 1 1 30 30 LEU CA C 13 54.641 0.044 . 1 . . 361 . . 30 LEU CA . 27148 1 331 . 1 1 30 30 LEU CB C 13 42.433 0.063 . 1 . . 360 . . 30 LEU CB . 27148 1 332 . 1 1 30 30 LEU CG C 13 26.912 0.025 . 1 . . 995 . . 30 LEU CG . 27148 1 333 . 1 1 30 30 LEU CD1 C 13 21.875 0.013 . 2 . . 996 . . 30 LEU CD1 . 27148 1 334 . 1 1 30 30 LEU CD2 C 13 24.986 0.024 . 2 . . 994 . . 30 LEU CD2 . 27148 1 335 . 1 1 30 30 LEU N N 15 126.992 0.035 . 1 . . 201 . . 30 LEU N . 27148 1 336 . 1 1 31 31 SER H H 1 9.263 0.014 . 1 . . 256 . . 31 SER H . 27148 1 337 . 1 1 31 31 SER HA H 1 4.380 0.005 . 1 . . 2090 . . 31 SER HA . 27148 1 338 . 1 1 31 31 SER HB2 H 1 3.795 0.002 . 2 . . 2091 . . 31 SER HB2 . 27148 1 339 . 1 1 31 31 SER HB3 H 1 4.272 0.002 . 2 . . 2092 . . 31 SER HB3 . 27148 1 340 . 1 1 31 31 SER CA C 13 58.015 0.057 . 1 . . 410 . . 31 SER CA . 27148 1 341 . 1 1 31 31 SER CB C 13 64.777 0.073 . 1 . . 411 . . 31 SER CB . 27148 1 342 . 1 1 31 31 SER N N 15 116.650 0.026 . 1 . . 257 . . 31 SER N . 27148 1 343 . 1 1 32 32 ALA H H 1 8.934 0.001 . 1 . . 406 . . 32 ALA H . 27148 1 344 . 1 1 32 32 ALA HA H 1 4.204 0.001 . 1 . . 1885 . . 32 ALA HA . 27148 1 345 . 1 1 32 32 ALA HB1 H 1 1.474 0.002 . 1 . . 1886 . . 32 ALA HB1 . 27148 1 346 . 1 1 32 32 ALA HB2 H 1 1.474 0.002 . 1 . . 1886 . . 32 ALA HB2 . 27148 1 347 . 1 1 32 32 ALA HB3 H 1 1.474 0.002 . 1 . . 1886 . . 32 ALA HB3 . 27148 1 348 . 1 1 32 32 ALA C C 13 178.012 . . 1 . . 754 . . 32 ALA C . 27148 1 349 . 1 1 32 32 ALA CA C 13 54.713 0.043 . 1 . . 457 . . 32 ALA CA . 27148 1 350 . 1 1 32 32 ALA CB C 13 18.246 0.022 . 1 . . 456 . . 32 ALA CB . 27148 1 351 . 1 1 32 32 ALA N N 15 124.573 0.016 . 1 . . 407 . . 32 ALA N . 27148 1 352 . 1 1 33 33 ASN H H 1 7.851 0.005 . 1 . . 308 . . 33 ASN H . 27148 1 353 . 1 1 33 33 ASN HA H 1 4.823 0.001 . 1 . . 1879 . . 33 ASN HA . 27148 1 354 . 1 1 33 33 ASN HB2 H 1 2.880 0.012 . 2 . . 1880 . . 33 ASN HB2 . 27148 1 355 . 1 1 33 33 ASN HB3 H 1 2.905 0.013 . 2 . . 1881 . . 33 ASN HB3 . 27148 1 356 . 1 1 33 33 ASN C C 13 175.792 . . 1 . . 730 . . 33 ASN C . 27148 1 357 . 1 1 33 33 ASN CA C 13 52.156 0.041 . 1 . . 455 . . 33 ASN CA . 27148 1 358 . 1 1 33 33 ASN CB C 13 37.876 0.029 . 1 . . 454 . . 33 ASN CB . 27148 1 359 . 1 1 33 33 ASN N N 15 112.700 0.016 . 1 . . 309 . . 33 ASN N . 27148 1 360 . 1 1 34 34 GLY H H 1 8.172 0.003 . 1 . . 50 . . 34 GLY H . 27148 1 361 . 1 1 34 34 GLY HA2 H 1 3.623 0.006 . 2 . . 1877 . . 34 GLY HA2 . 27148 1 362 . 1 1 34 34 GLY HA3 H 1 4.087 0.002 . 2 . . 1878 . . 34 GLY HA3 . 27148 1 363 . 1 1 34 34 GLY C C 13 173.757 . . 1 . . 772 . . 34 GLY C . 27148 1 364 . 1 1 34 34 GLY CA C 13 46.124 0.069 . 1 . . 453 . . 34 GLY CA . 27148 1 365 . 1 1 34 34 GLY N N 15 108.248 0.005 . 1 . . 51 . . 34 GLY N . 27148 1 366 . 1 1 35 35 GLN H H 1 7.671 0.001 . 1 . . 122 . . 35 GLN H . 27148 1 367 . 1 1 35 35 GLN HA H 1 4.450 0.004 . 1 . . 1872 . . 35 GLN HA . 27148 1 368 . 1 1 35 35 GLN HB2 H 1 1.892 0.006 . 2 . . 1875 . . 35 GLN HB2 . 27148 1 369 . 1 1 35 35 GLN HB3 H 1 2.241 0.007 . 2 . . 1876 . . 35 GLN HB3 . 27148 1 370 . 1 1 35 35 GLN HG2 H 1 1.996 0.002 . 2 . . 1873 . . 35 GLN HG2 . 27148 1 371 . 1 1 35 35 GLN HG3 H 1 2.229 0.002 . 2 . . 1874 . . 35 GLN HG3 . 27148 1 372 . 1 1 35 35 GLN C C 13 175.840 . . 1 . . 715 . . 35 GLN C . 27148 1 373 . 1 1 35 35 GLN CA C 13 55.520 0.105 . 1 . . 373 . . 35 GLN CA . 27148 1 374 . 1 1 35 35 GLN CB C 13 29.848 0.071 . 1 . . 372 . . 35 GLN CB . 27148 1 375 . 1 1 35 35 GLN CG C 13 34.490 0.017 . 1 . . 1870 . . 35 GLN CG . 27148 1 376 . 1 1 35 35 GLN N N 15 117.148 0.011 . 1 . . 123 . . 35 GLN N . 27148 1 377 . 1 1 36 36 TYR H H 1 8.423 0.005 . 1 . . 328 . . 36 TYR H . 27148 1 378 . 1 1 36 36 TYR HA H 1 4.508 0.003 . 1 . . 985 . . 36 TYR HA . 27148 1 379 . 1 1 36 36 TYR HB2 H 1 3.016 0.009 . 2 . . 986 . . 36 TYR HB2 . 27148 1 380 . 1 1 36 36 TYR HB3 H 1 2.431 0.005 . 2 . . 987 . . 36 TYR HB3 . 27148 1 381 . 1 1 36 36 TYR C C 13 175.992 . . 1 . . 658 . . 36 TYR C . 27148 1 382 . 1 1 36 36 TYR CA C 13 58.922 0.126 . 1 . . 599 . . 36 TYR CA . 27148 1 383 . 1 1 36 36 TYR CB C 13 39.104 0.094 . 1 . . 600 . . 36 TYR CB . 27148 1 384 . 1 1 36 36 TYR N N 15 120.909 0.016 . 1 . . 329 . . 36 TYR N . 27148 1 385 . 1 1 37 37 GLN H H 1 9.468 0.01 . 1 . . 210 . . 37 GLN H . 27148 1 386 . 1 1 37 37 GLN HA H 1 5.438 0.003 . 1 . . 984 . . 37 GLN HA . 27148 1 387 . 1 1 37 37 GLN HB2 H 1 1.972 0.004 . 2 . . 1245 . . 37 GLN HB2 . 27148 1 388 . 1 1 37 37 GLN HB3 H 1 2.059 0.008 . 2 . . 1610 . . 37 GLN HB3 . 27148 1 389 . 1 1 37 37 GLN HG2 H 1 2.549 0.005 . 2 . . 1101 . . 37 GLN HG2 . 27148 1 390 . 1 1 37 37 GLN HG3 H 1 2.324 0.005 . 2 . . 1867 . . 37 GLN HG3 . 27148 1 391 . 1 1 37 37 GLN C C 13 174.436 . . 1 . . 693 . . 37 GLN C . 27148 1 392 . 1 1 37 37 GLN CA C 13 54.069 0.035 . 1 . . 347 . . 37 GLN CA . 27148 1 393 . 1 1 37 37 GLN CB C 13 35.024 0.047 . 1 . . 346 . . 37 GLN CB . 27148 1 394 . 1 1 37 37 GLN CG C 13 35.081 0.022 . 1 . . 1102 . . 37 GLN CG . 27148 1 395 . 1 1 37 37 GLN N N 15 116.582 0.026 . 1 . . 211 . . 37 GLN N . 27148 1 396 . 1 1 38 38 CYS H H 1 8.603 0.003 . 1 . . 139 . . 38 CYS H . 27148 1 397 . 1 1 38 38 CYS HA H 1 5.092 0.003 . 1 . . 974 . . 38 CYS HA . 27148 1 398 . 1 1 38 38 CYS HB2 H 1 3.201 0.002 . 2 . . 975 . . 38 CYS HB2 . 27148 1 399 . 1 1 38 38 CYS HB3 H 1 2.408 0.001 . 2 . . 976 . . 38 CYS HB3 . 27148 1 400 . 1 1 38 38 CYS C C 13 172.235 . . 1 . . 670 . . 38 CYS C . 27148 1 401 . 1 1 38 38 CYS CA C 13 56.943 0.082 . 1 . . 344 . . 38 CYS CA . 27148 1 402 . 1 1 38 38 CYS CB C 13 30.745 0.029 . 1 . . 345 . . 38 CYS CB . 27148 1 403 . 1 1 38 38 CYS N N 15 120.427 0.024 . 1 . . 140 . . 38 CYS N . 27148 1 404 . 1 1 39 39 LEU H H 1 8.985 0.003 . 1 . . 141 . . 39 LEU H . 27148 1 405 . 1 1 39 39 LEU HA H 1 5.430 0.004 . 1 . . 962 . . 39 LEU HA . 27148 1 406 . 1 1 39 39 LEU HB2 H 1 1.336 0.009 . 2 . . 1290 . . 39 LEU HB2 . 27148 1 407 . 1 1 39 39 LEU HB3 H 1 1.911 0.005 . 2 . . 1860 . . 39 LEU HB3 . 27148 1 408 . 1 1 39 39 LEU HG H 1 1.806 0.004 . 1 . . 1861 . . 39 LEU HG . 27148 1 409 . 1 1 39 39 LEU HD11 H 1 0.998 0.002 . 2 . . 1105 . . 39 LEU HD11 . 27148 1 410 . 1 1 39 39 LEU HD12 H 1 0.998 0.002 . 2 . . 1105 . . 39 LEU HD12 . 27148 1 411 . 1 1 39 39 LEU HD13 H 1 0.998 0.002 . 2 . . 1105 . . 39 LEU HD13 . 27148 1 412 . 1 1 39 39 LEU HD21 H 1 0.998 0.002 . 2 . . 1470 . . 39 LEU HD21 . 27148 1 413 . 1 1 39 39 LEU HD22 H 1 0.998 0.002 . 2 . . 1470 . . 39 LEU HD22 . 27148 1 414 . 1 1 39 39 LEU HD23 H 1 0.998 0.002 . 2 . . 1470 . . 39 LEU HD23 . 27148 1 415 . 1 1 39 39 LEU C C 13 175.048 . . 1 . . 662 . . 39 LEU C . 27148 1 416 . 1 1 39 39 LEU CA C 13 52.954 0.058 . 1 . . 343 . . 39 LEU CA . 27148 1 417 . 1 1 39 39 LEU CB C 13 44.296 0.068 . 1 . . 342 . . 39 LEU CB . 27148 1 418 . 1 1 39 39 LEU CG C 13 26.643 0.016 . 1 . . 1862 . . 39 LEU CG . 27148 1 419 . 1 1 39 39 LEU CD1 C 13 23.394 0.039 . 2 . . 1106 . . 39 LEU CD1 . 27148 1 420 . 1 1 39 39 LEU CD2 C 13 26.273 0.024 . 2 . . 1471 . . 39 LEU CD2 . 27148 1 421 . 1 1 39 39 LEU N N 15 123.890 0.035 . 1 . . 142 . . 39 LEU N . 27148 1 422 . 1 1 40 40 ALA H H 1 9.192 0.007 . 1 . . 68 . . 40 ALA H . 27148 1 423 . 1 1 40 40 ALA HA H 1 4.723 0.007 . 1 . . 961 . . 40 ALA HA . 27148 1 424 . 1 1 40 40 ALA HB1 H 1 0.859 0.001 . 1 . . 960 . . 40 ALA HB1 . 27148 1 425 . 1 1 40 40 ALA HB2 H 1 0.859 0.001 . 1 . . 960 . . 40 ALA HB2 . 27148 1 426 . 1 1 40 40 ALA HB3 H 1 0.859 0.001 . 1 . . 960 . . 40 ALA HB3 . 27148 1 427 . 1 1 40 40 ALA C C 13 174.175 . . 1 . . 669 . . 40 ALA C . 27148 1 428 . 1 1 40 40 ALA CA C 13 50.271 0.087 . 1 . . 341 . . 40 ALA CA . 27148 1 429 . 1 1 40 40 ALA CB C 13 19.680 0.018 . 1 . . 340 . . 40 ALA CB . 27148 1 430 . 1 1 40 40 ALA N N 15 124.557 0.032 . 1 . . 69 . . 40 ALA N . 27148 1 431 . 1 1 41 41 GLU H H 1 9.020 0.004 . 1 . . 206 . . 41 GLU H . 27148 1 432 . 1 1 41 41 GLU HA H 1 4.828 0.002 . 1 . . 952 . . 41 GLU HA . 27148 1 433 . 1 1 41 41 GLU HB2 H 1 2.336 0.001 . 1 . . 1855 . . 41 GLU HB2 . 27148 1 434 . 1 1 41 41 GLU HG2 H 1 1.714 0.013 . 2 . . 1154 . . 41 GLU HG2 . 27148 1 435 . 1 1 41 41 GLU HG3 H 1 1.954 0.005 . 2 . . 1616 . . 41 GLU HG3 . 27148 1 436 . 1 1 41 41 GLU C C 13 174.998 . . 1 . . 652 . . 41 GLU C . 27148 1 437 . 1 1 41 41 GLU CA C 13 54.515 0.042 . 1 . . 338 . . 41 GLU CA . 27148 1 438 . 1 1 41 41 GLU CB C 13 32.767 0.01 . 1 . . 339 . . 41 GLU CB . 27148 1 439 . 1 1 41 41 GLU CG C 13 36.554 0.079 . 1 . . 953 . . 41 GLU CG . 27148 1 440 . 1 1 41 41 GLU N N 15 124.200 0.023 . 1 . . 207 . . 41 GLU N . 27148 1 441 . 1 1 42 42 LEU H H 1 9.736 0.006 . 1 . . 280 . . 42 LEU H . 27148 1 442 . 1 1 42 42 LEU HA H 1 5.436 0.003 . 1 . . 1689 . . 42 LEU HA . 27148 1 443 . 1 1 42 42 LEU HB2 H 1 1.732 0.003 . 2 . . 941 . . 42 LEU HB2 . 27148 1 444 . 1 1 42 42 LEU HB3 H 1 1.121 0.005 . 2 . . 1849 . . 42 LEU HB3 . 27148 1 445 . 1 1 42 42 LEU HG H 1 1.655 0.003 . 1 . . 1848 . . 42 LEU HG . 27148 1 446 . 1 1 42 42 LEU HD11 H 1 0.621 0.003 . 2 . . 1850 . . 42 LEU HD11 . 27148 1 447 . 1 1 42 42 LEU HD12 H 1 0.621 0.003 . 2 . . 1850 . . 42 LEU HD12 . 27148 1 448 . 1 1 42 42 LEU HD13 H 1 0.621 0.003 . 2 . . 1850 . . 42 LEU HD13 . 27148 1 449 . 1 1 42 42 LEU HD21 H 1 0.671 0.002 . 2 . . 1851 . . 42 LEU HD21 . 27148 1 450 . 1 1 42 42 LEU HD22 H 1 0.671 0.002 . 2 . . 1851 . . 42 LEU HD22 . 27148 1 451 . 1 1 42 42 LEU HD23 H 1 0.671 0.002 . 2 . . 1851 . . 42 LEU HD23 . 27148 1 452 . 1 1 42 42 LEU C C 13 178.188 . . 1 . . 667 . . 42 LEU C . 27148 1 453 . 1 1 42 42 LEU CA C 13 53.071 0.066 . 1 . . 376 . . 42 LEU CA . 27148 1 454 . 1 1 42 42 LEU CB C 13 42.524 0.072 . 1 . . 377 . . 42 LEU CB . 27148 1 455 . 1 1 42 42 LEU CG C 13 28.420 0.017 . 1 . . 1852 . . 42 LEU CG . 27148 1 456 . 1 1 42 42 LEU CD1 C 13 24.011 0.103 . 2 . . 1853 . . 42 LEU CD1 . 27148 1 457 . 1 1 42 42 LEU CD2 C 13 25.282 0.032 . 2 . . 1147 . . 42 LEU CD2 . 27148 1 458 . 1 1 42 42 LEU N N 15 130.321 0.015 . 1 . . 281 . . 42 LEU N . 27148 1 459 . 1 1 43 43 SER H H 1 9.087 0.009 . 1 . . 130 . . 43 SER H . 27148 1 460 . 1 1 43 43 SER HA H 1 4.721 0.01 . 1 . . 1645 . . 43 SER HA . 27148 1 461 . 1 1 43 43 SER HB2 H 1 3.885 0.003 . 2 . . 1291 . . 43 SER HB2 . 27148 1 462 . 1 1 43 43 SER HB3 H 1 4.444 0.003 . 2 . . 1847 . . 43 SER HB3 . 27148 1 463 . 1 1 43 43 SER C C 13 177.098 . . 1 . . 787 . . 43 SER C . 27148 1 464 . 1 1 43 43 SER CA C 13 57.989 0.075 . 1 . . 461 . . 43 SER CA . 27148 1 465 . 1 1 43 43 SER CB C 13 62.496 0.068 . 1 . . 462 . . 43 SER CB . 27148 1 466 . 1 1 43 43 SER N N 15 121.152 0.015 . 1 . . 131 . . 43 SER N . 27148 1 467 . 1 1 44 44 THR H H 1 7.507 0.004 . 1 . . 106 . . 44 THR H . 27148 1 468 . 1 1 44 44 THR HA H 1 3.984 0.008 . 1 . . 1743 . . 44 THR HA . 27148 1 469 . 1 1 44 44 THR HB H 1 4.139 0.003 . 1 . . 1562 . . 44 THR HB . 27148 1 470 . 1 1 44 44 THR HG21 H 1 0.435 0.009 . 1 . . 936 . . 44 THR HG21 . 27148 1 471 . 1 1 44 44 THR HG22 H 1 0.435 0.009 . 1 . . 936 . . 44 THR HG22 . 27148 1 472 . 1 1 44 44 THR HG23 H 1 0.435 0.009 . 1 . . 936 . . 44 THR HG23 . 27148 1 473 . 1 1 44 44 THR C C 13 172.901 . . 1 . . 719 . . 44 THR C . 27148 1 474 . 1 1 44 44 THR CA C 13 61.611 0.063 . 1 . . 606 . . 44 THR CA . 27148 1 475 . 1 1 44 44 THR CB C 13 70.418 0.053 . 1 . . 460 . . 44 THR CB . 27148 1 476 . 1 1 44 44 THR CG2 C 13 20.873 0.102 . 1 . . 935 . . 44 THR CG2 . 27148 1 477 . 1 1 44 44 THR N N 15 110.894 0.008 . 1 . . 107 . . 44 THR N . 27148 1 478 . 1 1 45 45 SER H H 1 8.347 0.003 . 1 . . 1 . . 45 SER H . 27148 1 479 . 1 1 45 45 SER HA H 1 4.841 0.002 . 1 . . 2080 . . 45 SER HA . 27148 1 480 . 1 1 45 45 SER HB2 H 1 3.673 0.005 . 2 . . 2081 . . 45 SER HB2 . 27148 1 481 . 1 1 45 45 SER HB3 H 1 3.825 0.002 . 2 . . 2082 . . 45 SER HB3 . 27148 1 482 . 1 1 45 45 SER CA C 13 53.990 0.029 . 1 . . 607 . . 45 SER CA . 27148 1 483 . 1 1 45 45 SER CB C 13 63.958 0.061 . 1 . . 608 . . 45 SER CB . 27148 1 484 . 1 1 45 45 SER N N 15 113.360 0.005 . 1 . . 2 . . 45 SER N . 27148 1 485 . 1 1 46 46 PRO HA H 1 4.839 0.002 . 1 . . 924 . . 46 PRO HA . 27148 1 486 . 1 1 46 46 PRO HB2 H 1 1.815 0.006 . 2 . . 1189 . . 46 PRO HB2 . 27148 1 487 . 1 1 46 46 PRO HB3 H 1 2.114 0.004 . 2 . . 1344 . . 46 PRO HB3 . 27148 1 488 . 1 1 46 46 PRO HG2 H 1 1.800 0.009 . 2 . . 927 . . 46 PRO HG2 . 27148 1 489 . 1 1 46 46 PRO HG3 H 1 1.675 0.002 . 2 . . 1250 . . 46 PRO HG3 . 27148 1 490 . 1 1 46 46 PRO HD2 H 1 3.551 0.003 . 2 . . 1125 . . 46 PRO HD2 . 27148 1 491 . 1 1 46 46 PRO HD3 H 1 3.420 0.002 . 2 . . 1560 . . 46 PRO HD3 . 27148 1 492 . 1 1 46 46 PRO C C 13 176.266 . . 1 . . 728 . . 46 PRO C . 27148 1 493 . 1 1 46 46 PRO CA C 13 63.100 0.064 . 1 . . 615 . . 46 PRO CA . 27148 1 494 . 1 1 46 46 PRO CB C 13 35.253 0.03 . 1 . . 614 . . 46 PRO CB . 27148 1 495 . 1 1 46 46 PRO CG C 13 25.055 0.05 . 1 . . 926 . . 46 PRO CG . 27148 1 496 . 1 1 46 46 PRO CD C 13 50.371 0.073 . 1 . . 925 . . 46 PRO CD . 27148 1 497 . 1 1 47 47 ILE H H 1 8.206 0.003 . 1 . . 76 . . 47 ILE H . 27148 1 498 . 1 1 47 47 ILE HA H 1 3.912 0.003 . 1 . . 1839 . . 47 ILE HA . 27148 1 499 . 1 1 47 47 ILE HB H 1 1.979 0.005 . 1 . . 1841 . . 47 ILE HB . 27148 1 500 . 1 1 47 47 ILE HG12 H 1 1.318 0.004 . 2 . . 1686 . . 47 ILE HG12 . 27148 1 501 . 1 1 47 47 ILE HG13 H 1 1.700 0.004 . 2 . . 1842 . . 47 ILE HG13 . 27148 1 502 . 1 1 47 47 ILE HG21 H 1 0.818 0.002 . 1 . . 1578 . . 47 ILE HG21 . 27148 1 503 . 1 1 47 47 ILE HG22 H 1 0.818 0.002 . 1 . . 1578 . . 47 ILE HG22 . 27148 1 504 . 1 1 47 47 ILE HG23 H 1 0.818 0.002 . 1 . . 1578 . . 47 ILE HG23 . 27148 1 505 . 1 1 47 47 ILE HD11 H 1 0.883 0.002 . 1 . . 1590 . . 47 ILE HD11 . 27148 1 506 . 1 1 47 47 ILE HD12 H 1 0.883 0.002 . 1 . . 1590 . . 47 ILE HD12 . 27148 1 507 . 1 1 47 47 ILE HD13 H 1 0.883 0.002 . 1 . . 1590 . . 47 ILE HD13 . 27148 1 508 . 1 1 47 47 ILE C C 13 175.128 . . 1 . . 761 . . 47 ILE C . 27148 1 509 . 1 1 47 47 ILE CA C 13 62.559 0.112 . 1 . . 618 . . 47 ILE CA . 27148 1 510 . 1 1 47 47 ILE CB C 13 38.059 0.094 . 1 . . 452 . . 47 ILE CB . 27148 1 511 . 1 1 47 47 ILE CG1 C 13 28.541 0.057 . 1 . . 840 . . 47 ILE CG1 . 27148 1 512 . 1 1 47 47 ILE CG2 C 13 16.905 0.065 . 1 . . 1579 . . 47 ILE CG2 . 27148 1 513 . 1 1 47 47 ILE CD1 C 13 12.450 0.014 . 1 . . 1591 . . 47 ILE CD1 . 27148 1 514 . 1 1 47 47 ILE N N 15 125.941 0.01 . 1 . . 77 . . 47 ILE N . 27148 1 515 . 1 1 48 48 THR H H 1 7.803 0.002 . 1 . . 6 . . 48 THR H . 27148 1 516 . 1 1 48 48 THR HA H 1 4.860 0.002 . 1 . . 1737 . . 48 THR HA . 27148 1 517 . 1 1 48 48 THR HB H 1 3.602 0.006 . 1 . . 1440 . . 48 THR HB . 27148 1 518 . 1 1 48 48 THR HG21 H 1 0.594 0.006 . 1 . . 838 . . 48 THR HG21 . 27148 1 519 . 1 1 48 48 THR HG22 H 1 0.594 0.006 . 1 . . 838 . . 48 THR HG22 . 27148 1 520 . 1 1 48 48 THR HG23 H 1 0.594 0.006 . 1 . . 838 . . 48 THR HG23 . 27148 1 521 . 1 1 48 48 THR C C 13 172.915 . . 1 . . 682 . . 48 THR C . 27148 1 522 . 1 1 48 48 THR CA C 13 62.254 0.093 . 1 . . 528 . . 48 THR CA . 27148 1 523 . 1 1 48 48 THR CB C 13 70.805 0.068 . 1 . . 529 . . 48 THR CB . 27148 1 524 . 1 1 48 48 THR CG2 C 13 20.417 0.053 . 1 . . 837 . . 48 THR CG2 . 27148 1 525 . 1 1 48 48 THR N N 15 122.926 0.021 . 1 . . 7 . . 48 THR N . 27148 1 526 . 1 1 49 49 VAL H H 1 8.753 0.006 . 1 . . 208 . . 49 VAL H . 27148 1 527 . 1 1 49 49 VAL HA H 1 5.042 0.002 . 1 . . 813 . . 49 VAL HA . 27148 1 528 . 1 1 49 49 VAL HB H 1 1.846 0.001 . 1 . . 812 . . 49 VAL HB . 27148 1 529 . 1 1 49 49 VAL HG11 H 1 -0.161 0.004 . 2 . . 810 . . 49 VAL HG11 . 27148 1 530 . 1 1 49 49 VAL HG12 H 1 -0.161 0.004 . 2 . . 810 . . 49 VAL HG12 . 27148 1 531 . 1 1 49 49 VAL HG13 H 1 -0.161 0.004 . 2 . . 810 . . 49 VAL HG13 . 27148 1 532 . 1 1 49 49 VAL HG21 H 1 0.589 0.004 . 2 . . 811 . . 49 VAL HG21 . 27148 1 533 . 1 1 49 49 VAL HG22 H 1 0.589 0.004 . 2 . . 811 . . 49 VAL HG22 . 27148 1 534 . 1 1 49 49 VAL HG23 H 1 0.589 0.004 . 2 . . 811 . . 49 VAL HG23 . 27148 1 535 . 1 1 49 49 VAL C C 13 176.296 . . 1 . . 675 . . 49 VAL C . 27148 1 536 . 1 1 49 49 VAL CA C 13 60.782 0.069 . 1 . . 353 . . 49 VAL CA . 27148 1 537 . 1 1 49 49 VAL CB C 13 33.957 0.036 . 1 . . 352 . . 49 VAL CB . 27148 1 538 . 1 1 49 49 VAL CG1 C 13 19.911 0.081 . 2 . . 814 . . 49 VAL CG1 . 27148 1 539 . 1 1 49 49 VAL CG2 C 13 22.300 0.079 . 2 . . 1312 . . 49 VAL CG2 . 27148 1 540 . 1 1 49 49 VAL N N 15 126.421 0.042 . 1 . . 209 . . 49 VAL N . 27148 1 541 . 1 1 50 50 CYS H H 1 8.924 0.003 . 1 . . 212 . . 50 CYS H . 27148 1 542 . 1 1 50 50 CYS HA H 1 5.067 0.002 . 1 . . 1097 . . 50 CYS HA . 27148 1 543 . 1 1 50 50 CYS HB2 H 1 2.971 0.006 . 2 . . 1089 . . 50 CYS HB2 . 27148 1 544 . 1 1 50 50 CYS HB3 H 1 2.481 0.002 . 2 . . 1666 . . 50 CYS HB3 . 27148 1 545 . 1 1 50 50 CYS C C 13 172.082 . . 1 . . 651 . . 50 CYS C . 27148 1 546 . 1 1 50 50 CYS CA C 13 57.758 0.053 . 1 . . 350 . . 50 CYS CA . 27148 1 547 . 1 1 50 50 CYS CB C 13 31.627 0.04 . 1 . . 351 . . 50 CYS CB . 27148 1 548 . 1 1 50 50 CYS N N 15 124.153 0.043 . 1 . . 213 . . 50 CYS N . 27148 1 549 . 1 1 51 51 HIS H H 1 9.720 0.004 . 1 . . 276 . . 51 HIS H . 27148 1 550 . 1 1 51 51 HIS HA H 1 5.530 0.005 . 1 . . 824 . . 51 HIS HA . 27148 1 551 . 1 1 51 51 HIS HB2 H 1 3.081 0.006 . 2 . . 825 . . 51 HIS HB2 . 27148 1 552 . 1 1 51 51 HIS HB3 H 1 3.217 0.001 . 2 . . 826 . . 51 HIS HB3 . 27148 1 553 . 1 1 51 51 HIS C C 13 172.629 . . 1 . . 702 . . 51 HIS C . 27148 1 554 . 1 1 51 51 HIS CA C 13 54.976 0.111 . 1 . . 437 . . 51 HIS CA . 27148 1 555 . 1 1 51 51 HIS CB C 13 32.413 0.103 . 1 . . 438 . . 51 HIS CB . 27148 1 556 . 1 1 51 51 HIS N N 15 123.665 0.055 . 1 . . 277 . . 51 HIS N . 27148 1 557 . 1 1 52 52 GLY H H 1 8.525 0.005 . 1 . . 26 . . 52 GLY H . 27148 1 558 . 1 1 52 52 GLY HA2 H 1 4.747 0.004 . 2 . . 834 . . 52 GLY HA2 . 27148 1 559 . 1 1 52 52 GLY HA3 H 1 3.850 0.004 . 2 . . 835 . . 52 GLY HA3 . 27148 1 560 . 1 1 52 52 GLY C C 13 171.775 . . 1 . . 654 . . 52 GLY C . 27148 1 561 . 1 1 52 52 GLY CA C 13 44.516 0.06 . 1 . . 620 . . 52 GLY CA . 27148 1 562 . 1 1 52 52 GLY N N 15 111.230 0.013 . 1 . . 27 . . 52 GLY N . 27148 1 563 . 1 1 53 53 SER H H 1 9.893 0.004 . 1 . . 578 . . 53 SER H . 27148 1 564 . 1 1 53 53 SER HA H 1 5.825 0.007 . 1 . . 830 . . 53 SER HA . 27148 1 565 . 1 1 53 53 SER HB2 H 1 3.849 0.001 . 2 . . 831 . . 53 SER HB2 . 27148 1 566 . 1 1 53 53 SER HB3 H 1 3.849 0.002 . 2 . . 2150 . . 53 SER HB3 . 27148 1 567 . 1 1 53 53 SER C C 13 173.869 . . 1 . . 680 . . 53 SER C . 27148 1 568 . 1 1 53 53 SER CA C 13 56.856 0.097 . 1 . . 336 . . 53 SER CA . 27148 1 569 . 1 1 53 53 SER CB C 13 67.250 0.086 . 1 . . 417 . . 53 SER CB . 27148 1 570 . 1 1 53 53 SER N N 15 115.436 0.02 . 1 . . 577 . . 53 SER N . 27148 1 571 . 1 1 54 54 GLY H H 1 8.756 0.004 . 1 . . 154 . . 54 GLY H . 27148 1 572 . 1 1 54 54 GLY HA2 H 1 4.423 0.006 . 2 . . 1707 . . 54 GLY HA2 . 27148 1 573 . 1 1 54 54 GLY HA3 H 1 3.884 0.004 . 2 . . 1721 . . 54 GLY HA3 . 27148 1 574 . 1 1 54 54 GLY C C 13 172.512 . . 1 . . 689 . . 54 GLY C . 27148 1 575 . 1 1 54 54 GLY CA C 13 46.338 0.068 . 1 . . 416 . . 54 GLY CA . 27148 1 576 . 1 1 54 54 GLY N N 15 106.063 0.025 . 1 . . 155 . . 54 GLY N . 27148 1 577 . 1 1 55 55 ILE H H 1 8.692 0.002 . 1 . . 219 . . 55 ILE H . 27148 1 578 . 1 1 55 55 ILE HA H 1 4.576 0.005 . 1 . . 1500 . . 55 ILE HA . 27148 1 579 . 1 1 55 55 ILE HB H 1 2.310 0.003 . 1 . . 1504 . . 55 ILE HB . 27148 1 580 . 1 1 55 55 ILE HG12 H 1 1.311 0.001 . 2 . . 1472 . . 55 ILE HG12 . 27148 1 581 . 1 1 55 55 ILE HG13 H 1 1.411 0.003 . 2 . . 1708 . . 55 ILE HG13 . 27148 1 582 . 1 1 55 55 ILE HG21 H 1 1.086 0.002 . 1 . . 1412 . . 55 ILE HG21 . 27148 1 583 . 1 1 55 55 ILE HG22 H 1 1.086 0.002 . 1 . . 1412 . . 55 ILE HG22 . 27148 1 584 . 1 1 55 55 ILE HG23 H 1 1.086 0.002 . 1 . . 1412 . . 55 ILE HG23 . 27148 1 585 . 1 1 55 55 ILE HD11 H 1 0.943 0.001 . 1 . . 1340 . . 55 ILE HD11 . 27148 1 586 . 1 1 55 55 ILE HD12 H 1 0.943 0.001 . 1 . . 1340 . . 55 ILE HD12 . 27148 1 587 . 1 1 55 55 ILE HD13 H 1 0.943 0.001 . 1 . . 1340 . . 55 ILE HD13 . 27148 1 588 . 1 1 55 55 ILE C C 13 174.498 . . 1 . . 773 . . 55 ILE C . 27148 1 589 . 1 1 55 55 ILE CA C 13 62.813 0.072 . 1 . . 414 . . 55 ILE CA . 27148 1 590 . 1 1 55 55 ILE CB C 13 38.515 0.044 . 1 . . 415 . . 55 ILE CB . 27148 1 591 . 1 1 55 55 ILE CG1 C 13 26.780 0.031 . 1 . . 1473 . . 55 ILE CG1 . 27148 1 592 . 1 1 55 55 ILE CG2 C 13 18.342 0.012 . 1 . . 1413 . . 55 ILE CG2 . 27148 1 593 . 1 1 55 55 ILE CD1 C 13 14.197 0.025 . 1 . . 1341 . . 55 ILE CD1 . 27148 1 594 . 1 1 55 55 ILE N N 15 113.772 0.072 . 1 . . 220 . . 55 ILE N . 27148 1 595 . 1 1 56 56 SER H H 1 7.638 0.003 . 1 . . 28 . . 56 SER H . 27148 1 596 . 1 1 56 56 SER HA H 1 4.319 0.008 . 1 . . 2076 . . 56 SER HA . 27148 1 597 . 1 1 56 56 SER HB2 H 1 3.818 0.003 . 2 . . 2074 . . 56 SER HB2 . 27148 1 598 . 1 1 56 56 SER HB3 H 1 3.983 0.003 . 2 . . 2075 . . 56 SER HB3 . 27148 1 599 . 1 1 56 56 SER CA C 13 55.654 0.049 . 1 . . 413 . . 56 SER CA . 27148 1 600 . 1 1 56 56 SER CB C 13 66.824 0.102 . 1 . . 412 . . 56 SER CB . 27148 1 601 . 1 1 56 56 SER N N 15 112.785 0.014 . 1 . . 29 . . 56 SER N . 27148 1 602 . 1 1 57 57 CYS H H 1 8.766 0.004 . 1 . . 92 . . 57 CYS H . 27148 1 603 . 1 1 57 57 CYS HA H 1 3.839 0.002 . 1 . . 1424 . . 57 CYS HA . 27148 1 604 . 1 1 57 57 CYS HB2 H 1 2.734 0.006 . 2 . . 1830 . . 57 CYS HB2 . 27148 1 605 . 1 1 57 57 CYS HB3 H 1 2.663 0.006 . 2 . . 1831 . . 57 CYS HB3 . 27148 1 606 . 1 1 57 57 CYS CA C 13 62.348 0.092 . 1 . . 419 . . 57 CYS CA . 27148 1 607 . 1 1 57 57 CYS CB C 13 26.029 0.025 . 1 . . 418 . . 57 CYS CB . 27148 1 608 . 1 1 57 57 CYS N N 15 122.019 0.021 . 1 . . 93 . . 57 CYS N . 27148 1 609 . 1 1 58 58 GLY H H 1 8.736 0.002 . 1 . . 98 . . 58 GLY H . 27148 1 610 . 1 1 58 58 GLY HA2 H 1 3.704 0.007 . 2 . . 1825 . . 58 GLY HA2 . 27148 1 611 . 1 1 58 58 GLY HA3 H 1 3.777 0.011 . 2 . . 1826 . . 58 GLY HA3 . 27148 1 612 . 1 1 58 58 GLY C C 13 176.558 . . 1 . . 745 . . 58 GLY C . 27148 1 613 . 1 1 58 58 GLY CA C 13 46.934 0.065 . 1 . . 536 . . 58 GLY CA . 27148 1 614 . 1 1 58 58 GLY N N 15 108.795 0.03 . 1 . . 99 . . 58 GLY N . 27148 1 615 . 1 1 59 59 ASN H H 1 7.901 0.008 . 1 . . 262 . . 59 ASN H . 27148 1 616 . 1 1 59 59 ASN HA H 1 4.534 0.005 . 1 . . 1820 . . 59 ASN HA . 27148 1 617 . 1 1 59 59 ASN HB2 H 1 2.730 0.002 . 2 . . 1821 . . 59 ASN HB2 . 27148 1 618 . 1 1 59 59 ASN HB3 H 1 2.969 0.005 . 2 . . 1823 . . 59 ASN HB3 . 27148 1 619 . 1 1 59 59 ASN C C 13 177.603 . . 1 . . 737 . . 59 ASN C . 27148 1 620 . 1 1 59 59 ASN CA C 13 56.000 0.056 . 1 . . 404 . . 59 ASN CA . 27148 1 621 . 1 1 59 59 ASN CB C 13 38.485 0.026 . 1 . . 405 . . 59 ASN CB . 27148 1 622 . 1 1 59 59 ASN N N 15 121.379 0.071 . 1 . . 263 . . 59 ASN N . 27148 1 623 . 1 1 60 60 ALA H H 1 8.159 0.004 . 1 . . 116 . . 60 ALA H . 27148 1 624 . 1 1 60 60 ALA HA H 1 3.714 0.002 . 1 . . 1818 . . 60 ALA HA . 27148 1 625 . 1 1 60 60 ALA HB1 H 1 1.247 0.001 . 1 . . 2182 . . 60 ALA HB1 . 27148 1 626 . 1 1 60 60 ALA HB2 H 1 1.247 0.001 . 1 . . 2182 . . 60 ALA HB2 . 27148 1 627 . 1 1 60 60 ALA HB3 H 1 1.247 0.001 . 1 . . 2182 . . 60 ALA HB3 . 27148 1 628 . 1 1 60 60 ALA C C 13 178.425 . . 1 . . 776 . . 60 ALA C . 27148 1 629 . 1 1 60 60 ALA CA C 13 55.415 0.073 . 1 . . 523 . . 60 ALA CA . 27148 1 630 . 1 1 60 60 ALA CB C 13 17.615 0.014 . 1 . . 522 . . 60 ALA CB . 27148 1 631 . 1 1 60 60 ALA N N 15 123.764 0.003 . 1 . . 117 . . 60 ALA N . 27148 1 632 . 1 1 61 61 GLN H H 1 7.617 0.006 . 1 . . 145 . . 61 GLN H . 27148 1 633 . 1 1 61 61 GLN HA H 1 4.201 0.007 . 1 . . 1313 . . 61 GLN HA . 27148 1 634 . 1 1 61 61 GLN HB2 H 1 2.011 0.003 . 2 . . 1817 . . 61 GLN HB2 . 27148 1 635 . 1 1 61 61 GLN HB3 H 1 1.678 0.002 . 2 . . 2093 . . 61 GLN HB3 . 27148 1 636 . 1 1 61 61 GLN HG2 H 1 2.101 0.002 . 2 . . 1815 . . 61 GLN HG2 . 27148 1 637 . 1 1 61 61 GLN HG3 H 1 2.353 0.006 . 2 . . 1816 . . 61 GLN HG3 . 27148 1 638 . 1 1 61 61 GLN HE21 H 1 6.333 0.006 . 1 . . 217 . . 61 GLN HE21 . 27148 1 639 . 1 1 61 61 GLN HE22 H 1 7.047 0.02 . 1 . . 270 . . 61 GLN HE22 . 27148 1 640 . 1 1 61 61 GLN CA C 13 59.132 0.084 . 1 . . 521 . . 61 GLN CA . 27148 1 641 . 1 1 61 61 GLN CB C 13 27.441 0.038 . 1 . . 520 . . 61 GLN CB . 27148 1 642 . 1 1 61 61 GLN CG C 13 33.048 0.076 . 1 . . 1753 . . 61 GLN CG . 27148 1 643 . 1 1 61 61 GLN CD C 13 179.288 . . 1 . . 2183 . . 61 GLN CD . 27148 1 644 . 1 1 61 61 GLN N N 15 118.380 0.017 . 1 . . 218 . . 61 GLN N . 27148 1 645 . 1 1 61 61 GLN NE2 N 15 110.822 0.033 . 1 . . 3 . . 61 GLN NE2 . 27148 1 646 . 1 1 62 62 SER H H 1 7.880 0.002 . 1 . . 170 . . 62 SER H . 27148 1 647 . 1 1 62 62 SER HA H 1 4.160 . . 1 . . 2071 . . 62 SER HA . 27148 1 648 . 1 1 62 62 SER HB2 H 1 4.169 . . 2 . . 2186 . . 62 SER HB2 . 27148 1 649 . 1 1 62 62 SER HB3 H 1 4.128 . . 2 . . 2187 . . 62 SER HB3 . 27148 1 650 . 1 1 62 62 SER C C 13 176.109 . . 1 . . 734 . . 62 SER C . 27148 1 651 . 1 1 62 62 SER CA C 13 61.884 . . 1 . . 2070 . . 62 SER CA . 27148 1 652 . 1 1 62 62 SER CB C 13 63.016 0.063 . 1 . . 1531 . . 62 SER CB . 27148 1 653 . 1 1 62 62 SER N N 15 112.991 0.001 . 1 . . 171 . . 62 SER N . 27148 1 654 . 1 1 63 63 ASP H H 1 8.136 0.004 . 1 . . 72 . . 63 ASP H . 27148 1 655 . 1 1 63 63 ASP HA H 1 4.600 0.004 . 1 . . 922 . . 63 ASP HA . 27148 1 656 . 1 1 63 63 ASP HB2 H 1 2.829 0.003 . 2 . . 923 . . 63 ASP HB2 . 27148 1 657 . 1 1 63 63 ASP HB3 H 1 2.946 0.008 . 2 . . 1814 . . 63 ASP HB3 . 27148 1 658 . 1 1 63 63 ASP C C 13 177.683 . . 1 . . 723 . . 63 ASP C . 27148 1 659 . 1 1 63 63 ASP CA C 13 57.679 0.083 . 1 . . 519 . . 63 ASP CA . 27148 1 660 . 1 1 63 63 ASP CB C 13 42.921 0.054 . 1 . . 518 . . 63 ASP CB . 27148 1 661 . 1 1 63 63 ASP N N 15 120.822 0.022 . 1 . . 73 . . 63 ASP N . 27148 1 662 . 1 1 64 64 ALA H H 1 8.283 0.004 . 1 . . 36 . . 64 ALA H . 27148 1 663 . 1 1 64 64 ALA HA H 1 3.975 0.002 . 1 . . 919 . . 64 ALA HA . 27148 1 664 . 1 1 64 64 ALA HB1 H 1 1.379 0.001 . 1 . . 920 . . 64 ALA HB1 . 27148 1 665 . 1 1 64 64 ALA HB2 H 1 1.379 0.001 . 1 . . 920 . . 64 ALA HB2 . 27148 1 666 . 1 1 64 64 ALA HB3 H 1 1.379 0.001 . 1 . . 920 . . 64 ALA HB3 . 27148 1 667 . 1 1 64 64 ALA C C 13 179.574 . . 1 . . 707 . . 64 ALA C . 27148 1 668 . 1 1 64 64 ALA CA C 13 55.344 0.088 . 1 . . 517 . . 64 ALA CA . 27148 1 669 . 1 1 64 64 ALA CB C 13 17.709 0.073 . 1 . . 516 . . 64 ALA CB . 27148 1 670 . 1 1 64 64 ALA N N 15 122.443 0.007 . 1 . . 37 . . 64 ALA N . 27148 1 671 . 1 1 65 65 ALA H H 1 8.478 0.005 . 1 . . 48 . . 65 ALA H . 27148 1 672 . 1 1 65 65 ALA HA H 1 4.080 0.005 . 1 . . 914 . . 65 ALA HA . 27148 1 673 . 1 1 65 65 ALA HB1 H 1 1.733 0.002 . 1 . . 915 . . 65 ALA HB1 . 27148 1 674 . 1 1 65 65 ALA HB2 H 1 1.733 0.002 . 1 . . 915 . . 65 ALA HB2 . 27148 1 675 . 1 1 65 65 ALA HB3 H 1 1.733 0.002 . 1 . . 915 . . 65 ALA HB3 . 27148 1 676 . 1 1 65 65 ALA C C 13 179.428 . . 1 . . 691 . . 65 ALA C . 27148 1 677 . 1 1 65 65 ALA CA C 13 55.064 0.114 . 1 . . 628 . . 65 ALA CA . 27148 1 678 . 1 1 65 65 ALA CB C 13 17.953 0.051 . 1 . . 629 . . 65 ALA CB . 27148 1 679 . 1 1 65 65 ALA N N 15 119.778 0.011 . 1 . . 49 . . 65 ALA N . 27148 1 680 . 1 1 66 66 HIS H H 1 8.615 0.005 . 1 . . 94 . . 66 HIS H . 27148 1 681 . 1 1 66 66 HIS HA H 1 3.798 0.002 . 1 . . 856 . . 66 HIS HA . 27148 1 682 . 1 1 66 66 HIS HB2 H 1 3.227 0.004 . 2 . . 857 . . 66 HIS HB2 . 27148 1 683 . 1 1 66 66 HIS HB3 H 1 2.415 0.003 . 2 . . 858 . . 66 HIS HB3 . 27148 1 684 . 1 1 66 66 HIS C C 13 177.508 . . 1 . . 2189 . . 66 HIS C . 27148 1 685 . 1 1 66 66 HIS CA C 13 57.659 0.06 . 1 . . 393 . . 66 HIS CA . 27148 1 686 . 1 1 66 66 HIS CB C 13 28.394 0.053 . 1 . . 392 . . 66 HIS CB . 27148 1 687 . 1 1 66 66 HIS N N 15 117.750 0.029 . 1 . . 95 . . 66 HIS N . 27148 1 688 . 1 1 67 67 ASN H H 1 8.383 0.004 . 1 . . 90 . . 67 ASN H . 27148 1 689 . 1 1 67 67 ASN HA H 1 4.368 0.002 . 1 . . 1808 . . 67 ASN HA . 27148 1 690 . 1 1 67 67 ASN HB2 H 1 2.636 0.006 . 2 . . 1806 . . 67 ASN HB2 . 27148 1 691 . 1 1 67 67 ASN HB3 H 1 2.932 0.004 . 2 . . 1807 . . 67 ASN HB3 . 27148 1 692 . 1 1 67 67 ASN HD21 H 1 8.406 0.009 . 1 . . 118 . . 67 ASN HD21 . 27148 1 693 . 1 1 67 67 ASN HD22 H 1 7.116 0.008 . 1 . . 134 . . 67 ASN HD22 . 27148 1 694 . 1 1 67 67 ASN C C 13 177.254 . . 1 . . 709 . . 67 ASN C . 27148 1 695 . 1 1 67 67 ASN CA C 13 56.155 0.054 . 1 . . 630 . . 67 ASN CA . 27148 1 696 . 1 1 67 67 ASN CB C 13 37.396 0.084 . 1 . . 422 . . 67 ASN CB . 27148 1 697 . 1 1 67 67 ASN CG C 13 175.705 0.009 . 1 . . 799 . . 67 ASN CG . 27148 1 698 . 1 1 67 67 ASN N N 15 118.971 0.028 . 1 . . 91 . . 67 ASN N . 27148 1 699 . 1 1 67 67 ASN ND2 N 15 115.518 0.054 . 1 . . 119 . . 67 ASN ND2 . 27148 1 700 . 1 1 68 68 ALA H H 1 8.457 0.002 . 1 . . 310 . . 68 ALA H . 27148 1 701 . 1 1 68 68 ALA HA H 1 4.420 0.009 . 1 . . 853 . . 68 ALA HA . 27148 1 702 . 1 1 68 68 ALA HB1 H 1 1.453 0.0 . 1 . . 852 . . 68 ALA HB1 . 27148 1 703 . 1 1 68 68 ALA HB2 H 1 1.453 0.0 . 1 . . 852 . . 68 ALA HB2 . 27148 1 704 . 1 1 68 68 ALA HB3 H 1 1.453 0.0 . 1 . . 852 . . 68 ALA HB3 . 27148 1 705 . 1 1 68 68 ALA C C 13 179.080 . . 1 . . 694 . . 68 ALA C . 27148 1 706 . 1 1 68 68 ALA CA C 13 55.655 0.041 . 1 . . 421 . . 68 ALA CA . 27148 1 707 . 1 1 68 68 ALA CB C 13 18.602 0.037 . 1 . . 420 . . 68 ALA CB . 27148 1 708 . 1 1 68 68 ALA N N 15 124.419 0.013 . 1 . . 311 . . 68 ALA N . 27148 1 709 . 1 1 69 69 LEU H H 1 8.594 0.001 . 1 . . 260 . . 69 LEU H . 27148 1 710 . 1 1 69 69 LEU HA H 1 4.002 0.007 . 1 . . 1647 . . 69 LEU HA . 27148 1 711 . 1 1 69 69 LEU HB2 H 1 2.172 0.007 . 2 . . 1398 . . 69 LEU HB2 . 27148 1 712 . 1 1 69 69 LEU HB3 H 1 1.577 0.004 . 2 . . 1795 . . 69 LEU HB3 . 27148 1 713 . 1 1 69 69 LEU HG H 1 2.007 0.003 . 1 . . 1796 . . 69 LEU HG . 27148 1 714 . 1 1 69 69 LEU HD11 H 1 1.252 0.001 . 2 . . 1150 . . 69 LEU HD11 . 27148 1 715 . 1 1 69 69 LEU HD12 H 1 1.252 0.001 . 2 . . 1150 . . 69 LEU HD12 . 27148 1 716 . 1 1 69 69 LEU HD13 H 1 1.252 0.001 . 2 . . 1150 . . 69 LEU HD13 . 27148 1 717 . 1 1 69 69 LEU HD21 H 1 0.954 0.004 . 2 . . 1165 . . 69 LEU HD21 . 27148 1 718 . 1 1 69 69 LEU HD22 H 1 0.954 0.004 . 2 . . 1165 . . 69 LEU HD22 . 27148 1 719 . 1 1 69 69 LEU HD23 H 1 0.954 0.004 . 2 . . 1165 . . 69 LEU HD23 . 27148 1 720 . 1 1 69 69 LEU C C 13 180.233 . . 1 . . 743 . . 69 LEU C . 27148 1 721 . 1 1 69 69 LEU CA C 13 58.342 0.05 . 1 . . 512 . . 69 LEU CA . 27148 1 722 . 1 1 69 69 LEU CB C 13 42.311 0.045 . 1 . . 513 . . 69 LEU CB . 27148 1 723 . 1 1 69 69 LEU CG C 13 27.280 0.022 . 1 . . 1797 . . 69 LEU CG . 27148 1 724 . 1 1 69 69 LEU CD1 C 13 27.412 0.013 . 2 . . 1151 . . 69 LEU CD1 . 27148 1 725 . 1 1 69 69 LEU CD2 C 13 24.466 0.015 . 2 . . 1166 . . 69 LEU CD2 . 27148 1 726 . 1 1 69 69 LEU N N 15 118.552 0.022 . 1 . . 261 . . 69 LEU N . 27148 1 727 . 1 1 70 70 GLN H H 1 7.931 0.002 . 1 . . 162 . . 70 GLN H . 27148 1 728 . 1 1 70 70 GLN HA H 1 4.042 0.001 . 1 . . 850 . . 70 GLN HA . 27148 1 729 . 1 1 70 70 GLN HB2 H 1 2.176 0.005 . 1 . . 2106 . . 70 GLN HB2 . 27148 1 730 . 1 1 70 70 GLN HG2 H 1 2.216 0.007 . 2 . . 1091 . . 70 GLN HG2 . 27148 1 731 . 1 1 70 70 GLN HG3 H 1 2.470 0.005 . 2 . . 1538 . . 70 GLN HG3 . 27148 1 732 . 1 1 70 70 GLN HE21 H 1 6.970 0.007 . 1 . . 66 . . 70 GLN HE21 . 27148 1 733 . 1 1 70 70 GLN HE22 H 1 6.472 0.023 . 1 . . 237 . . 70 GLN HE22 . 27148 1 734 . 1 1 70 70 GLN C C 13 178.537 . . 1 . . 739 . . 70 GLN C . 27148 1 735 . 1 1 70 70 GLN CA C 13 59.038 0.078 . 1 . . 511 . . 70 GLN CA . 27148 1 736 . 1 1 70 70 GLN CB C 13 28.723 0.073 . 1 . . 510 . . 70 GLN CB . 27148 1 737 . 1 1 70 70 GLN CG C 13 34.550 0.057 . 1 . . 1092 . . 70 GLN CG . 27148 1 738 . 1 1 70 70 GLN CD C 13 179.994 0.002 . 1 . . 809 . . 70 GLN CD . 27148 1 739 . 1 1 70 70 GLN N N 15 118.124 0.009 . 1 . . 163 . . 70 GLN N . 27148 1 740 . 1 1 70 70 GLN NE2 N 15 110.438 0.021 . 1 . . 67 . . 70 GLN NE2 . 27148 1 741 . 1 1 71 71 TYR H H 1 8.060 0.003 . 1 . . 306 . . 71 TYR H . 27148 1 742 . 1 1 71 71 TYR HA H 1 4.107 0.002 . 1 . . 843 . . 71 TYR HA . 27148 1 743 . 1 1 71 71 TYR HB2 H 1 2.885 0.007 . 2 . . 844 . . 71 TYR HB2 . 27148 1 744 . 1 1 71 71 TYR HB3 H 1 2.584 0.001 . 2 . . 845 . . 71 TYR HB3 . 27148 1 745 . 1 1 71 71 TYR C C 13 176.575 . . 1 . . 705 . . 71 TYR C . 27148 1 746 . 1 1 71 71 TYR CA C 13 61.317 0.075 . 1 . . 508 . . 71 TYR CA . 27148 1 747 . 1 1 71 71 TYR CB C 13 37.669 0.078 . 1 . . 509 . . 71 TYR CB . 27148 1 748 . 1 1 71 71 TYR N N 15 121.991 0.021 . 1 . . 307 . . 71 TYR N . 27148 1 749 . 1 1 72 72 LEU H H 1 8.501 0.001 . 1 . . 52 . . 72 LEU H . 27148 1 750 . 1 1 72 72 LEU HA H 1 3.672 0.005 . 1 . . 1786 . . 72 LEU HA . 27148 1 751 . 1 1 72 72 LEU HB2 H 1 1.859 0.01 . 2 . . 895 . . 72 LEU HB2 . 27148 1 752 . 1 1 72 72 LEU HB3 H 1 1.440 0.01 . 2 . . 1789 . . 72 LEU HB3 . 27148 1 753 . 1 1 72 72 LEU HG H 1 1.906 0.006 . 1 . . 1790 . . 72 LEU HG . 27148 1 754 . 1 1 72 72 LEU HD11 H 1 0.865 0.001 . 2 . . 1785 . . 72 LEU HD11 . 27148 1 755 . 1 1 72 72 LEU HD12 H 1 0.865 0.001 . 2 . . 1785 . . 72 LEU HD12 . 27148 1 756 . 1 1 72 72 LEU HD13 H 1 0.865 0.001 . 2 . . 1785 . . 72 LEU HD13 . 27148 1 757 . 1 1 72 72 LEU HD21 H 1 0.737 0.005 . 2 . . 1792 . . 72 LEU HD21 . 27148 1 758 . 1 1 72 72 LEU HD22 H 1 0.737 0.005 . 2 . . 1792 . . 72 LEU HD22 . 27148 1 759 . 1 1 72 72 LEU HD23 H 1 0.737 0.005 . 2 . . 1792 . . 72 LEU HD23 . 27148 1 760 . 1 1 72 72 LEU C C 13 179.257 . . 1 . . 782 . . 72 LEU C . 27148 1 761 . 1 1 72 72 LEU CA C 13 57.333 0.071 . 1 . . 1787 . . 72 LEU CA . 27148 1 762 . 1 1 72 72 LEU CB C 13 41.384 0.041 . 1 . . 1788 . . 72 LEU CB . 27148 1 763 . 1 1 72 72 LEU CG C 13 27.013 0.032 . 1 . . 1791 . . 72 LEU CG . 27148 1 764 . 1 1 72 72 LEU CD1 C 13 26.467 0.054 . 2 . . 1794 . . 72 LEU CD1 . 27148 1 765 . 1 1 72 72 LEU CD2 C 13 21.703 0.026 . 2 . . 1793 . . 72 LEU CD2 . 27148 1 766 . 1 1 72 72 LEU N N 15 118.419 0.009 . 1 . . 53 . . 72 LEU N . 27148 1 767 . 1 1 73 73 LYS H H 1 7.564 0.003 . 1 . . 192 . . 73 LYS H . 27148 1 768 . 1 1 73 73 LYS HA H 1 3.975 0.002 . 1 . . 1235 . . 73 LYS HA . 27148 1 769 . 1 1 73 73 LYS HB2 H 1 1.912 0.005 . 1 . . 1612 . . 73 LYS HB2 . 27148 1 770 . 1 1 73 73 LYS HG2 H 1 1.566 0.002 . 2 . . 1350 . . 73 LYS HG2 . 27148 1 771 . 1 1 73 73 LYS HG3 H 1 1.422 0.002 . 2 . . 1641 . . 73 LYS HG3 . 27148 1 772 . 1 1 73 73 LYS HD2 H 1 1.691 0.003 . 1 . . 1293 . . 73 LYS HD2 . 27148 1 773 . 1 1 73 73 LYS HE2 H 1 2.968 0.007 . 1 . . 1436 . . 73 LYS HE2 . 27148 1 774 . 1 1 73 73 LYS C C 13 177.875 . . 1 . . 788 . . 73 LYS C . 27148 1 775 . 1 1 73 73 LYS CA C 13 58.803 0.126 . 1 . . 472 . . 73 LYS CA . 27148 1 776 . 1 1 73 73 LYS CB C 13 32.179 0.095 . 1 . . 473 . . 73 LYS CB . 27148 1 777 . 1 1 73 73 LYS CG C 13 24.801 0.022 . 1 . . 1351 . . 73 LYS CG . 27148 1 778 . 1 1 73 73 LYS CD C 13 29.185 0.056 . 1 . . 888 . . 73 LYS CD . 27148 1 779 . 1 1 73 73 LYS CE C 13 42.033 0.044 . 1 . . 1437 . . 73 LYS CE . 27148 1 780 . 1 1 73 73 LYS N N 15 118.506 0.029 . 1 . . 193 . . 73 LYS N . 27148 1 781 . 1 1 74 74 ILE H H 1 7.511 0.005 . 1 . . 100 . . 74 ILE H . 27148 1 782 . 1 1 74 74 ILE HA H 1 3.807 0.007 . 1 . . 880 . . 74 ILE HA . 27148 1 783 . 1 1 74 74 ILE HB H 1 1.988 0.009 . 1 . . 881 . . 74 ILE HB . 27148 1 784 . 1 1 74 74 ILE HG12 H 1 1.202 0.007 . 2 . . 1782 . . 74 ILE HG12 . 27148 1 785 . 1 1 74 74 ILE HG13 H 1 1.685 0.005 . 2 . . 1783 . . 74 ILE HG13 . 27148 1 786 . 1 1 74 74 ILE HG21 H 1 0.823 0.002 . 1 . . 1780 . . 74 ILE HG21 . 27148 1 787 . 1 1 74 74 ILE HG22 H 1 0.823 0.002 . 1 . . 1780 . . 74 ILE HG22 . 27148 1 788 . 1 1 74 74 ILE HG23 H 1 0.823 0.002 . 1 . . 1780 . . 74 ILE HG23 . 27148 1 789 . 1 1 74 74 ILE HD11 H 1 0.861 0.001 . 1 . . 1779 . . 74 ILE HD11 . 27148 1 790 . 1 1 74 74 ILE HD12 H 1 0.861 0.001 . 1 . . 1779 . . 74 ILE HD12 . 27148 1 791 . 1 1 74 74 ILE HD13 H 1 0.861 0.001 . 1 . . 1779 . . 74 ILE HD13 . 27148 1 792 . 1 1 74 74 ILE C C 13 178.758 . . 1 . . 792 . . 74 ILE C . 27148 1 793 . 1 1 74 74 ILE CA C 13 63.790 0.094 . 1 . . 470 . . 74 ILE CA . 27148 1 794 . 1 1 74 74 ILE CB C 13 37.745 0.089 . 1 . . 471 . . 74 ILE CB . 27148 1 795 . 1 1 74 74 ILE CG1 C 13 28.337 0.049 . 1 . . 882 . . 74 ILE CG1 . 27148 1 796 . 1 1 74 74 ILE CG2 C 13 17.130 0.047 . 1 . . 1415 . . 74 ILE CG2 . 27148 1 797 . 1 1 74 74 ILE CD1 C 13 13.434 0.037 . 1 . . 1781 . . 74 ILE CD1 . 27148 1 798 . 1 1 74 74 ILE N N 15 118.903 0.017 . 1 . . 101 . . 74 ILE N . 27148 1 799 . 1 1 75 75 ILE H H 1 7.455 0.002 . 1 . . 160 . . 75 ILE H . 27148 1 800 . 1 1 75 75 ILE HA H 1 3.848 0.002 . 1 . . 872 . . 75 ILE HA . 27148 1 801 . 1 1 75 75 ILE HB H 1 1.773 0.002 . 1 . . 873 . . 75 ILE HB . 27148 1 802 . 1 1 75 75 ILE HG12 H 1 1.133 0.002 . 2 . . 1380 . . 75 ILE HG12 . 27148 1 803 . 1 1 75 75 ILE HG13 H 1 0.973 0.003 . 2 . . 1717 . . 75 ILE HG13 . 27148 1 804 . 1 1 75 75 ILE HG21 H 1 0.716 0.004 . 1 . . 1152 . . 75 ILE HG21 . 27148 1 805 . 1 1 75 75 ILE HG22 H 1 0.716 0.004 . 1 . . 1152 . . 75 ILE HG22 . 27148 1 806 . 1 1 75 75 ILE HG23 H 1 0.716 0.004 . 1 . . 1152 . . 75 ILE HG23 . 27148 1 807 . 1 1 75 75 ILE HD11 H 1 0.661 0.004 . 1 . . 1348 . . 75 ILE HD11 . 27148 1 808 . 1 1 75 75 ILE HD12 H 1 0.661 0.004 . 1 . . 1348 . . 75 ILE HD12 . 27148 1 809 . 1 1 75 75 ILE HD13 H 1 0.661 0.004 . 1 . . 1348 . . 75 ILE HD13 . 27148 1 810 . 1 1 75 75 ILE C C 13 177.721 . . 1 . . 769 . . 75 ILE C . 27148 1 811 . 1 1 75 75 ILE CA C 13 62.626 0.083 . 1 . . 441 . . 75 ILE CA . 27148 1 812 . 1 1 75 75 ILE CB C 13 37.492 0.026 . 1 . . 1704 . . 75 ILE CB . 27148 1 813 . 1 1 75 75 ILE CG1 C 13 26.859 0.033 . 1 . . 1718 . . 75 ILE CG1 . 27148 1 814 . 1 1 75 75 ILE CG2 C 13 17.712 0.092 . 1 . . 1153 . . 75 ILE CG2 . 27148 1 815 . 1 1 75 75 ILE CD1 C 13 12.452 0.022 . 1 . . 1349 . . 75 ILE CD1 . 27148 1 816 . 1 1 75 75 ILE N N 15 116.241 0.017 . 1 . . 161 . . 75 ILE N . 27148 1 817 . 1 1 76 76 ALA H H 1 7.707 0.003 . 1 . . 246 . . 76 ALA H . 27148 1 818 . 1 1 76 76 ALA HA H 1 4.188 0.001 . 1 . . 864 . . 76 ALA HA . 27148 1 819 . 1 1 76 76 ALA HB1 H 1 1.473 0.001 . 1 . . 863 . . 76 ALA HB1 . 27148 1 820 . 1 1 76 76 ALA HB2 H 1 1.473 0.001 . 1 . . 863 . . 76 ALA HB2 . 27148 1 821 . 1 1 76 76 ALA HB3 H 1 1.473 0.001 . 1 . . 863 . . 76 ALA HB3 . 27148 1 822 . 1 1 76 76 ALA C C 13 178.747 . . 1 . . 763 . . 76 ALA C . 27148 1 823 . 1 1 76 76 ALA CA C 13 53.808 0.056 . 1 . . 378 . . 76 ALA CA . 27148 1 824 . 1 1 76 76 ALA CB C 13 18.913 0.029 . 1 . . 379 . . 76 ALA CB . 27148 1 825 . 1 1 76 76 ALA N N 15 123.812 0.012 . 1 . . 247 . . 76 ALA N . 27148 1 826 . 1 1 77 77 GLU H H 1 7.764 0.002 . 1 . . 296 . . 77 GLU H . 27148 1 827 . 1 1 77 77 GLU HA H 1 4.264 0.009 . 1 . . 912 . . 77 GLU HA . 27148 1 828 . 1 1 77 77 GLU HB2 H 1 1.987 0.004 . 2 . . 2063 . . 77 GLU HB2 . 27148 1 829 . 1 1 77 77 GLU HB3 H 1 2.135 0.006 . 2 . . 2064 . . 77 GLU HB3 . 27148 1 830 . 1 1 77 77 GLU HG2 H 1 2.273 0.006 . 2 . . 2061 . . 77 GLU HG2 . 27148 1 831 . 1 1 77 77 GLU HG3 H 1 2.449 0.004 . 2 . . 2062 . . 77 GLU HG3 . 27148 1 832 . 1 1 77 77 GLU C C 13 176.526 . . 1 . . 770 . . 77 GLU C . 27148 1 833 . 1 1 77 77 GLU CA C 13 56.533 0.059 . 1 . . 450 . . 77 GLU CA . 27148 1 834 . 1 1 77 77 GLU CB C 13 29.959 0.033 . 1 . . 451 . . 77 GLU CB . 27148 1 835 . 1 1 77 77 GLU CG C 13 36.228 0.021 . 1 . . 911 . . 77 GLU CG . 27148 1 836 . 1 1 77 77 GLU N N 15 116.760 0.007 . 1 . . 297 . . 77 GLU N . 27148 1 837 . 1 1 78 78 ARG H H 1 7.698 0.006 . 1 . . 96 . . 78 ARG H . 27148 1 838 . 1 1 78 78 ARG HA H 1 4.315 0.002 . 1 . . 900 . . 78 ARG HA . 27148 1 839 . 1 1 78 78 ARG HB2 H 1 1.800 0.009 . 2 . . 901 . . 78 ARG HB2 . 27148 1 840 . 1 1 78 78 ARG HB3 H 1 1.926 0.003 . 2 . . 1395 . . 78 ARG HB3 . 27148 1 841 . 1 1 78 78 ARG HG2 H 1 1.782 0.007 . 2 . . 902 . . 78 ARG HG2 . 27148 1 842 . 1 1 78 78 ARG HG3 H 1 1.684 0.005 . 2 . . 1107 . . 78 ARG HG3 . 27148 1 843 . 1 1 78 78 ARG HD2 H 1 3.163 0.001 . 1 . . 899 . . 78 ARG HD2 . 27148 1 844 . 1 1 78 78 ARG HE H 1 7.412 0.0 . 1 . . 12 . . 78 ARG HE . 27148 1 845 . 1 1 78 78 ARG C C 13 175.427 . . 1 . . 749 . . 78 ARG C . 27148 1 846 . 1 1 78 78 ARG CA C 13 56.561 0.061 . 1 . . 526 . . 78 ARG CA . 27148 1 847 . 1 1 78 78 ARG CB C 13 30.565 0.034 . 1 . . 527 . . 78 ARG CB . 27148 1 848 . 1 1 78 78 ARG CG C 13 27.104 0.023 . 1 . . 898 . . 78 ARG CG . 27148 1 849 . 1 1 78 78 ARG CD C 13 43.649 0.019 . 1 . . 897 . . 78 ARG CD . 27148 1 850 . 1 1 78 78 ARG N N 15 121.444 0.011 . 1 . . 97 . . 78 ARG N . 27148 1 851 . 1 1 78 78 ARG NE N 15 84.863 0.005 . 1 . . 13 . . 78 ARG NE . 27148 1 852 . 1 1 79 79 LYS H H 1 7.880 0.003 . 1 . . 166 . . 79 LYS H . 27148 1 853 . 1 1 79 79 LYS HA H 1 4.163 0.002 . 1 . . 2097 . . 79 LYS HA . 27148 1 854 . 1 1 79 79 LYS HB2 H 1 1.737 0.005 . 2 . . 2100 . . 79 LYS HB2 . 27148 1 855 . 1 1 79 79 LYS HB3 H 1 1.854 0.005 . 2 . . 2101 . . 79 LYS HB3 . 27148 1 856 . 1 1 79 79 LYS HG2 H 1 1.425 0.002 . 1 . . 2104 . . 79 LYS HG2 . 27148 1 857 . 1 1 79 79 LYS HD2 H 1 1.685 0.002 . 1 . . 2102 . . 79 LYS HD2 . 27148 1 858 . 1 1 79 79 LYS HE2 H 1 3.006 0.005 . 1 . . 2098 . . 79 LYS HE2 . 27148 1 859 . 1 1 79 79 LYS CA C 13 57.634 0.033 . 1 . . 636 . . 79 LYS CA . 27148 1 860 . 1 1 79 79 LYS CB C 13 33.710 0.087 . 1 . . 635 . . 79 LYS CB . 27148 1 861 . 1 1 79 79 LYS CG C 13 24.758 0.017 . 1 . . 2105 . . 79 LYS CG . 27148 1 862 . 1 1 79 79 LYS CD C 13 29.091 0.021 . 1 . . 2103 . . 79 LYS CD . 27148 1 863 . 1 1 79 79 LYS CE C 13 42.213 0.05 . 1 . . 2099 . . 79 LYS CE . 27148 1 864 . 1 1 79 79 LYS N N 15 128.014 0.01 . 1 . . 167 . . 79 LYS N . 27148 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 27148 _Assigned_chem_shift_list.ID 2 _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 $chemical_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 '1H-15N SOFAST-HMQC' . . . 27148 2 2 HNCACB . . . 27148 2 3 CBCACONH . . . 27148 2 4 HNCO . . . 27148 2 5 CC(CO)NH-TOCSY . . . 27148 2 6 HCCH-TOCSY . . . 27148 2 7 '1H-13C HSQC' . . . 27148 2 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 2 $CcpNmr_Analysis . . 27148 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 . 2 1 2 2 PRO HA H 1 4.508 0.002 . 1 . . 1490 . . 2 PRO HA . 27148 2 2 . 2 1 2 2 PRO HB2 H 1 2.379 0.002 . 2 . . 1299 . . 2 PRO HB2 . 27148 2 3 . 2 1 2 2 PRO HB3 H 1 2.144 0.002 . 2 . . 2137 . . 2 PRO HB3 . 27148 2 4 . 2 1 2 2 PRO HG2 H 1 1.931 0.002 . 2 . . 1576 . . 2 PRO HG2 . 27148 2 5 . 2 1 2 2 PRO HG3 H 1 1.817 0.004 . 2 . . 1651 . . 2 PRO HG3 . 27148 2 6 . 2 1 2 2 PRO HD2 H 1 3.582 0.007 . 2 . . 1400 . . 2 PRO HD2 . 27148 2 7 . 2 1 2 2 PRO HD3 H 1 3.579 0.01 . 2 . . 2144 . . 2 PRO HD3 . 27148 2 8 . 2 1 2 2 PRO CA C 13 62.226 0.101 . 1 . . 1491 . . 2 PRO CA . 27148 2 9 . 2 1 2 2 PRO CB C 13 34.609 0.058 . 1 . . 1110 . . 2 PRO CB . 27148 2 10 . 2 1 2 2 PRO CG C 13 24.764 0.028 . 1 . . 1577 . . 2 PRO CG . 27148 2 11 . 2 1 2 2 PRO CD C 13 50.225 0.031 . 1 . . 1126 . . 2 PRO CD . 27148 2 12 . 2 1 3 3 ALA H H 1 8.576 0.001 . 1 . . 2145 . . 3 ALA H . 27148 2 13 . 2 1 3 3 ALA HA H 1 4.333 0.003 . 1 . . 2050 . . 3 ALA HA . 27148 2 14 . 2 1 3 3 ALA HB1 H 1 1.375 0.003 . 1 . . 2052 . . 3 ALA HB1 . 27148 2 15 . 2 1 3 3 ALA HB2 H 1 1.375 0.003 . 1 . . 2052 . . 3 ALA HB2 . 27148 2 16 . 2 1 3 3 ALA HB3 H 1 1.375 0.003 . 1 . . 2052 . . 3 ALA HB3 . 27148 2 17 . 2 1 3 3 ALA C C 13 177.722 . . 1 . . 713 . . 3 ALA C . 27148 2 18 . 2 1 3 3 ALA CA C 13 52.546 0.046 . 1 . . 2053 . . 3 ALA CA . 27148 2 19 . 2 1 3 3 ALA CB C 13 19.128 0.012 . 1 . . 2051 . . 3 ALA CB . 27148 2 20 . 2 1 3 3 ALA N N 15 124.686 0.029 . 1 . . 2146 . . 3 ALA N . 27148 2 21 . 2 1 4 4 MET H H 1 8.438 0.004 . 1 . . 20 . . 4 MET H . 27148 2 22 . 2 1 4 4 MET C C 13 175.853 . . 1 . . 762 . . 4 MET C . 27148 2 23 . 2 1 4 4 MET CA C 13 55.602 0.099 . 1 . . 479 . . 4 MET CA . 27148 2 24 . 2 1 4 4 MET CB C 13 32.807 0.04 . 1 . . 480 . . 4 MET CB . 27148 2 25 . 2 1 4 4 MET N N 15 120.050 0.016 . 1 . . 21 . . 4 MET N . 27148 2 26 . 2 1 5 5 THR H H 1 7.782 0.003 . 1 . . 38 . . 5 THR H . 27148 2 27 . 2 1 5 5 THR HA H 1 3.870 0.001 . 1 . . 2037 . . 5 THR HA . 27148 2 28 . 2 1 5 5 THR HB H 1 3.718 0.012 . 1 . . 2038 . . 5 THR HB . 27148 2 29 . 2 1 5 5 THR HG21 H 1 0.826 0.006 . 1 . . 2040 . . 5 THR HG21 . 27148 2 30 . 2 1 5 5 THR HG22 H 1 0.826 0.006 . 1 . . 2040 . . 5 THR HG22 . 27148 2 31 . 2 1 5 5 THR HG23 H 1 0.826 0.006 . 1 . . 2040 . . 5 THR HG23 . 27148 2 32 . 2 1 5 5 THR C C 13 173.038 . . 1 . . 736 . . 5 THR C . 27148 2 33 . 2 1 5 5 THR CA C 13 61.817 0.085 . 1 . . 478 . . 5 THR CA . 27148 2 34 . 2 1 5 5 THR CB C 13 69.348 0.072 . 1 . . 586 . . 5 THR CB . 27148 2 35 . 2 1 5 5 THR CG2 C 13 21.766 0.072 . 1 . . 2035 . . 5 THR CG2 . 27148 2 36 . 2 1 5 5 THR N N 15 114.291 0.02 . 1 . . 39 . . 5 THR N . 27148 2 37 . 2 1 6 6 ASP H H 1 8.106 0.002 . 1 . . 314 . . 6 ASP H . 27148 2 38 . 2 1 6 6 ASP HA H 1 4.558 0.006 . 1 . . 2028 . . 6 ASP HA . 27148 2 39 . 2 1 6 6 ASP HB2 H 1 2.418 0.005 . 2 . . 2031 . . 6 ASP HB2 . 27148 2 40 . 2 1 6 6 ASP HB3 H 1 2.916 0.001 . 2 . . 2032 . . 6 ASP HB3 . 27148 2 41 . 2 1 6 6 ASP C C 13 175.970 . . 1 . . 791 . . 6 ASP C . 27148 2 42 . 2 1 6 6 ASP CA C 13 52.333 0.034 . 1 . . 477 . . 6 ASP CA . 27148 2 43 . 2 1 6 6 ASP CB C 13 40.040 0.051 . 1 . . 476 . . 6 ASP CB . 27148 2 44 . 2 1 6 6 ASP N N 15 124.680 0.004 . 1 . . 315 . . 6 ASP N . 27148 2 45 . 2 1 7 7 TYR H H 1 7.471 0.006 . 1 . . 174 . . 7 TYR H . 27148 2 46 . 2 1 7 7 TYR HA H 1 4.113 0.003 . 1 . . 2023 . . 7 TYR HA . 27148 2 47 . 2 1 7 7 TYR HB2 H 1 2.932 0.012 . 2 . . 2024 . . 7 TYR HB2 . 27148 2 48 . 2 1 7 7 TYR HB3 H 1 3.084 0.002 . 2 . . 2027 . . 7 TYR HB3 . 27148 2 49 . 2 1 7 7 TYR C C 13 177.101 . . 1 . . 742 . . 7 TYR C . 27148 2 50 . 2 1 7 7 TYR CA C 13 61.260 0.074 . 1 . . 475 . . 7 TYR CA . 27148 2 51 . 2 1 7 7 TYR CB C 13 38.513 0.044 . 1 . . 474 . . 7 TYR CB . 27148 2 52 . 2 1 7 7 TYR N N 15 122.560 0.018 . 1 . . 175 . . 7 TYR N . 27148 2 53 . 2 1 8 8 ILE H H 1 7.978 0.002 . 1 . . 128 . . 8 ILE H . 27148 2 54 . 2 1 8 8 ILE HA H 1 3.652 0.002 . 1 . . 2006 . . 8 ILE HA . 27148 2 55 . 2 1 8 8 ILE HB H 1 1.936 0.003 . 1 . . 2007 . . 8 ILE HB . 27148 2 56 . 2 1 8 8 ILE HG12 H 1 1.027 0.007 . 2 . . 2013 . . 8 ILE HG12 . 27148 2 57 . 2 1 8 8 ILE HG13 H 1 1.581 0.007 . 2 . . 2016 . . 8 ILE HG13 . 27148 2 58 . 2 1 8 8 ILE HG21 H 1 0.879 0.006 . 1 . . 2012 . . 8 ILE HG21 . 27148 2 59 . 2 1 8 8 ILE HG22 H 1 0.879 0.006 . 1 . . 2012 . . 8 ILE HG22 . 27148 2 60 . 2 1 8 8 ILE HG23 H 1 0.879 0.006 . 1 . . 2012 . . 8 ILE HG23 . 27148 2 61 . 2 1 8 8 ILE HD11 H 1 0.660 0.006 . 1 . . 2011 . . 8 ILE HD11 . 27148 2 62 . 2 1 8 8 ILE HD12 H 1 0.660 0.006 . 1 . . 2011 . . 8 ILE HD12 . 27148 2 63 . 2 1 8 8 ILE HD13 H 1 0.660 0.006 . 1 . . 2011 . . 8 ILE HD13 . 27148 2 64 . 2 1 8 8 ILE CA C 13 65.111 0.026 . 1 . . 588 . . 8 ILE CA . 27148 2 65 . 2 1 8 8 ILE CB C 13 37.903 0.077 . 1 . . 587 . . 8 ILE CB . 27148 2 66 . 2 1 8 8 ILE CG1 C 13 29.254 0.044 . 1 . . 2017 . . 8 ILE CG1 . 27148 2 67 . 2 1 8 8 ILE CG2 C 13 16.274 0.021 . 1 . . 2019 . . 8 ILE CG2 . 27148 2 68 . 2 1 8 8 ILE CD1 C 13 13.292 0.035 . 1 . . 2020 . . 8 ILE CD1 . 27148 2 69 . 2 1 8 8 ILE N N 15 118.437 0.016 . 1 . . 129 . . 8 ILE N . 27148 2 70 . 2 1 10 10 LEU HA H 1 4.100 0.002 . 1 . . 1991 . . 10 LEU HA . 27148 2 71 . 2 1 10 10 LEU HB2 H 1 1.615 0.002 . 2 . . 1992 . . 10 LEU HB2 . 27148 2 72 . 2 1 10 10 LEU HB3 H 1 1.836 0.004 . 2 . . 1993 . . 10 LEU HB3 . 27148 2 73 . 2 1 10 10 LEU HG H 1 1.722 0.005 . 1 . . 1994 . . 10 LEU HG . 27148 2 74 . 2 1 10 10 LEU HD11 H 1 0.869 0.001 . 2 . . 1995 . . 10 LEU HD11 . 27148 2 75 . 2 1 10 10 LEU HD12 H 1 0.869 0.001 . 2 . . 1995 . . 10 LEU HD12 . 27148 2 76 . 2 1 10 10 LEU HD13 H 1 0.869 0.001 . 2 . . 1995 . . 10 LEU HD13 . 27148 2 77 . 2 1 10 10 LEU HD21 H 1 0.915 0.006 . 2 . . 1996 . . 10 LEU HD21 . 27148 2 78 . 2 1 10 10 LEU HD22 H 1 0.915 0.006 . 2 . . 1996 . . 10 LEU HD22 . 27148 2 79 . 2 1 10 10 LEU HD23 H 1 0.915 0.006 . 2 . . 1996 . . 10 LEU HD23 . 27148 2 80 . 2 1 10 10 LEU C C 13 179.818 . . 1 . . 692 . . 10 LEU C . 27148 2 81 . 2 1 10 10 LEU CA C 13 58.201 0.076 . 1 . . 590 . . 10 LEU CA . 27148 2 82 . 2 1 10 10 LEU CB C 13 42.200 0.036 . 1 . . 589 . . 10 LEU CB . 27148 2 83 . 2 1 10 10 LEU CG C 13 26.890 0.032 . 1 . . 1997 . . 10 LEU CG . 27148 2 84 . 2 1 10 10 LEU CD1 C 13 24.621 0.039 . 2 . . 1998 . . 10 LEU CD1 . 27148 2 85 . 2 1 10 10 LEU CD2 C 13 23.753 0.039 . 2 . . 1999 . . 10 LEU CD2 . 27148 2 86 . 2 1 11 11 LEU H H 1 8.600 0.002 . 1 . . 64 . . 11 LEU H . 27148 2 87 . 2 1 11 11 LEU C C 13 177.886 . . 1 . . 753 . . 11 LEU C . 27148 2 88 . 2 1 11 11 LEU CA C 13 57.984 0.058 . 1 . . 491 . . 11 LEU CA . 27148 2 89 . 2 1 11 11 LEU CB C 13 40.942 0.027 . 1 . . 492 . . 11 LEU CB . 27148 2 90 . 2 1 11 11 LEU N N 15 120.048 0.013 . 1 . . 65 . . 11 LEU N . 27148 2 91 . 2 1 12 12 SER H H 1 7.860 0.002 . 1 . . 10 . . 12 SER H . 27148 2 92 . 2 1 12 12 SER HA H 1 4.053 0.002 . 1 . . 1977 . . 12 SER HA . 27148 2 93 . 2 1 12 12 SER HB2 H 1 4.036 . . 2 . . 1978 . . 12 SER HB2 . 27148 2 94 . 2 1 12 12 SER HB3 H 1 4.093 0.005 . 2 . . 1981 . . 12 SER HB3 . 27148 2 95 . 2 1 12 12 SER C C 13 177.046 . . 1 . . 760 . . 12 SER C . 27148 2 96 . 2 1 12 12 SER CA C 13 61.606 0.025 . 1 . . 591 . . 12 SER CA . 27148 2 97 . 2 1 12 12 SER CB C 13 62.728 0.046 . 1 . . 490 . . 12 SER CB . 27148 2 98 . 2 1 12 12 SER N N 15 114.451 0.015 . 1 . . 11 . . 12 SER N . 27148 2 99 . 2 1 13 13 GLU H H 1 7.807 0.003 . 1 . . 168 . . 13 GLU H . 27148 2 100 . 2 1 13 13 GLU C C 13 179.465 . . 1 . . 764 . . 13 GLU C . 27148 2 101 . 2 1 13 13 GLU CA C 13 59.410 0.03 . 1 . . 489 . . 13 GLU CA . 27148 2 102 . 2 1 13 13 GLU CB C 13 29.331 0.01 . 1 . . 488 . . 13 GLU CB . 27148 2 103 . 2 1 13 13 GLU N N 15 121.649 0.011 . 1 . . 169 . . 13 GLU N . 27148 2 104 . 2 1 14 14 ILE H H 1 7.766 0.007 . 1 . . 214 . . 14 ILE H . 27148 2 105 . 2 1 14 14 ILE C C 13 177.358 . . 1 . . 724 . . 14 ILE C . 27148 2 106 . 2 1 14 14 ILE CA C 13 64.431 0.018 . 1 . . 487 . . 14 ILE CA . 27148 2 107 . 2 1 14 14 ILE CB C 13 37.793 0.027 . 1 . . 486 . . 14 ILE CB . 27148 2 108 . 2 1 14 14 ILE N N 15 122.303 0.009 . 1 . . 215 . . 14 ILE N . 27148 2 109 . 2 1 15 15 ALA H H 1 8.285 0.006 . 1 . . 288 . . 15 ALA H . 27148 2 110 . 2 1 15 15 ALA HA H 1 1.991 0.008 . 1 . . 2128 . . 15 ALA HA . 27148 2 111 . 2 1 15 15 ALA HB1 H 1 1.046 0.001 . 1 . . 2129 . . 15 ALA HB1 . 27148 2 112 . 2 1 15 15 ALA HB2 H 1 1.046 0.001 . 1 . . 2129 . . 15 ALA HB2 . 27148 2 113 . 2 1 15 15 ALA HB3 H 1 1.046 0.001 . 1 . . 2129 . . 15 ALA HB3 . 27148 2 114 . 2 1 15 15 ALA CA C 13 54.709 0.056 . 1 . . 592 . . 15 ALA CA . 27148 2 115 . 2 1 15 15 ALA CB C 13 18.837 0.025 . 1 . . 593 . . 15 ALA CB . 27148 2 116 . 2 1 15 15 ALA N N 15 123.496 0.012 . 1 . . 289 . . 15 ALA N . 27148 2 117 . 2 1 16 16 LYS HA H 1 3.980 . . 1 . . 2158 . . 16 LYS HA . 27148 2 118 . 2 1 16 16 LYS HB2 H 1 1.925 . . 1 . . 2160 . . 16 LYS HB2 . 27148 2 119 . 2 1 16 16 LYS HG2 H 1 1.424 . . 2 . . 2161 . . 16 LYS HG2 . 27148 2 120 . 2 1 16 16 LYS HG3 H 1 1.567 . . 2 . . 2163 . . 16 LYS HG3 . 27148 2 121 . 2 1 16 16 LYS HD2 H 1 1.687 . . 1 . . 2164 . . 16 LYS HD2 . 27148 2 122 . 2 1 16 16 LYS HE2 H 1 2.966 . . 1 . . 2166 . . 16 LYS HE2 . 27148 2 123 . 2 1 16 16 LYS C C 13 179.215 . . 1 . . 777 . . 16 LYS C . 27148 2 124 . 2 1 16 16 LYS CA C 13 58.797 . . 1 . . 2159 . . 16 LYS CA . 27148 2 125 . 2 1 16 16 LYS CB C 13 32.257 0.004 . 1 . . 594 . . 16 LYS CB . 27148 2 126 . 2 1 16 16 LYS CG C 13 24.815 0.025 . 1 . . 2162 . . 16 LYS CG . 27148 2 127 . 2 1 16 16 LYS CD C 13 29.125 . . 1 . . 2165 . . 16 LYS CD . 27148 2 128 . 2 1 16 16 LYS CE C 13 42.062 . . 1 . . 2167 . . 16 LYS CE . 27148 2 129 . 2 1 17 17 GLU H H 1 7.602 0.005 . 1 . . 78 . . 17 GLU H . 27148 2 130 . 2 1 17 17 GLU HA H 1 4.042 0.002 . 1 . . 1949 . . 17 GLU HA . 27148 2 131 . 2 1 17 17 GLU HB2 H 1 2.159 0.008 . 2 . . 1952 . . 17 GLU HB2 . 27148 2 132 . 2 1 17 17 GLU HB3 H 1 2.185 0.017 . 2 . . 1953 . . 17 GLU HB3 . 27148 2 133 . 2 1 17 17 GLU HG2 H 1 2.266 0.002 . 2 . . 1950 . . 17 GLU HG2 . 27148 2 134 . 2 1 17 17 GLU HG3 H 1 2.418 0.003 . 2 . . 1951 . . 17 GLU HG3 . 27148 2 135 . 2 1 17 17 GLU C C 13 178.536 . . 1 . . 717 . . 17 GLU C . 27148 2 136 . 2 1 17 17 GLU CA C 13 58.944 0.067 . 1 . . 485 . . 17 GLU CA . 27148 2 137 . 2 1 17 17 GLU CB C 13 30.049 0.056 . 1 . . 484 . . 17 GLU CB . 27148 2 138 . 2 1 17 17 GLU CG C 13 35.953 0.025 . 1 . . 1948 . . 17 GLU CG . 27148 2 139 . 2 1 17 17 GLU N N 15 119.190 0.006 . 1 . . 79 . . 17 GLU N . 27148 2 140 . 2 1 18 18 GLN H H 1 8.388 0.002 . 1 . . 223 . . 18 GLN H . 27148 2 141 . 2 1 18 18 GLN C C 13 176.827 . . 1 . . 756 . . 18 GLN C . 27148 2 142 . 2 1 18 18 GLN CA C 13 56.696 0.022 . 1 . . 482 . . 18 GLN CA . 27148 2 143 . 2 1 18 18 GLN CB C 13 29.167 0.039 . 1 . . 483 . . 18 GLN CB . 27148 2 144 . 2 1 18 18 GLN N N 15 114.906 0.009 . 1 . . 224 . . 18 GLN N . 27148 2 145 . 2 1 19 19 GLY H H 1 7.851 0.005 . 1 . . 30 . . 19 GLY H . 27148 2 146 . 2 1 19 19 GLY HA2 H 1 4.082 0.002 . 2 . . 1931 . . 19 GLY HA2 . 27148 2 147 . 2 1 19 19 GLY HA3 H 1 3.883 0.001 . 2 . . 1932 . . 19 GLY HA3 . 27148 2 148 . 2 1 19 19 GLY C C 13 174.161 . . 1 . . 747 . . 19 GLY C . 27148 2 149 . 2 1 19 19 GLY CA C 13 46.871 0.04 . 1 . . 549 . . 19 GLY CA . 27148 2 150 . 2 1 19 19 GLY N N 15 108.927 0.018 . 1 . . 31 . . 19 GLY N . 27148 2 151 . 2 1 20 20 PHE H H 1 7.897 0.003 . 1 . . 179 . . 20 PHE H . 27148 2 152 . 2 1 20 20 PHE HA H 1 5.034 0.006 . 1 . . 1926 . . 20 PHE HA . 27148 2 153 . 2 1 20 20 PHE HB2 H 1 2.825 0.002 . 2 . . 1927 . . 20 PHE HB2 . 27148 2 154 . 2 1 20 20 PHE HB3 H 1 3.049 0.01 . 2 . . 1930 . . 20 PHE HB3 . 27148 2 155 . 2 1 20 20 PHE C C 13 172.219 . . 1 . . 666 . . 20 PHE C . 27148 2 156 . 2 1 20 20 PHE CA C 13 54.940 0.085 . 1 . . 375 . . 20 PHE CA . 27148 2 157 . 2 1 20 20 PHE CB C 13 41.261 0.058 . 1 . . 374 . . 20 PHE CB . 27148 2 158 . 2 1 20 20 PHE N N 15 116.129 0.007 . 1 . . 180 . . 20 PHE N . 27148 2 159 . 2 1 21 21 ASN H H 1 9.103 0.01 . 1 . . 183 . . 21 ASN H . 27148 2 160 . 2 1 21 21 ASN HA H 1 5.032 0.007 . 1 . . 1070 . . 21 ASN HA . 27148 2 161 . 2 1 21 21 ASN HB2 H 1 2.737 0.017 . 2 . . 1071 . . 21 ASN HB2 . 27148 2 162 . 2 1 21 21 ASN HB3 H 1 2.762 0.011 . 2 . . 1923 . . 21 ASN HB3 . 27148 2 163 . 2 1 21 21 ASN HD21 H 1 6.894 0.006 . 1 . . 2172 . . 21 ASN HD21 . 27148 2 164 . 2 1 21 21 ASN HD22 H 1 7.521 0.005 . 1 . . 2174 . . 21 ASN HD22 . 27148 2 165 . 2 1 21 21 ASN C C 13 174.012 . . 1 . . 712 . . 21 ASN C . 27148 2 166 . 2 1 21 21 ASN CA C 13 51.833 0.085 . 1 . . 424 . . 21 ASN CA . 27148 2 167 . 2 1 21 21 ASN CB C 13 41.509 0.102 . 1 . . 1924 . . 21 ASN CB . 27148 2 168 . 2 1 21 21 ASN CG C 13 176.995 0.001 . 1 . . 2175 . . 21 ASN CG . 27148 2 169 . 2 1 21 21 ASN N N 15 117.247 0.035 . 1 . . 184 . . 21 ASN N . 27148 2 170 . 2 1 21 21 ASN ND2 N 15 114.322 0.031 . 1 . . 2173 . . 21 ASN ND2 . 27148 2 171 . 2 1 22 22 ILE H H 1 8.446 0.002 . 1 . . 82 . . 22 ILE H . 27148 2 172 . 2 1 22 22 ILE HA H 1 5.044 0.004 . 1 . . 1059 . . 22 ILE HA . 27148 2 173 . 2 1 22 22 ILE HB H 1 1.542 0.002 . 1 . . 1060 . . 22 ILE HB . 27148 2 174 . 2 1 22 22 ILE HG12 H 1 1.067 0.002 . 2 . . 1920 . . 22 ILE HG12 . 27148 2 175 . 2 1 22 22 ILE HG13 H 1 1.299 0.002 . 2 . . 1921 . . 22 ILE HG13 . 27148 2 176 . 2 1 22 22 ILE HG21 H 1 0.397 0.007 . 1 . . 1061 . . 22 ILE HG21 . 27148 2 177 . 2 1 22 22 ILE HG22 H 1 0.397 0.007 . 1 . . 1061 . . 22 ILE HG22 . 27148 2 178 . 2 1 22 22 ILE HG23 H 1 0.397 0.007 . 1 . . 1061 . . 22 ILE HG23 . 27148 2 179 . 2 1 22 22 ILE HD11 H 1 0.820 0.002 . 1 . . 1919 . . 22 ILE HD11 . 27148 2 180 . 2 1 22 22 ILE HD12 H 1 0.820 0.002 . 1 . . 1919 . . 22 ILE HD12 . 27148 2 181 . 2 1 22 22 ILE HD13 H 1 0.820 0.002 . 1 . . 1919 . . 22 ILE HD13 . 27148 2 182 . 2 1 22 22 ILE C C 13 175.787 . . 1 . . 688 . . 22 ILE C . 27148 2 183 . 2 1 22 22 ILE CA C 13 59.570 0.105 . 1 . . 548 . . 22 ILE CA . 27148 2 184 . 2 1 22 22 ILE CB C 13 41.132 0.102 . 1 . . 596 . . 22 ILE CB . 27148 2 185 . 2 1 22 22 ILE CG1 C 13 27.995 0.038 . 1 . . 1056 . . 22 ILE CG1 . 27148 2 186 . 2 1 22 22 ILE CG2 C 13 18.306 0.025 . 1 . . 1057 . . 22 ILE CG2 . 27148 2 187 . 2 1 22 22 ILE CD1 C 13 15.648 0.009 . 1 . . 1058 . . 22 ILE CD1 . 27148 2 188 . 2 1 22 22 ILE N N 15 120.768 0.013 . 1 . . 83 . . 22 ILE N . 27148 2 189 . 2 1 23 23 THR H H 1 8.703 0.004 . 1 . . 42 . . 23 THR H . 27148 2 190 . 2 1 23 23 THR HA H 1 4.479 0.001 . 1 . . 1053 . . 23 THR HA . 27148 2 191 . 2 1 23 23 THR HB H 1 3.949 0.006 . 1 . . 1054 . . 23 THR HB . 27148 2 192 . 2 1 23 23 THR HG21 H 1 1.158 0.005 . 1 . . 1055 . . 23 THR HG21 . 27148 2 193 . 2 1 23 23 THR HG22 H 1 1.158 0.005 . 1 . . 1055 . . 23 THR HG22 . 27148 2 194 . 2 1 23 23 THR HG23 H 1 1.158 0.005 . 1 . . 1055 . . 23 THR HG23 . 27148 2 195 . 2 1 23 23 THR C C 13 172.497 . . 1 . . 674 . . 23 THR C . 27148 2 196 . 2 1 23 23 THR CA C 13 61.252 0.054 . 1 . . 409 . . 23 THR CA . 27148 2 197 . 2 1 23 23 THR CB C 13 71.224 0.047 . 1 . . 408 . . 23 THR CB . 27148 2 198 . 2 1 23 23 THR CG2 C 13 21.419 0.035 . 1 . . 1052 . . 23 THR CG2 . 27148 2 199 . 2 1 23 23 THR N N 15 123.605 0.019 . 1 . . 43 . . 23 THR N . 27148 2 200 . 2 1 24 24 TYR H H 1 8.920 0.007 . 1 . . 16 . . 24 TYR H . 27148 2 201 . 2 1 24 24 TYR HA H 1 5.077 0.002 . 1 . . 1042 . . 24 TYR HA . 27148 2 202 . 2 1 24 24 TYR HB2 H 1 2.740 0.001 . 2 . . 1043 . . 24 TYR HB2 . 27148 2 203 . 2 1 24 24 TYR HB3 H 1 2.559 0.002 . 2 . . 1044 . . 24 TYR HB3 . 27148 2 204 . 2 1 24 24 TYR C C 13 175.287 . . 1 . . 659 . . 24 TYR C . 27148 2 205 . 2 1 24 24 TYR CA C 13 58.243 0.082 . 1 . . 546 . . 24 TYR CA . 27148 2 206 . 2 1 24 24 TYR CB C 13 39.647 0.035 . 1 . . 547 . . 24 TYR CB . 27148 2 207 . 2 1 24 24 TYR N N 15 124.861 0.033 . 1 . . 17 . . 24 TYR N . 27148 2 208 . 2 1 25 25 LEU H H 1 9.409 0.004 . 1 . . 271 . . 25 LEU H . 27148 2 209 . 2 1 25 25 LEU HA H 1 4.663 0.002 . 1 . . 1908 . . 25 LEU HA . 27148 2 210 . 2 1 25 25 LEU HB2 H 1 1.621 0.007 . 2 . . 1909 . . 25 LEU HB2 . 27148 2 211 . 2 1 25 25 LEU HB3 H 1 1.698 0.005 . 2 . . 1910 . . 25 LEU HB3 . 27148 2 212 . 2 1 25 25 LEU HG H 1 1.484 0.004 . 1 . . 1911 . . 25 LEU HG . 27148 2 213 . 2 1 25 25 LEU HD11 H 1 0.840 0.007 . 2 . . 1912 . . 25 LEU HD11 . 27148 2 214 . 2 1 25 25 LEU HD12 H 1 0.840 0.007 . 2 . . 1912 . . 25 LEU HD12 . 27148 2 215 . 2 1 25 25 LEU HD13 H 1 0.840 0.007 . 2 . . 1912 . . 25 LEU HD13 . 27148 2 216 . 2 1 25 25 LEU HD21 H 1 0.899 0.003 . 2 . . 1913 . . 25 LEU HD21 . 27148 2 217 . 2 1 25 25 LEU HD22 H 1 0.899 0.003 . 2 . . 1913 . . 25 LEU HD22 . 27148 2 218 . 2 1 25 25 LEU HD23 H 1 0.899 0.003 . 2 . . 1913 . . 25 LEU HD23 . 27148 2 219 . 2 1 25 25 LEU C C 13 174.737 . . 1 . . 699 . . 25 LEU C . 27148 2 220 . 2 1 25 25 LEU CA C 13 53.621 0.059 . 1 . . 544 . . 25 LEU CA . 27148 2 221 . 2 1 25 25 LEU CB C 13 43.278 0.041 . 1 . . 545 . . 25 LEU CB . 27148 2 222 . 2 1 25 25 LEU CG C 13 26.931 0.023 . 1 . . 1914 . . 25 LEU CG . 27148 2 223 . 2 1 25 25 LEU CD1 C 13 24.576 0.076 . 2 . . 1915 . . 25 LEU CD1 . 27148 2 224 . 2 1 25 25 LEU CD2 C 13 24.664 0.095 . 2 . . 1916 . . 25 LEU CD2 . 27148 2 225 . 2 1 25 25 LEU N N 15 127.018 0.023 . 1 . . 272 . . 25 LEU N . 27148 2 226 . 2 1 26 26 ASP H H 1 8.540 0.002 . 1 . . 8 . . 26 ASP H . 27148 2 227 . 2 1 26 26 ASP HA H 1 4.762 0.002 . 1 . . 1028 . . 26 ASP HA . 27148 2 228 . 2 1 26 26 ASP HB2 H 1 2.816 0.01 . 2 . . 1029 . . 26 ASP HB2 . 27148 2 229 . 2 1 26 26 ASP HB3 H 1 2.556 0.005 . 2 . . 1030 . . 26 ASP HB3 . 27148 2 230 . 2 1 26 26 ASP C C 13 175.885 . . 1 . . 748 . . 26 ASP C . 27148 2 231 . 2 1 26 26 ASP CA C 13 55.002 0.073 . 1 . . 542 . . 26 ASP CA . 27148 2 232 . 2 1 26 26 ASP CB C 13 41.151 0.036 . 1 . . 543 . . 26 ASP CB . 27148 2 233 . 2 1 26 26 ASP N N 15 125.543 0.016 . 1 . . 9 . . 26 ASP N . 27148 2 234 . 2 1 27 27 ILE H H 1 7.899 0.004 . 1 . . 181 . . 27 ILE H . 27148 2 235 . 2 1 27 27 ILE HA H 1 4.294 0.003 . 1 . . 1025 . . 27 ILE HA . 27148 2 236 . 2 1 27 27 ILE HB H 1 1.996 0.004 . 1 . . 1024 . . 27 ILE HB . 27148 2 237 . 2 1 27 27 ILE HG12 H 1 1.345 0.003 . 2 . . 1026 . . 27 ILE HG12 . 27148 2 238 . 2 1 27 27 ILE HG13 H 1 1.453 0.004 . 2 . . 1900 . . 27 ILE HG13 . 27148 2 239 . 2 1 27 27 ILE HG21 H 1 1.135 0.002 . 1 . . 1027 . . 27 ILE HG21 . 27148 2 240 . 2 1 27 27 ILE HG22 H 1 1.135 0.002 . 1 . . 1027 . . 27 ILE HG22 . 27148 2 241 . 2 1 27 27 ILE HG23 H 1 1.135 0.002 . 1 . . 1027 . . 27 ILE HG23 . 27148 2 242 . 2 1 27 27 ILE HD11 H 1 0.852 0.002 . 1 . . 1899 . . 27 ILE HD11 . 27148 2 243 . 2 1 27 27 ILE HD12 H 1 0.852 0.002 . 1 . . 1899 . . 27 ILE HD12 . 27148 2 244 . 2 1 27 27 ILE HD13 H 1 0.852 0.002 . 1 . . 1899 . . 27 ILE HD13 . 27148 2 245 . 2 1 27 27 ILE C C 13 176.286 . . 1 . . 681 . . 27 ILE C . 27148 2 246 . 2 1 27 27 ILE CA C 13 59.813 0.11 . 1 . . 597 . . 27 ILE CA . 27148 2 247 . 2 1 27 27 ILE CB C 13 38.123 0.053 . 1 . . 570 . . 27 ILE CB . 27148 2 248 . 2 1 27 27 ILE CG1 C 13 27.332 0.126 . 1 . . 1016 . . 27 ILE CG1 . 27148 2 249 . 2 1 27 27 ILE CG2 C 13 17.500 0.014 . 1 . . 1020 . . 27 ILE CG2 . 27148 2 250 . 2 1 27 27 ILE CD1 C 13 11.738 0.016 . 1 . . 1017 . . 27 ILE CD1 . 27148 2 251 . 2 1 27 27 ILE N N 15 124.796 0.027 . 1 . . 182 . . 27 ILE N . 27148 2 252 . 2 1 28 28 ASP H H 1 8.754 0.005 . 1 . . 172 . . 28 ASP H . 27148 2 253 . 2 1 28 28 ASP HA H 1 4.525 0.002 . 1 . . 1013 . . 28 ASP HA . 27148 2 254 . 2 1 28 28 ASP HB2 H 1 2.705 0.008 . 2 . . 1012 . . 28 ASP HB2 . 27148 2 255 . 2 1 28 28 ASP HB3 H 1 2.724 0.007 . 2 . . 2148 . . 28 ASP HB3 . 27148 2 256 . 2 1 28 28 ASP C C 13 176.630 . . 1 . . 741 . . 28 ASP C . 27148 2 257 . 2 1 28 28 ASP CA C 13 56.225 0.141 . 1 . . 565 . . 28 ASP CA . 27148 2 258 . 2 1 28 28 ASP CB C 13 41.004 0.061 . 1 . . 364 . . 28 ASP CB . 27148 2 259 . 2 1 28 28 ASP N N 15 127.535 0.056 . 1 . . 173 . . 28 ASP N . 27148 2 260 . 2 1 29 29 GLU H H 1 7.995 0.006 . 1 . . 185 . . 29 GLU H . 27148 2 261 . 2 1 29 29 GLU HA H 1 4.244 0.001 . 1 . . 1007 . . 29 GLU HA . 27148 2 262 . 2 1 29 29 GLU HB2 H 1 1.864 0.001 . 1 . . 1009 . . 29 GLU HB2 . 27148 2 263 . 2 1 29 29 GLU HG2 H 1 2.222 0.005 . 2 . . 1008 . . 29 GLU HG2 . 27148 2 264 . 2 1 29 29 GLU HG3 H 1 2.309 0.005 . 2 . . 1895 . . 29 GLU HG3 . 27148 2 265 . 2 1 29 29 GLU C C 13 177.222 . . 1 . . 703 . . 29 GLU C . 27148 2 266 . 2 1 29 29 GLU CA C 13 57.008 0.105 . 1 . . 564 . . 29 GLU CA . 27148 2 267 . 2 1 29 29 GLU CB C 13 30.310 0.029 . 1 . . 563 . . 29 GLU CB . 27148 2 268 . 2 1 29 29 GLU CG C 13 35.999 0.045 . 1 . . 1006 . . 29 GLU CG . 27148 2 269 . 2 1 29 29 GLU N N 15 119.860 0.004 . 1 . . 186 . . 29 GLU N . 27148 2 270 . 2 1 30 30 LEU H H 1 8.494 0.004 . 1 . . 164 . . 30 LEU H . 27148 2 271 . 2 1 30 30 LEU HA H 1 4.432 0.003 . 1 . . 998 . . 30 LEU HA . 27148 2 272 . 2 1 30 30 LEU HB2 H 1 1.237 0.007 . 2 . . 1890 . . 30 LEU HB2 . 27148 2 273 . 2 1 30 30 LEU HB3 H 1 1.622 0.009 . 2 . . 1891 . . 30 LEU HB3 . 27148 2 274 . 2 1 30 30 LEU HG H 1 1.470 0.005 . 1 . . 1892 . . 30 LEU HG . 27148 2 275 . 2 1 30 30 LEU HD11 H 1 0.208 0.004 . 2 . . 1893 . . 30 LEU HD11 . 27148 2 276 . 2 1 30 30 LEU HD12 H 1 0.208 0.004 . 2 . . 1893 . . 30 LEU HD12 . 27148 2 277 . 2 1 30 30 LEU HD13 H 1 0.208 0.004 . 2 . . 1893 . . 30 LEU HD13 . 27148 2 278 . 2 1 30 30 LEU HD21 H 1 0.678 0.006 . 2 . . 1894 . . 30 LEU HD21 . 27148 2 279 . 2 1 30 30 LEU HD22 H 1 0.678 0.006 . 2 . . 1894 . . 30 LEU HD22 . 27148 2 280 . 2 1 30 30 LEU HD23 H 1 0.678 0.006 . 2 . . 1894 . . 30 LEU HD23 . 27148 2 281 . 2 1 30 30 LEU C C 13 178.166 . . 1 . . 664 . . 30 LEU C . 27148 2 282 . 2 1 30 30 LEU CA C 13 54.606 0.053 . 1 . . 562 . . 30 LEU CA . 27148 2 283 . 2 1 30 30 LEU CB C 13 42.507 0.053 . 1 . . 561 . . 30 LEU CB . 27148 2 284 . 2 1 30 30 LEU CG C 13 26.959 0.066 . 1 . . 999 . . 30 LEU CG . 27148 2 285 . 2 1 30 30 LEU CD1 C 13 21.789 0.064 . 2 . . 1730 . . 30 LEU CD1 . 27148 2 286 . 2 1 30 30 LEU CD2 C 13 24.990 0.034 . 2 . . 1000 . . 30 LEU CD2 . 27148 2 287 . 2 1 30 30 LEU N N 15 125.647 0.02 . 1 . . 165 . . 30 LEU N . 27148 2 288 . 2 1 31 31 SER H H 1 9.172 0.017 . 1 . . 14 . . 31 SER H . 27148 2 289 . 2 1 31 31 SER HA H 1 4.355 0.002 . 1 . . 2087 . . 31 SER HA . 27148 2 290 . 2 1 31 31 SER HB2 H 1 3.744 0.002 . 2 . . 2088 . . 31 SER HB2 . 27148 2 291 . 2 1 31 31 SER HB3 H 1 4.246 0.005 . 2 . . 2089 . . 31 SER HB3 . 27148 2 292 . 2 1 31 31 SER C C 13 175.727 . . 1 . . 678 . . 31 SER C . 27148 2 293 . 2 1 31 31 SER CA C 13 57.955 0.057 . 1 . . 559 . . 31 SER CA . 27148 2 294 . 2 1 31 31 SER CB C 13 64.667 0.059 . 1 . . 560 . . 31 SER CB . 27148 2 295 . 2 1 31 31 SER N N 15 116.140 0.022 . 1 . . 15 . . 31 SER N . 27148 2 296 . 2 1 32 32 ALA H H 1 8.810 0.011 . 1 . . 225 . . 32 ALA H . 27148 2 297 . 2 1 32 32 ALA HA H 1 4.188 0.002 . 1 . . 1887 . . 32 ALA HA . 27148 2 298 . 2 1 32 32 ALA HB1 H 1 1.416 0.001 . 1 . . 1888 . . 32 ALA HB1 . 27148 2 299 . 2 1 32 32 ALA HB2 H 1 1.416 0.001 . 1 . . 1888 . . 32 ALA HB2 . 27148 2 300 . 2 1 32 32 ALA HB3 H 1 1.416 0.001 . 1 . . 1888 . . 32 ALA HB3 . 27148 2 301 . 2 1 32 32 ALA C C 13 177.765 . . 1 . . 755 . . 32 ALA C . 27148 2 302 . 2 1 32 32 ALA CA C 13 54.547 0.068 . 1 . . 558 . . 32 ALA CA . 27148 2 303 . 2 1 32 32 ALA CB C 13 18.322 0.022 . 1 . . 557 . . 32 ALA CB . 27148 2 304 . 2 1 32 32 ALA N N 15 124.404 0.037 . 1 . . 226 . . 32 ALA N . 27148 2 305 . 2 1 33 33 ASN H H 1 7.872 0.004 . 1 . . 497 . . 33 ASN H . 27148 2 306 . 2 1 33 33 ASN HA H 1 4.823 0.001 . 1 . . 1882 . . 33 ASN HA . 27148 2 307 . 2 1 33 33 ASN HB2 H 1 2.905 0.013 . 2 . . 1883 . . 33 ASN HB2 . 27148 2 308 . 2 1 33 33 ASN HB3 H 1 2.880 0.012 . 2 . . 1884 . . 33 ASN HB3 . 27148 2 309 . 2 1 33 33 ASN C C 13 175.779 . . 1 . . 732 . . 33 ASN C . 27148 2 310 . 2 1 33 33 ASN CA C 13 52.137 0.024 . 1 . . 556 . . 33 ASN CA . 27148 2 311 . 2 1 33 33 ASN CB C 13 37.879 0.029 . 1 . . 555 . . 33 ASN CB . 27148 2 312 . 2 1 33 33 ASN N N 15 112.990 0.007 . 1 . . 498 . . 33 ASN N . 27148 2 313 . 2 1 34 34 GLY H H 1 8.149 0.004 . 1 . . 294 . . 34 GLY H . 27148 2 314 . 2 1 34 34 GLY HA2 H 1 4.090 . . 2 . . 2156 . . 34 GLY HA2 . 27148 2 315 . 2 1 34 34 GLY HA3 H 1 3.617 0.007 . 2 . . 2157 . . 34 GLY HA3 . 27148 2 316 . 2 1 34 34 GLY CA C 13 46.160 0.044 . 1 . . 2155 . . 34 GLY CA . 27148 2 317 . 2 1 34 34 GLY N N 15 108.179 0.007 . 1 . . 295 . . 34 GLY N . 27148 2 318 . 2 1 35 35 GLN C C 13 175.769 . . 1 . . 704 . . 35 GLN C . 27148 2 319 . 2 1 35 35 GLN CA C 13 55.461 0.051 . 1 . . 602 . . 35 GLN CA . 27148 2 320 . 2 1 35 35 GLN CB C 13 29.952 . . 1 . . 601 . . 35 GLN CB . 27148 2 321 . 2 1 36 36 TYR H H 1 8.506 0.003 . 1 . . 4 . . 36 TYR H . 27148 2 322 . 2 1 36 36 TYR HA H 1 4.508 0.003 . 1 . . 988 . . 36 TYR HA . 27148 2 323 . 2 1 36 36 TYR HB2 H 1 3.016 0.009 . 2 . . 989 . . 36 TYR HB2 . 27148 2 324 . 2 1 36 36 TYR HB3 H 1 2.431 0.005 . 2 . . 990 . . 36 TYR HB3 . 27148 2 325 . 2 1 36 36 TYR C C 13 175.982 . . 1 . . 656 . . 36 TYR C . 27148 2 326 . 2 1 36 36 TYR CA C 13 58.868 0.06 . 1 . . 349 . . 36 TYR CA . 27148 2 327 . 2 1 36 36 TYR CB C 13 39.067 0.091 . 1 . . 348 . . 36 TYR CB . 27148 2 328 . 2 1 36 36 TYR N N 15 121.298 0.008 . 1 . . 5 . . 36 TYR N . 27148 2 329 . 2 1 37 37 GLN H H 1 9.477 0.013 . 1 . . 252 . . 37 GLN H . 27148 2 330 . 2 1 37 37 GLN HA H 1 5.356 0.006 . 1 . . 981 . . 37 GLN HA . 27148 2 331 . 2 1 37 37 GLN HB2 H 1 1.981 0.009 . 2 . . 1868 . . 37 GLN HB2 . 27148 2 332 . 2 1 37 37 GLN HB3 H 1 2.067 0.007 . 2 . . 1869 . . 37 GLN HB3 . 27148 2 333 . 2 1 37 37 GLN HG2 H 1 2.516 0.002 . 2 . . 1221 . . 37 GLN HG2 . 27148 2 334 . 2 1 37 37 GLN HG3 H 1 2.167 0.003 . 2 . . 1317 . . 37 GLN HG3 . 27148 2 335 . 2 1 37 37 GLN C C 13 174.249 . . 1 . . 683 . . 37 GLN C . 27148 2 336 . 2 1 37 37 GLN CA C 13 54.184 0.047 . 1 . . 370 . . 37 GLN CA . 27148 2 337 . 2 1 37 37 GLN CB C 13 34.185 0.058 . 1 . . 371 . . 37 GLN CB . 27148 2 338 . 2 1 37 37 GLN CG C 13 35.372 0.016 . 1 . . 980 . . 37 GLN CG . 27148 2 339 . 2 1 37 37 GLN N N 15 117.273 0.063 . 1 . . 253 . . 37 GLN N . 27148 2 340 . 2 1 38 38 CYS H H 1 8.738 0.005 . 1 . . 202 . . 38 CYS H . 27148 2 341 . 2 1 38 38 CYS HA H 1 5.117 0.003 . 1 . . 977 . . 38 CYS HA . 27148 2 342 . 2 1 38 38 CYS HB2 H 1 3.276 0.002 . 2 . . 978 . . 38 CYS HB2 . 27148 2 343 . 2 1 38 38 CYS HB3 H 1 2.208 0.009 . 2 . . 979 . . 38 CYS HB3 . 27148 2 344 . 2 1 38 38 CYS C C 13 171.726 . . 1 . . 677 . . 38 CYS C . 27148 2 345 . 2 1 38 38 CYS CA C 13 56.829 0.087 . 1 . . 369 . . 38 CYS CA . 27148 2 346 . 2 1 38 38 CYS CB C 13 30.421 0.018 . 1 . . 603 . . 38 CYS CB . 27148 2 347 . 2 1 38 38 CYS N N 15 122.382 0.084 . 1 . . 203 . . 38 CYS N . 27148 2 348 . 2 1 39 39 LEU H H 1 8.887 0.003 . 1 . . 292 . . 39 LEU H . 27148 2 349 . 2 1 39 39 LEU HA H 1 5.072 0.004 . 1 . . 967 . . 39 LEU HA . 27148 2 350 . 2 1 39 39 LEU HB2 H 1 1.925 0.003 . 2 . . 968 . . 39 LEU HB2 . 27148 2 351 . 2 1 39 39 LEU HB3 H 1 1.199 0.006 . 2 . . 970 . . 39 LEU HB3 . 27148 2 352 . 2 1 39 39 LEU HG H 1 1.754 0.004 . 1 . . 1864 . . 39 LEU HG . 27148 2 353 . 2 1 39 39 LEU HD11 H 1 0.982 0.006 . 2 . . 1354 . . 39 LEU HD11 . 27148 2 354 . 2 1 39 39 LEU HD12 H 1 0.982 0.006 . 2 . . 1354 . . 39 LEU HD12 . 27148 2 355 . 2 1 39 39 LEU HD13 H 1 0.982 0.006 . 2 . . 1354 . . 39 LEU HD13 . 27148 2 356 . 2 1 39 39 LEU HD21 H 1 0.834 0.002 . 2 . . 1863 . . 39 LEU HD21 . 27148 2 357 . 2 1 39 39 LEU HD22 H 1 0.834 0.002 . 2 . . 1863 . . 39 LEU HD22 . 27148 2 358 . 2 1 39 39 LEU HD23 H 1 0.834 0.002 . 2 . . 1863 . . 39 LEU HD23 . 27148 2 359 . 2 1 39 39 LEU C C 13 175.229 . . 1 . . 665 . . 39 LEU C . 27148 2 360 . 2 1 39 39 LEU CA C 13 52.859 0.044 . 1 . . 367 . . 39 LEU CA . 27148 2 361 . 2 1 39 39 LEU CB C 13 43.973 0.07 . 1 . . 368 . . 39 LEU CB . 27148 2 362 . 2 1 39 39 LEU CG C 13 26.639 0.02 . 1 . . 1866 . . 39 LEU CG . 27148 2 363 . 2 1 39 39 LEU CD1 C 13 25.263 0.096 . 2 . . 1355 . . 39 LEU CD1 . 27148 2 364 . 2 1 39 39 LEU CD2 C 13 22.811 0.028 . 2 . . 1865 . . 39 LEU CD2 . 27148 2 365 . 2 1 39 39 LEU N N 15 124.433 0.034 . 1 . . 293 . . 39 LEU N . 27148 2 366 . 2 1 40 40 ALA H H 1 9.120 0.005 . 1 . . 282 . . 40 ALA H . 27148 2 367 . 2 1 40 40 ALA HA H 1 4.615 0.009 . 1 . . 958 . . 40 ALA HA . 27148 2 368 . 2 1 40 40 ALA HB1 H 1 0.951 0.001 . 1 . . 959 . . 40 ALA HB1 . 27148 2 369 . 2 1 40 40 ALA HB2 H 1 0.951 0.001 . 1 . . 959 . . 40 ALA HB2 . 27148 2 370 . 2 1 40 40 ALA HB3 H 1 0.951 0.001 . 1 . . 959 . . 40 ALA HB3 . 27148 2 371 . 2 1 40 40 ALA C C 13 174.836 . . 1 . . 663 . . 40 ALA C . 27148 2 372 . 2 1 40 40 ALA CA C 13 50.282 0.086 . 1 . . 366 . . 40 ALA CA . 27148 2 373 . 2 1 40 40 ALA CB C 13 18.872 0.029 . 1 . . 365 . . 40 ALA CB . 27148 2 374 . 2 1 40 40 ALA N N 15 125.922 0.034 . 1 . . 283 . . 40 ALA N . 27148 2 375 . 2 1 41 41 GLU H H 1 9.191 0.005 . 1 . . 60 . . 41 GLU H . 27148 2 376 . 2 1 41 41 GLU HA H 1 4.821 0.004 . 1 . . 956 . . 41 GLU HA . 27148 2 377 . 2 1 41 41 GLU HB2 H 1 2.022 0.004 . 2 . . 1288 . . 41 GLU HB2 . 27148 2 378 . 2 1 41 41 GLU HB3 H 1 1.815 0.002 . 2 . . 1859 . . 41 GLU HB3 . 27148 2 379 . 2 1 41 41 GLU HG2 H 1 1.749 0.006 . 2 . . 1857 . . 41 GLU HG2 . 27148 2 380 . 2 1 41 41 GLU HG3 H 1 1.948 0.006 . 2 . . 1858 . . 41 GLU HG3 . 27148 2 381 . 2 1 41 41 GLU C C 13 174.947 . . 1 . . 653 . . 41 GLU C . 27148 2 382 . 2 1 41 41 GLU CA C 13 55.228 0.1 . 1 . . 554 . . 41 GLU CA . 27148 2 383 . 2 1 41 41 GLU CB C 13 31.106 0.077 . 1 . . 553 . . 41 GLU CB . 27148 2 384 . 2 1 41 41 GLU CG C 13 36.446 0.042 . 1 . . 1856 . . 41 GLU CG . 27148 2 385 . 2 1 41 41 GLU N N 15 125.344 0.053 . 1 . . 61 . . 41 GLU N . 27148 2 386 . 2 1 42 42 LEU H H 1 9.590 0.007 . 1 . . 244 . . 42 LEU H . 27148 2 387 . 2 1 42 42 LEU HA H 1 5.239 0.005 . 1 . . 947 . . 42 LEU HA . 27148 2 388 . 2 1 42 42 LEU HB2 H 1 1.809 0.001 . 2 . . 950 . . 42 LEU HB2 . 27148 2 389 . 2 1 42 42 LEU HB3 H 1 1.062 0.004 . 2 . . 951 . . 42 LEU HB3 . 27148 2 390 . 2 1 42 42 LEU HG H 1 1.714 0.004 . 1 . . 1854 . . 42 LEU HG . 27148 2 391 . 2 1 42 42 LEU HD11 H 1 0.697 0.0 . 1 . . 948 . . 42 LEU HD11 . 27148 2 392 . 2 1 42 42 LEU HD12 H 1 0.697 0.0 . 1 . . 948 . . 42 LEU HD12 . 27148 2 393 . 2 1 42 42 LEU HD13 H 1 0.697 0.0 . 1 . . 948 . . 42 LEU HD13 . 27148 2 394 . 2 1 42 42 LEU C C 13 178.099 . . 1 . . 676 . . 42 LEU C . 27148 2 395 . 2 1 42 42 LEU CA C 13 52.977 0.065 . 1 . . 552 . . 42 LEU CA . 27148 2 396 . 2 1 42 42 LEU CB C 13 43.074 0.049 . 1 . . 551 . . 42 LEU CB . 27148 2 397 . 2 1 42 42 LEU CG C 13 27.978 0.088 . 1 . . 949 . . 42 LEU CG . 27148 2 398 . 2 1 42 42 LEU CD1 C 13 24.649 0.029 . 1 . . 1607 . . 42 LEU CD1 . 27148 2 399 . 2 1 42 42 LEU N N 15 128.539 0.026 . 1 . . 245 . . 42 LEU N . 27148 2 400 . 2 1 43 43 SER H H 1 8.901 0.005 . 1 . . 146 . . 43 SER H . 27148 2 401 . 2 1 43 43 SER HA H 1 4.745 0.007 . 1 . . 2130 . . 43 SER HA . 27148 2 402 . 2 1 43 43 SER HB2 H 1 3.887 0.002 . 2 . . 2131 . . 43 SER HB2 . 27148 2 403 . 2 1 43 43 SER HB3 H 1 4.444 0.003 . 2 . . 2132 . . 43 SER HB3 . 27148 2 404 . 2 1 43 43 SER CA C 13 57.857 0.03 . 1 . . 604 . . 43 SER CA . 27148 2 405 . 2 1 43 43 SER CB C 13 62.470 0.038 . 1 . . 605 . . 43 SER CB . 27148 2 406 . 2 1 43 43 SER N N 15 121.006 0.015 . 1 . . 147 . . 43 SER N . 27148 2 407 . 2 1 44 44 THR HA H 1 4.016 0.002 . 1 . . 1845 . . 44 THR HA . 27148 2 408 . 2 1 44 44 THR HB H 1 4.143 0.003 . 1 . . 1846 . . 44 THR HB . 27148 2 409 . 2 1 44 44 THR HG21 H 1 0.410 0.007 . 1 . . 939 . . 44 THR HG21 . 27148 2 410 . 2 1 44 44 THR HG22 H 1 0.410 0.007 . 1 . . 939 . . 44 THR HG22 . 27148 2 411 . 2 1 44 44 THR HG23 H 1 0.410 0.007 . 1 . . 939 . . 44 THR HG23 . 27148 2 412 . 2 1 44 44 THR C C 13 172.715 . . 1 . . 726 . . 44 THR C . 27148 2 413 . 2 1 44 44 THR CA C 13 61.629 0.09 . 1 . . 610 . . 44 THR CA . 27148 2 414 . 2 1 44 44 THR CB C 13 70.535 0.091 . 1 . . 609 . . 44 THR CB . 27148 2 415 . 2 1 44 44 THR CG2 C 13 20.959 0.059 . 1 . . 938 . . 44 THR CG2 . 27148 2 416 . 2 1 45 45 SER H H 1 8.239 0.004 . 1 . . 135 . . 45 SER H . 27148 2 417 . 2 1 45 45 SER HA H 1 4.715 0.001 . 1 . . 2085 . . 45 SER HA . 27148 2 418 . 2 1 45 45 SER HB2 H 1 3.649 0.007 . 2 . . 2083 . . 45 SER HB2 . 27148 2 419 . 2 1 45 45 SER HB3 H 1 3.813 0.005 . 2 . . 2084 . . 45 SER HB3 . 27148 2 420 . 2 1 45 45 SER CA C 13 54.282 0.032 . 1 . . 612 . . 45 SER CA . 27148 2 421 . 2 1 45 45 SER CB C 13 64.094 0.042 . 1 . . 611 . . 45 SER CB . 27148 2 422 . 2 1 45 45 SER N N 15 112.443 0.006 . 1 . . 136 . . 45 SER N . 27148 2 423 . 2 1 46 46 PRO HA H 1 4.903 0.005 . 1 . . 931 . . 46 PRO HA . 27148 2 424 . 2 1 46 46 PRO HB2 H 1 2.451 0.005 . 2 . . 932 . . 46 PRO HB2 . 27148 2 425 . 2 1 46 46 PRO HB3 H 1 2.147 0.005 . 2 . . 1109 . . 46 PRO HB3 . 27148 2 426 . 2 1 46 46 PRO HG2 H 1 1.806 0.003 . 2 . . 1446 . . 46 PRO HG2 . 27148 2 427 . 2 1 46 46 PRO HG3 H 1 1.927 0.002 . 2 . . 1515 . . 46 PRO HG3 . 27148 2 428 . 2 1 46 46 PRO HD2 H 1 3.485 0.007 . 2 . . 1843 . . 46 PRO HD2 . 27148 2 429 . 2 1 46 46 PRO HD3 H 1 3.516 0.017 . 2 . . 1844 . . 46 PRO HD3 . 27148 2 430 . 2 1 46 46 PRO C C 13 176.655 . . 1 . . 711 . . 46 PRO C . 27148 2 431 . 2 1 46 46 PRO CA C 13 63.171 0.057 . 1 . . 616 . . 46 PRO CA . 27148 2 432 . 2 1 46 46 PRO CB C 13 34.711 0.055 . 1 . . 617 . . 46 PRO CB . 27148 2 433 . 2 1 46 46 PRO CG C 13 25.210 0.036 . 1 . . 930 . . 46 PRO CG . 27148 2 434 . 2 1 46 46 PRO CD C 13 50.076 0.018 . 1 . . 929 . . 46 PRO CD . 27148 2 435 . 2 1 47 47 ILE H H 1 8.444 0.003 . 1 . . 278 . . 47 ILE H . 27148 2 436 . 2 1 47 47 ILE HA H 1 3.919 0.003 . 1 . . 2111 . . 47 ILE HA . 27148 2 437 . 2 1 47 47 ILE HB H 1 1.634 0.004 . 1 . . 2112 . . 47 ILE HB . 27148 2 438 . 2 1 47 47 ILE HG12 H 1 1.248 0.003 . 2 . . 2113 . . 47 ILE HG12 . 27148 2 439 . 2 1 47 47 ILE HG13 H 1 1.831 0.005 . 2 . . 2115 . . 47 ILE HG13 . 27148 2 440 . 2 1 47 47 ILE HG21 H 1 0.910 0.002 . 1 . . 2116 . . 47 ILE HG21 . 27148 2 441 . 2 1 47 47 ILE HG22 H 1 0.910 0.002 . 1 . . 2116 . . 47 ILE HG22 . 27148 2 442 . 2 1 47 47 ILE HG23 H 1 0.910 0.002 . 1 . . 2116 . . 47 ILE HG23 . 27148 2 443 . 2 1 47 47 ILE HD11 H 1 0.912 0.005 . 1 . . 2117 . . 47 ILE HD11 . 27148 2 444 . 2 1 47 47 ILE HD12 H 1 0.912 0.005 . 1 . . 2117 . . 47 ILE HD12 . 27148 2 445 . 2 1 47 47 ILE HD13 H 1 0.912 0.005 . 1 . . 2117 . . 47 ILE HD13 . 27148 2 446 . 2 1 47 47 ILE CA C 13 63.345 0.043 . 1 . . 535 . . 47 ILE CA . 27148 2 447 . 2 1 47 47 ILE CB C 13 38.612 0.054 . 1 . . 613 . . 47 ILE CB . 27148 2 448 . 2 1 47 47 ILE CG1 C 13 29.003 0.034 . 1 . . 2114 . . 47 ILE CG1 . 27148 2 449 . 2 1 47 47 ILE CG2 C 13 17.273 0.093 . 1 . . 1285 . . 47 ILE CG2 . 27148 2 450 . 2 1 47 47 ILE CD1 C 13 13.043 0.049 . 1 . . 2118 . . 47 ILE CD1 . 27148 2 451 . 2 1 47 47 ILE N N 15 124.638 0.036 . 1 . . 279 . . 47 ILE N . 27148 2 452 . 2 1 48 48 THR H H 1 7.723 0.001 . 1 . . 320 . . 48 THR H . 27148 2 453 . 2 1 48 48 THR HA H 1 4.807 0.007 . 1 . . 1095 . . 48 THR HA . 27148 2 454 . 2 1 48 48 THR HB H 1 3.662 0.005 . 1 . . 1268 . . 48 THR HB . 27148 2 455 . 2 1 48 48 THR HG21 H 1 0.870 0.001 . 1 . . 839 . . 48 THR HG21 . 27148 2 456 . 2 1 48 48 THR HG22 H 1 0.870 0.001 . 1 . . 839 . . 48 THR HG22 . 27148 2 457 . 2 1 48 48 THR HG23 H 1 0.870 0.001 . 1 . . 839 . . 48 THR HG23 . 27148 2 458 . 2 1 48 48 THR C C 13 172.214 . . 1 . . 660 . . 48 THR C . 27148 2 459 . 2 1 48 48 THR CA C 13 62.009 0.09 . 1 . . 359 . . 48 THR CA . 27148 2 460 . 2 1 48 48 THR CB C 13 72.561 0.049 . 1 . . 358 . . 48 THR CB . 27148 2 461 . 2 1 48 48 THR CG2 C 13 21.458 0.054 . 1 . . 836 . . 48 THR CG2 . 27148 2 462 . 2 1 48 48 THR N N 15 121.563 0.021 . 1 . . 321 . . 48 THR N . 27148 2 463 . 2 1 49 49 VAL H H 1 9.361 0.004 . 1 . . 40 . . 49 VAL H . 27148 2 464 . 2 1 49 49 VAL HA H 1 5.053 0.004 . 1 . . 815 . . 49 VAL HA . 27148 2 465 . 2 1 49 49 VAL HB H 1 1.965 0.002 . 1 . . 816 . . 49 VAL HB . 27148 2 466 . 2 1 49 49 VAL HG11 H 1 0.817 0.001 . 2 . . 818 . . 49 VAL HG11 . 27148 2 467 . 2 1 49 49 VAL HG12 H 1 0.817 0.001 . 2 . . 818 . . 49 VAL HG12 . 27148 2 468 . 2 1 49 49 VAL HG13 H 1 0.817 0.001 . 2 . . 818 . . 49 VAL HG13 . 27148 2 469 . 2 1 49 49 VAL HG21 H 1 0.877 0.001 . 2 . . 819 . . 49 VAL HG21 . 27148 2 470 . 2 1 49 49 VAL HG22 H 1 0.877 0.001 . 2 . . 819 . . 49 VAL HG22 . 27148 2 471 . 2 1 49 49 VAL HG23 H 1 0.877 0.001 . 2 . . 819 . . 49 VAL HG23 . 27148 2 472 . 2 1 49 49 VAL C C 13 174.204 . . 1 . . 671 . . 49 VAL C . 27148 2 473 . 2 1 49 49 VAL CA C 13 59.930 0.095 . 1 . . 381 . . 49 VAL CA . 27148 2 474 . 2 1 49 49 VAL CB C 13 33.699 0.033 . 1 . . 380 . . 49 VAL CB . 27148 2 475 . 2 1 49 49 VAL CG1 C 13 22.349 0.022 . 2 . . 817 . . 49 VAL CG1 . 27148 2 476 . 2 1 49 49 VAL CG2 C 13 20.948 0.024 . 2 . . 820 . . 49 VAL CG2 . 27148 2 477 . 2 1 49 49 VAL N N 15 123.678 0.031 . 1 . . 41 . . 49 VAL N . 27148 2 478 . 2 1 50 50 CYS H H 1 8.982 0.004 . 1 . . 152 . . 50 CYS H . 27148 2 479 . 2 1 50 50 CYS HA H 1 5.170 0.002 . 1 . . 827 . . 50 CYS HA . 27148 2 480 . 2 1 50 50 CYS HB2 H 1 2.775 0.006 . 2 . . 828 . . 50 CYS HB2 . 27148 2 481 . 2 1 50 50 CYS HB3 H 1 2.636 0.002 . 2 . . 829 . . 50 CYS HB3 . 27148 2 482 . 2 1 50 50 CYS C C 13 173.605 . . 1 . . 708 . . 50 CYS C . 27148 2 483 . 2 1 50 50 CYS CA C 13 56.962 0.071 . 1 . . 469 . . 50 CYS CA . 27148 2 484 . 2 1 50 50 CYS CB C 13 29.650 0.057 . 1 . . 619 . . 50 CYS CB . 27148 2 485 . 2 1 50 50 CYS N N 15 122.222 0.015 . 1 . . 153 . . 50 CYS N . 27148 2 486 . 2 1 51 51 HIS H H 1 8.463 0.004 . 1 . . 84 . . 51 HIS H . 27148 2 487 . 2 1 51 51 HIS HA H 1 4.961 0.005 . 1 . . 821 . . 51 HIS HA . 27148 2 488 . 2 1 51 51 HIS HB2 H 1 2.640 0.009 . 2 . . 822 . . 51 HIS HB2 . 27148 2 489 . 2 1 51 51 HIS HB3 H 1 3.175 0.003 . 2 . . 823 . . 51 HIS HB3 . 27148 2 490 . 2 1 51 51 HIS C C 13 174.744 . . 1 . . 695 . . 51 HIS C . 27148 2 491 . 2 1 51 51 HIS CA C 13 57.151 0.122 . 1 . . 534 . . 51 HIS CA . 27148 2 492 . 2 1 51 51 HIS CB C 13 34.139 0.034 . 1 . . 533 . . 51 HIS CB . 27148 2 493 . 2 1 51 51 HIS N N 15 126.000 0.024 . 1 . . 85 . . 51 HIS N . 27148 2 494 . 2 1 52 52 GLY H H 1 8.596 0.002 . 1 . . 298 . . 52 GLY H . 27148 2 495 . 2 1 52 52 GLY HA2 H 1 3.631 0.002 . 2 . . 1836 . . 52 GLY HA2 . 27148 2 496 . 2 1 52 52 GLY HA3 H 1 4.477 0.004 . 2 . . 1837 . . 52 GLY HA3 . 27148 2 497 . 2 1 52 52 GLY C C 13 170.997 . . 1 . . 657 . . 52 GLY C . 27148 2 498 . 2 1 52 52 GLY CA C 13 44.611 0.051 . 1 . . 337 . . 52 GLY CA . 27148 2 499 . 2 1 52 52 GLY N N 15 115.153 0.008 . 1 . . 299 . . 52 GLY N . 27148 2 500 . 2 1 53 53 SER H H 1 9.479 0.006 . 1 . . 104 . . 53 SER H . 27148 2 501 . 2 1 53 53 SER HA H 1 5.759 0.004 . 1 . . 832 . . 53 SER HA . 27148 2 502 . 2 1 53 53 SER HB2 H 1 3.773 0.002 . 2 . . 833 . . 53 SER HB2 . 27148 2 503 . 2 1 53 53 SER HB3 H 1 3.848 0.002 . 2 . . 2149 . . 53 SER HB3 . 27148 2 504 . 2 1 53 53 SER C C 13 173.776 . . 1 . . 686 . . 53 SER C . 27148 2 505 . 2 1 53 53 SER CA C 13 56.790 0.076 . 1 . . 334 . . 53 SER CA . 27148 2 506 . 2 1 53 53 SER CB C 13 67.170 0.081 . 1 . . 335 . . 53 SER CB . 27148 2 507 . 2 1 53 53 SER N N 15 112.913 0.03 . 1 . . 105 . . 53 SER N . 27148 2 508 . 2 1 54 54 GLY H H 1 8.719 0.004 . 1 . . 108 . . 54 GLY H . 27148 2 509 . 2 1 54 54 GLY HA2 H 1 3.884 0.004 . 2 . . 1834 . . 54 GLY HA2 . 27148 2 510 . 2 1 54 54 GLY HA3 H 1 4.423 0.006 . 2 . . 1835 . . 54 GLY HA3 . 27148 2 511 . 2 1 54 54 GLY C C 13 172.747 . . 1 . . 690 . . 54 GLY C . 27148 2 512 . 2 1 54 54 GLY CA C 13 46.343 0.076 . 1 . . 532 . . 54 GLY CA . 27148 2 513 . 2 1 54 54 GLY N N 15 105.510 0.055 . 1 . . 109 . . 54 GLY N . 27148 2 514 . 2 1 55 55 ILE H H 1 8.686 0.009 . 1 . . 74 . . 55 ILE H . 27148 2 515 . 2 1 55 55 ILE CA C 13 62.903 . . 1 . . 622 . . 55 ILE CA . 27148 2 516 . 2 1 55 55 ILE CB C 13 38.549 . . 1 . . 621 . . 55 ILE CB . 27148 2 517 . 2 1 55 55 ILE N N 15 113.698 0.052 . 1 . . 75 . . 55 ILE N . 27148 2 518 . 2 1 56 56 SER HA H 1 4.260 0.001 . 1 . . 2079 . . 56 SER HA . 27148 2 519 . 2 1 56 56 SER HB2 H 1 3.811 0.002 . 2 . . 2077 . . 56 SER HB2 . 27148 2 520 . 2 1 56 56 SER HB3 H 1 3.970 0.008 . 2 . . 2078 . . 56 SER HB3 . 27148 2 521 . 2 1 56 56 SER CA C 13 55.667 0.03 . 1 . . 623 . . 56 SER CA . 27148 2 522 . 2 1 56 56 SER CB C 13 66.759 0.086 . 1 . . 624 . . 56 SER CB . 27148 2 523 . 2 1 57 57 CYS H H 1 8.728 0.002 . 1 . . 34 . . 57 CYS H . 27148 2 524 . 2 1 57 57 CYS HA H 1 3.839 0.002 . 1 . . 1827 . . 57 CYS HA . 27148 2 525 . 2 1 57 57 CYS HB2 H 1 2.663 0.006 . 2 . . 1828 . . 57 CYS HB2 . 27148 2 526 . 2 1 57 57 CYS HB3 H 1 2.734 0.006 . 2 . . 1829 . . 57 CYS HB3 . 27148 2 527 . 2 1 57 57 CYS CA C 13 62.333 0.076 . 1 . . 531 . . 57 CYS CA . 27148 2 528 . 2 1 57 57 CYS CB C 13 26.025 0.023 . 1 . . 530 . . 57 CYS CB . 27148 2 529 . 2 1 57 57 CYS N N 15 122.007 0.008 . 1 . . 35 . . 57 CYS N . 27148 2 530 . 2 1 58 58 GLY H H 1 8.729 0.008 . 1 . . 258 . . 58 GLY H . 27148 2 531 . 2 1 58 58 GLY HA2 H 1 3.777 0.011 . 2 . . 2153 . . 58 GLY HA2 . 27148 2 532 . 2 1 58 58 GLY HA3 H 1 3.704 0.007 . 2 . . 2154 . . 58 GLY HA3 . 27148 2 533 . 2 1 58 58 GLY CA C 13 46.901 0.025 . 1 . . 625 . . 58 GLY CA . 27148 2 534 . 2 1 58 58 GLY N N 15 108.663 0.098 . 1 . . 259 . . 58 GLY N . 27148 2 535 . 2 1 59 59 ASN HA H 1 4.525 0.004 . 1 . . 1529 . . 59 ASN HA . 27148 2 536 . 2 1 59 59 ASN HB2 H 1 2.730 0.002 . 2 . . 1822 . . 59 ASN HB2 . 27148 2 537 . 2 1 59 59 ASN HB3 H 1 2.924 0.004 . 2 . . 1824 . . 59 ASN HB3 . 27148 2 538 . 2 1 59 59 ASN C C 13 177.663 . . 1 . . 731 . . 59 ASN C . 27148 2 539 . 2 1 59 59 ASN CA C 13 55.954 0.05 . 1 . . 627 . . 59 ASN CA . 27148 2 540 . 2 1 59 59 ASN CB C 13 38.450 0.022 . 1 . . 626 . . 59 ASN CB . 27148 2 541 . 2 1 60 60 ALA H H 1 8.088 0.003 . 1 . . 177 . . 60 ALA H . 27148 2 542 . 2 1 60 60 ALA HA H 1 3.753 0.003 . 1 . . 1661 . . 60 ALA HA . 27148 2 543 . 2 1 60 60 ALA HB1 H 1 1.261 0.002 . 1 . . 1819 . . 60 ALA HB1 . 27148 2 544 . 2 1 60 60 ALA HB2 H 1 1.261 0.002 . 1 . . 1819 . . 60 ALA HB2 . 27148 2 545 . 2 1 60 60 ALA HB3 H 1 1.261 0.002 . 1 . . 1819 . . 60 ALA HB3 . 27148 2 546 . 2 1 60 60 ALA C C 13 178.716 . . 1 . . 771 . . 60 ALA C . 27148 2 547 . 2 1 60 60 ALA CA C 13 55.489 0.073 . 1 . . 402 . . 60 ALA CA . 27148 2 548 . 2 1 60 60 ALA CB C 13 17.472 0.021 . 1 . . 403 . . 60 ALA CB . 27148 2 549 . 2 1 60 60 ALA N N 15 123.789 0.005 . 1 . . 178 . . 60 ALA N . 27148 2 550 . 2 1 61 61 GLN H H 1 7.693 0.007 . 1 . . 70 . . 61 GLN H . 27148 2 551 . 2 1 61 61 GLN HA H 1 4.048 0.004 . 1 . . 2095 . . 61 GLN HA . 27148 2 552 . 2 1 61 61 GLN HB2 H 1 1.461 0.004 . 1 . . 2096 . . 61 GLN HB2 . 27148 2 553 . 2 1 61 61 GLN HG2 H 1 2.154 0.003 . 2 . . 1113 . . 61 GLN HG2 . 27148 2 554 . 2 1 61 61 GLN HG3 H 1 2.402 0.003 . 2 . . 2094 . . 61 GLN HG3 . 27148 2 555 . 2 1 61 61 GLN HE21 H 1 6.337 0.002 . 1 . . 2177 . . 61 GLN HE21 . 27148 2 556 . 2 1 61 61 GLN HE22 H 1 7.051 0.02 . 1 . . 2178 . . 61 GLN HE22 . 27148 2 557 . 2 1 61 61 GLN C C 13 177.741 . . 1 . . 746 . . 61 GLN C . 27148 2 558 . 2 1 61 61 GLN CA C 13 59.273 0.056 . 1 . . 401 . . 61 GLN CA . 27148 2 559 . 2 1 61 61 GLN CB C 13 27.240 0.044 . 1 . . 400 . . 61 GLN CB . 27148 2 560 . 2 1 61 61 GLN CG C 13 33.125 0.031 . 1 . . 1114 . . 61 GLN CG . 27148 2 561 . 2 1 61 61 GLN CD C 13 179.288 . . 1 . . 2179 . . 61 GLN CD . 27148 2 562 . 2 1 61 61 GLN N N 15 118.219 0.014 . 1 . . 71 . . 61 GLN N . 27148 2 563 . 2 1 61 61 GLN NE2 N 15 110.820 0.037 . 1 . . 2176 . . 61 GLN NE2 . 27148 2 564 . 2 1 62 62 SER H H 1 7.910 0.004 . 1 . . 238 . . 62 SER H . 27148 2 565 . 2 1 62 62 SER HA H 1 4.138 . . 1 . . 2069 . . 62 SER HA . 27148 2 566 . 2 1 62 62 SER HB2 H 1 4.169 . . 2 . . 2185 . . 62 SER HB2 . 27148 2 567 . 2 1 62 62 SER HB3 H 1 4.128 . . 2 . . 2188 . . 62 SER HB3 . 27148 2 568 . 2 1 62 62 SER C C 13 176.002 . . 1 . . 729 . . 62 SER C . 27148 2 569 . 2 1 62 62 SER CA C 13 61.776 0.074 . 1 . . 2072 . . 62 SER CA . 27148 2 570 . 2 1 62 62 SER CB C 13 62.999 0.069 . 1 . . 2073 . . 62 SER CB . 27148 2 571 . 2 1 62 62 SER N N 15 113.251 0.005 . 1 . . 239 . . 62 SER N . 27148 2 572 . 2 1 63 63 ASP H H 1 8.183 0.004 . 1 . . 54 . . 63 ASP H . 27148 2 573 . 2 1 63 63 ASP HA H 1 4.403 0.009 . 1 . . 921 . . 63 ASP HA . 27148 2 574 . 2 1 63 63 ASP HB2 H 1 2.751 0.005 . 2 . . 1812 . . 63 ASP HB2 . 27148 2 575 . 2 1 63 63 ASP HB3 H 1 2.842 0.009 . 2 . . 1813 . . 63 ASP HB3 . 27148 2 576 . 2 1 63 63 ASP C C 13 177.493 . . 1 . . 727 . . 63 ASP C . 27148 2 577 . 2 1 63 63 ASP CA C 13 58.005 0.058 . 1 . . 398 . . 63 ASP CA . 27148 2 578 . 2 1 63 63 ASP CB C 13 43.614 0.046 . 1 . . 399 . . 63 ASP CB . 27148 2 579 . 2 1 63 63 ASP N N 15 121.071 0.018 . 1 . . 55 . . 63 ASP N . 27148 2 580 . 2 1 64 64 ALA H H 1 8.251 0.004 . 1 . . 24 . . 64 ALA H . 27148 2 581 . 2 1 64 64 ALA HA H 1 3.766 0.001 . 1 . . 917 . . 64 ALA HA . 27148 2 582 . 2 1 64 64 ALA HB1 H 1 1.445 0.001 . 1 . . 918 . . 64 ALA HB1 . 27148 2 583 . 2 1 64 64 ALA HB2 H 1 1.445 0.001 . 1 . . 918 . . 64 ALA HB2 . 27148 2 584 . 2 1 64 64 ALA HB3 H 1 1.445 0.001 . 1 . . 918 . . 64 ALA HB3 . 27148 2 585 . 2 1 64 64 ALA C C 13 179.276 . . 1 . . 725 . . 64 ALA C . 27148 2 586 . 2 1 64 64 ALA CA C 13 55.824 0.062 . 1 . . 396 . . 64 ALA CA . 27148 2 587 . 2 1 64 64 ALA CB C 13 17.585 0.016 . 1 . . 397 . . 64 ALA CB . 27148 2 588 . 2 1 64 64 ALA N N 15 121.445 0.033 . 1 . . 25 . . 64 ALA N . 27148 2 589 . 2 1 65 65 ALA H H 1 8.275 0.004 . 1 . . 22 . . 65 ALA H . 27148 2 590 . 2 1 65 65 ALA HA H 1 4.126 0.004 . 1 . . 913 . . 65 ALA HA . 27148 2 591 . 2 1 65 65 ALA HB1 H 1 1.698 0.004 . 1 . . 916 . . 65 ALA HB1 . 27148 2 592 . 2 1 65 65 ALA HB2 H 1 1.698 0.004 . 1 . . 916 . . 65 ALA HB2 . 27148 2 593 . 2 1 65 65 ALA HB3 H 1 1.698 0.004 . 1 . . 916 . . 65 ALA HB3 . 27148 2 594 . 2 1 65 65 ALA C C 13 179.272 . . 1 . . 696 . . 65 ALA C . 27148 2 595 . 2 1 65 65 ALA CA C 13 54.975 0.107 . 1 . . 395 . . 65 ALA CA . 27148 2 596 . 2 1 65 65 ALA CB C 13 18.213 0.05 . 1 . . 394 . . 65 ALA CB . 27148 2 597 . 2 1 65 65 ALA N N 15 118.857 0.008 . 1 . . 23 . . 65 ALA N . 27148 2 598 . 2 1 66 66 HIS H H 1 8.598 0.004 . 1 . . 326 . . 66 HIS H . 27148 2 599 . 2 1 66 66 HIS HA H 1 3.889 0.002 . 1 . . 1222 . . 66 HIS HA . 27148 2 600 . 2 1 66 66 HIS HB2 H 1 2.513 0.003 . 2 . . 859 . . 66 HIS HB2 . 27148 2 601 . 2 1 66 66 HIS HB3 H 1 3.440 0.007 . 2 . . 860 . . 66 HIS HB3 . 27148 2 602 . 2 1 66 66 HIS C C 13 177.508 . . 1 . . 718 . . 66 HIS C . 27148 2 603 . 2 1 66 66 HIS CA C 13 57.635 0.123 . 1 . . 514 . . 66 HIS CA . 27148 2 604 . 2 1 66 66 HIS CB C 13 28.383 0.051 . 1 . . 515 . . 66 HIS CB . 27148 2 605 . 2 1 66 66 HIS N N 15 117.659 0.059 . 1 . . 327 . . 66 HIS N . 27148 2 606 . 2 1 67 67 ASN H H 1 8.408 0.005 . 1 . . 235 . . 67 ASN H . 27148 2 607 . 2 1 67 67 ASN HA H 1 4.247 0.001 . 1 . . 1811 . . 67 ASN HA . 27148 2 608 . 2 1 67 67 ASN HB2 H 1 2.618 0.01 . 2 . . 1809 . . 67 ASN HB2 . 27148 2 609 . 2 1 67 67 ASN HB3 H 1 2.692 0.015 . 2 . . 1810 . . 67 ASN HB3 . 27148 2 610 . 2 1 67 67 ASN HD21 H 1 6.071 0.009 . 1 . . 2168 . . 67 ASN HD21 . 27148 2 611 . 2 1 67 67 ASN HD22 H 1 7.845 0.006 . 1 . . 2170 . . 67 ASN HD22 . 27148 2 612 . 2 1 67 67 ASN C C 13 176.707 . . 1 . . 716 . . 67 ASN C . 27148 2 613 . 2 1 67 67 ASN CA C 13 55.843 0.093 . 1 . . 390 . . 67 ASN CA . 27148 2 614 . 2 1 67 67 ASN CB C 13 37.199 0.025 . 1 . . 391 . . 67 ASN CB . 27148 2 615 . 2 1 67 67 ASN CG C 13 174.097 . . 1 . . 2171 . . 67 ASN CG . 27148 2 616 . 2 1 67 67 ASN N N 15 119.120 0.015 . 1 . . 236 . . 67 ASN N . 27148 2 617 . 2 1 67 67 ASN ND2 N 15 111.982 0.019 . 1 . . 2169 . . 67 ASN ND2 . 27148 2 618 . 2 1 68 68 ALA H H 1 8.405 0.003 . 1 . . 242 . . 68 ALA H . 27148 2 619 . 2 1 68 68 ALA HA H 1 4.446 0.001 . 1 . . 854 . . 68 ALA HA . 27148 2 620 . 2 1 68 68 ALA HB1 H 1 1.564 0.001 . 1 . . 855 . . 68 ALA HB1 . 27148 2 621 . 2 1 68 68 ALA HB2 H 1 1.564 0.001 . 1 . . 855 . . 68 ALA HB2 . 27148 2 622 . 2 1 68 68 ALA HB3 H 1 1.564 0.001 . 1 . . 855 . . 68 ALA HB3 . 27148 2 623 . 2 1 68 68 ALA C C 13 179.298 . . 1 . . 710 . . 68 ALA C . 27148 2 624 . 2 1 68 68 ALA CA C 13 55.609 0.075 . 1 . . 388 . . 68 ALA CA . 27148 2 625 . 2 1 68 68 ALA CB C 13 19.316 0.044 . 1 . . 389 . . 68 ALA CB . 27148 2 626 . 2 1 68 68 ALA N N 15 122.702 0.007 . 1 . . 243 . . 68 ALA N . 27148 2 627 . 2 1 69 69 LEU H H 1 8.457 0.002 . 1 . . 80 . . 69 LEU H . 27148 2 628 . 2 1 69 69 LEU HA H 1 4.002 0.007 . 1 . . 851 . . 69 LEU HA . 27148 2 629 . 2 1 69 69 LEU HB2 H 1 2.172 0.007 . 2 . . 1798 . . 69 LEU HB2 . 27148 2 630 . 2 1 69 69 LEU HB3 H 1 1.577 0.004 . 2 . . 1799 . . 69 LEU HB3 . 27148 2 631 . 2 1 69 69 LEU HG H 1 2.007 0.003 . 1 . . 1800 . . 69 LEU HG . 27148 2 632 . 2 1 69 69 LEU HD11 H 1 1.252 0.001 . 2 . . 1802 . . 69 LEU HD11 . 27148 2 633 . 2 1 69 69 LEU HD12 H 1 1.252 0.001 . 2 . . 1802 . . 69 LEU HD12 . 27148 2 634 . 2 1 69 69 LEU HD13 H 1 1.252 0.001 . 2 . . 1802 . . 69 LEU HD13 . 27148 2 635 . 2 1 69 69 LEU HD21 H 1 0.954 0.004 . 2 . . 1804 . . 69 LEU HD21 . 27148 2 636 . 2 1 69 69 LEU HD22 H 1 0.954 0.004 . 2 . . 1804 . . 69 LEU HD22 . 27148 2 637 . 2 1 69 69 LEU HD23 H 1 0.954 0.004 . 2 . . 1804 . . 69 LEU HD23 . 27148 2 638 . 2 1 69 69 LEU C C 13 180.711 . . 1 . . 738 . . 69 LEU C . 27148 2 639 . 2 1 69 69 LEU CA C 13 58.382 0.073 . 1 . . 387 . . 69 LEU CA . 27148 2 640 . 2 1 69 69 LEU CB C 13 42.338 0.078 . 1 . . 386 . . 69 LEU CB . 27148 2 641 . 2 1 69 69 LEU CG C 13 27.280 0.022 . 1 . . 1801 . . 69 LEU CG . 27148 2 642 . 2 1 69 69 LEU CD1 C 13 27.412 0.013 . 2 . . 1803 . . 69 LEU CD1 . 27148 2 643 . 2 1 69 69 LEU CD2 C 13 24.466 0.015 . 2 . . 1805 . . 69 LEU CD2 . 27148 2 644 . 2 1 69 69 LEU N N 15 118.331 0.038 . 1 . . 81 . . 69 LEU N . 27148 2 645 . 2 1 70 70 GLN H H 1 8.070 0.002 . 1 . . 300 . . 70 GLN H . 27148 2 646 . 2 1 70 70 GLN HA H 1 4.041 . . 1 . . 847 . . 70 GLN HA . 27148 2 647 . 2 1 70 70 GLN HB2 H 1 1.953 0.004 . 2 . . 2109 . . 70 GLN HB2 . 27148 2 648 . 2 1 70 70 GLN HB3 H 1 2.328 0.006 . 2 . . 2110 . . 70 GLN HB3 . 27148 2 649 . 2 1 70 70 GLN HG2 H 1 2.207 0.002 . 2 . . 2107 . . 70 GLN HG2 . 27148 2 650 . 2 1 70 70 GLN HG3 H 1 2.332 0.004 . 2 . . 2108 . . 70 GLN HG3 . 27148 2 651 . 2 1 70 70 GLN C C 13 178.421 . . 1 . . 697 . . 70 GLN C . 27148 2 652 . 2 1 70 70 GLN CA C 13 59.010 0.059 . 1 . . 385 . . 70 GLN CA . 27148 2 653 . 2 1 70 70 GLN CB C 13 28.848 0.042 . 1 . . 384 . . 70 GLN CB . 27148 2 654 . 2 1 70 70 GLN CG C 13 33.842 0.047 . 1 . . 846 . . 70 GLN CG . 27148 2 655 . 2 1 70 70 GLN N N 15 118.136 0.005 . 1 . . 301 . . 70 GLN N . 27148 2 656 . 2 1 71 71 TYR H H 1 8.566 0.002 . 1 . . 194 . . 71 TYR H . 27148 2 657 . 2 1 71 71 TYR HA H 1 3.955 0.002 . 1 . . 841 . . 71 TYR HA . 27148 2 658 . 2 1 71 71 TYR HB2 H 1 3.081 0.003 . 1 . . 842 . . 71 TYR HB2 . 27148 2 659 . 2 1 71 71 TYR C C 13 176.571 . . 1 . . 673 . . 71 TYR C . 27148 2 660 . 2 1 71 71 TYR CA C 13 61.599 0.083 . 1 . . 383 . . 71 TYR CA . 27148 2 661 . 2 1 71 71 TYR CB C 13 38.768 0.051 . 1 . . 382 . . 71 TYR CB . 27148 2 662 . 2 1 71 71 TYR N N 15 121.310 0.01 . 1 . . 195 . . 71 TYR N . 27148 2 663 . 2 1 72 72 LEU H H 1 8.931 0.005 . 1 . . 18 . . 72 LEU H . 27148 2 664 . 2 1 72 72 LEU HA H 1 3.743 0.004 . 1 . . 889 . . 72 LEU HA . 27148 2 665 . 2 1 72 72 LEU HB2 H 1 1.433 0.006 . 2 . . 891 . . 72 LEU HB2 . 27148 2 666 . 2 1 72 72 LEU HB3 H 1 1.874 0.01 . 2 . . 1592 . . 72 LEU HB3 . 27148 2 667 . 2 1 72 72 LEU HG H 1 1.936 0.014 . 1 . . 890 . . 72 LEU HG . 27148 2 668 . 2 1 72 72 LEU HD11 H 1 0.733 0.004 . 2 . . 1422 . . 72 LEU HD11 . 27148 2 669 . 2 1 72 72 LEU HD12 H 1 0.733 0.004 . 2 . . 1422 . . 72 LEU HD12 . 27148 2 670 . 2 1 72 72 LEU HD13 H 1 0.733 0.004 . 2 . . 1422 . . 72 LEU HD13 . 27148 2 671 . 2 1 72 72 LEU HD21 H 1 0.867 0.001 . 2 . . 1618 . . 72 LEU HD21 . 27148 2 672 . 2 1 72 72 LEU HD22 H 1 0.867 0.001 . 2 . . 1618 . . 72 LEU HD22 . 27148 2 673 . 2 1 72 72 LEU HD23 H 1 0.867 0.001 . 2 . . 1618 . . 72 LEU HD23 . 27148 2 674 . 2 1 72 72 LEU C C 13 179.965 . . 1 . . 783 . . 72 LEU C . 27148 2 675 . 2 1 72 72 LEU CA C 13 57.565 0.066 . 1 . . 631 . . 72 LEU CA . 27148 2 676 . 2 1 72 72 LEU CB C 13 41.395 0.033 . 1 . . 632 . . 72 LEU CB . 27148 2 677 . 2 1 72 72 LEU CG C 13 27.044 0.037 . 1 . . 894 . . 72 LEU CG . 27148 2 678 . 2 1 72 72 LEU CD1 C 13 21.672 0.019 . 2 . . 1423 . . 72 LEU CD1 . 27148 2 679 . 2 1 72 72 LEU CD2 C 13 26.450 0.029 . 2 . . 1619 . . 72 LEU CD2 . 27148 2 680 . 2 1 72 72 LEU N N 15 117.647 0.026 . 1 . . 19 . . 72 LEU N . 27148 2 681 . 2 1 73 73 LYS H H 1 7.550 0.004 . 1 . . 304 . . 73 LYS H . 27148 2 682 . 2 1 73 73 LYS HA H 1 4.035 0.003 . 1 . . 1077 . . 73 LYS HA . 27148 2 683 . 2 1 73 73 LYS HB2 H 1 1.989 0.005 . 1 . . 1078 . . 73 LYS HB2 . 27148 2 684 . 2 1 73 73 LYS HG2 H 1 1.538 0.004 . 2 . . 1079 . . 73 LYS HG2 . 27148 2 685 . 2 1 73 73 LYS HG3 H 1 1.400 0.013 . 2 . . 1082 . . 73 LYS HG3 . 27148 2 686 . 2 1 73 73 LYS HD2 H 1 1.733 0.006 . 1 . . 1081 . . 73 LYS HD2 . 27148 2 687 . 2 1 73 73 LYS HE2 H 1 3.018 0.009 . 1 . . 1080 . . 73 LYS HE2 . 27148 2 688 . 2 1 73 73 LYS C C 13 178.494 . . 1 . . 793 . . 73 LYS C . 27148 2 689 . 2 1 73 73 LYS CA C 13 59.313 0.101 . 1 . . 633 . . 73 LYS CA . 27148 2 690 . 2 1 73 73 LYS CB C 13 32.482 0.036 . 1 . . 507 . . 73 LYS CB . 27148 2 691 . 2 1 73 73 LYS CG C 13 24.899 0.081 . 1 . . 887 . . 73 LYS CG . 27148 2 692 . 2 1 73 73 LYS CD C 13 29.588 0.121 . 1 . . 886 . . 73 LYS CD . 27148 2 693 . 2 1 73 73 LYS CE C 13 42.199 0.029 . 1 . . 885 . . 73 LYS CE . 27148 2 694 . 2 1 73 73 LYS N N 15 119.150 0.029 . 1 . . 305 . . 73 LYS N . 27148 2 695 . 2 1 74 74 ILE H H 1 7.419 0.005 . 1 . . 124 . . 74 ILE H . 27148 2 696 . 2 1 74 74 ILE HA H 1 3.810 0.004 . 1 . . 874 . . 74 ILE HA . 27148 2 697 . 2 1 74 74 ILE HB H 1 1.875 0.003 . 1 . . 875 . . 74 ILE HB . 27148 2 698 . 2 1 74 74 ILE HG12 H 1 1.202 0.002 . 2 . . 1075 . . 74 ILE HG12 . 27148 2 699 . 2 1 74 74 ILE HG13 H 1 1.699 0.002 . 2 . . 1784 . . 74 ILE HG13 . 27148 2 700 . 2 1 74 74 ILE HG21 H 1 0.876 0.005 . 1 . . 876 . . 74 ILE HG21 . 27148 2 701 . 2 1 74 74 ILE HG22 H 1 0.876 0.005 . 1 . . 876 . . 74 ILE HG22 . 27148 2 702 . 2 1 74 74 ILE HG23 H 1 0.876 0.005 . 1 . . 876 . . 74 ILE HG23 . 27148 2 703 . 2 1 74 74 ILE HD11 H 1 0.867 0.006 . 1 . . 1076 . . 74 ILE HD11 . 27148 2 704 . 2 1 74 74 ILE HD12 H 1 0.867 0.006 . 1 . . 1076 . . 74 ILE HD12 . 27148 2 705 . 2 1 74 74 ILE HD13 H 1 0.867 0.006 . 1 . . 1076 . . 74 ILE HD13 . 27148 2 706 . 2 1 74 74 ILE C C 13 179.461 . . 1 . . 733 . . 74 ILE C . 27148 2 707 . 2 1 74 74 ILE CA C 13 64.476 0.096 . 1 . . 505 . . 74 ILE CA . 27148 2 708 . 2 1 74 74 ILE CB C 13 38.150 0.039 . 1 . . 506 . . 74 ILE CB . 27148 2 709 . 2 1 74 74 ILE CG1 C 13 29.458 0.066 . 1 . . 877 . . 74 ILE CG1 . 27148 2 710 . 2 1 74 74 ILE CG2 C 13 17.839 0.073 . 1 . . 878 . . 74 ILE CG2 . 27148 2 711 . 2 1 74 74 ILE CD1 C 13 14.427 0.016 . 1 . . 879 . . 74 ILE CD1 . 27148 2 712 . 2 1 74 74 ILE N N 15 119.853 0.01 . 1 . . 125 . . 74 ILE N . 27148 2 713 . 2 1 75 75 ILE H H 1 8.134 0.002 . 1 . . 229 . . 75 ILE H . 27148 2 714 . 2 1 75 75 ILE HA H 1 3.769 0.001 . 1 . . 865 . . 75 ILE HA . 27148 2 715 . 2 1 75 75 ILE HB H 1 1.761 0.002 . 1 . . 866 . . 75 ILE HB . 27148 2 716 . 2 1 75 75 ILE HG12 H 1 0.931 0.002 . 1 . . 868 . . 75 ILE HG12 . 27148 2 717 . 2 1 75 75 ILE HG21 H 1 0.484 0.005 . 1 . . 1074 . . 75 ILE HG21 . 27148 2 718 . 2 1 75 75 ILE HG22 H 1 0.484 0.005 . 1 . . 1074 . . 75 ILE HG22 . 27148 2 719 . 2 1 75 75 ILE HG23 H 1 0.484 0.005 . 1 . . 1074 . . 75 ILE HG23 . 27148 2 720 . 2 1 75 75 ILE HD11 H 1 0.509 0.004 . 1 . . 869 . . 75 ILE HD11 . 27148 2 721 . 2 1 75 75 ILE HD12 H 1 0.509 0.004 . 1 . . 869 . . 75 ILE HD12 . 27148 2 722 . 2 1 75 75 ILE HD13 H 1 0.509 0.004 . 1 . . 869 . . 75 ILE HD13 . 27148 2 723 . 2 1 75 75 ILE C C 13 178.613 . . 1 . . 789 . . 75 ILE C . 27148 2 724 . 2 1 75 75 ILE CA C 13 63.802 0.082 . 1 . . 504 . . 75 ILE CA . 27148 2 725 . 2 1 75 75 ILE CB C 13 36.934 0.069 . 1 . . 503 . . 75 ILE CB . 27148 2 726 . 2 1 75 75 ILE CG1 C 13 26.440 0.097 . 1 . . 867 . . 75 ILE CG1 . 27148 2 727 . 2 1 75 75 ILE CG2 C 13 17.626 0.122 . 1 . . 870 . . 75 ILE CG2 . 27148 2 728 . 2 1 75 75 ILE CD1 C 13 12.451 0.076 . 1 . . 871 . . 75 ILE CD1 . 27148 2 729 . 2 1 75 75 ILE N N 15 116.241 0.011 . 1 . . 230 . . 75 ILE N . 27148 2 730 . 2 1 76 76 ALA H H 1 7.487 0.002 . 1 . . 86 . . 76 ALA H . 27148 2 731 . 2 1 76 76 ALA HA H 1 4.150 0.001 . 1 . . 861 . . 76 ALA HA . 27148 2 732 . 2 1 76 76 ALA HB1 H 1 1.522 0.001 . 1 . . 862 . . 76 ALA HB1 . 27148 2 733 . 2 1 76 76 ALA HB2 H 1 1.522 0.001 . 1 . . 862 . . 76 ALA HB2 . 27148 2 734 . 2 1 76 76 ALA HB3 H 1 1.522 0.001 . 1 . . 862 . . 76 ALA HB3 . 27148 2 735 . 2 1 76 76 ALA C C 13 179.180 . . 1 . . 790 . . 76 ALA C . 27148 2 736 . 2 1 76 76 ALA CA C 13 54.346 0.057 . 1 . . 501 . . 76 ALA CA . 27148 2 737 . 2 1 76 76 ALA CB C 13 18.536 0.019 . 1 . . 502 . . 76 ALA CB . 27148 2 738 . 2 1 76 76 ALA N N 15 123.211 0.014 . 1 . . 87 . . 76 ALA N . 27148 2 739 . 2 1 77 77 GLU H H 1 7.475 0.004 . 1 . . 290 . . 77 GLU H . 27148 2 740 . 2 1 77 77 GLU HA H 1 4.303 0.005 . 1 . . 910 . . 77 GLU HA . 27148 2 741 . 2 1 77 77 GLU HB2 H 1 2.044 0.003 . 2 . . 2065 . . 77 GLU HB2 . 27148 2 742 . 2 1 77 77 GLU HB3 H 1 2.218 0.009 . 2 . . 2066 . . 77 GLU HB3 . 27148 2 743 . 2 1 77 77 GLU HG2 H 1 2.291 0.007 . 2 . . 2067 . . 77 GLU HG2 . 27148 2 744 . 2 1 77 77 GLU HG3 H 1 2.480 0.004 . 2 . . 2068 . . 77 GLU HG3 . 27148 2 745 . 2 1 77 77 GLU C C 13 176.870 . . 1 . . 781 . . 77 GLU C . 27148 2 746 . 2 1 77 77 GLU CA C 13 56.483 0.057 . 1 . . 499 . . 77 GLU CA . 27148 2 747 . 2 1 77 77 GLU CB C 13 29.940 0.04 . 1 . . 500 . . 77 GLU CB . 27148 2 748 . 2 1 77 77 GLU CG C 13 36.153 0.046 . 1 . . 909 . . 77 GLU CG . 27148 2 749 . 2 1 77 77 GLU N N 15 114.951 0.009 . 1 . . 291 . . 77 GLU N . 27148 2 750 . 2 1 78 78 ARG H H 1 7.575 0.005 . 1 . . 240 . . 78 ARG H . 27148 2 751 . 2 1 78 78 ARG HA H 1 4.308 0.006 . 1 . . 903 . . 78 ARG HA . 27148 2 752 . 2 1 78 78 ARG HB2 H 1 1.819 0.006 . 2 . . 907 . . 78 ARG HB2 . 27148 2 753 . 2 1 78 78 ARG HB3 H 1 1.949 0.008 . 2 . . 1778 . . 78 ARG HB3 . 27148 2 754 . 2 1 78 78 ARG HG2 H 1 1.776 0.003 . 2 . . 908 . . 78 ARG HG2 . 27148 2 755 . 2 1 78 78 ARG HG3 H 1 1.696 0.006 . 2 . . 1638 . . 78 ARG HG3 . 27148 2 756 . 2 1 78 78 ARG HD2 H 1 3.096 0.009 . 2 . . 906 . . 78 ARG HD2 . 27148 2 757 . 2 1 78 78 ARG HD3 H 1 3.118 0.011 . 2 . . 1754 . . 78 ARG HD3 . 27148 2 758 . 2 1 78 78 ARG HE H 1 7.107 0.004 . 1 . . 268 . . 78 ARG HE . 27148 2 759 . 2 1 78 78 ARG C C 13 175.443 . . 1 . . 767 . . 78 ARG C . 27148 2 760 . 2 1 78 78 ARG CA C 13 56.877 0.061 . 1 . . 524 . . 78 ARG CA . 27148 2 761 . 2 1 78 78 ARG CB C 13 30.638 0.024 . 1 . . 525 . . 78 ARG CB . 27148 2 762 . 2 1 78 78 ARG CG C 13 27.112 0.026 . 1 . . 905 . . 78 ARG CG . 27148 2 763 . 2 1 78 78 ARG CD C 13 44.101 0.065 . 1 . . 904 . . 78 ARG CD . 27148 2 764 . 2 1 78 78 ARG N N 15 120.485 0.004 . 1 . . 241 . . 78 ARG N . 27148 2 765 . 2 1 78 78 ARG NE N 15 83.994 0.012 . 1 . . 269 . . 78 ARG NE . 27148 2 766 . 2 1 79 79 LYS H H 1 7.720 0.002 . 1 . . 110 . . 79 LYS H . 27148 2 767 . 2 1 79 79 LYS CB C 13 33.713 . . 1 . . 634 . . 79 LYS CB . 27148 2 768 . 2 1 79 79 LYS N N 15 127.441 0.006 . 1 . . 111 . . 79 LYS N . 27148 2 stop_ save_