data_25702 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25702 _Entry.Title ; Structures of the reduced and oxidized state of the mutant D24A of yeast thioredoxin 1: insight into the mechanism for the closing of the water cavity ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-07-13 _Entry.Accession_date 2015-07-13 _Entry.Last_release_date 2015-10-26 _Entry.Original_release_date 2015-10-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Anwar Iqbal . . . . 25702 2 Adolfo Moraes . H. . . 25702 3 'Ana Paula' Valente . . . . 25702 4 Fabio Almeida . C.L. . . 25702 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25702 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NMR Spectroscopy' . 25702 'Protein Hydration' . 25702 'Redox Catalytic Activity' . 25702 'Saccharomyces Cerevisiae' . 25702 Thioredoxin . 25702 'Water Cavity' . 25702 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25702 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 380 25702 '15N chemical shifts' 102 25702 '1H chemical shifts' 599 25702 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-08-09 2015-07-13 update BMRB 'update entry citation' 25702 1 . . 2015-10-26 2015-07-13 original author 'original release' 25702 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25703 'oxidized form of thioredoxin 1 from Sacharomyces cerevisiae' 25702 PDB 2N5A 'BMRB Entry Tracking System' 25702 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25702 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26482062 _Citation.Full_citation . _Citation.Title ; Structures of the reduced and oxidized state of the mutant D24A of yeast thioredoxin 1: insights into the mechanism for the closing of the water cavity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 63 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 417 _Citation.Page_last 423 _Citation.Year 2015 _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 Anwar Iqbal . . . . 25702 1 2 Adolfo Moraes . H. . . 25702 1 3 'Ana Paula' Valente . . . . 25702 1 4 Fabio Almeida . C.L. . . 25702 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25702 _Assembly.ID 1 _Assembly.Name 'reduced form of thioredoxin 1 from Sacharomyces cerevisiae' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'reduced form of thioredoxin 1 from Sacharomyces cerevisiae' 1 $Yeast_Thioredoxin_1_redcuced A . yes native no no . . . 25702 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Yeast_Thioredoxin_1_redcuced _Entity.Sf_category entity _Entity.Sf_framecode Yeast_Thioredoxin_1_redcuced _Entity.Entry_ID 25702 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Yeast_Thioredoxin_1_redcuced _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MVTQFKTASEFDSAIAQDKL VVVAFYATWCGPCKMIAPMI EKFSEQYPQADFYKLDVDEL GDVAQKNEVSAMPTLLLFKN GKEVAKVVGANPAAIKQAIA ANA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation D24A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11201.019 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 25702 1 2 2 VAL . 25702 1 3 3 THR . 25702 1 4 4 GLN . 25702 1 5 5 PHE . 25702 1 6 6 LYS . 25702 1 7 7 THR . 25702 1 8 8 ALA . 25702 1 9 9 SER . 25702 1 10 10 GLU . 25702 1 11 11 PHE . 25702 1 12 12 ASP . 25702 1 13 13 SER . 25702 1 14 14 ALA . 25702 1 15 15 ILE . 25702 1 16 16 ALA . 25702 1 17 17 GLN . 25702 1 18 18 ASP . 25702 1 19 19 LYS . 25702 1 20 20 LEU . 25702 1 21 21 VAL . 25702 1 22 22 VAL . 25702 1 23 23 VAL . 25702 1 24 24 ALA . 25702 1 25 25 PHE . 25702 1 26 26 TYR . 25702 1 27 27 ALA . 25702 1 28 28 THR . 25702 1 29 29 TRP . 25702 1 30 30 CYS . 25702 1 31 31 GLY . 25702 1 32 32 PRO . 25702 1 33 33 CYS . 25702 1 34 34 LYS . 25702 1 35 35 MET . 25702 1 36 36 ILE . 25702 1 37 37 ALA . 25702 1 38 38 PRO . 25702 1 39 39 MET . 25702 1 40 40 ILE . 25702 1 41 41 GLU . 25702 1 42 42 LYS . 25702 1 43 43 PHE . 25702 1 44 44 SER . 25702 1 45 45 GLU . 25702 1 46 46 GLN . 25702 1 47 47 TYR . 25702 1 48 48 PRO . 25702 1 49 49 GLN . 25702 1 50 50 ALA . 25702 1 51 51 ASP . 25702 1 52 52 PHE . 25702 1 53 53 TYR . 25702 1 54 54 LYS . 25702 1 55 55 LEU . 25702 1 56 56 ASP . 25702 1 57 57 VAL . 25702 1 58 58 ASP . 25702 1 59 59 GLU . 25702 1 60 60 LEU . 25702 1 61 61 GLY . 25702 1 62 62 ASP . 25702 1 63 63 VAL . 25702 1 64 64 ALA . 25702 1 65 65 GLN . 25702 1 66 66 LYS . 25702 1 67 67 ASN . 25702 1 68 68 GLU . 25702 1 69 69 VAL . 25702 1 70 70 SER . 25702 1 71 71 ALA . 25702 1 72 72 MET . 25702 1 73 73 PRO . 25702 1 74 74 THR . 25702 1 75 75 LEU . 25702 1 76 76 LEU . 25702 1 77 77 LEU . 25702 1 78 78 PHE . 25702 1 79 79 LYS . 25702 1 80 80 ASN . 25702 1 81 81 GLY . 25702 1 82 82 LYS . 25702 1 83 83 GLU . 25702 1 84 84 VAL . 25702 1 85 85 ALA . 25702 1 86 86 LYS . 25702 1 87 87 VAL . 25702 1 88 88 VAL . 25702 1 89 89 GLY . 25702 1 90 90 ALA . 25702 1 91 91 ASN . 25702 1 92 92 PRO . 25702 1 93 93 ALA . 25702 1 94 94 ALA . 25702 1 95 95 ILE . 25702 1 96 96 LYS . 25702 1 97 97 GLN . 25702 1 98 98 ALA . 25702 1 99 99 ILE . 25702 1 100 100 ALA . 25702 1 101 101 ALA . 25702 1 102 102 ASN . 25702 1 103 103 ALA . 25702 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25702 1 . VAL 2 2 25702 1 . THR 3 3 25702 1 . GLN 4 4 25702 1 . PHE 5 5 25702 1 . LYS 6 6 25702 1 . THR 7 7 25702 1 . ALA 8 8 25702 1 . SER 9 9 25702 1 . GLU 10 10 25702 1 . PHE 11 11 25702 1 . ASP 12 12 25702 1 . SER 13 13 25702 1 . ALA 14 14 25702 1 . ILE 15 15 25702 1 . ALA 16 16 25702 1 . GLN 17 17 25702 1 . ASP 18 18 25702 1 . LYS 19 19 25702 1 . LEU 20 20 25702 1 . VAL 21 21 25702 1 . VAL 22 22 25702 1 . VAL 23 23 25702 1 . ALA 24 24 25702 1 . PHE 25 25 25702 1 . TYR 26 26 25702 1 . ALA 27 27 25702 1 . THR 28 28 25702 1 . TRP 29 29 25702 1 . CYS 30 30 25702 1 . GLY 31 31 25702 1 . PRO 32 32 25702 1 . CYS 33 33 25702 1 . LYS 34 34 25702 1 . MET 35 35 25702 1 . ILE 36 36 25702 1 . ALA 37 37 25702 1 . PRO 38 38 25702 1 . MET 39 39 25702 1 . ILE 40 40 25702 1 . GLU 41 41 25702 1 . LYS 42 42 25702 1 . PHE 43 43 25702 1 . SER 44 44 25702 1 . GLU 45 45 25702 1 . GLN 46 46 25702 1 . TYR 47 47 25702 1 . PRO 48 48 25702 1 . GLN 49 49 25702 1 . ALA 50 50 25702 1 . ASP 51 51 25702 1 . PHE 52 52 25702 1 . TYR 53 53 25702 1 . LYS 54 54 25702 1 . LEU 55 55 25702 1 . ASP 56 56 25702 1 . VAL 57 57 25702 1 . ASP 58 58 25702 1 . GLU 59 59 25702 1 . LEU 60 60 25702 1 . GLY 61 61 25702 1 . ASP 62 62 25702 1 . VAL 63 63 25702 1 . ALA 64 64 25702 1 . GLN 65 65 25702 1 . LYS 66 66 25702 1 . ASN 67 67 25702 1 . GLU 68 68 25702 1 . VAL 69 69 25702 1 . SER 70 70 25702 1 . ALA 71 71 25702 1 . MET 72 72 25702 1 . PRO 73 73 25702 1 . THR 74 74 25702 1 . LEU 75 75 25702 1 . LEU 76 76 25702 1 . LEU 77 77 25702 1 . PHE 78 78 25702 1 . LYS 79 79 25702 1 . ASN 80 80 25702 1 . GLY 81 81 25702 1 . LYS 82 82 25702 1 . GLU 83 83 25702 1 . VAL 84 84 25702 1 . ALA 85 85 25702 1 . LYS 86 86 25702 1 . VAL 87 87 25702 1 . VAL 88 88 25702 1 . GLY 89 89 25702 1 . ALA 90 90 25702 1 . ASN 91 91 25702 1 . PRO 92 92 25702 1 . ALA 93 93 25702 1 . ALA 94 94 25702 1 . ILE 95 95 25702 1 . LYS 96 96 25702 1 . GLN 97 97 25702 1 . ALA 98 98 25702 1 . ILE 99 99 25702 1 . ALA 100 100 25702 1 . ALA 101 101 25702 1 . ASN 102 102 25702 1 . ALA 103 103 25702 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 25702 _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 $Yeast_Thioredoxin_1_redcuced . . 'SACCHAROMYCES CEREVISIAE' . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 25702 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 25702 _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 $Yeast_Thioredoxin_1_redcuced . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . PET17B . . . 25702 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_D24A_reduced _Sample.Sf_category sample _Sample.Sf_framecode D24A_reduced _Sample.Entry_ID 25702 _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 'yTrx1D24A reduced' '[U-100% 13C; U-100% 15N]' . . 1 $Yeast_Thioredoxin_1_redcuced . . 850 . . uM . . . . 25702 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25702 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25702 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25702 _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 'ionic strength' 0.02 . M 25702 1 pH 7 . pH 25702 1 pressure 1 . atm 25702 1 temperature 298 . K 25702 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 25702 _Software.ID 1 _Software.Name ARIA _Software.Version aria2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25702 1 "Linge, O'Donoghue and Nilges" . . 25702 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25702 1 'structure solution' 25702 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25702 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'NOESY HSCQ (15N), NOESY HSCQ (AROMATIC),' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25702 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'HNCO, CBCACONH, HCCH COSY, HHCH TOCSY, TRHBHACONH, NOESY HSCQ (aliphatic),' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 25702 _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 spectrometer_1 Bruker Avance . 600 'NOESY HSCQ (15N), NOESY HSCQ (AROMATIC),' . . 25702 1 2 spectrometer_2 Bruker Avance . 700 'HNCO, CBCACONH, HCCH COSY, HHCH TOCSY, TRHBHACONH, NOESY HSCQ (aliphatic),' . . 25702 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 25702 _Experiment_list.ID 1 _Experiment_list.Details 'TORSION ANGLE SIMULATED ANNEALING' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $D24A_reduced isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25702 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $D24A_reduced isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25702 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $D24A_reduced isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25702 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $D24A_reduced isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25702 1 5 '3D HNCO' no . . . . . . . . . . 1 $D24A_reduced isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25702 1 6 '3D HNCACB' no . . . . . . . . . . 1 $D24A_reduced isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25702 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $D24A_reduced isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25702 1 8 '3D HCCH-COSY' no . . . . . . . . . . 1 $D24A_reduced isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25702 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $D24A_reduced isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25702 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $D24A_reduced isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25702 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $D24A_reduced isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25702 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $D24A_reduced isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25702 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 25702 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25702 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25702 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25702 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 25702 _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 '2D 1H-15N HSQC' . . . 25702 1 2 '2D 1H-13C HSQC' . . . 25702 1 3 '2D 1H-13C HSQC aromatic' . . . 25702 1 4 '3D CBCA(CO)NH' . . . 25702 1 5 '3D HNCO' . . . 25702 1 6 '3D HNCACB' . . . 25702 1 7 '3D HCCH-TOCSY' . . . 25702 1 8 '3D HCCH-COSY' . . . 25702 1 9 '3D HBHA(CO)NH' . . . 25702 1 10 '3D 1H-15N NOESY' . . . 25702 1 11 '3D 1H-13C NOESY aliphatic' . . . 25702 1 12 '3D 1H-13C NOESY aromatic' . . . 25702 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.058 0.017 . 1 . . . A 1 MET HA . 25702 1 2 . 1 1 1 1 MET HB3 H 1 2.029 0.000 . 1 . . . A 1 MET HB3 . 25702 1 3 . 1 1 1 1 MET HG2 H 1 2.408 0.019 . 2 . . . A 1 MET HG2 . 25702 1 4 . 1 1 1 1 MET HG3 H 1 2.375 0.005 . 2 . . . A 1 MET HG3 . 25702 1 5 . 1 1 1 1 MET HE1 H 1 2.031 0.012 . 1 . . . A 1 MET HE1 . 25702 1 6 . 1 1 1 1 MET HE2 H 1 2.031 0.012 . 1 . . . A 1 MET HE2 . 25702 1 7 . 1 1 1 1 MET HE3 H 1 2.031 0.012 . 1 . . . A 1 MET HE3 . 25702 1 8 . 1 1 1 1 MET C C 13 171.265 0.000 . 1 . . . A 1 MET C . 25702 1 9 . 1 1 1 1 MET CA C 13 54.785 0.037 . 1 . . . A 1 MET CA . 25702 1 10 . 1 1 1 1 MET CB C 13 32.938 0.000 . 1 . . . A 1 MET CB . 25702 1 11 . 1 1 1 1 MET CG C 13 30.645 0.027 . 1 . . . A 1 MET CG . 25702 1 12 . 1 1 1 1 MET CE C 13 17.172 0.110 . 1 . . . A 1 MET CE . 25702 1 13 . 1 1 2 2 VAL H H 1 8.590 0.032 . 1 . . . A 2 VAL H . 25702 1 14 . 1 1 2 2 VAL HA H 1 4.078 0.019 . 1 . . . A 2 VAL HA . 25702 1 15 . 1 1 2 2 VAL HB H 1 1.795 0.017 . 1 . . . A 2 VAL HB . 25702 1 16 . 1 1 2 2 VAL HG11 H 1 0.534 0.023 . 2 . . . A 2 VAL HG11 . 25702 1 17 . 1 1 2 2 VAL HG12 H 1 0.534 0.023 . 2 . . . A 2 VAL HG12 . 25702 1 18 . 1 1 2 2 VAL HG13 H 1 0.534 0.023 . 2 . . . A 2 VAL HG13 . 25702 1 19 . 1 1 2 2 VAL HG21 H 1 0.631 0.011 . 2 . . . A 2 VAL HG21 . 25702 1 20 . 1 1 2 2 VAL HG22 H 1 0.631 0.011 . 2 . . . A 2 VAL HG22 . 25702 1 21 . 1 1 2 2 VAL HG23 H 1 0.631 0.011 . 2 . . . A 2 VAL HG23 . 25702 1 22 . 1 1 2 2 VAL C C 13 175.261 0.000 . 1 . . . A 2 VAL C . 25702 1 23 . 1 1 2 2 VAL CA C 13 61.049 0.026 . 1 . . . A 2 VAL CA . 25702 1 24 . 1 1 2 2 VAL CB C 13 32.667 0.205 . 1 . . . A 2 VAL CB . 25702 1 25 . 1 1 2 2 VAL CG1 C 13 20.679 0.028 . 2 . . . A 2 VAL CG1 . 25702 1 26 . 1 1 2 2 VAL CG2 C 13 20.707 0.031 . 2 . . . A 2 VAL CG2 . 25702 1 27 . 1 1 2 2 VAL N N 15 125.020 0.009 . 1 . . . A 2 VAL N . 25702 1 28 . 1 1 3 3 THR H H 1 7.778 0.011 . 1 . . . A 3 THR H . 25702 1 29 . 1 1 3 3 THR HA H 1 4.138 0.003 . 1 . . . A 3 THR HA . 25702 1 30 . 1 1 3 3 THR HB H 1 3.657 0.013 . 1 . . . A 3 THR HB . 25702 1 31 . 1 1 3 3 THR HG21 H 1 1.093 0.009 . 1 . . . A 3 THR HG21 . 25702 1 32 . 1 1 3 3 THR HG22 H 1 1.093 0.009 . 1 . . . A 3 THR HG22 . 25702 1 33 . 1 1 3 3 THR HG23 H 1 1.093 0.009 . 1 . . . A 3 THR HG23 . 25702 1 34 . 1 1 3 3 THR C C 13 173.129 0.000 . 1 . . . A 3 THR C . 25702 1 35 . 1 1 3 3 THR CA C 13 62.804 0.084 . 1 . . . A 3 THR CA . 25702 1 36 . 1 1 3 3 THR CB C 13 69.547 0.068 . 1 . . . A 3 THR CB . 25702 1 37 . 1 1 3 3 THR N N 15 125.759 0.012 . 1 . . . A 3 THR N . 25702 1 38 . 1 1 4 4 GLN H H 1 8.975 0.004 . 1 . . . A 4 GLN H . 25702 1 39 . 1 1 4 4 GLN HA H 1 4.739 0.041 . 1 . . . A 4 GLN HA . 25702 1 40 . 1 1 4 4 GLN HB2 H 1 1.795 0.016 . 2 . . . A 4 GLN HB2 . 25702 1 41 . 1 1 4 4 GLN HB3 H 1 2.006 0.020 . 2 . . . A 4 GLN HB3 . 25702 1 42 . 1 1 4 4 GLN HE21 H 1 7.154 0.005 . 1 . . . A 4 GLN HE21 . 25702 1 43 . 1 1 4 4 GLN HE22 H 1 6.552 0.005 . 1 . . . A 4 GLN HE22 . 25702 1 44 . 1 1 4 4 GLN C C 13 176.754 0.000 . 1 . . . A 4 GLN C . 25702 1 45 . 1 1 4 4 GLN CA C 13 54.435 0.112 . 1 . . . A 4 GLN CA . 25702 1 46 . 1 1 4 4 GLN CB C 13 29.530 0.063 . 1 . . . A 4 GLN CB . 25702 1 47 . 1 1 4 4 GLN N N 15 127.746 0.024 . 1 . . . A 4 GLN N . 25702 1 48 . 1 1 4 4 GLN NE2 N 15 109.510 0.019 . 1 . . . A 4 GLN NE2 . 25702 1 49 . 1 1 5 5 PHE H H 1 8.422 0.006 . 1 . . . A 5 PHE H . 25702 1 50 . 1 1 5 5 PHE HA H 1 4.817 0.010 . 1 . . . A 5 PHE HA . 25702 1 51 . 1 1 5 5 PHE HB2 H 1 2.553 0.023 . 2 . . . A 5 PHE HB2 . 25702 1 52 . 1 1 5 5 PHE HB3 H 1 3.036 0.011 . 2 . . . A 5 PHE HB3 . 25702 1 53 . 1 1 5 5 PHE HD1 H 1 7.089 0.016 . 1 . . . A 5 PHE HD1 . 25702 1 54 . 1 1 5 5 PHE HD2 H 1 7.089 0.016 . 1 . . . A 5 PHE HD2 . 25702 1 55 . 1 1 5 5 PHE HE1 H 1 6.627 0.009 . 1 . . . A 5 PHE HE1 . 25702 1 56 . 1 1 5 5 PHE HE2 H 1 6.627 0.009 . 1 . . . A 5 PHE HE2 . 25702 1 57 . 1 1 5 5 PHE HZ H 1 5.751 0.004 . 1 . . . A 5 PHE HZ . 25702 1 58 . 1 1 5 5 PHE C C 13 176.102 0.000 . 1 . . . A 5 PHE C . 25702 1 59 . 1 1 5 5 PHE CA C 13 58.528 0.041 . 1 . . . A 5 PHE CA . 25702 1 60 . 1 1 5 5 PHE CB C 13 40.520 0.021 . 1 . . . A 5 PHE CB . 25702 1 61 . 1 1 5 5 PHE CD1 C 13 129.535 0.054 . 1 . . . A 5 PHE CD1 . 25702 1 62 . 1 1 5 5 PHE CD2 C 13 129.535 0.054 . 1 . . . A 5 PHE CD2 . 25702 1 63 . 1 1 5 5 PHE CE1 C 13 131.718 0.054 . 1 . . . A 5 PHE CE1 . 25702 1 64 . 1 1 5 5 PHE CE2 C 13 131.718 0.054 . 1 . . . A 5 PHE CE2 . 25702 1 65 . 1 1 5 5 PHE CZ C 13 129.014 0.013 . 1 . . . A 5 PHE CZ . 25702 1 66 . 1 1 5 5 PHE N N 15 126.242 0.025 . 1 . . . A 5 PHE N . 25702 1 67 . 1 1 6 6 LYS H H 1 9.822 0.007 . 1 . . . A 6 LYS H . 25702 1 68 . 1 1 6 6 LYS HA H 1 4.621 0.023 . 1 . . . A 6 LYS HA . 25702 1 69 . 1 1 6 6 LYS HB2 H 1 1.929 0.010 . 1 . . . A 6 LYS HB2 . 25702 1 70 . 1 1 6 6 LYS HB3 H 1 1.928 0.012 . 1 . . . A 6 LYS HB3 . 25702 1 71 . 1 1 6 6 LYS HG2 H 1 1.976 0.015 . 1 . . . A 6 LYS HG2 . 25702 1 72 . 1 1 6 6 LYS HG3 H 1 1.981 0.011 . 1 . . . A 6 LYS HG3 . 25702 1 73 . 1 1 6 6 LYS C C 13 176.994 0.000 . 1 . . . A 6 LYS C . 25702 1 74 . 1 1 6 6 LYS CA C 13 56.015 0.045 . 1 . . . A 6 LYS CA . 25702 1 75 . 1 1 6 6 LYS CB C 13 34.132 0.014 . 1 . . . A 6 LYS CB . 25702 1 76 . 1 1 6 6 LYS CG C 13 24.645 0.059 . 1 . . . A 6 LYS CG . 25702 1 77 . 1 1 6 6 LYS N N 15 119.482 0.024 . 1 . . . A 6 LYS N . 25702 1 78 . 1 1 7 7 THR H H 1 7.484 0.013 . 1 . . . A 7 THR H . 25702 1 79 . 1 1 7 7 THR HA H 1 4.597 0.005 . 1 . . . A 7 THR HA . 25702 1 80 . 1 1 7 7 THR HB H 1 4.479 0.004 . 1 . . . A 7 THR HB . 25702 1 81 . 1 1 7 7 THR HG21 H 1 1.120 0.024 . 1 . . . A 7 THR HG21 . 25702 1 82 . 1 1 7 7 THR HG22 H 1 1.120 0.024 . 1 . . . A 7 THR HG22 . 25702 1 83 . 1 1 7 7 THR HG23 H 1 1.120 0.024 . 1 . . . A 7 THR HG23 . 25702 1 84 . 1 1 7 7 THR C C 13 173.921 0.000 . 1 . . . A 7 THR C . 25702 1 85 . 1 1 7 7 THR CA C 13 59.155 0.050 . 1 . . . A 7 THR CA . 25702 1 86 . 1 1 7 7 THR CB C 13 72.660 0.037 . 1 . . . A 7 THR CB . 25702 1 87 . 1 1 7 7 THR CG2 C 13 21.725 0.000 . 1 . . . A 7 THR CG2 . 25702 1 88 . 1 1 7 7 THR N N 15 107.464 0.010 . 1 . . . A 7 THR N . 25702 1 89 . 1 1 8 8 ALA H H 1 9.031 0.010 . 1 . . . A 8 ALA H . 25702 1 90 . 1 1 8 8 ALA HA H 1 3.709 0.010 . 1 . . . A 8 ALA HA . 25702 1 91 . 1 1 8 8 ALA HB1 H 1 1.303 0.038 . 1 . . . A 8 ALA HB1 . 25702 1 92 . 1 1 8 8 ALA HB2 H 1 1.303 0.038 . 1 . . . A 8 ALA HB2 . 25702 1 93 . 1 1 8 8 ALA HB3 H 1 1.303 0.038 . 1 . . . A 8 ALA HB3 . 25702 1 94 . 1 1 8 8 ALA C C 13 179.409 0.000 . 1 . . . A 8 ALA C . 25702 1 95 . 1 1 8 8 ALA CA C 13 55.002 0.029 . 1 . . . A 8 ALA CA . 25702 1 96 . 1 1 8 8 ALA CB C 13 18.090 0.143 . 1 . . . A 8 ALA CB . 25702 1 97 . 1 1 8 8 ALA N N 15 123.987 0.023 . 1 . . . A 8 ALA N . 25702 1 98 . 1 1 9 9 SER H H 1 8.161 0.017 . 1 . . . A 9 SER H . 25702 1 99 . 1 1 9 9 SER HA H 1 4.127 0.011 . 1 . . . A 9 SER HA . 25702 1 100 . 1 1 9 9 SER HB2 H 1 3.815 0.006 . 1 . . . A 9 SER HB2 . 25702 1 101 . 1 1 9 9 SER HB3 H 1 3.813 0.006 . 1 . . . A 9 SER HB3 . 25702 1 102 . 1 1 9 9 SER C C 13 177.070 0.000 . 1 . . . A 9 SER C . 25702 1 103 . 1 1 9 9 SER CA C 13 61.109 0.049 . 1 . . . A 9 SER CA . 25702 1 104 . 1 1 9 9 SER CB C 13 62.226 0.000 . 1 . . . A 9 SER CB . 25702 1 105 . 1 1 9 9 SER N N 15 112.387 0.045 . 1 . . . A 9 SER N . 25702 1 106 . 1 1 10 10 GLU H H 1 7.522 0.013 . 1 . . . A 10 GLU H . 25702 1 107 . 1 1 10 10 GLU HA H 1 3.851 0.020 . 1 . . . A 10 GLU HA . 25702 1 108 . 1 1 10 10 GLU HB2 H 1 2.277 0.011 . 1 . . . A 10 GLU HB2 . 25702 1 109 . 1 1 10 10 GLU HB3 H 1 2.274 0.009 . 1 . . . A 10 GLU HB3 . 25702 1 110 . 1 1 10 10 GLU HG2 H 1 2.243 0.014 . 2 . . . A 10 GLU HG2 . 25702 1 111 . 1 1 10 10 GLU HG3 H 1 2.490 0.006 . 2 . . . A 10 GLU HG3 . 25702 1 112 . 1 1 10 10 GLU C C 13 178.776 0.000 . 1 . . . A 10 GLU C . 25702 1 113 . 1 1 10 10 GLU CA C 13 58.683 0.111 . 1 . . . A 10 GLU CA . 25702 1 114 . 1 1 10 10 GLU CB C 13 31.004 0.070 . 1 . . . A 10 GLU CB . 25702 1 115 . 1 1 10 10 GLU CG C 13 36.446 0.157 . 1 . . . A 10 GLU CG . 25702 1 116 . 1 1 10 10 GLU N N 15 121.941 0.058 . 1 . . . A 10 GLU N . 25702 1 117 . 1 1 11 11 PHE H H 1 6.624 0.018 . 1 . . . A 11 PHE H . 25702 1 118 . 1 1 11 11 PHE HA H 1 2.846 0.008 . 1 . . . A 11 PHE HA . 25702 1 119 . 1 1 11 11 PHE HB2 H 1 2.913 0.010 . 1 . . . A 11 PHE HB2 . 25702 1 120 . 1 1 11 11 PHE HB3 H 1 2.894 0.021 . 1 . . . A 11 PHE HB3 . 25702 1 121 . 1 1 11 11 PHE HD1 H 1 6.731 0.014 . 1 . . . A 11 PHE HD1 . 25702 1 122 . 1 1 11 11 PHE HD2 H 1 6.731 0.014 . 1 . . . A 11 PHE HD2 . 25702 1 123 . 1 1 11 11 PHE HE1 H 1 6.975 0.020 . 1 . . . A 11 PHE HE1 . 25702 1 124 . 1 1 11 11 PHE HE2 H 1 6.975 0.020 . 1 . . . A 11 PHE HE2 . 25702 1 125 . 1 1 11 11 PHE C C 13 174.944 0.000 . 1 . . . A 11 PHE C . 25702 1 126 . 1 1 11 11 PHE CA C 13 60.707 0.025 . 1 . . . A 11 PHE CA . 25702 1 127 . 1 1 11 11 PHE CB C 13 37.738 0.028 . 1 . . . A 11 PHE CB . 25702 1 128 . 1 1 11 11 PHE CD1 C 13 132.233 0.038 . 1 . . . A 11 PHE CD1 . 25702 1 129 . 1 1 11 11 PHE CD2 C 13 132.233 0.038 . 1 . . . A 11 PHE CD2 . 25702 1 130 . 1 1 11 11 PHE CE1 C 13 130.854 0.273 . 1 . . . A 11 PHE CE1 . 25702 1 131 . 1 1 11 11 PHE CE2 C 13 130.854 0.273 . 1 . . . A 11 PHE CE2 . 25702 1 132 . 1 1 11 11 PHE N N 15 120.541 0.025 . 1 . . . A 11 PHE N . 25702 1 133 . 1 1 12 12 ASP H H 1 7.637 0.020 . 1 . . . A 12 ASP H . 25702 1 134 . 1 1 12 12 ASP HA H 1 3.831 0.012 . 1 . . . A 12 ASP HA . 25702 1 135 . 1 1 12 12 ASP HB2 H 1 2.443 0.012 . 2 . . . A 12 ASP HB2 . 25702 1 136 . 1 1 12 12 ASP HB3 H 1 2.478 0.029 . 2 . . . A 12 ASP HB3 . 25702 1 137 . 1 1 12 12 ASP C C 13 178.767 0.000 . 1 . . . A 12 ASP C . 25702 1 138 . 1 1 12 12 ASP CA C 13 57.218 0.054 . 1 . . . A 12 ASP CA . 25702 1 139 . 1 1 12 12 ASP CB C 13 40.299 0.031 . 1 . . . A 12 ASP CB . 25702 1 140 . 1 1 12 12 ASP N N 15 117.847 0.034 . 1 . . . A 12 ASP N . 25702 1 141 . 1 1 13 13 SER H H 1 7.539 0.020 . 1 . . . A 13 SER H . 25702 1 142 . 1 1 13 13 SER HA H 1 4.034 0.010 . 1 . . . A 13 SER HA . 25702 1 143 . 1 1 13 13 SER HB2 H 1 3.725 0.013 . 1 . . . A 13 SER HB2 . 25702 1 144 . 1 1 13 13 SER HB3 H 1 3.721 0.010 . 1 . . . A 13 SER HB3 . 25702 1 145 . 1 1 13 13 SER C C 13 176.341 0.000 . 1 . . . A 13 SER C . 25702 1 146 . 1 1 13 13 SER CA C 13 60.857 0.036 . 1 . . . A 13 SER CA . 25702 1 147 . 1 1 13 13 SER CB C 13 63.144 0.175 . 1 . . . A 13 SER CB . 25702 1 148 . 1 1 13 13 SER N N 15 111.904 0.043 . 1 . . . A 13 SER N . 25702 1 149 . 1 1 14 14 ALA H H 1 7.647 0.019 . 1 . . . A 14 ALA H . 25702 1 150 . 1 1 14 14 ALA HA H 1 4.027 0.011 . 1 . . . A 14 ALA HA . 25702 1 151 . 1 1 14 14 ALA HB1 H 1 1.085 0.013 . 1 . . . A 14 ALA HB1 . 25702 1 152 . 1 1 14 14 ALA HB2 H 1 1.085 0.013 . 1 . . . A 14 ALA HB2 . 25702 1 153 . 1 1 14 14 ALA HB3 H 1 1.085 0.013 . 1 . . . A 14 ALA HB3 . 25702 1 154 . 1 1 14 14 ALA C C 13 180.358 0.000 . 1 . . . A 14 ALA C . 25702 1 155 . 1 1 14 14 ALA CA C 13 54.840 0.020 . 1 . . . A 14 ALA CA . 25702 1 156 . 1 1 14 14 ALA CB C 13 18.826 0.037 . 1 . . . A 14 ALA CB . 25702 1 157 . 1 1 14 14 ALA N N 15 123.793 0.030 . 1 . . . A 14 ALA N . 25702 1 158 . 1 1 15 15 ILE H H 1 7.146 0.012 . 1 . . . A 15 ILE H . 25702 1 159 . 1 1 15 15 ILE HA H 1 3.720 0.005 . 1 . . . A 15 ILE HA . 25702 1 160 . 1 1 15 15 ILE HB H 1 1.042 0.004 . 1 . . . A 15 ILE HB . 25702 1 161 . 1 1 15 15 ILE HG12 H 1 0.606 0.025 . 2 . . . A 15 ILE HG12 . 25702 1 162 . 1 1 15 15 ILE HG13 H 1 0.580 0.025 . 2 . . . A 15 ILE HG13 . 25702 1 163 . 1 1 15 15 ILE HG21 H 1 0.057 0.002 . 1 . . . A 15 ILE HG21 . 25702 1 164 . 1 1 15 15 ILE HG22 H 1 0.057 0.002 . 1 . . . A 15 ILE HG22 . 25702 1 165 . 1 1 15 15 ILE HG23 H 1 0.057 0.002 . 1 . . . A 15 ILE HG23 . 25702 1 166 . 1 1 15 15 ILE HD11 H 1 -0.655 0.006 . 1 . . . A 15 ILE HD11 . 25702 1 167 . 1 1 15 15 ILE HD12 H 1 -0.655 0.006 . 1 . . . A 15 ILE HD12 . 25702 1 168 . 1 1 15 15 ILE HD13 H 1 -0.655 0.006 . 1 . . . A 15 ILE HD13 . 25702 1 169 . 1 1 15 15 ILE C C 13 176.012 0.000 . 1 . . . A 15 ILE C . 25702 1 170 . 1 1 15 15 ILE CA C 13 63.495 0.073 . 1 . . . A 15 ILE CA . 25702 1 171 . 1 1 15 15 ILE CB C 13 37.795 0.020 . 1 . . . A 15 ILE CB . 25702 1 172 . 1 1 15 15 ILE CG1 C 13 25.146 0.043 . 1 . . . A 15 ILE CG1 . 25702 1 173 . 1 1 15 15 ILE CG2 C 13 14.909 0.016 . 1 . . . A 15 ILE CG2 . 25702 1 174 . 1 1 15 15 ILE CD1 C 13 17.017 0.016 . 1 . . . A 15 ILE CD1 . 25702 1 175 . 1 1 15 15 ILE N N 15 106.782 0.008 . 1 . . . A 15 ILE N . 25702 1 176 . 1 1 16 16 ALA H H 1 6.627 0.011 . 1 . . . A 16 ALA H . 25702 1 177 . 1 1 16 16 ALA HA H 1 4.031 0.010 . 1 . . . A 16 ALA HA . 25702 1 178 . 1 1 16 16 ALA HB1 H 1 1.285 0.012 . 1 . . . A 16 ALA HB1 . 25702 1 179 . 1 1 16 16 ALA HB2 H 1 1.285 0.012 . 1 . . . A 16 ALA HB2 . 25702 1 180 . 1 1 16 16 ALA HB3 H 1 1.285 0.012 . 1 . . . A 16 ALA HB3 . 25702 1 181 . 1 1 16 16 ALA C C 13 177.072 0.000 . 1 . . . A 16 ALA C . 25702 1 182 . 1 1 16 16 ALA CA C 13 51.750 0.049 . 1 . . . A 16 ALA CA . 25702 1 183 . 1 1 16 16 ALA CB C 13 18.370 0.056 . 1 . . . A 16 ALA CB . 25702 1 184 . 1 1 16 16 ALA N N 15 122.248 0.009 . 1 . . . A 16 ALA N . 25702 1 185 . 1 1 17 17 GLN H H 1 7.136 0.014 . 1 . . . A 17 GLN H . 25702 1 186 . 1 1 17 17 GLN HA H 1 4.219 0.015 . 1 . . . A 17 GLN HA . 25702 1 187 . 1 1 17 17 GLN HB2 H 1 2.052 0.018 . 2 . . . A 17 GLN HB2 . 25702 1 188 . 1 1 17 17 GLN HB3 H 1 1.765 0.018 . 2 . . . A 17 GLN HB3 . 25702 1 189 . 1 1 17 17 GLN HG2 H 1 2.748 0.034 . 1 . . . A 17 GLN HG2 . 25702 1 190 . 1 1 17 17 GLN HG3 H 1 2.748 0.034 . 1 . . . A 17 GLN HG3 . 25702 1 191 . 1 1 17 17 GLN HE21 H 1 7.074 0.011 . 1 . . . A 17 GLN HE21 . 25702 1 192 . 1 1 17 17 GLN HE22 H 1 7.729 0.018 . 1 . . . A 17 GLN HE22 . 25702 1 193 . 1 1 17 17 GLN CA C 13 55.898 0.020 . 1 . . . A 17 GLN CA . 25702 1 194 . 1 1 17 17 GLN CB C 13 33.964 0.238 . 1 . . . A 17 GLN CB . 25702 1 195 . 1 1 17 17 GLN CG C 13 34.440 0.021 . 1 . . . A 17 GLN CG . 25702 1 196 . 1 1 17 17 GLN N N 15 115.254 0.012 . 1 . . . A 17 GLN N . 25702 1 197 . 1 1 17 17 GLN NE2 N 15 112.292 0.289 . 1 . . . A 17 GLN NE2 . 25702 1 198 . 1 1 18 18 ASP H H 1 8.644 0.006 . 1 . . . A 18 ASP H . 25702 1 199 . 1 1 18 18 ASP HA H 1 4.532 0.007 . 1 . . . A 18 ASP HA . 25702 1 200 . 1 1 18 18 ASP HB2 H 1 2.460 0.012 . 2 . . . A 18 ASP HB2 . 25702 1 201 . 1 1 18 18 ASP HB3 H 1 2.649 0.031 . 2 . . . A 18 ASP HB3 . 25702 1 202 . 1 1 18 18 ASP C C 13 175.348 0.000 . 1 . . . A 18 ASP C . 25702 1 203 . 1 1 18 18 ASP CA C 13 53.510 0.041 . 1 . . . A 18 ASP CA . 25702 1 204 . 1 1 18 18 ASP CB C 13 39.050 0.122 . 1 . . . A 18 ASP CB . 25702 1 205 . 1 1 18 18 ASP N N 15 122.840 0.031 . 1 . . . A 18 ASP N . 25702 1 206 . 1 1 19 19 LYS H H 1 7.939 0.009 . 1 . . . A 19 LYS H . 25702 1 207 . 1 1 19 19 LYS HA H 1 4.383 0.009 . 1 . . . A 19 LYS HA . 25702 1 208 . 1 1 19 19 LYS HB2 H 1 1.751 0.011 . 1 . . . A 19 LYS HB2 . 25702 1 209 . 1 1 19 19 LYS HB3 H 1 1.755 0.012 . 1 . . . A 19 LYS HB3 . 25702 1 210 . 1 1 19 19 LYS HG2 H 1 1.204 0.008 . 1 . . . A 19 LYS HG2 . 25702 1 211 . 1 1 19 19 LYS HG3 H 1 1.202 0.007 . 1 . . . A 19 LYS HG3 . 25702 1 212 . 1 1 19 19 LYS HD2 H 1 1.319 0.000 . 2 . . . A 19 LYS HD2 . 25702 1 213 . 1 1 19 19 LYS HD3 H 1 1.301 0.009 . 1 . . . A 19 LYS HD3 . 25702 1 214 . 1 1 19 19 LYS C C 13 173.289 0.000 . 1 . . . A 19 LYS C . 25702 1 215 . 1 1 19 19 LYS CA C 13 54.721 0.068 . 1 . . . A 19 LYS CA . 25702 1 216 . 1 1 19 19 LYS CB C 13 34.216 0.014 . 1 . . . A 19 LYS CB . 25702 1 217 . 1 1 19 19 LYS CG C 13 22.886 0.046 . 1 . . . A 19 LYS CG . 25702 1 218 . 1 1 19 19 LYS CD C 13 29.655 0.071 . 1 . . . A 19 LYS CD . 25702 1 219 . 1 1 19 19 LYS N N 15 118.503 0.005 . 1 . . . A 19 LYS N . 25702 1 220 . 1 1 20 20 LEU H H 1 8.625 0.015 . 1 . . . A 20 LEU H . 25702 1 221 . 1 1 20 20 LEU HA H 1 4.709 0.013 . 1 . . . A 20 LEU HA . 25702 1 222 . 1 1 20 20 LEU HB2 H 1 1.803 0.009 . 2 . . . A 20 LEU HB2 . 25702 1 223 . 1 1 20 20 LEU HB3 H 1 1.278 0.017 . 2 . . . A 20 LEU HB3 . 25702 1 224 . 1 1 20 20 LEU HD11 H 1 0.742 0.017 . 1 . . . A 20 LEU HD11 . 25702 1 225 . 1 1 20 20 LEU HD12 H 1 0.742 0.017 . 1 . . . A 20 LEU HD12 . 25702 1 226 . 1 1 20 20 LEU HD13 H 1 0.742 0.017 . 1 . . . A 20 LEU HD13 . 25702 1 227 . 1 1 20 20 LEU HD21 H 1 0.726 0.013 . 1 . . . A 20 LEU HD21 . 25702 1 228 . 1 1 20 20 LEU HD22 H 1 0.726 0.013 . 1 . . . A 20 LEU HD22 . 25702 1 229 . 1 1 20 20 LEU HD23 H 1 0.726 0.013 . 1 . . . A 20 LEU HD23 . 25702 1 230 . 1 1 20 20 LEU C C 13 174.429 0.000 . 1 . . . A 20 LEU C . 25702 1 231 . 1 1 20 20 LEU CA C 13 55.787 0.000 . 1 . . . A 20 LEU CA . 25702 1 232 . 1 1 20 20 LEU CB C 13 41.561 0.041 . 1 . . . A 20 LEU CB . 25702 1 233 . 1 1 20 20 LEU CD2 C 13 23.622 0.091 . 1 . . . A 20 LEU CD2 . 25702 1 234 . 1 1 20 20 LEU N N 15 120.813 0.040 . 1 . . . A 20 LEU N . 25702 1 235 . 1 1 21 21 VAL H H 1 9.251 0.022 . 1 . . . A 21 VAL H . 25702 1 236 . 1 1 21 21 VAL HA H 1 4.265 0.005 . 1 . . . A 21 VAL HA . 25702 1 237 . 1 1 21 21 VAL HB H 1 1.873 0.004 . 1 . . . A 21 VAL HB . 25702 1 238 . 1 1 21 21 VAL HG11 H 1 0.808 0.021 . 1 . . . A 21 VAL HG11 . 25702 1 239 . 1 1 21 21 VAL HG12 H 1 0.808 0.021 . 1 . . . A 21 VAL HG12 . 25702 1 240 . 1 1 21 21 VAL HG13 H 1 0.808 0.021 . 1 . . . A 21 VAL HG13 . 25702 1 241 . 1 1 21 21 VAL HG21 H 1 0.832 0.018 . 1 . . . A 21 VAL HG21 . 25702 1 242 . 1 1 21 21 VAL HG22 H 1 0.832 0.018 . 1 . . . A 21 VAL HG22 . 25702 1 243 . 1 1 21 21 VAL HG23 H 1 0.832 0.018 . 1 . . . A 21 VAL HG23 . 25702 1 244 . 1 1 21 21 VAL C C 13 174.618 0.000 . 1 . . . A 21 VAL C . 25702 1 245 . 1 1 21 21 VAL CA C 13 61.583 0.100 . 1 . . . A 21 VAL CA . 25702 1 246 . 1 1 21 21 VAL CB C 13 34.577 0.046 . 1 . . . A 21 VAL CB . 25702 1 247 . 1 1 21 21 VAL CG2 C 13 20.939 0.224 . 1 . . . A 21 VAL CG2 . 25702 1 248 . 1 1 21 21 VAL N N 15 128.813 0.020 . 1 . . . A 21 VAL N . 25702 1 249 . 1 1 22 22 VAL H H 1 8.969 0.015 . 1 . . . A 22 VAL H . 25702 1 250 . 1 1 22 22 VAL HA H 1 4.263 0.004 . 1 . . . A 22 VAL HA . 25702 1 251 . 1 1 22 22 VAL HB H 1 1.908 0.010 . 1 . . . A 22 VAL HB . 25702 1 252 . 1 1 22 22 VAL HG11 H 1 0.892 0.009 . 1 . . . A 22 VAL HG11 . 25702 1 253 . 1 1 22 22 VAL HG12 H 1 0.892 0.009 . 1 . . . A 22 VAL HG12 . 25702 1 254 . 1 1 22 22 VAL HG13 H 1 0.892 0.009 . 1 . . . A 22 VAL HG13 . 25702 1 255 . 1 1 22 22 VAL HG21 H 1 0.876 0.023 . 1 . . . A 22 VAL HG21 . 25702 1 256 . 1 1 22 22 VAL HG22 H 1 0.876 0.023 . 1 . . . A 22 VAL HG22 . 25702 1 257 . 1 1 22 22 VAL HG23 H 1 0.876 0.023 . 1 . . . A 22 VAL HG23 . 25702 1 258 . 1 1 22 22 VAL C C 13 174.802 0.000 . 1 . . . A 22 VAL C . 25702 1 259 . 1 1 22 22 VAL CA C 13 61.642 0.057 . 1 . . . A 22 VAL CA . 25702 1 260 . 1 1 22 22 VAL CB C 13 32.824 0.073 . 1 . . . A 22 VAL CB . 25702 1 261 . 1 1 22 22 VAL CG2 C 13 20.850 0.028 . 1 . . . A 22 VAL CG2 . 25702 1 262 . 1 1 22 22 VAL N N 15 130.243 0.092 . 1 . . . A 22 VAL N . 25702 1 263 . 1 1 23 23 VAL H H 1 9.555 0.012 . 1 . . . A 23 VAL H . 25702 1 264 . 1 1 23 23 VAL HA H 1 4.652 0.014 . 1 . . . A 23 VAL HA . 25702 1 265 . 1 1 23 23 VAL HB H 1 2.427 0.010 . 1 . . . A 23 VAL HB . 25702 1 266 . 1 1 23 23 VAL HG11 H 1 1.056 0.021 . 1 . . . A 23 VAL HG11 . 25702 1 267 . 1 1 23 23 VAL HG12 H 1 1.056 0.021 . 1 . . . A 23 VAL HG12 . 25702 1 268 . 1 1 23 23 VAL HG13 H 1 1.056 0.021 . 1 . . . A 23 VAL HG13 . 25702 1 269 . 1 1 23 23 VAL HG21 H 1 1.050 0.019 . 1 . . . A 23 VAL HG21 . 25702 1 270 . 1 1 23 23 VAL HG22 H 1 1.050 0.019 . 1 . . . A 23 VAL HG22 . 25702 1 271 . 1 1 23 23 VAL HG23 H 1 1.050 0.019 . 1 . . . A 23 VAL HG23 . 25702 1 272 . 1 1 23 23 VAL C C 13 174.086 0.000 . 1 . . . A 23 VAL C . 25702 1 273 . 1 1 23 23 VAL CA C 13 61.783 0.000 . 1 . . . A 23 VAL CA . 25702 1 274 . 1 1 23 23 VAL CB C 13 34.424 0.040 . 1 . . . A 23 VAL CB . 25702 1 275 . 1 1 23 23 VAL CG2 C 13 20.985 0.028 . 1 . . . A 23 VAL CG2 . 25702 1 276 . 1 1 23 23 VAL N N 15 125.526 0.032 . 1 . . . A 23 VAL N . 25702 1 277 . 1 1 24 24 ALA H H 1 9.004 0.016 . 1 . . . A 24 ALA H . 25702 1 278 . 1 1 24 24 ALA HA H 1 5.003 0.011 . 1 . . . A 24 ALA HA . 25702 1 279 . 1 1 24 24 ALA HB1 H 1 1.232 0.024 . 1 . . . A 24 ALA HB1 . 25702 1 280 . 1 1 24 24 ALA HB2 H 1 1.232 0.024 . 1 . . . A 24 ALA HB2 . 25702 1 281 . 1 1 24 24 ALA HB3 H 1 1.232 0.024 . 1 . . . A 24 ALA HB3 . 25702 1 282 . 1 1 24 24 ALA C C 13 175.093 0.000 . 1 . . . A 24 ALA C . 25702 1 283 . 1 1 24 24 ALA CA C 13 51.109 0.031 . 1 . . . A 24 ALA CA . 25702 1 284 . 1 1 24 24 ALA CB C 13 19.543 0.013 . 1 . . . A 24 ALA CB . 25702 1 285 . 1 1 24 24 ALA N N 15 130.468 0.058 . 1 . . . A 24 ALA N . 25702 1 286 . 1 1 25 25 PHE H H 1 9.455 0.010 . 1 . . . A 25 PHE H . 25702 1 287 . 1 1 25 25 PHE HA H 1 5.019 0.005 . 1 . . . A 25 PHE HA . 25702 1 288 . 1 1 25 25 PHE HB2 H 1 2.492 0.018 . 2 . . . A 25 PHE HB2 . 25702 1 289 . 1 1 25 25 PHE HB3 H 1 3.359 0.014 . 2 . . . A 25 PHE HB3 . 25702 1 290 . 1 1 25 25 PHE C C 13 174.794 0.000 . 1 . . . A 25 PHE C . 25702 1 291 . 1 1 25 25 PHE CA C 13 57.620 0.028 . 1 . . . A 25 PHE CA . 25702 1 292 . 1 1 25 25 PHE CB C 13 39.765 0.043 . 1 . . . A 25 PHE CB . 25702 1 293 . 1 1 25 25 PHE N N 15 124.289 0.023 . 1 . . . A 25 PHE N . 25702 1 294 . 1 1 26 26 TYR H H 1 8.908 0.019 . 1 . . . A 26 TYR H . 25702 1 295 . 1 1 26 26 TYR HA H 1 5.351 0.007 . 1 . . . A 26 TYR HA . 25702 1 296 . 1 1 26 26 TYR HB2 H 1 2.735 0.014 . 1 . . . A 26 TYR HB2 . 25702 1 297 . 1 1 26 26 TYR HB3 H 1 2.730 0.010 . 1 . . . A 26 TYR HB3 . 25702 1 298 . 1 1 26 26 TYR HD1 H 1 6.780 0.011 . 1 . . . A 26 TYR HD1 . 25702 1 299 . 1 1 26 26 TYR HD2 H 1 6.780 0.011 . 1 . . . A 26 TYR HD2 . 25702 1 300 . 1 1 26 26 TYR HE1 H 1 6.400 0.009 . 1 . . . A 26 TYR HE1 . 25702 1 301 . 1 1 26 26 TYR HE2 H 1 6.400 0.009 . 1 . . . A 26 TYR HE2 . 25702 1 302 . 1 1 26 26 TYR C C 13 171.352 0.000 . 1 . . . A 26 TYR C . 25702 1 303 . 1 1 26 26 TYR CA C 13 54.831 0.015 . 1 . . . A 26 TYR CA . 25702 1 304 . 1 1 26 26 TYR CB C 13 42.934 0.042 . 1 . . . A 26 TYR CB . 25702 1 305 . 1 1 26 26 TYR CD1 C 13 132.596 0.092 . 1 . . . A 26 TYR CD1 . 25702 1 306 . 1 1 26 26 TYR CD2 C 13 132.596 0.092 . 1 . . . A 26 TYR CD2 . 25702 1 307 . 1 1 26 26 TYR CE1 C 13 117.574 0.021 . 1 . . . A 26 TYR CE1 . 25702 1 308 . 1 1 26 26 TYR CE2 C 13 117.574 0.021 . 1 . . . A 26 TYR CE2 . 25702 1 309 . 1 1 26 26 TYR N N 15 120.967 0.011 . 1 . . . A 26 TYR N . 25702 1 310 . 1 1 27 27 ALA H H 1 6.962 0.010 . 1 . . . A 27 ALA H . 25702 1 311 . 1 1 27 27 ALA HA H 1 4.559 0.010 . 1 . . . A 27 ALA HA . 25702 1 312 . 1 1 27 27 ALA HB1 H 1 0.136 0.018 . 1 . . . A 27 ALA HB1 . 25702 1 313 . 1 1 27 27 ALA HB2 H 1 0.136 0.018 . 1 . . . A 27 ALA HB2 . 25702 1 314 . 1 1 27 27 ALA HB3 H 1 0.136 0.018 . 1 . . . A 27 ALA HB3 . 25702 1 315 . 1 1 27 27 ALA C C 13 179.092 0.000 . 1 . . . A 27 ALA C . 25702 1 316 . 1 1 27 27 ALA CA C 13 50.154 0.029 . 1 . . . A 27 ALA CA . 25702 1 317 . 1 1 27 27 ALA CB C 13 21.950 0.095 . 1 . . . A 27 ALA CB . 25702 1 318 . 1 1 27 27 ALA N N 15 119.133 0.075 . 1 . . . A 27 ALA N . 25702 1 319 . 1 1 28 28 THR H H 1 10.053 0.008 . 1 . . . A 28 THR H . 25702 1 320 . 1 1 28 28 THR HA H 1 3.867 0.020 . 1 . . . A 28 THR HA . 25702 1 321 . 1 1 28 28 THR HB H 1 4.235 0.006 . 1 . . . A 28 THR HB . 25702 1 322 . 1 1 28 28 THR HG21 H 1 1.371 0.005 . 1 . . . A 28 THR HG21 . 25702 1 323 . 1 1 28 28 THR HG22 H 1 1.371 0.005 . 1 . . . A 28 THR HG22 . 25702 1 324 . 1 1 28 28 THR HG23 H 1 1.371 0.005 . 1 . . . A 28 THR HG23 . 25702 1 325 . 1 1 28 28 THR C C 13 174.957 0.000 . 1 . . . A 28 THR C . 25702 1 326 . 1 1 28 28 THR CA C 13 64.820 0.069 . 1 . . . A 28 THR CA . 25702 1 327 . 1 1 28 28 THR CB C 13 69.197 0.016 . 1 . . . A 28 THR CB . 25702 1 328 . 1 1 28 28 THR CG2 C 13 22.173 0.047 . 1 . . . A 28 THR CG2 . 25702 1 329 . 1 1 28 28 THR N N 15 116.784 0.020 . 1 . . . A 28 THR N . 25702 1 330 . 1 1 29 29 TRP H H 1 6.495 0.007 . 1 . . . A 29 TRP H . 25702 1 331 . 1 1 29 29 TRP HA H 1 4.522 0.019 . 1 . . . A 29 TRP HA . 25702 1 332 . 1 1 29 29 TRP HB2 H 1 3.109 0.014 . 2 . . . A 29 TRP HB2 . 25702 1 333 . 1 1 29 29 TRP HB3 H 1 3.622 0.020 . 2 . . . A 29 TRP HB3 . 25702 1 334 . 1 1 29 29 TRP HD1 H 1 7.316 0.014 . 1 . . . A 29 TRP HD1 . 25702 1 335 . 1 1 29 29 TRP HE3 H 1 7.100 0.014 . 1 . . . A 29 TRP HE3 . 25702 1 336 . 1 1 29 29 TRP HZ2 H 1 7.359 0.010 . 1 . . . A 29 TRP HZ2 . 25702 1 337 . 1 1 29 29 TRP HZ3 H 1 7.315 0.008 . 1 . . . A 29 TRP HZ3 . 25702 1 338 . 1 1 29 29 TRP HH2 H 1 7.073 0.008 . 1 . . . A 29 TRP HH2 . 25702 1 339 . 1 1 29 29 TRP C C 13 175.478 0.000 . 1 . . . A 29 TRP C . 25702 1 340 . 1 1 29 29 TRP CA C 13 53.505 0.032 . 1 . . . A 29 TRP CA . 25702 1 341 . 1 1 29 29 TRP CB C 13 29.344 0.018 . 1 . . . A 29 TRP CB . 25702 1 342 . 1 1 29 29 TRP CD1 C 13 128.873 0.102 . 1 . . . A 29 TRP CD1 . 25702 1 343 . 1 1 29 29 TRP CE3 C 13 121.565 0.000 . 1 . . . A 29 TRP CE3 . 25702 1 344 . 1 1 29 29 TRP CZ2 C 13 115.034 0.093 . 1 . . . A 29 TRP CZ2 . 25702 1 345 . 1 1 29 29 TRP CZ3 C 13 121.252 0.000 . 1 . . . A 29 TRP CZ3 . 25702 1 346 . 1 1 29 29 TRP CH2 C 13 124.778 0.000 . 1 . . . A 29 TRP CH2 . 25702 1 347 . 1 1 29 29 TRP N N 15 114.763 0.016 . 1 . . . A 29 TRP N . 25702 1 348 . 1 1 30 30 CYS H H 1 6.484 0.011 . 1 . . . A 30 CYS H . 25702 1 349 . 1 1 30 30 CYS HA H 1 4.491 0.002 . 1 . . . A 30 CYS HA . 25702 1 350 . 1 1 30 30 CYS HB2 H 1 1.683 0.027 . 2 . . . A 30 CYS HB2 . 25702 1 351 . 1 1 30 30 CYS HB3 H 1 2.362 0.013 . 2 . . . A 30 CYS HB3 . 25702 1 352 . 1 1 30 30 CYS CA C 13 58.502 0.031 . 1 . . . A 30 CYS CA . 25702 1 353 . 1 1 30 30 CYS CB C 13 27.648 0.129 . 1 . . . A 30 CYS CB . 25702 1 354 . 1 1 30 30 CYS N N 15 122.729 0.017 . 1 . . . A 30 CYS N . 25702 1 355 . 1 1 33 33 CYS HA H 1 3.960 0.024 . 1 . . . A 33 CYS HA . 25702 1 356 . 1 1 33 33 CYS HB2 H 1 2.743 0.018 . 1 . . . A 33 CYS HB2 . 25702 1 357 . 1 1 33 33 CYS HB3 H 1 2.753 0.014 . 1 . . . A 33 CYS HB3 . 25702 1 358 . 1 1 33 33 CYS C C 13 176.605 0.000 . 1 . . . A 33 CYS C . 25702 1 359 . 1 1 33 33 CYS CA C 13 63.563 0.048 . 1 . . . A 33 CYS CA . 25702 1 360 . 1 1 33 33 CYS CB C 13 28.227 0.057 . 1 . . . A 33 CYS CB . 25702 1 361 . 1 1 34 34 LYS H H 1 7.828 0.032 . 1 . . . A 34 LYS H . 25702 1 362 . 1 1 34 34 LYS HA H 1 3.922 0.013 . 1 . . . A 34 LYS HA . 25702 1 363 . 1 1 34 34 LYS HB2 H 1 1.885 0.024 . 1 . . . A 34 LYS HB2 . 25702 1 364 . 1 1 34 34 LYS HB3 H 1 1.888 0.023 . 1 . . . A 34 LYS HB3 . 25702 1 365 . 1 1 34 34 LYS C C 13 178.623 0.000 . 1 . . . A 34 LYS C . 25702 1 366 . 1 1 34 34 LYS CA C 13 59.122 0.071 . 1 . . . A 34 LYS CA . 25702 1 367 . 1 1 34 34 LYS CB C 13 32.187 0.078 . 1 . . . A 34 LYS CB . 25702 1 368 . 1 1 34 34 LYS N N 15 120.638 0.325 . 1 . . . A 34 LYS N . 25702 1 369 . 1 1 35 35 MET H H 1 7.612 0.020 . 1 . . . A 35 MET H . 25702 1 370 . 1 1 35 35 MET HA H 1 4.230 0.015 . 1 . . . A 35 MET HA . 25702 1 371 . 1 1 35 35 MET HB2 H 1 1.933 0.012 . 1 . . . A 35 MET HB2 . 25702 1 372 . 1 1 35 35 MET HB3 H 1 1.917 0.015 . 1 . . . A 35 MET HB3 . 25702 1 373 . 1 1 35 35 MET HG3 H 1 2.625 0.005 . 1 . . . A 35 MET HG3 . 25702 1 374 . 1 1 35 35 MET HE1 H 1 1.951 0.024 . 1 . . . A 35 MET HE1 . 25702 1 375 . 1 1 35 35 MET HE2 H 1 1.951 0.024 . 1 . . . A 35 MET HE2 . 25702 1 376 . 1 1 35 35 MET HE3 H 1 1.951 0.024 . 1 . . . A 35 MET HE3 . 25702 1 377 . 1 1 35 35 MET C C 13 177.927 0.000 . 1 . . . A 35 MET C . 25702 1 378 . 1 1 35 35 MET CA C 13 56.931 0.099 . 1 . . . A 35 MET CA . 25702 1 379 . 1 1 35 35 MET CB C 13 32.038 0.055 . 1 . . . A 35 MET CB . 25702 1 380 . 1 1 35 35 MET CG C 13 31.905 0.047 . 1 . . . A 35 MET CG . 25702 1 381 . 1 1 35 35 MET CE C 13 17.093 0.082 . 1 . . . A 35 MET CE . 25702 1 382 . 1 1 35 35 MET N N 15 115.754 0.034 . 1 . . . A 35 MET N . 25702 1 383 . 1 1 36 36 ILE H H 1 7.399 0.006 . 1 . . . A 36 ILE H . 25702 1 384 . 1 1 36 36 ILE HA H 1 4.252 0.016 . 1 . . . A 36 ILE HA . 25702 1 385 . 1 1 36 36 ILE HB H 1 1.830 0.010 . 1 . . . A 36 ILE HB . 25702 1 386 . 1 1 36 36 ILE HG12 H 1 1.368 0.032 . 1 . . . A 36 ILE HG12 . 25702 1 387 . 1 1 36 36 ILE HG13 H 1 1.376 0.038 . 1 . . . A 36 ILE HG13 . 25702 1 388 . 1 1 36 36 ILE HD11 H 1 0.829 0.026 . 1 . . . A 36 ILE HD11 . 25702 1 389 . 1 1 36 36 ILE HD12 H 1 0.829 0.026 . 1 . . . A 36 ILE HD12 . 25702 1 390 . 1 1 36 36 ILE HD13 H 1 0.829 0.026 . 1 . . . A 36 ILE HD13 . 25702 1 391 . 1 1 36 36 ILE C C 13 176.681 0.000 . 1 . . . A 36 ILE C . 25702 1 392 . 1 1 36 36 ILE CA C 13 60.143 0.032 . 1 . . . A 36 ILE CA . 25702 1 393 . 1 1 36 36 ILE CB C 13 38.885 0.088 . 1 . . . A 36 ILE CB . 25702 1 394 . 1 1 36 36 ILE CG1 C 13 28.600 0.044 . 1 . . . A 36 ILE CG1 . 25702 1 395 . 1 1 36 36 ILE CD1 C 13 13.950 0.021 . 1 . . . A 36 ILE CD1 . 25702 1 396 . 1 1 36 36 ILE N N 15 114.905 0.011 . 1 . . . A 36 ILE N . 25702 1 397 . 1 1 37 37 ALA H H 1 7.587 0.006 . 1 . . . A 37 ALA H . 25702 1 398 . 1 1 37 37 ALA HA H 1 4.079 0.017 . 1 . . . A 37 ALA HA . 25702 1 399 . 1 1 37 37 ALA HB1 H 1 1.279 0.012 . 1 . . . A 37 ALA HB1 . 25702 1 400 . 1 1 37 37 ALA HB2 H 1 1.279 0.012 . 1 . . . A 37 ALA HB2 . 25702 1 401 . 1 1 37 37 ALA HB3 H 1 1.279 0.012 . 1 . . . A 37 ALA HB3 . 25702 1 402 . 1 1 37 37 ALA CA C 13 57.071 0.028 . 1 . . . A 37 ALA CA . 25702 1 403 . 1 1 37 37 ALA CB C 13 15.458 0.030 . 1 . . . A 37 ALA CB . 25702 1 404 . 1 1 37 37 ALA N N 15 125.154 0.062 . 1 . . . A 37 ALA N . 25702 1 405 . 1 1 38 38 PRO HA H 1 4.239 0.006 . 1 . . . A 38 PRO HA . 25702 1 406 . 1 1 38 38 PRO HB2 H 1 2.201 0.015 . 1 . . . A 38 PRO HB2 . 25702 1 407 . 1 1 38 38 PRO HB3 H 1 2.205 0.015 . 1 . . . A 38 PRO HB3 . 25702 1 408 . 1 1 38 38 PRO HD2 H 1 4.006 0.003 . 1 . . . A 38 PRO HD2 . 25702 1 409 . 1 1 38 38 PRO HD3 H 1 4.006 0.003 . 1 . . . A 38 PRO HD3 . 25702 1 410 . 1 1 38 38 PRO C C 13 179.456 0.000 . 1 . . . A 38 PRO C . 25702 1 411 . 1 1 38 38 PRO CA C 13 65.187 0.059 . 1 . . . A 38 PRO CA . 25702 1 412 . 1 1 38 38 PRO CB C 13 30.763 0.024 . 1 . . . A 38 PRO CB . 25702 1 413 . 1 1 38 38 PRO CD C 13 50.756 0.014 . 1 . . . A 38 PRO CD . 25702 1 414 . 1 1 39 39 MET H H 1 7.051 0.014 . 1 . . . A 39 MET H . 25702 1 415 . 1 1 39 39 MET HA H 1 3.854 0.020 . 1 . . . A 39 MET HA . 25702 1 416 . 1 1 39 39 MET HB2 H 1 2.395 0.014 . 1 . . . A 39 MET HB2 . 25702 1 417 . 1 1 39 39 MET HB3 H 1 2.396 0.013 . 1 . . . A 39 MET HB3 . 25702 1 418 . 1 1 39 39 MET HE1 H 1 1.805 0.010 . 1 . . . A 39 MET HE1 . 25702 1 419 . 1 1 39 39 MET HE2 H 1 1.805 0.010 . 1 . . . A 39 MET HE2 . 25702 1 420 . 1 1 39 39 MET HE3 H 1 1.805 0.010 . 1 . . . A 39 MET HE3 . 25702 1 421 . 1 1 39 39 MET C C 13 177.388 0.000 . 1 . . . A 39 MET C . 25702 1 422 . 1 1 39 39 MET CA C 13 57.916 0.008 . 1 . . . A 39 MET CA . 25702 1 423 . 1 1 39 39 MET CB C 13 32.238 0.210 . 1 . . . A 39 MET CB . 25702 1 424 . 1 1 39 39 MET CE C 13 18.633 0.028 . 1 . . . A 39 MET CE . 25702 1 425 . 1 1 39 39 MET N N 15 117.231 0.018 . 1 . . . A 39 MET N . 25702 1 426 . 1 1 40 40 ILE H H 1 7.825 0.009 . 1 . . . A 40 ILE H . 25702 1 427 . 1 1 40 40 ILE HA H 1 3.675 0.028 . 1 . . . A 40 ILE HA . 25702 1 428 . 1 1 40 40 ILE HB H 1 2.085 0.013 . 1 . . . A 40 ILE HB . 25702 1 429 . 1 1 40 40 ILE HD11 H 1 0.947 0.036 . 1 . . . A 40 ILE HD11 . 25702 1 430 . 1 1 40 40 ILE HD12 H 1 0.947 0.036 . 1 . . . A 40 ILE HD12 . 25702 1 431 . 1 1 40 40 ILE HD13 H 1 0.947 0.036 . 1 . . . A 40 ILE HD13 . 25702 1 432 . 1 1 40 40 ILE C C 13 177.699 0.000 . 1 . . . A 40 ILE C . 25702 1 433 . 1 1 40 40 ILE CA C 13 63.669 0.056 . 1 . . . A 40 ILE CA . 25702 1 434 . 1 1 40 40 ILE CB C 13 35.771 0.048 . 1 . . . A 40 ILE CB . 25702 1 435 . 1 1 40 40 ILE CD1 C 13 18.109 0.178 . 1 . . . A 40 ILE CD1 . 25702 1 436 . 1 1 40 40 ILE N N 15 117.419 0.043 . 1 . . . A 40 ILE N . 25702 1 437 . 1 1 41 41 GLU H H 1 7.475 0.011 . 1 . . . A 41 GLU H . 25702 1 438 . 1 1 41 41 GLU HA H 1 3.586 0.016 . 1 . . . A 41 GLU HA . 25702 1 439 . 1 1 41 41 GLU HB2 H 1 1.901 0.015 . 1 . . . A 41 GLU HB2 . 25702 1 440 . 1 1 41 41 GLU HB3 H 1 1.905 0.016 . 1 . . . A 41 GLU HB3 . 25702 1 441 . 1 1 41 41 GLU HG2 H 1 2.091 0.011 . 1 . . . A 41 GLU HG2 . 25702 1 442 . 1 1 41 41 GLU HG3 H 1 2.090 0.012 . 1 . . . A 41 GLU HG3 . 25702 1 443 . 1 1 41 41 GLU C C 13 180.065 0.000 . 1 . . . A 41 GLU C . 25702 1 444 . 1 1 41 41 GLU CA C 13 59.407 0.019 . 1 . . . A 41 GLU CA . 25702 1 445 . 1 1 41 41 GLU CB C 13 28.474 0.131 . 1 . . . A 41 GLU CB . 25702 1 446 . 1 1 41 41 GLU CG C 13 36.099 0.197 . 1 . . . A 41 GLU CG . 25702 1 447 . 1 1 41 41 GLU N N 15 119.014 0.021 . 1 . . . A 41 GLU N . 25702 1 448 . 1 1 42 42 LYS H H 1 7.402 0.024 . 1 . . . A 42 LYS H . 25702 1 449 . 1 1 42 42 LYS HA H 1 3.917 0.009 . 1 . . . A 42 LYS HA . 25702 1 450 . 1 1 42 42 LYS HB2 H 1 1.672 0.030 . 1 . . . A 42 LYS HB2 . 25702 1 451 . 1 1 42 42 LYS HB3 H 1 1.695 0.023 . 1 . . . A 42 LYS HB3 . 25702 1 452 . 1 1 42 42 LYS C C 13 179.895 0.000 . 1 . . . A 42 LYS C . 25702 1 453 . 1 1 42 42 LYS CA C 13 59.034 0.067 . 1 . . . A 42 LYS CA . 25702 1 454 . 1 1 42 42 LYS CB C 13 30.845 0.119 . 1 . . . A 42 LYS CB . 25702 1 455 . 1 1 42 42 LYS N N 15 120.988 0.042 . 1 . . . A 42 LYS N . 25702 1 456 . 1 1 43 43 PHE H H 1 8.270 0.006 . 1 . . . A 43 PHE H . 25702 1 457 . 1 1 43 43 PHE HA H 1 3.164 0.037 . 1 . . . A 43 PHE HA . 25702 1 458 . 1 1 43 43 PHE HB2 H 1 3.002 0.017 . 2 . . . A 43 PHE HB2 . 25702 1 459 . 1 1 43 43 PHE HB3 H 1 3.163 0.020 . 2 . . . A 43 PHE HB3 . 25702 1 460 . 1 1 43 43 PHE HD1 H 1 7.151 0.023 . 1 . . . A 43 PHE HD1 . 25702 1 461 . 1 1 43 43 PHE HD2 H 1 7.151 0.023 . 1 . . . A 43 PHE HD2 . 25702 1 462 . 1 1 43 43 PHE C C 13 177.806 0.000 . 1 . . . A 43 PHE C . 25702 1 463 . 1 1 43 43 PHE CA C 13 60.022 0.033 . 1 . . . A 43 PHE CA . 25702 1 464 . 1 1 43 43 PHE CB C 13 37.420 0.035 . 1 . . . A 43 PHE CB . 25702 1 465 . 1 1 43 43 PHE CD1 C 13 130.863 0.132 . 1 . . . A 43 PHE CD1 . 25702 1 466 . 1 1 43 43 PHE CD2 C 13 130.863 0.132 . 1 . . . A 43 PHE CD2 . 25702 1 467 . 1 1 43 43 PHE N N 15 118.946 0.042 . 1 . . . A 43 PHE N . 25702 1 468 . 1 1 44 44 SER H H 1 7.763 0.009 . 1 . . . A 44 SER H . 25702 1 469 . 1 1 44 44 SER HA H 1 2.873 0.025 . 1 . . . A 44 SER HA . 25702 1 470 . 1 1 44 44 SER HB2 H 1 2.816 0.013 . 2 . . . A 44 SER HB2 . 25702 1 471 . 1 1 44 44 SER HB3 H 1 3.196 0.028 . 2 . . . A 44 SER HB3 . 25702 1 472 . 1 1 44 44 SER C C 13 175.522 0.000 . 1 . . . A 44 SER C . 25702 1 473 . 1 1 44 44 SER CA C 13 60.173 0.000 . 1 . . . A 44 SER CA . 25702 1 474 . 1 1 44 44 SER CB C 13 61.911 0.119 . 1 . . . A 44 SER CB . 25702 1 475 . 1 1 44 44 SER N N 15 116.035 0.021 . 1 . . . A 44 SER N . 25702 1 476 . 1 1 45 45 GLU H H 1 6.888 0.009 . 1 . . . A 45 GLU H . 25702 1 477 . 1 1 45 45 GLU HA H 1 4.059 0.015 . 1 . . . A 45 GLU HA . 25702 1 478 . 1 1 45 45 GLU HB2 H 1 1.991 0.044 . 1 . . . A 45 GLU HB2 . 25702 1 479 . 1 1 45 45 GLU HB3 H 1 2.025 0.016 . 1 . . . A 45 GLU HB3 . 25702 1 480 . 1 1 45 45 GLU HG2 H 1 2.025 0.005 . 1 . . . A 45 GLU HG2 . 25702 1 481 . 1 1 45 45 GLU HG3 H 1 2.028 0.000 . 1 . . . A 45 GLU HG3 . 25702 1 482 . 1 1 45 45 GLU C C 13 177.798 0.000 . 1 . . . A 45 GLU C . 25702 1 483 . 1 1 45 45 GLU CA C 13 57.303 0.068 . 1 . . . A 45 GLU CA . 25702 1 484 . 1 1 45 45 GLU CB C 13 29.637 0.108 . 1 . . . A 45 GLU CB . 25702 1 485 . 1 1 45 45 GLU CG C 13 32.868 0.004 . 1 . . . A 45 GLU CG . 25702 1 486 . 1 1 45 45 GLU N N 15 120.563 0.026 . 1 . . . A 45 GLU N . 25702 1 487 . 1 1 46 46 GLN H H 1 7.451 0.012 . 1 . . . A 46 GLN H . 25702 1 488 . 1 1 46 46 GLN HA H 1 3.927 0.009 . 1 . . . A 46 GLN HA . 25702 1 489 . 1 1 46 46 GLN HB2 H 1 2.026 0.011 . 1 . . . A 46 GLN HB2 . 25702 1 490 . 1 1 46 46 GLN HB3 H 1 2.026 0.012 . 1 . . . A 46 GLN HB3 . 25702 1 491 . 1 1 46 46 GLN HG2 H 1 2.026 0.010 . 2 . . . A 46 GLN HG2 . 25702 1 492 . 1 1 46 46 GLN HG3 H 1 2.311 0.015 . 2 . . . A 46 GLN HG3 . 25702 1 493 . 1 1 46 46 GLN C C 13 175.422 0.000 . 1 . . . A 46 GLN C . 25702 1 494 . 1 1 46 46 GLN CA C 13 57.033 0.025 . 1 . . . A 46 GLN CA . 25702 1 495 . 1 1 46 46 GLN CB C 13 29.690 0.060 . 1 . . . A 46 GLN CB . 25702 1 496 . 1 1 46 46 GLN CG C 13 33.867 0.151 . 1 . . . A 46 GLN CG . 25702 1 497 . 1 1 46 46 GLN N N 15 118.400 0.048 . 1 . . . A 46 GLN N . 25702 1 498 . 1 1 47 47 TYR H H 1 7.433 0.012 . 1 . . . A 47 TYR H . 25702 1 499 . 1 1 47 47 TYR HA H 1 4.983 0.018 . 1 . . . A 47 TYR HA . 25702 1 500 . 1 1 47 47 TYR HB2 H 1 2.925 0.017 . 1 . . . A 47 TYR HB2 . 25702 1 501 . 1 1 47 47 TYR HB3 H 1 2.927 0.019 . 1 . . . A 47 TYR HB3 . 25702 1 502 . 1 1 47 47 TYR HD1 H 1 7.201 0.016 . 1 . . . A 47 TYR HD1 . 25702 1 503 . 1 1 47 47 TYR HD2 H 1 7.201 0.016 . 1 . . . A 47 TYR HD2 . 25702 1 504 . 1 1 47 47 TYR HE1 H 1 6.580 0.003 . 1 . . . A 47 TYR HE1 . 25702 1 505 . 1 1 47 47 TYR HE2 H 1 6.580 0.003 . 1 . . . A 47 TYR HE2 . 25702 1 506 . 1 1 47 47 TYR CA C 13 56.084 0.059 . 1 . . . A 47 TYR CA . 25702 1 507 . 1 1 47 47 TYR CB C 13 38.074 0.174 . 1 . . . A 47 TYR CB . 25702 1 508 . 1 1 47 47 TYR CD1 C 13 133.758 0.049 . 1 . . . A 47 TYR CD1 . 25702 1 509 . 1 1 47 47 TYR CD2 C 13 133.758 0.049 . 1 . . . A 47 TYR CD2 . 25702 1 510 . 1 1 47 47 TYR CE1 C 13 117.165 0.041 . 1 . . . A 47 TYR CE1 . 25702 1 511 . 1 1 47 47 TYR CE2 C 13 117.165 0.041 . 1 . . . A 47 TYR CE2 . 25702 1 512 . 1 1 47 47 TYR N N 15 115.979 0.014 . 1 . . . A 47 TYR N . 25702 1 513 . 1 1 48 48 PRO HA H 1 4.711 0.013 . 1 . . . A 48 PRO HA . 25702 1 514 . 1 1 48 48 PRO HB2 H 1 2.262 0.009 . 2 . . . A 48 PRO HB2 . 25702 1 515 . 1 1 48 48 PRO HB3 H 1 2.037 0.007 . 2 . . . A 48 PRO HB3 . 25702 1 516 . 1 1 48 48 PRO HD2 H 1 3.524 0.004 . 1 . . . A 48 PRO HD2 . 25702 1 517 . 1 1 48 48 PRO HD3 H 1 3.524 0.004 . 1 . . . A 48 PRO HD3 . 25702 1 518 . 1 1 48 48 PRO C C 13 177.453 0.000 . 1 . . . A 48 PRO C . 25702 1 519 . 1 1 48 48 PRO CA C 13 64.294 0.000 . 1 . . . A 48 PRO CA . 25702 1 520 . 1 1 48 48 PRO CB C 13 31.870 0.097 . 1 . . . A 48 PRO CB . 25702 1 521 . 1 1 48 48 PRO CD C 13 49.962 0.031 . 1 . . . A 48 PRO CD . 25702 1 522 . 1 1 49 49 GLN H H 1 9.617 0.004 . 1 . . . A 49 GLN H . 25702 1 523 . 1 1 49 49 GLN HA H 1 4.360 0.019 . 1 . . . A 49 GLN HA . 25702 1 524 . 1 1 49 49 GLN HB2 H 1 2.118 0.028 . 2 . . . A 49 GLN HB2 . 25702 1 525 . 1 1 49 49 GLN HB3 H 1 2.211 0.028 . 2 . . . A 49 GLN HB3 . 25702 1 526 . 1 1 49 49 GLN HG2 H 1 2.623 0.011 . 1 . . . A 49 GLN HG2 . 25702 1 527 . 1 1 49 49 GLN HG3 H 1 2.623 0.010 . 1 . . . A 49 GLN HG3 . 25702 1 528 . 1 1 49 49 GLN HE21 H 1 7.722 0.006 . 1 . . . A 49 GLN HE21 . 25702 1 529 . 1 1 49 49 GLN HE22 H 1 7.359 0.009 . 1 . . . A 49 GLN HE22 . 25702 1 530 . 1 1 49 49 GLN C C 13 174.990 0.000 . 1 . . . A 49 GLN C . 25702 1 531 . 1 1 49 49 GLN CA C 13 56.460 0.098 . 1 . . . A 49 GLN CA . 25702 1 532 . 1 1 49 49 GLN CB C 13 27.779 0.097 . 1 . . . A 49 GLN CB . 25702 1 533 . 1 1 49 49 GLN CG C 13 33.297 0.020 . 1 . . . A 49 GLN CG . 25702 1 534 . 1 1 49 49 GLN N N 15 119.035 0.011 . 1 . . . A 49 GLN N . 25702 1 535 . 1 1 49 49 GLN NE2 N 15 111.733 0.293 . 1 . . . A 49 GLN NE2 . 25702 1 536 . 1 1 50 50 ALA H H 1 8.170 0.006 . 1 . . . A 50 ALA H . 25702 1 537 . 1 1 50 50 ALA HA H 1 5.047 0.022 . 1 . . . A 50 ALA HA . 25702 1 538 . 1 1 50 50 ALA HB1 H 1 1.195 0.014 . 1 . . . A 50 ALA HB1 . 25702 1 539 . 1 1 50 50 ALA HB2 H 1 1.195 0.014 . 1 . . . A 50 ALA HB2 . 25702 1 540 . 1 1 50 50 ALA HB3 H 1 1.195 0.014 . 1 . . . A 50 ALA HB3 . 25702 1 541 . 1 1 50 50 ALA C C 13 175.173 0.000 . 1 . . . A 50 ALA C . 25702 1 542 . 1 1 50 50 ALA CA C 13 50.049 0.037 . 1 . . . A 50 ALA CA . 25702 1 543 . 1 1 50 50 ALA CB C 13 22.166 0.083 . 1 . . . A 50 ALA CB . 25702 1 544 . 1 1 50 50 ALA N N 15 127.008 0.008 . 1 . . . A 50 ALA N . 25702 1 545 . 1 1 51 51 ASP H H 1 8.411 0.012 . 1 . . . A 51 ASP H . 25702 1 546 . 1 1 51 51 ASP HA H 1 5.105 0.006 . 1 . . . A 51 ASP HA . 25702 1 547 . 1 1 51 51 ASP HB2 H 1 2.528 0.017 . 2 . . . A 51 ASP HB2 . 25702 1 548 . 1 1 51 51 ASP HB3 H 1 2.644 0.022 . 2 . . . A 51 ASP HB3 . 25702 1 549 . 1 1 51 51 ASP C C 13 174.707 0.000 . 1 . . . A 51 ASP C . 25702 1 550 . 1 1 51 51 ASP CA C 13 53.004 0.053 . 1 . . . A 51 ASP CA . 25702 1 551 . 1 1 51 51 ASP CB C 13 44.273 0.027 . 1 . . . A 51 ASP CB . 25702 1 552 . 1 1 51 51 ASP N N 15 120.039 0.015 . 1 . . . A 51 ASP N . 25702 1 553 . 1 1 52 52 PHE H H 1 8.943 0.020 . 1 . . . A 52 PHE H . 25702 1 554 . 1 1 52 52 PHE HA H 1 5.179 0.008 . 1 . . . A 52 PHE HA . 25702 1 555 . 1 1 52 52 PHE HB2 H 1 2.503 0.011 . 2 . . . A 52 PHE HB2 . 25702 1 556 . 1 1 52 52 PHE HB3 H 1 3.268 0.006 . 2 . . . A 52 PHE HB3 . 25702 1 557 . 1 1 52 52 PHE HE1 H 1 6.768 0.000 . 1 . . . A 52 PHE HE1 . 25702 1 558 . 1 1 52 52 PHE HE2 H 1 6.768 0.000 . 1 . . . A 52 PHE HE2 . 25702 1 559 . 1 1 52 52 PHE C C 13 174.633 0.000 . 1 . . . A 52 PHE C . 25702 1 560 . 1 1 52 52 PHE CA C 13 56.712 0.057 . 1 . . . A 52 PHE CA . 25702 1 561 . 1 1 52 52 PHE CB C 13 41.874 0.068 . 1 . . . A 52 PHE CB . 25702 1 562 . 1 1 52 52 PHE CE1 C 13 132.152 0.000 . 1 . . . A 52 PHE CE1 . 25702 1 563 . 1 1 52 52 PHE CE2 C 13 132.152 0.000 . 1 . . . A 52 PHE CE2 . 25702 1 564 . 1 1 52 52 PHE N N 15 120.670 0.193 . 1 . . . A 52 PHE N . 25702 1 565 . 1 1 53 53 TYR H H 1 9.336 0.010 . 1 . . . A 53 TYR H . 25702 1 566 . 1 1 53 53 TYR HA H 1 5.477 0.011 . 1 . . . A 53 TYR HA . 25702 1 567 . 1 1 53 53 TYR HB2 H 1 2.135 0.031 . 2 . . . A 53 TYR HB2 . 25702 1 568 . 1 1 53 53 TYR HB3 H 1 2.049 0.017 . 2 . . . A 53 TYR HB3 . 25702 1 569 . 1 1 53 53 TYR HD1 H 1 6.263 0.006 . 1 . . . A 53 TYR HD1 . 25702 1 570 . 1 1 53 53 TYR HD2 H 1 6.263 0.006 . 1 . . . A 53 TYR HD2 . 25702 1 571 . 1 1 53 53 TYR HE1 H 1 6.489 0.004 . 1 . . . A 53 TYR HE1 . 25702 1 572 . 1 1 53 53 TYR HE2 H 1 6.489 0.004 . 1 . . . A 53 TYR HE2 . 25702 1 573 . 1 1 53 53 TYR C C 13 174.507 0.000 . 1 . . . A 53 TYR C . 25702 1 574 . 1 1 53 53 TYR CA C 13 55.713 0.012 . 1 . . . A 53 TYR CA . 25702 1 575 . 1 1 53 53 TYR CB C 13 45.842 0.028 . 1 . . . A 53 TYR CB . 25702 1 576 . 1 1 53 53 TYR CD1 C 13 133.800 0.037 . 1 . . . A 53 TYR CD1 . 25702 1 577 . 1 1 53 53 TYR CD2 C 13 133.800 0.037 . 1 . . . A 53 TYR CD2 . 25702 1 578 . 1 1 53 53 TYR CE1 C 13 117.755 0.022 . 1 . . . A 53 TYR CE1 . 25702 1 579 . 1 1 53 53 TYR CE2 C 13 117.755 0.022 . 1 . . . A 53 TYR CE2 . 25702 1 580 . 1 1 53 53 TYR N N 15 120.949 0.025 . 1 . . . A 53 TYR N . 25702 1 581 . 1 1 54 54 LYS H H 1 8.451 0.012 . 1 . . . A 54 LYS H . 25702 1 582 . 1 1 54 54 LYS HA H 1 5.499 0.010 . 1 . . . A 54 LYS HA . 25702 1 583 . 1 1 54 54 LYS HB2 H 1 1.616 0.130 . 1 . . . A 54 LYS HB2 . 25702 1 584 . 1 1 54 54 LYS HB3 H 1 1.448 0.003 . 1 . . . A 54 LYS HB3 . 25702 1 585 . 1 1 54 54 LYS C C 13 173.200 0.000 . 1 . . . A 54 LYS C . 25702 1 586 . 1 1 54 54 LYS CA C 13 53.495 0.072 . 1 . . . A 54 LYS CA . 25702 1 587 . 1 1 54 54 LYS CB C 13 35.956 0.078 . 1 . . . A 54 LYS CB . 25702 1 588 . 1 1 54 54 LYS N N 15 115.771 0.007 . 1 . . . A 54 LYS N . 25702 1 589 . 1 1 55 55 LEU H H 1 8.783 0.011 . 1 . . . A 55 LEU H . 25702 1 590 . 1 1 55 55 LEU HA H 1 4.471 0.016 . 1 . . . A 55 LEU HA . 25702 1 591 . 1 1 55 55 LEU HB2 H 1 1.196 0.024 . 2 . . . A 55 LEU HB2 . 25702 1 592 . 1 1 55 55 LEU HB3 H 1 1.188 0.025 . 2 . . . A 55 LEU HB3 . 25702 1 593 . 1 1 55 55 LEU HG H 1 1.409 0.009 . 1 . . . A 55 LEU HG . 25702 1 594 . 1 1 55 55 LEU HD11 H 1 0.525 0.016 . 1 . . . A 55 LEU HD11 . 25702 1 595 . 1 1 55 55 LEU HD12 H 1 0.525 0.016 . 1 . . . A 55 LEU HD12 . 25702 1 596 . 1 1 55 55 LEU HD13 H 1 0.525 0.016 . 1 . . . A 55 LEU HD13 . 25702 1 597 . 1 1 55 55 LEU HD21 H 1 0.512 0.012 . 1 . . . A 55 LEU HD21 . 25702 1 598 . 1 1 55 55 LEU HD22 H 1 0.512 0.012 . 1 . . . A 55 LEU HD22 . 25702 1 599 . 1 1 55 55 LEU HD23 H 1 0.512 0.012 . 1 . . . A 55 LEU HD23 . 25702 1 600 . 1 1 55 55 LEU C C 13 172.053 0.000 . 1 . . . A 55 LEU C . 25702 1 601 . 1 1 55 55 LEU CA C 13 55.386 0.022 . 1 . . . A 55 LEU CA . 25702 1 602 . 1 1 55 55 LEU CB C 13 45.813 0.027 . 1 . . . A 55 LEU CB . 25702 1 603 . 1 1 55 55 LEU CG C 13 26.876 0.228 . 1 . . . A 55 LEU CG . 25702 1 604 . 1 1 55 55 LEU CD2 C 13 24.678 0.037 . 1 . . . A 55 LEU CD2 . 25702 1 605 . 1 1 55 55 LEU N N 15 123.037 0.012 . 1 . . . A 55 LEU N . 25702 1 606 . 1 1 56 56 ASP H H 1 8.580 0.029 . 1 . . . A 56 ASP H . 25702 1 607 . 1 1 56 56 ASP HA H 1 4.157 0.009 . 1 . . . A 56 ASP HA . 25702 1 608 . 1 1 56 56 ASP HB2 H 1 2.187 0.030 . 2 . . . A 56 ASP HB2 . 25702 1 609 . 1 1 56 56 ASP HB3 H 1 2.734 0.014 . 2 . . . A 56 ASP HB3 . 25702 1 610 . 1 1 56 56 ASP C C 13 178.219 0.000 . 1 . . . A 56 ASP C . 25702 1 611 . 1 1 56 56 ASP CA C 13 52.242 0.020 . 1 . . . A 56 ASP CA . 25702 1 612 . 1 1 56 56 ASP CB C 13 40.748 0.064 . 1 . . . A 56 ASP CB . 25702 1 613 . 1 1 56 56 ASP N N 15 126.250 0.013 . 1 . . . A 56 ASP N . 25702 1 614 . 1 1 57 57 VAL H H 1 8.767 0.011 . 1 . . . A 57 VAL H . 25702 1 615 . 1 1 57 57 VAL HA H 1 3.416 0.021 . 1 . . . A 57 VAL HA . 25702 1 616 . 1 1 57 57 VAL HG11 H 1 0.938 0.022 . 1 . . . A 57 VAL HG11 . 25702 1 617 . 1 1 57 57 VAL HG12 H 1 0.938 0.022 . 1 . . . A 57 VAL HG12 . 25702 1 618 . 1 1 57 57 VAL HG13 H 1 0.938 0.022 . 1 . . . A 57 VAL HG13 . 25702 1 619 . 1 1 57 57 VAL C C 13 175.672 0.000 . 1 . . . A 57 VAL C . 25702 1 620 . 1 1 57 57 VAL CA C 13 64.696 0.112 . 1 . . . A 57 VAL CA . 25702 1 621 . 1 1 57 57 VAL CB C 13 31.003 0.000 . 1 . . . A 57 VAL CB . 25702 1 622 . 1 1 57 57 VAL CG1 C 13 19.522 0.000 . 1 . . . A 57 VAL CG1 . 25702 1 623 . 1 1 57 57 VAL N N 15 123.015 0.007 . 1 . . . A 57 VAL N . 25702 1 624 . 1 1 58 58 ASP H H 1 8.653 0.003 . 1 . . . A 58 ASP H . 25702 1 625 . 1 1 58 58 ASP HA H 1 4.695 0.018 . 1 . . . A 58 ASP HA . 25702 1 626 . 1 1 58 58 ASP HB2 H 1 2.738 0.020 . 1 . . . A 58 ASP HB2 . 25702 1 627 . 1 1 58 58 ASP HB3 H 1 2.742 0.016 . 1 . . . A 58 ASP HB3 . 25702 1 628 . 1 1 58 58 ASP C C 13 177.541 0.000 . 1 . . . A 58 ASP C . 25702 1 629 . 1 1 58 58 ASP CA C 13 56.159 0.081 . 1 . . . A 58 ASP CA . 25702 1 630 . 1 1 58 58 ASP CB C 13 40.470 0.014 . 1 . . . A 58 ASP CB . 25702 1 631 . 1 1 58 58 ASP N N 15 118.536 0.012 . 1 . . . A 58 ASP N . 25702 1 632 . 1 1 59 59 GLU H H 1 7.596 0.014 . 1 . . . A 59 GLU H . 25702 1 633 . 1 1 59 59 GLU HA H 1 4.353 0.022 . 1 . . . A 59 GLU HA . 25702 1 634 . 1 1 59 59 GLU HB2 H 1 2.067 0.016 . 1 . . . A 59 GLU HB2 . 25702 1 635 . 1 1 59 59 GLU HB3 H 1 2.100 0.024 . 1 . . . A 59 GLU HB3 . 25702 1 636 . 1 1 59 59 GLU C C 13 177.106 0.000 . 1 . . . A 59 GLU C . 25702 1 637 . 1 1 59 59 GLU CA C 13 57.369 0.008 . 1 . . . A 59 GLU CA . 25702 1 638 . 1 1 59 59 GLU CB C 13 31.700 0.106 . 1 . . . A 59 GLU CB . 25702 1 639 . 1 1 59 59 GLU N N 15 119.610 0.235 . 1 . . . A 59 GLU N . 25702 1 640 . 1 1 60 60 LEU H H 1 7.689 0.017 . 1 . . . A 60 LEU H . 25702 1 641 . 1 1 60 60 LEU HA H 1 4.912 0.009 . 1 . . . A 60 LEU HA . 25702 1 642 . 1 1 60 60 LEU HB2 H 1 1.321 0.023 . 2 . . . A 60 LEU HB2 . 25702 1 643 . 1 1 60 60 LEU HB3 H 1 1.426 0.018 . 2 . . . A 60 LEU HB3 . 25702 1 644 . 1 1 60 60 LEU C C 13 177.050 0.000 . 1 . . . A 60 LEU C . 25702 1 645 . 1 1 60 60 LEU CA C 13 52.364 0.152 . 1 . . . A 60 LEU CA . 25702 1 646 . 1 1 60 60 LEU CB C 13 41.622 0.056 . 1 . . . A 60 LEU CB . 25702 1 647 . 1 1 60 60 LEU N N 15 121.513 0.010 . 1 . . . A 60 LEU N . 25702 1 648 . 1 1 61 61 GLY H H 1 8.218 0.006 . 1 . . . A 61 GLY H . 25702 1 649 . 1 1 61 61 GLY HA2 H 1 3.742 0.011 . 2 . . . A 61 GLY HA2 . 25702 1 650 . 1 1 61 61 GLY HA3 H 1 3.928 0.009 . 2 . . . A 61 GLY HA3 . 25702 1 651 . 1 1 61 61 GLY C C 13 176.313 0.000 . 1 . . . A 61 GLY C . 25702 1 652 . 1 1 61 61 GLY CA C 13 48.223 0.067 . 1 . . . A 61 GLY CA . 25702 1 653 . 1 1 61 61 GLY N N 15 111.170 0.040 . 1 . . . A 61 GLY N . 25702 1 654 . 1 1 62 62 ASP H H 1 9.141 0.003 . 1 . . . A 62 ASP H . 25702 1 655 . 1 1 62 62 ASP HA H 1 4.318 0.022 . 1 . . . A 62 ASP HA . 25702 1 656 . 1 1 62 62 ASP HB2 H 1 2.564 0.030 . 2 . . . A 62 ASP HB2 . 25702 1 657 . 1 1 62 62 ASP HB3 H 1 2.472 0.006 . 2 . . . A 62 ASP HB3 . 25702 1 658 . 1 1 62 62 ASP C C 13 178.935 0.000 . 1 . . . A 62 ASP C . 25702 1 659 . 1 1 62 62 ASP CA C 13 56.679 0.095 . 1 . . . A 62 ASP CA . 25702 1 660 . 1 1 62 62 ASP CB C 13 39.263 0.105 . 1 . . . A 62 ASP CB . 25702 1 661 . 1 1 62 62 ASP N N 15 119.711 0.012 . 1 . . . A 62 ASP N . 25702 1 662 . 1 1 63 63 VAL H H 1 7.275 0.020 . 1 . . . A 63 VAL H . 25702 1 663 . 1 1 63 63 VAL HA H 1 3.323 0.018 . 1 . . . A 63 VAL HA . 25702 1 664 . 1 1 63 63 VAL HB H 1 1.871 0.017 . 1 . . . A 63 VAL HB . 25702 1 665 . 1 1 63 63 VAL HG11 H 1 0.621 0.027 . 2 . . . A 63 VAL HG11 . 25702 1 666 . 1 1 63 63 VAL HG12 H 1 0.621 0.027 . 2 . . . A 63 VAL HG12 . 25702 1 667 . 1 1 63 63 VAL HG13 H 1 0.621 0.027 . 2 . . . A 63 VAL HG13 . 25702 1 668 . 1 1 63 63 VAL HG21 H 1 0.124 0.010 . 2 . . . A 63 VAL HG21 . 25702 1 669 . 1 1 63 63 VAL HG22 H 1 0.124 0.010 . 2 . . . A 63 VAL HG22 . 25702 1 670 . 1 1 63 63 VAL HG23 H 1 0.124 0.010 . 2 . . . A 63 VAL HG23 . 25702 1 671 . 1 1 63 63 VAL C C 13 179.266 0.000 . 1 . . . A 63 VAL C . 25702 1 672 . 1 1 63 63 VAL CA C 13 65.394 0.145 . 1 . . . A 63 VAL CA . 25702 1 673 . 1 1 63 63 VAL CB C 13 31.292 0.215 . 1 . . . A 63 VAL CB . 25702 1 674 . 1 1 63 63 VAL CG1 C 13 21.364 0.035 . 2 . . . A 63 VAL CG1 . 25702 1 675 . 1 1 63 63 VAL CG2 C 13 19.855 0.000 . 2 . . . A 63 VAL CG2 . 25702 1 676 . 1 1 63 63 VAL N N 15 120.511 0.004 . 1 . . . A 63 VAL N . 25702 1 677 . 1 1 64 64 ALA H H 1 7.264 0.011 . 1 . . . A 64 ALA H . 25702 1 678 . 1 1 64 64 ALA HA H 1 3.790 0.010 . 1 . . . A 64 ALA HA . 25702 1 679 . 1 1 64 64 ALA HB1 H 1 1.427 0.012 . 1 . . . A 64 ALA HB1 . 25702 1 680 . 1 1 64 64 ALA HB2 H 1 1.427 0.012 . 1 . . . A 64 ALA HB2 . 25702 1 681 . 1 1 64 64 ALA HB3 H 1 1.427 0.012 . 1 . . . A 64 ALA HB3 . 25702 1 682 . 1 1 64 64 ALA C C 13 178.540 0.000 . 1 . . . A 64 ALA C . 25702 1 683 . 1 1 64 64 ALA CA C 13 55.885 0.023 . 1 . . . A 64 ALA CA . 25702 1 684 . 1 1 64 64 ALA CB C 13 17.817 0.090 . 1 . . . A 64 ALA CB . 25702 1 685 . 1 1 64 64 ALA N N 15 122.711 0.018 . 1 . . . A 64 ALA N . 25702 1 686 . 1 1 65 65 GLN H H 1 8.344 0.011 . 1 . . . A 65 GLN H . 25702 1 687 . 1 1 65 65 GLN HA H 1 4.057 0.008 . 1 . . . A 65 GLN HA . 25702 1 688 . 1 1 65 65 GLN HB2 H 1 2.121 0.029 . 1 . . . A 65 GLN HB2 . 25702 1 689 . 1 1 65 65 GLN HB3 H 1 2.106 0.022 . 1 . . . A 65 GLN HB3 . 25702 1 690 . 1 1 65 65 GLN HG2 H 1 2.403 0.020 . 1 . . . A 65 GLN HG2 . 25702 1 691 . 1 1 65 65 GLN HG3 H 1 2.405 0.019 . 1 . . . A 65 GLN HG3 . 25702 1 692 . 1 1 65 65 GLN C C 13 180.544 0.000 . 1 . . . A 65 GLN C . 25702 1 693 . 1 1 65 65 GLN CA C 13 59.009 0.124 . 1 . . . A 65 GLN CA . 25702 1 694 . 1 1 65 65 GLN CB C 13 28.301 0.008 . 1 . . . A 65 GLN CB . 25702 1 695 . 1 1 65 65 GLN CG C 13 32.086 0.149 . 1 . . . A 65 GLN CG . 25702 1 696 . 1 1 65 65 GLN N N 15 117.988 0.014 . 1 . . . A 65 GLN N . 25702 1 697 . 1 1 66 66 LYS H H 1 7.971 0.009 . 1 . . . A 66 LYS H . 25702 1 698 . 1 1 66 66 LYS HA H 1 4.054 0.004 . 1 . . . A 66 LYS HA . 25702 1 699 . 1 1 66 66 LYS HB2 H 1 1.783 0.021 . 1 . . . A 66 LYS HB2 . 25702 1 700 . 1 1 66 66 LYS HB3 H 1 1.793 0.020 . 1 . . . A 66 LYS HB3 . 25702 1 701 . 1 1 66 66 LYS HG2 H 1 1.438 0.012 . 1 . . . A 66 LYS HG2 . 25702 1 702 . 1 1 66 66 LYS HG3 H 1 1.431 0.014 . 1 . . . A 66 LYS HG3 . 25702 1 703 . 1 1 66 66 LYS C C 13 176.954 0.000 . 1 . . . A 66 LYS C . 25702 1 704 . 1 1 66 66 LYS CA C 13 58.817 0.031 . 1 . . . A 66 LYS CA . 25702 1 705 . 1 1 66 66 LYS CB C 13 32.179 0.126 . 1 . . . A 66 LYS CB . 25702 1 706 . 1 1 66 66 LYS CG C 13 25.101 0.019 . 1 . . . A 66 LYS CG . 25702 1 707 . 1 1 66 66 LYS N N 15 120.050 0.094 . 1 . . . A 66 LYS N . 25702 1 708 . 1 1 67 67 ASN H H 1 7.064 0.012 . 1 . . . A 67 ASN H . 25702 1 709 . 1 1 67 67 ASN HA H 1 4.776 0.015 . 1 . . . A 67 ASN HA . 25702 1 710 . 1 1 67 67 ASN HB2 H 1 2.752 0.013 . 2 . . . A 67 ASN HB2 . 25702 1 711 . 1 1 67 67 ASN HB3 H 1 2.077 0.009 . 2 . . . A 67 ASN HB3 . 25702 1 712 . 1 1 67 67 ASN HD21 H 1 6.031 0.011 . 1 . . . A 67 ASN HD21 . 25702 1 713 . 1 1 67 67 ASN HD22 H 1 7.557 0.006 . 1 . . . A 67 ASN HD22 . 25702 1 714 . 1 1 67 67 ASN C C 13 171.614 0.000 . 1 . . . A 67 ASN C . 25702 1 715 . 1 1 67 67 ASN CA C 13 54.080 0.031 . 1 . . . A 67 ASN CA . 25702 1 716 . 1 1 67 67 ASN CB C 13 40.109 0.034 . 1 . . . A 67 ASN CB . 25702 1 717 . 1 1 67 67 ASN N N 15 114.553 0.018 . 1 . . . A 67 ASN N . 25702 1 718 . 1 1 67 67 ASN ND2 N 15 113.715 0.013 . 1 . . . A 67 ASN ND2 . 25702 1 719 . 1 1 68 68 GLU H H 1 7.755 0.015 . 1 . . . A 68 GLU H . 25702 1 720 . 1 1 68 68 GLU HA H 1 3.741 0.009 . 1 . . . A 68 GLU HA . 25702 1 721 . 1 1 68 68 GLU HB2 H 1 1.939 0.021 . 2 . . . A 68 GLU HB2 . 25702 1 722 . 1 1 68 68 GLU HB3 H 1 2.066 0.008 . 2 . . . A 68 GLU HB3 . 25702 1 723 . 1 1 68 68 GLU C C 13 175.660 0.000 . 1 . . . A 68 GLU C . 25702 1 724 . 1 1 68 68 GLU CA C 13 57.006 0.023 . 1 . . . A 68 GLU CA . 25702 1 725 . 1 1 68 68 GLU CB C 13 26.972 0.078 . 1 . . . A 68 GLU CB . 25702 1 726 . 1 1 68 68 GLU N N 15 114.491 0.026 . 1 . . . A 68 GLU N . 25702 1 727 . 1 1 69 69 VAL H H 1 7.787 0.023 . 1 . . . A 69 VAL H . 25702 1 728 . 1 1 69 69 VAL HA H 1 3.904 0.013 . 1 . . . A 69 VAL HA . 25702 1 729 . 1 1 69 69 VAL HB H 1 1.430 0.012 . 1 . . . A 69 VAL HB . 25702 1 730 . 1 1 69 69 VAL HG11 H 1 -0.210 0.024 . 2 . . . A 69 VAL HG11 . 25702 1 731 . 1 1 69 69 VAL HG12 H 1 -0.210 0.024 . 2 . . . A 69 VAL HG12 . 25702 1 732 . 1 1 69 69 VAL HG13 H 1 -0.210 0.024 . 2 . . . A 69 VAL HG13 . 25702 1 733 . 1 1 69 69 VAL HG21 H 1 0.522 0.008 . 2 . . . A 69 VAL HG21 . 25702 1 734 . 1 1 69 69 VAL HG22 H 1 0.522 0.008 . 2 . . . A 69 VAL HG22 . 25702 1 735 . 1 1 69 69 VAL HG23 H 1 0.522 0.008 . 2 . . . A 69 VAL HG23 . 25702 1 736 . 1 1 69 69 VAL C C 13 175.415 0.000 . 1 . . . A 69 VAL C . 25702 1 737 . 1 1 69 69 VAL CA C 13 62.870 0.008 . 1 . . . A 69 VAL CA . 25702 1 738 . 1 1 69 69 VAL CB C 13 30.914 0.012 . 1 . . . A 69 VAL CB . 25702 1 739 . 1 1 69 69 VAL CG1 C 13 20.492 0.102 . 2 . . . A 69 VAL CG1 . 25702 1 740 . 1 1 69 69 VAL CG2 C 13 20.657 0.030 . 2 . . . A 69 VAL CG2 . 25702 1 741 . 1 1 69 69 VAL N N 15 120.375 0.257 . 1 . . . A 69 VAL N . 25702 1 742 . 1 1 70 70 SER H H 1 8.565 0.011 . 1 . . . A 70 SER H . 25702 1 743 . 1 1 70 70 SER HA H 1 4.488 0.003 . 1 . . . A 70 SER HA . 25702 1 744 . 1 1 70 70 SER HB2 H 1 3.582 0.026 . 1 . . . A 70 SER HB2 . 25702 1 745 . 1 1 70 70 SER HB3 H 1 3.567 0.003 . 1 . . . A 70 SER HB3 . 25702 1 746 . 1 1 70 70 SER C C 13 172.616 0.000 . 1 . . . A 70 SER C . 25702 1 747 . 1 1 70 70 SER CA C 13 57.728 0.077 . 1 . . . A 70 SER CA . 25702 1 748 . 1 1 70 70 SER CB C 13 64.713 0.015 . 1 . . . A 70 SER CB . 25702 1 749 . 1 1 70 70 SER N N 15 121.558 0.015 . 1 . . . A 70 SER N . 25702 1 750 . 1 1 71 71 ALA H H 1 7.861 0.010 . 1 . . . A 71 ALA H . 25702 1 751 . 1 1 71 71 ALA HA H 1 4.579 0.020 . 1 . . . A 71 ALA HA . 25702 1 752 . 1 1 71 71 ALA HB1 H 1 1.202 0.010 . 1 . . . A 71 ALA HB1 . 25702 1 753 . 1 1 71 71 ALA HB2 H 1 1.202 0.010 . 1 . . . A 71 ALA HB2 . 25702 1 754 . 1 1 71 71 ALA HB3 H 1 1.202 0.010 . 1 . . . A 71 ALA HB3 . 25702 1 755 . 1 1 71 71 ALA C C 13 175.531 0.000 . 1 . . . A 71 ALA C . 25702 1 756 . 1 1 71 71 ALA CA C 13 51.492 0.006 . 1 . . . A 71 ALA CA . 25702 1 757 . 1 1 71 71 ALA CB C 13 21.362 0.021 . 1 . . . A 71 ALA CB . 25702 1 758 . 1 1 71 71 ALA N N 15 125.848 0.010 . 1 . . . A 71 ALA N . 25702 1 759 . 1 1 72 72 MET H H 1 8.553 0.007 . 1 . . . A 72 MET H . 25702 1 760 . 1 1 72 72 MET HA H 1 4.879 0.004 . 1 . . . A 72 MET HA . 25702 1 761 . 1 1 72 72 MET HB2 H 1 2.053 0.011 . 1 . . . A 72 MET HB2 . 25702 1 762 . 1 1 72 72 MET HB3 H 1 2.046 0.014 . 1 . . . A 72 MET HB3 . 25702 1 763 . 1 1 72 72 MET HE1 H 1 2.080 0.020 . 1 . . . A 72 MET HE1 . 25702 1 764 . 1 1 72 72 MET HE2 H 1 2.080 0.020 . 1 . . . A 72 MET HE2 . 25702 1 765 . 1 1 72 72 MET HE3 H 1 2.080 0.020 . 1 . . . A 72 MET HE3 . 25702 1 766 . 1 1 72 72 MET CA C 13 51.907 0.050 . 1 . . . A 72 MET CA . 25702 1 767 . 1 1 72 72 MET CB C 13 35.595 0.005 . 1 . . . A 72 MET CB . 25702 1 768 . 1 1 72 72 MET CE C 13 16.695 0.000 . 1 . . . A 72 MET CE . 25702 1 769 . 1 1 72 72 MET N N 15 118.991 0.017 . 1 . . . A 72 MET N . 25702 1 770 . 1 1 73 73 PRO HA H 1 5.006 0.012 . 1 . . . A 73 PRO HA . 25702 1 771 . 1 1 73 73 PRO HB2 H 1 2.144 0.017 . 1 . . . A 73 PRO HB2 . 25702 1 772 . 1 1 73 73 PRO HB3 H 1 2.032 0.033 . 1 . . . A 73 PRO HB3 . 25702 1 773 . 1 1 73 73 PRO HG2 H 1 2.056 0.016 . 1 . . . A 73 PRO HG2 . 25702 1 774 . 1 1 73 73 PRO HG3 H 1 2.057 0.015 . 1 . . . A 73 PRO HG3 . 25702 1 775 . 1 1 73 73 PRO C C 13 176.015 0.000 . 1 . . . A 73 PRO C . 25702 1 776 . 1 1 73 73 PRO CA C 13 63.029 0.125 . 1 . . . A 73 PRO CA . 25702 1 777 . 1 1 73 73 PRO CB C 13 34.365 0.195 . 1 . . . A 73 PRO CB . 25702 1 778 . 1 1 73 73 PRO CG C 13 31.719 0.077 . 1 . . . A 73 PRO CG . 25702 1 779 . 1 1 74 74 THR H H 1 7.772 0.018 . 1 . . . A 74 THR H . 25702 1 780 . 1 1 74 74 THR HA H 1 5.013 0.018 . 1 . . . A 74 THR HA . 25702 1 781 . 1 1 74 74 THR HB H 1 3.785 0.011 . 1 . . . A 74 THR HB . 25702 1 782 . 1 1 74 74 THR HG21 H 1 0.969 0.014 . 1 . . . A 74 THR HG21 . 25702 1 783 . 1 1 74 74 THR HG22 H 1 0.969 0.014 . 1 . . . A 74 THR HG22 . 25702 1 784 . 1 1 74 74 THR HG23 H 1 0.969 0.014 . 1 . . . A 74 THR HG23 . 25702 1 785 . 1 1 74 74 THR C C 13 171.538 0.000 . 1 . . . A 74 THR C . 25702 1 786 . 1 1 74 74 THR CA C 13 63.556 0.023 . 1 . . . A 74 THR CA . 25702 1 787 . 1 1 74 74 THR CB C 13 73.238 0.024 . 1 . . . A 74 THR CB . 25702 1 788 . 1 1 74 74 THR CG2 C 13 22.122 0.227 . 1 . . . A 74 THR CG2 . 25702 1 789 . 1 1 74 74 THR N N 15 114.577 0.074 . 1 . . . A 74 THR N . 25702 1 790 . 1 1 75 75 LEU H H 1 9.517 0.009 . 1 . . . A 75 LEU H . 25702 1 791 . 1 1 75 75 LEU HA H 1 5.486 0.016 . 1 . . . A 75 LEU HA . 25702 1 792 . 1 1 75 75 LEU HB2 H 1 1.567 0.028 . 2 . . . A 75 LEU HB2 . 25702 1 793 . 1 1 75 75 LEU HB3 H 1 1.552 0.027 . 2 . . . A 75 LEU HB3 . 25702 1 794 . 1 1 75 75 LEU HG H 1 1.607 0.019 . 1 . . . A 75 LEU HG . 25702 1 795 . 1 1 75 75 LEU HD11 H 1 0.816 0.023 . 1 . . . A 75 LEU HD11 . 25702 1 796 . 1 1 75 75 LEU HD12 H 1 0.816 0.023 . 1 . . . A 75 LEU HD12 . 25702 1 797 . 1 1 75 75 LEU HD13 H 1 0.816 0.023 . 1 . . . A 75 LEU HD13 . 25702 1 798 . 1 1 75 75 LEU HD21 H 1 0.808 0.018 . 1 . . . A 75 LEU HD21 . 25702 1 799 . 1 1 75 75 LEU HD22 H 1 0.808 0.018 . 1 . . . A 75 LEU HD22 . 25702 1 800 . 1 1 75 75 LEU HD23 H 1 0.808 0.018 . 1 . . . A 75 LEU HD23 . 25702 1 801 . 1 1 75 75 LEU C C 13 174.827 0.000 . 1 . . . A 75 LEU C . 25702 1 802 . 1 1 75 75 LEU CA C 13 53.322 0.061 . 1 . . . A 75 LEU CA . 25702 1 803 . 1 1 75 75 LEU CB C 13 44.149 0.027 . 1 . . . A 75 LEU CB . 25702 1 804 . 1 1 75 75 LEU CG C 13 28.832 0.108 . 1 . . . A 75 LEU CG . 25702 1 805 . 1 1 75 75 LEU CD2 C 13 25.769 0.032 . 1 . . . A 75 LEU CD2 . 25702 1 806 . 1 1 75 75 LEU N N 15 131.086 0.056 . 1 . . . A 75 LEU N . 25702 1 807 . 1 1 76 76 LEU H H 1 9.214 0.013 . 1 . . . A 76 LEU H . 25702 1 808 . 1 1 76 76 LEU HA H 1 4.903 0.009 . 1 . . . A 76 LEU HA . 25702 1 809 . 1 1 76 76 LEU HB2 H 1 1.263 0.016 . 2 . . . A 76 LEU HB2 . 25702 1 810 . 1 1 76 76 LEU HB3 H 1 1.906 0.019 . 2 . . . A 76 LEU HB3 . 25702 1 811 . 1 1 76 76 LEU HD11 H 1 0.878 0.017 . 1 . . . A 76 LEU HD11 . 25702 1 812 . 1 1 76 76 LEU HD12 H 1 0.878 0.017 . 1 . . . A 76 LEU HD12 . 25702 1 813 . 1 1 76 76 LEU HD13 H 1 0.878 0.017 . 1 . . . A 76 LEU HD13 . 25702 1 814 . 1 1 76 76 LEU HD21 H 1 0.857 0.017 . 1 . . . A 76 LEU HD21 . 25702 1 815 . 1 1 76 76 LEU HD22 H 1 0.857 0.017 . 1 . . . A 76 LEU HD22 . 25702 1 816 . 1 1 76 76 LEU HD23 H 1 0.857 0.017 . 1 . . . A 76 LEU HD23 . 25702 1 817 . 1 1 76 76 LEU C C 13 174.229 0.000 . 1 . . . A 76 LEU C . 25702 1 818 . 1 1 76 76 LEU CA C 13 53.487 0.047 . 1 . . . A 76 LEU CA . 25702 1 819 . 1 1 76 76 LEU CB C 13 46.070 0.045 . 1 . . . A 76 LEU CB . 25702 1 820 . 1 1 76 76 LEU CD1 C 13 26.360 0.038 . 1 . . . A 76 LEU CD1 . 25702 1 821 . 1 1 76 76 LEU N N 15 123.573 0.028 . 1 . . . A 76 LEU N . 25702 1 822 . 1 1 77 77 LEU H H 1 8.189 0.012 . 1 . . . A 77 LEU H . 25702 1 823 . 1 1 77 77 LEU HA H 1 5.248 0.006 . 1 . . . A 77 LEU HA . 25702 1 824 . 1 1 77 77 LEU HB2 H 1 1.281 0.022 . 2 . . . A 77 LEU HB2 . 25702 1 825 . 1 1 77 77 LEU HB3 H 1 1.284 0.026 . 2 . . . A 77 LEU HB3 . 25702 1 826 . 1 1 77 77 LEU HG H 1 1.538 0.025 . 1 . . . A 77 LEU HG . 25702 1 827 . 1 1 77 77 LEU HD11 H 1 0.574 0.027 . 1 . . . A 77 LEU HD11 . 25702 1 828 . 1 1 77 77 LEU HD12 H 1 0.574 0.027 . 1 . . . A 77 LEU HD12 . 25702 1 829 . 1 1 77 77 LEU HD13 H 1 0.574 0.027 . 1 . . . A 77 LEU HD13 . 25702 1 830 . 1 1 77 77 LEU HD21 H 1 0.534 0.018 . 1 . . . A 77 LEU HD21 . 25702 1 831 . 1 1 77 77 LEU HD22 H 1 0.534 0.018 . 1 . . . A 77 LEU HD22 . 25702 1 832 . 1 1 77 77 LEU HD23 H 1 0.534 0.018 . 1 . . . A 77 LEU HD23 . 25702 1 833 . 1 1 77 77 LEU C C 13 174.961 0.000 . 1 . . . A 77 LEU C . 25702 1 834 . 1 1 77 77 LEU CA C 13 54.729 0.092 . 1 . . . A 77 LEU CA . 25702 1 835 . 1 1 77 77 LEU CB C 13 42.691 0.029 . 1 . . . A 77 LEU CB . 25702 1 836 . 1 1 77 77 LEU CG C 13 30.582 0.058 . 1 . . . A 77 LEU CG . 25702 1 837 . 1 1 77 77 LEU CD2 C 13 27.863 0.111 . 1 . . . A 77 LEU CD2 . 25702 1 838 . 1 1 77 77 LEU N N 15 123.032 0.017 . 1 . . . A 77 LEU N . 25702 1 839 . 1 1 78 78 PHE H H 1 9.748 0.005 . 1 . . . A 78 PHE H . 25702 1 840 . 1 1 78 78 PHE HA H 1 5.397 0.018 . 1 . . . A 78 PHE HA . 25702 1 841 . 1 1 78 78 PHE HB2 H 1 2.793 0.017 . 1 . . . A 78 PHE HB2 . 25702 1 842 . 1 1 78 78 PHE HB3 H 1 2.767 0.024 . 1 . . . A 78 PHE HB3 . 25702 1 843 . 1 1 78 78 PHE HD1 H 1 6.784 0.017 . 1 . . . A 78 PHE HD1 . 25702 1 844 . 1 1 78 78 PHE HD2 H 1 6.784 0.017 . 1 . . . A 78 PHE HD2 . 25702 1 845 . 1 1 78 78 PHE C C 13 174.427 0.000 . 1 . . . A 78 PHE C . 25702 1 846 . 1 1 78 78 PHE CA C 13 56.381 0.027 . 1 . . . A 78 PHE CA . 25702 1 847 . 1 1 78 78 PHE CB C 13 44.318 0.046 . 1 . . . A 78 PHE CB . 25702 1 848 . 1 1 78 78 PHE CD1 C 13 131.998 0.000 . 1 . . . A 78 PHE CD1 . 25702 1 849 . 1 1 78 78 PHE CD2 C 13 131.998 0.000 . 1 . . . A 78 PHE CD2 . 25702 1 850 . 1 1 78 78 PHE N N 15 121.929 0.047 . 1 . . . A 78 PHE N . 25702 1 851 . 1 1 79 79 LYS H H 1 8.741 0.014 . 1 . . . A 79 LYS H . 25702 1 852 . 1 1 79 79 LYS HA H 1 4.813 0.024 . 1 . . . A 79 LYS HA . 25702 1 853 . 1 1 79 79 LYS HB2 H 1 1.619 0.027 . 1 . . . A 79 LYS HB2 . 25702 1 854 . 1 1 79 79 LYS HB3 H 1 1.595 0.025 . 1 . . . A 79 LYS HB3 . 25702 1 855 . 1 1 79 79 LYS C C 13 177.709 0.000 . 1 . . . A 79 LYS C . 25702 1 856 . 1 1 79 79 LYS CA C 13 57.422 0.059 . 1 . . . A 79 LYS CA . 25702 1 857 . 1 1 79 79 LYS CB C 13 36.270 0.255 . 1 . . . A 79 LYS CB . 25702 1 858 . 1 1 79 79 LYS N N 15 117.221 0.016 . 1 . . . A 79 LYS N . 25702 1 859 . 1 1 80 80 ASN H H 1 8.890 0.009 . 1 . . . A 80 ASN H . 25702 1 860 . 1 1 80 80 ASN HA H 1 4.305 0.009 . 1 . . . A 80 ASN HA . 25702 1 861 . 1 1 80 80 ASN HB2 H 1 2.622 0.007 . 2 . . . A 80 ASN HB2 . 25702 1 862 . 1 1 80 80 ASN HB3 H 1 3.066 0.015 . 2 . . . A 80 ASN HB3 . 25702 1 863 . 1 1 80 80 ASN HD21 H 1 7.364 0.006 . 1 . . . A 80 ASN HD21 . 25702 1 864 . 1 1 80 80 ASN HD22 H 1 6.891 0.003 . 1 . . . A 80 ASN HD22 . 25702 1 865 . 1 1 80 80 ASN C C 13 175.395 0.000 . 1 . . . A 80 ASN C . 25702 1 866 . 1 1 80 80 ASN CA C 13 54.469 0.034 . 1 . . . A 80 ASN CA . 25702 1 867 . 1 1 80 80 ASN CB C 13 37.671 0.129 . 1 . . . A 80 ASN CB . 25702 1 868 . 1 1 80 80 ASN N N 15 125.563 0.020 . 1 . . . A 80 ASN N . 25702 1 869 . 1 1 80 80 ASN ND2 N 15 111.263 0.012 . 1 . . . A 80 ASN ND2 . 25702 1 870 . 1 1 81 81 GLY H H 1 8.640 0.007 . 1 . . . A 81 GLY H . 25702 1 871 . 1 1 81 81 GLY HA2 H 1 3.361 0.011 . 2 . . . A 81 GLY HA2 . 25702 1 872 . 1 1 81 81 GLY HA3 H 1 4.080 0.026 . 2 . . . A 81 GLY HA3 . 25702 1 873 . 1 1 81 81 GLY C C 13 173.223 0.000 . 1 . . . A 81 GLY C . 25702 1 874 . 1 1 81 81 GLY CA C 13 45.645 0.040 . 1 . . . A 81 GLY CA . 25702 1 875 . 1 1 81 81 GLY N N 15 102.976 0.027 . 1 . . . A 81 GLY N . 25702 1 876 . 1 1 82 82 LYS H H 1 7.583 0.012 . 1 . . . A 82 LYS H . 25702 1 877 . 1 1 82 82 LYS HA H 1 4.723 0.024 . 1 . . . A 82 LYS HA . 25702 1 878 . 1 1 82 82 LYS HB2 H 1 1.718 0.011 . 2 . . . A 82 LYS HB2 . 25702 1 879 . 1 1 82 82 LYS HB3 H 1 1.789 0.017 . 2 . . . A 82 LYS HB3 . 25702 1 880 . 1 1 82 82 LYS HG2 H 1 1.369 0.015 . 1 . . . A 82 LYS HG2 . 25702 1 881 . 1 1 82 82 LYS HG3 H 1 1.356 0.016 . 1 . . . A 82 LYS HG3 . 25702 1 882 . 1 1 82 82 LYS C C 13 174.897 0.000 . 1 . . . A 82 LYS C . 25702 1 883 . 1 1 82 82 LYS CA C 13 54.355 0.203 . 1 . . . A 82 LYS CA . 25702 1 884 . 1 1 82 82 LYS CB C 13 35.327 0.110 . 1 . . . A 82 LYS CB . 25702 1 885 . 1 1 82 82 LYS CG C 13 24.483 0.075 . 1 . . . A 82 LYS CG . 25702 1 886 . 1 1 82 82 LYS N N 15 119.280 0.022 . 1 . . . A 82 LYS N . 25702 1 887 . 1 1 83 83 GLU H H 1 8.818 0.012 . 1 . . . A 83 GLU H . 25702 1 888 . 1 1 83 83 GLU HA H 1 3.859 0.017 . 1 . . . A 83 GLU HA . 25702 1 889 . 1 1 83 83 GLU HB2 H 1 1.718 0.024 . 2 . . . A 83 GLU HB2 . 25702 1 890 . 1 1 83 83 GLU HB3 H 1 1.870 0.004 . 2 . . . A 83 GLU HB3 . 25702 1 891 . 1 1 83 83 GLU HG2 H 1 1.651 0.035 . 2 . . . A 83 GLU HG2 . 25702 1 892 . 1 1 83 83 GLU HG3 H 1 1.598 0.040 . 2 . . . A 83 GLU HG3 . 25702 1 893 . 1 1 83 83 GLU C C 13 177.249 0.000 . 1 . . . A 83 GLU C . 25702 1 894 . 1 1 83 83 GLU CA C 13 56.959 0.192 . 1 . . . A 83 GLU CA . 25702 1 895 . 1 1 83 83 GLU CB C 13 30.512 0.146 . 1 . . . A 83 GLU CB . 25702 1 896 . 1 1 83 83 GLU CG C 13 36.480 0.135 . 1 . . . A 83 GLU CG . 25702 1 897 . 1 1 83 83 GLU N N 15 125.460 0.018 . 1 . . . A 83 GLU N . 25702 1 898 . 1 1 84 84 VAL H H 1 9.281 0.020 . 1 . . . A 84 VAL H . 25702 1 899 . 1 1 84 84 VAL HA H 1 4.422 0.019 . 1 . . . A 84 VAL HA . 25702 1 900 . 1 1 84 84 VAL HB H 1 2.098 0.018 . 1 . . . A 84 VAL HB . 25702 1 901 . 1 1 84 84 VAL HG11 H 1 0.890 0.022 . 2 . . . A 84 VAL HG11 . 25702 1 902 . 1 1 84 84 VAL HG12 H 1 0.890 0.022 . 2 . . . A 84 VAL HG12 . 25702 1 903 . 1 1 84 84 VAL HG13 H 1 0.890 0.022 . 2 . . . A 84 VAL HG13 . 25702 1 904 . 1 1 84 84 VAL HG21 H 1 0.434 0.014 . 2 . . . A 84 VAL HG21 . 25702 1 905 . 1 1 84 84 VAL HG22 H 1 0.434 0.014 . 2 . . . A 84 VAL HG22 . 25702 1 906 . 1 1 84 84 VAL HG23 H 1 0.434 0.014 . 2 . . . A 84 VAL HG23 . 25702 1 907 . 1 1 84 84 VAL C C 13 175.625 0.000 . 1 . . . A 84 VAL C . 25702 1 908 . 1 1 84 84 VAL CA C 13 61.083 0.064 . 1 . . . A 84 VAL CA . 25702 1 909 . 1 1 84 84 VAL CB C 13 33.091 0.092 . 1 . . . A 84 VAL CB . 25702 1 910 . 1 1 84 84 VAL CG1 C 13 18.382 0.046 . 2 . . . A 84 VAL CG1 . 25702 1 911 . 1 1 84 84 VAL CG2 C 13 18.576 0.074 . 2 . . . A 84 VAL CG2 . 25702 1 912 . 1 1 84 84 VAL N N 15 121.989 0.014 . 1 . . . A 84 VAL N . 25702 1 913 . 1 1 85 85 ALA H H 1 7.564 0.010 . 1 . . . A 85 ALA H . 25702 1 914 . 1 1 85 85 ALA HA H 1 4.399 0.017 . 1 . . . A 85 ALA HA . 25702 1 915 . 1 1 85 85 ALA HB1 H 1 1.264 0.012 . 1 . . . A 85 ALA HB1 . 25702 1 916 . 1 1 85 85 ALA HB2 H 1 1.264 0.012 . 1 . . . A 85 ALA HB2 . 25702 1 917 . 1 1 85 85 ALA HB3 H 1 1.264 0.012 . 1 . . . A 85 ALA HB3 . 25702 1 918 . 1 1 85 85 ALA C C 13 173.805 0.000 . 1 . . . A 85 ALA C . 25702 1 919 . 1 1 85 85 ALA CA C 13 52.656 0.012 . 1 . . . A 85 ALA CA . 25702 1 920 . 1 1 85 85 ALA CB C 13 21.987 0.017 . 1 . . . A 85 ALA CB . 25702 1 921 . 1 1 85 85 ALA N N 15 121.284 0.044 . 1 . . . A 85 ALA N . 25702 1 922 . 1 1 86 86 LYS H H 1 8.000 0.008 . 1 . . . A 86 LYS H . 25702 1 923 . 1 1 86 86 LYS HA H 1 4.946 0.011 . 1 . . . A 86 LYS HA . 25702 1 924 . 1 1 86 86 LYS HB2 H 1 1.668 0.000 . 2 . . . A 86 LYS HB2 . 25702 1 925 . 1 1 86 86 LYS HB3 H 1 1.544 0.023 . 2 . . . A 86 LYS HB3 . 25702 1 926 . 1 1 86 86 LYS C C 13 174.999 0.000 . 1 . . . A 86 LYS C . 25702 1 927 . 1 1 86 86 LYS CA C 13 55.339 0.016 . 1 . . . A 86 LYS CA . 25702 1 928 . 1 1 86 86 LYS CB C 13 35.605 0.035 . 1 . . . A 86 LYS CB . 25702 1 929 . 1 1 86 86 LYS N N 15 119.558 0.042 . 1 . . . A 86 LYS N . 25702 1 930 . 1 1 87 87 VAL H H 1 9.198 0.014 . 1 . . . A 87 VAL H . 25702 1 931 . 1 1 87 87 VAL HA H 1 4.703 0.007 . 1 . . . A 87 VAL HA . 25702 1 932 . 1 1 87 87 VAL HB H 1 1.991 0.019 . 1 . . . A 87 VAL HB . 25702 1 933 . 1 1 87 87 VAL C C 13 174.516 0.000 . 1 . . . A 87 VAL C . 25702 1 934 . 1 1 87 87 VAL CA C 13 61.379 0.020 . 1 . . . A 87 VAL CA . 25702 1 935 . 1 1 87 87 VAL CB C 13 34.187 0.087 . 1 . . . A 87 VAL CB . 25702 1 936 . 1 1 87 87 VAL N N 15 126.118 0.085 . 1 . . . A 87 VAL N . 25702 1 937 . 1 1 88 88 VAL H H 1 9.031 0.004 . 1 . . . A 88 VAL H . 25702 1 938 . 1 1 88 88 VAL HA H 1 4.454 0.007 . 1 . . . A 88 VAL HA . 25702 1 939 . 1 1 88 88 VAL HB H 1 1.873 0.022 . 1 . . . A 88 VAL HB . 25702 1 940 . 1 1 88 88 VAL HG11 H 1 0.640 0.000 . 1 . . . A 88 VAL HG11 . 25702 1 941 . 1 1 88 88 VAL HG12 H 1 0.640 0.000 . 1 . . . A 88 VAL HG12 . 25702 1 942 . 1 1 88 88 VAL HG13 H 1 0.640 0.000 . 1 . . . A 88 VAL HG13 . 25702 1 943 . 1 1 88 88 VAL HG21 H 1 0.651 0.012 . 1 . . . A 88 VAL HG21 . 25702 1 944 . 1 1 88 88 VAL HG22 H 1 0.651 0.012 . 1 . . . A 88 VAL HG22 . 25702 1 945 . 1 1 88 88 VAL HG23 H 1 0.651 0.012 . 1 . . . A 88 VAL HG23 . 25702 1 946 . 1 1 88 88 VAL C C 13 176.142 0.000 . 1 . . . A 88 VAL C . 25702 1 947 . 1 1 88 88 VAL CA C 13 61.982 0.011 . 1 . . . A 88 VAL CA . 25702 1 948 . 1 1 88 88 VAL CB C 13 32.641 0.236 . 1 . . . A 88 VAL CB . 25702 1 949 . 1 1 88 88 VAL CG2 C 13 20.464 0.172 . 1 . . . A 88 VAL CG2 . 25702 1 950 . 1 1 88 88 VAL N N 15 128.549 0.008 . 1 . . . A 88 VAL N . 25702 1 951 . 1 1 89 89 GLY H H 1 8.379 0.013 . 1 . . . A 89 GLY H . 25702 1 952 . 1 1 89 89 GLY HA2 H 1 3.580 0.011 . 2 . . . A 89 GLY HA2 . 25702 1 953 . 1 1 89 89 GLY HA3 H 1 4.468 0.009 . 2 . . . A 89 GLY HA3 . 25702 1 954 . 1 1 89 89 GLY C C 13 173.063 0.000 . 1 . . . A 89 GLY C . 25702 1 955 . 1 1 89 89 GLY CA C 13 43.506 0.033 . 1 . . . A 89 GLY CA . 25702 1 956 . 1 1 89 89 GLY N N 15 114.516 0.025 . 1 . . . A 89 GLY N . 25702 1 957 . 1 1 90 90 ALA H H 1 8.592 0.017 . 1 . . . A 90 ALA H . 25702 1 958 . 1 1 90 90 ALA HA H 1 4.195 0.016 . 1 . . . A 90 ALA HA . 25702 1 959 . 1 1 90 90 ALA HB1 H 1 1.238 0.020 . 1 . . . A 90 ALA HB1 . 25702 1 960 . 1 1 90 90 ALA HB2 H 1 1.238 0.020 . 1 . . . A 90 ALA HB2 . 25702 1 961 . 1 1 90 90 ALA HB3 H 1 1.238 0.020 . 1 . . . A 90 ALA HB3 . 25702 1 962 . 1 1 90 90 ALA C C 13 174.897 0.000 . 1 . . . A 90 ALA C . 25702 1 963 . 1 1 90 90 ALA CA C 13 50.439 0.026 . 1 . . . A 90 ALA CA . 25702 1 964 . 1 1 90 90 ALA CB C 13 17.881 0.052 . 1 . . . A 90 ALA CB . 25702 1 965 . 1 1 90 90 ALA N N 15 122.292 0.040 . 1 . . . A 90 ALA N . 25702 1 966 . 1 1 91 91 ASN H H 1 7.386 0.008 . 1 . . . A 91 ASN H . 25702 1 967 . 1 1 91 91 ASN HA H 1 5.111 0.007 . 1 . . . A 91 ASN HA . 25702 1 968 . 1 1 91 91 ASN HB2 H 1 2.860 0.014 . 2 . . . A 91 ASN HB2 . 25702 1 969 . 1 1 91 91 ASN HB3 H 1 2.595 0.013 . 2 . . . A 91 ASN HB3 . 25702 1 970 . 1 1 91 91 ASN HD21 H 1 7.659 0.039 . 1 . . . A 91 ASN HD21 . 25702 1 971 . 1 1 91 91 ASN HD22 H 1 7.056 0.027 . 1 . . . A 91 ASN HD22 . 25702 1 972 . 1 1 91 91 ASN CA C 13 50.012 0.039 . 1 . . . A 91 ASN CA . 25702 1 973 . 1 1 91 91 ASN CB C 13 38.978 0.092 . 1 . . . A 91 ASN CB . 25702 1 974 . 1 1 91 91 ASN N N 15 120.220 0.010 . 1 . . . A 91 ASN N . 25702 1 975 . 1 1 91 91 ASN ND2 N 15 112.681 0.130 . 1 . . . A 91 ASN ND2 . 25702 1 976 . 1 1 92 92 PRO HA H 1 4.028 0.037 . 1 . . . A 92 PRO HA . 25702 1 977 . 1 1 92 92 PRO HD2 H 1 3.627 0.012 . 2 . . . A 92 PRO HD2 . 25702 1 978 . 1 1 92 92 PRO HD3 H 1 3.542 0.026 . 2 . . . A 92 PRO HD3 . 25702 1 979 . 1 1 92 92 PRO CA C 13 62.097 0.000 . 1 . . . A 92 PRO CA . 25702 1 980 . 1 1 92 92 PRO CD C 13 50.385 0.095 . 1 . . . A 92 PRO CD . 25702 1 981 . 1 1 93 93 ALA HA H 1 4.095 0.016 . 1 . . . A 93 ALA HA . 25702 1 982 . 1 1 93 93 ALA HB1 H 1 1.414 0.009 . 1 . . . A 93 ALA HB1 . 25702 1 983 . 1 1 93 93 ALA HB2 H 1 1.414 0.009 . 1 . . . A 93 ALA HB2 . 25702 1 984 . 1 1 93 93 ALA HB3 H 1 1.414 0.009 . 1 . . . A 93 ALA HB3 . 25702 1 985 . 1 1 93 93 ALA C C 13 180.205 0.000 . 1 . . . A 93 ALA C . 25702 1 986 . 1 1 93 93 ALA CA C 13 55.166 0.140 . 1 . . . A 93 ALA CA . 25702 1 987 . 1 1 93 93 ALA CB C 13 17.981 0.102 . 1 . . . A 93 ALA CB . 25702 1 988 . 1 1 94 94 ALA H H 1 7.223 0.008 . 1 . . . A 94 ALA H . 25702 1 989 . 1 1 94 94 ALA HA H 1 4.061 0.014 . 1 . . . A 94 ALA HA . 25702 1 990 . 1 1 94 94 ALA HB1 H 1 1.364 0.016 . 1 . . . A 94 ALA HB1 . 25702 1 991 . 1 1 94 94 ALA HB2 H 1 1.364 0.016 . 1 . . . A 94 ALA HB2 . 25702 1 992 . 1 1 94 94 ALA HB3 H 1 1.364 0.016 . 1 . . . A 94 ALA HB3 . 25702 1 993 . 1 1 94 94 ALA C C 13 180.917 0.000 . 1 . . . A 94 ALA C . 25702 1 994 . 1 1 94 94 ALA CA C 13 54.260 0.238 . 1 . . . A 94 ALA CA . 25702 1 995 . 1 1 94 94 ALA CB C 13 18.798 0.048 . 1 . . . A 94 ALA CB . 25702 1 996 . 1 1 94 94 ALA N N 15 120.499 0.006 . 1 . . . A 94 ALA N . 25702 1 997 . 1 1 95 95 ILE H H 1 7.772 0.014 . 1 . . . A 95 ILE H . 25702 1 998 . 1 1 95 95 ILE HA H 1 3.352 0.011 . 1 . . . A 95 ILE HA . 25702 1 999 . 1 1 95 95 ILE HB H 1 1.841 0.020 . 1 . . . A 95 ILE HB . 25702 1 1000 . 1 1 95 95 ILE HG21 H 1 0.656 0.021 . 1 . . . A 95 ILE HG21 . 25702 1 1001 . 1 1 95 95 ILE HG22 H 1 0.656 0.021 . 1 . . . A 95 ILE HG22 . 25702 1 1002 . 1 1 95 95 ILE HG23 H 1 0.656 0.021 . 1 . . . A 95 ILE HG23 . 25702 1 1003 . 1 1 95 95 ILE C C 13 176.217 0.000 . 1 . . . A 95 ILE C . 25702 1 1004 . 1 1 95 95 ILE CA C 13 65.953 0.111 . 1 . . . A 95 ILE CA . 25702 1 1005 . 1 1 95 95 ILE CB C 13 38.380 0.021 . 1 . . . A 95 ILE CB . 25702 1 1006 . 1 1 95 95 ILE CG2 C 13 17.878 0.028 . 1 . . . A 95 ILE CG2 . 25702 1 1007 . 1 1 95 95 ILE N N 15 119.397 0.040 . 1 . . . A 95 ILE N . 25702 1 1008 . 1 1 96 96 LYS H H 1 8.112 0.012 . 1 . . . A 96 LYS H . 25702 1 1009 . 1 1 96 96 LYS HA H 1 3.017 0.011 . 1 . . . A 96 LYS HA . 25702 1 1010 . 1 1 96 96 LYS HB2 H 1 1.748 0.016 . 1 . . . A 96 LYS HB2 . 25702 1 1011 . 1 1 96 96 LYS HB3 H 1 1.752 0.017 . 1 . . . A 96 LYS HB3 . 25702 1 1012 . 1 1 96 96 LYS C C 13 177.824 0.000 . 1 . . . A 96 LYS C . 25702 1 1013 . 1 1 96 96 LYS CA C 13 60.626 0.027 . 1 . . . A 96 LYS CA . 25702 1 1014 . 1 1 96 96 LYS CB C 13 32.165 0.042 . 1 . . . A 96 LYS CB . 25702 1 1015 . 1 1 96 96 LYS N N 15 118.919 0.028 . 1 . . . A 96 LYS N . 25702 1 1016 . 1 1 97 97 GLN H H 1 7.686 0.007 . 1 . . . A 97 GLN H . 25702 1 1017 . 1 1 97 97 GLN HA H 1 3.852 0.017 . 1 . . . A 97 GLN HA . 25702 1 1018 . 1 1 97 97 GLN HB2 H 1 1.981 0.025 . 1 . . . A 97 GLN HB2 . 25702 1 1019 . 1 1 97 97 GLN HB3 H 1 1.984 0.024 . 1 . . . A 97 GLN HB3 . 25702 1 1020 . 1 1 97 97 GLN HE21 H 1 7.337 0.009 . 1 . . . A 97 GLN HE21 . 25702 1 1021 . 1 1 97 97 GLN HE22 H 1 6.738 0.020 . 1 . . . A 97 GLN HE22 . 25702 1 1022 . 1 1 97 97 GLN C C 13 178.014 0.000 . 1 . . . A 97 GLN C . 25702 1 1023 . 1 1 97 97 GLN CA C 13 58.583 0.111 . 1 . . . A 97 GLN CA . 25702 1 1024 . 1 1 97 97 GLN CB C 13 28.344 0.005 . 1 . . . A 97 GLN CB . 25702 1 1025 . 1 1 97 97 GLN N N 15 115.480 0.009 . 1 . . . A 97 GLN N . 25702 1 1026 . 1 1 97 97 GLN NE2 N 15 111.429 0.220 . 1 . . . A 97 GLN NE2 . 25702 1 1027 . 1 1 98 98 ALA H H 1 7.446 0.017 . 1 . . . A 98 ALA H . 25702 1 1028 . 1 1 98 98 ALA HA H 1 3.930 0.007 . 1 . . . A 98 ALA HA . 25702 1 1029 . 1 1 98 98 ALA HB1 H 1 1.147 0.013 . 1 . . . A 98 ALA HB1 . 25702 1 1030 . 1 1 98 98 ALA HB2 H 1 1.147 0.013 . 1 . . . A 98 ALA HB2 . 25702 1 1031 . 1 1 98 98 ALA HB3 H 1 1.147 0.013 . 1 . . . A 98 ALA HB3 . 25702 1 1032 . 1 1 98 98 ALA C C 13 179.544 0.000 . 1 . . . A 98 ALA C . 25702 1 1033 . 1 1 98 98 ALA CA C 13 54.749 0.020 . 1 . . . A 98 ALA CA . 25702 1 1034 . 1 1 98 98 ALA CB C 13 17.915 0.031 . 1 . . . A 98 ALA CB . 25702 1 1035 . 1 1 98 98 ALA N N 15 120.911 0.009 . 1 . . . A 98 ALA N . 25702 1 1036 . 1 1 99 99 ILE H H 1 7.735 0.014 . 1 . . . A 99 ILE H . 25702 1 1037 . 1 1 99 99 ILE HA H 1 3.047 0.011 . 1 . . . A 99 ILE HA . 25702 1 1038 . 1 1 99 99 ILE HB H 1 1.113 0.018 . 1 . . . A 99 ILE HB . 25702 1 1039 . 1 1 99 99 ILE HG13 H 1 0.488 0.017 . 1 . . . A 99 ILE HG13 . 25702 1 1040 . 1 1 99 99 ILE HG21 H 1 0.497 0.011 . 1 . . . A 99 ILE HG21 . 25702 1 1041 . 1 1 99 99 ILE HG22 H 1 0.497 0.011 . 1 . . . A 99 ILE HG22 . 25702 1 1042 . 1 1 99 99 ILE HG23 H 1 0.497 0.011 . 1 . . . A 99 ILE HG23 . 25702 1 1043 . 1 1 99 99 ILE HD11 H 1 -0.152 0.008 . 1 . . . A 99 ILE HD11 . 25702 1 1044 . 1 1 99 99 ILE HD12 H 1 -0.152 0.008 . 1 . . . A 99 ILE HD12 . 25702 1 1045 . 1 1 99 99 ILE HD13 H 1 -0.152 0.008 . 1 . . . A 99 ILE HD13 . 25702 1 1046 . 1 1 99 99 ILE C C 13 177.087 0.000 . 1 . . . A 99 ILE C . 25702 1 1047 . 1 1 99 99 ILE CA C 13 65.459 0.028 . 1 . . . A 99 ILE CA . 25702 1 1048 . 1 1 99 99 ILE CB C 13 38.132 0.012 . 1 . . . A 99 ILE CB . 25702 1 1049 . 1 1 99 99 ILE CG1 C 13 26.053 0.016 . 1 . . . A 99 ILE CG1 . 25702 1 1050 . 1 1 99 99 ILE CG2 C 13 14.658 0.004 . 1 . . . A 99 ILE CG2 . 25702 1 1051 . 1 1 99 99 ILE CD1 C 13 15.838 0.015 . 1 . . . A 99 ILE CD1 . 25702 1 1052 . 1 1 99 99 ILE N N 15 117.780 0.019 . 1 . . . A 99 ILE N . 25702 1 1053 . 1 1 100 100 ALA H H 1 8.214 0.007 . 1 . . . A 100 ALA H . 25702 1 1054 . 1 1 100 100 ALA C C 13 180.431 0.000 . 1 . . . A 100 ALA C . 25702 1 1055 . 1 1 100 100 ALA CA C 13 55.245 0.000 . 1 . . . A 100 ALA CA . 25702 1 1056 . 1 1 100 100 ALA CB C 13 18.293 0.000 . 1 . . . A 100 ALA CB . 25702 1 1057 . 1 1 100 100 ALA N N 15 119.516 0.008 . 1 . . . A 100 ALA N . 25702 1 1058 . 1 1 101 101 ALA H H 1 7.619 0.003 . 1 . . . A 101 ALA H . 25702 1 1059 . 1 1 101 101 ALA HA H 1 4.070 0.015 . 1 . . . A 101 ALA HA . 25702 1 1060 . 1 1 101 101 ALA HB1 H 1 1.325 0.012 . 1 . . . A 101 ALA HB1 . 25702 1 1061 . 1 1 101 101 ALA HB2 H 1 1.325 0.012 . 1 . . . A 101 ALA HB2 . 25702 1 1062 . 1 1 101 101 ALA HB3 H 1 1.325 0.012 . 1 . . . A 101 ALA HB3 . 25702 1 1063 . 1 1 101 101 ALA C C 13 178.213 0.000 . 1 . . . A 101 ALA C . 25702 1 1064 . 1 1 101 101 ALA CA C 13 53.884 0.108 . 1 . . . A 101 ALA CA . 25702 1 1065 . 1 1 101 101 ALA CB C 13 19.043 0.088 . 1 . . . A 101 ALA CB . 25702 1 1066 . 1 1 101 101 ALA N N 15 115.674 0.048 . 1 . . . A 101 ALA N . 25702 1 1067 . 1 1 102 102 ASN H H 1 7.116 0.008 . 1 . . . A 102 ASN H . 25702 1 1068 . 1 1 102 102 ASN HA H 1 4.784 0.015 . 1 . . . A 102 ASN HA . 25702 1 1069 . 1 1 102 102 ASN HB2 H 1 2.169 0.020 . 2 . . . A 102 ASN HB2 . 25702 1 1070 . 1 1 102 102 ASN HB3 H 1 2.521 0.017 . 2 . . . A 102 ASN HB3 . 25702 1 1071 . 1 1 102 102 ASN HD21 H 1 8.124 0.017 . 1 . . . A 102 ASN HD21 . 25702 1 1072 . 1 1 102 102 ASN HD22 H 1 7.113 0.011 . 1 . . . A 102 ASN HD22 . 25702 1 1073 . 1 1 102 102 ASN C C 13 172.740 0.000 . 1 . . . A 102 ASN C . 25702 1 1074 . 1 1 102 102 ASN CA C 13 54.300 0.163 . 1 . . . A 102 ASN CA . 25702 1 1075 . 1 1 102 102 ASN CB C 13 42.889 0.040 . 1 . . . A 102 ASN CB . 25702 1 1076 . 1 1 102 102 ASN N N 15 115.986 0.000 . 1 . . . A 102 ASN N . 25702 1 1077 . 1 1 102 102 ASN ND2 N 15 115.967 0.022 . 1 . . . A 102 ASN ND2 . 25702 1 1078 . 1 1 103 103 ALA H H 1 7.481 0.011 . 1 . . . A 103 ALA H . 25702 1 1079 . 1 1 103 103 ALA CA C 13 55.393 0.000 . 1 . . . A 103 ALA CA . 25702 1 1080 . 1 1 103 103 ALA CB C 13 18.868 0.000 . 1 . . . A 103 ALA CB . 25702 1 1081 . 1 1 103 103 ALA N N 15 129.212 0.022 . 1 . . . A 103 ALA N . 25702 1 stop_ save_