data_34142 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34142 _Entry.Title ; p130Cas SH3 domain PTP-PEST peptide chimera ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-05-22 _Entry.Accession_date 2017-05-22 _Entry.Last_release_date 2017-09-13 _Entry.Original_release_date 2017-09-13 _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 R. Hexnerova R. . . . 34142 2 V. Veverka V. . . . 34142 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'SH3 domain' . 34142 'STRUCTURE FROM CYANA 3.97' . 34142 p130Cas . 34142 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34142 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 385 34142 '15N chemical shifts' 86 34142 '1H chemical shifts' 633 34142 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-09-14 . original BMRB . 34142 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 34141 'CAS SH3 domain' 34142 BMRB 34143 'CAS SH3 domain Vinculin peptide chimera' 34142 PDB 5O2P 'BMRB Entry Tracking System' 34142 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34142 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/s41598-017-08303-4 _Citation.PubMed_ID 28808245 _Citation.Full_citation . _Citation.Title ; Structural characterization of CAS SH3 domain selectivity and regulation reveals new CAS interaction partners. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 7 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2045-2322 _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 8057 _Citation.Page_last 8057 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 J. Gemperle J. . . . 34142 1 2 R. Hexnerova R. . . . 34142 1 3 M. Lepsik M. . . . 34142 1 4 P. Tesina P. . . . 34142 1 5 M. Dibus M. . . . 34142 1 6 M. Novotny M. . . . 34142 1 7 J. Brabek J. . . . 34142 1 8 V. Veverka V. . . . 34142 1 9 D. Rosel D. . . . 34142 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34142 _Assembly.ID 1 _Assembly.Name 'Breast cancer anti-estrogen resistance 1,Tyrosine-protein phosphatase non-receptor type 12 (E.C.3.1.3.48)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34142 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34142 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSMKYLNVLAKALYDNVAES PDELSFRKGDIMTVLERDTQ GLDGWWLCSLHGRQGIVPGN RLKILVGMYDKKPAGSGGSG SGSEKQDSPPPKPPRTRSCL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.1.3.48 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10847.371 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CAS SH3 domain PTP-PEST peptide chimera' na 34142 1 PTP-PEST na 34142 1 PTPG1 na 34142 1 'Protein-tyrosine phosphatase G1' na 34142 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 34142 1 2 . SER . 34142 1 3 . MET . 34142 1 4 . LYS . 34142 1 5 . TYR . 34142 1 6 . LEU . 34142 1 7 . ASN . 34142 1 8 . VAL . 34142 1 9 . LEU . 34142 1 10 . ALA . 34142 1 11 . LYS . 34142 1 12 . ALA . 34142 1 13 . LEU . 34142 1 14 . TYR . 34142 1 15 . ASP . 34142 1 16 . ASN . 34142 1 17 . VAL . 34142 1 18 . ALA . 34142 1 19 . GLU . 34142 1 20 . SER . 34142 1 21 . PRO . 34142 1 22 . ASP . 34142 1 23 . GLU . 34142 1 24 . LEU . 34142 1 25 . SER . 34142 1 26 . PHE . 34142 1 27 . ARG . 34142 1 28 . LYS . 34142 1 29 . GLY . 34142 1 30 . ASP . 34142 1 31 . ILE . 34142 1 32 . MET . 34142 1 33 . THR . 34142 1 34 . VAL . 34142 1 35 . LEU . 34142 1 36 . GLU . 34142 1 37 . ARG . 34142 1 38 . ASP . 34142 1 39 . THR . 34142 1 40 . GLN . 34142 1 41 . GLY . 34142 1 42 . LEU . 34142 1 43 . ASP . 34142 1 44 . GLY . 34142 1 45 . TRP . 34142 1 46 . TRP . 34142 1 47 . LEU . 34142 1 48 . CYS . 34142 1 49 . SER . 34142 1 50 . LEU . 34142 1 51 . HIS . 34142 1 52 . GLY . 34142 1 53 . ARG . 34142 1 54 . GLN . 34142 1 55 . GLY . 34142 1 56 . ILE . 34142 1 57 . VAL . 34142 1 58 . PRO . 34142 1 59 . GLY . 34142 1 60 . ASN . 34142 1 61 . ARG . 34142 1 62 . LEU . 34142 1 63 . LYS . 34142 1 64 . ILE . 34142 1 65 . LEU . 34142 1 66 . VAL . 34142 1 67 . GLY . 34142 1 68 . MET . 34142 1 69 . TYR . 34142 1 70 . ASP . 34142 1 71 . LYS . 34142 1 72 . LYS . 34142 1 73 . PRO . 34142 1 74 . ALA . 34142 1 75 . GLY . 34142 1 76 . SER . 34142 1 77 . GLY . 34142 1 78 . GLY . 34142 1 79 . SER . 34142 1 80 . GLY . 34142 1 81 . SER . 34142 1 82 . GLY . 34142 1 83 . SER . 34142 1 84 . GLU . 34142 1 85 . LYS . 34142 1 86 . GLN . 34142 1 87 . ASP . 34142 1 88 . SER . 34142 1 89 . PRO . 34142 1 90 . PRO . 34142 1 91 . PRO . 34142 1 92 . LYS . 34142 1 93 . PRO . 34142 1 94 . PRO . 34142 1 95 . ARG . 34142 1 96 . THR . 34142 1 97 . ARG . 34142 1 98 . SER . 34142 1 99 . CYS . 34142 1 100 . LEU . 34142 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34142 1 . SER 2 2 34142 1 . MET 3 3 34142 1 . LYS 4 4 34142 1 . TYR 5 5 34142 1 . LEU 6 6 34142 1 . ASN 7 7 34142 1 . VAL 8 8 34142 1 . LEU 9 9 34142 1 . ALA 10 10 34142 1 . LYS 11 11 34142 1 . ALA 12 12 34142 1 . LEU 13 13 34142 1 . TYR 14 14 34142 1 . ASP 15 15 34142 1 . ASN 16 16 34142 1 . VAL 17 17 34142 1 . ALA 18 18 34142 1 . GLU 19 19 34142 1 . SER 20 20 34142 1 . PRO 21 21 34142 1 . ASP 22 22 34142 1 . GLU 23 23 34142 1 . LEU 24 24 34142 1 . SER 25 25 34142 1 . PHE 26 26 34142 1 . ARG 27 27 34142 1 . LYS 28 28 34142 1 . GLY 29 29 34142 1 . ASP 30 30 34142 1 . ILE 31 31 34142 1 . MET 32 32 34142 1 . THR 33 33 34142 1 . VAL 34 34 34142 1 . LEU 35 35 34142 1 . GLU 36 36 34142 1 . ARG 37 37 34142 1 . ASP 38 38 34142 1 . THR 39 39 34142 1 . GLN 40 40 34142 1 . GLY 41 41 34142 1 . LEU 42 42 34142 1 . ASP 43 43 34142 1 . GLY 44 44 34142 1 . TRP 45 45 34142 1 . TRP 46 46 34142 1 . LEU 47 47 34142 1 . CYS 48 48 34142 1 . SER 49 49 34142 1 . LEU 50 50 34142 1 . HIS 51 51 34142 1 . GLY 52 52 34142 1 . ARG 53 53 34142 1 . GLN 54 54 34142 1 . GLY 55 55 34142 1 . ILE 56 56 34142 1 . VAL 57 57 34142 1 . PRO 58 58 34142 1 . GLY 59 59 34142 1 . ASN 60 60 34142 1 . ARG 61 61 34142 1 . LEU 62 62 34142 1 . LYS 63 63 34142 1 . ILE 64 64 34142 1 . LEU 65 65 34142 1 . VAL 66 66 34142 1 . GLY 67 67 34142 1 . MET 68 68 34142 1 . TYR 69 69 34142 1 . ASP 70 70 34142 1 . LYS 71 71 34142 1 . LYS 72 72 34142 1 . PRO 73 73 34142 1 . ALA 74 74 34142 1 . GLY 75 75 34142 1 . SER 76 76 34142 1 . GLY 77 77 34142 1 . GLY 78 78 34142 1 . SER 79 79 34142 1 . GLY 80 80 34142 1 . SER 81 81 34142 1 . GLY 82 82 34142 1 . SER 83 83 34142 1 . GLU 84 84 34142 1 . LYS 85 85 34142 1 . GLN 86 86 34142 1 . ASP 87 87 34142 1 . SER 88 88 34142 1 . PRO 89 89 34142 1 . PRO 90 90 34142 1 . PRO 91 91 34142 1 . LYS 92 92 34142 1 . PRO 93 93 34142 1 . PRO 94 94 34142 1 . ARG 95 95 34142 1 . THR 96 96 34142 1 . ARG 97 97 34142 1 . SER 98 98 34142 1 . CYS 99 99 34142 1 . LEU 100 100 34142 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 34142 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . BCAR1 . 34142 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 34142 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34142 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34142 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '25 mM sodium phosphate, 1 M TCEP, 90% H2O/10% D2O' _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 entity_1 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.45 . . mM . . . . 34142 1 2 TCEP 'natural abundance' . . . . . . 1 . . M . . . . 34142 1 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 34142 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 34142 _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' 100 . mM 34142 1 pH 7.5 . pH 34142 1 pressure 1 . atm 34142 1 temperature 298 . K 34142 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34142 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34142 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34142 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34142 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34142 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34142 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34142 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34142 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 34142 3 processing 34142 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34142 _Software.ID 4 _Software.Name YASARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Krieger . . 34142 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34142 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34142 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34142 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 34142 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 600 . . . 34142 1 2 NMR_spectrometer_2 Bruker AvanceIII . 850 . . . 34142 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 34142 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34142 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34142 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34142 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34142 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34142 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34142 _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 0.000 internal indirect 0.25144953 . . . . . 34142 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34142 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34142 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34142 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34142 1 2 '3D HNCACB' . . . 34142 1 3 '3D CBCA(CO)NH' . . . 34142 1 4 '3D 1H-15N NOESY' . . . 34142 1 5 '3D 1H-13C NOESY' . . . 34142 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 4 4 LYS HA H 1 4.235 0.007 . . . . . A 4 LYS HA . 34142 1 2 . 1 1 4 4 LYS HB2 H 1 1.683 0.000 . . . . . A 4 LYS HB2 . 34142 1 3 . 1 1 4 4 LYS HB3 H 1 1.613 0.000 . . . . . A 4 LYS HB3 . 34142 1 4 . 1 1 4 4 LYS HG2 H 1 1.280 0.002 . . . . . A 4 LYS HG2 . 34142 1 5 . 1 1 4 4 LYS HG3 H 1 1.216 0.000 . . . . . A 4 LYS HG3 . 34142 1 6 . 1 1 4 4 LYS HD2 H 1 1.591 0.003 . . . . . A 4 LYS HD2 . 34142 1 7 . 1 1 4 4 LYS HD3 H 1 1.591 0.003 . . . . . A 4 LYS HD3 . 34142 1 8 . 1 1 4 4 LYS HE2 H 1 2.931 0.004 . . . . . A 4 LYS HE2 . 34142 1 9 . 1 1 4 4 LYS HE3 H 1 2.931 0.004 . . . . . A 4 LYS HE3 . 34142 1 10 . 1 1 4 4 LYS C C 13 176.099 0.004 . . . . . A 4 LYS C . 34142 1 11 . 1 1 4 4 LYS CA C 13 56.009 0.000 . . . . . A 4 LYS CA . 34142 1 12 . 1 1 4 4 LYS CB C 13 32.977 0.010 . . . . . A 4 LYS CB . 34142 1 13 . 1 1 4 4 LYS CG C 13 24.552 0.006 . . . . . A 4 LYS CG . 34142 1 14 . 1 1 4 4 LYS CD C 13 29.132 0.105 . . . . . A 4 LYS CD . 34142 1 15 . 1 1 4 4 LYS CE C 13 42.106 0.000 . . . . . A 4 LYS CE . 34142 1 16 . 1 1 5 5 TYR H H 1 8.020 0.003 . . . . . A 5 TYR H . 34142 1 17 . 1 1 5 5 TYR HA H 1 4.947 0.008 . . . . . A 5 TYR HA . 34142 1 18 . 1 1 5 5 TYR HB2 H 1 2.883 0.005 . . . . . A 5 TYR HB2 . 34142 1 19 . 1 1 5 5 TYR HB3 H 1 3.154 0.004 . . . . . A 5 TYR HB3 . 34142 1 20 . 1 1 5 5 TYR HD1 H 1 7.094 0.001 . . . . . A 5 TYR HD1 . 34142 1 21 . 1 1 5 5 TYR HD2 H 1 7.094 0.001 . . . . . A 5 TYR HD2 . 34142 1 22 . 1 1 5 5 TYR HE1 H 1 6.771 0.004 . . . . . A 5 TYR HE1 . 34142 1 23 . 1 1 5 5 TYR HE2 H 1 6.771 0.004 . . . . . A 5 TYR HE2 . 34142 1 24 . 1 1 5 5 TYR C C 13 176.373 0.001 . . . . . A 5 TYR C . 34142 1 25 . 1 1 5 5 TYR CA C 13 55.869 0.000 . . . . . A 5 TYR CA . 34142 1 26 . 1 1 5 5 TYR CB C 13 39.026 0.041 . . . . . A 5 TYR CB . 34142 1 27 . 1 1 5 5 TYR CD1 C 13 132.485 0.028 . . . . . A 5 TYR CD1 . 34142 1 28 . 1 1 5 5 TYR CE1 C 13 118.010 0.012 . . . . . A 5 TYR CE1 . 34142 1 29 . 1 1 5 5 TYR N N 15 120.944 0.023 . . . . . A 5 TYR N . 34142 1 30 . 1 1 6 6 LEU H H 1 8.593 0.002 . . . . . A 6 LEU H . 34142 1 31 . 1 1 6 6 LEU HA H 1 4.146 0.006 . . . . . A 6 LEU HA . 34142 1 32 . 1 1 6 6 LEU HB2 H 1 1.571 0.003 . . . . . A 6 LEU HB2 . 34142 1 33 . 1 1 6 6 LEU HB3 H 1 1.369 0.000 . . . . . A 6 LEU HB3 . 34142 1 34 . 1 1 6 6 LEU HG H 1 1.630 0.000 . . . . . A 6 LEU HG . 34142 1 35 . 1 1 6 6 LEU HD11 H 1 0.678 0.000 . . . . . A 6 LEU HD11 . 34142 1 36 . 1 1 6 6 LEU HD12 H 1 0.678 0.000 . . . . . A 6 LEU HD12 . 34142 1 37 . 1 1 6 6 LEU HD13 H 1 0.678 0.000 . . . . . A 6 LEU HD13 . 34142 1 38 . 1 1 6 6 LEU HD21 H 1 0.759 0.000 . . . . . A 6 LEU HD21 . 34142 1 39 . 1 1 6 6 LEU HD22 H 1 0.759 0.000 . . . . . A 6 LEU HD22 . 34142 1 40 . 1 1 6 6 LEU HD23 H 1 0.759 0.000 . . . . . A 6 LEU HD23 . 34142 1 41 . 1 1 6 6 LEU C C 13 176.985 0.003 . . . . . A 6 LEU C . 34142 1 42 . 1 1 6 6 LEU CA C 13 56.302 0.046 . . . . . A 6 LEU CA . 34142 1 43 . 1 1 6 6 LEU CB C 13 42.428 0.003 . . . . . A 6 LEU CB . 34142 1 44 . 1 1 6 6 LEU CG C 13 26.750 0.000 . . . . . A 6 LEU CG . 34142 1 45 . 1 1 6 6 LEU CD1 C 13 25.048 0.000 . . . . . A 6 LEU CD1 . 34142 1 46 . 1 1 6 6 LEU CD2 C 13 22.977 0.000 . . . . . A 6 LEU CD2 . 34142 1 47 . 1 1 6 6 LEU N N 15 121.773 0.026 . . . . . A 6 LEU N . 34142 1 48 . 1 1 7 7 ASN H H 1 8.030 0.003 . . . . . A 7 ASN H . 34142 1 49 . 1 1 7 7 ASN HA H 1 4.265 0.003 . . . . . A 7 ASN HA . 34142 1 50 . 1 1 7 7 ASN HB2 H 1 2.879 0.004 . . . . . A 7 ASN HB2 . 34142 1 51 . 1 1 7 7 ASN HB3 H 1 2.704 0.001 . . . . . A 7 ASN HB3 . 34142 1 52 . 1 1 7 7 ASN HD21 H 1 7.381 0.001 . . . . . A 7 ASN HD21 . 34142 1 53 . 1 1 7 7 ASN HD22 H 1 6.711 0.002 . . . . . A 7 ASN HD22 . 34142 1 54 . 1 1 7 7 ASN C C 13 174.440 0.002 . . . . . A 7 ASN C . 34142 1 55 . 1 1 7 7 ASN CA C 13 53.858 0.000 . . . . . A 7 ASN CA . 34142 1 56 . 1 1 7 7 ASN CB C 13 37.562 0.021 . . . . . A 7 ASN CB . 34142 1 57 . 1 1 7 7 ASN N N 15 114.653 0.022 . . . . . A 7 ASN N . 34142 1 58 . 1 1 7 7 ASN ND2 N 15 111.650 0.003 . . . . . A 7 ASN ND2 . 34142 1 59 . 1 1 8 8 VAL H H 1 7.418 0.005 . . . . . A 8 VAL H . 34142 1 60 . 1 1 8 8 VAL HA H 1 4.511 0.003 . . . . . A 8 VAL HA . 34142 1 61 . 1 1 8 8 VAL HB H 1 2.092 0.002 . . . . . A 8 VAL HB . 34142 1 62 . 1 1 8 8 VAL HG11 H 1 0.865 0.000 . . . . . A 8 VAL HG11 . 34142 1 63 . 1 1 8 8 VAL HG12 H 1 0.865 0.000 . . . . . A 8 VAL HG12 . 34142 1 64 . 1 1 8 8 VAL HG13 H 1 0.865 0.000 . . . . . A 8 VAL HG13 . 34142 1 65 . 1 1 8 8 VAL HG21 H 1 0.803 0.000 . . . . . A 8 VAL HG21 . 34142 1 66 . 1 1 8 8 VAL HG22 H 1 0.803 0.000 . . . . . A 8 VAL HG22 . 34142 1 67 . 1 1 8 8 VAL HG23 H 1 0.803 0.000 . . . . . A 8 VAL HG23 . 34142 1 68 . 1 1 8 8 VAL C C 13 174.260 0.004 . . . . . A 8 VAL C . 34142 1 69 . 1 1 8 8 VAL CA C 13 59.990 0.000 . . . . . A 8 VAL CA . 34142 1 70 . 1 1 8 8 VAL CB C 13 33.878 0.000 . . . . . A 8 VAL CB . 34142 1 71 . 1 1 8 8 VAL CG1 C 13 21.560 0.001 . . . . . A 8 VAL CG1 . 34142 1 72 . 1 1 8 8 VAL CG2 C 13 20.015 0.000 . . . . . A 8 VAL CG2 . 34142 1 73 . 1 1 8 8 VAL N N 15 114.596 0.021 . . . . . A 8 VAL N . 34142 1 74 . 1 1 9 9 LEU H H 1 8.473 0.003 . . . . . A 9 LEU H . 34142 1 75 . 1 1 9 9 LEU HA H 1 5.071 0.003 . . . . . A 9 LEU HA . 34142 1 76 . 1 1 9 9 LEU HB2 H 1 1.773 0.000 . . . . . A 9 LEU HB2 . 34142 1 77 . 1 1 9 9 LEU HB3 H 1 1.234 0.000 . . . . . A 9 LEU HB3 . 34142 1 78 . 1 1 9 9 LEU HG H 1 1.679 0.000 . . . . . A 9 LEU HG . 34142 1 79 . 1 1 9 9 LEU HD11 H 1 0.830 0.000 . . . . . A 9 LEU HD11 . 34142 1 80 . 1 1 9 9 LEU HD12 H 1 0.830 0.000 . . . . . A 9 LEU HD12 . 34142 1 81 . 1 1 9 9 LEU HD13 H 1 0.830 0.000 . . . . . A 9 LEU HD13 . 34142 1 82 . 1 1 9 9 LEU HD21 H 1 0.717 0.001 . . . . . A 9 LEU HD21 . 34142 1 83 . 1 1 9 9 LEU HD22 H 1 0.717 0.001 . . . . . A 9 LEU HD22 . 34142 1 84 . 1 1 9 9 LEU HD23 H 1 0.717 0.001 . . . . . A 9 LEU HD23 . 34142 1 85 . 1 1 9 9 LEU C C 13 176.347 0.005 . . . . . A 9 LEU C . 34142 1 86 . 1 1 9 9 LEU CA C 13 54.149 0.000 . . . . . A 9 LEU CA . 34142 1 87 . 1 1 9 9 LEU CB C 13 44.427 0.006 . . . . . A 9 LEU CB . 34142 1 88 . 1 1 9 9 LEU CG C 13 27.027 0.000 . . . . . A 9 LEU CG . 34142 1 89 . 1 1 9 9 LEU CD1 C 13 25.416 0.000 . . . . . A 9 LEU CD1 . 34142 1 90 . 1 1 9 9 LEU CD2 C 13 23.207 0.034 . . . . . A 9 LEU CD2 . 34142 1 91 . 1 1 9 9 LEU N N 15 124.218 0.057 . . . . . A 9 LEU N . 34142 1 92 . 1 1 10 10 ALA H H 1 9.137 0.004 . . . . . A 10 ALA H . 34142 1 93 . 1 1 10 10 ALA HA H 1 5.111 0.002 . . . . . A 10 ALA HA . 34142 1 94 . 1 1 10 10 ALA HB1 H 1 1.150 0.001 . . . . . A 10 ALA HB1 . 34142 1 95 . 1 1 10 10 ALA HB2 H 1 1.150 0.001 . . . . . A 10 ALA HB2 . 34142 1 96 . 1 1 10 10 ALA HB3 H 1 1.150 0.001 . . . . . A 10 ALA HB3 . 34142 1 97 . 1 1 10 10 ALA C C 13 174.163 0.005 . . . . . A 10 ALA C . 34142 1 98 . 1 1 10 10 ALA CA C 13 50.461 0.058 . . . . . A 10 ALA CA . 34142 1 99 . 1 1 10 10 ALA CB C 13 24.889 0.001 . . . . . A 10 ALA CB . 34142 1 100 . 1 1 10 10 ALA N N 15 121.085 0.033 . . . . . A 10 ALA N . 34142 1 101 . 1 1 11 11 LYS H H 1 8.817 0.005 . . . . . A 11 LYS H . 34142 1 102 . 1 1 11 11 LYS HA H 1 5.185 0.003 . . . . . A 11 LYS HA . 34142 1 103 . 1 1 11 11 LYS HB2 H 1 1.581 0.006 . . . . . A 11 LYS HB2 . 34142 1 104 . 1 1 11 11 LYS HB3 H 1 1.469 0.000 . . . . . A 11 LYS HB3 . 34142 1 105 . 1 1 11 11 LYS HG2 H 1 1.254 0.000 . . . . . A 11 LYS HG2 . 34142 1 106 . 1 1 11 11 LYS HG3 H 1 1.177 0.000 . . . . . A 11 LYS HG3 . 34142 1 107 . 1 1 11 11 LYS HD2 H 1 1.612 0.000 . . . . . A 11 LYS HD2 . 34142 1 108 . 1 1 11 11 LYS HD3 H 1 1.612 0.000 . . . . . A 11 LYS HD3 . 34142 1 109 . 1 1 11 11 LYS HE2 H 1 2.859 0.001 . . . . . A 11 LYS HE2 . 34142 1 110 . 1 1 11 11 LYS HE3 H 1 2.859 0.001 . . . . . A 11 LYS HE3 . 34142 1 111 . 1 1 11 11 LYS C C 13 175.760 0.005 . . . . . A 11 LYS C . 34142 1 112 . 1 1 11 11 LYS CA C 13 53.267 0.000 . . . . . A 11 LYS CA . 34142 1 113 . 1 1 11 11 LYS CB C 13 37.081 0.004 . . . . . A 11 LYS CB . 34142 1 114 . 1 1 11 11 LYS CG C 13 24.627 0.015 . . . . . A 11 LYS CG . 34142 1 115 . 1 1 11 11 LYS CD C 13 29.915 0.000 . . . . . A 11 LYS CD . 34142 1 116 . 1 1 11 11 LYS CE C 13 42.005 0.048 . . . . . A 11 LYS CE . 34142 1 117 . 1 1 11 11 LYS N N 15 119.774 0.018 . . . . . A 11 LYS N . 34142 1 118 . 1 1 12 12 ALA H H 1 9.020 0.004 . . . . . A 12 ALA H . 34142 1 119 . 1 1 12 12 ALA HA H 1 4.500 0.002 . . . . . A 12 ALA HA . 34142 1 120 . 1 1 12 12 ALA HB1 H 1 1.553 0.002 . . . . . A 12 ALA HB1 . 34142 1 121 . 1 1 12 12 ALA HB2 H 1 1.553 0.002 . . . . . A 12 ALA HB2 . 34142 1 122 . 1 1 12 12 ALA HB3 H 1 1.553 0.002 . . . . . A 12 ALA HB3 . 34142 1 123 . 1 1 12 12 ALA C C 13 179.185 0.002 . . . . . A 12 ALA C . 34142 1 124 . 1 1 12 12 ALA CA C 13 52.294 0.000 . . . . . A 12 ALA CA . 34142 1 125 . 1 1 12 12 ALA CB C 13 20.909 0.002 . . . . . A 12 ALA CB . 34142 1 126 . 1 1 12 12 ALA N N 15 126.686 0.016 . . . . . A 12 ALA N . 34142 1 127 . 1 1 13 13 LEU H H 1 9.418 0.002 . . . . . A 13 LEU H . 34142 1 128 . 1 1 13 13 LEU HA H 1 3.971 0.003 . . . . . A 13 LEU HA . 34142 1 129 . 1 1 13 13 LEU HB2 H 1 1.321 0.000 . . . . . A 13 LEU HB2 . 34142 1 130 . 1 1 13 13 LEU HB3 H 1 0.867 0.000 . . . . . A 13 LEU HB3 . 34142 1 131 . 1 1 13 13 LEU HG H 1 1.377 0.006 . . . . . A 13 LEU HG . 34142 1 132 . 1 1 13 13 LEU HD11 H 1 0.718 0.000 . . . . . A 13 LEU HD11 . 34142 1 133 . 1 1 13 13 LEU HD12 H 1 0.718 0.000 . . . . . A 13 LEU HD12 . 34142 1 134 . 1 1 13 13 LEU HD13 H 1 0.718 0.000 . . . . . A 13 LEU HD13 . 34142 1 135 . 1 1 13 13 LEU HD21 H 1 0.668 0.000 . . . . . A 13 LEU HD21 . 34142 1 136 . 1 1 13 13 LEU HD22 H 1 0.668 0.000 . . . . . A 13 LEU HD22 . 34142 1 137 . 1 1 13 13 LEU HD23 H 1 0.668 0.000 . . . . . A 13 LEU HD23 . 34142 1 138 . 1 1 13 13 LEU C C 13 174.598 0.015 . . . . . A 13 LEU C . 34142 1 139 . 1 1 13 13 LEU CA C 13 55.257 0.000 . . . . . A 13 LEU CA . 34142 1 140 . 1 1 13 13 LEU CB C 13 44.181 0.005 . . . . . A 13 LEU CB . 34142 1 141 . 1 1 13 13 LEU CG C 13 26.683 0.027 . . . . . A 13 LEU CG . 34142 1 142 . 1 1 13 13 LEU CD1 C 13 25.601 0.000 . . . . . A 13 LEU CD1 . 34142 1 143 . 1 1 13 13 LEU CD2 C 13 21.982 0.000 . . . . . A 13 LEU CD2 . 34142 1 144 . 1 1 13 13 LEU N N 15 127.021 0.028 . . . . . A 13 LEU N . 34142 1 145 . 1 1 14 14 TYR H H 1 7.328 0.005 . . . . . A 14 TYR H . 34142 1 146 . 1 1 14 14 TYR HA H 1 4.710 0.012 . . . . . A 14 TYR HA . 34142 1 147 . 1 1 14 14 TYR HB2 H 1 3.522 0.001 . . . . . A 14 TYR HB2 . 34142 1 148 . 1 1 14 14 TYR HB3 H 1 2.234 0.003 . . . . . A 14 TYR HB3 . 34142 1 149 . 1 1 14 14 TYR HD1 H 1 7.018 0.004 . . . . . A 14 TYR HD1 . 34142 1 150 . 1 1 14 14 TYR HD2 H 1 7.018 0.004 . . . . . A 14 TYR HD2 . 34142 1 151 . 1 1 14 14 TYR HE1 H 1 6.704 0.000 . . . . . A 14 TYR HE1 . 34142 1 152 . 1 1 14 14 TYR HE2 H 1 6.704 0.000 . . . . . A 14 TYR HE2 . 34142 1 153 . 1 1 14 14 TYR C C 13 173.581 0.007 . . . . . A 14 TYR C . 34142 1 154 . 1 1 14 14 TYR CA C 13 55.035 0.000 . . . . . A 14 TYR CA . 34142 1 155 . 1 1 14 14 TYR CB C 13 44.721 0.031 . . . . . A 14 TYR CB . 34142 1 156 . 1 1 14 14 TYR CD1 C 13 133.654 0.000 . . . . . A 14 TYR CD1 . 34142 1 157 . 1 1 14 14 TYR CE1 C 13 118.508 0.000 . . . . . A 14 TYR CE1 . 34142 1 158 . 1 1 14 14 TYR N N 15 111.551 0.021 . . . . . A 14 TYR N . 34142 1 159 . 1 1 15 15 ASP H H 1 8.414 0.002 . . . . . A 15 ASP H . 34142 1 160 . 1 1 15 15 ASP HA H 1 4.582 0.000 . . . . . A 15 ASP HA . 34142 1 161 . 1 1 15 15 ASP HB2 H 1 2.717 0.009 . . . . . A 15 ASP HB2 . 34142 1 162 . 1 1 15 15 ASP HB3 H 1 2.565 0.002 . . . . . A 15 ASP HB3 . 34142 1 163 . 1 1 15 15 ASP C C 13 175.549 0.003 . . . . . A 15 ASP C . 34142 1 164 . 1 1 15 15 ASP CA C 13 54.514 0.000 . . . . . A 15 ASP CA . 34142 1 165 . 1 1 15 15 ASP CB C 13 42.024 0.009 . . . . . A 15 ASP CB . 34142 1 166 . 1 1 15 15 ASP N N 15 117.095 0.027 . . . . . A 15 ASP N . 34142 1 167 . 1 1 16 16 ASN H H 1 8.427 0.004 . . . . . A 16 ASN H . 34142 1 168 . 1 1 16 16 ASN HA H 1 4.459 0.000 . . . . . A 16 ASN HA . 34142 1 169 . 1 1 16 16 ASN HB2 H 1 1.271 0.000 . . . . . A 16 ASN HB2 . 34142 1 170 . 1 1 16 16 ASN HB3 H 1 0.677 0.000 . . . . . A 16 ASN HB3 . 34142 1 171 . 1 1 16 16 ASN HD21 H 1 8.122 0.004 . . . . . A 16 ASN HD21 . 34142 1 172 . 1 1 16 16 ASN HD22 H 1 7.081 0.003 . . . . . A 16 ASN HD22 . 34142 1 173 . 1 1 16 16 ASN C C 13 173.482 0.003 . . . . . A 16 ASN C . 34142 1 174 . 1 1 16 16 ASN CA C 13 54.317 0.000 . . . . . A 16 ASN CA . 34142 1 175 . 1 1 16 16 ASN CB C 13 43.650 0.000 . . . . . A 16 ASN CB . 34142 1 176 . 1 1 16 16 ASN N N 15 116.589 0.023 . . . . . A 16 ASN N . 34142 1 177 . 1 1 16 16 ASN ND2 N 15 113.299 0.011 . . . . . A 16 ASN ND2 . 34142 1 178 . 1 1 17 17 VAL H H 1 8.563 0.005 . . . . . A 17 VAL H . 34142 1 179 . 1 1 17 17 VAL HA H 1 4.048 0.004 . . . . . A 17 VAL HA . 34142 1 180 . 1 1 17 17 VAL HB H 1 1.838 0.003 . . . . . A 17 VAL HB . 34142 1 181 . 1 1 17 17 VAL HG11 H 1 0.840 0.003 . . . . . A 17 VAL HG11 . 34142 1 182 . 1 1 17 17 VAL HG12 H 1 0.840 0.003 . . . . . A 17 VAL HG12 . 34142 1 183 . 1 1 17 17 VAL HG13 H 1 0.840 0.003 . . . . . A 17 VAL HG13 . 34142 1 184 . 1 1 17 17 VAL HG21 H 1 0.840 0.003 . . . . . A 17 VAL HG21 . 34142 1 185 . 1 1 17 17 VAL HG22 H 1 0.840 0.003 . . . . . A 17 VAL HG22 . 34142 1 186 . 1 1 17 17 VAL HG23 H 1 0.840 0.003 . . . . . A 17 VAL HG23 . 34142 1 187 . 1 1 17 17 VAL C C 13 175.065 0.007 . . . . . A 17 VAL C . 34142 1 188 . 1 1 17 17 VAL CA C 13 61.058 0.000 . . . . . A 17 VAL CA . 34142 1 189 . 1 1 17 17 VAL CB C 13 32.699 0.000 . . . . . A 17 VAL CB . 34142 1 190 . 1 1 17 17 VAL CG1 C 13 20.802 0.000 . . . . . A 17 VAL CG1 . 34142 1 191 . 1 1 17 17 VAL N N 15 128.680 0.024 . . . . . A 17 VAL N . 34142 1 192 . 1 1 18 18 ALA H H 1 8.250 0.003 . . . . . A 18 ALA H . 34142 1 193 . 1 1 18 18 ALA HA H 1 3.663 0.003 . . . . . A 18 ALA HA . 34142 1 194 . 1 1 18 18 ALA HB1 H 1 1.352 0.003 . . . . . A 18 ALA HB1 . 34142 1 195 . 1 1 18 18 ALA HB2 H 1 1.352 0.003 . . . . . A 18 ALA HB2 . 34142 1 196 . 1 1 18 18 ALA HB3 H 1 1.352 0.003 . . . . . A 18 ALA HB3 . 34142 1 197 . 1 1 18 18 ALA C C 13 178.653 0.005 . . . . . A 18 ALA C . 34142 1 198 . 1 1 18 18 ALA CA C 13 53.019 0.000 . . . . . A 18 ALA CA . 34142 1 199 . 1 1 18 18 ALA CB C 13 20.376 0.000 . . . . . A 18 ALA CB . 34142 1 200 . 1 1 18 18 ALA N N 15 128.883 0.025 . . . . . A 18 ALA N . 34142 1 201 . 1 1 19 19 GLU H H 1 9.094 0.003 . . . . . A 19 GLU H . 34142 1 202 . 1 1 19 19 GLU HA H 1 4.394 0.002 . . . . . A 19 GLU HA . 34142 1 203 . 1 1 19 19 GLU HB2 H 1 2.342 0.001 . . . . . A 19 GLU HB2 . 34142 1 204 . 1 1 19 19 GLU HB3 H 1 1.893 0.001 . . . . . A 19 GLU HB3 . 34142 1 205 . 1 1 19 19 GLU HG2 H 1 2.218 0.000 . . . . . A 19 GLU HG2 . 34142 1 206 . 1 1 19 19 GLU HG3 H 1 2.218 0.000 . . . . . A 19 GLU HG3 . 34142 1 207 . 1 1 19 19 GLU C C 13 175.053 0.021 . . . . . A 19 GLU C . 34142 1 208 . 1 1 19 19 GLU CA C 13 55.710 0.000 . . . . . A 19 GLU CA . 34142 1 209 . 1 1 19 19 GLU CB C 13 32.088 0.045 . . . . . A 19 GLU CB . 34142 1 210 . 1 1 19 19 GLU CG C 13 38.072 0.022 . . . . . A 19 GLU CG . 34142 1 211 . 1 1 19 19 GLU N N 15 121.318 0.022 . . . . . A 19 GLU N . 34142 1 212 . 1 1 20 20 SER H H 1 7.657 0.004 . . . . . A 20 SER H . 34142 1 213 . 1 1 20 20 SER HA H 1 4.924 0.002 . . . . . A 20 SER HA . 34142 1 214 . 1 1 20 20 SER HB2 H 1 3.882 0.000 . . . . . A 20 SER HB2 . 34142 1 215 . 1 1 20 20 SER HB3 H 1 3.734 0.002 . . . . . A 20 SER HB3 . 34142 1 216 . 1 1 20 20 SER C C 13 173.757 0.000 . . . . . A 20 SER C . 34142 1 217 . 1 1 20 20 SER CA C 13 56.357 0.000 . . . . . A 20 SER CA . 34142 1 218 . 1 1 20 20 SER CB C 13 64.131 0.009 . . . . . A 20 SER CB . 34142 1 219 . 1 1 20 20 SER N N 15 114.369 0.031 . . . . . A 20 SER N . 34142 1 220 . 1 1 21 21 PRO HA H 1 4.427 0.000 . . . . . A 21 PRO HA . 34142 1 221 . 1 1 21 21 PRO HB2 H 1 2.405 0.002 . . . . . A 21 PRO HB2 . 34142 1 222 . 1 1 21 21 PRO HB3 H 1 1.957 0.000 . . . . . A 21 PRO HB3 . 34142 1 223 . 1 1 21 21 PRO HG2 H 1 2.053 0.000 . . . . . A 21 PRO HG2 . 34142 1 224 . 1 1 21 21 PRO HG3 H 1 1.989 0.000 . . . . . A 21 PRO HG3 . 34142 1 225 . 1 1 21 21 PRO HD2 H 1 3.842 0.000 . . . . . A 21 PRO HD2 . 34142 1 226 . 1 1 21 21 PRO HD3 H 1 3.762 0.000 . . . . . A 21 PRO HD3 . 34142 1 227 . 1 1 21 21 PRO C C 13 176.331 0.005 . . . . . A 21 PRO C . 34142 1 228 . 1 1 21 21 PRO CA C 13 64.903 0.000 . . . . . A 21 PRO CA . 34142 1 229 . 1 1 21 21 PRO CB C 13 32.022 0.002 . . . . . A 21 PRO CB . 34142 1 230 . 1 1 21 21 PRO CG C 13 27.578 0.015 . . . . . A 21 PRO CG . 34142 1 231 . 1 1 21 21 PRO CD C 13 51.021 0.036 . . . . . A 21 PRO CD . 34142 1 232 . 1 1 22 22 ASP H H 1 8.296 0.005 . . . . . A 22 ASP H . 34142 1 233 . 1 1 22 22 ASP HA H 1 4.590 0.008 . . . . . A 22 ASP HA . 34142 1 234 . 1 1 22 22 ASP HB2 H 1 2.788 0.009 . . . . . A 22 ASP HB2 . 34142 1 235 . 1 1 22 22 ASP HB3 H 1 2.627 0.014 . . . . . A 22 ASP HB3 . 34142 1 236 . 1 1 22 22 ASP C C 13 174.772 0.003 . . . . . A 22 ASP C . 34142 1 237 . 1 1 22 22 ASP CA C 13 53.056 0.000 . . . . . A 22 ASP CA . 34142 1 238 . 1 1 22 22 ASP CB C 13 39.939 0.025 . . . . . A 22 ASP CB . 34142 1 239 . 1 1 22 22 ASP N N 15 112.538 0.029 . . . . . A 22 ASP N . 34142 1 240 . 1 1 23 23 GLU H H 1 7.521 0.006 . . . . . A 23 GLU H . 34142 1 241 . 1 1 23 23 GLU HA H 1 5.064 0.003 . . . . . A 23 GLU HA . 34142 1 242 . 1 1 23 23 GLU HB2 H 1 2.151 0.000 . . . . . A 23 GLU HB2 . 34142 1 243 . 1 1 23 23 GLU HB3 H 1 1.702 0.000 . . . . . A 23 GLU HB3 . 34142 1 244 . 1 1 23 23 GLU HG2 H 1 2.952 0.000 . . . . . A 23 GLU HG2 . 34142 1 245 . 1 1 23 23 GLU HG3 H 1 2.445 0.000 . . . . . A 23 GLU HG3 . 34142 1 246 . 1 1 23 23 GLU C C 13 175.389 0.004 . . . . . A 23 GLU C . 34142 1 247 . 1 1 23 23 GLU CA C 13 54.385 0.000 . . . . . A 23 GLU CA . 34142 1 248 . 1 1 23 23 GLU CB C 13 32.070 0.040 . . . . . A 23 GLU CB . 34142 1 249 . 1 1 23 23 GLU CG C 13 35.982 0.064 . . . . . A 23 GLU CG . 34142 1 250 . 1 1 23 23 GLU N N 15 123.835 0.017 . . . . . A 23 GLU N . 34142 1 251 . 1 1 24 24 LEU H H 1 8.138 0.003 . . . . . A 24 LEU H . 34142 1 252 . 1 1 24 24 LEU HA H 1 4.625 0.001 . . . . . A 24 LEU HA . 34142 1 253 . 1 1 24 24 LEU HB2 H 1 1.677 0.000 . . . . . A 24 LEU HB2 . 34142 1 254 . 1 1 24 24 LEU HB3 H 1 1.543 0.001 . . . . . A 24 LEU HB3 . 34142 1 255 . 1 1 24 24 LEU HG H 1 1.416 0.000 . . . . . A 24 LEU HG . 34142 1 256 . 1 1 24 24 LEU HD11 H 1 0.781 0.000 . . . . . A 24 LEU HD11 . 34142 1 257 . 1 1 24 24 LEU HD12 H 1 0.781 0.000 . . . . . A 24 LEU HD12 . 34142 1 258 . 1 1 24 24 LEU HD13 H 1 0.781 0.000 . . . . . A 24 LEU HD13 . 34142 1 259 . 1 1 24 24 LEU HD21 H 1 0.772 0.000 . . . . . A 24 LEU HD21 . 34142 1 260 . 1 1 24 24 LEU HD22 H 1 0.772 0.000 . . . . . A 24 LEU HD22 . 34142 1 261 . 1 1 24 24 LEU HD23 H 1 0.772 0.000 . . . . . A 24 LEU HD23 . 34142 1 262 . 1 1 24 24 LEU C C 13 177.054 0.002 . . . . . A 24 LEU C . 34142 1 263 . 1 1 24 24 LEU CA C 13 54.473 0.000 . . . . . A 24 LEU CA . 34142 1 264 . 1 1 24 24 LEU CB C 13 43.503 0.007 . . . . . A 24 LEU CB . 34142 1 265 . 1 1 24 24 LEU CG C 13 26.758 0.000 . . . . . A 24 LEU CG . 34142 1 266 . 1 1 24 24 LEU CD1 C 13 25.533 0.000 . . . . . A 24 LEU CD1 . 34142 1 267 . 1 1 24 24 LEU CD2 C 13 22.596 0.000 . . . . . A 24 LEU CD2 . 34142 1 268 . 1 1 24 24 LEU N N 15 123.602 0.016 . . . . . A 24 LEU N . 34142 1 269 . 1 1 25 25 SER H H 1 8.081 0.004 . . . . . A 25 SER H . 34142 1 270 . 1 1 25 25 SER HA H 1 4.643 0.001 . . . . . A 25 SER HA . 34142 1 271 . 1 1 25 25 SER HB2 H 1 4.022 0.000 . . . . . A 25 SER HB2 . 34142 1 272 . 1 1 25 25 SER HB3 H 1 3.846 0.002 . . . . . A 25 SER HB3 . 34142 1 273 . 1 1 25 25 SER C C 13 173.641 0.008 . . . . . A 25 SER C . 34142 1 274 . 1 1 25 25 SER CA C 13 57.704 0.000 . . . . . A 25 SER CA . 34142 1 275 . 1 1 25 25 SER CB C 13 64.565 0.072 . . . . . A 25 SER CB . 34142 1 276 . 1 1 25 25 SER N N 15 117.200 0.032 . . . . . A 25 SER N . 34142 1 277 . 1 1 26 26 PHE H H 1 8.507 0.005 . . . . . A 26 PHE H . 34142 1 278 . 1 1 26 26 PHE HA H 1 4.850 0.001 . . . . . A 26 PHE HA . 34142 1 279 . 1 1 26 26 PHE HB2 H 1 3.439 0.000 . . . . . A 26 PHE HB2 . 34142 1 280 . 1 1 26 26 PHE HB3 H 1 3.372 0.000 . . . . . A 26 PHE HB3 . 34142 1 281 . 1 1 26 26 PHE HD1 H 1 6.821 0.005 . . . . . A 26 PHE HD1 . 34142 1 282 . 1 1 26 26 PHE HD2 H 1 6.821 0.005 . . . . . A 26 PHE HD2 . 34142 1 283 . 1 1 26 26 PHE HE1 H 1 7.354 0.004 . . . . . A 26 PHE HE1 . 34142 1 284 . 1 1 26 26 PHE HE2 H 1 7.354 0.004 . . . . . A 26 PHE HE2 . 34142 1 285 . 1 1 26 26 PHE HZ H 1 6.758 0.000 . . . . . A 26 PHE HZ . 34142 1 286 . 1 1 26 26 PHE C C 13 173.579 0.002 . . . . . A 26 PHE C . 34142 1 287 . 1 1 26 26 PHE CA C 13 56.684 0.000 . . . . . A 26 PHE CA . 34142 1 288 . 1 1 26 26 PHE CB C 13 39.223 0.011 . . . . . A 26 PHE CB . 34142 1 289 . 1 1 26 26 PHE CD1 C 13 133.519 0.000 . . . . . A 26 PHE CD1 . 34142 1 290 . 1 1 26 26 PHE CE1 C 13 131.924 0.000 . . . . . A 26 PHE CE1 . 34142 1 291 . 1 1 26 26 PHE CZ C 13 128.677 0.000 . . . . . A 26 PHE CZ . 34142 1 292 . 1 1 26 26 PHE N N 15 116.106 0.015 . . . . . A 26 PHE N . 34142 1 293 . 1 1 27 27 ARG H H 1 9.473 0.005 . . . . . A 27 ARG H . 34142 1 294 . 1 1 27 27 ARG HA H 1 5.062 0.005 . . . . . A 27 ARG HA . 34142 1 295 . 1 1 27 27 ARG HB2 H 1 1.863 0.000 . . . . . A 27 ARG HB2 . 34142 1 296 . 1 1 27 27 ARG HB3 H 1 1.776 0.000 . . . . . A 27 ARG HB3 . 34142 1 297 . 1 1 27 27 ARG HG2 H 1 1.743 0.000 . . . . . A 27 ARG HG2 . 34142 1 298 . 1 1 27 27 ARG HG3 H 1 1.648 0.003 . . . . . A 27 ARG HG3 . 34142 1 299 . 1 1 27 27 ARG HD2 H 1 3.215 0.000 . . . . . A 27 ARG HD2 . 34142 1 300 . 1 1 27 27 ARG HD3 H 1 3.215 0.000 . . . . . A 27 ARG HD3 . 34142 1 301 . 1 1 27 27 ARG C C 13 175.566 0.006 . . . . . A 27 ARG C . 34142 1 302 . 1 1 27 27 ARG CA C 13 53.150 0.000 . . . . . A 27 ARG CA . 34142 1 303 . 1 1 27 27 ARG CB C 13 32.967 0.013 . . . . . A 27 ARG CB . 34142 1 304 . 1 1 27 27 ARG CG C 13 26.962 0.009 . . . . . A 27 ARG CG . 34142 1 305 . 1 1 27 27 ARG CD C 13 42.922 0.000 . . . . . A 27 ARG CD . 34142 1 306 . 1 1 27 27 ARG N N 15 121.205 0.028 . . . . . A 27 ARG N . 34142 1 307 . 1 1 28 28 LYS H H 1 9.089 0.002 . . . . . A 28 LYS H . 34142 1 308 . 1 1 28 28 LYS HA H 1 3.312 0.002 . . . . . A 28 LYS HA . 34142 1 309 . 1 1 28 28 LYS HB2 H 1 1.625 0.000 . . . . . A 28 LYS HB2 . 34142 1 310 . 1 1 28 28 LYS HB3 H 1 1.452 0.000 . . . . . A 28 LYS HB3 . 34142 1 311 . 1 1 28 28 LYS HG2 H 1 1.147 0.000 . . . . . A 28 LYS HG2 . 34142 1 312 . 1 1 28 28 LYS HG3 H 1 1.019 0.000 . . . . . A 28 LYS HG3 . 34142 1 313 . 1 1 28 28 LYS HD2 H 1 1.600 0.002 . . . . . A 28 LYS HD2 . 34142 1 314 . 1 1 28 28 LYS HD3 H 1 1.600 0.002 . . . . . A 28 LYS HD3 . 34142 1 315 . 1 1 28 28 LYS HE2 H 1 2.921 0.000 . . . . . A 28 LYS HE2 . 34142 1 316 . 1 1 28 28 LYS HE3 H 1 2.878 0.000 . . . . . A 28 LYS HE3 . 34142 1 317 . 1 1 28 28 LYS C C 13 177.073 0.010 . . . . . A 28 LYS C . 34142 1 318 . 1 1 28 28 LYS CA C 13 58.792 0.000 . . . . . A 28 LYS CA . 34142 1 319 . 1 1 28 28 LYS CB C 13 32.568 0.003 . . . . . A 28 LYS CB . 34142 1 320 . 1 1 28 28 LYS CG C 13 24.687 0.080 . . . . . A 28 LYS CG . 34142 1 321 . 1 1 28 28 LYS CD C 13 29.823 0.000 . . . . . A 28 LYS CD . 34142 1 322 . 1 1 28 28 LYS CE C 13 41.986 0.015 . . . . . A 28 LYS CE . 34142 1 323 . 1 1 28 28 LYS N N 15 122.045 0.044 . . . . . A 28 LYS N . 34142 1 324 . 1 1 29 29 GLY H H 1 8.921 0.004 . . . . . A 29 GLY H . 34142 1 325 . 1 1 29 29 GLY HA2 H 1 3.359 0.004 . . . . . A 29 GLY HA2 . 34142 1 326 . 1 1 29 29 GLY HA3 H 1 4.528 0.002 . . . . . A 29 GLY HA3 . 34142 1 327 . 1 1 29 29 GLY C C 13 174.182 0.007 . . . . . A 29 GLY C . 34142 1 328 . 1 1 29 29 GLY CA C 13 44.935 0.033 . . . . . A 29 GLY CA . 34142 1 329 . 1 1 29 29 GLY N N 15 115.597 0.033 . . . . . A 29 GLY N . 34142 1 330 . 1 1 30 30 ASP H H 1 8.489 0.003 . . . . . A 30 ASP H . 34142 1 331 . 1 1 30 30 ASP HA H 1 4.568 0.005 . . . . . A 30 ASP HA . 34142 1 332 . 1 1 30 30 ASP HB2 H 1 2.798 0.004 . . . . . A 30 ASP HB2 . 34142 1 333 . 1 1 30 30 ASP HB3 H 1 2.376 0.003 . . . . . A 30 ASP HB3 . 34142 1 334 . 1 1 30 30 ASP C C 13 174.975 0.005 . . . . . A 30 ASP C . 34142 1 335 . 1 1 30 30 ASP CA C 13 56.116 0.058 . . . . . A 30 ASP CA . 34142 1 336 . 1 1 30 30 ASP CB C 13 41.524 0.011 . . . . . A 30 ASP CB . 34142 1 337 . 1 1 30 30 ASP N N 15 122.655 0.021 . . . . . A 30 ASP N . 34142 1 338 . 1 1 31 31 ILE H H 1 8.158 0.002 . . . . . A 31 ILE H . 34142 1 339 . 1 1 31 31 ILE HA H 1 4.966 0.002 . . . . . A 31 ILE HA . 34142 1 340 . 1 1 31 31 ILE HB H 1 1.762 0.000 . . . . . A 31 ILE HB . 34142 1 341 . 1 1 31 31 ILE HG12 H 1 1.680 0.000 . . . . . A 31 ILE HG12 . 34142 1 342 . 1 1 31 31 ILE HG13 H 1 1.108 0.000 . . . . . A 31 ILE HG13 . 34142 1 343 . 1 1 31 31 ILE HG21 H 1 0.848 0.000 . . . . . A 31 ILE HG21 . 34142 1 344 . 1 1 31 31 ILE HG22 H 1 0.848 0.000 . . . . . A 31 ILE HG22 . 34142 1 345 . 1 1 31 31 ILE HG23 H 1 0.848 0.000 . . . . . A 31 ILE HG23 . 34142 1 346 . 1 1 31 31 ILE HD11 H 1 0.819 0.000 . . . . . A 31 ILE HD11 . 34142 1 347 . 1 1 31 31 ILE HD12 H 1 0.819 0.000 . . . . . A 31 ILE HD12 . 34142 1 348 . 1 1 31 31 ILE HD13 H 1 0.819 0.000 . . . . . A 31 ILE HD13 . 34142 1 349 . 1 1 31 31 ILE C C 13 175.231 0.005 . . . . . A 31 ILE C . 34142 1 350 . 1 1 31 31 ILE CA C 13 59.342 0.000 . . . . . A 31 ILE CA . 34142 1 351 . 1 1 31 31 ILE CB C 13 38.762 0.000 . . . . . A 31 ILE CB . 34142 1 352 . 1 1 31 31 ILE CG1 C 13 27.587 0.013 . . . . . A 31 ILE CG1 . 34142 1 353 . 1 1 31 31 ILE CG2 C 13 18.318 0.000 . . . . . A 31 ILE CG2 . 34142 1 354 . 1 1 31 31 ILE CD1 C 13 12.258 0.000 . . . . . A 31 ILE CD1 . 34142 1 355 . 1 1 31 31 ILE N N 15 120.426 0.013 . . . . . A 31 ILE N . 34142 1 356 . 1 1 32 32 MET H H 1 9.117 0.004 . . . . . A 32 MET H . 34142 1 357 . 1 1 32 32 MET HA H 1 4.950 0.000 . . . . . A 32 MET HA . 34142 1 358 . 1 1 32 32 MET HB2 H 1 1.913 0.002 . . . . . A 32 MET HB2 . 34142 1 359 . 1 1 32 32 MET HB3 H 1 1.752 0.002 . . . . . A 32 MET HB3 . 34142 1 360 . 1 1 32 32 MET HG2 H 1 2.035 0.009 . . . . . A 32 MET HG2 . 34142 1 361 . 1 1 32 32 MET HG3 H 1 1.953 0.000 . . . . . A 32 MET HG3 . 34142 1 362 . 1 1 32 32 MET HE1 H 1 0.875 0.016 . . . . . A 32 MET HE1 . 34142 1 363 . 1 1 32 32 MET HE2 H 1 0.875 0.016 . . . . . A 32 MET HE2 . 34142 1 364 . 1 1 32 32 MET HE3 H 1 0.875 0.016 . . . . . A 32 MET HE3 . 34142 1 365 . 1 1 32 32 MET C C 13 173.346 0.003 . . . . . A 32 MET C . 34142 1 366 . 1 1 32 32 MET CA C 13 53.292 0.000 . . . . . A 32 MET CA . 34142 1 367 . 1 1 32 32 MET CB C 13 38.595 0.016 . . . . . A 32 MET CB . 34142 1 368 . 1 1 32 32 MET CG C 13 30.553 0.008 . . . . . A 32 MET CG . 34142 1 369 . 1 1 32 32 MET CE C 13 16.689 0.000 . . . . . A 32 MET CE . 34142 1 370 . 1 1 32 32 MET N N 15 123.262 0.017 . . . . . A 32 MET N . 34142 1 371 . 1 1 33 33 THR H H 1 8.483 0.003 . . . . . A 33 THR H . 34142 1 372 . 1 1 33 33 THR HA H 1 4.686 0.000 . . . . . A 33 THR HA . 34142 1 373 . 1 1 33 33 THR HB H 1 3.965 0.002 . . . . . A 33 THR HB . 34142 1 374 . 1 1 33 33 THR HG21 H 1 1.044 0.002 . . . . . A 33 THR HG21 . 34142 1 375 . 1 1 33 33 THR HG22 H 1 1.044 0.002 . . . . . A 33 THR HG22 . 34142 1 376 . 1 1 33 33 THR HG23 H 1 1.044 0.002 . . . . . A 33 THR HG23 . 34142 1 377 . 1 1 33 33 THR C C 13 174.336 0.015 . . . . . A 33 THR C . 34142 1 378 . 1 1 33 33 THR CA C 13 62.417 0.000 . . . . . A 33 THR CA . 34142 1 379 . 1 1 33 33 THR CB C 13 69.930 0.000 . . . . . A 33 THR CB . 34142 1 380 . 1 1 33 33 THR CG2 C 13 21.972 0.000 . . . . . A 33 THR CG2 . 34142 1 381 . 1 1 33 33 THR N N 15 116.235 0.026 . . . . . A 33 THR N . 34142 1 382 . 1 1 34 34 VAL H H 1 9.669 0.004 . . . . . A 34 VAL H . 34142 1 383 . 1 1 34 34 VAL HA H 1 4.345 0.003 . . . . . A 34 VAL HA . 34142 1 384 . 1 1 34 34 VAL HB H 1 1.983 0.003 . . . . . A 34 VAL HB . 34142 1 385 . 1 1 34 34 VAL HG11 H 1 0.496 0.000 . . . . . A 34 VAL HG11 . 34142 1 386 . 1 1 34 34 VAL HG12 H 1 0.496 0.000 . . . . . A 34 VAL HG12 . 34142 1 387 . 1 1 34 34 VAL HG13 H 1 0.496 0.000 . . . . . A 34 VAL HG13 . 34142 1 388 . 1 1 34 34 VAL HG21 H 1 0.978 0.000 . . . . . A 34 VAL HG21 . 34142 1 389 . 1 1 34 34 VAL HG22 H 1 0.978 0.000 . . . . . A 34 VAL HG22 . 34142 1 390 . 1 1 34 34 VAL HG23 H 1 0.978 0.000 . . . . . A 34 VAL HG23 . 34142 1 391 . 1 1 34 34 VAL C C 13 174.886 0.004 . . . . . A 34 VAL C . 34142 1 392 . 1 1 34 34 VAL CA C 13 62.659 0.000 . . . . . A 34 VAL CA . 34142 1 393 . 1 1 34 34 VAL CB C 13 32.070 0.000 . . . . . A 34 VAL CB . 34142 1 394 . 1 1 34 34 VAL CG1 C 13 21.548 0.000 . . . . . A 34 VAL CG1 . 34142 1 395 . 1 1 34 34 VAL CG2 C 13 21.943 0.000 . . . . . A 34 VAL CG2 . 34142 1 396 . 1 1 34 34 VAL N N 15 128.250 0.052 . . . . . A 34 VAL N . 34142 1 397 . 1 1 35 35 LEU H H 1 9.243 0.003 . . . . . A 35 LEU H . 34142 1 398 . 1 1 35 35 LEU HA H 1 4.413 0.001 . . . . . A 35 LEU HA . 34142 1 399 . 1 1 35 35 LEU HB2 H 1 1.260 0.000 . . . . . A 35 LEU HB2 . 34142 1 400 . 1 1 35 35 LEU HB3 H 1 0.859 0.000 . . . . . A 35 LEU HB3 . 34142 1 401 . 1 1 35 35 LEU HG H 1 1.364 0.000 . . . . . A 35 LEU HG . 34142 1 402 . 1 1 35 35 LEU HD11 H 1 0.532 0.000 . . . . . A 35 LEU HD11 . 34142 1 403 . 1 1 35 35 LEU HD12 H 1 0.532 0.000 . . . . . A 35 LEU HD12 . 34142 1 404 . 1 1 35 35 LEU HD13 H 1 0.532 0.000 . . . . . A 35 LEU HD13 . 34142 1 405 . 1 1 35 35 LEU HD21 H 1 0.594 0.001 . . . . . A 35 LEU HD21 . 34142 1 406 . 1 1 35 35 LEU HD22 H 1 0.594 0.001 . . . . . A 35 LEU HD22 . 34142 1 407 . 1 1 35 35 LEU HD23 H 1 0.594 0.001 . . . . . A 35 LEU HD23 . 34142 1 408 . 1 1 35 35 LEU C C 13 177.444 0.005 . . . . . A 35 LEU C . 34142 1 409 . 1 1 35 35 LEU CA C 13 56.165 0.073 . . . . . A 35 LEU CA . 34142 1 410 . 1 1 35 35 LEU CB C 13 40.778 0.040 . . . . . A 35 LEU CB . 34142 1 411 . 1 1 35 35 LEU CG C 13 27.425 0.000 . . . . . A 35 LEU CG . 34142 1 412 . 1 1 35 35 LEU CD1 C 13 24.834 0.000 . . . . . A 35 LEU CD1 . 34142 1 413 . 1 1 35 35 LEU CD2 C 13 22.520 0.000 . . . . . A 35 LEU CD2 . 34142 1 414 . 1 1 35 35 LEU N N 15 127.450 0.027 . . . . . A 35 LEU N . 34142 1 415 . 1 1 36 36 GLU H H 1 7.805 0.004 . . . . . A 36 GLU H . 34142 1 416 . 1 1 36 36 GLU HA H 1 4.557 0.001 . . . . . A 36 GLU HA . 34142 1 417 . 1 1 36 36 GLU HB2 H 1 2.162 0.000 . . . . . A 36 GLU HB2 . 34142 1 418 . 1 1 36 36 GLU HB3 H 1 1.966 0.000 . . . . . A 36 GLU HB3 . 34142 1 419 . 1 1 36 36 GLU HG2 H 1 2.267 0.002 . . . . . A 36 GLU HG2 . 34142 1 420 . 1 1 36 36 GLU HG3 H 1 2.176 0.000 . . . . . A 36 GLU HG3 . 34142 1 421 . 1 1 36 36 GLU C C 13 174.939 0.000 . . . . . A 36 GLU C . 34142 1 422 . 1 1 36 36 GLU CA C 13 55.772 0.000 . . . . . A 36 GLU CA . 34142 1 423 . 1 1 36 36 GLU CB C 13 34.014 0.019 . . . . . A 36 GLU CB . 34142 1 424 . 1 1 36 36 GLU CG C 13 36.111 0.103 . . . . . A 36 GLU CG . 34142 1 425 . 1 1 36 36 GLU N N 15 115.229 0.017 . . . . . A 36 GLU N . 34142 1 426 . 1 1 37 37 ARG H H 1 8.721 0.002 . . . . . A 37 ARG H . 34142 1 427 . 1 1 37 37 ARG HA H 1 3.841 0.003 . . . . . A 37 ARG HA . 34142 1 428 . 1 1 37 37 ARG HB2 H 1 1.259 0.000 . . . . . A 37 ARG HB2 . 34142 1 429 . 1 1 37 37 ARG HB3 H 1 1.119 0.000 . . . . . A 37 ARG HB3 . 34142 1 430 . 1 1 37 37 ARG HG2 H 1 0.623 0.000 . . . . . A 37 ARG HG2 . 34142 1 431 . 1 1 37 37 ARG HG3 H 1 -0.477 0.000 . . . . . A 37 ARG HG3 . 34142 1 432 . 1 1 37 37 ARG HD2 H 1 2.519 0.000 . . . . . A 37 ARG HD2 . 34142 1 433 . 1 1 37 37 ARG HD3 H 1 2.443 0.000 . . . . . A 37 ARG HD3 . 34142 1 434 . 1 1 37 37 ARG C C 13 174.753 0.004 . . . . . A 37 ARG C . 34142 1 435 . 1 1 37 37 ARG CA C 13 55.692 0.000 . . . . . A 37 ARG CA . 34142 1 436 . 1 1 37 37 ARG CB C 13 31.754 0.015 . . . . . A 37 ARG CB . 34142 1 437 . 1 1 37 37 ARG CG C 13 26.765 0.035 . . . . . A 37 ARG CG . 34142 1 438 . 1 1 37 37 ARG CD C 13 43.173 0.009 . . . . . A 37 ARG CD . 34142 1 439 . 1 1 37 37 ARG N N 15 124.517 0.029 . . . . . A 37 ARG N . 34142 1 440 . 1 1 38 38 ASP H H 1 7.228 0.004 . . . . . A 38 ASP H . 34142 1 441 . 1 1 38 38 ASP HA H 1 5.158 0.003 . . . . . A 38 ASP HA . 34142 1 442 . 1 1 38 38 ASP HB2 H 1 2.849 0.000 . . . . . A 38 ASP HB2 . 34142 1 443 . 1 1 38 38 ASP HB3 H 1 2.671 0.000 . . . . . A 38 ASP HB3 . 34142 1 444 . 1 1 38 38 ASP C C 13 176.865 0.006 . . . . . A 38 ASP C . 34142 1 445 . 1 1 38 38 ASP CA C 13 55.476 0.000 . . . . . A 38 ASP CA . 34142 1 446 . 1 1 38 38 ASP CB C 13 38.736 0.020 . . . . . A 38 ASP CB . 34142 1 447 . 1 1 38 38 ASP N N 15 123.603 0.014 . . . . . A 38 ASP N . 34142 1 448 . 1 1 39 39 THR H H 1 7.793 0.002 . . . . . A 39 THR H . 34142 1 449 . 1 1 39 39 THR HA H 1 3.986 0.000 . . . . . A 39 THR HA . 34142 1 450 . 1 1 39 39 THR HB H 1 4.024 0.000 . . . . . A 39 THR HB . 34142 1 451 . 1 1 39 39 THR HG21 H 1 1.140 0.003 . . . . . A 39 THR HG21 . 34142 1 452 . 1 1 39 39 THR HG22 H 1 1.140 0.003 . . . . . A 39 THR HG22 . 34142 1 453 . 1 1 39 39 THR HG23 H 1 1.140 0.003 . . . . . A 39 THR HG23 . 34142 1 454 . 1 1 39 39 THR C C 13 174.077 0.010 . . . . . A 39 THR C . 34142 1 455 . 1 1 39 39 THR CA C 13 62.004 0.000 . . . . . A 39 THR CA . 34142 1 456 . 1 1 39 39 THR CB C 13 69.367 0.000 . . . . . A 39 THR CB . 34142 1 457 . 1 1 39 39 THR CG2 C 13 19.065 0.000 . . . . . A 39 THR CG2 . 34142 1 458 . 1 1 39 39 THR N N 15 113.631 0.016 . . . . . A 39 THR N . 34142 1 459 . 1 1 40 40 GLN H H 1 8.986 0.003 . . . . . A 40 GLN H . 34142 1 460 . 1 1 40 40 GLN HA H 1 3.859 0.000 . . . . . A 40 GLN HA . 34142 1 461 . 1 1 40 40 GLN HB2 H 1 2.138 0.000 . . . . . A 40 GLN HB2 . 34142 1 462 . 1 1 40 40 GLN HB3 H 1 2.286 0.000 . . . . . A 40 GLN HB3 . 34142 1 463 . 1 1 40 40 GLN HG2 H 1 2.465 0.000 . . . . . A 40 GLN HG2 . 34142 1 464 . 1 1 40 40 GLN HG3 H 1 2.323 0.000 . . . . . A 40 GLN HG3 . 34142 1 465 . 1 1 40 40 GLN HE21 H 1 7.635 0.000 . . . . . A 40 GLN HE21 . 34142 1 466 . 1 1 40 40 GLN HE22 H 1 6.833 0.002 . . . . . A 40 GLN HE22 . 34142 1 467 . 1 1 40 40 GLN C C 13 175.861 0.002 . . . . . A 40 GLN C . 34142 1 468 . 1 1 40 40 GLN CA C 13 56.881 0.000 . . . . . A 40 GLN CA . 34142 1 469 . 1 1 40 40 GLN CB C 13 27.132 0.063 . . . . . A 40 GLN CB . 34142 1 470 . 1 1 40 40 GLN CG C 13 34.299 0.026 . . . . . A 40 GLN CG . 34142 1 471 . 1 1 40 40 GLN N N 15 120.683 0.014 . . . . . A 40 GLN N . 34142 1 472 . 1 1 40 40 GLN NE2 N 15 112.125 0.007 . . . . . A 40 GLN NE2 . 34142 1 473 . 1 1 41 41 GLY H H 1 8.066 0.003 . . . . . A 41 GLY H . 34142 1 474 . 1 1 41 41 GLY HA2 H 1 4.071 0.002 . . . . . A 41 GLY HA2 . 34142 1 475 . 1 1 41 41 GLY HA3 H 1 3.787 0.002 . . . . . A 41 GLY HA3 . 34142 1 476 . 1 1 41 41 GLY C C 13 174.453 0.003 . . . . . A 41 GLY C . 34142 1 477 . 1 1 41 41 GLY CA C 13 45.838 0.051 . . . . . A 41 GLY CA . 34142 1 478 . 1 1 41 41 GLY N N 15 104.754 0.012 . . . . . A 41 GLY N . 34142 1 479 . 1 1 42 42 LEU H H 1 8.035 0.004 . . . . . A 42 LEU H . 34142 1 480 . 1 1 42 42 LEU HA H 1 4.444 0.002 . . . . . A 42 LEU HA . 34142 1 481 . 1 1 42 42 LEU HB2 H 1 2.403 0.000 . . . . . A 42 LEU HB2 . 34142 1 482 . 1 1 42 42 LEU HB3 H 1 1.341 0.001 . . . . . A 42 LEU HB3 . 34142 1 483 . 1 1 42 42 LEU HG H 1 1.586 0.000 . . . . . A 42 LEU HG . 34142 1 484 . 1 1 42 42 LEU HD11 H 1 0.518 0.000 . . . . . A 42 LEU HD11 . 34142 1 485 . 1 1 42 42 LEU HD12 H 1 0.518 0.000 . . . . . A 42 LEU HD12 . 34142 1 486 . 1 1 42 42 LEU HD13 H 1 0.518 0.000 . . . . . A 42 LEU HD13 . 34142 1 487 . 1 1 42 42 LEU HD21 H 1 0.586 0.000 . . . . . A 42 LEU HD21 . 34142 1 488 . 1 1 42 42 LEU HD22 H 1 0.586 0.000 . . . . . A 42 LEU HD22 . 34142 1 489 . 1 1 42 42 LEU HD23 H 1 0.586 0.000 . . . . . A 42 LEU HD23 . 34142 1 490 . 1 1 42 42 LEU C C 13 175.222 0.003 . . . . . A 42 LEU C . 34142 1 491 . 1 1 42 42 LEU CA C 13 53.034 0.012 . . . . . A 42 LEU CA . 34142 1 492 . 1 1 42 42 LEU CB C 13 41.076 0.009 . . . . . A 42 LEU CB . 34142 1 493 . 1 1 42 42 LEU CG C 13 25.902 0.000 . . . . . A 42 LEU CG . 34142 1 494 . 1 1 42 42 LEU CD1 C 13 24.755 0.000 . . . . . A 42 LEU CD1 . 34142 1 495 . 1 1 42 42 LEU CD2 C 13 23.379 0.057 . . . . . A 42 LEU CD2 . 34142 1 496 . 1 1 42 42 LEU N N 15 123.811 0.024 . . . . . A 42 LEU N . 34142 1 497 . 1 1 43 43 ASP H H 1 7.969 0.003 . . . . . A 43 ASP H . 34142 1 498 . 1 1 43 43 ASP HA H 1 4.311 0.000 . . . . . A 43 ASP HA . 34142 1 499 . 1 1 43 43 ASP HB2 H 1 2.622 0.005 . . . . . A 43 ASP HB2 . 34142 1 500 . 1 1 43 43 ASP HB3 H 1 2.622 0.005 . . . . . A 43 ASP HB3 . 34142 1 501 . 1 1 43 43 ASP C C 13 178.076 0.003 . . . . . A 43 ASP C . 34142 1 502 . 1 1 43 43 ASP CA C 13 56.228 0.000 . . . . . A 43 ASP CA . 34142 1 503 . 1 1 43 43 ASP CB C 13 41.164 0.000 . . . . . A 43 ASP CB . 34142 1 504 . 1 1 43 43 ASP N N 15 123.924 0.010 . . . . . A 43 ASP N . 34142 1 505 . 1 1 44 44 GLY H H 1 9.390 0.003 . . . . . A 44 GLY H . 34142 1 506 . 1 1 44 44 GLY HA2 H 1 3.835 0.003 . . . . . A 44 GLY HA2 . 34142 1 507 . 1 1 44 44 GLY HA3 H 1 4.225 0.011 . . . . . A 44 GLY HA3 . 34142 1 508 . 1 1 44 44 GLY C C 13 174.610 0.001 . . . . . A 44 GLY C . 34142 1 509 . 1 1 44 44 GLY CA C 13 45.483 0.024 . . . . . A 44 GLY CA . 34142 1 510 . 1 1 44 44 GLY N N 15 112.133 0.027 . . . . . A 44 GLY N . 34142 1 511 . 1 1 45 45 TRP H H 1 8.509 0.004 . . . . . A 45 TRP H . 34142 1 512 . 1 1 45 45 TRP HA H 1 5.050 0.002 . . . . . A 45 TRP HA . 34142 1 513 . 1 1 45 45 TRP HB2 H 1 3.445 0.000 . . . . . A 45 TRP HB2 . 34142 1 514 . 1 1 45 45 TRP HB3 H 1 2.949 0.002 . . . . . A 45 TRP HB3 . 34142 1 515 . 1 1 45 45 TRP HD1 H 1 6.893 0.005 . . . . . A 45 TRP HD1 . 34142 1 516 . 1 1 45 45 TRP HE1 H 1 9.001 0.006 . . . . . A 45 TRP HE1 . 34142 1 517 . 1 1 45 45 TRP HE3 H 1 7.302 0.000 . . . . . A 45 TRP HE3 . 34142 1 518 . 1 1 45 45 TRP HZ2 H 1 7.356 0.012 . . . . . A 45 TRP HZ2 . 34142 1 519 . 1 1 45 45 TRP HZ3 H 1 6.800 0.000 . . . . . A 45 TRP HZ3 . 34142 1 520 . 1 1 45 45 TRP HH2 H 1 7.191 0.014 . . . . . A 45 TRP HH2 . 34142 1 521 . 1 1 45 45 TRP C C 13 175.733 0.005 . . . . . A 45 TRP C . 34142 1 522 . 1 1 45 45 TRP CA C 13 56.841 0.000 . . . . . A 45 TRP CA . 34142 1 523 . 1 1 45 45 TRP CB C 13 30.049 0.020 . . . . . A 45 TRP CB . 34142 1 524 . 1 1 45 45 TRP CD1 C 13 125.982 0.000 . . . . . A 45 TRP CD1 . 34142 1 525 . 1 1 45 45 TRP CE3 C 13 120.762 0.000 . . . . . A 45 TRP CE3 . 34142 1 526 . 1 1 45 45 TRP CZ2 C 13 113.563 0.000 . . . . . A 45 TRP CZ2 . 34142 1 527 . 1 1 45 45 TRP CZ3 C 13 120.137 0.000 . . . . . A 45 TRP CZ3 . 34142 1 528 . 1 1 45 45 TRP CH2 C 13 124.519 0.012 . . . . . A 45 TRP CH2 . 34142 1 529 . 1 1 45 45 TRP N N 15 122.738 0.019 . . . . . A 45 TRP N . 34142 1 530 . 1 1 45 45 TRP NE1 N 15 129.346 0.007 . . . . . A 45 TRP NE1 . 34142 1 531 . 1 1 46 46 TRP H H 1 10.126 0.002 . . . . . A 46 TRP H . 34142 1 532 . 1 1 46 46 TRP HA H 1 5.726 0.002 . . . . . A 46 TRP HA . 34142 1 533 . 1 1 46 46 TRP HB2 H 1 3.081 0.000 . . . . . A 46 TRP HB2 . 34142 1 534 . 1 1 46 46 TRP HB3 H 1 3.162 0.000 . . . . . A 46 TRP HB3 . 34142 1 535 . 1 1 46 46 TRP HD1 H 1 6.849 0.000 . . . . . A 46 TRP HD1 . 34142 1 536 . 1 1 46 46 TRP HE1 H 1 10.888 0.001 . . . . . A 46 TRP HE1 . 34142 1 537 . 1 1 46 46 TRP HE3 H 1 7.063 0.001 . . . . . A 46 TRP HE3 . 34142 1 538 . 1 1 46 46 TRP HZ2 H 1 7.420 0.000 . . . . . A 46 TRP HZ2 . 34142 1 539 . 1 1 46 46 TRP HZ3 H 1 6.605 0.000 . . . . . A 46 TRP HZ3 . 34142 1 540 . 1 1 46 46 TRP HH2 H 1 7.140 0.003 . . . . . A 46 TRP HH2 . 34142 1 541 . 1 1 46 46 TRP C C 13 175.361 0.005 . . . . . A 46 TRP C . 34142 1 542 . 1 1 46 46 TRP CA C 13 53.266 0.000 . . . . . A 46 TRP CA . 34142 1 543 . 1 1 46 46 TRP CB C 13 31.562 0.016 . . . . . A 46 TRP CB . 34142 1 544 . 1 1 46 46 TRP CD1 C 13 120.272 0.000 . . . . . A 46 TRP CD1 . 34142 1 545 . 1 1 46 46 TRP CE3 C 13 121.463 0.000 . . . . . A 46 TRP CE3 . 34142 1 546 . 1 1 46 46 TRP CZ2 C 13 114.071 0.000 . . . . . A 46 TRP CZ2 . 34142 1 547 . 1 1 46 46 TRP CZ3 C 13 121.449 0.000 . . . . . A 46 TRP CZ3 . 34142 1 548 . 1 1 46 46 TRP CH2 C 13 125.813 0.000 . . . . . A 46 TRP CH2 . 34142 1 549 . 1 1 46 46 TRP N N 15 125.750 0.022 . . . . . A 46 TRP N . 34142 1 550 . 1 1 46 46 TRP NE1 N 15 128.431 0.000 . . . . . A 46 TRP NE1 . 34142 1 551 . 1 1 47 47 LEU H H 1 9.486 0.006 . . . . . A 47 LEU H . 34142 1 552 . 1 1 47 47 LEU HA H 1 5.008 0.001 . . . . . A 47 LEU HA . 34142 1 553 . 1 1 47 47 LEU HB2 H 1 1.611 0.000 . . . . . A 47 LEU HB2 . 34142 1 554 . 1 1 47 47 LEU HB3 H 1 1.993 0.000 . . . . . A 47 LEU HB3 . 34142 1 555 . 1 1 47 47 LEU HG H 1 1.385 0.000 . . . . . A 47 LEU HG . 34142 1 556 . 1 1 47 47 LEU HD11 H 1 0.822 0.000 . . . . . A 47 LEU HD11 . 34142 1 557 . 1 1 47 47 LEU HD12 H 1 0.822 0.000 . . . . . A 47 LEU HD12 . 34142 1 558 . 1 1 47 47 LEU HD13 H 1 0.822 0.000 . . . . . A 47 LEU HD13 . 34142 1 559 . 1 1 47 47 LEU HD21 H 1 0.958 0.000 . . . . . A 47 LEU HD21 . 34142 1 560 . 1 1 47 47 LEU HD22 H 1 0.958 0.000 . . . . . A 47 LEU HD22 . 34142 1 561 . 1 1 47 47 LEU HD23 H 1 0.958 0.000 . . . . . A 47 LEU HD23 . 34142 1 562 . 1 1 47 47 LEU C C 13 176.233 0.011 . . . . . A 47 LEU C . 34142 1 563 . 1 1 47 47 LEU CA C 13 54.770 0.000 . . . . . A 47 LEU CA . 34142 1 564 . 1 1 47 47 LEU CB C 13 43.764 0.014 . . . . . A 47 LEU CB . 34142 1 565 . 1 1 47 47 LEU CG C 13 27.484 0.000 . . . . . A 47 LEU CG . 34142 1 566 . 1 1 47 47 LEU CD1 C 13 25.709 0.000 . . . . . A 47 LEU CD1 . 34142 1 567 . 1 1 47 47 LEU CD2 C 13 22.364 0.000 . . . . . A 47 LEU CD2 . 34142 1 568 . 1 1 47 47 LEU N N 15 125.129 0.011 . . . . . A 47 LEU N . 34142 1 569 . 1 1 48 48 CYS H H 1 9.359 0.004 . . . . . A 48 CYS H . 34142 1 570 . 1 1 48 48 CYS HA H 1 5.592 0.004 . . . . . A 48 CYS HA . 34142 1 571 . 1 1 48 48 CYS HB2 H 1 2.644 0.001 . . . . . A 48 CYS HB2 . 34142 1 572 . 1 1 48 48 CYS HB3 H 1 2.686 0.000 . . . . . A 48 CYS HB3 . 34142 1 573 . 1 1 48 48 CYS HG H 1 1.692 0.000 . . . . . A 48 CYS HG . 34142 1 574 . 1 1 48 48 CYS C C 13 171.995 0.003 . . . . . A 48 CYS C . 34142 1 575 . 1 1 48 48 CYS CA C 13 57.192 0.000 . . . . . A 48 CYS CA . 34142 1 576 . 1 1 48 48 CYS CB C 13 34.592 0.024 . . . . . A 48 CYS CB . 34142 1 577 . 1 1 48 48 CYS N N 15 125.033 0.012 . . . . . A 48 CYS N . 34142 1 578 . 1 1 49 49 SER H H 1 8.979 0.002 . . . . . A 49 SER H . 34142 1 579 . 1 1 49 49 SER HA H 1 5.352 0.004 . . . . . A 49 SER HA . 34142 1 580 . 1 1 49 49 SER HB2 H 1 3.615 0.003 . . . . . A 49 SER HB2 . 34142 1 581 . 1 1 49 49 SER HB3 H 1 3.498 0.001 . . . . . A 49 SER HB3 . 34142 1 582 . 1 1 49 49 SER C C 13 173.599 0.014 . . . . . A 49 SER C . 34142 1 583 . 1 1 49 49 SER CA C 13 55.957 0.000 . . . . . A 49 SER CA . 34142 1 584 . 1 1 49 49 SER CB C 13 64.872 0.004 . . . . . A 49 SER CB . 34142 1 585 . 1 1 49 49 SER N N 15 112.686 0.017 . . . . . A 49 SER N . 34142 1 586 . 1 1 50 50 LEU H H 1 9.052 0.003 . . . . . A 50 LEU H . 34142 1 587 . 1 1 50 50 LEU HA H 1 4.690 0.000 . . . . . A 50 LEU HA . 34142 1 588 . 1 1 50 50 LEU HB2 H 1 1.855 0.000 . . . . . A 50 LEU HB2 . 34142 1 589 . 1 1 50 50 LEU HB3 H 1 1.264 0.000 . . . . . A 50 LEU HB3 . 34142 1 590 . 1 1 50 50 LEU HG H 1 1.259 0.000 . . . . . A 50 LEU HG . 34142 1 591 . 1 1 50 50 LEU HD11 H 1 1.054 0.000 . . . . . A 50 LEU HD11 . 34142 1 592 . 1 1 50 50 LEU HD12 H 1 1.054 0.000 . . . . . A 50 LEU HD12 . 34142 1 593 . 1 1 50 50 LEU HD13 H 1 1.054 0.000 . . . . . A 50 LEU HD13 . 34142 1 594 . 1 1 50 50 LEU HD21 H 1 0.645 0.000 . . . . . A 50 LEU HD21 . 34142 1 595 . 1 1 50 50 LEU HD22 H 1 0.645 0.000 . . . . . A 50 LEU HD22 . 34142 1 596 . 1 1 50 50 LEU HD23 H 1 0.645 0.000 . . . . . A 50 LEU HD23 . 34142 1 597 . 1 1 50 50 LEU C C 13 175.768 0.000 . . . . . A 50 LEU C . 34142 1 598 . 1 1 50 50 LEU CA C 13 54.120 0.000 . . . . . A 50 LEU CA . 34142 1 599 . 1 1 50 50 LEU CB C 13 45.679 0.007 . . . . . A 50 LEU CB . 34142 1 600 . 1 1 50 50 LEU CG C 13 27.637 0.000 . . . . . A 50 LEU CG . 34142 1 601 . 1 1 50 50 LEU CD1 C 13 27.421 0.000 . . . . . A 50 LEU CD1 . 34142 1 602 . 1 1 50 50 LEU CD2 C 13 23.104 0.008 . . . . . A 50 LEU CD2 . 34142 1 603 . 1 1 50 50 LEU N N 15 129.203 0.013 . . . . . A 50 LEU N . 34142 1 604 . 1 1 51 51 HIS HA H 1 4.468 0.000 . . . . . A 51 HIS HA . 34142 1 605 . 1 1 51 51 HIS HB2 H 1 3.318 0.001 . . . . . A 51 HIS HB2 . 34142 1 606 . 1 1 51 51 HIS HB3 H 1 3.318 0.001 . . . . . A 51 HIS HB3 . 34142 1 607 . 1 1 51 51 HIS HD2 H 1 7.091 0.000 . . . . . A 51 HIS HD2 . 34142 1 608 . 1 1 51 51 HIS HE1 H 1 7.955 0.000 . . . . . A 51 HIS HE1 . 34142 1 609 . 1 1 51 51 HIS C C 13 175.820 0.000 . . . . . A 51 HIS C . 34142 1 610 . 1 1 51 51 HIS CA C 13 56.530 0.000 . . . . . A 51 HIS CA . 34142 1 611 . 1 1 51 51 HIS CB C 13 28.556 0.010 . . . . . A 51 HIS CB . 34142 1 612 . 1 1 51 51 HIS CD2 C 13 119.349 0.000 . . . . . A 51 HIS CD2 . 34142 1 613 . 1 1 52 52 GLY H H 1 8.589 0.003 . . . . . A 52 GLY H . 34142 1 614 . 1 1 52 52 GLY HA2 H 1 4.245 0.007 . . . . . A 52 GLY HA2 . 34142 1 615 . 1 1 52 52 GLY HA3 H 1 3.558 0.003 . . . . . A 52 GLY HA3 . 34142 1 616 . 1 1 52 52 GLY C C 13 173.602 0.008 . . . . . A 52 GLY C . 34142 1 617 . 1 1 52 52 GLY CA C 13 45.462 0.008 . . . . . A 52 GLY CA . 34142 1 618 . 1 1 52 52 GLY N N 15 104.319 0.026 . . . . . A 52 GLY N . 34142 1 619 . 1 1 53 53 ARG H H 1 7.909 0.004 . . . . . A 53 ARG H . 34142 1 620 . 1 1 53 53 ARG HA H 1 4.635 0.001 . . . . . A 53 ARG HA . 34142 1 621 . 1 1 53 53 ARG HB2 H 1 1.928 0.000 . . . . . A 53 ARG HB2 . 34142 1 622 . 1 1 53 53 ARG HB3 H 1 1.884 0.000 . . . . . A 53 ARG HB3 . 34142 1 623 . 1 1 53 53 ARG HG2 H 1 1.720 0.000 . . . . . A 53 ARG HG2 . 34142 1 624 . 1 1 53 53 ARG HG3 H 1 1.591 0.000 . . . . . A 53 ARG HG3 . 34142 1 625 . 1 1 53 53 ARG HD2 H 1 3.270 0.000 . . . . . A 53 ARG HD2 . 34142 1 626 . 1 1 53 53 ARG HD3 H 1 3.270 0.000 . . . . . A 53 ARG HD3 . 34142 1 627 . 1 1 53 53 ARG C C 13 174.478 0.002 . . . . . A 53 ARG C . 34142 1 628 . 1 1 53 53 ARG CA C 13 54.820 0.000 . . . . . A 53 ARG CA . 34142 1 629 . 1 1 53 53 ARG CB C 13 32.053 0.008 . . . . . A 53 ARG CB . 34142 1 630 . 1 1 53 53 ARG CG C 13 27.605 0.008 . . . . . A 53 ARG CG . 34142 1 631 . 1 1 53 53 ARG CD C 13 43.457 0.000 . . . . . A 53 ARG CD . 34142 1 632 . 1 1 53 53 ARG N N 15 121.932 0.018 . . . . . A 53 ARG N . 34142 1 633 . 1 1 54 54 GLN H H 1 8.564 0.002 . . . . . A 54 GLN H . 34142 1 634 . 1 1 54 54 GLN HA H 1 5.657 0.002 . . . . . A 54 GLN HA . 34142 1 635 . 1 1 54 54 GLN HB2 H 1 1.958 0.000 . . . . . A 54 GLN HB2 . 34142 1 636 . 1 1 54 54 GLN HB3 H 1 1.915 0.000 . . . . . A 54 GLN HB3 . 34142 1 637 . 1 1 54 54 GLN HG2 H 1 2.141 0.000 . . . . . A 54 GLN HG2 . 34142 1 638 . 1 1 54 54 GLN HG3 H 1 2.311 0.000 . . . . . A 54 GLN HG3 . 34142 1 639 . 1 1 54 54 GLN HE21 H 1 7.399 0.000 . . . . . A 54 GLN HE21 . 34142 1 640 . 1 1 54 54 GLN HE22 H 1 6.697 0.001 . . . . . A 54 GLN HE22 . 34142 1 641 . 1 1 54 54 GLN C C 13 176.517 0.003 . . . . . A 54 GLN C . 34142 1 642 . 1 1 54 54 GLN CA C 13 54.176 0.000 . . . . . A 54 GLN CA . 34142 1 643 . 1 1 54 54 GLN CB C 13 31.254 0.010 . . . . . A 54 GLN CB . 34142 1 644 . 1 1 54 54 GLN CG C 13 34.647 0.005 . . . . . A 54 GLN CG . 34142 1 645 . 1 1 54 54 GLN N N 15 121.817 0.015 . . . . . A 54 GLN N . 34142 1 646 . 1 1 54 54 GLN NE2 N 15 110.332 0.008 . . . . . A 54 GLN NE2 . 34142 1 647 . 1 1 55 55 GLY H H 1 8.805 0.002 . . . . . A 55 GLY H . 34142 1 648 . 1 1 55 55 GLY HA2 H 1 4.366 0.003 . . . . . A 55 GLY HA2 . 34142 1 649 . 1 1 55 55 GLY HA3 H 1 3.986 0.001 . . . . . A 55 GLY HA3 . 34142 1 650 . 1 1 55 55 GLY C C 13 171.549 0.000 . . . . . A 55 GLY C . 34142 1 651 . 1 1 55 55 GLY CA C 13 45.480 0.050 . . . . . A 55 GLY CA . 34142 1 652 . 1 1 55 55 GLY N N 15 109.967 0.018 . . . . . A 55 GLY N . 34142 1 653 . 1 1 56 56 ILE H H 1 8.983 0.003 . . . . . A 56 ILE H . 34142 1 654 . 1 1 56 56 ILE HA H 1 5.902 0.003 . . . . . A 56 ILE HA . 34142 1 655 . 1 1 56 56 ILE HB H 1 2.000 0.000 . . . . . A 56 ILE HB . 34142 1 656 . 1 1 56 56 ILE HG12 H 1 0.783 0.000 . . . . . A 56 ILE HG12 . 34142 1 657 . 1 1 56 56 ILE HG13 H 1 1.336 0.000 . . . . . A 56 ILE HG13 . 34142 1 658 . 1 1 56 56 ILE HG21 H 1 0.867 0.000 . . . . . A 56 ILE HG21 . 34142 1 659 . 1 1 56 56 ILE HG22 H 1 0.867 0.000 . . . . . A 56 ILE HG22 . 34142 1 660 . 1 1 56 56 ILE HG23 H 1 0.867 0.000 . . . . . A 56 ILE HG23 . 34142 1 661 . 1 1 56 56 ILE HD11 H 1 -0.010 0.000 . . . . . A 56 ILE HD11 . 34142 1 662 . 1 1 56 56 ILE HD12 H 1 -0.010 0.000 . . . . . A 56 ILE HD12 . 34142 1 663 . 1 1 56 56 ILE HD13 H 1 -0.010 0.000 . . . . . A 56 ILE HD13 . 34142 1 664 . 1 1 56 56 ILE C C 13 176.710 0.004 . . . . . A 56 ILE C . 34142 1 665 . 1 1 56 56 ILE CA C 13 60.781 0.000 . . . . . A 56 ILE CA . 34142 1 666 . 1 1 56 56 ILE CB C 13 40.740 0.000 . . . . . A 56 ILE CB . 34142 1 667 . 1 1 56 56 ILE CG1 C 13 25.458 0.006 . . . . . A 56 ILE CG1 . 34142 1 668 . 1 1 56 56 ILE CG2 C 13 18.897 0.000 . . . . . A 56 ILE CG2 . 34142 1 669 . 1 1 56 56 ILE CD1 C 13 12.765 0.000 . . . . . A 56 ILE CD1 . 34142 1 670 . 1 1 56 56 ILE N N 15 114.544 0.023 . . . . . A 56 ILE N . 34142 1 671 . 1 1 57 57 VAL H H 1 9.467 0.003 . . . . . A 57 VAL H . 34142 1 672 . 1 1 57 57 VAL HA H 1 5.219 0.002 . . . . . A 57 VAL HA . 34142 1 673 . 1 1 57 57 VAL HB H 1 2.171 0.000 . . . . . A 57 VAL HB . 34142 1 674 . 1 1 57 57 VAL HG11 H 1 1.085 0.000 . . . . . A 57 VAL HG11 . 34142 1 675 . 1 1 57 57 VAL HG12 H 1 1.085 0.000 . . . . . A 57 VAL HG12 . 34142 1 676 . 1 1 57 57 VAL HG13 H 1 1.085 0.000 . . . . . A 57 VAL HG13 . 34142 1 677 . 1 1 57 57 VAL HG21 H 1 1.043 0.000 . . . . . A 57 VAL HG21 . 34142 1 678 . 1 1 57 57 VAL HG22 H 1 1.043 0.000 . . . . . A 57 VAL HG22 . 34142 1 679 . 1 1 57 57 VAL HG23 H 1 1.043 0.000 . . . . . A 57 VAL HG23 . 34142 1 680 . 1 1 57 57 VAL C C 13 173.236 0.000 . . . . . A 57 VAL C . 34142 1 681 . 1 1 57 57 VAL CA C 13 58.393 0.000 . . . . . A 57 VAL CA . 34142 1 682 . 1 1 57 57 VAL CB C 13 37.256 0.000 . . . . . A 57 VAL CB . 34142 1 683 . 1 1 57 57 VAL CG1 C 13 23.670 0.000 . . . . . A 57 VAL CG1 . 34142 1 684 . 1 1 57 57 VAL CG2 C 13 23.559 0.000 . . . . . A 57 VAL CG2 . 34142 1 685 . 1 1 57 57 VAL N N 15 116.699 0.022 . . . . . A 57 VAL N . 34142 1 686 . 1 1 58 58 PRO HA H 1 3.523 0.002 . . . . . A 58 PRO HA . 34142 1 687 . 1 1 58 58 PRO HB2 H 1 1.079 0.000 . . . . . A 58 PRO HB2 . 34142 1 688 . 1 1 58 58 PRO HB3 H 1 1.778 0.000 . . . . . A 58 PRO HB3 . 34142 1 689 . 1 1 58 58 PRO HG2 H 1 1.913 0.000 . . . . . A 58 PRO HG2 . 34142 1 690 . 1 1 58 58 PRO HG3 H 1 1.432 0.000 . . . . . A 58 PRO HG3 . 34142 1 691 . 1 1 58 58 PRO HD2 H 1 3.502 0.000 . . . . . A 58 PRO HD2 . 34142 1 692 . 1 1 58 58 PRO HD3 H 1 4.040 0.000 . . . . . A 58 PRO HD3 . 34142 1 693 . 1 1 58 58 PRO C C 13 176.569 0.004 . . . . . A 58 PRO C . 34142 1 694 . 1 1 58 58 PRO CA C 13 61.161 0.000 . . . . . A 58 PRO CA . 34142 1 695 . 1 1 58 58 PRO CB C 13 30.774 0.012 . . . . . A 58 PRO CB . 34142 1 696 . 1 1 58 58 PRO CG C 13 27.910 0.027 . . . . . A 58 PRO CG . 34142 1 697 . 1 1 58 58 PRO CD C 13 50.657 0.020 . . . . . A 58 PRO CD . 34142 1 698 . 1 1 59 59 GLY H H 1 7.940 0.006 . . . . . A 59 GLY H . 34142 1 699 . 1 1 59 59 GLY HA2 H 1 1.772 0.000 . . . . . A 59 GLY HA2 . 34142 1 700 . 1 1 59 59 GLY HA3 H 1 1.670 0.000 . . . . . A 59 GLY HA3 . 34142 1 701 . 1 1 59 59 GLY C C 13 173.485 0.005 . . . . . A 59 GLY C . 34142 1 702 . 1 1 59 59 GLY CA C 13 45.377 0.019 . . . . . A 59 GLY CA . 34142 1 703 . 1 1 59 59 GLY N N 15 116.585 0.009 . . . . . A 59 GLY N . 34142 1 704 . 1 1 60 60 ASN H H 1 7.834 0.003 . . . . . A 60 ASN H . 34142 1 705 . 1 1 60 60 ASN HA H 1 4.284 0.000 . . . . . A 60 ASN HA . 34142 1 706 . 1 1 60 60 ASN HB2 H 1 3.087 0.004 . . . . . A 60 ASN HB2 . 34142 1 707 . 1 1 60 60 ASN HB3 H 1 2.665 0.002 . . . . . A 60 ASN HB3 . 34142 1 708 . 1 1 60 60 ASN HD21 H 1 7.530 0.001 . . . . . A 60 ASN HD21 . 34142 1 709 . 1 1 60 60 ASN HD22 H 1 6.170 0.008 . . . . . A 60 ASN HD22 . 34142 1 710 . 1 1 60 60 ASN C C 13 176.062 0.004 . . . . . A 60 ASN C . 34142 1 711 . 1 1 60 60 ASN CA C 13 52.679 0.000 . . . . . A 60 ASN CA . 34142 1 712 . 1 1 60 60 ASN CB C 13 35.868 0.022 . . . . . A 60 ASN CB . 34142 1 713 . 1 1 60 60 ASN N N 15 115.092 0.012 . . . . . A 60 ASN N . 34142 1 714 . 1 1 60 60 ASN ND2 N 15 106.480 0.023 . . . . . A 60 ASN ND2 . 34142 1 715 . 1 1 61 61 ARG H H 1 7.486 0.003 . . . . . A 61 ARG H . 34142 1 716 . 1 1 61 61 ARG HA H 1 4.715 0.000 . . . . . A 61 ARG HA . 34142 1 717 . 1 1 61 61 ARG HB2 H 1 2.397 0.000 . . . . . A 61 ARG HB2 . 34142 1 718 . 1 1 61 61 ARG HB3 H 1 1.818 0.000 . . . . . A 61 ARG HB3 . 34142 1 719 . 1 1 61 61 ARG HG2 H 1 1.812 0.000 . . . . . A 61 ARG HG2 . 34142 1 720 . 1 1 61 61 ARG HG3 H 1 1.205 0.000 . . . . . A 61 ARG HG3 . 34142 1 721 . 1 1 61 61 ARG HD2 H 1 3.082 0.003 . . . . . A 61 ARG HD2 . 34142 1 722 . 1 1 61 61 ARG HD3 H 1 2.828 0.000 . . . . . A 61 ARG HD3 . 34142 1 723 . 1 1 61 61 ARG HE H 1 8.558 0.002 . . . . . A 61 ARG HE . 34142 1 724 . 1 1 61 61 ARG C C 13 173.540 0.006 . . . . . A 61 ARG C . 34142 1 725 . 1 1 61 61 ARG CA C 13 56.135 0.000 . . . . . A 61 ARG CA . 34142 1 726 . 1 1 61 61 ARG CB C 13 29.879 0.032 . . . . . A 61 ARG CB . 34142 1 727 . 1 1 61 61 ARG CG C 13 29.879 0.027 . . . . . A 61 ARG CG . 34142 1 728 . 1 1 61 61 ARG CD C 13 43.980 0.013 . . . . . A 61 ARG CD . 34142 1 729 . 1 1 61 61 ARG N N 15 115.132 0.018 . . . . . A 61 ARG N . 34142 1 730 . 1 1 61 61 ARG NE N 15 86.481 0.000 . . . . . A 61 ARG NE . 34142 1 731 . 1 1 62 62 LEU H H 1 7.603 0.003 . . . . . A 62 LEU H . 34142 1 732 . 1 1 62 62 LEU HA H 1 4.970 0.000 . . . . . A 62 LEU HA . 34142 1 733 . 1 1 62 62 LEU HB2 H 1 1.486 0.000 . . . . . A 62 LEU HB2 . 34142 1 734 . 1 1 62 62 LEU HB3 H 1 1.009 0.000 . . . . . A 62 LEU HB3 . 34142 1 735 . 1 1 62 62 LEU HG H 1 1.164 0.000 . . . . . A 62 LEU HG . 34142 1 736 . 1 1 62 62 LEU HD11 H 1 0.542 0.000 . . . . . A 62 LEU HD11 . 34142 1 737 . 1 1 62 62 LEU HD12 H 1 0.542 0.000 . . . . . A 62 LEU HD12 . 34142 1 738 . 1 1 62 62 LEU HD13 H 1 0.542 0.000 . . . . . A 62 LEU HD13 . 34142 1 739 . 1 1 62 62 LEU HD21 H 1 0.414 0.000 . . . . . A 62 LEU HD21 . 34142 1 740 . 1 1 62 62 LEU HD22 H 1 0.414 0.000 . . . . . A 62 LEU HD22 . 34142 1 741 . 1 1 62 62 LEU HD23 H 1 0.414 0.000 . . . . . A 62 LEU HD23 . 34142 1 742 . 1 1 62 62 LEU C C 13 175.666 0.012 . . . . . A 62 LEU C . 34142 1 743 . 1 1 62 62 LEU CA C 13 53.682 0.000 . . . . . A 62 LEU CA . 34142 1 744 . 1 1 62 62 LEU CB C 13 46.626 0.004 . . . . . A 62 LEU CB . 34142 1 745 . 1 1 62 62 LEU CG C 13 27.709 0.000 . . . . . A 62 LEU CG . 34142 1 746 . 1 1 62 62 LEU CD1 C 13 25.948 0.000 . . . . . A 62 LEU CD1 . 34142 1 747 . 1 1 62 62 LEU CD2 C 13 23.848 0.000 . . . . . A 62 LEU CD2 . 34142 1 748 . 1 1 62 62 LEU N N 15 120.315 0.015 . . . . . A 62 LEU N . 34142 1 749 . 1 1 63 63 LYS H H 1 8.602 0.004 . . . . . A 63 LYS H . 34142 1 750 . 1 1 63 63 LYS HA H 1 4.713 0.005 . . . . . A 63 LYS HA . 34142 1 751 . 1 1 63 63 LYS HB2 H 1 1.626 0.001 . . . . . A 63 LYS HB2 . 34142 1 752 . 1 1 63 63 LYS HB3 H 1 1.725 0.000 . . . . . A 63 LYS HB3 . 34142 1 753 . 1 1 63 63 LYS HG2 H 1 1.324 0.003 . . . . . A 63 LYS HG2 . 34142 1 754 . 1 1 63 63 LYS HG3 H 1 1.416 0.000 . . . . . A 63 LYS HG3 . 34142 1 755 . 1 1 63 63 LYS HD2 H 1 1.731 0.000 . . . . . A 63 LYS HD2 . 34142 1 756 . 1 1 63 63 LYS HD3 H 1 1.731 0.000 . . . . . A 63 LYS HD3 . 34142 1 757 . 1 1 63 63 LYS HE2 H 1 2.962 0.000 . . . . . A 63 LYS HE2 . 34142 1 758 . 1 1 63 63 LYS HE3 H 1 2.962 0.000 . . . . . A 63 LYS HE3 . 34142 1 759 . 1 1 63 63 LYS C C 13 175.977 0.004 . . . . . A 63 LYS C . 34142 1 760 . 1 1 63 63 LYS CA C 13 54.488 0.000 . . . . . A 63 LYS CA . 34142 1 761 . 1 1 63 63 LYS CB C 13 36.260 0.008 . . . . . A 63 LYS CB . 34142 1 762 . 1 1 63 63 LYS CG C 13 24.590 0.007 . . . . . A 63 LYS CG . 34142 1 763 . 1 1 63 63 LYS CD C 13 29.689 0.000 . . . . . A 63 LYS CD . 34142 1 764 . 1 1 63 63 LYS CE C 13 42.288 0.000 . . . . . A 63 LYS CE . 34142 1 765 . 1 1 63 63 LYS N N 15 119.259 0.028 . . . . . A 63 LYS N . 34142 1 766 . 1 1 64 64 ILE H H 1 8.925 0.002 . . . . . A 64 ILE H . 34142 1 767 . 1 1 64 64 ILE HA H 1 4.125 0.004 . . . . . A 64 ILE HA . 34142 1 768 . 1 1 64 64 ILE HB H 1 1.852 0.000 . . . . . A 64 ILE HB . 34142 1 769 . 1 1 64 64 ILE HG12 H 1 1.806 0.000 . . . . . A 64 ILE HG12 . 34142 1 770 . 1 1 64 64 ILE HG13 H 1 1.178 0.000 . . . . . A 64 ILE HG13 . 34142 1 771 . 1 1 64 64 ILE HG21 H 1 0.955 0.000 . . . . . A 64 ILE HG21 . 34142 1 772 . 1 1 64 64 ILE HG22 H 1 0.955 0.000 . . . . . A 64 ILE HG22 . 34142 1 773 . 1 1 64 64 ILE HG23 H 1 0.955 0.000 . . . . . A 64 ILE HG23 . 34142 1 774 . 1 1 64 64 ILE HD11 H 1 0.744 0.000 . . . . . A 64 ILE HD11 . 34142 1 775 . 1 1 64 64 ILE HD12 H 1 0.744 0.000 . . . . . A 64 ILE HD12 . 34142 1 776 . 1 1 64 64 ILE HD13 H 1 0.744 0.000 . . . . . A 64 ILE HD13 . 34142 1 777 . 1 1 64 64 ILE C C 13 176.458 0.002 . . . . . A 64 ILE C . 34142 1 778 . 1 1 64 64 ILE CA C 13 62.614 0.000 . . . . . A 64 ILE CA . 34142 1 779 . 1 1 64 64 ILE CB C 13 37.672 0.000 . . . . . A 64 ILE CB . 34142 1 780 . 1 1 64 64 ILE CG1 C 13 29.184 0.003 . . . . . A 64 ILE CG1 . 34142 1 781 . 1 1 64 64 ILE CG2 C 13 17.579 0.000 . . . . . A 64 ILE CG2 . 34142 1 782 . 1 1 64 64 ILE CD1 C 13 12.585 0.000 . . . . . A 64 ILE CD1 . 34142 1 783 . 1 1 64 64 ILE N N 15 127.910 0.011 . . . . . A 64 ILE N . 34142 1 784 . 1 1 65 65 LEU H H 1 8.672 0.003 . . . . . A 65 LEU H . 34142 1 785 . 1 1 65 65 LEU HA H 1 4.378 0.008 . . . . . A 65 LEU HA . 34142 1 786 . 1 1 65 65 LEU HB2 H 1 1.598 0.000 . . . . . A 65 LEU HB2 . 34142 1 787 . 1 1 65 65 LEU HB3 H 1 1.398 0.000 . . . . . A 65 LEU HB3 . 34142 1 788 . 1 1 65 65 LEU HG H 1 1.576 0.000 . . . . . A 65 LEU HG . 34142 1 789 . 1 1 65 65 LEU HD11 H 1 0.775 0.000 . . . . . A 65 LEU HD11 . 34142 1 790 . 1 1 65 65 LEU HD12 H 1 0.775 0.000 . . . . . A 65 LEU HD12 . 34142 1 791 . 1 1 65 65 LEU HD13 H 1 0.775 0.000 . . . . . A 65 LEU HD13 . 34142 1 792 . 1 1 65 65 LEU HD21 H 1 0.770 0.001 . . . . . A 65 LEU HD21 . 34142 1 793 . 1 1 65 65 LEU HD22 H 1 0.770 0.001 . . . . . A 65 LEU HD22 . 34142 1 794 . 1 1 65 65 LEU HD23 H 1 0.770 0.001 . . . . . A 65 LEU HD23 . 34142 1 795 . 1 1 65 65 LEU C C 13 176.583 0.011 . . . . . A 65 LEU C . 34142 1 796 . 1 1 65 65 LEU CA C 13 54.838 0.000 . . . . . A 65 LEU CA . 34142 1 797 . 1 1 65 65 LEU CB C 13 41.683 0.008 . . . . . A 65 LEU CB . 34142 1 798 . 1 1 65 65 LEU CG C 13 26.829 0.000 . . . . . A 65 LEU CG . 34142 1 799 . 1 1 65 65 LEU CD1 C 13 25.655 0.000 . . . . . A 65 LEU CD1 . 34142 1 800 . 1 1 65 65 LEU CD2 C 13 22.881 0.000 . . . . . A 65 LEU CD2 . 34142 1 801 . 1 1 65 65 LEU N N 15 129.042 0.003 . . . . . A 65 LEU N . 34142 1 802 . 1 1 66 66 VAL H H 1 8.040 0.002 . . . . . A 66 VAL H . 34142 1 803 . 1 1 66 66 VAL HA H 1 4.245 0.001 . . . . . A 66 VAL HA . 34142 1 804 . 1 1 66 66 VAL HB H 1 2.095 0.003 . . . . . A 66 VAL HB . 34142 1 805 . 1 1 66 66 VAL HG11 H 1 0.951 0.002 . . . . . A 66 VAL HG11 . 34142 1 806 . 1 1 66 66 VAL HG12 H 1 0.951 0.002 . . . . . A 66 VAL HG12 . 34142 1 807 . 1 1 66 66 VAL HG13 H 1 0.951 0.002 . . . . . A 66 VAL HG13 . 34142 1 808 . 1 1 66 66 VAL HG21 H 1 0.957 0.000 . . . . . A 66 VAL HG21 . 34142 1 809 . 1 1 66 66 VAL HG22 H 1 0.957 0.000 . . . . . A 66 VAL HG22 . 34142 1 810 . 1 1 66 66 VAL HG23 H 1 0.957 0.000 . . . . . A 66 VAL HG23 . 34142 1 811 . 1 1 66 66 VAL C C 13 176.349 0.000 . . . . . A 66 VAL C . 34142 1 812 . 1 1 66 66 VAL CA C 13 61.876 0.000 . . . . . A 66 VAL CA . 34142 1 813 . 1 1 66 66 VAL CB C 13 33.260 0.000 . . . . . A 66 VAL CB . 34142 1 814 . 1 1 66 66 VAL CG1 C 13 21.154 0.046 . . . . . A 66 VAL CG1 . 34142 1 815 . 1 1 66 66 VAL CG2 C 13 20.300 0.000 . . . . . A 66 VAL CG2 . 34142 1 816 . 1 1 66 66 VAL N N 15 120.799 0.017 . . . . . A 66 VAL N . 34142 1 817 . 1 1 67 67 GLY H H 1 8.502 0.005 . . . . . A 67 GLY H . 34142 1 818 . 1 1 67 67 GLY HA2 H 1 3.971 0.007 . . . . . A 67 GLY HA2 . 34142 1 819 . 1 1 67 67 GLY HA3 H 1 3.903 0.000 . . . . . A 67 GLY HA3 . 34142 1 820 . 1 1 67 67 GLY CA C 13 45.395 0.000 . . . . . A 67 GLY CA . 34142 1 821 . 1 1 67 67 GLY N N 15 112.505 0.001 . . . . . A 67 GLY N . 34142 1 822 . 1 1 68 68 MET HA H 1 4.347 0.002 . . . . . A 68 MET HA . 34142 1 823 . 1 1 68 68 MET HB2 H 1 1.870 0.000 . . . . . A 68 MET HB2 . 34142 1 824 . 1 1 68 68 MET HB3 H 1 1.870 0.000 . . . . . A 68 MET HB3 . 34142 1 825 . 1 1 68 68 MET HG2 H 1 2.355 0.000 . . . . . A 68 MET HG2 . 34142 1 826 . 1 1 68 68 MET HG3 H 1 2.355 0.000 . . . . . A 68 MET HG3 . 34142 1 827 . 1 1 68 68 MET HE1 H 1 2.028 0.000 . . . . . A 68 MET HE1 . 34142 1 828 . 1 1 68 68 MET HE2 H 1 2.028 0.000 . . . . . A 68 MET HE2 . 34142 1 829 . 1 1 68 68 MET HE3 H 1 2.028 0.000 . . . . . A 68 MET HE3 . 34142 1 830 . 1 1 68 68 MET C C 13 175.975 0.004 . . . . . A 68 MET C . 34142 1 831 . 1 1 68 68 MET CA C 13 55.902 0.000 . . . . . A 68 MET CA . 34142 1 832 . 1 1 68 68 MET CB C 13 32.561 0.024 . . . . . A 68 MET CB . 34142 1 833 . 1 1 68 68 MET CG C 13 31.931 0.000 . . . . . A 68 MET CG . 34142 1 834 . 1 1 68 68 MET CE C 13 16.968 0.000 . . . . . A 68 MET CE . 34142 1 835 . 1 1 69 69 TYR H H 1 8.099 0.002 . . . . . A 69 TYR H . 34142 1 836 . 1 1 69 69 TYR HA H 1 4.602 0.001 . . . . . A 69 TYR HA . 34142 1 837 . 1 1 69 69 TYR HB2 H 1 3.119 0.001 . . . . . A 69 TYR HB2 . 34142 1 838 . 1 1 69 69 TYR HB3 H 1 2.903 0.009 . . . . . A 69 TYR HB3 . 34142 1 839 . 1 1 69 69 TYR HD1 H 1 7.085 0.003 . . . . . A 69 TYR HD1 . 34142 1 840 . 1 1 69 69 TYR HD2 H 1 7.085 0.003 . . . . . A 69 TYR HD2 . 34142 1 841 . 1 1 69 69 TYR HE1 H 1 6.799 0.002 . . . . . A 69 TYR HE1 . 34142 1 842 . 1 1 69 69 TYR HE2 H 1 6.799 0.002 . . . . . A 69 TYR HE2 . 34142 1 843 . 1 1 69 69 TYR C C 13 175.245 0.001 . . . . . A 69 TYR C . 34142 1 844 . 1 1 69 69 TYR CA C 13 57.555 0.000 . . . . . A 69 TYR CA . 34142 1 845 . 1 1 69 69 TYR CB C 13 38.748 0.013 . . . . . A 69 TYR CB . 34142 1 846 . 1 1 69 69 TYR CD1 C 13 133.290 0.000 . . . . . A 69 TYR CD1 . 34142 1 847 . 1 1 69 69 TYR CE1 C 13 118.192 0.000 . . . . . A 69 TYR CE1 . 34142 1 848 . 1 1 69 69 TYR N N 15 119.910 0.027 . . . . . A 69 TYR N . 34142 1 849 . 1 1 70 70 ASP H H 1 8.135 0.009 . . . . . A 70 ASP H . 34142 1 850 . 1 1 70 70 ASP HA H 1 4.562 0.006 . . . . . A 70 ASP HA . 34142 1 851 . 1 1 70 70 ASP HB2 H 1 2.655 0.001 . . . . . A 70 ASP HB2 . 34142 1 852 . 1 1 70 70 ASP HB3 H 1 2.549 0.000 . . . . . A 70 ASP HB3 . 34142 1 853 . 1 1 70 70 ASP C C 13 175.668 0.011 . . . . . A 70 ASP C . 34142 1 854 . 1 1 70 70 ASP CA C 13 54.215 0.000 . . . . . A 70 ASP CA . 34142 1 855 . 1 1 70 70 ASP CB C 13 41.409 0.015 . . . . . A 70 ASP CB . 34142 1 856 . 1 1 70 70 ASP N N 15 121.817 0.024 . . . . . A 70 ASP N . 34142 1 857 . 1 1 71 71 LYS H H 1 8.053 0.002 . . . . . A 71 LYS H . 34142 1 858 . 1 1 71 71 LYS HA H 1 4.253 0.004 . . . . . A 71 LYS HA . 34142 1 859 . 1 1 71 71 LYS HB2 H 1 1.831 0.000 . . . . . A 71 LYS HB2 . 34142 1 860 . 1 1 71 71 LYS HB3 H 1 1.718 0.000 . . . . . A 71 LYS HB3 . 34142 1 861 . 1 1 71 71 LYS HG2 H 1 1.423 0.000 . . . . . A 71 LYS HG2 . 34142 1 862 . 1 1 71 71 LYS HG3 H 1 1.370 0.003 . . . . . A 71 LYS HG3 . 34142 1 863 . 1 1 71 71 LYS HD2 H 1 1.674 0.000 . . . . . A 71 LYS HD2 . 34142 1 864 . 1 1 71 71 LYS HD3 H 1 1.674 0.000 . . . . . A 71 LYS HD3 . 34142 1 865 . 1 1 71 71 LYS HE2 H 1 2.975 0.000 . . . . . A 71 LYS HE2 . 34142 1 866 . 1 1 71 71 LYS HE3 H 1 2.975 0.000 . . . . . A 71 LYS HE3 . 34142 1 867 . 1 1 71 71 LYS C C 13 176.234 0.008 . . . . . A 71 LYS C . 34142 1 868 . 1 1 71 71 LYS CA C 13 56.230 0.000 . . . . . A 71 LYS CA . 34142 1 869 . 1 1 71 71 LYS CB C 13 32.992 0.016 . . . . . A 71 LYS CB . 34142 1 870 . 1 1 71 71 LYS CG C 13 24.774 0.015 . . . . . A 71 LYS CG . 34142 1 871 . 1 1 71 71 LYS CD C 13 29.098 0.000 . . . . . A 71 LYS CD . 34142 1 872 . 1 1 71 71 LYS CE C 13 42.237 0.000 . . . . . A 71 LYS CE . 34142 1 873 . 1 1 71 71 LYS N N 15 121.328 0.042 . . . . . A 71 LYS N . 34142 1 874 . 1 1 72 72 LYS H H 1 8.283 0.002 . . . . . A 72 LYS H . 34142 1 875 . 1 1 72 72 LYS HA H 1 4.557 0.001 . . . . . A 72 LYS HA . 34142 1 876 . 1 1 72 72 LYS HB2 H 1 1.799 0.000 . . . . . A 72 LYS HB2 . 34142 1 877 . 1 1 72 72 LYS HB3 H 1 1.716 0.000 . . . . . A 72 LYS HB3 . 34142 1 878 . 1 1 72 72 LYS HG2 H 1 1.459 0.000 . . . . . A 72 LYS HG2 . 34142 1 879 . 1 1 72 72 LYS HG3 H 1 1.428 0.000 . . . . . A 72 LYS HG3 . 34142 1 880 . 1 1 72 72 LYS HD2 H 1 1.681 0.000 . . . . . A 72 LYS HD2 . 34142 1 881 . 1 1 72 72 LYS HD3 H 1 1.681 0.000 . . . . . A 72 LYS HD3 . 34142 1 882 . 1 1 72 72 LYS HE2 H 1 2.987 0.000 . . . . . A 72 LYS HE2 . 34142 1 883 . 1 1 72 72 LYS HE3 H 1 2.987 0.000 . . . . . A 72 LYS HE3 . 34142 1 884 . 1 1 72 72 LYS C C 13 174.480 0.000 . . . . . A 72 LYS C . 34142 1 885 . 1 1 72 72 LYS CA C 13 54.352 0.000 . . . . . A 72 LYS CA . 34142 1 886 . 1 1 72 72 LYS CB C 13 32.430 0.017 . . . . . A 72 LYS CB . 34142 1 887 . 1 1 72 72 LYS CG C 13 24.627 0.053 . . . . . A 72 LYS CG . 34142 1 888 . 1 1 72 72 LYS CD C 13 29.157 0.000 . . . . . A 72 LYS CD . 34142 1 889 . 1 1 72 72 LYS N N 15 123.780 0.017 . . . . . A 72 LYS N . 34142 1 890 . 1 1 73 73 PRO HA H 1 4.406 0.000 . . . . . A 73 PRO HA . 34142 1 891 . 1 1 73 73 PRO HB2 H 1 2.293 0.006 . . . . . A 73 PRO HB2 . 34142 1 892 . 1 1 73 73 PRO HB3 H 1 1.900 0.000 . . . . . A 73 PRO HB3 . 34142 1 893 . 1 1 73 73 PRO HG2 H 1 2.016 0.000 . . . . . A 73 PRO HG2 . 34142 1 894 . 1 1 73 73 PRO HG3 H 1 2.016 0.000 . . . . . A 73 PRO HG3 . 34142 1 895 . 1 1 73 73 PRO HD2 H 1 3.803 0.001 . . . . . A 73 PRO HD2 . 34142 1 896 . 1 1 73 73 PRO HD3 H 1 3.605 0.000 . . . . . A 73 PRO HD3 . 34142 1 897 . 1 1 73 73 PRO C C 13 176.833 0.000 . . . . . A 73 PRO C . 34142 1 898 . 1 1 73 73 PRO CA C 13 63.023 0.000 . . . . . A 73 PRO CA . 34142 1 899 . 1 1 73 73 PRO CB C 13 32.136 0.012 . . . . . A 73 PRO CB . 34142 1 900 . 1 1 73 73 PRO CG C 13 27.465 0.000 . . . . . A 73 PRO CG . 34142 1 901 . 1 1 73 73 PRO CD C 13 50.642 0.084 . . . . . A 73 PRO CD . 34142 1 902 . 1 1 74 74 ALA H H 1 8.492 0.003 . . . . . A 74 ALA H . 34142 1 903 . 1 1 74 74 ALA HA H 1 4.303 0.000 . . . . . A 74 ALA HA . 34142 1 904 . 1 1 74 74 ALA HB1 H 1 1.403 0.003 . . . . . A 74 ALA HB1 . 34142 1 905 . 1 1 74 74 ALA HB2 H 1 1.403 0.003 . . . . . A 74 ALA HB2 . 34142 1 906 . 1 1 74 74 ALA HB3 H 1 1.403 0.003 . . . . . A 74 ALA HB3 . 34142 1 907 . 1 1 74 74 ALA C C 13 178.448 0.000 . . . . . A 74 ALA C . 34142 1 908 . 1 1 74 74 ALA CA C 13 52.749 0.025 . . . . . A 74 ALA CA . 34142 1 909 . 1 1 74 74 ALA CB C 13 19.236 0.035 . . . . . A 74 ALA CB . 34142 1 910 . 1 1 74 74 ALA N N 15 124.973 0.021 . . . . . A 74 ALA N . 34142 1 911 . 1 1 75 75 GLY HA2 H 1 4.001 0.000 . . . . . A 75 GLY HA2 . 34142 1 912 . 1 1 75 75 GLY HA3 H 1 4.001 0.000 . . . . . A 75 GLY HA3 . 34142 1 913 . 1 1 75 75 GLY CA C 13 45.463 0.000 . . . . . A 75 GLY CA . 34142 1 914 . 1 1 82 82 GLY C C 13 174.132 0.000 . . . . . A 82 GLY C . 34142 1 915 . 1 1 83 83 SER H H 1 8.156 0.000 . . . . . A 83 SER H . 34142 1 916 . 1 1 83 83 SER HA H 1 4.476 0.000 . . . . . A 83 SER HA . 34142 1 917 . 1 1 83 83 SER HB2 H 1 3.876 0.000 . . . . . A 83 SER HB2 . 34142 1 918 . 1 1 83 83 SER C C 13 174.680 0.000 . . . . . A 83 SER C . 34142 1 919 . 1 1 83 83 SER CA C 13 58.532 0.000 . . . . . A 83 SER CA . 34142 1 920 . 1 1 83 83 SER CB C 13 63.908 0.035 . . . . . A 83 SER CB . 34142 1 921 . 1 1 83 83 SER N N 15 121.324 0.000 . . . . . A 83 SER N . 34142 1 922 . 1 1 84 84 GLU H H 1 8.579 0.001 . . . . . A 84 GLU H . 34142 1 923 . 1 1 84 84 GLU HA H 1 4.284 0.001 . . . . . A 84 GLU HA . 34142 1 924 . 1 1 84 84 GLU HB2 H 1 2.056 0.002 . . . . . A 84 GLU HB2 . 34142 1 925 . 1 1 84 84 GLU HB3 H 1 1.944 0.000 . . . . . A 84 GLU HB3 . 34142 1 926 . 1 1 84 84 GLU HG2 H 1 2.298 0.000 . . . . . A 84 GLU HG2 . 34142 1 927 . 1 1 84 84 GLU HG3 H 1 2.243 0.000 . . . . . A 84 GLU HG3 . 34142 1 928 . 1 1 84 84 GLU C C 13 176.523 0.005 . . . . . A 84 GLU C . 34142 1 929 . 1 1 84 84 GLU CA C 13 56.937 0.027 . . . . . A 84 GLU CA . 34142 1 930 . 1 1 84 84 GLU CB C 13 29.989 0.032 . . . . . A 84 GLU CB . 34142 1 931 . 1 1 84 84 GLU CG C 13 36.275 0.012 . . . . . A 84 GLU CG . 34142 1 932 . 1 1 84 84 GLU N N 15 122.874 0.010 . . . . . A 84 GLU N . 34142 1 933 . 1 1 85 85 LYS H H 1 8.299 0.002 . . . . . A 85 LYS H . 34142 1 934 . 1 1 85 85 LYS HA H 1 4.304 0.001 . . . . . A 85 LYS HA . 34142 1 935 . 1 1 85 85 LYS HB2 H 1 1.841 0.000 . . . . . A 85 LYS HB2 . 34142 1 936 . 1 1 85 85 LYS HB3 H 1 1.744 0.000 . . . . . A 85 LYS HB3 . 34142 1 937 . 1 1 85 85 LYS HG2 H 1 1.423 0.000 . . . . . A 85 LYS HG2 . 34142 1 938 . 1 1 85 85 LYS HG3 H 1 1.396 0.000 . . . . . A 85 LYS HG3 . 34142 1 939 . 1 1 85 85 LYS HD2 H 1 1.678 0.000 . . . . . A 85 LYS HD2 . 34142 1 940 . 1 1 85 85 LYS HD3 H 1 1.678 0.000 . . . . . A 85 LYS HD3 . 34142 1 941 . 1 1 85 85 LYS C C 13 176.487 0.006 . . . . . A 85 LYS C . 34142 1 942 . 1 1 85 85 LYS CA C 13 56.239 0.048 . . . . . A 85 LYS CA . 34142 1 943 . 1 1 85 85 LYS CB C 13 32.965 0.019 . . . . . A 85 LYS CB . 34142 1 944 . 1 1 85 85 LYS CG C 13 24.706 0.004 . . . . . A 85 LYS CG . 34142 1 945 . 1 1 85 85 LYS CD C 13 29.043 0.000 . . . . . A 85 LYS CD . 34142 1 946 . 1 1 85 85 LYS N N 15 122.074 0.012 . . . . . A 85 LYS N . 34142 1 947 . 1 1 86 86 GLN H H 1 8.454 0.004 . . . . . A 86 GLN H . 34142 1 948 . 1 1 86 86 GLN HA H 1 4.424 0.000 . . . . . A 86 GLN HA . 34142 1 949 . 1 1 86 86 GLN HB2 H 1 2.385 0.002 . . . . . A 86 GLN HB2 . 34142 1 950 . 1 1 86 86 GLN HB3 H 1 2.385 0.002 . . . . . A 86 GLN HB3 . 34142 1 951 . 1 1 86 86 GLN HG2 H 1 2.159 0.004 . . . . . A 86 GLN HG2 . 34142 1 952 . 1 1 86 86 GLN HG3 H 1 2.015 0.000 . . . . . A 86 GLN HG3 . 34142 1 953 . 1 1 86 86 GLN HE21 H 1 7.529 0.001 . . . . . A 86 GLN HE21 . 34142 1 954 . 1 1 86 86 GLN HE22 H 1 6.860 0.000 . . . . . A 86 GLN HE22 . 34142 1 955 . 1 1 86 86 GLN C C 13 175.621 0.011 . . . . . A 86 GLN C . 34142 1 956 . 1 1 86 86 GLN CA C 13 55.731 0.000 . . . . . A 86 GLN CA . 34142 1 957 . 1 1 86 86 GLN CB C 13 31.735 2.253 . . . . . A 86 GLN CB . 34142 1 958 . 1 1 86 86 GLN CG C 13 29.552 0.022 . . . . . A 86 GLN CG . 34142 1 959 . 1 1 86 86 GLN N N 15 122.003 0.031 . . . . . A 86 GLN N . 34142 1 960 . 1 1 86 86 GLN NE2 N 15 112.652 0.001 . . . . . A 86 GLN NE2 . 34142 1 961 . 1 1 87 87 ASP H H 1 8.489 0.004 . . . . . A 87 ASP H . 34142 1 962 . 1 1 87 87 ASP HA H 1 4.726 0.000 . . . . . A 87 ASP HA . 34142 1 963 . 1 1 87 87 ASP HB2 H 1 2.797 0.000 . . . . . A 87 ASP HB2 . 34142 1 964 . 1 1 87 87 ASP HB3 H 1 2.711 0.000 . . . . . A 87 ASP HB3 . 34142 1 965 . 1 1 87 87 ASP C C 13 175.869 0.003 . . . . . A 87 ASP C . 34142 1 966 . 1 1 87 87 ASP CA C 13 54.373 0.011 . . . . . A 87 ASP CA . 34142 1 967 . 1 1 87 87 ASP CB C 13 41.546 0.025 . . . . . A 87 ASP CB . 34142 1 968 . 1 1 87 87 ASP N N 15 122.468 0.016 . . . . . A 87 ASP N . 34142 1 969 . 1 1 88 88 SER H H 1 8.210 0.002 . . . . . A 88 SER H . 34142 1 970 . 1 1 88 88 SER HA H 1 4.767 0.002 . . . . . A 88 SER HA . 34142 1 971 . 1 1 88 88 SER HB2 H 1 3.819 0.006 . . . . . A 88 SER HB2 . 34142 1 972 . 1 1 88 88 SER HB3 H 1 3.705 0.005 . . . . . A 88 SER HB3 . 34142 1 973 . 1 1 88 88 SER C C 13 171.236 0.000 . . . . . A 88 SER C . 34142 1 974 . 1 1 88 88 SER CA C 13 56.158 0.000 . . . . . A 88 SER CA . 34142 1 975 . 1 1 88 88 SER CB C 13 63.333 0.029 . . . . . A 88 SER CB . 34142 1 976 . 1 1 88 88 SER N N 15 116.705 0.016 . . . . . A 88 SER N . 34142 1 977 . 1 1 89 89 PRO HA H 1 3.353 0.001 . . . . . A 89 PRO HA . 34142 1 978 . 1 1 89 89 PRO HB2 H 1 1.371 0.002 . . . . . A 89 PRO HB2 . 34142 1 979 . 1 1 89 89 PRO HB3 H 1 1.371 0.002 . . . . . A 89 PRO HB3 . 34142 1 980 . 1 1 89 89 PRO HG2 H 1 1.985 0.001 . . . . . A 89 PRO HG2 . 34142 1 981 . 1 1 89 89 PRO HG3 H 1 1.894 0.001 . . . . . A 89 PRO HG3 . 34142 1 982 . 1 1 89 89 PRO HD2 H 1 3.746 0.000 . . . . . A 89 PRO HD2 . 34142 1 983 . 1 1 89 89 PRO HD3 H 1 3.628 0.000 . . . . . A 89 PRO HD3 . 34142 1 984 . 1 1 89 89 PRO CA C 13 60.609 0.000 . . . . . A 89 PRO CA . 34142 1 985 . 1 1 89 89 PRO CB C 13 29.850 0.003 . . . . . A 89 PRO CB . 34142 1 986 . 1 1 89 89 PRO CG C 13 27.136 0.001 . . . . . A 89 PRO CG . 34142 1 987 . 1 1 89 89 PRO CD C 13 50.314 0.021 . . . . . A 89 PRO CD . 34142 1 988 . 1 1 90 90 PRO HA H 1 4.564 0.000 . . . . . A 90 PRO HA . 34142 1 989 . 1 1 90 90 PRO HB2 H 1 2.184 0.000 . . . . . A 90 PRO HB2 . 34142 1 990 . 1 1 90 90 PRO HB3 H 1 1.684 0.000 . . . . . A 90 PRO HB3 . 34142 1 991 . 1 1 90 90 PRO HG2 H 1 1.783 0.000 . . . . . A 90 PRO HG2 . 34142 1 992 . 1 1 90 90 PRO HG3 H 1 1.499 0.000 . . . . . A 90 PRO HG3 . 34142 1 993 . 1 1 90 90 PRO HD2 H 1 3.025 0.000 . . . . . A 90 PRO HD2 . 34142 1 994 . 1 1 90 90 PRO HD3 H 1 2.545 0.000 . . . . . A 90 PRO HD3 . 34142 1 995 . 1 1 90 90 PRO CB C 13 30.648 0.012 . . . . . A 90 PRO CB . 34142 1 996 . 1 1 90 90 PRO CG C 13 26.476 0.010 . . . . . A 90 PRO CG . 34142 1 997 . 1 1 90 90 PRO CD C 13 50.004 0.014 . . . . . A 90 PRO CD . 34142 1 998 . 1 1 91 91 PRO HA H 1 4.270 0.002 . . . . . A 91 PRO HA . 34142 1 999 . 1 1 91 91 PRO HB2 H 1 2.237 0.001 . . . . . A 91 PRO HB2 . 34142 1 1000 . 1 1 91 91 PRO HB3 H 1 1.729 0.000 . . . . . A 91 PRO HB3 . 34142 1 1001 . 1 1 91 91 PRO HG2 H 1 1.958 0.000 . . . . . A 91 PRO HG2 . 34142 1 1002 . 1 1 91 91 PRO HG3 H 1 1.958 0.000 . . . . . A 91 PRO HG3 . 34142 1 1003 . 1 1 91 91 PRO HD2 H 1 3.673 0.000 . . . . . A 91 PRO HD2 . 34142 1 1004 . 1 1 91 91 PRO HD3 H 1 3.472 0.001 . . . . . A 91 PRO HD3 . 34142 1 1005 . 1 1 91 91 PRO C C 13 177.424 0.005 . . . . . A 91 PRO C . 34142 1 1006 . 1 1 91 91 PRO CA C 13 62.403 0.028 . . . . . A 91 PRO CA . 34142 1 1007 . 1 1 91 91 PRO CB C 13 31.634 0.039 . . . . . A 91 PRO CB . 34142 1 1008 . 1 1 91 91 PRO CG C 13 27.470 0.000 . . . . . A 91 PRO CG . 34142 1 1009 . 1 1 91 91 PRO CD C 13 50.284 0.002 . . . . . A 91 PRO CD . 34142 1 1010 . 1 1 92 92 LYS H H 1 8.837 0.002 . . . . . A 92 LYS H . 34142 1 1011 . 1 1 92 92 LYS HA H 1 4.422 0.003 . . . . . A 92 LYS HA . 34142 1 1012 . 1 1 92 92 LYS HB2 H 1 1.777 0.004 . . . . . A 92 LYS HB2 . 34142 1 1013 . 1 1 92 92 LYS HB3 H 1 1.710 0.000 . . . . . A 92 LYS HB3 . 34142 1 1014 . 1 1 92 92 LYS HG2 H 1 1.554 0.003 . . . . . A 92 LYS HG2 . 34142 1 1015 . 1 1 92 92 LYS HG3 H 1 1.227 0.002 . . . . . A 92 LYS HG3 . 34142 1 1016 . 1 1 92 92 LYS HD2 H 1 1.866 0.004 . . . . . A 92 LYS HD2 . 34142 1 1017 . 1 1 92 92 LYS HD3 H 1 1.866 0.004 . . . . . A 92 LYS HD3 . 34142 1 1018 . 1 1 92 92 LYS HE2 H 1 3.366 0.000 . . . . . A 92 LYS HE2 . 34142 1 1019 . 1 1 92 92 LYS HE3 H 1 2.809 0.002 . . . . . A 92 LYS HE3 . 34142 1 1020 . 1 1 92 92 LYS C C 13 174.456 0.000 . . . . . A 92 LYS C . 34142 1 1021 . 1 1 92 92 LYS CA C 13 55.308 0.000 . . . . . A 92 LYS CA . 34142 1 1022 . 1 1 92 92 LYS CB C 13 31.551 0.046 . . . . . A 92 LYS CB . 34142 1 1023 . 1 1 92 92 LYS CG C 13 26.727 0.035 . . . . . A 92 LYS CG . 34142 1 1024 . 1 1 92 92 LYS CD C 13 30.068 0.000 . . . . . A 92 LYS CD . 34142 1 1025 . 1 1 92 92 LYS CE C 13 42.533 0.000 . . . . . A 92 LYS CE . 34142 1 1026 . 1 1 92 92 LYS N N 15 125.161 0.009 . . . . . A 92 LYS N . 34142 1 1027 . 1 1 93 93 PRO HA H 1 4.755 0.001 . . . . . A 93 PRO HA . 34142 1 1028 . 1 1 93 93 PRO HB2 H 1 2.003 0.002 . . . . . A 93 PRO HB2 . 34142 1 1029 . 1 1 93 93 PRO HB3 H 1 2.462 0.000 . . . . . A 93 PRO HB3 . 34142 1 1030 . 1 1 93 93 PRO HG2 H 1 1.032 0.000 . . . . . A 93 PRO HG2 . 34142 1 1031 . 1 1 93 93 PRO HG3 H 1 1.572 0.000 . . . . . A 93 PRO HG3 . 34142 1 1032 . 1 1 93 93 PRO HD2 H 1 2.528 0.001 . . . . . A 93 PRO HD2 . 34142 1 1033 . 1 1 93 93 PRO HD3 H 1 3.322 0.001 . . . . . A 93 PRO HD3 . 34142 1 1034 . 1 1 93 93 PRO CB C 13 30.040 0.034 . . . . . A 93 PRO CB . 34142 1 1035 . 1 1 93 93 PRO CG C 13 26.230 0.011 . . . . . A 93 PRO CG . 34142 1 1036 . 1 1 93 93 PRO CD C 13 49.773 0.002 . . . . . A 93 PRO CD . 34142 1 1037 . 1 1 94 94 PRO HA H 1 4.555 0.002 . . . . . A 94 PRO HA . 34142 1 1038 . 1 1 94 94 PRO HB2 H 1 2.459 0.002 . . . . . A 94 PRO HB2 . 34142 1 1039 . 1 1 94 94 PRO HB3 H 1 2.015 0.006 . . . . . A 94 PRO HB3 . 34142 1 1040 . 1 1 94 94 PRO HG2 H 1 2.174 0.000 . . . . . A 94 PRO HG2 . 34142 1 1041 . 1 1 94 94 PRO HG3 H 1 2.117 0.000 . . . . . A 94 PRO HG3 . 34142 1 1042 . 1 1 94 94 PRO HD2 H 1 3.875 0.000 . . . . . A 94 PRO HD2 . 34142 1 1043 . 1 1 94 94 PRO HD3 H 1 3.770 0.000 . . . . . A 94 PRO HD3 . 34142 1 1044 . 1 1 94 94 PRO C C 13 177.751 0.000 . . . . . A 94 PRO C . 34142 1 1045 . 1 1 94 94 PRO CA C 13 63.369 0.000 . . . . . A 94 PRO CA . 34142 1 1046 . 1 1 94 94 PRO CB C 13 32.535 0.008 . . . . . A 94 PRO CB . 34142 1 1047 . 1 1 94 94 PRO CG C 13 27.669 0.004 . . . . . A 94 PRO CG . 34142 1 1048 . 1 1 94 94 PRO CD C 13 50.382 0.033 . . . . . A 94 PRO CD . 34142 1 1049 . 1 1 95 95 ARG H H 1 8.828 0.004 . . . . . A 95 ARG H . 34142 1 1050 . 1 1 95 95 ARG HA H 1 4.405 0.003 . . . . . A 95 ARG HA . 34142 1 1051 . 1 1 95 95 ARG HB2 H 1 1.651 0.004 . . . . . A 95 ARG HB2 . 34142 1 1052 . 1 1 95 95 ARG HB3 H 1 1.461 0.002 . . . . . A 95 ARG HB3 . 34142 1 1053 . 1 1 95 95 ARG HG2 H 1 1.062 0.000 . . . . . A 95 ARG HG2 . 34142 1 1054 . 1 1 95 95 ARG HG3 H 1 1.425 0.000 . . . . . A 95 ARG HG3 . 34142 1 1055 . 1 1 95 95 ARG HD2 H 1 2.534 0.000 . . . . . A 95 ARG HD2 . 34142 1 1056 . 1 1 95 95 ARG HD3 H 1 2.534 0.000 . . . . . A 95 ARG HD3 . 34142 1 1057 . 1 1 95 95 ARG HE H 1 6.690 0.000 . . . . . A 95 ARG HE . 34142 1 1058 . 1 1 95 95 ARG C C 13 174.982 0.006 . . . . . A 95 ARG C . 34142 1 1059 . 1 1 95 95 ARG CA C 13 55.457 0.012 . . . . . A 95 ARG CA . 34142 1 1060 . 1 1 95 95 ARG CB C 13 30.342 0.046 . . . . . A 95 ARG CB . 34142 1 1061 . 1 1 95 95 ARG CG C 13 27.254 0.029 . . . . . A 95 ARG CG . 34142 1 1062 . 1 1 95 95 ARG CD C 13 42.781 0.000 . . . . . A 95 ARG CD . 34142 1 1063 . 1 1 95 95 ARG N N 15 121.508 0.020 . . . . . A 95 ARG N . 34142 1 1064 . 1 1 95 95 ARG NE N 15 84.259 0.000 . . . . . A 95 ARG NE . 34142 1 1065 . 1 1 96 96 THR H H 1 7.441 0.007 . . . . . A 96 THR H . 34142 1 1066 . 1 1 96 96 THR HA H 1 4.344 0.000 . . . . . A 96 THR HA . 34142 1 1067 . 1 1 96 96 THR HB H 1 4.136 0.000 . . . . . A 96 THR HB . 34142 1 1068 . 1 1 96 96 THR HG21 H 1 1.165 0.009 . . . . . A 96 THR HG21 . 34142 1 1069 . 1 1 96 96 THR HG22 H 1 1.165 0.009 . . . . . A 96 THR HG22 . 34142 1 1070 . 1 1 96 96 THR HG23 H 1 1.165 0.009 . . . . . A 96 THR HG23 . 34142 1 1071 . 1 1 96 96 THR C C 13 173.760 0.008 . . . . . A 96 THR C . 34142 1 1072 . 1 1 96 96 THR CA C 13 60.775 0.051 . . . . . A 96 THR CA . 34142 1 1073 . 1 1 96 96 THR CB C 13 70.296 0.046 . . . . . A 96 THR CB . 34142 1 1074 . 1 1 96 96 THR CG2 C 13 21.676 0.017 . . . . . A 96 THR CG2 . 34142 1 1075 . 1 1 96 96 THR N N 15 113.119 0.030 . . . . . A 96 THR N . 34142 1 1076 . 1 1 97 97 ARG H H 1 8.467 0.003 . . . . . A 97 ARG H . 34142 1 1077 . 1 1 97 97 ARG HA H 1 4.438 0.001 . . . . . A 97 ARG HA . 34142 1 1078 . 1 1 97 97 ARG HB2 H 1 1.889 0.004 . . . . . A 97 ARG HB2 . 34142 1 1079 . 1 1 97 97 ARG HB3 H 1 1.745 0.002 . . . . . A 97 ARG HB3 . 34142 1 1080 . 1 1 97 97 ARG HG2 H 1 1.651 0.000 . . . . . A 97 ARG HG2 . 34142 1 1081 . 1 1 97 97 ARG HG3 H 1 1.622 0.000 . . . . . A 97 ARG HG3 . 34142 1 1082 . 1 1 97 97 ARG HD2 H 1 3.217 0.000 . . . . . A 97 ARG HD2 . 34142 1 1083 . 1 1 97 97 ARG HD3 H 1 3.217 0.000 . . . . . A 97 ARG HD3 . 34142 1 1084 . 1 1 97 97 ARG C C 13 176.267 0.000 . . . . . A 97 ARG C . 34142 1 1085 . 1 1 97 97 ARG CA C 13 56.068 0.000 . . . . . A 97 ARG CA . 34142 1 1086 . 1 1 97 97 ARG CB C 13 31.342 0.021 . . . . . A 97 ARG CB . 34142 1 1087 . 1 1 97 97 ARG CG C 13 27.306 0.004 . . . . . A 97 ARG CG . 34142 1 1088 . 1 1 97 97 ARG N N 15 123.313 0.019 . . . . . A 97 ARG N . 34142 1 1089 . 1 1 98 98 SER HA H 1 4.482 0.000 . . . . . A 98 SER HA . 34142 1 1090 . 1 1 98 98 SER HB2 H 1 3.917 0.000 . . . . . A 98 SER HB2 . 34142 1 1091 . 1 1 98 98 SER HB3 H 1 3.917 0.000 . . . . . A 98 SER HB3 . 34142 1 1092 . 1 1 98 98 SER CB C 13 64.128 0.000 . . . . . A 98 SER CB . 34142 1 1093 . 1 1 99 99 CYS HA H 1 4.569 0.000 . . . . . A 99 CYS HA . 34142 1 1094 . 1 1 99 99 CYS HB2 H 1 2.948 0.000 . . . . . A 99 CYS HB2 . 34142 1 1095 . 1 1 99 99 CYS HB3 H 1 2.948 0.000 . . . . . A 99 CYS HB3 . 34142 1 1096 . 1 1 99 99 CYS C C 13 173.501 0.000 . . . . . A 99 CYS C . 34142 1 1097 . 1 1 99 99 CYS CA C 13 58.307 0.000 . . . . . A 99 CYS CA . 34142 1 1098 . 1 1 99 99 CYS CB C 13 28.271 0.000 . . . . . A 99 CYS CB . 34142 1 1099 . 1 1 100 100 LEU H H 1 7.947 0.003 . . . . . A 100 LEU H . 34142 1 1100 . 1 1 100 100 LEU HA H 1 4.160 0.000 . . . . . A 100 LEU HA . 34142 1 1101 . 1 1 100 100 LEU C C 13 173.406 0.000 . . . . . A 100 LEU C . 34142 1 1102 . 1 1 100 100 LEU CA C 13 56.977 0.000 . . . . . A 100 LEU CA . 34142 1 1103 . 1 1 100 100 LEU CB C 13 43.266 0.000 . . . . . A 100 LEU CB . 34142 1 1104 . 1 1 100 100 LEU N N 15 129.595 0.024 . . . . . A 100 LEU N . 34142 1 stop_ save_