data_34143 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34143 _Entry.Title ; p130Cas SH3 domain Vinculin 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. . . . 34143 2 V. Veverka V. . . . 34143 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'SH3 domain' . 34143 'STRUCTURE FROM CYANA 3.97' . 34143 p130Cas . 34143 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34143 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 395 34143 '15N chemical shifts' 86 34143 '1H chemical shifts' 648 34143 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 . 34143 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 34141 'CAS SH3 domain' 34143 BMRB 34142 'CAS SH3 domain PTP-PEST peptide chimera' 34143 PDB 5O2Q 'BMRB Entry Tracking System' 34143 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34143 _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. . . . 34143 1 2 R. Hexnerova R. . . . 34143 1 3 M. Lepsik M. . . . 34143 1 4 P. Tesina P. . . . 34143 1 5 M. Dibus M. . . . 34143 1 6 M. Novotny M. . . . 34143 1 7 J. Brabek J. . . . 34143 1 8 V. Veverka V. . . . 34143 1 9 D. Rosel D. . . . 34143 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34143 _Assembly.ID 1 _Assembly.Name 'Breast cancer anti-estrogen resistance 1,Vinculin' _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 . . . . . . 34143 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34143 _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 SGLTDELAPPKPPLPEGEV ; _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 99 _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 . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10623.104 _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 Vinculin peptide chimera' na 34143 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 . 34143 1 2 . SER . 34143 1 3 . MET . 34143 1 4 . LYS . 34143 1 5 . TYR . 34143 1 6 . LEU . 34143 1 7 . ASN . 34143 1 8 . VAL . 34143 1 9 . LEU . 34143 1 10 . ALA . 34143 1 11 . LYS . 34143 1 12 . ALA . 34143 1 13 . LEU . 34143 1 14 . TYR . 34143 1 15 . ASP . 34143 1 16 . ASN . 34143 1 17 . VAL . 34143 1 18 . ALA . 34143 1 19 . GLU . 34143 1 20 . SER . 34143 1 21 . PRO . 34143 1 22 . ASP . 34143 1 23 . GLU . 34143 1 24 . LEU . 34143 1 25 . SER . 34143 1 26 . PHE . 34143 1 27 . ARG . 34143 1 28 . LYS . 34143 1 29 . GLY . 34143 1 30 . ASP . 34143 1 31 . ILE . 34143 1 32 . MET . 34143 1 33 . THR . 34143 1 34 . VAL . 34143 1 35 . LEU . 34143 1 36 . GLU . 34143 1 37 . ARG . 34143 1 38 . ASP . 34143 1 39 . THR . 34143 1 40 . GLN . 34143 1 41 . GLY . 34143 1 42 . LEU . 34143 1 43 . ASP . 34143 1 44 . GLY . 34143 1 45 . TRP . 34143 1 46 . TRP . 34143 1 47 . LEU . 34143 1 48 . CYS . 34143 1 49 . SER . 34143 1 50 . LEU . 34143 1 51 . HIS . 34143 1 52 . GLY . 34143 1 53 . ARG . 34143 1 54 . GLN . 34143 1 55 . GLY . 34143 1 56 . ILE . 34143 1 57 . VAL . 34143 1 58 . PRO . 34143 1 59 . GLY . 34143 1 60 . ASN . 34143 1 61 . ARG . 34143 1 62 . LEU . 34143 1 63 . LYS . 34143 1 64 . ILE . 34143 1 65 . LEU . 34143 1 66 . VAL . 34143 1 67 . GLY . 34143 1 68 . MET . 34143 1 69 . TYR . 34143 1 70 . ASP . 34143 1 71 . LYS . 34143 1 72 . LYS . 34143 1 73 . PRO . 34143 1 74 . ALA . 34143 1 75 . GLY . 34143 1 76 . SER . 34143 1 77 . GLY . 34143 1 78 . GLY . 34143 1 79 . SER . 34143 1 80 . GLY . 34143 1 81 . SER . 34143 1 82 . GLY . 34143 1 83 . LEU . 34143 1 84 . THR . 34143 1 85 . ASP . 34143 1 86 . GLU . 34143 1 87 . LEU . 34143 1 88 . ALA . 34143 1 89 . PRO . 34143 1 90 . PRO . 34143 1 91 . LYS . 34143 1 92 . PRO . 34143 1 93 . PRO . 34143 1 94 . LEU . 34143 1 95 . PRO . 34143 1 96 . GLU . 34143 1 97 . GLY . 34143 1 98 . GLU . 34143 1 99 . VAL . 34143 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 34143 1 . SER 2 2 34143 1 . MET 3 3 34143 1 . LYS 4 4 34143 1 . TYR 5 5 34143 1 . LEU 6 6 34143 1 . ASN 7 7 34143 1 . VAL 8 8 34143 1 . LEU 9 9 34143 1 . ALA 10 10 34143 1 . LYS 11 11 34143 1 . ALA 12 12 34143 1 . LEU 13 13 34143 1 . TYR 14 14 34143 1 . ASP 15 15 34143 1 . ASN 16 16 34143 1 . VAL 17 17 34143 1 . ALA 18 18 34143 1 . GLU 19 19 34143 1 . SER 20 20 34143 1 . PRO 21 21 34143 1 . ASP 22 22 34143 1 . GLU 23 23 34143 1 . LEU 24 24 34143 1 . SER 25 25 34143 1 . PHE 26 26 34143 1 . ARG 27 27 34143 1 . LYS 28 28 34143 1 . GLY 29 29 34143 1 . ASP 30 30 34143 1 . ILE 31 31 34143 1 . MET 32 32 34143 1 . THR 33 33 34143 1 . VAL 34 34 34143 1 . LEU 35 35 34143 1 . GLU 36 36 34143 1 . ARG 37 37 34143 1 . ASP 38 38 34143 1 . THR 39 39 34143 1 . GLN 40 40 34143 1 . GLY 41 41 34143 1 . LEU 42 42 34143 1 . ASP 43 43 34143 1 . GLY 44 44 34143 1 . TRP 45 45 34143 1 . TRP 46 46 34143 1 . LEU 47 47 34143 1 . CYS 48 48 34143 1 . SER 49 49 34143 1 . LEU 50 50 34143 1 . HIS 51 51 34143 1 . GLY 52 52 34143 1 . ARG 53 53 34143 1 . GLN 54 54 34143 1 . GLY 55 55 34143 1 . ILE 56 56 34143 1 . VAL 57 57 34143 1 . PRO 58 58 34143 1 . GLY 59 59 34143 1 . ASN 60 60 34143 1 . ARG 61 61 34143 1 . LEU 62 62 34143 1 . LYS 63 63 34143 1 . ILE 64 64 34143 1 . LEU 65 65 34143 1 . VAL 66 66 34143 1 . GLY 67 67 34143 1 . MET 68 68 34143 1 . TYR 69 69 34143 1 . ASP 70 70 34143 1 . LYS 71 71 34143 1 . LYS 72 72 34143 1 . PRO 73 73 34143 1 . ALA 74 74 34143 1 . GLY 75 75 34143 1 . SER 76 76 34143 1 . GLY 77 77 34143 1 . GLY 78 78 34143 1 . SER 79 79 34143 1 . GLY 80 80 34143 1 . SER 81 81 34143 1 . GLY 82 82 34143 1 . LEU 83 83 34143 1 . THR 84 84 34143 1 . ASP 85 85 34143 1 . GLU 86 86 34143 1 . LEU 87 87 34143 1 . ALA 88 88 34143 1 . PRO 89 89 34143 1 . PRO 90 90 34143 1 . LYS 91 91 34143 1 . PRO 92 92 34143 1 . PRO 93 93 34143 1 . LEU 94 94 34143 1 . PRO 95 95 34143 1 . GLU 96 96 34143 1 . GLY 97 97 34143 1 . GLU 98 98 34143 1 . VAL 99 99 34143 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 34143 _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 . 34143 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 34143 _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 . . . . . . . . . . 34143 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34143 _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 . . . . 34143 1 2 TCEP 'natural abundance' . . . . . . 1 . . M . . . . 34143 1 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 34143 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 34143 _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 34143 1 pH 7.5 . pH 34143 1 pressure 1 . atm 34143 1 temperature 298 . K 34143 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34143 _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' . . 34143 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34143 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34143 _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 . . 34143 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34143 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34143 _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' . . 34143 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 34143 3 processing 34143 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34143 _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 . . 34143 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34143 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 34143 _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 34143 _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 34143 _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 . . . 34143 1 2 NMR_spectrometer_2 Bruker AvanceIII . 850 . . . 34143 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 34143 _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 . . . . . . . . . . . . . . . . 34143 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34143 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34143 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34143 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34143 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 34143 _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 . . . . . 34143 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34143 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34143 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 34143 _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' . . . 34143 1 2 '3D HNCACB' . . . 34143 1 3 '3D CBCA(CO)NH' . . . 34143 1 4 '3D 1H-15N NOESY' . . . 34143 1 5 '3D 1H-13C NOESY' . . . 34143 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 4.236 0.004 . . . . . A 4 LYS HA . 34143 1 2 . 1 1 4 4 LYS HB2 H 1 1.687 0.000 . . . . . A 4 LYS HB2 . 34143 1 3 . 1 1 4 4 LYS HB3 H 1 1.611 0.000 . . . . . A 4 LYS HB3 . 34143 1 4 . 1 1 4 4 LYS HG2 H 1 1.278 0.000 . . . . . A 4 LYS HG2 . 34143 1 5 . 1 1 4 4 LYS HG3 H 1 1.208 0.001 . . . . . A 4 LYS HG3 . 34143 1 6 . 1 1 4 4 LYS HD2 H 1 1.591 0.000 . . . . . A 4 LYS HD2 . 34143 1 7 . 1 1 4 4 LYS HD3 H 1 1.591 0.000 . . . . . A 4 LYS HD3 . 34143 1 8 . 1 1 4 4 LYS HE2 H 1 2.924 0.000 . . . . . A 4 LYS HE2 . 34143 1 9 . 1 1 4 4 LYS HE3 H 1 2.924 0.000 . . . . . A 4 LYS HE3 . 34143 1 10 . 1 1 4 4 LYS C C 13 176.099 0.003 . . . . . A 4 LYS C . 34143 1 11 . 1 1 4 4 LYS CA C 13 56.108 0.032 . . . . . A 4 LYS CA . 34143 1 12 . 1 1 4 4 LYS CB C 13 32.981 0.018 . . . . . A 4 LYS CB . 34143 1 13 . 1 1 4 4 LYS CG C 13 24.554 0.005 . . . . . A 4 LYS CG . 34143 1 14 . 1 1 4 4 LYS CD C 13 29.048 0.029 . . . . . A 4 LYS CD . 34143 1 15 . 1 1 4 4 LYS CE C 13 42.126 0.000 . . . . . A 4 LYS CE . 34143 1 16 . 1 1 5 5 TYR H H 1 8.012 0.002 . . . . . A 5 TYR H . 34143 1 17 . 1 1 5 5 TYR HA H 1 4.954 0.005 . . . . . A 5 TYR HA . 34143 1 18 . 1 1 5 5 TYR HB2 H 1 2.886 0.006 . . . . . A 5 TYR HB2 . 34143 1 19 . 1 1 5 5 TYR HB3 H 1 3.152 0.009 . . . . . A 5 TYR HB3 . 34143 1 20 . 1 1 5 5 TYR HD1 H 1 7.090 0.001 . . . . . A 5 TYR HD1 . 34143 1 21 . 1 1 5 5 TYR HD2 H 1 7.090 0.001 . . . . . A 5 TYR HD2 . 34143 1 22 . 1 1 5 5 TYR HE1 H 1 6.769 0.001 . . . . . A 5 TYR HE1 . 34143 1 23 . 1 1 5 5 TYR HE2 H 1 6.769 0.001 . . . . . A 5 TYR HE2 . 34143 1 24 . 1 1 5 5 TYR C C 13 176.391 0.009 . . . . . A 5 TYR C . 34143 1 25 . 1 1 5 5 TYR CA C 13 55.770 0.027 . . . . . A 5 TYR CA . 34143 1 26 . 1 1 5 5 TYR CB C 13 38.959 0.026 . . . . . A 5 TYR CB . 34143 1 27 . 1 1 5 5 TYR CD1 C 13 132.514 0.077 . . . . . A 5 TYR CD1 . 34143 1 28 . 1 1 5 5 TYR CE1 C 13 118.024 0.000 . . . . . A 5 TYR CE1 . 34143 1 29 . 1 1 5 5 TYR N N 15 120.917 0.031 . . . . . A 5 TYR N . 34143 1 30 . 1 1 6 6 LEU H H 1 8.631 0.002 . . . . . A 6 LEU H . 34143 1 31 . 1 1 6 6 LEU HA H 1 4.143 0.005 . . . . . A 6 LEU HA . 34143 1 32 . 1 1 6 6 LEU HB2 H 1 1.570 0.002 . . . . . A 6 LEU HB2 . 34143 1 33 . 1 1 6 6 LEU HB3 H 1 1.369 0.002 . . . . . A 6 LEU HB3 . 34143 1 34 . 1 1 6 6 LEU HG H 1 1.638 0.000 . . . . . A 6 LEU HG . 34143 1 35 . 1 1 6 6 LEU HD11 H 1 0.674 0.000 . . . . . A 6 LEU HD11 . 34143 1 36 . 1 1 6 6 LEU HD12 H 1 0.674 0.000 . . . . . A 6 LEU HD12 . 34143 1 37 . 1 1 6 6 LEU HD13 H 1 0.674 0.000 . . . . . A 6 LEU HD13 . 34143 1 38 . 1 1 6 6 LEU HD21 H 1 0.768 0.000 . . . . . A 6 LEU HD21 . 34143 1 39 . 1 1 6 6 LEU HD22 H 1 0.768 0.000 . . . . . A 6 LEU HD22 . 34143 1 40 . 1 1 6 6 LEU HD23 H 1 0.768 0.000 . . . . . A 6 LEU HD23 . 34143 1 41 . 1 1 6 6 LEU C C 13 177.032 0.005 . . . . . A 6 LEU C . 34143 1 42 . 1 1 6 6 LEU CA C 13 56.387 0.029 . . . . . A 6 LEU CA . 34143 1 43 . 1 1 6 6 LEU CB C 13 42.422 0.033 . . . . . A 6 LEU CB . 34143 1 44 . 1 1 6 6 LEU CG C 13 26.728 0.038 . . . . . A 6 LEU CG . 34143 1 45 . 1 1 6 6 LEU CD1 C 13 24.986 0.081 . . . . . A 6 LEU CD1 . 34143 1 46 . 1 1 6 6 LEU CD2 C 13 23.027 0.000 . . . . . A 6 LEU CD2 . 34143 1 47 . 1 1 6 6 LEU N N 15 121.799 0.011 . . . . . A 6 LEU N . 34143 1 48 . 1 1 7 7 ASN H H 1 8.020 0.005 . . . . . A 7 ASN H . 34143 1 49 . 1 1 7 7 ASN HA H 1 4.251 0.008 . . . . . A 7 ASN HA . 34143 1 50 . 1 1 7 7 ASN HB2 H 1 2.886 0.002 . . . . . A 7 ASN HB2 . 34143 1 51 . 1 1 7 7 ASN HB3 H 1 2.708 0.001 . . . . . A 7 ASN HB3 . 34143 1 52 . 1 1 7 7 ASN HD21 H 1 7.376 0.001 . . . . . A 7 ASN HD21 . 34143 1 53 . 1 1 7 7 ASN HD22 H 1 6.710 0.001 . . . . . A 7 ASN HD22 . 34143 1 54 . 1 1 7 7 ASN C C 13 174.452 0.005 . . . . . A 7 ASN C . 34143 1 55 . 1 1 7 7 ASN CA C 13 54.025 0.091 . . . . . A 7 ASN CA . 34143 1 56 . 1 1 7 7 ASN CB C 13 37.525 0.041 . . . . . A 7 ASN CB . 34143 1 57 . 1 1 7 7 ASN N N 15 114.480 0.021 . . . . . A 7 ASN N . 34143 1 58 . 1 1 7 7 ASN ND2 N 15 111.639 0.004 . . . . . A 7 ASN ND2 . 34143 1 59 . 1 1 8 8 VAL H H 1 7.410 0.007 . . . . . A 8 VAL H . 34143 1 60 . 1 1 8 8 VAL HA H 1 4.539 0.005 . . . . . A 8 VAL HA . 34143 1 61 . 1 1 8 8 VAL HB H 1 2.098 0.002 . . . . . A 8 VAL HB . 34143 1 62 . 1 1 8 8 VAL HG11 H 1 0.864 0.005 . . . . . A 8 VAL HG11 . 34143 1 63 . 1 1 8 8 VAL HG12 H 1 0.864 0.005 . . . . . A 8 VAL HG12 . 34143 1 64 . 1 1 8 8 VAL HG13 H 1 0.864 0.005 . . . . . A 8 VAL HG13 . 34143 1 65 . 1 1 8 8 VAL HG21 H 1 0.803 0.002 . . . . . A 8 VAL HG21 . 34143 1 66 . 1 1 8 8 VAL HG22 H 1 0.803 0.002 . . . . . A 8 VAL HG22 . 34143 1 67 . 1 1 8 8 VAL HG23 H 1 0.803 0.002 . . . . . A 8 VAL HG23 . 34143 1 68 . 1 1 8 8 VAL C C 13 174.282 0.006 . . . . . A 8 VAL C . 34143 1 69 . 1 1 8 8 VAL CA C 13 60.033 0.078 . . . . . A 8 VAL CA . 34143 1 70 . 1 1 8 8 VAL CB C 13 33.922 0.029 . . . . . A 8 VAL CB . 34143 1 71 . 1 1 8 8 VAL CG1 C 13 21.577 0.037 . . . . . A 8 VAL CG1 . 34143 1 72 . 1 1 8 8 VAL CG2 C 13 20.123 0.118 . . . . . A 8 VAL CG2 . 34143 1 73 . 1 1 8 8 VAL N N 15 114.188 0.025 . . . . . A 8 VAL N . 34143 1 74 . 1 1 9 9 LEU H H 1 8.466 0.001 . . . . . A 9 LEU H . 34143 1 75 . 1 1 9 9 LEU HA H 1 5.067 0.005 . . . . . A 9 LEU HA . 34143 1 76 . 1 1 9 9 LEU HB2 H 1 1.775 0.007 . . . . . A 9 LEU HB2 . 34143 1 77 . 1 1 9 9 LEU HB3 H 1 1.235 0.008 . . . . . A 9 LEU HB3 . 34143 1 78 . 1 1 9 9 LEU HG H 1 1.688 0.014 . . . . . A 9 LEU HG . 34143 1 79 . 1 1 9 9 LEU HD11 H 1 0.828 0.006 . . . . . A 9 LEU HD11 . 34143 1 80 . 1 1 9 9 LEU HD12 H 1 0.828 0.006 . . . . . A 9 LEU HD12 . 34143 1 81 . 1 1 9 9 LEU HD13 H 1 0.828 0.006 . . . . . A 9 LEU HD13 . 34143 1 82 . 1 1 9 9 LEU HD21 H 1 0.711 0.002 . . . . . A 9 LEU HD21 . 34143 1 83 . 1 1 9 9 LEU HD22 H 1 0.711 0.002 . . . . . A 9 LEU HD22 . 34143 1 84 . 1 1 9 9 LEU HD23 H 1 0.711 0.002 . . . . . A 9 LEU HD23 . 34143 1 85 . 1 1 9 9 LEU C C 13 176.376 0.007 . . . . . A 9 LEU C . 34143 1 86 . 1 1 9 9 LEU CA C 13 54.255 0.025 . . . . . A 9 LEU CA . 34143 1 87 . 1 1 9 9 LEU CB C 13 44.361 0.011 . . . . . A 9 LEU CB . 34143 1 88 . 1 1 9 9 LEU CG C 13 27.050 0.031 . . . . . A 9 LEU CG . 34143 1 89 . 1 1 9 9 LEU CD1 C 13 25.455 0.087 . . . . . A 9 LEU CD1 . 34143 1 90 . 1 1 9 9 LEU CD2 C 13 23.156 0.016 . . . . . A 9 LEU CD2 . 34143 1 91 . 1 1 9 9 LEU N N 15 124.055 0.021 . . . . . A 9 LEU N . 34143 1 92 . 1 1 10 10 ALA H H 1 9.142 0.006 . . . . . A 10 ALA H . 34143 1 93 . 1 1 10 10 ALA HA H 1 5.109 0.005 . . . . . A 10 ALA HA . 34143 1 94 . 1 1 10 10 ALA HB1 H 1 1.148 0.004 . . . . . A 10 ALA HB1 . 34143 1 95 . 1 1 10 10 ALA HB2 H 1 1.148 0.004 . . . . . A 10 ALA HB2 . 34143 1 96 . 1 1 10 10 ALA HB3 H 1 1.148 0.004 . . . . . A 10 ALA HB3 . 34143 1 97 . 1 1 10 10 ALA C C 13 174.163 0.004 . . . . . A 10 ALA C . 34143 1 98 . 1 1 10 10 ALA CA C 13 50.348 0.067 . . . . . A 10 ALA CA . 34143 1 99 . 1 1 10 10 ALA CB C 13 24.915 0.038 . . . . . A 10 ALA CB . 34143 1 100 . 1 1 10 10 ALA N N 15 121.081 0.014 . . . . . A 10 ALA N . 34143 1 101 . 1 1 11 11 LYS H H 1 8.810 0.006 . . . . . A 11 LYS H . 34143 1 102 . 1 1 11 11 LYS HA H 1 5.183 0.005 . . . . . A 11 LYS HA . 34143 1 103 . 1 1 11 11 LYS HB2 H 1 1.465 0.000 . . . . . A 11 LYS HB2 . 34143 1 104 . 1 1 11 11 LYS HB3 H 1 1.582 0.005 . . . . . A 11 LYS HB3 . 34143 1 105 . 1 1 11 11 LYS HG2 H 1 1.253 0.003 . . . . . A 11 LYS HG2 . 34143 1 106 . 1 1 11 11 LYS HG3 H 1 1.173 0.005 . . . . . A 11 LYS HG3 . 34143 1 107 . 1 1 11 11 LYS HD2 H 1 1.611 0.004 . . . . . A 11 LYS HD2 . 34143 1 108 . 1 1 11 11 LYS HD3 H 1 1.611 0.004 . . . . . A 11 LYS HD3 . 34143 1 109 . 1 1 11 11 LYS HE2 H 1 2.860 0.001 . . . . . A 11 LYS HE2 . 34143 1 110 . 1 1 11 11 LYS HE3 H 1 2.860 0.001 . . . . . A 11 LYS HE3 . 34143 1 111 . 1 1 11 11 LYS C C 13 175.729 0.007 . . . . . A 11 LYS C . 34143 1 112 . 1 1 11 11 LYS CA C 13 53.265 0.056 . . . . . A 11 LYS CA . 34143 1 113 . 1 1 11 11 LYS CB C 13 37.062 0.042 . . . . . A 11 LYS CB . 34143 1 114 . 1 1 11 11 LYS CG C 13 24.625 0.016 . . . . . A 11 LYS CG . 34143 1 115 . 1 1 11 11 LYS CD C 13 30.005 0.054 . . . . . A 11 LYS CD . 34143 1 116 . 1 1 11 11 LYS CE C 13 41.916 0.060 . . . . . A 11 LYS CE . 34143 1 117 . 1 1 11 11 LYS N N 15 119.689 0.018 . . . . . A 11 LYS N . 34143 1 118 . 1 1 12 12 ALA H H 1 9.014 0.005 . . . . . A 12 ALA H . 34143 1 119 . 1 1 12 12 ALA HA H 1 4.494 0.004 . . . . . A 12 ALA HA . 34143 1 120 . 1 1 12 12 ALA HB1 H 1 1.547 0.004 . . . . . A 12 ALA HB1 . 34143 1 121 . 1 1 12 12 ALA HB2 H 1 1.547 0.004 . . . . . A 12 ALA HB2 . 34143 1 122 . 1 1 12 12 ALA HB3 H 1 1.547 0.004 . . . . . A 12 ALA HB3 . 34143 1 123 . 1 1 12 12 ALA C C 13 179.196 0.002 . . . . . A 12 ALA C . 34143 1 124 . 1 1 12 12 ALA CA C 13 52.307 0.014 . . . . . A 12 ALA CA . 34143 1 125 . 1 1 12 12 ALA CB C 13 20.974 0.019 . . . . . A 12 ALA CB . 34143 1 126 . 1 1 12 12 ALA N N 15 126.614 0.026 . . . . . A 12 ALA N . 34143 1 127 . 1 1 13 13 LEU H H 1 9.386 0.003 . . . . . A 13 LEU H . 34143 1 128 . 1 1 13 13 LEU HA H 1 3.957 0.006 . . . . . A 13 LEU HA . 34143 1 129 . 1 1 13 13 LEU HB2 H 1 1.324 0.015 . . . . . A 13 LEU HB2 . 34143 1 130 . 1 1 13 13 LEU HB3 H 1 0.837 0.000 . . . . . A 13 LEU HB3 . 34143 1 131 . 1 1 13 13 LEU HG H 1 1.365 0.005 . . . . . A 13 LEU HG . 34143 1 132 . 1 1 13 13 LEU HD11 H 1 0.714 0.001 . . . . . A 13 LEU HD11 . 34143 1 133 . 1 1 13 13 LEU HD12 H 1 0.714 0.001 . . . . . A 13 LEU HD12 . 34143 1 134 . 1 1 13 13 LEU HD13 H 1 0.714 0.001 . . . . . A 13 LEU HD13 . 34143 1 135 . 1 1 13 13 LEU HD21 H 1 0.667 0.008 . . . . . A 13 LEU HD21 . 34143 1 136 . 1 1 13 13 LEU HD22 H 1 0.667 0.008 . . . . . A 13 LEU HD22 . 34143 1 137 . 1 1 13 13 LEU HD23 H 1 0.667 0.008 . . . . . A 13 LEU HD23 . 34143 1 138 . 1 1 13 13 LEU C C 13 174.546 0.002 . . . . . A 13 LEU C . 34143 1 139 . 1 1 13 13 LEU CA C 13 55.316 0.033 . . . . . A 13 LEU CA . 34143 1 140 . 1 1 13 13 LEU CB C 13 44.100 0.024 . . . . . A 13 LEU CB . 34143 1 141 . 1 1 13 13 LEU CG C 13 26.643 0.061 . . . . . A 13 LEU CG . 34143 1 142 . 1 1 13 13 LEU CD1 C 13 25.629 0.037 . . . . . A 13 LEU CD1 . 34143 1 143 . 1 1 13 13 LEU CD2 C 13 21.982 0.025 . . . . . A 13 LEU CD2 . 34143 1 144 . 1 1 13 13 LEU N N 15 126.969 0.011 . . . . . A 13 LEU N . 34143 1 145 . 1 1 14 14 TYR H H 1 7.302 0.007 . . . . . A 14 TYR H . 34143 1 146 . 1 1 14 14 TYR HA H 1 4.723 0.006 . . . . . A 14 TYR HA . 34143 1 147 . 1 1 14 14 TYR HB2 H 1 2.247 0.006 . . . . . A 14 TYR HB2 . 34143 1 148 . 1 1 14 14 TYR HB3 H 1 3.525 0.002 . . . . . A 14 TYR HB3 . 34143 1 149 . 1 1 14 14 TYR HD1 H 1 7.014 0.001 . . . . . A 14 TYR HD1 . 34143 1 150 . 1 1 14 14 TYR HD2 H 1 7.014 0.001 . . . . . A 14 TYR HD2 . 34143 1 151 . 1 1 14 14 TYR HE1 H 1 6.698 0.001 . . . . . A 14 TYR HE1 . 34143 1 152 . 1 1 14 14 TYR HE2 H 1 6.698 0.001 . . . . . A 14 TYR HE2 . 34143 1 153 . 1 1 14 14 TYR C C 13 173.669 0.010 . . . . . A 14 TYR C . 34143 1 154 . 1 1 14 14 TYR CA C 13 55.010 0.100 . . . . . A 14 TYR CA . 34143 1 155 . 1 1 14 14 TYR CB C 13 44.768 0.024 . . . . . A 14 TYR CB . 34143 1 156 . 1 1 14 14 TYR CD1 C 13 133.683 0.003 . . . . . A 14 TYR CD1 . 34143 1 157 . 1 1 14 14 TYR CE1 C 13 118.568 0.028 . . . . . A 14 TYR CE1 . 34143 1 158 . 1 1 14 14 TYR N N 15 111.462 0.022 . . . . . A 14 TYR N . 34143 1 159 . 1 1 15 15 ASP H H 1 8.406 0.003 . . . . . A 15 ASP H . 34143 1 160 . 1 1 15 15 ASP HA H 1 4.575 0.009 . . . . . A 15 ASP HA . 34143 1 161 . 1 1 15 15 ASP HB2 H 1 2.719 0.007 . . . . . A 15 ASP HB2 . 34143 1 162 . 1 1 15 15 ASP HB3 H 1 2.557 0.002 . . . . . A 15 ASP HB3 . 34143 1 163 . 1 1 15 15 ASP C C 13 175.531 0.005 . . . . . A 15 ASP C . 34143 1 164 . 1 1 15 15 ASP CA C 13 54.597 0.056 . . . . . A 15 ASP CA . 34143 1 165 . 1 1 15 15 ASP CB C 13 42.090 0.030 . . . . . A 15 ASP CB . 34143 1 166 . 1 1 15 15 ASP N N 15 117.130 0.023 . . . . . A 15 ASP N . 34143 1 167 . 1 1 16 16 ASN H H 1 8.451 0.006 . . . . . A 16 ASN H . 34143 1 168 . 1 1 16 16 ASN HA H 1 4.494 0.004 . . . . . A 16 ASN HA . 34143 1 169 . 1 1 16 16 ASN HB2 H 1 1.266 0.000 . . . . . A 16 ASN HB2 . 34143 1 170 . 1 1 16 16 ASN HB3 H 1 0.672 0.000 . . . . . A 16 ASN HB3 . 34143 1 171 . 1 1 16 16 ASN HD21 H 1 7.053 0.000 . . . . . A 16 ASN HD21 . 34143 1 172 . 1 1 16 16 ASN HD22 H 1 8.284 0.000 . . . . . A 16 ASN HD22 . 34143 1 173 . 1 1 16 16 ASN C C 13 173.516 0.007 . . . . . A 16 ASN C . 34143 1 174 . 1 1 16 16 ASN CA C 13 54.205 0.039 . . . . . A 16 ASN CA . 34143 1 175 . 1 1 16 16 ASN CB C 13 43.665 0.014 . . . . . A 16 ASN CB . 34143 1 176 . 1 1 16 16 ASN N N 15 116.788 0.026 . . . . . A 16 ASN N . 34143 1 177 . 1 1 16 16 ASN ND2 N 15 113.939 0.000 . . . . . A 16 ASN ND2 . 34143 1 178 . 1 1 17 17 VAL H H 1 8.562 0.003 . . . . . A 17 VAL H . 34143 1 179 . 1 1 17 17 VAL HA H 1 4.042 0.007 . . . . . A 17 VAL HA . 34143 1 180 . 1 1 17 17 VAL HB H 1 1.828 0.002 . . . . . A 17 VAL HB . 34143 1 181 . 1 1 17 17 VAL HG11 H 1 0.832 0.003 . . . . . A 17 VAL HG11 . 34143 1 182 . 1 1 17 17 VAL HG12 H 1 0.832 0.003 . . . . . A 17 VAL HG12 . 34143 1 183 . 1 1 17 17 VAL HG13 H 1 0.832 0.003 . . . . . A 17 VAL HG13 . 34143 1 184 . 1 1 17 17 VAL HG21 H 1 0.832 0.003 . . . . . A 17 VAL HG21 . 34143 1 185 . 1 1 17 17 VAL HG22 H 1 0.832 0.003 . . . . . A 17 VAL HG22 . 34143 1 186 . 1 1 17 17 VAL HG23 H 1 0.832 0.003 . . . . . A 17 VAL HG23 . 34143 1 187 . 1 1 17 17 VAL C C 13 175.006 0.003 . . . . . A 17 VAL C . 34143 1 188 . 1 1 17 17 VAL CA C 13 60.958 0.038 . . . . . A 17 VAL CA . 34143 1 189 . 1 1 17 17 VAL CB C 13 32.778 0.017 . . . . . A 17 VAL CB . 34143 1 190 . 1 1 17 17 VAL CG1 C 13 20.785 0.001 . . . . . A 17 VAL CG1 . 34143 1 191 . 1 1 17 17 VAL N N 15 128.582 0.011 . . . . . A 17 VAL N . 34143 1 192 . 1 1 18 18 ALA H H 1 8.191 0.003 . . . . . A 18 ALA H . 34143 1 193 . 1 1 18 18 ALA HA H 1 3.682 0.005 . . . . . A 18 ALA HA . 34143 1 194 . 1 1 18 18 ALA HB1 H 1 1.312 0.005 . . . . . A 18 ALA HB1 . 34143 1 195 . 1 1 18 18 ALA HB2 H 1 1.312 0.005 . . . . . A 18 ALA HB2 . 34143 1 196 . 1 1 18 18 ALA HB3 H 1 1.312 0.005 . . . . . A 18 ALA HB3 . 34143 1 197 . 1 1 18 18 ALA C C 13 178.453 0.006 . . . . . A 18 ALA C . 34143 1 198 . 1 1 18 18 ALA CA C 13 53.090 0.146 . . . . . A 18 ALA CA . 34143 1 199 . 1 1 18 18 ALA CB C 13 20.165 0.028 . . . . . A 18 ALA CB . 34143 1 200 . 1 1 18 18 ALA N N 15 128.721 0.022 . . . . . A 18 ALA N . 34143 1 201 . 1 1 19 19 GLU H H 1 9.267 0.002 . . . . . A 19 GLU H . 34143 1 202 . 1 1 19 19 GLU HA H 1 4.375 0.007 . . . . . A 19 GLU HA . 34143 1 203 . 1 1 19 19 GLU HB2 H 1 1.999 0.004 . . . . . A 19 GLU HB2 . 34143 1 204 . 1 1 19 19 GLU HB3 H 1 2.290 0.000 . . . . . A 19 GLU HB3 . 34143 1 205 . 1 1 19 19 GLU HG2 H 1 2.229 0.007 . . . . . A 19 GLU HG2 . 34143 1 206 . 1 1 19 19 GLU HG3 H 1 2.146 0.001 . . . . . A 19 GLU HG3 . 34143 1 207 . 1 1 19 19 GLU C C 13 175.107 0.005 . . . . . A 19 GLU C . 34143 1 208 . 1 1 19 19 GLU CA C 13 56.048 0.016 . . . . . A 19 GLU CA . 34143 1 209 . 1 1 19 19 GLU CB C 13 32.314 0.047 . . . . . A 19 GLU CB . 34143 1 210 . 1 1 19 19 GLU CG C 13 37.939 0.043 . . . . . A 19 GLU CG . 34143 1 211 . 1 1 19 19 GLU N N 15 122.154 0.017 . . . . . A 19 GLU N . 34143 1 212 . 1 1 20 20 SER H H 1 7.788 0.006 . . . . . A 20 SER H . 34143 1 213 . 1 1 20 20 SER HA H 1 4.870 0.001 . . . . . A 20 SER HA . 34143 1 214 . 1 1 20 20 SER HB2 H 1 3.847 0.000 . . . . . A 20 SER HB2 . 34143 1 215 . 1 1 20 20 SER HB3 H 1 3.719 0.000 . . . . . A 20 SER HB3 . 34143 1 216 . 1 1 20 20 SER C C 13 173.832 0.000 . . . . . A 20 SER C . 34143 1 217 . 1 1 20 20 SER CA C 13 56.622 0.000 . . . . . A 20 SER CA . 34143 1 218 . 1 1 20 20 SER CB C 13 63.385 0.015 . . . . . A 20 SER CB . 34143 1 219 . 1 1 20 20 SER N N 15 115.513 0.015 . . . . . A 20 SER N . 34143 1 220 . 1 1 21 21 PRO HA H 1 4.318 0.004 . . . . . A 21 PRO HA . 34143 1 221 . 1 1 21 21 PRO HB2 H 1 1.886 0.006 . . . . . A 21 PRO HB2 . 34143 1 222 . 1 1 21 21 PRO HB3 H 1 2.365 0.003 . . . . . A 21 PRO HB3 . 34143 1 223 . 1 1 21 21 PRO HG2 H 1 2.056 0.005 . . . . . A 21 PRO HG2 . 34143 1 224 . 1 1 21 21 PRO HG3 H 1 1.959 0.005 . . . . . A 21 PRO HG3 . 34143 1 225 . 1 1 21 21 PRO HD2 H 1 3.824 0.000 . . . . . A 21 PRO HD2 . 34143 1 226 . 1 1 21 21 PRO HD3 H 1 3.734 0.002 . . . . . A 21 PRO HD3 . 34143 1 227 . 1 1 21 21 PRO C C 13 177.032 0.003 . . . . . A 21 PRO C . 34143 1 228 . 1 1 21 21 PRO CA C 13 65.401 0.130 . . . . . A 21 PRO CA . 34143 1 229 . 1 1 21 21 PRO CB C 13 32.254 0.096 . . . . . A 21 PRO CB . 34143 1 230 . 1 1 21 21 PRO CG C 13 27.584 0.062 . . . . . A 21 PRO CG . 34143 1 231 . 1 1 21 21 PRO CD C 13 50.924 0.047 . . . . . A 21 PRO CD . 34143 1 232 . 1 1 22 22 ASP H H 1 8.163 0.002 . . . . . A 22 ASP H . 34143 1 233 . 1 1 22 22 ASP HA H 1 4.695 0.007 . . . . . A 22 ASP HA . 34143 1 234 . 1 1 22 22 ASP HB2 H 1 2.384 0.007 . . . . . A 22 ASP HB2 . 34143 1 235 . 1 1 22 22 ASP HB3 H 1 2.786 0.005 . . . . . A 22 ASP HB3 . 34143 1 236 . 1 1 22 22 ASP C C 13 175.475 0.007 . . . . . A 22 ASP C . 34143 1 237 . 1 1 22 22 ASP CA C 13 54.432 0.039 . . . . . A 22 ASP CA . 34143 1 238 . 1 1 22 22 ASP CB C 13 41.306 0.023 . . . . . A 22 ASP CB . 34143 1 239 . 1 1 22 22 ASP N N 15 114.024 0.024 . . . . . A 22 ASP N . 34143 1 240 . 1 1 23 23 GLU H H 1 7.505 0.007 . . . . . A 23 GLU H . 34143 1 241 . 1 1 23 23 GLU HA H 1 4.992 0.009 . . . . . A 23 GLU HA . 34143 1 242 . 1 1 23 23 GLU HB2 H 1 1.725 0.004 . . . . . A 23 GLU HB2 . 34143 1 243 . 1 1 23 23 GLU HB3 H 1 2.093 0.001 . . . . . A 23 GLU HB3 . 34143 1 244 . 1 1 23 23 GLU HG2 H 1 2.899 0.000 . . . . . A 23 GLU HG2 . 34143 1 245 . 1 1 23 23 GLU HG3 H 1 2.479 0.006 . . . . . A 23 GLU HG3 . 34143 1 246 . 1 1 23 23 GLU C C 13 175.660 0.003 . . . . . A 23 GLU C . 34143 1 247 . 1 1 23 23 GLU CA C 13 54.901 0.062 . . . . . A 23 GLU CA . 34143 1 248 . 1 1 23 23 GLU CB C 13 31.673 0.038 . . . . . A 23 GLU CB . 34143 1 249 . 1 1 23 23 GLU CG C 13 36.199 0.026 . . . . . A 23 GLU CG . 34143 1 250 . 1 1 23 23 GLU N N 15 123.349 0.020 . . . . . A 23 GLU N . 34143 1 251 . 1 1 24 24 LEU H H 1 8.179 0.004 . . . . . A 24 LEU H . 34143 1 252 . 1 1 24 24 LEU HA H 1 4.631 0.008 . . . . . A 24 LEU HA . 34143 1 253 . 1 1 24 24 LEU HB2 H 1 1.711 0.000 . . . . . A 24 LEU HB2 . 34143 1 254 . 1 1 24 24 LEU HB3 H 1 1.538 0.000 . . . . . A 24 LEU HB3 . 34143 1 255 . 1 1 24 24 LEU HG H 1 1.448 0.002 . . . . . A 24 LEU HG . 34143 1 256 . 1 1 24 24 LEU HD11 H 1 0.773 0.003 . . . . . A 24 LEU HD11 . 34143 1 257 . 1 1 24 24 LEU HD12 H 1 0.773 0.003 . . . . . A 24 LEU HD12 . 34143 1 258 . 1 1 24 24 LEU HD13 H 1 0.773 0.003 . . . . . A 24 LEU HD13 . 34143 1 259 . 1 1 24 24 LEU HD21 H 1 0.772 0.003 . . . . . A 24 LEU HD21 . 34143 1 260 . 1 1 24 24 LEU HD22 H 1 0.772 0.003 . . . . . A 24 LEU HD22 . 34143 1 261 . 1 1 24 24 LEU HD23 H 1 0.772 0.003 . . . . . A 24 LEU HD23 . 34143 1 262 . 1 1 24 24 LEU C C 13 176.837 0.005 . . . . . A 24 LEU C . 34143 1 263 . 1 1 24 24 LEU CA C 13 54.372 0.056 . . . . . A 24 LEU CA . 34143 1 264 . 1 1 24 24 LEU CB C 13 43.518 0.048 . . . . . A 24 LEU CB . 34143 1 265 . 1 1 24 24 LEU CG C 13 26.810 0.012 . . . . . A 24 LEU CG . 34143 1 266 . 1 1 24 24 LEU CD1 C 13 25.548 0.048 . . . . . A 24 LEU CD1 . 34143 1 267 . 1 1 24 24 LEU CD2 C 13 22.578 0.038 . . . . . A 24 LEU CD2 . 34143 1 268 . 1 1 24 24 LEU N N 15 123.801 0.028 . . . . . A 24 LEU N . 34143 1 269 . 1 1 25 25 SER H H 1 8.041 0.002 . . . . . A 25 SER H . 34143 1 270 . 1 1 25 25 SER HA H 1 4.620 0.000 . . . . . A 25 SER HA . 34143 1 271 . 1 1 25 25 SER HB2 H 1 4.011 0.001 . . . . . A 25 SER HB2 . 34143 1 272 . 1 1 25 25 SER HB3 H 1 3.853 0.003 . . . . . A 25 SER HB3 . 34143 1 273 . 1 1 25 25 SER C C 13 173.724 0.011 . . . . . A 25 SER C . 34143 1 274 . 1 1 25 25 SER CA C 13 57.581 0.023 . . . . . A 25 SER CA . 34143 1 275 . 1 1 25 25 SER CB C 13 64.622 0.037 . . . . . A 25 SER CB . 34143 1 276 . 1 1 25 25 SER N N 15 116.796 0.015 . . . . . A 25 SER N . 34143 1 277 . 1 1 26 26 PHE H H 1 8.500 0.004 . . . . . A 26 PHE H . 34143 1 278 . 1 1 26 26 PHE HA H 1 4.849 0.005 . . . . . A 26 PHE HA . 34143 1 279 . 1 1 26 26 PHE HB2 H 1 3.390 0.002 . . . . . A 26 PHE HB2 . 34143 1 280 . 1 1 26 26 PHE HB3 H 1 3.450 0.000 . . . . . A 26 PHE HB3 . 34143 1 281 . 1 1 26 26 PHE HD1 H 1 6.824 0.004 . . . . . A 26 PHE HD1 . 34143 1 282 . 1 1 26 26 PHE HD2 H 1 6.824 0.004 . . . . . A 26 PHE HD2 . 34143 1 283 . 1 1 26 26 PHE HE1 H 1 7.364 0.001 . . . . . A 26 PHE HE1 . 34143 1 284 . 1 1 26 26 PHE HE2 H 1 7.364 0.001 . . . . . A 26 PHE HE2 . 34143 1 285 . 1 1 26 26 PHE HZ H 1 6.768 0.001 . . . . . A 26 PHE HZ . 34143 1 286 . 1 1 26 26 PHE C C 13 173.562 0.002 . . . . . A 26 PHE C . 34143 1 287 . 1 1 26 26 PHE CA C 13 56.780 0.050 . . . . . A 26 PHE CA . 34143 1 288 . 1 1 26 26 PHE CB C 13 39.136 0.019 . . . . . A 26 PHE CB . 34143 1 289 . 1 1 26 26 PHE CD1 C 13 133.517 0.021 . . . . . A 26 PHE CD1 . 34143 1 290 . 1 1 26 26 PHE CE1 C 13 132.013 0.000 . . . . . A 26 PHE CE1 . 34143 1 291 . 1 1 26 26 PHE CZ C 13 128.649 0.000 . . . . . A 26 PHE CZ . 34143 1 292 . 1 1 26 26 PHE N N 15 116.130 0.021 . . . . . A 26 PHE N . 34143 1 293 . 1 1 27 27 ARG H H 1 9.457 0.006 . . . . . A 27 ARG H . 34143 1 294 . 1 1 27 27 ARG HA H 1 5.066 0.007 . . . . . A 27 ARG HA . 34143 1 295 . 1 1 27 27 ARG HB2 H 1 1.861 0.006 . . . . . A 27 ARG HB2 . 34143 1 296 . 1 1 27 27 ARG HB3 H 1 1.778 0.000 . . . . . A 27 ARG HB3 . 34143 1 297 . 1 1 27 27 ARG HG2 H 1 1.747 0.000 . . . . . A 27 ARG HG2 . 34143 1 298 . 1 1 27 27 ARG HG3 H 1 1.647 0.000 . . . . . A 27 ARG HG3 . 34143 1 299 . 1 1 27 27 ARG HD2 H 1 3.221 0.006 . . . . . A 27 ARG HD2 . 34143 1 300 . 1 1 27 27 ARG HD3 H 1 3.221 0.006 . . . . . A 27 ARG HD3 . 34143 1 301 . 1 1 27 27 ARG C C 13 175.575 0.007 . . . . . A 27 ARG C . 34143 1 302 . 1 1 27 27 ARG CA C 13 53.205 0.072 . . . . . A 27 ARG CA . 34143 1 303 . 1 1 27 27 ARG CB C 13 32.915 0.020 . . . . . A 27 ARG CB . 34143 1 304 . 1 1 27 27 ARG CG C 13 26.928 0.006 . . . . . A 27 ARG CG . 34143 1 305 . 1 1 27 27 ARG CD C 13 43.070 0.010 . . . . . A 27 ARG CD . 34143 1 306 . 1 1 27 27 ARG N N 15 121.109 0.029 . . . . . A 27 ARG N . 34143 1 307 . 1 1 28 28 LYS H H 1 9.119 0.004 . . . . . A 28 LYS H . 34143 1 308 . 1 1 28 28 LYS HA H 1 3.314 0.005 . . . . . A 28 LYS HA . 34143 1 309 . 1 1 28 28 LYS HB2 H 1 1.622 0.005 . . . . . A 28 LYS HB2 . 34143 1 310 . 1 1 28 28 LYS HB3 H 1 1.470 0.002 . . . . . A 28 LYS HB3 . 34143 1 311 . 1 1 28 28 LYS HG2 H 1 1.130 0.009 . . . . . A 28 LYS HG2 . 34143 1 312 . 1 1 28 28 LYS HG3 H 1 1.017 0.013 . . . . . A 28 LYS HG3 . 34143 1 313 . 1 1 28 28 LYS HD2 H 1 1.612 0.001 . . . . . A 28 LYS HD2 . 34143 1 314 . 1 1 28 28 LYS HD3 H 1 1.612 0.001 . . . . . A 28 LYS HD3 . 34143 1 315 . 1 1 28 28 LYS HE2 H 1 2.925 0.000 . . . . . A 28 LYS HE2 . 34143 1 316 . 1 1 28 28 LYS HE3 H 1 2.872 0.000 . . . . . A 28 LYS HE3 . 34143 1 317 . 1 1 28 28 LYS C C 13 177.115 0.004 . . . . . A 28 LYS C . 34143 1 318 . 1 1 28 28 LYS CA C 13 58.793 0.054 . . . . . A 28 LYS CA . 34143 1 319 . 1 1 28 28 LYS CB C 13 32.598 0.035 . . . . . A 28 LYS CB . 34143 1 320 . 1 1 28 28 LYS CG C 13 24.614 0.024 . . . . . A 28 LYS CG . 34143 1 321 . 1 1 28 28 LYS CD C 13 29.831 0.029 . . . . . A 28 LYS CD . 34143 1 322 . 1 1 28 28 LYS CE C 13 41.948 0.006 . . . . . A 28 LYS CE . 34143 1 323 . 1 1 28 28 LYS N N 15 122.075 0.032 . . . . . A 28 LYS N . 34143 1 324 . 1 1 29 29 GLY H H 1 8.931 0.005 . . . . . A 29 GLY H . 34143 1 325 . 1 1 29 29 GLY HA2 H 1 3.353 0.011 . . . . . A 29 GLY HA2 . 34143 1 326 . 1 1 29 29 GLY HA3 H 1 4.522 0.005 . . . . . A 29 GLY HA3 . 34143 1 327 . 1 1 29 29 GLY C C 13 174.168 0.009 . . . . . A 29 GLY C . 34143 1 328 . 1 1 29 29 GLY CA C 13 45.006 0.094 . . . . . A 29 GLY CA . 34143 1 329 . 1 1 29 29 GLY N N 15 115.566 0.024 . . . . . A 29 GLY N . 34143 1 330 . 1 1 30 30 ASP H H 1 8.490 0.005 . . . . . A 30 ASP H . 34143 1 331 . 1 1 30 30 ASP HA H 1 4.577 0.005 . . . . . A 30 ASP HA . 34143 1 332 . 1 1 30 30 ASP HB2 H 1 2.802 0.003 . . . . . A 30 ASP HB2 . 34143 1 333 . 1 1 30 30 ASP HB3 H 1 2.369 0.000 . . . . . A 30 ASP HB3 . 34143 1 334 . 1 1 30 30 ASP C C 13 174.957 0.007 . . . . . A 30 ASP C . 34143 1 335 . 1 1 30 30 ASP CA C 13 56.221 0.044 . . . . . A 30 ASP CA . 34143 1 336 . 1 1 30 30 ASP CB C 13 41.492 0.007 . . . . . A 30 ASP CB . 34143 1 337 . 1 1 30 30 ASP N N 15 122.653 0.038 . . . . . A 30 ASP N . 34143 1 338 . 1 1 31 31 ILE H H 1 8.150 0.001 . . . . . A 31 ILE H . 34143 1 339 . 1 1 31 31 ILE HA H 1 4.974 0.009 . . . . . A 31 ILE HA . 34143 1 340 . 1 1 31 31 ILE HB H 1 1.757 0.002 . . . . . A 31 ILE HB . 34143 1 341 . 1 1 31 31 ILE HG12 H 1 1.116 0.005 . . . . . A 31 ILE HG12 . 34143 1 342 . 1 1 31 31 ILE HG13 H 1 1.675 0.002 . . . . . A 31 ILE HG13 . 34143 1 343 . 1 1 31 31 ILE HG21 H 1 0.849 0.000 . . . . . A 31 ILE HG21 . 34143 1 344 . 1 1 31 31 ILE HG22 H 1 0.849 0.000 . . . . . A 31 ILE HG22 . 34143 1 345 . 1 1 31 31 ILE HG23 H 1 0.849 0.000 . . . . . A 31 ILE HG23 . 34143 1 346 . 1 1 31 31 ILE HD11 H 1 0.815 0.000 . . . . . A 31 ILE HD11 . 34143 1 347 . 1 1 31 31 ILE HD12 H 1 0.815 0.000 . . . . . A 31 ILE HD12 . 34143 1 348 . 1 1 31 31 ILE HD13 H 1 0.815 0.000 . . . . . A 31 ILE HD13 . 34143 1 349 . 1 1 31 31 ILE C C 13 175.237 0.004 . . . . . A 31 ILE C . 34143 1 350 . 1 1 31 31 ILE CA C 13 59.238 0.023 . . . . . A 31 ILE CA . 34143 1 351 . 1 1 31 31 ILE CB C 13 38.726 0.033 . . . . . A 31 ILE CB . 34143 1 352 . 1 1 31 31 ILE CG1 C 13 27.611 0.016 . . . . . A 31 ILE CG1 . 34143 1 353 . 1 1 31 31 ILE CG2 C 13 18.349 0.023 . . . . . A 31 ILE CG2 . 34143 1 354 . 1 1 31 31 ILE CD1 C 13 12.211 0.010 . . . . . A 31 ILE CD1 . 34143 1 355 . 1 1 31 31 ILE N N 15 120.356 0.012 . . . . . A 31 ILE N . 34143 1 356 . 1 1 32 32 MET H H 1 9.113 0.005 . . . . . A 32 MET H . 34143 1 357 . 1 1 32 32 MET HA H 1 4.956 0.006 . . . . . A 32 MET HA . 34143 1 358 . 1 1 32 32 MET HB2 H 1 1.915 0.002 . . . . . A 32 MET HB2 . 34143 1 359 . 1 1 32 32 MET HB3 H 1 1.753 0.000 . . . . . A 32 MET HB3 . 34143 1 360 . 1 1 32 32 MET HG2 H 1 2.027 0.004 . . . . . A 32 MET HG2 . 34143 1 361 . 1 1 32 32 MET HG3 H 1 1.940 0.000 . . . . . A 32 MET HG3 . 34143 1 362 . 1 1 32 32 MET HE1 H 1 0.875 0.001 . . . . . A 32 MET HE1 . 34143 1 363 . 1 1 32 32 MET HE2 H 1 0.875 0.001 . . . . . A 32 MET HE2 . 34143 1 364 . 1 1 32 32 MET HE3 H 1 0.875 0.001 . . . . . A 32 MET HE3 . 34143 1 365 . 1 1 32 32 MET C C 13 173.318 0.001 . . . . . A 32 MET C . 34143 1 366 . 1 1 32 32 MET CA C 13 53.297 0.055 . . . . . A 32 MET CA . 34143 1 367 . 1 1 32 32 MET CB C 13 38.561 0.059 . . . . . A 32 MET CB . 34143 1 368 . 1 1 32 32 MET CG C 13 30.460 0.089 . . . . . A 32 MET CG . 34143 1 369 . 1 1 32 32 MET CE C 13 16.638 0.000 . . . . . A 32 MET CE . 34143 1 370 . 1 1 32 32 MET N N 15 123.177 0.015 . . . . . A 32 MET N . 34143 1 371 . 1 1 33 33 THR H H 1 8.474 0.003 . . . . . A 33 THR H . 34143 1 372 . 1 1 33 33 THR HA H 1 4.685 0.009 . . . . . A 33 THR HA . 34143 1 373 . 1 1 33 33 THR HB H 1 3.971 0.004 . . . . . A 33 THR HB . 34143 1 374 . 1 1 33 33 THR HG21 H 1 1.041 0.001 . . . . . A 33 THR HG21 . 34143 1 375 . 1 1 33 33 THR HG22 H 1 1.041 0.001 . . . . . A 33 THR HG22 . 34143 1 376 . 1 1 33 33 THR HG23 H 1 1.041 0.001 . . . . . A 33 THR HG23 . 34143 1 377 . 1 1 33 33 THR C C 13 174.359 0.002 . . . . . A 33 THR C . 34143 1 378 . 1 1 33 33 THR CA C 13 62.538 0.112 . . . . . A 33 THR CA . 34143 1 379 . 1 1 33 33 THR CB C 13 69.873 0.115 . . . . . A 33 THR CB . 34143 1 380 . 1 1 33 33 THR CG2 C 13 21.980 0.009 . . . . . A 33 THR CG2 . 34143 1 381 . 1 1 33 33 THR N N 15 116.251 0.019 . . . . . A 33 THR N . 34143 1 382 . 1 1 34 34 VAL H H 1 9.683 0.003 . . . . . A 34 VAL H . 34143 1 383 . 1 1 34 34 VAL HA H 1 4.349 0.006 . . . . . A 34 VAL HA . 34143 1 384 . 1 1 34 34 VAL HB H 1 2.003 0.003 . . . . . A 34 VAL HB . 34143 1 385 . 1 1 34 34 VAL HG11 H 1 0.522 0.001 . . . . . A 34 VAL HG11 . 34143 1 386 . 1 1 34 34 VAL HG12 H 1 0.522 0.001 . . . . . A 34 VAL HG12 . 34143 1 387 . 1 1 34 34 VAL HG13 H 1 0.522 0.001 . . . . . A 34 VAL HG13 . 34143 1 388 . 1 1 34 34 VAL HG21 H 1 0.998 0.002 . . . . . A 34 VAL HG21 . 34143 1 389 . 1 1 34 34 VAL HG22 H 1 0.998 0.002 . . . . . A 34 VAL HG22 . 34143 1 390 . 1 1 34 34 VAL HG23 H 1 0.998 0.002 . . . . . A 34 VAL HG23 . 34143 1 391 . 1 1 34 34 VAL C C 13 174.900 0.001 . . . . . A 34 VAL C . 34143 1 392 . 1 1 34 34 VAL CA C 13 62.656 0.047 . . . . . A 34 VAL CA . 34143 1 393 . 1 1 34 34 VAL CB C 13 32.078 0.013 . . . . . A 34 VAL CB . 34143 1 394 . 1 1 34 34 VAL CG1 C 13 21.657 0.004 . . . . . A 34 VAL CG1 . 34143 1 395 . 1 1 34 34 VAL CG2 C 13 21.961 0.004 . . . . . A 34 VAL CG2 . 34143 1 396 . 1 1 34 34 VAL N N 15 128.242 0.023 . . . . . A 34 VAL N . 34143 1 397 . 1 1 35 35 LEU H H 1 9.264 0.004 . . . . . A 35 LEU H . 34143 1 398 . 1 1 35 35 LEU HA H 1 4.400 0.013 . . . . . A 35 LEU HA . 34143 1 399 . 1 1 35 35 LEU HB2 H 1 1.264 0.000 . . . . . A 35 LEU HB2 . 34143 1 400 . 1 1 35 35 LEU HB3 H 1 0.844 0.000 . . . . . A 35 LEU HB3 . 34143 1 401 . 1 1 35 35 LEU HG H 1 1.358 0.000 . . . . . A 35 LEU HG . 34143 1 402 . 1 1 35 35 LEU HD11 H 1 0.528 0.000 . . . . . A 35 LEU HD11 . 34143 1 403 . 1 1 35 35 LEU HD12 H 1 0.528 0.000 . . . . . A 35 LEU HD12 . 34143 1 404 . 1 1 35 35 LEU HD13 H 1 0.528 0.000 . . . . . A 35 LEU HD13 . 34143 1 405 . 1 1 35 35 LEU HD21 H 1 0.587 0.001 . . . . . A 35 LEU HD21 . 34143 1 406 . 1 1 35 35 LEU HD22 H 1 0.587 0.001 . . . . . A 35 LEU HD22 . 34143 1 407 . 1 1 35 35 LEU HD23 H 1 0.587 0.001 . . . . . A 35 LEU HD23 . 34143 1 408 . 1 1 35 35 LEU C C 13 177.417 0.010 . . . . . A 35 LEU C . 34143 1 409 . 1 1 35 35 LEU CA C 13 56.221 0.117 . . . . . A 35 LEU CA . 34143 1 410 . 1 1 35 35 LEU CB C 13 40.691 0.010 . . . . . A 35 LEU CB . 34143 1 411 . 1 1 35 35 LEU CG C 13 27.487 0.035 . . . . . A 35 LEU CG . 34143 1 412 . 1 1 35 35 LEU CD1 C 13 24.777 0.046 . . . . . A 35 LEU CD1 . 34143 1 413 . 1 1 35 35 LEU CD2 C 13 22.537 0.016 . . . . . A 35 LEU CD2 . 34143 1 414 . 1 1 35 35 LEU N N 15 127.600 0.017 . . . . . A 35 LEU N . 34143 1 415 . 1 1 36 36 GLU H H 1 7.834 0.004 . . . . . A 36 GLU H . 34143 1 416 . 1 1 36 36 GLU HA H 1 4.563 0.006 . . . . . A 36 GLU HA . 34143 1 417 . 1 1 36 36 GLU HB2 H 1 2.140 0.004 . . . . . A 36 GLU HB2 . 34143 1 418 . 1 1 36 36 GLU HB3 H 1 1.951 0.000 . . . . . A 36 GLU HB3 . 34143 1 419 . 1 1 36 36 GLU HG2 H 1 2.284 0.000 . . . . . A 36 GLU HG2 . 34143 1 420 . 1 1 36 36 GLU HG3 H 1 2.181 0.000 . . . . . A 36 GLU HG3 . 34143 1 421 . 1 1 36 36 GLU C C 13 174.969 0.001 . . . . . A 36 GLU C . 34143 1 422 . 1 1 36 36 GLU CA C 13 55.736 0.019 . . . . . A 36 GLU CA . 34143 1 423 . 1 1 36 36 GLU CB C 13 33.972 0.072 . . . . . A 36 GLU CB . 34143 1 424 . 1 1 36 36 GLU CG C 13 36.171 0.072 . . . . . A 36 GLU CG . 34143 1 425 . 1 1 36 36 GLU N N 15 115.035 0.018 . . . . . A 36 GLU N . 34143 1 426 . 1 1 37 37 ARG H H 1 8.686 0.002 . . . . . A 37 ARG H . 34143 1 427 . 1 1 37 37 ARG HA H 1 3.752 0.006 . . . . . A 37 ARG HA . 34143 1 428 . 1 1 37 37 ARG HB2 H 1 1.214 0.002 . . . . . A 37 ARG HB2 . 34143 1 429 . 1 1 37 37 ARG HB3 H 1 1.066 0.000 . . . . . A 37 ARG HB3 . 34143 1 430 . 1 1 37 37 ARG HG2 H 1 0.611 0.000 . . . . . A 37 ARG HG2 . 34143 1 431 . 1 1 37 37 ARG HG3 H 1 -0.495 0.000 . . . . . A 37 ARG HG3 . 34143 1 432 . 1 1 37 37 ARG HD2 H 1 2.517 0.000 . . . . . A 37 ARG HD2 . 34143 1 433 . 1 1 37 37 ARG HD3 H 1 2.444 0.000 . . . . . A 37 ARG HD3 . 34143 1 434 . 1 1 37 37 ARG C C 13 174.884 0.011 . . . . . A 37 ARG C . 34143 1 435 . 1 1 37 37 ARG CA C 13 55.707 0.032 . . . . . A 37 ARG CA . 34143 1 436 . 1 1 37 37 ARG CB C 13 31.683 0.046 . . . . . A 37 ARG CB . 34143 1 437 . 1 1 37 37 ARG CG C 13 26.766 0.050 . . . . . A 37 ARG CG . 34143 1 438 . 1 1 37 37 ARG CD C 13 43.288 0.052 . . . . . A 37 ARG CD . 34143 1 439 . 1 1 37 37 ARG N N 15 124.404 0.012 . . . . . A 37 ARG N . 34143 1 440 . 1 1 38 38 ASP H H 1 7.204 0.007 . . . . . A 38 ASP H . 34143 1 441 . 1 1 38 38 ASP HA H 1 5.139 0.005 . . . . . A 38 ASP HA . 34143 1 442 . 1 1 38 38 ASP HB2 H 1 2.811 0.008 . . . . . A 38 ASP HB2 . 34143 1 443 . 1 1 38 38 ASP HB3 H 1 2.649 0.006 . . . . . A 38 ASP HB3 . 34143 1 444 . 1 1 38 38 ASP C C 13 176.963 0.003 . . . . . A 38 ASP C . 34143 1 445 . 1 1 38 38 ASP CA C 13 55.532 0.059 . . . . . A 38 ASP CA . 34143 1 446 . 1 1 38 38 ASP CB C 13 38.799 0.038 . . . . . A 38 ASP CB . 34143 1 447 . 1 1 38 38 ASP N N 15 123.764 0.030 . . . . . A 38 ASP N . 34143 1 448 . 1 1 39 39 THR H H 1 7.757 0.005 . . . . . A 39 THR H . 34143 1 449 . 1 1 39 39 THR HA H 1 3.961 0.008 . . . . . A 39 THR HA . 34143 1 450 . 1 1 39 39 THR HB H 1 4.048 0.006 . . . . . A 39 THR HB . 34143 1 451 . 1 1 39 39 THR HG21 H 1 1.165 0.002 . . . . . A 39 THR HG21 . 34143 1 452 . 1 1 39 39 THR HG22 H 1 1.165 0.002 . . . . . A 39 THR HG22 . 34143 1 453 . 1 1 39 39 THR HG23 H 1 1.165 0.002 . . . . . A 39 THR HG23 . 34143 1 454 . 1 1 39 39 THR C C 13 174.260 0.001 . . . . . A 39 THR C . 34143 1 455 . 1 1 39 39 THR CA C 13 61.910 0.034 . . . . . A 39 THR CA . 34143 1 456 . 1 1 39 39 THR CB C 13 69.311 0.032 . . . . . A 39 THR CB . 34143 1 457 . 1 1 39 39 THR CG2 C 13 18.892 0.008 . . . . . A 39 THR CG2 . 34143 1 458 . 1 1 39 39 THR N N 15 113.548 0.020 . . . . . A 39 THR N . 34143 1 459 . 1 1 40 40 GLN H H 1 8.946 0.002 . . . . . A 40 GLN H . 34143 1 460 . 1 1 40 40 GLN HA H 1 3.871 0.006 . . . . . A 40 GLN HA . 34143 1 461 . 1 1 40 40 GLN HB2 H 1 2.147 0.001 . . . . . A 40 GLN HB2 . 34143 1 462 . 1 1 40 40 GLN HB3 H 1 2.318 0.000 . . . . . A 40 GLN HB3 . 34143 1 463 . 1 1 40 40 GLN HG2 H 1 2.451 0.000 . . . . . A 40 GLN HG2 . 34143 1 464 . 1 1 40 40 GLN HG3 H 1 2.326 0.000 . . . . . A 40 GLN HG3 . 34143 1 465 . 1 1 40 40 GLN HE21 H 1 7.640 0.000 . . . . . A 40 GLN HE21 . 34143 1 466 . 1 1 40 40 GLN HE22 H 1 6.822 0.000 . . . . . A 40 GLN HE22 . 34143 1 467 . 1 1 40 40 GLN C C 13 175.887 0.007 . . . . . A 40 GLN C . 34143 1 468 . 1 1 40 40 GLN CA C 13 56.890 0.062 . . . . . A 40 GLN CA . 34143 1 469 . 1 1 40 40 GLN CB C 13 27.292 0.060 . . . . . A 40 GLN CB . 34143 1 470 . 1 1 40 40 GLN CG C 13 34.416 0.027 . . . . . A 40 GLN CG . 34143 1 471 . 1 1 40 40 GLN N N 15 120.770 0.016 . . . . . A 40 GLN N . 34143 1 472 . 1 1 40 40 GLN NE2 N 15 112.370 0.001 . . . . . A 40 GLN NE2 . 34143 1 473 . 1 1 41 41 GLY H H 1 8.045 0.005 . . . . . A 41 GLY H . 34143 1 474 . 1 1 41 41 GLY HA2 H 1 4.108 0.006 . . . . . A 41 GLY HA2 . 34143 1 475 . 1 1 41 41 GLY HA3 H 1 3.771 0.005 . . . . . A 41 GLY HA3 . 34143 1 476 . 1 1 41 41 GLY C C 13 174.724 0.006 . . . . . A 41 GLY C . 34143 1 477 . 1 1 41 41 GLY CA C 13 45.720 0.048 . . . . . A 41 GLY CA . 34143 1 478 . 1 1 41 41 GLY N N 15 104.837 0.012 . . . . . A 41 GLY N . 34143 1 479 . 1 1 42 42 LEU H H 1 8.104 0.005 . . . . . A 42 LEU H . 34143 1 480 . 1 1 42 42 LEU HA H 1 4.421 0.005 . . . . . A 42 LEU HA . 34143 1 481 . 1 1 42 42 LEU HB2 H 1 2.498 0.002 . . . . . A 42 LEU HB2 . 34143 1 482 . 1 1 42 42 LEU HB3 H 1 1.292 0.002 . . . . . A 42 LEU HB3 . 34143 1 483 . 1 1 42 42 LEU HG H 1 1.667 0.003 . . . . . A 42 LEU HG . 34143 1 484 . 1 1 42 42 LEU HD11 H 1 0.605 0.003 . . . . . A 42 LEU HD11 . 34143 1 485 . 1 1 42 42 LEU HD12 H 1 0.605 0.003 . . . . . A 42 LEU HD12 . 34143 1 486 . 1 1 42 42 LEU HD13 H 1 0.605 0.003 . . . . . A 42 LEU HD13 . 34143 1 487 . 1 1 42 42 LEU HD21 H 1 0.736 0.003 . . . . . A 42 LEU HD21 . 34143 1 488 . 1 1 42 42 LEU HD22 H 1 0.736 0.003 . . . . . A 42 LEU HD22 . 34143 1 489 . 1 1 42 42 LEU HD23 H 1 0.736 0.003 . . . . . A 42 LEU HD23 . 34143 1 490 . 1 1 42 42 LEU C C 13 175.312 0.005 . . . . . A 42 LEU C . 34143 1 491 . 1 1 42 42 LEU CA C 13 53.102 0.061 . . . . . A 42 LEU CA . 34143 1 492 . 1 1 42 42 LEU CB C 13 40.494 0.042 . . . . . A 42 LEU CB . 34143 1 493 . 1 1 42 42 LEU CG C 13 25.780 0.013 . . . . . A 42 LEU CG . 34143 1 494 . 1 1 42 42 LEU CD1 C 13 24.604 0.037 . . . . . A 42 LEU CD1 . 34143 1 495 . 1 1 42 42 LEU CD2 C 13 23.117 0.029 . . . . . A 42 LEU CD2 . 34143 1 496 . 1 1 42 42 LEU N N 15 124.206 0.013 . . . . . A 42 LEU N . 34143 1 497 . 1 1 43 43 ASP H H 1 7.878 0.003 . . . . . A 43 ASP H . 34143 1 498 . 1 1 43 43 ASP HA H 1 4.252 0.007 . . . . . A 43 ASP HA . 34143 1 499 . 1 1 43 43 ASP HB2 H 1 2.621 0.007 . . . . . A 43 ASP HB2 . 34143 1 500 . 1 1 43 43 ASP HB3 H 1 2.621 0.007 . . . . . A 43 ASP HB3 . 34143 1 501 . 1 1 43 43 ASP C C 13 177.857 0.004 . . . . . A 43 ASP C . 34143 1 502 . 1 1 43 43 ASP CA C 13 56.502 0.038 . . . . . A 43 ASP CA . 34143 1 503 . 1 1 43 43 ASP CB C 13 41.168 0.015 . . . . . A 43 ASP CB . 34143 1 504 . 1 1 43 43 ASP N N 15 123.543 0.009 . . . . . A 43 ASP N . 34143 1 505 . 1 1 44 44 GLY H H 1 9.328 0.004 . . . . . A 44 GLY H . 34143 1 506 . 1 1 44 44 GLY HA2 H 1 3.802 0.006 . . . . . A 44 GLY HA2 . 34143 1 507 . 1 1 44 44 GLY HA3 H 1 4.210 0.006 . . . . . A 44 GLY HA3 . 34143 1 508 . 1 1 44 44 GLY C C 13 174.565 0.005 . . . . . A 44 GLY C . 34143 1 509 . 1 1 44 44 GLY CA C 13 45.440 0.038 . . . . . A 44 GLY CA . 34143 1 510 . 1 1 44 44 GLY N N 15 112.357 0.011 . . . . . A 44 GLY N . 34143 1 511 . 1 1 45 45 TRP H H 1 8.608 0.004 . . . . . A 45 TRP H . 34143 1 512 . 1 1 45 45 TRP HA H 1 5.078 0.004 . . . . . A 45 TRP HA . 34143 1 513 . 1 1 45 45 TRP HB2 H 1 3.483 0.006 . . . . . A 45 TRP HB2 . 34143 1 514 . 1 1 45 45 TRP HB3 H 1 2.955 0.006 . . . . . A 45 TRP HB3 . 34143 1 515 . 1 1 45 45 TRP HD1 H 1 6.914 0.011 . . . . . A 45 TRP HD1 . 34143 1 516 . 1 1 45 45 TRP HE1 H 1 9.097 0.006 . . . . . A 45 TRP HE1 . 34143 1 517 . 1 1 45 45 TRP HE3 H 1 7.271 0.002 . . . . . A 45 TRP HE3 . 34143 1 518 . 1 1 45 45 TRP HZ2 H 1 7.418 0.001 . . . . . A 45 TRP HZ2 . 34143 1 519 . 1 1 45 45 TRP HZ3 H 1 6.821 0.001 . . . . . A 45 TRP HZ3 . 34143 1 520 . 1 1 45 45 TRP HH2 H 1 7.160 0.004 . . . . . A 45 TRP HH2 . 34143 1 521 . 1 1 45 45 TRP C C 13 175.735 0.003 . . . . . A 45 TRP C . 34143 1 522 . 1 1 45 45 TRP CA C 13 56.847 0.094 . . . . . A 45 TRP CA . 34143 1 523 . 1 1 45 45 TRP CB C 13 30.080 0.033 . . . . . A 45 TRP CB . 34143 1 524 . 1 1 45 45 TRP CD1 C 13 126.288 0.000 . . . . . A 45 TRP CD1 . 34143 1 525 . 1 1 45 45 TRP CE3 C 13 120.020 0.011 . . . . . A 45 TRP CE3 . 34143 1 526 . 1 1 45 45 TRP CZ2 C 13 114.740 0.000 . . . . . A 45 TRP CZ2 . 34143 1 527 . 1 1 45 45 TRP CZ3 C 13 120.232 0.017 . . . . . A 45 TRP CZ3 . 34143 1 528 . 1 1 45 45 TRP CH2 C 13 124.493 0.000 . . . . . A 45 TRP CH2 . 34143 1 529 . 1 1 45 45 TRP N N 15 123.108 0.010 . . . . . A 45 TRP N . 34143 1 530 . 1 1 45 45 TRP NE1 N 15 129.707 0.000 . . . . . A 45 TRP NE1 . 34143 1 531 . 1 1 46 46 TRP H H 1 10.148 0.004 . . . . . A 46 TRP H . 34143 1 532 . 1 1 46 46 TRP HA H 1 5.705 0.005 . . . . . A 46 TRP HA . 34143 1 533 . 1 1 46 46 TRP HB2 H 1 3.084 0.000 . . . . . A 46 TRP HB2 . 34143 1 534 . 1 1 46 46 TRP HB3 H 1 3.152 0.004 . . . . . A 46 TRP HB3 . 34143 1 535 . 1 1 46 46 TRP HD1 H 1 6.867 0.004 . . . . . A 46 TRP HD1 . 34143 1 536 . 1 1 46 46 TRP HE1 H 1 10.892 0.000 . . . . . A 46 TRP HE1 . 34143 1 537 . 1 1 46 46 TRP HE3 H 1 7.083 0.001 . . . . . A 46 TRP HE3 . 34143 1 538 . 1 1 46 46 TRP HZ2 H 1 7.376 0.016 . . . . . A 46 TRP HZ2 . 34143 1 539 . 1 1 46 46 TRP HZ3 H 1 6.622 0.001 . . . . . A 46 TRP HZ3 . 34143 1 540 . 1 1 46 46 TRP HH2 H 1 7.158 0.009 . . . . . A 46 TRP HH2 . 34143 1 541 . 1 1 46 46 TRP C C 13 175.387 0.006 . . . . . A 46 TRP C . 34143 1 542 . 1 1 46 46 TRP CA C 13 53.397 0.044 . . . . . A 46 TRP CA . 34143 1 543 . 1 1 46 46 TRP CB C 13 31.272 0.027 . . . . . A 46 TRP CB . 34143 1 544 . 1 1 46 46 TRP CD1 C 13 120.338 0.000 . . . . . A 46 TRP CD1 . 34143 1 545 . 1 1 46 46 TRP CE3 C 13 121.665 0.028 . . . . . A 46 TRP CE3 . 34143 1 546 . 1 1 46 46 TRP CZ2 C 13 114.112 0.000 . . . . . A 46 TRP CZ2 . 34143 1 547 . 1 1 46 46 TRP CZ3 C 13 121.328 0.000 . . . . . A 46 TRP CZ3 . 34143 1 548 . 1 1 46 46 TRP CH2 C 13 125.776 0.037 . . . . . A 46 TRP CH2 . 34143 1 549 . 1 1 46 46 TRP N N 15 125.802 0.009 . . . . . A 46 TRP N . 34143 1 550 . 1 1 46 46 TRP NE1 N 15 128.631 0.032 . . . . . A 46 TRP NE1 . 34143 1 551 . 1 1 47 47 LEU H H 1 9.466 0.003 . . . . . A 47 LEU H . 34143 1 552 . 1 1 47 47 LEU HA H 1 5.037 0.006 . . . . . A 47 LEU HA . 34143 1 553 . 1 1 47 47 LEU HB2 H 1 1.586 0.002 . . . . . A 47 LEU HB2 . 34143 1 554 . 1 1 47 47 LEU HB3 H 1 1.979 0.007 . . . . . A 47 LEU HB3 . 34143 1 555 . 1 1 47 47 LEU HG H 1 1.371 0.000 . . . . . A 47 LEU HG . 34143 1 556 . 1 1 47 47 LEU HD11 H 1 0.813 0.000 . . . . . A 47 LEU HD11 . 34143 1 557 . 1 1 47 47 LEU HD12 H 1 0.813 0.000 . . . . . A 47 LEU HD12 . 34143 1 558 . 1 1 47 47 LEU HD13 H 1 0.813 0.000 . . . . . A 47 LEU HD13 . 34143 1 559 . 1 1 47 47 LEU HD21 H 1 0.948 0.003 . . . . . A 47 LEU HD21 . 34143 1 560 . 1 1 47 47 LEU HD22 H 1 0.948 0.003 . . . . . A 47 LEU HD22 . 34143 1 561 . 1 1 47 47 LEU HD23 H 1 0.948 0.003 . . . . . A 47 LEU HD23 . 34143 1 562 . 1 1 47 47 LEU C C 13 176.310 0.010 . . . . . A 47 LEU C . 34143 1 563 . 1 1 47 47 LEU CA C 13 54.707 0.050 . . . . . A 47 LEU CA . 34143 1 564 . 1 1 47 47 LEU CB C 13 43.749 0.038 . . . . . A 47 LEU CB . 34143 1 565 . 1 1 47 47 LEU CG C 13 27.571 0.000 . . . . . A 47 LEU CG . 34143 1 566 . 1 1 47 47 LEU CD1 C 13 25.679 0.073 . . . . . A 47 LEU CD1 . 34143 1 567 . 1 1 47 47 LEU CD2 C 13 22.357 0.023 . . . . . A 47 LEU CD2 . 34143 1 568 . 1 1 47 47 LEU N N 15 125.102 0.014 . . . . . A 47 LEU N . 34143 1 569 . 1 1 48 48 CYS H H 1 9.395 0.005 . . . . . A 48 CYS H . 34143 1 570 . 1 1 48 48 CYS HA H 1 5.580 0.006 . . . . . A 48 CYS HA . 34143 1 571 . 1 1 48 48 CYS HB2 H 1 2.634 0.000 . . . . . A 48 CYS HB2 . 34143 1 572 . 1 1 48 48 CYS HB3 H 1 2.675 0.001 . . . . . A 48 CYS HB3 . 34143 1 573 . 1 1 48 48 CYS HG H 1 1.705 0.000 . . . . . A 48 CYS HG . 34143 1 574 . 1 1 48 48 CYS C C 13 172.009 0.005 . . . . . A 48 CYS C . 34143 1 575 . 1 1 48 48 CYS CA C 13 57.201 0.038 . . . . . A 48 CYS CA . 34143 1 576 . 1 1 48 48 CYS CB C 13 34.577 0.015 . . . . . A 48 CYS CB . 34143 1 577 . 1 1 48 48 CYS N N 15 125.054 0.026 . . . . . A 48 CYS N . 34143 1 578 . 1 1 49 49 SER H H 1 8.986 0.004 . . . . . A 49 SER H . 34143 1 579 . 1 1 49 49 SER HA H 1 5.351 0.006 . . . . . A 49 SER HA . 34143 1 580 . 1 1 49 49 SER HB2 H 1 3.502 0.006 . . . . . A 49 SER HB2 . 34143 1 581 . 1 1 49 49 SER HB3 H 1 3.613 0.006 . . . . . A 49 SER HB3 . 34143 1 582 . 1 1 49 49 SER C C 13 173.614 0.009 . . . . . A 49 SER C . 34143 1 583 . 1 1 49 49 SER CA C 13 56.022 0.036 . . . . . A 49 SER CA . 34143 1 584 . 1 1 49 49 SER CB C 13 64.841 0.028 . . . . . A 49 SER CB . 34143 1 585 . 1 1 49 49 SER N N 15 112.715 0.017 . . . . . A 49 SER N . 34143 1 586 . 1 1 50 50 LEU H H 1 9.047 0.005 . . . . . A 50 LEU H . 34143 1 587 . 1 1 50 50 LEU HA H 1 4.688 0.000 . . . . . A 50 LEU HA . 34143 1 588 . 1 1 50 50 LEU HB2 H 1 1.260 0.001 . . . . . A 50 LEU HB2 . 34143 1 589 . 1 1 50 50 LEU HB3 H 1 1.849 0.000 . . . . . A 50 LEU HB3 . 34143 1 590 . 1 1 50 50 LEU HG H 1 1.251 0.000 . . . . . A 50 LEU HG . 34143 1 591 . 1 1 50 50 LEU HD11 H 1 1.051 0.000 . . . . . A 50 LEU HD11 . 34143 1 592 . 1 1 50 50 LEU HD12 H 1 1.051 0.000 . . . . . A 50 LEU HD12 . 34143 1 593 . 1 1 50 50 LEU HD13 H 1 1.051 0.000 . . . . . A 50 LEU HD13 . 34143 1 594 . 1 1 50 50 LEU HD21 H 1 0.646 0.001 . . . . . A 50 LEU HD21 . 34143 1 595 . 1 1 50 50 LEU HD22 H 1 0.646 0.001 . . . . . A 50 LEU HD22 . 34143 1 596 . 1 1 50 50 LEU HD23 H 1 0.646 0.001 . . . . . A 50 LEU HD23 . 34143 1 597 . 1 1 50 50 LEU C C 13 175.797 0.000 . . . . . A 50 LEU C . 34143 1 598 . 1 1 50 50 LEU CA C 13 54.046 0.053 . . . . . A 50 LEU CA . 34143 1 599 . 1 1 50 50 LEU CB C 13 45.614 0.011 . . . . . A 50 LEU CB . 34143 1 600 . 1 1 50 50 LEU CG C 13 27.648 0.000 . . . . . A 50 LEU CG . 34143 1 601 . 1 1 50 50 LEU CD1 C 13 27.430 0.000 . . . . . A 50 LEU CD1 . 34143 1 602 . 1 1 50 50 LEU CD2 C 13 23.092 0.011 . . . . . A 50 LEU CD2 . 34143 1 603 . 1 1 50 50 LEU N N 15 129.261 0.024 . . . . . A 50 LEU N . 34143 1 604 . 1 1 51 51 HIS H H 1 9.539 0.007 . . . . . A 51 HIS H . 34143 1 605 . 1 1 51 51 HIS HA H 1 4.468 0.004 . . . . . A 51 HIS HA . 34143 1 606 . 1 1 51 51 HIS HB2 H 1 3.319 0.001 . . . . . A 51 HIS HB2 . 34143 1 607 . 1 1 51 51 HIS HB3 H 1 3.319 0.001 . . . . . A 51 HIS HB3 . 34143 1 608 . 1 1 51 51 HIS HD2 H 1 7.097 0.003 . . . . . A 51 HIS HD2 . 34143 1 609 . 1 1 51 51 HIS HE1 H 1 7.962 0.000 . . . . . A 51 HIS HE1 . 34143 1 610 . 1 1 51 51 HIS C C 13 175.809 0.005 . . . . . A 51 HIS C . 34143 1 611 . 1 1 51 51 HIS CA C 13 56.530 0.105 . . . . . A 51 HIS CA . 34143 1 612 . 1 1 51 51 HIS CB C 13 28.557 0.031 . . . . . A 51 HIS CB . 34143 1 613 . 1 1 51 51 HIS CD2 C 13 119.400 0.021 . . . . . A 51 HIS CD2 . 34143 1 614 . 1 1 51 51 HIS N N 15 126.252 0.000 . . . . . A 51 HIS N . 34143 1 615 . 1 1 52 52 GLY H H 1 8.598 0.003 . . . . . A 52 GLY H . 34143 1 616 . 1 1 52 52 GLY HA2 H 1 4.243 0.008 . . . . . A 52 GLY HA2 . 34143 1 617 . 1 1 52 52 GLY HA3 H 1 3.559 0.006 . . . . . A 52 GLY HA3 . 34143 1 618 . 1 1 52 52 GLY C C 13 173.571 0.001 . . . . . A 52 GLY C . 34143 1 619 . 1 1 52 52 GLY CA C 13 45.481 0.039 . . . . . A 52 GLY CA . 34143 1 620 . 1 1 52 52 GLY N N 15 104.343 0.018 . . . . . A 52 GLY N . 34143 1 621 . 1 1 53 53 ARG H H 1 7.907 0.005 . . . . . A 53 ARG H . 34143 1 622 . 1 1 53 53 ARG HA H 1 4.637 0.005 . . . . . A 53 ARG HA . 34143 1 623 . 1 1 53 53 ARG HB2 H 1 1.871 0.000 . . . . . A 53 ARG HB2 . 34143 1 624 . 1 1 53 53 ARG HB3 H 1 1.936 0.002 . . . . . A 53 ARG HB3 . 34143 1 625 . 1 1 53 53 ARG HG2 H 1 1.726 0.002 . . . . . A 53 ARG HG2 . 34143 1 626 . 1 1 53 53 ARG HG3 H 1 1.586 0.011 . . . . . A 53 ARG HG3 . 34143 1 627 . 1 1 53 53 ARG HD2 H 1 3.298 0.003 . . . . . A 53 ARG HD2 . 34143 1 628 . 1 1 53 53 ARG HD3 H 1 3.263 0.004 . . . . . A 53 ARG HD3 . 34143 1 629 . 1 1 53 53 ARG C C 13 174.431 0.000 . . . . . A 53 ARG C . 34143 1 630 . 1 1 53 53 ARG CA C 13 54.874 0.052 . . . . . A 53 ARG CA . 34143 1 631 . 1 1 53 53 ARG CB C 13 32.093 0.012 . . . . . A 53 ARG CB . 34143 1 632 . 1 1 53 53 ARG CG C 13 27.596 0.000 . . . . . A 53 ARG CG . 34143 1 633 . 1 1 53 53 ARG CD C 13 43.611 0.030 . . . . . A 53 ARG CD . 34143 1 634 . 1 1 53 53 ARG N N 15 122.016 0.015 . . . . . A 53 ARG N . 34143 1 635 . 1 1 54 54 GLN H H 1 8.566 0.002 . . . . . A 54 GLN H . 34143 1 636 . 1 1 54 54 GLN HA H 1 5.662 0.005 . . . . . A 54 GLN HA . 34143 1 637 . 1 1 54 54 GLN HB2 H 1 1.964 0.000 . . . . . A 54 GLN HB2 . 34143 1 638 . 1 1 54 54 GLN HB3 H 1 1.914 0.000 . . . . . A 54 GLN HB3 . 34143 1 639 . 1 1 54 54 GLN HG2 H 1 2.292 0.004 . . . . . A 54 GLN HG2 . 34143 1 640 . 1 1 54 54 GLN HG3 H 1 2.137 0.003 . . . . . A 54 GLN HG3 . 34143 1 641 . 1 1 54 54 GLN HE21 H 1 7.439 0.000 . . . . . A 54 GLN HE21 . 34143 1 642 . 1 1 54 54 GLN HE22 H 1 6.705 0.000 . . . . . A 54 GLN HE22 . 34143 1 643 . 1 1 54 54 GLN C C 13 176.466 0.001 . . . . . A 54 GLN C . 34143 1 644 . 1 1 54 54 GLN CA C 13 54.198 0.022 . . . . . A 54 GLN CA . 34143 1 645 . 1 1 54 54 GLN CB C 13 31.288 0.072 . . . . . A 54 GLN CB . 34143 1 646 . 1 1 54 54 GLN CG C 13 34.719 0.026 . . . . . A 54 GLN CG . 34143 1 647 . 1 1 54 54 GLN N N 15 122.076 0.015 . . . . . A 54 GLN N . 34143 1 648 . 1 1 54 54 GLN NE2 N 15 110.495 0.001 . . . . . A 54 GLN NE2 . 34143 1 649 . 1 1 55 55 GLY H H 1 8.808 0.005 . . . . . A 55 GLY H . 34143 1 650 . 1 1 55 55 GLY HA2 H 1 4.368 0.005 . . . . . A 55 GLY HA2 . 34143 1 651 . 1 1 55 55 GLY HA3 H 1 4.115 0.005 . . . . . A 55 GLY HA3 . 34143 1 652 . 1 1 55 55 GLY C C 13 171.676 0.001 . . . . . A 55 GLY C . 34143 1 653 . 1 1 55 55 GLY CA C 13 45.509 0.066 . . . . . A 55 GLY CA . 34143 1 654 . 1 1 55 55 GLY N N 15 110.257 0.007 . . . . . A 55 GLY N . 34143 1 655 . 1 1 56 56 ILE H H 1 8.667 0.005 . . . . . A 56 ILE H . 34143 1 656 . 1 1 56 56 ILE HA H 1 5.870 0.006 . . . . . A 56 ILE HA . 34143 1 657 . 1 1 56 56 ILE HB H 1 2.023 0.000 . . . . . A 56 ILE HB . 34143 1 658 . 1 1 56 56 ILE HG12 H 1 1.308 0.002 . . . . . A 56 ILE HG12 . 34143 1 659 . 1 1 56 56 ILE HG13 H 1 0.603 0.000 . . . . . A 56 ILE HG13 . 34143 1 660 . 1 1 56 56 ILE HG21 H 1 0.844 0.000 . . . . . A 56 ILE HG21 . 34143 1 661 . 1 1 56 56 ILE HG22 H 1 0.844 0.000 . . . . . A 56 ILE HG22 . 34143 1 662 . 1 1 56 56 ILE HG23 H 1 0.844 0.000 . . . . . A 56 ILE HG23 . 34143 1 663 . 1 1 56 56 ILE HD11 H 1 -0.002 0.002 . . . . . A 56 ILE HD11 . 34143 1 664 . 1 1 56 56 ILE HD12 H 1 -0.002 0.002 . . . . . A 56 ILE HD12 . 34143 1 665 . 1 1 56 56 ILE HD13 H 1 -0.002 0.002 . . . . . A 56 ILE HD13 . 34143 1 666 . 1 1 56 56 ILE C C 13 176.531 0.002 . . . . . A 56 ILE C . 34143 1 667 . 1 1 56 56 ILE CA C 13 60.755 0.043 . . . . . A 56 ILE CA . 34143 1 668 . 1 1 56 56 ILE CB C 13 40.591 0.042 . . . . . A 56 ILE CB . 34143 1 669 . 1 1 56 56 ILE CG1 C 13 25.435 0.026 . . . . . A 56 ILE CG1 . 34143 1 670 . 1 1 56 56 ILE CG2 C 13 18.625 0.012 . . . . . A 56 ILE CG2 . 34143 1 671 . 1 1 56 56 ILE CD1 C 13 12.936 0.036 . . . . . A 56 ILE CD1 . 34143 1 672 . 1 1 56 56 ILE N N 15 113.609 0.024 . . . . . A 56 ILE N . 34143 1 673 . 1 1 57 57 VAL H H 1 9.423 0.005 . . . . . A 57 VAL H . 34143 1 674 . 1 1 57 57 VAL HA H 1 5.218 0.002 . . . . . A 57 VAL HA . 34143 1 675 . 1 1 57 57 VAL HB H 1 2.181 0.005 . . . . . A 57 VAL HB . 34143 1 676 . 1 1 57 57 VAL HG11 H 1 1.069 0.003 . . . . . A 57 VAL HG11 . 34143 1 677 . 1 1 57 57 VAL HG12 H 1 1.069 0.003 . . . . . A 57 VAL HG12 . 34143 1 678 . 1 1 57 57 VAL HG13 H 1 1.069 0.003 . . . . . A 57 VAL HG13 . 34143 1 679 . 1 1 57 57 VAL HG21 H 1 1.069 0.003 . . . . . A 57 VAL HG21 . 34143 1 680 . 1 1 57 57 VAL HG22 H 1 1.069 0.003 . . . . . A 57 VAL HG22 . 34143 1 681 . 1 1 57 57 VAL HG23 H 1 1.069 0.003 . . . . . A 57 VAL HG23 . 34143 1 682 . 1 1 57 57 VAL C C 13 173.358 0.000 . . . . . A 57 VAL C . 34143 1 683 . 1 1 57 57 VAL CA C 13 58.529 0.031 . . . . . A 57 VAL CA . 34143 1 684 . 1 1 57 57 VAL CB C 13 37.535 0.016 . . . . . A 57 VAL CB . 34143 1 685 . 1 1 57 57 VAL CG1 C 13 23.673 0.024 . . . . . A 57 VAL CG1 . 34143 1 686 . 1 1 57 57 VAL N N 15 116.910 0.019 . . . . . A 57 VAL N . 34143 1 687 . 1 1 58 58 PRO HA H 1 3.610 0.004 . . . . . A 58 PRO HA . 34143 1 688 . 1 1 58 58 PRO HB2 H 1 1.804 0.008 . . . . . A 58 PRO HB2 . 34143 1 689 . 1 1 58 58 PRO HB3 H 1 1.215 0.005 . . . . . A 58 PRO HB3 . 34143 1 690 . 1 1 58 58 PRO HG2 H 1 1.519 0.004 . . . . . A 58 PRO HG2 . 34143 1 691 . 1 1 58 58 PRO HG3 H 1 1.946 0.004 . . . . . A 58 PRO HG3 . 34143 1 692 . 1 1 58 58 PRO HD2 H 1 3.529 0.006 . . . . . A 58 PRO HD2 . 34143 1 693 . 1 1 58 58 PRO HD3 H 1 4.200 0.007 . . . . . A 58 PRO HD3 . 34143 1 694 . 1 1 58 58 PRO C C 13 176.766 0.002 . . . . . A 58 PRO C . 34143 1 695 . 1 1 58 58 PRO CA C 13 61.389 0.041 . . . . . A 58 PRO CA . 34143 1 696 . 1 1 58 58 PRO CB C 13 30.966 0.025 . . . . . A 58 PRO CB . 34143 1 697 . 1 1 58 58 PRO CG C 13 27.960 0.046 . . . . . A 58 PRO CG . 34143 1 698 . 1 1 58 58 PRO CD C 13 51.107 0.035 . . . . . A 58 PRO CD . 34143 1 699 . 1 1 59 59 GLY H H 1 7.970 0.005 . . . . . A 59 GLY H . 34143 1 700 . 1 1 59 59 GLY HA2 H 1 1.772 0.010 . . . . . A 59 GLY HA2 . 34143 1 701 . 1 1 59 59 GLY HA3 H 1 1.699 0.001 . . . . . A 59 GLY HA3 . 34143 1 702 . 1 1 59 59 GLY C C 13 173.508 0.015 . . . . . A 59 GLY C . 34143 1 703 . 1 1 59 59 GLY CA C 13 45.423 0.013 . . . . . A 59 GLY CA . 34143 1 704 . 1 1 59 59 GLY N N 15 116.774 0.022 . . . . . A 59 GLY N . 34143 1 705 . 1 1 60 60 ASN H H 1 7.822 0.004 . . . . . A 60 ASN H . 34143 1 706 . 1 1 60 60 ASN HA H 1 4.291 0.008 . . . . . A 60 ASN HA . 34143 1 707 . 1 1 60 60 ASN HB2 H 1 3.078 0.013 . . . . . A 60 ASN HB2 . 34143 1 708 . 1 1 60 60 ASN HB3 H 1 2.662 0.008 . . . . . A 60 ASN HB3 . 34143 1 709 . 1 1 60 60 ASN HD21 H 1 7.498 0.000 . . . . . A 60 ASN HD21 . 34143 1 710 . 1 1 60 60 ASN HD22 H 1 6.199 0.000 . . . . . A 60 ASN HD22 . 34143 1 711 . 1 1 60 60 ASN C C 13 176.081 0.004 . . . . . A 60 ASN C . 34143 1 712 . 1 1 60 60 ASN CA C 13 52.782 0.028 . . . . . A 60 ASN CA . 34143 1 713 . 1 1 60 60 ASN CB C 13 35.880 0.021 . . . . . A 60 ASN CB . 34143 1 714 . 1 1 60 60 ASN N N 15 114.989 0.043 . . . . . A 60 ASN N . 34143 1 715 . 1 1 60 60 ASN ND2 N 15 106.511 0.000 . . . . . A 60 ASN ND2 . 34143 1 716 . 1 1 61 61 ARG H H 1 7.528 0.004 . . . . . A 61 ARG H . 34143 1 717 . 1 1 61 61 ARG HA H 1 4.735 0.012 . . . . . A 61 ARG HA . 34143 1 718 . 1 1 61 61 ARG HB2 H 1 2.397 0.000 . . . . . A 61 ARG HB2 . 34143 1 719 . 1 1 61 61 ARG HB3 H 1 1.825 0.000 . . . . . A 61 ARG HB3 . 34143 1 720 . 1 1 61 61 ARG HG2 H 1 1.216 0.001 . . . . . A 61 ARG HG2 . 34143 1 721 . 1 1 61 61 ARG HG3 H 1 1.836 0.000 . . . . . A 61 ARG HG3 . 34143 1 722 . 1 1 61 61 ARG HD2 H 1 2.834 0.005 . . . . . A 61 ARG HD2 . 34143 1 723 . 1 1 61 61 ARG HD3 H 1 3.056 0.007 . . . . . A 61 ARG HD3 . 34143 1 724 . 1 1 61 61 ARG HE H 1 8.535 0.000 . . . . . A 61 ARG HE . 34143 1 725 . 1 1 61 61 ARG C C 13 173.577 0.007 . . . . . A 61 ARG C . 34143 1 726 . 1 1 61 61 ARG CA C 13 56.132 0.021 . . . . . A 61 ARG CA . 34143 1 727 . 1 1 61 61 ARG CB C 13 29.927 0.019 . . . . . A 61 ARG CB . 34143 1 728 . 1 1 61 61 ARG CG C 13 29.953 0.010 . . . . . A 61 ARG CG . 34143 1 729 . 1 1 61 61 ARG CD C 13 44.026 0.041 . . . . . A 61 ARG CD . 34143 1 730 . 1 1 61 61 ARG N N 15 115.207 0.019 . . . . . A 61 ARG N . 34143 1 731 . 1 1 61 61 ARG NE N 15 86.683 0.000 . . . . . A 61 ARG NE . 34143 1 732 . 1 1 62 62 LEU H H 1 7.546 0.006 . . . . . A 62 LEU H . 34143 1 733 . 1 1 62 62 LEU HA H 1 4.971 0.007 . . . . . A 62 LEU HA . 34143 1 734 . 1 1 62 62 LEU HB2 H 1 1.460 0.001 . . . . . A 62 LEU HB2 . 34143 1 735 . 1 1 62 62 LEU HB3 H 1 0.986 0.001 . . . . . A 62 LEU HB3 . 34143 1 736 . 1 1 62 62 LEU HG H 1 1.165 0.005 . . . . . A 62 LEU HG . 34143 1 737 . 1 1 62 62 LEU HD11 H 1 0.546 0.000 . . . . . A 62 LEU HD11 . 34143 1 738 . 1 1 62 62 LEU HD12 H 1 0.546 0.000 . . . . . A 62 LEU HD12 . 34143 1 739 . 1 1 62 62 LEU HD13 H 1 0.546 0.000 . . . . . A 62 LEU HD13 . 34143 1 740 . 1 1 62 62 LEU HD21 H 1 0.412 0.002 . . . . . A 62 LEU HD21 . 34143 1 741 . 1 1 62 62 LEU HD22 H 1 0.412 0.002 . . . . . A 62 LEU HD22 . 34143 1 742 . 1 1 62 62 LEU HD23 H 1 0.412 0.002 . . . . . A 62 LEU HD23 . 34143 1 743 . 1 1 62 62 LEU C C 13 175.754 0.010 . . . . . A 62 LEU C . 34143 1 744 . 1 1 62 62 LEU CA C 13 53.635 0.041 . . . . . A 62 LEU CA . 34143 1 745 . 1 1 62 62 LEU CB C 13 46.626 0.061 . . . . . A 62 LEU CB . 34143 1 746 . 1 1 62 62 LEU CG C 13 27.701 0.105 . . . . . A 62 LEU CG . 34143 1 747 . 1 1 62 62 LEU CD1 C 13 25.928 0.016 . . . . . A 62 LEU CD1 . 34143 1 748 . 1 1 62 62 LEU CD2 C 13 23.715 0.036 . . . . . A 62 LEU CD2 . 34143 1 749 . 1 1 62 62 LEU N N 15 119.997 0.012 . . . . . A 62 LEU N . 34143 1 750 . 1 1 63 63 LYS H H 1 8.593 0.006 . . . . . A 63 LYS H . 34143 1 751 . 1 1 63 63 LYS HA H 1 4.710 0.008 . . . . . A 63 LYS HA . 34143 1 752 . 1 1 63 63 LYS HB2 H 1 1.723 0.000 . . . . . A 63 LYS HB2 . 34143 1 753 . 1 1 63 63 LYS HB3 H 1 1.620 0.000 . . . . . A 63 LYS HB3 . 34143 1 754 . 1 1 63 63 LYS HG2 H 1 1.405 0.000 . . . . . A 63 LYS HG2 . 34143 1 755 . 1 1 63 63 LYS HG3 H 1 1.321 0.000 . . . . . A 63 LYS HG3 . 34143 1 756 . 1 1 63 63 LYS HD2 H 1 1.729 0.000 . . . . . A 63 LYS HD2 . 34143 1 757 . 1 1 63 63 LYS HD3 H 1 1.616 0.000 . . . . . A 63 LYS HD3 . 34143 1 758 . 1 1 63 63 LYS HE2 H 1 2.964 0.000 . . . . . A 63 LYS HE2 . 34143 1 759 . 1 1 63 63 LYS HE3 H 1 2.964 0.000 . . . . . A 63 LYS HE3 . 34143 1 760 . 1 1 63 63 LYS C C 13 175.986 0.002 . . . . . A 63 LYS C . 34143 1 761 . 1 1 63 63 LYS CA C 13 54.496 0.032 . . . . . A 63 LYS CA . 34143 1 762 . 1 1 63 63 LYS CB C 13 36.252 0.035 . . . . . A 63 LYS CB . 34143 1 763 . 1 1 63 63 LYS CG C 13 24.641 0.018 . . . . . A 63 LYS CG . 34143 1 764 . 1 1 63 63 LYS CD C 13 29.716 0.055 . . . . . A 63 LYS CD . 34143 1 765 . 1 1 63 63 LYS CE C 13 42.403 0.016 . . . . . A 63 LYS CE . 34143 1 766 . 1 1 63 63 LYS N N 15 119.305 0.022 . . . . . A 63 LYS N . 34143 1 767 . 1 1 64 64 ILE H H 1 8.938 0.003 . . . . . A 64 ILE H . 34143 1 768 . 1 1 64 64 ILE HA H 1 4.121 0.006 . . . . . A 64 ILE HA . 34143 1 769 . 1 1 64 64 ILE HB H 1 1.853 0.001 . . . . . A 64 ILE HB . 34143 1 770 . 1 1 64 64 ILE HG12 H 1 1.175 0.000 . . . . . A 64 ILE HG12 . 34143 1 771 . 1 1 64 64 ILE HG13 H 1 1.823 0.000 . . . . . A 64 ILE HG13 . 34143 1 772 . 1 1 64 64 ILE HG21 H 1 0.961 0.003 . . . . . A 64 ILE HG21 . 34143 1 773 . 1 1 64 64 ILE HG22 H 1 0.961 0.003 . . . . . A 64 ILE HG22 . 34143 1 774 . 1 1 64 64 ILE HG23 H 1 0.961 0.003 . . . . . A 64 ILE HG23 . 34143 1 775 . 1 1 64 64 ILE HD11 H 1 0.767 0.001 . . . . . A 64 ILE HD11 . 34143 1 776 . 1 1 64 64 ILE HD12 H 1 0.767 0.001 . . . . . A 64 ILE HD12 . 34143 1 777 . 1 1 64 64 ILE HD13 H 1 0.767 0.001 . . . . . A 64 ILE HD13 . 34143 1 778 . 1 1 64 64 ILE C C 13 176.469 0.000 . . . . . A 64 ILE C . 34143 1 779 . 1 1 64 64 ILE CA C 13 62.725 0.058 . . . . . A 64 ILE CA . 34143 1 780 . 1 1 64 64 ILE CB C 13 37.695 0.027 . . . . . A 64 ILE CB . 34143 1 781 . 1 1 64 64 ILE CG1 C 13 29.212 0.036 . . . . . A 64 ILE CG1 . 34143 1 782 . 1 1 64 64 ILE CG2 C 13 17.599 0.003 . . . . . A 64 ILE CG2 . 34143 1 783 . 1 1 64 64 ILE CD1 C 13 12.685 0.062 . . . . . A 64 ILE CD1 . 34143 1 784 . 1 1 64 64 ILE N N 15 127.982 0.017 . . . . . A 64 ILE N . 34143 1 785 . 1 1 65 65 LEU H H 1 8.675 0.007 . . . . . A 65 LEU H . 34143 1 786 . 1 1 65 65 LEU HA H 1 4.373 0.006 . . . . . A 65 LEU HA . 34143 1 787 . 1 1 65 65 LEU HB2 H 1 1.601 0.000 . . . . . A 65 LEU HB2 . 34143 1 788 . 1 1 65 65 LEU HB3 H 1 1.405 0.001 . . . . . A 65 LEU HB3 . 34143 1 789 . 1 1 65 65 LEU HG H 1 1.573 0.001 . . . . . A 65 LEU HG . 34143 1 790 . 1 1 65 65 LEU HD11 H 1 0.777 0.000 . . . . . A 65 LEU HD11 . 34143 1 791 . 1 1 65 65 LEU HD12 H 1 0.777 0.000 . . . . . A 65 LEU HD12 . 34143 1 792 . 1 1 65 65 LEU HD13 H 1 0.777 0.000 . . . . . A 65 LEU HD13 . 34143 1 793 . 1 1 65 65 LEU HD21 H 1 0.772 0.000 . . . . . A 65 LEU HD21 . 34143 1 794 . 1 1 65 65 LEU HD22 H 1 0.772 0.000 . . . . . A 65 LEU HD22 . 34143 1 795 . 1 1 65 65 LEU HD23 H 1 0.772 0.000 . . . . . A 65 LEU HD23 . 34143 1 796 . 1 1 65 65 LEU C C 13 176.585 0.025 . . . . . A 65 LEU C . 34143 1 797 . 1 1 65 65 LEU CA C 13 54.940 0.064 . . . . . A 65 LEU CA . 34143 1 798 . 1 1 65 65 LEU CB C 13 41.696 0.065 . . . . . A 65 LEU CB . 34143 1 799 . 1 1 65 65 LEU CG C 13 26.813 0.003 . . . . . A 65 LEU CG . 34143 1 800 . 1 1 65 65 LEU CD1 C 13 25.605 0.009 . . . . . A 65 LEU CD1 . 34143 1 801 . 1 1 65 65 LEU CD2 C 13 22.937 0.136 . . . . . A 65 LEU CD2 . 34143 1 802 . 1 1 65 65 LEU N N 15 129.011 0.012 . . . . . A 65 LEU N . 34143 1 803 . 1 1 66 66 VAL H H 1 8.023 0.004 . . . . . A 66 VAL H . 34143 1 804 . 1 1 66 66 VAL HA H 1 4.251 0.003 . . . . . A 66 VAL HA . 34143 1 805 . 1 1 66 66 VAL HB H 1 2.095 0.004 . . . . . A 66 VAL HB . 34143 1 806 . 1 1 66 66 VAL HG11 H 1 0.952 0.002 . . . . . A 66 VAL HG11 . 34143 1 807 . 1 1 66 66 VAL HG12 H 1 0.952 0.002 . . . . . A 66 VAL HG12 . 34143 1 808 . 1 1 66 66 VAL HG13 H 1 0.952 0.002 . . . . . A 66 VAL HG13 . 34143 1 809 . 1 1 66 66 VAL HG21 H 1 0.954 0.000 . . . . . A 66 VAL HG21 . 34143 1 810 . 1 1 66 66 VAL HG22 H 1 0.954 0.000 . . . . . A 66 VAL HG22 . 34143 1 811 . 1 1 66 66 VAL HG23 H 1 0.954 0.000 . . . . . A 66 VAL HG23 . 34143 1 812 . 1 1 66 66 VAL C C 13 176.464 0.129 . . . . . A 66 VAL C . 34143 1 813 . 1 1 66 66 VAL CA C 13 61.887 0.033 . . . . . A 66 VAL CA . 34143 1 814 . 1 1 66 66 VAL CB C 13 33.285 0.040 . . . . . A 66 VAL CB . 34143 1 815 . 1 1 66 66 VAL CG1 C 13 21.028 0.000 . . . . . A 66 VAL CG1 . 34143 1 816 . 1 1 66 66 VAL CG2 C 13 20.594 0.000 . . . . . A 66 VAL CG2 . 34143 1 817 . 1 1 66 66 VAL N N 15 120.663 0.021 . . . . . A 66 VAL N . 34143 1 818 . 1 1 67 67 GLY H H 1 8.509 0.005 . . . . . A 67 GLY H . 34143 1 819 . 1 1 67 67 GLY HA2 H 1 3.969 0.000 . . . . . A 67 GLY HA2 . 34143 1 820 . 1 1 67 67 GLY HA3 H 1 3.917 0.000 . . . . . A 67 GLY HA3 . 34143 1 821 . 1 1 67 67 GLY C C 13 176.310 0.000 . . . . . A 67 GLY C . 34143 1 822 . 1 1 67 67 GLY CA C 13 45.472 0.096 . . . . . A 67 GLY CA . 34143 1 823 . 1 1 67 67 GLY N N 15 112.509 0.041 . . . . . A 67 GLY N . 34143 1 824 . 1 1 68 68 MET HA H 1 4.360 0.000 . . . . . A 68 MET HA . 34143 1 825 . 1 1 68 68 MET HB2 H 1 1.883 0.003 . . . . . A 68 MET HB2 . 34143 1 826 . 1 1 68 68 MET HB3 H 1 1.883 0.003 . . . . . A 68 MET HB3 . 34143 1 827 . 1 1 68 68 MET HG2 H 1 2.368 0.003 . . . . . A 68 MET HG2 . 34143 1 828 . 1 1 68 68 MET HG3 H 1 2.368 0.003 . . . . . A 68 MET HG3 . 34143 1 829 . 1 1 68 68 MET HE1 H 1 2.033 0.004 . . . . . A 68 MET HE1 . 34143 1 830 . 1 1 68 68 MET HE2 H 1 2.033 0.004 . . . . . A 68 MET HE2 . 34143 1 831 . 1 1 68 68 MET HE3 H 1 2.033 0.004 . . . . . A 68 MET HE3 . 34143 1 832 . 1 1 68 68 MET C C 13 175.975 0.007 . . . . . A 68 MET C . 34143 1 833 . 1 1 68 68 MET CA C 13 55.883 0.021 . . . . . A 68 MET CA . 34143 1 834 . 1 1 68 68 MET CB C 13 32.583 0.049 . . . . . A 68 MET CB . 34143 1 835 . 1 1 68 68 MET CG C 13 31.916 0.013 . . . . . A 68 MET CG . 34143 1 836 . 1 1 68 68 MET CE C 13 17.012 0.009 . . . . . A 68 MET CE . 34143 1 837 . 1 1 69 69 TYR H H 1 8.103 0.002 . . . . . A 69 TYR H . 34143 1 838 . 1 1 69 69 TYR HA H 1 4.605 0.003 . . . . . A 69 TYR HA . 34143 1 839 . 1 1 69 69 TYR HB2 H 1 3.124 0.006 . . . . . A 69 TYR HB2 . 34143 1 840 . 1 1 69 69 TYR HB3 H 1 2.889 0.008 . . . . . A 69 TYR HB3 . 34143 1 841 . 1 1 69 69 TYR HD1 H 1 7.086 0.001 . . . . . A 69 TYR HD1 . 34143 1 842 . 1 1 69 69 TYR HD2 H 1 7.086 0.001 . . . . . A 69 TYR HD2 . 34143 1 843 . 1 1 69 69 TYR HE1 H 1 6.790 0.012 . . . . . A 69 TYR HE1 . 34143 1 844 . 1 1 69 69 TYR HE2 H 1 6.790 0.012 . . . . . A 69 TYR HE2 . 34143 1 845 . 1 1 69 69 TYR C C 13 175.246 0.009 . . . . . A 69 TYR C . 34143 1 846 . 1 1 69 69 TYR CA C 13 57.497 0.127 . . . . . A 69 TYR CA . 34143 1 847 . 1 1 69 69 TYR CB C 13 38.745 0.023 . . . . . A 69 TYR CB . 34143 1 848 . 1 1 69 69 TYR CD1 C 13 133.231 0.057 . . . . . A 69 TYR CD1 . 34143 1 849 . 1 1 69 69 TYR CE1 C 13 118.228 0.000 . . . . . A 69 TYR CE1 . 34143 1 850 . 1 1 69 69 TYR N N 15 119.894 0.030 . . . . . A 69 TYR N . 34143 1 851 . 1 1 70 70 ASP H H 1 8.140 0.004 . . . . . A 70 ASP H . 34143 1 852 . 1 1 70 70 ASP HA H 1 4.563 0.004 . . . . . A 70 ASP HA . 34143 1 853 . 1 1 70 70 ASP HB2 H 1 2.659 0.000 . . . . . A 70 ASP HB2 . 34143 1 854 . 1 1 70 70 ASP HB3 H 1 2.550 0.007 . . . . . A 70 ASP HB3 . 34143 1 855 . 1 1 70 70 ASP C C 13 175.706 0.003 . . . . . A 70 ASP C . 34143 1 856 . 1 1 70 70 ASP CA C 13 54.155 0.052 . . . . . A 70 ASP CA . 34143 1 857 . 1 1 70 70 ASP CB C 13 41.465 0.087 . . . . . A 70 ASP CB . 34143 1 858 . 1 1 70 70 ASP N N 15 121.812 0.028 . . . . . A 70 ASP N . 34143 1 859 . 1 1 71 71 LYS H H 1 8.062 0.002 . . . . . A 71 LYS H . 34143 1 860 . 1 1 71 71 LYS HA H 1 4.257 0.005 . . . . . A 71 LYS HA . 34143 1 861 . 1 1 71 71 LYS HB2 H 1 1.829 0.005 . . . . . A 71 LYS HB2 . 34143 1 862 . 1 1 71 71 LYS HB3 H 1 1.715 0.004 . . . . . A 71 LYS HB3 . 34143 1 863 . 1 1 71 71 LYS HG2 H 1 1.416 0.000 . . . . . A 71 LYS HG2 . 34143 1 864 . 1 1 71 71 LYS HG3 H 1 1.369 0.002 . . . . . A 71 LYS HG3 . 34143 1 865 . 1 1 71 71 LYS HD2 H 1 1.669 0.002 . . . . . A 71 LYS HD2 . 34143 1 866 . 1 1 71 71 LYS HD3 H 1 1.669 0.002 . . . . . A 71 LYS HD3 . 34143 1 867 . 1 1 71 71 LYS C C 13 176.234 0.008 . . . . . A 71 LYS C . 34143 1 868 . 1 1 71 71 LYS CA C 13 56.182 0.075 . . . . . A 71 LYS CA . 34143 1 869 . 1 1 71 71 LYS CB C 13 32.984 0.043 . . . . . A 71 LYS CB . 34143 1 870 . 1 1 71 71 LYS CG C 13 24.770 0.010 . . . . . A 71 LYS CG . 34143 1 871 . 1 1 71 71 LYS CD C 13 29.058 0.046 . . . . . A 71 LYS CD . 34143 1 872 . 1 1 71 71 LYS CE C 13 42.034 0.124 . . . . . A 71 LYS CE . 34143 1 873 . 1 1 71 71 LYS N N 15 121.367 0.016 . . . . . A 71 LYS N . 34143 1 874 . 1 1 72 72 LYS H H 1 8.281 0.001 . . . . . A 72 LYS H . 34143 1 875 . 1 1 72 72 LYS HA H 1 4.558 0.001 . . . . . A 72 LYS HA . 34143 1 876 . 1 1 72 72 LYS HB2 H 1 1.798 0.001 . . . . . A 72 LYS HB2 . 34143 1 877 . 1 1 72 72 LYS HB3 H 1 1.717 0.002 . . . . . A 72 LYS HB3 . 34143 1 878 . 1 1 72 72 LYS HG2 H 1 1.460 0.000 . . . . . A 72 LYS HG2 . 34143 1 879 . 1 1 72 72 LYS HG3 H 1 1.426 0.000 . . . . . A 72 LYS HG3 . 34143 1 880 . 1 1 72 72 LYS HD2 H 1 1.681 0.001 . . . . . A 72 LYS HD2 . 34143 1 881 . 1 1 72 72 LYS HD3 H 1 1.681 0.001 . . . . . A 72 LYS HD3 . 34143 1 882 . 1 1 72 72 LYS HE2 H 1 2.983 0.000 . . . . . A 72 LYS HE2 . 34143 1 883 . 1 1 72 72 LYS HE3 H 1 2.983 0.000 . . . . . A 72 LYS HE3 . 34143 1 884 . 1 1 72 72 LYS C C 13 174.478 0.000 . . . . . A 72 LYS C . 34143 1 885 . 1 1 72 72 LYS CA C 13 54.254 0.037 . . . . . A 72 LYS CA . 34143 1 886 . 1 1 72 72 LYS CB C 13 32.422 0.016 . . . . . A 72 LYS CB . 34143 1 887 . 1 1 72 72 LYS CG C 13 24.580 0.026 . . . . . A 72 LYS CG . 34143 1 888 . 1 1 72 72 LYS CD C 13 29.110 0.058 . . . . . A 72 LYS CD . 34143 1 889 . 1 1 72 72 LYS CE C 13 41.956 0.000 . . . . . A 72 LYS CE . 34143 1 890 . 1 1 72 72 LYS N N 15 123.725 0.011 . . . . . A 72 LYS N . 34143 1 891 . 1 1 73 73 PRO HA H 1 4.407 0.006 . . . . . A 73 PRO HA . 34143 1 892 . 1 1 73 73 PRO HB2 H 1 2.293 0.004 . . . . . A 73 PRO HB2 . 34143 1 893 . 1 1 73 73 PRO HB3 H 1 1.904 0.005 . . . . . A 73 PRO HB3 . 34143 1 894 . 1 1 73 73 PRO HG2 H 1 1.998 0.000 . . . . . A 73 PRO HG2 . 34143 1 895 . 1 1 73 73 PRO HG3 H 1 1.998 0.000 . . . . . A 73 PRO HG3 . 34143 1 896 . 1 1 73 73 PRO HD2 H 1 3.807 0.004 . . . . . A 73 PRO HD2 . 34143 1 897 . 1 1 73 73 PRO HD3 H 1 3.604 0.005 . . . . . A 73 PRO HD3 . 34143 1 898 . 1 1 73 73 PRO C C 13 176.838 0.005 . . . . . A 73 PRO C . 34143 1 899 . 1 1 73 73 PRO CA C 13 63.073 0.021 . . . . . A 73 PRO CA . 34143 1 900 . 1 1 73 73 PRO CB C 13 32.133 0.022 . . . . . A 73 PRO CB . 34143 1 901 . 1 1 73 73 PRO CG C 13 27.541 0.123 . . . . . A 73 PRO CG . 34143 1 902 . 1 1 73 73 PRO CD C 13 50.622 0.052 . . . . . A 73 PRO CD . 34143 1 903 . 1 1 74 74 ALA H H 1 8.491 0.002 . . . . . A 74 ALA H . 34143 1 904 . 1 1 74 74 ALA HA H 1 4.302 0.001 . . . . . A 74 ALA HA . 34143 1 905 . 1 1 74 74 ALA HB1 H 1 1.399 0.002 . . . . . A 74 ALA HB1 . 34143 1 906 . 1 1 74 74 ALA HB2 H 1 1.399 0.002 . . . . . A 74 ALA HB2 . 34143 1 907 . 1 1 74 74 ALA HB3 H 1 1.399 0.002 . . . . . A 74 ALA HB3 . 34143 1 908 . 1 1 74 74 ALA C C 13 178.444 0.000 . . . . . A 74 ALA C . 34143 1 909 . 1 1 74 74 ALA CA C 13 52.786 0.093 . . . . . A 74 ALA CA . 34143 1 910 . 1 1 74 74 ALA CB C 13 19.264 0.018 . . . . . A 74 ALA CB . 34143 1 911 . 1 1 74 74 ALA N N 15 124.957 0.021 . . . . . A 74 ALA N . 34143 1 912 . 1 1 75 75 GLY HA2 H 1 4.004 0.000 . . . . . A 75 GLY HA2 . 34143 1 913 . 1 1 75 75 GLY HA3 H 1 4.004 0.000 . . . . . A 75 GLY HA3 . 34143 1 914 . 1 1 75 75 GLY CA C 13 45.458 0.000 . . . . . A 75 GLY CA . 34143 1 915 . 1 1 82 82 GLY HA2 H 1 3.968 0.006 . . . . . A 82 GLY HA2 . 34143 1 916 . 1 1 82 82 GLY HA3 H 1 3.968 0.006 . . . . . A 82 GLY HA3 . 34143 1 917 . 1 1 82 82 GLY C C 13 174.121 0.002 . . . . . A 82 GLY C . 34143 1 918 . 1 1 82 82 GLY CA C 13 45.412 0.052 . . . . . A 82 GLY CA . 34143 1 919 . 1 1 83 83 LEU H H 1 8.127 0.002 . . . . . A 83 LEU H . 34143 1 920 . 1 1 83 83 LEU HA H 1 4.435 0.006 . . . . . A 83 LEU HA . 34143 1 921 . 1 1 83 83 LEU HB2 H 1 1.657 0.000 . . . . . A 83 LEU HB2 . 34143 1 922 . 1 1 83 83 LEU HB3 H 1 1.592 0.000 . . . . . A 83 LEU HB3 . 34143 1 923 . 1 1 83 83 LEU HG H 1 1.591 0.000 . . . . . A 83 LEU HG . 34143 1 924 . 1 1 83 83 LEU HD11 H 1 0.906 0.000 . . . . . A 83 LEU HD11 . 34143 1 925 . 1 1 83 83 LEU HD12 H 1 0.906 0.000 . . . . . A 83 LEU HD12 . 34143 1 926 . 1 1 83 83 LEU HD13 H 1 0.906 0.000 . . . . . A 83 LEU HD13 . 34143 1 927 . 1 1 83 83 LEU HD21 H 1 0.861 0.005 . . . . . A 83 LEU HD21 . 34143 1 928 . 1 1 83 83 LEU HD22 H 1 0.861 0.005 . . . . . A 83 LEU HD22 . 34143 1 929 . 1 1 83 83 LEU HD23 H 1 0.861 0.005 . . . . . A 83 LEU HD23 . 34143 1 930 . 1 1 83 83 LEU C C 13 177.743 0.004 . . . . . A 83 LEU C . 34143 1 931 . 1 1 83 83 LEU CA C 13 55.168 0.073 . . . . . A 83 LEU CA . 34143 1 932 . 1 1 83 83 LEU CB C 13 42.444 0.028 . . . . . A 83 LEU CB . 34143 1 933 . 1 1 83 83 LEU CG C 13 27.008 0.072 . . . . . A 83 LEU CG . 34143 1 934 . 1 1 83 83 LEU CD1 C 13 25.020 0.051 . . . . . A 83 LEU CD1 . 34143 1 935 . 1 1 83 83 LEU CD2 C 13 23.343 0.034 . . . . . A 83 LEU CD2 . 34143 1 936 . 1 1 83 83 LEU N N 15 121.555 0.017 . . . . . A 83 LEU N . 34143 1 937 . 1 1 84 84 THR H H 1 8.190 0.001 . . . . . A 84 THR H . 34143 1 938 . 1 1 84 84 THR HA H 1 4.385 0.001 . . . . . A 84 THR HA . 34143 1 939 . 1 1 84 84 THR HB H 1 4.256 0.000 . . . . . A 84 THR HB . 34143 1 940 . 1 1 84 84 THR HG21 H 1 1.174 0.000 . . . . . A 84 THR HG21 . 34143 1 941 . 1 1 84 84 THR HG22 H 1 1.174 0.000 . . . . . A 84 THR HG22 . 34143 1 942 . 1 1 84 84 THR HG23 H 1 1.174 0.000 . . . . . A 84 THR HG23 . 34143 1 943 . 1 1 84 84 THR C C 13 174.311 0.003 . . . . . A 84 THR C . 34143 1 944 . 1 1 84 84 THR CA C 13 61.670 0.061 . . . . . A 84 THR CA . 34143 1 945 . 1 1 84 84 THR CB C 13 69.967 0.072 . . . . . A 84 THR CB . 34143 1 946 . 1 1 84 84 THR CG2 C 13 21.652 0.070 . . . . . A 84 THR CG2 . 34143 1 947 . 1 1 84 84 THR N N 15 114.268 0.015 . . . . . A 84 THR N . 34143 1 948 . 1 1 85 85 ASP H H 1 8.342 0.001 . . . . . A 85 ASP H . 34143 1 949 . 1 1 85 85 ASP HA H 1 4.652 0.001 . . . . . A 85 ASP HA . 34143 1 950 . 1 1 85 85 ASP HB2 H 1 2.737 0.006 . . . . . A 85 ASP HB2 . 34143 1 951 . 1 1 85 85 ASP HB3 H 1 2.640 0.009 . . . . . A 85 ASP HB3 . 34143 1 952 . 1 1 85 85 ASP C C 13 176.251 0.004 . . . . . A 85 ASP C . 34143 1 953 . 1 1 85 85 ASP CA C 13 54.502 0.026 . . . . . A 85 ASP CA . 34143 1 954 . 1 1 85 85 ASP CB C 13 41.202 0.027 . . . . . A 85 ASP CB . 34143 1 955 . 1 1 85 85 ASP N N 15 122.749 0.016 . . . . . A 85 ASP N . 34143 1 956 . 1 1 86 86 GLU H H 1 8.414 0.002 . . . . . A 86 GLU H . 34143 1 957 . 1 1 86 86 GLU HA H 1 4.309 0.006 . . . . . A 86 GLU HA . 34143 1 958 . 1 1 86 86 GLU HB2 H 1 2.148 0.000 . . . . . A 86 GLU HB2 . 34143 1 959 . 1 1 86 86 GLU HB3 H 1 1.997 0.000 . . . . . A 86 GLU HB3 . 34143 1 960 . 1 1 86 86 GLU HG2 H 1 2.331 0.001 . . . . . A 86 GLU HG2 . 34143 1 961 . 1 1 86 86 GLU HG3 H 1 2.276 0.000 . . . . . A 86 GLU HG3 . 34143 1 962 . 1 1 86 86 GLU C C 13 176.221 0.006 . . . . . A 86 GLU C . 34143 1 963 . 1 1 86 86 GLU CA C 13 56.990 0.056 . . . . . A 86 GLU CA . 34143 1 964 . 1 1 86 86 GLU CB C 13 30.616 0.018 . . . . . A 86 GLU CB . 34143 1 965 . 1 1 86 86 GLU CG C 13 36.500 0.056 . . . . . A 86 GLU CG . 34143 1 966 . 1 1 86 86 GLU N N 15 121.371 0.006 . . . . . A 86 GLU N . 34143 1 967 . 1 1 87 87 LEU H H 1 8.151 0.004 . . . . . A 87 LEU H . 34143 1 968 . 1 1 87 87 LEU HA H 1 4.358 0.005 . . . . . A 87 LEU HA . 34143 1 969 . 1 1 87 87 LEU HB2 H 1 1.579 0.000 . . . . . A 87 LEU HB2 . 34143 1 970 . 1 1 87 87 LEU HB3 H 1 1.483 0.000 . . . . . A 87 LEU HB3 . 34143 1 971 . 1 1 87 87 LEU HG H 1 1.590 0.007 . . . . . A 87 LEU HG . 34143 1 972 . 1 1 87 87 LEU HD11 H 1 0.903 0.000 . . . . . A 87 LEU HD11 . 34143 1 973 . 1 1 87 87 LEU HD12 H 1 0.903 0.000 . . . . . A 87 LEU HD12 . 34143 1 974 . 1 1 87 87 LEU HD13 H 1 0.903 0.000 . . . . . A 87 LEU HD13 . 34143 1 975 . 1 1 87 87 LEU HD21 H 1 0.854 0.000 . . . . . A 87 LEU HD21 . 34143 1 976 . 1 1 87 87 LEU HD22 H 1 0.854 0.000 . . . . . A 87 LEU HD22 . 34143 1 977 . 1 1 87 87 LEU HD23 H 1 0.854 0.000 . . . . . A 87 LEU HD23 . 34143 1 978 . 1 1 87 87 LEU C C 13 175.808 0.004 . . . . . A 87 LEU C . 34143 1 979 . 1 1 87 87 LEU CA C 13 54.240 0.014 . . . . . A 87 LEU CA . 34143 1 980 . 1 1 87 87 LEU CB C 13 42.565 0.013 . . . . . A 87 LEU CB . 34143 1 981 . 1 1 87 87 LEU CG C 13 26.902 0.070 . . . . . A 87 LEU CG . 34143 1 982 . 1 1 87 87 LEU CD1 C 13 24.851 0.058 . . . . . A 87 LEU CD1 . 34143 1 983 . 1 1 87 87 LEU CD2 C 13 23.577 0.004 . . . . . A 87 LEU CD2 . 34143 1 984 . 1 1 87 87 LEU N N 15 122.698 0.008 . . . . . A 87 LEU N . 34143 1 985 . 1 1 88 88 ALA H H 1 8.136 0.001 . . . . . A 88 ALA H . 34143 1 986 . 1 1 88 88 ALA HA H 1 3.020 0.005 . . . . . A 88 ALA HA . 34143 1 987 . 1 1 88 88 ALA HB1 H 1 0.798 0.001 . . . . . A 88 ALA HB1 . 34143 1 988 . 1 1 88 88 ALA HB2 H 1 0.798 0.001 . . . . . A 88 ALA HB2 . 34143 1 989 . 1 1 88 88 ALA HB3 H 1 0.798 0.001 . . . . . A 88 ALA HB3 . 34143 1 990 . 1 1 88 88 ALA C C 13 174.874 0.000 . . . . . A 88 ALA C . 34143 1 991 . 1 1 88 88 ALA CA C 13 49.891 0.056 . . . . . A 88 ALA CA . 34143 1 992 . 1 1 88 88 ALA CB C 13 17.130 0.088 . . . . . A 88 ALA CB . 34143 1 993 . 1 1 88 88 ALA N N 15 125.914 0.008 . . . . . A 88 ALA N . 34143 1 994 . 1 1 89 89 PRO HA H 1 4.539 0.001 . . . . . A 89 PRO HA . 34143 1 995 . 1 1 89 89 PRO HB2 H 1 2.179 0.002 . . . . . A 89 PRO HB2 . 34143 1 996 . 1 1 89 89 PRO HB3 H 1 1.669 0.004 . . . . . A 89 PRO HB3 . 34143 1 997 . 1 1 89 89 PRO HG2 H 1 1.781 0.002 . . . . . A 89 PRO HG2 . 34143 1 998 . 1 1 89 89 PRO HG3 H 1 1.485 0.000 . . . . . A 89 PRO HG3 . 34143 1 999 . 1 1 89 89 PRO HD2 H 1 3.027 0.000 . . . . . A 89 PRO HD2 . 34143 1 1000 . 1 1 89 89 PRO HD3 H 1 2.534 0.001 . . . . . A 89 PRO HD3 . 34143 1 1001 . 1 1 89 89 PRO CA C 13 60.775 0.043 . . . . . A 89 PRO CA . 34143 1 1002 . 1 1 89 89 PRO CB C 13 30.723 0.026 . . . . . A 89 PRO CB . 34143 1 1003 . 1 1 89 89 PRO CG C 13 26.614 0.036 . . . . . A 89 PRO CG . 34143 1 1004 . 1 1 89 89 PRO CD C 13 50.113 0.007 . . . . . A 89 PRO CD . 34143 1 1005 . 1 1 90 90 PRO HA H 1 4.261 0.004 . . . . . A 90 PRO HA . 34143 1 1006 . 1 1 90 90 PRO HB2 H 1 2.241 0.004 . . . . . A 90 PRO HB2 . 34143 1 1007 . 1 1 90 90 PRO HB3 H 1 1.728 0.005 . . . . . A 90 PRO HB3 . 34143 1 1008 . 1 1 90 90 PRO HG2 H 1 1.951 0.003 . . . . . A 90 PRO HG2 . 34143 1 1009 . 1 1 90 90 PRO HG3 H 1 1.951 0.003 . . . . . A 90 PRO HG3 . 34143 1 1010 . 1 1 90 90 PRO HD2 H 1 3.711 0.001 . . . . . A 90 PRO HD2 . 34143 1 1011 . 1 1 90 90 PRO HD3 H 1 3.450 0.002 . . . . . A 90 PRO HD3 . 34143 1 1012 . 1 1 90 90 PRO C C 13 177.387 0.002 . . . . . A 90 PRO C . 34143 1 1013 . 1 1 90 90 PRO CA C 13 62.503 0.054 . . . . . A 90 PRO CA . 34143 1 1014 . 1 1 90 90 PRO CB C 13 31.727 0.053 . . . . . A 90 PRO CB . 34143 1 1015 . 1 1 90 90 PRO CG C 13 27.574 0.039 . . . . . A 90 PRO CG . 34143 1 1016 . 1 1 90 90 PRO CD C 13 50.261 0.054 . . . . . A 90 PRO CD . 34143 1 1017 . 1 1 91 91 LYS H H 1 8.767 0.003 . . . . . A 91 LYS H . 34143 1 1018 . 1 1 91 91 LYS HA H 1 4.424 0.001 . . . . . A 91 LYS HA . 34143 1 1019 . 1 1 91 91 LYS HB2 H 1 1.716 0.003 . . . . . A 91 LYS HB2 . 34143 1 1020 . 1 1 91 91 LYS HB3 H 1 1.716 0.003 . . . . . A 91 LYS HB3 . 34143 1 1021 . 1 1 91 91 LYS HG2 H 1 1.555 0.000 . . . . . A 91 LYS HG2 . 34143 1 1022 . 1 1 91 91 LYS HG3 H 1 1.239 0.003 . . . . . A 91 LYS HG3 . 34143 1 1023 . 1 1 91 91 LYS HD2 H 1 1.894 0.000 . . . . . A 91 LYS HD2 . 34143 1 1024 . 1 1 91 91 LYS HD3 H 1 1.838 0.000 . . . . . A 91 LYS HD3 . 34143 1 1025 . 1 1 91 91 LYS HE2 H 1 3.357 0.006 . . . . . A 91 LYS HE2 . 34143 1 1026 . 1 1 91 91 LYS HE3 H 1 2.795 0.004 . . . . . A 91 LYS HE3 . 34143 1 1027 . 1 1 91 91 LYS C C 13 174.418 0.000 . . . . . A 91 LYS C . 34143 1 1028 . 1 1 91 91 LYS CA C 13 55.368 0.000 . . . . . A 91 LYS CA . 34143 1 1029 . 1 1 91 91 LYS CB C 13 31.567 0.015 . . . . . A 91 LYS CB . 34143 1 1030 . 1 1 91 91 LYS CG C 13 26.780 0.052 . . . . . A 91 LYS CG . 34143 1 1031 . 1 1 91 91 LYS CD C 13 30.000 0.037 . . . . . A 91 LYS CD . 34143 1 1032 . 1 1 91 91 LYS CE C 13 42.536 0.002 . . . . . A 91 LYS CE . 34143 1 1033 . 1 1 91 91 LYS N N 15 125.064 0.034 . . . . . A 91 LYS N . 34143 1 1034 . 1 1 92 92 PRO HA H 1 4.693 0.001 . . . . . A 92 PRO HA . 34143 1 1035 . 1 1 92 92 PRO HB2 H 1 1.933 0.001 . . . . . A 92 PRO HB2 . 34143 1 1036 . 1 1 92 92 PRO HB3 H 1 2.422 0.002 . . . . . A 92 PRO HB3 . 34143 1 1037 . 1 1 92 92 PRO HG2 H 1 0.847 0.000 . . . . . A 92 PRO HG2 . 34143 1 1038 . 1 1 92 92 PRO HG3 H 1 1.464 0.000 . . . . . A 92 PRO HG3 . 34143 1 1039 . 1 1 92 92 PRO HD2 H 1 3.250 0.007 . . . . . A 92 PRO HD2 . 34143 1 1040 . 1 1 92 92 PRO HD3 H 1 2.496 0.003 . . . . . A 92 PRO HD3 . 34143 1 1041 . 1 1 92 92 PRO CA C 13 60.990 0.047 . . . . . A 92 PRO CA . 34143 1 1042 . 1 1 92 92 PRO CB C 13 30.023 0.037 . . . . . A 92 PRO CB . 34143 1 1043 . 1 1 92 92 PRO CG C 13 26.092 0.170 . . . . . A 92 PRO CG . 34143 1 1044 . 1 1 92 92 PRO CD C 13 49.710 0.025 . . . . . A 92 PRO CD . 34143 1 1045 . 1 1 93 93 PRO HA H 1 4.478 0.004 . . . . . A 93 PRO HA . 34143 1 1046 . 1 1 93 93 PRO HB2 H 1 1.898 0.005 . . . . . A 93 PRO HB2 . 34143 1 1047 . 1 1 93 93 PRO HB3 H 1 2.370 0.005 . . . . . A 93 PRO HB3 . 34143 1 1048 . 1 1 93 93 PRO HG2 H 1 2.094 0.000 . . . . . A 93 PRO HG2 . 34143 1 1049 . 1 1 93 93 PRO HG3 H 1 2.060 0.000 . . . . . A 93 PRO HG3 . 34143 1 1050 . 1 1 93 93 PRO HD2 H 1 3.806 0.000 . . . . . A 93 PRO HD2 . 34143 1 1051 . 1 1 93 93 PRO HD3 H 1 3.720 0.001 . . . . . A 93 PRO HD3 . 34143 1 1052 . 1 1 93 93 PRO C C 13 177.003 0.003 . . . . . A 93 PRO C . 34143 1 1053 . 1 1 93 93 PRO CA C 13 63.179 0.031 . . . . . A 93 PRO CA . 34143 1 1054 . 1 1 93 93 PRO CB C 13 32.677 0.027 . . . . . A 93 PRO CB . 34143 1 1055 . 1 1 93 93 PRO CG C 13 27.489 0.018 . . . . . A 93 PRO CG . 34143 1 1056 . 1 1 93 93 PRO CD C 13 50.423 0.085 . . . . . A 93 PRO CD . 34143 1 1057 . 1 1 94 94 LEU H H 1 8.381 0.001 . . . . . A 94 LEU H . 34143 1 1058 . 1 1 94 94 LEU HA H 1 4.755 0.000 . . . . . A 94 LEU HA . 34143 1 1059 . 1 1 94 94 LEU HB2 H 1 1.408 0.005 . . . . . A 94 LEU HB2 . 34143 1 1060 . 1 1 94 94 LEU HB3 H 1 1.408 0.005 . . . . . A 94 LEU HB3 . 34143 1 1061 . 1 1 94 94 LEU HG H 1 1.385 0.000 . . . . . A 94 LEU HG . 34143 1 1062 . 1 1 94 94 LEU HD11 H 1 0.351 0.004 . . . . . A 94 LEU HD11 . 34143 1 1063 . 1 1 94 94 LEU HD12 H 1 0.351 0.004 . . . . . A 94 LEU HD12 . 34143 1 1064 . 1 1 94 94 LEU HD13 H 1 0.351 0.004 . . . . . A 94 LEU HD13 . 34143 1 1065 . 1 1 94 94 LEU HD21 H 1 0.128 0.003 . . . . . A 94 LEU HD21 . 34143 1 1066 . 1 1 94 94 LEU HD22 H 1 0.128 0.003 . . . . . A 94 LEU HD22 . 34143 1 1067 . 1 1 94 94 LEU HD23 H 1 0.128 0.003 . . . . . A 94 LEU HD23 . 34143 1 1068 . 1 1 94 94 LEU C C 13 174.824 0.000 . . . . . A 94 LEU C . 34143 1 1069 . 1 1 94 94 LEU CA C 13 52.223 0.000 . . . . . A 94 LEU CA . 34143 1 1070 . 1 1 94 94 LEU CB C 13 43.225 0.007 . . . . . A 94 LEU CB . 34143 1 1071 . 1 1 94 94 LEU CG C 13 27.059 0.022 . . . . . A 94 LEU CG . 34143 1 1072 . 1 1 94 94 LEU CD1 C 13 24.866 0.000 . . . . . A 94 LEU CD1 . 34143 1 1073 . 1 1 94 94 LEU CD2 C 13 23.415 0.009 . . . . . A 94 LEU CD2 . 34143 1 1074 . 1 1 94 94 LEU N N 15 123.820 0.012 . . . . . A 94 LEU N . 34143 1 1075 . 1 1 95 95 PRO HA H 1 4.376 0.005 . . . . . A 95 PRO HA . 34143 1 1076 . 1 1 95 95 PRO HB2 H 1 2.257 0.004 . . . . . A 95 PRO HB2 . 34143 1 1077 . 1 1 95 95 PRO HB3 H 1 1.847 0.008 . . . . . A 95 PRO HB3 . 34143 1 1078 . 1 1 95 95 PRO HG2 H 1 1.940 0.000 . . . . . A 95 PRO HG2 . 34143 1 1079 . 1 1 95 95 PRO HG3 H 1 1.887 0.000 . . . . . A 95 PRO HG3 . 34143 1 1080 . 1 1 95 95 PRO HD2 H 1 3.440 0.004 . . . . . A 95 PRO HD2 . 34143 1 1081 . 1 1 95 95 PRO HD3 H 1 3.576 0.002 . . . . . A 95 PRO HD3 . 34143 1 1082 . 1 1 95 95 PRO C C 13 176.741 0.008 . . . . . A 95 PRO C . 34143 1 1083 . 1 1 95 95 PRO CA C 13 63.081 0.020 . . . . . A 95 PRO CA . 34143 1 1084 . 1 1 95 95 PRO CB C 13 32.039 0.023 . . . . . A 95 PRO CB . 34143 1 1085 . 1 1 95 95 PRO CG C 13 27.319 0.018 . . . . . A 95 PRO CG . 34143 1 1086 . 1 1 95 95 PRO CD C 13 50.612 0.028 . . . . . A 95 PRO CD . 34143 1 1087 . 1 1 96 96 GLU H H 1 8.506 0.003 . . . . . A 96 GLU H . 34143 1 1088 . 1 1 96 96 GLU HA H 1 4.254 0.006 . . . . . A 96 GLU HA . 34143 1 1089 . 1 1 96 96 GLU HB2 H 1 2.050 0.000 . . . . . A 96 GLU HB2 . 34143 1 1090 . 1 1 96 96 GLU HB3 H 1 1.936 0.000 . . . . . A 96 GLU HB3 . 34143 1 1091 . 1 1 96 96 GLU HG2 H 1 2.304 0.000 . . . . . A 96 GLU HG2 . 34143 1 1092 . 1 1 96 96 GLU HG3 H 1 2.263 0.000 . . . . . A 96 GLU HG3 . 34143 1 1093 . 1 1 96 96 GLU C C 13 176.941 0.004 . . . . . A 96 GLU C . 34143 1 1094 . 1 1 96 96 GLU CA C 13 56.573 0.037 . . . . . A 96 GLU CA . 34143 1 1095 . 1 1 96 96 GLU CB C 13 30.668 0.012 . . . . . A 96 GLU CB . 34143 1 1096 . 1 1 96 96 GLU CG C 13 36.383 0.026 . . . . . A 96 GLU CG . 34143 1 1097 . 1 1 96 96 GLU N N 15 121.719 0.029 . . . . . A 96 GLU N . 34143 1 1098 . 1 1 97 97 GLY H H 1 8.346 0.003 . . . . . A 97 GLY H . 34143 1 1099 . 1 1 97 97 GLY HA2 H 1 4.006 0.006 . . . . . A 97 GLY HA2 . 34143 1 1100 . 1 1 97 97 GLY HA3 H 1 3.902 0.007 . . . . . A 97 GLY HA3 . 34143 1 1101 . 1 1 97 97 GLY C C 13 173.741 0.007 . . . . . A 97 GLY C . 34143 1 1102 . 1 1 97 97 GLY CA C 13 45.133 0.086 . . . . . A 97 GLY CA . 34143 1 1103 . 1 1 97 97 GLY N N 15 110.111 0.009 . . . . . A 97 GLY N . 34143 1 1104 . 1 1 98 98 GLU H H 1 8.322 0.002 . . . . . A 98 GLU H . 34143 1 1105 . 1 1 98 98 GLU HA H 1 4.338 0.006 . . . . . A 98 GLU HA . 34143 1 1106 . 1 1 98 98 GLU HB2 H 1 2.048 0.000 . . . . . A 98 GLU HB2 . 34143 1 1107 . 1 1 98 98 GLU HB3 H 1 1.896 0.000 . . . . . A 98 GLU HB3 . 34143 1 1108 . 1 1 98 98 GLU HG2 H 1 2.218 0.000 . . . . . A 98 GLU HG2 . 34143 1 1109 . 1 1 98 98 GLU HG3 H 1 2.218 0.000 . . . . . A 98 GLU HG3 . 34143 1 1110 . 1 1 98 98 GLU C C 13 175.833 0.002 . . . . . A 98 GLU C . 34143 1 1111 . 1 1 98 98 GLU CA C 13 56.552 0.036 . . . . . A 98 GLU CA . 34143 1 1112 . 1 1 98 98 GLU CB C 13 30.544 0.019 . . . . . A 98 GLU CB . 34143 1 1113 . 1 1 98 98 GLU CG C 13 36.334 0.000 . . . . . A 98 GLU CG . 34143 1 1114 . 1 1 98 98 GLU N N 15 121.271 0.011 . . . . . A 98 GLU N . 34143 1 1115 . 1 1 99 99 VAL H H 1 7.779 0.001 . . . . . A 99 VAL H . 34143 1 1116 . 1 1 99 99 VAL HA H 1 4.031 0.000 . . . . . A 99 VAL HA . 34143 1 1117 . 1 1 99 99 VAL HB H 1 2.063 0.002 . . . . . A 99 VAL HB . 34143 1 1118 . 1 1 99 99 VAL HG11 H 1 0.879 0.000 . . . . . A 99 VAL HG11 . 34143 1 1119 . 1 1 99 99 VAL HG12 H 1 0.879 0.000 . . . . . A 99 VAL HG12 . 34143 1 1120 . 1 1 99 99 VAL HG13 H 1 0.879 0.000 . . . . . A 99 VAL HG13 . 34143 1 1121 . 1 1 99 99 VAL HG21 H 1 0.854 0.000 . . . . . A 99 VAL HG21 . 34143 1 1122 . 1 1 99 99 VAL HG22 H 1 0.854 0.000 . . . . . A 99 VAL HG22 . 34143 1 1123 . 1 1 99 99 VAL HG23 H 1 0.854 0.000 . . . . . A 99 VAL HG23 . 34143 1 1124 . 1 1 99 99 VAL C C 13 172.098 0.000 . . . . . A 99 VAL C . 34143 1 1125 . 1 1 99 99 VAL CA C 13 63.574 0.068 . . . . . A 99 VAL CA . 34143 1 1126 . 1 1 99 99 VAL CB C 13 33.303 0.042 . . . . . A 99 VAL CB . 34143 1 1127 . 1 1 99 99 VAL CG1 C 13 21.569 0.056 . . . . . A 99 VAL CG1 . 34143 1 1128 . 1 1 99 99 VAL CG2 C 13 20.102 0.017 . . . . . A 99 VAL CG2 . 34143 1 1129 . 1 1 99 99 VAL N N 15 125.002 0.005 . . . . . A 99 VAL N . 34143 1 stop_ save_