data_25830 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25830 _Entry.Title ; Solution Structure of Lipid Transfer Protein From Pea Pisum Sativum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-09-30 _Entry.Accession_date 2015-09-30 _Entry.Last_release_date 2016-05-23 _Entry.Original_release_date 2016-05-23 _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 'NMR, 20 STRUCTURES' _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 Alexander Paramonov . S. . . 25830 2 Eugene Rumynskiy . I. . . 25830 3 Ivan Bogdanov . V. . . 25830 4 Tatiana Ovchinnikova . V. . . 25830 5 Zakhar Shenkarev . O. . . 25830 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25830 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID allergen . 25830 'antimicrobial activity' . 25830 'lipid binding' . 25830 'lipid transfer protein' . 25830 ltp . 25830 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25830 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 379 25830 '15N chemical shifts' 96 25830 '1H chemical shifts' 623 25830 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 . . 2016-05-23 . original BMRB . 25830 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID GB KJ569141 . 25830 PDB 2N81 'BMRB Entry Tracking System' 25830 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 25830 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27137920 _Citation.Full_citation . _Citation.Title ; A novel lipid transfer protein from the pea Pisum sativum: isolation, recombinant expression, solution structure, antifungal activity, lipid binding, and allergenic properties ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'BMC Plant Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 107 _Citation.Page_last 107 _Citation.Year 2016 _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 Ivan Bogdanov . V. . . 25830 1 2 Zakhar Shenkarev . O. . . 25830 1 3 Alexander Paramonov . S. . . 25830 1 4 Eugene Rumynskiy . I. . . 25830 1 5 Ekaterina Finkina . I. . . 25830 1 6 Daria Melnikova . N. . . 25830 1 7 Alexander Arseniev . S. . . 25830 1 8 Tatiana Ovchinnikova . V. . . 25830 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25830 _Assembly.ID 1 _Assembly.Name 'Lipid Transfer Protein From Pea Pisum Sativum' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PS-LTP1 1 $Ps-LTP1 A . yes native no no . . . 25830 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ps-LTP1 _Entity.Sf_category entity _Entity.Sf_framecode Ps-LTP1 _Entity.Entry_ID 25830 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ps-LTP1 _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 ; ALSCGTVSADLAPCVTYLQA PNNASPPPPCCAGVKKLLAA ATTTPDRQAACNCLKSAAGS IPKLNTNNAAALPGKCGVSI PYKISTSTNCNTVRF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation M11L _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9546.055 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes GB KJ569141 . Ps-LTP1 . . . . . . . . . . . . . . 25830 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 1 ALA . 25830 1 2 2 LEU . 25830 1 3 3 SER . 25830 1 4 4 CYS . 25830 1 5 5 GLY . 25830 1 6 6 THR . 25830 1 7 7 VAL . 25830 1 8 8 SER . 25830 1 9 9 ALA . 25830 1 10 10 ASP . 25830 1 11 11 LEU . 25830 1 12 12 ALA . 25830 1 13 13 PRO . 25830 1 14 14 CYS . 25830 1 15 15 VAL . 25830 1 16 16 THR . 25830 1 17 17 TYR . 25830 1 18 18 LEU . 25830 1 19 19 GLN . 25830 1 20 20 ALA . 25830 1 21 21 PRO . 25830 1 22 22 ASN . 25830 1 23 23 ASN . 25830 1 24 24 ALA . 25830 1 25 25 SER . 25830 1 26 26 PRO . 25830 1 27 27 PRO . 25830 1 28 28 PRO . 25830 1 29 29 PRO . 25830 1 30 30 CYS . 25830 1 31 31 CYS . 25830 1 32 32 ALA . 25830 1 33 33 GLY . 25830 1 34 34 VAL . 25830 1 35 35 LYS . 25830 1 36 36 LYS . 25830 1 37 37 LEU . 25830 1 38 38 LEU . 25830 1 39 39 ALA . 25830 1 40 40 ALA . 25830 1 41 41 ALA . 25830 1 42 42 THR . 25830 1 43 43 THR . 25830 1 44 44 THR . 25830 1 45 45 PRO . 25830 1 46 46 ASP . 25830 1 47 47 ARG . 25830 1 48 48 GLN . 25830 1 49 49 ALA . 25830 1 50 50 ALA . 25830 1 51 51 CYS . 25830 1 52 52 ASN . 25830 1 53 53 CYS . 25830 1 54 54 LEU . 25830 1 55 55 LYS . 25830 1 56 56 SER . 25830 1 57 57 ALA . 25830 1 58 58 ALA . 25830 1 59 59 GLY . 25830 1 60 60 SER . 25830 1 61 61 ILE . 25830 1 62 62 PRO . 25830 1 63 63 LYS . 25830 1 64 64 LEU . 25830 1 65 65 ASN . 25830 1 66 66 THR . 25830 1 67 67 ASN . 25830 1 68 68 ASN . 25830 1 69 69 ALA . 25830 1 70 70 ALA . 25830 1 71 71 ALA . 25830 1 72 72 LEU . 25830 1 73 73 PRO . 25830 1 74 74 GLY . 25830 1 75 75 LYS . 25830 1 76 76 CYS . 25830 1 77 77 GLY . 25830 1 78 78 VAL . 25830 1 79 79 SER . 25830 1 80 80 ILE . 25830 1 81 81 PRO . 25830 1 82 82 TYR . 25830 1 83 83 LYS . 25830 1 84 84 ILE . 25830 1 85 85 SER . 25830 1 86 86 THR . 25830 1 87 87 SER . 25830 1 88 88 THR . 25830 1 89 89 ASN . 25830 1 90 90 CYS . 25830 1 91 91 ASN . 25830 1 92 92 THR . 25830 1 93 93 VAL . 25830 1 94 94 ARG . 25830 1 95 95 PHE . 25830 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 . ALA 1 1 25830 1 . LEU 2 2 25830 1 . SER 3 3 25830 1 . CYS 4 4 25830 1 . GLY 5 5 25830 1 . THR 6 6 25830 1 . VAL 7 7 25830 1 . SER 8 8 25830 1 . ALA 9 9 25830 1 . ASP 10 10 25830 1 . LEU 11 11 25830 1 . ALA 12 12 25830 1 . PRO 13 13 25830 1 . CYS 14 14 25830 1 . VAL 15 15 25830 1 . THR 16 16 25830 1 . TYR 17 17 25830 1 . LEU 18 18 25830 1 . GLN 19 19 25830 1 . ALA 20 20 25830 1 . PRO 21 21 25830 1 . ASN 22 22 25830 1 . ASN 23 23 25830 1 . ALA 24 24 25830 1 . SER 25 25 25830 1 . PRO 26 26 25830 1 . PRO 27 27 25830 1 . PRO 28 28 25830 1 . PRO 29 29 25830 1 . CYS 30 30 25830 1 . CYS 31 31 25830 1 . ALA 32 32 25830 1 . GLY 33 33 25830 1 . VAL 34 34 25830 1 . LYS 35 35 25830 1 . LYS 36 36 25830 1 . LEU 37 37 25830 1 . LEU 38 38 25830 1 . ALA 39 39 25830 1 . ALA 40 40 25830 1 . ALA 41 41 25830 1 . THR 42 42 25830 1 . THR 43 43 25830 1 . THR 44 44 25830 1 . PRO 45 45 25830 1 . ASP 46 46 25830 1 . ARG 47 47 25830 1 . GLN 48 48 25830 1 . ALA 49 49 25830 1 . ALA 50 50 25830 1 . CYS 51 51 25830 1 . ASN 52 52 25830 1 . CYS 53 53 25830 1 . LEU 54 54 25830 1 . LYS 55 55 25830 1 . SER 56 56 25830 1 . ALA 57 57 25830 1 . ALA 58 58 25830 1 . GLY 59 59 25830 1 . SER 60 60 25830 1 . ILE 61 61 25830 1 . PRO 62 62 25830 1 . LYS 63 63 25830 1 . LEU 64 64 25830 1 . ASN 65 65 25830 1 . THR 66 66 25830 1 . ASN 67 67 25830 1 . ASN 68 68 25830 1 . ALA 69 69 25830 1 . ALA 70 70 25830 1 . ALA 71 71 25830 1 . LEU 72 72 25830 1 . PRO 73 73 25830 1 . GLY 74 74 25830 1 . LYS 75 75 25830 1 . CYS 76 76 25830 1 . GLY 77 77 25830 1 . VAL 78 78 25830 1 . SER 79 79 25830 1 . ILE 80 80 25830 1 . PRO 81 81 25830 1 . TYR 82 82 25830 1 . LYS 83 83 25830 1 . ILE 84 84 25830 1 . SER 85 85 25830 1 . THR 86 86 25830 1 . SER 87 87 25830 1 . THR 88 88 25830 1 . ASN 89 89 25830 1 . CYS 90 90 25830 1 . ASN 91 91 25830 1 . THR 92 92 25830 1 . VAL 93 93 25830 1 . ARG 94 94 25830 1 . PHE 95 95 25830 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 25830 _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 $Ps-LTP1 . 3888 organism . 'Pisum sativum' pea . . Eukaryota Viridiplantae Pisum sativum . 'Sacharniy 2' . . . . . . . . . . . 25830 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 25830 _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 $Ps-LTP1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 Star(DE3) . . . . pET-His8-TrxL-Ps-LTP1 . . . 25830 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25830 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 PS-LTP1 '[U-98% 13C; U-98% 15N]' . . 1 $Ps-LTP1 . . 1 . . mM . . . . 25830 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25830 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25830 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 25830 _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' 10 . mM 25830 1 pH 5.5 . pH 25830 1 pressure 1 . atm 25830 1 temperature 303 . K 25830 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25830 _Software.ID 1 _Software.Name CARA _Software.Version 1.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25830 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25830 1 'chemical shift calculation' 25830 1 'peak picking' 25830 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25830 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25830 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25830 2 processing 25830 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25830 _Software.ID 3 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25830 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25830 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25830 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25830 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 25830 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 25830 _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 $spectrometer_1 . . . . . . . . . . . . . . . . 25830 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25830 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25830 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25830 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25830 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25830 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25830 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25830 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25830 1 10 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25830 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25830 _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 TMS 'methyl carbon' . . . . ppm 0 na direct 1 . . . . . 25830 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25830 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25830 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25830 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 5 '3D HNCACB' . . . 25830 1 8 '3D 1H-15N TOCSY' . . . 25830 1 9 '3D HCCH-TOCSY' . . . 25830 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CARA . . 25830 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.125 0.010 . 1 . . . A 1 ALA HA . 25830 1 2 . 1 1 1 1 ALA HB1 H 1 1.432 0.010 . 1 . . . A 1 ALA HB1 . 25830 1 3 . 1 1 1 1 ALA HB2 H 1 1.432 0.010 . 1 . . . A 1 ALA HB2 . 25830 1 4 . 1 1 1 1 ALA HB3 H 1 1.432 0.010 . 1 . . . A 1 ALA HB3 . 25830 1 5 . 1 1 1 1 ALA C C 13 170.618 0.100 . 1 . . . A 1 ALA C . 25830 1 6 . 1 1 1 1 ALA CA C 13 48.976 0.100 . 1 . . . A 1 ALA CA . 25830 1 7 . 1 1 1 1 ALA CB C 13 16.692 0.100 . 1 . . . A 1 ALA CB . 25830 1 8 . 1 1 2 2 LEU H H 1 8.368 0.010 . 1 . . . A 2 LEU H . 25830 1 9 . 1 1 2 2 LEU HA H 1 4.344 0.010 . 1 . . . A 2 LEU HA . 25830 1 10 . 1 1 2 2 LEU HB2 H 1 1.398 0.010 . 1 . . . A 2 LEU HB2 . 25830 1 11 . 1 1 2 2 LEU HB3 H 1 1.590 0.010 . 1 . . . A 2 LEU HB3 . 25830 1 12 . 1 1 2 2 LEU HG H 1 1.499 0.010 . 1 . . . A 2 LEU HG . 25830 1 13 . 1 1 2 2 LEU HD11 H 1 0.836 0.010 . 1 . . . A 2 LEU HD11 . 25830 1 14 . 1 1 2 2 LEU HD12 H 1 0.836 0.010 . 1 . . . A 2 LEU HD12 . 25830 1 15 . 1 1 2 2 LEU HD13 H 1 0.836 0.010 . 1 . . . A 2 LEU HD13 . 25830 1 16 . 1 1 2 2 LEU HD21 H 1 0.726 0.010 . 1 . . . A 2 LEU HD21 . 25830 1 17 . 1 1 2 2 LEU HD22 H 1 0.726 0.010 . 1 . . . A 2 LEU HD22 . 25830 1 18 . 1 1 2 2 LEU HD23 H 1 0.726 0.010 . 1 . . . A 2 LEU HD23 . 25830 1 19 . 1 1 2 2 LEU C C 13 172.388 0.100 . 1 . . . A 2 LEU C . 25830 1 20 . 1 1 2 2 LEU CA C 13 52.560 0.100 . 1 . . . A 2 LEU CA . 25830 1 21 . 1 1 2 2 LEU CB C 13 40.603 0.100 . 1 . . . A 2 LEU CB . 25830 1 22 . 1 1 2 2 LEU CG C 13 24.244 0.100 . 1 . . . A 2 LEU CG . 25830 1 23 . 1 1 2 2 LEU CD1 C 13 21.767 0.100 . 1 . . . A 2 LEU CD1 . 25830 1 24 . 1 1 2 2 LEU CD2 C 13 22.882 0.100 . 1 . . . A 2 LEU CD2 . 25830 1 25 . 1 1 2 2 LEU N N 15 123.438 0.100 . 1 . . . A 2 LEU N . 25830 1 26 . 1 1 3 3 SER H H 1 8.550 0.010 . 1 . . . A 3 SER H . 25830 1 27 . 1 1 3 3 SER HA H 1 4.748 0.010 . 1 . . . A 3 SER HA . 25830 1 28 . 1 1 3 3 SER HB2 H 1 4.087 0.010 . 2 . . . A 3 SER HB2 . 25830 1 29 . 1 1 3 3 SER HB3 H 1 3.909 0.010 . 2 . . . A 3 SER HB3 . 25830 1 30 . 1 1 3 3 SER C C 13 173.163 0.100 . 1 . . . A 3 SER C . 25830 1 31 . 1 1 3 3 SER CA C 13 53.523 0.100 . 1 . . . A 3 SER CA . 25830 1 32 . 1 1 3 3 SER CB C 13 62.412 0.100 . 1 . . . A 3 SER CB . 25830 1 33 . 1 1 3 3 SER N N 15 119.868 0.100 . 1 . . . A 3 SER N . 25830 1 34 . 1 1 4 4 CYS H H 1 9.222 0.010 . 1 . . . A 4 CYS H . 25830 1 35 . 1 1 4 4 CYS HA H 1 4.586 0.010 . 1 . . . A 4 CYS HA . 25830 1 36 . 1 1 4 4 CYS HB2 H 1 2.803 0.010 . 1 . . . A 4 CYS HB2 . 25830 1 37 . 1 1 4 4 CYS HB3 H 1 3.487 0.010 . 1 . . . A 4 CYS HB3 . 25830 1 38 . 1 1 4 4 CYS C C 13 175.067 0.100 . 1 . . . A 4 CYS C . 25830 1 39 . 1 1 4 4 CYS CA C 13 52.166 0.100 . 1 . . . A 4 CYS CA . 25830 1 40 . 1 1 4 4 CYS CB C 13 30.372 0.100 . 1 . . . A 4 CYS CB . 25830 1 41 . 1 1 4 4 CYS N N 15 120.408 0.100 . 1 . . . A 4 CYS N . 25830 1 42 . 1 1 5 5 GLY H H 1 8.721 0.010 . 1 . . . A 5 GLY H . 25830 1 43 . 1 1 5 5 GLY HA2 H 1 3.847 0.010 . 1 . . . A 5 GLY HA2 . 25830 1 44 . 1 1 5 5 GLY HA3 H 1 3.943 0.010 . 1 . . . A 5 GLY HA3 . 25830 1 45 . 1 1 5 5 GLY C C 13 174.023 0.100 . 1 . . . A 5 GLY C . 25830 1 46 . 1 1 5 5 GLY CA C 13 44.577 0.100 . 1 . . . A 5 GLY CA . 25830 1 47 . 1 1 5 5 GLY N N 15 110.663 0.100 . 1 . . . A 5 GLY N . 25830 1 48 . 1 1 6 6 THR H H 1 7.676 0.010 . 1 . . . A 6 THR H . 25830 1 49 . 1 1 6 6 THR HA H 1 4.031 0.010 . 1 . . . A 6 THR HA . 25830 1 50 . 1 1 6 6 THR HB H 1 4.301 0.010 . 1 . . . A 6 THR HB . 25830 1 51 . 1 1 6 6 THR HG21 H 1 1.183 0.010 . 1 . . . A 6 THR HG21 . 25830 1 52 . 1 1 6 6 THR HG22 H 1 1.183 0.010 . 1 . . . A 6 THR HG22 . 25830 1 53 . 1 1 6 6 THR HG23 H 1 1.183 0.010 . 1 . . . A 6 THR HG23 . 25830 1 54 . 1 1 6 6 THR C C 13 172.782 0.100 . 1 . . . A 6 THR C . 25830 1 55 . 1 1 6 6 THR CA C 13 62.801 0.100 . 1 . . . A 6 THR CA . 25830 1 56 . 1 1 6 6 THR CB C 13 65.896 0.100 . 1 . . . A 6 THR CB . 25830 1 57 . 1 1 6 6 THR CG2 C 13 19.261 0.100 . 1 . . . A 6 THR CG2 . 25830 1 58 . 1 1 6 6 THR N N 15 118.884 0.100 . 1 . . . A 6 THR N . 25830 1 59 . 1 1 7 7 VAL H H 1 7.280 0.010 . 1 . . . A 7 VAL H . 25830 1 60 . 1 1 7 7 VAL HA H 1 3.607 0.010 . 1 . . . A 7 VAL HA . 25830 1 61 . 1 1 7 7 VAL HB H 1 2.189 0.010 . 1 . . . A 7 VAL HB . 25830 1 62 . 1 1 7 7 VAL HG11 H 1 0.809 0.010 . 1 . . . A 7 VAL HG11 . 25830 1 63 . 1 1 7 7 VAL HG12 H 1 0.809 0.010 . 1 . . . A 7 VAL HG12 . 25830 1 64 . 1 1 7 7 VAL HG13 H 1 0.809 0.010 . 1 . . . A 7 VAL HG13 . 25830 1 65 . 1 1 7 7 VAL HG21 H 1 1.020 0.010 . 1 . . . A 7 VAL HG21 . 25830 1 66 . 1 1 7 7 VAL HG22 H 1 1.020 0.010 . 1 . . . A 7 VAL HG22 . 25830 1 67 . 1 1 7 7 VAL HG23 H 1 1.020 0.010 . 1 . . . A 7 VAL HG23 . 25830 1 68 . 1 1 7 7 VAL C C 13 174.356 0.100 . 1 . . . A 7 VAL C . 25830 1 69 . 1 1 7 7 VAL CA C 13 63.774 0.100 . 1 . . . A 7 VAL CA . 25830 1 70 . 1 1 7 7 VAL CB C 13 28.610 0.100 . 1 . . . A 7 VAL CB . 25830 1 71 . 1 1 7 7 VAL CG1 C 13 18.347 0.100 . 1 . . . A 7 VAL CG1 . 25830 1 72 . 1 1 7 7 VAL CG2 C 13 20.018 0.100 . 1 . . . A 7 VAL CG2 . 25830 1 73 . 1 1 7 7 VAL N N 15 120.789 0.100 . 1 . . . A 7 VAL N . 25830 1 74 . 1 1 8 8 SER H H 1 8.501 0.010 . 1 . . . A 8 SER H . 25830 1 75 . 1 1 8 8 SER HA H 1 3.858 0.010 . 1 . . . A 8 SER HA . 25830 1 76 . 1 1 8 8 SER HB2 H 1 3.873 0.010 . 1 . . . A 8 SER HB2 . 25830 1 77 . 1 1 8 8 SER HB3 H 1 3.873 0.010 . 1 . . . A 8 SER HB3 . 25830 1 78 . 1 1 8 8 SER C C 13 173.948 0.100 . 1 . . . A 8 SER C . 25830 1 79 . 1 1 8 8 SER CA C 13 59.791 0.100 . 1 . . . A 8 SER CA . 25830 1 80 . 1 1 8 8 SER CB C 13 59.242 0.100 . 1 . . . A 8 SER CB . 25830 1 81 . 1 1 8 8 SER N N 15 114.047 0.100 . 1 . . . A 8 SER N . 25830 1 82 . 1 1 9 9 ALA H H 1 7.685 0.010 . 1 . . . A 9 ALA H . 25830 1 83 . 1 1 9 9 ALA HA H 1 4.165 0.010 . 1 . . . A 9 ALA HA . 25830 1 84 . 1 1 9 9 ALA HB1 H 1 1.454 0.010 . 1 . . . A 9 ALA HB1 . 25830 1 85 . 1 1 9 9 ALA HB2 H 1 1.454 0.010 . 1 . . . A 9 ALA HB2 . 25830 1 86 . 1 1 9 9 ALA HB3 H 1 1.454 0.010 . 1 . . . A 9 ALA HB3 . 25830 1 87 . 1 1 9 9 ALA C C 13 177.740 0.100 . 1 . . . A 9 ALA C . 25830 1 88 . 1 1 9 9 ALA CA C 13 52.218 0.100 . 1 . . . A 9 ALA CA . 25830 1 89 . 1 1 9 9 ALA CB C 13 15.348 0.100 . 1 . . . A 9 ALA CB . 25830 1 90 . 1 1 9 9 ALA N N 15 123.669 0.100 . 1 . . . A 9 ALA N . 25830 1 91 . 1 1 10 10 ASP H H 1 8.161 0.010 . 1 . . . A 10 ASP H . 25830 1 92 . 1 1 10 10 ASP HA H 1 4.414 0.010 . 1 . . . A 10 ASP HA . 25830 1 93 . 1 1 10 10 ASP HB2 H 1 2.830 0.010 . 1 . . . A 10 ASP HB2 . 25830 1 94 . 1 1 10 10 ASP HB3 H 1 2.830 0.010 . 1 . . . A 10 ASP HB3 . 25830 1 95 . 1 1 10 10 ASP C C 13 173.327 0.100 . 1 . . . A 10 ASP C . 25830 1 96 . 1 1 10 10 ASP CA C 13 53.357 0.100 . 1 . . . A 10 ASP CA . 25830 1 97 . 1 1 10 10 ASP CB C 13 35.579 0.100 . 1 . . . A 10 ASP CB . 25830 1 98 . 1 1 10 10 ASP N N 15 118.653 0.100 . 1 . . . A 10 ASP N . 25830 1 99 . 1 1 11 11 LEU H H 1 7.731 0.010 . 1 . . . A 11 LEU H . 25830 1 100 . 1 1 11 11 LEU HA H 1 4.183 0.010 . 1 . . . A 11 LEU HA . 25830 1 101 . 1 1 11 11 LEU HB2 H 1 1.574 0.010 . 2 . . . A 11 LEU HB2 . 25830 1 102 . 1 1 11 11 LEU HB3 H 1 1.421 0.010 . 2 . . . A 11 LEU HB3 . 25830 1 103 . 1 1 11 11 LEU HG H 1 1.717 0.010 . 1 . . . A 11 LEU HG . 25830 1 104 . 1 1 11 11 LEU HD11 H 1 0.612 0.010 . 2 . . . A 11 LEU HD11 . 25830 1 105 . 1 1 11 11 LEU HD12 H 1 0.612 0.010 . 2 . . . A 11 LEU HD12 . 25830 1 106 . 1 1 11 11 LEU HD13 H 1 0.612 0.010 . 2 . . . A 11 LEU HD13 . 25830 1 107 . 1 1 11 11 LEU HD21 H 1 0.657 0.010 . 2 . . . A 11 LEU HD21 . 25830 1 108 . 1 1 11 11 LEU HD22 H 1 0.657 0.010 . 2 . . . A 11 LEU HD22 . 25830 1 109 . 1 1 11 11 LEU HD23 H 1 0.657 0.010 . 2 . . . A 11 LEU HD23 . 25830 1 110 . 1 1 11 11 LEU C C 13 175.206 0.100 . 1 . . . A 11 LEU C . 25830 1 111 . 1 1 11 11 LEU CA C 13 51.360 0.100 . 1 . . . A 11 LEU CA . 25830 1 112 . 1 1 11 11 LEU CB C 13 40.185 0.100 . 1 . . . A 11 LEU CB . 25830 1 113 . 1 1 11 11 LEU CG C 13 24.393 0.100 . 1 . . . A 11 LEU CG . 25830 1 114 . 1 1 11 11 LEU CD1 C 13 21.149 0.100 . 1 . . . A 11 LEU CD1 . 25830 1 115 . 1 1 11 11 LEU CD2 C 13 21.256 0.100 . 1 . . . A 11 LEU CD2 . 25830 1 116 . 1 1 11 11 LEU N N 15 115.104 0.100 . 1 . . . A 11 LEU N . 25830 1 117 . 1 1 12 12 ALA H H 1 7.481 0.010 . 1 . . . A 12 ALA H . 25830 1 118 . 1 1 12 12 ALA HA H 1 4.309 0.010 . 1 . . . A 12 ALA HA . 25830 1 119 . 1 1 12 12 ALA HB1 H 1 1.565 0.010 . 1 . . . A 12 ALA HB1 . 25830 1 120 . 1 1 12 12 ALA HB2 H 1 1.565 0.010 . 1 . . . A 12 ALA HB2 . 25830 1 121 . 1 1 12 12 ALA HB3 H 1 1.565 0.010 . 1 . . . A 12 ALA HB3 . 25830 1 122 . 1 1 12 12 ALA C C 13 174.540 0.100 . 1 . . . A 12 ALA C . 25830 1 123 . 1 1 12 12 ALA CA C 13 54.075 0.100 . 1 . . . A 12 ALA CA . 25830 1 124 . 1 1 12 12 ALA CB C 13 13.256 0.100 . 1 . . . A 12 ALA CB . 25830 1 125 . 1 1 12 12 ALA N N 15 124.133 0.100 . 1 . . . A 12 ALA N . 25830 1 126 . 1 1 13 13 PRO HA H 1 4.674 0.010 . 1 . . . A 13 PRO HA . 25830 1 127 . 1 1 13 13 PRO HB2 H 1 2.422 0.010 . 2 . . . A 13 PRO HB2 . 25830 1 128 . 1 1 13 13 PRO HB3 H 1 1.373 0.010 . 2 . . . A 13 PRO HB3 . 25830 1 129 . 1 1 13 13 PRO HG2 H 1 1.910 0.010 . 2 . . . A 13 PRO HG2 . 25830 1 130 . 1 1 13 13 PRO HG3 H 1 1.986 0.010 . 2 . . . A 13 PRO HG3 . 25830 1 131 . 1 1 13 13 PRO HD2 H 1 3.721 0.010 . 2 . . . A 13 PRO HD2 . 25830 1 132 . 1 1 13 13 PRO HD3 H 1 3.683 0.010 . 2 . . . A 13 PRO HD3 . 25830 1 133 . 1 1 13 13 PRO C C 13 174.824 0.100 . 1 . . . A 13 PRO C . 25830 1 134 . 1 1 13 13 PRO CA C 13 61.982 0.100 . 1 . . . A 13 PRO CA . 25830 1 135 . 1 1 13 13 PRO CB C 13 28.804 0.100 . 1 . . . A 13 PRO CB . 25830 1 136 . 1 1 13 13 PRO CG C 13 25.510 0.100 . 1 . . . A 13 PRO CG . 25830 1 137 . 1 1 13 13 PRO CD C 13 48.326 0.100 . 1 . . . A 13 PRO CD . 25830 1 138 . 1 1 14 14 CYS H H 1 8.938 0.010 . 1 . . . A 14 CYS H . 25830 1 139 . 1 1 14 14 CYS HA H 1 4.722 0.010 . 1 . . . A 14 CYS HA . 25830 1 140 . 1 1 14 14 CYS HB2 H 1 3.258 0.010 . 1 . . . A 14 CYS HB2 . 25830 1 141 . 1 1 14 14 CYS HB3 H 1 3.189 0.010 . 1 . . . A 14 CYS HB3 . 25830 1 142 . 1 1 14 14 CYS C C 13 172.376 0.100 . 1 . . . A 14 CYS C . 25830 1 143 . 1 1 14 14 CYS CA C 13 51.481 0.100 . 1 . . . A 14 CYS CA . 25830 1 144 . 1 1 14 14 CYS CB C 13 39.508 0.100 . 1 . . . A 14 CYS CB . 25830 1 145 . 1 1 14 14 CYS N N 15 114.225 0.100 . 1 . . . A 14 CYS N . 25830 1 146 . 1 1 15 15 VAL H H 1 7.767 0.010 . 1 . . . A 15 VAL H . 25830 1 147 . 1 1 15 15 VAL HA H 1 3.350 0.010 . 1 . . . A 15 VAL HA . 25830 1 148 . 1 1 15 15 VAL HB H 1 2.143 0.010 . 1 . . . A 15 VAL HB . 25830 1 149 . 1 1 15 15 VAL HG11 H 1 0.849 0.010 . 1 . . . A 15 VAL HG11 . 25830 1 150 . 1 1 15 15 VAL HG12 H 1 0.849 0.010 . 1 . . . A 15 VAL HG12 . 25830 1 151 . 1 1 15 15 VAL HG13 H 1 0.849 0.010 . 1 . . . A 15 VAL HG13 . 25830 1 152 . 1 1 15 15 VAL HG21 H 1 1.078 0.010 . 1 . . . A 15 VAL HG21 . 25830 1 153 . 1 1 15 15 VAL HG22 H 1 1.078 0.010 . 1 . . . A 15 VAL HG22 . 25830 1 154 . 1 1 15 15 VAL HG23 H 1 1.078 0.010 . 1 . . . A 15 VAL HG23 . 25830 1 155 . 1 1 15 15 VAL C C 13 173.644 0.100 . 1 . . . A 15 VAL C . 25830 1 156 . 1 1 15 15 VAL CA C 13 66.608 0.100 . 1 . . . A 15 VAL CA . 25830 1 157 . 1 1 15 15 VAL CB C 13 28.692 0.100 . 1 . . . A 15 VAL CB . 25830 1 158 . 1 1 15 15 VAL CG1 C 13 18.097 0.100 . 1 . . . A 15 VAL CG1 . 25830 1 159 . 1 1 15 15 VAL CG2 C 13 20.753 0.100 . 1 . . . A 15 VAL CG2 . 25830 1 160 . 1 1 15 15 VAL N N 15 122.488 0.100 . 1 . . . A 15 VAL N . 25830 1 161 . 1 1 16 16 THR H H 1 8.258 0.010 . 1 . . . A 16 THR H . 25830 1 162 . 1 1 16 16 THR HA H 1 4.012 0.010 . 1 . . . A 16 THR HA . 25830 1 163 . 1 1 16 16 THR HB H 1 4.261 0.010 . 1 . . . A 16 THR HB . 25830 1 164 . 1 1 16 16 THR HG21 H 1 1.277 0.010 . 1 . . . A 16 THR HG21 . 25830 1 165 . 1 1 16 16 THR HG22 H 1 1.277 0.010 . 1 . . . A 16 THR HG22 . 25830 1 166 . 1 1 16 16 THR HG23 H 1 1.277 0.010 . 1 . . . A 16 THR HG23 . 25830 1 167 . 1 1 16 16 THR C C 13 175.021 0.100 . 1 . . . A 16 THR C . 25830 1 168 . 1 1 16 16 THR CA C 13 63.879 0.100 . 1 . . . A 16 THR CA . 25830 1 169 . 1 1 16 16 THR CB C 13 65.364 0.100 . 1 . . . A 16 THR CB . 25830 1 170 . 1 1 16 16 THR CG2 C 13 19.524 0.100 . 1 . . . A 16 THR CG2 . 25830 1 171 . 1 1 16 16 THR N N 15 112.169 0.100 . 1 . . . A 16 THR N . 25830 1 172 . 1 1 17 17 TYR H H 1 8.280 0.010 . 1 . . . A 17 TYR H . 25830 1 173 . 1 1 17 17 TYR HA H 1 4.265 0.010 . 1 . . . A 17 TYR HA . 25830 1 174 . 1 1 17 17 TYR HB2 H 1 3.285 0.010 . 1 . . . A 17 TYR HB2 . 25830 1 175 . 1 1 17 17 TYR HB3 H 1 3.093 0.010 . 1 . . . A 17 TYR HB3 . 25830 1 176 . 1 1 17 17 TYR HD1 H 1 6.800 0.010 . 1 . . . A 17 TYR HD1 . 25830 1 177 . 1 1 17 17 TYR HD2 H 1 6.800 0.010 . 1 . . . A 17 TYR HD2 . 25830 1 178 . 1 1 17 17 TYR HE1 H 1 6.534 0.010 . 1 . . . A 17 TYR HE1 . 25830 1 179 . 1 1 17 17 TYR HE2 H 1 6.534 0.010 . 1 . . . A 17 TYR HE2 . 25830 1 180 . 1 1 17 17 TYR C C 13 174.326 0.100 . 1 . . . A 17 TYR C . 25830 1 181 . 1 1 17 17 TYR CA C 13 58.001 0.100 . 1 . . . A 17 TYR CA . 25830 1 182 . 1 1 17 17 TYR CB C 13 35.252 0.100 . 1 . . . A 17 TYR CB . 25830 1 183 . 1 1 17 17 TYR CD2 C 13 130.617 0.100 . 1 . . . A 17 TYR CD2 . 25830 1 184 . 1 1 17 17 TYR CE2 C 13 116.300 0.100 . 1 . . . A 17 TYR CE2 . 25830 1 185 . 1 1 17 17 TYR N N 15 124.563 0.100 . 1 . . . A 17 TYR N . 25830 1 186 . 1 1 18 18 LEU H H 1 8.394 0.010 . 1 . . . A 18 LEU H . 25830 1 187 . 1 1 18 18 LEU HA H 1 3.630 0.010 . 1 . . . A 18 LEU HA . 25830 1 188 . 1 1 18 18 LEU HB2 H 1 2.026 0.010 . 1 . . . A 18 LEU HB2 . 25830 1 189 . 1 1 18 18 LEU HB3 H 1 1.438 0.010 . 1 . . . A 18 LEU HB3 . 25830 1 190 . 1 1 18 18 LEU HG H 1 1.943 0.010 . 1 . . . A 18 LEU HG . 25830 1 191 . 1 1 18 18 LEU HD11 H 1 0.671 0.010 . 2 . . . A 18 LEU HD11 . 25830 1 192 . 1 1 18 18 LEU HD12 H 1 0.671 0.010 . 2 . . . A 18 LEU HD12 . 25830 1 193 . 1 1 18 18 LEU HD13 H 1 0.671 0.010 . 2 . . . A 18 LEU HD13 . 25830 1 194 . 1 1 18 18 LEU HD21 H 1 0.797 0.010 . 2 . . . A 18 LEU HD21 . 25830 1 195 . 1 1 18 18 LEU HD22 H 1 0.797 0.010 . 2 . . . A 18 LEU HD22 . 25830 1 196 . 1 1 18 18 LEU HD23 H 1 0.797 0.010 . 2 . . . A 18 LEU HD23 . 25830 1 197 . 1 1 18 18 LEU C C 13 172.858 0.100 . 1 . . . A 18 LEU C . 25830 1 198 . 1 1 18 18 LEU CA C 13 54.171 0.100 . 1 . . . A 18 LEU CA . 25830 1 199 . 1 1 18 18 LEU CB C 13 38.310 0.100 . 1 . . . A 18 LEU CB . 25830 1 200 . 1 1 18 18 LEU CG C 13 24.083 0.100 . 1 . . . A 18 LEU CG . 25830 1 201 . 1 1 18 18 LEU CD1 C 13 22.475 0.100 . 1 . . . A 18 LEU CD1 . 25830 1 202 . 1 1 18 18 LEU CD2 C 13 19.706 0.100 . 1 . . . A 18 LEU CD2 . 25830 1 203 . 1 1 18 18 LEU N N 15 119.213 0.100 . 1 . . . A 18 LEU N . 25830 1 204 . 1 1 19 19 GLN H H 1 7.319 0.010 . 1 . . . A 19 GLN H . 25830 1 205 . 1 1 19 19 GLN HA H 1 4.582 0.010 . 1 . . . A 19 GLN HA . 25830 1 206 . 1 1 19 19 GLN HB2 H 1 1.981 0.010 . 2 . . . A 19 GLN HB2 . 25830 1 207 . 1 1 19 19 GLN HB3 H 1 2.047 0.010 . 2 . . . A 19 GLN HB3 . 25830 1 208 . 1 1 19 19 GLN HG2 H 1 2.377 0.010 . 2 . . . A 19 GLN HG2 . 25830 1 209 . 1 1 19 19 GLN HG3 H 1 2.148 0.010 . 2 . . . A 19 GLN HG3 . 25830 1 210 . 1 1 19 19 GLN HE21 H 1 6.842 0.010 . 2 . . . A 19 GLN HE21 . 25830 1 211 . 1 1 19 19 GLN HE22 H 1 7.570 0.010 . 2 . . . A 19 GLN HE22 . 25830 1 212 . 1 1 19 19 GLN C C 13 172.754 0.100 . 1 . . . A 19 GLN C . 25830 1 213 . 1 1 19 19 GLN CA C 13 52.320 0.100 . 1 . . . A 19 GLN CA . 25830 1 214 . 1 1 19 19 GLN CB C 13 27.954 0.100 . 1 . . . A 19 GLN CB . 25830 1 215 . 1 1 19 19 GLN CG C 13 31.283 0.100 . 1 . . . A 19 GLN CG . 25830 1 216 . 1 1 19 19 GLN N N 15 114.782 0.100 . 1 . . . A 19 GLN N . 25830 1 217 . 1 1 19 19 GLN NE2 N 15 111.330 0.100 . 1 . . . A 19 GLN NE2 . 25830 1 218 . 1 1 20 20 ALA H H 1 7.292 0.010 . 1 . . . A 20 ALA H . 25830 1 219 . 1 1 20 20 ALA HA H 1 4.494 0.010 . 1 . . . A 20 ALA HA . 25830 1 220 . 1 1 20 20 ALA HB1 H 1 1.489 0.010 . 1 . . . A 20 ALA HB1 . 25830 1 221 . 1 1 20 20 ALA HB2 H 1 1.489 0.010 . 1 . . . A 20 ALA HB2 . 25830 1 222 . 1 1 20 20 ALA HB3 H 1 1.489 0.010 . 1 . . . A 20 ALA HB3 . 25830 1 223 . 1 1 20 20 ALA C C 13 171.072 0.100 . 1 . . . A 20 ALA C . 25830 1 224 . 1 1 20 20 ALA CA C 13 48.862 0.100 . 1 . . . A 20 ALA CA . 25830 1 225 . 1 1 20 20 ALA CB C 13 15.610 0.100 . 1 . . . A 20 ALA CB . 25830 1 226 . 1 1 20 20 ALA N N 15 126.473 0.100 . 1 . . . A 20 ALA N . 25830 1 227 . 1 1 21 21 PRO HA H 1 4.440 0.010 . 1 . . . A 21 PRO HA . 25830 1 228 . 1 1 21 21 PRO HB2 H 1 2.438 0.010 . 2 . . . A 21 PRO HB2 . 25830 1 229 . 1 1 21 21 PRO HB3 H 1 1.937 0.010 . 2 . . . A 21 PRO HB3 . 25830 1 230 . 1 1 21 21 PRO HG2 H 1 1.916 0.010 . 2 . . . A 21 PRO HG2 . 25830 1 231 . 1 1 21 21 PRO HG3 H 1 2.016 0.010 . 2 . . . A 21 PRO HG3 . 25830 1 232 . 1 1 21 21 PRO HD2 H 1 3.784 0.010 . 2 . . . A 21 PRO HD2 . 25830 1 233 . 1 1 21 21 PRO HD3 H 1 3.521 0.010 . 2 . . . A 21 PRO HD3 . 25830 1 234 . 1 1 21 21 PRO C C 13 174.052 0.100 . 1 . . . A 21 PRO C . 25830 1 235 . 1 1 21 21 PRO CA C 13 59.522 0.100 . 1 . . . A 21 PRO CA . 25830 1 236 . 1 1 21 21 PRO CB C 13 29.853 0.100 . 1 . . . A 21 PRO CB . 25830 1 237 . 1 1 21 21 PRO CG C 13 25.272 0.100 . 1 . . . A 21 PRO CG . 25830 1 238 . 1 1 21 21 PRO CD C 13 48.160 0.100 . 1 . . . A 21 PRO CD . 25830 1 239 . 1 1 22 22 ASN H H 1 8.466 0.010 . 1 . . . A 22 ASN H . 25830 1 240 . 1 1 22 22 ASN HA H 1 4.754 0.010 . 1 . . . A 22 ASN HA . 25830 1 241 . 1 1 22 22 ASN HB2 H 1 2.711 0.010 . 1 . . . A 22 ASN HB2 . 25830 1 242 . 1 1 22 22 ASN HB3 H 1 2.815 0.010 . 1 . . . A 22 ASN HB3 . 25830 1 243 . 1 1 22 22 ASN HD21 H 1 7.456 0.010 . 1 . . . A 22 ASN HD21 . 25830 1 244 . 1 1 22 22 ASN HD22 H 1 6.693 0.010 . 1 . . . A 22 ASN HD22 . 25830 1 245 . 1 1 22 22 ASN C C 13 173.299 0.100 . 1 . . . A 22 ASN C . 25830 1 246 . 1 1 22 22 ASN CA C 13 51.478 0.100 . 1 . . . A 22 ASN CA . 25830 1 247 . 1 1 22 22 ASN CB C 13 35.291 0.100 . 1 . . . A 22 ASN CB . 25830 1 248 . 1 1 22 22 ASN N N 15 117.448 0.100 . 1 . . . A 22 ASN N . 25830 1 249 . 1 1 22 22 ASN ND2 N 15 109.479 0.100 . 1 . . . A 22 ASN ND2 . 25830 1 250 . 1 1 23 23 ASN H H 1 8.187 0.010 . 1 . . . A 23 ASN H . 25830 1 251 . 1 1 23 23 ASN HA H 1 4.555 0.010 . 1 . . . A 23 ASN HA . 25830 1 252 . 1 1 23 23 ASN HB2 H 1 2.825 0.010 . 2 . . . A 23 ASN HB2 . 25830 1 253 . 1 1 23 23 ASN HB3 H 1 3.008 0.010 . 2 . . . A 23 ASN HB3 . 25830 1 254 . 1 1 23 23 ASN HD21 H 1 7.548 0.010 . 1 . . . A 23 ASN HD21 . 25830 1 255 . 1 1 23 23 ASN HD22 H 1 6.816 0.010 . 1 . . . A 23 ASN HD22 . 25830 1 256 . 1 1 23 23 ASN C C 13 172.210 0.100 . 1 . . . A 23 ASN C . 25830 1 257 . 1 1 23 23 ASN CA C 13 50.626 0.100 . 1 . . . A 23 ASN CA . 25830 1 258 . 1 1 23 23 ASN CB C 13 34.278 0.100 . 1 . . . A 23 ASN CB . 25830 1 259 . 1 1 23 23 ASN N N 15 113.171 0.100 . 1 . . . A 23 ASN N . 25830 1 260 . 1 1 23 23 ASN ND2 N 15 112.190 0.100 . 1 . . . A 23 ASN ND2 . 25830 1 261 . 1 1 24 24 ALA H H 1 7.381 0.010 . 1 . . . A 24 ALA H . 25830 1 262 . 1 1 24 24 ALA HA H 1 4.394 0.010 . 1 . . . A 24 ALA HA . 25830 1 263 . 1 1 24 24 ALA HB1 H 1 1.529 0.010 . 1 . . . A 24 ALA HB1 . 25830 1 264 . 1 1 24 24 ALA HB2 H 1 1.529 0.010 . 1 . . . A 24 ALA HB2 . 25830 1 265 . 1 1 24 24 ALA HB3 H 1 1.529 0.010 . 1 . . . A 24 ALA HB3 . 25830 1 266 . 1 1 24 24 ALA C C 13 173.708 0.100 . 1 . . . A 24 ALA C . 25830 1 267 . 1 1 24 24 ALA CA C 13 49.696 0.100 . 1 . . . A 24 ALA CA . 25830 1 268 . 1 1 24 24 ALA CB C 13 18.288 0.100 . 1 . . . A 24 ALA CB . 25830 1 269 . 1 1 24 24 ALA N N 15 122.578 0.100 . 1 . . . A 24 ALA N . 25830 1 270 . 1 1 25 25 SER H H 1 8.649 0.010 . 1 . . . A 25 SER H . 25830 1 271 . 1 1 25 25 SER HA H 1 4.922 0.010 . 1 . . . A 25 SER HA . 25830 1 272 . 1 1 25 25 SER HB2 H 1 3.617 0.010 . 1 . . . A 25 SER HB2 . 25830 1 273 . 1 1 25 25 SER HB3 H 1 3.771 0.010 . 1 . . . A 25 SER HB3 . 25830 1 274 . 1 1 25 25 SER C C 13 181.107 0.100 . 1 . . . A 25 SER C . 25830 1 275 . 1 1 25 25 SER CA C 13 53.033 0.100 . 1 . . . A 25 SER CA . 25830 1 276 . 1 1 25 25 SER CB C 13 61.549 0.100 . 1 . . . A 25 SER CB . 25830 1 277 . 1 1 25 25 SER N N 15 115.237 0.100 . 1 . . . A 25 SER N . 25830 1 278 . 1 1 26 26 PRO HA H 1 4.014 0.010 . 1 . . . A 26 PRO HA . 25830 1 279 . 1 1 26 26 PRO HB2 H 1 1.281 0.010 . 2 . . . A 26 PRO HB2 . 25830 1 280 . 1 1 26 26 PRO HB3 H 1 0.876 0.010 . 2 . . . A 26 PRO HB3 . 25830 1 281 . 1 1 26 26 PRO HG2 H 1 1.182 0.010 . 2 . . . A 26 PRO HG2 . 25830 1 282 . 1 1 26 26 PRO HG3 H 1 1.747 0.010 . 2 . . . A 26 PRO HG3 . 25830 1 283 . 1 1 26 26 PRO HD2 H 1 3.604 0.010 . 2 . . . A 26 PRO HD2 . 25830 1 284 . 1 1 26 26 PRO HD3 H 1 2.964 0.010 . 2 . . . A 26 PRO HD3 . 25830 1 285 . 1 1 26 26 PRO CA C 13 57.292 0.100 . 1 . . . A 26 PRO CA . 25830 1 286 . 1 1 26 26 PRO CB C 13 27.450 0.100 . 1 . . . A 26 PRO CB . 25830 1 287 . 1 1 26 26 PRO CG C 13 24.162 0.100 . 1 . . . A 26 PRO CG . 25830 1 288 . 1 1 26 26 PRO CD C 13 47.131 0.100 . 1 . . . A 26 PRO CD . 25830 1 289 . 1 1 27 27 PRO HA H 1 4.881 0.010 . 1 . . . A 27 PRO HA . 25830 1 290 . 1 1 27 27 PRO HB2 H 1 2.026 0.010 . 1 . . . A 27 PRO HB2 . 25830 1 291 . 1 1 27 27 PRO HB3 H 1 2.427 0.010 . 1 . . . A 27 PRO HB3 . 25830 1 292 . 1 1 27 27 PRO HG2 H 1 1.912 0.010 . 2 . . . A 27 PRO HG2 . 25830 1 293 . 1 1 27 27 PRO HG3 H 1 2.383 0.010 . 2 . . . A 27 PRO HG3 . 25830 1 294 . 1 1 27 27 PRO HD2 H 1 3.993 0.010 . 2 . . . A 27 PRO HD2 . 25830 1 295 . 1 1 27 27 PRO HD3 H 1 3.414 0.010 . 2 . . . A 27 PRO HD3 . 25830 1 296 . 1 1 27 27 PRO CA C 13 58.500 0.100 . 1 . . . A 27 PRO CA . 25830 1 297 . 1 1 27 27 PRO CB C 13 28.489 0.100 . 1 . . . A 27 PRO CB . 25830 1 298 . 1 1 27 27 PRO CG C 13 25.113 0.100 . 1 . . . A 27 PRO CG . 25830 1 299 . 1 1 27 27 PRO CD C 13 48.062 0.100 . 1 . . . A 27 PRO CD . 25830 1 300 . 1 1 28 28 PRO HA H 1 4.421 0.010 . 1 . . . A 28 PRO HA . 25830 1 301 . 1 1 28 28 PRO HB2 H 1 2.352 0.010 . 2 . . . A 28 PRO HB2 . 25830 1 302 . 1 1 28 28 PRO HB3 H 1 2.090 0.010 . 2 . . . A 28 PRO HB3 . 25830 1 303 . 1 1 28 28 PRO HG2 H 1 2.255 0.010 . 2 . . . A 28 PRO HG2 . 25830 1 304 . 1 1 28 28 PRO HG3 H 1 2.062 0.010 . 2 . . . A 28 PRO HG3 . 25830 1 305 . 1 1 28 28 PRO HD2 H 1 3.990 0.010 . 2 . . . A 28 PRO HD2 . 25830 1 306 . 1 1 28 28 PRO HD3 H 1 3.701 0.010 . 2 . . . A 28 PRO HD3 . 25830 1 307 . 1 1 28 28 PRO CA C 13 64.505 0.100 . 1 . . . A 28 PRO CA . 25830 1 308 . 1 1 28 28 PRO CB C 13 26.217 0.100 . 1 . . . A 28 PRO CB . 25830 1 309 . 1 1 28 28 PRO CG C 13 24.931 0.100 . 1 . . . A 28 PRO CG . 25830 1 310 . 1 1 28 28 PRO CD C 13 47.521 0.100 . 1 . . . A 28 PRO CD . 25830 1 311 . 1 1 29 29 PRO HA H 1 4.477 0.010 . 1 . . . A 29 PRO HA . 25830 1 312 . 1 1 29 29 PRO HB2 H 1 1.768 0.010 . 1 . . . A 29 PRO HB2 . 25830 1 313 . 1 1 29 29 PRO HB3 H 1 2.424 0.010 . 1 . . . A 29 PRO HB3 . 25830 1 314 . 1 1 29 29 PRO HG2 H 1 2.039 0.010 . 1 . . . A 29 PRO HG2 . 25830 1 315 . 1 1 29 29 PRO HG3 H 1 2.039 0.010 . 1 . . . A 29 PRO HG3 . 25830 1 316 . 1 1 29 29 PRO HD2 H 1 3.754 0.010 . 2 . . . A 29 PRO HD2 . 25830 1 317 . 1 1 29 29 PRO HD3 H 1 3.385 0.010 . 2 . . . A 29 PRO HD3 . 25830 1 318 . 1 1 29 29 PRO C C 13 177.330 0.100 . 1 . . . A 29 PRO C . 25830 1 319 . 1 1 29 29 PRO CA C 13 62.883 0.100 . 1 . . . A 29 PRO CA . 25830 1 320 . 1 1 29 29 PRO CB C 13 28.301 0.100 . 1 . . . A 29 PRO CB . 25830 1 321 . 1 1 29 29 PRO CG C 13 25.712 0.100 . 1 . . . A 29 PRO CG . 25830 1 322 . 1 1 29 29 PRO CD C 13 47.927 0.100 . 1 . . . A 29 PRO CD . 25830 1 323 . 1 1 30 30 CYS H H 1 7.637 0.010 . 1 . . . A 30 CYS H . 25830 1 324 . 1 1 30 30 CYS HA H 1 4.456 0.010 . 1 . . . A 30 CYS HA . 25830 1 325 . 1 1 30 30 CYS HB2 H 1 2.960 0.010 . 1 . . . A 30 CYS HB2 . 25830 1 326 . 1 1 30 30 CYS HB3 H 1 3.166 0.010 . 1 . . . A 30 CYS HB3 . 25830 1 327 . 1 1 30 30 CYS C C 13 172.260 0.100 . 1 . . . A 30 CYS C . 25830 1 328 . 1 1 30 30 CYS CA C 13 55.585 0.100 . 1 . . . A 30 CYS CA . 25830 1 329 . 1 1 30 30 CYS CB C 13 34.602 0.100 . 1 . . . A 30 CYS CB . 25830 1 330 . 1 1 30 30 CYS N N 15 114.694 0.100 . 1 . . . A 30 CYS N . 25830 1 331 . 1 1 31 31 CYS H H 1 7.083 0.010 . 1 . . . A 31 CYS H . 25830 1 332 . 1 1 31 31 CYS HA H 1 4.607 0.010 . 1 . . . A 31 CYS HA . 25830 1 333 . 1 1 31 31 CYS HB2 H 1 2.711 0.010 . 1 . . . A 31 CYS HB2 . 25830 1 334 . 1 1 31 31 CYS HB3 H 1 3.052 0.010 . 1 . . . A 31 CYS HB3 . 25830 1 335 . 1 1 31 31 CYS C C 13 174.401 0.100 . 1 . . . A 31 CYS C . 25830 1 336 . 1 1 31 31 CYS CA C 13 51.858 0.100 . 1 . . . A 31 CYS CA . 25830 1 337 . 1 1 31 31 CYS CB C 13 29.979 0.100 . 1 . . . A 31 CYS CB . 25830 1 338 . 1 1 31 31 CYS N N 15 116.335 0.100 . 1 . . . A 31 CYS N . 25830 1 339 . 1 1 32 32 ALA H H 1 8.481 0.010 . 1 . . . A 32 ALA H . 25830 1 340 . 1 1 32 32 ALA HA H 1 4.070 0.010 . 1 . . . A 32 ALA HA . 25830 1 341 . 1 1 32 32 ALA HB1 H 1 1.412 0.010 . 1 . . . A 32 ALA HB1 . 25830 1 342 . 1 1 32 32 ALA HB2 H 1 1.412 0.010 . 1 . . . A 32 ALA HB2 . 25830 1 343 . 1 1 32 32 ALA HB3 H 1 1.412 0.010 . 1 . . . A 32 ALA HB3 . 25830 1 344 . 1 1 32 32 ALA C C 13 177.730 0.100 . 1 . . . A 32 ALA C . 25830 1 345 . 1 1 32 32 ALA CA C 13 52.557 0.100 . 1 . . . A 32 ALA CA . 25830 1 346 . 1 1 32 32 ALA CB C 13 15.204 0.100 . 1 . . . A 32 ALA CB . 25830 1 347 . 1 1 32 32 ALA N N 15 121.738 0.100 . 1 . . . A 32 ALA N . 25830 1 348 . 1 1 33 33 GLY H H 1 7.683 0.010 . 1 . . . A 33 GLY H . 25830 1 349 . 1 1 33 33 GLY HA2 H 1 3.782 0.010 . 1 . . . A 33 GLY HA2 . 25830 1 350 . 1 1 33 33 GLY HA3 H 1 4.244 0.010 . 1 . . . A 33 GLY HA3 . 25830 1 351 . 1 1 33 33 GLY C C 13 172.825 0.100 . 1 . . . A 33 GLY C . 25830 1 352 . 1 1 33 33 GLY CA C 13 44.748 0.100 . 1 . . . A 33 GLY CA . 25830 1 353 . 1 1 33 33 GLY N N 15 108.715 0.100 . 1 . . . A 33 GLY N . 25830 1 354 . 1 1 34 34 VAL H H 1 8.085 0.010 . 1 . . . A 34 VAL H . 25830 1 355 . 1 1 34 34 VAL HA H 1 3.489 0.010 . 1 . . . A 34 VAL HA . 25830 1 356 . 1 1 34 34 VAL HB H 1 2.119 0.010 . 1 . . . A 34 VAL HB . 25830 1 357 . 1 1 34 34 VAL HG11 H 1 0.757 0.010 . 1 . . . A 34 VAL HG11 . 25830 1 358 . 1 1 34 34 VAL HG12 H 1 0.757 0.010 . 1 . . . A 34 VAL HG12 . 25830 1 359 . 1 1 34 34 VAL HG13 H 1 0.757 0.010 . 1 . . . A 34 VAL HG13 . 25830 1 360 . 1 1 34 34 VAL HG21 H 1 0.978 0.010 . 1 . . . A 34 VAL HG21 . 25830 1 361 . 1 1 34 34 VAL HG22 H 1 0.978 0.010 . 1 . . . A 34 VAL HG22 . 25830 1 362 . 1 1 34 34 VAL HG23 H 1 0.978 0.010 . 1 . . . A 34 VAL HG23 . 25830 1 363 . 1 1 34 34 VAL C C 13 174.764 0.100 . 1 . . . A 34 VAL C . 25830 1 364 . 1 1 34 34 VAL CA C 13 63.930 0.100 . 1 . . . A 34 VAL CA . 25830 1 365 . 1 1 34 34 VAL CB C 13 29.037 0.100 . 1 . . . A 34 VAL CB . 25830 1 366 . 1 1 34 34 VAL CG1 C 13 18.834 0.100 . 1 . . . A 34 VAL CG1 . 25830 1 367 . 1 1 34 34 VAL CG2 C 13 20.697 0.100 . 1 . . . A 34 VAL CG2 . 25830 1 368 . 1 1 34 34 VAL N N 15 121.079 0.100 . 1 . . . A 34 VAL N . 25830 1 369 . 1 1 35 35 LYS H H 1 8.089 0.010 . 1 . . . A 35 LYS H . 25830 1 370 . 1 1 35 35 LYS HA H 1 3.814 0.010 . 1 . . . A 35 LYS HA . 25830 1 371 . 1 1 35 35 LYS HB2 H 1 1.793 0.010 . 1 . . . A 35 LYS HB2 . 25830 1 372 . 1 1 35 35 LYS HB3 H 1 1.793 0.010 . 1 . . . A 35 LYS HB3 . 25830 1 373 . 1 1 35 35 LYS HG2 H 1 1.520 0.010 . 2 . . . A 35 LYS HG2 . 25830 1 374 . 1 1 35 35 LYS HG3 H 1 1.296 0.010 . 2 . . . A 35 LYS HG3 . 25830 1 375 . 1 1 35 35 LYS HD2 H 1 1.585 0.010 . 1 . . . A 35 LYS HD2 . 25830 1 376 . 1 1 35 35 LYS HD3 H 1 1.585 0.010 . 1 . . . A 35 LYS HD3 . 25830 1 377 . 1 1 35 35 LYS HE2 H 1 2.824 0.010 . 1 . . . A 35 LYS HE2 . 25830 1 378 . 1 1 35 35 LYS HE3 H 1 2.824 0.010 . 1 . . . A 35 LYS HE3 . 25830 1 379 . 1 1 35 35 LYS C C 13 176.677 0.100 . 1 . . . A 35 LYS C . 25830 1 380 . 1 1 35 35 LYS CA C 13 57.849 0.100 . 1 . . . A 35 LYS CA . 25830 1 381 . 1 1 35 35 LYS CB C 13 29.635 0.100 . 1 . . . A 35 LYS CB . 25830 1 382 . 1 1 35 35 LYS CG C 13 24.147 0.100 . 1 . . . A 35 LYS CG . 25830 1 383 . 1 1 35 35 LYS CD C 13 26.746 0.100 . 1 . . . A 35 LYS CD . 25830 1 384 . 1 1 35 35 LYS CE C 13 39.498 0.100 . 1 . . . A 35 LYS CE . 25830 1 385 . 1 1 35 35 LYS N N 15 117.845 0.100 . 1 . . . A 35 LYS N . 25830 1 386 . 1 1 36 36 LYS H H 1 7.940 0.010 . 1 . . . A 36 LYS H . 25830 1 387 . 1 1 36 36 LYS HA H 1 3.946 0.010 . 1 . . . A 36 LYS HA . 25830 1 388 . 1 1 36 36 LYS HB2 H 1 1.910 0.010 . 2 . . . A 36 LYS HB2 . 25830 1 389 . 1 1 36 36 LYS HB3 H 1 1.860 0.010 . 2 . . . A 36 LYS HB3 . 25830 1 390 . 1 1 36 36 LYS HG2 H 1 1.364 0.010 . 2 . . . A 36 LYS HG2 . 25830 1 391 . 1 1 36 36 LYS HG3 H 1 1.480 0.010 . 2 . . . A 36 LYS HG3 . 25830 1 392 . 1 1 36 36 LYS HD2 H 1 1.612 0.010 . 1 . . . A 36 LYS HD2 . 25830 1 393 . 1 1 36 36 LYS HD3 H 1 1.612 0.010 . 1 . . . A 36 LYS HD3 . 25830 1 394 . 1 1 36 36 LYS HE2 H 1 2.926 0.010 . 1 . . . A 36 LYS HE2 . 25830 1 395 . 1 1 36 36 LYS HE3 H 1 2.926 0.010 . 1 . . . A 36 LYS HE3 . 25830 1 396 . 1 1 36 36 LYS C C 13 176.481 0.100 . 1 . . . A 36 LYS C . 25830 1 397 . 1 1 36 36 LYS CA C 13 56.889 0.100 . 1 . . . A 36 LYS CA . 25830 1 398 . 1 1 36 36 LYS CB C 13 29.999 0.100 . 1 . . . A 36 LYS CB . 25830 1 399 . 1 1 36 36 LYS CG C 13 22.244 0.100 . 1 . . . A 36 LYS CG . 25830 1 400 . 1 1 36 36 LYS CD C 13 27.019 0.100 . 1 . . . A 36 LYS CD . 25830 1 401 . 1 1 36 36 LYS CE C 13 39.398 0.100 . 1 . . . A 36 LYS CE . 25830 1 402 . 1 1 36 36 LYS N N 15 120.507 0.100 . 1 . . . A 36 LYS N . 25830 1 403 . 1 1 37 37 LEU H H 1 7.882 0.010 . 1 . . . A 37 LEU H . 25830 1 404 . 1 1 37 37 LEU HA H 1 4.012 0.010 . 1 . . . A 37 LEU HA . 25830 1 405 . 1 1 37 37 LEU HB2 H 1 2.067 0.010 . 1 . . . A 37 LEU HB2 . 25830 1 406 . 1 1 37 37 LEU HB3 H 1 1.743 0.010 . 1 . . . A 37 LEU HB3 . 25830 1 407 . 1 1 37 37 LEU HG H 1 1.767 0.010 . 1 . . . A 37 LEU HG . 25830 1 408 . 1 1 37 37 LEU HD11 H 1 0.913 0.010 . 1 . . . A 37 LEU HD11 . 25830 1 409 . 1 1 37 37 LEU HD12 H 1 0.913 0.010 . 1 . . . A 37 LEU HD12 . 25830 1 410 . 1 1 37 37 LEU HD13 H 1 0.913 0.010 . 1 . . . A 37 LEU HD13 . 25830 1 411 . 1 1 37 37 LEU HD21 H 1 0.913 0.010 . 1 . . . A 37 LEU HD21 . 25830 1 412 . 1 1 37 37 LEU HD22 H 1 0.913 0.010 . 1 . . . A 37 LEU HD22 . 25830 1 413 . 1 1 37 37 LEU HD23 H 1 0.913 0.010 . 1 . . . A 37 LEU HD23 . 25830 1 414 . 1 1 37 37 LEU C C 13 175.490 0.100 . 1 . . . A 37 LEU C . 25830 1 415 . 1 1 37 37 LEU CA C 13 55.567 0.100 . 1 . . . A 37 LEU CA . 25830 1 416 . 1 1 37 37 LEU CB C 13 38.621 0.100 . 1 . . . A 37 LEU CB . 25830 1 417 . 1 1 37 37 LEU CG C 13 24.487 0.100 . 1 . . . A 37 LEU CG . 25830 1 418 . 1 1 37 37 LEU CD1 C 13 23.447 0.100 . 1 . . . A 37 LEU CD1 . 25830 1 419 . 1 1 37 37 LEU CD2 C 13 22.803 0.100 . 1 . . . A 37 LEU CD2 . 25830 1 420 . 1 1 37 37 LEU N N 15 121.929 0.100 . 1 . . . A 37 LEU N . 25830 1 421 . 1 1 38 38 LEU H H 1 7.812 0.010 . 1 . . . A 38 LEU H . 25830 1 422 . 1 1 38 38 LEU HA H 1 4.050 0.010 . 1 . . . A 38 LEU HA . 25830 1 423 . 1 1 38 38 LEU HB2 H 1 1.715 0.010 . 1 . . . A 38 LEU HB2 . 25830 1 424 . 1 1 38 38 LEU HB3 H 1 1.554 0.010 . 1 . . . A 38 LEU HB3 . 25830 1 425 . 1 1 38 38 LEU HG H 1 1.842 0.010 . 1 . . . A 38 LEU HG . 25830 1 426 . 1 1 38 38 LEU HD11 H 1 0.779 0.010 . 2 . . . A 38 LEU HD11 . 25830 1 427 . 1 1 38 38 LEU HD12 H 1 0.779 0.010 . 2 . . . A 38 LEU HD12 . 25830 1 428 . 1 1 38 38 LEU HD13 H 1 0.779 0.010 . 2 . . . A 38 LEU HD13 . 25830 1 429 . 1 1 38 38 LEU HD21 H 1 0.826 0.010 . 2 . . . A 38 LEU HD21 . 25830 1 430 . 1 1 38 38 LEU HD22 H 1 0.826 0.010 . 2 . . . A 38 LEU HD22 . 25830 1 431 . 1 1 38 38 LEU HD23 H 1 0.826 0.010 . 2 . . . A 38 LEU HD23 . 25830 1 432 . 1 1 38 38 LEU C C 13 177.275 0.100 . 1 . . . A 38 LEU C . 25830 1 433 . 1 1 38 38 LEU CA C 13 54.535 0.100 . 1 . . . A 38 LEU CA . 25830 1 434 . 1 1 38 38 LEU CB C 13 38.448 0.100 . 1 . . . A 38 LEU CB . 25830 1 435 . 1 1 38 38 LEU CG C 13 24.452 0.100 . 1 . . . A 38 LEU CG . 25830 1 436 . 1 1 38 38 LEU CD1 C 13 22.838 0.100 . 1 . . . A 38 LEU CD1 . 25830 1 437 . 1 1 38 38 LEU CD2 C 13 19.471 0.100 . 1 . . . A 38 LEU CD2 . 25830 1 438 . 1 1 38 38 LEU N N 15 117.061 0.100 . 1 . . . A 38 LEU N . 25830 1 439 . 1 1 39 39 ALA H H 1 7.914 0.010 . 1 . . . A 39 ALA H . 25830 1 440 . 1 1 39 39 ALA HA H 1 4.105 0.010 . 1 . . . A 39 ALA HA . 25830 1 441 . 1 1 39 39 ALA HB1 H 1 1.415 0.010 . 1 . . . A 39 ALA HB1 . 25830 1 442 . 1 1 39 39 ALA HB2 H 1 1.415 0.010 . 1 . . . A 39 ALA HB2 . 25830 1 443 . 1 1 39 39 ALA HB3 H 1 1.415 0.010 . 1 . . . A 39 ALA HB3 . 25830 1 444 . 1 1 39 39 ALA C C 13 175.721 0.100 . 1 . . . A 39 ALA C . 25830 1 445 . 1 1 39 39 ALA CA C 13 50.910 0.100 . 1 . . . A 39 ALA CA . 25830 1 446 . 1 1 39 39 ALA CB C 13 15.545 0.100 . 1 . . . A 39 ALA CB . 25830 1 447 . 1 1 39 39 ALA N N 15 119.986 0.100 . 1 . . . A 39 ALA N . 25830 1 448 . 1 1 40 40 ALA H H 1 7.302 0.010 . 1 . . . A 40 ALA H . 25830 1 449 . 1 1 40 40 ALA HA H 1 4.266 0.010 . 1 . . . A 40 ALA HA . 25830 1 450 . 1 1 40 40 ALA HB1 H 1 1.475 0.010 . 1 . . . A 40 ALA HB1 . 25830 1 451 . 1 1 40 40 ALA HB2 H 1 1.475 0.010 . 1 . . . A 40 ALA HB2 . 25830 1 452 . 1 1 40 40 ALA HB3 H 1 1.475 0.010 . 1 . . . A 40 ALA HB3 . 25830 1 453 . 1 1 40 40 ALA C C 13 174.416 0.100 . 1 . . . A 40 ALA C . 25830 1 454 . 1 1 40 40 ALA CA C 13 49.886 0.100 . 1 . . . A 40 ALA CA . 25830 1 455 . 1 1 40 40 ALA CB C 13 16.330 0.100 . 1 . . . A 40 ALA CB . 25830 1 456 . 1 1 40 40 ALA N N 15 118.015 0.100 . 1 . . . A 40 ALA N . 25830 1 457 . 1 1 41 41 ALA H H 1 7.304 0.010 . 1 . . . A 41 ALA H . 25830 1 458 . 1 1 41 41 ALA HA H 1 4.605 0.010 . 1 . . . A 41 ALA HA . 25830 1 459 . 1 1 41 41 ALA HB1 H 1 1.151 0.010 . 1 . . . A 41 ALA HB1 . 25830 1 460 . 1 1 41 41 ALA HB2 H 1 1.151 0.010 . 1 . . . A 41 ALA HB2 . 25830 1 461 . 1 1 41 41 ALA HB3 H 1 1.151 0.010 . 1 . . . A 41 ALA HB3 . 25830 1 462 . 1 1 41 41 ALA C C 13 172.709 0.100 . 1 . . . A 41 ALA C . 25830 1 463 . 1 1 41 41 ALA CA C 13 47.917 0.100 . 1 . . . A 41 ALA CA . 25830 1 464 . 1 1 41 41 ALA CB C 13 15.072 0.100 . 1 . . . A 41 ALA CB . 25830 1 465 . 1 1 41 41 ALA N N 15 122.389 0.100 . 1 . . . A 41 ALA N . 25830 1 466 . 1 1 42 42 THR H H 1 8.663 0.010 . 1 . . . A 42 THR H . 25830 1 467 . 1 1 42 42 THR HA H 1 4.422 0.010 . 1 . . . A 42 THR HA . 25830 1 468 . 1 1 42 42 THR HB H 1 4.330 0.010 . 1 . . . A 42 THR HB . 25830 1 469 . 1 1 42 42 THR HG21 H 1 1.145 0.010 . 1 . . . A 42 THR HG21 . 25830 1 470 . 1 1 42 42 THR HG22 H 1 1.145 0.010 . 1 . . . A 42 THR HG22 . 25830 1 471 . 1 1 42 42 THR HG23 H 1 1.145 0.010 . 1 . . . A 42 THR HG23 . 25830 1 472 . 1 1 42 42 THR C C 13 172.086 0.100 . 1 . . . A 42 THR C . 25830 1 473 . 1 1 42 42 THR CA C 13 59.772 0.100 . 1 . . . A 42 THR CA . 25830 1 474 . 1 1 42 42 THR CB C 13 66.992 0.100 . 1 . . . A 42 THR CB . 25830 1 475 . 1 1 42 42 THR CG2 C 13 19.085 0.100 . 1 . . . A 42 THR CG2 . 25830 1 476 . 1 1 42 42 THR N N 15 113.142 0.100 . 1 . . . A 42 THR N . 25830 1 477 . 1 1 43 43 THR H H 1 7.705 0.010 . 1 . . . A 43 THR H . 25830 1 478 . 1 1 43 43 THR HA H 1 4.704 0.010 . 1 . . . A 43 THR HA . 25830 1 479 . 1 1 43 43 THR HB H 1 4.430 0.010 . 1 . . . A 43 THR HB . 25830 1 480 . 1 1 43 43 THR HG21 H 1 1.257 0.010 . 1 . . . A 43 THR HG21 . 25830 1 481 . 1 1 43 43 THR HG22 H 1 1.257 0.010 . 1 . . . A 43 THR HG22 . 25830 1 482 . 1 1 43 43 THR HG23 H 1 1.257 0.010 . 1 . . . A 43 THR HG23 . 25830 1 483 . 1 1 43 43 THR C C 13 172.283 0.100 . 1 . . . A 43 THR C . 25830 1 484 . 1 1 43 43 THR CA C 13 56.869 0.100 . 1 . . . A 43 THR CA . 25830 1 485 . 1 1 43 43 THR CB C 13 69.211 0.100 . 1 . . . A 43 THR CB . 25830 1 486 . 1 1 43 43 THR CG2 C 13 18.987 0.100 . 1 . . . A 43 THR CG2 . 25830 1 487 . 1 1 43 43 THR N N 15 111.501 0.100 . 1 . . . A 43 THR N . 25830 1 488 . 1 1 44 44 THR H H 1 9.305 0.010 . 1 . . . A 44 THR H . 25830 1 489 . 1 1 44 44 THR HA H 1 3.861 0.010 . 1 . . . A 44 THR HA . 25830 1 490 . 1 1 44 44 THR HB H 1 4.370 0.010 . 1 . . . A 44 THR HB . 25830 1 491 . 1 1 44 44 THR HG21 H 1 1.238 0.010 . 1 . . . A 44 THR HG21 . 25830 1 492 . 1 1 44 44 THR HG22 H 1 1.238 0.010 . 1 . . . A 44 THR HG22 . 25830 1 493 . 1 1 44 44 THR HG23 H 1 1.238 0.010 . 1 . . . A 44 THR HG23 . 25830 1 494 . 1 1 44 44 THR CA C 13 66.420 0.100 . 1 . . . A 44 THR CA . 25830 1 495 . 1 1 44 44 THR CB C 13 63.702 0.100 . 1 . . . A 44 THR CB . 25830 1 496 . 1 1 44 44 THR CG2 C 13 20.093 0.100 . 1 . . . A 44 THR CG2 . 25830 1 497 . 1 1 44 44 THR N N 15 119.157 0.100 . 1 . . . A 44 THR N . 25830 1 498 . 1 1 45 45 PRO HA H 1 4.345 0.010 . 1 . . . A 45 PRO HA . 25830 1 499 . 1 1 45 45 PRO HB2 H 1 1.759 0.010 . 1 . . . A 45 PRO HB2 . 25830 1 500 . 1 1 45 45 PRO HB3 H 1 2.310 0.010 . 1 . . . A 45 PRO HB3 . 25830 1 501 . 1 1 45 45 PRO HG2 H 1 1.937 0.010 . 2 . . . A 45 PRO HG2 . 25830 1 502 . 1 1 45 45 PRO HG3 H 1 2.069 0.010 . 2 . . . A 45 PRO HG3 . 25830 1 503 . 1 1 45 45 PRO HD2 H 1 3.802 0.010 . 2 . . . A 45 PRO HD2 . 25830 1 504 . 1 1 45 45 PRO HD3 H 1 3.714 0.010 . 2 . . . A 45 PRO HD3 . 25830 1 505 . 1 1 45 45 PRO C C 13 177.238 0.100 . 1 . . . A 45 PRO C . 25830 1 506 . 1 1 45 45 PRO CA C 13 63.192 0.100 . 1 . . . A 45 PRO CA . 25830 1 507 . 1 1 45 45 PRO CB C 13 28.232 0.100 . 1 . . . A 45 PRO CB . 25830 1 508 . 1 1 45 45 PRO CG C 13 25.574 0.100 . 1 . . . A 45 PRO CG . 25830 1 509 . 1 1 45 45 PRO CD C 13 47.071 0.100 . 1 . . . A 45 PRO CD . 25830 1 510 . 1 1 46 46 ASP H H 1 7.238 0.010 . 1 . . . A 46 ASP H . 25830 1 511 . 1 1 46 46 ASP HA H 1 4.571 0.010 . 1 . . . A 46 ASP HA . 25830 1 512 . 1 1 46 46 ASP HB2 H 1 2.713 0.010 . 1 . . . A 46 ASP HB2 . 25830 1 513 . 1 1 46 46 ASP HB3 H 1 2.549 0.010 . 1 . . . A 46 ASP HB3 . 25830 1 514 . 1 1 46 46 ASP C C 13 175.358 0.100 . 1 . . . A 46 ASP C . 25830 1 515 . 1 1 46 46 ASP CA C 13 54.436 0.100 . 1 . . . A 46 ASP CA . 25830 1 516 . 1 1 46 46 ASP CB C 13 37.884 0.100 . 1 . . . A 46 ASP CB . 25830 1 517 . 1 1 46 46 ASP N N 15 117.412 0.100 . 1 . . . A 46 ASP N . 25830 1 518 . 1 1 47 47 ARG H H 1 8.383 0.010 . 1 . . . A 47 ARG H . 25830 1 519 . 1 1 47 47 ARG HA H 1 3.754 0.010 . 1 . . . A 47 ARG HA . 25830 1 520 . 1 1 47 47 ARG HB2 H 1 1.458 0.010 . 2 . . . A 47 ARG HB2 . 25830 1 521 . 1 1 47 47 ARG HB3 H 1 1.537 0.010 . 2 . . . A 47 ARG HB3 . 25830 1 522 . 1 1 47 47 ARG HG2 H 1 1.356 0.010 . 2 . . . A 47 ARG HG2 . 25830 1 523 . 1 1 47 47 ARG HG3 H 1 1.279 0.010 . 2 . . . A 47 ARG HG3 . 25830 1 524 . 1 1 47 47 ARG HD2 H 1 2.808 0.010 . 2 . . . A 47 ARG HD2 . 25830 1 525 . 1 1 47 47 ARG HD3 H 1 2.979 0.010 . 2 . . . A 47 ARG HD3 . 25830 1 526 . 1 1 47 47 ARG HE H 1 6.858 0.010 . 1 . . . A 47 ARG HE . 25830 1 527 . 1 1 47 47 ARG C C 13 176.688 0.100 . 1 . . . A 47 ARG C . 25830 1 528 . 1 1 47 47 ARG CA C 13 57.351 0.100 . 1 . . . A 47 ARG CA . 25830 1 529 . 1 1 47 47 ARG CB C 13 26.606 0.100 . 1 . . . A 47 ARG CB . 25830 1 530 . 1 1 47 47 ARG CG C 13 26.465 0.100 . 1 . . . A 47 ARG CG . 25830 1 531 . 1 1 47 47 ARG CD C 13 41.087 0.100 . 1 . . . A 47 ARG CD . 25830 1 532 . 1 1 47 47 ARG N N 15 122.342 0.100 . 1 . . . A 47 ARG N . 25830 1 533 . 1 1 47 47 ARG NE N 15 85.663 0.100 . 1 . . . A 47 ARG NE . 25830 1 534 . 1 1 48 48 GLN H H 1 8.176 0.010 . 1 . . . A 48 GLN H . 25830 1 535 . 1 1 48 48 GLN HA H 1 3.650 0.010 . 1 . . . A 48 GLN HA . 25830 1 536 . 1 1 48 48 GLN HB2 H 1 2.055 0.010 . 1 . . . A 48 GLN HB2 . 25830 1 537 . 1 1 48 48 GLN HB3 H 1 1.924 0.010 . 1 . . . A 48 GLN HB3 . 25830 1 538 . 1 1 48 48 GLN HG2 H 1 2.361 0.010 . 1 . . . A 48 GLN HG2 . 25830 1 539 . 1 1 48 48 GLN HG3 H 1 2.361 0.010 . 1 . . . A 48 GLN HG3 . 25830 1 540 . 1 1 48 48 GLN HE21 H 1 7.421 0.010 . 1 . . . A 48 GLN HE21 . 25830 1 541 . 1 1 48 48 GLN HE22 H 1 6.755 0.010 . 1 . . . A 48 GLN HE22 . 25830 1 542 . 1 1 48 48 GLN C C 13 175.354 0.100 . 1 . . . A 48 GLN C . 25830 1 543 . 1 1 48 48 GLN CA C 13 56.742 0.100 . 1 . . . A 48 GLN CA . 25830 1 544 . 1 1 48 48 GLN CB C 13 25.406 0.100 . 1 . . . A 48 GLN CB . 25830 1 545 . 1 1 48 48 GLN CG C 13 31.596 0.100 . 1 . . . A 48 GLN CG . 25830 1 546 . 1 1 48 48 GLN N N 15 120.813 0.100 . 1 . . . A 48 GLN N . 25830 1 547 . 1 1 48 48 GLN NE2 N 15 110.710 0.100 . 1 . . . A 48 GLN NE2 . 25830 1 548 . 1 1 49 49 ALA H H 1 8.079 0.010 . 1 . . . A 49 ALA H . 25830 1 549 . 1 1 49 49 ALA HA H 1 4.224 0.010 . 1 . . . A 49 ALA HA . 25830 1 550 . 1 1 49 49 ALA HB1 H 1 1.559 0.010 . 1 . . . A 49 ALA HB1 . 25830 1 551 . 1 1 49 49 ALA HB2 H 1 1.559 0.010 . 1 . . . A 49 ALA HB2 . 25830 1 552 . 1 1 49 49 ALA HB3 H 1 1.559 0.010 . 1 . . . A 49 ALA HB3 . 25830 1 553 . 1 1 49 49 ALA C C 13 177.581 0.100 . 1 . . . A 49 ALA C . 25830 1 554 . 1 1 49 49 ALA CA C 13 52.410 0.100 . 1 . . . A 49 ALA CA . 25830 1 555 . 1 1 49 49 ALA CB C 13 15.305 0.100 . 1 . . . A 49 ALA CB . 25830 1 556 . 1 1 49 49 ALA N N 15 122.476 0.100 . 1 . . . A 49 ALA N . 25830 1 557 . 1 1 50 50 ALA H H 1 8.494 0.010 . 1 . . . A 50 ALA H . 25830 1 558 . 1 1 50 50 ALA HA H 1 3.686 0.010 . 1 . . . A 50 ALA HA . 25830 1 559 . 1 1 50 50 ALA HB1 H 1 1.344 0.010 . 1 . . . A 50 ALA HB1 . 25830 1 560 . 1 1 50 50 ALA HB2 H 1 1.344 0.010 . 1 . . . A 50 ALA HB2 . 25830 1 561 . 1 1 50 50 ALA HB3 H 1 1.344 0.010 . 1 . . . A 50 ALA HB3 . 25830 1 562 . 1 1 50 50 ALA C C 13 175.478 0.100 . 1 . . . A 50 ALA C . 25830 1 563 . 1 1 50 50 ALA CA C 13 53.344 0.100 . 1 . . . A 50 ALA CA . 25830 1 564 . 1 1 50 50 ALA CB C 13 14.032 0.100 . 1 . . . A 50 ALA CB . 25830 1 565 . 1 1 50 50 ALA N N 15 121.104 0.100 . 1 . . . A 50 ALA N . 25830 1 566 . 1 1 51 51 CYS H H 1 7.466 0.010 . 1 . . . A 51 CYS H . 25830 1 567 . 1 1 51 51 CYS HA H 1 4.091 0.010 . 1 . . . A 51 CYS HA . 25830 1 568 . 1 1 51 51 CYS HB2 H 1 2.348 0.010 . 1 . . . A 51 CYS HB2 . 25830 1 569 . 1 1 51 51 CYS HB3 H 1 3.400 0.010 . 1 . . . A 51 CYS HB3 . 25830 1 570 . 1 1 51 51 CYS C C 13 173.692 0.100 . 1 . . . A 51 CYS C . 25830 1 571 . 1 1 51 51 CYS CA C 13 57.660 0.100 . 1 . . . A 51 CYS CA . 25830 1 572 . 1 1 51 51 CYS CB C 13 34.278 0.100 . 1 . . . A 51 CYS CB . 25830 1 573 . 1 1 51 51 CYS N N 15 117.063 0.100 . 1 . . . A 51 CYS N . 25830 1 574 . 1 1 52 52 ASN H H 1 8.164 0.010 . 1 . . . A 52 ASN H . 25830 1 575 . 1 1 52 52 ASN HA H 1 4.403 0.010 . 1 . . . A 52 ASN HA . 25830 1 576 . 1 1 52 52 ASN HB2 H 1 2.784 0.010 . 1 . . . A 52 ASN HB2 . 25830 1 577 . 1 1 52 52 ASN HB3 H 1 2.696 0.010 . 1 . . . A 52 ASN HB3 . 25830 1 578 . 1 1 52 52 ASN HD21 H 1 7.204 0.010 . 1 . . . A 52 ASN HD21 . 25830 1 579 . 1 1 52 52 ASN HD22 H 1 7.226 0.010 . 1 . . . A 52 ASN HD22 . 25830 1 580 . 1 1 52 52 ASN C C 13 176.290 0.100 . 1 . . . A 52 ASN C . 25830 1 581 . 1 1 52 52 ASN CA C 13 54.177 0.100 . 1 . . . A 52 ASN CA . 25830 1 582 . 1 1 52 52 ASN CB C 13 36.302 0.100 . 1 . . . A 52 ASN CB . 25830 1 583 . 1 1 52 52 ASN N N 15 120.867 0.100 . 1 . . . A 52 ASN N . 25830 1 584 . 1 1 52 52 ASN ND2 N 15 115.041 0.100 . 1 . . . A 52 ASN ND2 . 25830 1 585 . 1 1 53 53 CYS H H 1 8.974 0.010 . 1 . . . A 53 CYS H . 25830 1 586 . 1 1 53 53 CYS HA H 1 4.543 0.010 . 1 . . . A 53 CYS HA . 25830 1 587 . 1 1 53 53 CYS HB2 H 1 2.935 0.010 . 1 . . . A 53 CYS HB2 . 25830 1 588 . 1 1 53 53 CYS HB3 H 1 2.935 0.010 . 1 . . . A 53 CYS HB3 . 25830 1 589 . 1 1 53 53 CYS C C 13 175.294 0.100 . 1 . . . A 53 CYS C . 25830 1 590 . 1 1 53 53 CYS CA C 13 53.637 0.100 . 1 . . . A 53 CYS CA . 25830 1 591 . 1 1 53 53 CYS CB C 13 34.302 0.100 . 1 . . . A 53 CYS CB . 25830 1 592 . 1 1 53 53 CYS N N 15 119.542 0.100 . 1 . . . A 53 CYS N . 25830 1 593 . 1 1 54 54 LEU H H 1 8.794 0.010 . 1 . . . A 54 LEU H . 25830 1 594 . 1 1 54 54 LEU HA H 1 3.964 0.010 . 1 . . . A 54 LEU HA . 25830 1 595 . 1 1 54 54 LEU HB2 H 1 2.230 0.010 . 1 . . . A 54 LEU HB2 . 25830 1 596 . 1 1 54 54 LEU HB3 H 1 1.384 0.010 . 1 . . . A 54 LEU HB3 . 25830 1 597 . 1 1 54 54 LEU HG H 1 1.716 0.010 . 1 . . . A 54 LEU HG . 25830 1 598 . 1 1 54 54 LEU HD11 H 1 0.734 0.010 . 2 . . . A 54 LEU HD11 . 25830 1 599 . 1 1 54 54 LEU HD12 H 1 0.734 0.010 . 2 . . . A 54 LEU HD12 . 25830 1 600 . 1 1 54 54 LEU HD13 H 1 0.734 0.010 . 2 . . . A 54 LEU HD13 . 25830 1 601 . 1 1 54 54 LEU HD21 H 1 0.944 0.010 . 2 . . . A 54 LEU HD21 . 25830 1 602 . 1 1 54 54 LEU HD22 H 1 0.944 0.010 . 2 . . . A 54 LEU HD22 . 25830 1 603 . 1 1 54 54 LEU HD23 H 1 0.944 0.010 . 2 . . . A 54 LEU HD23 . 25830 1 604 . 1 1 54 54 LEU C C 13 175.082 0.100 . 1 . . . A 54 LEU C . 25830 1 605 . 1 1 54 54 LEU CA C 13 55.725 0.100 . 1 . . . A 54 LEU CA . 25830 1 606 . 1 1 54 54 LEU CB C 13 39.035 0.100 . 1 . . . A 54 LEU CB . 25830 1 607 . 1 1 54 54 LEU CG C 13 24.754 0.100 . 1 . . . A 54 LEU CG . 25830 1 608 . 1 1 54 54 LEU CD1 C 13 21.086 0.100 . 1 . . . A 54 LEU CD1 . 25830 1 609 . 1 1 54 54 LEU CD2 C 13 22.396 0.100 . 1 . . . A 54 LEU CD2 . 25830 1 610 . 1 1 54 54 LEU N N 15 124.510 0.100 . 1 . . . A 54 LEU N . 25830 1 611 . 1 1 55 55 LYS H H 1 8.119 0.010 . 1 . . . A 55 LYS H . 25830 1 612 . 1 1 55 55 LYS HA H 1 3.929 0.010 . 1 . . . A 55 LYS HA . 25830 1 613 . 1 1 55 55 LYS HB2 H 1 1.977 0.010 . 1 . . . A 55 LYS HB2 . 25830 1 614 . 1 1 55 55 LYS HB3 H 1 1.977 0.010 . 1 . . . A 55 LYS HB3 . 25830 1 615 . 1 1 55 55 LYS HG2 H 1 1.749 0.010 . 2 . . . A 55 LYS HG2 . 25830 1 616 . 1 1 55 55 LYS HG3 H 1 1.371 0.010 . 2 . . . A 55 LYS HG3 . 25830 1 617 . 1 1 55 55 LYS HD2 H 1 1.746 0.010 . 2 . . . A 55 LYS HD2 . 25830 1 618 . 1 1 55 55 LYS HD3 H 1 1.905 0.010 . 2 . . . A 55 LYS HD3 . 25830 1 619 . 1 1 55 55 LYS HE2 H 1 3.039 0.010 . 1 . . . A 55 LYS HE2 . 25830 1 620 . 1 1 55 55 LYS HE3 H 1 3.039 0.010 . 1 . . . A 55 LYS HE3 . 25830 1 621 . 1 1 55 55 LYS C C 13 176.860 0.100 . 1 . . . A 55 LYS C . 25830 1 622 . 1 1 55 55 LYS CA C 13 57.089 0.100 . 1 . . . A 55 LYS CA . 25830 1 623 . 1 1 55 55 LYS CB C 13 30.420 0.100 . 1 . . . A 55 LYS CB . 25830 1 624 . 1 1 55 55 LYS CG C 13 21.773 0.100 . 1 . . . A 55 LYS CG . 25830 1 625 . 1 1 55 55 LYS CD C 13 27.683 0.100 . 1 . . . A 55 LYS CD . 25830 1 626 . 1 1 55 55 LYS CE C 13 39.948 0.100 . 1 . . . A 55 LYS CE . 25830 1 627 . 1 1 55 55 LYS N N 15 120.615 0.100 . 1 . . . A 55 LYS N . 25830 1 628 . 1 1 56 56 SER H H 1 7.746 0.010 . 1 . . . A 56 SER H . 25830 1 629 . 1 1 56 56 SER HA H 1 4.202 0.010 . 1 . . . A 56 SER HA . 25830 1 630 . 1 1 56 56 SER HB2 H 1 3.969 0.010 . 1 . . . A 56 SER HB2 . 25830 1 631 . 1 1 56 56 SER HB3 H 1 3.969 0.010 . 1 . . . A 56 SER HB3 . 25830 1 632 . 1 1 56 56 SER C C 13 175.009 0.100 . 1 . . . A 56 SER C . 25830 1 633 . 1 1 56 56 SER CA C 13 58.397 0.100 . 1 . . . A 56 SER CA . 25830 1 634 . 1 1 56 56 SER CB C 13 60.063 0.100 . 1 . . . A 56 SER CB . 25830 1 635 . 1 1 56 56 SER N N 15 113.653 0.100 . 1 . . . A 56 SER N . 25830 1 636 . 1 1 57 57 ALA H H 1 8.370 0.010 . 1 . . . A 57 ALA H . 25830 1 637 . 1 1 57 57 ALA HA H 1 4.073 0.010 . 1 . . . A 57 ALA HA . 25830 1 638 . 1 1 57 57 ALA HB1 H 1 1.344 0.010 . 1 . . . A 57 ALA HB1 . 25830 1 639 . 1 1 57 57 ALA HB2 H 1 1.344 0.010 . 1 . . . A 57 ALA HB2 . 25830 1 640 . 1 1 57 57 ALA HB3 H 1 1.344 0.010 . 1 . . . A 57 ALA HB3 . 25830 1 641 . 1 1 57 57 ALA C C 13 177.735 0.100 . 1 . . . A 57 ALA C . 25830 1 642 . 1 1 57 57 ALA CA C 13 52.222 0.100 . 1 . . . A 57 ALA CA . 25830 1 643 . 1 1 57 57 ALA CB C 13 14.710 0.100 . 1 . . . A 57 ALA CB . 25830 1 644 . 1 1 57 57 ALA N N 15 125.184 0.100 . 1 . . . A 57 ALA N . 25830 1 645 . 1 1 58 58 ALA H H 1 8.355 0.010 . 1 . . . A 58 ALA H . 25830 1 646 . 1 1 58 58 ALA HA H 1 3.873 0.010 . 1 . . . A 58 ALA HA . 25830 1 647 . 1 1 58 58 ALA HB1 H 1 1.270 0.010 . 1 . . . A 58 ALA HB1 . 25830 1 648 . 1 1 58 58 ALA HB2 H 1 1.270 0.010 . 1 . . . A 58 ALA HB2 . 25830 1 649 . 1 1 58 58 ALA HB3 H 1 1.270 0.010 . 1 . . . A 58 ALA HB3 . 25830 1 650 . 1 1 58 58 ALA C C 13 176.201 0.100 . 1 . . . A 58 ALA C . 25830 1 651 . 1 1 58 58 ALA CA C 13 52.154 0.100 . 1 . . . A 58 ALA CA . 25830 1 652 . 1 1 58 58 ALA CB C 13 13.944 0.100 . 1 . . . A 58 ALA CB . 25830 1 653 . 1 1 58 58 ALA N N 15 119.288 0.100 . 1 . . . A 58 ALA N . 25830 1 654 . 1 1 59 59 GLY H H 1 7.613 0.010 . 1 . . . A 59 GLY H . 25830 1 655 . 1 1 59 59 GLY HA2 H 1 3.976 0.010 . 1 . . . A 59 GLY HA2 . 25830 1 656 . 1 1 59 59 GLY HA3 H 1 3.848 0.010 . 1 . . . A 59 GLY HA3 . 25830 1 657 . 1 1 59 59 GLY C C 13 171.619 0.100 . 1 . . . A 59 GLY C . 25830 1 658 . 1 1 59 59 GLY CA C 13 43.245 0.100 . 1 . . . A 59 GLY CA . 25830 1 659 . 1 1 59 59 GLY N N 15 101.896 0.100 . 1 . . . A 59 GLY N . 25830 1 660 . 1 1 60 60 SER H H 1 7.570 0.010 . 1 . . . A 60 SER H . 25830 1 661 . 1 1 60 60 SER HA H 1 4.548 0.010 . 1 . . . A 60 SER HA . 25830 1 662 . 1 1 60 60 SER HB2 H 1 3.916 0.010 . 1 . . . A 60 SER HB2 . 25830 1 663 . 1 1 60 60 SER HB3 H 1 3.916 0.010 . 1 . . . A 60 SER HB3 . 25830 1 664 . 1 1 60 60 SER C C 13 171.232 0.100 . 1 . . . A 60 SER C . 25830 1 665 . 1 1 60 60 SER CA C 13 55.817 0.100 . 1 . . . A 60 SER CA . 25830 1 666 . 1 1 60 60 SER CB C 13 61.793 0.100 . 1 . . . A 60 SER CB . 25830 1 667 . 1 1 60 60 SER N N 15 114.297 0.100 . 1 . . . A 60 SER N . 25830 1 668 . 1 1 61 61 ILE H H 1 7.222 0.010 . 1 . . . A 61 ILE H . 25830 1 669 . 1 1 61 61 ILE HA H 1 4.272 0.010 . 1 . . . A 61 ILE HA . 25830 1 670 . 1 1 61 61 ILE HB H 1 1.827 0.010 . 1 . . . A 61 ILE HB . 25830 1 671 . 1 1 61 61 ILE HG12 H 1 1.809 0.010 . 2 . . . A 61 ILE HG12 . 25830 1 672 . 1 1 61 61 ILE HG13 H 1 1.038 0.010 . 2 . . . A 61 ILE HG13 . 25830 1 673 . 1 1 61 61 ILE HG21 H 1 0.759 0.010 . 1 . . . A 61 ILE HG21 . 25830 1 674 . 1 1 61 61 ILE HG22 H 1 0.759 0.010 . 1 . . . A 61 ILE HG22 . 25830 1 675 . 1 1 61 61 ILE HG23 H 1 0.759 0.010 . 1 . . . A 61 ILE HG23 . 25830 1 676 . 1 1 61 61 ILE HD11 H 1 0.704 0.010 . 1 . . . A 61 ILE HD11 . 25830 1 677 . 1 1 61 61 ILE HD12 H 1 0.704 0.010 . 1 . . . A 61 ILE HD12 . 25830 1 678 . 1 1 61 61 ILE HD13 H 1 0.704 0.010 . 1 . . . A 61 ILE HD13 . 25830 1 679 . 1 1 61 61 ILE C C 13 170.966 0.100 . 1 . . . A 61 ILE C . 25830 1 680 . 1 1 61 61 ILE CA C 13 56.364 0.100 . 1 . . . A 61 ILE CA . 25830 1 681 . 1 1 61 61 ILE CB C 13 36.307 0.100 . 1 . . . A 61 ILE CB . 25830 1 682 . 1 1 61 61 ILE CG1 C 13 24.697 0.100 . 1 . . . A 61 ILE CG1 . 25830 1 683 . 1 1 61 61 ILE CG2 C 13 14.078 0.100 . 1 . . . A 61 ILE CG2 . 25830 1 684 . 1 1 61 61 ILE CD1 C 13 11.430 0.100 . 1 . . . A 61 ILE CD1 . 25830 1 685 . 1 1 61 61 ILE N N 15 125.096 0.100 . 1 . . . A 61 ILE N . 25830 1 686 . 1 1 62 62 PRO HA H 1 4.317 0.010 . 1 . . . A 62 PRO HA . 25830 1 687 . 1 1 62 62 PRO HB2 H 1 2.285 0.010 . 2 . . . A 62 PRO HB2 . 25830 1 688 . 1 1 62 62 PRO HB3 H 1 1.770 0.010 . 2 . . . A 62 PRO HB3 . 25830 1 689 . 1 1 62 62 PRO HG2 H 1 1.947 0.010 . 1 . . . A 62 PRO HG2 . 25830 1 690 . 1 1 62 62 PRO HG3 H 1 1.947 0.010 . 1 . . . A 62 PRO HG3 . 25830 1 691 . 1 1 62 62 PRO HD2 H 1 3.515 0.010 . 2 . . . A 62 PRO HD2 . 25830 1 692 . 1 1 62 62 PRO HD3 H 1 4.108 0.010 . 2 . . . A 62 PRO HD3 . 25830 1 693 . 1 1 62 62 PRO C C 13 173.935 0.100 . 1 . . . A 62 PRO C . 25830 1 694 . 1 1 62 62 PRO CA C 13 60.634 0.100 . 1 . . . A 62 PRO CA . 25830 1 695 . 1 1 62 62 PRO CB C 13 29.399 0.100 . 1 . . . A 62 PRO CB . 25830 1 696 . 1 1 62 62 PRO CG C 13 24.718 0.100 . 1 . . . A 62 PRO CG . 25830 1 697 . 1 1 62 62 PRO CD C 13 48.384 0.100 . 1 . . . A 62 PRO CD . 25830 1 698 . 1 1 63 63 LYS H H 1 8.584 0.010 . 1 . . . A 63 LYS H . 25830 1 699 . 1 1 63 63 LYS HA H 1 3.916 0.010 . 1 . . . A 63 LYS HA . 25830 1 700 . 1 1 63 63 LYS HB2 H 1 1.809 0.010 . 1 . . . A 63 LYS HB2 . 25830 1 701 . 1 1 63 63 LYS HB3 H 1 1.882 0.010 . 1 . . . A 63 LYS HB3 . 25830 1 702 . 1 1 63 63 LYS HG2 H 1 1.306 0.010 . 1 . . . A 63 LYS HG2 . 25830 1 703 . 1 1 63 63 LYS HG3 H 1 1.306 0.010 . 1 . . . A 63 LYS HG3 . 25830 1 704 . 1 1 63 63 LYS HD2 H 1 1.615 0.010 . 2 . . . A 63 LYS HD2 . 25830 1 705 . 1 1 63 63 LYS HD3 H 1 1.655 0.010 . 2 . . . A 63 LYS HD3 . 25830 1 706 . 1 1 63 63 LYS HE2 H 1 2.929 0.010 . 1 . . . A 63 LYS HE2 . 25830 1 707 . 1 1 63 63 LYS HE3 H 1 2.929 0.010 . 1 . . . A 63 LYS HE3 . 25830 1 708 . 1 1 63 63 LYS C C 13 172.800 0.100 . 1 . . . A 63 LYS C . 25830 1 709 . 1 1 63 63 LYS CA C 13 53.303 0.100 . 1 . . . A 63 LYS CA . 25830 1 710 . 1 1 63 63 LYS CB C 13 26.973 0.100 . 1 . . . A 63 LYS CB . 25830 1 711 . 1 1 63 63 LYS CG C 13 22.405 0.100 . 1 . . . A 63 LYS CG . 25830 1 712 . 1 1 63 63 LYS CD C 13 26.429 0.100 . 1 . . . A 63 LYS CD . 25830 1 713 . 1 1 63 63 LYS CE C 13 39.500 0.100 . 1 . . . A 63 LYS CE . 25830 1 714 . 1 1 63 63 LYS N N 15 115.837 0.100 . 1 . . . A 63 LYS N . 25830 1 715 . 1 1 64 64 LEU H H 1 7.116 0.010 . 1 . . . A 64 LEU H . 25830 1 716 . 1 1 64 64 LEU HA H 1 3.625 0.010 . 1 . . . A 64 LEU HA . 25830 1 717 . 1 1 64 64 LEU HB2 H 1 1.693 0.010 . 1 . . . A 64 LEU HB2 . 25830 1 718 . 1 1 64 64 LEU HB3 H 1 1.610 0.010 . 1 . . . A 64 LEU HB3 . 25830 1 719 . 1 1 64 64 LEU HG H 1 1.296 0.010 . 1 . . . A 64 LEU HG . 25830 1 720 . 1 1 64 64 LEU HD11 H 1 0.909 0.010 . 2 . . . A 64 LEU HD11 . 25830 1 721 . 1 1 64 64 LEU HD12 H 1 0.909 0.010 . 2 . . . A 64 LEU HD12 . 25830 1 722 . 1 1 64 64 LEU HD13 H 1 0.909 0.010 . 2 . . . A 64 LEU HD13 . 25830 1 723 . 1 1 64 64 LEU HD21 H 1 0.932 0.010 . 2 . . . A 64 LEU HD21 . 25830 1 724 . 1 1 64 64 LEU HD22 H 1 0.932 0.010 . 2 . . . A 64 LEU HD22 . 25830 1 725 . 1 1 64 64 LEU HD23 H 1 0.932 0.010 . 2 . . . A 64 LEU HD23 . 25830 1 726 . 1 1 64 64 LEU C C 13 173.690 0.100 . 1 . . . A 64 LEU C . 25830 1 727 . 1 1 64 64 LEU CA C 13 53.929 0.100 . 1 . . . A 64 LEU CA . 25830 1 728 . 1 1 64 64 LEU CB C 13 39.878 0.100 . 1 . . . A 64 LEU CB . 25830 1 729 . 1 1 64 64 LEU CG C 13 24.029 0.100 . 1 . . . A 64 LEU CG . 25830 1 730 . 1 1 64 64 LEU CD1 C 13 23.484 0.100 . 1 . . . A 64 LEU CD1 . 25830 1 731 . 1 1 64 64 LEU CD2 C 13 22.849 0.100 . 1 . . . A 64 LEU CD2 . 25830 1 732 . 1 1 64 64 LEU N N 15 118.672 0.100 . 1 . . . A 64 LEU N . 25830 1 733 . 1 1 65 65 ASN H H 1 9.348 0.010 . 1 . . . A 65 ASN H . 25830 1 734 . 1 1 65 65 ASN HA H 1 4.879 0.010 . 1 . . . A 65 ASN HA . 25830 1 735 . 1 1 65 65 ASN HB2 H 1 2.716 0.010 . 1 . . . A 65 ASN HB2 . 25830 1 736 . 1 1 65 65 ASN HB3 H 1 3.042 0.010 . 1 . . . A 65 ASN HB3 . 25830 1 737 . 1 1 65 65 ASN HD21 H 1 8.452 0.010 . 1 . . . A 65 ASN HD21 . 25830 1 738 . 1 1 65 65 ASN HD22 H 1 7.536 0.010 . 1 . . . A 65 ASN HD22 . 25830 1 739 . 1 1 65 65 ASN C C 13 174.338 0.100 . 1 . . . A 65 ASN C . 25830 1 740 . 1 1 65 65 ASN CA C 13 48.862 0.100 . 1 . . . A 65 ASN CA . 25830 1 741 . 1 1 65 65 ASN CB C 13 34.238 0.100 . 1 . . . A 65 ASN CB . 25830 1 742 . 1 1 65 65 ASN N N 15 125.562 0.100 . 1 . . . A 65 ASN N . 25830 1 743 . 1 1 65 65 ASN ND2 N 15 112.629 0.100 . 1 . . . A 65 ASN ND2 . 25830 1 744 . 1 1 66 66 THR H H 1 8.735 0.010 . 1 . . . A 66 THR H . 25830 1 745 . 1 1 66 66 THR HA H 1 3.840 0.010 . 1 . . . A 66 THR HA . 25830 1 746 . 1 1 66 66 THR HB H 1 4.336 0.010 . 1 . . . A 66 THR HB . 25830 1 747 . 1 1 66 66 THR HG21 H 1 1.331 0.010 . 1 . . . A 66 THR HG21 . 25830 1 748 . 1 1 66 66 THR HG22 H 1 1.331 0.010 . 1 . . . A 66 THR HG22 . 25830 1 749 . 1 1 66 66 THR HG23 H 1 1.331 0.010 . 1 . . . A 66 THR HG23 . 25830 1 750 . 1 1 66 66 THR C C 13 174.820 0.100 . 1 . . . A 66 THR C . 25830 1 751 . 1 1 66 66 THR CA C 13 62.576 0.100 . 1 . . . A 66 THR CA . 25830 1 752 . 1 1 66 66 THR CB C 13 65.348 0.100 . 1 . . . A 66 THR CB . 25830 1 753 . 1 1 66 66 THR CG2 C 13 19.489 0.100 . 1 . . . A 66 THR CG2 . 25830 1 754 . 1 1 66 66 THR N N 15 118.448 0.100 . 1 . . . A 66 THR N . 25830 1 755 . 1 1 67 67 ASN H H 1 8.229 0.010 . 1 . . . A 67 ASN H . 25830 1 756 . 1 1 67 67 ASN HA H 1 4.460 0.010 . 1 . . . A 67 ASN HA . 25830 1 757 . 1 1 67 67 ASN HB2 H 1 2.842 0.010 . 2 . . . A 67 ASN HB2 . 25830 1 758 . 1 1 67 67 ASN HB3 H 1 2.906 0.010 . 2 . . . A 67 ASN HB3 . 25830 1 759 . 1 1 67 67 ASN HD21 H 1 7.555 0.010 . 1 . . . A 67 ASN HD21 . 25830 1 760 . 1 1 67 67 ASN HD22 H 1 7.168 0.010 . 1 . . . A 67 ASN HD22 . 25830 1 761 . 1 1 67 67 ASN C C 13 174.825 0.100 . 1 . . . A 67 ASN C . 25830 1 762 . 1 1 67 67 ASN CA C 13 53.781 0.100 . 1 . . . A 67 ASN CA . 25830 1 763 . 1 1 67 67 ASN CB C 13 35.495 0.100 . 1 . . . A 67 ASN CB . 25830 1 764 . 1 1 67 67 ASN N N 15 121.545 0.100 . 1 . . . A 67 ASN N . 25830 1 765 . 1 1 67 67 ASN ND2 N 15 115.545 0.100 . 1 . . . A 67 ASN ND2 . 25830 1 766 . 1 1 68 68 ASN H H 1 7.153 0.010 . 1 . . . A 68 ASN H . 25830 1 767 . 1 1 68 68 ASN HA H 1 4.463 0.010 . 1 . . . A 68 ASN HA . 25830 1 768 . 1 1 68 68 ASN HB2 H 1 2.449 0.010 . 1 . . . A 68 ASN HB2 . 25830 1 769 . 1 1 68 68 ASN HB3 H 1 2.021 0.010 . 1 . . . A 68 ASN HB3 . 25830 1 770 . 1 1 68 68 ASN HD21 H 1 6.506 0.010 . 1 . . . A 68 ASN HD21 . 25830 1 771 . 1 1 68 68 ASN HD22 H 1 6.195 0.010 . 1 . . . A 68 ASN HD22 . 25830 1 772 . 1 1 68 68 ASN C C 13 175.357 0.100 . 1 . . . A 68 ASN C . 25830 1 773 . 1 1 68 68 ASN CA C 13 52.009 0.100 . 1 . . . A 68 ASN CA . 25830 1 774 . 1 1 68 68 ASN CB C 13 32.853 0.100 . 1 . . . A 68 ASN CB . 25830 1 775 . 1 1 68 68 ASN N N 15 122.399 0.100 . 1 . . . A 68 ASN N . 25830 1 776 . 1 1 68 68 ASN ND2 N 15 109.146 0.100 . 1 . . . A 68 ASN ND2 . 25830 1 777 . 1 1 69 69 ALA H H 1 7.942 0.010 . 1 . . . A 69 ALA H . 25830 1 778 . 1 1 69 69 ALA HA H 1 3.930 0.010 . 1 . . . A 69 ALA HA . 25830 1 779 . 1 1 69 69 ALA HB1 H 1 1.472 0.010 . 1 . . . A 69 ALA HB1 . 25830 1 780 . 1 1 69 69 ALA HB2 H 1 1.472 0.010 . 1 . . . A 69 ALA HB2 . 25830 1 781 . 1 1 69 69 ALA HB3 H 1 1.472 0.010 . 1 . . . A 69 ALA HB3 . 25830 1 782 . 1 1 69 69 ALA C C 13 175.919 0.100 . 1 . . . A 69 ALA C . 25830 1 783 . 1 1 69 69 ALA CA C 13 53.087 0.100 . 1 . . . A 69 ALA CA . 25830 1 784 . 1 1 69 69 ALA CB C 13 14.867 0.100 . 1 . . . A 69 ALA CB . 25830 1 785 . 1 1 69 69 ALA N N 15 123.588 0.100 . 1 . . . A 69 ALA N . 25830 1 786 . 1 1 70 70 ALA H H 1 7.574 0.010 . 1 . . . A 70 ALA H . 25830 1 787 . 1 1 70 70 ALA HA H 1 4.250 0.010 . 1 . . . A 70 ALA HA . 25830 1 788 . 1 1 70 70 ALA HB1 H 1 1.555 0.010 . 1 . . . A 70 ALA HB1 . 25830 1 789 . 1 1 70 70 ALA HB2 H 1 1.555 0.010 . 1 . . . A 70 ALA HB2 . 25830 1 790 . 1 1 70 70 ALA HB3 H 1 1.555 0.010 . 1 . . . A 70 ALA HB3 . 25830 1 791 . 1 1 70 70 ALA C C 13 176.704 0.100 . 1 . . . A 70 ALA C . 25830 1 792 . 1 1 70 70 ALA CA C 13 51.706 0.100 . 1 . . . A 70 ALA CA . 25830 1 793 . 1 1 70 70 ALA CB C 13 15.507 0.100 . 1 . . . A 70 ALA CB . 25830 1 794 . 1 1 70 70 ALA N N 15 117.736 0.100 . 1 . . . A 70 ALA N . 25830 1 795 . 1 1 71 71 ALA H H 1 7.676 0.010 . 1 . . . A 71 ALA H . 25830 1 796 . 1 1 71 71 ALA HA H 1 4.321 0.010 . 1 . . . A 71 ALA HA . 25830 1 797 . 1 1 71 71 ALA HB1 H 1 1.532 0.010 . 1 . . . A 71 ALA HB1 . 25830 1 798 . 1 1 71 71 ALA HB2 H 1 1.532 0.010 . 1 . . . A 71 ALA HB2 . 25830 1 799 . 1 1 71 71 ALA HB3 H 1 1.532 0.010 . 1 . . . A 71 ALA HB3 . 25830 1 800 . 1 1 71 71 ALA C C 13 175.190 0.100 . 1 . . . A 71 ALA C . 25830 1 801 . 1 1 71 71 ALA CA C 13 50.142 0.100 . 1 . . . A 71 ALA CA . 25830 1 802 . 1 1 71 71 ALA CB C 13 16.908 0.100 . 1 . . . A 71 ALA CB . 25830 1 803 . 1 1 71 71 ALA N N 15 117.858 0.100 . 1 . . . A 71 ALA N . 25830 1 804 . 1 1 72 72 LEU H H 1 7.494 0.010 . 1 . . . A 72 LEU H . 25830 1 805 . 1 1 72 72 LEU HA H 1 4.097 0.010 . 1 . . . A 72 LEU HA . 25830 1 806 . 1 1 72 72 LEU HB2 H 1 2.055 0.010 . 1 . . . A 72 LEU HB2 . 25830 1 807 . 1 1 72 72 LEU HB3 H 1 2.135 0.010 . 1 . . . A 72 LEU HB3 . 25830 1 808 . 1 1 72 72 LEU HG H 1 1.324 0.010 . 1 . . . A 72 LEU HG . 25830 1 809 . 1 1 72 72 LEU HD11 H 1 0.880 0.010 . 2 . . . A 72 LEU HD11 . 25830 1 810 . 1 1 72 72 LEU HD12 H 1 0.880 0.010 . 2 . . . A 72 LEU HD12 . 25830 1 811 . 1 1 72 72 LEU HD13 H 1 0.880 0.010 . 2 . . . A 72 LEU HD13 . 25830 1 812 . 1 1 72 72 LEU HD21 H 1 0.914 0.010 . 2 . . . A 72 LEU HD21 . 25830 1 813 . 1 1 72 72 LEU HD22 H 1 0.914 0.010 . 2 . . . A 72 LEU HD22 . 25830 1 814 . 1 1 72 72 LEU HD23 H 1 0.914 0.010 . 2 . . . A 72 LEU HD23 . 25830 1 815 . 1 1 72 72 LEU C C 13 170.406 0.100 . 1 . . . A 72 LEU C . 25830 1 816 . 1 1 72 72 LEU CA C 13 57.688 0.100 . 1 . . . A 72 LEU CA . 25830 1 817 . 1 1 72 72 LEU CB C 13 36.632 0.100 . 1 . . . A 72 LEU CB . 25830 1 818 . 1 1 72 72 LEU CG C 13 25.015 0.100 . 1 . . . A 72 LEU CG . 25830 1 819 . 1 1 72 72 LEU CD1 C 13 22.780 0.100 . 1 . . . A 72 LEU CD1 . 25830 1 820 . 1 1 72 72 LEU CD2 C 13 22.048 0.100 . 1 . . . A 72 LEU CD2 . 25830 1 821 . 1 1 72 72 LEU N N 15 117.566 0.100 . 1 . . . A 72 LEU N . 25830 1 822 . 1 1 73 73 PRO HA H 1 3.793 0.010 . 1 . . . A 73 PRO HA . 25830 1 823 . 1 1 73 73 PRO HB2 H 1 2.016 0.010 . 2 . . . A 73 PRO HB2 . 25830 1 824 . 1 1 73 73 PRO HB3 H 1 1.844 0.010 . 2 . . . A 73 PRO HB3 . 25830 1 825 . 1 1 73 73 PRO HG2 H 1 1.592 0.010 . 2 . . . A 73 PRO HG2 . 25830 1 826 . 1 1 73 73 PRO HG3 H 1 2.383 0.010 . 2 . . . A 73 PRO HG3 . 25830 1 827 . 1 1 73 73 PRO HD2 H 1 3.754 0.010 . 2 . . . A 73 PRO HD2 . 25830 1 828 . 1 1 73 73 PRO HD3 H 1 3.651 0.010 . 2 . . . A 73 PRO HD3 . 25830 1 829 . 1 1 73 73 PRO C C 13 176.416 0.100 . 1 . . . A 73 PRO C . 25830 1 830 . 1 1 73 73 PRO CA C 13 64.431 0.100 . 1 . . . A 73 PRO CA . 25830 1 831 . 1 1 73 73 PRO CB C 13 27.928 0.100 . 1 . . . A 73 PRO CB . 25830 1 832 . 1 1 73 73 PRO CG C 13 26.376 0.100 . 1 . . . A 73 PRO CG . 25830 1 833 . 1 1 73 73 PRO CD C 13 46.717 0.100 . 1 . . . A 73 PRO CD . 25830 1 834 . 1 1 74 74 GLY H H 1 8.374 0.010 . 1 . . . A 74 GLY H . 25830 1 835 . 1 1 74 74 GLY HA2 H 1 3.892 0.010 . 1 . . . A 74 GLY HA2 . 25830 1 836 . 1 1 74 74 GLY HA3 H 1 3.892 0.010 . 1 . . . A 74 GLY HA3 . 25830 1 837 . 1 1 74 74 GLY C C 13 176.081 0.100 . 1 . . . A 74 GLY C . 25830 1 838 . 1 1 74 74 GLY CA C 13 44.577 0.100 . 1 . . . A 74 GLY CA . 25830 1 839 . 1 1 74 74 GLY N N 15 106.170 0.100 . 1 . . . A 74 GLY N . 25830 1 840 . 1 1 75 75 LYS H H 1 8.417 0.010 . 1 . . . A 75 LYS H . 25830 1 841 . 1 1 75 75 LYS HA H 1 4.162 0.010 . 1 . . . A 75 LYS HA . 25830 1 842 . 1 1 75 75 LYS HB2 H 1 1.859 0.010 . 1 . . . A 75 LYS HB2 . 25830 1 843 . 1 1 75 75 LYS HB3 H 1 1.595 0.010 . 1 . . . A 75 LYS HB3 . 25830 1 844 . 1 1 75 75 LYS HG2 H 1 1.489 0.010 . 2 . . . A 75 LYS HG2 . 25830 1 845 . 1 1 75 75 LYS HG3 H 1 1.627 0.010 . 2 . . . A 75 LYS HG3 . 25830 1 846 . 1 1 75 75 LYS HD2 H 1 1.732 0.010 . 1 . . . A 75 LYS HD2 . 25830 1 847 . 1 1 75 75 LYS HD3 H 1 1.732 0.010 . 1 . . . A 75 LYS HD3 . 25830 1 848 . 1 1 75 75 LYS HE2 H 1 2.995 0.010 . 2 . . . A 75 LYS HE2 . 25830 1 849 . 1 1 75 75 LYS HE3 H 1 3.183 0.010 . 2 . . . A 75 LYS HE3 . 25830 1 850 . 1 1 75 75 LYS C C 13 175.735 0.100 . 1 . . . A 75 LYS C . 25830 1 851 . 1 1 75 75 LYS CA C 13 56.053 0.100 . 1 . . . A 75 LYS CA . 25830 1 852 . 1 1 75 75 LYS CB C 13 30.087 0.100 . 1 . . . A 75 LYS CB . 25830 1 853 . 1 1 75 75 LYS CG C 13 23.718 0.100 . 1 . . . A 75 LYS CG . 25830 1 854 . 1 1 75 75 LYS CD C 13 26.644 0.100 . 1 . . . A 75 LYS CD . 25830 1 855 . 1 1 75 75 LYS CE C 13 39.748 0.100 . 1 . . . A 75 LYS CE . 25830 1 856 . 1 1 75 75 LYS N N 15 121.379 0.100 . 1 . . . A 75 LYS N . 25830 1 857 . 1 1 76 76 CYS H H 1 7.756 0.010 . 1 . . . A 76 CYS H . 25830 1 858 . 1 1 76 76 CYS HA H 1 4.895 0.010 . 1 . . . A 76 CYS HA . 25830 1 859 . 1 1 76 76 CYS HB2 H 1 2.622 0.010 . 1 . . . A 76 CYS HB2 . 25830 1 860 . 1 1 76 76 CYS HB3 H 1 3.118 0.010 . 1 . . . A 76 CYS HB3 . 25830 1 861 . 1 1 76 76 CYS C C 13 172.300 0.100 . 1 . . . A 76 CYS C . 25830 1 862 . 1 1 76 76 CYS CA C 13 49.730 0.100 . 1 . . . A 76 CYS CA . 25830 1 863 . 1 1 76 76 CYS CB C 13 32.817 0.100 . 1 . . . A 76 CYS CB . 25830 1 864 . 1 1 76 76 CYS N N 15 115.021 0.100 . 1 . . . A 76 CYS N . 25830 1 865 . 1 1 77 77 GLY H H 1 7.894 0.010 . 1 . . . A 77 GLY H . 25830 1 866 . 1 1 77 77 GLY HA2 H 1 4.010 0.010 . 2 . . . A 77 GLY HA2 . 25830 1 867 . 1 1 77 77 GLY HA3 H 1 3.854 0.010 . 2 . . . A 77 GLY HA3 . 25830 1 868 . 1 1 77 77 GLY C C 13 171.753 0.100 . 1 . . . A 77 GLY C . 25830 1 869 . 1 1 77 77 GLY CA C 13 43.794 0.100 . 1 . . . A 77 GLY CA . 25830 1 870 . 1 1 77 77 GLY N N 15 109.352 0.100 . 1 . . . A 77 GLY N . 25830 1 871 . 1 1 78 78 VAL H H 1 8.137 0.010 . 1 . . . A 78 VAL H . 25830 1 872 . 1 1 78 78 VAL HA H 1 4.491 0.010 . 1 . . . A 78 VAL HA . 25830 1 873 . 1 1 78 78 VAL HB H 1 1.919 0.010 . 1 . . . A 78 VAL HB . 25830 1 874 . 1 1 78 78 VAL HG11 H 1 0.730 0.010 . 1 . . . A 78 VAL HG11 . 25830 1 875 . 1 1 78 78 VAL HG12 H 1 0.730 0.010 . 1 . . . A 78 VAL HG12 . 25830 1 876 . 1 1 78 78 VAL HG13 H 1 0.730 0.010 . 1 . . . A 78 VAL HG13 . 25830 1 877 . 1 1 78 78 VAL HG21 H 1 0.616 0.010 . 1 . . . A 78 VAL HG21 . 25830 1 878 . 1 1 78 78 VAL HG22 H 1 0.616 0.010 . 1 . . . A 78 VAL HG22 . 25830 1 879 . 1 1 78 78 VAL HG23 H 1 0.616 0.010 . 1 . . . A 78 VAL HG23 . 25830 1 880 . 1 1 78 78 VAL C C 13 171.256 0.100 . 1 . . . A 78 VAL C . 25830 1 881 . 1 1 78 78 VAL CA C 13 56.800 0.100 . 1 . . . A 78 VAL CA . 25830 1 882 . 1 1 78 78 VAL CB C 13 31.741 0.100 . 1 . . . A 78 VAL CB . 25830 1 883 . 1 1 78 78 VAL CG1 C 13 19.147 0.100 . 1 . . . A 78 VAL CG1 . 25830 1 884 . 1 1 78 78 VAL CG2 C 13 16.784 0.100 . 1 . . . A 78 VAL CG2 . 25830 1 885 . 1 1 78 78 VAL N N 15 115.528 0.100 . 1 . . . A 78 VAL N . 25830 1 886 . 1 1 79 79 SER H H 1 8.124 0.010 . 1 . . . A 79 SER H . 25830 1 887 . 1 1 79 79 SER HA H 1 4.583 0.010 . 1 . . . A 79 SER HA . 25830 1 888 . 1 1 79 79 SER HB2 H 1 3.615 0.010 . 1 . . . A 79 SER HB2 . 25830 1 889 . 1 1 79 79 SER HB3 H 1 3.573 0.010 . 1 . . . A 79 SER HB3 . 25830 1 890 . 1 1 79 79 SER C C 13 170.681 0.100 . 1 . . . A 79 SER C . 25830 1 891 . 1 1 79 79 SER CA C 13 54.258 0.100 . 1 . . . A 79 SER CA . 25830 1 892 . 1 1 79 79 SER CB C 13 61.468 0.100 . 1 . . . A 79 SER CB . 25830 1 893 . 1 1 79 79 SER N N 15 116.418 0.100 . 1 . . . A 79 SER N . 25830 1 894 . 1 1 80 80 ILE H H 1 8.089 0.010 . 1 . . . A 80 ILE H . 25830 1 895 . 1 1 80 80 ILE HA H 1 4.639 0.010 . 1 . . . A 80 ILE HA . 25830 1 896 . 1 1 80 80 ILE HB H 1 1.241 0.010 . 1 . . . A 80 ILE HB . 25830 1 897 . 1 1 80 80 ILE HG12 H 1 0.631 0.010 . 2 . . . A 80 ILE HG12 . 25830 1 898 . 1 1 80 80 ILE HG13 H 1 1.411 0.010 . 2 . . . A 80 ILE HG13 . 25830 1 899 . 1 1 80 80 ILE HG21 H 1 0.720 0.010 . 1 . . . A 80 ILE HG21 . 25830 1 900 . 1 1 80 80 ILE HG22 H 1 0.720 0.010 . 1 . . . A 80 ILE HG22 . 25830 1 901 . 1 1 80 80 ILE HG23 H 1 0.720 0.010 . 1 . . . A 80 ILE HG23 . 25830 1 902 . 1 1 80 80 ILE HD11 H 1 0.301 0.010 . 1 . . . A 80 ILE HD11 . 25830 1 903 . 1 1 80 80 ILE HD12 H 1 0.301 0.010 . 1 . . . A 80 ILE HD12 . 25830 1 904 . 1 1 80 80 ILE HD13 H 1 0.301 0.010 . 1 . . . A 80 ILE HD13 . 25830 1 905 . 1 1 80 80 ILE C C 13 172.830 0.100 . 1 . . . A 80 ILE C . 25830 1 906 . 1 1 80 80 ILE CA C 13 55.333 0.100 . 1 . . . A 80 ILE CA . 25830 1 907 . 1 1 80 80 ILE CB C 13 38.093 0.100 . 1 . . . A 80 ILE CB . 25830 1 908 . 1 1 80 80 ILE CG1 C 13 22.874 0.100 . 1 . . . A 80 ILE CG1 . 25830 1 909 . 1 1 80 80 ILE CG2 C 13 16.490 0.100 . 1 . . . A 80 ILE CG2 . 25830 1 910 . 1 1 80 80 ILE CD1 C 13 9.981 0.100 . 1 . . . A 80 ILE CD1 . 25830 1 911 . 1 1 80 80 ILE N N 15 120.257 0.100 . 1 . . . A 80 ILE N . 25830 1 912 . 1 1 81 81 PRO HA H 1 4.547 0.010 . 1 . . . A 81 PRO HA . 25830 1 913 . 1 1 81 81 PRO HB2 H 1 2.116 0.010 . 2 . . . A 81 PRO HB2 . 25830 1 914 . 1 1 81 81 PRO HB3 H 1 1.985 0.010 . 2 . . . A 81 PRO HB3 . 25830 1 915 . 1 1 81 81 PRO HG2 H 1 1.564 0.010 . 2 . . . A 81 PRO HG2 . 25830 1 916 . 1 1 81 81 PRO HG3 H 1 2.076 0.010 . 2 . . . A 81 PRO HG3 . 25830 1 917 . 1 1 81 81 PRO HD2 H 1 3.461 0.010 . 2 . . . A 81 PRO HD2 . 25830 1 918 . 1 1 81 81 PRO HD3 H 1 3.716 0.010 . 2 . . . A 81 PRO HD3 . 25830 1 919 . 1 1 81 81 PRO C C 13 171.325 0.100 . 1 . . . A 81 PRO C . 25830 1 920 . 1 1 81 81 PRO CA C 13 60.903 0.100 . 1 . . . A 81 PRO CA . 25830 1 921 . 1 1 81 81 PRO CB C 13 27.693 0.100 . 1 . . . A 81 PRO CB . 25830 1 922 . 1 1 81 81 PRO CG C 13 24.536 0.100 . 1 . . . A 81 PRO CG . 25830 1 923 . 1 1 81 81 PRO CD C 13 47.837 0.100 . 1 . . . A 81 PRO CD . 25830 1 924 . 1 1 82 82 TYR H H 1 6.642 0.010 . 1 . . . A 82 TYR H . 25830 1 925 . 1 1 82 82 TYR HA H 1 4.732 0.010 . 1 . . . A 82 TYR HA . 25830 1 926 . 1 1 82 82 TYR HB2 H 1 2.876 0.010 . 1 . . . A 82 TYR HB2 . 25830 1 927 . 1 1 82 82 TYR HB3 H 1 2.876 0.010 . 1 . . . A 82 TYR HB3 . 25830 1 928 . 1 1 82 82 TYR HD1 H 1 6.667 0.010 . 1 . . . A 82 TYR HD1 . 25830 1 929 . 1 1 82 82 TYR HD2 H 1 6.667 0.010 . 1 . . . A 82 TYR HD2 . 25830 1 930 . 1 1 82 82 TYR HE1 H 1 6.771 0.010 . 1 . . . A 82 TYR HE1 . 25830 1 931 . 1 1 82 82 TYR HE2 H 1 6.771 0.010 . 1 . . . A 82 TYR HE2 . 25830 1 932 . 1 1 82 82 TYR C C 13 170.187 0.100 . 1 . . . A 82 TYR C . 25830 1 933 . 1 1 82 82 TYR CA C 13 51.930 0.100 . 1 . . . A 82 TYR CA . 25830 1 934 . 1 1 82 82 TYR CB C 13 37.275 0.100 . 1 . . . A 82 TYR CB . 25830 1 935 . 1 1 82 82 TYR CD1 C 13 131.427 0.100 . 1 . . . A 82 TYR CD1 . 25830 1 936 . 1 1 82 82 TYR CE1 C 13 115.246 0.100 . 1 . . . A 82 TYR CE1 . 25830 1 937 . 1 1 82 82 TYR N N 15 115.259 0.100 . 1 . . . A 82 TYR N . 25830 1 938 . 1 1 83 83 LYS H H 1 8.301 0.010 . 1 . . . A 83 LYS H . 25830 1 939 . 1 1 83 83 LYS HA H 1 4.464 0.010 . 1 . . . A 83 LYS HA . 25830 1 940 . 1 1 83 83 LYS HB2 H 1 1.637 0.010 . 2 . . . A 83 LYS HB2 . 25830 1 941 . 1 1 83 83 LYS HB3 H 1 1.574 0.010 . 2 . . . A 83 LYS HB3 . 25830 1 942 . 1 1 83 83 LYS HG2 H 1 1.344 0.010 . 2 . . . A 83 LYS HG2 . 25830 1 943 . 1 1 83 83 LYS HG3 H 1 1.452 0.010 . 2 . . . A 83 LYS HG3 . 25830 1 944 . 1 1 83 83 LYS HD2 H 1 1.619 0.010 . 2 . . . A 83 LYS HD2 . 25830 1 945 . 1 1 83 83 LYS HD3 H 1 1.662 0.010 . 2 . . . A 83 LYS HD3 . 25830 1 946 . 1 1 83 83 LYS HE2 H 1 2.938 0.010 . 1 . . . A 83 LYS HE2 . 25830 1 947 . 1 1 83 83 LYS HE3 H 1 2.938 0.010 . 1 . . . A 83 LYS HE3 . 25830 1 948 . 1 1 83 83 LYS C C 13 174.342 0.100 . 1 . . . A 83 LYS C . 25830 1 949 . 1 1 83 83 LYS CA C 13 51.653 0.100 . 1 . . . A 83 LYS CA . 25830 1 950 . 1 1 83 83 LYS CB C 13 31.513 0.100 . 1 . . . A 83 LYS CB . 25830 1 951 . 1 1 83 83 LYS CG C 13 22.261 0.100 . 1 . . . A 83 LYS CG . 25830 1 952 . 1 1 83 83 LYS CD C 13 26.496 0.100 . 1 . . . A 83 LYS CD . 25830 1 953 . 1 1 83 83 LYS CE C 13 39.358 0.100 . 1 . . . A 83 LYS CE . 25830 1 954 . 1 1 83 83 LYS N N 15 116.992 0.100 . 1 . . . A 83 LYS N . 25830 1 955 . 1 1 84 84 ILE H H 1 9.304 0.010 . 1 . . . A 84 ILE H . 25830 1 956 . 1 1 84 84 ILE HA H 1 3.913 0.010 . 1 . . . A 84 ILE HA . 25830 1 957 . 1 1 84 84 ILE HB H 1 1.796 0.010 . 1 . . . A 84 ILE HB . 25830 1 958 . 1 1 84 84 ILE HG12 H 1 1.798 0.010 . 2 . . . A 84 ILE HG12 . 25830 1 959 . 1 1 84 84 ILE HG13 H 1 0.964 0.010 . 2 . . . A 84 ILE HG13 . 25830 1 960 . 1 1 84 84 ILE HG21 H 1 0.722 0.010 . 1 . . . A 84 ILE HG21 . 25830 1 961 . 1 1 84 84 ILE HG22 H 1 0.722 0.010 . 1 . . . A 84 ILE HG22 . 25830 1 962 . 1 1 84 84 ILE HG23 H 1 0.722 0.010 . 1 . . . A 84 ILE HG23 . 25830 1 963 . 1 1 84 84 ILE HD11 H 1 0.892 0.010 . 1 . . . A 84 ILE HD11 . 25830 1 964 . 1 1 84 84 ILE HD12 H 1 0.892 0.010 . 1 . . . A 84 ILE HD12 . 25830 1 965 . 1 1 84 84 ILE HD13 H 1 0.892 0.010 . 1 . . . A 84 ILE HD13 . 25830 1 966 . 1 1 84 84 ILE C C 13 170.945 0.100 . 1 . . . A 84 ILE C . 25830 1 967 . 1 1 84 84 ILE CA C 13 59.761 0.100 . 1 . . . A 84 ILE CA . 25830 1 968 . 1 1 84 84 ILE CB C 13 33.534 0.100 . 1 . . . A 84 ILE CB . 25830 1 969 . 1 1 84 84 ILE CG1 C 13 24.593 0.100 . 1 . . . A 84 ILE CG1 . 25830 1 970 . 1 1 84 84 ILE CG2 C 13 13.734 0.100 . 1 . . . A 84 ILE CG2 . 25830 1 971 . 1 1 84 84 ILE CD1 C 13 10.559 0.100 . 1 . . . A 84 ILE CD1 . 25830 1 972 . 1 1 84 84 ILE N N 15 126.906 0.100 . 1 . . . A 84 ILE N . 25830 1 973 . 1 1 85 85 SER H H 1 7.256 0.010 . 1 . . . A 85 SER H . 25830 1 974 . 1 1 85 85 SER HA H 1 4.563 0.010 . 1 . . . A 85 SER HA . 25830 1 975 . 1 1 85 85 SER HB2 H 1 3.505 0.010 . 2 . . . A 85 SER HB2 . 25830 1 976 . 1 1 85 85 SER HB3 H 1 3.898 0.010 . 2 . . . A 85 SER HB3 . 25830 1 977 . 1 1 85 85 SER C C 13 171.695 0.100 . 1 . . . A 85 SER C . 25830 1 978 . 1 1 85 85 SER CA C 13 53.394 0.100 . 1 . . . A 85 SER CA . 25830 1 979 . 1 1 85 85 SER CB C 13 61.638 0.100 . 1 . . . A 85 SER CB . 25830 1 980 . 1 1 85 85 SER N N 15 120.246 0.100 . 1 . . . A 85 SER N . 25830 1 981 . 1 1 86 86 THR H H 1 8.819 0.010 . 1 . . . A 86 THR H . 25830 1 982 . 1 1 86 86 THR HA H 1 4.147 0.010 . 1 . . . A 86 THR HA . 25830 1 983 . 1 1 86 86 THR HB H 1 4.399 0.010 . 1 . . . A 86 THR HB . 25830 1 984 . 1 1 86 86 THR HG21 H 1 1.237 0.010 . 1 . . . A 86 THR HG21 . 25830 1 985 . 1 1 86 86 THR HG22 H 1 1.237 0.010 . 1 . . . A 86 THR HG22 . 25830 1 986 . 1 1 86 86 THR HG23 H 1 1.237 0.010 . 1 . . . A 86 THR HG23 . 25830 1 987 . 1 1 86 86 THR C C 13 172.663 0.100 . 1 . . . A 86 THR C . 25830 1 988 . 1 1 86 86 THR CA C 13 61.527 0.100 . 1 . . . A 86 THR CA . 25830 1 989 . 1 1 86 86 THR CB C 13 65.858 0.100 . 1 . . . A 86 THR CB . 25830 1 990 . 1 1 86 86 THR CG2 C 13 19.263 0.100 . 1 . . . A 86 THR CG2 . 25830 1 991 . 1 1 86 86 THR N N 15 115.458 0.100 . 1 . . . A 86 THR N . 25830 1 992 . 1 1 87 87 SER H H 1 8.239 0.010 . 1 . . . A 87 SER H . 25830 1 993 . 1 1 87 87 SER HA H 1 4.524 0.010 . 1 . . . A 87 SER HA . 25830 1 994 . 1 1 87 87 SER HB2 H 1 3.794 0.010 . 2 . . . A 87 SER HB2 . 25830 1 995 . 1 1 87 87 SER HB3 H 1 3.897 0.010 . 2 . . . A 87 SER HB3 . 25830 1 996 . 1 1 87 87 SER C C 13 172.010 0.100 . 1 . . . A 87 SER C . 25830 1 997 . 1 1 87 87 SER CA C 13 55.408 0.100 . 1 . . . A 87 SER CA . 25830 1 998 . 1 1 87 87 SER CB C 13 61.144 0.100 . 1 . . . A 87 SER CB . 25830 1 999 . 1 1 87 87 SER N N 15 114.029 0.100 . 1 . . . A 87 SER N . 25830 1 1000 . 1 1 88 88 THR H H 1 7.142 0.010 . 1 . . . A 88 THR H . 25830 1 1001 . 1 1 88 88 THR HA H 1 3.808 0.010 . 1 . . . A 88 THR HA . 25830 1 1002 . 1 1 88 88 THR HB H 1 4.087 0.010 . 1 . . . A 88 THR HB . 25830 1 1003 . 1 1 88 88 THR HG21 H 1 1.088 0.010 . 1 . . . A 88 THR HG21 . 25830 1 1004 . 1 1 88 88 THR HG22 H 1 1.088 0.010 . 1 . . . A 88 THR HG22 . 25830 1 1005 . 1 1 88 88 THR HG23 H 1 1.088 0.010 . 1 . . . A 88 THR HG23 . 25830 1 1006 . 1 1 88 88 THR C C 13 181.273 0.100 . 1 . . . A 88 THR C . 25830 1 1007 . 1 1 88 88 THR CA C 13 61.409 0.100 . 1 . . . A 88 THR CA . 25830 1 1008 . 1 1 88 88 THR CB C 13 67.556 0.100 . 1 . . . A 88 THR CB . 25830 1 1009 . 1 1 88 88 THR CG2 C 13 19.243 0.100 . 1 . . . A 88 THR CG2 . 25830 1 1010 . 1 1 88 88 THR N N 15 120.831 0.100 . 1 . . . A 88 THR N . 25830 1 1011 . 1 1 89 89 ASN H H 1 8.754 0.010 . 1 . . . A 89 ASN H . 25830 1 1012 . 1 1 89 89 ASN HA H 1 4.819 0.010 . 1 . . . A 89 ASN HA . 25830 1 1013 . 1 1 89 89 ASN HB2 H 1 3.085 0.010 . 1 . . . A 89 ASN HB2 . 25830 1 1014 . 1 1 89 89 ASN HB3 H 1 2.668 0.010 . 1 . . . A 89 ASN HB3 . 25830 1 1015 . 1 1 89 89 ASN HD21 H 1 7.486 0.010 . 1 . . . A 89 ASN HD21 . 25830 1 1016 . 1 1 89 89 ASN HD22 H 1 7.004 0.010 . 1 . . . A 89 ASN HD22 . 25830 1 1017 . 1 1 89 89 ASN C C 13 173.325 0.100 . 1 . . . A 89 ASN C . 25830 1 1018 . 1 1 89 89 ASN CA C 13 48.483 0.100 . 1 . . . A 89 ASN CA . 25830 1 1019 . 1 1 89 89 ASN CB C 13 34.958 0.100 . 1 . . . A 89 ASN CB . 25830 1 1020 . 1 1 89 89 ASN N N 15 124.818 0.100 . 1 . . . A 89 ASN N . 25830 1 1021 . 1 1 89 89 ASN ND2 N 15 111.412 0.100 . 1 . . . A 89 ASN ND2 . 25830 1 1022 . 1 1 90 90 CYS H H 1 8.790 0.010 . 1 . . . A 90 CYS H . 25830 1 1023 . 1 1 90 90 CYS HA H 1 4.174 0.010 . 1 . . . A 90 CYS HA . 25830 1 1024 . 1 1 90 90 CYS HB2 H 1 2.957 0.010 . 1 . . . A 90 CYS HB2 . 25830 1 1025 . 1 1 90 90 CYS HB3 H 1 2.823 0.010 . 1 . . . A 90 CYS HB3 . 25830 1 1026 . 1 1 90 90 CYS C C 13 172.573 0.100 . 1 . . . A 90 CYS C . 25830 1 1027 . 1 1 90 90 CYS CA C 13 54.158 0.100 . 1 . . . A 90 CYS CA . 25830 1 1028 . 1 1 90 90 CYS CB C 13 36.687 0.100 . 1 . . . A 90 CYS CB . 25830 1 1029 . 1 1 90 90 CYS N N 15 123.361 0.100 . 1 . . . A 90 CYS N . 25830 1 1030 . 1 1 91 91 ASN H H 1 8.320 0.010 . 1 . . . A 91 ASN H . 25830 1 1031 . 1 1 91 91 ASN HA H 1 4.578 0.010 . 1 . . . A 91 ASN HA . 25830 1 1032 . 1 1 91 91 ASN HB2 H 1 2.827 0.010 . 2 . . . A 91 ASN HB2 . 25830 1 1033 . 1 1 91 91 ASN HB3 H 1 2.882 0.010 . 2 . . . A 91 ASN HB3 . 25830 1 1034 . 1 1 91 91 ASN HD21 H 1 7.551 0.010 . 1 . . . A 91 ASN HD21 . 25830 1 1035 . 1 1 91 91 ASN HD22 H 1 6.941 0.010 . 1 . . . A 91 ASN HD22 . 25830 1 1036 . 1 1 91 91 ASN C C 13 173.584 0.100 . 1 . . . A 91 ASN C . 25830 1 1037 . 1 1 91 91 ASN CA C 13 52.264 0.100 . 1 . . . A 91 ASN CA . 25830 1 1038 . 1 1 91 91 ASN CB C 13 35.690 0.100 . 1 . . . A 91 ASN CB . 25830 1 1039 . 1 1 91 91 ASN N N 15 115.199 0.100 . 1 . . . A 91 ASN N . 25830 1 1040 . 1 1 91 91 ASN ND2 N 15 113.059 0.100 . 1 . . . A 91 ASN ND2 . 25830 1 1041 . 1 1 92 92 THR H H 1 7.338 0.010 . 1 . . . A 92 THR H . 25830 1 1042 . 1 1 92 92 THR HA H 1 4.388 0.010 . 1 . . . A 92 THR HA . 25830 1 1043 . 1 1 92 92 THR HB H 1 4.418 0.010 . 1 . . . A 92 THR HB . 25830 1 1044 . 1 1 92 92 THR HG21 H 1 1.061 0.010 . 1 . . . A 92 THR HG21 . 25830 1 1045 . 1 1 92 92 THR HG22 H 1 1.061 0.010 . 1 . . . A 92 THR HG22 . 25830 1 1046 . 1 1 92 92 THR HG23 H 1 1.061 0.010 . 1 . . . A 92 THR HG23 . 25830 1 1047 . 1 1 92 92 THR C C 13 171.702 0.100 . 1 . . . A 92 THR C . 25830 1 1048 . 1 1 92 92 THR CA C 13 58.280 0.100 . 1 . . . A 92 THR CA . 25830 1 1049 . 1 1 92 92 THR CB C 13 66.107 0.100 . 1 . . . A 92 THR CB . 25830 1 1050 . 1 1 92 92 THR CG2 C 13 18.726 0.100 . 1 . . . A 92 THR CG2 . 25830 1 1051 . 1 1 92 92 THR N N 15 107.497 0.100 . 1 . . . A 92 THR N . 25830 1 1052 . 1 1 93 93 VAL H H 1 6.806 0.010 . 1 . . . A 93 VAL H . 25830 1 1053 . 1 1 93 93 VAL HA H 1 3.667 0.010 . 1 . . . A 93 VAL HA . 25830 1 1054 . 1 1 93 93 VAL HB H 1 1.584 0.010 . 1 . . . A 93 VAL HB . 25830 1 1055 . 1 1 93 93 VAL HG11 H 1 0.175 0.010 . 1 . . . A 93 VAL HG11 . 25830 1 1056 . 1 1 93 93 VAL HG12 H 1 0.175 0.010 . 1 . . . A 93 VAL HG12 . 25830 1 1057 . 1 1 93 93 VAL HG13 H 1 0.175 0.010 . 1 . . . A 93 VAL HG13 . 25830 1 1058 . 1 1 93 93 VAL HG21 H 1 0.811 0.010 . 1 . . . A 93 VAL HG21 . 25830 1 1059 . 1 1 93 93 VAL HG22 H 1 0.811 0.010 . 1 . . . A 93 VAL HG22 . 25830 1 1060 . 1 1 93 93 VAL HG23 H 1 0.811 0.010 . 1 . . . A 93 VAL HG23 . 25830 1 1061 . 1 1 93 93 VAL C C 13 172.207 0.100 . 1 . . . A 93 VAL C . 25830 1 1062 . 1 1 93 93 VAL CA C 13 59.846 0.100 . 1 . . . A 93 VAL CA . 25830 1 1063 . 1 1 93 93 VAL CB C 13 29.999 0.100 . 1 . . . A 93 VAL CB . 25830 1 1064 . 1 1 93 93 VAL CG1 C 13 18.473 0.100 . 1 . . . A 93 VAL CG1 . 25830 1 1065 . 1 1 93 93 VAL CG2 C 13 19.212 0.100 . 1 . . . A 93 VAL CG2 . 25830 1 1066 . 1 1 93 93 VAL N N 15 123.151 0.100 . 1 . . . A 93 VAL N . 25830 1 1067 . 1 1 94 94 ARG H H 1 8.201 0.010 . 1 . . . A 94 ARG H . 25830 1 1068 . 1 1 94 94 ARG HA H 1 4.339 0.010 . 1 . . . A 94 ARG HA . 25830 1 1069 . 1 1 94 94 ARG HB2 H 1 1.643 0.010 . 1 . . . A 94 ARG HB2 . 25830 1 1070 . 1 1 94 94 ARG HB3 H 1 1.784 0.010 . 1 . . . A 94 ARG HB3 . 25830 1 1071 . 1 1 94 94 ARG HG2 H 1 1.598 0.010 . 2 . . . A 94 ARG HG2 . 25830 1 1072 . 1 1 94 94 ARG HG3 H 1 1.516 0.010 . 2 . . . A 94 ARG HG3 . 25830 1 1073 . 1 1 94 94 ARG HD2 H 1 3.151 0.010 . 1 . . . A 94 ARG HD2 . 25830 1 1074 . 1 1 94 94 ARG HD3 H 1 3.151 0.010 . 1 . . . A 94 ARG HD3 . 25830 1 1075 . 1 1 94 94 ARG HE H 1 7.105 0.010 . 1 . . . A 94 ARG HE . 25830 1 1076 . 1 1 94 94 ARG C C 13 171.859 0.100 . 1 . . . A 94 ARG C . 25830 1 1077 . 1 1 94 94 ARG CA C 13 52.395 0.100 . 1 . . . A 94 ARG CA . 25830 1 1078 . 1 1 94 94 ARG CB C 13 26.973 0.100 . 1 . . . A 94 ARG CB . 25830 1 1079 . 1 1 94 94 ARG CG C 13 24.358 0.100 . 1 . . . A 94 ARG CG . 25830 1 1080 . 1 1 94 94 ARG CD C 13 40.616 0.100 . 1 . . . A 94 ARG CD . 25830 1 1081 . 1 1 94 94 ARG N N 15 127.129 0.100 . 1 . . . A 94 ARG N . 25830 1 1082 . 1 1 94 94 ARG NE N 15 85.126 0.100 . 1 . . . A 94 ARG NE . 25830 1 1083 . 1 1 95 95 PHE H H 1 7.814 0.010 . 1 . . . A 95 PHE H . 25830 1 1084 . 1 1 95 95 PHE HA H 1 4.301 0.010 . 1 . . . A 95 PHE HA . 25830 1 1085 . 1 1 95 95 PHE HB2 H 1 2.763 0.010 . 1 . . . A 95 PHE HB2 . 25830 1 1086 . 1 1 95 95 PHE HB3 H 1 3.226 0.010 . 1 . . . A 95 PHE HB3 . 25830 1 1087 . 1 1 95 95 PHE HD1 H 1 7.282 0.010 . 1 . . . A 95 PHE HD1 . 25830 1 1088 . 1 1 95 95 PHE HD2 H 1 7.282 0.010 . 1 . . . A 95 PHE HD2 . 25830 1 1089 . 1 1 95 95 PHE HE1 H 1 7.298 0.010 . 1 . . . A 95 PHE HE1 . 25830 1 1090 . 1 1 95 95 PHE HE2 H 1 7.298 0.010 . 1 . . . A 95 PHE HE2 . 25830 1 1091 . 1 1 95 95 PHE HZ H 1 6.963 0.010 . 1 . . . A 95 PHE HZ . 25830 1 1092 . 1 1 95 95 PHE C C 13 178.035 0.100 . 1 . . . A 95 PHE C . 25830 1 1093 . 1 1 95 95 PHE CA C 13 57.874 0.100 . 1 . . . A 95 PHE CA . 25830 1 1094 . 1 1 95 95 PHE CB C 13 38.174 0.100 . 1 . . . A 95 PHE CB . 25830 1 1095 . 1 1 95 95 PHE CD1 C 13 129.852 0.100 . 1 . . . A 95 PHE CD1 . 25830 1 1096 . 1 1 95 95 PHE CE1 C 13 128.914 0.100 . 1 . . . A 95 PHE CE1 . 25830 1 1097 . 1 1 95 95 PHE CZ C 13 126.528 0.100 . 1 . . . A 95 PHE CZ . 25830 1 1098 . 1 1 95 95 PHE N N 15 128.801 0.100 . 1 . . . A 95 PHE N . 25830 1 stop_ save_