data_25994 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25994 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for designed protein E_1r26 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-03-12 _Entry.Accession_date 2016-03-22 _Entry.Last_release_date 2016-10-13 _Entry.Original_release_date 2016-10-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1.1.99 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 Xiaoqun Zhou . . . . 25994 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' . 25994 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'designed protein' . 25994 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25994 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 311 25994 '15N chemical shifts' 106 25994 '1H chemical shifts' 591 25994 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-03-04 2016-03-12 update BMRB 'update entry citation' 25994 1 . . 2016-10-13 2016-03-12 original author 'original release' 25994 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2NBS 'BMRB Entry Tracking System' 25994 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25994 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 27522946 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Proteins of well-defined structures can be designed without backbone readjustment by a statistical model. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Biol.' _Citation.Journal_name_full 'Journal of structural biology' _Citation.Journal_volume 196 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1095-8657 _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 350 _Citation.Page_last 357 _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 Xiaoqun Zhou X. . . . 25994 1 2 Peng Xiong P. . . . 25994 1 3 Meng Wang M. . . . 25994 1 4 Rongsheng Ma R. . . . 25994 1 5 Jiahai Zhang J. . . . 25994 1 6 Quan Chen Q. . . . 25994 1 7 Haiyan Liu H. . . . 25994 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25994 _Assembly.ID 1 _Assembly.Name 'designed protein E_1r26' _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 entity 1 $E_1r26 A . yes native no no . . . 25994 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_E_1r26 _Entity.Sf_category entity _Entity.Sf_framecode E_1r26 _Entity.Entry_ID 25994 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name E_1r26 _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 ; MARPSNVKPSPHVIKSLEEL REATASNRISVIVFTHPDSK RSKEIKEKLKKLAEEFPDVD IYLVDTSTNPEAREWYNITS VPTFVIEKGGEPLGEVKGPD IDKLRETLDELLARLEHHHH HH ; _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 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 25994 1 2 2 ALA . 25994 1 3 3 ARG . 25994 1 4 4 PRO . 25994 1 5 5 SER . 25994 1 6 6 ASN . 25994 1 7 7 VAL . 25994 1 8 8 LYS . 25994 1 9 9 PRO . 25994 1 10 10 SER . 25994 1 11 11 PRO . 25994 1 12 12 HIS . 25994 1 13 13 VAL . 25994 1 14 14 ILE . 25994 1 15 15 LYS . 25994 1 16 16 SER . 25994 1 17 17 LEU . 25994 1 18 18 GLU . 25994 1 19 19 GLU . 25994 1 20 20 LEU . 25994 1 21 21 ARG . 25994 1 22 22 GLU . 25994 1 23 23 ALA . 25994 1 24 24 THR . 25994 1 25 25 ALA . 25994 1 26 26 SER . 25994 1 27 27 ASN . 25994 1 28 28 ARG . 25994 1 29 29 ILE . 25994 1 30 30 SER . 25994 1 31 31 VAL . 25994 1 32 32 ILE . 25994 1 33 33 VAL . 25994 1 34 34 PHE . 25994 1 35 35 THR . 25994 1 36 36 HIS . 25994 1 37 37 PRO . 25994 1 38 38 ASP . 25994 1 39 39 SER . 25994 1 40 40 LYS . 25994 1 41 41 ARG . 25994 1 42 42 SER . 25994 1 43 43 LYS . 25994 1 44 44 GLU . 25994 1 45 45 ILE . 25994 1 46 46 LYS . 25994 1 47 47 GLU . 25994 1 48 48 LYS . 25994 1 49 49 LEU . 25994 1 50 50 LYS . 25994 1 51 51 LYS . 25994 1 52 52 LEU . 25994 1 53 53 ALA . 25994 1 54 54 GLU . 25994 1 55 55 GLU . 25994 1 56 56 PHE . 25994 1 57 57 PRO . 25994 1 58 58 ASP . 25994 1 59 59 VAL . 25994 1 60 60 ASP . 25994 1 61 61 ILE . 25994 1 62 62 TYR . 25994 1 63 63 LEU . 25994 1 64 64 VAL . 25994 1 65 65 ASP . 25994 1 66 66 THR . 25994 1 67 67 SER . 25994 1 68 68 THR . 25994 1 69 69 ASN . 25994 1 70 70 PRO . 25994 1 71 71 GLU . 25994 1 72 72 ALA . 25994 1 73 73 ARG . 25994 1 74 74 GLU . 25994 1 75 75 TRP . 25994 1 76 76 TYR . 25994 1 77 77 ASN . 25994 1 78 78 ILE . 25994 1 79 79 THR . 25994 1 80 80 SER . 25994 1 81 81 VAL . 25994 1 82 82 PRO . 25994 1 83 83 THR . 25994 1 84 84 PHE . 25994 1 85 85 VAL . 25994 1 86 86 ILE . 25994 1 87 87 GLU . 25994 1 88 88 LYS . 25994 1 89 89 GLY . 25994 1 90 90 GLY . 25994 1 91 91 GLU . 25994 1 92 92 PRO . 25994 1 93 93 LEU . 25994 1 94 94 GLY . 25994 1 95 95 GLU . 25994 1 96 96 VAL . 25994 1 97 97 LYS . 25994 1 98 98 GLY . 25994 1 99 99 PRO . 25994 1 100 100 ASP . 25994 1 101 101 ILE . 25994 1 102 102 ASP . 25994 1 103 103 LYS . 25994 1 104 104 LEU . 25994 1 105 105 ARG . 25994 1 106 106 GLU . 25994 1 107 107 THR . 25994 1 108 108 LEU . 25994 1 109 109 ASP . 25994 1 110 110 GLU . 25994 1 111 111 LEU . 25994 1 112 112 LEU . 25994 1 113 113 ALA . 25994 1 114 114 ARG . 25994 1 115 115 LEU . 25994 1 116 116 GLU . 25994 1 117 117 HIS . 25994 1 118 118 HIS . 25994 1 119 119 HIS . 25994 1 120 120 HIS . 25994 1 121 121 HIS . 25994 1 122 122 HIS . 25994 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25994 1 . ALA 2 2 25994 1 . ARG 3 3 25994 1 . PRO 4 4 25994 1 . SER 5 5 25994 1 . ASN 6 6 25994 1 . VAL 7 7 25994 1 . LYS 8 8 25994 1 . PRO 9 9 25994 1 . SER 10 10 25994 1 . PRO 11 11 25994 1 . HIS 12 12 25994 1 . VAL 13 13 25994 1 . ILE 14 14 25994 1 . LYS 15 15 25994 1 . SER 16 16 25994 1 . LEU 17 17 25994 1 . GLU 18 18 25994 1 . GLU 19 19 25994 1 . LEU 20 20 25994 1 . ARG 21 21 25994 1 . GLU 22 22 25994 1 . ALA 23 23 25994 1 . THR 24 24 25994 1 . ALA 25 25 25994 1 . SER 26 26 25994 1 . ASN 27 27 25994 1 . ARG 28 28 25994 1 . ILE 29 29 25994 1 . SER 30 30 25994 1 . VAL 31 31 25994 1 . ILE 32 32 25994 1 . VAL 33 33 25994 1 . PHE 34 34 25994 1 . THR 35 35 25994 1 . HIS 36 36 25994 1 . PRO 37 37 25994 1 . ASP 38 38 25994 1 . SER 39 39 25994 1 . LYS 40 40 25994 1 . ARG 41 41 25994 1 . SER 42 42 25994 1 . LYS 43 43 25994 1 . GLU 44 44 25994 1 . ILE 45 45 25994 1 . LYS 46 46 25994 1 . GLU 47 47 25994 1 . LYS 48 48 25994 1 . LEU 49 49 25994 1 . LYS 50 50 25994 1 . LYS 51 51 25994 1 . LEU 52 52 25994 1 . ALA 53 53 25994 1 . GLU 54 54 25994 1 . GLU 55 55 25994 1 . PHE 56 56 25994 1 . PRO 57 57 25994 1 . ASP 58 58 25994 1 . VAL 59 59 25994 1 . ASP 60 60 25994 1 . ILE 61 61 25994 1 . TYR 62 62 25994 1 . LEU 63 63 25994 1 . VAL 64 64 25994 1 . ASP 65 65 25994 1 . THR 66 66 25994 1 . SER 67 67 25994 1 . THR 68 68 25994 1 . ASN 69 69 25994 1 . PRO 70 70 25994 1 . GLU 71 71 25994 1 . ALA 72 72 25994 1 . ARG 73 73 25994 1 . GLU 74 74 25994 1 . TRP 75 75 25994 1 . TYR 76 76 25994 1 . ASN 77 77 25994 1 . ILE 78 78 25994 1 . THR 79 79 25994 1 . SER 80 80 25994 1 . VAL 81 81 25994 1 . PRO 82 82 25994 1 . THR 83 83 25994 1 . PHE 84 84 25994 1 . VAL 85 85 25994 1 . ILE 86 86 25994 1 . GLU 87 87 25994 1 . LYS 88 88 25994 1 . GLY 89 89 25994 1 . GLY 90 90 25994 1 . GLU 91 91 25994 1 . PRO 92 92 25994 1 . LEU 93 93 25994 1 . GLY 94 94 25994 1 . GLU 95 95 25994 1 . VAL 96 96 25994 1 . LYS 97 97 25994 1 . GLY 98 98 25994 1 . PRO 99 99 25994 1 . ASP 100 100 25994 1 . ILE 101 101 25994 1 . ASP 102 102 25994 1 . LYS 103 103 25994 1 . LEU 104 104 25994 1 . ARG 105 105 25994 1 . GLU 106 106 25994 1 . THR 107 107 25994 1 . LEU 108 108 25994 1 . ASP 109 109 25994 1 . GLU 110 110 25994 1 . LEU 111 111 25994 1 . LEU 112 112 25994 1 . ALA 113 113 25994 1 . ARG 114 114 25994 1 . LEU 115 115 25994 1 . GLU 116 116 25994 1 . HIS 117 117 25994 1 . HIS 118 118 25994 1 . HIS 119 119 25994 1 . HIS 120 120 25994 1 . HIS 121 121 25994 1 . HIS 122 122 25994 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 25994 _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 $E_1r26 . . 'not applicable' . . . . . . . . . . . . . . . . . . . . . . 25994 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 25994 _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 $E_1r26 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . Pet22b . . . 25994 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25994 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $E_1r26 . protein . . . mM . . . . 25994 1 2 'sodium phosphate' 'natural abundance' . . . . . buffer 0.02 . . mM . . . . 25994 1 3 EDTA 'natural abundance' . . . . . . 0.01 . . mM . . . . 25994 1 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 25994 1 5 D2O [U-2H] . . . . . solvent 10 . . % . . . . 25994 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 25994 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 25994 1 pH 6.5 . pH 25994 1 pressure 1 . atm 25994 1 temperature 298 . K 25994 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25994 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25994 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure solution' 25994 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25994 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 25994 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 DMX . 600 . . . 25994 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 25994 _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 . . . . . . . . . . . . . . . . 25994 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25994 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25994 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25994 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25994 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25994 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25994 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25994 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25994 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25994 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 25994 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . 25994 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.000000000 . . . . . 25994 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 25994 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 25994 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 25994 1 2 '3D CBCA(CO)NH' 1 $sample_1 isotropic 25994 1 3 '3D C(CO)NH' 1 $sample_1 isotropic 25994 1 4 '3D HNCACB' 1 $sample_1 isotropic 25994 1 7 '3D HN(CO)CA' 1 $sample_1 isotropic 25994 1 8 '3D H(CCO)NH' 1 $sample_1 isotropic 25994 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET HB2 H 1 2.162 . . . . . . . A 1 MET HB2 . 25994 1 2 . 1 . 1 1 1 MET HB3 H 1 2.162 . . . . . . . A 1 MET HB3 . 25994 1 3 . 1 . 1 1 1 MET HG2 H 1 2.488 . . . . . . . A 1 MET HG2 . 25994 1 4 . 1 . 1 1 1 MET HG3 H 1 2.488 . . . . . . . A 1 MET HG3 . 25994 1 5 . 1 . 1 2 2 ALA H H 1 8.047 . . . . . . . A 2 ALA H . 25994 1 6 . 1 . 1 2 2 ALA HA H 1 3.949 . . . . . . . A 2 ALA HA . 25994 1 7 . 1 . 1 2 2 ALA HB1 H 1 1.357 . . . . . . . A 2 ALA HB1 . 25994 1 8 . 1 . 1 2 2 ALA HB2 H 1 1.357 . . . . . . . A 2 ALA HB2 . 25994 1 9 . 1 . 1 2 2 ALA HB3 H 1 1.357 . . . . . . . A 2 ALA HB3 . 25994 1 10 . 1 . 1 2 2 ALA CA C 13 54.563 . . . . . . . A 2 ALA CA . 25994 1 11 . 1 . 1 2 2 ALA CB C 13 18.570 . . . . . . . A 2 ALA CB . 25994 1 12 . 1 . 1 2 2 ALA N N 15 119.005 . . . . . . . A 2 ALA N . 25994 1 13 . 1 . 1 3 3 ARG H H 1 7.274 . . . . . . . A 3 ARG H . 25994 1 14 . 1 . 1 3 3 ARG HA H 1 4.130 . . . . . . . A 3 ARG HA . 25994 1 15 . 1 . 1 3 3 ARG CA C 13 58.250 . . . . . . . A 3 ARG CA . 25994 1 16 . 1 . 1 3 3 ARG CB C 13 29.788 . . . . . . . A 3 ARG CB . 25994 1 17 . 1 . 1 3 3 ARG N N 15 115.336 . . . . . . . A 3 ARG N . 25994 1 18 . 1 . 1 4 4 PRO HA H 1 4.447 . . . . . . . A 4 PRO HA . 25994 1 19 . 1 . 1 4 4 PRO HB3 H 1 2.321 . . . . . . . A 4 PRO HB3 . 25994 1 20 . 1 . 1 4 4 PRO HG2 H 1 2.007 . . . . . . . A 4 PRO HG2 . 25994 1 21 . 1 . 1 4 4 PRO HG3 H 1 2.007 . . . . . . . A 4 PRO HG3 . 25994 1 22 . 1 . 1 4 4 PRO HD2 H 1 3.851 . . . . . . . A 4 PRO HD2 . 25994 1 23 . 1 . 1 4 4 PRO CA C 13 63.291 . . . . . . . A 4 PRO CA . 25994 1 24 . 1 . 1 4 4 PRO CB C 13 32.080 . . . . . . . A 4 PRO CB . 25994 1 25 . 1 . 1 4 4 PRO CG C 13 27.412 . . . . . . . A 4 PRO CG . 25994 1 26 . 1 . 1 4 4 PRO CD C 13 50.674 . . . . . . . A 4 PRO CD . 25994 1 27 . 1 . 1 5 5 SER H H 1 8.504 . . . . . . . A 5 SER H . 25994 1 28 . 1 . 1 5 5 SER HA H 1 4.385 . . . . . . . A 5 SER HA . 25994 1 29 . 1 . 1 5 5 SER HB2 H 1 3.845 . . . . . . . A 5 SER HB2 . 25994 1 30 . 1 . 1 5 5 SER HB3 H 1 3.845 . . . . . . . A 5 SER HB3 . 25994 1 31 . 1 . 1 5 5 SER CA C 13 58.578 . . . . . . . A 5 SER CA . 25994 1 32 . 1 . 1 5 5 SER CB C 13 63.891 . . . . . . . A 5 SER CB . 25994 1 33 . 1 . 1 5 5 SER N N 15 116.182 . . . . . . . A 5 SER N . 25994 1 34 . 1 . 1 6 6 ASN H H 1 8.484 . . . . . . . A 6 ASN H . 25994 1 35 . 1 . 1 6 6 ASN HA H 1 4.694 . . . . . . . A 6 ASN HA . 25994 1 36 . 1 . 1 6 6 ASN HB2 H 1 2.798 . . . . . . . A 6 ASN HB2 . 25994 1 37 . 1 . 1 6 6 ASN HB3 H 1 2.798 . . . . . . . A 6 ASN HB3 . 25994 1 38 . 1 . 1 6 6 ASN CA C 13 53.235 . . . . . . . A 6 ASN CA . 25994 1 39 . 1 . 1 6 6 ASN CB C 13 38.474 . . . . . . . A 6 ASN CB . 25994 1 40 . 1 . 1 6 6 ASN N N 15 120.082 . . . . . . . A 6 ASN N . 25994 1 41 . 1 . 1 7 7 VAL H H 1 7.884 . . . . . . . A 7 VAL H . 25994 1 42 . 1 . 1 7 7 VAL HA H 1 4.098 . . . . . . . A 7 VAL HA . 25994 1 43 . 1 . 1 7 7 VAL HB H 1 2.015 . . . . . . . A 7 VAL HB . 25994 1 44 . 1 . 1 7 7 VAL CA C 13 62.128 . . . . . . . A 7 VAL CA . 25994 1 45 . 1 . 1 7 7 VAL CB C 13 32.844 . . . . . . . A 7 VAL CB . 25994 1 46 . 1 . 1 7 7 VAL N N 15 119.811 . . . . . . . A 7 VAL N . 25994 1 47 . 1 . 1 8 8 LYS H H 1 8.457 . . . . . . . A 8 LYS H . 25994 1 48 . 1 . 1 8 8 LYS HA H 1 4.585 . . . . . . . A 8 LYS HA . 25994 1 49 . 1 . 1 8 8 LYS HB2 H 1 1.713 . . . . . . . A 8 LYS HB2 . 25994 1 50 . 1 . 1 8 8 LYS HB3 H 1 1.713 . . . . . . . A 8 LYS HB3 . 25994 1 51 . 1 . 1 8 8 LYS HG2 H 1 1.443 . . . . . . . A 8 LYS HG2 . 25994 1 52 . 1 . 1 8 8 LYS HG3 H 1 1.443 . . . . . . . A 8 LYS HG3 . 25994 1 53 . 1 . 1 8 8 LYS CA C 13 54.121 . . . . . . . A 8 LYS CA . 25994 1 54 . 1 . 1 8 8 LYS CB C 13 32.339 . . . . . . . A 8 LYS CB . 25994 1 55 . 1 . 1 8 8 LYS N N 15 126.656 . . . . . . . A 8 LYS N . 25994 1 56 . 1 . 1 9 9 PRO HA H 1 4.457 . . . . . . . A 9 PRO HA . 25994 1 57 . 1 . 1 9 9 PRO HB3 H 1 2.308 . . . . . . . A 9 PRO HB3 . 25994 1 58 . 1 . 1 9 9 PRO HG2 H 1 2.030 . . . . . . . A 9 PRO HG2 . 25994 1 59 . 1 . 1 9 9 PRO HG3 H 1 2.030 . . . . . . . A 9 PRO HG3 . 25994 1 60 . 1 . 1 9 9 PRO HD2 H 1 3.920 . . . . . . . A 9 PRO HD2 . 25994 1 61 . 1 . 1 9 9 PRO CA C 13 63.151 . . . . . . . A 9 PRO CA . 25994 1 62 . 1 . 1 9 9 PRO CB C 13 32.548 . . . . . . . A 9 PRO CB . 25994 1 63 . 1 . 1 9 9 PRO CG C 13 27.593 . . . . . . . A 9 PRO CG . 25994 1 64 . 1 . 1 9 9 PRO CD C 13 50.835 . . . . . . . A 9 PRO CD . 25994 1 65 . 1 . 1 10 10 SER H H 1 8.091 . . . . . . . A 10 SER H . 25994 1 66 . 1 . 1 10 10 SER HA H 1 4.790 . . . . . . . A 10 SER HA . 25994 1 67 . 1 . 1 10 10 SER HB2 H 1 3.688 . . . . . . . A 10 SER HB2 . 25994 1 68 . 1 . 1 10 10 SER HB3 H 1 3.688 . . . . . . . A 10 SER HB3 . 25994 1 69 . 1 . 1 10 10 SER CA C 13 56.193 . . . . . . . A 10 SER CA . 25994 1 70 . 1 . 1 10 10 SER CB C 13 64.807 . . . . . . . A 10 SER CB . 25994 1 71 . 1 . 1 10 10 SER N N 15 114.879 . . . . . . . A 10 SER N . 25994 1 72 . 1 . 1 11 11 PRO HA H 1 4.718 . . . . . . . A 11 PRO HA . 25994 1 73 . 1 . 1 11 11 PRO HB2 H 1 1.754 . . . . . . . A 11 PRO HB2 . 25994 1 74 . 1 . 1 11 11 PRO HB3 H 1 1.754 . . . . . . . A 11 PRO HB3 . 25994 1 75 . 1 . 1 11 11 PRO CA C 13 61.857 . . . . . . . A 11 PRO CA . 25994 1 76 . 1 . 1 11 11 PRO CB C 13 34.551 . . . . . . . A 11 PRO CB . 25994 1 77 . 1 . 1 11 11 PRO CG C 13 25.611 . . . . . . . A 11 PRO CG . 25994 1 78 . 1 . 1 12 12 HIS H H 1 8.728 . . . . . . . A 12 HIS H . 25994 1 79 . 1 . 1 12 12 HIS HA H 1 4.846 . . . . . . . A 12 HIS HA . 25994 1 80 . 1 . 1 12 12 HIS HB2 H 1 3.102 . . . . . . . A 12 HIS HB2 . 25994 1 81 . 1 . 1 12 12 HIS HB3 H 1 3.102 . . . . . . . A 12 HIS HB3 . 25994 1 82 . 1 . 1 12 12 HIS CA C 13 55.018 . . . . . . . A 12 HIS CA . 25994 1 83 . 1 . 1 12 12 HIS CB C 13 32.013 . . . . . . . A 12 HIS CB . 25994 1 84 . 1 . 1 12 12 HIS N N 15 122.847 . . . . . . . A 12 HIS N . 25994 1 85 . 1 . 1 13 13 VAL H H 1 8.601 . . . . . . . A 13 VAL H . 25994 1 86 . 1 . 1 13 13 VAL HA H 1 4.117 . . . . . . . A 13 VAL HA . 25994 1 87 . 1 . 1 13 13 VAL HB H 1 1.905 . . . . . . . A 13 VAL HB . 25994 1 88 . 1 . 1 13 13 VAL CA C 13 63.767 . . . . . . . A 13 VAL CA . 25994 1 89 . 1 . 1 13 13 VAL CB C 13 31.742 . . . . . . . A 13 VAL CB . 25994 1 90 . 1 . 1 13 13 VAL N N 15 129.151 . . . . . . . A 13 VAL N . 25994 1 91 . 1 . 1 14 14 ILE H H 1 8.262 . . . . . . . A 14 ILE H . 25994 1 92 . 1 . 1 14 14 ILE HA H 1 4.280 . . . . . . . A 14 ILE HA . 25994 1 93 . 1 . 1 14 14 ILE HB H 1 1.965 . . . . . . . A 14 ILE HB . 25994 1 94 . 1 . 1 14 14 ILE HG12 H 1 1.562 . . . . . . . A 14 ILE HG12 . 25994 1 95 . 1 . 1 14 14 ILE HG13 H 1 1.562 . . . . . . . A 14 ILE HG13 . 25994 1 96 . 1 . 1 14 14 ILE CA C 13 57.820 . . . . . . . A 14 ILE CA . 25994 1 97 . 1 . 1 14 14 ILE CB C 13 32.874 . . . . . . . A 14 ILE CB . 25994 1 98 . 1 . 1 14 14 ILE CD1 C 13 9.721 . . . . . . . A 14 ILE CD1 . 25994 1 99 . 1 . 1 14 14 ILE N N 15 128.359 . . . . . . . A 14 ILE N . 25994 1 100 . 1 . 1 15 15 LYS H H 1 9.207 . . . . . . . A 15 LYS H . 25994 1 101 . 1 . 1 15 15 LYS HA H 1 4.599 . . . . . . . A 15 LYS HA . 25994 1 102 . 1 . 1 15 15 LYS HB2 H 1 1.951 . . . . . . . A 15 LYS HB2 . 25994 1 103 . 1 . 1 15 15 LYS HB3 H 1 1.951 . . . . . . . A 15 LYS HB3 . 25994 1 104 . 1 . 1 15 15 LYS HG2 H 1 1.475 . . . . . . . A 15 LYS HG2 . 25994 1 105 . 1 . 1 15 15 LYS HG3 H 1 1.475 . . . . . . . A 15 LYS HG3 . 25994 1 106 . 1 . 1 15 15 LYS HD2 H 1 1.710 . . . . . . . A 15 LYS HD2 . 25994 1 107 . 1 . 1 15 15 LYS HD3 H 1 1.710 . . . . . . . A 15 LYS HD3 . 25994 1 108 . 1 . 1 15 15 LYS HE2 H 1 2.985 . . . . . . . A 15 LYS HE2 . 25994 1 109 . 1 . 1 15 15 LYS HE3 H 1 2.985 . . . . . . . A 15 LYS HE3 . 25994 1 110 . 1 . 1 15 15 LYS CA C 13 56.378 . . . . . . . A 15 LYS CA . 25994 1 111 . 1 . 1 15 15 LYS CB C 13 33.586 . . . . . . . A 15 LYS CB . 25994 1 112 . 1 . 1 15 15 LYS CG C 13 24.749 . . . . . . . A 15 LYS CG . 25994 1 113 . 1 . 1 15 15 LYS CD C 13 28.793 . . . . . . . A 15 LYS CD . 25994 1 114 . 1 . 1 15 15 LYS CE C 13 41.533 . . . . . . . A 15 LYS CE . 25994 1 115 . 1 . 1 15 15 LYS N N 15 124.184 . . . . . . . A 15 LYS N . 25994 1 116 . 1 . 1 16 16 SER H H 1 7.455 . . . . . . . A 16 SER H . 25994 1 117 . 1 . 1 16 16 SER HA H 1 4.810 . . . . . . . A 16 SER HA . 25994 1 118 . 1 . 1 16 16 SER HB2 H 1 4.239 . . . . . . . A 16 SER HB2 . 25994 1 119 . 1 . 1 16 16 SER CA C 13 57.145 . . . . . . . A 16 SER CA . 25994 1 120 . 1 . 1 16 16 SER CB C 13 66.340 . . . . . . . A 16 SER CB . 25994 1 121 . 1 . 1 16 16 SER N N 15 112.029 . . . . . . . A 16 SER N . 25994 1 122 . 1 . 1 17 17 LEU H H 1 9.079 . . . . . . . A 17 LEU H . 25994 1 123 . 1 . 1 17 17 LEU HA H 1 3.874 . . . . . . . A 17 LEU HA . 25994 1 124 . 1 . 1 17 17 LEU HB2 H 1 1.679 . . . . . . . A 17 LEU HB2 . 25994 1 125 . 1 . 1 17 17 LEU HG H 1 1.227 . . . . . . . A 17 LEU HG . 25994 1 126 . 1 . 1 17 17 LEU CA C 13 57.446 . . . . . . . A 17 LEU CA . 25994 1 127 . 1 . 1 17 17 LEU CB C 13 41.242 . . . . . . . A 17 LEU CB . 25994 1 128 . 1 . 1 17 17 LEU CG C 13 25.329 . . . . . . . A 17 LEU CG . 25994 1 129 . 1 . 1 17 17 LEU N N 15 123.717 . . . . . . . A 17 LEU N . 25994 1 130 . 1 . 1 18 18 GLU H H 1 8.725 . . . . . . . A 18 GLU H . 25994 1 131 . 1 . 1 18 18 GLU HA H 1 3.779 . . . . . . . A 18 GLU HA . 25994 1 132 . 1 . 1 18 18 GLU HB2 H 1 1.970 . . . . . . . A 18 GLU HB2 . 25994 1 133 . 1 . 1 18 18 GLU HG2 H 1 1.955 . . . . . . . A 18 GLU HG2 . 25994 1 134 . 1 . 1 18 18 GLU HG3 H 1 1.955 . . . . . . . A 18 GLU HG3 . 25994 1 135 . 1 . 1 18 18 GLU CA C 13 60.369 . . . . . . . A 18 GLU CA . 25994 1 136 . 1 . 1 18 18 GLU CB C 13 28.684 . . . . . . . A 18 GLU CB . 25994 1 137 . 1 . 1 18 18 GLU CG C 13 36.378 . . . . . . . A 18 GLU CG . 25994 1 138 . 1 . 1 18 18 GLU N N 15 119.255 . . . . . . . A 18 GLU N . 25994 1 139 . 1 . 1 19 19 GLU H H 1 7.791 . . . . . . . A 19 GLU H . 25994 1 140 . 1 . 1 19 19 GLU HA H 1 3.956 . . . . . . . A 19 GLU HA . 25994 1 141 . 1 . 1 19 19 GLU HB2 H 1 2.133 . . . . . . . A 19 GLU HB2 . 25994 1 142 . 1 . 1 19 19 GLU HB3 H 1 2.133 . . . . . . . A 19 GLU HB3 . 25994 1 143 . 1 . 1 19 19 GLU HG2 H 1 2.357 . . . . . . . A 19 GLU HG2 . 25994 1 144 . 1 . 1 19 19 GLU HG3 H 1 2.357 . . . . . . . A 19 GLU HG3 . 25994 1 145 . 1 . 1 19 19 GLU CA C 13 58.988 . . . . . . . A 19 GLU CA . 25994 1 146 . 1 . 1 19 19 GLU CB C 13 30.097 . . . . . . . A 19 GLU CB . 25994 1 147 . 1 . 1 19 19 GLU CG C 13 36.180 . . . . . . . A 19 GLU CG . 25994 1 148 . 1 . 1 19 19 GLU N N 15 119.787 . . . . . . . A 19 GLU N . 25994 1 149 . 1 . 1 20 20 LEU H H 1 7.584 . . . . . . . A 20 LEU H . 25994 1 150 . 1 . 1 20 20 LEU HA H 1 3.732 . . . . . . . A 20 LEU HA . 25994 1 151 . 1 . 1 20 20 LEU HB2 H 1 2.095 . . . . . . . A 20 LEU HB2 . 25994 1 152 . 1 . 1 20 20 LEU HG H 1 1.535 . . . . . . . A 20 LEU HG . 25994 1 153 . 1 . 1 20 20 LEU HD11 H 1 0.790 . . . . . . . A 20 LEU HD11 . 25994 1 154 . 1 . 1 20 20 LEU HD12 H 1 0.790 . . . . . . . A 20 LEU HD12 . 25994 1 155 . 1 . 1 20 20 LEU HD13 H 1 0.790 . . . . . . . A 20 LEU HD13 . 25994 1 156 . 1 . 1 20 20 LEU HD21 H 1 0.383 . . . . . . . A 20 LEU HD21 . 25994 1 157 . 1 . 1 20 20 LEU HD22 H 1 0.383 . . . . . . . A 20 LEU HD22 . 25994 1 158 . 1 . 1 20 20 LEU HD23 H 1 0.383 . . . . . . . A 20 LEU HD23 . 25994 1 159 . 1 . 1 20 20 LEU CA C 13 57.940 . . . . . . . A 20 LEU CA . 25994 1 160 . 1 . 1 20 20 LEU CB C 13 41.732 . . . . . . . A 20 LEU CB . 25994 1 161 . 1 . 1 20 20 LEU CG C 13 26.585 . . . . . . . A 20 LEU CG . 25994 1 162 . 1 . 1 20 20 LEU N N 15 121.139 . . . . . . . A 20 LEU N . 25994 1 163 . 1 . 1 21 21 ARG H H 1 8.406 . . . . . . . A 21 ARG H . 25994 1 164 . 1 . 1 21 21 ARG HA H 1 3.806 . . . . . . . A 21 ARG HA . 25994 1 165 . 1 . 1 21 21 ARG HB2 H 1 1.696 . . . . . . . A 21 ARG HB2 . 25994 1 166 . 1 . 1 21 21 ARG HB3 H 1 1.696 . . . . . . . A 21 ARG HB3 . 25994 1 167 . 1 . 1 21 21 ARG HG2 H 1 1.445 . . . . . . . A 21 ARG HG2 . 25994 1 168 . 1 . 1 21 21 ARG HG3 H 1 1.445 . . . . . . . A 21 ARG HG3 . 25994 1 169 . 1 . 1 21 21 ARG HD2 H 1 2.586 . . . . . . . A 21 ARG HD2 . 25994 1 170 . 1 . 1 21 21 ARG HD3 H 1 2.586 . . . . . . . A 21 ARG HD3 . 25994 1 171 . 1 . 1 21 21 ARG CA C 13 58.557 . . . . . . . A 21 ARG CA . 25994 1 172 . 1 . 1 21 21 ARG CB C 13 29.185 . . . . . . . A 21 ARG CB . 25994 1 173 . 1 . 1 21 21 ARG CG C 13 26.604 . . . . . . . A 21 ARG CG . 25994 1 174 . 1 . 1 21 21 ARG CD C 13 42.245 . . . . . . . A 21 ARG CD . 25994 1 175 . 1 . 1 21 21 ARG N N 15 117.786 . . . . . . . A 21 ARG N . 25994 1 176 . 1 . 1 22 22 GLU H H 1 7.627 . . . . . . . A 22 GLU H . 25994 1 177 . 1 . 1 22 22 GLU HA H 1 3.974 . . . . . . . A 22 GLU HA . 25994 1 178 . 1 . 1 22 22 GLU HB2 H 1 1.991 . . . . . . . A 22 GLU HB2 . 25994 1 179 . 1 . 1 22 22 GLU HB3 H 1 1.991 . . . . . . . A 22 GLU HB3 . 25994 1 180 . 1 . 1 22 22 GLU HG2 H 1 2.184 . . . . . . . A 22 GLU HG2 . 25994 1 181 . 1 . 1 22 22 GLU HG3 H 1 2.184 . . . . . . . A 22 GLU HG3 . 25994 1 182 . 1 . 1 22 22 GLU CA C 13 58.878 . . . . . . . A 22 GLU CA . 25994 1 183 . 1 . 1 22 22 GLU CB C 13 29.498 . . . . . . . A 22 GLU CB . 25994 1 184 . 1 . 1 22 22 GLU CG C 13 35.988 . . . . . . . A 22 GLU CG . 25994 1 185 . 1 . 1 22 22 GLU N N 15 118.353 . . . . . . . A 22 GLU N . 25994 1 186 . 1 . 1 23 23 ALA H H 1 7.847 . . . . . . . A 23 ALA H . 25994 1 187 . 1 . 1 23 23 ALA HA H 1 4.064 . . . . . . . A 23 ALA HA . 25994 1 188 . 1 . 1 23 23 ALA HB1 H 1 1.223 . . . . . . . A 23 ALA HB1 . 25994 1 189 . 1 . 1 23 23 ALA HB2 H 1 1.223 . . . . . . . A 23 ALA HB2 . 25994 1 190 . 1 . 1 23 23 ALA HB3 H 1 1.223 . . . . . . . A 23 ALA HB3 . 25994 1 191 . 1 . 1 23 23 ALA CA C 13 55.002 . . . . . . . A 23 ALA CA . 25994 1 192 . 1 . 1 23 23 ALA CB C 13 17.881 . . . . . . . A 23 ALA CB . 25994 1 193 . 1 . 1 23 23 ALA N N 15 121.906 . . . . . . . A 23 ALA N . 25994 1 194 . 1 . 1 24 24 THR H H 1 7.896 . . . . . . . A 24 THR H . 25994 1 195 . 1 . 1 24 24 THR HA H 1 4.447 . . . . . . . A 24 THR HA . 25994 1 196 . 1 . 1 24 24 THR HB H 1 4.251 . . . . . . . A 24 THR HB . 25994 1 197 . 1 . 1 24 24 THR CA C 13 62.792 . . . . . . . A 24 THR CA . 25994 1 198 . 1 . 1 24 24 THR CB C 13 69.257 . . . . . . . A 24 THR CB . 25994 1 199 . 1 . 1 24 24 THR CG2 C 13 21.278 . . . . . . . A 24 THR CG2 . 25994 1 200 . 1 . 1 24 24 THR N N 15 104.652 . . . . . . . A 24 THR N . 25994 1 201 . 1 . 1 25 25 ALA H H 1 7.148 . . . . . . . A 25 ALA H . 25994 1 202 . 1 . 1 25 25 ALA HA H 1 4.261 . . . . . . . A 25 ALA HA . 25994 1 203 . 1 . 1 25 25 ALA HB1 H 1 1.436 . . . . . . . A 25 ALA HB1 . 25994 1 204 . 1 . 1 25 25 ALA HB2 H 1 1.436 . . . . . . . A 25 ALA HB2 . 25994 1 205 . 1 . 1 25 25 ALA HB3 H 1 1.436 . . . . . . . A 25 ALA HB3 . 25994 1 206 . 1 . 1 25 25 ALA CA C 13 52.998 . . . . . . . A 25 ALA CA . 25994 1 207 . 1 . 1 25 25 ALA CB C 13 17.985 . . . . . . . A 25 ALA CB . 25994 1 208 . 1 . 1 25 25 ALA N N 15 125.073 . . . . . . . A 25 ALA N . 25994 1 209 . 1 . 1 26 26 SER H H 1 7.640 . . . . . . . A 26 SER H . 25994 1 210 . 1 . 1 26 26 SER HA H 1 4.376 . . . . . . . A 26 SER HA . 25994 1 211 . 1 . 1 26 26 SER HB2 H 1 4.036 . . . . . . . A 26 SER HB2 . 25994 1 212 . 1 . 1 26 26 SER HB3 H 1 4.036 . . . . . . . A 26 SER HB3 . 25994 1 213 . 1 . 1 26 26 SER CA C 13 58.494 . . . . . . . A 26 SER CA . 25994 1 214 . 1 . 1 26 26 SER CB C 13 64.476 . . . . . . . A 26 SER CB . 25994 1 215 . 1 . 1 26 26 SER N N 15 113.958 . . . . . . . A 26 SER N . 25994 1 216 . 1 . 1 27 27 ASN H H 1 8.330 . . . . . . . A 27 ASN H . 25994 1 217 . 1 . 1 27 27 ASN HA H 1 4.639 . . . . . . . A 27 ASN HA . 25994 1 218 . 1 . 1 27 27 ASN HB2 H 1 2.959 . . . . . . . A 27 ASN HB2 . 25994 1 219 . 1 . 1 27 27 ASN CA C 13 53.746 . . . . . . . A 27 ASN CA . 25994 1 220 . 1 . 1 27 27 ASN CB C 13 38.006 . . . . . . . A 27 ASN CB . 25994 1 221 . 1 . 1 27 27 ASN N N 15 117.224 . . . . . . . A 27 ASN N . 25994 1 222 . 1 . 1 28 28 ARG H H 1 8.008 . . . . . . . A 28 ARG H . 25994 1 223 . 1 . 1 28 28 ARG HA H 1 4.437 . . . . . . . A 28 ARG HA . 25994 1 224 . 1 . 1 28 28 ARG HB2 H 1 2.070 . . . . . . . A 28 ARG HB2 . 25994 1 225 . 1 . 1 28 28 ARG HB3 H 1 2.070 . . . . . . . A 28 ARG HB3 . 25994 1 226 . 1 . 1 28 28 ARG HG2 H 1 1.526 . . . . . . . A 28 ARG HG2 . 25994 1 227 . 1 . 1 28 28 ARG HG3 H 1 1.526 . . . . . . . A 28 ARG HG3 . 25994 1 228 . 1 . 1 28 28 ARG HD2 H 1 2.991 . . . . . . . A 28 ARG HD2 . 25994 1 229 . 1 . 1 28 28 ARG HD3 H 1 2.991 . . . . . . . A 28 ARG HD3 . 25994 1 230 . 1 . 1 28 28 ARG CA C 13 55.576 . . . . . . . A 28 ARG CA . 25994 1 231 . 1 . 1 28 28 ARG CB C 13 32.294 . . . . . . . A 28 ARG CB . 25994 1 232 . 1 . 1 28 28 ARG N N 15 119.498 . . . . . . . A 28 ARG N . 25994 1 233 . 1 . 1 29 29 ILE H H 1 8.877 . . . . . . . A 29 ILE H . 25994 1 234 . 1 . 1 29 29 ILE HA H 1 4.068 . . . . . . . A 29 ILE HA . 25994 1 235 . 1 . 1 29 29 ILE HB H 1 1.740 . . . . . . . A 29 ILE HB . 25994 1 236 . 1 . 1 29 29 ILE CA C 13 63.244 . . . . . . . A 29 ILE CA . 25994 1 237 . 1 . 1 29 29 ILE CB C 13 37.428 . . . . . . . A 29 ILE CB . 25994 1 238 . 1 . 1 29 29 ILE CG1 C 13 29.052 . . . . . . . A 29 ILE CG1 . 25994 1 239 . 1 . 1 29 29 ILE CG2 C 13 17.747 . . . . . . . A 29 ILE CG2 . 25994 1 240 . 1 . 1 29 29 ILE N N 15 123.190 . . . . . . . A 29 ILE N . 25994 1 241 . 1 . 1 30 30 SER H H 1 9.265 . . . . . . . A 30 SER H . 25994 1 242 . 1 . 1 30 30 SER HA H 1 4.807 . . . . . . . A 30 SER HA . 25994 1 243 . 1 . 1 30 30 SER HB2 H 1 3.787 . . . . . . . A 30 SER HB2 . 25994 1 244 . 1 . 1 30 30 SER HB3 H 1 3.787 . . . . . . . A 30 SER HB3 . 25994 1 245 . 1 . 1 30 30 SER HG H 1 5.544 . . . . . . . A 30 SER HG . 25994 1 246 . 1 . 1 30 30 SER CA C 13 57.409 . . . . . . . A 30 SER CA . 25994 1 247 . 1 . 1 30 30 SER CB C 13 65.686 . . . . . . . A 30 SER CB . 25994 1 248 . 1 . 1 30 30 SER N N 15 122.462 . . . . . . . A 30 SER N . 25994 1 249 . 1 . 1 31 31 VAL H H 1 9.358 . . . . . . . A 31 VAL H . 25994 1 250 . 1 . 1 31 31 VAL HA H 1 4.718 . . . . . . . A 31 VAL HA . 25994 1 251 . 1 . 1 31 31 VAL HB H 1 1.950 . . . . . . . A 31 VAL HB . 25994 1 252 . 1 . 1 31 31 VAL CA C 13 60.741 . . . . . . . A 31 VAL CA . 25994 1 253 . 1 . 1 31 31 VAL CB C 13 33.283 . . . . . . . A 31 VAL CB . 25994 1 254 . 1 . 1 31 31 VAL N N 15 124.147 . . . . . . . A 31 VAL N . 25994 1 255 . 1 . 1 32 32 ILE H H 1 9.961 . . . . . . . A 32 ILE H . 25994 1 256 . 1 . 1 32 32 ILE HA H 1 4.321 . . . . . . . A 32 ILE HA . 25994 1 257 . 1 . 1 32 32 ILE HB H 1 1.630 . . . . . . . A 32 ILE HB . 25994 1 258 . 1 . 1 32 32 ILE HG12 H 1 1.099 . . . . . . . A 32 ILE HG12 . 25994 1 259 . 1 . 1 32 32 ILE HD11 H 1 0.056 . . . . . . . A 32 ILE HD11 . 25994 1 260 . 1 . 1 32 32 ILE HD12 H 1 0.056 . . . . . . . A 32 ILE HD12 . 25994 1 261 . 1 . 1 32 32 ILE HD13 H 1 0.056 . . . . . . . A 32 ILE HD13 . 25994 1 262 . 1 . 1 32 32 ILE CA C 13 61.073 . . . . . . . A 32 ILE CA . 25994 1 263 . 1 . 1 32 32 ILE CB C 13 38.561 . . . . . . . A 32 ILE CB . 25994 1 264 . 1 . 1 32 32 ILE CG1 C 13 27.367 . . . . . . . A 32 ILE CG1 . 25994 1 265 . 1 . 1 32 32 ILE CG2 C 13 14.715 . . . . . . . A 32 ILE CG2 . 25994 1 266 . 1 . 1 32 32 ILE N N 15 129.180 . . . . . . . A 32 ILE N . 25994 1 267 . 1 . 1 33 33 VAL H H 1 9.120 . . . . . . . A 33 VAL H . 25994 1 268 . 1 . 1 33 33 VAL HA H 1 4.305 . . . . . . . A 33 VAL HA . 25994 1 269 . 1 . 1 33 33 VAL HB H 1 2.169 . . . . . . . A 33 VAL HB . 25994 1 270 . 1 . 1 33 33 VAL HG11 H 1 0.838 . . . . . . . A 33 VAL HG11 . 25994 1 271 . 1 . 1 33 33 VAL HG12 H 1 0.838 . . . . . . . A 33 VAL HG12 . 25994 1 272 . 1 . 1 33 33 VAL HG13 H 1 0.838 . . . . . . . A 33 VAL HG13 . 25994 1 273 . 1 . 1 33 33 VAL HG21 H 1 0.507 . . . . . . . A 33 VAL HG21 . 25994 1 274 . 1 . 1 33 33 VAL HG22 H 1 0.507 . . . . . . . A 33 VAL HG22 . 25994 1 275 . 1 . 1 33 33 VAL HG23 H 1 0.507 . . . . . . . A 33 VAL HG23 . 25994 1 276 . 1 . 1 33 33 VAL CA C 13 61.494 . . . . . . . A 33 VAL CA . 25994 1 277 . 1 . 1 33 33 VAL CB C 13 32.178 . . . . . . . A 33 VAL CB . 25994 1 278 . 1 . 1 33 33 VAL N N 15 127.499 . . . . . . . A 33 VAL N . 25994 1 279 . 1 . 1 34 34 PHE H H 1 8.823 . . . . . . . A 34 PHE H . 25994 1 280 . 1 . 1 34 34 PHE HA H 1 5.165 . . . . . . . A 34 PHE HA . 25994 1 281 . 1 . 1 34 34 PHE HB2 H 1 2.907 . . . . . . . A 34 PHE HB2 . 25994 1 282 . 1 . 1 34 34 PHE CA C 13 57.126 . . . . . . . A 34 PHE CA . 25994 1 283 . 1 . 1 34 34 PHE CB C 13 40.134 . . . . . . . A 34 PHE CB . 25994 1 284 . 1 . 1 34 34 PHE N N 15 126.306 . . . . . . . A 34 PHE N . 25994 1 285 . 1 . 1 35 35 THR H H 1 8.549 . . . . . . . A 35 THR H . 25994 1 286 . 1 . 1 35 35 THR HA H 1 4.684 . . . . . . . A 35 THR HA . 25994 1 287 . 1 . 1 35 35 THR HB H 1 4.078 . . . . . . . A 35 THR HB . 25994 1 288 . 1 . 1 35 35 THR CA C 13 59.862 . . . . . . . A 35 THR CA . 25994 1 289 . 1 . 1 35 35 THR CB C 13 71.498 . . . . . . . A 35 THR CB . 25994 1 290 . 1 . 1 35 35 THR CG2 C 13 20.713 . . . . . . . A 35 THR CG2 . 25994 1 291 . 1 . 1 35 35 THR N N 15 112.608 . . . . . . . A 35 THR N . 25994 1 292 . 1 . 1 36 36 HIS H H 1 7.995 . . . . . . . A 36 HIS H . 25994 1 293 . 1 . 1 36 36 HIS HB2 H 1 3.013 . . . . . . . A 36 HIS HB2 . 25994 1 294 . 1 . 1 36 36 HIS HB3 H 1 3.013 . . . . . . . A 36 HIS HB3 . 25994 1 295 . 1 . 1 36 36 HIS CB C 13 34.790 . . . . . . . A 36 HIS CB . 25994 1 296 . 1 . 1 36 36 HIS N N 15 121.480 . . . . . . . A 36 HIS N . 25994 1 297 . 1 . 1 37 37 PRO HA H 1 4.350 . . . . . . . A 37 PRO HA . 25994 1 298 . 1 . 1 37 37 PRO HB3 H 1 2.240 . . . . . . . A 37 PRO HB3 . 25994 1 299 . 1 . 1 37 37 PRO HG2 H 1 1.760 . . . . . . . A 37 PRO HG2 . 25994 1 300 . 1 . 1 37 37 PRO HG3 H 1 1.760 . . . . . . . A 37 PRO HG3 . 25994 1 301 . 1 . 1 37 37 PRO HD2 H 1 4.009 . . . . . . . A 37 PRO HD2 . 25994 1 302 . 1 . 1 37 37 PRO HD3 H 1 4.009 . . . . . . . A 37 PRO HD3 . 25994 1 303 . 1 . 1 37 37 PRO CA C 13 64.813 . . . . . . . A 37 PRO CA . 25994 1 304 . 1 . 1 37 37 PRO CB C 13 32.177 . . . . . . . A 37 PRO CB . 25994 1 305 . 1 . 1 37 37 PRO CG C 13 27.436 . . . . . . . A 37 PRO CG . 25994 1 306 . 1 . 1 38 38 ASP H H 1 10.427 . . . . . . . A 38 ASP H . 25994 1 307 . 1 . 1 38 38 ASP HA H 1 4.771 . . . . . . . A 38 ASP HA . 25994 1 308 . 1 . 1 38 38 ASP HB2 H 1 2.861 . . . . . . . A 38 ASP HB2 . 25994 1 309 . 1 . 1 38 38 ASP CA C 13 54.723 . . . . . . . A 38 ASP CA . 25994 1 310 . 1 . 1 38 38 ASP CB C 13 40.782 . . . . . . . A 38 ASP CB . 25994 1 311 . 1 . 1 38 38 ASP N N 15 120.608 . . . . . . . A 38 ASP N . 25994 1 312 . 1 . 1 39 39 SER H H 1 7.865 . . . . . . . A 39 SER H . 25994 1 313 . 1 . 1 39 39 SER HA H 1 4.088 . . . . . . . A 39 SER HA . 25994 1 314 . 1 . 1 39 39 SER HB2 H 1 3.883 . . . . . . . A 39 SER HB2 . 25994 1 315 . 1 . 1 39 39 SER HB3 H 1 3.883 . . . . . . . A 39 SER HB3 . 25994 1 316 . 1 . 1 39 39 SER CA C 13 57.959 . . . . . . . A 39 SER CA . 25994 1 317 . 1 . 1 39 39 SER CB C 13 63.475 . . . . . . . A 39 SER CB . 25994 1 318 . 1 . 1 39 39 SER N N 15 115.857 . . . . . . . A 39 SER N . 25994 1 319 . 1 . 1 40 40 LYS H H 1 8.129 . . . . . . . A 40 LYS H . 25994 1 320 . 1 . 1 40 40 LYS HA H 1 3.888 . . . . . . . A 40 LYS HA . 25994 1 321 . 1 . 1 40 40 LYS HB2 H 1 1.936 . . . . . . . A 40 LYS HB2 . 25994 1 322 . 1 . 1 40 40 LYS HB3 H 1 1.936 . . . . . . . A 40 LYS HB3 . 25994 1 323 . 1 . 1 40 40 LYS HG2 H 1 1.385 . . . . . . . A 40 LYS HG2 . 25994 1 324 . 1 . 1 40 40 LYS HG3 H 1 1.385 . . . . . . . A 40 LYS HG3 . 25994 1 325 . 1 . 1 40 40 LYS HD2 H 1 1.689 . . . . . . . A 40 LYS HD2 . 25994 1 326 . 1 . 1 40 40 LYS HD3 H 1 1.689 . . . . . . . A 40 LYS HD3 . 25994 1 327 . 1 . 1 40 40 LYS HE2 H 1 2.966 . . . . . . . A 40 LYS HE2 . 25994 1 328 . 1 . 1 40 40 LYS HE3 H 1 2.966 . . . . . . . A 40 LYS HE3 . 25994 1 329 . 1 . 1 40 40 LYS CA C 13 60.185 . . . . . . . A 40 LYS CA . 25994 1 330 . 1 . 1 40 40 LYS CB C 13 32.018 . . . . . . . A 40 LYS CB . 25994 1 331 . 1 . 1 40 40 LYS CG C 13 25.251 . . . . . . . A 40 LYS CG . 25994 1 332 . 1 . 1 40 40 LYS CD C 13 29.581 . . . . . . . A 40 LYS CD . 25994 1 333 . 1 . 1 40 40 LYS CE C 13 41.723 . . . . . . . A 40 LYS CE . 25994 1 334 . 1 . 1 40 40 LYS N N 15 122.470 . . . . . . . A 40 LYS N . 25994 1 335 . 1 . 1 41 41 ARG H H 1 7.311 . . . . . . . A 41 ARG H . 25994 1 336 . 1 . 1 41 41 ARG HA H 1 4.127 . . . . . . . A 41 ARG HA . 25994 1 337 . 1 . 1 41 41 ARG HB2 H 1 1.904 . . . . . . . A 41 ARG HB2 . 25994 1 338 . 1 . 1 41 41 ARG HB3 H 1 1.904 . . . . . . . A 41 ARG HB3 . 25994 1 339 . 1 . 1 41 41 ARG HG2 H 1 1.541 . . . . . . . A 41 ARG HG2 . 25994 1 340 . 1 . 1 41 41 ARG HG3 H 1 1.541 . . . . . . . A 41 ARG HG3 . 25994 1 341 . 1 . 1 41 41 ARG HE H 1 7.810 . . . . . . . A 41 ARG HE . 25994 1 342 . 1 . 1 41 41 ARG CA C 13 58.407 . . . . . . . A 41 ARG CA . 25994 1 343 . 1 . 1 41 41 ARG CB C 13 31.808 . . . . . . . A 41 ARG CB . 25994 1 344 . 1 . 1 41 41 ARG N N 15 118.107 . . . . . . . A 41 ARG N . 25994 1 345 . 1 . 1 42 42 SER HB2 H 1 3.993 . . . . . . . A 42 SER HB2 . 25994 1 346 . 1 . 1 42 42 SER HB3 H 1 3.993 . . . . . . . A 42 SER HB3 . 25994 1 347 . 1 . 1 43 43 LYS HB2 H 1 1.913 . . . . . . . A 43 LYS HB2 . 25994 1 348 . 1 . 1 43 43 LYS HB3 H 1 1.913 . . . . . . . A 43 LYS HB3 . 25994 1 349 . 1 . 1 43 43 LYS HG2 H 1 1.284 . . . . . . . A 43 LYS HG2 . 25994 1 350 . 1 . 1 43 43 LYS HG3 H 1 1.284 . . . . . . . A 43 LYS HG3 . 25994 1 351 . 1 . 1 43 43 LYS HD2 H 1 1.656 . . . . . . . A 43 LYS HD2 . 25994 1 352 . 1 . 1 43 43 LYS HD3 H 1 1.656 . . . . . . . A 43 LYS HD3 . 25994 1 353 . 1 . 1 43 43 LYS CA C 13 60.843 . . . . . . . A 43 LYS CA . 25994 1 354 . 1 . 1 43 43 LYS CB C 13 29.613 . . . . . . . A 43 LYS CB . 25994 1 355 . 1 . 1 44 44 GLU H H 1 7.944 . . . . . . . A 44 GLU H . 25994 1 356 . 1 . 1 44 44 GLU HA H 1 4.110 . . . . . . . A 44 GLU HA . 25994 1 357 . 1 . 1 44 44 GLU HB2 H 1 2.121 . . . . . . . A 44 GLU HB2 . 25994 1 358 . 1 . 1 44 44 GLU HB3 H 1 2.121 . . . . . . . A 44 GLU HB3 . 25994 1 359 . 1 . 1 44 44 GLU HG2 H 1 2.398 . . . . . . . A 44 GLU HG2 . 25994 1 360 . 1 . 1 44 44 GLU CA C 13 59.234 . . . . . . . A 44 GLU CA . 25994 1 361 . 1 . 1 44 44 GLU CB C 13 29.721 . . . . . . . A 44 GLU CB . 25994 1 362 . 1 . 1 44 44 GLU N N 15 117.557 . . . . . . . A 44 GLU N . 25994 1 363 . 1 . 1 45 45 ILE H H 1 8.001 . . . . . . . A 45 ILE H . 25994 1 364 . 1 . 1 45 45 ILE HA H 1 3.890 . . . . . . . A 45 ILE HA . 25994 1 365 . 1 . 1 45 45 ILE HB H 1 2.079 . . . . . . . A 45 ILE HB . 25994 1 366 . 1 . 1 45 45 ILE HG12 H 1 1.473 . . . . . . . A 45 ILE HG12 . 25994 1 367 . 1 . 1 45 45 ILE CA C 13 63.784 . . . . . . . A 45 ILE CA . 25994 1 368 . 1 . 1 45 45 ILE CB C 13 37.516 . . . . . . . A 45 ILE CB . 25994 1 369 . 1 . 1 45 45 ILE CG1 C 13 28.954 . . . . . . . A 45 ILE CG1 . 25994 1 370 . 1 . 1 45 45 ILE CG2 C 13 17.861 . . . . . . . A 45 ILE CG2 . 25994 1 371 . 1 . 1 45 45 ILE N N 15 117.036 . . . . . . . A 45 ILE N . 25994 1 372 . 1 . 1 46 46 LYS H H 1 8.024 . . . . . . . A 46 LYS H . 25994 1 373 . 1 . 1 46 46 LYS HA H 1 4.016 . . . . . . . A 46 LYS HA . 25994 1 374 . 1 . 1 46 46 LYS HB2 H 1 2.114 . . . . . . . A 46 LYS HB2 . 25994 1 375 . 1 . 1 46 46 LYS HG2 H 1 1.566 . . . . . . . A 46 LYS HG2 . 25994 1 376 . 1 . 1 46 46 LYS HD2 H 1 1.707 . . . . . . . A 46 LYS HD2 . 25994 1 377 . 1 . 1 46 46 LYS HD3 H 1 1.707 . . . . . . . A 46 LYS HD3 . 25994 1 378 . 1 . 1 46 46 LYS HE2 H 1 2.968 . . . . . . . A 46 LYS HE2 . 25994 1 379 . 1 . 1 46 46 LYS CA C 13 59.812 . . . . . . . A 46 LYS CA . 25994 1 380 . 1 . 1 46 46 LYS CB C 13 32.142 . . . . . . . A 46 LYS CB . 25994 1 381 . 1 . 1 46 46 LYS CG C 13 25.182 . . . . . . . A 46 LYS CG . 25994 1 382 . 1 . 1 46 46 LYS CD C 13 29.562 . . . . . . . A 46 LYS CD . 25994 1 383 . 1 . 1 46 46 LYS CE C 13 41.853 . . . . . . . A 46 LYS CE . 25994 1 384 . 1 . 1 46 46 LYS N N 15 120.531 . . . . . . . A 46 LYS N . 25994 1 385 . 1 . 1 47 47 GLU H H 1 8.008 . . . . . . . A 47 GLU H . 25994 1 386 . 1 . 1 47 47 GLU HA H 1 4.104 . . . . . . . A 47 GLU HA . 25994 1 387 . 1 . 1 47 47 GLU HB2 H 1 2.137 . . . . . . . A 47 GLU HB2 . 25994 1 388 . 1 . 1 47 47 GLU HB3 H 1 2.137 . . . . . . . A 47 GLU HB3 . 25994 1 389 . 1 . 1 47 47 GLU HG2 H 1 2.385 . . . . . . . A 47 GLU HG2 . 25994 1 390 . 1 . 1 47 47 GLU HG3 H 1 2.385 . . . . . . . A 47 GLU HG3 . 25994 1 391 . 1 . 1 47 47 GLU CA C 13 59.072 . . . . . . . A 47 GLU CA . 25994 1 392 . 1 . 1 47 47 GLU CB C 13 29.408 . . . . . . . A 47 GLU CB . 25994 1 393 . 1 . 1 47 47 GLU N N 15 119.182 . . . . . . . A 47 GLU N . 25994 1 394 . 1 . 1 48 48 LYS H H 1 8.045 . . . . . . . A 48 LYS H . 25994 1 395 . 1 . 1 48 48 LYS HA H 1 4.137 . . . . . . . A 48 LYS HA . 25994 1 396 . 1 . 1 48 48 LYS HB2 H 1 1.899 . . . . . . . A 48 LYS HB2 . 25994 1 397 . 1 . 1 48 48 LYS HB3 H 1 1.899 . . . . . . . A 48 LYS HB3 . 25994 1 398 . 1 . 1 48 48 LYS HG2 H 1 1.536 . . . . . . . A 48 LYS HG2 . 25994 1 399 . 1 . 1 48 48 LYS HG3 H 1 1.536 . . . . . . . A 48 LYS HG3 . 25994 1 400 . 1 . 1 48 48 LYS HD2 H 1 1.772 . . . . . . . A 48 LYS HD2 . 25994 1 401 . 1 . 1 48 48 LYS HD3 H 1 1.772 . . . . . . . A 48 LYS HD3 . 25994 1 402 . 1 . 1 48 48 LYS CA C 13 59.058 . . . . . . . A 48 LYS CA . 25994 1 403 . 1 . 1 48 48 LYS CB C 13 32.928 . . . . . . . A 48 LYS CB . 25994 1 404 . 1 . 1 48 48 LYS CG C 13 26.026 . . . . . . . A 48 LYS CG . 25994 1 405 . 1 . 1 48 48 LYS CE C 13 42.308 . . . . . . . A 48 LYS CE . 25994 1 406 . 1 . 1 48 48 LYS N N 15 119.302 . . . . . . . A 48 LYS N . 25994 1 407 . 1 . 1 49 49 LEU H H 1 8.340 . . . . . . . A 49 LEU H . 25994 1 408 . 1 . 1 49 49 LEU HA H 1 4.040 . . . . . . . A 49 LEU HA . 25994 1 409 . 1 . 1 49 49 LEU HB2 H 1 2.002 . . . . . . . A 49 LEU HB2 . 25994 1 410 . 1 . 1 49 49 LEU HG H 1 1.599 . . . . . . . A 49 LEU HG . 25994 1 411 . 1 . 1 49 49 LEU CA C 13 57.155 . . . . . . . A 49 LEU CA . 25994 1 412 . 1 . 1 49 49 LEU CB C 13 41.591 . . . . . . . A 49 LEU CB . 25994 1 413 . 1 . 1 49 49 LEU CG C 13 26.717 . . . . . . . A 49 LEU CG . 25994 1 414 . 1 . 1 49 49 LEU N N 15 119.636 . . . . . . . A 49 LEU N . 25994 1 415 . 1 . 1 50 50 LYS H H 1 7.697 . . . . . . . A 50 LYS H . 25994 1 416 . 1 . 1 50 50 LYS HA H 1 3.814 . . . . . . . A 50 LYS HA . 25994 1 417 . 1 . 1 50 50 LYS HB2 H 1 1.946 . . . . . . . A 50 LYS HB2 . 25994 1 418 . 1 . 1 50 50 LYS HB3 H 1 1.946 . . . . . . . A 50 LYS HB3 . 25994 1 419 . 1 . 1 50 50 LYS HG2 H 1 1.335 . . . . . . . A 50 LYS HG2 . 25994 1 420 . 1 . 1 50 50 LYS HG3 H 1 1.335 . . . . . . . A 50 LYS HG3 . 25994 1 421 . 1 . 1 50 50 LYS HD2 H 1 1.695 . . . . . . . A 50 LYS HD2 . 25994 1 422 . 1 . 1 50 50 LYS HD3 H 1 1.695 . . . . . . . A 50 LYS HD3 . 25994 1 423 . 1 . 1 50 50 LYS HE2 H 1 2.938 . . . . . . . A 50 LYS HE2 . 25994 1 424 . 1 . 1 50 50 LYS HE3 H 1 2.938 . . . . . . . A 50 LYS HE3 . 25994 1 425 . 1 . 1 50 50 LYS CA C 13 60.218 . . . . . . . A 50 LYS CA . 25994 1 426 . 1 . 1 50 50 LYS CB C 13 31.908 . . . . . . . A 50 LYS CB . 25994 1 427 . 1 . 1 50 50 LYS CG C 13 25.261 . . . . . . . A 50 LYS CG . 25994 1 428 . 1 . 1 50 50 LYS CD C 13 29.672 . . . . . . . A 50 LYS CD . 25994 1 429 . 1 . 1 50 50 LYS CE C 13 41.591 . . . . . . . A 50 LYS CE . 25994 1 430 . 1 . 1 50 50 LYS N N 15 120.074 . . . . . . . A 50 LYS N . 25994 1 431 . 1 . 1 51 51 LYS H H 1 7.231 . . . . . . . A 51 LYS H . 25994 1 432 . 1 . 1 51 51 LYS HA H 1 4.122 . . . . . . . A 51 LYS HA . 25994 1 433 . 1 . 1 51 51 LYS HB2 H 1 1.896 . . . . . . . A 51 LYS HB2 . 25994 1 434 . 1 . 1 51 51 LYS HB3 H 1 1.896 . . . . . . . A 51 LYS HB3 . 25994 1 435 . 1 . 1 51 51 LYS HG2 H 1 1.517 . . . . . . . A 51 LYS HG2 . 25994 1 436 . 1 . 1 51 51 LYS HG3 H 1 1.517 . . . . . . . A 51 LYS HG3 . 25994 1 437 . 1 . 1 51 51 LYS HD2 H 1 1.669 . . . . . . . A 51 LYS HD2 . 25994 1 438 . 1 . 1 51 51 LYS HD3 H 1 1.669 . . . . . . . A 51 LYS HD3 . 25994 1 439 . 1 . 1 51 51 LYS HE2 H 1 2.963 . . . . . . . A 51 LYS HE2 . 25994 1 440 . 1 . 1 51 51 LYS HE3 H 1 2.963 . . . . . . . A 51 LYS HE3 . 25994 1 441 . 1 . 1 51 51 LYS CA C 13 58.366 . . . . . . . A 51 LYS CA . 25994 1 442 . 1 . 1 51 51 LYS CB C 13 31.804 . . . . . . . A 51 LYS CB . 25994 1 443 . 1 . 1 51 51 LYS CG C 13 25.071 . . . . . . . A 51 LYS CG . 25994 1 444 . 1 . 1 51 51 LYS CD C 13 28.494 . . . . . . . A 51 LYS CD . 25994 1 445 . 1 . 1 51 51 LYS CE C 13 41.902 . . . . . . . A 51 LYS CE . 25994 1 446 . 1 . 1 51 51 LYS N N 15 117.950 . . . . . . . A 51 LYS N . 25994 1 447 . 1 . 1 52 52 LEU H H 1 7.801 . . . . . . . A 52 LEU H . 25994 1 448 . 1 . 1 52 52 LEU HA H 1 4.151 . . . . . . . A 52 LEU HA . 25994 1 449 . 1 . 1 52 52 LEU HB2 H 1 1.562 . . . . . . . A 52 LEU HB2 . 25994 1 450 . 1 . 1 52 52 LEU HG H 1 1.617 . . . . . . . A 52 LEU HG . 25994 1 451 . 1 . 1 52 52 LEU HD11 H 1 0.837 . . . . . . . A 52 LEU HD11 . 25994 1 452 . 1 . 1 52 52 LEU HD12 H 1 0.837 . . . . . . . A 52 LEU HD12 . 25994 1 453 . 1 . 1 52 52 LEU HD13 H 1 0.837 . . . . . . . A 52 LEU HD13 . 25994 1 454 . 1 . 1 52 52 LEU HD21 H 1 0.733 . . . . . . . A 52 LEU HD21 . 25994 1 455 . 1 . 1 52 52 LEU HD22 H 1 0.733 . . . . . . . A 52 LEU HD22 . 25994 1 456 . 1 . 1 52 52 LEU HD23 H 1 0.733 . . . . . . . A 52 LEU HD23 . 25994 1 457 . 1 . 1 52 52 LEU CA C 13 58.293 . . . . . . . A 52 LEU CA . 25994 1 458 . 1 . 1 52 52 LEU CB C 13 42.398 . . . . . . . A 52 LEU CB . 25994 1 459 . 1 . 1 52 52 LEU N N 15 120.899 . . . . . . . A 52 LEU N . 25994 1 460 . 1 . 1 53 53 ALA H H 1 8.045 . . . . . . . A 53 ALA H . 25994 1 461 . 1 . 1 53 53 ALA HA H 1 3.924 . . . . . . . A 53 ALA HA . 25994 1 462 . 1 . 1 53 53 ALA HB1 H 1 1.227 . . . . . . . A 53 ALA HB1 . 25994 1 463 . 1 . 1 53 53 ALA HB2 H 1 1.227 . . . . . . . A 53 ALA HB2 . 25994 1 464 . 1 . 1 53 53 ALA HB3 H 1 1.227 . . . . . . . A 53 ALA HB3 . 25994 1 465 . 1 . 1 53 53 ALA CA C 13 54.446 . . . . . . . A 53 ALA CA . 25994 1 466 . 1 . 1 53 53 ALA CB C 13 17.518 . . . . . . . A 53 ALA CB . 25994 1 467 . 1 . 1 53 53 ALA N N 15 118.500 . . . . . . . A 53 ALA N . 25994 1 468 . 1 . 1 54 54 GLU H H 1 7.130 . . . . . . . A 54 GLU H . 25994 1 469 . 1 . 1 54 54 GLU HA H 1 3.853 . . . . . . . A 54 GLU HA . 25994 1 470 . 1 . 1 54 54 GLU HB2 H 1 2.173 . . . . . . . A 54 GLU HB2 . 25994 1 471 . 1 . 1 54 54 GLU HG2 H 1 2.542 . . . . . . . A 54 GLU HG2 . 25994 1 472 . 1 . 1 54 54 GLU HG3 H 1 2.542 . . . . . . . A 54 GLU HG3 . 25994 1 473 . 1 . 1 54 54 GLU CA C 13 58.453 . . . . . . . A 54 GLU CA . 25994 1 474 . 1 . 1 54 54 GLU CB C 13 29.971 . . . . . . . A 54 GLU CB . 25994 1 475 . 1 . 1 54 54 GLU CG C 13 36.736 . . . . . . . A 54 GLU CG . 25994 1 476 . 1 . 1 54 54 GLU N N 15 113.233 . . . . . . . A 54 GLU N . 25994 1 477 . 1 . 1 55 55 GLU H H 1 7.766 . . . . . . . A 55 GLU H . 25994 1 478 . 1 . 1 55 55 GLU HA H 1 3.877 . . . . . . . A 55 GLU HA . 25994 1 479 . 1 . 1 55 55 GLU HB2 H 1 2.046 . . . . . . . A 55 GLU HB2 . 25994 1 480 . 1 . 1 55 55 GLU HG2 H 1 2.231 . . . . . . . A 55 GLU HG2 . 25994 1 481 . 1 . 1 55 55 GLU HG3 H 1 2.231 . . . . . . . A 55 GLU HG3 . 25994 1 482 . 1 . 1 55 55 GLU CA C 13 57.942 . . . . . . . A 55 GLU CA . 25994 1 483 . 1 . 1 55 55 GLU CB C 13 30.380 . . . . . . . A 55 GLU CB . 25994 1 484 . 1 . 1 55 55 GLU CG C 13 36.328 . . . . . . . A 55 GLU CG . 25994 1 485 . 1 . 1 55 55 GLU N N 15 118.854 . . . . . . . A 55 GLU N . 25994 1 486 . 1 . 1 56 56 PHE H H 1 7.523 . . . . . . . A 56 PHE H . 25994 1 487 . 1 . 1 56 56 PHE HA H 1 4.897 . . . . . . . A 56 PHE HA . 25994 1 488 . 1 . 1 56 56 PHE HB2 H 1 2.856 . . . . . . . A 56 PHE HB2 . 25994 1 489 . 1 . 1 56 56 PHE HD1 H 1 7.153 . . . . . . . A 56 PHE HD1 . 25994 1 490 . 1 . 1 56 56 PHE HD2 H 1 7.153 . . . . . . . A 56 PHE HD2 . 25994 1 491 . 1 . 1 56 56 PHE HE1 H 1 7.269 . . . . . . . A 56 PHE HE1 . 25994 1 492 . 1 . 1 56 56 PHE HE2 H 1 7.269 . . . . . . . A 56 PHE HE2 . 25994 1 493 . 1 . 1 56 56 PHE CA C 13 55.361 . . . . . . . A 56 PHE CA . 25994 1 494 . 1 . 1 56 56 PHE CB C 13 39.538 . . . . . . . A 56 PHE CB . 25994 1 495 . 1 . 1 56 56 PHE N N 15 116.255 . . . . . . . A 56 PHE N . 25994 1 496 . 1 . 1 57 57 PRO HA H 1 4.541 . . . . . . . A 57 PRO HA . 25994 1 497 . 1 . 1 57 57 PRO HB3 H 1 2.295 . . . . . . . A 57 PRO HB3 . 25994 1 498 . 1 . 1 57 57 PRO HG2 H 1 1.902 . . . . . . . A 57 PRO HG2 . 25994 1 499 . 1 . 1 57 57 PRO HG3 H 1 1.902 . . . . . . . A 57 PRO HG3 . 25994 1 500 . 1 . 1 57 57 PRO HD2 H 1 3.290 . . . . . . . A 57 PRO HD2 . 25994 1 501 . 1 . 1 57 57 PRO HD3 H 1 3.290 . . . . . . . A 57 PRO HD3 . 25994 1 502 . 1 . 1 57 57 PRO CA C 13 64.388 . . . . . . . A 57 PRO CA . 25994 1 503 . 1 . 1 57 57 PRO CB C 13 31.937 . . . . . . . A 57 PRO CB . 25994 1 504 . 1 . 1 58 58 ASP H H 1 8.333 . . . . . . . A 58 ASP H . 25994 1 505 . 1 . 1 58 58 ASP HA H 1 4.729 . . . . . . . A 58 ASP HA . 25994 1 506 . 1 . 1 58 58 ASP HB2 H 1 2.902 . . . . . . . A 58 ASP HB2 . 25994 1 507 . 1 . 1 58 58 ASP CA C 13 54.606 . . . . . . . A 58 ASP CA . 25994 1 508 . 1 . 1 58 58 ASP CB C 13 41.219 . . . . . . . A 58 ASP CB . 25994 1 509 . 1 . 1 58 58 ASP N N 15 116.029 . . . . . . . A 58 ASP N . 25994 1 510 . 1 . 1 59 59 VAL H H 1 7.606 . . . . . . . A 59 VAL H . 25994 1 511 . 1 . 1 59 59 VAL HA H 1 4.586 . . . . . . . A 59 VAL HA . 25994 1 512 . 1 . 1 59 59 VAL HB H 1 2.089 . . . . . . . A 59 VAL HB . 25994 1 513 . 1 . 1 59 59 VAL CA C 13 59.718 . . . . . . . A 59 VAL CA . 25994 1 514 . 1 . 1 59 59 VAL CB C 13 33.496 . . . . . . . A 59 VAL CB . 25994 1 515 . 1 . 1 59 59 VAL N N 15 116.728 . . . . . . . A 59 VAL N . 25994 1 516 . 1 . 1 60 60 ASP H H 1 8.450 . . . . . . . A 60 ASP H . 25994 1 517 . 1 . 1 60 60 ASP HA H 1 4.930 . . . . . . . A 60 ASP HA . 25994 1 518 . 1 . 1 60 60 ASP HB2 H 1 2.522 . . . . . . . A 60 ASP HB2 . 25994 1 519 . 1 . 1 60 60 ASP CA C 13 53.094 . . . . . . . A 60 ASP CA . 25994 1 520 . 1 . 1 60 60 ASP CB C 13 43.775 . . . . . . . A 60 ASP CB . 25994 1 521 . 1 . 1 60 60 ASP N N 15 122.705 . . . . . . . A 60 ASP N . 25994 1 522 . 1 . 1 61 61 ILE H H 1 8.723 . . . . . . . A 61 ILE H . 25994 1 523 . 1 . 1 61 61 ILE HA H 1 4.710 . . . . . . . A 61 ILE HA . 25994 1 524 . 1 . 1 61 61 ILE HB H 1 1.500 . . . . . . . A 61 ILE HB . 25994 1 525 . 1 . 1 61 61 ILE HG12 H 1 0.756 . . . . . . . A 61 ILE HG12 . 25994 1 526 . 1 . 1 61 61 ILE HG13 H 1 0.756 . . . . . . . A 61 ILE HG13 . 25994 1 527 . 1 . 1 61 61 ILE HG21 H 1 0.774 . . . . . . . A 61 ILE HG21 . 25994 1 528 . 1 . 1 61 61 ILE HG22 H 1 0.774 . . . . . . . A 61 ILE HG22 . 25994 1 529 . 1 . 1 61 61 ILE HG23 H 1 0.774 . . . . . . . A 61 ILE HG23 . 25994 1 530 . 1 . 1 61 61 ILE CA C 13 60.095 . . . . . . . A 61 ILE CA . 25994 1 531 . 1 . 1 61 61 ILE CB C 13 38.418 . . . . . . . A 61 ILE CB . 25994 1 532 . 1 . 1 61 61 ILE CG1 C 13 27.349 . . . . . . . A 61 ILE CG1 . 25994 1 533 . 1 . 1 61 61 ILE CG2 C 13 18.603 . . . . . . . A 61 ILE CG2 . 25994 1 534 . 1 . 1 61 61 ILE N N 15 122.612 . . . . . . . A 61 ILE N . 25994 1 535 . 1 . 1 62 62 TYR H H 1 9.387 . . . . . . . A 62 TYR H . 25994 1 536 . 1 . 1 62 62 TYR HA H 1 5.324 . . . . . . . A 62 TYR HA . 25994 1 537 . 1 . 1 62 62 TYR HB2 H 1 2.662 . . . . . . . A 62 TYR HB2 . 25994 1 538 . 1 . 1 62 62 TYR CA C 13 56.385 . . . . . . . A 62 TYR CA . 25994 1 539 . 1 . 1 62 62 TYR CB C 13 41.161 . . . . . . . A 62 TYR CB . 25994 1 540 . 1 . 1 62 62 TYR N N 15 127.380 . . . . . . . A 62 TYR N . 25994 1 541 . 1 . 1 63 63 LEU H H 1 8.854 . . . . . . . A 63 LEU H . 25994 1 542 . 1 . 1 63 63 LEU HA H 1 4.694 . . . . . . . A 63 LEU HA . 25994 1 543 . 1 . 1 63 63 LEU HB2 H 1 1.501 . . . . . . . A 63 LEU HB2 . 25994 1 544 . 1 . 1 63 63 LEU HB3 H 1 1.501 . . . . . . . A 63 LEU HB3 . 25994 1 545 . 1 . 1 63 63 LEU HG H 1 1.385 . . . . . . . A 63 LEU HG . 25994 1 546 . 1 . 1 63 63 LEU CA C 13 53.998 . . . . . . . A 63 LEU CA . 25994 1 547 . 1 . 1 63 63 LEU CB C 13 43.644 . . . . . . . A 63 LEU CB . 25994 1 548 . 1 . 1 63 63 LEU CG C 13 26.939 . . . . . . . A 63 LEU CG . 25994 1 549 . 1 . 1 63 63 LEU N N 15 123.029 . . . . . . . A 63 LEU N . 25994 1 550 . 1 . 1 64 64 VAL H H 1 8.976 . . . . . . . A 64 VAL H . 25994 1 551 . 1 . 1 64 64 VAL HA H 1 3.991 . . . . . . . A 64 VAL HA . 25994 1 552 . 1 . 1 64 64 VAL HB H 1 1.342 . . . . . . . A 64 VAL HB . 25994 1 553 . 1 . 1 64 64 VAL HG11 H 1 0.610 . . . . . . . A 64 VAL HG11 . 25994 1 554 . 1 . 1 64 64 VAL HG12 H 1 0.610 . . . . . . . A 64 VAL HG12 . 25994 1 555 . 1 . 1 64 64 VAL HG13 H 1 0.610 . . . . . . . A 64 VAL HG13 . 25994 1 556 . 1 . 1 64 64 VAL HG21 H 1 0.233 . . . . . . . A 64 VAL HG21 . 25994 1 557 . 1 . 1 64 64 VAL HG22 H 1 0.233 . . . . . . . A 64 VAL HG22 . 25994 1 558 . 1 . 1 64 64 VAL HG23 H 1 0.233 . . . . . . . A 64 VAL HG23 . 25994 1 559 . 1 . 1 64 64 VAL CA C 13 61.254 . . . . . . . A 64 VAL CA . 25994 1 560 . 1 . 1 64 64 VAL CB C 13 32.967 . . . . . . . A 64 VAL CB . 25994 1 561 . 1 . 1 64 64 VAL N N 15 125.380 . . . . . . . A 64 VAL N . 25994 1 562 . 1 . 1 65 65 ASP H H 1 8.726 . . . . . . . A 65 ASP H . 25994 1 563 . 1 . 1 65 65 ASP HA H 1 4.888 . . . . . . . A 65 ASP HA . 25994 1 564 . 1 . 1 65 65 ASP HB2 H 1 2.977 . . . . . . . A 65 ASP HB2 . 25994 1 565 . 1 . 1 65 65 ASP CA C 13 52.466 . . . . . . . A 65 ASP CA . 25994 1 566 . 1 . 1 65 65 ASP CB C 13 41.276 . . . . . . . A 65 ASP CB . 25994 1 567 . 1 . 1 65 65 ASP N N 15 128.404 . . . . . . . A 65 ASP N . 25994 1 568 . 1 . 1 66 66 THR H H 1 9.159 . . . . . . . A 66 THR H . 25994 1 569 . 1 . 1 66 66 THR HA H 1 4.347 . . . . . . . A 66 THR HA . 25994 1 570 . 1 . 1 66 66 THR HB H 1 3.898 . . . . . . . A 66 THR HB . 25994 1 571 . 1 . 1 66 66 THR CA C 13 64.824 . . . . . . . A 66 THR CA . 25994 1 572 . 1 . 1 66 66 THR CB C 13 68.380 . . . . . . . A 66 THR CB . 25994 1 573 . 1 . 1 66 66 THR CG2 C 13 23.646 . . . . . . . A 66 THR CG2 . 25994 1 574 . 1 . 1 66 66 THR N N 15 117.665 . . . . . . . A 66 THR N . 25994 1 575 . 1 . 1 67 67 SER H H 1 9.018 . . . . . . . A 67 SER H . 25994 1 576 . 1 . 1 67 67 SER HA H 1 4.369 . . . . . . . A 67 SER HA . 25994 1 577 . 1 . 1 67 67 SER HB2 H 1 3.317 . . . . . . . A 67 SER HB2 . 25994 1 578 . 1 . 1 67 67 SER CA C 13 60.862 . . . . . . . A 67 SER CA . 25994 1 579 . 1 . 1 67 67 SER CB C 13 63.487 . . . . . . . A 67 SER CB . 25994 1 580 . 1 . 1 67 67 SER N N 15 118.825 . . . . . . . A 67 SER N . 25994 1 581 . 1 . 1 68 68 THR H H 1 7.201 . . . . . . . A 68 THR H . 25994 1 582 . 1 . 1 68 68 THR HA H 1 4.512 . . . . . . . A 68 THR HA . 25994 1 583 . 1 . 1 68 68 THR HB H 1 4.466 . . . . . . . A 68 THR HB . 25994 1 584 . 1 . 1 68 68 THR CA C 13 61.821 . . . . . . . A 68 THR CA . 25994 1 585 . 1 . 1 68 68 THR CB C 13 69.240 . . . . . . . A 68 THR CB . 25994 1 586 . 1 . 1 68 68 THR CG2 C 13 21.378 . . . . . . . A 68 THR CG2 . 25994 1 587 . 1 . 1 68 68 THR N N 15 111.542 . . . . . . . A 68 THR N . 25994 1 588 . 1 . 1 69 69 ASN H H 1 7.638 . . . . . . . A 69 ASN H . 25994 1 589 . 1 . 1 69 69 ASN HA H 1 4.800 . . . . . . . A 69 ASN HA . 25994 1 590 . 1 . 1 69 69 ASN HB2 H 1 2.771 . . . . . . . A 69 ASN HB2 . 25994 1 591 . 1 . 1 69 69 ASN CA C 13 52.071 . . . . . . . A 69 ASN CA . 25994 1 592 . 1 . 1 69 69 ASN CB C 13 39.220 . . . . . . . A 69 ASN CB . 25994 1 593 . 1 . 1 69 69 ASN N N 15 119.385 . . . . . . . A 69 ASN N . 25994 1 594 . 1 . 1 70 70 PRO HA H 1 4.380 . . . . . . . A 70 PRO HA . 25994 1 595 . 1 . 1 70 70 PRO HB3 H 1 2.352 . . . . . . . A 70 PRO HB3 . 25994 1 596 . 1 . 1 70 70 PRO HG2 H 1 2.124 . . . . . . . A 70 PRO HG2 . 25994 1 597 . 1 . 1 70 70 PRO HG3 H 1 2.124 . . . . . . . A 70 PRO HG3 . 25994 1 598 . 1 . 1 70 70 PRO HD2 H 1 3.855 . . . . . . . A 70 PRO HD2 . 25994 1 599 . 1 . 1 70 70 PRO HD3 H 1 3.855 . . . . . . . A 70 PRO HD3 . 25994 1 600 . 1 . 1 70 70 PRO CA C 13 65.277 . . . . . . . A 70 PRO CA . 25994 1 601 . 1 . 1 70 70 PRO CB C 13 31.193 . . . . . . . A 70 PRO CB . 25994 1 602 . 1 . 1 70 70 PRO CG C 13 27.425 . . . . . . . A 70 PRO CG . 25994 1 603 . 1 . 1 71 71 GLU H H 1 9.276 . . . . . . . A 71 GLU H . 25994 1 604 . 1 . 1 71 71 GLU HA H 1 4.223 . . . . . . . A 71 GLU HA . 25994 1 605 . 1 . 1 71 71 GLU HB2 H 1 2.101 . . . . . . . A 71 GLU HB2 . 25994 1 606 . 1 . 1 71 71 GLU HB3 H 1 2.101 . . . . . . . A 71 GLU HB3 . 25994 1 607 . 1 . 1 71 71 GLU HG2 H 1 2.429 . . . . . . . A 71 GLU HG2 . 25994 1 608 . 1 . 1 71 71 GLU HG3 H 1 2.429 . . . . . . . A 71 GLU HG3 . 25994 1 609 . 1 . 1 71 71 GLU CA C 13 59.971 . . . . . . . A 71 GLU CA . 25994 1 610 . 1 . 1 71 71 GLU CB C 13 28.283 . . . . . . . A 71 GLU CB . 25994 1 611 . 1 . 1 71 71 GLU CG C 13 36.581 . . . . . . . A 71 GLU CG . 25994 1 612 . 1 . 1 71 71 GLU N N 15 119.569 . . . . . . . A 71 GLU N . 25994 1 613 . 1 . 1 72 72 ALA H H 1 8.052 . . . . . . . A 72 ALA H . 25994 1 614 . 1 . 1 72 72 ALA HA H 1 4.126 . . . . . . . A 72 ALA HA . 25994 1 615 . 1 . 1 72 72 ALA HB1 H 1 1.359 . . . . . . . A 72 ALA HB1 . 25994 1 616 . 1 . 1 72 72 ALA HB2 H 1 1.359 . . . . . . . A 72 ALA HB2 . 25994 1 617 . 1 . 1 72 72 ALA HB3 H 1 1.359 . . . . . . . A 72 ALA HB3 . 25994 1 618 . 1 . 1 72 72 ALA CA C 13 54.842 . . . . . . . A 72 ALA CA . 25994 1 619 . 1 . 1 72 72 ALA CB C 13 18.738 . . . . . . . A 72 ALA CB . 25994 1 620 . 1 . 1 72 72 ALA N N 15 122.061 . . . . . . . A 72 ALA N . 25994 1 621 . 1 . 1 73 73 ARG H H 1 7.679 . . . . . . . A 73 ARG H . 25994 1 622 . 1 . 1 73 73 ARG HA H 1 3.654 . . . . . . . A 73 ARG HA . 25994 1 623 . 1 . 1 73 73 ARG HB2 H 1 1.756 . . . . . . . A 73 ARG HB2 . 25994 1 624 . 1 . 1 73 73 ARG HB3 H 1 1.756 . . . . . . . A 73 ARG HB3 . 25994 1 625 . 1 . 1 73 73 ARG HG2 H 1 1.623 . . . . . . . A 73 ARG HG2 . 25994 1 626 . 1 . 1 73 73 ARG HG3 H 1 1.623 . . . . . . . A 73 ARG HG3 . 25994 1 627 . 1 . 1 73 73 ARG HD2 H 1 3.238 . . . . . . . A 73 ARG HD2 . 25994 1 628 . 1 . 1 73 73 ARG HD3 H 1 3.238 . . . . . . . A 73 ARG HD3 . 25994 1 629 . 1 . 1 73 73 ARG CA C 13 59.933 . . . . . . . A 73 ARG CA . 25994 1 630 . 1 . 1 73 73 ARG CB C 13 29.763 . . . . . . . A 73 ARG CB . 25994 1 631 . 1 . 1 73 73 ARG CG C 13 27.077 . . . . . . . A 73 ARG CG . 25994 1 632 . 1 . 1 73 73 ARG CD C 13 43.099 . . . . . . . A 73 ARG CD . 25994 1 633 . 1 . 1 73 73 ARG N N 15 116.821 . . . . . . . A 73 ARG N . 25994 1 634 . 1 . 1 74 74 GLU H H 1 7.953 . . . . . . . A 74 GLU H . 25994 1 635 . 1 . 1 74 74 GLU HA H 1 4.117 . . . . . . . A 74 GLU HA . 25994 1 636 . 1 . 1 74 74 GLU HB2 H 1 2.121 . . . . . . . A 74 GLU HB2 . 25994 1 637 . 1 . 1 74 74 GLU HB3 H 1 2.121 . . . . . . . A 74 GLU HB3 . 25994 1 638 . 1 . 1 74 74 GLU HG2 H 1 2.334 . . . . . . . A 74 GLU HG2 . 25994 1 639 . 1 . 1 74 74 GLU HG3 H 1 2.334 . . . . . . . A 74 GLU HG3 . 25994 1 640 . 1 . 1 74 74 GLU CA C 13 58.670 . . . . . . . A 74 GLU CA . 25994 1 641 . 1 . 1 74 74 GLU CB C 13 29.727 . . . . . . . A 74 GLU CB . 25994 1 642 . 1 . 1 74 74 GLU CG C 13 36.188 . . . . . . . A 74 GLU CG . 25994 1 643 . 1 . 1 74 74 GLU N N 15 116.565 . . . . . . . A 74 GLU N . 25994 1 644 . 1 . 1 75 75 TRP H H 1 8.302 . . . . . . . A 75 TRP H . 25994 1 645 . 1 . 1 75 75 TRP HA H 1 4.050 . . . . . . . A 75 TRP HA . 25994 1 646 . 1 . 1 75 75 TRP HB2 H 1 3.443 . . . . . . . A 75 TRP HB2 . 25994 1 647 . 1 . 1 75 75 TRP CA C 13 60.528 . . . . . . . A 75 TRP CA . 25994 1 648 . 1 . 1 75 75 TRP CB C 13 29.770 . . . . . . . A 75 TRP CB . 25994 1 649 . 1 . 1 75 75 TRP N N 15 121.481 . . . . . . . A 75 TRP N . 25994 1 650 . 1 . 1 76 76 TYR H H 1 7.539 . . . . . . . A 76 TYR H . 25994 1 651 . 1 . 1 76 76 TYR HA H 1 4.179 . . . . . . . A 76 TYR HA . 25994 1 652 . 1 . 1 76 76 TYR HB2 H 1 3.037 . . . . . . . A 76 TYR HB2 . 25994 1 653 . 1 . 1 76 76 TYR CA C 13 59.219 . . . . . . . A 76 TYR CA . 25994 1 654 . 1 . 1 76 76 TYR CB C 13 38.696 . . . . . . . A 76 TYR CB . 25994 1 655 . 1 . 1 76 76 TYR N N 15 112.030 . . . . . . . A 76 TYR N . 25994 1 656 . 1 . 1 77 77 ASN H H 1 7.699 . . . . . . . A 77 ASN H . 25994 1 657 . 1 . 1 77 77 ASN HA H 1 4.213 . . . . . . . A 77 ASN HA . 25994 1 658 . 1 . 1 77 77 ASN HB2 H 1 2.979 . . . . . . . A 77 ASN HB2 . 25994 1 659 . 1 . 1 77 77 ASN CA C 13 53.822 . . . . . . . A 77 ASN CA . 25994 1 660 . 1 . 1 77 77 ASN CB C 13 36.786 . . . . . . . A 77 ASN CB . 25994 1 661 . 1 . 1 77 77 ASN N N 15 117.850 . . . . . . . A 77 ASN N . 25994 1 662 . 1 . 1 78 78 ILE H H 1 7.879 . . . . . . . A 78 ILE H . 25994 1 663 . 1 . 1 78 78 ILE HA H 1 4.037 . . . . . . . A 78 ILE HA . 25994 1 664 . 1 . 1 78 78 ILE HB H 1 1.704 . . . . . . . A 78 ILE HB . 25994 1 665 . 1 . 1 78 78 ILE HG12 H 1 0.886 . . . . . . . A 78 ILE HG12 . 25994 1 666 . 1 . 1 78 78 ILE HG13 H 1 0.886 . . . . . . . A 78 ILE HG13 . 25994 1 667 . 1 . 1 78 78 ILE CA C 13 58.457 . . . . . . . A 78 ILE CA . 25994 1 668 . 1 . 1 78 78 ILE CB C 13 35.227 . . . . . . . A 78 ILE CB . 25994 1 669 . 1 . 1 78 78 ILE CG1 C 13 31.272 . . . . . . . A 78 ILE CG1 . 25994 1 670 . 1 . 1 78 78 ILE CG2 C 13 17.275 . . . . . . . A 78 ILE CG2 . 25994 1 671 . 1 . 1 78 78 ILE CD1 C 13 9.363 . . . . . . . A 78 ILE CD1 . 25994 1 672 . 1 . 1 78 78 ILE N N 15 117.615 . . . . . . . A 78 ILE N . 25994 1 673 . 1 . 1 79 79 THR H H 1 8.566 . . . . . . . A 79 THR H . 25994 1 674 . 1 . 1 79 79 THR HA H 1 4.352 . . . . . . . A 79 THR HA . 25994 1 675 . 1 . 1 79 79 THR HB H 1 4.311 . . . . . . . A 79 THR HB . 25994 1 676 . 1 . 1 79 79 THR HG1 H 1 4.789 . . . . . . . A 79 THR HG1 . 25994 1 677 . 1 . 1 79 79 THR CA C 13 61.598 . . . . . . . A 79 THR CA . 25994 1 678 . 1 . 1 79 79 THR CB C 13 69.956 . . . . . . . A 79 THR CB . 25994 1 679 . 1 . 1 79 79 THR CG2 C 13 21.324 . . . . . . . A 79 THR CG2 . 25994 1 680 . 1 . 1 79 79 THR N N 15 118.537 . . . . . . . A 79 THR N . 25994 1 681 . 1 . 1 80 80 SER H H 1 7.713 . . . . . . . A 80 SER H . 25994 1 682 . 1 . 1 80 80 SER HA H 1 4.543 . . . . . . . A 80 SER HA . 25994 1 683 . 1 . 1 80 80 SER HB2 H 1 3.700 . . . . . . . A 80 SER HB2 . 25994 1 684 . 1 . 1 80 80 SER HB3 H 1 3.700 . . . . . . . A 80 SER HB3 . 25994 1 685 . 1 . 1 80 80 SER CA C 13 57.708 . . . . . . . A 80 SER CA . 25994 1 686 . 1 . 1 80 80 SER CB C 13 64.728 . . . . . . . A 80 SER CB . 25994 1 687 . 1 . 1 80 80 SER N N 15 116.770 . . . . . . . A 80 SER N . 25994 1 688 . 1 . 1 81 81 VAL H H 1 8.433 . . . . . . . A 81 VAL H . 25994 1 689 . 1 . 1 81 81 VAL HB H 1 1.992 . . . . . . . A 81 VAL HB . 25994 1 690 . 1 . 1 81 81 VAL CB C 13 34.062 . . . . . . . A 81 VAL CB . 25994 1 691 . 1 . 1 81 81 VAL N N 15 115.598 . . . . . . . A 81 VAL N . 25994 1 692 . 1 . 1 82 82 PRO HA H 1 5.303 . . . . . . . A 82 PRO HA . 25994 1 693 . 1 . 1 82 82 PRO HB2 H 1 2.901 . . . . . . . A 82 PRO HB2 . 25994 1 694 . 1 . 1 82 82 PRO HB3 H 1 2.901 . . . . . . . A 82 PRO HB3 . 25994 1 695 . 1 . 1 82 82 PRO HG2 H 1 2.679 . . . . . . . A 82 PRO HG2 . 25994 1 696 . 1 . 1 82 82 PRO HG3 H 1 2.679 . . . . . . . A 82 PRO HG3 . 25994 1 697 . 1 . 1 82 82 PRO HD2 H 1 4.489 . . . . . . . A 82 PRO HD2 . 25994 1 698 . 1 . 1 82 82 PRO HD3 H 1 4.489 . . . . . . . A 82 PRO HD3 . 25994 1 699 . 1 . 1 82 82 PRO CA C 13 62.262 . . . . . . . A 82 PRO CA . 25994 1 700 . 1 . 1 82 82 PRO CB C 13 34.102 . . . . . . . A 82 PRO CB . 25994 1 701 . 1 . 1 82 82 PRO CG C 13 25.622 . . . . . . . A 82 PRO CG . 25994 1 702 . 1 . 1 83 83 THR H H 1 7.925 . . . . . . . A 83 THR H . 25994 1 703 . 1 . 1 83 83 THR HA H 1 4.726 . . . . . . . A 83 THR HA . 25994 1 704 . 1 . 1 83 83 THR HB H 1 3.881 . . . . . . . A 83 THR HB . 25994 1 705 . 1 . 1 83 83 THR CA C 13 63.304 . . . . . . . A 83 THR CA . 25994 1 706 . 1 . 1 83 83 THR CB C 13 66.527 . . . . . . . A 83 THR CB . 25994 1 707 . 1 . 1 83 83 THR CG2 C 13 22.124 . . . . . . . A 83 THR CG2 . 25994 1 708 . 1 . 1 83 83 THR N N 15 117.081 . . . . . . . A 83 THR N . 25994 1 709 . 1 . 1 84 84 PHE H H 1 9.374 . . . . . . . A 84 PHE H . 25994 1 710 . 1 . 1 84 84 PHE HA H 1 5.729 . . . . . . . A 84 PHE HA . 25994 1 711 . 1 . 1 84 84 PHE HB2 H 1 3.202 . . . . . . . A 84 PHE HB2 . 25994 1 712 . 1 . 1 84 84 PHE HD1 H 1 7.156 . . . . . . . A 84 PHE HD1 . 25994 1 713 . 1 . 1 84 84 PHE HD2 H 1 7.156 . . . . . . . A 84 PHE HD2 . 25994 1 714 . 1 . 1 84 84 PHE CA C 13 55.349 . . . . . . . A 84 PHE CA . 25994 1 715 . 1 . 1 84 84 PHE CB C 13 40.618 . . . . . . . A 84 PHE CB . 25994 1 716 . 1 . 1 84 84 PHE N N 15 125.026 . . . . . . . A 84 PHE N . 25994 1 717 . 1 . 1 85 85 VAL H H 1 9.660 . . . . . . . A 85 VAL H . 25994 1 718 . 1 . 1 85 85 VAL HA H 1 4.523 . . . . . . . A 85 VAL HA . 25994 1 719 . 1 . 1 85 85 VAL HB H 1 2.061 . . . . . . . A 85 VAL HB . 25994 1 720 . 1 . 1 85 85 VAL CA C 13 62.492 . . . . . . . A 85 VAL CA . 25994 1 721 . 1 . 1 85 85 VAL CB C 13 34.646 . . . . . . . A 85 VAL CB . 25994 1 722 . 1 . 1 85 85 VAL N N 15 125.430 . . . . . . . A 85 VAL N . 25994 1 723 . 1 . 1 86 86 ILE H H 1 8.625 . . . . . . . A 86 ILE H . 25994 1 724 . 1 . 1 86 86 ILE HA H 1 5.203 . . . . . . . A 86 ILE HA . 25994 1 725 . 1 . 1 86 86 ILE HB H 1 1.433 . . . . . . . A 86 ILE HB . 25994 1 726 . 1 . 1 86 86 ILE HG21 H 1 0.847 . . . . . . . A 86 ILE HG21 . 25994 1 727 . 1 . 1 86 86 ILE HG22 H 1 0.847 . . . . . . . A 86 ILE HG22 . 25994 1 728 . 1 . 1 86 86 ILE HG23 H 1 0.847 . . . . . . . A 86 ILE HG23 . 25994 1 729 . 1 . 1 86 86 ILE CA C 13 60.153 . . . . . . . A 86 ILE CA . 25994 1 730 . 1 . 1 86 86 ILE CB C 13 39.254 . . . . . . . A 86 ILE CB . 25994 1 731 . 1 . 1 86 86 ILE CG1 C 13 28.249 . . . . . . . A 86 ILE CG1 . 25994 1 732 . 1 . 1 86 86 ILE CG2 C 13 19.446 . . . . . . . A 86 ILE CG2 . 25994 1 733 . 1 . 1 86 86 ILE CD1 C 13 19.287 . . . . . . . A 86 ILE CD1 . 25994 1 734 . 1 . 1 86 86 ILE N N 15 126.702 . . . . . . . A 86 ILE N . 25994 1 735 . 1 . 1 87 87 GLU H H 1 9.467 . . . . . . . A 87 GLU H . 25994 1 736 . 1 . 1 87 87 GLU HA H 1 5.267 . . . . . . . A 87 GLU HA . 25994 1 737 . 1 . 1 87 87 GLU HB2 H 1 2.074 . . . . . . . A 87 GLU HB2 . 25994 1 738 . 1 . 1 87 87 GLU HB3 H 1 2.074 . . . . . . . A 87 GLU HB3 . 25994 1 739 . 1 . 1 87 87 GLU CA C 13 55.028 . . . . . . . A 87 GLU CA . 25994 1 740 . 1 . 1 87 87 GLU CB C 13 35.642 . . . . . . . A 87 GLU CB . 25994 1 741 . 1 . 1 87 87 GLU N N 15 127.308 . . . . . . . A 87 GLU N . 25994 1 742 . 1 . 1 88 88 LYS H H 1 8.450 . . . . . . . A 88 LYS H . 25994 1 743 . 1 . 1 88 88 LYS HA H 1 4.829 . . . . . . . A 88 LYS HA . 25994 1 744 . 1 . 1 88 88 LYS HB2 H 1 1.698 . . . . . . . A 88 LYS HB2 . 25994 1 745 . 1 . 1 88 88 LYS HB3 H 1 1.698 . . . . . . . A 88 LYS HB3 . 25994 1 746 . 1 . 1 88 88 LYS HG2 H 1 1.142 . . . . . . . A 88 LYS HG2 . 25994 1 747 . 1 . 1 88 88 LYS HG3 H 1 1.142 . . . . . . . A 88 LYS HG3 . 25994 1 748 . 1 . 1 88 88 LYS HE2 H 1 2.968 . . . . . . . A 88 LYS HE2 . 25994 1 749 . 1 . 1 88 88 LYS HE3 H 1 2.968 . . . . . . . A 88 LYS HE3 . 25994 1 750 . 1 . 1 88 88 LYS CA C 13 56.632 . . . . . . . A 88 LYS CA . 25994 1 751 . 1 . 1 88 88 LYS CB C 13 36.814 . . . . . . . A 88 LYS CB . 25994 1 752 . 1 . 1 88 88 LYS CG C 13 24.565 . . . . . . . A 88 LYS CG . 25994 1 753 . 1 . 1 88 88 LYS CD C 13 29.874 . . . . . . . A 88 LYS CD . 25994 1 754 . 1 . 1 88 88 LYS CE C 13 41.818 . . . . . . . A 88 LYS CE . 25994 1 755 . 1 . 1 88 88 LYS N N 15 119.412 . . . . . . . A 88 LYS N . 25994 1 756 . 1 . 1 89 89 GLY H H 1 9.223 . . . . . . . A 89 GLY H . 25994 1 757 . 1 . 1 89 89 GLY HA2 H 1 4.081 . . . . . . . A 89 GLY HA2 . 25994 1 758 . 1 . 1 89 89 GLY CA C 13 47.615 . . . . . . . A 89 GLY CA . 25994 1 759 . 1 . 1 89 89 GLY N N 15 121.090 . . . . . . . A 89 GLY N . 25994 1 760 . 1 . 1 90 90 GLY H H 1 8.963 . . . . . . . A 90 GLY H . 25994 1 761 . 1 . 1 90 90 GLY HA2 H 1 4.176 . . . . . . . A 90 GLY HA2 . 25994 1 762 . 1 . 1 90 90 GLY CA C 13 44.973 . . . . . . . A 90 GLY CA . 25994 1 763 . 1 . 1 90 90 GLY N N 15 106.174 . . . . . . . A 90 GLY N . 25994 1 764 . 1 . 1 91 91 GLU H H 1 7.812 . . . . . . . A 91 GLU H . 25994 1 765 . 1 . 1 91 91 GLU HA H 1 4.899 . . . . . . . A 91 GLU HA . 25994 1 766 . 1 . 1 91 91 GLU CA C 13 52.830 . . . . . . . A 91 GLU CA . 25994 1 767 . 1 . 1 91 91 GLU CB C 13 30.931 . . . . . . . A 91 GLU CB . 25994 1 768 . 1 . 1 91 91 GLU N N 15 122.050 . . . . . . . A 91 GLU N . 25994 1 769 . 1 . 1 92 92 PRO HA H 1 4.696 . . . . . . . A 92 PRO HA . 25994 1 770 . 1 . 1 92 92 PRO HB3 H 1 2.386 . . . . . . . A 92 PRO HB3 . 25994 1 771 . 1 . 1 92 92 PRO HG2 H 1 2.252 . . . . . . . A 92 PRO HG2 . 25994 1 772 . 1 . 1 92 92 PRO HG3 H 1 2.252 . . . . . . . A 92 PRO HG3 . 25994 1 773 . 1 . 1 92 92 PRO HD2 H 1 4.034 . . . . . . . A 92 PRO HD2 . 25994 1 774 . 1 . 1 92 92 PRO HD3 H 1 4.034 . . . . . . . A 92 PRO HD3 . 25994 1 775 . 1 . 1 92 92 PRO CA C 13 63.404 . . . . . . . A 92 PRO CA . 25994 1 776 . 1 . 1 92 92 PRO CB C 13 32.182 . . . . . . . A 92 PRO CB . 25994 1 777 . 1 . 1 92 92 PRO CG C 13 27.423 . . . . . . . A 92 PRO CG . 25994 1 778 . 1 . 1 93 93 LEU H H 1 9.311 . . . . . . . A 93 LEU H . 25994 1 779 . 1 . 1 93 93 LEU HA H 1 4.645 . . . . . . . A 93 LEU HA . 25994 1 780 . 1 . 1 93 93 LEU HB2 H 1 1.572 . . . . . . . A 93 LEU HB2 . 25994 1 781 . 1 . 1 93 93 LEU HG H 1 1.425 . . . . . . . A 93 LEU HG . 25994 1 782 . 1 . 1 93 93 LEU CA C 13 54.401 . . . . . . . A 93 LEU CA . 25994 1 783 . 1 . 1 93 93 LEU CB C 13 44.452 . . . . . . . A 93 LEU CB . 25994 1 784 . 1 . 1 93 93 LEU CG C 13 26.854 . . . . . . . A 93 LEU CG . 25994 1 785 . 1 . 1 93 93 LEU N N 15 123.589 . . . . . . . A 93 LEU N . 25994 1 786 . 1 . 1 94 94 GLY H H 1 7.832 . . . . . . . A 94 GLY H . 25994 1 787 . 1 . 1 94 94 GLY HA2 H 1 4.070 . . . . . . . A 94 GLY HA2 . 25994 1 788 . 1 . 1 94 94 GLY HA3 H 1 4.070 . . . . . . . A 94 GLY HA3 . 25994 1 789 . 1 . 1 94 94 GLY CA C 13 45.375 . . . . . . . A 94 GLY CA . 25994 1 790 . 1 . 1 94 94 GLY N N 15 106.140 . . . . . . . A 94 GLY N . 25994 1 791 . 1 . 1 95 95 GLU H H 1 8.506 . . . . . . . A 95 GLU H . 25994 1 792 . 1 . 1 95 95 GLU HA H 1 5.319 . . . . . . . A 95 GLU HA . 25994 1 793 . 1 . 1 95 95 GLU HB2 H 1 2.050 . . . . . . . A 95 GLU HB2 . 25994 1 794 . 1 . 1 95 95 GLU HB3 H 1 2.050 . . . . . . . A 95 GLU HB3 . 25994 1 795 . 1 . 1 95 95 GLU HG2 H 1 2.173 . . . . . . . A 95 GLU HG2 . 25994 1 796 . 1 . 1 95 95 GLU HG3 H 1 2.173 . . . . . . . A 95 GLU HG3 . 25994 1 797 . 1 . 1 95 95 GLU CA C 13 55.449 . . . . . . . A 95 GLU CA . 25994 1 798 . 1 . 1 95 95 GLU CB C 13 33.328 . . . . . . . A 95 GLU CB . 25994 1 799 . 1 . 1 95 95 GLU CG C 13 36.422 . . . . . . . A 95 GLU CG . 25994 1 800 . 1 . 1 95 95 GLU N N 15 119.305 . . . . . . . A 95 GLU N . 25994 1 801 . 1 . 1 96 96 VAL H H 1 9.256 . . . . . . . A 96 VAL H . 25994 1 802 . 1 . 1 96 96 VAL HA H 1 4.325 . . . . . . . A 96 VAL HA . 25994 1 803 . 1 . 1 96 96 VAL HB H 1 2.043 . . . . . . . A 96 VAL HB . 25994 1 804 . 1 . 1 96 96 VAL HG11 H 1 0.959 . . . . . . . A 96 VAL HG11 . 25994 1 805 . 1 . 1 96 96 VAL HG12 H 1 0.959 . . . . . . . A 96 VAL HG12 . 25994 1 806 . 1 . 1 96 96 VAL HG13 H 1 0.959 . . . . . . . A 96 VAL HG13 . 25994 1 807 . 1 . 1 96 96 VAL HG21 H 1 0.795 . . . . . . . A 96 VAL HG21 . 25994 1 808 . 1 . 1 96 96 VAL HG22 H 1 0.795 . . . . . . . A 96 VAL HG22 . 25994 1 809 . 1 . 1 96 96 VAL HG23 H 1 0.795 . . . . . . . A 96 VAL HG23 . 25994 1 810 . 1 . 1 96 96 VAL CA C 13 62.024 . . . . . . . A 96 VAL CA . 25994 1 811 . 1 . 1 96 96 VAL CB C 13 35.024 . . . . . . . A 96 VAL CB . 25994 1 812 . 1 . 1 96 96 VAL N N 15 124.940 . . . . . . . A 96 VAL N . 25994 1 813 . 1 . 1 97 97 LYS H H 1 8.940 . . . . . . . A 97 LYS H . 25994 1 814 . 1 . 1 97 97 LYS HA H 1 4.730 . . . . . . . A 97 LYS HA . 25994 1 815 . 1 . 1 97 97 LYS HB2 H 1 1.780 . . . . . . . A 97 LYS HB2 . 25994 1 816 . 1 . 1 97 97 LYS HB3 H 1 1.780 . . . . . . . A 97 LYS HB3 . 25994 1 817 . 1 . 1 97 97 LYS HG2 H 1 1.433 . . . . . . . A 97 LYS HG2 . 25994 1 818 . 1 . 1 97 97 LYS HG3 H 1 1.433 . . . . . . . A 97 LYS HG3 . 25994 1 819 . 1 . 1 97 97 LYS HD2 H 1 1.639 . . . . . . . A 97 LYS HD2 . 25994 1 820 . 1 . 1 97 97 LYS HD3 H 1 1.639 . . . . . . . A 97 LYS HD3 . 25994 1 821 . 1 . 1 97 97 LYS HE2 H 1 2.936 . . . . . . . A 97 LYS HE2 . 25994 1 822 . 1 . 1 97 97 LYS HE3 H 1 2.936 . . . . . . . A 97 LYS HE3 . 25994 1 823 . 1 . 1 97 97 LYS CA C 13 56.180 . . . . . . . A 97 LYS CA . 25994 1 824 . 1 . 1 97 97 LYS CB C 13 33.608 . . . . . . . A 97 LYS CB . 25994 1 825 . 1 . 1 97 97 LYS CG C 13 25.250 . . . . . . . A 97 LYS CG . 25994 1 826 . 1 . 1 97 97 LYS CD C 13 29.201 . . . . . . . A 97 LYS CD . 25994 1 827 . 1 . 1 97 97 LYS CE C 13 41.861 . . . . . . . A 97 LYS CE . 25994 1 828 . 1 . 1 97 97 LYS N N 15 127.648 . . . . . . . A 97 LYS N . 25994 1 829 . 1 . 1 98 98 GLY H H 1 7.926 . . . . . . . A 98 GLY H . 25994 1 830 . 1 . 1 98 98 GLY HA2 H 1 3.749 . . . . . . . A 98 GLY HA2 . 25994 1 831 . 1 . 1 98 98 GLY HA3 H 1 3.749 . . . . . . . A 98 GLY HA3 . 25994 1 832 . 1 . 1 98 98 GLY CA C 13 44.715 . . . . . . . A 98 GLY CA . 25994 1 833 . 1 . 1 98 98 GLY N N 15 110.999 . . . . . . . A 98 GLY N . 25994 1 834 . 1 . 1 99 99 PRO HA H 1 4.428 . . . . . . . A 99 PRO HA . 25994 1 835 . 1 . 1 99 99 PRO HB3 H 1 2.380 . . . . . . . A 99 PRO HB3 . 25994 1 836 . 1 . 1 99 99 PRO HG2 H 1 1.965 . . . . . . . A 99 PRO HG2 . 25994 1 837 . 1 . 1 99 99 PRO HG3 H 1 1.965 . . . . . . . A 99 PRO HG3 . 25994 1 838 . 1 . 1 99 99 PRO HD2 H 1 3.670 . . . . . . . A 99 PRO HD2 . 25994 1 839 . 1 . 1 99 99 PRO CA C 13 63.157 . . . . . . . A 99 PRO CA . 25994 1 840 . 1 . 1 99 99 PRO CB C 13 30.024 . . . . . . . A 99 PRO CB . 25994 1 841 . 1 . 1 99 99 PRO CG C 13 26.925 . . . . . . . A 99 PRO CG . 25994 1 842 . 1 . 1 99 99 PRO CD C 13 49.179 . . . . . . . A 99 PRO CD . 25994 1 843 . 1 . 1 100 100 ASP H H 1 7.965 . . . . . . . A 100 ASP H . 25994 1 844 . 1 . 1 100 100 ASP HA H 1 4.747 . . . . . . . A 100 ASP HA . 25994 1 845 . 1 . 1 100 100 ASP HB2 H 1 2.833 . . . . . . . A 100 ASP HB2 . 25994 1 846 . 1 . 1 100 100 ASP CA C 13 52.883 . . . . . . . A 100 ASP CA . 25994 1 847 . 1 . 1 100 100 ASP CB C 13 40.331 . . . . . . . A 100 ASP CB . 25994 1 848 . 1 . 1 100 100 ASP N N 15 122.665 . . . . . . . A 100 ASP N . 25994 1 849 . 1 . 1 101 101 ILE H H 1 8.134 . . . . . . . A 101 ILE H . 25994 1 850 . 1 . 1 101 101 ILE HA H 1 3.528 . . . . . . . A 101 ILE HA . 25994 1 851 . 1 . 1 101 101 ILE HB H 1 1.949 . . . . . . . A 101 ILE HB . 25994 1 852 . 1 . 1 101 101 ILE HG12 H 1 1.393 . . . . . . . A 101 ILE HG12 . 25994 1 853 . 1 . 1 101 101 ILE HG13 H 1 1.393 . . . . . . . A 101 ILE HG13 . 25994 1 854 . 1 . 1 101 101 ILE CA C 13 61.929 . . . . . . . A 101 ILE CA . 25994 1 855 . 1 . 1 101 101 ILE CB C 13 36.621 . . . . . . . A 101 ILE CB . 25994 1 856 . 1 . 1 101 101 ILE CG1 C 13 28.539 . . . . . . . A 101 ILE CG1 . 25994 1 857 . 1 . 1 101 101 ILE CG2 C 13 17.826 . . . . . . . A 101 ILE CG2 . 25994 1 858 . 1 . 1 101 101 ILE CD1 C 13 12.199 . . . . . . . A 101 ILE CD1 . 25994 1 859 . 1 . 1 101 101 ILE N N 15 124.610 . . . . . . . A 101 ILE N . 25994 1 860 . 1 . 1 102 102 ASP H H 1 8.338 . . . . . . . A 102 ASP H . 25994 1 861 . 1 . 1 102 102 ASP HA H 1 4.417 . . . . . . . A 102 ASP HA . 25994 1 862 . 1 . 1 102 102 ASP HB2 H 1 2.699 . . . . . . . A 102 ASP HB2 . 25994 1 863 . 1 . 1 102 102 ASP HB3 H 1 2.699 . . . . . . . A 102 ASP HB3 . 25994 1 864 . 1 . 1 102 102 ASP CA C 13 57.989 . . . . . . . A 102 ASP CA . 25994 1 865 . 1 . 1 102 102 ASP CB C 13 39.661 . . . . . . . A 102 ASP CB . 25994 1 866 . 1 . 1 102 102 ASP N N 15 121.503 . . . . . . . A 102 ASP N . 25994 1 867 . 1 . 1 103 103 LYS H H 1 7.723 . . . . . . . A 103 LYS H . 25994 1 868 . 1 . 1 103 103 LYS HA H 1 4.191 . . . . . . . A 103 LYS HA . 25994 1 869 . 1 . 1 103 103 LYS HB2 H 1 1.790 . . . . . . . A 103 LYS HB2 . 25994 1 870 . 1 . 1 103 103 LYS HB3 H 1 1.790 . . . . . . . A 103 LYS HB3 . 25994 1 871 . 1 . 1 103 103 LYS HG2 H 1 1.429 . . . . . . . A 103 LYS HG2 . 25994 1 872 . 1 . 1 103 103 LYS HG3 H 1 1.429 . . . . . . . A 103 LYS HG3 . 25994 1 873 . 1 . 1 103 103 LYS HD2 H 1 1.720 . . . . . . . A 103 LYS HD2 . 25994 1 874 . 1 . 1 103 103 LYS HD3 H 1 1.720 . . . . . . . A 103 LYS HD3 . 25994 1 875 . 1 . 1 103 103 LYS HE2 H 1 2.972 . . . . . . . A 103 LYS HE2 . 25994 1 876 . 1 . 1 103 103 LYS HE3 H 1 2.972 . . . . . . . A 103 LYS HE3 . 25994 1 877 . 1 . 1 103 103 LYS CA C 13 57.354 . . . . . . . A 103 LYS CA . 25994 1 878 . 1 . 1 103 103 LYS CB C 13 31.523 . . . . . . . A 103 LYS CB . 25994 1 879 . 1 . 1 103 103 LYS CG C 13 24.602 . . . . . . . A 103 LYS CG . 25994 1 880 . 1 . 1 103 103 LYS CD C 13 28.078 . . . . . . . A 103 LYS CD . 25994 1 881 . 1 . 1 103 103 LYS CE C 13 41.795 . . . . . . . A 103 LYS CE . 25994 1 882 . 1 . 1 103 103 LYS N N 15 121.048 . . . . . . . A 103 LYS N . 25994 1 883 . 1 . 1 104 104 LEU H H 1 7.586 . . . . . . . A 104 LEU H . 25994 1 884 . 1 . 1 104 104 LEU HA H 1 4.774 . . . . . . . A 104 LEU HA . 25994 1 885 . 1 . 1 104 104 LEU HB2 H 1 2.049 . . . . . . . A 104 LEU HB2 . 25994 1 886 . 1 . 1 104 104 LEU HB3 H 1 2.049 . . . . . . . A 104 LEU HB3 . 25994 1 887 . 1 . 1 104 104 LEU HG H 1 1.816 . . . . . . . A 104 LEU HG . 25994 1 888 . 1 . 1 104 104 LEU HD11 H 1 1.087 . . . . . . . A 104 LEU HD11 . 25994 1 889 . 1 . 1 104 104 LEU HD12 H 1 1.087 . . . . . . . A 104 LEU HD12 . 25994 1 890 . 1 . 1 104 104 LEU HD13 H 1 1.087 . . . . . . . A 104 LEU HD13 . 25994 1 891 . 1 . 1 104 104 LEU HD21 H 1 0.851 . . . . . . . A 104 LEU HD21 . 25994 1 892 . 1 . 1 104 104 LEU HD22 H 1 0.851 . . . . . . . A 104 LEU HD22 . 25994 1 893 . 1 . 1 104 104 LEU HD23 H 1 0.851 . . . . . . . A 104 LEU HD23 . 25994 1 894 . 1 . 1 104 104 LEU CA C 13 58.522 . . . . . . . A 104 LEU CA . 25994 1 895 . 1 . 1 104 104 LEU CB C 13 40.716 . . . . . . . A 104 LEU CB . 25994 1 896 . 1 . 1 104 104 LEU N N 15 122.464 . . . . . . . A 104 LEU N . 25994 1 897 . 1 . 1 105 105 ARG H H 1 8.493 . . . . . . . A 105 ARG H . 25994 1 898 . 1 . 1 105 105 ARG HA H 1 3.613 . . . . . . . A 105 ARG HA . 25994 1 899 . 1 . 1 105 105 ARG HB2 H 1 1.878 . . . . . . . A 105 ARG HB2 . 25994 1 900 . 1 . 1 105 105 ARG HB3 H 1 1.878 . . . . . . . A 105 ARG HB3 . 25994 1 901 . 1 . 1 105 105 ARG HD2 H 1 3.294 . . . . . . . A 105 ARG HD2 . 25994 1 902 . 1 . 1 105 105 ARG HD3 H 1 3.294 . . . . . . . A 105 ARG HD3 . 25994 1 903 . 1 . 1 105 105 ARG HE H 1 7.809 . . . . . . . A 105 ARG HE . 25994 1 904 . 1 . 1 105 105 ARG CA C 13 60.627 . . . . . . . A 105 ARG CA . 25994 1 905 . 1 . 1 105 105 ARG CB C 13 29.880 . . . . . . . A 105 ARG CB . 25994 1 906 . 1 . 1 105 105 ARG CG C 13 28.267 . . . . . . . A 105 ARG CG . 25994 1 907 . 1 . 1 105 105 ARG CD C 13 43.023 . . . . . . . A 105 ARG CD . 25994 1 908 . 1 . 1 105 105 ARG N N 15 119.542 . . . . . . . A 105 ARG N . 25994 1 909 . 1 . 1 106 106 GLU H H 1 8.106 . . . . . . . A 106 GLU H . 25994 1 910 . 1 . 1 106 106 GLU HA H 1 4.091 . . . . . . . A 106 GLU HA . 25994 1 911 . 1 . 1 106 106 GLU HB2 H 1 2.127 . . . . . . . A 106 GLU HB2 . 25994 1 912 . 1 . 1 106 106 GLU HB3 H 1 2.127 . . . . . . . A 106 GLU HB3 . 25994 1 913 . 1 . 1 106 106 GLU CA C 13 59.533 . . . . . . . A 106 GLU CA . 25994 1 914 . 1 . 1 106 106 GLU CB C 13 29.942 . . . . . . . A 106 GLU CB . 25994 1 915 . 1 . 1 106 106 GLU CG C 13 36.347 . . . . . . . A 106 GLU CG . 25994 1 916 . 1 . 1 106 106 GLU N N 15 117.517 . . . . . . . A 106 GLU N . 25994 1 917 . 1 . 1 107 107 THR H H 1 8.037 . . . . . . . A 107 THR H . 25994 1 918 . 1 . 1 107 107 THR HA H 1 4.161 . . . . . . . A 107 THR HA . 25994 1 919 . 1 . 1 107 107 THR HB H 1 3.937 . . . . . . . A 107 THR HB . 25994 1 920 . 1 . 1 107 107 THR CA C 13 67.275 . . . . . . . A 107 THR CA . 25994 1 921 . 1 . 1 107 107 THR CB C 13 68.847 . . . . . . . A 107 THR CB . 25994 1 922 . 1 . 1 107 107 THR CG2 C 13 20.671 . . . . . . . A 107 THR CG2 . 25994 1 923 . 1 . 1 107 107 THR N N 15 117.077 . . . . . . . A 107 THR N . 25994 1 924 . 1 . 1 108 108 LEU H H 1 8.387 . . . . . . . A 108 LEU H . 25994 1 925 . 1 . 1 108 108 LEU HA H 1 3.755 . . . . . . . A 108 LEU HA . 25994 1 926 . 1 . 1 108 108 LEU HB2 H 1 1.359 . . . . . . . A 108 LEU HB2 . 25994 1 927 . 1 . 1 108 108 LEU HG H 1 0.370 . . . . . . . A 108 LEU HG . 25994 1 928 . 1 . 1 108 108 LEU CA C 13 58.259 . . . . . . . A 108 LEU CA . 25994 1 929 . 1 . 1 108 108 LEU CB C 13 41.519 . . . . . . . A 108 LEU CB . 25994 1 930 . 1 . 1 108 108 LEU N N 15 122.060 . . . . . . . A 108 LEU N . 25994 1 931 . 1 . 1 109 109 ASP H H 1 8.508 . . . . . . . A 109 ASP H . 25994 1 932 . 1 . 1 109 109 ASP HA H 1 4.479 . . . . . . . A 109 ASP HA . 25994 1 933 . 1 . 1 109 109 ASP HB2 H 1 2.864 . . . . . . . A 109 ASP HB2 . 25994 1 934 . 1 . 1 109 109 ASP CA C 13 58.123 . . . . . . . A 109 ASP CA . 25994 1 935 . 1 . 1 109 109 ASP CB C 13 40.863 . . . . . . . A 109 ASP CB . 25994 1 936 . 1 . 1 109 109 ASP N N 15 118.714 . . . . . . . A 109 ASP N . 25994 1 937 . 1 . 1 110 110 GLU H H 1 7.697 . . . . . . . A 110 GLU H . 25994 1 938 . 1 . 1 110 110 GLU HA H 1 4.045 . . . . . . . A 110 GLU HA . 25994 1 939 . 1 . 1 110 110 GLU HB2 H 1 2.160 . . . . . . . A 110 GLU HB2 . 25994 1 940 . 1 . 1 110 110 GLU HB3 H 1 2.160 . . . . . . . A 110 GLU HB3 . 25994 1 941 . 1 . 1 110 110 GLU HG2 H 1 2.416 . . . . . . . A 110 GLU HG2 . 25994 1 942 . 1 . 1 110 110 GLU CA C 13 59.695 . . . . . . . A 110 GLU CA . 25994 1 943 . 1 . 1 110 110 GLU CB C 13 29.383 . . . . . . . A 110 GLU CB . 25994 1 944 . 1 . 1 110 110 GLU CG C 13 36.174 . . . . . . . A 110 GLU CG . 25994 1 945 . 1 . 1 110 110 GLU N N 15 119.351 . . . . . . . A 110 GLU N . 25994 1 946 . 1 . 1 111 111 LEU H H 1 8.168 . . . . . . . A 111 LEU H . 25994 1 947 . 1 . 1 111 111 LEU HA H 1 3.999 . . . . . . . A 111 LEU HA . 25994 1 948 . 1 . 1 111 111 LEU HB2 H 1 1.846 . . . . . . . A 111 LEU HB2 . 25994 1 949 . 1 . 1 111 111 LEU HG H 1 1.671 . . . . . . . A 111 LEU HG . 25994 1 950 . 1 . 1 111 111 LEU CA C 13 57.788 . . . . . . . A 111 LEU CA . 25994 1 951 . 1 . 1 111 111 LEU CB C 13 42.456 . . . . . . . A 111 LEU CB . 25994 1 952 . 1 . 1 111 111 LEU CG C 13 26.469 . . . . . . . A 111 LEU CG . 25994 1 953 . 1 . 1 111 111 LEU N N 15 120.386 . . . . . . . A 111 LEU N . 25994 1 954 . 1 . 1 112 112 LEU H H 1 8.684 . . . . . . . A 112 LEU H . 25994 1 955 . 1 . 1 112 112 LEU HA H 1 3.902 . . . . . . . A 112 LEU HA . 25994 1 956 . 1 . 1 112 112 LEU HB2 H 1 1.892 . . . . . . . A 112 LEU HB2 . 25994 1 957 . 1 . 1 112 112 LEU HG H 1 1.680 . . . . . . . A 112 LEU HG . 25994 1 958 . 1 . 1 112 112 LEU HD11 H 1 0.882 . . . . . . . A 112 LEU HD11 . 25994 1 959 . 1 . 1 112 112 LEU HD12 H 1 0.882 . . . . . . . A 112 LEU HD12 . 25994 1 960 . 1 . 1 112 112 LEU HD13 H 1 0.882 . . . . . . . A 112 LEU HD13 . 25994 1 961 . 1 . 1 112 112 LEU HD21 H 1 0.797 . . . . . . . A 112 LEU HD21 . 25994 1 962 . 1 . 1 112 112 LEU HD22 H 1 0.797 . . . . . . . A 112 LEU HD22 . 25994 1 963 . 1 . 1 112 112 LEU HD23 H 1 0.797 . . . . . . . A 112 LEU HD23 . 25994 1 964 . 1 . 1 112 112 LEU CA C 13 57.983 . . . . . . . A 112 LEU CA . 25994 1 965 . 1 . 1 112 112 LEU CB C 13 41.170 . . . . . . . A 112 LEU CB . 25994 1 966 . 1 . 1 112 112 LEU CG C 13 26.005 . . . . . . . A 112 LEU CG . 25994 1 967 . 1 . 1 112 112 LEU N N 15 119.003 . . . . . . . A 112 LEU N . 25994 1 968 . 1 . 1 113 113 ALA H H 1 7.638 . . . . . . . A 113 ALA H . 25994 1 969 . 1 . 1 113 113 ALA HA H 1 4.163 . . . . . . . A 113 ALA HA . 25994 1 970 . 1 . 1 113 113 ALA HB1 H 1 1.475 . . . . . . . A 113 ALA HB1 . 25994 1 971 . 1 . 1 113 113 ALA HB2 H 1 1.475 . . . . . . . A 113 ALA HB2 . 25994 1 972 . 1 . 1 113 113 ALA HB3 H 1 1.475 . . . . . . . A 113 ALA HB3 . 25994 1 973 . 1 . 1 113 113 ALA CA C 13 54.489 . . . . . . . A 113 ALA CA . 25994 1 974 . 1 . 1 113 113 ALA CB C 13 18.187 . . . . . . . A 113 ALA CB . 25994 1 975 . 1 . 1 113 113 ALA N N 15 120.585 . . . . . . . A 113 ALA N . 25994 1 976 . 1 . 1 114 114 ARG H H 1 7.796 . . . . . . . A 114 ARG H . 25994 1 977 . 1 . 1 114 114 ARG HA H 1 4.195 . . . . . . . A 114 ARG HA . 25994 1 978 . 1 . 1 114 114 ARG HB2 H 1 1.937 . . . . . . . A 114 ARG HB2 . 25994 1 979 . 1 . 1 114 114 ARG HB3 H 1 1.937 . . . . . . . A 114 ARG HB3 . 25994 1 980 . 1 . 1 114 114 ARG CA C 13 58.204 . . . . . . . A 114 ARG CA . 25994 1 981 . 1 . 1 114 114 ARG CB C 13 30.718 . . . . . . . A 114 ARG CB . 25994 1 982 . 1 . 1 114 114 ARG N N 15 117.539 . . . . . . . A 114 ARG N . 25994 1 983 . 1 . 1 115 115 LEU H H 1 8.120 . . . . . . . A 115 LEU H . 25994 1 984 . 1 . 1 115 115 LEU HA H 1 4.208 . . . . . . . A 115 LEU HA . 25994 1 985 . 1 . 1 115 115 LEU HB2 H 1 1.757 . . . . . . . A 115 LEU HB2 . 25994 1 986 . 1 . 1 115 115 LEU CA C 13 56.283 . . . . . . . A 115 LEU CA . 25994 1 987 . 1 . 1 115 115 LEU CB C 13 42.298 . . . . . . . A 115 LEU CB . 25994 1 988 . 1 . 1 115 115 LEU N N 15 119.040 . . . . . . . A 115 LEU N . 25994 1 989 . 1 . 1 116 116 GLU H H 1 7.936 . . . . . . . A 116 GLU H . 25994 1 990 . 1 . 1 116 116 GLU HA H 1 4.212 . . . . . . . A 116 GLU HA . 25994 1 991 . 1 . 1 116 116 GLU HB2 H 1 1.953 . . . . . . . A 116 GLU HB2 . 25994 1 992 . 1 . 1 116 116 GLU HB3 H 1 1.953 . . . . . . . A 116 GLU HB3 . 25994 1 993 . 1 . 1 116 116 GLU HG2 H 1 2.177 . . . . . . . A 116 GLU HG2 . 25994 1 994 . 1 . 1 116 116 GLU HG3 H 1 2.177 . . . . . . . A 116 GLU HG3 . 25994 1 995 . 1 . 1 116 116 GLU CA C 13 56.853 . . . . . . . A 116 GLU CA . 25994 1 996 . 1 . 1 116 116 GLU CB C 13 29.864 . . . . . . . A 116 GLU CB . 25994 1 997 . 1 . 1 116 116 GLU CG C 13 35.845 . . . . . . . A 116 GLU CG . 25994 1 998 . 1 . 1 116 116 GLU N N 15 118.627 . . . . . . . A 116 GLU N . 25994 1 999 . 1 . 1 117 117 HIS H H 1 8.026 . . . . . . . . 117 HIS HN . 25994 1 1000 . 1 . 1 117 117 HIS HA H 1 4.560 . . . . . . . . 117 HIS HA . 25994 1 1001 . 1 . 1 117 117 HIS HB2 H 1 3.099 . . . . . . . . 117 HIS QB . 25994 1 1002 . 1 . 1 117 117 HIS HB3 H 1 3.099 . . . . . . . . 117 HIS QB . 25994 1 1003 . 1 . 1 117 117 HIS CA C 13 55.865 . . . . . . . . 117 HIS CA . 25994 1 1004 . 1 . 1 117 117 HIS CB C 13 29.983 . . . . . . . . 117 HIS CB . 25994 1 1005 . 1 . 1 117 117 HIS N N 15 117.979 . . . . . . . . 117 HIS N . 25994 1 1006 . 1 . 1 118 118 HIS H H 1 8.185 . . . . . . . . 118 HIS HN . 25994 1 1007 . 1 . 1 118 118 HIS CA C 13 57.297 . . . . . . . . 118 HIS CA . 25994 1 1008 . 1 . 1 118 118 HIS N N 15 125.403 . . . . . . . . 118 HIS N . 25994 1 stop_ save_