data_4998 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4998 _Entry.Title ; 1H, 13C and 15N Chemical Shift Assignments for the HPV-18 E2 DNA-binding Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-04-25 _Entry.Accession_date 2001-04-25 _Entry.Last_release_date 2003-01-07 _Entry.Original_release_date 2003-01-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 Casey Zhou . . . 4998 2 Veronica Mutchler . . . 4998 3 Alistair McNab . . . 4998 4 Robert Garlick . . . 4998 5 Fred Homa . . . 4998 6 Vincent Marshall . . . 4998 7 Brian Stockman . . . 4998 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4998 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 441 4998 '13C chemical shifts' 291 4998 '15N chemical shifts' 76 4998 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-01-07 2001-04-25 original author . 4998 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4998 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N Chemical Shift Assignments for the HPV-18 E2 DNA-binding Domain ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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.Entry_ID _Citation_author.Citation_ID 1 Casey Zhou . . . 4998 1 2 Veronica Mutchler . . . 4998 1 3 Alistair McNab . . . 4998 1 4 Robert Garlick . . . 4998 1 5 Fred Homa . . . 4998 1 6 Vincent Marshall . . . 4998 1 7 Brian Stockman . . . 4998 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_E2-DBD _Assembly.Sf_category assembly _Assembly.Sf_framecode system_E2-DBD _Assembly.Entry_ID 4998 _Assembly.ID 1 _Assembly.Name 'E2 DNA-binding domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 4998 1 stop_ 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 'E2-DBD monomer 1' 1 $E2-DBD . . . native . . 1 . . 4998 1 2 'E2-DBD monomer 2' 1 $E2-DBD . . . native . . 1 . . 4998 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'E2 DNA-binding domain' system 4998 1 E2-DBD abbreviation 4998 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_E2-DBD _Entity.Sf_category entity _Entity.Sf_framecode E2-DBD _Entity.Entry_ID 4998 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'E2 DNA-binding domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGNTTPIIHLKGDRNSLKCL RYRLRKHSDHYRDISSTWHW TGAGNEKTGILTVTYHSETQ RTKFLNTVAIPDSVQILVGY MTMHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 'des-Met form is predominant' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1F9F . "Crystal Structure Of The Hpv-18 E2 Dna-Binding Domain" . . . . . 88.76 83 100.00 100.00 2.08e-50 . . . . 4998 1 2 no PDB 1JJ4 . "Human Papillomavirus Type 18 E2 Dna-Binding Domain Bound To Its Dna Target" . . . . . 88.76 83 100.00 100.00 2.08e-50 . . . . 4998 1 3 no EMBL CAA28667 . "E2 protein [Human papillomavirus type 18]" . . . . . 92.13 365 100.00 100.00 2.52e-50 . . . . 4998 1 4 no GB AAP20597 . "E2 protein [Human papillomavirus type 18]" . . . . . 92.13 365 100.00 100.00 2.13e-50 . . . . 4998 1 5 no GB ABP99707 . "E2 [Human papillomavirus type 18]" . . . . . 92.13 365 100.00 100.00 2.39e-50 . . . . 4998 1 6 no GB ABP99715 . "E2 [Human papillomavirus type 18]" . . . . . 92.13 365 100.00 100.00 2.13e-50 . . . . 4998 1 7 no GB ABP99723 . "E2 [Human papillomavirus type 18]" . . . . . 92.13 365 100.00 100.00 2.08e-50 . . . . 4998 1 8 no GB ABP99731 . "E2 [Human papillomavirus type 18]" . . . . . 92.13 365 100.00 100.00 2.13e-50 . . . . 4998 1 9 no REF NP_040313 . "E2 protein [Human papillomavirus - 18]" . . . . . 92.13 365 100.00 100.00 2.52e-50 . . . . 4998 1 10 no SP P06790 . "RecName: Full=Regulatory protein E2 [Human papillomavirus type 18]" . . . . . 92.13 365 100.00 100.00 2.06e-50 . . . . 4998 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'E2 DNA-binding domain' common 4998 1 E2-DBD abbreviation 4998 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4998 1 2 . GLY . 4998 1 3 . ASN . 4998 1 4 . THR . 4998 1 5 . THR . 4998 1 6 . PRO . 4998 1 7 . ILE . 4998 1 8 . ILE . 4998 1 9 . HIS . 4998 1 10 . LEU . 4998 1 11 . LYS . 4998 1 12 . GLY . 4998 1 13 . ASP . 4998 1 14 . ARG . 4998 1 15 . ASN . 4998 1 16 . SER . 4998 1 17 . LEU . 4998 1 18 . LYS . 4998 1 19 . CYS . 4998 1 20 . LEU . 4998 1 21 . ARG . 4998 1 22 . TYR . 4998 1 23 . ARG . 4998 1 24 . LEU . 4998 1 25 . ARG . 4998 1 26 . LYS . 4998 1 27 . HIS . 4998 1 28 . SER . 4998 1 29 . ASP . 4998 1 30 . HIS . 4998 1 31 . TYR . 4998 1 32 . ARG . 4998 1 33 . ASP . 4998 1 34 . ILE . 4998 1 35 . SER . 4998 1 36 . SER . 4998 1 37 . THR . 4998 1 38 . TRP . 4998 1 39 . HIS . 4998 1 40 . TRP . 4998 1 41 . THR . 4998 1 42 . GLY . 4998 1 43 . ALA . 4998 1 44 . GLY . 4998 1 45 . ASN . 4998 1 46 . GLU . 4998 1 47 . LYS . 4998 1 48 . THR . 4998 1 49 . GLY . 4998 1 50 . ILE . 4998 1 51 . LEU . 4998 1 52 . THR . 4998 1 53 . VAL . 4998 1 54 . THR . 4998 1 55 . TYR . 4998 1 56 . HIS . 4998 1 57 . SER . 4998 1 58 . GLU . 4998 1 59 . THR . 4998 1 60 . GLN . 4998 1 61 . ARG . 4998 1 62 . THR . 4998 1 63 . LYS . 4998 1 64 . PHE . 4998 1 65 . LEU . 4998 1 66 . ASN . 4998 1 67 . THR . 4998 1 68 . VAL . 4998 1 69 . ALA . 4998 1 70 . ILE . 4998 1 71 . PRO . 4998 1 72 . ASP . 4998 1 73 . SER . 4998 1 74 . VAL . 4998 1 75 . GLN . 4998 1 76 . ILE . 4998 1 77 . LEU . 4998 1 78 . VAL . 4998 1 79 . GLY . 4998 1 80 . TYR . 4998 1 81 . MET . 4998 1 82 . THR . 4998 1 83 . MET . 4998 1 84 . HIS . 4998 1 85 . HIS . 4998 1 86 . HIS . 4998 1 87 . HIS . 4998 1 88 . HIS . 4998 1 89 . HIS . 4998 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 4998 1 . GLY 2 2 4998 1 . ASN 3 3 4998 1 . THR 4 4 4998 1 . THR 5 5 4998 1 . PRO 6 6 4998 1 . ILE 7 7 4998 1 . ILE 8 8 4998 1 . HIS 9 9 4998 1 . LEU 10 10 4998 1 . LYS 11 11 4998 1 . GLY 12 12 4998 1 . ASP 13 13 4998 1 . ARG 14 14 4998 1 . ASN 15 15 4998 1 . SER 16 16 4998 1 . LEU 17 17 4998 1 . LYS 18 18 4998 1 . CYS 19 19 4998 1 . LEU 20 20 4998 1 . ARG 21 21 4998 1 . TYR 22 22 4998 1 . ARG 23 23 4998 1 . LEU 24 24 4998 1 . ARG 25 25 4998 1 . LYS 26 26 4998 1 . HIS 27 27 4998 1 . SER 28 28 4998 1 . ASP 29 29 4998 1 . HIS 30 30 4998 1 . TYR 31 31 4998 1 . ARG 32 32 4998 1 . ASP 33 33 4998 1 . ILE 34 34 4998 1 . SER 35 35 4998 1 . SER 36 36 4998 1 . THR 37 37 4998 1 . TRP 38 38 4998 1 . HIS 39 39 4998 1 . TRP 40 40 4998 1 . THR 41 41 4998 1 . GLY 42 42 4998 1 . ALA 43 43 4998 1 . GLY 44 44 4998 1 . ASN 45 45 4998 1 . GLU 46 46 4998 1 . LYS 47 47 4998 1 . THR 48 48 4998 1 . GLY 49 49 4998 1 . ILE 50 50 4998 1 . LEU 51 51 4998 1 . THR 52 52 4998 1 . VAL 53 53 4998 1 . THR 54 54 4998 1 . TYR 55 55 4998 1 . HIS 56 56 4998 1 . SER 57 57 4998 1 . GLU 58 58 4998 1 . THR 59 59 4998 1 . GLN 60 60 4998 1 . ARG 61 61 4998 1 . THR 62 62 4998 1 . LYS 63 63 4998 1 . PHE 64 64 4998 1 . LEU 65 65 4998 1 . ASN 66 66 4998 1 . THR 67 67 4998 1 . VAL 68 68 4998 1 . ALA 69 69 4998 1 . ILE 70 70 4998 1 . PRO 71 71 4998 1 . ASP 72 72 4998 1 . SER 73 73 4998 1 . VAL 74 74 4998 1 . GLN 75 75 4998 1 . ILE 76 76 4998 1 . LEU 77 77 4998 1 . VAL 78 78 4998 1 . GLY 79 79 4998 1 . TYR 80 80 4998 1 . MET 81 81 4998 1 . THR 82 82 4998 1 . MET 83 83 4998 1 . HIS 84 84 4998 1 . HIS 85 85 4998 1 . HIS 86 86 4998 1 . HIS 87 87 4998 1 . HIS 88 88 4998 1 . HIS 89 89 4998 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 4998 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $E2-DBD . 10566 virus . 'Papillomavirus Human papillomavirus' 'Human papillomavirus Strain 18' . . . . Papillomavirus 'Human papillomavirus' . . . . . . . . . . . . . . . . . . . . . 4998 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 4998 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $E2-DBD . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4998 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4998 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'E2 DNA-binding domain' '[U-98% 13C; U-98% 15N]' . . 1 $E2-DBD . . 0.8 . . mM . . . . 4998 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 4998 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 n/a 4998 1 temperature 300 0.1 K 4998 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4998 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4998 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 600 . . . 4998 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 4998 _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 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4998 1 2 HN(CO)CA . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4998 1 3 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4998 1 4 HBHA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4998 1 5 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4998 1 6 HCCH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4998 1 7 'H-N HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4998 1 8 'H-N NOESY-HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4998 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4998 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4998 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4998 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4998 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HBHA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4998 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4998 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4998 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 'H-N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4998 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 'H-N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4998 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TMS 'methyl proton' . . . . ppm 0.00 external direct 1.0 external_to_the_sample cylindrical parallel_to_Bo 1 $entry_citation . . 1 $entry_citation 4998 1 C 13 TMS 'methyl proton' . . . . ppm 0.00 external indirect 0.25145002 external_to_the_sample cylindrical parallel_to_Bo 1 $entry_citation . . 1 $entry_citation 4998 1 N 15 TMS 'methyl proton' . . . . ppm 0.00 external indirect 0.10132914 external_to_the_sample cylindrical parallel_to_Bo 1 $entry_citation . . 1 $entry_citation 4998 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode set_1 _Assigned_chem_shift_list.Entry_ID 4998 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4998 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 THR HA H 1 5.01 0.02 . 1 . . . . . . . . 4998 1 2 . 1 1 4 4 THR HB H 1 3.91 0.02 . 1 . . . . . . . . 4998 1 3 . 1 1 4 4 THR HG21 H 1 0.98 0.02 . 1 . . . . . . . . 4998 1 4 . 1 1 4 4 THR HG22 H 1 0.98 0.02 . 1 . . . . . . . . 4998 1 5 . 1 1 4 4 THR HG23 H 1 0.98 0.02 . 1 . . . . . . . . 4998 1 6 . 1 1 4 4 THR CA C 13 59.95 0.1 . 1 . . . . . . . . 4998 1 7 . 1 1 4 4 THR CB C 13 67.75 0.1 . 1 . . . . . . . . 4998 1 8 . 1 1 4 4 THR CG2 C 13 19.93 0.1 . 1 . . . . . . . . 4998 1 9 . 1 1 5 5 THR H H 1 9.18 0.02 . 1 . . . . . . . . 4998 1 10 . 1 1 5 5 THR C C 13 171.68 0.1 . 1 . . . . . . . . 4998 1 11 . 1 1 5 5 THR CA C 13 57.48 0.1 . 1 . . . . . . . . 4998 1 12 . 1 1 5 5 THR N N 15 124.16 0.1 . 1 . . . . . . . . 4998 1 13 . 1 1 6 6 PRO HA H 1 4.73 0.02 . 1 . . . . . . . . 4998 1 14 . 1 1 6 6 PRO CA C 13 60.10 0.1 . 1 . . . . . . . . 4998 1 15 . 1 1 6 6 PRO CB C 13 29.24 0.1 . 1 . . . . . . . . 4998 1 16 . 1 1 7 7 ILE H H 1 8.49 0.02 . 1 . . . . . . . . 4998 1 17 . 1 1 7 7 ILE HA H 1 5.85 0.02 . 1 . . . . . . . . 4998 1 18 . 1 1 7 7 ILE HB H 1 1.82 0.02 . 1 . . . . . . . . 4998 1 19 . 1 1 7 7 ILE HG21 H 1 0.92 0.02 . 1 . . . . . . . . 4998 1 20 . 1 1 7 7 ILE HG22 H 1 0.92 0.02 . 1 . . . . . . . . 4998 1 21 . 1 1 7 7 ILE HG23 H 1 0.92 0.02 . 1 . . . . . . . . 4998 1 22 . 1 1 7 7 ILE HD11 H 1 0.49 0.02 . 1 . . . . . . . . 4998 1 23 . 1 1 7 7 ILE HD12 H 1 0.49 0.02 . 1 . . . . . . . . 4998 1 24 . 1 1 7 7 ILE HD13 H 1 0.49 0.02 . 1 . . . . . . . . 4998 1 25 . 1 1 7 7 ILE C C 13 173.65 0.1 . 1 . . . . . . . . 4998 1 26 . 1 1 7 7 ILE CA C 13 57.29 0.1 . 1 . . . . . . . . 4998 1 27 . 1 1 7 7 ILE CB C 13 42.10 0.1 . 1 . . . . . . . . 4998 1 28 . 1 1 7 7 ILE CG2 C 13 16.79 0.1 . 1 . . . . . . . . 4998 1 29 . 1 1 7 7 ILE CD1 C 13 12.90 0.1 . 1 . . . . . . . . 4998 1 30 . 1 1 7 7 ILE N N 15 115.39 0.1 . 1 . . . . . . . . 4998 1 31 . 1 1 8 8 ILE H H 1 8.90 0.02 . 1 . . . . . . . . 4998 1 32 . 1 1 8 8 ILE HA H 1 5.01 0.02 . 1 . . . . . . . . 4998 1 33 . 1 1 8 8 ILE HB H 1 1.88 0.02 . 1 . . . . . . . . 4998 1 34 . 1 1 8 8 ILE HG21 H 1 0.82 0.02 . 1 . . . . . . . . 4998 1 35 . 1 1 8 8 ILE HG22 H 1 0.82 0.02 . 1 . . . . . . . . 4998 1 36 . 1 1 8 8 ILE HG23 H 1 0.82 0.02 . 1 . . . . . . . . 4998 1 37 . 1 1 8 8 ILE C C 13 174.83 0.1 . 1 . . . . . . . . 4998 1 38 . 1 1 8 8 ILE CA C 13 58.93 0.1 . 1 . . . . . . . . 4998 1 39 . 1 1 8 8 ILE CB C 13 39.92 0.1 . 1 . . . . . . . . 4998 1 40 . 1 1 8 8 ILE CG2 C 13 15.73 0.1 . 1 . . . . . . . . 4998 1 41 . 1 1 8 8 ILE N N 15 115.93 0.1 . 1 . . . . . . . . 4998 1 42 . 1 1 9 9 HIS H H 1 8.91 0.02 . 1 . . . . . . . . 4998 1 43 . 1 1 9 9 HIS HA H 1 5.68 0.02 . 1 . . . . . . . . 4998 1 44 . 1 1 9 9 HIS HB2 H 1 2.81 0.02 . 2 . . . . . . . . 4998 1 45 . 1 1 9 9 HIS HB3 H 1 2.57 0.02 . 2 . . . . . . . . 4998 1 46 . 1 1 9 9 HIS C C 13 173.19 0.1 . 1 . . . . . . . . 4998 1 47 . 1 1 9 9 HIS CA C 13 51.27 0.1 . 1 . . . . . . . . 4998 1 48 . 1 1 9 9 HIS CB C 13 32.38 0.1 . 1 . . . . . . . . 4998 1 49 . 1 1 9 9 HIS N N 15 119.91 0.1 . 1 . . . . . . . . 4998 1 50 . 1 1 10 10 LEU H H 1 8.98 0.02 . 1 . . . . . . . . 4998 1 51 . 1 1 10 10 LEU HA H 1 5.17 0.02 . 1 . . . . . . . . 4998 1 52 . 1 1 10 10 LEU HB2 H 1 1.66 0.02 . 2 . . . . . . . . 4998 1 53 . 1 1 10 10 LEU HB3 H 1 0.92 0.02 . 2 . . . . . . . . 4998 1 54 . 1 1 10 10 LEU HG H 1 1.47 0.02 . 1 . . . . . . . . 4998 1 55 . 1 1 10 10 LEU HD11 H 1 0.82 0.02 . 2 . . . . . . . . 4998 1 56 . 1 1 10 10 LEU HD12 H 1 0.82 0.02 . 2 . . . . . . . . 4998 1 57 . 1 1 10 10 LEU HD13 H 1 0.82 0.02 . 2 . . . . . . . . 4998 1 58 . 1 1 10 10 LEU HD21 H 1 0.71 0.02 . 2 . . . . . . . . 4998 1 59 . 1 1 10 10 LEU HD22 H 1 0.71 0.02 . 2 . . . . . . . . 4998 1 60 . 1 1 10 10 LEU HD23 H 1 0.71 0.02 . 2 . . . . . . . . 4998 1 61 . 1 1 10 10 LEU C C 13 172.40 0.1 . 1 . . . . . . . . 4998 1 62 . 1 1 10 10 LEU CA C 13 50.25 0.1 . 1 . . . . . . . . 4998 1 63 . 1 1 10 10 LEU CB C 13 40.76 0.1 . 1 . . . . . . . . 4998 1 64 . 1 1 10 10 LEU CG C 13 23.68 0.1 . 1 . . . . . . . . 4998 1 65 . 1 1 10 10 LEU N N 15 122.16 0.1 . 1 . . . . . . . . 4998 1 66 . 1 1 11 11 LYS H H 1 8.76 0.02 . 1 . . . . . . . . 4998 1 67 . 1 1 11 11 LYS HA H 1 5.29 0.02 . 1 . . . . . . . . 4998 1 68 . 1 1 11 11 LYS HB2 H 1 1.65 0.02 . 2 . . . . . . . . 4998 1 69 . 1 1 11 11 LYS HB3 H 1 1.44 0.02 . 2 . . . . . . . . 4998 1 70 . 1 1 11 11 LYS HG2 H 1 1.40 0.02 . 2 . . . . . . . . 4998 1 71 . 1 1 11 11 LYS HG3 H 1 1.21 0.02 . 2 . . . . . . . . 4998 1 72 . 1 1 11 11 LYS HD2 H 1 1.62 0.02 . 1 . . . . . . . . 4998 1 73 . 1 1 11 11 LYS HD3 H 1 1.62 0.02 . 1 . . . . . . . . 4998 1 74 . 1 1 11 11 LYS HE2 H 1 2.70 0.02 . 1 . . . . . . . . 4998 1 75 . 1 1 11 11 LYS HE3 H 1 2.70 0.02 . 1 . . . . . . . . 4998 1 76 . 1 1 11 11 LYS C C 13 172.59 0.1 . 1 . . . . . . . . 4998 1 77 . 1 1 11 11 LYS CA C 13 51.76 0.1 . 1 . . . . . . . . 4998 1 78 . 1 1 11 11 LYS CB C 13 33.58 0.1 . 1 . . . . . . . . 4998 1 79 . 1 1 11 11 LYS CG C 13 22.68 0.1 . 1 . . . . . . . . 4998 1 80 . 1 1 11 11 LYS CD C 13 27.38 0.1 . 1 . . . . . . . . 4998 1 81 . 1 1 11 11 LYS CE C 13 39.54 0.1 . 1 . . . . . . . . 4998 1 82 . 1 1 11 11 LYS N N 15 120.73 0.1 . 1 . . . . . . . . 4998 1 83 . 1 1 12 12 GLY H H 1 8.30 0.02 . 1 . . . . . . . . 4998 1 84 . 1 1 12 12 GLY HA2 H 1 4.43 0.02 . 2 . . . . . . . . 4998 1 85 . 1 1 12 12 GLY HA3 H 1 4.19 0.02 . 2 . . . . . . . . 4998 1 86 . 1 1 12 12 GLY C C 13 173.46 0.1 . 1 . . . . . . . . 4998 1 87 . 1 1 12 12 GLY CA C 13 42.96 0.1 . 1 . . . . . . . . 4998 1 88 . 1 1 12 12 GLY N N 15 109.97 0.1 . 1 . . . . . . . . 4998 1 89 . 1 1 13 13 ASP H H 1 8.50 0.02 . 1 . . . . . . . . 4998 1 90 . 1 1 13 13 ASP HA H 1 4.59 0.02 . 1 . . . . . . . . 4998 1 91 . 1 1 13 13 ASP HB2 H 1 2.77 0.02 . 2 . . . . . . . . 4998 1 92 . 1 1 13 13 ASP HB3 H 1 2.61 0.02 . 2 . . . . . . . . 4998 1 93 . 1 1 13 13 ASP C C 13 168.61 0.1 . 1 . . . . . . . . 4998 1 94 . 1 1 13 13 ASP CA C 13 52.23 0.1 . 1 . . . . . . . . 4998 1 95 . 1 1 13 13 ASP CB C 13 40.03 0.1 . 1 . . . . . . . . 4998 1 96 . 1 1 13 13 ASP N N 15 120.16 0.1 . 1 . . . . . . . . 4998 1 97 . 1 1 14 14 ARG H H 1 8.61 0.02 . 1 . . . . . . . . 4998 1 98 . 1 1 14 14 ARG HA H 1 3.58 0.02 . 1 . . . . . . . . 4998 1 99 . 1 1 14 14 ARG HB2 H 1 1.72 0.02 . 2 . . . . . . . . 4998 1 100 . 1 1 14 14 ARG HB3 H 1 1.68 0.02 . 2 . . . . . . . . 4998 1 101 . 1 1 14 14 ARG HG2 H 1 1.47 0.02 . 1 . . . . . . . . 4998 1 102 . 1 1 14 14 ARG HG3 H 1 1.47 0.02 . 1 . . . . . . . . 4998 1 103 . 1 1 14 14 ARG HD2 H 1 3.07 0.02 . 2 . . . . . . . . 4998 1 104 . 1 1 14 14 ARG HD3 H 1 3.02 0.02 . 2 . . . . . . . . 4998 1 105 . 1 1 14 14 ARG C C 13 174.68 0.1 . 1 . . . . . . . . 4998 1 106 . 1 1 14 14 ARG CA C 13 58.64 0.1 . 1 . . . . . . . . 4998 1 107 . 1 1 14 14 ARG CB C 13 27.87 0.1 . 1 . . . . . . . . 4998 1 108 . 1 1 14 14 ARG CG C 13 26.01 0.1 . 1 . . . . . . . . 4998 1 109 . 1 1 14 14 ARG CD C 13 40.85 0.1 . 1 . . . . . . . . 4998 1 110 . 1 1 14 14 ARG N N 15 122.34 0.1 . 1 . . . . . . . . 4998 1 111 . 1 1 15 15 ASN H H 1 8.64 0.02 . 1 . . . . . . . . 4998 1 112 . 1 1 15 15 ASN HA H 1 4.46 0.02 . 1 . . . . . . . . 4998 1 113 . 1 1 15 15 ASN HB2 H 1 2.87 0.02 . 2 . . . . . . . . 4998 1 114 . 1 1 15 15 ASN HB3 H 1 2.76 0.02 . 2 . . . . . . . . 4998 1 115 . 1 1 15 15 ASN C C 13 176.39 0.1 . 1 . . . . . . . . 4998 1 116 . 1 1 15 15 ASN CA C 13 54.42 0.1 . 1 . . . . . . . . 4998 1 117 . 1 1 15 15 ASN CB C 13 35.59 0.1 . 1 . . . . . . . . 4998 1 118 . 1 1 15 15 ASN N N 15 118.46 0.1 . 1 . . . . . . . . 4998 1 119 . 1 1 16 16 SER H H 1 8.35 0.02 . 1 . . . . . . . . 4998 1 120 . 1 1 16 16 SER HA H 1 3.86 0.02 . 1 . . . . . . . . 4998 1 121 . 1 1 16 16 SER HB2 H 1 4.17 0.02 . 2 . . . . . . . . 4998 1 122 . 1 1 16 16 SER HB3 H 1 3.63 0.02 . 2 . . . . . . . . 4998 1 123 . 1 1 16 16 SER C C 13 175.96 0.1 . 1 . . . . . . . . 4998 1 124 . 1 1 16 16 SER CA C 13 59.80 0.1 . 1 . . . . . . . . 4998 1 125 . 1 1 16 16 SER CB C 13 59.96 0.1 . 1 . . . . . . . . 4998 1 126 . 1 1 16 16 SER N N 15 118.74 0.1 . 1 . . . . . . . . 4998 1 127 . 1 1 17 17 LEU H H 1 8.10 0.02 . 1 . . . . . . . . 4998 1 128 . 1 1 17 17 LEU HA H 1 3.84 0.02 . 1 . . . . . . . . 4998 1 129 . 1 1 17 17 LEU HB2 H 1 1.64 0.02 . 2 . . . . . . . . 4998 1 130 . 1 1 17 17 LEU HB3 H 1 1.17 0.02 . 2 . . . . . . . . 4998 1 131 . 1 1 17 17 LEU HD11 H 1 0.45 0.02 . 2 . . . . . . . . 4998 1 132 . 1 1 17 17 LEU HD12 H 1 0.45 0.02 . 2 . . . . . . . . 4998 1 133 . 1 1 17 17 LEU HD13 H 1 0.45 0.02 . 2 . . . . . . . . 4998 1 134 . 1 1 17 17 LEU HD21 H 1 0.38 0.02 . 2 . . . . . . . . 4998 1 135 . 1 1 17 17 LEU HD22 H 1 0.38 0.02 . 2 . . . . . . . . 4998 1 136 . 1 1 17 17 LEU HD23 H 1 0.38 0.02 . 2 . . . . . . . . 4998 1 137 . 1 1 17 17 LEU C C 13 175.25 0.1 . 1 . . . . . . . . 4998 1 138 . 1 1 17 17 LEU CA C 13 55.37 0.1 . 1 . . . . . . . . 4998 1 139 . 1 1 17 17 LEU CB C 13 38.75 0.1 . 1 . . . . . . . . 4998 1 140 . 1 1 17 17 LEU CD1 C 13 23.04 0.1 . 1 . . . . . . . . 4998 1 141 . 1 1 17 17 LEU CD2 C 13 19.79 0.1 . 1 . . . . . . . . 4998 1 142 . 1 1 17 17 LEU N N 15 121.15 0.1 . 1 . . . . . . . . 4998 1 143 . 1 1 18 18 LYS H H 1 7.83 0.02 . 1 . . . . . . . . 4998 1 144 . 1 1 18 18 LYS HA H 1 3.91 0.02 . 1 . . . . . . . . 4998 1 145 . 1 1 18 18 LYS HB2 H 1 1.97 0.02 . 1 . . . . . . . . 4998 1 146 . 1 1 18 18 LYS HB3 H 1 1.97 0.02 . 1 . . . . . . . . 4998 1 147 . 1 1 18 18 LYS HG2 H 1 1.39 0.02 . 2 . . . . . . . . 4998 1 148 . 1 1 18 18 LYS HG3 H 1 1.27 0.02 . 2 . . . . . . . . 4998 1 149 . 1 1 18 18 LYS HD2 H 1 1.70 0.02 . 2 . . . . . . . . 4998 1 150 . 1 1 18 18 LYS HD3 H 1 1.60 0.02 . 2 . . . . . . . . 4998 1 151 . 1 1 18 18 LYS HE2 H 1 2.95 0.02 . 1 . . . . . . . . 4998 1 152 . 1 1 18 18 LYS HE3 H 1 2.95 0.02 . 1 . . . . . . . . 4998 1 153 . 1 1 18 18 LYS C C 13 175.74 0.1 . 1 . . . . . . . . 4998 1 154 . 1 1 18 18 LYS CA C 13 57.85 0.1 . 1 . . . . . . . . 4998 1 155 . 1 1 18 18 LYS CB C 13 29.95 0.1 . 1 . . . . . . . . 4998 1 156 . 1 1 18 18 LYS CD C 13 27.55 0.1 . 1 . . . . . . . . 4998 1 157 . 1 1 18 18 LYS CE C 13 39.77 0.1 . 1 . . . . . . . . 4998 1 158 . 1 1 18 18 LYS N N 15 120.70 0.1 . 1 . . . . . . . . 4998 1 159 . 1 1 19 19 CYS H H 1 7.59 0.02 . 1 . . . . . . . . 4998 1 160 . 1 1 19 19 CYS HA H 1 4.20 0.02 . 1 . . . . . . . . 4998 1 161 . 1 1 19 19 CYS HB2 H 1 3.02 0.02 . 2 . . . . . . . . 4998 1 162 . 1 1 19 19 CYS HB3 H 1 2.95 0.02 . 2 . . . . . . . . 4998 1 163 . 1 1 19 19 CYS C C 13 177.01 0.1 . 1 . . . . . . . . 4998 1 164 . 1 1 19 19 CYS CA C 13 60.14 0.1 . 1 . . . . . . . . 4998 1 165 . 1 1 19 19 CYS CB C 13 24.32 0.1 . 1 . . . . . . . . 4998 1 166 . 1 1 19 19 CYS N N 15 116.91 0.1 . 1 . . . . . . . . 4998 1 167 . 1 1 20 20 LEU H H 1 8.03 0.02 . 1 . . . . . . . . 4998 1 168 . 1 1 20 20 LEU HA H 1 4.09 0.02 . 1 . . . . . . . . 4998 1 169 . 1 1 20 20 LEU HB2 H 1 1.80 0.02 . 2 . . . . . . . . 4998 1 170 . 1 1 20 20 LEU HB3 H 1 1.54 0.02 . 2 . . . . . . . . 4998 1 171 . 1 1 20 20 LEU HD11 H 1 0.90 0.02 . 2 . . . . . . . . 4998 1 172 . 1 1 20 20 LEU HD12 H 1 0.90 0.02 . 2 . . . . . . . . 4998 1 173 . 1 1 20 20 LEU HD13 H 1 0.90 0.02 . 2 . . . . . . . . 4998 1 174 . 1 1 20 20 LEU HD21 H 1 0.82 0.02 . 2 . . . . . . . . 4998 1 175 . 1 1 20 20 LEU HD22 H 1 0.82 0.02 . 2 . . . . . . . . 4998 1 176 . 1 1 20 20 LEU HD23 H 1 0.82 0.02 . 2 . . . . . . . . 4998 1 177 . 1 1 20 20 LEU C C 13 175.16 0.1 . 1 . . . . . . . . 4998 1 178 . 1 1 20 20 LEU CA C 13 55.39 0.1 . 1 . . . . . . . . 4998 1 179 . 1 1 20 20 LEU CB C 13 39.82 0.1 . 1 . . . . . . . . 4998 1 180 . 1 1 20 20 LEU CD1 C 13 21.58 0.1 . 1 . . . . . . . . 4998 1 181 . 1 1 20 20 LEU CD2 C 13 25.17 0.1 . 1 . . . . . . . . 4998 1 182 . 1 1 20 20 LEU N N 15 121.40 0.1 . 1 . . . . . . . . 4998 1 183 . 1 1 21 21 ARG H H 1 8.58 0.02 . 1 . . . . . . . . 4998 1 184 . 1 1 21 21 ARG HA H 1 3.61 0.02 . 1 . . . . . . . . 4998 1 185 . 1 1 21 21 ARG HB2 H 1 1.95 0.02 . 2 . . . . . . . . 4998 1 186 . 1 1 21 21 ARG C C 13 175.45 0.1 . 1 . . . . . . . . 4998 1 187 . 1 1 21 21 ARG CA C 13 58.16 0.1 . 1 . . . . . . . . 4998 1 188 . 1 1 21 21 ARG CB C 13 27.32 0.1 . 1 . . . . . . . . 4998 1 189 . 1 1 21 21 ARG N N 15 118.96 0.1 . 1 . . . . . . . . 4998 1 190 . 1 1 22 22 TYR H H 1 7.43 0.02 . 1 . . . . . . . . 4998 1 191 . 1 1 22 22 TYR HA H 1 3.91 0.02 . 1 . . . . . . . . 4998 1 192 . 1 1 22 22 TYR C C 13 175.54 0.1 . 1 . . . . . . . . 4998 1 193 . 1 1 22 22 TYR CA C 13 59.04 0.1 . 1 . . . . . . . . 4998 1 194 . 1 1 22 22 TYR CB C 13 35.58 0.1 . 1 . . . . . . . . 4998 1 195 . 1 1 22 22 TYR N N 15 116.61 0.1 . 1 . . . . . . . . 4998 1 196 . 1 1 23 23 ARG H H 1 7.88 0.02 . 1 . . . . . . . . 4998 1 197 . 1 1 23 23 ARG HA H 1 4.04 0.02 . 1 . . . . . . . . 4998 1 198 . 1 1 23 23 ARG HB2 H 1 2.04 0.02 . 1 . . . . . . . . 4998 1 199 . 1 1 23 23 ARG HB3 H 1 2.04 0.02 . 1 . . . . . . . . 4998 1 200 . 1 1 23 23 ARG HG2 H 1 1.70 0.02 . 1 . . . . . . . . 4998 1 201 . 1 1 23 23 ARG HG3 H 1 1.70 0.02 . 1 . . . . . . . . 4998 1 202 . 1 1 23 23 ARG HD2 H 1 3.26 0.02 . 1 . . . . . . . . 4998 1 203 . 1 1 23 23 ARG HD3 H 1 3.26 0.02 . 1 . . . . . . . . 4998 1 204 . 1 1 23 23 ARG C C 13 176.67 0.1 . 1 . . . . . . . . 4998 1 205 . 1 1 23 23 ARG CA C 13 57.11 0.1 . 1 . . . . . . . . 4998 1 206 . 1 1 23 23 ARG CB C 13 28.01 0.1 . 1 . . . . . . . . 4998 1 207 . 1 1 23 23 ARG CG C 13 25.77 0.1 . 1 . . . . . . . . 4998 1 208 . 1 1 23 23 ARG CD C 13 41.55 0.1 . 1 . . . . . . . . 4998 1 209 . 1 1 23 23 ARG N N 15 119.89 0.1 . 1 . . . . . . . . 4998 1 210 . 1 1 24 24 LEU H H 1 8.59 0.02 . 1 . . . . . . . . 4998 1 211 . 1 1 24 24 LEU HA H 1 4.18 0.02 . 1 . . . . . . . . 4998 1 212 . 1 1 24 24 LEU HB2 H 1 1.89 0.02 . 2 . . . . . . . . 4998 1 213 . 1 1 24 24 LEU HB3 H 1 1.46 0.02 . 2 . . . . . . . . 4998 1 214 . 1 1 24 24 LEU HD11 H 1 0.80 0.02 . 2 . . . . . . . . 4998 1 215 . 1 1 24 24 LEU HD12 H 1 0.80 0.02 . 2 . . . . . . . . 4998 1 216 . 1 1 24 24 LEU HD13 H 1 0.80 0.02 . 2 . . . . . . . . 4998 1 217 . 1 1 24 24 LEU HD21 H 1 0.60 0.02 . 2 . . . . . . . . 4998 1 218 . 1 1 24 24 LEU HD22 H 1 0.60 0.02 . 2 . . . . . . . . 4998 1 219 . 1 1 24 24 LEU HD23 H 1 0.60 0.02 . 2 . . . . . . . . 4998 1 220 . 1 1 24 24 LEU C C 13 177.05 0.1 . 1 . . . . . . . . 4998 1 221 . 1 1 24 24 LEU CA C 13 55.00 0.1 . 1 . . . . . . . . 4998 1 222 . 1 1 24 24 LEU CB C 13 38.81 0.1 . 1 . . . . . . . . 4998 1 223 . 1 1 24 24 LEU CD1 C 13 21.32 0.1 . 1 . . . . . . . . 4998 1 224 . 1 1 24 24 LEU CD2 C 13 22.99 0.1 . 1 . . . . . . . . 4998 1 225 . 1 1 24 24 LEU N N 15 117.28 0.1 . 1 . . . . . . . . 4998 1 226 . 1 1 25 25 ARG H H 1 7.75 0.02 . 1 . . . . . . . . 4998 1 227 . 1 1 25 25 ARG HA H 1 4.26 0.02 . 1 . . . . . . . . 4998 1 228 . 1 1 25 25 ARG HB2 H 1 1.91 0.02 . 1 . . . . . . . . 4998 1 229 . 1 1 25 25 ARG HB3 H 1 1.91 0.02 . 1 . . . . . . . . 4998 1 230 . 1 1 25 25 ARG HG2 H 1 1.82 0.02 . 1 . . . . . . . . 4998 1 231 . 1 1 25 25 ARG HG3 H 1 1.82 0.02 . 1 . . . . . . . . 4998 1 232 . 1 1 25 25 ARG HD2 H 1 3.11 0.02 . 1 . . . . . . . . 4998 1 233 . 1 1 25 25 ARG HD3 H 1 3.11 0.02 . 1 . . . . . . . . 4998 1 234 . 1 1 25 25 ARG C C 13 177.46 0.1 . 1 . . . . . . . . 4998 1 235 . 1 1 25 25 ARG CA C 13 56.71 0.1 . 1 . . . . . . . . 4998 1 236 . 1 1 25 25 ARG CB C 13 27.46 0.1 . 1 . . . . . . . . 4998 1 237 . 1 1 25 25 ARG CG C 13 25.14 0.1 . 1 . . . . . . . . 4998 1 238 . 1 1 25 25 ARG CD C 13 41.30 0.1 . 1 . . . . . . . . 4998 1 239 . 1 1 25 25 ARG N N 15 120.30 0.1 . 1 . . . . . . . . 4998 1 240 . 1 1 26 26 LYS H H 1 7.28 0.02 . 1 . . . . . . . . 4998 1 241 . 1 1 26 26 LYS HA H 1 4.17 0.02 . 1 . . . . . . . . 4998 1 242 . 1 1 26 26 LYS HB2 H 1 1.60 0.02 . 1 . . . . . . . . 4998 1 243 . 1 1 26 26 LYS HB3 H 1 1.60 0.02 . 1 . . . . . . . . 4998 1 244 . 1 1 26 26 LYS HG2 H 1 1.22 0.02 . 1 . . . . . . . . 4998 1 245 . 1 1 26 26 LYS HG3 H 1 1.22 0.02 . 1 . . . . . . . . 4998 1 246 . 1 1 26 26 LYS HD2 H 1 1.57 0.02 . 1 . . . . . . . . 4998 1 247 . 1 1 26 26 LYS HD3 H 1 1.57 0.02 . 1 . . . . . . . . 4998 1 248 . 1 1 26 26 LYS HE2 H 1 2.86 0.02 . 2 . . . . . . . . 4998 1 249 . 1 1 26 26 LYS HE3 H 1 2.88 0.02 . 2 . . . . . . . . 4998 1 250 . 1 1 26 26 LYS C C 13 175.55 0.1 . 1 . . . . . . . . 4998 1 251 . 1 1 26 26 LYS CA C 13 54.84 0.1 . 1 . . . . . . . . 4998 1 252 . 1 1 26 26 LYS CB C 13 29.70 0.1 . 1 . . . . . . . . 4998 1 253 . 1 1 26 26 LYS CG C 13 22.19 0.1 . 1 . . . . . . . . 4998 1 254 . 1 1 26 26 LYS CD C 13 26.73 0.1 . 1 . . . . . . . . 4998 1 255 . 1 1 26 26 LYS CE C 13 39.22 0.1 . 1 . . . . . . . . 4998 1 256 . 1 1 26 26 LYS N N 15 115.77 0.1 . 1 . . . . . . . . 4998 1 257 . 1 1 27 27 HIS H H 1 7.82 0.02 . 1 . . . . . . . . 4998 1 258 . 1 1 27 27 HIS HA H 1 5.01 0.02 . 1 . . . . . . . . 4998 1 259 . 1 1 27 27 HIS HB2 H 1 3.40 0.02 . 2 . . . . . . . . 4998 1 260 . 1 1 27 27 HIS HB3 H 1 2.87 0.02 . 2 . . . . . . . . 4998 1 261 . 1 1 27 27 HIS C C 13 174.21 0.1 . 1 . . . . . . . . 4998 1 262 . 1 1 27 27 HIS CA C 13 52.56 0.1 . 1 . . . . . . . . 4998 1 263 . 1 1 27 27 HIS CB C 13 27.78 0.1 . 1 . . . . . . . . 4998 1 264 . 1 1 27 27 HIS N N 15 118.14 0.1 . 1 . . . . . . . . 4998 1 265 . 1 1 28 28 SER H H 1 7.50 0.02 . 1 . . . . . . . . 4998 1 266 . 1 1 28 28 SER HA H 1 3.46 0.02 . 1 . . . . . . . . 4998 1 267 . 1 1 28 28 SER HB2 H 1 3.80 0.02 . 1 . . . . . . . . 4998 1 268 . 1 1 28 28 SER HB3 H 1 3.80 0.02 . 1 . . . . . . . . 4998 1 269 . 1 1 28 28 SER C C 13 173.31 0.1 . 1 . . . . . . . . 4998 1 270 . 1 1 28 28 SER CA C 13 58.63 0.1 . 1 . . . . . . . . 4998 1 271 . 1 1 28 28 SER CB C 13 60.65 0.1 . 1 . . . . . . . . 4998 1 272 . 1 1 28 28 SER N N 15 114.42 0.1 . 1 . . . . . . . . 4998 1 273 . 1 1 29 29 ASP H H 1 8.46 0.02 . 1 . . . . . . . . 4998 1 274 . 1 1 29 29 ASP HA H 1 4.42 0.02 . 1 . . . . . . . . 4998 1 275 . 1 1 29 29 ASP HB2 H 1 2.43 0.02 . 2 . . . . . . . . 4998 1 276 . 1 1 29 29 ASP HB3 H 1 2.21 0.02 . 2 . . . . . . . . 4998 1 277 . 1 1 29 29 ASP C C 13 171.83 0.1 . 1 . . . . . . . . 4998 1 278 . 1 1 29 29 ASP CA C 13 52.93 0.1 . 1 . . . . . . . . 4998 1 279 . 1 1 29 29 ASP CB C 13 37.38 0.1 . 1 . . . . . . . . 4998 1 280 . 1 1 29 29 ASP N N 15 118.29 0.1 . 1 . . . . . . . . 4998 1 281 . 1 1 30 30 HIS H H 1 8.31 0.02 . 1 . . . . . . . . 4998 1 282 . 1 1 30 30 HIS HA H 1 4.90 0.02 . 1 . . . . . . . . 4998 1 283 . 1 1 30 30 HIS HB2 H 1 3.75 0.02 . 2 . . . . . . . . 4998 1 284 . 1 1 30 30 HIS HB3 H 1 3.33 0.02 . 2 . . . . . . . . 4998 1 285 . 1 1 30 30 HIS C C 13 175.04 0.1 . 1 . . . . . . . . 4998 1 286 . 1 1 30 30 HIS CA C 13 53.95 0.1 . 1 . . . . . . . . 4998 1 287 . 1 1 30 30 HIS CB C 13 29.17 0.1 . 1 . . . . . . . . 4998 1 288 . 1 1 30 30 HIS N N 15 116.46 0.1 . 1 . . . . . . . . 4998 1 289 . 1 1 31 31 TYR H H 1 7.05 0.02 . 1 . . . . . . . . 4998 1 290 . 1 1 31 31 TYR HA H 1 4.57 0.02 . 1 . . . . . . . . 4998 1 291 . 1 1 31 31 TYR HB2 H 1 2.58 0.02 . 1 . . . . . . . . 4998 1 292 . 1 1 31 31 TYR HB3 H 1 2.58 0.02 . 1 . . . . . . . . 4998 1 293 . 1 1 31 31 TYR C C 13 170.71 0.1 . 1 . . . . . . . . 4998 1 294 . 1 1 31 31 TYR CA C 13 54.00 0.1 . 1 . . . . . . . . 4998 1 295 . 1 1 31 31 TYR CB C 13 37.51 0.1 . 1 . . . . . . . . 4998 1 296 . 1 1 31 31 TYR N N 15 112.10 0.1 . 1 . . . . . . . . 4998 1 297 . 1 1 32 32 ARG H H 1 8.78 0.02 . 1 . . . . . . . . 4998 1 298 . 1 1 32 32 ARG HA H 1 4.24 0.02 . 1 . . . . . . . . 4998 1 299 . 1 1 32 32 ARG HB2 H 1 1.90 0.02 . 1 . . . . . . . . 4998 1 300 . 1 1 32 32 ARG HB3 H 1 1.90 0.02 . 1 . . . . . . . . 4998 1 301 . 1 1 32 32 ARG HG2 H 1 0.50 0.02 . 1 . . . . . . . . 4998 1 302 . 1 1 32 32 ARG HG3 H 1 0.50 0.02 . 1 . . . . . . . . 4998 1 303 . 1 1 32 32 ARG HD2 H 1 2.44 0.02 . 2 . . . . . . . . 4998 1 304 . 1 1 32 32 ARG HD3 H 1 2.25 0.02 . 2 . . . . . . . . 4998 1 305 . 1 1 32 32 ARG C C 13 170.17 0.1 . 1 . . . . . . . . 4998 1 306 . 1 1 32 32 ARG CA C 13 55.16 0.1 . 1 . . . . . . . . 4998 1 307 . 1 1 32 32 ARG CB C 13 27.64 0.1 . 1 . . . . . . . . 4998 1 308 . 1 1 32 32 ARG CG C 13 28.32 0.1 . 1 . . . . . . . . 4998 1 309 . 1 1 32 32 ARG CD C 13 41.50 0.1 . 1 . . . . . . . . 4998 1 310 . 1 1 32 32 ARG N N 15 119.90 0.1 . 1 . . . . . . . . 4998 1 311 . 1 1 33 33 ASP H H 1 7.55 0.02 . 1 . . . . . . . . 4998 1 312 . 1 1 33 33 ASP HA H 1 4.91 0.02 . 1 . . . . . . . . 4998 1 313 . 1 1 33 33 ASP HB2 H 1 2.12 0.02 . 2 . . . . . . . . 4998 1 314 . 1 1 33 33 ASP HB3 H 1 1.75 0.02 . 2 . . . . . . . . 4998 1 315 . 1 1 33 33 ASP C C 13 171.83 0.1 . 1 . . . . . . . . 4998 1 316 . 1 1 33 33 ASP CA C 13 49.82 0.1 . 1 . . . . . . . . 4998 1 317 . 1 1 33 33 ASP CB C 13 42.75 0.1 . 1 . . . . . . . . 4998 1 318 . 1 1 33 33 ASP N N 15 118.71 0.1 . 1 . . . . . . . . 4998 1 319 . 1 1 34 34 ILE H H 1 9.72 0.02 . 1 . . . . . . . . 4998 1 320 . 1 1 34 34 ILE HA H 1 5.41 0.02 . 1 . . . . . . . . 4998 1 321 . 1 1 34 34 ILE HB H 1 1.31 0.02 . 1 . . . . . . . . 4998 1 322 . 1 1 34 34 ILE HG21 H 1 0.91 0.02 . 1 . . . . . . . . 4998 1 323 . 1 1 34 34 ILE HG22 H 1 0.91 0.02 . 1 . . . . . . . . 4998 1 324 . 1 1 34 34 ILE HG23 H 1 0.91 0.02 . 1 . . . . . . . . 4998 1 325 . 1 1 34 34 ILE HD11 H 1 0.45 0.02 . 1 . . . . . . . . 4998 1 326 . 1 1 34 34 ILE HD12 H 1 0.45 0.02 . 1 . . . . . . . . 4998 1 327 . 1 1 34 34 ILE HD13 H 1 0.45 0.02 . 1 . . . . . . . . 4998 1 328 . 1 1 34 34 ILE C C 13 170.37 0.1 . 1 . . . . . . . . 4998 1 329 . 1 1 34 34 ILE CA C 13 57.10 0.1 . 1 . . . . . . . . 4998 1 330 . 1 1 34 34 ILE CB C 13 39.64 0.1 . 1 . . . . . . . . 4998 1 331 . 1 1 34 34 ILE CG2 C 13 17.26 0.1 . 1 . . . . . . . . 4998 1 332 . 1 1 34 34 ILE N N 15 116.54 0.1 . 1 . . . . . . . . 4998 1 333 . 1 1 35 35 SER H H 1 9.53 0.02 . 1 . . . . . . . . 4998 1 334 . 1 1 35 35 SER HA H 1 5.10 0.02 . 1 . . . . . . . . 4998 1 335 . 1 1 35 35 SER HB2 H 1 3.98 0.02 . 1 . . . . . . . . 4998 1 336 . 1 1 35 35 SER HB3 H 1 3.98 0.02 . 1 . . . . . . . . 4998 1 337 . 1 1 35 35 SER C C 13 173.41 0.1 . 1 . . . . . . . . 4998 1 338 . 1 1 35 35 SER CA C 13 56.93 0.1 . 1 . . . . . . . . 4998 1 339 . 1 1 35 35 SER CB C 13 64.81 0.1 . 1 . . . . . . . . 4998 1 340 . 1 1 35 35 SER N N 15 127.07 0.1 . 1 . . . . . . . . 4998 1 341 . 1 1 36 36 SER H H 1 8.34 0.02 . 1 . . . . . . . . 4998 1 342 . 1 1 36 36 SER HA H 1 4.17 0.02 . 1 . . . . . . . . 4998 1 343 . 1 1 36 36 SER HB2 H 1 2.94 0.02 . 1 . . . . . . . . 4998 1 344 . 1 1 36 36 SER HB3 H 1 2.94 0.02 . 1 . . . . . . . . 4998 1 345 . 1 1 36 36 SER C C 13 171.93 0.1 . 1 . . . . . . . . 4998 1 346 . 1 1 36 36 SER CA C 13 56.27 0.1 . 1 . . . . . . . . 4998 1 347 . 1 1 36 36 SER CB C 13 61.52 0.1 . 1 . . . . . . . . 4998 1 348 . 1 1 36 36 SER N N 15 111.52 0.1 . 1 . . . . . . . . 4998 1 349 . 1 1 37 37 THR H H 1 8.87 0.02 . 1 . . . . . . . . 4998 1 350 . 1 1 37 37 THR HA H 1 4.42 0.02 . 1 . . . . . . . . 4998 1 351 . 1 1 37 37 THR HB H 1 3.98 0.02 . 1 . . . . . . . . 4998 1 352 . 1 1 37 37 THR HG21 H 1 0.99 0.02 . 1 . . . . . . . . 4998 1 353 . 1 1 37 37 THR HG22 H 1 0.99 0.02 . 1 . . . . . . . . 4998 1 354 . 1 1 37 37 THR HG23 H 1 0.99 0.02 . 1 . . . . . . . . 4998 1 355 . 1 1 37 37 THR C C 13 172.22 0.1 . 1 . . . . . . . . 4998 1 356 . 1 1 37 37 THR CA C 13 61.50 0.1 . 1 . . . . . . . . 4998 1 357 . 1 1 37 37 THR CB C 13 66.25 0.1 . 1 . . . . . . . . 4998 1 358 . 1 1 37 37 THR CG2 C 13 20.38 0.1 . 1 . . . . . . . . 4998 1 359 . 1 1 37 37 THR N N 15 118.94 0.1 . 1 . . . . . . . . 4998 1 360 . 1 1 38 38 TRP H H 1 9.25 0.02 . 1 . . . . . . . . 4998 1 361 . 1 1 38 38 TRP HA H 1 4.75 0.02 . 1 . . . . . . . . 4998 1 362 . 1 1 38 38 TRP HB2 H 1 2.54 0.02 . 1 . . . . . . . . 4998 1 363 . 1 1 38 38 TRP HB3 H 1 2.54 0.02 . 1 . . . . . . . . 4998 1 364 . 1 1 38 38 TRP C C 13 172.46 0.1 . 1 . . . . . . . . 4998 1 365 . 1 1 38 38 TRP CA C 13 52.15 0.1 . 1 . . . . . . . . 4998 1 366 . 1 1 38 38 TRP CB C 13 29.53 0.1 . 1 . . . . . . . . 4998 1 367 . 1 1 38 38 TRP N N 15 129.61 0.1 . 1 . . . . . . . . 4998 1 368 . 1 1 39 39 HIS H H 1 7.89 0.02 . 1 . . . . . . . . 4998 1 369 . 1 1 39 39 HIS HA H 1 4.44 0.02 . 1 . . . . . . . . 4998 1 370 . 1 1 39 39 HIS HB2 H 1 2.43 0.02 . 1 . . . . . . . . 4998 1 371 . 1 1 39 39 HIS HB3 H 1 2.43 0.02 . 1 . . . . . . . . 4998 1 372 . 1 1 39 39 HIS C C 13 169.88 0.1 . 1 . . . . . . . . 4998 1 373 . 1 1 39 39 HIS CA C 13 52.09 0.1 . 1 . . . . . . . . 4998 1 374 . 1 1 39 39 HIS CB C 13 30.38 0.1 . 1 . . . . . . . . 4998 1 375 . 1 1 39 39 HIS N N 15 111.02 0.1 . 1 . . . . . . . . 4998 1 376 . 1 1 40 40 TRP H H 1 8.56 0.02 . 1 . . . . . . . . 4998 1 377 . 1 1 40 40 TRP HA H 1 5.08 0.02 . 1 . . . . . . . . 4998 1 378 . 1 1 40 40 TRP HB2 H 1 3.64 0.02 . 2 . . . . . . . . 4998 1 379 . 1 1 40 40 TRP HB3 H 1 2.87 0.02 . 2 . . . . . . . . 4998 1 380 . 1 1 40 40 TRP C C 13 171.67 0.1 . 1 . . . . . . . . 4998 1 381 . 1 1 40 40 TRP CA C 13 53.85 0.1 . 1 . . . . . . . . 4998 1 382 . 1 1 40 40 TRP CB C 13 27.77 0.1 . 1 . . . . . . . . 4998 1 383 . 1 1 40 40 TRP N N 15 120.03 0.1 . 1 . . . . . . . . 4998 1 384 . 1 1 41 41 THR H H 1 8.67 0.02 . 1 . . . . . . . . 4998 1 385 . 1 1 41 41 THR HA H 1 4.42 0.02 . 1 . . . . . . . . 4998 1 386 . 1 1 41 41 THR HB H 1 3.92 0.02 . 1 . . . . . . . . 4998 1 387 . 1 1 41 41 THR HG21 H 1 0.99 0.02 . 1 . . . . . . . . 4998 1 388 . 1 1 41 41 THR HG22 H 1 0.99 0.02 . 1 . . . . . . . . 4998 1 389 . 1 1 41 41 THR HG23 H 1 0.99 0.02 . 1 . . . . . . . . 4998 1 390 . 1 1 41 41 THR C C 13 175.17 0.1 . 1 . . . . . . . . 4998 1 391 . 1 1 41 41 THR CA C 13 62.27 0.1 . 1 . . . . . . . . 4998 1 392 . 1 1 41 41 THR CB C 13 67.99 0.1 . 1 . . . . . . . . 4998 1 393 . 1 1 41 41 THR CG2 C 13 20.38 0.1 . 1 . . . . . . . . 4998 1 394 . 1 1 41 41 THR N N 15 115.31 0.1 . 1 . . . . . . . . 4998 1 395 . 1 1 42 42 GLY H H 1 9.77 0.02 . 1 . . . . . . . . 4998 1 396 . 1 1 42 42 GLY HA2 H 1 4.03 0.02 . 1 . . . . . . . . 4998 1 397 . 1 1 42 42 GLY HA3 H 1 4.03 0.02 . 1 . . . . . . . . 4998 1 398 . 1 1 42 42 GLY C C 13 173.88 0.1 . 1 . . . . . . . . 4998 1 399 . 1 1 42 42 GLY CA C 13 43.28 0.1 . 1 . . . . . . . . 4998 1 400 . 1 1 42 42 GLY N N 15 114.16 0.1 . 1 . . . . . . . . 4998 1 401 . 1 1 43 43 ALA H H 1 8.31 0.02 . 1 . . . . . . . . 4998 1 402 . 1 1 43 43 ALA HA H 1 4.32 0.02 . 1 . . . . . . . . 4998 1 403 . 1 1 43 43 ALA HB1 H 1 1.39 0.02 . 1 . . . . . . . . 4998 1 404 . 1 1 43 43 ALA HB2 H 1 1.39 0.02 . 1 . . . . . . . . 4998 1 405 . 1 1 43 43 ALA HB3 H 1 1.39 0.02 . 1 . . . . . . . . 4998 1 406 . 1 1 43 43 ALA C C 13 172.26 0.1 . 1 . . . . . . . . 4998 1 407 . 1 1 43 43 ALA CA C 13 50.72 0.1 . 1 . . . . . . . . 4998 1 408 . 1 1 43 43 ALA CB C 13 16.84 0.1 . 1 . . . . . . . . 4998 1 409 . 1 1 43 43 ALA N N 15 123.70 0.1 . 1 . . . . . . . . 4998 1 410 . 1 1 44 44 GLY H H 1 8.42 0.02 . 1 . . . . . . . . 4998 1 411 . 1 1 44 44 GLY HA2 H 1 4.10 0.02 . 2 . . . . . . . . 4998 1 412 . 1 1 44 44 GLY HA3 H 1 3.91 0.02 . 2 . . . . . . . . 4998 1 413 . 1 1 44 44 GLY C C 13 176.29 0.1 . 1 . . . . . . . . 4998 1 414 . 1 1 44 44 GLY CA C 13 43.25 0.1 . 1 . . . . . . . . 4998 1 415 . 1 1 44 44 GLY N N 15 108.16 0.1 . 1 . . . . . . . . 4998 1 416 . 1 1 45 45 ASN H H 1 8.09 0.02 . 1 . . . . . . . . 4998 1 417 . 1 1 45 45 ASN HA H 1 4.75 0.02 . 1 . . . . . . . . 4998 1 418 . 1 1 45 45 ASN HB2 H 1 2.93 0.02 . 2 . . . . . . . . 4998 1 419 . 1 1 45 45 ASN HB3 H 1 2.75 0.02 . 2 . . . . . . . . 4998 1 420 . 1 1 45 45 ASN C C 13 172.12 0.1 . 1 . . . . . . . . 4998 1 421 . 1 1 45 45 ASN CA C 13 50.98 0.1 . 1 . . . . . . . . 4998 1 422 . 1 1 45 45 ASN CB C 13 37.51 0.1 . 1 . . . . . . . . 4998 1 423 . 1 1 45 45 ASN N N 15 117.19 0.1 . 1 . . . . . . . . 4998 1 424 . 1 1 46 46 GLU H H 1 8.81 0.02 . 1 . . . . . . . . 4998 1 425 . 1 1 46 46 GLU HA H 1 3.98 0.02 . 1 . . . . . . . . 4998 1 426 . 1 1 46 46 GLU HB2 H 1 1.93 0.02 . 2 . . . . . . . . 4998 1 427 . 1 1 46 46 GLU HB3 H 1 1.87 0.02 . 2 . . . . . . . . 4998 1 428 . 1 1 46 46 GLU HG2 H 1 2.14 0.02 . 1 . . . . . . . . 4998 1 429 . 1 1 46 46 GLU HG3 H 1 2.14 0.02 . 1 . . . . . . . . 4998 1 430 . 1 1 46 46 GLU C C 13 173.36 0.1 . 1 . . . . . . . . 4998 1 431 . 1 1 46 46 GLU CA C 13 55.97 0.1 . 1 . . . . . . . . 4998 1 432 . 1 1 46 46 GLU CB C 13 27.17 0.1 . 1 . . . . . . . . 4998 1 433 . 1 1 46 46 GLU CG C 13 33.95 0.1 . 1 . . . . . . . . 4998 1 434 . 1 1 46 46 GLU N N 15 119.81 0.1 . 1 . . . . . . . . 4998 1 435 . 1 1 47 47 LYS H H 1 8.17 0.02 . 1 . . . . . . . . 4998 1 436 . 1 1 47 47 LYS HA H 1 4.19 0.02 . 1 . . . . . . . . 4998 1 437 . 1 1 47 47 LYS HB2 H 1 1.94 0.02 . 2 . . . . . . . . 4998 1 438 . 1 1 47 47 LYS HB3 H 1 1.76 0.02 . 2 . . . . . . . . 4998 1 439 . 1 1 47 47 LYS HG2 H 1 1.40 0.02 . 2 . . . . . . . . 4998 1 440 . 1 1 47 47 LYS HG3 H 1 1.33 0.02 . 2 . . . . . . . . 4998 1 441 . 1 1 47 47 LYS HD2 H 1 1.60 0.02 . 1 . . . . . . . . 4998 1 442 . 1 1 47 47 LYS HD3 H 1 1.60 0.02 . 1 . . . . . . . . 4998 1 443 . 1 1 47 47 LYS HE2 H 1 2.94 0.02 . 1 . . . . . . . . 4998 1 444 . 1 1 47 47 LYS HE3 H 1 2.94 0.02 . 1 . . . . . . . . 4998 1 445 . 1 1 47 47 LYS C C 13 174.43 0.1 . 1 . . . . . . . . 4998 1 446 . 1 1 47 47 LYS CA C 13 54.79 0.1 . 1 . . . . . . . . 4998 1 447 . 1 1 47 47 LYS CB C 13 30.57 0.1 . 1 . . . . . . . . 4998 1 448 . 1 1 47 47 LYS CG C 13 22.93 0.1 . 1 . . . . . . . . 4998 1 449 . 1 1 47 47 LYS CD C 13 26.73 0.1 . 1 . . . . . . . . 4998 1 450 . 1 1 47 47 LYS CE C 13 39.80 0.1 . 1 . . . . . . . . 4998 1 451 . 1 1 47 47 LYS N N 15 117.28 0.1 . 1 . . . . . . . . 4998 1 452 . 1 1 48 48 THR H H 1 7.49 0.02 . 1 . . . . . . . . 4998 1 453 . 1 1 48 48 THR HA H 1 4.37 0.02 . 1 . . . . . . . . 4998 1 454 . 1 1 48 48 THR HB H 1 3.99 0.02 . 1 . . . . . . . . 4998 1 455 . 1 1 48 48 THR HG21 H 1 1.05 0.02 . 1 . . . . . . . . 4998 1 456 . 1 1 48 48 THR HG22 H 1 1.05 0.02 . 1 . . . . . . . . 4998 1 457 . 1 1 48 48 THR HG23 H 1 1.05 0.02 . 1 . . . . . . . . 4998 1 458 . 1 1 48 48 THR C C 13 174.80 0.1 . 1 . . . . . . . . 4998 1 459 . 1 1 48 48 THR CA C 13 59.28 0.1 . 1 . . . . . . . . 4998 1 460 . 1 1 48 48 THR CB C 13 68.23 0.1 . 1 . . . . . . . . 4998 1 461 . 1 1 48 48 THR CG2 C 13 19.72 0.1 . 1 . . . . . . . . 4998 1 462 . 1 1 48 48 THR N N 15 113.55 0.1 . 1 . . . . . . . . 4998 1 463 . 1 1 49 49 GLY H H 1 8.64 0.02 . 1 . . . . . . . . 4998 1 464 . 1 1 49 49 GLY HA2 H 1 4.28 0.02 . 2 . . . . . . . . 4998 1 465 . 1 1 49 49 GLY HA3 H 1 3.05 0.02 . 2 . . . . . . . . 4998 1 466 . 1 1 49 49 GLY C C 13 171.67 0.1 . 1 . . . . . . . . 4998 1 467 . 1 1 49 49 GLY CA C 13 42.01 0.1 . 1 . . . . . . . . 4998 1 468 . 1 1 49 49 GLY N N 15 111.32 0.1 . 1 . . . . . . . . 4998 1 469 . 1 1 50 50 ILE H H 1 8.29 0.02 . 1 . . . . . . . . 4998 1 470 . 1 1 50 50 ILE HA H 1 4.53 0.02 . 1 . . . . . . . . 4998 1 471 . 1 1 50 50 ILE C C 13 168.12 0.1 . 1 . . . . . . . . 4998 1 472 . 1 1 50 50 ILE CA C 13 57.68 0.1 . 1 . . . . . . . . 4998 1 473 . 1 1 50 50 ILE CB C 13 37.82 0.1 . 1 . . . . . . . . 4998 1 474 . 1 1 50 50 ILE N N 15 119.88 0.1 . 1 . . . . . . . . 4998 1 475 . 1 1 51 51 LEU H H 1 8.39 0.02 . 1 . . . . . . . . 4998 1 476 . 1 1 51 51 LEU HA H 1 4.30 0.02 . 1 . . . . . . . . 4998 1 477 . 1 1 51 51 LEU HB2 H 1 1.44 0.02 . 2 . . . . . . . . 4998 1 478 . 1 1 51 51 LEU HB3 H 1 1.24 0.02 . 2 . . . . . . . . 4998 1 479 . 1 1 51 51 LEU HG H 1 1.44 0.02 . 2 . . . . . . . . 4998 1 480 . 1 1 51 51 LEU HD11 H 1 0.67 0.02 . 2 . . . . . . . . 4998 1 481 . 1 1 51 51 LEU HD12 H 1 0.67 0.02 . 2 . . . . . . . . 4998 1 482 . 1 1 51 51 LEU HD13 H 1 0.67 0.02 . 2 . . . . . . . . 4998 1 483 . 1 1 51 51 LEU C C 13 171.45 0.1 . 1 . . . . . . . . 4998 1 484 . 1 1 51 51 LEU CA C 13 51.06 0.1 . 1 . . . . . . . . 4998 1 485 . 1 1 51 51 LEU CB C 13 44.03 0.1 . 1 . . . . . . . . 4998 1 486 . 1 1 51 51 LEU CG C 13 24.41 0.1 . 1 . . . . . . . . 4998 1 487 . 1 1 51 51 LEU CD1 C 13 23.46 0.1 . 1 . . . . . . . . 4998 1 488 . 1 1 51 51 LEU N N 15 120.99 0.1 . 1 . . . . . . . . 4998 1 489 . 1 1 52 52 THR H H 1 8.89 0.02 . 1 . . . . . . . . 4998 1 490 . 1 1 52 52 THR HA H 1 5.22 0.02 . 1 . . . . . . . . 4998 1 491 . 1 1 52 52 THR HB H 1 3.52 0.02 . 1 . . . . . . . . 4998 1 492 . 1 1 52 52 THR HG21 H 1 1.30 0.02 . 1 . . . . . . . . 4998 1 493 . 1 1 52 52 THR HG22 H 1 1.30 0.02 . 1 . . . . . . . . 4998 1 494 . 1 1 52 52 THR HG23 H 1 1.30 0.02 . 1 . . . . . . . . 4998 1 495 . 1 1 52 52 THR C C 13 173.14 0.1 . 1 . . . . . . . . 4998 1 496 . 1 1 52 52 THR CA C 13 59.30 0.1 . 1 . . . . . . . . 4998 1 497 . 1 1 52 52 THR CB C 13 72.25 0.1 . 1 . . . . . . . . 4998 1 498 . 1 1 52 52 THR CG2 C 13 22.71 0.1 . 1 . . . . . . . . 4998 1 499 . 1 1 52 52 THR N N 15 120.58 0.1 . 1 . . . . . . . . 4998 1 500 . 1 1 53 53 VAL H H 1 8.97 0.02 . 1 . . . . . . . . 4998 1 501 . 1 1 53 53 VAL HA H 1 4.71 0.02 . 1 . . . . . . . . 4998 1 502 . 1 1 53 53 VAL HB H 1 1.65 0.02 . 1 . . . . . . . . 4998 1 503 . 1 1 53 53 VAL HG11 H 1 0.43 0.02 . 2 . . . . . . . . 4998 1 504 . 1 1 53 53 VAL HG12 H 1 0.43 0.02 . 2 . . . . . . . . 4998 1 505 . 1 1 53 53 VAL HG13 H 1 0.43 0.02 . 2 . . . . . . . . 4998 1 506 . 1 1 53 53 VAL HG21 H 1 0.16 0.02 . 2 . . . . . . . . 4998 1 507 . 1 1 53 53 VAL HG22 H 1 0.16 0.02 . 2 . . . . . . . . 4998 1 508 . 1 1 53 53 VAL HG23 H 1 0.16 0.02 . 2 . . . . . . . . 4998 1 509 . 1 1 53 53 VAL C C 13 170.60 0.1 . 1 . . . . . . . . 4998 1 510 . 1 1 53 53 VAL CA C 13 58.06 0.1 . 1 . . . . . . . . 4998 1 511 . 1 1 53 53 VAL CB C 13 31.00 0.1 . 1 . . . . . . . . 4998 1 512 . 1 1 53 53 VAL CG1 C 13 18.20 0.1 . 1 . . . . . . . . 4998 1 513 . 1 1 53 53 VAL CG2 C 13 20.37 0.1 . 1 . . . . . . . . 4998 1 514 . 1 1 53 53 VAL N N 15 127.66 0.1 . 1 . . . . . . . . 4998 1 515 . 1 1 54 54 THR H H 1 8.63 0.02 . 1 . . . . . . . . 4998 1 516 . 1 1 54 54 THR HA H 1 5.00 0.02 . 1 . . . . . . . . 4998 1 517 . 1 1 54 54 THR HB H 1 3.87 0.02 . 1 . . . . . . . . 4998 1 518 . 1 1 54 54 THR HG21 H 1 1.03 0.02 . 1 . . . . . . . . 4998 1 519 . 1 1 54 54 THR HG22 H 1 1.03 0.02 . 1 . . . . . . . . 4998 1 520 . 1 1 54 54 THR HG23 H 1 1.03 0.02 . 1 . . . . . . . . 4998 1 521 . 1 1 54 54 THR C C 13 172.93 0.1 . 1 . . . . . . . . 4998 1 522 . 1 1 54 54 THR CA C 13 56.41 0.1 . 1 . . . . . . . . 4998 1 523 . 1 1 54 54 THR CB C 13 68.61 0.1 . 1 . . . . . . . . 4998 1 524 . 1 1 54 54 THR CG2 C 13 19.60 0.1 . 1 . . . . . . . . 4998 1 525 . 1 1 54 54 THR N N 15 114.36 0.1 . 1 . . . . . . . . 4998 1 526 . 1 1 55 55 TYR H H 1 7.26 0.02 . 1 . . . . . . . . 4998 1 527 . 1 1 55 55 TYR HA H 1 4.61 0.02 . 1 . . . . . . . . 4998 1 528 . 1 1 55 55 TYR HB2 H 1 3.55 0.02 . 1 . . . . . . . . 4998 1 529 . 1 1 55 55 TYR HB3 H 1 3.55 0.02 . 1 . . . . . . . . 4998 1 530 . 1 1 55 55 TYR C C 13 171.06 0.1 . 1 . . . . . . . . 4998 1 531 . 1 1 55 55 TYR CA C 13 55.21 0.1 . 1 . . . . . . . . 4998 1 532 . 1 1 55 55 TYR CB C 13 40.88 0.1 . 1 . . . . . . . . 4998 1 533 . 1 1 55 55 TYR N N 15 113.74 0.1 . 1 . . . . . . . . 4998 1 534 . 1 1 56 56 HIS H H 1 9.34 0.02 . 1 . . . . . . . . 4998 1 535 . 1 1 56 56 HIS HA H 1 4.42 0.02 . 1 . . . . . . . . 4998 1 536 . 1 1 56 56 HIS HB2 H 1 3.08 0.02 . 2 . . . . . . . . 4998 1 537 . 1 1 56 56 HIS HB3 H 1 2.81 0.02 . 2 . . . . . . . . 4998 1 538 . 1 1 56 56 HIS C C 13 173.18 0.1 . 1 . . . . . . . . 4998 1 539 . 1 1 56 56 HIS CA C 13 56.49 0.1 . 1 . . . . . . . . 4998 1 540 . 1 1 56 56 HIS CB C 13 29.81 0.1 . 1 . . . . . . . . 4998 1 541 . 1 1 56 56 HIS N N 15 118.21 0.1 . 1 . . . . . . . . 4998 1 542 . 1 1 57 57 SER H H 1 7.34 0.02 . 1 . . . . . . . . 4998 1 543 . 1 1 57 57 SER C C 13 173.49 0.1 . 1 . . . . . . . . 4998 1 544 . 1 1 57 57 SER CA C 13 54.41 0.1 . 1 . . . . . . . . 4998 1 545 . 1 1 57 57 SER N N 15 105.78 0.1 . 1 . . . . . . . . 4998 1 546 . 1 1 59 59 THR HA H 1 3.91 0.02 . 1 . . . . . . . . 4998 1 547 . 1 1 59 59 THR HB H 1 4.07 0.02 . 1 . . . . . . . . 4998 1 548 . 1 1 59 59 THR HG21 H 1 1.20 0.02 . 1 . . . . . . . . 4998 1 549 . 1 1 59 59 THR HG22 H 1 1.20 0.02 . 1 . . . . . . . . 4998 1 550 . 1 1 59 59 THR HG23 H 1 1.20 0.02 . 1 . . . . . . . . 4998 1 551 . 1 1 59 59 THR CA C 13 64.19 0.1 . 1 . . . . . . . . 4998 1 552 . 1 1 59 59 THR CB C 13 66.34 0.1 . 1 . . . . . . . . 4998 1 553 . 1 1 59 59 THR CG2 C 13 18.99 0.1 . 1 . . . . . . . . 4998 1 554 . 1 1 60 60 GLN H H 1 8.02 0.02 . 1 . . . . . . . . 4998 1 555 . 1 1 60 60 GLN HA H 1 4.06 0.02 . 1 . . . . . . . . 4998 1 556 . 1 1 60 60 GLN HB2 H 1 2.09 0.02 . 1 . . . . . . . . 4998 1 557 . 1 1 60 60 GLN HB3 H 1 2.09 0.02 . 1 . . . . . . . . 4998 1 558 . 1 1 60 60 GLN HG2 H 1 3.26 0.02 . 1 . . . . . . . . 4998 1 559 . 1 1 60 60 GLN HG3 H 1 3.26 0.02 . 1 . . . . . . . . 4998 1 560 . 1 1 60 60 GLN C C 13 174.20 0.1 . 1 . . . . . . . . 4998 1 561 . 1 1 60 60 GLN CA C 13 56.90 0.1 . 1 . . . . . . . . 4998 1 562 . 1 1 60 60 GLN CB C 13 27.27 0.1 . 1 . . . . . . . . 4998 1 563 . 1 1 60 60 GLN CG C 13 41.55 0.1 . 1 . . . . . . . . 4998 1 564 . 1 1 60 60 GLN N N 15 123.81 0.1 . 1 . . . . . . . . 4998 1 565 . 1 1 61 61 ARG H H 1 7.31 0.02 . 1 . . . . . . . . 4998 1 566 . 1 1 61 61 ARG HA H 1 2.99 0.02 . 1 . . . . . . . . 4998 1 567 . 1 1 61 61 ARG HB2 H 1 1.70 0.02 . 1 . . . . . . . . 4998 1 568 . 1 1 61 61 ARG HB3 H 1 1.70 0.02 . 1 . . . . . . . . 4998 1 569 . 1 1 61 61 ARG C C 13 175.22 0.1 . 1 . . . . . . . . 4998 1 570 . 1 1 61 61 ARG CA C 13 57.25 0.1 . 1 . . . . . . . . 4998 1 571 . 1 1 61 61 ARG CB C 13 27.77 0.1 . 1 . . . . . . . . 4998 1 572 . 1 1 61 61 ARG N N 15 119.25 0.1 . 1 . . . . . . . . 4998 1 573 . 1 1 62 62 THR H H 1 8.47 0.02 . 1 . . . . . . . . 4998 1 574 . 1 1 62 62 THR HA H 1 3.71 0.02 . 1 . . . . . . . . 4998 1 575 . 1 1 62 62 THR HB H 1 4.21 0.02 . 1 . . . . . . . . 4998 1 576 . 1 1 62 62 THR HG21 H 1 1.16 0.02 . 1 . . . . . . . . 4998 1 577 . 1 1 62 62 THR HG22 H 1 1.16 0.02 . 1 . . . . . . . . 4998 1 578 . 1 1 62 62 THR HG23 H 1 1.16 0.02 . 1 . . . . . . . . 4998 1 579 . 1 1 62 62 THR C C 13 174.94 0.1 . 1 . . . . . . . . 4998 1 580 . 1 1 62 62 THR CA C 13 64.67 0.1 . 1 . . . . . . . . 4998 1 581 . 1 1 62 62 THR CB C 13 66.46 0.1 . 1 . . . . . . . . 4998 1 582 . 1 1 62 62 THR CG2 C 13 19.65 0.1 . 1 . . . . . . . . 4998 1 583 . 1 1 62 62 THR N N 15 117.57 0.1 . 1 . . . . . . . . 4998 1 584 . 1 1 63 63 LYS H H 1 7.88 0.02 . 1 . . . . . . . . 4998 1 585 . 1 1 63 63 LYS HA H 1 4.05 0.02 . 1 . . . . . . . . 4998 1 586 . 1 1 63 63 LYS HB2 H 1 1.90 0.02 . 1 . . . . . . . . 4998 1 587 . 1 1 63 63 LYS HB3 H 1 1.90 0.02 . 1 . . . . . . . . 4998 1 588 . 1 1 63 63 LYS HG2 H 1 1.29 0.02 . 1 . . . . . . . . 4998 1 589 . 1 1 63 63 LYS HG3 H 1 1.29 0.02 . 1 . . . . . . . . 4998 1 590 . 1 1 63 63 LYS HD2 H 1 1.59 0.02 . 1 . . . . . . . . 4998 1 591 . 1 1 63 63 LYS HD3 H 1 1.59 0.02 . 1 . . . . . . . . 4998 1 592 . 1 1 63 63 LYS HE2 H 1 2.84 0.02 . 2 . . . . . . . . 4998 1 593 . 1 1 63 63 LYS HE3 H 1 2.79 0.02 . 2 . . . . . . . . 4998 1 594 . 1 1 63 63 LYS C C 13 173.47 0.1 . 1 . . . . . . . . 4998 1 595 . 1 1 63 63 LYS CA C 13 57.28 0.1 . 1 . . . . . . . . 4998 1 596 . 1 1 63 63 LYS CB C 13 29.34 0.1 . 1 . . . . . . . . 4998 1 597 . 1 1 63 63 LYS CG C 13 22.63 0.1 . 1 . . . . . . . . 4998 1 598 . 1 1 63 63 LYS CD C 13 26.76 0.1 . 1 . . . . . . . . 4998 1 599 . 1 1 63 63 LYS CE C 13 39.80 0.1 . 1 . . . . . . . . 4998 1 600 . 1 1 63 63 LYS N N 15 121.56 0.1 . 1 . . . . . . . . 4998 1 601 . 1 1 64 64 PHE H H 1 8.68 0.02 . 1 . . . . . . . . 4998 1 602 . 1 1 64 64 PHE HA H 1 3.94 0.02 . 1 . . . . . . . . 4998 1 603 . 1 1 64 64 PHE HB2 H 1 3.75 0.02 . 1 . . . . . . . . 4998 1 604 . 1 1 64 64 PHE HB3 H 1 3.75 0.02 . 1 . . . . . . . . 4998 1 605 . 1 1 64 64 PHE C C 13 177.53 0.1 . 1 . . . . . . . . 4998 1 606 . 1 1 64 64 PHE CA C 13 59.77 0.1 . 1 . . . . . . . . 4998 1 607 . 1 1 64 64 PHE CB C 13 35.86 0.1 . 1 . . . . . . . . 4998 1 608 . 1 1 64 64 PHE N N 15 122.19 0.1 . 1 . . . . . . . . 4998 1 609 . 1 1 65 65 LEU H H 1 8.46 0.02 . 1 . . . . . . . . 4998 1 610 . 1 1 65 65 LEU HA H 1 4.03 0.02 . 1 . . . . . . . . 4998 1 611 . 1 1 65 65 LEU HB2 H 1 1.92 0.02 . 2 . . . . . . . . 4998 1 612 . 1 1 65 65 LEU HB3 H 1 1.33 0.02 . 2 . . . . . . . . 4998 1 613 . 1 1 65 65 LEU HD11 H 1 0.67 0.02 . 2 . . . . . . . . 4998 1 614 . 1 1 65 65 LEU HD12 H 1 0.67 0.02 . 2 . . . . . . . . 4998 1 615 . 1 1 65 65 LEU HD13 H 1 0.67 0.02 . 2 . . . . . . . . 4998 1 616 . 1 1 65 65 LEU HD21 H 1 0.48 0.02 . 2 . . . . . . . . 4998 1 617 . 1 1 65 65 LEU HD22 H 1 0.48 0.02 . 2 . . . . . . . . 4998 1 618 . 1 1 65 65 LEU HD23 H 1 0.48 0.02 . 2 . . . . . . . . 4998 1 619 . 1 1 65 65 LEU C C 13 174.91 0.1 . 1 . . . . . . . . 4998 1 620 . 1 1 65 65 LEU CA C 13 54.86 0.1 . 1 . . . . . . . . 4998 1 621 . 1 1 65 65 LEU CB C 13 39.32 0.1 . 1 . . . . . . . . 4998 1 622 . 1 1 65 65 LEU CD1 C 13 19.30 0.1 . 1 . . . . . . . . 4998 1 623 . 1 1 65 65 LEU CD2 C 13 22.91 0.1 . 1 . . . . . . . . 4998 1 624 . 1 1 65 65 LEU N N 15 118.84 0.1 . 1 . . . . . . . . 4998 1 625 . 1 1 66 66 ASN H H 1 7.89 0.02 . 1 . . . . . . . . 4998 1 626 . 1 1 66 66 ASN HA H 1 4.72 0.02 . 1 . . . . . . . . 4998 1 627 . 1 1 66 66 ASN HB2 H 1 2.84 0.02 . 2 . . . . . . . . 4998 1 628 . 1 1 66 66 ASN HB3 H 1 2.76 0.02 . 2 . . . . . . . . 4998 1 629 . 1 1 66 66 ASN C C 13 176.34 0.1 . 1 . . . . . . . . 4998 1 630 . 1 1 66 66 ASN CA C 13 51.67 0.1 . 1 . . . . . . . . 4998 1 631 . 1 1 66 66 ASN CB C 13 37.26 0.1 . 1 . . . . . . . . 4998 1 632 . 1 1 66 66 ASN N N 15 114.93 0.1 . 1 . . . . . . . . 4998 1 633 . 1 1 67 67 THR H H 1 7.52 0.02 . 1 . . . . . . . . 4998 1 634 . 1 1 67 67 THR HA H 1 4.25 0.02 . 1 . . . . . . . . 4998 1 635 . 1 1 67 67 THR HB H 1 3.74 0.02 . 1 . . . . . . . . 4998 1 636 . 1 1 67 67 THR HG21 H 1 0.96 0.02 . 1 . . . . . . . . 4998 1 637 . 1 1 67 67 THR HG22 H 1 0.96 0.02 . 1 . . . . . . . . 4998 1 638 . 1 1 67 67 THR HG23 H 1 0.96 0.02 . 1 . . . . . . . . 4998 1 639 . 1 1 67 67 THR C C 13 173.66 0.1 . 1 . . . . . . . . 4998 1 640 . 1 1 67 67 THR CA C 13 61.85 0.1 . 1 . . . . . . . . 4998 1 641 . 1 1 67 67 THR CB C 13 68.91 0.1 . 1 . . . . . . . . 4998 1 642 . 1 1 67 67 THR CG2 C 13 18.92 0.1 . 1 . . . . . . . . 4998 1 643 . 1 1 67 67 THR N N 15 112.40 0.1 . 1 . . . . . . . . 4998 1 644 . 1 1 68 68 VAL H H 1 7.73 0.02 . 1 . . . . . . . . 4998 1 645 . 1 1 68 68 VAL HA H 1 3.39 0.02 . 1 . . . . . . . . 4998 1 646 . 1 1 68 68 VAL HB H 1 1.05 0.02 . 1 . . . . . . . . 4998 1 647 . 1 1 68 68 VAL HG11 H 1 0.16 0.02 . 2 . . . . . . . . 4998 1 648 . 1 1 68 68 VAL HG12 H 1 0.16 0.02 . 2 . . . . . . . . 4998 1 649 . 1 1 68 68 VAL HG13 H 1 0.16 0.02 . 2 . . . . . . . . 4998 1 650 . 1 1 68 68 VAL C C 13 171.61 0.1 . 1 . . . . . . . . 4998 1 651 . 1 1 68 68 VAL CA C 13 60.07 0.1 . 1 . . . . . . . . 4998 1 652 . 1 1 68 68 VAL CB C 13 29.25 0.1 . 1 . . . . . . . . 4998 1 653 . 1 1 68 68 VAL CG1 C 13 18.45 0.1 . 1 . . . . . . . . 4998 1 654 . 1 1 68 68 VAL CG2 C 13 17.60 0.1 . 1 . . . . . . . . 4998 1 655 . 1 1 68 68 VAL N N 15 122.00 0.1 . 1 . . . . . . . . 4998 1 656 . 1 1 69 69 ALA H H 1 8.12 0.02 . 1 . . . . . . . . 4998 1 657 . 1 1 69 69 ALA HA H 1 4.23 0.02 . 1 . . . . . . . . 4998 1 658 . 1 1 69 69 ALA HB1 H 1 1.19 0.02 . 1 . . . . . . . . 4998 1 659 . 1 1 69 69 ALA HB2 H 1 1.19 0.02 . 1 . . . . . . . . 4998 1 660 . 1 1 69 69 ALA HB3 H 1 1.19 0.02 . 1 . . . . . . . . 4998 1 661 . 1 1 69 69 ALA C C 13 172.02 0.1 . 1 . . . . . . . . 4998 1 662 . 1 1 69 69 ALA CA C 13 49.53 0.1 . 1 . . . . . . . . 4998 1 663 . 1 1 69 69 ALA CB C 13 15.99 0.1 . 1 . . . . . . . . 4998 1 664 . 1 1 69 69 ALA N N 15 129.17 0.1 . 1 . . . . . . . . 4998 1 665 . 1 1 70 70 ILE H H 1 8.40 0.02 . 1 . . . . . . . . 4998 1 666 . 1 1 70 70 ILE C C 13 174.04 0.1 . 1 . . . . . . . . 4998 1 667 . 1 1 70 70 ILE CA C 13 54.26 0.1 . 1 . . . . . . . . 4998 1 668 . 1 1 70 70 ILE N N 15 125.89 0.1 . 1 . . . . . . . . 4998 1 669 . 1 1 71 71 PRO HA H 1 4.43 0.02 . 1 . . . . . . . . 4998 1 670 . 1 1 71 71 PRO HB2 H 1 2.43 0.02 . 2 . . . . . . . . 4998 1 671 . 1 1 71 71 PRO HB3 H 1 1.92 0.02 . 2 . . . . . . . . 4998 1 672 . 1 1 71 71 PRO HG2 H 1 3.83 0.02 . 2 . . . . . . . . 4998 1 673 . 1 1 71 71 PRO HG3 H 1 3.35 0.02 . 2 . . . . . . . . 4998 1 674 . 1 1 71 71 PRO CA C 13 60.85 0.1 . 1 . . . . . . . . 4998 1 675 . 1 1 71 71 PRO CB C 13 30.38 0.1 . 1 . . . . . . . . 4998 1 676 . 1 1 71 71 PRO CG C 13 25.23 0.1 . 1 . . . . . . . . 4998 1 677 . 1 1 72 72 ASP H H 1 8.56 0.02 . 1 . . . . . . . . 4998 1 678 . 1 1 72 72 ASP HA H 1 4.19 0.02 . 1 . . . . . . . . 4998 1 679 . 1 1 72 72 ASP HB2 H 1 2.65 0.02 . 1 . . . . . . . . 4998 1 680 . 1 1 72 72 ASP HB3 H 1 2.65 0.02 . 1 . . . . . . . . 4998 1 681 . 1 1 72 72 ASP C C 13 174.61 0.1 . 1 . . . . . . . . 4998 1 682 . 1 1 72 72 ASP CA C 13 53.85 0.1 . 1 . . . . . . . . 4998 1 683 . 1 1 72 72 ASP CB C 13 38.07 0.1 . 1 . . . . . . . . 4998 1 684 . 1 1 72 72 ASP N N 15 120.03 0.1 . 1 . . . . . . . . 4998 1 685 . 1 1 73 73 SER H H 1 7.48 0.02 . 1 . . . . . . . . 4998 1 686 . 1 1 73 73 SER HA H 1 4.26 0.02 . 1 . . . . . . . . 4998 1 687 . 1 1 73 73 SER HB2 H 1 4.07 0.02 . 2 . . . . . . . . 4998 1 688 . 1 1 73 73 SER HB3 H 1 3.83 0.02 . 2 . . . . . . . . 4998 1 689 . 1 1 73 73 SER C C 13 173.98 0.1 . 1 . . . . . . . . 4998 1 690 . 1 1 73 73 SER CA C 13 55.90 0.1 . 1 . . . . . . . . 4998 1 691 . 1 1 73 73 SER CB C 13 60.58 0.1 . 1 . . . . . . . . 4998 1 692 . 1 1 73 73 SER N N 15 109.69 0.1 . 1 . . . . . . . . 4998 1 693 . 1 1 74 74 VAL H H 1 7.83 0.02 . 1 . . . . . . . . 4998 1 694 . 1 1 74 74 VAL HA H 1 4.45 0.02 . 1 . . . . . . . . 4998 1 695 . 1 1 74 74 VAL HB H 1 1.99 0.02 . 1 . . . . . . . . 4998 1 696 . 1 1 74 74 VAL HG11 H 1 0.66 0.02 . 2 . . . . . . . . 4998 1 697 . 1 1 74 74 VAL HG12 H 1 0.66 0.02 . 2 . . . . . . . . 4998 1 698 . 1 1 74 74 VAL HG13 H 1 0.66 0.02 . 2 . . . . . . . . 4998 1 699 . 1 1 74 74 VAL HG21 H 1 0.62 0.02 . 2 . . . . . . . . 4998 1 700 . 1 1 74 74 VAL HG22 H 1 0.62 0.02 . 2 . . . . . . . . 4998 1 701 . 1 1 74 74 VAL HG23 H 1 0.62 0.02 . 2 . . . . . . . . 4998 1 702 . 1 1 74 74 VAL C C 13 171.92 0.1 . 1 . . . . . . . . 4998 1 703 . 1 1 74 74 VAL CA C 13 59.08 0.1 . 1 . . . . . . . . 4998 1 704 . 1 1 74 74 VAL CB C 13 30.98 0.1 . 1 . . . . . . . . 4998 1 705 . 1 1 74 74 VAL CG1 C 13 20.02 0.1 . 1 . . . . . . . . 4998 1 706 . 1 1 74 74 VAL CG2 C 13 20.02 0.1 . 1 . . . . . . . . 4998 1 707 . 1 1 74 74 VAL N N 15 125.42 0.1 . 1 . . . . . . . . 4998 1 708 . 1 1 75 75 GLN H H 1 8.94 0.02 . 1 . . . . . . . . 4998 1 709 . 1 1 75 75 GLN HA H 1 4.45 0.02 . 1 . . . . . . . . 4998 1 710 . 1 1 75 75 GLN HB2 H 1 2.03 0.02 . 2 . . . . . . . . 4998 1 711 . 1 1 75 75 GLN HB3 H 1 1.90 0.02 . 2 . . . . . . . . 4998 1 712 . 1 1 75 75 GLN HG2 H 1 2.43 0.02 . 2 . . . . . . . . 4998 1 713 . 1 1 75 75 GLN HG3 H 1 2.23 0.02 . 2 . . . . . . . . 4998 1 714 . 1 1 75 75 GLN C C 13 172.04 0.1 . 1 . . . . . . . . 4998 1 715 . 1 1 75 75 GLN CA C 13 53.00 0.1 . 1 . . . . . . . . 4998 1 716 . 1 1 75 75 GLN CB C 13 28.74 0.1 . 1 . . . . . . . . 4998 1 717 . 1 1 75 75 GLN CG C 13 32.19 0.1 . 1 . . . . . . . . 4998 1 718 . 1 1 75 75 GLN N N 15 125.65 0.1 . 1 . . . . . . . . 4998 1 719 . 1 1 76 76 ILE H H 1 8.83 0.02 . 1 . . . . . . . . 4998 1 720 . 1 1 76 76 ILE HA H 1 4.63 0.02 . 1 . . . . . . . . 4998 1 721 . 1 1 76 76 ILE HB H 1 1.88 0.02 . 1 . . . . . . . . 4998 1 722 . 1 1 76 76 ILE HG21 H 1 0.67 0.02 . 1 . . . . . . . . 4998 1 723 . 1 1 76 76 ILE HG22 H 1 0.67 0.02 . 1 . . . . . . . . 4998 1 724 . 1 1 76 76 ILE HG23 H 1 0.67 0.02 . 1 . . . . . . . . 4998 1 725 . 1 1 76 76 ILE C C 13 172.76 0.1 . 1 . . . . . . . . 4998 1 726 . 1 1 76 76 ILE CA C 13 58.71 0.1 . 1 . . . . . . . . 4998 1 727 . 1 1 76 76 ILE CB C 13 37.76 0.1 . 1 . . . . . . . . 4998 1 728 . 1 1 76 76 ILE CG2 C 13 15.81 0.1 . 1 . . . . . . . . 4998 1 729 . 1 1 76 76 ILE N N 15 122.43 0.1 . 1 . . . . . . . . 4998 1 730 . 1 1 77 77 LEU H H 1 9.07 0.02 . 1 . . . . . . . . 4998 1 731 . 1 1 77 77 LEU HA H 1 5.04 0.02 . 1 . . . . . . . . 4998 1 732 . 1 1 77 77 LEU HB2 H 1 1.65 0.02 . 2 . . . . . . . . 4998 1 733 . 1 1 77 77 LEU HB3 H 1 1.30 0.02 . 2 . . . . . . . . 4998 1 734 . 1 1 77 77 LEU HG H 1 1.43 0.02 . 1 . . . . . . . . 4998 1 735 . 1 1 77 77 LEU HD11 H 1 0.74 0.02 . 2 . . . . . . . . 4998 1 736 . 1 1 77 77 LEU HD12 H 1 0.74 0.02 . 2 . . . . . . . . 4998 1 737 . 1 1 77 77 LEU HD13 H 1 0.74 0.02 . 2 . . . . . . . . 4998 1 738 . 1 1 77 77 LEU HD21 H 1 0.60 0.02 . 2 . . . . . . . . 4998 1 739 . 1 1 77 77 LEU HD22 H 1 0.60 0.02 . 2 . . . . . . . . 4998 1 740 . 1 1 77 77 LEU HD23 H 1 0.60 0.02 . 2 . . . . . . . . 4998 1 741 . 1 1 77 77 LEU C C 13 172.98 0.1 . 1 . . . . . . . . 4998 1 742 . 1 1 77 77 LEU CA C 13 51.54 0.1 . 1 . . . . . . . . 4998 1 743 . 1 1 77 77 LEU CB C 13 41.98 0.1 . 1 . . . . . . . . 4998 1 744 . 1 1 77 77 LEU CG C 13 25.94 0.1 . 1 . . . . . . . . 4998 1 745 . 1 1 77 77 LEU CD1 C 13 22.69 0.1 . 1 . . . . . . . . 4998 1 746 . 1 1 77 77 LEU CD2 C 13 22.12 0.1 . 1 . . . . . . . . 4998 1 747 . 1 1 77 77 LEU N N 15 128.16 0.1 . 1 . . . . . . . . 4998 1 748 . 1 1 78 78 VAL H H 1 8.87 0.02 . 1 . . . . . . . . 4998 1 749 . 1 1 78 78 VAL HA H 1 4.38 0.02 . 1 . . . . . . . . 4998 1 750 . 1 1 78 78 VAL HB H 1 1.55 0.02 . 1 . . . . . . . . 4998 1 751 . 1 1 78 78 VAL HG11 H 1 0.71 0.02 . 1 . . . . . . . . 4998 1 752 . 1 1 78 78 VAL HG12 H 1 0.71 0.02 . 1 . . . . . . . . 4998 1 753 . 1 1 78 78 VAL HG13 H 1 0.71 0.02 . 1 . . . . . . . . 4998 1 754 . 1 1 78 78 VAL HG21 H 1 0.71 0.02 . 1 . . . . . . . . 4998 1 755 . 1 1 78 78 VAL HG22 H 1 0.71 0.02 . 1 . . . . . . . . 4998 1 756 . 1 1 78 78 VAL HG23 H 1 0.71 0.02 . 1 . . . . . . . . 4998 1 757 . 1 1 78 78 VAL C C 13 173.14 0.1 . 1 . . . . . . . . 4998 1 758 . 1 1 78 78 VAL CA C 13 58.45 0.1 . 1 . . . . . . . . 4998 1 759 . 1 1 78 78 VAL CB C 13 32.33 0.1 . 1 . . . . . . . . 4998 1 760 . 1 1 78 78 VAL CG1 C 13 19.09 0.1 . 1 . . . . . . . . 4998 1 761 . 1 1 78 78 VAL CG2 C 13 19.09 0.1 . 1 . . . . . . . . 4998 1 762 . 1 1 78 78 VAL N N 15 121.05 0.1 . 1 . . . . . . . . 4998 1 763 . 1 1 79 79 GLY H H 1 7.86 0.02 . 1 . . . . . . . . 4998 1 764 . 1 1 79 79 GLY HA2 H 1 5.08 0.02 . 2 . . . . . . . . 4998 1 765 . 1 1 79 79 GLY HA3 H 1 4.08 0.02 . 2 . . . . . . . . 4998 1 766 . 1 1 79 79 GLY C C 13 172.86 0.1 . 1 . . . . . . . . 4998 1 767 . 1 1 79 79 GLY CA C 13 44.62 0.1 . 1 . . . . . . . . 4998 1 768 . 1 1 79 79 GLY N N 15 111.73 0.1 . 1 . . . . . . . . 4998 1 769 . 1 1 80 80 TYR H H 1 8.54 0.02 . 1 . . . . . . . . 4998 1 770 . 1 1 80 80 TYR HA H 1 5.37 0.02 . 1 . . . . . . . . 4998 1 771 . 1 1 80 80 TYR HB2 H 1 2.99 0.02 . 2 . . . . . . . . 4998 1 772 . 1 1 80 80 TYR HB3 H 1 2.61 0.02 . 2 . . . . . . . . 4998 1 773 . 1 1 80 80 TYR C C 13 169.75 0.1 . 1 . . . . . . . . 4998 1 774 . 1 1 80 80 TYR CA C 13 54.23 0.1 . 1 . . . . . . . . 4998 1 775 . 1 1 80 80 TYR CB C 13 40.30 0.1 . 1 . . . . . . . . 4998 1 776 . 1 1 80 80 TYR N N 15 119.24 0.1 . 1 . . . . . . . . 4998 1 777 . 1 1 81 81 MET H H 1 8.60 0.02 . 1 . . . . . . . . 4998 1 778 . 1 1 81 81 MET HA H 1 5.35 0.02 . 1 . . . . . . . . 4998 1 779 . 1 1 81 81 MET HB2 H 1 1.94 0.02 . 1 . . . . . . . . 4998 1 780 . 1 1 81 81 MET HB3 H 1 1.94 0.02 . 1 . . . . . . . . 4998 1 781 . 1 1 81 81 MET HG2 H 1 2.55 0.02 . 2 . . . . . . . . 4998 1 782 . 1 1 81 81 MET HG3 H 1 2.50 0.02 . 2 . . . . . . . . 4998 1 783 . 1 1 81 81 MET C C 13 171.31 0.1 . 1 . . . . . . . . 4998 1 784 . 1 1 81 81 MET CA C 13 51.86 0.1 . 1 . . . . . . . . 4998 1 785 . 1 1 81 81 MET CB C 13 34.66 0.1 . 1 . . . . . . . . 4998 1 786 . 1 1 81 81 MET CG C 13 29.09 0.1 . 1 . . . . . . . . 4998 1 787 . 1 1 81 81 MET N N 15 117.15 0.1 . 1 . . . . . . . . 4998 1 788 . 1 1 82 82 THR H H 1 8.53 0.02 . 1 . . . . . . . . 4998 1 789 . 1 1 82 82 THR HA H 1 4.98 0.02 . 1 . . . . . . . . 4998 1 790 . 1 1 82 82 THR HB H 1 3.51 0.02 . 1 . . . . . . . . 4998 1 791 . 1 1 82 82 THR HG21 H 1 1.06 0.02 . 1 . . . . . . . . 4998 1 792 . 1 1 82 82 THR HG22 H 1 1.06 0.02 . 1 . . . . . . . . 4998 1 793 . 1 1 82 82 THR HG23 H 1 1.06 0.02 . 1 . . . . . . . . 4998 1 794 . 1 1 82 82 THR C C 13 172.03 0.1 . 1 . . . . . . . . 4998 1 795 . 1 1 82 82 THR CA C 13 59.38 0.1 . 1 . . . . . . . . 4998 1 796 . 1 1 82 82 THR CB C 13 68.52 0.1 . 1 . . . . . . . . 4998 1 797 . 1 1 82 82 THR CG2 C 13 19.60 0.1 . 1 . . . . . . . . 4998 1 798 . 1 1 82 82 THR N N 15 122.12 0.1 . 1 . . . . . . . . 4998 1 799 . 1 1 83 83 MET H H 1 8.25 0.02 . 1 . . . . . . . . 4998 1 800 . 1 1 83 83 MET HA H 1 5.19 0.02 . 1 . . . . . . . . 4998 1 801 . 1 1 83 83 MET C C 13 170.95 0.1 . 1 . . . . . . . . 4998 1 802 . 1 1 83 83 MET CA C 13 51.06 0.1 . 1 . . . . . . . . 4998 1 803 . 1 1 83 83 MET CB C 13 33.27 0.1 . 1 . . . . . . . . 4998 1 804 . 1 1 83 83 MET N N 15 122.01 0.1 . 1 . . . . . . . . 4998 1 805 . 1 1 84 84 HIS H H 1 8.90 0.02 . 1 . . . . . . . . 4998 1 806 . 1 1 84 84 HIS C C 13 173.02 0.1 . 1 . . . . . . . . 4998 1 807 . 1 1 84 84 HIS CA C 13 53.04 0.1 . 1 . . . . . . . . 4998 1 808 . 1 1 84 84 HIS N N 15 118.65 0.1 . 1 . . . . . . . . 4998 1 stop_ save_