data_19707 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19707 _Entry.Title ; Solution structure of the extracellular sensor domain of DraK histidine kinase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-12-25 _Entry.Accession_date 2013-12-25 _Entry.Last_release_date 2014-09-16 _Entry.Original_release_date 2014-09-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 'Kwon Joo' Yeo . . . 19707 2 Hae-Kap Cheong . . . 19707 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' . 19707 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DraK . 19707 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19707 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 619 19707 '13C chemical shifts' 361 19707 '15N chemical shifts' 93 19707 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 . . 2014-09-16 2013-12-25 original author . 19707 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MJ6 'BMRB Entry Tracking System' 19707 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19707 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1371/journal.pone.0107168 _Citation.PubMed_ID 25203403 _Citation.Full_citation . _Citation.Title 'Mechanism of the pH-Induced Conformational Change in the Sensor Domain of the DraK Histidine Kinase via the E83, E105, and E107 Residues' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS One' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 9 _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 e107168 _Citation.Page_last e107168 _Citation.Year 2014 _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 Kwon-Joo Yeo . . . 19707 1 2 Young-Soo Hong . . . 19707 1 3 Jun-Goo Jee . . . 19707 1 4 Jae-Kyoung Lee . . . 19707 1 5 Hyo-Jeong Kim . . . 19707 1 6 Jin-Wan Park . . . 19707 1 7 Eun-Hee Kim . . . 19707 1 8 Eunha Hwang . . . 19707 1 9 Sang-Yoon Kim . . . 19707 1 10 Eun-Gyeong Lee . . . 19707 1 11 Ohsuk Kwon . . . 19707 1 12 Hae-Kap Cheong . . . 19707 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19707 _Assembly.ID 1 _Assembly.Name 'extracellular sensor domain of DraK histidine kinase' _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 $entity A . yes native no no . . . 19707 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19707 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DraK _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 ; GSETRTISSTAQERVDLEAV RLASIVDSRLIGTGSVDEDF LREQIRDARYAVIRIPGQPV VEVGTKPTGDVLQGRATGEE GETVLVEEPR ; _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 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9760.893 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2MJ6 . "Solution Structure Of The Extracellular Sensor Domain Of Drak Histidine Kinase" . . . . . 100.00 90 100.00 100.00 7.04e-53 . . . . 19707 1 2 no EMBL CAB89434 . "putative two-component system histidine kinase [Streptomyces coelicolor A3(2)]" . . . . . 97.78 424 98.86 100.00 9.96e-48 . . . . 19707 1 3 no GB AIJ15408 . "two-component system histidine kinase [Streptomyces lividans TK24]" . . . . . 97.78 424 97.73 100.00 2.41e-47 . . . . 19707 1 4 no GB EFD68832 . "two-component system histidine kinase [Streptomyces lividans TK24]" . . . . . 97.78 424 97.73 100.00 2.41e-47 . . . . 19707 1 5 no GB EOY48125 . "putative two-component system sensor kinase [Streptomyces lividans 1326]" . . . . . 97.78 424 97.73 100.00 2.41e-47 . . . . 19707 1 6 no GB KKD15092 . "histidine kinase [Streptomyces sp. WM6391]" . . . . . 97.78 424 97.73 100.00 2.41e-47 . . . . 19707 1 7 no REF NP_627282 . "two-component system histidine kinase [Streptomyces coelicolor A3(2)]" . . . . . 97.78 424 98.86 100.00 9.96e-48 . . . . 19707 1 8 no REF WP_003975749 . "MULTISPECIES: two-component system sensor histidine kinase [Streptomyces]" . . . . . 97.78 424 97.73 100.00 2.41e-47 . . . . 19707 1 9 no REF WP_011028744 . "MULTISPECIES: two-component system sensor histidine kinase [Streptomyces]" . . . . . 97.78 424 98.86 100.00 9.96e-48 . . . . 19707 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 19707 1 2 . SER . 19707 1 3 . GLU . 19707 1 4 . THR . 19707 1 5 . ARG . 19707 1 6 . THR . 19707 1 7 . ILE . 19707 1 8 . SER . 19707 1 9 . SER . 19707 1 10 . THR . 19707 1 11 . ALA . 19707 1 12 . GLN . 19707 1 13 . GLU . 19707 1 14 . ARG . 19707 1 15 . VAL . 19707 1 16 . ASP . 19707 1 17 . LEU . 19707 1 18 . GLU . 19707 1 19 . ALA . 19707 1 20 . VAL . 19707 1 21 . ARG . 19707 1 22 . LEU . 19707 1 23 . ALA . 19707 1 24 . SER . 19707 1 25 . ILE . 19707 1 26 . VAL . 19707 1 27 . ASP . 19707 1 28 . SER . 19707 1 29 . ARG . 19707 1 30 . LEU . 19707 1 31 . ILE . 19707 1 32 . GLY . 19707 1 33 . THR . 19707 1 34 . GLY . 19707 1 35 . SER . 19707 1 36 . VAL . 19707 1 37 . ASP . 19707 1 38 . GLU . 19707 1 39 . ASP . 19707 1 40 . PHE . 19707 1 41 . LEU . 19707 1 42 . ARG . 19707 1 43 . GLU . 19707 1 44 . GLN . 19707 1 45 . ILE . 19707 1 46 . ARG . 19707 1 47 . ASP . 19707 1 48 . ALA . 19707 1 49 . ARG . 19707 1 50 . TYR . 19707 1 51 . ALA . 19707 1 52 . VAL . 19707 1 53 . ILE . 19707 1 54 . ARG . 19707 1 55 . ILE . 19707 1 56 . PRO . 19707 1 57 . GLY . 19707 1 58 . GLN . 19707 1 59 . PRO . 19707 1 60 . VAL . 19707 1 61 . VAL . 19707 1 62 . GLU . 19707 1 63 . VAL . 19707 1 64 . GLY . 19707 1 65 . THR . 19707 1 66 . LYS . 19707 1 67 . PRO . 19707 1 68 . THR . 19707 1 69 . GLY . 19707 1 70 . ASP . 19707 1 71 . VAL . 19707 1 72 . LEU . 19707 1 73 . GLN . 19707 1 74 . GLY . 19707 1 75 . ARG . 19707 1 76 . ALA . 19707 1 77 . THR . 19707 1 78 . GLY . 19707 1 79 . GLU . 19707 1 80 . GLU . 19707 1 81 . GLY . 19707 1 82 . GLU . 19707 1 83 . THR . 19707 1 84 . VAL . 19707 1 85 . LEU . 19707 1 86 . VAL . 19707 1 87 . GLU . 19707 1 88 . GLU . 19707 1 89 . PRO . 19707 1 90 . ARG . 19707 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19707 1 . SER 2 2 19707 1 . GLU 3 3 19707 1 . THR 4 4 19707 1 . ARG 5 5 19707 1 . THR 6 6 19707 1 . ILE 7 7 19707 1 . SER 8 8 19707 1 . SER 9 9 19707 1 . THR 10 10 19707 1 . ALA 11 11 19707 1 . GLN 12 12 19707 1 . GLU 13 13 19707 1 . ARG 14 14 19707 1 . VAL 15 15 19707 1 . ASP 16 16 19707 1 . LEU 17 17 19707 1 . GLU 18 18 19707 1 . ALA 19 19 19707 1 . VAL 20 20 19707 1 . ARG 21 21 19707 1 . LEU 22 22 19707 1 . ALA 23 23 19707 1 . SER 24 24 19707 1 . ILE 25 25 19707 1 . VAL 26 26 19707 1 . ASP 27 27 19707 1 . SER 28 28 19707 1 . ARG 29 29 19707 1 . LEU 30 30 19707 1 . ILE 31 31 19707 1 . GLY 32 32 19707 1 . THR 33 33 19707 1 . GLY 34 34 19707 1 . SER 35 35 19707 1 . VAL 36 36 19707 1 . ASP 37 37 19707 1 . GLU 38 38 19707 1 . ASP 39 39 19707 1 . PHE 40 40 19707 1 . LEU 41 41 19707 1 . ARG 42 42 19707 1 . GLU 43 43 19707 1 . GLN 44 44 19707 1 . ILE 45 45 19707 1 . ARG 46 46 19707 1 . ASP 47 47 19707 1 . ALA 48 48 19707 1 . ARG 49 49 19707 1 . TYR 50 50 19707 1 . ALA 51 51 19707 1 . VAL 52 52 19707 1 . ILE 53 53 19707 1 . ARG 54 54 19707 1 . ILE 55 55 19707 1 . PRO 56 56 19707 1 . GLY 57 57 19707 1 . GLN 58 58 19707 1 . PRO 59 59 19707 1 . VAL 60 60 19707 1 . VAL 61 61 19707 1 . GLU 62 62 19707 1 . VAL 63 63 19707 1 . GLY 64 64 19707 1 . THR 65 65 19707 1 . LYS 66 66 19707 1 . PRO 67 67 19707 1 . THR 68 68 19707 1 . GLY 69 69 19707 1 . ASP 70 70 19707 1 . VAL 71 71 19707 1 . LEU 72 72 19707 1 . GLN 73 73 19707 1 . GLY 74 74 19707 1 . ARG 75 75 19707 1 . ALA 76 76 19707 1 . THR 77 77 19707 1 . GLY 78 78 19707 1 . GLU 79 79 19707 1 . GLU 80 80 19707 1 . GLY 81 81 19707 1 . GLU 82 82 19707 1 . THR 83 83 19707 1 . VAL 84 84 19707 1 . LEU 85 85 19707 1 . VAL 86 86 19707 1 . GLU 87 87 19707 1 . GLU 88 88 19707 1 . PRO 89 89 19707 1 . ARG 90 90 19707 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 19707 _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 $entity . 1902 organism . 'Streptomyces coelicolor' 'High GC gram positive' . . Bacteria Actinobacteria Streptomyces coelicolor . . . . . . . . . . . . . . . . . . . . . 19707 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 19707 _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 $entity . 'recombinant technology' 'Streptomyces coelicolor' . . . Streptomyces coelicolor . . . . . . . . . . . . . . . . pET28a . . . . . . 19707 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19707 _Sample.ID 1 _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 DraK '[U-13C; U-15N]' . . 1 $entity . . 1 . . mM . . . . 19707 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19707 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19707 1 4 'sodium acetate' 'natural abundance' . . . . . . 10 . . mM . . . . 19707 1 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 19707 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 19707 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 19707 1 pH 4.5 . pH 19707 1 pressure 1 . atm 19707 1 temperature 298 . K 19707 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19707 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19707 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19707 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 19707 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 19707 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 19707 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 19707 _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 . . . . . . . . . . . . . . . . 19707 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19707 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19707 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19707 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19707 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19707 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19707 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19707 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19707 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 19707 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19707 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19707 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19707 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 19707 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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' . . . 19707 1 2 '3D HNCO' . . . 19707 1 3 '3D HNCA' . . . 19707 1 4 '3D CBCA(CO)NH' . . . 19707 1 5 '3D HNCACB' . . . 19707 1 6 '3D HBHA(CO)NH' . . . 19707 1 7 '3D 1H-13C NOESY' . . . 19707 1 8 '3D 1H-15N NOESY' . . . 19707 1 9 '3D HCCH-TOCSY' . . . 19707 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.909 0 . . . . . . 1 GLY HA . 19707 1 2 . 1 1 1 1 GLY HA3 H 1 3.909 0 . . . . . . 1 GLY HA . 19707 1 3 . 1 1 1 1 GLY C C 13 170.556 0 . . . . . . 1 GLY C . 19707 1 4 . 1 1 1 1 GLY CA C 13 43.516 0 . . . . . . 1 GLY CA . 19707 1 5 . 1 1 2 2 SER H H 1 8.731 0.002 . . . . . . 2 SER H . 19707 1 6 . 1 1 2 2 SER HA H 1 4.478 0.006 . . . . . . 2 SER HA . 19707 1 7 . 1 1 2 2 SER HB2 H 1 3.874 0.009 . . . . . . 2 SER HB . 19707 1 8 . 1 1 2 2 SER HB3 H 1 3.874 0.009 . . . . . . 2 SER HB . 19707 1 9 . 1 1 2 2 SER C C 13 174.538 0 . . . . . . 2 SER C . 19707 1 10 . 1 1 2 2 SER CA C 13 58.62 0.013 . . . . . . 2 SER CA . 19707 1 11 . 1 1 2 2 SER CB C 13 63.772 0.027 . . . . . . 2 SER CB . 19707 1 12 . 1 1 2 2 SER N N 15 116.063 0.015 . . . . . . 2 SER N . 19707 1 13 . 1 1 3 3 GLU H H 1 8.776 0.003 . . . . . . 3 GLU H . 19707 1 14 . 1 1 3 3 GLU HA H 1 4.39 0.003 . . . . . . 3 GLU HA . 19707 1 15 . 1 1 3 3 GLU HB2 H 1 1.972 0.002 . . . . . . 3 GLU HB2 . 19707 1 16 . 1 1 3 3 GLU HB3 H 1 2.096 0.002 . . . . . . 3 GLU HB3 . 19707 1 17 . 1 1 3 3 GLU HG2 H 1 2.3 0 . . . . . . 3 GLU HG2 . 19707 1 18 . 1 1 3 3 GLU HG3 H 1 2.347 0 . . . . . . 3 GLU HG3 . 19707 1 19 . 1 1 3 3 GLU C C 13 176.567 0 . . . . . . 3 GLU C . 19707 1 20 . 1 1 3 3 GLU CA C 13 56.704 0.024 . . . . . . 3 GLU CA . 19707 1 21 . 1 1 3 3 GLU CB C 13 29.587 0.01 . . . . . . 3 GLU CB . 19707 1 22 . 1 1 3 3 GLU CG C 13 35.42 0 . . . . . . 3 GLU CG . 19707 1 23 . 1 1 3 3 GLU N N 15 123.041 0.014 . . . . . . 3 GLU N . 19707 1 24 . 1 1 4 4 THR H H 1 8.235 0.002 . . . . . . 4 THR H . 19707 1 25 . 1 1 4 4 THR HA H 1 4.303 0.004 . . . . . . 4 THR HA . 19707 1 26 . 1 1 4 4 THR HB H 1 4.174 0.003 . . . . . . 4 THR HB . 19707 1 27 . 1 1 4 4 THR HG21 H 1 1.193 0.002 . . . . . . 4 THR HG2 . 19707 1 28 . 1 1 4 4 THR HG22 H 1 1.193 0.002 . . . . . . 4 THR HG2 . 19707 1 29 . 1 1 4 4 THR HG23 H 1 1.193 0.002 . . . . . . 4 THR HG2 . 19707 1 30 . 1 1 4 4 THR C C 13 174.469 0 . . . . . . 4 THR C . 19707 1 31 . 1 1 4 4 THR CA C 13 62.164 0.015 . . . . . . 4 THR CA . 19707 1 32 . 1 1 4 4 THR CB C 13 69.759 0.069 . . . . . . 4 THR CB . 19707 1 33 . 1 1 4 4 THR CG2 C 13 21.589 0.062 . . . . . . 4 THR CG2 . 19707 1 34 . 1 1 4 4 THR N N 15 116.282 0.019 . . . . . . 4 THR N . 19707 1 35 . 1 1 5 5 ARG H H 1 8.424 0.002 . . . . . . 5 ARG H . 19707 1 36 . 1 1 5 5 ARG HA H 1 4.43 0.003 . . . . . . 5 ARG HA . 19707 1 37 . 1 1 5 5 ARG HB2 H 1 1.769 0.004 . . . . . . 5 ARG HB2 . 19707 1 38 . 1 1 5 5 ARG HB3 H 1 1.853 0.004 . . . . . . 5 ARG HB3 . 19707 1 39 . 1 1 5 5 ARG HG2 H 1 1.598 0.004 . . . . . . 5 ARG HG2 . 19707 1 40 . 1 1 5 5 ARG HG3 H 1 1.643 0 . . . . . . 5 ARG HG3 . 19707 1 41 . 1 1 5 5 ARG HD2 H 1 3.194 0.001 . . . . . . 5 ARG HD . 19707 1 42 . 1 1 5 5 ARG HD3 H 1 3.194 0.001 . . . . . . 5 ARG HD . 19707 1 43 . 1 1 5 5 ARG C C 13 176.27 0 . . . . . . 5 ARG C . 19707 1 44 . 1 1 5 5 ARG CA C 13 56.093 0.054 . . . . . . 5 ARG CA . 19707 1 45 . 1 1 5 5 ARG CB C 13 30.915 0.039 . . . . . . 5 ARG CB . 19707 1 46 . 1 1 5 5 ARG CG C 13 27.113 0.027 . . . . . . 5 ARG CG . 19707 1 47 . 1 1 5 5 ARG CD C 13 43.337 0.016 . . . . . . 5 ARG CD . 19707 1 48 . 1 1 5 5 ARG N N 15 124.284 0.02 . . . . . . 5 ARG N . 19707 1 49 . 1 1 6 6 THR H H 1 8.294 0.002 . . . . . . 6 THR H . 19707 1 50 . 1 1 6 6 THR HA H 1 4.333 0.004 . . . . . . 6 THR HA . 19707 1 51 . 1 1 6 6 THR HB H 1 4.168 0.005 . . . . . . 6 THR HB . 19707 1 52 . 1 1 6 6 THR HG21 H 1 1.185 0.002 . . . . . . 6 THR HG2 . 19707 1 53 . 1 1 6 6 THR HG22 H 1 1.185 0.002 . . . . . . 6 THR HG2 . 19707 1 54 . 1 1 6 6 THR HG23 H 1 1.185 0.002 . . . . . . 6 THR HG2 . 19707 1 55 . 1 1 6 6 THR C C 13 174.534 0 . . . . . . 6 THR C . 19707 1 56 . 1 1 6 6 THR CA C 13 61.968 0.028 . . . . . . 6 THR CA . 19707 1 57 . 1 1 6 6 THR CB C 13 69.963 0.038 . . . . . . 6 THR CB . 19707 1 58 . 1 1 6 6 THR CG2 C 13 21.73 0 . . . . . . 6 THR CG2 . 19707 1 59 . 1 1 6 6 THR N N 15 116.752 0.014 . . . . . . 6 THR N . 19707 1 60 . 1 1 7 7 ILE H H 1 8.317 0.002 . . . . . . 7 ILE H . 19707 1 61 . 1 1 7 7 ILE HA H 1 4.208 0.004 . . . . . . 7 ILE HA . 19707 1 62 . 1 1 7 7 ILE HB H 1 1.874 0.003 . . . . . . 7 ILE HB . 19707 1 63 . 1 1 7 7 ILE HG12 H 1 1.176 0.003 . . . . . . 7 ILE HG12 . 19707 1 64 . 1 1 7 7 ILE HG13 H 1 1.485 0.002 . . . . . . 7 ILE HG13 . 19707 1 65 . 1 1 7 7 ILE HG21 H 1 0.922 0.004 . . . . . . 7 ILE HG2 . 19707 1 66 . 1 1 7 7 ILE HG22 H 1 0.922 0.004 . . . . . . 7 ILE HG2 . 19707 1 67 . 1 1 7 7 ILE HG23 H 1 0.922 0.004 . . . . . . 7 ILE HG2 . 19707 1 68 . 1 1 7 7 ILE HD11 H 1 0.859 0.002 . . . . . . 7 ILE HD1 . 19707 1 69 . 1 1 7 7 ILE HD12 H 1 0.859 0.002 . . . . . . 7 ILE HD1 . 19707 1 70 . 1 1 7 7 ILE HD13 H 1 0.859 0.002 . . . . . . 7 ILE HD1 . 19707 1 71 . 1 1 7 7 ILE C C 13 176.322 0 . . . . . . 7 ILE C . 19707 1 72 . 1 1 7 7 ILE CA C 13 61.232 0.03 . . . . . . 7 ILE CA . 19707 1 73 . 1 1 7 7 ILE CB C 13 38.819 0.033 . . . . . . 7 ILE CB . 19707 1 74 . 1 1 7 7 ILE CG1 C 13 27.337 0.049 . . . . . . 7 ILE CG1 . 19707 1 75 . 1 1 7 7 ILE CG2 C 13 17.495 0.049 . . . . . . 7 ILE CG2 . 19707 1 76 . 1 1 7 7 ILE CD1 C 13 12.978 0.12 . . . . . . 7 ILE CD1 . 19707 1 77 . 1 1 7 7 ILE N N 15 123.982 0.028 . . . . . . 7 ILE N . 19707 1 78 . 1 1 8 8 SER H H 1 8.472 0.03 . . . . . . 8 SER H . 19707 1 79 . 1 1 8 8 SER HA H 1 4.515 0.003 . . . . . . 8 SER HA . 19707 1 80 . 1 1 8 8 SER HB2 H 1 3.869 0.006 . . . . . . 8 SER HB . 19707 1 81 . 1 1 8 8 SER HB3 H 1 3.869 0.006 . . . . . . 8 SER HB . 19707 1 82 . 1 1 8 8 SER C C 13 174.676 0 . . . . . . 8 SER C . 19707 1 83 . 1 1 8 8 SER CA C 13 58.272 0.006 . . . . . . 8 SER CA . 19707 1 84 . 1 1 8 8 SER CB C 13 63.823 0.027 . . . . . . 8 SER CB . 19707 1 85 . 1 1 8 8 SER N N 15 120.387 0.01 . . . . . . 8 SER N . 19707 1 86 . 1 1 9 9 SER H H 1 8.432 0.002 . . . . . . 9 SER H . 19707 1 87 . 1 1 9 9 SER HA H 1 4.595 0.003 . . . . . . 9 SER HA . 19707 1 88 . 1 1 9 9 SER HB2 H 1 3.946 0.003 . . . . . . 9 SER HB2 . 19707 1 89 . 1 1 9 9 SER HB3 H 1 4 0.003 . . . . . . 9 SER HB3 . 19707 1 90 . 1 1 9 9 SER C C 13 175.413 0 . . . . . . 9 SER C . 19707 1 91 . 1 1 9 9 SER CA C 13 58.647 0.069 . . . . . . 9 SER CA . 19707 1 92 . 1 1 9 9 SER CB C 13 64.125 0.045 . . . . . . 9 SER CB . 19707 1 93 . 1 1 9 9 SER N N 15 118.525 0.01 . . . . . . 9 SER N . 19707 1 94 . 1 1 10 10 THR H H 1 8.344 0.002 . . . . . . 10 THR H . 19707 1 95 . 1 1 10 10 THR HA H 1 4.302 0.002 . . . . . . 10 THR HA . 19707 1 96 . 1 1 10 10 THR HB H 1 4.414 0.006 . . . . . . 10 THR HB . 19707 1 97 . 1 1 10 10 THR HG21 H 1 1.276 0.003 . . . . . . 10 THR HG2 . 19707 1 98 . 1 1 10 10 THR HG22 H 1 1.276 0.003 . . . . . . 10 THR HG2 . 19707 1 99 . 1 1 10 10 THR HG23 H 1 1.276 0.003 . . . . . . 10 THR HG2 . 19707 1 100 . 1 1 10 10 THR C C 13 175.82 0 . . . . . . 10 THR C . 19707 1 101 . 1 1 10 10 THR CA C 13 63.068 0.07 . . . . . . 10 THR CA . 19707 1 102 . 1 1 10 10 THR CB C 13 69.955 0.037 . . . . . . 10 THR CB . 19707 1 103 . 1 1 10 10 THR CG2 C 13 21.996 0.004 . . . . . . 10 THR CG2 . 19707 1 104 . 1 1 10 10 THR N N 15 115.776 0.006 . . . . . . 10 THR N . 19707 1 105 . 1 1 11 11 ALA H H 1 8.417 0 . . . . . . 11 ALA H . 19707 1 106 . 1 1 11 11 ALA HA H 1 4.057 0.004 . . . . . . 11 ALA HA . 19707 1 107 . 1 1 11 11 ALA HB1 H 1 1.428 0.003 . . . . . . 11 ALA HB . 19707 1 108 . 1 1 11 11 ALA HB2 H 1 1.428 0.003 . . . . . . 11 ALA HB . 19707 1 109 . 1 1 11 11 ALA HB3 H 1 1.428 0.003 . . . . . . 11 ALA HB . 19707 1 110 . 1 1 11 11 ALA C C 13 179.575 0 . . . . . . 11 ALA C . 19707 1 111 . 1 1 11 11 ALA CA C 13 55.291 0.08 . . . . . . 11 ALA CA . 19707 1 112 . 1 1 11 11 ALA CB C 13 18.639 0.024 . . . . . . 11 ALA CB . 19707 1 113 . 1 1 11 11 ALA N N 15 124.826 0.029 . . . . . . 11 ALA N . 19707 1 114 . 1 1 12 12 GLN H H 1 8.264 0.002 . . . . . . 12 GLN H . 19707 1 115 . 1 1 12 12 GLN HA H 1 3.859 0.003 . . . . . . 12 GLN HA . 19707 1 116 . 1 1 12 12 GLN HB2 H 1 2.046 0.004 . . . . . . 12 GLN HB2 . 19707 1 117 . 1 1 12 12 GLN HB3 H 1 2.203 0.003 . . . . . . 12 GLN HB3 . 19707 1 118 . 1 1 12 12 GLN HG2 H 1 2.315 0.005 . . . . . . 12 GLN HG2 . 19707 1 119 . 1 1 12 12 GLN HG3 H 1 2.421 0.002 . . . . . . 12 GLN HG3 . 19707 1 120 . 1 1 12 12 GLN HE21 H 1 7.158 0 . . . . . . 12 GLN HE21 . 19707 1 121 . 1 1 12 12 GLN HE22 H 1 7.876 0 . . . . . . 12 GLN HE22 . 19707 1 122 . 1 1 12 12 GLN C C 13 177.447 0 . . . . . . 12 GLN C . 19707 1 123 . 1 1 12 12 GLN CA C 13 57.754 0.028 . . . . . . 12 GLN CA . 19707 1 124 . 1 1 12 12 GLN CB C 13 28.975 0.001 . . . . . . 12 GLN CB . 19707 1 125 . 1 1 12 12 GLN CG C 13 33.591 0 . . . . . . 12 GLN CG . 19707 1 126 . 1 1 12 12 GLN N N 15 118.015 0.008 . . . . . . 12 GLN N . 19707 1 127 . 1 1 12 12 GLN NE2 N 15 118.843 0.001 . . . . . . 12 GLN NE2 . 19707 1 128 . 1 1 13 13 GLU H H 1 7.987 0.007 . . . . . . 13 GLU H . 19707 1 129 . 1 1 13 13 GLU HA H 1 4.173 0.006 . . . . . . 13 GLU HA . 19707 1 130 . 1 1 13 13 GLU HB2 H 1 2.084 0.002 . . . . . . 13 GLU HB2 . 19707 1 131 . 1 1 13 13 GLU HB3 H 1 2.233 0.003 . . . . . . 13 GLU HB3 . 19707 1 132 . 1 1 13 13 GLU HG2 H 1 2.444 0.004 . . . . . . 13 GLU HG . 19707 1 133 . 1 1 13 13 GLU HG3 H 1 2.444 0.004 . . . . . . 13 GLU HG . 19707 1 134 . 1 1 13 13 GLU C C 13 178.942 0 . . . . . . 13 GLU C . 19707 1 135 . 1 1 13 13 GLU CA C 13 59.065 0.055 . . . . . . 13 GLU CA . 19707 1 136 . 1 1 13 13 GLU CB C 13 28.783 0.037 . . . . . . 13 GLU CB . 19707 1 137 . 1 1 13 13 GLU CG C 13 35.285 0 . . . . . . 13 GLU CG . 19707 1 138 . 1 1 13 13 GLU N N 15 118.61 0.106 . . . . . . 13 GLU N . 19707 1 139 . 1 1 14 14 ARG H H 1 7.977 0.006 . . . . . . 14 ARG H . 19707 1 140 . 1 1 14 14 ARG HA H 1 4.038 0.005 . . . . . . 14 ARG HA . 19707 1 141 . 1 1 14 14 ARG HB2 H 1 1.965 0 . . . . . . 14 ARG HB . 19707 1 142 . 1 1 14 14 ARG HB3 H 1 1.965 0 . . . . . . 14 ARG HB . 19707 1 143 . 1 1 14 14 ARG HG2 H 1 1.513 0.001 . . . . . . 14 ARG HG2 . 19707 1 144 . 1 1 14 14 ARG HG3 H 1 1.79 0 . . . . . . 14 ARG HG3 . 19707 1 145 . 1 1 14 14 ARG HD2 H 1 3.206 0.002 . . . . . . 14 ARG HD . 19707 1 146 . 1 1 14 14 ARG HD3 H 1 3.206 0.002 . . . . . . 14 ARG HD . 19707 1 147 . 1 1 14 14 ARG HE H 1 7.321 0.007 . . . . . . 14 ARG HE . 19707 1 148 . 1 1 14 14 ARG C C 13 179.514 0 . . . . . . 14 ARG C . 19707 1 149 . 1 1 14 14 ARG CA C 13 60.033 0.068 . . . . . . 14 ARG CA . 19707 1 150 . 1 1 14 14 ARG CB C 13 29.987 0.039 . . . . . . 14 ARG CB . 19707 1 151 . 1 1 14 14 ARG CG C 13 27.946 0.023 . . . . . . 14 ARG CG . 19707 1 152 . 1 1 14 14 ARG CD C 13 43.49 0.001 . . . . . . 14 ARG CD . 19707 1 153 . 1 1 14 14 ARG N N 15 118.293 0.177 . . . . . . 14 ARG N . 19707 1 154 . 1 1 14 14 ARG NE N 15 115.901 0.02 . . . . . . 14 ARG NE . 19707 1 155 . 1 1 15 15 VAL H H 1 7.728 0.003 . . . . . . 15 VAL H . 19707 1 156 . 1 1 15 15 VAL HA H 1 3.973 0.004 . . . . . . 15 VAL HA . 19707 1 157 . 1 1 15 15 VAL HB H 1 1.928 0.003 . . . . . . 15 VAL HB . 19707 1 158 . 1 1 15 15 VAL HG11 H 1 0.926 0.004 . . . . . . 15 VAL HG1 . 19707 1 159 . 1 1 15 15 VAL HG12 H 1 0.926 0.004 . . . . . . 15 VAL HG1 . 19707 1 160 . 1 1 15 15 VAL HG13 H 1 0.926 0.004 . . . . . . 15 VAL HG1 . 19707 1 161 . 1 1 15 15 VAL HG21 H 1 0.875 0.001 . . . . . . 15 VAL HG2 . 19707 1 162 . 1 1 15 15 VAL HG22 H 1 0.875 0.001 . . . . . . 15 VAL HG2 . 19707 1 163 . 1 1 15 15 VAL HG23 H 1 0.875 0.001 . . . . . . 15 VAL HG2 . 19707 1 164 . 1 1 15 15 VAL C C 13 177.672 0 . . . . . . 15 VAL C . 19707 1 165 . 1 1 15 15 VAL CA C 13 65.581 0.035 . . . . . . 15 VAL CA . 19707 1 166 . 1 1 15 15 VAL CB C 13 31.473 0.07 . . . . . . 15 VAL CB . 19707 1 167 . 1 1 15 15 VAL CG1 C 13 22.383 0.111 . . . . . . 15 VAL CG1 . 19707 1 168 . 1 1 15 15 VAL N N 15 118.091 0.009 . . . . . . 15 VAL N . 19707 1 169 . 1 1 16 16 ASP H H 1 8.361 0.003 . . . . . . 16 ASP H . 19707 1 170 . 1 1 16 16 ASP HA H 1 4.386 0.003 . . . . . . 16 ASP HA . 19707 1 171 . 1 1 16 16 ASP HB2 H 1 2.793 0.003 . . . . . . 16 ASP HB2 . 19707 1 172 . 1 1 16 16 ASP HB3 H 1 2.956 0.004 . . . . . . 16 ASP HB3 . 19707 1 173 . 1 1 16 16 ASP C C 13 179.212 0 . . . . . . 16 ASP C . 19707 1 174 . 1 1 16 16 ASP CA C 13 58.076 0.043 . . . . . . 16 ASP CA . 19707 1 175 . 1 1 16 16 ASP CB C 13 39.419 0.028 . . . . . . 16 ASP CB . 19707 1 176 . 1 1 16 16 ASP N N 15 124.414 0.024 . . . . . . 16 ASP N . 19707 1 177 . 1 1 17 17 LEU H H 1 8.242 0.004 . . . . . . 17 LEU H . 19707 1 178 . 1 1 17 17 LEU HA H 1 4.124 0.004 . . . . . . 17 LEU HA . 19707 1 179 . 1 1 17 17 LEU HB2 H 1 1.62 0.004 . . . . . . 17 LEU HB2 . 19707 1 180 . 1 1 17 17 LEU HB3 H 1 1.864 0.005 . . . . . . 17 LEU HB3 . 19707 1 181 . 1 1 17 17 LEU HG H 1 1.801 0.001 . . . . . . 17 LEU HG . 19707 1 182 . 1 1 17 17 LEU HD11 H 1 0.904 0.003 . . . . . . 17 LEU HD1 . 19707 1 183 . 1 1 17 17 LEU HD12 H 1 0.904 0.003 . . . . . . 17 LEU HD1 . 19707 1 184 . 1 1 17 17 LEU HD13 H 1 0.904 0.003 . . . . . . 17 LEU HD1 . 19707 1 185 . 1 1 17 17 LEU HD21 H 1 0.911 0 . . . . . . 17 LEU HD2 . 19707 1 186 . 1 1 17 17 LEU HD22 H 1 0.911 0 . . . . . . 17 LEU HD2 . 19707 1 187 . 1 1 17 17 LEU HD23 H 1 0.911 0 . . . . . . 17 LEU HD2 . 19707 1 188 . 1 1 17 17 LEU C C 13 179.921 0 . . . . . . 17 LEU C . 19707 1 189 . 1 1 17 17 LEU CA C 13 57.73 0.05 . . . . . . 17 LEU CA . 19707 1 190 . 1 1 17 17 LEU CB C 13 41.595 0.011 . . . . . . 17 LEU CB . 19707 1 191 . 1 1 17 17 LEU CD1 C 13 23.44 0.165 . . . . . . 17 LEU CD1 . 19707 1 192 . 1 1 17 17 LEU CD2 C 13 24.655 0.065 . . . . . . 17 LEU CD2 . 19707 1 193 . 1 1 17 17 LEU N N 15 120.312 0.018 . . . . . . 17 LEU N . 19707 1 194 . 1 1 18 18 GLU H H 1 7.946 0.004 . . . . . . 18 GLU H . 19707 1 195 . 1 1 18 18 GLU HA H 1 4.263 0.005 . . . . . . 18 GLU HA . 19707 1 196 . 1 1 18 18 GLU HB2 H 1 2 0.002 . . . . . . 18 GLU HB2 . 19707 1 197 . 1 1 18 18 GLU HB3 H 1 2.34 0.002 . . . . . . 18 GLU HB3 . 19707 1 198 . 1 1 18 18 GLU HG2 H 1 2.346 0 . . . . . . 18 GLU HG2 . 19707 1 199 . 1 1 18 18 GLU HG3 H 1 2.466 0.001 . . . . . . 18 GLU HG3 . 19707 1 200 . 1 1 18 18 GLU C C 13 178.747 0 . . . . . . 18 GLU C . 19707 1 201 . 1 1 18 18 GLU CA C 13 58.852 0.05 . . . . . . 18 GLU CA . 19707 1 202 . 1 1 18 18 GLU CB C 13 28.822 0.033 . . . . . . 18 GLU CB . 19707 1 203 . 1 1 18 18 GLU CG C 13 34.872 0 . . . . . . 18 GLU CG . 19707 1 204 . 1 1 18 18 GLU N N 15 120.687 0.016 . . . . . . 18 GLU N . 19707 1 205 . 1 1 19 19 ALA H H 1 7.862 0.003 . . . . . . 19 ALA H . 19707 1 206 . 1 1 19 19 ALA HA H 1 3.861 0.005 . . . . . . 19 ALA HA . 19707 1 207 . 1 1 19 19 ALA HB1 H 1 1.278 0.004 . . . . . . 19 ALA HB . 19707 1 208 . 1 1 19 19 ALA HB2 H 1 1.278 0.004 . . . . . . 19 ALA HB . 19707 1 209 . 1 1 19 19 ALA HB3 H 1 1.278 0.004 . . . . . . 19 ALA HB . 19707 1 210 . 1 1 19 19 ALA C C 13 178.458 0 . . . . . . 19 ALA C . 19707 1 211 . 1 1 19 19 ALA CA C 13 55.602 0.046 . . . . . . 19 ALA CA . 19707 1 212 . 1 1 19 19 ALA CB C 13 16.904 0.005 . . . . . . 19 ALA CB . 19707 1 213 . 1 1 19 19 ALA N N 15 121.9 0.014 . . . . . . 19 ALA N . 19707 1 214 . 1 1 20 20 VAL H H 1 7.782 0.004 . . . . . . 20 VAL H . 19707 1 215 . 1 1 20 20 VAL HA H 1 3.37 0.004 . . . . . . 20 VAL HA . 19707 1 216 . 1 1 20 20 VAL HB H 1 2.164 0.003 . . . . . . 20 VAL HB . 19707 1 217 . 1 1 20 20 VAL HG11 H 1 0.982 0.002 . . . . . . 20 VAL HG1 . 19707 1 218 . 1 1 20 20 VAL HG12 H 1 0.982 0.002 . . . . . . 20 VAL HG1 . 19707 1 219 . 1 1 20 20 VAL HG13 H 1 0.982 0.002 . . . . . . 20 VAL HG1 . 19707 1 220 . 1 1 20 20 VAL HG21 H 1 1.148 0.002 . . . . . . 20 VAL HG2 . 19707 1 221 . 1 1 20 20 VAL HG22 H 1 1.148 0.002 . . . . . . 20 VAL HG2 . 19707 1 222 . 1 1 20 20 VAL HG23 H 1 1.148 0.002 . . . . . . 20 VAL HG2 . 19707 1 223 . 1 1 20 20 VAL C C 13 179.026 0 . . . . . . 20 VAL C . 19707 1 224 . 1 1 20 20 VAL CA C 13 66.557 0.079 . . . . . . 20 VAL CA . 19707 1 225 . 1 1 20 20 VAL CB C 13 32.301 0.065 . . . . . . 20 VAL CB . 19707 1 226 . 1 1 20 20 VAL CG1 C 13 21.031 0.021 . . . . . . 20 VAL CG1 . 19707 1 227 . 1 1 20 20 VAL CG2 C 13 23.075 0.044 . . . . . . 20 VAL CG2 . 19707 1 228 . 1 1 20 20 VAL N N 15 118.78 0.01 . . . . . . 20 VAL N . 19707 1 229 . 1 1 21 21 ARG H H 1 8.514 0.003 . . . . . . 21 ARG H . 19707 1 230 . 1 1 21 21 ARG HA H 1 4.065 0.004 . . . . . . 21 ARG HA . 19707 1 231 . 1 1 21 21 ARG HB2 H 1 1.924 0 . . . . . . 21 ARG HB . 19707 1 232 . 1 1 21 21 ARG HB3 H 1 1.924 0 . . . . . . 21 ARG HB . 19707 1 233 . 1 1 21 21 ARG HG2 H 1 1.715 0 . . . . . . 21 ARG HG . 19707 1 234 . 1 1 21 21 ARG HG3 H 1 1.715 0 . . . . . . 21 ARG HG . 19707 1 235 . 1 1 21 21 ARG HD2 H 1 3.147 0 . . . . . . 21 ARG HD2 . 19707 1 236 . 1 1 21 21 ARG HD3 H 1 3.278 0.004 . . . . . . 21 ARG HD3 . 19707 1 237 . 1 1 21 21 ARG HE H 1 7.643 0.004 . . . . . . 21 ARG HE . 19707 1 238 . 1 1 21 21 ARG C C 13 179.578 0 . . . . . . 21 ARG C . 19707 1 239 . 1 1 21 21 ARG CA C 13 59.41 0.053 . . . . . . 21 ARG CA . 19707 1 240 . 1 1 21 21 ARG CB C 13 30.04 0.027 . . . . . . 21 ARG CB . 19707 1 241 . 1 1 21 21 ARG CG C 13 27.692 0.1 . . . . . . 21 ARG CG . 19707 1 242 . 1 1 21 21 ARG CD C 13 43.118 0.011 . . . . . . 21 ARG CD . 19707 1 243 . 1 1 21 21 ARG N N 15 122.035 0.051 . . . . . . 21 ARG N . 19707 1 244 . 1 1 21 21 ARG NE N 15 116.164 0.023 . . . . . . 21 ARG NE . 19707 1 245 . 1 1 22 22 LEU H H 1 8.318 0.004 . . . . . . 22 LEU H . 19707 1 246 . 1 1 22 22 LEU HA H 1 4.065 0.003 . . . . . . 22 LEU HA . 19707 1 247 . 1 1 22 22 LEU HB2 H 1 1.44 0.006 . . . . . . 22 LEU HB2 . 19707 1 248 . 1 1 22 22 LEU HB3 H 1 1.751 0.002 . . . . . . 22 LEU HB3 . 19707 1 249 . 1 1 22 22 LEU HG H 1 1.608 0.002 . . . . . . 22 LEU HG . 19707 1 250 . 1 1 22 22 LEU HD11 H 1 0.613 0.004 . . . . . . 22 LEU HD1 . 19707 1 251 . 1 1 22 22 LEU HD12 H 1 0.613 0.004 . . . . . . 22 LEU HD1 . 19707 1 252 . 1 1 22 22 LEU HD13 H 1 0.613 0.004 . . . . . . 22 LEU HD1 . 19707 1 253 . 1 1 22 22 LEU HD21 H 1 0.694 0.006 . . . . . . 22 LEU HD2 . 19707 1 254 . 1 1 22 22 LEU HD22 H 1 0.694 0.006 . . . . . . 22 LEU HD2 . 19707 1 255 . 1 1 22 22 LEU HD23 H 1 0.694 0.006 . . . . . . 22 LEU HD2 . 19707 1 256 . 1 1 22 22 LEU C C 13 178.414 0 . . . . . . 22 LEU C . 19707 1 257 . 1 1 22 22 LEU CA C 13 57.618 0.09 . . . . . . 22 LEU CA . 19707 1 258 . 1 1 22 22 LEU CB C 13 41.885 0.068 . . . . . . 22 LEU CB . 19707 1 259 . 1 1 22 22 LEU CG C 13 27.011 0.061 . . . . . . 22 LEU CG . 19707 1 260 . 1 1 22 22 LEU CD1 C 13 24.303 0.127 . . . . . . 22 LEU CD1 . 19707 1 261 . 1 1 22 22 LEU N N 15 119.427 0.037 . . . . . . 22 LEU N . 19707 1 262 . 1 1 23 23 ALA H H 1 8.462 0.004 . . . . . . 23 ALA H . 19707 1 263 . 1 1 23 23 ALA HA H 1 3.805 0.004 . . . . . . 23 ALA HA . 19707 1 264 . 1 1 23 23 ALA HB1 H 1 1.247 0.003 . . . . . . 23 ALA HB . 19707 1 265 . 1 1 23 23 ALA HB2 H 1 1.247 0.003 . . . . . . 23 ALA HB . 19707 1 266 . 1 1 23 23 ALA HB3 H 1 1.247 0.003 . . . . . . 23 ALA HB . 19707 1 267 . 1 1 23 23 ALA C C 13 178.242 0 . . . . . . 23 ALA C . 19707 1 268 . 1 1 23 23 ALA CA C 13 55.819 0.029 . . . . . . 23 ALA CA . 19707 1 269 . 1 1 23 23 ALA CB C 13 16.817 0.003 . . . . . . 23 ALA CB . 19707 1 270 . 1 1 23 23 ALA N N 15 121.302 0.024 . . . . . . 23 ALA N . 19707 1 271 . 1 1 24 24 SER H H 1 7.76 0.004 . . . . . . 24 SER H . 19707 1 272 . 1 1 24 24 SER HA H 1 4.284 0.004 . . . . . . 24 SER HA . 19707 1 273 . 1 1 24 24 SER HB2 H 1 4.089 0.003 . . . . . . 24 SER HB . 19707 1 274 . 1 1 24 24 SER HB3 H 1 4.089 0.003 . . . . . . 24 SER HB . 19707 1 275 . 1 1 24 24 SER C C 13 177.523 0 . . . . . . 24 SER C . 19707 1 276 . 1 1 24 24 SER CA C 13 62.008 0.018 . . . . . . 24 SER CA . 19707 1 277 . 1 1 24 24 SER CB C 13 62.899 0.026 . . . . . . 24 SER CB . 19707 1 278 . 1 1 24 24 SER N N 15 112.477 0.026 . . . . . . 24 SER N . 19707 1 279 . 1 1 25 25 ILE H H 1 7.907 0.004 . . . . . . 25 ILE H . 19707 1 280 . 1 1 25 25 ILE HA H 1 3.912 0.004 . . . . . . 25 ILE HA . 19707 1 281 . 1 1 25 25 ILE HB H 1 2.032 0.003 . . . . . . 25 ILE HB . 19707 1 282 . 1 1 25 25 ILE HG12 H 1 1.22 0.005 . . . . . . 25 ILE HG12 . 19707 1 283 . 1 1 25 25 ILE HG13 H 1 1.798 0.002 . . . . . . 25 ILE HG13 . 19707 1 284 . 1 1 25 25 ILE HG21 H 1 0.989 0.004 . . . . . . 25 ILE HG2 . 19707 1 285 . 1 1 25 25 ILE HG22 H 1 0.989 0.004 . . . . . . 25 ILE HG2 . 19707 1 286 . 1 1 25 25 ILE HG23 H 1 0.989 0.004 . . . . . . 25 ILE HG2 . 19707 1 287 . 1 1 25 25 ILE HD11 H 1 0.864 0.008 . . . . . . 25 ILE HD1 . 19707 1 288 . 1 1 25 25 ILE HD12 H 1 0.864 0.008 . . . . . . 25 ILE HD1 . 19707 1 289 . 1 1 25 25 ILE HD13 H 1 0.864 0.008 . . . . . . 25 ILE HD1 . 19707 1 290 . 1 1 25 25 ILE C C 13 179.237 0 . . . . . . 25 ILE C . 19707 1 291 . 1 1 25 25 ILE CA C 13 64.743 0.034 . . . . . . 25 ILE CA . 19707 1 292 . 1 1 25 25 ILE CB C 13 38.682 0.054 . . . . . . 25 ILE CB . 19707 1 293 . 1 1 25 25 ILE CG1 C 13 29.185 0.067 . . . . . . 25 ILE CG1 . 19707 1 294 . 1 1 25 25 ILE CG2 C 13 17.291 0.013 . . . . . . 25 ILE CG2 . 19707 1 295 . 1 1 25 25 ILE CD1 C 13 13.839 0.059 . . . . . . 25 ILE CD1 . 19707 1 296 . 1 1 25 25 ILE N N 15 123.986 0.029 . . . . . . 25 ILE N . 19707 1 297 . 1 1 26 26 VAL H H 1 8.874 0.003 . . . . . . 26 VAL H . 19707 1 298 . 1 1 26 26 VAL HA H 1 3.458 0.003 . . . . . . 26 VAL HA . 19707 1 299 . 1 1 26 26 VAL HB H 1 2.282 0.002 . . . . . . 26 VAL HB . 19707 1 300 . 1 1 26 26 VAL HG11 H 1 0.886 0.001 . . . . . . 26 VAL HG1 . 19707 1 301 . 1 1 26 26 VAL HG12 H 1 0.886 0.001 . . . . . . 26 VAL HG1 . 19707 1 302 . 1 1 26 26 VAL HG13 H 1 0.886 0.001 . . . . . . 26 VAL HG1 . 19707 1 303 . 1 1 26 26 VAL HG21 H 1 1.011 0.003 . . . . . . 26 VAL HG2 . 19707 1 304 . 1 1 26 26 VAL HG22 H 1 1.011 0.003 . . . . . . 26 VAL HG2 . 19707 1 305 . 1 1 26 26 VAL HG23 H 1 1.011 0.003 . . . . . . 26 VAL HG2 . 19707 1 306 . 1 1 26 26 VAL C C 13 177.374 0 . . . . . . 26 VAL C . 19707 1 307 . 1 1 26 26 VAL CA C 13 67.665 0.029 . . . . . . 26 VAL CA . 19707 1 308 . 1 1 26 26 VAL CB C 13 30.645 0.065 . . . . . . 26 VAL CB . 19707 1 309 . 1 1 26 26 VAL CG1 C 13 22.612 0.043 . . . . . . 26 VAL CG1 . 19707 1 310 . 1 1 26 26 VAL CG2 C 13 24.093 0.042 . . . . . . 26 VAL CG2 . 19707 1 311 . 1 1 26 26 VAL N N 15 122.638 0.011 . . . . . . 26 VAL N . 19707 1 312 . 1 1 27 27 ASP H H 1 8.789 0.005 . . . . . . 27 ASP H . 19707 1 313 . 1 1 27 27 ASP HA H 1 4.234 0.005 . . . . . . 27 ASP HA . 19707 1 314 . 1 1 27 27 ASP HB2 H 1 2.672 0.003 . . . . . . 27 ASP HB2 . 19707 1 315 . 1 1 27 27 ASP HB3 H 1 3.124 0.003 . . . . . . 27 ASP HB3 . 19707 1 316 . 1 1 27 27 ASP C C 13 177.716 0 . . . . . . 27 ASP C . 19707 1 317 . 1 1 27 27 ASP CA C 13 58.079 0.051 . . . . . . 27 ASP CA . 19707 1 318 . 1 1 27 27 ASP CB C 13 40.604 0.033 . . . . . . 27 ASP CB . 19707 1 319 . 1 1 27 27 ASP N N 15 120.533 0.015 . . . . . . 27 ASP N . 19707 1 320 . 1 1 28 28 SER H H 1 7.669 0.003 . . . . . . 28 SER H . 19707 1 321 . 1 1 28 28 SER HA H 1 4.143 0.004 . . . . . . 28 SER HA . 19707 1 322 . 1 1 28 28 SER HB2 H 1 3.999 0.01 . . . . . . 28 SER HB . 19707 1 323 . 1 1 28 28 SER HB3 H 1 3.999 0.01 . . . . . . 28 SER HB . 19707 1 324 . 1 1 28 28 SER C C 13 177.155 0 . . . . . . 28 SER C . 19707 1 325 . 1 1 28 28 SER CA C 13 61.865 0.117 . . . . . . 28 SER CA . 19707 1 326 . 1 1 28 28 SER CB C 13 62.875 0.048 . . . . . . 28 SER CB . 19707 1 327 . 1 1 28 28 SER N N 15 112.497 0.025 . . . . . . 28 SER N . 19707 1 328 . 1 1 29 29 ARG H H 1 7.839 0.004 . . . . . . 29 ARG H . 19707 1 329 . 1 1 29 29 ARG HA H 1 4.097 0.003 . . . . . . 29 ARG HA . 19707 1 330 . 1 1 29 29 ARG HB2 H 1 1.631 0.006 . . . . . . 29 ARG HB2 . 19707 1 331 . 1 1 29 29 ARG HB3 H 1 1.851 0.007 . . . . . . 29 ARG HB3 . 19707 1 332 . 1 1 29 29 ARG HG2 H 1 0.706 0.003 . . . . . . 29 ARG HG2 . 19707 1 333 . 1 1 29 29 ARG HG3 H 1 1.399 0.003 . . . . . . 29 ARG HG3 . 19707 1 334 . 1 1 29 29 ARG HD2 H 1 2.234 0.003 . . . . . . 29 ARG HD2 . 19707 1 335 . 1 1 29 29 ARG HD3 H 1 2.908 0.001 . . . . . . 29 ARG HD3 . 19707 1 336 . 1 1 29 29 ARG HE H 1 6.598 0.008 . . . . . . 29 ARG HE . 19707 1 337 . 1 1 29 29 ARG C C 13 178.652 0 . . . . . . 29 ARG C . 19707 1 338 . 1 1 29 29 ARG CA C 13 57.024 0.072 . . . . . . 29 ARG CA . 19707 1 339 . 1 1 29 29 ARG CB C 13 30.49 0.072 . . . . . . 29 ARG CB . 19707 1 340 . 1 1 29 29 ARG CG C 13 25.716 0.064 . . . . . . 29 ARG CG . 19707 1 341 . 1 1 29 29 ARG CD C 13 42.6 0.025 . . . . . . 29 ARG CD . 19707 1 342 . 1 1 29 29 ARG N N 15 124.045 0.022 . . . . . . 29 ARG N . 19707 1 343 . 1 1 29 29 ARG NE N 15 115.86 0.06 . . . . . . 29 ARG NE . 19707 1 344 . 1 1 30 30 LEU H H 1 8.735 0.004 . . . . . . 30 LEU H . 19707 1 345 . 1 1 30 30 LEU HA H 1 3.819 0.003 . . . . . . 30 LEU HA . 19707 1 346 . 1 1 30 30 LEU HB2 H 1 1.459 0.004 . . . . . . 30 LEU HB2 . 19707 1 347 . 1 1 30 30 LEU HB3 H 1 1.88 0.003 . . . . . . 30 LEU HB3 . 19707 1 348 . 1 1 30 30 LEU HG H 1 1.603 0.004 . . . . . . 30 LEU HG . 19707 1 349 . 1 1 30 30 LEU HD11 H 1 0.685 0.004 . . . . . . 30 LEU HD1 . 19707 1 350 . 1 1 30 30 LEU HD12 H 1 0.685 0.004 . . . . . . 30 LEU HD1 . 19707 1 351 . 1 1 30 30 LEU HD13 H 1 0.685 0.004 . . . . . . 30 LEU HD1 . 19707 1 352 . 1 1 30 30 LEU HD21 H 1 0.683 0.006 . . . . . . 30 LEU HD2 . 19707 1 353 . 1 1 30 30 LEU HD22 H 1 0.683 0.006 . . . . . . 30 LEU HD2 . 19707 1 354 . 1 1 30 30 LEU HD23 H 1 0.683 0.006 . . . . . . 30 LEU HD2 . 19707 1 355 . 1 1 30 30 LEU C C 13 180.224 0 . . . . . . 30 LEU C . 19707 1 356 . 1 1 30 30 LEU CA C 13 58.063 0.023 . . . . . . 30 LEU CA . 19707 1 357 . 1 1 30 30 LEU CB C 13 41.779 0.04 . . . . . . 30 LEU CB . 19707 1 358 . 1 1 30 30 LEU CG C 13 26.951 0 . . . . . . 30 LEU CG . 19707 1 359 . 1 1 30 30 LEU CD1 C 13 25.942 0.017 . . . . . . 30 LEU CD1 . 19707 1 360 . 1 1 30 30 LEU CD2 C 13 22.25 0.068 . . . . . . 30 LEU CD2 . 19707 1 361 . 1 1 30 30 LEU N N 15 121.68 0.022 . . . . . . 30 LEU N . 19707 1 362 . 1 1 31 31 ILE H H 1 8.296 0.002 . . . . . . 31 ILE H . 19707 1 363 . 1 1 31 31 ILE HA H 1 3.761 0.003 . . . . . . 31 ILE HA . 19707 1 364 . 1 1 31 31 ILE HB H 1 1.786 0.004 . . . . . . 31 ILE HB . 19707 1 365 . 1 1 31 31 ILE HG12 H 1 1.077 0.004 . . . . . . 31 ILE HG12 . 19707 1 366 . 1 1 31 31 ILE HG13 H 1 1.555 0.002 . . . . . . 31 ILE HG13 . 19707 1 367 . 1 1 31 31 ILE HG21 H 1 0.855 0.001 . . . . . . 31 ILE HG2 . 19707 1 368 . 1 1 31 31 ILE HG22 H 1 0.855 0.001 . . . . . . 31 ILE HG2 . 19707 1 369 . 1 1 31 31 ILE HG23 H 1 0.855 0.001 . . . . . . 31 ILE HG2 . 19707 1 370 . 1 1 31 31 ILE HD11 H 1 0.76 0.005 . . . . . . 31 ILE HD1 . 19707 1 371 . 1 1 31 31 ILE HD12 H 1 0.76 0.005 . . . . . . 31 ILE HD1 . 19707 1 372 . 1 1 31 31 ILE HD13 H 1 0.76 0.005 . . . . . . 31 ILE HD1 . 19707 1 373 . 1 1 31 31 ILE C C 13 178.091 0 . . . . . . 31 ILE C . 19707 1 374 . 1 1 31 31 ILE CA C 13 64.262 0.047 . . . . . . 31 ILE CA . 19707 1 375 . 1 1 31 31 ILE CB C 13 38.317 0.036 . . . . . . 31 ILE CB . 19707 1 376 . 1 1 31 31 ILE CG1 C 13 29.045 0.018 . . . . . . 31 ILE CG1 . 19707 1 377 . 1 1 31 31 ILE CG2 C 13 17.074 0.026 . . . . . . 31 ILE CG2 . 19707 1 378 . 1 1 31 31 ILE CD1 C 13 13.115 0.054 . . . . . . 31 ILE CD1 . 19707 1 379 . 1 1 31 31 ILE N N 15 119.43 0.019 . . . . . . 31 ILE N . 19707 1 380 . 1 1 32 32 GLY H H 1 7.837 0.005 . . . . . . 32 GLY H . 19707 1 381 . 1 1 32 32 GLY HA2 H 1 3.905 0.005 . . . . . . 32 GLY HA2 . 19707 1 382 . 1 1 32 32 GLY HA3 H 1 4.055 0.005 . . . . . . 32 GLY HA3 . 19707 1 383 . 1 1 32 32 GLY C C 13 175.163 0 . . . . . . 32 GLY C . 19707 1 384 . 1 1 32 32 GLY CA C 13 46.247 0.032 . . . . . . 32 GLY CA . 19707 1 385 . 1 1 32 32 GLY N N 15 106.192 0.016 . . . . . . 32 GLY N . 19707 1 386 . 1 1 33 33 THR H H 1 8.172 0.004 . . . . . . 33 THR H . 19707 1 387 . 1 1 33 33 THR HA H 1 4.525 0.005 . . . . . . 33 THR HA . 19707 1 388 . 1 1 33 33 THR HB H 1 4.223 0.004 . . . . . . 33 THR HB . 19707 1 389 . 1 1 33 33 THR HG21 H 1 1.12 0.004 . . . . . . 33 THR HG2 . 19707 1 390 . 1 1 33 33 THR HG22 H 1 1.12 0.004 . . . . . . 33 THR HG2 . 19707 1 391 . 1 1 33 33 THR HG23 H 1 1.12 0.004 . . . . . . 33 THR HG2 . 19707 1 392 . 1 1 33 33 THR C C 13 175.464 0 . . . . . . 33 THR C . 19707 1 393 . 1 1 33 33 THR CA C 13 62.782 0.094 . . . . . . 33 THR CA . 19707 1 394 . 1 1 33 33 THR CB C 13 71.037 0.028 . . . . . . 33 THR CB . 19707 1 395 . 1 1 33 33 THR CG2 C 13 21.192 0.298 . . . . . . 33 THR CG2 . 19707 1 396 . 1 1 33 33 THR N N 15 111.066 0.016 . . . . . . 33 THR N . 19707 1 397 . 1 1 34 34 GLY H H 1 8.142 0.003 . . . . . . 34 GLY H . 19707 1 398 . 1 1 34 34 GLY HA2 H 1 3.967 0.009 . . . . . . 34 GLY HA2 . 19707 1 399 . 1 1 34 34 GLY HA3 H 1 4.129 0.009 . . . . . . 34 GLY HA3 . 19707 1 400 . 1 1 34 34 GLY C C 13 173.255 0 . . . . . . 34 GLY C . 19707 1 401 . 1 1 34 34 GLY CA C 13 45.333 0.041 . . . . . . 34 GLY CA . 19707 1 402 . 1 1 34 34 GLY N N 15 110.42 0.027 . . . . . . 34 GLY N . 19707 1 403 . 1 1 35 35 SER H H 1 7.789 0.003 . . . . . . 35 SER H . 19707 1 404 . 1 1 35 35 SER HA H 1 4.455 0.005 . . . . . . 35 SER HA . 19707 1 405 . 1 1 35 35 SER HB2 H 1 3.724 0.004 . . . . . . 35 SER HB . 19707 1 406 . 1 1 35 35 SER HB3 H 1 3.724 0.004 . . . . . . 35 SER HB . 19707 1 407 . 1 1 35 35 SER C C 13 172.287 0 . . . . . . 35 SER C . 19707 1 408 . 1 1 35 35 SER CA C 13 57.544 0.06 . . . . . . 35 SER CA . 19707 1 409 . 1 1 35 35 SER CB C 13 64.779 0.024 . . . . . . 35 SER CB . 19707 1 410 . 1 1 35 35 SER N N 15 113.044 0.013 . . . . . . 35 SER N . 19707 1 411 . 1 1 36 36 VAL H H 1 8.56 0.002 . . . . . . 36 VAL H . 19707 1 412 . 1 1 36 36 VAL HA H 1 4.103 0.005 . . . . . . 36 VAL HA . 19707 1 413 . 1 1 36 36 VAL HB H 1 1.895 0.007 . . . . . . 36 VAL HB . 19707 1 414 . 1 1 36 36 VAL HG11 H 1 0.844 0.001 . . . . . . 36 VAL HG1 . 19707 1 415 . 1 1 36 36 VAL HG12 H 1 0.844 0.001 . . . . . . 36 VAL HG1 . 19707 1 416 . 1 1 36 36 VAL HG13 H 1 0.844 0.001 . . . . . . 36 VAL HG1 . 19707 1 417 . 1 1 36 36 VAL HG21 H 1 0.872 0.001 . . . . . . 36 VAL HG2 . 19707 1 418 . 1 1 36 36 VAL HG22 H 1 0.872 0.001 . . . . . . 36 VAL HG2 . 19707 1 419 . 1 1 36 36 VAL HG23 H 1 0.872 0.001 . . . . . . 36 VAL HG2 . 19707 1 420 . 1 1 36 36 VAL C C 13 172.626 0 . . . . . . 36 VAL C . 19707 1 421 . 1 1 36 36 VAL CA C 13 61.315 0.028 . . . . . . 36 VAL CA . 19707 1 422 . 1 1 36 36 VAL CB C 13 33.702 0.03 . . . . . . 36 VAL CB . 19707 1 423 . 1 1 36 36 VAL CG1 C 13 21.762 0.015 . . . . . . 36 VAL CG1 . 19707 1 424 . 1 1 36 36 VAL N N 15 118.666 0.008 . . . . . . 36 VAL N . 19707 1 425 . 1 1 37 37 ASP H H 1 7.265 0.004 . . . . . . 37 ASP H . 19707 1 426 . 1 1 37 37 ASP HA H 1 4.872 0.004 . . . . . . 37 ASP HA . 19707 1 427 . 1 1 37 37 ASP HB2 H 1 2.758 0.004 . . . . . . 37 ASP HB2 . 19707 1 428 . 1 1 37 37 ASP HB3 H 1 3.103 0.003 . . . . . . 37 ASP HB3 . 19707 1 429 . 1 1 37 37 ASP C C 13 175.556 0 . . . . . . 37 ASP C . 19707 1 430 . 1 1 37 37 ASP CA C 13 51.793 0.06 . . . . . . 37 ASP CA . 19707 1 431 . 1 1 37 37 ASP CB C 13 42.956 0.022 . . . . . . 37 ASP CB . 19707 1 432 . 1 1 37 37 ASP N N 15 121.74 0.014 . . . . . . 37 ASP N . 19707 1 433 . 1 1 38 38 GLU H H 1 8.978 0.003 . . . . . . 38 GLU H . 19707 1 434 . 1 1 38 38 GLU HA H 1 3.727 0.003 . . . . . . 38 GLU HA . 19707 1 435 . 1 1 38 38 GLU HB2 H 1 2.09 0.007 . . . . . . 38 GLU HB2 . 19707 1 436 . 1 1 38 38 GLU HB3 H 1 2.177 0.002 . . . . . . 38 GLU HB3 . 19707 1 437 . 1 1 38 38 GLU HG2 H 1 2.475 0 . . . . . . 38 GLU HG2 . 19707 1 438 . 1 1 38 38 GLU HG3 H 1 2.513 0 . . . . . . 38 GLU HG3 . 19707 1 439 . 1 1 38 38 GLU C C 13 177.503 0 . . . . . . 38 GLU C . 19707 1 440 . 1 1 38 38 GLU CA C 13 60.242 0.02 . . . . . . 38 GLU CA . 19707 1 441 . 1 1 38 38 GLU CB C 13 28.829 0.019 . . . . . . 38 GLU CB . 19707 1 442 . 1 1 38 38 GLU CG C 13 35.192 0 . . . . . . 38 GLU CG . 19707 1 443 . 1 1 38 38 GLU N N 15 120.118 0.012 . . . . . . 38 GLU N . 19707 1 444 . 1 1 39 39 ASP H H 1 8.312 0.003 . . . . . . 39 ASP H . 19707 1 445 . 1 1 39 39 ASP HA H 1 4.316 0.004 . . . . . . 39 ASP HA . 19707 1 446 . 1 1 39 39 ASP HB2 H 1 2.675 0.004 . . . . . . 39 ASP HB2 . 19707 1 447 . 1 1 39 39 ASP HB3 H 1 2.758 0.004 . . . . . . 39 ASP HB3 . 19707 1 448 . 1 1 39 39 ASP C C 13 178.143 0 . . . . . . 39 ASP C . 19707 1 449 . 1 1 39 39 ASP CA C 13 57.614 0.029 . . . . . . 39 ASP CA . 19707 1 450 . 1 1 39 39 ASP CB C 13 39.72 0.032 . . . . . . 39 ASP CB . 19707 1 451 . 1 1 39 39 ASP N N 15 118.768 0.051 . . . . . . 39 ASP N . 19707 1 452 . 1 1 40 40 PHE H H 1 8.107 0.003 . . . . . . 40 PHE H . 19707 1 453 . 1 1 40 40 PHE HA H 1 4.274 0.004 . . . . . . 40 PHE HA . 19707 1 454 . 1 1 40 40 PHE HB2 H 1 3.001 0.003 . . . . . . 40 PHE HB2 . 19707 1 455 . 1 1 40 40 PHE HB3 H 1 3.432 0.003 . . . . . . 40 PHE HB3 . 19707 1 456 . 1 1 40 40 PHE HD1 H 1 7.146 0.001 . . . . . . 40 PHE HD . 19707 1 457 . 1 1 40 40 PHE HD2 H 1 7.146 0.001 . . . . . . 40 PHE HD . 19707 1 458 . 1 1 40 40 PHE HE1 H 1 7.146 0.001 . . . . . . 40 PHE HE . 19707 1 459 . 1 1 40 40 PHE HE2 H 1 7.146 0.001 . . . . . . 40 PHE HE . 19707 1 460 . 1 1 40 40 PHE C C 13 177.679 0 . . . . . . 40 PHE C . 19707 1 461 . 1 1 40 40 PHE CA C 13 60.921 0.013 . . . . . . 40 PHE CA . 19707 1 462 . 1 1 40 40 PHE CB C 13 39.583 0.023 . . . . . . 40 PHE CB . 19707 1 463 . 1 1 40 40 PHE N N 15 119.951 0.012 . . . . . . 40 PHE N . 19707 1 464 . 1 1 41 41 LEU H H 1 7.886 0.002 . . . . . . 41 LEU H . 19707 1 465 . 1 1 41 41 LEU HA H 1 3.592 0.004 . . . . . . 41 LEU HA . 19707 1 466 . 1 1 41 41 LEU HB2 H 1 1.402 0.004 . . . . . . 41 LEU HB2 . 19707 1 467 . 1 1 41 41 LEU HB3 H 1 1.647 0.004 . . . . . . 41 LEU HB3 . 19707 1 468 . 1 1 41 41 LEU HG H 1 1.764 0.004 . . . . . . 41 LEU HG . 19707 1 469 . 1 1 41 41 LEU HD11 H 1 0.711 0.001 . . . . . . 41 LEU HD1 . 19707 1 470 . 1 1 41 41 LEU HD12 H 1 0.711 0.001 . . . . . . 41 LEU HD1 . 19707 1 471 . 1 1 41 41 LEU HD13 H 1 0.711 0.001 . . . . . . 41 LEU HD1 . 19707 1 472 . 1 1 41 41 LEU HD21 H 1 0.716 0.004 . . . . . . 41 LEU HD2 . 19707 1 473 . 1 1 41 41 LEU HD22 H 1 0.716 0.004 . . . . . . 41 LEU HD2 . 19707 1 474 . 1 1 41 41 LEU HD23 H 1 0.716 0.004 . . . . . . 41 LEU HD2 . 19707 1 475 . 1 1 41 41 LEU C C 13 178.688 0 . . . . . . 41 LEU C . 19707 1 476 . 1 1 41 41 LEU CA C 13 57.61 0.047 . . . . . . 41 LEU CA . 19707 1 477 . 1 1 41 41 LEU CB C 13 41.981 0.023 . . . . . . 41 LEU CB . 19707 1 478 . 1 1 41 41 LEU CG C 13 26.699 0.158 . . . . . . 41 LEU CG . 19707 1 479 . 1 1 41 41 LEU CD1 C 13 23.922 0.083 . . . . . . 41 LEU CD1 . 19707 1 480 . 1 1 41 41 LEU CD2 C 13 24.974 0.235 . . . . . . 41 LEU CD2 . 19707 1 481 . 1 1 41 41 LEU N N 15 117.982 0.014 . . . . . . 41 LEU N . 19707 1 482 . 1 1 42 42 ARG H H 1 8.61 0.004 . . . . . . 42 ARG H . 19707 1 483 . 1 1 42 42 ARG HA H 1 3.81 0.004 . . . . . . 42 ARG HA . 19707 1 484 . 1 1 42 42 ARG HB2 H 1 1.898 0.001 . . . . . . 42 ARG HB2 . 19707 1 485 . 1 1 42 42 ARG HB3 H 1 1.979 0.002 . . . . . . 42 ARG HB3 . 19707 1 486 . 1 1 42 42 ARG HG2 H 1 1.677 0.001 . . . . . . 42 ARG HG2 . 19707 1 487 . 1 1 42 42 ARG HG3 H 1 1.745 0.002 . . . . . . 42 ARG HG3 . 19707 1 488 . 1 1 42 42 ARG HD2 H 1 3.24 0 . . . . . . 42 ARG HD2 . 19707 1 489 . 1 1 42 42 ARG HD3 H 1 3.283 0.002 . . . . . . 42 ARG HD3 . 19707 1 490 . 1 1 42 42 ARG HE H 1 7.422 0 . . . . . . 42 ARG HE . 19707 1 491 . 1 1 42 42 ARG C C 13 178.185 0 . . . . . . 42 ARG C . 19707 1 492 . 1 1 42 42 ARG CA C 13 59.721 0.063 . . . . . . 42 ARG CA . 19707 1 493 . 1 1 42 42 ARG CB C 13 30.014 0.04 . . . . . . 42 ARG CB . 19707 1 494 . 1 1 42 42 ARG CG C 13 28.128 0.067 . . . . . . 42 ARG CG . 19707 1 495 . 1 1 42 42 ARG CD C 13 43.477 0.001 . . . . . . 42 ARG CD . 19707 1 496 . 1 1 42 42 ARG N N 15 118.46 0.01 . . . . . . 42 ARG N . 19707 1 497 . 1 1 42 42 ARG NE N 15 116.264 0 . . . . . . 42 ARG NE . 19707 1 498 . 1 1 43 43 GLU H H 1 7.293 0.004 . . . . . . 43 GLU H . 19707 1 499 . 1 1 43 43 GLU HA H 1 4.12 0.003 . . . . . . 43 GLU HA . 19707 1 500 . 1 1 43 43 GLU HB2 H 1 2.035 0.003 . . . . . . 43 GLU HB . 19707 1 501 . 1 1 43 43 GLU HB3 H 1 2.035 0.003 . . . . . . 43 GLU HB . 19707 1 502 . 1 1 43 43 GLU HG2 H 1 2.33 0.002 . . . . . . 43 GLU HG2 . 19707 1 503 . 1 1 43 43 GLU HG3 H 1 2.457 0.003 . . . . . . 43 GLU HG3 . 19707 1 504 . 1 1 43 43 GLU C C 13 177.268 0 . . . . . . 43 GLU C . 19707 1 505 . 1 1 43 43 GLU CA C 13 57.321 0.054 . . . . . . 43 GLU CA . 19707 1 506 . 1 1 43 43 GLU CB C 13 28.791 0 . . . . . . 43 GLU CB . 19707 1 507 . 1 1 43 43 GLU CG C 13 34.713 0 . . . . . . 43 GLU CG . 19707 1 508 . 1 1 43 43 GLU N N 15 115.047 0.017 . . . . . . 43 GLU N . 19707 1 509 . 1 1 44 44 GLN H H 1 7.442 0.003 . . . . . . 44 GLN H . 19707 1 510 . 1 1 44 44 GLN HA H 1 4.176 0.008 . . . . . . 44 GLN HA . 19707 1 511 . 1 1 44 44 GLN HB2 H 1 1.435 0.002 . . . . . . 44 GLN HB2 . 19707 1 512 . 1 1 44 44 GLN HB3 H 1 2.117 0.003 . . . . . . 44 GLN HB3 . 19707 1 513 . 1 1 44 44 GLN HG2 H 1 1.437 0.002 . . . . . . 44 GLN HG2 . 19707 1 514 . 1 1 44 44 GLN HG3 H 1 2.04 0.003 . . . . . . 44 GLN HG3 . 19707 1 515 . 1 1 44 44 GLN HE21 H 1 6.375 0 . . . . . . 44 GLN HE21 . 19707 1 516 . 1 1 44 44 GLN HE22 H 1 6.662 0.002 . . . . . . 44 GLN HE22 . 19707 1 517 . 1 1 44 44 GLN C C 13 176.527 0 . . . . . . 44 GLN C . 19707 1 518 . 1 1 44 44 GLN CA C 13 54.931 0.035 . . . . . . 44 GLN CA . 19707 1 519 . 1 1 44 44 GLN CB C 13 28.62 0.059 . . . . . . 44 GLN CB . 19707 1 520 . 1 1 44 44 GLN CG C 13 32.018 0.046 . . . . . . 44 GLN CG . 19707 1 521 . 1 1 44 44 GLN N N 15 114.209 0.016 . . . . . . 44 GLN N . 19707 1 522 . 1 1 44 44 GLN NE2 N 15 113.996 0.001 . . . . . . 44 GLN NE2 . 19707 1 523 . 1 1 45 45 ILE H H 1 7.305 0.004 . . . . . . 45 ILE H . 19707 1 524 . 1 1 45 45 ILE HA H 1 4.018 0.003 . . . . . . 45 ILE HA . 19707 1 525 . 1 1 45 45 ILE HB H 1 1.812 0.004 . . . . . . 45 ILE HB . 19707 1 526 . 1 1 45 45 ILE HG12 H 1 1.182 0.002 . . . . . . 45 ILE HG12 . 19707 1 527 . 1 1 45 45 ILE HG13 H 1 1.379 0.003 . . . . . . 45 ILE HG13 . 19707 1 528 . 1 1 45 45 ILE HG21 H 1 0.82 0.001 . . . . . . 45 ILE HG2 . 19707 1 529 . 1 1 45 45 ILE HG22 H 1 0.82 0.001 . . . . . . 45 ILE HG2 . 19707 1 530 . 1 1 45 45 ILE HG23 H 1 0.82 0.001 . . . . . . 45 ILE HG2 . 19707 1 531 . 1 1 45 45 ILE HD11 H 1 0.621 0.003 . . . . . . 45 ILE HD1 . 19707 1 532 . 1 1 45 45 ILE HD12 H 1 0.621 0.003 . . . . . . 45 ILE HD1 . 19707 1 533 . 1 1 45 45 ILE HD13 H 1 0.621 0.003 . . . . . . 45 ILE HD1 . 19707 1 534 . 1 1 45 45 ILE C C 13 175.055 0 . . . . . . 45 ILE C . 19707 1 535 . 1 1 45 45 ILE CA C 13 61.255 0.064 . . . . . . 45 ILE CA . 19707 1 536 . 1 1 45 45 ILE CB C 13 38.45 0.052 . . . . . . 45 ILE CB . 19707 1 537 . 1 1 45 45 ILE CG1 C 13 27.157 0.023 . . . . . . 45 ILE CG1 . 19707 1 538 . 1 1 45 45 ILE CG2 C 13 17.764 0.023 . . . . . . 45 ILE CG2 . 19707 1 539 . 1 1 45 45 ILE CD1 C 13 13.488 0.031 . . . . . . 45 ILE CD1 . 19707 1 540 . 1 1 45 45 ILE N N 15 117.57 0.012 . . . . . . 45 ILE N . 19707 1 541 . 1 1 46 46 ARG H H 1 8.406 0.002 . . . . . . 46 ARG H . 19707 1 542 . 1 1 46 46 ARG HA H 1 4.26 0.004 . . . . . . 46 ARG HA . 19707 1 543 . 1 1 46 46 ARG HB2 H 1 1.755 0.005 . . . . . . 46 ARG HB2 . 19707 1 544 . 1 1 46 46 ARG HB3 H 1 1.826 0.007 . . . . . . 46 ARG HB3 . 19707 1 545 . 1 1 46 46 ARG HG2 H 1 1.532 0.001 . . . . . . 46 ARG HG . 19707 1 546 . 1 1 46 46 ARG HG3 H 1 1.532 0.001 . . . . . . 46 ARG HG . 19707 1 547 . 1 1 46 46 ARG HD2 H 1 3.12 0.002 . . . . . . 46 ARG HD . 19707 1 548 . 1 1 46 46 ARG HD3 H 1 3.12 0.002 . . . . . . 46 ARG HD . 19707 1 549 . 1 1 46 46 ARG C C 13 175.742 0 . . . . . . 46 ARG C . 19707 1 550 . 1 1 46 46 ARG CA C 13 56.511 0.034 . . . . . . 46 ARG CA . 19707 1 551 . 1 1 46 46 ARG CB C 13 30.702 0.007 . . . . . . 46 ARG CB . 19707 1 552 . 1 1 46 46 ARG CG C 13 26.935 0.012 . . . . . . 46 ARG CG . 19707 1 553 . 1 1 46 46 ARG CD C 13 43.39 0 . . . . . . 46 ARG CD . 19707 1 554 . 1 1 46 46 ARG N N 15 123.096 0.04 . . . . . . 46 ARG N . 19707 1 555 . 1 1 47 47 ASP H H 1 8.383 0.003 . . . . . . 47 ASP H . 19707 1 556 . 1 1 47 47 ASP HA H 1 4.518 0.005 . . . . . . 47 ASP HA . 19707 1 557 . 1 1 47 47 ASP HB2 H 1 2.712 0.011 . . . . . . 47 ASP HB . 19707 1 558 . 1 1 47 47 ASP HB3 H 1 2.712 0.011 . . . . . . 47 ASP HB . 19707 1 559 . 1 1 47 47 ASP C C 13 175.27 0 . . . . . . 47 ASP C . 19707 1 560 . 1 1 47 47 ASP CA C 13 54.64 0.028 . . . . . . 47 ASP CA . 19707 1 561 . 1 1 47 47 ASP CB C 13 40.407 0.014 . . . . . . 47 ASP CB . 19707 1 562 . 1 1 47 47 ASP N N 15 118.776 0.015 . . . . . . 47 ASP N . 19707 1 563 . 1 1 48 48 ALA H H 1 7.894 0.002 . . . . . . 48 ALA H . 19707 1 564 . 1 1 48 48 ALA HA H 1 4.439 0.003 . . . . . . 48 ALA HA . 19707 1 565 . 1 1 48 48 ALA HB1 H 1 1.327 0.004 . . . . . . 48 ALA HB . 19707 1 566 . 1 1 48 48 ALA HB2 H 1 1.327 0.004 . . . . . . 48 ALA HB . 19707 1 567 . 1 1 48 48 ALA HB3 H 1 1.327 0.004 . . . . . . 48 ALA HB . 19707 1 568 . 1 1 48 48 ALA C C 13 177.045 0 . . . . . . 48 ALA C . 19707 1 569 . 1 1 48 48 ALA CA C 13 52.387 0.252 . . . . . . 48 ALA CA . 19707 1 570 . 1 1 48 48 ALA CB C 13 18.964 0.014 . . . . . . 48 ALA CB . 19707 1 571 . 1 1 48 48 ALA N N 15 121.022 0.013 . . . . . . 48 ALA N . 19707 1 572 . 1 1 49 49 ARG H H 1 7.981 0.005 . . . . . . 49 ARG H . 19707 1 573 . 1 1 49 49 ARG HA H 1 4.412 0.008 . . . . . . 49 ARG HA . 19707 1 574 . 1 1 49 49 ARG HB2 H 1 1.947 0.005 . . . . . . 49 ARG HB2 . 19707 1 575 . 1 1 49 49 ARG HB3 H 1 2.068 0.003 . . . . . . 49 ARG HB3 . 19707 1 576 . 1 1 49 49 ARG HG2 H 1 1.747 0 . . . . . . 49 ARG HG2 . 19707 1 577 . 1 1 49 49 ARG HG3 H 1 1.822 0 . . . . . . 49 ARG HG3 . 19707 1 578 . 1 1 49 49 ARG HD2 H 1 3.238 0 . . . . . . 49 ARG HD . 19707 1 579 . 1 1 49 49 ARG HD3 H 1 3.238 0 . . . . . . 49 ARG HD . 19707 1 580 . 1 1 49 49 ARG C C 13 175.254 0 . . . . . . 49 ARG C . 19707 1 581 . 1 1 49 49 ARG CA C 13 56.659 0.187 . . . . . . 49 ARG CA . 19707 1 582 . 1 1 49 49 ARG CB C 13 31.093 0.017 . . . . . . 49 ARG CB . 19707 1 583 . 1 1 49 49 ARG CG C 13 27.536 0.138 . . . . . . 49 ARG CG . 19707 1 584 . 1 1 49 49 ARG CD C 13 42.71 0.046 . . . . . . 49 ARG CD . 19707 1 585 . 1 1 49 49 ARG N N 15 118.744 0.077 . . . . . . 49 ARG N . 19707 1 586 . 1 1 50 50 TYR H H 1 7.709 0.004 . . . . . . 50 TYR H . 19707 1 587 . 1 1 50 50 TYR HA H 1 5.361 0.005 . . . . . . 50 TYR HA . 19707 1 588 . 1 1 50 50 TYR HB2 H 1 2.508 0.003 . . . . . . 50 TYR HB2 . 19707 1 589 . 1 1 50 50 TYR HB3 H 1 3.205 0.004 . . . . . . 50 TYR HB3 . 19707 1 590 . 1 1 50 50 TYR HD1 H 1 6.73 0 . . . . . . 50 TYR HD . 19707 1 591 . 1 1 50 50 TYR HD2 H 1 6.73 0 . . . . . . 50 TYR HD . 19707 1 592 . 1 1 50 50 TYR HE1 H 1 6.73 0 . . . . . . 50 TYR HE . 19707 1 593 . 1 1 50 50 TYR HE2 H 1 6.73 0 . . . . . . 50 TYR HE . 19707 1 594 . 1 1 50 50 TYR C C 13 173.22 0 . . . . . . 50 TYR C . 19707 1 595 . 1 1 50 50 TYR CA C 13 56.018 0.069 . . . . . . 50 TYR CA . 19707 1 596 . 1 1 50 50 TYR CB C 13 42.263 0.05 . . . . . . 50 TYR CB . 19707 1 597 . 1 1 50 50 TYR N N 15 119.57 0.011 . . . . . . 50 TYR N . 19707 1 598 . 1 1 51 51 ALA H H 1 8.292 0.005 . . . . . . 51 ALA H . 19707 1 599 . 1 1 51 51 ALA HA H 1 5.291 0.004 . . . . . . 51 ALA HA . 19707 1 600 . 1 1 51 51 ALA HB1 H 1 0.978 0.002 . . . . . . 51 ALA HB . 19707 1 601 . 1 1 51 51 ALA HB2 H 1 0.978 0.002 . . . . . . 51 ALA HB . 19707 1 602 . 1 1 51 51 ALA HB3 H 1 0.978 0.002 . . . . . . 51 ALA HB . 19707 1 603 . 1 1 51 51 ALA C C 13 174.078 0 . . . . . . 51 ALA C . 19707 1 604 . 1 1 51 51 ALA CA C 13 50.183 0.022 . . . . . . 51 ALA CA . 19707 1 605 . 1 1 51 51 ALA CB C 13 23.062 0.027 . . . . . . 51 ALA CB . 19707 1 606 . 1 1 51 51 ALA N N 15 127.518 0.01 . . . . . . 51 ALA N . 19707 1 607 . 1 1 52 52 VAL H H 1 8.823 0.004 . . . . . . 52 VAL H . 19707 1 608 . 1 1 52 52 VAL HA H 1 4.737 0.008 . . . . . . 52 VAL HA . 19707 1 609 . 1 1 52 52 VAL HB H 1 1.84 0.005 . . . . . . 52 VAL HB . 19707 1 610 . 1 1 52 52 VAL HG11 H 1 0.702 0.006 . . . . . . 52 VAL HG1 . 19707 1 611 . 1 1 52 52 VAL HG12 H 1 0.702 0.006 . . . . . . 52 VAL HG1 . 19707 1 612 . 1 1 52 52 VAL HG13 H 1 0.702 0.006 . . . . . . 52 VAL HG1 . 19707 1 613 . 1 1 52 52 VAL HG21 H 1 0.834 0.002 . . . . . . 52 VAL HG2 . 19707 1 614 . 1 1 52 52 VAL HG22 H 1 0.834 0.002 . . . . . . 52 VAL HG2 . 19707 1 615 . 1 1 52 52 VAL HG23 H 1 0.834 0.002 . . . . . . 52 VAL HG2 . 19707 1 616 . 1 1 52 52 VAL C C 13 175.186 0 . . . . . . 52 VAL C . 19707 1 617 . 1 1 52 52 VAL CA C 13 60.507 0.074 . . . . . . 52 VAL CA . 19707 1 618 . 1 1 52 52 VAL CB C 13 34.853 0.035 . . . . . . 52 VAL CB . 19707 1 619 . 1 1 52 52 VAL CG1 C 13 21.801 0.075 . . . . . . 52 VAL CG1 . 19707 1 620 . 1 1 52 52 VAL CG2 C 13 21.524 0.106 . . . . . . 52 VAL CG2 . 19707 1 621 . 1 1 52 52 VAL N N 15 117.932 0.012 . . . . . . 52 VAL N . 19707 1 622 . 1 1 53 53 ILE H H 1 9.331 0.004 . . . . . . 53 ILE H . 19707 1 623 . 1 1 53 53 ILE HA H 1 4.912 0.004 . . . . . . 53 ILE HA . 19707 1 624 . 1 1 53 53 ILE HB H 1 1.841 0.003 . . . . . . 53 ILE HB . 19707 1 625 . 1 1 53 53 ILE HG12 H 1 1.215 0.005 . . . . . . 53 ILE HG12 . 19707 1 626 . 1 1 53 53 ILE HG13 H 1 1.376 0.027 . . . . . . 53 ILE HG13 . 19707 1 627 . 1 1 53 53 ILE HG21 H 1 0.79 0.003 . . . . . . 53 ILE HG2 . 19707 1 628 . 1 1 53 53 ILE HG22 H 1 0.79 0.003 . . . . . . 53 ILE HG2 . 19707 1 629 . 1 1 53 53 ILE HG23 H 1 0.79 0.003 . . . . . . 53 ILE HG2 . 19707 1 630 . 1 1 53 53 ILE HD11 H 1 0.745 0.003 . . . . . . 53 ILE HD1 . 19707 1 631 . 1 1 53 53 ILE HD12 H 1 0.745 0.003 . . . . . . 53 ILE HD1 . 19707 1 632 . 1 1 53 53 ILE HD13 H 1 0.745 0.003 . . . . . . 53 ILE HD1 . 19707 1 633 . 1 1 53 53 ILE C C 13 174.86 0 . . . . . . 53 ILE C . 19707 1 634 . 1 1 53 53 ILE CA C 13 59.503 0.036 . . . . . . 53 ILE CA . 19707 1 635 . 1 1 53 53 ILE CB C 13 39.909 0.023 . . . . . . 53 ILE CB . 19707 1 636 . 1 1 53 53 ILE CG1 C 13 28.861 0.024 . . . . . . 53 ILE CG1 . 19707 1 637 . 1 1 53 53 ILE CG2 C 13 18.619 0.029 . . . . . . 53 ILE CG2 . 19707 1 638 . 1 1 53 53 ILE CD1 C 13 14.695 0.057 . . . . . . 53 ILE CD1 . 19707 1 639 . 1 1 53 53 ILE N N 15 128.127 0.019 . . . . . . 53 ILE N . 19707 1 640 . 1 1 54 54 ARG H H 1 8.756 0.004 . . . . . . 54 ARG H . 19707 1 641 . 1 1 54 54 ARG HA H 1 4.823 0.01 . . . . . . 54 ARG HA . 19707 1 642 . 1 1 54 54 ARG HB2 H 1 1.758 0.001 . . . . . . 54 ARG HB . 19707 1 643 . 1 1 54 54 ARG HB3 H 1 1.758 0.001 . . . . . . 54 ARG HB . 19707 1 644 . 1 1 54 54 ARG HG2 H 1 1.412 0 . . . . . . 54 ARG HG2 . 19707 1 645 . 1 1 54 54 ARG HG3 H 1 1.516 0 . . . . . . 54 ARG HG3 . 19707 1 646 . 1 1 54 54 ARG HD2 H 1 3.062 0 . . . . . . 54 ARG HD2 . 19707 1 647 . 1 1 54 54 ARG HD3 H 1 3.137 0 . . . . . . 54 ARG HD3 . 19707 1 648 . 1 1 54 54 ARG C C 13 175.035 0 . . . . . . 54 ARG C . 19707 1 649 . 1 1 54 54 ARG CA C 13 55.01 0.041 . . . . . . 54 ARG CA . 19707 1 650 . 1 1 54 54 ARG CB C 13 30.642 0.014 . . . . . . 54 ARG CB . 19707 1 651 . 1 1 54 54 ARG CD C 13 43.5 0 . . . . . . 54 ARG CD . 19707 1 652 . 1 1 54 54 ARG N N 15 127.985 0.025 . . . . . . 54 ARG N . 19707 1 653 . 1 1 55 55 ILE H H 1 9.362 0.004 . . . . . . 55 ILE H . 19707 1 654 . 1 1 55 55 ILE HA H 1 4.223 0.007 . . . . . . 55 ILE HA . 19707 1 655 . 1 1 55 55 ILE HB H 1 1.603 0.003 . . . . . . 55 ILE HB . 19707 1 656 . 1 1 55 55 ILE HG12 H 1 0.707 0.004 . . . . . . 55 ILE HG12 . 19707 1 657 . 1 1 55 55 ILE HG13 H 1 1.454 0.003 . . . . . . 55 ILE HG13 . 19707 1 658 . 1 1 55 55 ILE HG21 H 1 0.871 0.001 . . . . . . 55 ILE HG2 . 19707 1 659 . 1 1 55 55 ILE HG22 H 1 0.871 0.001 . . . . . . 55 ILE HG2 . 19707 1 660 . 1 1 55 55 ILE HG23 H 1 0.871 0.001 . . . . . . 55 ILE HG2 . 19707 1 661 . 1 1 55 55 ILE HD11 H 1 0.796 0.004 . . . . . . 55 ILE HD1 . 19707 1 662 . 1 1 55 55 ILE HD12 H 1 0.796 0.004 . . . . . . 55 ILE HD1 . 19707 1 663 . 1 1 55 55 ILE HD13 H 1 0.796 0.004 . . . . . . 55 ILE HD1 . 19707 1 664 . 1 1 55 55 ILE CA C 13 58.345 0.106 . . . . . . 55 ILE CA . 19707 1 665 . 1 1 55 55 ILE CB C 13 40.363 0.109 . . . . . . 55 ILE CB . 19707 1 666 . 1 1 55 55 ILE CG1 C 13 29.108 0.084 . . . . . . 55 ILE CG1 . 19707 1 667 . 1 1 55 55 ILE CG2 C 13 17.363 0.021 . . . . . . 55 ILE CG2 . 19707 1 668 . 1 1 55 55 ILE CD1 C 13 14.406 0.044 . . . . . . 55 ILE CD1 . 19707 1 669 . 1 1 55 55 ILE N N 15 130.007 0.032 . . . . . . 55 ILE N . 19707 1 670 . 1 1 56 56 PRO HA H 1 4.262 0.003 . . . . . . 56 PRO HA . 19707 1 671 . 1 1 56 56 PRO HB2 H 1 1.93 0.01 . . . . . . 56 PRO HB2 . 19707 1 672 . 1 1 56 56 PRO HB3 H 1 2.288 0.003 . . . . . . 56 PRO HB3 . 19707 1 673 . 1 1 56 56 PRO HG2 H 1 1.944 0.003 . . . . . . 56 PRO HG2 . 19707 1 674 . 1 1 56 56 PRO HG3 H 1 2.158 0.003 . . . . . . 56 PRO HG3 . 19707 1 675 . 1 1 56 56 PRO HD2 H 1 3.606 0.003 . . . . . . 56 PRO HD2 . 19707 1 676 . 1 1 56 56 PRO HD3 H 1 3.699 0 . . . . . . 56 PRO HD3 . 19707 1 677 . 1 1 56 56 PRO C C 13 177.537 0 . . . . . . 56 PRO C . 19707 1 678 . 1 1 56 56 PRO CA C 13 64.484 0.065 . . . . . . 56 PRO CA . 19707 1 679 . 1 1 56 56 PRO CB C 13 31.663 0.068 . . . . . . 56 PRO CB . 19707 1 680 . 1 1 56 56 PRO CG C 13 27.704 0.027 . . . . . . 56 PRO CG . 19707 1 681 . 1 1 56 56 PRO CD C 13 51.002 0.02 . . . . . . 56 PRO CD . 19707 1 682 . 1 1 57 57 GLY H H 1 8.778 0.002 . . . . . . 57 GLY H . 19707 1 683 . 1 1 57 57 GLY HA2 H 1 3.7 0.004 . . . . . . 57 GLY HA2 . 19707 1 684 . 1 1 57 57 GLY HA3 H 1 4.184 0.004 . . . . . . 57 GLY HA3 . 19707 1 685 . 1 1 57 57 GLY C C 13 173.789 0 . . . . . . 57 GLY C . 19707 1 686 . 1 1 57 57 GLY CA C 13 45.567 0.017 . . . . . . 57 GLY CA . 19707 1 687 . 1 1 57 57 GLY N N 15 111.928 0.033 . . . . . . 57 GLY N . 19707 1 688 . 1 1 58 58 GLN H H 1 7.979 0 . . . . . . 58 GLN H . 19707 1 689 . 1 1 58 58 GLN HA H 1 4.97 0.003 . . . . . . 58 GLN HA . 19707 1 690 . 1 1 58 58 GLN HB2 H 1 1.76 0.001 . . . . . . 58 GLN HB2 . 19707 1 691 . 1 1 58 58 GLN HB3 H 1 2.266 0.004 . . . . . . 58 GLN HB3 . 19707 1 692 . 1 1 58 58 GLN HG2 H 1 2.235 0.001 . . . . . . 58 GLN HG . 19707 1 693 . 1 1 58 58 GLN HG3 H 1 2.235 0.001 . . . . . . 58 GLN HG . 19707 1 694 . 1 1 58 58 GLN HE21 H 1 6.785 0.002 . . . . . . 58 GLN HE21 . 19707 1 695 . 1 1 58 58 GLN HE22 H 1 7.533 0.002 . . . . . . 58 GLN HE22 . 19707 1 696 . 1 1 58 58 GLN CA C 13 53.022 0.02 . . . . . . 58 GLN CA . 19707 1 697 . 1 1 58 58 GLN CB C 13 29.904 0.033 . . . . . . 58 GLN CB . 19707 1 698 . 1 1 58 58 GLN CG C 13 33.243 0.027 . . . . . . 58 GLN CG . 19707 1 699 . 1 1 58 58 GLN N N 15 118.557 0.105 . . . . . . 58 GLN N . 19707 1 700 . 1 1 58 58 GLN NE2 N 15 111.738 0 . . . . . . 58 GLN NE2 . 19707 1 701 . 1 1 59 59 PRO HA H 1 4.506 0.005 . . . . . . 59 PRO HA . 19707 1 702 . 1 1 59 59 PRO HB2 H 1 1.874 0.006 . . . . . . 59 PRO HB2 . 19707 1 703 . 1 1 59 59 PRO HB3 H 1 2.395 0.003 . . . . . . 59 PRO HB3 . 19707 1 704 . 1 1 59 59 PRO HG2 H 1 1.974 0 . . . . . . 59 PRO HG2 . 19707 1 705 . 1 1 59 59 PRO HG3 H 1 2.133 0.004 . . . . . . 59 PRO HG3 . 19707 1 706 . 1 1 59 59 PRO HD2 H 1 3.711 0 . . . . . . 59 PRO HD2 . 19707 1 707 . 1 1 59 59 PRO HD3 H 1 3.819 0 . . . . . . 59 PRO HD3 . 19707 1 708 . 1 1 59 59 PRO C C 13 177.357 0 . . . . . . 59 PRO C . 19707 1 709 . 1 1 59 59 PRO CA C 13 62.805 0.044 . . . . . . 59 PRO CA . 19707 1 710 . 1 1 59 59 PRO CB C 13 31.927 0.078 . . . . . . 59 PRO CB . 19707 1 711 . 1 1 59 59 PRO CG C 13 27.831 0.056 . . . . . . 59 PRO CG . 19707 1 712 . 1 1 59 59 PRO CD C 13 50.79 0.041 . . . . . . 59 PRO CD . 19707 1 713 . 1 1 60 60 VAL H H 1 8.434 0.003 . . . . . . 60 VAL H . 19707 1 714 . 1 1 60 60 VAL HA H 1 4.025 0.004 . . . . . . 60 VAL HA . 19707 1 715 . 1 1 60 60 VAL HB H 1 1.965 0.003 . . . . . . 60 VAL HB . 19707 1 716 . 1 1 60 60 VAL HG11 H 1 0.885 0.002 . . . . . . 60 VAL HG1 . 19707 1 717 . 1 1 60 60 VAL HG12 H 1 0.885 0.002 . . . . . . 60 VAL HG1 . 19707 1 718 . 1 1 60 60 VAL HG13 H 1 0.885 0.002 . . . . . . 60 VAL HG1 . 19707 1 719 . 1 1 60 60 VAL HG21 H 1 0.984 0.003 . . . . . . 60 VAL HG2 . 19707 1 720 . 1 1 60 60 VAL HG22 H 1 0.984 0.003 . . . . . . 60 VAL HG2 . 19707 1 721 . 1 1 60 60 VAL HG23 H 1 0.984 0.003 . . . . . . 60 VAL HG2 . 19707 1 722 . 1 1 60 60 VAL C C 13 175.153 0 . . . . . . 60 VAL C . 19707 1 723 . 1 1 60 60 VAL CA C 13 63.645 0.034 . . . . . . 60 VAL CA . 19707 1 724 . 1 1 60 60 VAL CB C 13 32.392 0.064 . . . . . . 60 VAL CB . 19707 1 725 . 1 1 60 60 VAL CG1 C 13 21.288 0.024 . . . . . . 60 VAL CG1 . 19707 1 726 . 1 1 60 60 VAL CG2 C 13 22.165 0.068 . . . . . . 60 VAL CG2 . 19707 1 727 . 1 1 60 60 VAL N N 15 122.795 0.016 . . . . . . 60 VAL N . 19707 1 728 . 1 1 61 61 VAL H H 1 8.093 0.003 . . . . . . 61 VAL H . 19707 1 729 . 1 1 61 61 VAL HA H 1 4.37 0.003 . . . . . . 61 VAL HA . 19707 1 730 . 1 1 61 61 VAL HB H 1 1.893 0.004 . . . . . . 61 VAL HB . 19707 1 731 . 1 1 61 61 VAL HG11 H 1 0.952 0.007 . . . . . . 61 VAL HG1 . 19707 1 732 . 1 1 61 61 VAL HG12 H 1 0.952 0.007 . . . . . . 61 VAL HG1 . 19707 1 733 . 1 1 61 61 VAL HG13 H 1 0.952 0.007 . . . . . . 61 VAL HG1 . 19707 1 734 . 1 1 61 61 VAL HG21 H 1 0.774 0.002 . . . . . . 61 VAL HG2 . 19707 1 735 . 1 1 61 61 VAL HG22 H 1 0.774 0.002 . . . . . . 61 VAL HG2 . 19707 1 736 . 1 1 61 61 VAL HG23 H 1 0.774 0.002 . . . . . . 61 VAL HG2 . 19707 1 737 . 1 1 61 61 VAL C C 13 173.641 0 . . . . . . 61 VAL C . 19707 1 738 . 1 1 61 61 VAL CA C 13 61.564 0.064 . . . . . . 61 VAL CA . 19707 1 739 . 1 1 61 61 VAL CB C 13 33.948 0.071 . . . . . . 61 VAL CB . 19707 1 740 . 1 1 61 61 VAL CG1 C 13 21.108 0.101 . . . . . . 61 VAL CG1 . 19707 1 741 . 1 1 61 61 VAL N N 15 126.197 0.02 . . . . . . 61 VAL N . 19707 1 742 . 1 1 62 62 GLU H H 1 8.661 0.001 . . . . . . 62 GLU H . 19707 1 743 . 1 1 62 62 GLU HA H 1 5.229 0.004 . . . . . . 62 GLU HA . 19707 1 744 . 1 1 62 62 GLU HB2 H 1 1.913 0.006 . . . . . . 62 GLU HB2 . 19707 1 745 . 1 1 62 62 GLU HB3 H 1 2.033 0.003 . . . . . . 62 GLU HB3 . 19707 1 746 . 1 1 62 62 GLU HG2 H 1 2.217 0.005 . . . . . . 62 GLU HG . 19707 1 747 . 1 1 62 62 GLU HG3 H 1 2.217 0.005 . . . . . . 62 GLU HG . 19707 1 748 . 1 1 62 62 GLU C C 13 175.002 0 . . . . . . 62 GLU C . 19707 1 749 . 1 1 62 62 GLU CA C 13 54.29 0.045 . . . . . . 62 GLU CA . 19707 1 750 . 1 1 62 62 GLU CB C 13 33.05 0.078 . . . . . . 62 GLU CB . 19707 1 751 . 1 1 62 62 GLU CG C 13 36.119 0.065 . . . . . . 62 GLU CG . 19707 1 752 . 1 1 62 62 GLU N N 15 126.197 0.023 . . . . . . 62 GLU N . 19707 1 753 . 1 1 63 63 VAL H H 1 8.802 0.004 . . . . . . 63 VAL H . 19707 1 754 . 1 1 63 63 VAL HA H 1 4.463 0.005 . . . . . . 63 VAL HA . 19707 1 755 . 1 1 63 63 VAL HB H 1 1.859 0.003 . . . . . . 63 VAL HB . 19707 1 756 . 1 1 63 63 VAL HG11 H 1 0.77 0.005 . . . . . . 63 VAL HG1 . 19707 1 757 . 1 1 63 63 VAL HG12 H 1 0.77 0.005 . . . . . . 63 VAL HG1 . 19707 1 758 . 1 1 63 63 VAL HG13 H 1 0.77 0.005 . . . . . . 63 VAL HG1 . 19707 1 759 . 1 1 63 63 VAL HG21 H 1 0.863 0 . . . . . . 63 VAL HG2 . 19707 1 760 . 1 1 63 63 VAL HG22 H 1 0.863 0 . . . . . . 63 VAL HG2 . 19707 1 761 . 1 1 63 63 VAL HG23 H 1 0.863 0 . . . . . . 63 VAL HG2 . 19707 1 762 . 1 1 63 63 VAL C C 13 173.79 0 . . . . . . 63 VAL C . 19707 1 763 . 1 1 63 63 VAL CA C 13 60.583 0.035 . . . . . . 63 VAL CA . 19707 1 764 . 1 1 63 63 VAL CB C 13 35.327 0.012 . . . . . . 63 VAL CB . 19707 1 765 . 1 1 63 63 VAL CG1 C 13 21.008 0.032 . . . . . . 63 VAL CG1 . 19707 1 766 . 1 1 63 63 VAL CG2 C 13 22.086 0 . . . . . . 63 VAL CG2 . 19707 1 767 . 1 1 63 63 VAL N N 15 120.474 0.014 . . . . . . 63 VAL N . 19707 1 768 . 1 1 64 64 GLY H H 1 8.329 0.003 . . . . . . 64 GLY H . 19707 1 769 . 1 1 64 64 GLY HA2 H 1 3.805 0.006 . . . . . . 64 GLY HA2 . 19707 1 770 . 1 1 64 64 GLY HA3 H 1 4.854 0.005 . . . . . . 64 GLY HA3 . 19707 1 771 . 1 1 64 64 GLY C C 13 174.406 0 . . . . . . 64 GLY C . 19707 1 772 . 1 1 64 64 GLY CA C 13 43.927 0.009 . . . . . . 64 GLY CA . 19707 1 773 . 1 1 64 64 GLY N N 15 110.035 0.019 . . . . . . 64 GLY N . 19707 1 774 . 1 1 65 65 THR H H 1 8.193 0.002 . . . . . . 65 THR H . 19707 1 775 . 1 1 65 65 THR HA H 1 4.412 0.004 . . . . . . 65 THR HA . 19707 1 776 . 1 1 65 65 THR HB H 1 3.837 0.003 . . . . . . 65 THR HB . 19707 1 777 . 1 1 65 65 THR HG21 H 1 1.098 0.007 . . . . . . 65 THR HG2 . 19707 1 778 . 1 1 65 65 THR HG22 H 1 1.098 0.007 . . . . . . 65 THR HG2 . 19707 1 779 . 1 1 65 65 THR HG23 H 1 1.098 0.007 . . . . . . 65 THR HG2 . 19707 1 780 . 1 1 65 65 THR C C 13 173.413 0 . . . . . . 65 THR C . 19707 1 781 . 1 1 65 65 THR CA C 13 61.107 0.02 . . . . . . 65 THR CA . 19707 1 782 . 1 1 65 65 THR CB C 13 70.673 0.016 . . . . . . 65 THR CB . 19707 1 783 . 1 1 65 65 THR CG2 C 13 21.539 0.02 . . . . . . 65 THR CG2 . 19707 1 784 . 1 1 65 65 THR N N 15 115.578 0.01 . . . . . . 65 THR N . 19707 1 785 . 1 1 66 66 LYS H H 1 8.542 0.001 . . . . . . 66 LYS H . 19707 1 786 . 1 1 66 66 LYS HA H 1 3 0.003 . . . . . . 66 LYS HA . 19707 1 787 . 1 1 66 66 LYS HB2 H 1 0.999 0.003 . . . . . . 66 LYS HB2 . 19707 1 788 . 1 1 66 66 LYS HB3 H 1 1.337 0.008 . . . . . . 66 LYS HB3 . 19707 1 789 . 1 1 66 66 LYS HG2 H 1 0.684 0.005 . . . . . . 66 LYS HG2 . 19707 1 790 . 1 1 66 66 LYS HG3 H 1 0.948 0.005 . . . . . . 66 LYS HG3 . 19707 1 791 . 1 1 66 66 LYS HD2 H 1 1.407 0.004 . . . . . . 66 LYS HD . 19707 1 792 . 1 1 66 66 LYS HD3 H 1 1.407 0.004 . . . . . . 66 LYS HD . 19707 1 793 . 1 1 66 66 LYS HE2 H 1 2.832 0.002 . . . . . . 66 LYS HE . 19707 1 794 . 1 1 66 66 LYS HE3 H 1 2.832 0.002 . . . . . . 66 LYS HE . 19707 1 795 . 1 1 66 66 LYS CA C 13 54.94 0.054 . . . . . . 66 LYS CA . 19707 1 796 . 1 1 66 66 LYS CB C 13 32.44 0.039 . . . . . . 66 LYS CB . 19707 1 797 . 1 1 66 66 LYS CG C 13 23.983 0.04 . . . . . . 66 LYS CG . 19707 1 798 . 1 1 66 66 LYS CD C 13 29.4 0.02 . . . . . . 66 LYS CD . 19707 1 799 . 1 1 66 66 LYS CE C 13 41.969 0.031 . . . . . . 66 LYS CE . 19707 1 800 . 1 1 66 66 LYS N N 15 130.875 0.033 . . . . . . 66 LYS N . 19707 1 801 . 1 1 67 67 PRO HA H 1 4.481 0.004 . . . . . . 67 PRO HA . 19707 1 802 . 1 1 67 67 PRO HB2 H 1 1.713 0.006 . . . . . . 67 PRO HB2 . 19707 1 803 . 1 1 67 67 PRO HB3 H 1 2.189 0.004 . . . . . . 67 PRO HB3 . 19707 1 804 . 1 1 67 67 PRO HG2 H 1 1.674 0.002 . . . . . . 67 PRO HG2 . 19707 1 805 . 1 1 67 67 PRO HG3 H 1 1.709 0.004 . . . . . . 67 PRO HG3 . 19707 1 806 . 1 1 67 67 PRO HD2 H 1 3.258 0.003 . . . . . . 67 PRO HD2 . 19707 1 807 . 1 1 67 67 PRO HD3 H 1 3.707 0.005 . . . . . . 67 PRO HD3 . 19707 1 808 . 1 1 67 67 PRO C C 13 175.961 0 . . . . . . 67 PRO C . 19707 1 809 . 1 1 67 67 PRO CA C 13 62.316 0.033 . . . . . . 67 PRO CA . 19707 1 810 . 1 1 67 67 PRO CB C 13 32.153 0.022 . . . . . . 67 PRO CB . 19707 1 811 . 1 1 67 67 PRO CG C 13 27.144 0.028 . . . . . . 67 PRO CG . 19707 1 812 . 1 1 67 67 PRO CD C 13 50.504 0.07 . . . . . . 67 PRO CD . 19707 1 813 . 1 1 68 68 THR H H 1 8.161 0.002 . . . . . . 68 THR H . 19707 1 814 . 1 1 68 68 THR HA H 1 4.347 0.004 . . . . . . 68 THR HA . 19707 1 815 . 1 1 68 68 THR HB H 1 4.212 0.006 . . . . . . 68 THR HB . 19707 1 816 . 1 1 68 68 THR HG21 H 1 1.111 0.006 . . . . . . 68 THR HG2 . 19707 1 817 . 1 1 68 68 THR HG22 H 1 1.111 0.006 . . . . . . 68 THR HG2 . 19707 1 818 . 1 1 68 68 THR HG23 H 1 1.111 0.006 . . . . . . 68 THR HG2 . 19707 1 819 . 1 1 68 68 THR C C 13 174.47 0 . . . . . . 68 THR C . 19707 1 820 . 1 1 68 68 THR CA C 13 60.943 0.016 . . . . . . 68 THR CA . 19707 1 821 . 1 1 68 68 THR CB C 13 70.473 0.105 . . . . . . 68 THR CB . 19707 1 822 . 1 1 68 68 THR CG2 C 13 21.541 0.031 . . . . . . 68 THR CG2 . 19707 1 823 . 1 1 68 68 THR N N 15 112.083 0.016 . . . . . . 68 THR N . 19707 1 824 . 1 1 69 69 GLY H H 1 8.189 0.002 . . . . . . 69 GLY H . 19707 1 825 . 1 1 69 69 GLY HA2 H 1 3.872 0.002 . . . . . . 69 GLY HA2 . 19707 1 826 . 1 1 69 69 GLY HA3 H 1 3.948 0.003 . . . . . . 69 GLY HA3 . 19707 1 827 . 1 1 69 69 GLY C C 13 173.533 0 . . . . . . 69 GLY C . 19707 1 828 . 1 1 69 69 GLY CA C 13 44.806 0.009 . . . . . . 69 GLY CA . 19707 1 829 . 1 1 69 69 GLY N N 15 110.018 0.023 . . . . . . 69 GLY N . 19707 1 830 . 1 1 70 70 ASP H H 1 8.514 0 . . . . . . 70 ASP H . 19707 1 831 . 1 1 70 70 ASP HA H 1 4.619 0.005 . . . . . . 70 ASP HA . 19707 1 832 . 1 1 70 70 ASP HB2 H 1 2.58 0.003 . . . . . . 70 ASP HB2 . 19707 1 833 . 1 1 70 70 ASP HB3 H 1 2.667 0.002 . . . . . . 70 ASP HB3 . 19707 1 834 . 1 1 70 70 ASP C C 13 176.401 0 . . . . . . 70 ASP C . 19707 1 835 . 1 1 70 70 ASP CA C 13 54.611 0.036 . . . . . . 70 ASP CA . 19707 1 836 . 1 1 70 70 ASP CB C 13 40.483 0.028 . . . . . . 70 ASP CB . 19707 1 837 . 1 1 70 70 ASP N N 15 123.394 0.014 . . . . . . 70 ASP N . 19707 1 838 . 1 1 71 71 VAL H H 1 8.243 0.002 . . . . . . 71 VAL H . 19707 1 839 . 1 1 71 71 VAL HA H 1 4.777 0.005 . . . . . . 71 VAL HA . 19707 1 840 . 1 1 71 71 VAL HB H 1 1.982 0.003 . . . . . . 71 VAL HB . 19707 1 841 . 1 1 71 71 VAL HG11 H 1 0.669 0.002 . . . . . . 71 VAL HG1 . 19707 1 842 . 1 1 71 71 VAL HG12 H 1 0.669 0.002 . . . . . . 71 VAL HG1 . 19707 1 843 . 1 1 71 71 VAL HG13 H 1 0.669 0.002 . . . . . . 71 VAL HG1 . 19707 1 844 . 1 1 71 71 VAL HG21 H 1 0.687 0.001 . . . . . . 71 VAL HG2 . 19707 1 845 . 1 1 71 71 VAL HG22 H 1 0.687 0.001 . . . . . . 71 VAL HG2 . 19707 1 846 . 1 1 71 71 VAL HG23 H 1 0.687 0.001 . . . . . . 71 VAL HG2 . 19707 1 847 . 1 1 71 71 VAL C C 13 175.742 0 . . . . . . 71 VAL C . 19707 1 848 . 1 1 71 71 VAL CA C 13 60.126 0.063 . . . . . . 71 VAL CA . 19707 1 849 . 1 1 71 71 VAL CB C 13 35.772 0.042 . . . . . . 71 VAL CB . 19707 1 850 . 1 1 71 71 VAL CG1 C 13 18.719 0.017 . . . . . . 71 VAL CG1 . 19707 1 851 . 1 1 71 71 VAL CG2 C 13 21.87 0.03 . . . . . . 71 VAL CG2 . 19707 1 852 . 1 1 71 71 VAL N N 15 117.872 0.016 . . . . . . 71 VAL N . 19707 1 853 . 1 1 72 72 LEU H H 1 8.929 0.003 . . . . . . 72 LEU H . 19707 1 854 . 1 1 72 72 LEU HA H 1 4.706 0.008 . . . . . . 72 LEU HA . 19707 1 855 . 1 1 72 72 LEU HB2 H 1 1.355 0.005 . . . . . . 72 LEU HB2 . 19707 1 856 . 1 1 72 72 LEU HB3 H 1 1.603 0.006 . . . . . . 72 LEU HB3 . 19707 1 857 . 1 1 72 72 LEU HG H 1 1.485 0.002 . . . . . . 72 LEU HG . 19707 1 858 . 1 1 72 72 LEU HD11 H 1 0.799 0.003 . . . . . . 72 LEU HD1 . 19707 1 859 . 1 1 72 72 LEU HD12 H 1 0.799 0.003 . . . . . . 72 LEU HD1 . 19707 1 860 . 1 1 72 72 LEU HD13 H 1 0.799 0.003 . . . . . . 72 LEU HD1 . 19707 1 861 . 1 1 72 72 LEU HD21 H 1 0.842 0.002 . . . . . . 72 LEU HD2 . 19707 1 862 . 1 1 72 72 LEU HD22 H 1 0.842 0.002 . . . . . . 72 LEU HD2 . 19707 1 863 . 1 1 72 72 LEU HD23 H 1 0.842 0.002 . . . . . . 72 LEU HD2 . 19707 1 864 . 1 1 72 72 LEU C C 13 175.939 0 . . . . . . 72 LEU C . 19707 1 865 . 1 1 72 72 LEU CA C 13 53.957 0.035 . . . . . . 72 LEU CA . 19707 1 866 . 1 1 72 72 LEU CB C 13 44.388 0.054 . . . . . . 72 LEU CB . 19707 1 867 . 1 1 72 72 LEU CG C 13 27.349 0.041 . . . . . . 72 LEU CG . 19707 1 868 . 1 1 72 72 LEU CD1 C 13 26.448 0.118 . . . . . . 72 LEU CD1 . 19707 1 869 . 1 1 72 72 LEU CD2 C 13 23.61 0.039 . . . . . . 72 LEU CD2 . 19707 1 870 . 1 1 72 72 LEU N N 15 123.535 0.021 . . . . . . 72 LEU N . 19707 1 871 . 1 1 73 73 GLN H H 1 9.266 0.002 . . . . . . 73 GLN H . 19707 1 872 . 1 1 73 73 GLN HA H 1 5.415 0.005 . . . . . . 73 GLN HA . 19707 1 873 . 1 1 73 73 GLN HB2 H 1 1.846 0.003 . . . . . . 73 GLN HB2 . 19707 1 874 . 1 1 73 73 GLN HB3 H 1 2.009 0.003 . . . . . . 73 GLN HB3 . 19707 1 875 . 1 1 73 73 GLN HG2 H 1 2.145 0.004 . . . . . . 73 GLN HG2 . 19707 1 876 . 1 1 73 73 GLN HG3 H 1 2.326 0.003 . . . . . . 73 GLN HG3 . 19707 1 877 . 1 1 73 73 GLN HE21 H 1 6.879 0.001 . . . . . . 73 GLN HE21 . 19707 1 878 . 1 1 73 73 GLN HE22 H 1 7.425 0.001 . . . . . . 73 GLN HE22 . 19707 1 879 . 1 1 73 73 GLN C C 13 174.999 0 . . . . . . 73 GLN C . 19707 1 880 . 1 1 73 73 GLN CA C 13 54.083 0.05 . . . . . . 73 GLN CA . 19707 1 881 . 1 1 73 73 GLN CB C 13 32.52 0.066 . . . . . . 73 GLN CB . 19707 1 882 . 1 1 73 73 GLN CG C 13 34.581 0.138 . . . . . . 73 GLN CG . 19707 1 883 . 1 1 73 73 GLN N N 15 119.62 0.018 . . . . . . 73 GLN N . 19707 1 884 . 1 1 73 73 GLN NE2 N 15 111.789 0 . . . . . . 73 GLN NE2 . 19707 1 885 . 1 1 74 74 GLY H H 1 9.443 0.002 . . . . . . 74 GLY H . 19707 1 886 . 1 1 74 74 GLY HA2 H 1 3.28 0.003 . . . . . . 74 GLY HA2 . 19707 1 887 . 1 1 74 74 GLY HA3 H 1 4.858 0.004 . . . . . . 74 GLY HA3 . 19707 1 888 . 1 1 74 74 GLY C C 13 171.822 0 . . . . . . 74 GLY C . 19707 1 889 . 1 1 74 74 GLY CA C 13 44.047 0.057 . . . . . . 74 GLY CA . 19707 1 890 . 1 1 74 74 GLY N N 15 113.613 0.027 . . . . . . 74 GLY N . 19707 1 891 . 1 1 75 75 ARG H H 1 8.685 0.002 . . . . . . 75 ARG H . 19707 1 892 . 1 1 75 75 ARG HA H 1 5.572 0.004 . . . . . . 75 ARG HA . 19707 1 893 . 1 1 75 75 ARG HB2 H 1 1.606 0.005 . . . . . . 75 ARG HB2 . 19707 1 894 . 1 1 75 75 ARG HB3 H 1 1.78 0.004 . . . . . . 75 ARG HB3 . 19707 1 895 . 1 1 75 75 ARG HG2 H 1 1.488 0.001 . . . . . . 75 ARG HG . 19707 1 896 . 1 1 75 75 ARG HG3 H 1 1.488 0.001 . . . . . . 75 ARG HG . 19707 1 897 . 1 1 75 75 ARG HD2 H 1 3.122 0.002 . . . . . . 75 ARG HD . 19707 1 898 . 1 1 75 75 ARG HD3 H 1 3.122 0.002 . . . . . . 75 ARG HD . 19707 1 899 . 1 1 75 75 ARG C C 13 175.098 0 . . . . . . 75 ARG C . 19707 1 900 . 1 1 75 75 ARG CA C 13 54.508 0.042 . . . . . . 75 ARG CA . 19707 1 901 . 1 1 75 75 ARG CB C 13 34.568 0.029 . . . . . . 75 ARG CB . 19707 1 902 . 1 1 75 75 ARG CG C 13 28.24 0.034 . . . . . . 75 ARG CG . 19707 1 903 . 1 1 75 75 ARG CD C 13 43.464 0.025 . . . . . . 75 ARG CD . 19707 1 904 . 1 1 75 75 ARG N N 15 122.579 0.024 . . . . . . 75 ARG N . 19707 1 905 . 1 1 76 76 ALA H H 1 8.66 0.007 . . . . . . 76 ALA H . 19707 1 906 . 1 1 76 76 ALA HA H 1 4.606 0.003 . . . . . . 76 ALA HA . 19707 1 907 . 1 1 76 76 ALA HB1 H 1 1.228 0.004 . . . . . . 76 ALA HB . 19707 1 908 . 1 1 76 76 ALA HB2 H 1 1.228 0.004 . . . . . . 76 ALA HB . 19707 1 909 . 1 1 76 76 ALA HB3 H 1 1.228 0.004 . . . . . . 76 ALA HB . 19707 1 910 . 1 1 76 76 ALA C C 13 175.454 0 . . . . . . 76 ALA C . 19707 1 911 . 1 1 76 76 ALA CA C 13 51.777 0.021 . . . . . . 76 ALA CA . 19707 1 912 . 1 1 76 76 ALA CB C 13 22.775 0.015 . . . . . . 76 ALA CB . 19707 1 913 . 1 1 76 76 ALA N N 15 122.446 0.04 . . . . . . 76 ALA N . 19707 1 914 . 1 1 77 77 THR H H 1 8.561 0.001 . . . . . . 77 THR H . 19707 1 915 . 1 1 77 77 THR HA H 1 5.058 0.005 . . . . . . 77 THR HA . 19707 1 916 . 1 1 77 77 THR HB H 1 3.909 0.004 . . . . . . 77 THR HB . 19707 1 917 . 1 1 77 77 THR HG21 H 1 1.206 0.005 . . . . . . 77 THR HG2 . 19707 1 918 . 1 1 77 77 THR HG22 H 1 1.206 0.005 . . . . . . 77 THR HG2 . 19707 1 919 . 1 1 77 77 THR HG23 H 1 1.206 0.005 . . . . . . 77 THR HG2 . 19707 1 920 . 1 1 77 77 THR C C 13 175.55 0 . . . . . . 77 THR C . 19707 1 921 . 1 1 77 77 THR CA C 13 61.094 0.028 . . . . . . 77 THR CA . 19707 1 922 . 1 1 77 77 THR CB C 13 70.462 0.026 . . . . . . 77 THR CB . 19707 1 923 . 1 1 77 77 THR CG2 C 13 21.211 0.057 . . . . . . 77 THR CG2 . 19707 1 924 . 1 1 77 77 THR N N 15 117.061 0.017 . . . . . . 77 THR N . 19707 1 925 . 1 1 78 78 GLY H H 1 8.719 0.002 . . . . . . 78 GLY H . 19707 1 926 . 1 1 78 78 GLY HA2 H 1 3.826 0.004 . . . . . . 78 GLY HA2 . 19707 1 927 . 1 1 78 78 GLY HA3 H 1 4.547 0.009 . . . . . . 78 GLY HA3 . 19707 1 928 . 1 1 78 78 GLY C C 13 175.317 0 . . . . . . 78 GLY C . 19707 1 929 . 1 1 78 78 GLY CA C 13 44.059 0.015 . . . . . . 78 GLY CA . 19707 1 930 . 1 1 78 78 GLY N N 15 111.203 0.034 . . . . . . 78 GLY N . 19707 1 931 . 1 1 79 79 GLU H H 1 10.445 0.004 . . . . . . 79 GLU H . 19707 1 932 . 1 1 79 79 GLU HA H 1 4.066 0.003 . . . . . . 79 GLU HA . 19707 1 933 . 1 1 79 79 GLU HB2 H 1 1.911 0.009 . . . . . . 79 GLU HB2 . 19707 1 934 . 1 1 79 79 GLU HB3 H 1 2.03 0.005 . . . . . . 79 GLU HB3 . 19707 1 935 . 1 1 79 79 GLU HG2 H 1 2.373 0.005 . . . . . . 79 GLU HG2 . 19707 1 936 . 1 1 79 79 GLU HG3 H 1 2.471 0.006 . . . . . . 79 GLU HG3 . 19707 1 937 . 1 1 79 79 GLU C C 13 178.216 0 . . . . . . 79 GLU C . 19707 1 938 . 1 1 79 79 GLU CA C 13 58.209 0.015 . . . . . . 79 GLU CA . 19707 1 939 . 1 1 79 79 GLU CB C 13 28.817 0.037 . . . . . . 79 GLU CB . 19707 1 940 . 1 1 79 79 GLU CG C 13 34.649 0 . . . . . . 79 GLU CG . 19707 1 941 . 1 1 79 79 GLU N N 15 123.523 0.013 . . . . . . 79 GLU N . 19707 1 942 . 1 1 80 80 GLU H H 1 7.749 0.004 . . . . . . 80 GLU H . 19707 1 943 . 1 1 80 80 GLU HA H 1 4.428 0.004 . . . . . . 80 GLU HA . 19707 1 944 . 1 1 80 80 GLU HB2 H 1 2.044 0.003 . . . . . . 80 GLU HB2 . 19707 1 945 . 1 1 80 80 GLU HB3 H 1 2.37 0.04 . . . . . . 80 GLU HB3 . 19707 1 946 . 1 1 80 80 GLU HG2 H 1 2.286 0 . . . . . . 80 GLU HG2 . 19707 1 947 . 1 1 80 80 GLU HG3 H 1 2.427 0.008 . . . . . . 80 GLU HG3 . 19707 1 948 . 1 1 80 80 GLU C C 13 176.043 0 . . . . . . 80 GLU C . 19707 1 949 . 1 1 80 80 GLU CA C 13 54.526 0.046 . . . . . . 80 GLU CA . 19707 1 950 . 1 1 80 80 GLU CB C 13 27.481 0.027 . . . . . . 80 GLU CB . 19707 1 951 . 1 1 80 80 GLU CG C 13 33.345 0.057 . . . . . . 80 GLU CG . 19707 1 952 . 1 1 80 80 GLU N N 15 113.946 0.02 . . . . . . 80 GLU N . 19707 1 953 . 1 1 81 81 GLY H H 1 7.546 0.003 . . . . . . 81 GLY H . 19707 1 954 . 1 1 81 81 GLY HA2 H 1 3.501 0.003 . . . . . . 81 GLY HA2 . 19707 1 955 . 1 1 81 81 GLY HA3 H 1 4.16 0.011 . . . . . . 81 GLY HA3 . 19707 1 956 . 1 1 81 81 GLY C C 13 173.177 0 . . . . . . 81 GLY C . 19707 1 957 . 1 1 81 81 GLY CA C 13 45.362 0.018 . . . . . . 81 GLY CA . 19707 1 958 . 1 1 81 81 GLY N N 15 105.593 0.014 . . . . . . 81 GLY N . 19707 1 959 . 1 1 82 82 GLU H H 1 9.655 0.002 . . . . . . 82 GLU H . 19707 1 960 . 1 1 82 82 GLU HA H 1 5.024 0.005 . . . . . . 82 GLU HA . 19707 1 961 . 1 1 82 82 GLU HB2 H 1 1.768 0.005 . . . . . . 82 GLU HB2 . 19707 1 962 . 1 1 82 82 GLU HB3 H 1 1.878 0.004 . . . . . . 82 GLU HB3 . 19707 1 963 . 1 1 82 82 GLU HG2 H 1 2.201 0 . . . . . . 82 GLU HG . 19707 1 964 . 1 1 82 82 GLU HG3 H 1 2.201 0 . . . . . . 82 GLU HG . 19707 1 965 . 1 1 82 82 GLU C C 13 173.754 0 . . . . . . 82 GLU C . 19707 1 966 . 1 1 82 82 GLU CA C 13 54.071 0.315 . . . . . . 82 GLU CA . 19707 1 967 . 1 1 82 82 GLU CB C 13 28.816 0.013 . . . . . . 82 GLU CB . 19707 1 968 . 1 1 82 82 GLU CG C 13 32.286 0 . . . . . . 82 GLU CG . 19707 1 969 . 1 1 82 82 GLU N N 15 122.26 0.008 . . . . . . 82 GLU N . 19707 1 970 . 1 1 83 83 THR H H 1 8.56 0.002 . . . . . . 83 THR H . 19707 1 971 . 1 1 83 83 THR HA H 1 5.06 0.004 . . . . . . 83 THR HA . 19707 1 972 . 1 1 83 83 THR HB H 1 4.229 0.007 . . . . . . 83 THR HB . 19707 1 973 . 1 1 83 83 THR HG21 H 1 1.23 0.002 . . . . . . 83 THR HG2 . 19707 1 974 . 1 1 83 83 THR HG22 H 1 1.23 0.002 . . . . . . 83 THR HG2 . 19707 1 975 . 1 1 83 83 THR HG23 H 1 1.23 0.002 . . . . . . 83 THR HG2 . 19707 1 976 . 1 1 83 83 THR C C 13 173.659 0 . . . . . . 83 THR C . 19707 1 977 . 1 1 83 83 THR CA C 13 60.707 0.034 . . . . . . 83 THR CA . 19707 1 978 . 1 1 83 83 THR CB C 13 71.021 0.053 . . . . . . 83 THR CB . 19707 1 979 . 1 1 83 83 THR CG2 C 13 21.7 0 . . . . . . 83 THR CG2 . 19707 1 980 . 1 1 83 83 THR N N 15 114.856 0.023 . . . . . . 83 THR N . 19707 1 981 . 1 1 84 84 VAL H H 1 9.071 0.003 . . . . . . 84 VAL H . 19707 1 982 . 1 1 84 84 VAL HA H 1 4.725 0.005 . . . . . . 84 VAL HA . 19707 1 983 . 1 1 84 84 VAL HB H 1 1.938 0.003 . . . . . . 84 VAL HB . 19707 1 984 . 1 1 84 84 VAL HG11 H 1 0.786 0.001 . . . . . . 84 VAL HG1 . 19707 1 985 . 1 1 84 84 VAL HG12 H 1 0.786 0.001 . . . . . . 84 VAL HG1 . 19707 1 986 . 1 1 84 84 VAL HG13 H 1 0.786 0.001 . . . . . . 84 VAL HG1 . 19707 1 987 . 1 1 84 84 VAL HG21 H 1 0.875 0 . . . . . . 84 VAL HG2 . 19707 1 988 . 1 1 84 84 VAL HG22 H 1 0.875 0 . . . . . . 84 VAL HG2 . 19707 1 989 . 1 1 84 84 VAL HG23 H 1 0.875 0 . . . . . . 84 VAL HG2 . 19707 1 990 . 1 1 84 84 VAL C C 13 173.712 0 . . . . . . 84 VAL C . 19707 1 991 . 1 1 84 84 VAL CA C 13 61.047 0.081 . . . . . . 84 VAL CA . 19707 1 992 . 1 1 84 84 VAL CB C 13 34.974 0.01 . . . . . . 84 VAL CB . 19707 1 993 . 1 1 84 84 VAL CG1 C 13 21.894 0 . . . . . . 84 VAL CG1 . 19707 1 994 . 1 1 84 84 VAL CG2 C 13 20.511 0.008 . . . . . . 84 VAL CG2 . 19707 1 995 . 1 1 84 84 VAL N N 15 122.739 0.017 . . . . . . 84 VAL N . 19707 1 996 . 1 1 85 85 LEU H H 1 8.68 0.003 . . . . . . 85 LEU H . 19707 1 997 . 1 1 85 85 LEU HA H 1 5.462 0.005 . . . . . . 85 LEU HA . 19707 1 998 . 1 1 85 85 LEU HB2 H 1 1.505 0.002 . . . . . . 85 LEU HB2 . 19707 1 999 . 1 1 85 85 LEU HB3 H 1 1.745 0.003 . . . . . . 85 LEU HB3 . 19707 1 1000 . 1 1 85 85 LEU HG H 1 1.42 0.004 . . . . . . 85 LEU HG . 19707 1 1001 . 1 1 85 85 LEU HD11 H 1 0.91 0.012 . . . . . . 85 LEU HD1 . 19707 1 1002 . 1 1 85 85 LEU HD12 H 1 0.91 0.012 . . . . . . 85 LEU HD1 . 19707 1 1003 . 1 1 85 85 LEU HD13 H 1 0.91 0.012 . . . . . . 85 LEU HD1 . 19707 1 1004 . 1 1 85 85 LEU HD21 H 1 0.88 0.002 . . . . . . 85 LEU HD2 . 19707 1 1005 . 1 1 85 85 LEU HD22 H 1 0.88 0.002 . . . . . . 85 LEU HD2 . 19707 1 1006 . 1 1 85 85 LEU HD23 H 1 0.88 0.002 . . . . . . 85 LEU HD2 . 19707 1 1007 . 1 1 85 85 LEU C C 13 175.096 0 . . . . . . 85 LEU C . 19707 1 1008 . 1 1 85 85 LEU CA C 13 53.547 0.027 . . . . . . 85 LEU CA . 19707 1 1009 . 1 1 85 85 LEU CB C 13 45.265 0.028 . . . . . . 85 LEU CB . 19707 1 1010 . 1 1 85 85 LEU CG C 13 28.169 0.104 . . . . . . 85 LEU CG . 19707 1 1011 . 1 1 85 85 LEU CD1 C 13 24.041 0.052 . . . . . . 85 LEU CD1 . 19707 1 1012 . 1 1 85 85 LEU CD2 C 13 25.445 0.059 . . . . . . 85 LEU CD2 . 19707 1 1013 . 1 1 85 85 LEU N N 15 130.003 0.03 . . . . . . 85 LEU N . 19707 1 1014 . 1 1 86 86 VAL H H 1 9.298 0.003 . . . . . . 86 VAL H . 19707 1 1015 . 1 1 86 86 VAL HA H 1 5.111 0.005 . . . . . . 86 VAL HA . 19707 1 1016 . 1 1 86 86 VAL HB H 1 1.853 0.005 . . . . . . 86 VAL HB . 19707 1 1017 . 1 1 86 86 VAL HG11 H 1 0.847 0.062 . . . . . . 86 VAL HG1 . 19707 1 1018 . 1 1 86 86 VAL HG12 H 1 0.847 0.062 . . . . . . 86 VAL HG1 . 19707 1 1019 . 1 1 86 86 VAL HG13 H 1 0.847 0.062 . . . . . . 86 VAL HG1 . 19707 1 1020 . 1 1 86 86 VAL HG21 H 1 0.913 0 . . . . . . 86 VAL HG2 . 19707 1 1021 . 1 1 86 86 VAL HG22 H 1 0.913 0 . . . . . . 86 VAL HG2 . 19707 1 1022 . 1 1 86 86 VAL HG23 H 1 0.913 0 . . . . . . 86 VAL HG2 . 19707 1 1023 . 1 1 86 86 VAL C C 13 175.32 0 . . . . . . 86 VAL C . 19707 1 1024 . 1 1 86 86 VAL CA C 13 59.95 0.064 . . . . . . 86 VAL CA . 19707 1 1025 . 1 1 86 86 VAL CB C 13 35.025 0.015 . . . . . . 86 VAL CB . 19707 1 1026 . 1 1 86 86 VAL CG1 C 13 21.68 0 . . . . . . 86 VAL CG1 . 19707 1 1027 . 1 1 86 86 VAL N N 15 122.878 0.018 . . . . . . 86 VAL N . 19707 1 1028 . 1 1 87 87 GLU H H 1 8.921 0.004 . . . . . . 87 GLU H . 19707 1 1029 . 1 1 87 87 GLU HA H 1 5.801 0.004 . . . . . . 87 GLU HA . 19707 1 1030 . 1 1 87 87 GLU HB2 H 1 1.959 0.004 . . . . . . 87 GLU HB2 . 19707 1 1031 . 1 1 87 87 GLU HB3 H 1 2.008 0.006 . . . . . . 87 GLU HB3 . 19707 1 1032 . 1 1 87 87 GLU HG2 H 1 2.4 0.003 . . . . . . 87 GLU HG . 19707 1 1033 . 1 1 87 87 GLU HG3 H 1 2.4 0.003 . . . . . . 87 GLU HG . 19707 1 1034 . 1 1 87 87 GLU C C 13 175.017 0 . . . . . . 87 GLU C . 19707 1 1035 . 1 1 87 87 GLU CA C 13 54.099 0.05 . . . . . . 87 GLU CA . 19707 1 1036 . 1 1 87 87 GLU CB C 13 33.874 0.112 . . . . . . 87 GLU CB . 19707 1 1037 . 1 1 87 87 GLU CG C 13 34.487 0.035 . . . . . . 87 GLU CG . 19707 1 1038 . 1 1 87 87 GLU N N 15 120.537 0.014 . . . . . . 87 GLU N . 19707 1 1039 . 1 1 88 88 GLU H H 1 8.45 0.004 . . . . . . 88 GLU H . 19707 1 1040 . 1 1 88 88 GLU HA H 1 5.071 0.005 . . . . . . 88 GLU HA . 19707 1 1041 . 1 1 88 88 GLU HB2 H 1 1.794 0.004 . . . . . . 88 GLU HB2 . 19707 1 1042 . 1 1 88 88 GLU HB3 H 1 2.131 0.003 . . . . . . 88 GLU HB3 . 19707 1 1043 . 1 1 88 88 GLU HG2 H 1 2.328 0.003 . . . . . . 88 GLU HG . 19707 1 1044 . 1 1 88 88 GLU HG3 H 1 2.328 0.003 . . . . . . 88 GLU HG . 19707 1 1045 . 1 1 88 88 GLU CA C 13 52.667 0.056 . . . . . . 88 GLU CA . 19707 1 1046 . 1 1 88 88 GLU CB C 13 32.697 0.077 . . . . . . 88 GLU CB . 19707 1 1047 . 1 1 88 88 GLU CG C 13 33.992 0.004 . . . . . . 88 GLU CG . 19707 1 1048 . 1 1 88 88 GLU N N 15 118.625 0.018 . . . . . . 88 GLU N . 19707 1 1049 . 1 1 89 89 PRO HA H 1 4.599 0.004 . . . . . . 89 PRO HA . 19707 1 1050 . 1 1 89 89 PRO HB2 H 1 2.023 0.003 . . . . . . 89 PRO HB2 . 19707 1 1051 . 1 1 89 89 PRO HB3 H 1 2.412 0.003 . . . . . . 89 PRO HB3 . 19707 1 1052 . 1 1 89 89 PRO HG2 H 1 1.977 0.001 . . . . . . 89 PRO HG2 . 19707 1 1053 . 1 1 89 89 PRO HG3 H 1 2.178 0.003 . . . . . . 89 PRO HG3 . 19707 1 1054 . 1 1 89 89 PRO HD2 H 1 3.625 0 . . . . . . 89 PRO HD2 . 19707 1 1055 . 1 1 89 89 PRO HD3 H 1 3.836 0.001 . . . . . . 89 PRO HD3 . 19707 1 1056 . 1 1 89 89 PRO C C 13 175.524 0 . . . . . . 89 PRO C . 19707 1 1057 . 1 1 89 89 PRO CA C 13 63.131 0.078 . . . . . . 89 PRO CA . 19707 1 1058 . 1 1 89 89 PRO CB C 13 32.084 0.102 . . . . . . 89 PRO CB . 19707 1 1059 . 1 1 89 89 PRO CG C 13 27.607 0.086 . . . . . . 89 PRO CG . 19707 1 1060 . 1 1 89 89 PRO CD C 13 50.78 0.046 . . . . . . 89 PRO CD . 19707 1 1061 . 1 1 90 90 ARG H H 1 7.928 0.002 . . . . . . 90 ARG H . 19707 1 1062 . 1 1 90 90 ARG HA H 1 3.948 0.003 . . . . . . 90 ARG HA . 19707 1 1063 . 1 1 90 90 ARG HB2 H 1 1.426 0.004 . . . . . . 90 ARG HB2 . 19707 1 1064 . 1 1 90 90 ARG HB3 H 1 1.598 0.006 . . . . . . 90 ARG HB3 . 19707 1 1065 . 1 1 90 90 ARG HG2 H 1 1.52 0 . . . . . . 90 ARG HG . 19707 1 1066 . 1 1 90 90 ARG HG3 H 1 1.52 0 . . . . . . 90 ARG HG . 19707 1 1067 . 1 1 90 90 ARG HD2 H 1 3.128 0.002 . . . . . . 90 ARG HD . 19707 1 1068 . 1 1 90 90 ARG HD3 H 1 3.128 0.002 . . . . . . 90 ARG HD . 19707 1 1069 . 1 1 90 90 ARG CA C 13 58.354 0.051 . . . . . . 90 ARG CA . 19707 1 1070 . 1 1 90 90 ARG CB C 13 31.311 0.03 . . . . . . 90 ARG CB . 19707 1 1071 . 1 1 90 90 ARG CG C 13 27.912 0.028 . . . . . . 90 ARG CG . 19707 1 1072 . 1 1 90 90 ARG CD C 13 43.627 0.014 . . . . . . 90 ARG CD . 19707 1 1073 . 1 1 90 90 ARG N N 15 127.183 0.024 . . . . . . 90 ARG N . 19707 1 stop_ save_