data_18475 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18475 _Entry.Title ; The solution structure of Phage P2 gpX ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-05-22 _Entry.Accession_date 2012-05-22 _Entry.Last_release_date . _Entry.Original_release_date . _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 NMR' _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 Karen Maxwell . L. . 18475 2 Diane Bona . . . 18475 3 Tom Chang . L. . 18475 4 Aled Edwards . M. . 18475 5 Alan Davidson . R. . 18475 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' . 18475 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID LysM . 18475 'Phage P2' . 18475 'phage tail' . 18475 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18475 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 208 18475 '15N chemical shifts' 68 18475 '1H chemical shifts' 462 18475 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-02-24 2012-05-22 update BMRB 'update entry citation' 18475 1 . . 2013-05-20 2012-05-22 original author 'original release' 18475 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LTF 'BMRB Entry Tracking System' 18475 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18475 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24097944 _Citation.Full_citation . _Citation.Title 'Structural and functional studies of gpX of Escherichia coli phage P2 reveal a widespread role for LysM domains in the baseplates of contractile-tailed phages.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Bacteriol.' _Citation.Journal_name_full 'Journal of bacteriology' _Citation.Journal_volume 195 _Citation.Journal_issue 24 _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 5461 _Citation.Page_last 5468 _Citation.Year 2013 _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 Karen Maxwell . L. . 18475 1 2 Mostafa 'Fatehi Hassanabad' . . . 18475 1 3 Tom Chang . . . 18475 1 4 Nawaz Pirani . . . 18475 1 5 Diane Bona . . . 18475 1 6 Aled Edwards . M. . 18475 1 7 Alan Davidson . R. . 18475 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18475 _Assembly.ID 1 _Assembly.Name P2_gpX _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 P2_gpX 1 $P2_gpX A . yes native no no . . . 18475 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_P2_gpX _Entity.Sf_category entity _Entity.Sf_framecode P2_gpX _Entity.Entry_ID 18475 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name P2_gpX _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 ; MKTFALQGDTLDAICVRYYG RTEGVVETVLAANPGLAELG AVLPHGTAVELPDVQTAPVA ETVNLWEVEHH ; _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 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7591.617 _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 2LTF . "The Solution Structure Of Phage P2 Gpx" . . . . . 100.00 71 100.00 100.00 1.48e-42 . . . . 18475 1 2 no DBJ BAP10043 . "putative phage tail completion protein [Salmonella enterica subsp. enterica serovar Typhimurium str. L-3553]" . . . . . 94.37 67 98.51 98.51 1.51e-38 . . . . 18475 1 3 no DBJ BAT37380 . "putative phage tail protein [Escherichia albertii]" . . . . . 94.37 67 98.51 98.51 1.31e-38 . . . . 18475 1 4 no DBJ BAT38781 . "putative phage tail protein [Escherichia albertii]" . . . . . 94.37 67 100.00 100.00 3.02e-39 . . . . 18475 1 5 no DBJ GAL53203 . "putative phage tail protein [Escherichia albertii NBRC 107761]" . . . . . 94.37 67 100.00 100.00 3.02e-39 . . . . 18475 1 6 no EMBL CAC43076 . "tail component protein [Enterobacteria phage 18]" . . . . . 87.32 62 100.00 100.00 5.42e-35 . . . . 18475 1 7 no EMBL CAC43081 . "tail component protein [Enterobacteria phage 299]" . . . . . 90.14 64 98.44 100.00 2.81e-36 . . . . 18475 1 8 no EMBL CAC43090 . "tail component protein [Enterobacteria phage HK109]" . . . . . 90.14 64 98.44 98.44 6.48e-36 . . . . 18475 1 9 no EMBL CAC43095 . "tail component protein [Enterobacteria phage HK111]" . . . . . 88.73 63 98.41 98.41 7.20e-35 . . . . 18475 1 10 no EMBL CAC43100 . "tail component protein [Enterobacteria phage HK113]" . . . . . 87.32 62 98.39 98.39 8.36e-34 . . . . 18475 1 11 no GB AAD03274 . "gpX [Enterobacteria phage P2]" . . . . . 94.37 67 100.00 100.00 3.02e-39 . . . . 18475 1 12 no GB AAN28225 . "gpX [Enterobacteria phage WPhi]" . . . . . 94.37 67 98.51 98.51 1.51e-38 . . . . 18475 1 13 no GB AAO64727 . "X [Escherichia coli]" . . . . . 94.37 67 100.00 100.00 3.02e-39 . . . . 18475 1 14 no GB AAP04444 . "gpX [Yersinia phage L-413C]" . . . . . 94.37 67 98.51 98.51 1.46e-38 . . . . 18475 1 15 no GB ACB19449 . "phage tail protein GpX [Escherichia coli SMS-3-5]" . . . . . 94.37 67 98.51 98.51 1.46e-38 . . . . 18475 1 16 no REF NP_046763 . "gpX [Enterobacteria phage P2]" . . . . . 94.37 67 100.00 100.00 3.02e-39 . . . . 18475 1 17 no REF NP_839856 . "gpX [Yersinia phage L-413C]" . . . . . 94.37 67 98.51 98.51 1.46e-38 . . . . 18475 1 18 no REF WP_000846398 . "phage tail protein [Escherichia coli]" . . . . . 94.37 67 98.51 100.00 7.36e-39 . . . . 18475 1 19 no REF WP_000846399 . "MULTISPECIES: tail protein X [Enterobacteriaceae]" . . . . . 94.37 67 98.51 98.51 1.51e-38 . . . . 18475 1 20 no REF WP_000846400 . "tail protein X [Escherichia coli]" . . . . . 94.37 67 97.01 97.01 1.31e-37 . . . . 18475 1 21 no SP P51772 . "RecName: Full=Baseplate protein X; AltName: Full=Gene X protein; Short=GpX" . . . . . 94.37 67 100.00 100.00 3.02e-39 . . . . 18475 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 18475 1 2 . LYS . 18475 1 3 . THR . 18475 1 4 . PHE . 18475 1 5 . ALA . 18475 1 6 . LEU . 18475 1 7 . GLN . 18475 1 8 . GLY . 18475 1 9 . ASP . 18475 1 10 . THR . 18475 1 11 . LEU . 18475 1 12 . ASP . 18475 1 13 . ALA . 18475 1 14 . ILE . 18475 1 15 . CYS . 18475 1 16 . VAL . 18475 1 17 . ARG . 18475 1 18 . TYR . 18475 1 19 . TYR . 18475 1 20 . GLY . 18475 1 21 . ARG . 18475 1 22 . THR . 18475 1 23 . GLU . 18475 1 24 . GLY . 18475 1 25 . VAL . 18475 1 26 . VAL . 18475 1 27 . GLU . 18475 1 28 . THR . 18475 1 29 . VAL . 18475 1 30 . LEU . 18475 1 31 . ALA . 18475 1 32 . ALA . 18475 1 33 . ASN . 18475 1 34 . PRO . 18475 1 35 . GLY . 18475 1 36 . LEU . 18475 1 37 . ALA . 18475 1 38 . GLU . 18475 1 39 . LEU . 18475 1 40 . GLY . 18475 1 41 . ALA . 18475 1 42 . VAL . 18475 1 43 . LEU . 18475 1 44 . PRO . 18475 1 45 . HIS . 18475 1 46 . GLY . 18475 1 47 . THR . 18475 1 48 . ALA . 18475 1 49 . VAL . 18475 1 50 . GLU . 18475 1 51 . LEU . 18475 1 52 . PRO . 18475 1 53 . ASP . 18475 1 54 . VAL . 18475 1 55 . GLN . 18475 1 56 . THR . 18475 1 57 . ALA . 18475 1 58 . PRO . 18475 1 59 . VAL . 18475 1 60 . ALA . 18475 1 61 . GLU . 18475 1 62 . THR . 18475 1 63 . VAL . 18475 1 64 . ASN . 18475 1 65 . LEU . 18475 1 66 . TRP . 18475 1 67 . GLU . 18475 1 68 . VAL . 18475 1 69 . GLU . 18475 1 70 . HIS . 18475 1 71 . HIS . 18475 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18475 1 . LYS 2 2 18475 1 . THR 3 3 18475 1 . PHE 4 4 18475 1 . ALA 5 5 18475 1 . LEU 6 6 18475 1 . GLN 7 7 18475 1 . GLY 8 8 18475 1 . ASP 9 9 18475 1 . THR 10 10 18475 1 . LEU 11 11 18475 1 . ASP 12 12 18475 1 . ALA 13 13 18475 1 . ILE 14 14 18475 1 . CYS 15 15 18475 1 . VAL 16 16 18475 1 . ARG 17 17 18475 1 . TYR 18 18 18475 1 . TYR 19 19 18475 1 . GLY 20 20 18475 1 . ARG 21 21 18475 1 . THR 22 22 18475 1 . GLU 23 23 18475 1 . GLY 24 24 18475 1 . VAL 25 25 18475 1 . VAL 26 26 18475 1 . GLU 27 27 18475 1 . THR 28 28 18475 1 . VAL 29 29 18475 1 . LEU 30 30 18475 1 . ALA 31 31 18475 1 . ALA 32 32 18475 1 . ASN 33 33 18475 1 . PRO 34 34 18475 1 . GLY 35 35 18475 1 . LEU 36 36 18475 1 . ALA 37 37 18475 1 . GLU 38 38 18475 1 . LEU 39 39 18475 1 . GLY 40 40 18475 1 . ALA 41 41 18475 1 . VAL 42 42 18475 1 . LEU 43 43 18475 1 . PRO 44 44 18475 1 . HIS 45 45 18475 1 . GLY 46 46 18475 1 . THR 47 47 18475 1 . ALA 48 48 18475 1 . VAL 49 49 18475 1 . GLU 50 50 18475 1 . LEU 51 51 18475 1 . PRO 52 52 18475 1 . ASP 53 53 18475 1 . VAL 54 54 18475 1 . GLN 55 55 18475 1 . THR 56 56 18475 1 . ALA 57 57 18475 1 . PRO 58 58 18475 1 . VAL 59 59 18475 1 . ALA 60 60 18475 1 . GLU 61 61 18475 1 . THR 62 62 18475 1 . VAL 63 63 18475 1 . ASN 64 64 18475 1 . LEU 65 65 18475 1 . TRP 66 66 18475 1 . GLU 67 67 18475 1 . VAL 68 68 18475 1 . GLU 69 69 18475 1 . HIS 70 70 18475 1 . HIS 71 71 18475 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 18475 _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 $P2_gpX . 10679 virus . 'Bacteriophage P2' 'Bacteriophage P2' . . Viruses . Bacteriophage P2 . . . . . . . . . . . . . . . . X . . . . 18475 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 18475 _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 $P2_gpX . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET15b . . . . . . 18475 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18475 _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 P2_gpX '[U-100% 13C; U-100% 15N]' . . 1 $P2_gpX . . 1.1 . . mM . . . . 18475 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 18475 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 18475 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18475 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18475 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18475 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18475 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'P2 gpX' '[U-100% 13C; U-100% 15N]' . . 1 $P2_gpX . . 1.1 . . mM . . . . 18475 2 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 18475 2 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 18475 2 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18475 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18475 2 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 18475 _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' 200 . mM 18475 1 pH 6.8 . pH 18475 1 pressure 1 . atm 18475 1 temperature 273 . K 18475 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18475 _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 P.' . . 18475 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18475 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 18475 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18475 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 18475 _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 Varian INOVA . 500 . . . 18475 1 2 spectrometer_2 Varian INOVA . 800 . . . 18475 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 18475 _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 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18475 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18475 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18475 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18475 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18475 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18475 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18475 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18475 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18475 1 10 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18475 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18475 1 12 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18475 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18475 1 14 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18475 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 18475 _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 . . . . . . . . . 18475 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18475 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18475 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 18475 _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 '3D HNCACB' . . . 18475 1 2 '3D CBCA(CO)NH' . . . 18475 1 3 '3D HNCO' . . . 18475 1 4 '2D 1H-15N HSQC' . . . 18475 1 6 '3D H(CCO)NH' . . . 18475 1 7 '3D C(CO)NH' . . . 18475 1 11 '3D 1H-13C NOESY aromatic' . . . 18475 1 14 '3D HCCH-TOCSY' . . . 18475 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 MET HA H 1 4.09 . . 1 . . . A 1 MET HA . 18475 1 2 . 1 1 1 1 MET HB2 H 1 2.179 . . 2 . . . A 1 MET QB . 18475 1 3 . 1 1 1 1 MET HB3 H 1 2.179 . . 2 . . . A 1 MET QB . 18475 1 4 . 1 1 1 1 MET HG2 H 1 2.451 . . 2 . . . A 1 MET HG2 . 18475 1 5 . 1 1 1 1 MET HG3 H 1 2.368 . . 2 . . . A 1 MET HG3 . 18475 1 6 . 1 1 1 1 MET H H 1 6.931 . . 1 . . . A 1 MET H1 . 18475 1 7 . 1 1 1 1 MET CA C 13 54.882 . . 1 . . . A 1 MET CA . 18475 1 8 . 1 1 1 1 MET CB C 13 33.296 . . 1 . . . A 1 MET CB . 18475 1 9 . 1 1 1 1 MET CG C 13 30.944 . . 1 . . . A 1 MET CG . 18475 1 10 . 1 1 1 1 MET N N 15 109.746 . . 1 . . . A 1 MET N . 18475 1 11 . 1 1 2 2 LYS H H 1 8.576 . . 1 . . . A 2 LYS H . 18475 1 12 . 1 1 2 2 LYS HA H 1 4.79 . . 1 . . . A 2 LYS HA . 18475 1 13 . 1 1 2 2 LYS HB2 H 1 1.556 . . 2 . . . A 2 LYS HB2 . 18475 1 14 . 1 1 2 2 LYS HB3 H 1 1.49 . . 2 . . . A 2 LYS HB3 . 18475 1 15 . 1 1 2 2 LYS HG2 H 1 1.047 . . 2 . . . A 2 LYS HG2 . 18475 1 16 . 1 1 2 2 LYS HG3 H 1 1.098 . . 2 . . . A 2 LYS HG3 . 18475 1 17 . 1 1 2 2 LYS HD2 H 1 1.509 . . 2 . . . A 2 LYS QD . 18475 1 18 . 1 1 2 2 LYS HD3 H 1 1.509 . . 2 . . . A 2 LYS QD . 18475 1 19 . 1 1 2 2 LYS HE2 H 1 2.895 . . 2 . . . A 2 LYS QE . 18475 1 20 . 1 1 2 2 LYS HE3 H 1 2.895 . . 2 . . . A 2 LYS QE . 18475 1 21 . 1 1 2 2 LYS CA C 13 55.349 . . 1 . . . A 2 LYS CA . 18475 1 22 . 1 1 2 2 LYS CB C 13 34.348 . . 1 . . . A 2 LYS CB . 18475 1 23 . 1 1 2 2 LYS CG C 13 24.026 . . 1 . . . A 2 LYS CG . 18475 1 24 . 1 1 2 2 LYS CD C 13 29.1 . . 1 . . . A 2 LYS CD . 18475 1 25 . 1 1 2 2 LYS CE C 13 41.582 . . 1 . . . A 2 LYS CE . 18475 1 26 . 1 1 2 2 LYS N N 15 125.102 . . 1 . . . A 2 LYS N . 18475 1 27 . 1 1 3 3 THR H H 1 8.411 . . 1 . . . A 3 THR H . 18475 1 28 . 1 1 3 3 THR HA H 1 4.431 . . 1 . . . A 3 THR HA . 18475 1 29 . 1 1 3 3 THR HB H 1 3.523 . . 1 . . . A 3 THR HB . 18475 1 30 . 1 1 3 3 THR HG21 H 1 0.791 . . 1 . . . A 3 THR QG2 . 18475 1 31 . 1 1 3 3 THR HG22 H 1 0.791 . . 1 . . . A 3 THR QG2 . 18475 1 32 . 1 1 3 3 THR HG23 H 1 0.791 . . 1 . . . A 3 THR QG2 . 18475 1 33 . 1 1 3 3 THR CA C 13 58.999 . . 1 . . . A 3 THR CA . 18475 1 34 . 1 1 3 3 THR CB C 13 70.31 . . 1 . . . A 3 THR CB . 18475 1 35 . 1 1 3 3 THR CG2 C 13 18.818 . . 1 . . . A 3 THR CG2 . 18475 1 36 . 1 1 3 3 THR N N 15 118.344 . . 1 . . . A 3 THR N . 18475 1 37 . 1 1 4 4 PHE H H 1 7.738 . . 1 . . . A 4 PHE H . 18475 1 38 . 1 1 4 4 PHE HA H 1 5.265 . . 1 . . . A 4 PHE HA . 18475 1 39 . 1 1 4 4 PHE HB2 H 1 2.714 . . 2 . . . A 4 PHE HB2 . 18475 1 40 . 1 1 4 4 PHE HB3 H 1 2.655 . . 2 . . . A 4 PHE HB3 . 18475 1 41 . 1 1 4 4 PHE HD1 H 1 7.169 . . 3 . . . A 4 PHE HD1 . 18475 1 42 . 1 1 4 4 PHE HD2 H 1 7.169 . . 3 . . . A 4 PHE HD2 . 18475 1 43 . 1 1 4 4 PHE CA C 13 55.599 . . 1 . . . A 4 PHE CA . 18475 1 44 . 1 1 4 4 PHE CB C 13 41.521 . . 1 . . . A 4 PHE CB . 18475 1 45 . 1 1 4 4 PHE N N 15 119.203 . . 1 . . . A 4 PHE N . 18475 1 46 . 1 1 5 5 ALA H H 1 9.071 . . 1 . . . A 5 ALA H . 18475 1 47 . 1 1 5 5 ALA HA H 1 4.324 . . 1 . . . A 5 ALA HA . 18475 1 48 . 1 1 5 5 ALA HB1 H 1 1.451 . . 1 . . . A 5 ALA QB . 18475 1 49 . 1 1 5 5 ALA HB2 H 1 1.451 . . 1 . . . A 5 ALA QB . 18475 1 50 . 1 1 5 5 ALA HB3 H 1 1.451 . . 1 . . . A 5 ALA QB . 18475 1 51 . 1 1 5 5 ALA CA C 13 52.714 . . 1 . . . A 5 ALA CA . 18475 1 52 . 1 1 5 5 ALA CB C 13 19.937 . . 1 . . . A 5 ALA CB . 18475 1 53 . 1 1 5 5 ALA N N 15 125.356 . . 1 . . . A 5 ALA N . 18475 1 54 . 1 1 6 6 LEU H H 1 9.657 . . 1 . . . A 6 LEU H . 18475 1 55 . 1 1 6 6 LEU HA H 1 4.508 . . 1 . . . A 6 LEU HA . 18475 1 56 . 1 1 6 6 LEU HB2 H 1 1.657 . . 2 . . . A 6 LEU HB2 . 18475 1 57 . 1 1 6 6 LEU HB3 H 1 1.577 . . 2 . . . A 6 LEU HB3 . 18475 1 58 . 1 1 6 6 LEU HG H 1 1.804 . . 1 . . . A 6 LEU HG . 18475 1 59 . 1 1 6 6 LEU HD11 H 1 0.94 . . 1 . . . A 6 LEU QD1 . 18475 1 60 . 1 1 6 6 LEU HD12 H 1 0.94 . . 1 . . . A 6 LEU QD1 . 18475 1 61 . 1 1 6 6 LEU HD13 H 1 0.94 . . 1 . . . A 6 LEU QD1 . 18475 1 62 . 1 1 6 6 LEU HD21 H 1 0.954 . . 1 . . . A 6 LEU QD2 . 18475 1 63 . 1 1 6 6 LEU HD22 H 1 0.954 . . 1 . . . A 6 LEU QD2 . 18475 1 64 . 1 1 6 6 LEU HD23 H 1 0.954 . . 1 . . . A 6 LEU QD2 . 18475 1 65 . 1 1 6 6 LEU CA C 13 53.397 . . 1 . . . A 6 LEU CA . 18475 1 66 . 1 1 6 6 LEU CB C 13 42.307 . . 1 . . . A 6 LEU CB . 18475 1 67 . 1 1 6 6 LEU CG C 13 27.106 . . 1 . . . A 6 LEU CG . 18475 1 68 . 1 1 6 6 LEU CD1 C 13 25.122 . . 2 . . . A 6 LEU CD1 . 18475 1 69 . 1 1 6 6 LEU CD2 C 13 22.233 . . 2 . . . A 6 LEU CD2 . 18475 1 70 . 1 1 6 6 LEU N N 15 126.309 . . 1 . . . A 6 LEU N . 18475 1 71 . 1 1 7 7 GLN H H 1 8.647 . . 1 . . . A 7 GLN H . 18475 1 72 . 1 1 7 7 GLN HA H 1 4.177 . . 1 . . . A 7 GLN HA . 18475 1 73 . 1 1 7 7 GLN HB2 H 1 1.898 . . 2 . . . A 7 GLN QB . 18475 1 74 . 1 1 7 7 GLN HB3 H 1 1.898 . . 2 . . . A 7 GLN QB . 18475 1 75 . 1 1 7 7 GLN HG2 H 1 2.301 . . 2 . . . A 7 GLN HG2 . 18475 1 76 . 1 1 7 7 GLN HG3 H 1 2.201 . . 2 . . . A 7 GLN HG3 . 18475 1 77 . 1 1 7 7 GLN CA C 13 57.51 . . 1 . . . A 7 GLN CA . 18475 1 78 . 1 1 7 7 GLN CB C 13 27.938 . . 1 . . . A 7 GLN CB . 18475 1 79 . 1 1 7 7 GLN CG C 13 33.061 . . 1 . . . A 7 GLN CG . 18475 1 80 . 1 1 7 7 GLN N N 15 119.93 . . 1 . . . A 7 GLN N . 18475 1 81 . 1 1 8 8 GLY H H 1 9.812 . . 1 . . . A 8 GLY H . 18475 1 82 . 1 1 8 8 GLY HA2 H 1 3.584 . . 2 . . . A 8 GLY HA2 . 18475 1 83 . 1 1 8 8 GLY HA3 H 1 4.213 . . 2 . . . A 8 GLY HA3 . 18475 1 84 . 1 1 8 8 GLY CA C 13 45.345 . . 1 . . . A 8 GLY CA . 18475 1 85 . 1 1 8 8 GLY N N 15 117.081 . . 1 . . . A 8 GLY N . 18475 1 86 . 1 1 9 9 ASP H H 1 8.085 . . 1 . . . A 9 ASP H . 18475 1 87 . 1 1 9 9 ASP HA H 1 4.659 . . 1 . . . A 9 ASP HA . 18475 1 88 . 1 1 9 9 ASP HB2 H 1 3.215 . . 2 . . . A 9 ASP HB2 . 18475 1 89 . 1 1 9 9 ASP HB3 H 1 2.476 . . 2 . . . A 9 ASP HB3 . 18475 1 90 . 1 1 9 9 ASP CA C 13 55.639 . . 1 . . . A 9 ASP CA . 18475 1 91 . 1 1 9 9 ASP CB C 13 42.127 . . 1 . . . A 9 ASP CB . 18475 1 92 . 1 1 9 9 ASP N N 15 121.569 . . 1 . . . A 9 ASP N . 18475 1 93 . 1 1 10 10 THR H H 1 6.92 . . 1 . . . A 10 THR H . 18475 1 94 . 1 1 10 10 THR HA H 1 4.984 . . 1 . . . A 10 THR HA . 18475 1 95 . 1 1 10 10 THR HB H 1 4.655 . . 1 . . . A 10 THR HB . 18475 1 96 . 1 1 10 10 THR HG21 H 1 1.326 . . 1 . . . A 10 THR QG2 . 18475 1 97 . 1 1 10 10 THR HG22 H 1 1.326 . . 1 . . . A 10 THR QG2 . 18475 1 98 . 1 1 10 10 THR HG23 H 1 1.326 . . 1 . . . A 10 THR QG2 . 18475 1 99 . 1 1 10 10 THR CA C 13 58.309 . . 1 . . . A 10 THR CA . 18475 1 100 . 1 1 10 10 THR CB C 13 72.68 . . 1 . . . A 10 THR CB . 18475 1 101 . 1 1 10 10 THR CG2 C 13 21.459 . . 1 . . . A 10 THR CG2 . 18475 1 102 . 1 1 10 10 THR N N 15 106.071 . . 1 . . . A 10 THR N . 18475 1 103 . 1 1 11 11 LEU H H 1 9.621 . . 1 . . . A 11 LEU H . 18475 1 104 . 1 1 11 11 LEU HA H 1 4.131 . . 1 . . . A 11 LEU HA . 18475 1 105 . 1 1 11 11 LEU HB2 H 1 1.803 . . 2 . . . A 11 LEU HB2 . 18475 1 106 . 1 1 11 11 LEU HB3 H 1 1.666 . . 2 . . . A 11 LEU HB3 . 18475 1 107 . 1 1 11 11 LEU HG H 1 1.724 . . 1 . . . A 11 LEU HG . 18475 1 108 . 1 1 11 11 LEU HD11 H 1 0.894 . . 1 . . . A 11 LEU QD1 . 18475 1 109 . 1 1 11 11 LEU HD12 H 1 0.894 . . 1 . . . A 11 LEU QD1 . 18475 1 110 . 1 1 11 11 LEU HD13 H 1 0.894 . . 1 . . . A 11 LEU QD1 . 18475 1 111 . 1 1 11 11 LEU HD21 H 1 0.884 . . 1 . . . A 11 LEU QD2 . 18475 1 112 . 1 1 11 11 LEU HD22 H 1 0.884 . . 1 . . . A 11 LEU QD2 . 18475 1 113 . 1 1 11 11 LEU HD23 H 1 0.884 . . 1 . . . A 11 LEU QD2 . 18475 1 114 . 1 1 11 11 LEU CA C 13 58.327 . . 1 . . . A 11 LEU CA . 18475 1 115 . 1 1 11 11 LEU CB C 13 41.422 . . 1 . . . A 11 LEU CB . 18475 1 116 . 1 1 11 11 LEU CG C 13 27.257 . . 1 . . . A 11 LEU CG . 18475 1 117 . 1 1 11 11 LEU CD1 C 13 25.568 . . 2 . . . A 11 LEU CD1 . 18475 1 118 . 1 1 11 11 LEU CD2 C 13 24.16 . . 2 . . . A 11 LEU CD2 . 18475 1 119 . 1 1 11 11 LEU N N 15 122.591 . . 1 . . . A 11 LEU N . 18475 1 120 . 1 1 12 12 ASP H H 1 8.561 . . 1 . . . A 12 ASP H . 18475 1 121 . 1 1 12 12 ASP HA H 1 4.141 . . 1 . . . A 12 ASP HA . 18475 1 122 . 1 1 12 12 ASP HB2 H 1 2.591 . . 2 . . . A 12 ASP QB . 18475 1 123 . 1 1 12 12 ASP HB3 H 1 2.591 . . 2 . . . A 12 ASP QB . 18475 1 124 . 1 1 12 12 ASP CA C 13 57.809 . . 1 . . . A 12 ASP CA . 18475 1 125 . 1 1 12 12 ASP CB C 13 40.466 . . 1 . . . A 12 ASP CB . 18475 1 126 . 1 1 12 12 ASP N N 15 118.388 . . 1 . . . A 12 ASP N . 18475 1 127 . 1 1 13 13 ALA H H 1 7.87 . . 1 . . . A 13 ALA H . 18475 1 128 . 1 1 13 13 ALA HA H 1 4.021 . . 1 . . . A 13 ALA HA . 18475 1 129 . 1 1 13 13 ALA HB1 H 1 1.603 . . 1 . . . A 13 ALA QB . 18475 1 130 . 1 1 13 13 ALA HB2 H 1 1.603 . . 1 . . . A 13 ALA QB . 18475 1 131 . 1 1 13 13 ALA HB3 H 1 1.603 . . 1 . . . A 13 ALA QB . 18475 1 132 . 1 1 13 13 ALA CA C 13 55.237 . . 1 . . . A 13 ALA CA . 18475 1 133 . 1 1 13 13 ALA CB C 13 18.509 . . 1 . . . A 13 ALA CB . 18475 1 134 . 1 1 13 13 ALA N N 15 121.142 . . 1 . . . A 13 ALA N . 18475 1 135 . 1 1 14 14 ILE H H 1 8.043 . . 1 . . . A 14 ILE H . 18475 1 136 . 1 1 14 14 ILE HA H 1 3.62 . . 1 . . . A 14 ILE HA . 18475 1 137 . 1 1 14 14 ILE HB H 1 2.071 . . 1 . . . A 14 ILE HB . 18475 1 138 . 1 1 14 14 ILE HG12 H 1 1.188 . . 2 . . . A 14 ILE HG12 . 18475 1 139 . 1 1 14 14 ILE HG13 H 1 1.98 . . 2 . . . A 14 ILE HG13 . 18475 1 140 . 1 1 14 14 ILE HG21 H 1 0.941 . . 1 . . . A 14 ILE QG2 . 18475 1 141 . 1 1 14 14 ILE HG22 H 1 0.941 . . 1 . . . A 14 ILE QG2 . 18475 1 142 . 1 1 14 14 ILE HG23 H 1 0.941 . . 1 . . . A 14 ILE QG2 . 18475 1 143 . 1 1 14 14 ILE HD11 H 1 0.774 . . 1 . . . A 14 ILE QD1 . 18475 1 144 . 1 1 14 14 ILE HD12 H 1 0.774 . . 1 . . . A 14 ILE QD1 . 18475 1 145 . 1 1 14 14 ILE HD13 H 1 0.774 . . 1 . . . A 14 ILE QD1 . 18475 1 146 . 1 1 14 14 ILE CA C 13 66.066 . . 1 . . . A 14 ILE CA . 18475 1 147 . 1 1 14 14 ILE CB C 13 38.623 . . 1 . . . A 14 ILE CB . 18475 1 148 . 1 1 14 14 ILE CG1 C 13 30.069 . . 1 . . . A 14 ILE CG1 . 18475 1 149 . 1 1 14 14 ILE CG2 C 13 17.705 . . 1 . . . A 14 ILE CG2 . 18475 1 150 . 1 1 14 14 ILE CD1 C 13 14.234 . . 1 . . . A 14 ILE CD1 . 18475 1 151 . 1 1 14 14 ILE N N 15 119.983 . . 1 . . . A 14 ILE N . 18475 1 152 . 1 1 15 15 CYS H H 1 8.477 . . 1 . . . A 15 CYS H . 18475 1 153 . 1 1 15 15 CYS HA H 1 4.477 . . 1 . . . A 15 CYS HA . 18475 1 154 . 1 1 15 15 CYS HB2 H 1 3.285 . . 2 . . . A 15 CYS HB2 . 18475 1 155 . 1 1 15 15 CYS HB3 H 1 3.07 . . 2 . . . A 15 CYS HB3 . 18475 1 156 . 1 1 15 15 CYS CA C 13 65.421 . . 1 . . . A 15 CYS CA . 18475 1 157 . 1 1 15 15 CYS CB C 13 26.368 . . 1 . . . A 15 CYS CB . 18475 1 158 . 1 1 15 15 CYS N N 15 117.727 . . 1 . . . A 15 CYS N . 18475 1 159 . 1 1 16 16 VAL H H 1 8.477 . . 1 . . . A 16 VAL H . 18475 1 160 . 1 1 16 16 VAL HA H 1 3.318 . . 1 . . . A 16 VAL HA . 18475 1 161 . 1 1 16 16 VAL HB H 1 2.016 . . 1 . . . A 16 VAL HB . 18475 1 162 . 1 1 16 16 VAL HG11 H 1 0.856 . . 1 . . . A 16 VAL QG1 . 18475 1 163 . 1 1 16 16 VAL HG12 H 1 0.856 . . 1 . . . A 16 VAL QG1 . 18475 1 164 . 1 1 16 16 VAL HG13 H 1 0.856 . . 1 . . . A 16 VAL QG1 . 18475 1 165 . 1 1 16 16 VAL HG21 H 1 0.957 . . 1 . . . A 16 VAL QG2 . 18475 1 166 . 1 1 16 16 VAL HG22 H 1 0.957 . . 1 . . . A 16 VAL QG2 . 18475 1 167 . 1 1 16 16 VAL HG23 H 1 0.957 . . 1 . . . A 16 VAL QG2 . 18475 1 168 . 1 1 16 16 VAL CA C 13 67.598 . . 1 . . . A 16 VAL CA . 18475 1 169 . 1 1 16 16 VAL CB C 13 31.383 . . 1 . . . A 16 VAL CB . 18475 1 170 . 1 1 16 16 VAL CG1 C 13 21.309 . . 2 . . . A 16 VAL CG1 . 18475 1 171 . 1 1 16 16 VAL CG2 C 13 23.681 . . 2 . . . A 16 VAL CG2 . 18475 1 172 . 1 1 16 16 VAL N N 15 120.808 . . 1 . . . A 16 VAL N . 18475 1 173 . 1 1 17 17 ARG H H 1 7.963 . . 1 . . . A 17 ARG H . 18475 1 174 . 1 1 17 17 ARG HA H 1 3.936 . . 1 . . . A 17 ARG HA . 18475 1 175 . 1 1 17 17 ARG HB2 H 1 1.957 . . 2 . . . A 17 ARG HB2 . 18475 1 176 . 1 1 17 17 ARG HB3 H 1 1.69 . . 2 . . . A 17 ARG HB3 . 18475 1 177 . 1 1 17 17 ARG HG2 H 1 1.639 . . 2 . . . A 17 ARG HG2 . 18475 1 178 . 1 1 17 17 ARG HG3 H 1 1.05 . . 2 . . . A 17 ARG HG3 . 18475 1 179 . 1 1 17 17 ARG HD2 H 1 3.274 . . 2 . . . A 17 ARG HD2 . 18475 1 180 . 1 1 17 17 ARG HD3 H 1 3.021 . . 2 . . . A 17 ARG HD3 . 18475 1 181 . 1 1 17 17 ARG CA C 13 60.184 . . 1 . . . A 17 ARG CA . 18475 1 182 . 1 1 17 17 ARG CB C 13 30.681 . . 1 . . . A 17 ARG CB . 18475 1 183 . 1 1 17 17 ARG CG C 13 27.579 . . 1 . . . A 17 ARG CG . 18475 1 184 . 1 1 17 17 ARG CD C 13 43.938 . . 1 . . . A 17 ARG CD . 18475 1 185 . 1 1 17 17 ARG N N 15 119.589 . . 1 . . . A 17 ARG N . 18475 1 186 . 1 1 18 18 TYR H H 1 7.833 . . 1 . . . A 18 TYR H . 18475 1 187 . 1 1 18 18 TYR HA H 1 4.381 . . 1 . . . A 18 TYR HA . 18475 1 188 . 1 1 18 18 TYR HB2 H 1 2.5 . . 2 . . . A 18 TYR QB . 18475 1 189 . 1 1 18 18 TYR HB3 H 1 2.5 . . 2 . . . A 18 TYR QB . 18475 1 190 . 1 1 18 18 TYR HD1 H 1 6.915 . . 3 . . . A 18 TYR HD1 . 18475 1 191 . 1 1 18 18 TYR HD2 H 1 6.915 . . 3 . . . A 18 TYR HD2 . 18475 1 192 . 1 1 18 18 TYR HE1 H 1 6.656 . . 3 . . . A 18 TYR HE1 . 18475 1 193 . 1 1 18 18 TYR HE2 H 1 6.656 . . 3 . . . A 18 TYR HE2 . 18475 1 194 . 1 1 18 18 TYR CA C 13 61.111 . . 1 . . . A 18 TYR CA . 18475 1 195 . 1 1 18 18 TYR CB C 13 40.011 . . 1 . . . A 18 TYR CB . 18475 1 196 . 1 1 18 18 TYR N N 15 113.897 . . 1 . . . A 18 TYR N . 18475 1 197 . 1 1 19 19 TYR H H 1 8.936 . . 1 . . . A 19 TYR H . 18475 1 198 . 1 1 19 19 TYR HA H 1 4.745 . . 1 . . . A 19 TYR HA . 18475 1 199 . 1 1 19 19 TYR HB2 H 1 3.275 . . 2 . . . A 19 TYR HB2 . 18475 1 200 . 1 1 19 19 TYR HB3 H 1 3.19 . . 2 . . . A 19 TYR HB3 . 18475 1 201 . 1 1 19 19 TYR HD1 H 1 7.339 . . 3 . . . A 19 TYR HD1 . 18475 1 202 . 1 1 19 19 TYR HD2 H 1 7.339 . . 3 . . . A 19 TYR HD2 . 18475 1 203 . 1 1 19 19 TYR HE1 H 1 6.836 . . 3 . . . A 19 TYR HE1 . 18475 1 204 . 1 1 19 19 TYR HE2 H 1 6.836 . . 3 . . . A 19 TYR HE2 . 18475 1 205 . 1 1 19 19 TYR CA C 13 58.34 . . 1 . . . A 19 TYR CA . 18475 1 206 . 1 1 19 19 TYR CB C 13 39.89 . . 1 . . . A 19 TYR CB . 18475 1 207 . 1 1 19 19 TYR N N 15 115.27 . . 1 . . . A 19 TYR N . 18475 1 208 . 1 1 20 20 GLY H H 1 7.921 . . 1 . . . A 20 GLY H . 18475 1 209 . 1 1 20 20 GLY HA2 H 1 4.016 . . 2 . . . A 20 GLY HA2 . 18475 1 210 . 1 1 20 20 GLY HA3 H 1 4.303 . . 2 . . . A 20 GLY HA3 . 18475 1 211 . 1 1 20 20 GLY CA C 13 45.8 . . 1 . . . A 20 GLY CA . 18475 1 212 . 1 1 20 20 GLY N N 15 108.099 . . 1 . . . A 20 GLY N . 18475 1 213 . 1 1 21 21 ARG H H 1 7.495 . . 1 . . . A 21 ARG H . 18475 1 214 . 1 1 21 21 ARG HA H 1 4.733 . . 1 . . . A 21 ARG HA . 18475 1 215 . 1 1 21 21 ARG HB2 H 1 2.117 . . 2 . . . A 21 ARG HB2 . 18475 1 216 . 1 1 21 21 ARG HB3 H 1 1.939 . . 2 . . . A 21 ARG HB3 . 18475 1 217 . 1 1 21 21 ARG HG2 H 1 1.468 . . 2 . . . A 21 ARG HG2 . 18475 1 218 . 1 1 21 21 ARG HG3 H 1 1.388 . . 2 . . . A 21 ARG HG3 . 18475 1 219 . 1 1 21 21 ARG HD2 H 1 3.229 . . 2 . . . A 21 ARG HD2 . 18475 1 220 . 1 1 21 21 ARG HD3 H 1 3.171 . . 2 . . . A 21 ARG HD3 . 18475 1 221 . 1 1 21 21 ARG CA C 13 54.72 . . 1 . . . A 21 ARG CA . 18475 1 222 . 1 1 21 21 ARG CB C 13 31.265 . . 1 . . . A 21 ARG CB . 18475 1 223 . 1 1 21 21 ARG CG C 13 25.328 . . 1 . . . A 21 ARG CG . 18475 1 224 . 1 1 21 21 ARG CD C 13 43.701 . . 1 . . . A 21 ARG CD . 18475 1 225 . 1 1 21 21 ARG N N 15 115.116 . . 1 . . . A 21 ARG N . 18475 1 226 . 1 1 22 22 THR H H 1 8.162 . . 1 . . . A 22 THR H . 18475 1 227 . 1 1 22 22 THR HA H 1 4.32 . . 1 . . . A 22 THR HA . 18475 1 228 . 1 1 22 22 THR HB H 1 4.148 . . 1 . . . A 22 THR HB . 18475 1 229 . 1 1 22 22 THR HG21 H 1 1.21 . . 1 . . . A 22 THR QG2 . 18475 1 230 . 1 1 22 22 THR HG22 H 1 1.21 . . 1 . . . A 22 THR QG2 . 18475 1 231 . 1 1 22 22 THR HG23 H 1 1.21 . . 1 . . . A 22 THR QG2 . 18475 1 232 . 1 1 22 22 THR CA C 13 62.284 . . 1 . . . A 22 THR CA . 18475 1 233 . 1 1 22 22 THR CB C 13 69.292 . . 1 . . . A 22 THR CB . 18475 1 234 . 1 1 22 22 THR CG2 C 13 22.782 . . 1 . . . A 22 THR CG2 . 18475 1 235 . 1 1 22 22 THR N N 15 106.239 . . 1 . . . A 22 THR N . 18475 1 236 . 1 1 23 23 GLU H H 1 8.543 . . 1 . . . A 23 GLU H . 18475 1 237 . 1 1 23 23 GLU HA H 1 4.165 . . 1 . . . A 23 GLU HA . 18475 1 238 . 1 1 23 23 GLU HB2 H 1 2.084 . . 2 . . . A 23 GLU QB . 18475 1 239 . 1 1 23 23 GLU HB3 H 1 2.084 . . 2 . . . A 23 GLU QB . 18475 1 240 . 1 1 23 23 GLU HG2 H 1 2.331 . . 2 . . . A 23 GLU QG . 18475 1 241 . 1 1 23 23 GLU HG3 H 1 2.331 . . 2 . . . A 23 GLU QG . 18475 1 242 . 1 1 23 23 GLU CA C 13 58.752 . . 1 . . . A 23 GLU CA . 18475 1 243 . 1 1 23 23 GLU CB C 13 28.98 . . 1 . . . A 23 GLU CB . 18475 1 244 . 1 1 23 23 GLU CG C 13 36.089 . . 1 . . . A 23 GLU CG . 18475 1 245 . 1 1 23 23 GLU N N 15 126.964 . . 1 . . . A 23 GLU N . 18475 1 246 . 1 1 24 24 GLY H H 1 9.112 . . 1 . . . A 24 GLY H . 18475 1 247 . 1 1 24 24 GLY HA2 H 1 3.731 . . 2 . . . A 24 GLY HA2 . 18475 1 248 . 1 1 24 24 GLY HA3 H 1 4.245 . . 2 . . . A 24 GLY HA3 . 18475 1 249 . 1 1 24 24 GLY CA C 13 46.015 . . 1 . . . A 24 GLY CA . 18475 1 250 . 1 1 24 24 GLY N N 15 115.618 . . 1 . . . A 24 GLY N . 18475 1 251 . 1 1 25 25 VAL H H 1 7.86 . . 1 . . . A 25 VAL H . 18475 1 252 . 1 1 25 25 VAL HA H 1 4.004 . . 1 . . . A 25 VAL HA . 18475 1 253 . 1 1 25 25 VAL HB H 1 1.496 . . 1 . . . A 25 VAL HB . 18475 1 254 . 1 1 25 25 VAL HG11 H 1 0.316 . . 1 . . . A 25 VAL QG1 . 18475 1 255 . 1 1 25 25 VAL HG12 H 1 0.316 . . 1 . . . A 25 VAL QG1 . 18475 1 256 . 1 1 25 25 VAL HG13 H 1 0.316 . . 1 . . . A 25 VAL QG1 . 18475 1 257 . 1 1 25 25 VAL HG21 H 1 0.527 . . 1 . . . A 25 VAL QG2 . 18475 1 258 . 1 1 25 25 VAL HG22 H 1 0.527 . . 1 . . . A 25 VAL QG2 . 18475 1 259 . 1 1 25 25 VAL HG23 H 1 0.527 . . 1 . . . A 25 VAL QG2 . 18475 1 260 . 1 1 25 25 VAL CA C 13 63.479 . . 1 . . . A 25 VAL CA . 18475 1 261 . 1 1 25 25 VAL CB C 13 33.883 . . 1 . . . A 25 VAL CB . 18475 1 262 . 1 1 25 25 VAL CG1 C 13 21.097 . . 2 . . . A 25 VAL CG1 . 18475 1 263 . 1 1 25 25 VAL CG2 C 13 21.041 . . 2 . . . A 25 VAL CG2 . 18475 1 264 . 1 1 25 25 VAL N N 15 118.084 . . 1 . . . A 25 VAL N . 18475 1 265 . 1 1 26 26 VAL H H 1 8.101 . . 1 . . . A 26 VAL H . 18475 1 266 . 1 1 26 26 VAL HA H 1 3.757 . . 1 . . . A 26 VAL HA . 18475 1 267 . 1 1 26 26 VAL HB H 1 2.128 . . 1 . . . A 26 VAL HB . 18475 1 268 . 1 1 26 26 VAL HG11 H 1 1.111 . . 1 . . . A 26 VAL QG1 . 18475 1 269 . 1 1 26 26 VAL HG12 H 1 1.111 . . 1 . . . A 26 VAL QG1 . 18475 1 270 . 1 1 26 26 VAL HG13 H 1 1.111 . . 1 . . . A 26 VAL QG1 . 18475 1 271 . 1 1 26 26 VAL HG21 H 1 1.028 . . 1 . . . A 26 VAL QG2 . 18475 1 272 . 1 1 26 26 VAL HG22 H 1 1.028 . . 1 . . . A 26 VAL QG2 . 18475 1 273 . 1 1 26 26 VAL HG23 H 1 1.028 . . 1 . . . A 26 VAL QG2 . 18475 1 274 . 1 1 26 26 VAL CA C 13 66.861 . . 1 . . . A 26 VAL CA . 18475 1 275 . 1 1 26 26 VAL CB C 13 31.89 . . 1 . . . A 26 VAL CB . 18475 1 276 . 1 1 26 26 VAL CG1 C 13 22.324 . . 2 . . . A 26 VAL CG1 . 18475 1 277 . 1 1 26 26 VAL CG2 C 13 20.558 . . 2 . . . A 26 VAL CG2 . 18475 1 278 . 1 1 26 26 VAL N N 15 121.094 . . 1 . . . A 26 VAL N . 18475 1 279 . 1 1 27 27 GLU H H 1 8.91 . . 1 . . . A 27 GLU H . 18475 1 280 . 1 1 27 27 GLU HA H 1 3.982 . . 1 . . . A 27 GLU HA . 18475 1 281 . 1 1 27 27 GLU HB2 H 1 2.068 . . 2 . . . A 27 GLU HB2 . 18475 1 282 . 1 1 27 27 GLU HB3 H 1 2.006 . . 2 . . . A 27 GLU HB3 . 18475 1 283 . 1 1 27 27 GLU HG2 H 1 2.389 . . 2 . . . A 27 GLU HG2 . 18475 1 284 . 1 1 27 27 GLU HG3 H 1 2.312 . . 2 . . . A 27 GLU HG3 . 18475 1 285 . 1 1 27 27 GLU CA C 13 60.66 . . 1 . . . A 27 GLU CA . 18475 1 286 . 1 1 27 27 GLU CB C 13 28.456 . . 1 . . . A 27 GLU CB . 18475 1 287 . 1 1 27 27 GLU CG C 13 36.925 . . 1 . . . A 27 GLU CG . 18475 1 288 . 1 1 27 27 GLU N N 15 119.186 . . 1 . . . A 27 GLU N . 18475 1 289 . 1 1 28 28 THR H H 1 7.502 . . 1 . . . A 28 THR H . 18475 1 290 . 1 1 28 28 THR HA H 1 3.98 . . 1 . . . A 28 THR HA . 18475 1 291 . 1 1 28 28 THR HB H 1 4.195 . . 1 . . . A 28 THR HB . 18475 1 292 . 1 1 28 28 THR HG21 H 1 1.186 . . 1 . . . A 28 THR QG2 . 18475 1 293 . 1 1 28 28 THR HG22 H 1 1.186 . . 1 . . . A 28 THR QG2 . 18475 1 294 . 1 1 28 28 THR HG23 H 1 1.186 . . 1 . . . A 28 THR QG2 . 18475 1 295 . 1 1 28 28 THR CA C 13 66.119 . . 1 . . . A 28 THR CA . 18475 1 296 . 1 1 28 28 THR CB C 13 68.459 . . 1 . . . A 28 THR CB . 18475 1 297 . 1 1 28 28 THR CG2 C 13 22.004 . . 1 . . . A 28 THR CG2 . 18475 1 298 . 1 1 28 28 THR N N 15 117.846 . . 1 . . . A 28 THR N . 18475 1 299 . 1 1 29 29 VAL H H 1 8.025 . . 1 . . . A 29 VAL H . 18475 1 300 . 1 1 29 29 VAL HA H 1 3.427 . . 1 . . . A 29 VAL HA . 18475 1 301 . 1 1 29 29 VAL HB H 1 2.11 . . 1 . . . A 29 VAL HB . 18475 1 302 . 1 1 29 29 VAL HG11 H 1 1.141 . . 1 . . . A 29 VAL QG1 . 18475 1 303 . 1 1 29 29 VAL HG12 H 1 1.141 . . 1 . . . A 29 VAL QG1 . 18475 1 304 . 1 1 29 29 VAL HG13 H 1 1.141 . . 1 . . . A 29 VAL QG1 . 18475 1 305 . 1 1 29 29 VAL HG21 H 1 0.891 . . 1 . . . A 29 VAL QG2 . 18475 1 306 . 1 1 29 29 VAL HG22 H 1 0.891 . . 1 . . . A 29 VAL QG2 . 18475 1 307 . 1 1 29 29 VAL HG23 H 1 0.891 . . 1 . . . A 29 VAL QG2 . 18475 1 308 . 1 1 29 29 VAL CA C 13 67.399 . . 1 . . . A 29 VAL CA . 18475 1 309 . 1 1 29 29 VAL CB C 13 31.565 . . 1 . . . A 29 VAL CB . 18475 1 310 . 1 1 29 29 VAL CG1 C 13 24.017 . . 2 . . . A 29 VAL CG1 . 18475 1 311 . 1 1 29 29 VAL CG2 C 13 22.303 . . 2 . . . A 29 VAL CG2 . 18475 1 312 . 1 1 29 29 VAL N N 15 123.919 . . 1 . . . A 29 VAL N . 18475 1 313 . 1 1 30 30 LEU H H 1 8.971 . . 1 . . . A 30 LEU H . 18475 1 314 . 1 1 30 30 LEU HA H 1 3.975 . . 1 . . . A 30 LEU HA . 18475 1 315 . 1 1 30 30 LEU HB2 H 1 1.786 . . 2 . . . A 30 LEU HB2 . 18475 1 316 . 1 1 30 30 LEU HB3 H 1 1.613 . . 2 . . . A 30 LEU HB3 . 18475 1 317 . 1 1 30 30 LEU HG H 1 1.689 . . 1 . . . A 30 LEU HG . 18475 1 318 . 1 1 30 30 LEU HD11 H 1 0.894 . . 1 . . . A 30 LEU QD1 . 18475 1 319 . 1 1 30 30 LEU HD12 H 1 0.894 . . 1 . . . A 30 LEU QD1 . 18475 1 320 . 1 1 30 30 LEU HD13 H 1 0.894 . . 1 . . . A 30 LEU QD1 . 18475 1 321 . 1 1 30 30 LEU HD21 H 1 0.873 . . 1 . . . A 30 LEU QD2 . 18475 1 322 . 1 1 30 30 LEU HD22 H 1 0.873 . . 1 . . . A 30 LEU QD2 . 18475 1 323 . 1 1 30 30 LEU HD23 H 1 0.873 . . 1 . . . A 30 LEU QD2 . 18475 1 324 . 1 1 30 30 LEU CA C 13 58.952 . . 1 . . . A 30 LEU CA . 18475 1 325 . 1 1 30 30 LEU CB C 13 41.46 . . 1 . . . A 30 LEU CB . 18475 1 326 . 1 1 30 30 LEU CG C 13 26.963 . . 1 . . . A 30 LEU CG . 18475 1 327 . 1 1 30 30 LEU CD1 C 13 25.01 . . 2 . . . A 30 LEU CD1 . 18475 1 328 . 1 1 30 30 LEU CD2 C 13 23.827 . . 2 . . . A 30 LEU CD2 . 18475 1 329 . 1 1 30 30 LEU N N 15 122.82 . . 1 . . . A 30 LEU N . 18475 1 330 . 1 1 31 31 ALA H H 1 7.652 . . 1 . . . A 31 ALA H . 18475 1 331 . 1 1 31 31 ALA HA H 1 4.098 . . 1 . . . A 31 ALA HA . 18475 1 332 . 1 1 31 31 ALA HB1 H 1 1.508 . . 1 . . . A 31 ALA QB . 18475 1 333 . 1 1 31 31 ALA HB2 H 1 1.508 . . 1 . . . A 31 ALA QB . 18475 1 334 . 1 1 31 31 ALA HB3 H 1 1.508 . . 1 . . . A 31 ALA QB . 18475 1 335 . 1 1 31 31 ALA CA C 13 54.571 . . 1 . . . A 31 ALA CA . 18475 1 336 . 1 1 31 31 ALA CB C 13 17.915 . . 1 . . . A 31 ALA CB . 18475 1 337 . 1 1 31 31 ALA N N 15 120.021 . . 1 . . . A 31 ALA N . 18475 1 338 . 1 1 32 32 ALA H H 1 7.278 . . 1 . . . A 32 ALA H . 18475 1 339 . 1 1 32 32 ALA HA H 1 4.394 . . 1 . . . A 32 ALA HA . 18475 1 340 . 1 1 32 32 ALA HB1 H 1 1.457 . . 1 . . . A 32 ALA QB . 18475 1 341 . 1 1 32 32 ALA HB2 H 1 1.457 . . 1 . . . A 32 ALA QB . 18475 1 342 . 1 1 32 32 ALA HB3 H 1 1.457 . . 1 . . . A 32 ALA QB . 18475 1 343 . 1 1 32 32 ALA CA C 13 52.024 . . 1 . . . A 32 ALA CA . 18475 1 344 . 1 1 32 32 ALA CB C 13 19.367 . . 1 . . . A 32 ALA CB . 18475 1 345 . 1 1 32 32 ALA N N 15 117.285 . . 1 . . . A 32 ALA N . 18475 1 346 . 1 1 33 33 ASN H H 1 7.536 . . 1 . . . A 33 ASN H . 18475 1 347 . 1 1 33 33 ASN HA H 1 5.186 . . 1 . . . A 33 ASN HA . 18475 1 348 . 1 1 33 33 ASN HB2 H 1 2.639 . . 2 . . . A 33 ASN QB . 18475 1 349 . 1 1 33 33 ASN HB3 H 1 2.639 . . 2 . . . A 33 ASN QB . 18475 1 350 . 1 1 33 33 ASN HD21 H 1 8.462 . . 2 . . . A 33 ASN HD21 . 18475 1 351 . 1 1 33 33 ASN HD22 H 1 9.025 . . 2 . . . A 33 ASN HD22 . 18475 1 352 . 1 1 33 33 ASN CA C 13 51.229 . . 1 . . . A 33 ASN CA . 18475 1 353 . 1 1 33 33 ASN CB C 13 42.413 . . 1 . . . A 33 ASN CB . 18475 1 354 . 1 1 33 33 ASN N N 15 116.716 . . 1 . . . A 33 ASN N . 18475 1 355 . 1 1 33 33 ASN ND2 N 15 121.402 . . 1 . . . A 33 ASN ND2 . 18475 1 356 . 1 1 34 34 PRO HA H 1 4.487 . . 1 . . . A 34 PRO HA . 18475 1 357 . 1 1 34 34 PRO HB2 H 1 2.346 . . 2 . . . A 34 PRO QB . 18475 1 358 . 1 1 34 34 PRO HB3 H 1 2.346 . . 2 . . . A 34 PRO QB . 18475 1 359 . 1 1 34 34 PRO HG2 H 1 2.027 . . 2 . . . A 34 PRO QG . 18475 1 360 . 1 1 34 34 PRO HG3 H 1 2.027 . . 2 . . . A 34 PRO QG . 18475 1 361 . 1 1 34 34 PRO HD2 H 1 3.658 . . 2 . . . A 34 PRO HD2 . 18475 1 362 . 1 1 34 34 PRO HD3 H 1 3.479 . . 2 . . . A 34 PRO HD3 . 18475 1 363 . 1 1 34 34 PRO CA C 13 64.76 . . 1 . . . A 34 PRO CA . 18475 1 364 . 1 1 34 34 PRO CB C 13 31.414 . . 1 . . . A 34 PRO CB . 18475 1 365 . 1 1 34 34 PRO CG C 13 27.585 . . 1 . . . A 34 PRO CG . 18475 1 366 . 1 1 34 34 PRO CD C 13 50.081 . . 1 . . . A 34 PRO CD . 18475 1 367 . 1 1 35 35 GLY H H 1 8.911 . . 1 . . . A 35 GLY H . 18475 1 368 . 1 1 35 35 GLY HA2 H 1 4.05 . . 2 . . . A 35 GLY QA . 18475 1 369 . 1 1 35 35 GLY HA3 H 1 4.05 . . 2 . . . A 35 GLY QA . 18475 1 370 . 1 1 35 35 GLY CA C 13 45.64 . . 1 . . . A 35 GLY CA . 18475 1 371 . 1 1 35 35 GLY N N 15 110.626 . . 1 . . . A 35 GLY N . 18475 1 372 . 1 1 36 36 LEU H H 1 7.974 . . 1 . . . A 36 LEU H . 18475 1 373 . 1 1 36 36 LEU HA H 1 4.247 . . 1 . . . A 36 LEU HA . 18475 1 374 . 1 1 36 36 LEU HB2 H 1 1.864 . . 2 . . . A 36 LEU HB2 . 18475 1 375 . 1 1 36 36 LEU HB3 H 1 1.696 . . 2 . . . A 36 LEU HB3 . 18475 1 376 . 1 1 36 36 LEU HG H 1 1.806 . . 1 . . . A 36 LEU HG . 18475 1 377 . 1 1 36 36 LEU HD11 H 1 0.969 . . 1 . . . A 36 LEU QD1 . 18475 1 378 . 1 1 36 36 LEU HD12 H 1 0.969 . . 1 . . . A 36 LEU QD1 . 18475 1 379 . 1 1 36 36 LEU HD13 H 1 0.969 . . 1 . . . A 36 LEU QD1 . 18475 1 380 . 1 1 36 36 LEU HD21 H 1 0.892 . . 1 . . . A 36 LEU QD2 . 18475 1 381 . 1 1 36 36 LEU HD22 H 1 0.892 . . 1 . . . A 36 LEU QD2 . 18475 1 382 . 1 1 36 36 LEU HD23 H 1 0.892 . . 1 . . . A 36 LEU QD2 . 18475 1 383 . 1 1 36 36 LEU CA C 13 56.724 . . 1 . . . A 36 LEU CA . 18475 1 384 . 1 1 36 36 LEU CB C 13 41.981 . . 1 . . . A 36 LEU CB . 18475 1 385 . 1 1 36 36 LEU CG C 13 26.377 . . 1 . . . A 36 LEU CG . 18475 1 386 . 1 1 36 36 LEU CD1 C 13 25.419 . . 2 . . . A 36 LEU CD1 . 18475 1 387 . 1 1 36 36 LEU CD2 C 13 25.343 . . 2 . . . A 36 LEU CD2 . 18475 1 388 . 1 1 36 36 LEU N N 15 121.614 . . 1 . . . A 36 LEU N . 18475 1 389 . 1 1 37 37 ALA H H 1 8.215 . . 1 . . . A 37 ALA H . 18475 1 390 . 1 1 37 37 ALA HA H 1 4.143 . . 1 . . . A 37 ALA HA . 18475 1 391 . 1 1 37 37 ALA HB1 H 1 1.481 . . 1 . . . A 37 ALA QB . 18475 1 392 . 1 1 37 37 ALA HB2 H 1 1.481 . . 1 . . . A 37 ALA QB . 18475 1 393 . 1 1 37 37 ALA HB3 H 1 1.481 . . 1 . . . A 37 ALA QB . 18475 1 394 . 1 1 37 37 ALA CA C 13 54.442 . . 1 . . . A 37 ALA CA . 18475 1 395 . 1 1 37 37 ALA CB C 13 18.998 . . 1 . . . A 37 ALA CB . 18475 1 396 . 1 1 37 37 ALA N N 15 120.69 . . 1 . . . A 37 ALA N . 18475 1 397 . 1 1 38 38 GLU H H 1 7.982 . . 1 . . . A 38 GLU H . 18475 1 398 . 1 1 38 38 GLU HA H 1 4.291 . . 1 . . . A 38 GLU HA . 18475 1 399 . 1 1 38 38 GLU HB2 H 1 2.188 . . 2 . . . A 38 GLU QB . 18475 1 400 . 1 1 38 38 GLU HB3 H 1 2.188 . . 2 . . . A 38 GLU QB . 18475 1 401 . 1 1 38 38 GLU HG2 H 1 2.313 . . 2 . . . A 38 GLU QG . 18475 1 402 . 1 1 38 38 GLU HG3 H 1 2.313 . . 2 . . . A 38 GLU QG . 18475 1 403 . 1 1 38 38 GLU CA C 13 56.988 . . 1 . . . A 38 GLU CA . 18475 1 404 . 1 1 38 38 GLU CB C 13 29.839 . . 1 . . . A 38 GLU CB . 18475 1 405 . 1 1 38 38 GLU CG C 13 36.532 . . 1 . . . A 38 GLU CG . 18475 1 406 . 1 1 38 38 GLU N N 15 115.505 . . 1 . . . A 38 GLU N . 18475 1 407 . 1 1 39 39 LEU H H 1 7.76 . . 1 . . . A 39 LEU H . 18475 1 408 . 1 1 39 39 LEU HA H 1 4.269 . . 1 . . . A 39 LEU HA . 18475 1 409 . 1 1 39 39 LEU HB2 H 1 1.883 . . 2 . . . A 39 LEU HB2 . 18475 1 410 . 1 1 39 39 LEU HB3 H 1 1.625 . . 2 . . . A 39 LEU HB3 . 18475 1 411 . 1 1 39 39 LEU HG H 1 0.998 . . 1 . . . A 39 LEU HG . 18475 1 412 . 1 1 39 39 LEU HD11 H 1 0.969 . . 1 . . . A 39 LEU QD1 . 18475 1 413 . 1 1 39 39 LEU HD12 H 1 0.969 . . 1 . . . A 39 LEU QD1 . 18475 1 414 . 1 1 39 39 LEU HD13 H 1 0.969 . . 1 . . . A 39 LEU QD1 . 18475 1 415 . 1 1 39 39 LEU CA C 13 55.94 . . 1 . . . A 39 LEU CA . 18475 1 416 . 1 1 39 39 LEU CB C 13 42.308 . . 1 . . . A 39 LEU CB . 18475 1 417 . 1 1 39 39 LEU CG C 13 26.299 . . 1 . . . A 39 LEU CG . 18475 1 418 . 1 1 39 39 LEU CD1 C 13 23.005 . . 2 . . . A 39 LEU CD1 . 18475 1 419 . 1 1 39 39 LEU N N 15 119.888 . . 1 . . . A 39 LEU N . 18475 1 420 . 1 1 40 40 GLY H H 1 7.863 . . 1 . . . A 40 GLY H . 18475 1 421 . 1 1 40 40 GLY HA2 H 1 4.165 . . 2 . . . A 40 GLY HA2 . 18475 1 422 . 1 1 40 40 GLY HA3 H 1 3.89 . . 2 . . . A 40 GLY HA3 . 18475 1 423 . 1 1 40 40 GLY CA C 13 44.45 . . 1 . . . A 40 GLY CA . 18475 1 424 . 1 1 40 40 GLY N N 15 105.788 . . 1 . . . A 40 GLY N . 18475 1 425 . 1 1 41 41 ALA H H 1 7.956 . . 1 . . . A 41 ALA H . 18475 1 426 . 1 1 41 41 ALA HA H 1 4.181 . . 1 . . . A 41 ALA HA . 18475 1 427 . 1 1 41 41 ALA HB1 H 1 1.475 . . 1 . . . A 41 ALA QB . 18475 1 428 . 1 1 41 41 ALA HB2 H 1 1.475 . . 1 . . . A 41 ALA QB . 18475 1 429 . 1 1 41 41 ALA HB3 H 1 1.475 . . 1 . . . A 41 ALA QB . 18475 1 430 . 1 1 41 41 ALA CA C 13 54.089 . . 1 . . . A 41 ALA CA . 18475 1 431 . 1 1 41 41 ALA CB C 13 19.421 . . 1 . . . A 41 ALA CB . 18475 1 432 . 1 1 41 41 ALA N N 15 120.963 . . 1 . . . A 41 ALA N . 18475 1 433 . 1 1 42 42 VAL H H 1 7.848 . . 1 . . . A 42 VAL H . 18475 1 434 . 1 1 42 42 VAL HA H 1 4.206 . . 1 . . . A 42 VAL HA . 18475 1 435 . 1 1 42 42 VAL HB H 1 1.909 . . 1 . . . A 42 VAL HB . 18475 1 436 . 1 1 42 42 VAL HG11 H 1 0.878 . . 1 . . . A 42 VAL QQG . 18475 1 437 . 1 1 42 42 VAL HG12 H 1 0.878 . . 1 . . . A 42 VAL QQG . 18475 1 438 . 1 1 42 42 VAL HG13 H 1 0.878 . . 1 . . . A 42 VAL QQG . 18475 1 439 . 1 1 42 42 VAL HG21 H 1 0.878 . . 1 . . . A 42 VAL QQG . 18475 1 440 . 1 1 42 42 VAL HG22 H 1 0.878 . . 1 . . . A 42 VAL QQG . 18475 1 441 . 1 1 42 42 VAL HG23 H 1 0.878 . . 1 . . . A 42 VAL QQG . 18475 1 442 . 1 1 42 42 VAL CA C 13 61.658 . . 1 . . . A 42 VAL CA . 18475 1 443 . 1 1 42 42 VAL CB C 13 32.33 . . 1 . . . A 42 VAL CB . 18475 1 444 . 1 1 42 42 VAL CG1 C 13 21.399 . . 2 . . . A 42 VAL CG1 . 18475 1 445 . 1 1 42 42 VAL N N 15 116.969 . . 1 . . . A 42 VAL N . 18475 1 446 . 1 1 43 43 LEU H H 1 8.764 . . 1 . . . A 43 LEU H . 18475 1 447 . 1 1 43 43 LEU HA H 1 4.471 . . 1 . . . A 43 LEU HA . 18475 1 448 . 1 1 43 43 LEU HB2 H 1 1.528 . . 2 . . . A 43 LEU QB . 18475 1 449 . 1 1 43 43 LEU HB3 H 1 1.528 . . 2 . . . A 43 LEU QB . 18475 1 450 . 1 1 43 43 LEU HD11 H 1 0.721 . . 1 . . . A 43 LEU QD1 . 18475 1 451 . 1 1 43 43 LEU HD12 H 1 0.721 . . 1 . . . A 43 LEU QD1 . 18475 1 452 . 1 1 43 43 LEU HD13 H 1 0.721 . . 1 . . . A 43 LEU QD1 . 18475 1 453 . 1 1 43 43 LEU CA C 13 52.41 . . 1 . . . A 43 LEU CA . 18475 1 454 . 1 1 43 43 LEU CB C 13 42.204 . . 1 . . . A 43 LEU CB . 18475 1 455 . 1 1 43 43 LEU CD1 C 13 26.405 . . 2 . . . A 43 LEU CD1 . 18475 1 456 . 1 1 43 43 LEU N N 15 129.206 . . 1 . . . A 43 LEU N . 18475 1 457 . 1 1 44 44 PRO HA H 1 4.43 . . 1 . . . A 44 PRO HA . 18475 1 458 . 1 1 44 44 PRO HB2 H 1 1.663 . . 2 . . . A 44 PRO QB . 18475 1 459 . 1 1 44 44 PRO HB3 H 1 1.663 . . 2 . . . A 44 PRO QB . 18475 1 460 . 1 1 44 44 PRO HG2 H 1 2.114 . . 2 . . . A 44 PRO QG . 18475 1 461 . 1 1 44 44 PRO HG3 H 1 2.114 . . 2 . . . A 44 PRO QG . 18475 1 462 . 1 1 44 44 PRO HD2 H 1 4.059 . . 2 . . . A 44 PRO HD2 . 18475 1 463 . 1 1 44 44 PRO HD3 H 1 3.609 . . 2 . . . A 44 PRO HD3 . 18475 1 464 . 1 1 44 44 PRO CA C 13 62.426 . . 1 . . . A 44 PRO CA . 18475 1 465 . 1 1 44 44 PRO CB C 13 31.857 . . 1 . . . A 44 PRO CB . 18475 1 466 . 1 1 44 44 PRO CG C 13 27.755 . . 1 . . . A 44 PRO CG . 18475 1 467 . 1 1 44 44 PRO CD C 13 50.519 . . 1 . . . A 44 PRO CD . 18475 1 468 . 1 1 45 45 HIS H H 1 8.88 . . 1 . . . A 45 HIS H . 18475 1 469 . 1 1 45 45 HIS HA H 1 4.017 . . 1 . . . A 45 HIS HA . 18475 1 470 . 1 1 45 45 HIS HB2 H 1 3.028 . . 2 . . . A 45 HIS HB2 . 18475 1 471 . 1 1 45 45 HIS HB3 H 1 3.132 . . 2 . . . A 45 HIS HB3 . 18475 1 472 . 1 1 45 45 HIS HD2 H 1 7.181 . . 1 . . . A 45 HIS HD2 . 18475 1 473 . 1 1 45 45 HIS CA C 13 57.747 . . 1 . . . A 45 HIS CA . 18475 1 474 . 1 1 45 45 HIS CB C 13 31.007 . . 1 . . . A 45 HIS CB . 18475 1 475 . 1 1 45 45 HIS CD2 C 13 119.22 . . 1 . . . A 45 HIS CD2 . 18475 1 476 . 1 1 45 45 HIS N N 15 126.707 . . 1 . . . A 45 HIS N . 18475 1 477 . 1 1 46 46 GLY H H 1 9.143 . . 1 . . . A 46 GLY H . 18475 1 478 . 1 1 46 46 GLY HA2 H 1 3.456 . . 2 . . . A 46 GLY HA2 . 18475 1 479 . 1 1 46 46 GLY HA3 H 1 4.2 . . 2 . . . A 46 GLY HA3 . 18475 1 480 . 1 1 46 46 GLY CA C 13 45.091 . . 1 . . . A 46 GLY CA . 18475 1 481 . 1 1 46 46 GLY N N 15 115.148 . . 1 . . . A 46 GLY N . 18475 1 482 . 1 1 47 47 THR H H 1 7.68 . . 1 . . . A 47 THR H . 18475 1 483 . 1 1 47 47 THR HA H 1 3.919 . . 1 . . . A 47 THR HA . 18475 1 484 . 1 1 47 47 THR HB H 1 3.872 . . 1 . . . A 47 THR HB . 18475 1 485 . 1 1 47 47 THR HG21 H 1 1.167 . . 1 . . . A 47 THR QG2 . 18475 1 486 . 1 1 47 47 THR HG22 H 1 1.167 . . 1 . . . A 47 THR QG2 . 18475 1 487 . 1 1 47 47 THR HG23 H 1 1.167 . . 1 . . . A 47 THR QG2 . 18475 1 488 . 1 1 47 47 THR CA C 13 65.329 . . 1 . . . A 47 THR CA . 18475 1 489 . 1 1 47 47 THR CB C 13 70.171 . . 1 . . . A 47 THR CB . 18475 1 490 . 1 1 47 47 THR CG2 C 13 21.268 . . 1 . . . A 47 THR CG2 . 18475 1 491 . 1 1 47 47 THR N N 15 117.455 . . 1 . . . A 47 THR N . 18475 1 492 . 1 1 48 48 ALA H H 1 8.777 . . 1 . . . A 48 ALA H . 18475 1 493 . 1 1 48 48 ALA HA H 1 4.468 . . 1 . . . A 48 ALA HA . 18475 1 494 . 1 1 48 48 ALA HB1 H 1 1.303 . . 1 . . . A 48 ALA QB . 18475 1 495 . 1 1 48 48 ALA HB2 H 1 1.303 . . 1 . . . A 48 ALA QB . 18475 1 496 . 1 1 48 48 ALA HB3 H 1 1.303 . . 1 . . . A 48 ALA QB . 18475 1 497 . 1 1 48 48 ALA CA C 13 52.054 . . 1 . . . A 48 ALA CA . 18475 1 498 . 1 1 48 48 ALA CB C 13 19.536 . . 1 . . . A 48 ALA CB . 18475 1 499 . 1 1 48 48 ALA N N 15 131.425 . . 1 . . . A 48 ALA N . 18475 1 500 . 1 1 49 49 VAL H H 1 8.564 . . 1 . . . A 49 VAL H . 18475 1 501 . 1 1 49 49 VAL HA H 1 3.958 . . 1 . . . A 49 VAL HA . 18475 1 502 . 1 1 49 49 VAL HB H 1 1.547 . . 1 . . . A 49 VAL HB . 18475 1 503 . 1 1 49 49 VAL HG11 H 1 0.608 . . 1 . . . A 49 VAL QG1 . 18475 1 504 . 1 1 49 49 VAL HG12 H 1 0.608 . . 1 . . . A 49 VAL QG1 . 18475 1 505 . 1 1 49 49 VAL HG13 H 1 0.608 . . 1 . . . A 49 VAL QG1 . 18475 1 506 . 1 1 49 49 VAL HG21 H 1 0.655 . . 1 . . . A 49 VAL QG2 . 18475 1 507 . 1 1 49 49 VAL HG22 H 1 0.655 . . 1 . . . A 49 VAL QG2 . 18475 1 508 . 1 1 49 49 VAL HG23 H 1 0.655 . . 1 . . . A 49 VAL QG2 . 18475 1 509 . 1 1 49 49 VAL CA C 13 61.422 . . 1 . . . A 49 VAL CA . 18475 1 510 . 1 1 49 49 VAL CB C 13 34.974 . . 1 . . . A 49 VAL CB . 18475 1 511 . 1 1 49 49 VAL CG1 C 13 21.467 . . 2 . . . A 49 VAL CG1 . 18475 1 512 . 1 1 49 49 VAL CG2 C 13 20.488 . . 2 . . . A 49 VAL CG2 . 18475 1 513 . 1 1 49 49 VAL N N 15 122.72 . . 1 . . . A 49 VAL N . 18475 1 514 . 1 1 50 50 GLU H H 1 9.632 . . 1 . . . A 50 GLU H . 18475 1 515 . 1 1 50 50 GLU HA H 1 4.328 . . 1 . . . A 50 GLU HA . 18475 1 516 . 1 1 50 50 GLU HB2 H 1 1.818 . . 2 . . . A 50 GLU QB . 18475 1 517 . 1 1 50 50 GLU HB3 H 1 1.818 . . 2 . . . A 50 GLU QB . 18475 1 518 . 1 1 50 50 GLU HG2 H 1 2.287 . . 2 . . . A 50 GLU HG2 . 18475 1 519 . 1 1 50 50 GLU HG3 H 1 1.963 . . 2 . . . A 50 GLU HG3 . 18475 1 520 . 1 1 50 50 GLU CA C 13 55.869 . . 1 . . . A 50 GLU CA . 18475 1 521 . 1 1 50 50 GLU CB C 13 29.777 . . 1 . . . A 50 GLU CB . 18475 1 522 . 1 1 50 50 GLU CG C 13 35.168 . . 1 . . . A 50 GLU CG . 18475 1 523 . 1 1 50 50 GLU N N 15 129.105 . . 1 . . . A 50 GLU N . 18475 1 524 . 1 1 51 51 LEU H H 1 8.474 . . 1 . . . A 51 LEU H . 18475 1 525 . 1 1 51 51 LEU HA H 1 4.944 . . 1 . . . A 51 LEU HA . 18475 1 526 . 1 1 51 51 LEU HB2 H 1 1.466 . . 2 . . . A 51 LEU HB2 . 18475 1 527 . 1 1 51 51 LEU HB3 H 1 1.188 . . 2 . . . A 51 LEU HB3 . 18475 1 528 . 1 1 51 51 LEU HD11 H 1 -0.064 . . 1 . . . A 51 LEU QD1 . 18475 1 529 . 1 1 51 51 LEU HD12 H 1 -0.064 . . 1 . . . A 51 LEU QD1 . 18475 1 530 . 1 1 51 51 LEU HD13 H 1 -0.064 . . 1 . . . A 51 LEU QD1 . 18475 1 531 . 1 1 51 51 LEU HD21 H 1 0.633 . . 1 . . . A 51 LEU QD2 . 18475 1 532 . 1 1 51 51 LEU HD22 H 1 0.633 . . 1 . . . A 51 LEU QD2 . 18475 1 533 . 1 1 51 51 LEU HD23 H 1 0.633 . . 1 . . . A 51 LEU QD2 . 18475 1 534 . 1 1 51 51 LEU CA C 13 50.984 . . 1 . . . A 51 LEU CA . 18475 1 535 . 1 1 51 51 LEU CB C 13 40.919 . . 1 . . . A 51 LEU CB . 18475 1 536 . 1 1 51 51 LEU CD1 C 13 25.91 . . 2 . . . A 51 LEU CD1 . 18475 1 537 . 1 1 51 51 LEU CD2 C 13 23.189 . . 2 . . . A 51 LEU CD2 . 18475 1 538 . 1 1 51 51 LEU N N 15 126.085 . . 1 . . . A 51 LEU N . 18475 1 539 . 1 1 52 52 PRO HA H 1 4.492 . . 1 . . . A 52 PRO HA . 18475 1 540 . 1 1 52 52 PRO HB2 H 1 2.287 . . 2 . . . A 52 PRO HB2 . 18475 1 541 . 1 1 52 52 PRO HB3 H 1 1.827 . . 2 . . . A 52 PRO HB3 . 18475 1 542 . 1 1 52 52 PRO HG2 H 1 1.754 . . 2 . . . A 52 PRO QG . 18475 1 543 . 1 1 52 52 PRO HG3 H 1 1.754 . . 2 . . . A 52 PRO QG . 18475 1 544 . 1 1 52 52 PRO HD2 H 1 3.813 . . 2 . . . A 52 PRO QD . 18475 1 545 . 1 1 52 52 PRO HD3 H 1 3.813 . . 2 . . . A 52 PRO QD . 18475 1 546 . 1 1 52 52 PRO CA C 13 62.13 . . 1 . . . A 52 PRO CA . 18475 1 547 . 1 1 52 52 PRO CB C 13 32.587 . . 1 . . . A 52 PRO CB . 18475 1 548 . 1 1 52 52 PRO CG C 13 27.29 . . 1 . . . A 52 PRO CG . 18475 1 549 . 1 1 52 52 PRO CD C 13 50.95 . . 1 . . . A 52 PRO CD . 18475 1 550 . 1 1 53 53 ASP H H 1 8.737 . . 1 . . . A 53 ASP H . 18475 1 551 . 1 1 53 53 ASP HA H 1 4.675 . . 1 . . . A 53 ASP HA . 18475 1 552 . 1 1 53 53 ASP HB2 H 1 2.774 . . 2 . . . A 53 ASP HB2 . 18475 1 553 . 1 1 53 53 ASP HB3 H 1 2.666 . . 2 . . . A 53 ASP HB3 . 18475 1 554 . 1 1 53 53 ASP CA C 13 55.12 . . 1 . . . A 53 ASP CA . 18475 1 555 . 1 1 53 53 ASP CB C 13 40.49 . . 1 . . . A 53 ASP CB . 18475 1 556 . 1 1 53 53 ASP N N 15 120.95 . . 1 . . . A 53 ASP N . 18475 1 557 . 1 1 54 54 VAL H H 1 8.161 . . 1 . . . A 54 VAL H . 18475 1 558 . 1 1 54 54 VAL HA H 1 4.197 . . 1 . . . A 54 VAL HA . 18475 1 559 . 1 1 54 54 VAL HB H 1 2.032 . . 1 . . . A 54 VAL HB . 18475 1 560 . 1 1 54 54 VAL HG11 H 1 0.86 . . 1 . . . A 54 VAL QG1 . 18475 1 561 . 1 1 54 54 VAL HG12 H 1 0.86 . . 1 . . . A 54 VAL QG1 . 18475 1 562 . 1 1 54 54 VAL HG13 H 1 0.86 . . 1 . . . A 54 VAL QG1 . 18475 1 563 . 1 1 54 54 VAL HG21 H 1 0.774 . . 1 . . . A 54 VAL QG2 . 18475 1 564 . 1 1 54 54 VAL HG22 H 1 0.774 . . 1 . . . A 54 VAL QG2 . 18475 1 565 . 1 1 54 54 VAL HG23 H 1 0.774 . . 1 . . . A 54 VAL QG2 . 18475 1 566 . 1 1 54 54 VAL CA C 13 62.03 . . 1 . . . A 54 VAL CA . 18475 1 567 . 1 1 54 54 VAL CB C 13 33.327 . . 1 . . . A 54 VAL CB . 18475 1 568 . 1 1 54 54 VAL CG1 C 13 21.606 . . 2 . . . A 54 VAL CG1 . 18475 1 569 . 1 1 54 54 VAL CG2 C 13 21.101 . . 2 . . . A 54 VAL CG2 . 18475 1 570 . 1 1 54 54 VAL N N 15 121.459 . . 1 . . . A 54 VAL N . 18475 1 571 . 1 1 55 55 GLN H H 1 8.623 . . 1 . . . A 55 GLN H . 18475 1 572 . 1 1 55 55 GLN HA H 1 4.431 . . 1 . . . A 55 GLN HA . 18475 1 573 . 1 1 55 55 GLN HB2 H 1 2.156 . . 2 . . . A 55 GLN HB2 . 18475 1 574 . 1 1 55 55 GLN HB3 H 1 2.039 . . 2 . . . A 55 GLN HB3 . 18475 1 575 . 1 1 55 55 GLN HG2 H 1 2.377 . . 2 . . . A 55 GLN QG . 18475 1 576 . 1 1 55 55 GLN HG3 H 1 2.377 . . 2 . . . A 55 GLN QG . 18475 1 577 . 1 1 55 55 GLN CA C 13 56.109 . . 1 . . . A 55 GLN CA . 18475 1 578 . 1 1 55 55 GLN CB C 13 29.484 . . 1 . . . A 55 GLN CB . 18475 1 579 . 1 1 55 55 GLN N N 15 124.703 . . 1 . . . A 55 GLN N . 18475 1 580 . 1 1 56 56 THR HA H 1 4.332 . . 1 . . . A 56 THR HA . 18475 1 581 . 1 1 56 56 THR HB H 1 4.213 . . 1 . . . A 56 THR HB . 18475 1 582 . 1 1 56 56 THR HG21 H 1 1.208 . . 1 . . . A 56 THR QG2 . 18475 1 583 . 1 1 56 56 THR HG22 H 1 1.208 . . 1 . . . A 56 THR QG2 . 18475 1 584 . 1 1 56 56 THR HG23 H 1 1.208 . . 1 . . . A 56 THR QG2 . 18475 1 585 . 1 1 56 56 THR CA C 13 61.688 . . 1 . . . A 56 THR CA . 18475 1 586 . 1 1 56 56 THR CB C 13 69.969 . . 1 . . . A 56 THR CB . 18475 1 587 . 1 1 56 56 THR CG2 C 13 21.687 . . 1 . . . A 56 THR CG2 . 18475 1 588 . 1 1 57 57 ALA H H 1 8.277 . . 1 . . . A 57 ALA H . 18475 1 589 . 1 1 57 57 ALA HA H 1 4.653 . . 1 . . . A 57 ALA HA . 18475 1 590 . 1 1 57 57 ALA HB1 H 1 1.375 . . 1 . . . A 57 ALA QB . 18475 1 591 . 1 1 57 57 ALA HB2 H 1 1.375 . . 1 . . . A 57 ALA QB . 18475 1 592 . 1 1 57 57 ALA HB3 H 1 1.375 . . 1 . . . A 57 ALA QB . 18475 1 593 . 1 1 57 57 ALA CA C 13 50.572 . . 1 . . . A 57 ALA CA . 18475 1 594 . 1 1 57 57 ALA CB C 13 18.397 . . 1 . . . A 57 ALA CB . 18475 1 595 . 1 1 57 57 ALA N N 15 127.534 . . 1 . . . A 57 ALA N . 18475 1 596 . 1 1 58 58 PRO HA H 1 4.484 . . 1 . . . A 58 PRO HA . 18475 1 597 . 1 1 58 58 PRO HB2 H 1 2.27 . . 2 . . . A 58 PRO QB . 18475 1 598 . 1 1 58 58 PRO HB3 H 1 2.27 . . 2 . . . A 58 PRO QB . 18475 1 599 . 1 1 58 58 PRO HG2 H 1 2.027 . . 2 . . . A 58 PRO QG . 18475 1 600 . 1 1 58 58 PRO HG3 H 1 2.027 . . 2 . . . A 58 PRO QG . 18475 1 601 . 1 1 58 58 PRO HD2 H 1 3.788 . . 2 . . . A 58 PRO HD2 . 18475 1 602 . 1 1 58 58 PRO HD3 H 1 3.642 . . 2 . . . A 58 PRO HD3 . 18475 1 603 . 1 1 58 58 PRO CA C 13 62.41 . . 1 . . . A 58 PRO CA . 18475 1 604 . 1 1 58 58 PRO CB C 13 32.03 . . 1 . . . A 58 PRO CB . 18475 1 605 . 1 1 58 58 PRO CG C 13 27.295 . . 1 . . . A 58 PRO CG . 18475 1 606 . 1 1 58 58 PRO CD C 13 50.487 . . 1 . . . A 58 PRO CD . 18475 1 607 . 1 1 59 59 VAL H H 1 8.219 . . 1 . . . A 59 VAL H . 18475 1 608 . 1 1 59 59 VAL HA H 1 4.067 . . 1 . . . A 59 VAL HA . 18475 1 609 . 1 1 59 59 VAL HB H 1 2.051 . . 1 . . . A 59 VAL HB . 18475 1 610 . 1 1 59 59 VAL HG11 H 1 0.949 . . 1 . . . A 59 VAL QQG . 18475 1 611 . 1 1 59 59 VAL HG12 H 1 0.949 . . 1 . . . A 59 VAL QQG . 18475 1 612 . 1 1 59 59 VAL HG13 H 1 0.949 . . 1 . . . A 59 VAL QQG . 18475 1 613 . 1 1 59 59 VAL HG21 H 1 0.949 . . 1 . . . A 59 VAL QQG . 18475 1 614 . 1 1 59 59 VAL HG22 H 1 0.949 . . 1 . . . A 59 VAL QQG . 18475 1 615 . 1 1 59 59 VAL HG23 H 1 0.949 . . 1 . . . A 59 VAL QQG . 18475 1 616 . 1 1 59 59 VAL CA C 13 62.396 . . 1 . . . A 59 VAL CA . 18475 1 617 . 1 1 59 59 VAL CB C 13 32.832 . . 1 . . . A 59 VAL CB . 18475 1 618 . 1 1 59 59 VAL CG1 C 13 20.957 . . 2 . . . A 59 VAL CG1 . 18475 1 619 . 1 1 59 59 VAL N N 15 120.618 . . 1 . . . A 59 VAL N . 18475 1 620 . 1 1 60 60 ALA H H 1 8.399 . . 1 . . . A 60 ALA H . 18475 1 621 . 1 1 60 60 ALA HA H 1 4.322 . . 1 . . . A 60 ALA HA . 18475 1 622 . 1 1 60 60 ALA HB1 H 1 1.402 . . 1 . . . A 60 ALA QB . 18475 1 623 . 1 1 60 60 ALA HB2 H 1 1.402 . . 1 . . . A 60 ALA QB . 18475 1 624 . 1 1 60 60 ALA HB3 H 1 1.402 . . 1 . . . A 60 ALA QB . 18475 1 625 . 1 1 60 60 ALA CA C 13 52.641 . . 1 . . . A 60 ALA CA . 18475 1 626 . 1 1 60 60 ALA CB C 13 19.368 . . 1 . . . A 60 ALA CB . 18475 1 627 . 1 1 60 60 ALA N N 15 127.858 . . 1 . . . A 60 ALA N . 18475 1 628 . 1 1 61 61 GLU H H 1 8.405 . . 1 . . . A 61 GLU H . 18475 1 629 . 1 1 61 61 GLU HA H 1 4.305 . . 1 . . . A 61 GLU HA . 18475 1 630 . 1 1 61 61 GLU HB2 H 1 2.072 . . 2 . . . A 61 GLU QB . 18475 1 631 . 1 1 61 61 GLU HB3 H 1 2.072 . . 2 . . . A 61 GLU QB . 18475 1 632 . 1 1 61 61 GLU HG2 H 1 2.266 . . 2 . . . A 61 GLU QG . 18475 1 633 . 1 1 61 61 GLU HG3 H 1 2.266 . . 2 . . . A 61 GLU QG . 18475 1 634 . 1 1 61 61 GLU CA C 13 56.778 . . 1 . . . A 61 GLU CA . 18475 1 635 . 1 1 61 61 GLU CB C 13 30.357 . . 1 . . . A 61 GLU CB . 18475 1 636 . 1 1 61 61 GLU CG C 13 36.392 . . 1 . . . A 61 GLU CG . 18475 1 637 . 1 1 61 61 GLU N N 15 120.215 . . 1 . . . A 61 GLU N . 18475 1 638 . 1 1 62 62 THR H H 1 8.166 . . 1 . . . A 62 THR H . 18475 1 639 . 1 1 62 62 THR HA H 1 4.327 . . 1 . . . A 62 THR HA . 18475 1 640 . 1 1 62 62 THR HB H 1 4.193 . . 1 . . . A 62 THR HB . 18475 1 641 . 1 1 62 62 THR HG21 H 1 1.193 . . 1 . . . A 62 THR QG2 . 18475 1 642 . 1 1 62 62 THR HG22 H 1 1.193 . . 1 . . . A 62 THR QG2 . 18475 1 643 . 1 1 62 62 THR HG23 H 1 1.193 . . 1 . . . A 62 THR QG2 . 18475 1 644 . 1 1 62 62 THR CA C 13 61.984 . . 1 . . . A 62 THR CA . 18475 1 645 . 1 1 62 62 THR CB C 13 69.856 . . 1 . . . A 62 THR CB . 18475 1 646 . 1 1 62 62 THR CG2 C 13 21.557 . . 1 . . . A 62 THR CG2 . 18475 1 647 . 1 1 62 62 THR N N 15 115.392 . . 1 . . . A 62 THR N . 18475 1 648 . 1 1 63 63 VAL H H 1 8.099 . . 1 . . . A 63 VAL H . 18475 1 649 . 1 1 63 63 VAL HA H 1 4.047 . . 1 . . . A 63 VAL HA . 18475 1 650 . 1 1 63 63 VAL HB H 1 2.032 . . 1 . . . A 63 VAL HB . 18475 1 651 . 1 1 63 63 VAL HG11 H 1 0.869 . . 1 . . . A 63 VAL QQG . 18475 1 652 . 1 1 63 63 VAL HG12 H 1 0.869 . . 1 . . . A 63 VAL QQG . 18475 1 653 . 1 1 63 63 VAL HG13 H 1 0.869 . . 1 . . . A 63 VAL QQG . 18475 1 654 . 1 1 63 63 VAL HG21 H 1 0.869 . . 1 . . . A 63 VAL QQG . 18475 1 655 . 1 1 63 63 VAL HG22 H 1 0.869 . . 1 . . . A 63 VAL QQG . 18475 1 656 . 1 1 63 63 VAL HG23 H 1 0.869 . . 1 . . . A 63 VAL QQG . 18475 1 657 . 1 1 63 63 VAL CA C 13 62.272 . . 1 . . . A 63 VAL CA . 18475 1 658 . 1 1 63 63 VAL CB C 13 32.853 . . 1 . . . A 63 VAL CB . 18475 1 659 . 1 1 63 63 VAL CG1 C 13 20.919 . . 2 . . . A 63 VAL CG1 . 18475 1 660 . 1 1 63 63 VAL N N 15 122.511 . . 1 . . . A 63 VAL N . 18475 1 661 . 1 1 64 64 ASN H H 1 8.471 . . 1 . . . A 64 ASN H . 18475 1 662 . 1 1 64 64 ASN HA H 1 4.623 . . 1 . . . A 64 ASN HA . 18475 1 663 . 1 1 64 64 ASN HB2 H 1 2.538 . . 2 . . . A 64 ASN HB2 . 18475 1 664 . 1 1 64 64 ASN HB3 H 1 2.416 . . 2 . . . A 64 ASN HB3 . 18475 1 665 . 1 1 64 64 ASN CA C 13 52.901 . . 1 . . . A 64 ASN CA . 18475 1 666 . 1 1 64 64 ASN CB C 13 38.541 . . 1 . . . A 64 ASN CB . 18475 1 667 . 1 1 64 64 ASN N N 15 122.642 . . 1 . . . A 64 ASN N . 18475 1 668 . 1 1 65 65 LEU H H 1 8.226 . . 1 . . . A 65 LEU H . 18475 1 669 . 1 1 65 65 LEU HA H 1 4.164 . . 1 . . . A 65 LEU HA . 18475 1 670 . 1 1 65 65 LEU HB2 H 1 1.487 . . 2 . . . A 65 LEU HB2 . 18475 1 671 . 1 1 65 65 LEU HB3 H 1 1.431 . . 2 . . . A 65 LEU HB3 . 18475 1 672 . 1 1 65 65 LEU HG H 1 1.524 . . 1 . . . A 65 LEU HG . 18475 1 673 . 1 1 65 65 LEU HD11 H 1 0.869 . . 1 . . . A 65 LEU QD1 . 18475 1 674 . 1 1 65 65 LEU HD12 H 1 0.869 . . 1 . . . A 65 LEU QD1 . 18475 1 675 . 1 1 65 65 LEU HD13 H 1 0.869 . . 1 . . . A 65 LEU QD1 . 18475 1 676 . 1 1 65 65 LEU HD21 H 1 0.784 . . 1 . . . A 65 LEU QD2 . 18475 1 677 . 1 1 65 65 LEU HD22 H 1 0.784 . . 1 . . . A 65 LEU QD2 . 18475 1 678 . 1 1 65 65 LEU HD23 H 1 0.784 . . 1 . . . A 65 LEU QD2 . 18475 1 679 . 1 1 65 65 LEU CA C 13 56.164 . . 1 . . . A 65 LEU CA . 18475 1 680 . 1 1 65 65 LEU CB C 13 41.989 . . 1 . . . A 65 LEU CB . 18475 1 681 . 1 1 65 65 LEU CG C 13 26.8 . . 1 . . . A 65 LEU CG . 18475 1 682 . 1 1 65 65 LEU CD1 C 13 24.855 . . 2 . . . A 65 LEU CD1 . 18475 1 683 . 1 1 65 65 LEU CD2 C 13 23.378 . . 2 . . . A 65 LEU CD2 . 18475 1 684 . 1 1 65 65 LEU N N 15 123.365 . . 1 . . . A 65 LEU N . 18475 1 685 . 1 1 66 66 TRP H H 1 7.886 . . 1 . . . A 66 TRP H . 18475 1 686 . 1 1 66 66 TRP HA H 1 4.644 . . 1 . . . A 66 TRP HA . 18475 1 687 . 1 1 66 66 TRP HB2 H 1 3.326 . . 2 . . . A 66 TRP HB2 . 18475 1 688 . 1 1 66 66 TRP HB3 H 1 3.284 . . 2 . . . A 66 TRP HB3 . 18475 1 689 . 1 1 66 66 TRP HD1 H 1 7.224 . . 1 . . . A 66 TRP HD1 . 18475 1 690 . 1 1 66 66 TRP HE1 H 1 10.135 . . 1 . . . A 66 TRP HE1 . 18475 1 691 . 1 1 66 66 TRP HE3 H 1 7.594 . . 1 . . . A 66 TRP HE3 . 18475 1 692 . 1 1 66 66 TRP HZ2 H 1 7.404 . . 1 . . . A 66 TRP HZ2 . 18475 1 693 . 1 1 66 66 TRP HZ3 H 1 7.165 . . 1 . . . A 66 TRP HZ3 . 18475 1 694 . 1 1 66 66 TRP CA C 13 57.818 . . 1 . . . A 66 TRP CA . 18475 1 695 . 1 1 66 66 TRP CB C 13 29.145 . . 1 . . . A 66 TRP CB . 18475 1 696 . 1 1 66 66 TRP CD1 C 13 127.2 . . 1 . . . A 66 TRP CD1 . 18475 1 697 . 1 1 66 66 TRP CE3 C 13 121.2 . . 1 . . . A 66 TRP CE3 . 18475 1 698 . 1 1 66 66 TRP CZ2 C 13 114.6 . . 1 . . . A 66 TRP CZ2 . 18475 1 699 . 1 1 66 66 TRP CZ3 C 13 124.8 . . 1 . . . A 66 TRP CZ3 . 18475 1 700 . 1 1 66 66 TRP N N 15 119.27 . . 1 . . . A 66 TRP N . 18475 1 701 . 1 1 66 66 TRP NE1 N 15 129.554 . . 1 . . . A 66 TRP NE1 . 18475 1 702 . 1 1 67 67 GLU H H 1 7.982 . . 1 . . . A 67 GLU H . 18475 1 703 . 1 1 67 67 GLU HA H 1 4.224 . . 1 . . . A 67 GLU HA . 18475 1 704 . 1 1 67 67 GLU HB2 H 1 2.022 . . 2 . . . A 67 GLU QB . 18475 1 705 . 1 1 67 67 GLU HB3 H 1 2.022 . . 2 . . . A 67 GLU QB . 18475 1 706 . 1 1 67 67 GLU HG2 H 1 2.116 . . 2 . . . A 67 GLU QG . 18475 1 707 . 1 1 67 67 GLU HG3 H 1 2.116 . . 2 . . . A 67 GLU QG . 18475 1 708 . 1 1 67 67 GLU CA C 13 56.983 . . 1 . . . A 67 GLU CA . 18475 1 709 . 1 1 67 67 GLU CB C 13 30.211 . . 1 . . . A 67 GLU CB . 18475 1 710 . 1 1 67 67 GLU CG C 13 36.398 . . 1 . . . A 67 GLU CG . 18475 1 711 . 1 1 67 67 GLU N N 15 121.087 . . 1 . . . A 67 GLU N . 18475 1 712 . 1 1 68 68 VAL H H 1 7.836 . . 1 . . . A 68 VAL H . 18475 1 713 . 1 1 68 68 VAL HA H 1 3.987 . . 1 . . . A 68 VAL HA . 18475 1 714 . 1 1 68 68 VAL HB H 1 2.045 . . 1 . . . A 68 VAL HB . 18475 1 715 . 1 1 68 68 VAL HG11 H 1 0.9 . . 1 . . . A 68 VAL QG1 . 18475 1 716 . 1 1 68 68 VAL HG12 H 1 0.9 . . 1 . . . A 68 VAL QG1 . 18475 1 717 . 1 1 68 68 VAL HG13 H 1 0.9 . . 1 . . . A 68 VAL QG1 . 18475 1 718 . 1 1 68 68 VAL HG21 H 1 0.919 . . 1 . . . A 68 VAL QG2 . 18475 1 719 . 1 1 68 68 VAL HG22 H 1 0.919 . . 1 . . . A 68 VAL QG2 . 18475 1 720 . 1 1 68 68 VAL HG23 H 1 0.919 . . 1 . . . A 68 VAL QG2 . 18475 1 721 . 1 1 68 68 VAL CA C 13 62.829 . . 1 . . . A 68 VAL CA . 18475 1 722 . 1 1 68 68 VAL CB C 13 32.734 . . 1 . . . A 68 VAL CB . 18475 1 723 . 1 1 68 68 VAL CG1 C 13 21 . . 2 . . . A 68 VAL CG1 . 18475 1 724 . 1 1 68 68 VAL CG2 C 13 21 . . 2 . . . A 68 VAL CG2 . 18475 1 725 . 1 1 68 68 VAL N N 15 119.603 . . 1 . . . A 68 VAL N . 18475 1 726 . 1 1 69 69 GLU H H 1 8.287 . . 1 . . . A 69 GLU H . 18475 1 727 . 1 1 69 69 GLU HA H 1 4.183 . . 1 . . . A 69 GLU HA . 18475 1 728 . 1 1 69 69 GLU HB2 H 1 1.883 . . 2 . . . A 69 GLU QB . 18475 1 729 . 1 1 69 69 GLU HB3 H 1 1.883 . . 2 . . . A 69 GLU QB . 18475 1 730 . 1 1 69 69 GLU HG2 H 1 2.183 . . 2 . . . A 69 GLU QG . 18475 1 731 . 1 1 69 69 GLU HG3 H 1 2.183 . . 2 . . . A 69 GLU QG . 18475 1 732 . 1 1 69 69 GLU CA C 13 56.886 . . 1 . . . A 69 GLU CA . 18475 1 733 . 1 1 69 69 GLU CB C 13 30.236 . . 1 . . . A 69 GLU CB . 18475 1 734 . 1 1 69 69 GLU CG C 13 36.291 . . 1 . . . A 69 GLU CG . 18475 1 735 . 1 1 69 69 GLU N N 15 122.754 . . 1 . . . A 69 GLU N . 18475 1 736 . 1 1 70 70 HIS H H 1 8.145 . . 1 . . . A 70 HIS H . 18475 1 737 . 1 1 70 70 HIS N N 15 119.727 . . 1 . . . A 70 HIS N . 18475 1 738 . 1 1 71 71 HIS H H 1 7.972 . . 1 . . . A 71 HIS H . 18475 1 739 . 1 1 71 71 HIS N N 15 125.645 . . 1 . . . A 71 HIS N . 18475 1 stop_ save_