data_7116 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7116 _Entry.Title ; The solution structure of PHS018 from pyrococcus horikoshii ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-05-17 _Entry.Accession_date 2006-05-17 _Entry.Last_release_date 2006-11-13 _Entry.Original_release_date 2006-11-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 M. Coles . . . 7116 2 M. Hulko . . . 7116 3 V. Truffault . . . 7116 4 J. Martin . . . 7116 5 A. Lupas . N. . 7116 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7116 coupling_constants 1 7116 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 420 7116 '15N chemical shifts' 89 7116 '1H chemical shifts' 700 7116 'coupling constants' 83 7116 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 . . 2006-11-13 2006-05-17 original author . 7116 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2GLW 'BMRB Entry Tracking System' 7116 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7116 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17027498 _Citation.Full_citation . _Citation.Title 'Common evolutionary origin of swapped-hairpin and double-psi beta barrels' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 10 _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 1489 _Citation.Page_last 1498 _Citation.Year 2006 _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 M. Coles . . . 7116 1 2 M. Hulko . . . 7116 1 3 S. Djuranovic . . . 7116 1 4 V. Truffault . . . 7116 1 5 K. Koretke . . . 7116 1 6 J. Martin . . . 7116 1 7 A. Lupas . N. . 7116 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID BIOINFORMATICS 7116 1 NMR 7116 1 'RIFT BARREL' 7116 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_PhS018 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_PhS018 _Assembly.Entry_ID 7116 _Assembly.ID 1 _Assembly.Name '92aa long hypothetical protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 7116 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 '92aa long hypothetical protein' 1 $PHS018 . . . native . . . . . 7116 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2GLW . . . . . . 7116 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID '92aa long hypothetical protein' system 7116 1 PhS018 abbreviation 7116 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PHS018 _Entity.Sf_category entity _Entity.Sf_framecode PHS018 _Entity.Entry_ID 7116 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PhS018 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDVLAKFHTTVHRIGRIIIP AGTRKFYGIEQGDFVEIKIV KYEGEEPKEGTFTARVGEQG SVIIPKALRDVIGIKPGEVI EVLLLGHYKPRN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2GLW . "The Solution Structure Of Phs018 From Pyrococcus Horikoshii" . . . . . 100.00 92 100.00 100.00 6.73e-57 . . . . 7116 1 2 no DBJ BAA29497 . "92aa long hypothetical protein [Pyrococcus horikoshii OT3]" . . . . . 100.00 92 100.00 100.00 6.73e-57 . . . . 7116 1 3 no REF NP_142395 . "hypothetical protein PHS018 [Pyrococcus horikoshii OT3]" . . . . . 100.00 92 100.00 100.00 6.73e-57 . . . . 7116 1 4 no REF WP_010884522 . "AbrB family transcriptional regulator [Pyrococcus horikoshii]" . . . . . 100.00 92 100.00 100.00 6.73e-57 . . . . 7116 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID PhS018 abbreviation 7116 1 PhS018 common 7116 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 . 7116 1 2 . ASP . 7116 1 3 . VAL . 7116 1 4 . LEU . 7116 1 5 . ALA . 7116 1 6 . LYS . 7116 1 7 . PHE . 7116 1 8 . HIS . 7116 1 9 . THR . 7116 1 10 . THR . 7116 1 11 . VAL . 7116 1 12 . HIS . 7116 1 13 . ARG . 7116 1 14 . ILE . 7116 1 15 . GLY . 7116 1 16 . ARG . 7116 1 17 . ILE . 7116 1 18 . ILE . 7116 1 19 . ILE . 7116 1 20 . PRO . 7116 1 21 . ALA . 7116 1 22 . GLY . 7116 1 23 . THR . 7116 1 24 . ARG . 7116 1 25 . LYS . 7116 1 26 . PHE . 7116 1 27 . TYR . 7116 1 28 . GLY . 7116 1 29 . ILE . 7116 1 30 . GLU . 7116 1 31 . GLN . 7116 1 32 . GLY . 7116 1 33 . ASP . 7116 1 34 . PHE . 7116 1 35 . VAL . 7116 1 36 . GLU . 7116 1 37 . ILE . 7116 1 38 . LYS . 7116 1 39 . ILE . 7116 1 40 . VAL . 7116 1 41 . LYS . 7116 1 42 . TYR . 7116 1 43 . GLU . 7116 1 44 . GLY . 7116 1 45 . GLU . 7116 1 46 . GLU . 7116 1 47 . PRO . 7116 1 48 . LYS . 7116 1 49 . GLU . 7116 1 50 . GLY . 7116 1 51 . THR . 7116 1 52 . PHE . 7116 1 53 . THR . 7116 1 54 . ALA . 7116 1 55 . ARG . 7116 1 56 . VAL . 7116 1 57 . GLY . 7116 1 58 . GLU . 7116 1 59 . GLN . 7116 1 60 . GLY . 7116 1 61 . SER . 7116 1 62 . VAL . 7116 1 63 . ILE . 7116 1 64 . ILE . 7116 1 65 . PRO . 7116 1 66 . LYS . 7116 1 67 . ALA . 7116 1 68 . LEU . 7116 1 69 . ARG . 7116 1 70 . ASP . 7116 1 71 . VAL . 7116 1 72 . ILE . 7116 1 73 . GLY . 7116 1 74 . ILE . 7116 1 75 . LYS . 7116 1 76 . PRO . 7116 1 77 . GLY . 7116 1 78 . GLU . 7116 1 79 . VAL . 7116 1 80 . ILE . 7116 1 81 . GLU . 7116 1 82 . VAL . 7116 1 83 . LEU . 7116 1 84 . LEU . 7116 1 85 . LEU . 7116 1 86 . GLY . 7116 1 87 . HIS . 7116 1 88 . TYR . 7116 1 89 . LYS . 7116 1 90 . PRO . 7116 1 91 . ARG . 7116 1 92 . ASN . 7116 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 7116 1 . ASP 2 2 7116 1 . VAL 3 3 7116 1 . LEU 4 4 7116 1 . ALA 5 5 7116 1 . LYS 6 6 7116 1 . PHE 7 7 7116 1 . HIS 8 8 7116 1 . THR 9 9 7116 1 . THR 10 10 7116 1 . VAL 11 11 7116 1 . HIS 12 12 7116 1 . ARG 13 13 7116 1 . ILE 14 14 7116 1 . GLY 15 15 7116 1 . ARG 16 16 7116 1 . ILE 17 17 7116 1 . ILE 18 18 7116 1 . ILE 19 19 7116 1 . PRO 20 20 7116 1 . ALA 21 21 7116 1 . GLY 22 22 7116 1 . THR 23 23 7116 1 . ARG 24 24 7116 1 . LYS 25 25 7116 1 . PHE 26 26 7116 1 . TYR 27 27 7116 1 . GLY 28 28 7116 1 . ILE 29 29 7116 1 . GLU 30 30 7116 1 . GLN 31 31 7116 1 . GLY 32 32 7116 1 . ASP 33 33 7116 1 . PHE 34 34 7116 1 . VAL 35 35 7116 1 . GLU 36 36 7116 1 . ILE 37 37 7116 1 . LYS 38 38 7116 1 . ILE 39 39 7116 1 . VAL 40 40 7116 1 . LYS 41 41 7116 1 . TYR 42 42 7116 1 . GLU 43 43 7116 1 . GLY 44 44 7116 1 . GLU 45 45 7116 1 . GLU 46 46 7116 1 . PRO 47 47 7116 1 . LYS 48 48 7116 1 . GLU 49 49 7116 1 . GLY 50 50 7116 1 . THR 51 51 7116 1 . PHE 52 52 7116 1 . THR 53 53 7116 1 . ALA 54 54 7116 1 . ARG 55 55 7116 1 . VAL 56 56 7116 1 . GLY 57 57 7116 1 . GLU 58 58 7116 1 . GLN 59 59 7116 1 . GLY 60 60 7116 1 . SER 61 61 7116 1 . VAL 62 62 7116 1 . ILE 63 63 7116 1 . ILE 64 64 7116 1 . PRO 65 65 7116 1 . LYS 66 66 7116 1 . ALA 67 67 7116 1 . LEU 68 68 7116 1 . ARG 69 69 7116 1 . ASP 70 70 7116 1 . VAL 71 71 7116 1 . ILE 72 72 7116 1 . GLY 73 73 7116 1 . ILE 74 74 7116 1 . LYS 75 75 7116 1 . PRO 76 76 7116 1 . GLY 77 77 7116 1 . GLU 78 78 7116 1 . VAL 79 79 7116 1 . ILE 80 80 7116 1 . GLU 81 81 7116 1 . VAL 82 82 7116 1 . LEU 83 83 7116 1 . LEU 84 84 7116 1 . LEU 85 85 7116 1 . GLY 86 86 7116 1 . HIS 87 87 7116 1 . TYR 88 88 7116 1 . LYS 89 89 7116 1 . PRO 90 90 7116 1 . ARG 91 91 7116 1 . ASN 92 92 7116 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 7116 _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 $PHS018 . 53953 . . 'Pyrococcus horikoshii' 'Pyrococcus horikoshii' . . Archaea . Pyrococcus horikoshii . . . . . . . . . . . . . . . . . . . . . 7116 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 7116 _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 $PHS018 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7116 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7116 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PhS018 . . . 1 $PHS018 . . 0.5 . . mM . . . . 7116 1 2 'PHOSPHATE BUFFER' . . . . . . . 50 . . mM . . . . 7116 1 3 NaCL . . . . . . . 50 . . mM . . . . 7116 1 4 H2O . . . . . . . 90 . . % . . . . 7116 1 5 D2O . . . . . . . 10 . . % . . . . 7116 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7116 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PhS018 [U-15N] . . 1 $PHS018 . . 0.5 . . mM . . . . 7116 2 2 'PHOSPHATE BUFFER' . . . . . . . 50 . . mM . . . . 7116 2 3 NaCL . . . . . . . 50 . . mM . . . . 7116 2 4 H2O . . . . . . . 90 . . % . . . . 7116 2 5 D2O . . . . . . . 10 . . % . . . . 7116 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 7116 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PhS018 '[U-13C; U-15N]' . . 1 $PHS018 . . 0.5 . . mM . . . . 7116 3 2 'PHOSPHATE BUFFER' . . . . . . . 50 . . mM . . . . 7116 3 3 NaCL . . . . . . . 50 . . mM . . . . 7116 3 4 H2O . . . . . . . 90 . . % . . . . 7116 3 5 D2O . . . . . . . 10 . . % . . . . 7116 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 7116 _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' 80 . mM 7116 1 pH 3.0 0.1 pH 7116 1 pressure 1 . atm 7116 1 temperature 305 0.1 K 7116 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 7116 _Software.ID 1 _Software.Name X-PLOR _Software.Version NIH-2.9.7 _Software.Details 'BRUNGER, A.T.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7116 1 'structure solution' 7116 1 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 7116 _Software.ID 2 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7116 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 7116 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.15 _Software.Details 'Johnson, B.A.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7116 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 7116 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 7116 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 7116 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 BRUKER DMX . 900 . . . 7116 1 2 NMR_spectrometer_2 BRUKER DMX . 600 . . . 7116 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 7116 _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 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7116 1 2 HNHB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7116 1 3 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7116 1 4 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7116 1 5 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7116 1 6 CCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7116 1 7 'HCCH TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7116 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 7116 _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 2.61 . indirect 0.251449530 . . . . . . . . . 7116 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 . . . . . . . . . 7116 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7116 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 7116 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 7116 1 . . 2 $sample_2 . 7116 1 . . 3 $sample_3 . 7116 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 4.17 0.02 . 1 . . . . 1 . . . 7116 1 2 . 1 1 1 1 MET HB2 H 1 2.22 0.02 . 1 . . . . 1 . . . 7116 1 3 . 1 1 1 1 MET HB3 H 1 2.22 0.02 . 1 . . . . 1 . . . 7116 1 4 . 1 1 1 1 MET HG2 H 1 2.60 0.02 . 1 . . . . 1 . . . 7116 1 5 . 1 1 1 1 MET HG3 H 1 2.60 0.02 . 1 . . . . 1 . . . 7116 1 6 . 1 1 1 1 MET HE1 H 1 2.13 0.02 . 1 . . . . 1 . . . 7116 1 7 . 1 1 1 1 MET HE2 H 1 2.13 0.02 . 1 . . . . 1 . . . 7116 1 8 . 1 1 1 1 MET HE3 H 1 2.13 0.02 . 1 . . . . 1 . . . 7116 1 9 . 1 1 1 1 MET CA C 13 55.33 0.05 . 1 . . . . 1 . . . 7116 1 10 . 1 1 1 1 MET CB C 13 33.19 0.05 . 1 . . . . 1 . . . 7116 1 11 . 1 1 1 1 MET CG C 13 30.86 0.05 . 1 . . . . 1 . . . 7116 1 12 . 1 1 1 1 MET CE C 13 17.02 0.05 . 1 . . . . 1 . . . 7116 1 13 . 1 1 2 2 ASP H H 1 8.98 0.02 . 1 . . . . 2 . . . 7116 1 14 . 1 1 2 2 ASP HA H 1 4.78 0.02 . 1 . . . . 2 . . . 7116 1 15 . 1 1 2 2 ASP HB2 H 1 2.94 0.02 . 2 . . . . 2 . . . 7116 1 16 . 1 1 2 2 ASP HB3 H 1 2.86 0.02 . 2 . . . . 2 . . . 7116 1 17 . 1 1 2 2 ASP C C 13 173.53 0.05 . 1 . . . . 2 . . . 7116 1 18 . 1 1 2 2 ASP CA C 13 53.09 0.05 . 1 . . . . 2 . . . 7116 1 19 . 1 1 2 2 ASP CB C 13 38.84 0.05 . 1 . . . . 2 . . . 7116 1 20 . 1 1 2 2 ASP N N 15 123.56 0.05 . 1 . . . . 2 . . . 7116 1 21 . 1 1 3 3 VAL H H 1 8.27 0.02 . 1 . . . . 3 . . . 7116 1 22 . 1 1 3 3 VAL HA H 1 4.10 0.02 . 1 . . . . 3 . . . 7116 1 23 . 1 1 3 3 VAL HB H 1 2.08 0.02 . 1 . . . . 3 . . . 7116 1 24 . 1 1 3 3 VAL HG11 H 1 0.91 0.02 . 1 . . . . 3 . . . 7116 1 25 . 1 1 3 3 VAL HG12 H 1 0.91 0.02 . 1 . . . . 3 . . . 7116 1 26 . 1 1 3 3 VAL HG13 H 1 0.91 0.02 . 1 . . . . 3 . . . 7116 1 27 . 1 1 3 3 VAL HG21 H 1 0.87 0.02 . 1 . . . . 3 . . . 7116 1 28 . 1 1 3 3 VAL HG22 H 1 0.87 0.02 . 1 . . . . 3 . . . 7116 1 29 . 1 1 3 3 VAL HG23 H 1 0.87 0.02 . 1 . . . . 3 . . . 7116 1 30 . 1 1 3 3 VAL C C 13 175.51 0.05 . 1 . . . . 3 . . . 7116 1 31 . 1 1 3 3 VAL CA C 13 62.66 0.05 . 1 . . . . 3 . . . 7116 1 32 . 1 1 3 3 VAL CB C 13 32.87 0.05 . 1 . . . . 3 . . . 7116 1 33 . 1 1 3 3 VAL CG1 C 13 21.52 0.05 . 1 . . . . 3 . . . 7116 1 34 . 1 1 3 3 VAL CG2 C 13 22.50 0.05 . 1 . . . . 3 . . . 7116 1 35 . 1 1 3 3 VAL N N 15 120.85 0.05 . 1 . . . . 3 . . . 7116 1 36 . 1 1 4 4 LEU H H 1 8.69 0.02 . 1 . . . . 4 . . . 7116 1 37 . 1 1 4 4 LEU HA H 1 4.30 0.02 . 1 . . . . 4 . . . 7116 1 38 . 1 1 4 4 LEU HB2 H 1 1.26 0.02 . 1 . . . . 4 . . . 7116 1 39 . 1 1 4 4 LEU HB3 H 1 1.07 0.02 . 1 . . . . 4 . . . 7116 1 40 . 1 1 4 4 LEU HG H 1 1.50 0.02 . 1 . . . . 4 . . . 7116 1 41 . 1 1 4 4 LEU HD11 H 1 0.53 0.02 . 1 . . . . 4 . . . 7116 1 42 . 1 1 4 4 LEU HD12 H 1 0.53 0.02 . 1 . . . . 4 . . . 7116 1 43 . 1 1 4 4 LEU HD13 H 1 0.53 0.02 . 1 . . . . 4 . . . 7116 1 44 . 1 1 4 4 LEU HD21 H 1 0.66 0.02 . 1 . . . . 4 . . . 7116 1 45 . 1 1 4 4 LEU HD22 H 1 0.66 0.02 . 1 . . . . 4 . . . 7116 1 46 . 1 1 4 4 LEU HD23 H 1 0.66 0.02 . 1 . . . . 4 . . . 7116 1 47 . 1 1 4 4 LEU C C 13 177.55 0.05 . 1 . . . . 4 . . . 7116 1 48 . 1 1 4 4 LEU CA C 13 56.95 0.05 . 1 . . . . 4 . . . 7116 1 49 . 1 1 4 4 LEU CB C 13 41.23 0.05 . 1 . . . . 4 . . . 7116 1 50 . 1 1 4 4 LEU CG C 13 27.63 0.05 . 1 . . . . 4 . . . 7116 1 51 . 1 1 4 4 LEU CD1 C 13 24.31 0.05 . 1 . . . . 4 . . . 7116 1 52 . 1 1 4 4 LEU CD2 C 13 22.43 0.05 . 1 . . . . 4 . . . 7116 1 53 . 1 1 4 4 LEU N N 15 126.40 0.05 . 1 . . . . 4 . . . 7116 1 54 . 1 1 5 5 ALA H H 1 7.56 0.02 . 1 . . . . 5 . . . 7116 1 55 . 1 1 5 5 ALA HA H 1 4.70 0.02 . 1 . . . . 5 . . . 7116 1 56 . 1 1 5 5 ALA HB1 H 1 1.61 0.02 . 1 . . . . 5 . . . 7116 1 57 . 1 1 5 5 ALA HB2 H 1 1.61 0.02 . 1 . . . . 5 . . . 7116 1 58 . 1 1 5 5 ALA HB3 H 1 1.61 0.02 . 1 . . . . 5 . . . 7116 1 59 . 1 1 5 5 ALA C C 13 173.81 0.05 . 1 . . . . 5 . . . 7116 1 60 . 1 1 5 5 ALA CA C 13 52.11 0.05 . 1 . . . . 5 . . . 7116 1 61 . 1 1 5 5 ALA CB C 13 22.87 0.05 . 1 . . . . 5 . . . 7116 1 62 . 1 1 5 5 ALA N N 15 117.27 0.05 . 1 . . . . 5 . . . 7116 1 63 . 1 1 6 6 LYS H H 1 8.65 0.02 . 1 . . . . 6 . . . 7116 1 64 . 1 1 6 6 LYS HA H 1 5.49 0.02 . 1 . . . . 6 . . . 7116 1 65 . 1 1 6 6 LYS HB2 H 1 1.80 0.02 . 2 . . . . 6 . . . 7116 1 66 . 1 1 6 6 LYS HB3 H 1 1.67 0.02 . 2 . . . . 6 . . . 7116 1 67 . 1 1 6 6 LYS HG2 H 1 1.33 0.02 . 2 . . . . 6 . . . 7116 1 68 . 1 1 6 6 LYS HG3 H 1 1.29 0.02 . 2 . . . . 6 . . . 7116 1 69 . 1 1 6 6 LYS HD2 H 1 1.66 0.02 . 1 . . . . 6 . . . 7116 1 70 . 1 1 6 6 LYS HD3 H 1 1.66 0.02 . 1 . . . . 6 . . . 7116 1 71 . 1 1 6 6 LYS HE2 H 1 2.98 0.02 . 1 . . . . 6 . . . 7116 1 72 . 1 1 6 6 LYS HE3 H 1 2.98 0.02 . 1 . . . . 6 . . . 7116 1 73 . 1 1 6 6 LYS C C 13 174.48 0.05 . 1 . . . . 6 . . . 7116 1 74 . 1 1 6 6 LYS CA C 13 55.08 0.05 . 1 . . . . 6 . . . 7116 1 75 . 1 1 6 6 LYS CB C 13 35.57 0.05 . 1 . . . . 6 . . . 7116 1 76 . 1 1 6 6 LYS CG C 13 24.19 0.05 . 1 . . . . 6 . . . 7116 1 77 . 1 1 6 6 LYS CD C 13 29.70 0.05 . 1 . . . . 6 . . . 7116 1 78 . 1 1 6 6 LYS CE C 13 41.95 0.05 . 1 . . . . 6 . . . 7116 1 79 . 1 1 6 6 LYS N N 15 120.99 0.05 . 1 . . . . 6 . . . 7116 1 80 . 1 1 7 7 PHE H H 1 8.81 0.02 . 1 . . . . 7 . . . 7116 1 81 . 1 1 7 7 PHE HA H 1 5.16 0.02 . 1 . . . . 7 . . . 7116 1 82 . 1 1 7 7 PHE HB2 H 1 3.28 0.02 . 1 . . . . 7 . . . 7116 1 83 . 1 1 7 7 PHE HB3 H 1 3.51 0.02 . 1 . . . . 7 . . . 7116 1 84 . 1 1 7 7 PHE HD1 H 1 6.97 0.02 . 1 . . . . 7 . . . 7116 1 85 . 1 1 7 7 PHE HD2 H 1 6.97 0.02 . 1 . . . . 7 . . . 7116 1 86 . 1 1 7 7 PHE HE1 H 1 7.04 0.02 . 1 . . . . 7 . . . 7116 1 87 . 1 1 7 7 PHE HE2 H 1 7.04 0.02 . 1 . . . . 7 . . . 7116 1 88 . 1 1 7 7 PHE HZ H 1 6.84 0.02 . 1 . . . . 7 . . . 7116 1 89 . 1 1 7 7 PHE C C 13 172.78 0.05 . 1 . . . . 7 . . . 7116 1 90 . 1 1 7 7 PHE CA C 13 56.05 0.05 . 1 . . . . 7 . . . 7116 1 91 . 1 1 7 7 PHE CB C 13 39.66 0.05 . 1 . . . . 7 . . . 7116 1 92 . 1 1 7 7 PHE N N 15 120.12 0.05 . 1 . . . . 7 . . . 7116 1 93 . 1 1 8 8 HIS H H 1 9.05 0.02 . 1 . . . . 8 . . . 7116 1 94 . 1 1 8 8 HIS HA H 1 5.80 0.02 . 1 . . . . 8 . . . 7116 1 95 . 1 1 8 8 HIS HB2 H 1 3.22 0.02 . 2 . . . . 8 . . . 7116 1 96 . 1 1 8 8 HIS HB3 H 1 3.19 0.02 . 2 . . . . 8 . . . 7116 1 97 . 1 1 8 8 HIS HD1 H 1 9.19 0.02 . 1 . . . . 8 . . . 7116 1 98 . 1 1 8 8 HIS HD2 H 1 7.25 0.02 . 1 . . . . 8 . . . 7116 1 99 . 1 1 8 8 HIS HE1 H 1 8.71 0.02 . 1 . . . . 8 . . . 7116 1 100 . 1 1 8 8 HIS C C 13 174.22 0.05 . 1 . . . . 8 . . . 7116 1 101 . 1 1 8 8 HIS CA C 13 54.61 0.05 . 1 . . . . 8 . . . 7116 1 102 . 1 1 8 8 HIS CB C 13 30.52 0.05 . 1 . . . . 8 . . . 7116 1 103 . 1 1 8 8 HIS CD2 C 13 119.70 0.05 . 1 . . . . 8 . . . 7116 1 104 . 1 1 8 8 HIS CE1 C 13 136.85 0.05 . 1 . . . . 8 . . . 7116 1 105 . 1 1 8 8 HIS N N 15 117.17 0.05 . 1 . . . . 8 . . . 7116 1 106 . 1 1 9 9 THR H H 1 8.97 0.02 . 1 . . . . 9 . . . 7116 1 107 . 1 1 9 9 THR HA H 1 5.05 0.02 . 1 . . . . 9 . . . 7116 1 108 . 1 1 9 9 THR HB H 1 4.45 0.02 . 1 . . . . 9 . . . 7116 1 109 . 1 1 9 9 THR HG21 H 1 1.23 0.02 . 1 . . . . 9 . . . 7116 1 110 . 1 1 9 9 THR HG22 H 1 1.23 0.02 . 1 . . . . 9 . . . 7116 1 111 . 1 1 9 9 THR HG23 H 1 1.23 0.02 . 1 . . . . 9 . . . 7116 1 112 . 1 1 9 9 THR C C 13 170.89 0.05 . 1 . . . . 9 . . . 7116 1 113 . 1 1 9 9 THR CA C 13 61.15 0.05 . 1 . . . . 9 . . . 7116 1 114 . 1 1 9 9 THR CB C 13 70.05 0.05 . 1 . . . . 9 . . . 7116 1 115 . 1 1 9 9 THR CG2 C 13 19.46 0.05 . 1 . . . . 9 . . . 7116 1 116 . 1 1 9 9 THR N N 15 115.80 0.05 . 1 . . . . 9 . . . 7116 1 117 . 1 1 10 10 THR H H 1 8.05 0.02 . 1 . . . . 10 . . . 7116 1 118 . 1 1 10 10 THR HA H 1 4.97 0.02 . 1 . . . . 10 . . . 7116 1 119 . 1 1 10 10 THR HB H 1 3.87 0.02 . 1 . . . . 10 . . . 7116 1 120 . 1 1 10 10 THR HG21 H 1 0.98 0.02 . 1 . . . . 10 . . . 7116 1 121 . 1 1 10 10 THR HG22 H 1 0.98 0.02 . 1 . . . . 10 . . . 7116 1 122 . 1 1 10 10 THR HG23 H 1 0.98 0.02 . 1 . . . . 10 . . . 7116 1 123 . 1 1 10 10 THR C C 13 173.65 0.05 . 1 . . . . 10 . . . 7116 1 124 . 1 1 10 10 THR CA C 13 61.80 0.05 . 1 . . . . 10 . . . 7116 1 125 . 1 1 10 10 THR CB C 13 70.32 0.05 . 1 . . . . 10 . . . 7116 1 126 . 1 1 10 10 THR CG2 C 13 21.64 0.05 . 1 . . . . 10 . . . 7116 1 127 . 1 1 10 10 THR N N 15 119.00 0.05 . 1 . . . . 10 . . . 7116 1 128 . 1 1 11 11 VAL H H 1 8.69 0.02 . 1 . . . . 11 . . . 7116 1 129 . 1 1 11 11 VAL HA H 1 3.97 0.02 . 1 . . . . 11 . . . 7116 1 130 . 1 1 11 11 VAL HB H 1 2.05 0.02 . 1 . . . . 11 . . . 7116 1 131 . 1 1 11 11 VAL HG11 H 1 0.92 0.02 . 1 . . . . 11 . . . 7116 1 132 . 1 1 11 11 VAL HG12 H 1 0.92 0.02 . 1 . . . . 11 . . . 7116 1 133 . 1 1 11 11 VAL HG13 H 1 0.92 0.02 . 1 . . . . 11 . . . 7116 1 134 . 1 1 11 11 VAL HG21 H 1 0.90 0.02 . 1 . . . . 11 . . . 7116 1 135 . 1 1 11 11 VAL HG22 H 1 0.90 0.02 . 1 . . . . 11 . . . 7116 1 136 . 1 1 11 11 VAL HG23 H 1 0.90 0.02 . 1 . . . . 11 . . . 7116 1 137 . 1 1 11 11 VAL C C 13 175.71 0.05 . 1 . . . . 11 . . . 7116 1 138 . 1 1 11 11 VAL CA C 13 63.23 0.05 . 1 . . . . 11 . . . 7116 1 139 . 1 1 11 11 VAL CB C 13 31.92 0.05 . 1 . . . . 11 . . . 7116 1 140 . 1 1 11 11 VAL CG1 C 13 22.39 0.05 . 1 . . . . 11 . . . 7116 1 141 . 1 1 11 11 VAL CG2 C 13 21.31 0.05 . 1 . . . . 11 . . . 7116 1 142 . 1 1 11 11 VAL N N 15 125.84 0.05 . 1 . . . . 11 . . . 7116 1 143 . 1 1 12 12 HIS H H 1 9.12 0.02 . 1 . . . . 12 . . . 7116 1 144 . 1 1 12 12 HIS HA H 1 5.09 0.02 . 1 . . . . 12 . . . 7116 1 145 . 1 1 12 12 HIS HB2 H 1 3.33 0.02 . 1 . . . . 12 . . . 7116 1 146 . 1 1 12 12 HIS HB3 H 1 3.78 0.02 . 1 . . . . 12 . . . 7116 1 147 . 1 1 12 12 HIS HD1 H 1 9.17 0.02 . 1 . . . . 12 . . . 7116 1 148 . 1 1 12 12 HIS HD2 H 1 7.34 0.02 . 1 . . . . 12 . . . 7116 1 149 . 1 1 12 12 HIS HE1 H 1 8.74 0.02 . 1 . . . . 12 . . . 7116 1 150 . 1 1 12 12 HIS C C 13 173.43 0.05 . 1 . . . . 12 . . . 7116 1 151 . 1 1 12 12 HIS CA C 13 54.62 0.05 . 1 . . . . 12 . . . 7116 1 152 . 1 1 12 12 HIS CB C 13 29.91 0.05 . 1 . . . . 12 . . . 7116 1 153 . 1 1 12 12 HIS CD2 C 13 120.43 0.05 . 1 . . . . 12 . . . 7116 1 154 . 1 1 12 12 HIS CE1 C 13 136.58 0.05 . 1 . . . . 12 . . . 7116 1 155 . 1 1 12 12 HIS N N 15 127.03 0.05 . 1 . . . . 12 . . . 7116 1 156 . 1 1 13 13 ARG H H 1 8.60 0.02 . 1 . . . . 13 . . . 7116 1 157 . 1 1 13 13 ARG HA H 1 4.14 0.02 . 1 . . . . 13 . . . 7116 1 158 . 1 1 13 13 ARG HB2 H 1 2.02 0.02 . 1 . . . . 13 . . . 7116 1 159 . 1 1 13 13 ARG HB3 H 1 2.02 0.02 . 1 . . . . 13 . . . 7116 1 160 . 1 1 13 13 ARG HG2 H 1 1.91 0.02 . 1 . . . . 13 . . . 7116 1 161 . 1 1 13 13 ARG HG3 H 1 1.91 0.02 . 1 . . . . 13 . . . 7116 1 162 . 1 1 13 13 ARG HD2 H 1 3.35 0.02 . 1 . . . . 13 . . . 7116 1 163 . 1 1 13 13 ARG HD3 H 1 3.35 0.02 . 1 . . . . 13 . . . 7116 1 164 . 1 1 13 13 ARG C C 13 176.20 0.05 . 1 . . . . 13 . . . 7116 1 165 . 1 1 13 13 ARG CA C 13 59.00 0.05 . 1 . . . . 13 . . . 7116 1 166 . 1 1 13 13 ARG CB C 13 30.56 0.05 . 1 . . . . 13 . . . 7116 1 167 . 1 1 13 13 ARG CG C 13 27.84 0.05 . 1 . . . . 13 . . . 7116 1 168 . 1 1 13 13 ARG CD C 13 43.50 0.05 . 1 . . . . 13 . . . 7116 1 169 . 1 1 13 13 ARG N N 15 119.12 0.05 . 1 . . . . 13 . . . 7116 1 170 . 1 1 14 14 ILE H H 1 8.72 0.02 . 1 . . . . 14 . . . 7116 1 171 . 1 1 14 14 ILE HA H 1 3.92 0.02 . 1 . . . . 14 . . . 7116 1 172 . 1 1 14 14 ILE HB H 1 2.27 0.02 . 1 . . . . 14 . . . 7116 1 173 . 1 1 14 14 ILE HG12 H 1 1.58 0.02 . 2 . . . . 14 . . . 7116 1 174 . 1 1 14 14 ILE HG13 H 1 1.16 0.02 . 2 . . . . 14 . . . 7116 1 175 . 1 1 14 14 ILE HG21 H 1 1.05 0.02 . 1 . . . . 14 . . . 7116 1 176 . 1 1 14 14 ILE HG22 H 1 1.05 0.02 . 1 . . . . 14 . . . 7116 1 177 . 1 1 14 14 ILE HG23 H 1 1.05 0.02 . 1 . . . . 14 . . . 7116 1 178 . 1 1 14 14 ILE HD11 H 1 0.92 0.02 . 1 . . . . 14 . . . 7116 1 179 . 1 1 14 14 ILE HD12 H 1 0.92 0.02 . 1 . . . . 14 . . . 7116 1 180 . 1 1 14 14 ILE HD13 H 1 0.92 0.02 . 1 . . . . 14 . . . 7116 1 181 . 1 1 14 14 ILE C C 13 174.62 0.05 . 1 . . . . 14 . . . 7116 1 182 . 1 1 14 14 ILE CA C 13 62.37 0.05 . 1 . . . . 14 . . . 7116 1 183 . 1 1 14 14 ILE CB C 13 38.49 0.05 . 1 . . . . 14 . . . 7116 1 184 . 1 1 14 14 ILE CG1 C 13 28.63 0.05 . 1 . . . . 14 . . . 7116 1 185 . 1 1 14 14 ILE CG2 C 13 19.07 0.05 . 1 . . . . 14 . . . 7116 1 186 . 1 1 14 14 ILE CD1 C 13 14.05 0.05 . 1 . . . . 14 . . . 7116 1 187 . 1 1 14 14 ILE N N 15 116.93 0.05 . 1 . . . . 14 . . . 7116 1 188 . 1 1 15 15 GLY H H 1 8.18 0.02 . 1 . . . . 15 . . . 7116 1 189 . 1 1 15 15 GLY HA2 H 1 4.03 0.02 . 2 . . . . 15 . . . 7116 1 190 . 1 1 15 15 GLY HA3 H 1 3.32 0.02 . 2 . . . . 15 . . . 7116 1 191 . 1 1 15 15 GLY C C 13 172.69 0.05 . 1 . . . . 15 . . . 7116 1 192 . 1 1 15 15 GLY CA C 13 46.28 0.05 . 1 . . . . 15 . . . 7116 1 193 . 1 1 15 15 GLY N N 15 104.58 0.05 . 1 . . . . 15 . . . 7116 1 194 . 1 1 16 16 ARG H H 1 7.22 0.02 . 1 . . . . 16 . . . 7116 1 195 . 1 1 16 16 ARG HA H 1 4.96 0.02 . 1 . . . . 16 . . . 7116 1 196 . 1 1 16 16 ARG HB2 H 1 1.78 0.02 . 1 . . . . 16 . . . 7116 1 197 . 1 1 16 16 ARG HB3 H 1 1.69 0.02 . 1 . . . . 16 . . . 7116 1 198 . 1 1 16 16 ARG HG2 H 1 1.59 0.02 . 2 . . . . 16 . . . 7116 1 199 . 1 1 16 16 ARG HG3 H 1 1.39 0.02 . 2 . . . . 16 . . . 7116 1 200 . 1 1 16 16 ARG HD2 H 1 3.20 0.02 . 1 . . . . 16 . . . 7116 1 201 . 1 1 16 16 ARG HD3 H 1 3.20 0.02 . 1 . . . . 16 . . . 7116 1 202 . 1 1 16 16 ARG C C 13 175.64 0.05 . 1 . . . . 16 . . . 7116 1 203 . 1 1 16 16 ARG CA C 13 56.58 0.05 . 1 . . . . 16 . . . 7116 1 204 . 1 1 16 16 ARG CB C 13 32.84 0.05 . 1 . . . . 16 . . . 7116 1 205 . 1 1 16 16 ARG CG C 13 28.39 0.05 . 1 . . . . 16 . . . 7116 1 206 . 1 1 16 16 ARG CD C 13 43.99 0.05 . 1 . . . . 16 . . . 7116 1 207 . 1 1 16 16 ARG N N 15 119.88 0.05 . 1 . . . . 16 . . . 7116 1 208 . 1 1 17 17 ILE H H 1 9.32 0.02 . 1 . . . . 17 . . . 7116 1 209 . 1 1 17 17 ILE HA H 1 4.96 0.02 . 1 . . . . 17 . . . 7116 1 210 . 1 1 17 17 ILE HB H 1 1.92 0.02 . 1 . . . . 17 . . . 7116 1 211 . 1 1 17 17 ILE HG12 H 1 1.67 0.02 . 2 . . . . 17 . . . 7116 1 212 . 1 1 17 17 ILE HG13 H 1 1.17 0.02 . 2 . . . . 17 . . . 7116 1 213 . 1 1 17 17 ILE HG21 H 1 1.01 0.02 . 1 . . . . 17 . . . 7116 1 214 . 1 1 17 17 ILE HG22 H 1 1.01 0.02 . 1 . . . . 17 . . . 7116 1 215 . 1 1 17 17 ILE HG23 H 1 1.01 0.02 . 1 . . . . 17 . . . 7116 1 216 . 1 1 17 17 ILE HD11 H 1 0.86 0.02 . 1 . . . . 17 . . . 7116 1 217 . 1 1 17 17 ILE HD12 H 1 0.86 0.02 . 1 . . . . 17 . . . 7116 1 218 . 1 1 17 17 ILE HD13 H 1 0.86 0.02 . 1 . . . . 17 . . . 7116 1 219 . 1 1 17 17 ILE C C 13 173.54 0.05 . 1 . . . . 17 . . . 7116 1 220 . 1 1 17 17 ILE CA C 13 59.40 0.05 . 1 . . . . 17 . . . 7116 1 221 . 1 1 17 17 ILE CB C 13 42.60 0.05 . 1 . . . . 17 . . . 7116 1 222 . 1 1 17 17 ILE CG1 C 13 26.36 0.05 . 1 . . . . 17 . . . 7116 1 223 . 1 1 17 17 ILE CG2 C 13 19.89 0.05 . 1 . . . . 17 . . . 7116 1 224 . 1 1 17 17 ILE CD1 C 13 14.80 0.05 . 1 . . . . 17 . . . 7116 1 225 . 1 1 17 17 ILE N N 15 119.67 0.05 . 1 . . . . 17 . . . 7116 1 226 . 1 1 18 18 ILE H H 1 8.52 0.02 . 1 . . . . 18 . . . 7116 1 227 . 1 1 18 18 ILE HA H 1 4.45 0.02 . 1 . . . . 18 . . . 7116 1 228 . 1 1 18 18 ILE HB H 1 1.84 0.02 . 1 . . . . 18 . . . 7116 1 229 . 1 1 18 18 ILE HG12 H 1 1.40 0.02 . 2 . . . . 18 . . . 7116 1 230 . 1 1 18 18 ILE HG13 H 1 1.16 0.02 . 2 . . . . 18 . . . 7116 1 231 . 1 1 18 18 ILE HG21 H 1 0.83 0.02 . 1 . . . . 18 . . . 7116 1 232 . 1 1 18 18 ILE HG22 H 1 0.83 0.02 . 1 . . . . 18 . . . 7116 1 233 . 1 1 18 18 ILE HG23 H 1 0.83 0.02 . 1 . . . . 18 . . . 7116 1 234 . 1 1 18 18 ILE HD11 H 1 0.75 0.02 . 1 . . . . 18 . . . 7116 1 235 . 1 1 18 18 ILE HD12 H 1 0.75 0.02 . 1 . . . . 18 . . . 7116 1 236 . 1 1 18 18 ILE HD13 H 1 0.75 0.02 . 1 . . . . 18 . . . 7116 1 237 . 1 1 18 18 ILE C C 13 176.49 0.05 . 1 . . . . 18 . . . 7116 1 238 . 1 1 18 18 ILE CA C 13 59.37 0.05 . 1 . . . . 18 . . . 7116 1 239 . 1 1 18 18 ILE CB C 13 39.67 0.05 . 1 . . . . 18 . . . 7116 1 240 . 1 1 18 18 ILE CG1 C 13 27.78 0.05 . 1 . . . . 18 . . . 7116 1 241 . 1 1 18 18 ILE CG2 C 13 17.47 0.05 . 1 . . . . 18 . . . 7116 1 242 . 1 1 18 18 ILE CD1 C 13 12.13 0.05 . 1 . . . . 18 . . . 7116 1 243 . 1 1 18 18 ILE N N 15 121.83 0.05 . 1 . . . . 18 . . . 7116 1 244 . 1 1 19 19 ILE H H 1 8.52 0.02 . 1 . . . . 19 . . . 7116 1 245 . 1 1 19 19 ILE HA H 1 4.08 0.02 . 1 . . . . 19 . . . 7116 1 246 . 1 1 19 19 ILE HB H 1 1.67 0.02 . 1 . . . . 19 . . . 7116 1 247 . 1 1 19 19 ILE HG12 H 1 1.95 0.02 . 2 . . . . 19 . . . 7116 1 248 . 1 1 19 19 ILE HG13 H 1 1.08 0.02 . 2 . . . . 19 . . . 7116 1 249 . 1 1 19 19 ILE HG21 H 1 0.84 0.02 . 1 . . . . 19 . . . 7116 1 250 . 1 1 19 19 ILE HG22 H 1 0.84 0.02 . 1 . . . . 19 . . . 7116 1 251 . 1 1 19 19 ILE HG23 H 1 0.84 0.02 . 1 . . . . 19 . . . 7116 1 252 . 1 1 19 19 ILE HD11 H 1 0.86 0.02 . 1 . . . . 19 . . . 7116 1 253 . 1 1 19 19 ILE HD12 H 1 0.86 0.02 . 1 . . . . 19 . . . 7116 1 254 . 1 1 19 19 ILE HD13 H 1 0.86 0.02 . 1 . . . . 19 . . . 7116 1 255 . 1 1 19 19 ILE CA C 13 59.05 0.05 . 1 . . . . 19 . . . 7116 1 256 . 1 1 19 19 ILE CB C 13 38.84 0.05 . 1 . . . . 19 . . . 7116 1 257 . 1 1 19 19 ILE CG1 C 13 27.94 0.05 . 1 . . . . 19 . . . 7116 1 258 . 1 1 19 19 ILE CG2 C 13 17.28 0.05 . 1 . . . . 19 . . . 7116 1 259 . 1 1 19 19 ILE CD1 C 13 13.72 0.05 . 1 . . . . 19 . . . 7116 1 260 . 1 1 19 19 ILE N N 15 127.99 0.05 . 1 . . . . 19 . . . 7116 1 261 . 1 1 20 20 PRO HA H 1 4.28 0.02 . 1 . . . . 20 . . . 7116 1 262 . 1 1 20 20 PRO HB2 H 1 1.86 0.02 . 1 . . . . 20 . . . 7116 1 263 . 1 1 20 20 PRO HB3 H 1 2.41 0.02 . 1 . . . . 20 . . . 7116 1 264 . 1 1 20 20 PRO HG2 H 1 1.69 0.02 . 2 . . . . 20 . . . 7116 1 265 . 1 1 20 20 PRO HG3 H 1 1.52 0.02 . 2 . . . . 20 . . . 7116 1 266 . 1 1 20 20 PRO HD2 H 1 3.16 0.02 . 1 . . . . 20 . . . 7116 1 267 . 1 1 20 20 PRO HD3 H 1 2.28 0.02 . 1 . . . . 20 . . . 7116 1 268 . 1 1 20 20 PRO C C 13 177.119 0.05 . 1 . . . . 20 . . . 7116 1 269 . 1 1 20 20 PRO CA C 13 63.55 0.05 . 1 . . . . 20 . . . 7116 1 270 . 1 1 20 20 PRO CB C 13 32.81 0.05 . 1 . . . . 20 . . . 7116 1 271 . 1 1 20 20 PRO CG C 13 27.65 0.05 . 1 . . . . 20 . . . 7116 1 272 . 1 1 20 20 PRO CD C 13 50.66 0.05 . 1 . . . . 20 . . . 7116 1 273 . 1 1 21 21 ALA H H 1 8.89 0.02 . 1 . . . . 21 . . . 7116 1 274 . 1 1 21 21 ALA HA H 1 3.86 0.02 . 1 . . . . 21 . . . 7116 1 275 . 1 1 21 21 ALA HB1 H 1 1.51 0.02 . 1 . . . . 21 . . . 7116 1 276 . 1 1 21 21 ALA HB2 H 1 1.51 0.02 . 1 . . . . 21 . . . 7116 1 277 . 1 1 21 21 ALA HB3 H 1 1.51 0.02 . 1 . . . . 21 . . . 7116 1 278 . 1 1 21 21 ALA C C 13 179.93 0.05 . 1 . . . . 21 . . . 7116 1 279 . 1 1 21 21 ALA CA C 13 56.24 0.05 . 1 . . . . 21 . . . 7116 1 280 . 1 1 21 21 ALA CB C 13 18.62 0.05 . 1 . . . . 21 . . . 7116 1 281 . 1 1 21 21 ALA N N 15 126.71 0.05 . 1 . . . . 21 . . . 7116 1 282 . 1 1 22 22 GLY H H 1 9.22 0.02 . 1 . . . . 22 . . . 7116 1 283 . 1 1 22 22 GLY HA2 H 1 4.02 0.02 . 2 . . . . 22 . . . 7116 1 284 . 1 1 22 22 GLY HA3 H 1 3.88 0.02 . 2 . . . . 22 . . . 7116 1 285 . 1 1 22 22 GLY C C 13 176.43 0.05 . 1 . . . . 22 . . . 7116 1 286 . 1 1 22 22 GLY CA C 13 47.40 0.05 . 1 . . . . 22 . . . 7116 1 287 . 1 1 22 22 GLY N N 15 106.19 0.05 . 1 . . . . 22 . . . 7116 1 288 . 1 1 23 23 THR H H 1 7.08 0.02 . 1 . . . . 23 . . . 7116 1 289 . 1 1 23 23 THR HA H 1 4.16 0.02 . 1 . . . . 23 . . . 7116 1 290 . 1 1 23 23 THR HB H 1 3.94 0.02 . 1 . . . . 23 . . . 7116 1 291 . 1 1 23 23 THR HG21 H 1 1.16 0.02 . 1 . . . . 23 . . . 7116 1 292 . 1 1 23 23 THR HG22 H 1 1.16 0.02 . 1 . . . . 23 . . . 7116 1 293 . 1 1 23 23 THR HG23 H 1 1.16 0.02 . 1 . . . . 23 . . . 7116 1 294 . 1 1 23 23 THR C C 13 175.68 0.05 . 1 . . . . 23 . . . 7116 1 295 . 1 1 23 23 THR CA C 13 66.56 0.05 . 1 . . . . 23 . . . 7116 1 296 . 1 1 23 23 THR CB C 13 68.86 0.05 . 1 . . . . 23 . . . 7116 1 297 . 1 1 23 23 THR CG2 C 13 22.73 0.05 . 1 . . . . 23 . . . 7116 1 298 . 1 1 23 23 THR N N 15 120.42 0.05 . 1 . . . . 23 . . . 7116 1 299 . 1 1 24 24 ARG H H 1 8.02 0.02 . 1 . . . . 24 . . . 7116 1 300 . 1 1 24 24 ARG HA H 1 3.82 0.02 . 1 . . . . 24 . . . 7116 1 301 . 1 1 24 24 ARG HB2 H 1 2.03 0.02 . 1 . . . . 24 . . . 7116 1 302 . 1 1 24 24 ARG HB3 H 1 2.03 0.02 . 1 . . . . 24 . . . 7116 1 303 . 1 1 24 24 ARG HG2 H 1 1.53 0.02 . 2 . . . . 24 . . . 7116 1 304 . 1 1 24 24 ARG HG3 H 1 1.20 0.02 . 2 . . . . 24 . . . 7116 1 305 . 1 1 24 24 ARG HD2 H 1 3.21 0.02 . 1 . . . . 24 . . . 7116 1 306 . 1 1 24 24 ARG HD3 H 1 3.21 0.02 . 1 . . . . 24 . . . 7116 1 307 . 1 1 24 24 ARG HE H 1 7.35 0.02 . 1 . . . . 24 . . . 7116 1 308 . 1 1 24 24 ARG C C 13 178.07 0.05 . 1 . . . . 24 . . . 7116 1 309 . 1 1 24 24 ARG CA C 13 60.77 0.05 . 1 . . . . 24 . . . 7116 1 310 . 1 1 24 24 ARG CB C 13 29.64 0.05 . 1 . . . . 24 . . . 7116 1 311 . 1 1 24 24 ARG CG C 13 28.57 0.05 . 1 . . . . 24 . . . 7116 1 312 . 1 1 24 24 ARG CD C 13 43.88 0.05 . 1 . . . . 24 . . . 7116 1 313 . 1 1 24 24 ARG N N 15 118.81 0.05 . 1 . . . . 24 . . . 7116 1 314 . 1 1 24 24 ARG NE N 15 87.16 0.05 . 1 . . . . 24 . . . 7116 1 315 . 1 1 25 25 LYS H H 1 8.33 0.02 . 1 . . . . 25 . . . 7116 1 316 . 1 1 25 25 LYS HA H 1 4.13 0.02 . 1 . . . . 25 . . . 7116 1 317 . 1 1 25 25 LYS HB2 H 1 1.97 0.02 . 1 . . . . 25 . . . 7116 1 318 . 1 1 25 25 LYS HB3 H 1 1.97 0.02 . 1 . . . . 25 . . . 7116 1 319 . 1 1 25 25 LYS HG2 H 1 1.54 0.02 . 2 . . . . 25 . . . 7116 1 320 . 1 1 25 25 LYS HG3 H 1 1.48 0.02 . 2 . . . . 25 . . . 7116 1 321 . 1 1 25 25 LYS HD2 H 1 1.78 0.02 . 1 . . . . 25 . . . 7116 1 322 . 1 1 25 25 LYS HD3 H 1 1.78 0.02 . 1 . . . . 25 . . . 7116 1 323 . 1 1 25 25 LYS HE2 H 1 3.02 0.02 . 1 . . . . 25 . . . 7116 1 324 . 1 1 25 25 LYS HE3 H 1 3.02 0.02 . 1 . . . . 25 . . . 7116 1 325 . 1 1 25 25 LYS C C 13 179.06 0.05 . 1 . . . . 25 . . . 7116 1 326 . 1 1 25 25 LYS CA C 13 59.10 0.05 . 1 . . . . 25 . . . 7116 1 327 . 1 1 25 25 LYS CB C 13 32.55 0.05 . 1 . . . . 25 . . . 7116 1 328 . 1 1 25 25 LYS CG C 13 25.02 0.05 . 1 . . . . 25 . . . 7116 1 329 . 1 1 25 25 LYS CD C 13 29.35 0.05 . 1 . . . . 25 . . . 7116 1 330 . 1 1 25 25 LYS CE C 13 42.38 0.05 . 1 . . . . 25 . . . 7116 1 331 . 1 1 25 25 LYS N N 15 117.91 0.05 . 1 . . . . 25 . . . 7116 1 332 . 1 1 26 26 PHE H H 1 8.07 0.02 . 1 . . . . 26 . . . 7116 1 333 . 1 1 26 26 PHE HA H 1 4.02 0.02 . 1 . . . . 26 . . . 7116 1 334 . 1 1 26 26 PHE HB2 H 1 3.23 0.02 . 1 . . . . 26 . . . 7116 1 335 . 1 1 26 26 PHE HB3 H 1 2.71 0.02 . 1 . . . . 26 . . . 7116 1 336 . 1 1 26 26 PHE HD1 H 1 6.27 0.02 . 1 . . . . 26 . . . 7116 1 337 . 1 1 26 26 PHE HD2 H 1 6.27 0.02 . 1 . . . . 26 . . . 7116 1 338 . 1 1 26 26 PHE HE1 H 1 7.19 0.02 . 1 . . . . 26 . . . 7116 1 339 . 1 1 26 26 PHE HE2 H 1 7.19 0.02 . 1 . . . . 26 . . . 7116 1 340 . 1 1 26 26 PHE HZ H 1 7.28 0.02 . 1 . . . . 26 . . . 7116 1 341 . 1 1 26 26 PHE C C 13 176.96 0.05 . 1 . . . . 26 . . . 7116 1 342 . 1 1 26 26 PHE CA C 13 61.85 0.05 . 1 . . . . 26 . . . 7116 1 343 . 1 1 26 26 PHE CB C 13 39.63 0.05 . 1 . . . . 26 . . . 7116 1 344 . 1 1 26 26 PHE CD1 C 13 131.68 0.05 . 1 . . . . 26 . . . 7116 1 345 . 1 1 26 26 PHE CD2 C 13 131.68 0.05 . 1 . . . . 26 . . . 7116 1 346 . 1 1 26 26 PHE CE1 C 13 131.40 0.05 . 1 . . . . 26 . . . 7116 1 347 . 1 1 26 26 PHE CE2 C 13 131.40 0.05 . 1 . . . . 26 . . . 7116 1 348 . 1 1 26 26 PHE CZ C 13 130.10 0.05 . 1 . . . . 26 . . . 7116 1 349 . 1 1 26 26 PHE N N 15 119.99 0.05 . 1 . . . . 26 . . . 7116 1 350 . 1 1 27 27 TYR H H 1 7.45 0.02 . 1 . . . . 27 . . . 7116 1 351 . 1 1 27 27 TYR HA H 1 4.56 0.02 . 1 . . . . 27 . . . 7116 1 352 . 1 1 27 27 TYR HB2 H 1 2.38 0.02 . 1 . . . . 27 . . . 7116 1 353 . 1 1 27 27 TYR HB3 H 1 3.25 0.02 . 1 . . . . 27 . . . 7116 1 354 . 1 1 27 27 TYR HD1 H 1 6.98 0.02 . 1 . . . . 27 . . . 7116 1 355 . 1 1 27 27 TYR HD2 H 1 6.98 0.02 . 1 . . . . 27 . . . 7116 1 356 . 1 1 27 27 TYR HE1 H 1 6.98 0.02 . 1 . . . . 27 . . . 7116 1 357 . 1 1 27 27 TYR HE2 H 1 6.98 0.02 . 1 . . . . 27 . . . 7116 1 358 . 1 1 27 27 TYR C C 13 174.46 0.05 . 1 . . . . 27 . . . 7116 1 359 . 1 1 27 27 TYR CA C 13 59.31 0.05 . 1 . . . . 27 . . . 7116 1 360 . 1 1 27 27 TYR CB C 13 39.00 0.05 . 1 . . . . 27 . . . 7116 1 361 . 1 1 27 27 TYR CD1 C 13 133.60 0.05 . 1 . . . . 27 . . . 7116 1 362 . 1 1 27 27 TYR CD2 C 13 133.60 0.05 . 1 . . . . 27 . . . 7116 1 363 . 1 1 27 27 TYR CE1 C 13 119.44 0.05 . 1 . . . . 27 . . . 7116 1 364 . 1 1 27 27 TYR CE2 C 13 119.44 0.05 . 1 . . . . 27 . . . 7116 1 365 . 1 1 27 27 TYR N N 15 111.13 0.05 . 1 . . . . 27 . . . 7116 1 366 . 1 1 28 28 GLY H H 1 7.60 0.02 . 1 . . . . 28 . . . 7116 1 367 . 1 1 28 28 GLY HA2 H 1 3.91 0.02 . 1 . . . . 28 . . . 7116 1 368 . 1 1 28 28 GLY HA3 H 1 3.91 0.02 . 1 . . . . 28 . . . 7116 1 369 . 1 1 28 28 GLY C C 13 174.78 0.05 . 1 . . . . 28 . . . 7116 1 370 . 1 1 28 28 GLY CA C 13 47.84 0.05 . 1 . . . . 28 . . . 7116 1 371 . 1 1 28 28 GLY N N 15 111.02 0.05 . 1 . . . . 28 . . . 7116 1 372 . 1 1 29 29 ILE H H 1 8.60 0.02 . 1 . . . . 29 . . . 7116 1 373 . 1 1 29 29 ILE HA H 1 3.73 0.02 . 1 . . . . 29 . . . 7116 1 374 . 1 1 29 29 ILE HB H 1 1.55 0.02 . 1 . . . . 29 . . . 7116 1 375 . 1 1 29 29 ILE HG12 H 1 1.34 0.02 . 2 . . . . 29 . . . 7116 1 376 . 1 1 29 29 ILE HG13 H 1 -0.24 0.02 . 2 . . . . 29 . . . 7116 1 377 . 1 1 29 29 ILE HG21 H 1 0.70 0.02 . 1 . . . . 29 . . . 7116 1 378 . 1 1 29 29 ILE HG22 H 1 0.70 0.02 . 1 . . . . 29 . . . 7116 1 379 . 1 1 29 29 ILE HG23 H 1 0.70 0.02 . 1 . . . . 29 . . . 7116 1 380 . 1 1 29 29 ILE HD11 H 1 0.62 0.02 . 1 . . . . 29 . . . 7116 1 381 . 1 1 29 29 ILE HD12 H 1 0.62 0.02 . 1 . . . . 29 . . . 7116 1 382 . 1 1 29 29 ILE HD13 H 1 0.62 0.02 . 1 . . . . 29 . . . 7116 1 383 . 1 1 29 29 ILE C C 13 174.31 0.05 . 1 . . . . 29 . . . 7116 1 384 . 1 1 29 29 ILE CA C 13 61.90 0.05 . 1 . . . . 29 . . . 7116 1 385 . 1 1 29 29 ILE CB C 13 37.77 0.05 . 1 . . . . 29 . . . 7116 1 386 . 1 1 29 29 ILE CG1 C 13 26.81 0.05 . 1 . . . . 29 . . . 7116 1 387 . 1 1 29 29 ILE CG2 C 13 18.55 0.05 . 1 . . . . 29 . . . 7116 1 388 . 1 1 29 29 ILE CD1 C 13 13.66 0.05 . 1 . . . . 29 . . . 7116 1 389 . 1 1 29 29 ILE N N 15 118.07 0.05 . 1 . . . . 29 . . . 7116 1 390 . 1 1 30 30 GLU H H 1 8.36 0.02 . 1 . . . . 30 . . . 7116 1 391 . 1 1 30 30 GLU HA H 1 4.59 0.02 . 1 . . . . 30 . . . 7116 1 392 . 1 1 30 30 GLU HB2 H 1 1.83 0.02 . 1 . . . . 30 . . . 7116 1 393 . 1 1 30 30 GLU HB3 H 1 1.83 0.02 . 1 . . . . 30 . . . 7116 1 394 . 1 1 30 30 GLU HG2 H 1 2.51 0.02 . 1 . . . . 30 . . . 7116 1 395 . 1 1 30 30 GLU HG3 H 1 2.51 0.02 . 1 . . . . 30 . . . 7116 1 396 . 1 1 30 30 GLU C C 13 174.66 0.05 . 1 . . . . 30 . . . 7116 1 397 . 1 1 30 30 GLU CA C 13 53.36 0.05 . 1 . . . . 30 . . . 7116 1 398 . 1 1 30 30 GLU CB C 13 31.18 0.05 . 1 . . . . 30 . . . 7116 1 399 . 1 1 30 30 GLU CG C 13 32.46 0.05 . 1 . . . . 30 . . . 7116 1 400 . 1 1 30 30 GLU N N 15 128.73 0.05 . 1 . . . . 30 . . . 7116 1 401 . 1 1 31 31 GLN H H 1 8.60 0.02 . 1 . . . . 31 . . . 7116 1 402 . 1 1 31 31 GLN HA H 1 3.75 0.02 . 1 . . . . 31 . . . 7116 1 403 . 1 1 31 31 GLN HB2 H 1 2.04 0.02 . 2 . . . . 31 . . . 7116 1 404 . 1 1 31 31 GLN HB3 H 1 1.96 0.02 . 2 . . . . 31 . . . 7116 1 405 . 1 1 31 31 GLN HG2 H 1 2.37 0.02 . 2 . . . . 31 . . . 7116 1 406 . 1 1 31 31 GLN HG3 H 1 2.32 0.02 . 2 . . . . 31 . . . 7116 1 407 . 1 1 31 31 GLN HE21 H 1 7.49 0.02 . 1 . . . . 31 . . . 7116 1 408 . 1 1 31 31 GLN HE22 H 1 6.93 0.02 . 1 . . . . 31 . . . 7116 1 409 . 1 1 31 31 GLN C C 13 173.54 0.05 . 1 . . . . 31 . . . 7116 1 410 . 1 1 31 31 GLN CA C 13 58.03 0.05 . 1 . . . . 31 . . . 7116 1 411 . 1 1 31 31 GLN CB C 13 27.94 0.05 . 1 . . . . 31 . . . 7116 1 412 . 1 1 31 31 GLN CG C 13 33.33 0.05 . 1 . . . . 31 . . . 7116 1 413 . 1 1 31 31 GLN CD C 13 181.37 0.05 . . . . . . 31 . . . 7116 1 414 . 1 1 31 31 GLN N N 15 121.07 0.05 . 1 . . . . 31 . . . 7116 1 415 . 1 1 31 31 GLN NE2 N 15 110.19 0.05 . 1 . . . . 31 . . . 7116 1 416 . 1 1 32 32 GLY H H 1 9.39 0.02 . 1 . . . . 32 . . . 7116 1 417 . 1 1 32 32 GLY HA2 H 1 4.56 0.02 . 2 . . . . 32 . . . 7116 1 418 . 1 1 32 32 GLY HA3 H 1 3.50 0.02 . 2 . . . . 32 . . . 7116 1 419 . 1 1 32 32 GLY C C 13 173.72 0.05 . 1 . . . . 32 . . . 7116 1 420 . 1 1 32 32 GLY CA C 13 44.88 0.05 . 1 . . . . 32 . . . 7116 1 421 . 1 1 32 32 GLY N N 15 116.22 0.05 . 1 . . . . 32 . . . 7116 1 422 . 1 1 33 33 ASP H H 1 8.03 0.02 . 1 . . . . 33 . . . 7116 1 423 . 1 1 33 33 ASP HA H 1 4.73 0.02 . 1 . . . . 33 . . . 7116 1 424 . 1 1 33 33 ASP HB2 H 1 3.07 0.02 . 2 . . . . 33 . . . 7116 1 425 . 1 1 33 33 ASP HB3 H 1 3.01 0.02 . 2 . . . . 33 . . . 7116 1 426 . 1 1 33 33 ASP C C 13 173.70 0.05 . 1 . . . . 33 . . . 7116 1 427 . 1 1 33 33 ASP CA C 13 54.33 0.05 . 1 . . . . 33 . . . 7116 1 428 . 1 1 33 33 ASP CB C 13 40.98 0.05 . 1 . . . . 33 . . . 7116 1 429 . 1 1 33 33 ASP N N 15 118.49 0.05 . 1 . . . . 33 . . . 7116 1 430 . 1 1 34 34 PHE H H 1 8.69 0.02 . 1 . . . . 34 . . . 7116 1 431 . 1 1 34 34 PHE HA H 1 5.31 0.02 . 1 . . . . 34 . . . 7116 1 432 . 1 1 34 34 PHE HB2 H 1 2.19 0.02 . 1 . . . . 34 . . . 7116 1 433 . 1 1 34 34 PHE HB3 H 1 2.45 0.02 . 1 . . . . 34 . . . 7116 1 434 . 1 1 34 34 PHE HD1 H 1 6.97 0.02 . 1 . . . . 34 . . . 7116 1 435 . 1 1 34 34 PHE HD2 H 1 6.97 0.02 . 1 . . . . 34 . . . 7116 1 436 . 1 1 34 34 PHE HE1 H 1 7.41 0.02 . 1 . . . . 34 . . . 7116 1 437 . 1 1 34 34 PHE HE2 H 1 7.41 0.02 . 1 . . . . 34 . . . 7116 1 438 . 1 1 34 34 PHE HZ H 1 7.07 0.02 . 1 . . . . 34 . . . 7116 1 439 . 1 1 34 34 PHE C C 13 176.65 0.05 . 1 . . . . 34 . . . 7116 1 440 . 1 1 34 34 PHE CA C 13 57.60 0.05 . 1 . . . . 34 . . . 7116 1 441 . 1 1 34 34 PHE CB C 13 41.55 0.05 . 1 . . . . 34 . . . 7116 1 442 . 1 1 34 34 PHE CD1 C 13 131.65 0.05 . 1 . . . . 34 . . . 7116 1 443 . 1 1 34 34 PHE CD2 C 13 131.65 0.05 . 1 . . . . 34 . . . 7116 1 444 . 1 1 34 34 PHE CE1 C 13 130.10 0.05 . 1 . . . . 34 . . . 7116 1 445 . 1 1 34 34 PHE CE2 C 13 130.10 0.05 . 1 . . . . 34 . . . 7116 1 446 . 1 1 34 34 PHE N N 15 116.25 0.05 . 1 . . . . 34 . . . 7116 1 447 . 1 1 35 35 VAL H H 1 9.14 0.02 . 1 . . . . 35 . . . 7116 1 448 . 1 1 35 35 VAL HA H 1 5.10 0.02 . 1 . . . . 35 . . . 7116 1 449 . 1 1 35 35 VAL HB H 1 2.05 0.02 . 1 . . . . 35 . . . 7116 1 450 . 1 1 35 35 VAL HG11 H 1 0.89 0.02 . 1 . . . . 35 . . . 7116 1 451 . 1 1 35 35 VAL HG12 H 1 0.89 0.02 . 1 . . . . 35 . . . 7116 1 452 . 1 1 35 35 VAL HG13 H 1 0.89 0.02 . 1 . . . . 35 . . . 7116 1 453 . 1 1 35 35 VAL HG21 H 1 0.83 0.02 . 1 . . . . 35 . . . 7116 1 454 . 1 1 35 35 VAL HG22 H 1 0.83 0.02 . 1 . . . . 35 . . . 7116 1 455 . 1 1 35 35 VAL HG23 H 1 0.83 0.02 . 1 . . . . 35 . . . 7116 1 456 . 1 1 35 35 VAL C C 13 172.78 0.05 . 1 . . . . 35 . . . 7116 1 457 . 1 1 35 35 VAL CA C 13 58.53 0.05 . 1 . . . . 35 . . . 7116 1 458 . 1 1 35 35 VAL CB C 13 35.47 0.05 . 1 . . . . 35 . . . 7116 1 459 . 1 1 35 35 VAL CG1 C 13 23.17 0.05 . 1 . . . . 35 . . . 7116 1 460 . 1 1 35 35 VAL CG2 C 13 18.76 0.05 . 1 . . . . 35 . . . 7116 1 461 . 1 1 35 35 VAL N N 15 112.06 0.05 . 1 . . . . 35 . . . 7116 1 462 . 1 1 36 36 GLU H H 1 7.98 0.02 . 1 . . . . 36 . . . 7116 1 463 . 1 1 36 36 GLU HA H 1 5.09 0.02 . 1 . . . . 36 . . . 7116 1 464 . 1 1 36 36 GLU HB2 H 1 1.90 0.02 . 1 . . . . 36 . . . 7116 1 465 . 1 1 36 36 GLU HB3 H 1 1.90 0.02 . 1 . . . . 36 . . . 7116 1 466 . 1 1 36 36 GLU HG2 H 1 2.31 0.02 . 2 . . . . 36 . . . 7116 1 467 . 1 1 36 36 GLU HG3 H 1 2.09 0.02 . 2 . . . . 36 . . . 7116 1 468 . 1 1 36 36 GLU C C 13 174.15 0.05 . 1 . . . . 36 . . . 7116 1 469 . 1 1 36 36 GLU CA C 13 54.37 0.05 . 1 . . . . 36 . . . 7116 1 470 . 1 1 36 36 GLU CB C 13 30.14 0.05 . 1 . . . . 36 . . . 7116 1 471 . 1 1 36 36 GLU CG C 13 33.04 0.05 . 1 . . . . 36 . . . 7116 1 472 . 1 1 36 36 GLU N N 15 122.04 0.05 . 1 . . . . 36 . . . 7116 1 473 . 1 1 37 37 ILE H H 1 8.96 0.02 . 1 . . . . 37 . . . 7116 1 474 . 1 1 37 37 ILE HA H 1 4.89 0.02 . 1 . . . . 37 . . . 7116 1 475 . 1 1 37 37 ILE HB H 1 0.65 0.02 . 1 . . . . 37 . . . 7116 1 476 . 1 1 37 37 ILE HG12 H 1 1.08 0.02 . 2 . . . . 37 . . . 7116 1 477 . 1 1 37 37 ILE HG13 H 1 0.86 0.02 . 2 . . . . 37 . . . 7116 1 478 . 1 1 37 37 ILE HG21 H 1 0.63 0.02 . 1 . . . . 37 . . . 7116 1 479 . 1 1 37 37 ILE HG22 H 1 0.63 0.02 . 1 . . . . 37 . . . 7116 1 480 . 1 1 37 37 ILE HG23 H 1 0.63 0.02 . 1 . . . . 37 . . . 7116 1 481 . 1 1 37 37 ILE HD11 H 1 0.66 0.02 . 1 . . . . 37 . . . 7116 1 482 . 1 1 37 37 ILE HD12 H 1 0.66 0.02 . 1 . . . . 37 . . . 7116 1 483 . 1 1 37 37 ILE HD13 H 1 0.66 0.02 . 1 . . . . 37 . . . 7116 1 484 . 1 1 37 37 ILE C C 13 172.59 0.05 . 1 . . . . 37 . . . 7116 1 485 . 1 1 37 37 ILE CA C 13 58.19 0.05 . 1 . . . . 37 . . . 7116 1 486 . 1 1 37 37 ILE CB C 13 41.46 0.05 . 1 . . . . 37 . . . 7116 1 487 . 1 1 37 37 ILE CG1 C 13 27.21 0.05 . 1 . . . . 37 . . . 7116 1 488 . 1 1 37 37 ILE CG2 C 13 19.82 0.05 . 1 . . . . 37 . . . 7116 1 489 . 1 1 37 37 ILE CD1 C 13 12.76 0.05 . 1 . . . . 37 . . . 7116 1 490 . 1 1 37 37 ILE N N 15 127.88 0.05 . 1 . . . . 37 . . . 7116 1 491 . 1 1 38 38 LYS H H 1 8.99 0.02 . 1 . . . . 38 . . . 7116 1 492 . 1 1 38 38 LYS HA H 1 5.43 0.02 . 1 . . . . 38 . . . 7116 1 493 . 1 1 38 38 LYS HB2 H 1 1.77 0.02 . 1 . . . . 38 . . . 7116 1 494 . 1 1 38 38 LYS HB3 H 1 1.77 0.02 . 1 . . . . 38 . . . 7116 1 495 . 1 1 38 38 LYS HG2 H 1 1.44 0.02 . 2 . . . . 38 . . . 7116 1 496 . 1 1 38 38 LYS HG3 H 1 1.06 0.02 . 2 . . . . 38 . . . 7116 1 497 . 1 1 38 38 LYS HD2 H 1 1.55 0.02 . 1 . . . . 38 . . . 7116 1 498 . 1 1 38 38 LYS HD3 H 1 1.55 0.02 . 1 . . . . 38 . . . 7116 1 499 . 1 1 38 38 LYS HE2 H 1 2.78 0.02 . 2 . . . . 38 . . . 7116 1 500 . 1 1 38 38 LYS HE3 H 1 2.69 0.02 . 2 . . . . 38 . . . 7116 1 501 . 1 1 38 38 LYS C C 13 174.63 0.05 . 1 . . . . 38 . . . 7116 1 502 . 1 1 38 38 LYS CA C 13 54.18 0.05 . 1 . . . . 38 . . . 7116 1 503 . 1 1 38 38 LYS CB C 13 36.59 0.05 . 1 . . . . 38 . . . 7116 1 504 . 1 1 38 38 LYS CG C 13 25.07 0.05 . 1 . . . . 38 . . . 7116 1 505 . 1 1 38 38 LYS CD C 13 29.98 0.05 . 1 . . . . 38 . . . 7116 1 506 . 1 1 38 38 LYS CE C 13 42.29 0.05 . 1 . . . . 38 . . . 7116 1 507 . 1 1 38 38 LYS N N 15 125.88 0.05 . 1 . . . . 38 . . . 7116 1 508 . 1 1 39 39 ILE H H 1 9.02 0.02 . 1 . . . . 39 . . . 7116 1 509 . 1 1 39 39 ILE HA H 1 5.25 0.02 . 1 . . . . 39 . . . 7116 1 510 . 1 1 39 39 ILE HB H 1 1.79 0.02 . 1 . . . . 39 . . . 7116 1 511 . 1 1 39 39 ILE HG12 H 1 1.66 0.02 . 2 . . . . 39 . . . 7116 1 512 . 1 1 39 39 ILE HG13 H 1 1.31 0.02 . 2 . . . . 39 . . . 7116 1 513 . 1 1 39 39 ILE HG21 H 1 0.97 0.02 . 1 . . . . 39 . . . 7116 1 514 . 1 1 39 39 ILE HG22 H 1 0.97 0.02 . 1 . . . . 39 . . . 7116 1 515 . 1 1 39 39 ILE HG23 H 1 0.97 0.02 . 1 . . . . 39 . . . 7116 1 516 . 1 1 39 39 ILE HD11 H 1 0.85 0.02 . 1 . . . . 39 . . . 7116 1 517 . 1 1 39 39 ILE HD12 H 1 0.85 0.02 . 1 . . . . 39 . . . 7116 1 518 . 1 1 39 39 ILE HD13 H 1 0.85 0.02 . 1 . . . . 39 . . . 7116 1 519 . 1 1 39 39 ILE C C 13 174.47 0.05 . 1 . . . . 39 . . . 7116 1 520 . 1 1 39 39 ILE CA C 13 58.44 0.05 . 1 . . . . 39 . . . 7116 1 521 . 1 1 39 39 ILE CB C 13 40.77 0.05 . 1 . . . . 39 . . . 7116 1 522 . 1 1 39 39 ILE CG1 C 13 26.26 0.05 . 1 . . . . 39 . . . 7116 1 523 . 1 1 39 39 ILE CG2 C 13 18.98 0.05 . 1 . . . . 39 . . . 7116 1 524 . 1 1 39 39 ILE CD1 C 13 14.64 0.05 . 1 . . . . 39 . . . 7116 1 525 . 1 1 39 39 ILE N N 15 121.61 0.05 . 1 . . . . 39 . . . 7116 1 526 . 1 1 40 40 VAL H H 1 8.65 0.02 . 1 . . . . 40 . . . 7116 1 527 . 1 1 40 40 VAL HA H 1 4.67 0.02 . 1 . . . . 40 . . . 7116 1 528 . 1 1 40 40 VAL HB H 1 1.90 0.02 . 1 . . . . 40 . . . 7116 1 529 . 1 1 40 40 VAL HG11 H 1 0.66 0.02 . 1 . . . . 40 . . . 7116 1 530 . 1 1 40 40 VAL HG12 H 1 0.66 0.02 . 1 . . . . 40 . . . 7116 1 531 . 1 1 40 40 VAL HG13 H 1 0.66 0.02 . 1 . . . . 40 . . . 7116 1 532 . 1 1 40 40 VAL HG21 H 1 0.77 0.02 . 1 . . . . 40 . . . 7116 1 533 . 1 1 40 40 VAL HG22 H 1 0.77 0.02 . 1 . . . . 40 . . . 7116 1 534 . 1 1 40 40 VAL HG23 H 1 0.77 0.02 . 1 . . . . 40 . . . 7116 1 535 . 1 1 40 40 VAL CA C 13 61.40 0.05 . 1 . . . . 40 . . . 7116 1 536 . 1 1 40 40 VAL CB C 13 35.50 0.05 . 1 . . . . 40 . . . 7116 1 537 . 1 1 40 40 VAL CG1 C 13 21.26 0.05 . 1 . . . . 40 . . . 7116 1 538 . 1 1 40 40 VAL CG2 C 13 20.56 0.05 . 1 . . . . 40 . . . 7116 1 539 . 1 1 40 40 VAL N N 15 121.24 0.05 . 1 . . . . 40 . . . 7116 1 540 . 1 1 41 41 LYS H H 1 8.92 0.02 . 1 . . . . 41 . . . 7116 1 541 . 1 1 41 41 LYS HA H 1 4.77 0.02 . 1 . . . . 41 . . . 7116 1 542 . 1 1 41 41 LYS HB2 H 1 1.82 0.02 . 2 . . . . 41 . . . 7116 1 543 . 1 1 41 41 LYS HB3 H 1 1.55 0.02 . 2 . . . . 41 . . . 7116 1 544 . 1 1 41 41 LYS HG2 H 1 1.34 0.02 . 1 . . . . 41 . . . 7116 1 545 . 1 1 41 41 LYS HG3 H 1 1.34 0.02 . 1 . . . . 41 . . . 7116 1 546 . 1 1 41 41 LYS HD2 H 1 1.65 0.02 . 1 . . . . 41 . . . 7116 1 547 . 1 1 41 41 LYS HD3 H 1 1.65 0.02 . 1 . . . . 41 . . . 7116 1 548 . 1 1 41 41 LYS HE2 H 1 3.04 0.02 . 1 . . . . 41 . . . 7116 1 549 . 1 1 41 41 LYS HE3 H 1 3.04 0.02 . 1 . . . . 41 . . . 7116 1 550 . 1 1 41 41 LYS C C 13 174.31 0.05 . 1 . . . . 41 . . . 7116 1 551 . 1 1 41 41 LYS CA C 13 54.90 0.05 . 1 . . . . 41 . . . 7116 1 552 . 1 1 41 41 LYS CB C 13 35.87 0.05 . 1 . . . . 41 . . . 7116 1 553 . 1 1 41 41 LYS CG C 13 25.11 0.05 . 1 . . . . 41 . . . 7116 1 554 . 1 1 41 41 LYS CD C 13 29.56 0.05 . 1 . . . . 41 . . . 7116 1 555 . 1 1 41 41 LYS CE C 13 42.30 0.05 . 1 . . . . 41 . . . 7116 1 556 . 1 1 42 42 TYR H H 1 8.82 0.02 . 1 . . . . 42 . . . 7116 1 557 . 1 1 42 42 TYR HA H 1 4.71 0.02 . 1 . . . . 42 . . . 7116 1 558 . 1 1 42 42 TYR HB2 H 1 2.97 0.02 . 1 . . . . 42 . . . 7116 1 559 . 1 1 42 42 TYR HB3 H 1 2.97 0.02 . 1 . . . . 42 . . . 7116 1 560 . 1 1 42 42 TYR HD1 H 1 7.03 0.02 . 1 . . . . 42 . . . 7116 1 561 . 1 1 42 42 TYR HD2 H 1 7.03 0.02 . 1 . . . . 42 . . . 7116 1 562 . 1 1 42 42 TYR HE1 H 1 6.76 0.02 . 1 . . . . 42 . . . 7116 1 563 . 1 1 42 42 TYR HE2 H 1 6.76 0.02 . 1 . . . . 42 . . . 7116 1 564 . 1 1 42 42 TYR C C 13 175.54 0.05 . 1 . . . . 42 . . . 7116 1 565 . 1 1 42 42 TYR CA C 13 58.93 0.05 . 1 . . . . 42 . . . 7116 1 566 . 1 1 42 42 TYR CB C 13 39.29 0.05 . 1 . . . . 42 . . . 7116 1 567 . 1 1 42 42 TYR CD1 C 13 133.12 0.05 . 1 . . . . 42 . . . 7116 1 568 . 1 1 42 42 TYR CD2 C 13 133.12 0.05 . 1 . . . . 42 . . . 7116 1 569 . 1 1 42 42 TYR CE1 C 13 118.33 0.05 . 1 . . . . 42 . . . 7116 1 570 . 1 1 42 42 TYR CE2 C 13 118.33 0.05 . 1 . . . . 42 . . . 7116 1 571 . 1 1 42 42 TYR N N 15 125.02 0.05 . 1 . . . . 42 . . . 7116 1 572 . 1 1 43 43 GLU H H 1 8.54 0.02 . 1 . . . . 43 . . . 7116 1 573 . 1 1 43 43 GLU HA H 1 4.59 0.02 . 1 . . . . 43 . . . 7116 1 574 . 1 1 43 43 GLU HB2 H 1 2.17 0.02 . 2 . . . . 43 . . . 7116 1 575 . 1 1 43 43 GLU HB3 H 1 1.98 0.02 . 2 . . . . 43 . . . 7116 1 576 . 1 1 43 43 GLU HG2 H 1 2.41 0.02 . 1 . . . . 43 . . . 7116 1 577 . 1 1 43 43 GLU HG3 H 1 2.41 0.02 . 1 . . . . 43 . . . 7116 1 578 . 1 1 43 43 GLU C C 13 175.71 0.05 . 1 . . . . 43 . . . 7116 1 579 . 1 1 43 43 GLU CA C 13 55.13 0.05 . 1 . . . . 43 . . . 7116 1 580 . 1 1 43 43 GLU CB C 13 28.76 0.05 . 1 . . . . 43 . . . 7116 1 581 . 1 1 43 43 GLU CG C 13 32.78 0.05 . 1 . . . . 43 . . . 7116 1 582 . 1 1 43 43 GLU N N 15 124.02 0.05 . 1 . . . . 43 . . . 7116 1 583 . 1 1 44 44 GLY H H 1 8.75 0.02 . 1 . . . . 44 . . . 7116 1 584 . 1 1 44 44 GLY HA2 H 1 4.15 0.02 . 2 . . . . 44 . . . 7116 1 585 . 1 1 44 44 GLY HA3 H 1 3.81 0.02 . 2 . . . . 44 . . . 7116 1 586 . 1 1 44 44 GLY C C 13 174.29 0.05 . 1 . . . . 44 . . . 7116 1 587 . 1 1 44 44 GLY CA C 13 46.51 0.05 . 1 . . . . 44 . . . 7116 1 588 . 1 1 44 44 GLY N N 15 114.50 0.05 . 1 . . . . 44 . . . 7116 1 589 . 1 1 45 45 GLU H H 1 8.82 0.02 . 1 . . . . 45 . . . 7116 1 590 . 1 1 45 45 GLU HA H 1 4.42 0.02 . 1 . . . . 45 . . . 7116 1 591 . 1 1 45 45 GLU HB2 H 1 2.38 0.02 . 1 . . . . 45 . . . 7116 1 592 . 1 1 45 45 GLU HB3 H 1 2.11 0.02 . 1 . . . . 45 . . . 7116 1 593 . 1 1 45 45 GLU HG2 H 1 2.58 0.02 . 1 . . . . 45 . . . 7116 1 594 . 1 1 45 45 GLU HG3 H 1 2.58 0.02 . 1 . . . . 45 . . . 7116 1 595 . 1 1 45 45 GLU C C 13 175.61 0.05 . 1 . . . . 45 . . . 7116 1 596 . 1 1 45 45 GLU CA C 13 56.49 0.05 . 1 . . . . 45 . . . 7116 1 597 . 1 1 45 45 GLU CB C 13 28.78 0.05 . 1 . . . . 45 . . . 7116 1 598 . 1 1 45 45 GLU CG C 13 33.32 0.05 . 1 . . . . 45 . . . 7116 1 599 . 1 1 45 45 GLU N N 15 121.80 0.05 . 1 . . . . 45 . . . 7116 1 600 . 1 1 46 46 GLU H H 1 8.01 0.02 . 1 . . . . 46 . . . 7116 1 601 . 1 1 46 46 GLU HA H 1 4.99 0.02 . 1 . . . . 46 . . . 7116 1 602 . 1 1 46 46 GLU HB2 H 1 2.26 0.02 . 1 . . . . 46 . . . 7116 1 603 . 1 1 46 46 GLU HB3 H 1 2.15 0.02 . 1 . . . . 46 . . . 7116 1 604 . 1 1 46 46 GLU HG2 H 1 2.49 0.02 . 1 . . . . 46 . . . 7116 1 605 . 1 1 46 46 GLU HG3 H 1 2.49 0.02 . 1 . . . . 46 . . . 7116 1 606 . 1 1 46 46 GLU CA C 13 52.89 0.05 . 1 . . . . 46 . . . 7116 1 607 . 1 1 46 46 GLU CB C 13 29.66 0.05 . 1 . . . . 46 . . . 7116 1 608 . 1 1 46 46 GLU CG C 13 32.40 0.05 . 1 . . . . 46 . . . 7116 1 609 . 1 1 46 46 GLU N N 15 119.02 0.05 . 1 . . . . 46 . . . 7116 1 610 . 1 1 47 47 PRO HA H 1 4.32 0.02 . 1 . . . . 47 . . . 7116 1 611 . 1 1 47 47 PRO HB2 H 1 1.66 0.02 . 1 . . . . 47 . . . 7116 1 612 . 1 1 47 47 PRO HB3 H 1 1.66 0.02 . 1 . . . . 47 . . . 7116 1 613 . 1 1 47 47 PRO HG2 H 1 2.13 0.02 . 2 . . . . 47 . . . 7116 1 614 . 1 1 47 47 PRO HG3 H 1 2.04 0.02 . 2 . . . . 47 . . . 7116 1 615 . 1 1 47 47 PRO HD2 H 1 3.85 0.02 . 1 . . . . 47 . . . 7116 1 616 . 1 1 47 47 PRO HD3 H 1 3.98 0.02 . 1 . . . . 47 . . . 7116 1 617 . 1 1 47 47 PRO C C 13 176.35 0.05 . 1 . . . . 47 . . . 7116 1 618 . 1 1 47 47 PRO CA C 13 62.64 0.05 . 1 . . . . 47 . . . 7116 1 619 . 1 1 47 47 PRO CB C 13 31.96 0.05 . 1 . . . . 47 . . . 7116 1 620 . 1 1 47 47 PRO CG C 13 26.96 0.05 . 1 . . . . 47 . . . 7116 1 621 . 1 1 47 47 PRO CD C 13 50.75 0.05 . 1 . . . . 47 . . . 7116 1 622 . 1 1 48 48 LYS H H 1 8.56 0.02 . 1 . . . . 48 . . . 7116 1 623 . 1 1 48 48 LYS HA H 1 4.68 0.02 . 1 . . . . 48 . . . 7116 1 624 . 1 1 48 48 LYS HB2 H 1 1.91 0.02 . 1 . . . . 48 . . . 7116 1 625 . 1 1 48 48 LYS HB3 H 1 1.82 0.02 . 1 . . . . 48 . . . 7116 1 626 . 1 1 48 48 LYS HG2 H 1 1.60 0.02 . 1 . . . . 48 . . . 7116 1 627 . 1 1 48 48 LYS HG3 H 1 1.60 0.02 . 1 . . . . 48 . . . 7116 1 628 . 1 1 48 48 LYS HD2 H 1 1.83 0.02 . 1 . . . . 48 . . . 7116 1 629 . 1 1 48 48 LYS HD3 H 1 1.83 0.02 . 1 . . . . 48 . . . 7116 1 630 . 1 1 48 48 LYS HE2 H 1 3.08 0.02 . 1 . . . . 48 . . . 7116 1 631 . 1 1 48 48 LYS HE3 H 1 3.08 0.02 . 1 . . . . 48 . . . 7116 1 632 . 1 1 48 48 LYS C C 13 174.59 0.05 . 1 . . . . 48 . . . 7116 1 633 . 1 1 48 48 LYS CA C 13 55.16 0.05 . 1 . . . . 48 . . . 7116 1 634 . 1 1 48 48 LYS CB C 13 34.82 0.05 . 1 . . . . 48 . . . 7116 1 635 . 1 1 48 48 LYS CG C 13 24.80 0.05 . 1 . . . . 48 . . . 7116 1 636 . 1 1 48 48 LYS CD C 13 28.98 0.05 . 1 . . . . 48 . . . 7116 1 637 . 1 1 48 48 LYS CE C 13 42.31 0.05 . 1 . . . . 48 . . . 7116 1 638 . 1 1 48 48 LYS N N 15 122.80 0.05 . 1 . . . . 48 . . . 7116 1 639 . 1 1 49 49 GLU H H 1 8.51 0.02 . 1 . . . . 49 . . . 7116 1 640 . 1 1 49 49 GLU HA H 1 5.78 0.02 . 1 . . . . 49 . . . 7116 1 641 . 1 1 49 49 GLU HB2 H 1 2.08 0.02 . 1 . . . . 49 . . . 7116 1 642 . 1 1 49 49 GLU HB3 H 1 2.08 0.02 . 1 . . . . 49 . . . 7116 1 643 . 1 1 49 49 GLU HG2 H 1 2.43 0.02 . 2 . . . . 49 . . . 7116 1 644 . 1 1 49 49 GLU HG3 H 1 2.34 0.02 . 2 . . . . 49 . . . 7116 1 645 . 1 1 49 49 GLU C C 13 174.93 0.05 . 1 . . . . 49 . . . 7116 1 646 . 1 1 49 49 GLU CA C 13 53.51 0.05 . 1 . . . . 49 . . . 7116 1 647 . 1 1 49 49 GLU CB C 13 32.92 0.05 . 1 . . . . 49 . . . 7116 1 648 . 1 1 49 49 GLU CG C 13 31.91 0.05 . 1 . . . . 49 . . . 7116 1 649 . 1 1 49 49 GLU N N 15 117.89 0.05 . 1 . . . . 49 . . . 7116 1 650 . 1 1 50 50 GLY H H 1 8.23 0.02 . 1 . . . . 50 . . . 7116 1 651 . 1 1 50 50 GLY HA2 H 1 4.51 0.02 . 2 . . . . 50 . . . 7116 1 652 . 1 1 50 50 GLY HA3 H 1 3.87 0.02 . 2 . . . . 50 . . . 7116 1 653 . 1 1 50 50 GLY C C 13 170.77 0.05 . 1 . . . . 50 . . . 7116 1 654 . 1 1 50 50 GLY CA C 13 46.08 0.05 . 1 . . . . 50 . . . 7116 1 655 . 1 1 50 50 GLY N N 15 105.62 0.05 . 1 . . . . 50 . . . 7116 1 656 . 1 1 51 51 THR H H 1 8.58 0.02 . 1 . . . . 51 . . . 7116 1 657 . 1 1 51 51 THR HA H 1 5.79 0.02 . 1 . . . . 51 . . . 7116 1 658 . 1 1 51 51 THR HB H 1 4.00 0.02 . 1 . . . . 51 . . . 7116 1 659 . 1 1 51 51 THR HG1 H 1 4.82 0.02 . 1 . . . . 51 . . . 7116 1 660 . 1 1 51 51 THR HG21 H 1 1.14 0.02 . 1 . . . . 51 . . . 7116 1 661 . 1 1 51 51 THR HG22 H 1 1.14 0.02 . 1 . . . . 51 . . . 7116 1 662 . 1 1 51 51 THR HG23 H 1 1.14 0.02 . 1 . . . . 51 . . . 7116 1 663 . 1 1 51 51 THR C C 13 173.16 0.05 . 1 . . . . 51 . . . 7116 1 664 . 1 1 51 51 THR CA C 13 61.19 0.05 . 1 . . . . 51 . . . 7116 1 665 . 1 1 51 51 THR CB C 13 71.48 0.05 . 1 . . . . 51 . . . 7116 1 666 . 1 1 51 51 THR CG2 C 13 21.57 0.05 . 1 . . . . 51 . . . 7116 1 667 . 1 1 51 51 THR N N 15 116.46 0.05 . 1 . . . . 51 . . . 7116 1 668 . 1 1 52 52 PHE H H 1 9.27 0.02 . 1 . . . . 52 . . . 7116 1 669 . 1 1 52 52 PHE HA H 1 5.14 0.02 . 1 . . . . 52 . . . 7116 1 670 . 1 1 52 52 PHE HB2 H 1 3.24 0.02 . 1 . . . . 52 . . . 7116 1 671 . 1 1 52 52 PHE HB3 H 1 3.24 0.02 . 1 . . . . 52 . . . 7116 1 672 . 1 1 52 52 PHE HD1 H 1 6.98 0.02 . 1 . . . . 52 . . . 7116 1 673 . 1 1 52 52 PHE HD2 H 1 6.98 0.02 . 1 . . . . 52 . . . 7116 1 674 . 1 1 52 52 PHE HE1 H 1 7.47 0.02 . 1 . . . . 52 . . . 7116 1 675 . 1 1 52 52 PHE HE2 H 1 7.47 0.02 . 1 . . . . 52 . . . 7116 1 676 . 1 1 52 52 PHE HZ H 1 6.98 0.02 . 1 . . . . 52 . . . 7116 1 677 . 1 1 52 52 PHE C C 13 171.68 0.05 . 1 . . . . 52 . . . 7116 1 678 . 1 1 52 52 PHE CA C 13 56.50 0.05 . 1 . . . . 52 . . . 7116 1 679 . 1 1 52 52 PHE CB C 13 41.11 0.05 . 1 . . . . 52 . . . 7116 1 680 . 1 1 52 52 PHE N N 15 121.11 0.05 . 1 . . . . 52 . . . 7116 1 681 . 1 1 53 53 THR H H 1 8.74 0.02 . 1 . . . . 53 . . . 7116 1 682 . 1 1 53 53 THR HA H 1 5.52 0.02 . 1 . . . . 53 . . . 7116 1 683 . 1 1 53 53 THR HB H 1 4.09 0.02 . 1 . . . . 53 . . . 7116 1 684 . 1 1 53 53 THR HG1 H 1 4.80 0.02 . 1 . . . . 53 . . . 7116 1 685 . 1 1 53 53 THR HG21 H 1 1.29 0.02 . 1 . . . . 53 . . . 7116 1 686 . 1 1 53 53 THR HG22 H 1 1.29 0.02 . 1 . . . . 53 . . . 7116 1 687 . 1 1 53 53 THR HG23 H 1 1.29 0.02 . 1 . . . . 53 . . . 7116 1 688 . 1 1 53 53 THR C C 13 173.99 0.05 . 1 . . . . 53 . . . 7116 1 689 . 1 1 53 53 THR CA C 13 61.22 0.05 . 1 . . . . 53 . . . 7116 1 690 . 1 1 53 53 THR CB C 13 70.68 0.05 . 1 . . . . 53 . . . 7116 1 691 . 1 1 53 53 THR CG2 C 13 21.71 0.05 . 1 . . . . 53 . . . 7116 1 692 . 1 1 53 53 THR N N 15 116.29 0.05 . 1 . . . . 53 . . . 7116 1 693 . 1 1 54 54 ALA H H 1 9.17 0.02 . 1 . . . . 54 . . . 7116 1 694 . 1 1 54 54 ALA HA H 1 5.06 0.02 . 1 . . . . 54 . . . 7116 1 695 . 1 1 54 54 ALA HB1 H 1 1.71 0.02 . 1 . . . . 54 . . . 7116 1 696 . 1 1 54 54 ALA HB2 H 1 1.71 0.02 . 1 . . . . 54 . . . 7116 1 697 . 1 1 54 54 ALA HB3 H 1 1.71 0.02 . 1 . . . . 54 . . . 7116 1 698 . 1 1 54 54 ALA C C 13 174.31 0.05 . 1 . . . . 54 . . . 7116 1 699 . 1 1 54 54 ALA CA C 13 51.07 0.05 . 1 . . . . 54 . . . 7116 1 700 . 1 1 54 54 ALA CB C 13 24.66 0.05 . 1 . . . . 54 . . . 7116 1 701 . 1 1 54 54 ALA N N 15 127.96 0.05 . 1 . . . . 54 . . . 7116 1 702 . 1 1 55 55 ARG H H 1 8.57 0.02 . 1 . . . . 55 . . . 7116 1 703 . 1 1 55 55 ARG HA H 1 4.58 0.02 . 1 . . . . 55 . . . 7116 1 704 . 1 1 55 55 ARG HB2 H 1 1.51 0.02 . 1 . . . . 55 . . . 7116 1 705 . 1 1 55 55 ARG HB3 H 1 1.45 0.02 . 1 . . . . 55 . . . 7116 1 706 . 1 1 55 55 ARG HG2 H 1 1.05 0.02 . 2 . . . . 55 . . . 7116 1 707 . 1 1 55 55 ARG HG3 H 1 0.97 0.02 . 2 . . . . 55 . . . 7116 1 708 . 1 1 55 55 ARG HD2 H 1 3.00 0.02 . 1 . . . . 55 . . . 7116 1 709 . 1 1 55 55 ARG HD3 H 1 3.00 0.02 . 1 . . . . 55 . . . 7116 1 710 . 1 1 55 55 ARG HE H 1 7.18 0.02 . 1 . . . . 55 . . . 7116 1 711 . 1 1 55 55 ARG C C 13 175.90 0.05 . 1 . . . . 55 . . . 7116 1 712 . 1 1 55 55 ARG CA C 13 54.94 0.05 . 1 . . . . 55 . . . 7116 1 713 . 1 1 55 55 ARG CB C 13 31.89 0.05 . 1 . . . . 55 . . . 7116 1 714 . 1 1 55 55 ARG CG C 13 27.49 0.05 . 1 . . . . 55 . . . 7116 1 715 . 1 1 55 55 ARG CD C 13 43.74 0.05 . 1 . . . . 55 . . . 7116 1 716 . 1 1 55 55 ARG N N 15 120.15 0.05 . 1 . . . . 55 . . . 7116 1 717 . 1 1 56 56 VAL H H 1 8.89 0.02 . 1 . . . . 56 . . . 7116 1 718 . 1 1 56 56 VAL HA H 1 4.04 0.02 . 1 . . . . 56 . . . 7116 1 719 . 1 1 56 56 VAL HB H 1 2.04 0.02 . 1 . . . . 56 . . . 7116 1 720 . 1 1 56 56 VAL HG11 H 1 0.76 0.02 . 1 . . . . 56 . . . 7116 1 721 . 1 1 56 56 VAL HG12 H 1 0.76 0.02 . 1 . . . . 56 . . . 7116 1 722 . 1 1 56 56 VAL HG13 H 1 0.76 0.02 . 1 . . . . 56 . . . 7116 1 723 . 1 1 56 56 VAL HG21 H 1 0.90 0.02 . 1 . . . . 56 . . . 7116 1 724 . 1 1 56 56 VAL HG22 H 1 0.90 0.02 . 1 . . . . 56 . . . 7116 1 725 . 1 1 56 56 VAL HG23 H 1 0.90 0.02 . 1 . . . . 56 . . . 7116 1 726 . 1 1 56 56 VAL C C 13 176.96 0.05 . 1 . . . . 56 . . . 7116 1 727 . 1 1 56 56 VAL CA C 13 63.19 0.05 . 1 . . . . 56 . . . 7116 1 728 . 1 1 56 56 VAL CB C 13 31.78 0.05 . 1 . . . . 56 . . . 7116 1 729 . 1 1 56 56 VAL CG1 C 13 23.56 0.05 . 1 . . . . 56 . . . 7116 1 730 . 1 1 56 56 VAL CG2 C 13 21.14 0.05 . 1 . . . . 56 . . . 7116 1 731 . 1 1 56 56 VAL N N 15 125.89 0.05 . 1 . . . . 56 . . . 7116 1 732 . 1 1 57 57 GLY H H 1 9.61 0.02 . 1 . . . . 57 . . . 7116 1 733 . 1 1 57 57 GLY HA2 H 1 4.61 0.02 . 2 . . . . 57 . . . 7116 1 734 . 1 1 57 57 GLY HA3 H 1 3.79 0.02 . 2 . . . . 57 . . . 7116 1 735 . 1 1 57 57 GLY C C 13 173.44 0.05 . 1 . . . . 57 . . . 7116 1 736 . 1 1 57 57 GLY CA C 13 44.00 0.05 . 1 . . . . 57 . . . 7116 1 737 . 1 1 57 57 GLY N N 15 119.20 0.05 . 1 . . . . 57 . . . 7116 1 738 . 1 1 58 58 GLU H H 1 8.61 0.02 . 1 . . . . 58 . . . 7116 1 739 . 1 1 58 58 GLU HA H 1 4.10 0.02 . 1 . . . . 58 . . . 7116 1 740 . 1 1 58 58 GLU HB2 H 1 2.11 0.02 . 1 . . . . 58 . . . 7116 1 741 . 1 1 58 58 GLU HB3 H 1 2.11 0.02 . 1 . . . . 58 . . . 7116 1 742 . 1 1 58 58 GLU HG2 H 1 2.47 0.02 . 1 . . . . 58 . . . 7116 1 743 . 1 1 58 58 GLU HG3 H 1 2.47 0.02 . 1 . . . . 58 . . . 7116 1 744 . 1 1 58 58 GLU C C 13 177.23 0.05 . 1 . . . . 58 . . . 7116 1 745 . 1 1 58 58 GLU CA C 13 56.99 0.05 . 1 . . . . 58 . . . 7116 1 746 . 1 1 58 58 GLU CB C 13 28.54 0.05 . 1 . . . . 58 . . . 7116 1 747 . 1 1 58 58 GLU CG C 13 32.88 0.05 . 1 . . . . 58 . . . 7116 1 748 . 1 1 58 58 GLU N N 15 119.99 0.05 . 1 . . . . 58 . . . 7116 1 749 . 1 1 59 59 GLN H H 1 9.26 0.02 . 1 . . . . 59 . . . 7116 1 750 . 1 1 59 59 GLN HA H 1 3.92 0.02 . 1 . . . . 59 . . . 7116 1 751 . 1 1 59 59 GLN HB2 H 1 2.10 0.02 . 1 . . . . 59 . . . 7116 1 752 . 1 1 59 59 GLN HB3 H 1 2.34 0.02 . 1 . . . . 59 . . . 7116 1 753 . 1 1 59 59 GLN HG2 H 1 2.40 0.02 . 1 . . . . 59 . . . 7116 1 754 . 1 1 59 59 GLN HG3 H 1 2.40 0.02 . 1 . . . . 59 . . . 7116 1 755 . 1 1 59 59 GLN HE21 H 1 7.55 0.02 . 1 . . . . 59 . . . 7116 1 756 . 1 1 59 59 GLN HE22 H 1 6.86 0.02 . 1 . . . . 59 . . . 7116 1 757 . 1 1 59 59 GLN C C 13 174.93 0.05 . 1 . . . . 59 . . . 7116 1 758 . 1 1 59 59 GLN CA C 13 56.50 0.05 . 1 . . . . 59 . . . 7116 1 759 . 1 1 59 59 GLN CB C 13 27.19 0.05 . 1 . . . . 59 . . . 7116 1 760 . 1 1 59 59 GLN CG C 13 34.42 0.05 . 1 . . . . 59 . . . 7116 1 761 . 1 1 59 59 GLN CD C 13 183.00 0.05 . . . . . . 59 . . . 7116 1 762 . 1 1 59 59 GLN N N 15 119.35 0.05 . 1 . . . . 59 . . . 7116 1 763 . 1 1 59 59 GLN NE2 N 15 112.24 0.05 . 1 . . . . 59 . . . 7116 1 764 . 1 1 60 60 GLY H H 1 8.48 0.02 . 1 . . . . 60 . . . 7116 1 765 . 1 1 60 60 GLY HA2 H 1 3.97 0.02 . 2 . . . . 60 . . . 7116 1 766 . 1 1 60 60 GLY HA3 H 1 3.26 0.02 . 2 . . . . 60 . . . 7116 1 767 . 1 1 60 60 GLY C C 13 173.06 0.05 . 1 . . . . 60 . . . 7116 1 768 . 1 1 60 60 GLY CA C 13 46.57 0.05 . 1 . . . . 60 . . . 7116 1 769 . 1 1 60 60 GLY N N 15 103.61 0.05 . 1 . . . . 60 . . . 7116 1 770 . 1 1 61 61 SER H H 1 7.11 0.02 . 1 . . . . 61 . . . 7116 1 771 . 1 1 61 61 SER HA H 1 5.10 0.02 . 1 . . . . 61 . . . 7116 1 772 . 1 1 61 61 SER HB2 H 1 3.80 0.02 . 1 . . . . 61 . . . 7116 1 773 . 1 1 61 61 SER HB3 H 1 3.80 0.02 . 1 . . . . 61 . . . 7116 1 774 . 1 1 61 61 SER C C 13 173.70 0.05 . 1 . . . . 61 . . . 7116 1 775 . 1 1 61 61 SER CA C 13 58.08 0.05 . 1 . . . . 61 . . . 7116 1 776 . 1 1 61 61 SER CB C 13 65.88 0.05 . 1 . . . . 61 . . . 7116 1 777 . 1 1 61 61 SER N N 15 112.68 0.05 . 1 . . . . 61 . . . 7116 1 778 . 1 1 62 62 VAL H H 1 9.19 0.02 . 1 . . . . 62 . . . 7116 1 779 . 1 1 62 62 VAL HA H 1 4.59 0.02 . 1 . . . . 62 . . . 7116 1 780 . 1 1 62 62 VAL HB H 1 1.95 0.02 . 1 . . . . 62 . . . 7116 1 781 . 1 1 62 62 VAL HG11 H 1 0.91 0.02 . 1 . . . . 62 . . . 7116 1 782 . 1 1 62 62 VAL HG12 H 1 0.91 0.02 . 1 . . . . 62 . . . 7116 1 783 . 1 1 62 62 VAL HG13 H 1 0.91 0.02 . 1 . . . . 62 . . . 7116 1 784 . 1 1 62 62 VAL HG21 H 1 0.95 0.02 . 1 . . . . 62 . . . 7116 1 785 . 1 1 62 62 VAL HG22 H 1 0.95 0.02 . 1 . . . . 62 . . . 7116 1 786 . 1 1 62 62 VAL HG23 H 1 0.95 0.02 . 1 . . . . 62 . . . 7116 1 787 . 1 1 62 62 VAL C C 13 173.42 0.05 . 1 . . . . 62 . . . 7116 1 788 . 1 1 62 62 VAL CA C 13 60.64 0.05 . 1 . . . . 62 . . . 7116 1 789 . 1 1 62 62 VAL CB C 13 36.29 0.05 . 1 . . . . 62 . . . 7116 1 790 . 1 1 62 62 VAL CG1 C 13 21.40 0.05 . 1 . . . . 62 . . . 7116 1 791 . 1 1 62 62 VAL CG2 C 13 22.70 0.05 . 1 . . . . 62 . . . 7116 1 792 . 1 1 62 62 VAL N N 15 119.94 0.05 . 1 . . . . 62 . . . 7116 1 793 . 1 1 63 63 ILE H H 1 8.31 0.02 . 1 . . . . 63 . . . 7116 1 794 . 1 1 63 63 ILE HA H 1 4.38 0.02 . 1 . . . . 63 . . . 7116 1 795 . 1 1 63 63 ILE HB H 1 1.80 0.02 . 1 . . . . 63 . . . 7116 1 796 . 1 1 63 63 ILE HG12 H 1 1.58 0.02 . 2 . . . . 63 . . . 7116 1 797 . 1 1 63 63 ILE HG13 H 1 1.24 0.02 . 2 . . . . 63 . . . 7116 1 798 . 1 1 63 63 ILE HG21 H 1 0.83 0.02 . 1 . . . . 63 . . . 7116 1 799 . 1 1 63 63 ILE HG22 H 1 0.83 0.02 . 1 . . . . 63 . . . 7116 1 800 . 1 1 63 63 ILE HG23 H 1 0.83 0.02 . 1 . . . . 63 . . . 7116 1 801 . 1 1 63 63 ILE HD11 H 1 0.84 0.02 . 1 . . . . 63 . . . 7116 1 802 . 1 1 63 63 ILE HD12 H 1 0.84 0.02 . 1 . . . . 63 . . . 7116 1 803 . 1 1 63 63 ILE HD13 H 1 0.84 0.02 . 1 . . . . 63 . . . 7116 1 804 . 1 1 63 63 ILE C C 13 176.03 0.05 . 1 . . . . 63 . . . 7116 1 805 . 1 1 63 63 ILE CA C 13 59.18 0.05 . 1 . . . . 63 . . . 7116 1 806 . 1 1 63 63 ILE CB C 13 38.82 0.05 . 1 . . . . 63 . . . 7116 1 807 . 1 1 63 63 ILE CG1 C 13 27.84 0.05 . 1 . . . . 63 . . . 7116 1 808 . 1 1 63 63 ILE CG2 C 13 17.31 0.05 . 1 . . . . 63 . . . 7116 1 809 . 1 1 63 63 ILE CD1 C 13 11.61 0.05 . 1 . . . . 63 . . . 7116 1 810 . 1 1 63 63 ILE N N 15 124.44 0.05 . 1 . . . . 63 . . . 7116 1 811 . 1 1 64 64 ILE H H 1 8.64 0.02 . 1 . . . . 64 . . . 7116 1 812 . 1 1 64 64 ILE HA H 1 3.48 0.02 . 1 . . . . 64 . . . 7116 1 813 . 1 1 64 64 ILE HB H 1 1.49 0.02 . 1 . . . . 64 . . . 7116 1 814 . 1 1 64 64 ILE HG12 H 1 2.02 0.02 . 2 . . . . 64 . . . 7116 1 815 . 1 1 64 64 ILE HG13 H 1 0.86 0.02 . 2 . . . . 64 . . . 7116 1 816 . 1 1 64 64 ILE HG21 H 1 0.63 0.02 . 1 . . . . 64 . . . 7116 1 817 . 1 1 64 64 ILE HG22 H 1 0.63 0.02 . 1 . . . . 64 . . . 7116 1 818 . 1 1 64 64 ILE HG23 H 1 0.63 0.02 . 1 . . . . 64 . . . 7116 1 819 . 1 1 64 64 ILE HD11 H 1 0.78 0.02 . 1 . . . . 64 . . . 7116 1 820 . 1 1 64 64 ILE HD12 H 1 0.78 0.02 . 1 . . . . 64 . . . 7116 1 821 . 1 1 64 64 ILE HD13 H 1 0.78 0.02 . 1 . . . . 64 . . . 7116 1 822 . 1 1 64 64 ILE CA C 13 59.03 0.05 . 1 . . . . 64 . . . 7116 1 823 . 1 1 64 64 ILE CB C 13 39.63 0.05 . 1 . . . . 64 . . . 7116 1 824 . 1 1 64 64 ILE CG1 C 13 27.37 0.05 . 1 . . . . 64 . . . 7116 1 825 . 1 1 64 64 ILE CG2 C 13 17.75 0.05 . 1 . . . . 64 . . . 7116 1 826 . 1 1 64 64 ILE CD1 C 13 14.94 0.05 . 1 . . . . 64 . . . 7116 1 827 . 1 1 64 64 ILE N N 15 128.34 0.05 . 1 . . . . 64 . . . 7116 1 828 . 1 1 65 65 PRO HA H 1 4.29 0.02 . 1 . . . . 65 . . . 7116 1 829 . 1 1 65 65 PRO HB2 H 1 2.14 0.02 . 2 . . . . 65 . . . 7116 1 830 . 1 1 65 65 PRO HB3 H 1 1.88 0.02 . 2 . . . . 65 . . . 7116 1 831 . 1 1 65 65 PRO HG2 H 1 1.68 0.02 . 2 . . . . 65 . . . 7116 1 832 . 1 1 65 65 PRO HG3 H 1 1.52 0.02 . 2 . . . . 65 . . . 7116 1 833 . 1 1 65 65 PRO HD2 H 1 3.13 0.02 . 2 . . . . 65 . . . 7116 1 834 . 1 1 65 65 PRO HD3 H 1 2.24 0.02 . 2 . . . . 65 . . . 7116 1 835 . 1 1 65 65 PRO C C 13 177.23 0.05 . 1 . . . . 65 . . . 7116 1 836 . 1 1 65 65 PRO CA C 13 63.21 0.05 . 1 . . . . 65 . . . 7116 1 837 . 1 1 65 65 PRO CB C 13 32.41 0.05 . 1 . . . . 65 . . . 7116 1 838 . 1 1 65 65 PRO CG C 13 27.75 0.05 . 1 . . . . 65 . . . 7116 1 839 . 1 1 65 65 PRO CD C 13 50.31 0.05 . 1 . . . . 65 . . . 7116 1 840 . 1 1 66 66 LYS H H 1 8.82 0.02 . 1 . . . . 66 . . . 7116 1 841 . 1 1 66 66 LYS HA H 1 3.63 0.02 . 1 . . . . 66 . . . 7116 1 842 . 1 1 66 66 LYS HB2 H 1 1.88 0.02 . 1 . . . . 66 . . . 7116 1 843 . 1 1 66 66 LYS HB3 H 1 1.88 0.02 . 1 . . . . 66 . . . 7116 1 844 . 1 1 66 66 LYS HG2 H 1 1.43 0.02 . 1 . . . . 66 . . . 7116 1 845 . 1 1 66 66 LYS HG3 H 1 1.43 0.02 . 1 . . . . 66 . . . 7116 1 846 . 1 1 66 66 LYS HD2 H 1 1.76 0.02 . 1 . . . . 66 . . . 7116 1 847 . 1 1 66 66 LYS HD3 H 1 1.76 0.02 . 1 . . . . 66 . . . 7116 1 848 . 1 1 66 66 LYS HE2 H 1 3.03 0.02 . 1 . . . . 66 . . . 7116 1 849 . 1 1 66 66 LYS HE3 H 1 3.03 0.02 . 1 . . . . 66 . . . 7116 1 850 . 1 1 66 66 LYS C C 13 176.94 0.05 . 1 . . . . 66 . . . 7116 1 851 . 1 1 66 66 LYS CA C 13 60.54 0.05 . 1 . . . . 66 . . . 7116 1 852 . 1 1 66 66 LYS CB C 13 32.76 0.05 . 1 . . . . 66 . . . 7116 1 853 . 1 1 66 66 LYS CG C 13 24.68 0.05 . 1 . . . . 66 . . . 7116 1 854 . 1 1 66 66 LYS CD C 13 29.29 0.05 . 1 . . . . 66 . . . 7116 1 855 . 1 1 66 66 LYS CE C 13 42.48 0.05 . 1 . . . . 66 . . . 7116 1 856 . 1 1 66 66 LYS N N 15 126.85 0.05 . 1 . . . . 66 . . . 7116 1 857 . 1 1 67 67 ALA H H 1 8.92 0.02 . 1 . . . . 67 . . . 7116 1 858 . 1 1 67 67 ALA HA H 1 4.17 0.02 . 1 . . . . 67 . . . 7116 1 859 . 1 1 67 67 ALA HB1 H 1 1.48 0.02 . 1 . . . . 67 . . . 7116 1 860 . 1 1 67 67 ALA HB2 H 1 1.48 0.02 . 1 . . . . 67 . . . 7116 1 861 . 1 1 67 67 ALA HB3 H 1 1.48 0.02 . 1 . . . . 67 . . . 7116 1 862 . 1 1 67 67 ALA C C 13 179.89 0.05 . 1 . . . . 67 . . . 7116 1 863 . 1 1 67 67 ALA CA C 13 55.45 0.05 . 1 . . . . 67 . . . 7116 1 864 . 1 1 67 67 ALA CB C 13 18.25 0.05 . 1 . . . . 67 . . . 7116 1 865 . 1 1 67 67 ALA N N 15 118.44 0.05 . 1 . . . . 67 . . . 7116 1 866 . 1 1 68 68 LEU H H 1 6.85 0.02 . 1 . . . . 68 . . . 7116 1 867 . 1 1 68 68 LEU HA H 1 4.35 0.02 . 1 . . . . 68 . . . 7116 1 868 . 1 1 68 68 LEU HB2 H 1 1.64 0.02 . 2 . . . . 68 . . . 7116 1 869 . 1 1 68 68 LEU HB3 H 1 1.46 0.02 . 2 . . . . 68 . . . 7116 1 870 . 1 1 68 68 LEU HG H 1 1.57 0.02 . 1 . . . . 68 . . . 7116 1 871 . 1 1 68 68 LEU HD11 H 1 0.88 0.02 . 1 . . . . 68 . . . 7116 1 872 . 1 1 68 68 LEU HD12 H 1 0.88 0.02 . 1 . . . . 68 . . . 7116 1 873 . 1 1 68 68 LEU HD13 H 1 0.88 0.02 . 1 . . . . 68 . . . 7116 1 874 . 1 1 68 68 LEU HD21 H 1 0.98 0.02 . 1 . . . . 68 . . . 7116 1 875 . 1 1 68 68 LEU HD22 H 1 0.98 0.02 . 1 . . . . 68 . . . 7116 1 876 . 1 1 68 68 LEU HD23 H 1 0.98 0.02 . 1 . . . . 68 . . . 7116 1 877 . 1 1 68 68 LEU C C 13 178.55 0.05 . 1 . . . . 68 . . . 7116 1 878 . 1 1 68 68 LEU CA C 13 56.70 0.05 . 1 . . . . 68 . . . 7116 1 879 . 1 1 68 68 LEU CB C 13 42.24 0.05 . 1 . . . . 68 . . . 7116 1 880 . 1 1 68 68 LEU CG C 13 27.55 0.05 . 1 . . . . 68 . . . 7116 1 881 . 1 1 68 68 LEU CD1 C 13 25.54 0.05 . 1 . . . . 68 . . . 7116 1 882 . 1 1 68 68 LEU CD2 C 13 24.48 0.05 . 1 . . . . 68 . . . 7116 1 883 . 1 1 68 68 LEU N N 15 115.99 0.05 . 1 . . . . 68 . . . 7116 1 884 . 1 1 69 69 ARG H H 1 8.06 0.02 . 1 . . . . 69 . . . 7116 1 885 . 1 1 69 69 ARG HA H 1 3.68 0.02 . 1 . . . . 69 . . . 7116 1 886 . 1 1 69 69 ARG HB2 H 1 2.10 0.02 . 2 . . . . 69 . . . 7116 1 887 . 1 1 69 69 ARG HB3 H 1 1.90 0.02 . 2 . . . . 69 . . . 7116 1 888 . 1 1 69 69 ARG HG2 H 1 1.70 0.02 . 2 . . . . 69 . . . 7116 1 889 . 1 1 69 69 ARG HG3 H 1 1.20 0.02 . 2 . . . . 69 . . . 7116 1 890 . 1 1 69 69 ARG HD2 H 1 3.20 0.02 . 1 . . . . 69 . . . 7116 1 891 . 1 1 69 69 ARG HD3 H 1 3.20 0.02 . 1 . . . . 69 . . . 7116 1 892 . 1 1 69 69 ARG C C 13 178.67 0.05 . 1 . . . . 69 . . . 7116 1 893 . 1 1 69 69 ARG CA C 13 60.73 0.05 . 1 . . . . 69 . . . 7116 1 894 . 1 1 69 69 ARG CB C 13 30.14 0.05 . 1 . . . . 69 . . . 7116 1 895 . 1 1 69 69 ARG CG C 13 29.06 0.05 . 1 . . . . 69 . . . 7116 1 896 . 1 1 69 69 ARG CD C 13 44.17 0.05 . 1 . . . . 69 . . . 7116 1 897 . 1 1 69 69 ARG N N 15 117.78 0.05 . 1 . . . . 69 . . . 7116 1 898 . 1 1 70 70 ASP H H 1 8.36 0.02 . 1 . . . . 70 . . . 7116 1 899 . 1 1 70 70 ASP HA H 1 4.58 0.02 . 1 . . . . 70 . . . 7116 1 900 . 1 1 70 70 ASP HB2 H 1 3.01 0.02 . 1 . . . . 70 . . . 7116 1 901 . 1 1 70 70 ASP HB3 H 1 3.01 0.02 . 1 . . . . 70 . . . 7116 1 902 . 1 1 70 70 ASP C C 13 176.94 0.05 . 1 . . . . 70 . . . 7116 1 903 . 1 1 70 70 ASP CA C 13 55.71 0.05 . 1 . . . . 70 . . . 7116 1 904 . 1 1 70 70 ASP CB C 13 38.16 0.05 . 1 . . . . 70 . . . 7116 1 905 . 1 1 70 70 ASP N N 15 116.20 0.05 . 1 . . . . 70 . . . 7116 1 906 . 1 1 71 71 VAL H H 1 7.71 0.02 . 1 . . . . 71 . . . 7116 1 907 . 1 1 71 71 VAL HA H 1 4.01 0.02 . 1 . . . . 71 . . . 7116 1 908 . 1 1 71 71 VAL HB H 1 2.20 0.02 . 1 . . . . 71 . . . 7116 1 909 . 1 1 71 71 VAL HG11 H 1 1.11 0.02 . 1 . . . . 71 . . . 7116 1 910 . 1 1 71 71 VAL HG12 H 1 1.11 0.02 . 1 . . . . 71 . . . 7116 1 911 . 1 1 71 71 VAL HG13 H 1 1.11 0.02 . 1 . . . . 71 . . . 7116 1 912 . 1 1 71 71 VAL HG21 H 1 1.22 0.02 . 1 . . . . 71 . . . 7116 1 913 . 1 1 71 71 VAL HG22 H 1 1.22 0.02 . 1 . . . . 71 . . . 7116 1 914 . 1 1 71 71 VAL HG23 H 1 1.22 0.02 . 1 . . . . 71 . . . 7116 1 915 . 1 1 71 71 VAL C C 13 177.42 0.05 . 1 . . . . 71 . . . 7116 1 916 . 1 1 71 71 VAL CA C 13 65.79 0.05 . 1 . . . . 71 . . . 7116 1 917 . 1 1 71 71 VAL CB C 13 32.60 0.05 . 1 . . . . 71 . . . 7116 1 918 . 1 1 71 71 VAL CG1 C 13 21.29 0.05 . 1 . . . . 71 . . . 7116 1 919 . 1 1 71 71 VAL CG2 C 13 22.59 0.05 . 1 . . . . 71 . . . 7116 1 920 . 1 1 71 71 VAL N N 15 119.67 0.05 . 1 . . . . 71 . . . 7116 1 921 . 1 1 72 72 ILE H H 1 7.99 0.02 . 1 . . . . 72 . . . 7116 1 922 . 1 1 72 72 ILE HA H 1 4.00 0.02 . 1 . . . . 72 . . . 7116 1 923 . 1 1 72 72 ILE HB H 1 1.78 0.02 . 1 . . . . 72 . . . 7116 1 924 . 1 1 72 72 ILE HG12 H 1 1.59 0.02 . 2 . . . . 72 . . . 7116 1 925 . 1 1 72 72 ILE HG13 H 1 1.12 0.02 . 2 . . . . 72 . . . 7116 1 926 . 1 1 72 72 ILE HG21 H 1 0.85 0.02 . 1 . . . . 72 . . . 7116 1 927 . 1 1 72 72 ILE HG22 H 1 0.85 0.02 . 1 . . . . 72 . . . 7116 1 928 . 1 1 72 72 ILE HG23 H 1 0.85 0.02 . 1 . . . . 72 . . . 7116 1 929 . 1 1 72 72 ILE HD11 H 1 0.66 0.02 . 1 . . . . 72 . . . 7116 1 930 . 1 1 72 72 ILE HD12 H 1 0.66 0.02 . 1 . . . . 72 . . . 7116 1 931 . 1 1 72 72 ILE HD13 H 1 0.66 0.02 . 1 . . . . 72 . . . 7116 1 932 . 1 1 72 72 ILE C C 13 175.09 0.05 . 1 . . . . 72 . . . 7116 1 933 . 1 1 72 72 ILE CA C 13 62.74 0.05 . 1 . . . . 72 . . . 7116 1 934 . 1 1 72 72 ILE CB C 13 38.25 0.05 . 1 . . . . 72 . . . 7116 1 935 . 1 1 72 72 ILE CG1 C 13 28.65 0.05 . 1 . . . . 72 . . . 7116 1 936 . 1 1 72 72 ILE CG2 C 13 18.56 0.05 . 1 . . . . 72 . . . 7116 1 937 . 1 1 72 72 ILE CD1 C 13 13.26 0.05 . 1 . . . . 72 . . . 7116 1 938 . 1 1 72 72 ILE N N 15 116.55 0.05 . 1 . . . . 72 . . . 7116 1 939 . 1 1 73 73 GLY H H 1 7.59 0.02 . 1 . . . . 73 . . . 7116 1 940 . 1 1 73 73 GLY HA2 H 1 4.03 0.02 . 2 . . . . 73 . . . 7116 1 941 . 1 1 73 73 GLY HA3 H 1 3.90 0.02 . 2 . . . . 73 . . . 7116 1 942 . 1 1 73 73 GLY C C 13 174.85 0.05 . 1 . . . . 73 . . . 7116 1 943 . 1 1 73 73 GLY CA C 13 46.85 0.05 . 1 . . . . 73 . . . 7116 1 944 . 1 1 73 73 GLY N N 15 109.28 0.05 . 1 . . . . 73 . . . 7116 1 945 . 1 1 74 74 ILE H H 1 8.00 0.02 . 1 . . . . 74 . . . 7116 1 946 . 1 1 74 74 ILE HA H 1 4.31 0.02 . 1 . . . . 74 . . . 7116 1 947 . 1 1 74 74 ILE HB H 1 1.61 0.02 . 1 . . . . 74 . . . 7116 1 948 . 1 1 74 74 ILE HG12 H 1 1.47 0.02 . 2 . . . . 74 . . . 7116 1 949 . 1 1 74 74 ILE HG13 H 1 1.24 0.02 . 2 . . . . 74 . . . 7116 1 950 . 1 1 74 74 ILE HG21 H 1 0.84 0.02 . 1 . . . . 74 . . . 7116 1 951 . 1 1 74 74 ILE HG22 H 1 0.84 0.02 . 1 . . . . 74 . . . 7116 1 952 . 1 1 74 74 ILE HG23 H 1 0.84 0.02 . 1 . . . . 74 . . . 7116 1 953 . 1 1 74 74 ILE HD11 H 1 0.78 0.02 . 1 . . . . 74 . . . 7116 1 954 . 1 1 74 74 ILE HD12 H 1 0.78 0.02 . 1 . . . . 74 . . . 7116 1 955 . 1 1 74 74 ILE HD13 H 1 0.78 0.02 . 1 . . . . 74 . . . 7116 1 956 . 1 1 74 74 ILE C C 13 174.62 0.05 . 1 . . . . 74 . . . 7116 1 957 . 1 1 74 74 ILE CA C 13 60.19 0.05 . 1 . . . . 74 . . . 7116 1 958 . 1 1 74 74 ILE CB C 13 39.01 0.05 . 1 . . . . 74 . . . 7116 1 959 . 1 1 74 74 ILE CG1 C 13 27.69 0.05 . 1 . . . . 74 . . . 7116 1 960 . 1 1 74 74 ILE CG2 C 13 18.43 0.05 . 1 . . . . 74 . . . 7116 1 961 . 1 1 74 74 ILE CD1 C 13 13.29 0.05 . 1 . . . . 74 . . . 7116 1 962 . 1 1 74 74 ILE N N 15 119.78 0.05 . 1 . . . . 74 . . . 7116 1 963 . 1 1 75 75 LYS H H 1 7.50 0.02 . 1 . . . . 75 . . . 7116 1 964 . 1 1 75 75 LYS HA H 1 4.21 0.02 . 1 . . . . 75 . . . 7116 1 965 . 1 1 75 75 LYS HB2 H 1 1.91 0.02 . 2 . . . . 75 . . . 7116 1 966 . 1 1 75 75 LYS HB3 H 1 1.57 0.02 . 2 . . . . 75 . . . 7116 1 967 . 1 1 75 75 LYS HG2 H 1 1.44 0.02 . 1 . . . . 75 . . . 7116 1 968 . 1 1 75 75 LYS HG3 H 1 1.44 0.02 . 1 . . . . 75 . . . 7116 1 969 . 1 1 75 75 LYS HD2 H 1 1.70 0.02 . 1 . . . . 75 . . . 7116 1 970 . 1 1 75 75 LYS HD3 H 1 1.70 0.02 . 1 . . . . 75 . . . 7116 1 971 . 1 1 75 75 LYS HE2 H 1 3.04 0.02 . 1 . . . . 75 . . . 7116 1 972 . 1 1 75 75 LYS HE3 H 1 3.04 0.02 . 1 . . . . 75 . . . 7116 1 973 . 1 1 75 75 LYS CA C 13 53.13 0.05 . 1 . . . . 75 . . . 7116 1 974 . 1 1 75 75 LYS CB C 13 34.06 0.05 . 1 . . . . 75 . . . 7116 1 975 . 1 1 75 75 LYS CG C 13 24.59 0.05 . 1 . . . . 75 . . . 7116 1 976 . 1 1 75 75 LYS CD C 13 29.32 0.05 . 1 . . . . 75 . . . 7116 1 977 . 1 1 75 75 LYS CE C 13 42.35 0.05 . 1 . . . . 75 . . . 7116 1 978 . 1 1 75 75 LYS N N 15 126.78 0.05 . 1 . . . . 75 . . . 7116 1 979 . 1 1 76 76 PRO HA H 1 4.02 0.02 . 1 . . . . 76 . . . 7116 1 980 . 1 1 76 76 PRO HB2 H 1 2.14 0.02 . 2 . . . . 76 . . . 7116 1 981 . 1 1 76 76 PRO HB3 H 1 1.97 0.02 . 2 . . . . 76 . . . 7116 1 982 . 1 1 76 76 PRO HG2 H 1 2.29 0.02 . 2 . . . . 76 . . . 7116 1 983 . 1 1 76 76 PRO HG3 H 1 1.97 0.02 . 2 . . . . 76 . . . 7116 1 984 . 1 1 76 76 PRO HD2 H 1 3.91 0.02 . 2 . . . . 76 . . . 7116 1 985 . 1 1 76 76 PRO HD3 H 1 3.67 0.02 . 2 . . . . 76 . . . 7116 1 986 . 1 1 76 76 PRO C C 13 176.91 0.05 . 1 . . . . 76 . . . 7116 1 987 . 1 1 76 76 PRO CA C 13 63.63 0.05 . 1 . . . . 76 . . . 7116 1 988 . 1 1 76 76 PRO CB C 13 31.86 0.05 . 1 . . . . 76 . . . 7116 1 989 . 1 1 76 76 PRO CG C 13 28.50 0.05 . 1 . . . . 76 . . . 7116 1 990 . 1 1 76 76 PRO CD C 13 50.78 0.05 . 1 . . . . 76 . . . 7116 1 991 . 1 1 77 77 GLY H H 1 9.27 0.02 . 1 . . . . 77 . . . 7116 1 992 . 1 1 77 77 GLY HA2 H 1 4.44 0.02 . 2 . . . . 77 . . . 7116 1 993 . 1 1 77 77 GLY HA3 H 1 3.54 0.02 . 2 . . . . 77 . . . 7116 1 994 . 1 1 77 77 GLY C C 13 173.71 0.05 . 1 . . . . 77 . . . 7116 1 995 . 1 1 77 77 GLY CA C 13 45.01 0.05 . 1 . . . . 77 . . . 7116 1 996 . 1 1 77 77 GLY N N 15 112.23 0.05 . 1 . . . . 77 . . . 7116 1 997 . 1 1 78 78 GLU H H 1 7.51 0.02 . 1 . . . . 78 . . . 7116 1 998 . 1 1 78 78 GLU HA H 1 4.45 0.02 . 1 . . . . 78 . . . 7116 1 999 . 1 1 78 78 GLU HB2 H 1 2.25 0.02 . 2 . . . . 78 . . . 7116 1 1000 . 1 1 78 78 GLU HB3 H 1 2.10 0.02 . 2 . . . . 78 . . . 7116 1 1001 . 1 1 78 78 GLU HG2 H 1 2.64 0.02 . 2 . . . . 78 . . . 7116 1 1002 . 1 1 78 78 GLU HG3 H 1 2.57 0.02 . 2 . . . . 78 . . . 7116 1 1003 . 1 1 78 78 GLU C C 13 174.45 0.05 . 1 . . . . 78 . . . 7116 1 1004 . 1 1 78 78 GLU CA C 13 55.84 0.05 . 1 . . . . 78 . . . 7116 1 1005 . 1 1 78 78 GLU CB C 13 30.16 0.05 . 1 . . . . 78 . . . 7116 1 1006 . 1 1 78 78 GLU CG C 13 34.21 0.05 . 1 . . . . 78 . . . 7116 1 1007 . 1 1 78 78 GLU N N 15 119.57 0.05 . 1 . . . . 78 . . . 7116 1 1008 . 1 1 79 79 VAL H H 1 8.56 0.02 . 1 . . . . 79 . . . 7116 1 1009 . 1 1 79 79 VAL HA H 1 4.73 0.02 . 1 . . . . 79 . . . 7116 1 1010 . 1 1 79 79 VAL HB H 1 2.06 0.02 . 1 . . . . 79 . . . 7116 1 1011 . 1 1 79 79 VAL HG11 H 1 1.09 0.02 . 1 . . . . 79 . . . 7116 1 1012 . 1 1 79 79 VAL HG12 H 1 1.09 0.02 . 1 . . . . 79 . . . 7116 1 1013 . 1 1 79 79 VAL HG13 H 1 1.09 0.02 . 1 . . . . 79 . . . 7116 1 1014 . 1 1 79 79 VAL HG21 H 1 1.01 0.02 . 1 . . . . 79 . . . 7116 1 1015 . 1 1 79 79 VAL HG22 H 1 1.01 0.02 . 1 . . . . 79 . . . 7116 1 1016 . 1 1 79 79 VAL HG23 H 1 1.01 0.02 . 1 . . . . 79 . . . 7116 1 1017 . 1 1 79 79 VAL C C 13 176.35 0.05 . 1 . . . . 79 . . . 7116 1 1018 . 1 1 79 79 VAL CA C 13 62.27 0.05 . 1 . . . . 79 . . . 7116 1 1019 . 1 1 79 79 VAL CB C 13 32.28 0.05 . 1 . . . . 79 . . . 7116 1 1020 . 1 1 79 79 VAL CG1 C 13 21.72 0.05 . 1 . . . . 79 . . . 7116 1 1021 . 1 1 79 79 VAL CG2 C 13 21.52 0.05 . 1 . . . . 79 . . . 7116 1 1022 . 1 1 79 79 VAL N N 15 123.67 0.05 . 1 . . . . 79 . . . 7116 1 1023 . 1 1 80 80 ILE H H 1 8.93 0.02 . 1 . . . . 80 . . . 7116 1 1024 . 1 1 80 80 ILE HA H 1 5.05 0.02 . 1 . . . . 80 . . . 7116 1 1025 . 1 1 80 80 ILE HB H 1 1.87 0.02 . 1 . . . . 80 . . . 7116 1 1026 . 1 1 80 80 ILE HG12 H 1 1.34 0.02 . 2 . . . . 80 . . . 7116 1 1027 . 1 1 80 80 ILE HG13 H 1 1.09 0.02 . 2 . . . . 80 . . . 7116 1 1028 . 1 1 80 80 ILE HG21 H 1 0.85 0.02 . 1 . . . . 80 . . . 7116 1 1029 . 1 1 80 80 ILE HG22 H 1 0.85 0.02 . 1 . . . . 80 . . . 7116 1 1030 . 1 1 80 80 ILE HG23 H 1 0.85 0.02 . 1 . . . . 80 . . . 7116 1 1031 . 1 1 80 80 ILE HD11 H 1 0.73 0.02 . 1 . . . . 80 . . . 7116 1 1032 . 1 1 80 80 ILE HD12 H 1 0.73 0.02 . 1 . . . . 80 . . . 7116 1 1033 . 1 1 80 80 ILE HD13 H 1 0.73 0.02 . 1 . . . . 80 . . . 7116 1 1034 . 1 1 80 80 ILE C C 13 173.47 0.05 . 1 . . . . 80 . . . 7116 1 1035 . 1 1 80 80 ILE CA C 13 59.28 0.05 . 1 . . . . 80 . . . 7116 1 1036 . 1 1 80 80 ILE CB C 13 42.41 0.05 . 1 . . . . 80 . . . 7116 1 1037 . 1 1 80 80 ILE CG1 C 13 25.61 0.05 . 1 . . . . 80 . . . 7116 1 1038 . 1 1 80 80 ILE CG2 C 13 18.23 0.05 . 1 . . . . 80 . . . 7116 1 1039 . 1 1 80 80 ILE CD1 C 13 14.99 0.05 . 1 . . . . 80 . . . 7116 1 1040 . 1 1 80 80 ILE N N 15 120.69 0.05 . 1 . . . . 80 . . . 7116 1 1041 . 1 1 81 81 GLU H H 1 8.34 0.02 . 1 . . . . 81 . . . 7116 1 1042 . 1 1 81 81 GLU HA H 1 4.52 0.02 . 1 . . . . 81 . . . 7116 1 1043 . 1 1 81 81 GLU HB2 H 1 1.92 0.02 . 2 . . . . 81 . . . 7116 1 1044 . 1 1 81 81 GLU HB3 H 1 1.86 0.02 . 2 . . . . 81 . . . 7116 1 1045 . 1 1 81 81 GLU HG2 H 1 2.09 0.02 . 2 . . . . 81 . . . 7116 1 1046 . 1 1 81 81 GLU HG3 H 1 1.79 0.02 . 2 . . . . 81 . . . 7116 1 1047 . 1 1 81 81 GLU C C 13 173.16 0.05 . 1 . . . . 81 . . . 7116 1 1048 . 1 1 81 81 GLU CA C 13 54.90 0.05 . 1 . . . . 81 . . . 7116 1 1049 . 1 1 81 81 GLU CB C 13 30.38 0.05 . 1 . . . . 81 . . . 7116 1 1050 . 1 1 81 81 GLU CG C 13 33.22 0.05 . 1 . . . . 81 . . . 7116 1 1051 . 1 1 81 81 GLU N N 15 121.39 0.05 . 1 . . . . 81 . . . 7116 1 1052 . 1 1 82 82 VAL H H 1 8.80 0.02 . 1 . . . . 82 . . . 7116 1 1053 . 1 1 82 82 VAL HA H 1 4.43 0.02 . 1 . . . . 82 . . . 7116 1 1054 . 1 1 82 82 VAL HB H 1 0.52 0.02 . 1 . . . . 82 . . . 7116 1 1055 . 1 1 82 82 VAL HG11 H 1 0.52 0.02 . 1 . . . . 82 . . . 7116 1 1056 . 1 1 82 82 VAL HG12 H 1 0.52 0.02 . 1 . . . . 82 . . . 7116 1 1057 . 1 1 82 82 VAL HG13 H 1 0.52 0.02 . 1 . . . . 82 . . . 7116 1 1058 . 1 1 82 82 VAL HG21 H 1 0.57 0.02 . 1 . . . . 82 . . . 7116 1 1059 . 1 1 82 82 VAL HG22 H 1 0.57 0.02 . 1 . . . . 82 . . . 7116 1 1060 . 1 1 82 82 VAL HG23 H 1 0.57 0.02 . 1 . . . . 82 . . . 7116 1 1061 . 1 1 82 82 VAL C C 13 173.04 0.05 . 1 . . . . 82 . . . 7116 1 1062 . 1 1 82 82 VAL CA C 13 60.95 0.05 . 1 . . . . 82 . . . 7116 1 1063 . 1 1 82 82 VAL CB C 13 32.98 0.05 . 1 . . . . 82 . . . 7116 1 1064 . 1 1 82 82 VAL CG1 C 13 23.19 0.05 . 1 . . . . 82 . . . 7116 1 1065 . 1 1 82 82 VAL CG2 C 13 21.91 0.05 . 1 . . . . 82 . . . 7116 1 1066 . 1 1 82 82 VAL N N 15 125.94 0.05 . 1 . . . . 82 . . . 7116 1 1067 . 1 1 83 83 LEU H H 1 9.25 0.02 . 1 . . . . 83 . . . 7116 1 1068 . 1 1 83 83 LEU HA H 1 5.07 0.02 . 1 . . . . 83 . . . 7116 1 1069 . 1 1 83 83 LEU HB2 H 1 1.81 0.02 . 1 . . . . 83 . . . 7116 1 1070 . 1 1 83 83 LEU HB3 H 1 1.41 0.02 . 1 . . . . 83 . . . 7116 1 1071 . 1 1 83 83 LEU HG H 1 1.58 0.02 . 1 . . . . 83 . . . 7116 1 1072 . 1 1 83 83 LEU HD11 H 1 0.89 0.02 . 1 . . . . 83 . . . 7116 1 1073 . 1 1 83 83 LEU HD12 H 1 0.89 0.02 . 1 . . . . 83 . . . 7116 1 1074 . 1 1 83 83 LEU HD13 H 1 0.89 0.02 . 1 . . . . 83 . . . 7116 1 1075 . 1 1 83 83 LEU HD21 H 1 0.82 0.02 . 1 . . . . 83 . . . 7116 1 1076 . 1 1 83 83 LEU HD22 H 1 0.82 0.02 . 1 . . . . 83 . . . 7116 1 1077 . 1 1 83 83 LEU HD23 H 1 0.82 0.02 . 1 . . . . 83 . . . 7116 1 1078 . 1 1 83 83 LEU C C 13 175.30 0.05 . 1 . . . . 83 . . . 7116 1 1079 . 1 1 83 83 LEU CA C 13 53.68 0.05 . 1 . . . . 83 . . . 7116 1 1080 . 1 1 83 83 LEU CB C 13 43.19 0.05 . 1 . . . . 83 . . . 7116 1 1081 . 1 1 83 83 LEU CG C 13 28.74 0.05 . 1 . . . . 83 . . . 7116 1 1082 . 1 1 83 83 LEU CD1 C 13 25.81 0.05 . 1 . . . . 83 . . . 7116 1 1083 . 1 1 83 83 LEU CD2 C 13 25.33 0.05 . 1 . . . . 83 . . . 7116 1 1084 . 1 1 83 83 LEU N N 15 124.57 0.05 . 1 . . . . 83 . . . 7116 1 1085 . 1 1 84 84 LEU H H 1 8.95 0.02 . 1 . . . . 84 . . . 7116 1 1086 . 1 1 84 84 LEU HA H 1 4.73 0.02 . 1 . . . . 84 . . . 7116 1 1087 . 1 1 84 84 LEU HB2 H 1 2.03 0.02 . 1 . . . . 84 . . . 7116 1 1088 . 1 1 84 84 LEU HB3 H 1 1.16 0.02 . 1 . . . . 84 . . . 7116 1 1089 . 1 1 84 84 LEU HG H 1 1.47 0.02 . 1 . . . . 84 . . . 7116 1 1090 . 1 1 84 84 LEU HD11 H 1 0.60 0.02 . 1 . . . . 84 . . . 7116 1 1091 . 1 1 84 84 LEU HD12 H 1 0.60 0.02 . 1 . . . . 84 . . . 7116 1 1092 . 1 1 84 84 LEU HD13 H 1 0.60 0.02 . 1 . . . . 84 . . . 7116 1 1093 . 1 1 84 84 LEU HD21 H 1 0.99 0.02 . 1 . . . . 84 . . . 7116 1 1094 . 1 1 84 84 LEU HD22 H 1 0.99 0.02 . 1 . . . . 84 . . . 7116 1 1095 . 1 1 84 84 LEU HD23 H 1 0.99 0.02 . 1 . . . . 84 . . . 7116 1 1096 . 1 1 84 84 LEU C C 13 174.31 0.05 . 1 . . . . 84 . . . 7116 1 1097 . 1 1 84 84 LEU CA C 13 54.41 0.05 . 1 . . . . 84 . . . 7116 1 1098 . 1 1 84 84 LEU CB C 13 43.88 0.05 . 1 . . . . 84 . . . 7116 1 1099 . 1 1 84 84 LEU CG C 13 27.69 0.05 . 1 . . . . 84 . . . 7116 1 1100 . 1 1 84 84 LEU CD1 C 13 26.55 0.05 . 1 . . . . 84 . . . 7116 1 1101 . 1 1 84 84 LEU CD2 C 13 24.41 0.05 . 1 . . . . 84 . . . 7116 1 1102 . 1 1 84 84 LEU N N 15 124.32 0.05 . 1 . . . . 84 . . . 7116 1 1103 . 1 1 85 85 LEU H H 1 8.98 0.02 . 1 . . . . 85 . . . 7116 1 1104 . 1 1 85 85 LEU HA H 1 4.73 0.02 . 1 . . . . 85 . . . 7116 1 1105 . 1 1 85 85 LEU HB2 H 1 1.66 0.02 . 2 . . . . 85 . . . 7116 1 1106 . 1 1 85 85 LEU HB3 H 1 1.37 0.02 . 2 . . . . 85 . . . 7116 1 1107 . 1 1 85 85 LEU HG H 1 1.66 0.02 . 1 . . . . 85 . . . 7116 1 1108 . 1 1 85 85 LEU HD11 H 1 0.82 0.02 . 2 . . . . 85 . . . 7116 1 1109 . 1 1 85 85 LEU HD12 H 1 0.82 0.02 . 2 . . . . 85 . . . 7116 1 1110 . 1 1 85 85 LEU HD13 H 1 0.82 0.02 . 2 . . . . 85 . . . 7116 1 1111 . 1 1 85 85 LEU HD21 H 1 0.85 0.02 . 2 . . . . 85 . . . 7116 1 1112 . 1 1 85 85 LEU HD22 H 1 0.85 0.02 . 2 . . . . 85 . . . 7116 1 1113 . 1 1 85 85 LEU HD23 H 1 0.85 0.02 . 2 . . . . 85 . . . 7116 1 1114 . 1 1 85 85 LEU C C 13 176.49 0.05 . 1 . . . . 85 . . . 7116 1 1115 . 1 1 85 85 LEU CA C 13 54.99 0.05 . 1 . . . . 85 . . . 7116 1 1116 . 1 1 85 85 LEU CB C 13 43.37 0.05 . 1 . . . . 85 . . . 7116 1 1117 . 1 1 85 85 LEU CG C 13 27.03 0.05 . 1 . . . . 85 . . . 7116 1 1118 . 1 1 85 85 LEU CD1 C 13 23.67 0.05 . 2 . . . . 85 . . . 7116 1 1119 . 1 1 85 85 LEU CD2 C 13 26.39 0.05 . 2 . . . . 85 . . . 7116 1 1120 . 1 1 85 85 LEU N N 15 126.55 0.05 . 1 . . . . 85 . . . 7116 1 1121 . 1 1 86 86 GLY H H 1 7.59 0.02 . 1 . . . . 86 . . . 7116 1 1122 . 1 1 86 86 GLY HA2 H 1 4.28 0.02 . 2 . . . . 86 . . . 7116 1 1123 . 1 1 86 86 GLY HA3 H 1 4.06 0.02 . 2 . . . . 86 . . . 7116 1 1124 . 1 1 86 86 GLY C C 13 171.29 0.05 . 1 . . . . 86 . . . 7116 1 1125 . 1 1 86 86 GLY CA C 13 45.51 0.05 . 1 . . . . 86 . . . 7116 1 1126 . 1 1 86 86 GLY N N 15 103.38 0.05 . 1 . . . . 86 . . . 7116 1 1127 . 1 1 87 87 HIS H H 1 8.73 0.02 . 1 . . . . 87 . . . 7116 1 1128 . 1 1 87 87 HIS HA H 1 5.56 0.02 . 1 . . . . 87 . . . 7116 1 1129 . 1 1 87 87 HIS HB2 H 1 2.99 0.02 . 1 . . . . 87 . . . 7116 1 1130 . 1 1 87 87 HIS HB3 H 1 2.99 0.02 . 1 . . . . 87 . . . 7116 1 1131 . 1 1 87 87 HIS HD1 H 1 8.90 0.02 . 1 . . . . 87 . . . 7116 1 1132 . 1 1 87 87 HIS HD2 H 1 7.12 0.02 . 1 . . . . 87 . . . 7116 1 1133 . 1 1 87 87 HIS HE1 H 1 8.65 0.02 . 1 . . . . 87 . . . 7116 1 1134 . 1 1 87 87 HIS C C 13 170.99 0.05 . 1 . . . . 87 . . . 7116 1 1135 . 1 1 87 87 HIS CA C 13 54.01 0.05 . 1 . . . . 87 . . . 7116 1 1136 . 1 1 87 87 HIS CB C 13 30.65 0.05 . 1 . . . . 87 . . . 7116 1 1137 . 1 1 87 87 HIS CD2 C 13 118.78 0.05 . 1 . . . . 87 . . . 7116 1 1138 . 1 1 87 87 HIS CE1 C 13 137.94 0.05 . 1 . . . . 87 . . . 7116 1 1139 . 1 1 87 87 HIS N N 15 119.10 0.05 . 1 . . . . 87 . . . 7116 1 1140 . 1 1 88 88 TYR H H 1 8.87 0.02 . 1 . . . . 88 . . . 7116 1 1141 . 1 1 88 88 TYR HA H 1 4.79 0.02 . 1 . . . . 88 . . . 7116 1 1142 . 1 1 88 88 TYR HB2 H 1 3.23 0.02 . 1 . . . . 88 . . . 7116 1 1143 . 1 1 88 88 TYR HB3 H 1 2.94 0.02 . 1 . . . . 88 . . . 7116 1 1144 . 1 1 88 88 TYR HD1 H 1 6.91 0.02 . 1 . . . . 88 . . . 7116 1 1145 . 1 1 88 88 TYR HD2 H 1 6.91 0.02 . 1 . . . . 88 . . . 7116 1 1146 . 1 1 88 88 TYR HE1 H 1 6.54 0.02 . 1 . . . . 88 . . . 7116 1 1147 . 1 1 88 88 TYR HE2 H 1 6.54 0.02 . 1 . . . . 88 . . . 7116 1 1148 . 1 1 88 88 TYR C C 13 173.37 0.05 . 1 . . . . 88 . . . 7116 1 1149 . 1 1 88 88 TYR CA C 13 56.28 0.05 . 1 . . . . 88 . . . 7116 1 1150 . 1 1 88 88 TYR CB C 13 39.97 0.05 . 1 . . . . 88 . . . 7116 1 1151 . 1 1 88 88 TYR CD1 C 13 133.88 0.05 . 1 . . . . 88 . . . 7116 1 1152 . 1 1 88 88 TYR CD2 C 13 133.88 0.05 . 1 . . . . 88 . . . 7116 1 1153 . 1 1 88 88 TYR CE1 C 13 117.81 0.05 . 1 . . . . 88 . . . 7116 1 1154 . 1 1 88 88 TYR CE2 C 13 117.81 0.05 . 1 . . . . 88 . . . 7116 1 1155 . 1 1 88 88 TYR N N 15 123.79 0.05 . 1 . . . . 88 . . . 7116 1 1156 . 1 1 89 89 LYS H H 1 8.61 0.02 . 1 . . . . 89 . . . 7116 1 1157 . 1 1 89 89 LYS HA H 1 4.46 0.02 . 1 . . . . 89 . . . 7116 1 1158 . 1 1 89 89 LYS HB2 H 1 1.99 0.02 . 2 . . . . 89 . . . 7116 1 1159 . 1 1 89 89 LYS HB3 H 1 1.79 0.02 . 2 . . . . 89 . . . 7116 1 1160 . 1 1 89 89 LYS HG2 H 1 1.59 0.02 . 1 . . . . 89 . . . 7116 1 1161 . 1 1 89 89 LYS HG3 H 1 1.59 0.02 . 1 . . . . 89 . . . 7116 1 1162 . 1 1 89 89 LYS HD2 H 1 1.79 0.02 . 1 . . . . 89 . . . 7116 1 1163 . 1 1 89 89 LYS HD3 H 1 1.79 0.02 . 1 . . . . 89 . . . 7116 1 1164 . 1 1 89 89 LYS HE2 H 1 3.21 0.02 . 2 . . . . 89 . . . 7116 1 1165 . 1 1 89 89 LYS HE3 H 1 3.14 0.02 . 2 . . . . 89 . . . 7116 1 1166 . 1 1 89 89 LYS CA C 13 53.39 0.05 . 1 . . . . 89 . . . 7116 1 1167 . 1 1 89 89 LYS CB C 13 32.16 0.05 . 1 . . . . 89 . . . 7116 1 1168 . 1 1 89 89 LYS CG C 13 24.52 0.05 . 1 . . . . 89 . . . 7116 1 1169 . 1 1 89 89 LYS CD C 13 28.73 0.05 . 1 . . . . 89 . . . 7116 1 1170 . 1 1 89 89 LYS CE C 13 42.32 0.05 . 1 . . . . 89 . . . 7116 1 1171 . 1 1 89 89 LYS N N 15 122.38 0.05 . 1 . . . . 89 . . . 7116 1 1172 . 1 1 90 90 PRO HA H 1 4.68 0.02 . 1 . . . . 90 . . . 7116 1 1173 . 1 1 90 90 PRO HB2 H 1 2.15 0.02 . 1 . . . . 90 . . . 7116 1 1174 . 1 1 90 90 PRO HB3 H 1 2.48 0.02 . 1 . . . . 90 . . . 7116 1 1175 . 1 1 90 90 PRO HG2 H 1 2.18 0.02 . 1 . . . . 90 . . . 7116 1 1176 . 1 1 90 90 PRO HG3 H 1 2.18 0.02 . 1 . . . . 90 . . . 7116 1 1177 . 1 1 90 90 PRO HD2 H 1 4.04 0.02 . 2 . . . . 90 . . . 7116 1 1178 . 1 1 90 90 PRO HD3 H 1 3.84 0.02 . 2 . . . . 90 . . . 7116 1 1179 . 1 1 90 90 PRO C C 13 176.20 0.05 . 1 . . . . 90 . . . 7116 1 1180 . 1 1 90 90 PRO CA C 13 63.31 0.05 . 1 . . . . 90 . . . 7116 1 1181 . 1 1 90 90 PRO CB C 13 32.49 0.05 . 1 . . . . 90 . . . 7116 1 1182 . 1 1 90 90 PRO CG C 13 27.74 0.05 . 1 . . . . 90 . . . 7116 1 1183 . 1 1 90 90 PRO CD C 13 50.94 0.05 . 1 . . . . 90 . . . 7116 1 1184 . 1 1 91 91 ARG H H 1 8.52 0.02 . 1 . . . . 91 . . . 7116 1 1185 . 1 1 91 91 ARG HA H 1 4.42 0.02 . 1 . . . . 91 . . . 7116 1 1186 . 1 1 91 91 ARG HB2 H 1 1.96 0.02 . 2 . . . . 91 . . . 7116 1 1187 . 1 1 91 91 ARG HB3 H 1 1.86 0.02 . 2 . . . . 91 . . . 7116 1 1188 . 1 1 91 91 ARG HG2 H 1 1.76 0.02 . 1 . . . . 91 . . . 7116 1 1189 . 1 1 91 91 ARG HG3 H 1 1.76 0.02 . 1 . . . . 91 . . . 7116 1 1190 . 1 1 91 91 ARG HD2 H 1 3.26 0.02 . 1 . . . . 91 . . . 7116 1 1191 . 1 1 91 91 ARG HD3 H 1 3.26 0.02 . 1 . . . . 91 . . . 7116 1 1192 . 1 1 91 91 ARG HE H 1 7.22 0.02 . 1 . . . . 91 . . . 7116 1 1193 . 1 1 91 91 ARG C C 13 175.63 0.05 . 1 . . . . 91 . . . 7116 1 1194 . 1 1 91 91 ARG CA C 13 56.35 0.05 . 1 . . . . 91 . . . 7116 1 1195 . 1 1 91 91 ARG CB C 13 31.07 0.05 . 1 . . . . 91 . . . 7116 1 1196 . 1 1 91 91 ARG CG C 13 27.22 0.05 . 1 . . . . 91 . . . 7116 1 1197 . 1 1 91 91 ARG CD C 13 43.49 0.05 . 1 . . . . 91 . . . 7116 1 1198 . 1 1 91 91 ARG N N 15 121.26 0.05 . 1 . . . . 91 . . . 7116 1 1199 . 1 1 92 92 ASN H H 1 8.38 0.02 . 1 . . . . 92 . . . 7116 1 1200 . 1 1 92 92 ASN HA H 1 4.60 0.02 . 1 . . . . 92 . . . 7116 1 1201 . 1 1 92 92 ASN HB2 H 1 2.94 0.02 . 1 . . . . 92 . . . 7116 1 1202 . 1 1 92 92 ASN HB3 H 1 2.94 0.02 . 1 . . . . 92 . . . 7116 1 1203 . 1 1 92 92 ASN HD21 H 1 7.64 0.02 . 1 . . . . 92 . . . 7116 1 1204 . 1 1 92 92 ASN HD22 H 1 6.94 0.02 . 1 . . . . 92 . . . 7116 1 1205 . 1 1 92 92 ASN CA C 13 52.80 0.05 . 1 . . . . 92 . . . 7116 1 1206 . 1 1 92 92 ASN CB C 13 39.38 0.05 . 1 . . . . 92 . . . 7116 1 1207 . 1 1 92 92 ASN CG C 13 179.77 0.05 . . . . . . 92 . . . 7116 1 1208 . 1 1 92 92 ASN N N 15 121.08 0.05 . 1 . . . . 92 . . . 7116 1 1209 . 1 1 92 92 ASN ND2 N 15 112.49 0.05 . 1 . . . . 92 . . . 7116 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants_set_1 _Coupling_constant_list.Entry_ID 7116 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_cond_1 _Coupling_constant_list.Spectrometer_frequency_1H . _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 7116 1 . . 2 $sample_2 . 7116 1 . . 3 $sample_3 . 7116 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 7 7 PHE H . . . . 1 1 7 7 PHE HA . . . 7.81 . . 0.5 . . . . . . . . . . . 7116 1 2 3JHNHA . 1 1 8 8 HIS H . . . . 1 1 8 8 HIS HA . . . 10.02 . . 0.5 . . . . . . . . . . . 7116 1 3 3JHNHA . 1 1 9 9 THR H . . . . 1 1 9 9 THR HA . . . 7.74 . . 0.5 . . . . . . . . . . . 7116 1 4 3JHNHA . 1 1 11 11 VAL H . . . . 1 1 11 11 VAL HA . . . 6.78 . . 0.5 . . . . . . . . . . . 7116 1 5 3JHNHA . 1 1 12 12 HIS H . . . . 1 1 12 12 HIS HA . . . 9.40 . . 0.5 . . . . . . . . . . . 7116 1 6 3JHNHA . 1 1 13 13 ARG H . . . . 1 1 13 13 ARG HA . . . 3.52 . . 0.5 . . . . . . . . . . . 7116 1 7 3JHNHA . 1 1 14 14 ILE H . . . . 1 1 14 14 ILE HA . . . 7.69 . . 0.5 . . . . . . . . . . . 7116 1 8 3JHNHA . 1 1 15 15 GLY H . . . . 1 1 15 15 GLY HA2 . . . 6.95 . . 0.5 . . . . . . . . . . . 7116 1 9 3JHNHA . 1 1 15 15 GLY H . . . . 1 1 15 15 GLY HA3 . . . 6.13 . . 0.5 . . . . . . . . . . . 7116 1 10 3JHNHA . 1 1 16 16 ARG H . . . . 1 1 16 16 ARG HA . . . 7.04 . . 0.5 . . . . . . . . . . . 7116 1 11 3JHNHA . 1 1 17 17 ILE H . . . . 1 1 17 17 ILE HA . . . 10.10 . . 0.5 . . . . . . . . . . . 7116 1 12 3JHNHA . 1 1 18 18 ILE H . . . . 1 1 18 18 ILE HA . . . 9.40 . . 0.5 . . . . . . . . . . . 7116 1 13 3JHNHA . 1 1 19 19 ILE H . . . . 1 1 19 19 ILE HA . . . 6.81 . . 0.5 . . . . . . . . . . . 7116 1 14 3JHNHA . 1 1 21 21 ALA H . . . . 1 1 21 21 ALA HA . . . 2.39 . . 0.5 . . . . . . . . . . . 7116 1 15 3JHNHA . 1 1 22 22 GLY H . . . . 1 1 22 22 GLY HA2 . . . 6.78 . . 0.5 . . . . . . . . . . . 7116 1 16 3JHNHA . 1 1 22 22 GLY H . . . . 1 1 22 22 GLY HA3 . . . 6.40 . . 0.5 . . . . . . . . . . . 7116 1 17 3JHNHA . 1 1 23 23 THR H . . . . 1 1 23 23 THR HA . . . 6.18 . . 0.5 . . . . . . . . . . . 7116 1 18 3JHNHA . 1 1 24 24 ARG H . . . . 1 1 24 24 ARG HA . . . 2.71 . . 0.5 . . . . . . . . . . . 7116 1 19 3JHNHA . 1 1 25 25 LYS H . . . . 1 1 25 25 LYS HA . . . 5.01 . . 0.5 . . . . . . . . . . . 7116 1 20 3JHNHA . 1 1 26 26 PHE H . . . . 1 1 26 26 PHE HA . . . 4.25 . . 0.5 . . . . . . . . . . . 7116 1 21 3JHNHA . 1 1 27 27 TYR H . . . . 1 1 27 27 TYR HA . . . 8.59 . . 0.5 . . . . . . . . . . . 7116 1 22 3JHNHA . 1 1 28 28 GLY H . . . . 1 1 28 28 GLY HA2 . . . 6.56 . . 1.0 . . . . . . . . . . . 7116 1 23 3JHNHA . 1 1 28 28 GLY H . . . . 1 1 28 28 GLY HA3 . . . 6.56 . . 1.0 . . . . . . . . . . . 7116 1 24 3JHNHA . 1 1 29 29 ILE H . . . . 1 1 29 29 ILE HA . . . 8.08 . . 0.5 . . . . . . . . . . . 7116 1 25 3JHNHA . 1 1 30 30 GLU H . . . . 1 1 30 30 GLU HA . . . 10.26 . . 0.5 . . . . . . . . . . . 7116 1 26 3JHNHA . 1 1 32 32 GLY H . . . . 1 1 32 32 GLY HA2 . . . 8.44 . . 0.5 . . . . . . . . . . . 7116 1 27 3JHNHA . 1 1 32 32 GLY H . . . . 1 1 32 32 GLY HA3 . . . 4.29 . . 0.5 . . . . . . . . . . . 7116 1 28 3JHNHA . 1 1 33 33 ASP H . . . . 1 1 33 33 ASP HA . . . 5.17 . . 0.5 . . . . . . . . . . . 7116 1 29 3JHNHA . 1 1 34 34 PHE H . . . . 1 1 34 34 PHE HA . . . 9.96 . . 0.5 . . . . . . . . . . . 7116 1 30 3JHNHA . 1 1 35 35 VAL H . . . . 1 1 35 35 VAL HA . . . 9.88 . . 0.5 . . . . . . . . . . . 7116 1 31 3JHNHA . 1 1 36 36 GLU H . . . . 1 1 36 36 GLU HA . . . 10.39 . . 0.5 . . . . . . . . . . . 7116 1 32 3JHNHA . 1 1 37 37 ILE H . . . . 1 1 37 37 ILE HA . . . 10.09 . . 0.5 . . . . . . . . . . . 7116 1 33 3JHNHA . 1 1 38 38 LYS H . . . . 1 1 38 38 LYS HA . . . 8.92 . . 0.5 . . . . . . . . . . . 7116 1 34 3JHNHA . 1 1 39 39 ILE H . . . . 1 1 39 39 ILE HA . . . 10.37 . . 0.5 . . . . . . . . . . . 7116 1 35 3JHNHA . 1 1 40 40 VAL H . . . . 1 1 40 40 VAL HA . . . 6.76 . . 0.5 . . . . . . . . . . . 7116 1 36 3JHNHA . 1 1 42 42 TYR H . . . . 1 1 42 42 TYR HA . . . 8.91 . . 0.5 . . . . . . . . . . . 7116 1 37 3JHNHA . 1 1 43 43 GLU H . . . . 1 1 43 43 GLU HA . . . 9.07 . . 0.5 . . . . . . . . . . . 7116 1 38 3JHNHA . 1 1 44 44 GLY H . . . . 1 1 44 44 GLY HA2 . . . 3.00 . . 0.5 . . . . . . . . . . . 7116 1 39 3JHNHA . 1 1 44 44 GLY H . . . . 1 1 44 44 GLY HA3 . . . 5.31 . . 0.5 . . . . . . . . . . . 7116 1 40 3JHNHA . 1 1 45 45 GLU H . . . . 1 1 45 45 GLU HA . . . 7.30 . . 0.5 . . . . . . . . . . . 7116 1 41 3JHNHA . 1 1 46 46 GLU H . . . . 1 1 46 46 GLU HA . . . 9.66 . . 0.5 . . . . . . . . . . . 7116 1 42 3JHNHA . 1 1 48 48 LYS H . . . . 1 1 48 48 LYS HA . . . 9.80 . . 0.5 . . . . . . . . . . . 7116 1 43 3JHNHA . 1 1 49 49 GLU H . . . . 1 1 49 49 GLU HA . . . 10.49 . . 0.5 . . . . . . . . . . . 7116 1 44 3JHNHA . 1 1 51 51 THR H . . . . 1 1 51 51 THR HA . . . 10.12 . . 0.5 . . . . . . . . . . . 7116 1 45 3JHNHA . 1 1 52 52 PHE H . . . . 1 1 52 52 PHE HA . . . 7.45 . . 0.5 . . . . . . . . . . . 7116 1 46 3JHNHA . 1 1 53 53 THR H . . . . 1 1 53 53 THR HA . . . 10.14 . . 0.5 . . . . . . . . . . . 7116 1 47 3JHNHA . 1 1 54 54 ALA H . . . . 1 1 54 54 ALA HA . . . 8.72 . . 0.5 . . . . . . . . . . . 7116 1 48 3JHNHA . 1 1 55 55 ARG H . . . . 1 1 55 55 ARG HA . . . 8.21 . . 0.5 . . . . . . . . . . . 7116 1 49 3JHNHA . 1 1 56 56 VAL H . . . . 1 1 56 56 VAL HA . . . 6.51 . . 0.5 . . . . . . . . . . . 7116 1 50 3JHNHA . 1 1 57 57 GLY H . . . . 1 1 57 57 GLY HA2 . . . 4.93 . . 0.5 . . . . . . . . . . . 7116 1 51 3JHNHA . 1 1 57 57 GLY H . . . . 1 1 57 57 GLY HA3 . . . 9.69 . . 0.5 . . . . . . . . . . . 7116 1 52 3JHNHA . 1 1 58 58 GLU H . . . . 1 1 58 58 GLU HA . . . 4.37 . . 0.5 . . . . . . . . . . . 7116 1 53 3JHNHA . 1 1 59 59 GLN H . . . . 1 1 59 59 GLN HA . . . 6.84 . . 0.5 . . . . . . . . . . . 7116 1 54 3JHNHA . 1 1 60 60 GLY H . . . . 1 1 60 60 GLY HA2 . . . 6.33 . . 0.5 . . . . . . . . . . . 7116 1 55 3JHNHA . 1 1 60 60 GLY H . . . . 1 1 60 60 GLY HA3 . . . 5.28 . . 0.5 . . . . . . . . . . . 7116 1 56 3JHNHA . 1 1 61 61 SER H . . . . 1 1 61 61 SER HA . . . 6.01 . . 0.5 . . . . . . . . . . . 7116 1 57 3JHNHA . 1 1 62 62 VAL H . . . . 1 1 62 62 VAL HA . . . 9.25 . . 0.5 . . . . . . . . . . . 7116 1 58 3JHNHA . 1 1 63 63 ILE H . . . . 1 1 63 63 ILE HA . . . 9.35 . . 0.5 . . . . . . . . . . . 7116 1 59 3JHNHA . 1 1 64 64 ILE H . . . . 1 1 64 64 ILE HA . . . 6.23 . . 0.5 . . . . . . . . . . . 7116 1 60 3JHNHA . 1 1 66 66 LYS H . . . . 1 1 66 66 LYS HA . . . 1.72 . . 0.5 . . . . . . . . . . . 7116 1 61 3JHNHA . 1 1 67 67 ALA H . . . . 1 1 67 67 ALA HA . . . 3.67 . . 0.5 . . . . . . . . . . . 7116 1 62 3JHNHA . 1 1 68 68 LEU H . . . . 1 1 68 68 LEU HA . . . 8.29 . . 0.5 . . . . . . . . . . . 7116 1 63 3JHNHA . 1 1 69 69 ARG H . . . . 1 1 69 69 ARG HA . . . 4.33 . . 0.5 . . . . . . . . . . . 7116 1 64 3JHNHA . 1 1 70 70 ASP H . . . . 1 1 70 70 ASP HA . . . 5.52 . . 0.5 . . . . . . . . . . . 7116 1 65 3JHNHA . 1 1 71 71 VAL H . . . . 1 1 71 71 VAL HA . . . 5.52 . . 0.5 . . . . . . . . . . . 7116 1 66 3JHNHA . 1 1 72 72 ILE H . . . . 1 1 72 72 ILE HA . . . 8.91 . . 0.5 . . . . . . . . . . . 7116 1 67 3JHNHA . 1 1 73 73 GLY H . . . . 1 1 73 73 GLY HA2 . . . 7.04 . . 0.5 . . . . . . . . . . . 7116 1 68 3JHNHA . 1 1 73 73 GLY H . . . . 1 1 73 73 GLY HA3 . . . 5.73 . . 0.5 . . . . . . . . . . . 7116 1 69 3JHNHA . 1 1 74 74 ILE H . . . . 1 1 74 74 ILE HA . . . 8.16 . . 0.5 . . . . . . . . . . . 7116 1 70 3JHNHA . 1 1 75 75 LYS H . . . . 1 1 75 75 LYS HA . . . 10.38 . . 0.5 . . . . . . . . . . . 7116 1 71 3JHNHA . 1 1 77 77 GLY H . . . . 1 1 77 77 GLY HA2 . . . 8.22 . . 0.5 . . . . . . . . . . . 7116 1 72 3JHNHA . 1 1 77 77 GLY H . . . . 1 1 77 77 GLY HA3 . . . 5.00 . . 0.5 . . . . . . . . . . . 7116 1 73 3JHNHA . 1 1 78 78 GLU H . . . . 1 1 78 78 GLU HA . . . 6.30 . . 0.5 . . . . . . . . . . . 7116 1 74 3JHNHA . 1 1 79 79 VAL H . . . . 1 1 79 79 VAL HA . . . 8.76 . . 0.5 . . . . . . . . . . . 7116 1 75 3JHNHA . 1 1 80 80 ILE H . . . . 1 1 80 80 ILE HA . . . 10.36 . . 0.5 . . . . . . . . . . . 7116 1 76 3JHNHA . 1 1 81 81 GLU H . . . . 1 1 81 81 GLU HA . . . 10.00 . . 0.5 . . . . . . . . . . . 7116 1 77 3JHNHA . 1 1 82 82 VAL H . . . . 1 1 82 82 VAL HA . . . 9.86 . . 0.5 . . . . . . . . . . . 7116 1 78 3JHNHA . 1 1 83 83 LEU H . . . . 1 1 83 83 LEU HA . . . 9.82 . . 0.5 . . . . . . . . . . . 7116 1 79 3JHNHA . 1 1 84 84 LEU H . . . . 1 1 84 84 LEU HA . . . 6.37 . . 0.5 . . . . . . . . . . . 7116 1 80 3JHNHA . 1 1 85 85 LEU H . . . . 1 1 85 85 LEU HA . . . 9.08 . . 0.5 . . . . . . . . . . . 7116 1 81 3JHNHA . 1 1 86 86 GLY H . . . . 1 1 86 86 GLY HA2 . . . 2.69 . . 0.5 . . . . . . . . . . . 7116 1 82 3JHNHA . 1 1 86 86 GLY H . . . . 1 1 86 86 GLY HA3 . . . 5.40 . . 0.5 . . . . . . . . . . . 7116 1 83 3JHNHA . 1 1 87 87 HIS H . . . . 1 1 87 87 HIS HA . . . 8.02 . . 0.5 . . . . . . . . . . . 7116 1 stop_ save_