data_5687 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5687 _Entry.Title ; Stably folded de novo proteins from a designed combinatorial library ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-02-04 _Entry.Accession_date 2003-02-04 _Entry.Last_release_date . _Entry.Original_release_date . _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 Michael Hecht . H. . 5687 2 Yinan Wei . . . 5687 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5687 heteronucl_NOEs 2 5687 heteronucl_T1_relaxation 2 5687 heteronucl_T2_relaxation 2 5687 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 414 5687 '15N chemical shifts' 119 5687 '1H chemical shifts' 718 5687 'T1 relaxation values' 202 5687 'T2 relaxation values' 202 5687 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2003-02-25 . original author 'original release' 5687 1 . . 2007-11-30 . update author 'addition of T1, T2, and NOE data' 5687 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5687 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N resonance assignments of S-824, a de novo four_helix bundle from a designed combinatorial library ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 27 _Citation.Journal_issue 4 _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 395 _Citation.Page_last 396 _Citation.Year 2003 _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 Yinan Wei . . . 5687 1 2 David Fela . . . 5687 1 3 Seho Kim . . . 5687 1 4 Michael Hecht . H. . 5687 1 5 Jean Baum . . . 5687 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'de novo protein' 5687 1 'four helix bundle' 5687 1 stop_ save_ save_reference_1 _Citation.Sf_category citations _Citation.Sf_framecode reference_1 _Citation.Entry_ID 5687 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12493832 _Citation.Full_citation ; Wei Y, Liu T, Sazinsky SL, Moffet DA, Pelczer I, Hecht MH. Stably folded de novo proteins from a designed combinatorial library. Protein Sci. 2003 Jan;12(1):92-102. ; _Citation.Title 'Stably folded de novo proteins from a designed combinatorial library.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein science : a publication of the Protein Society' _Citation.Journal_volume 12 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0961-8368 _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 92 _Citation.Page_last 102 _Citation.Year 2003 _Citation.Details ; Binary patterning of polar and nonpolar amino acids has been used as the key design feature for constructing large combinatorial libraries of de novo proteins. Each position in a binary patterned sequence is designed explicitly to be either polar or nonpolar; however, the precise identities of these amino acids are varied extensively. The combinatorial underpinnings of the "binary code" strategy preclude explicit design of particular side chains at specified positions. Therefore, packing interactions cannot be specified a priori. To assess whether the binary code strategy can nonetheless produce well-folded de novo proteins, we constructed a second-generation library based upon a new structural scaffold designed to fold into 102-residue four-helix bundles. Characterization of five proteins chosen arbitrarily from this new library revealed that (1) all are alpha-helical and quite stable; (2) four of the five contain an abundance of tertiary interactions indicative of well-ordered structures; and (3) one protein forms a well-folded structure with native-like features. The proteins from this new 102-residue library are substantially more stable and dramatically more native-like than those from an earlier binary patterned library of 74-residue sequences. These findings demonstrate that chain length is a crucial determinant of structural order in libraries of de novo four-helix bundles. Moreover, these results show that the binary code strategy--if applied to an appropriately designed structural scaffold--can generate large collections of stably folded and/or native-like proteins. ; 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 Yinan Wei Y. . . 5687 2 2 Tun Liu T. . . 5687 2 3 'Stephen L' Sazinsky S. L. . 5687 2 4 'David A' Moffet D. A. . 5687 2 5 Istvan Pelczer I. . . 5687 2 6 'Michael H' Hecht M. H. . 5687 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_S-824 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_S-824 _Assembly.Entry_ID 5687 _Assembly.ID 1 _Assembly.Name 'protein S-824' _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 5687 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 's824 monomer' 1 $S-824 . . . native . . . . . 5687 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'protein S-824' system 5687 1 S-824 abbreviation 5687 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_S-824 _Entity.Sf_category entity _Entity.Sf_framecode S-824 _Entity.Entry_ID 5687 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'de novo protein' _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 ; MYGKLNDLLEDLQEVLKNLH KNWHGGKDNLHDVDNHLQNV IEDIHDFMQGGGSGGKLQEM MKEFQQVLDELNNHLQGGKH TVHHIEQNIKEIFHHLEELV HR ; _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11928 _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 1P68 . "Solution Structure Of S-824, A De Novo Designed Four Helix Bundle" . . . . . 100.00 102 100.00 100.00 2.26e-62 . . . . 5687 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'de novo protein' common 5687 1 S-824 abbreviation 5687 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 . 5687 1 2 . TYR . 5687 1 3 . GLY . 5687 1 4 . LYS . 5687 1 5 . LEU . 5687 1 6 . ASN . 5687 1 7 . ASP . 5687 1 8 . LEU . 5687 1 9 . LEU . 5687 1 10 . GLU . 5687 1 11 . ASP . 5687 1 12 . LEU . 5687 1 13 . GLN . 5687 1 14 . GLU . 5687 1 15 . VAL . 5687 1 16 . LEU . 5687 1 17 . LYS . 5687 1 18 . ASN . 5687 1 19 . LEU . 5687 1 20 . HIS . 5687 1 21 . LYS . 5687 1 22 . ASN . 5687 1 23 . TRP . 5687 1 24 . HIS . 5687 1 25 . GLY . 5687 1 26 . GLY . 5687 1 27 . LYS . 5687 1 28 . ASP . 5687 1 29 . ASN . 5687 1 30 . LEU . 5687 1 31 . HIS . 5687 1 32 . ASP . 5687 1 33 . VAL . 5687 1 34 . ASP . 5687 1 35 . ASN . 5687 1 36 . HIS . 5687 1 37 . LEU . 5687 1 38 . GLN . 5687 1 39 . ASN . 5687 1 40 . VAL . 5687 1 41 . ILE . 5687 1 42 . GLU . 5687 1 43 . ASP . 5687 1 44 . ILE . 5687 1 45 . HIS . 5687 1 46 . ASP . 5687 1 47 . PHE . 5687 1 48 . MET . 5687 1 49 . GLN . 5687 1 50 . GLY . 5687 1 51 . GLY . 5687 1 52 . GLY . 5687 1 53 . SER . 5687 1 54 . GLY . 5687 1 55 . GLY . 5687 1 56 . LYS . 5687 1 57 . LEU . 5687 1 58 . GLN . 5687 1 59 . GLU . 5687 1 60 . MET . 5687 1 61 . MET . 5687 1 62 . LYS . 5687 1 63 . GLU . 5687 1 64 . PHE . 5687 1 65 . GLN . 5687 1 66 . GLN . 5687 1 67 . VAL . 5687 1 68 . LEU . 5687 1 69 . ASP . 5687 1 70 . GLU . 5687 1 71 . LEU . 5687 1 72 . ASN . 5687 1 73 . ASN . 5687 1 74 . HIS . 5687 1 75 . LEU . 5687 1 76 . GLN . 5687 1 77 . GLY . 5687 1 78 . GLY . 5687 1 79 . LYS . 5687 1 80 . HIS . 5687 1 81 . THR . 5687 1 82 . VAL . 5687 1 83 . HIS . 5687 1 84 . HIS . 5687 1 85 . ILE . 5687 1 86 . GLU . 5687 1 87 . GLN . 5687 1 88 . ASN . 5687 1 89 . ILE . 5687 1 90 . LYS . 5687 1 91 . GLU . 5687 1 92 . ILE . 5687 1 93 . PHE . 5687 1 94 . HIS . 5687 1 95 . HIS . 5687 1 96 . LEU . 5687 1 97 . GLU . 5687 1 98 . GLU . 5687 1 99 . LEU . 5687 1 100 . VAL . 5687 1 101 . HIS . 5687 1 102 . ARG . 5687 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 5687 1 . TYR 2 2 5687 1 . GLY 3 3 5687 1 . LYS 4 4 5687 1 . LEU 5 5 5687 1 . ASN 6 6 5687 1 . ASP 7 7 5687 1 . LEU 8 8 5687 1 . LEU 9 9 5687 1 . GLU 10 10 5687 1 . ASP 11 11 5687 1 . LEU 12 12 5687 1 . GLN 13 13 5687 1 . GLU 14 14 5687 1 . VAL 15 15 5687 1 . LEU 16 16 5687 1 . LYS 17 17 5687 1 . ASN 18 18 5687 1 . LEU 19 19 5687 1 . HIS 20 20 5687 1 . LYS 21 21 5687 1 . ASN 22 22 5687 1 . TRP 23 23 5687 1 . HIS 24 24 5687 1 . GLY 25 25 5687 1 . GLY 26 26 5687 1 . LYS 27 27 5687 1 . ASP 28 28 5687 1 . ASN 29 29 5687 1 . LEU 30 30 5687 1 . HIS 31 31 5687 1 . ASP 32 32 5687 1 . VAL 33 33 5687 1 . ASP 34 34 5687 1 . ASN 35 35 5687 1 . HIS 36 36 5687 1 . LEU 37 37 5687 1 . GLN 38 38 5687 1 . ASN 39 39 5687 1 . VAL 40 40 5687 1 . ILE 41 41 5687 1 . GLU 42 42 5687 1 . ASP 43 43 5687 1 . ILE 44 44 5687 1 . HIS 45 45 5687 1 . ASP 46 46 5687 1 . PHE 47 47 5687 1 . MET 48 48 5687 1 . GLN 49 49 5687 1 . GLY 50 50 5687 1 . GLY 51 51 5687 1 . GLY 52 52 5687 1 . SER 53 53 5687 1 . GLY 54 54 5687 1 . GLY 55 55 5687 1 . LYS 56 56 5687 1 . LEU 57 57 5687 1 . GLN 58 58 5687 1 . GLU 59 59 5687 1 . MET 60 60 5687 1 . MET 61 61 5687 1 . LYS 62 62 5687 1 . GLU 63 63 5687 1 . PHE 64 64 5687 1 . GLN 65 65 5687 1 . GLN 66 66 5687 1 . VAL 67 67 5687 1 . LEU 68 68 5687 1 . ASP 69 69 5687 1 . GLU 70 70 5687 1 . LEU 71 71 5687 1 . ASN 72 72 5687 1 . ASN 73 73 5687 1 . HIS 74 74 5687 1 . LEU 75 75 5687 1 . GLN 76 76 5687 1 . GLY 77 77 5687 1 . GLY 78 78 5687 1 . LYS 79 79 5687 1 . HIS 80 80 5687 1 . THR 81 81 5687 1 . VAL 82 82 5687 1 . HIS 83 83 5687 1 . HIS 84 84 5687 1 . ILE 85 85 5687 1 . GLU 86 86 5687 1 . GLN 87 87 5687 1 . ASN 88 88 5687 1 . ILE 89 89 5687 1 . LYS 90 90 5687 1 . GLU 91 91 5687 1 . ILE 92 92 5687 1 . PHE 93 93 5687 1 . HIS 94 94 5687 1 . HIS 95 95 5687 1 . LEU 96 96 5687 1 . GLU 97 97 5687 1 . GLU 98 98 5687 1 . LEU 99 99 5687 1 . VAL 100 100 5687 1 . HIS 101 101 5687 1 . ARG 102 102 5687 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 5687 _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 $S-824 . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 5687 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 5687 _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 $S-824 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5687 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5687 _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 'de novo protein' '[U-13C; U-15N]' . . 1 $S-824 . . 2.0 . . mM . . . . 5687 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5687 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 0.02 M 5687 1 pH 4.0 0.2 n/a 5687 1 temperature 298 1 K 5687 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5687 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 5687 _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 Varian INOVA . 600 . . . 5687 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 5687 _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 '1H-15N NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5687 1 2 '1H-13C NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5687 1 3 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5687 1 4 HN(CO)CA . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5687 1 5 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5687 1 6 HN(CA)CO . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5687 1 7 CBCANH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5687 1 8 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5687 1 9 '1H-15N TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5687 1 10 '1H-13C TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5687 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5687 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5687 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5687 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5687 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5687 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5687 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5687 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CBCANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5687 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5687 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5687 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '1H-13C TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # 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 5687 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5687 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5687 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5687 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5687 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 . 5687 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 4.11 0.02 . 1 . . . . . . . . 5687 1 2 . 1 1 1 1 MET HB2 H 1 2.09 0.02 . 2 . . . . . . . . 5687 1 3 . 1 1 1 1 MET HB3 H 1 2.48 0.02 . 2 . . . . . . . . 5687 1 4 . 1 1 1 1 MET C C 13 176.2 0.2 . 1 . . . . . . . . 5687 1 5 . 1 1 1 1 MET CA C 13 55.15 0.2 . 1 . . . . . . . . 5687 1 6 . 1 1 1 1 MET CB C 13 33.02 0.2 . 1 . . . . . . . . 5687 1 7 . 1 1 1 1 MET CG C 13 30.95 0.2 . 1 . . . . . . . . 5687 1 8 . 1 1 2 2 TYR H H 1 8.89 0.02 . 1 . . . . . . . . 5687 1 9 . 1 1 2 2 TYR HA H 1 4.70 0.02 . 1 . . . . . . . . 5687 1 10 . 1 1 2 2 TYR HB2 H 1 3.04 0.02 . 1 . . . . . . . . 5687 1 11 . 1 1 2 2 TYR HB3 H 1 3.04 0.02 . 1 . . . . . . . . 5687 1 12 . 1 1 2 2 TYR HD1 H 1 7.04 0.02 . 1 . . . . . . . . 5687 1 13 . 1 1 2 2 TYR HD2 H 1 7.04 0.02 . 1 . . . . . . . . 5687 1 14 . 1 1 2 2 TYR HE1 H 1 6.73 0.02 . 1 . . . . . . . . 5687 1 15 . 1 1 2 2 TYR HE2 H 1 6.73 0.02 . 1 . . . . . . . . 5687 1 16 . 1 1 2 2 TYR C C 13 176.1 0.2 . 1 . . . . . . . . 5687 1 17 . 1 1 2 2 TYR CA C 13 57.63 0.2 . 1 . . . . . . . . 5687 1 18 . 1 1 2 2 TYR CB C 13 37.92 0.2 . 1 . . . . . . . . 5687 1 19 . 1 1 2 2 TYR N N 15 122.9 0.2 . 1 . . . . . . . . 5687 1 20 . 1 1 3 3 GLY H H 1 8.65 0.02 . 1 . . . . . . . . 5687 1 21 . 1 1 3 3 GLY HA2 H 1 3.85 0.02 . 2 . . . . . . . . 5687 1 22 . 1 1 3 3 GLY HA3 H 1 3.93 0.02 . 2 . . . . . . . . 5687 1 23 . 1 1 3 3 GLY C C 13 174.9 0.2 . 1 . . . . . . . . 5687 1 24 . 1 1 3 3 GLY CA C 13 46.88 0.2 . 1 . . . . . . . . 5687 1 25 . 1 1 3 3 GLY N N 15 112.99 0.2 . 1 . . . . . . . . 5687 1 26 . 1 1 4 4 LYS H H 1 7.79 0.02 . 1 . . . . . . . . 5687 1 27 . 1 1 4 4 LYS HA H 1 4.24 0.02 . 1 . . . . . . . . 5687 1 28 . 1 1 4 4 LYS HB2 H 1 1.56 0.02 . 2 . . . . . . . . 5687 1 29 . 1 1 4 4 LYS HB3 H 1 1.75 0.02 . 2 . . . . . . . . 5687 1 30 . 1 1 4 4 LYS HG2 H 1 1.45 0.02 . 2 . . . . . . . . 5687 1 31 . 1 1 4 4 LYS HG3 H 1 1.38 0.02 . 2 . . . . . . . . 5687 1 32 . 1 1 4 4 LYS HD2 H 1 1.66 0.02 . 2 . . . . . . . . 5687 1 33 . 1 1 4 4 LYS HD3 H 1 1.74 0.02 . 2 . . . . . . . . 5687 1 34 . 1 1 4 4 LYS HE2 H 1 2.98 0.02 . 1 . . . . . . . . 5687 1 35 . 1 1 4 4 LYS HE3 H 1 2.98 0.02 . 1 . . . . . . . . 5687 1 36 . 1 1 4 4 LYS C C 13 179.4 0.2 . 1 . . . . . . . . 5687 1 37 . 1 1 4 4 LYS CA C 13 57.28 0.2 . 1 . . . . . . . . 5687 1 38 . 1 1 4 4 LYS CB C 13 32.58 0.2 . 1 . . . . . . . . 5687 1 39 . 1 1 4 4 LYS CG C 13 25.24 0.2 . 1 . . . . . . . . 5687 1 40 . 1 1 4 4 LYS CD C 13 29.03 0.2 . 1 . . . . . . . . 5687 1 41 . 1 1 4 4 LYS CE C 13 42.19 0.2 . 1 . . . . . . . . 5687 1 42 . 1 1 4 4 LYS N N 15 118.74 0.2 . 1 . . . . . . . . 5687 1 43 . 1 1 5 5 LEU H H 1 8.06 0.02 . 1 . . . . . . . . 5687 1 44 . 1 1 5 5 LEU HA H 1 4.03 0.02 . 1 . . . . . . . . 5687 1 45 . 1 1 5 5 LEU HB2 H 1 1.62 0.02 . 2 . . . . . . . . 5687 1 46 . 1 1 5 5 LEU HB3 H 1 1.72 0.02 . 2 . . . . . . . . 5687 1 47 . 1 1 5 5 LEU HG H 1 1.71 0.02 . 1 . . . . . . . . 5687 1 48 . 1 1 5 5 LEU HD11 H 1 0.89 0.02 . 2 . . . . . . . . 5687 1 49 . 1 1 5 5 LEU HD12 H 1 0.89 0.02 . 2 . . . . . . . . 5687 1 50 . 1 1 5 5 LEU HD13 H 1 0.89 0.02 . 2 . . . . . . . . 5687 1 51 . 1 1 5 5 LEU HD21 H 1 0.94 0.02 . 2 . . . . . . . . 5687 1 52 . 1 1 5 5 LEU HD22 H 1 0.94 0.02 . 2 . . . . . . . . 5687 1 53 . 1 1 5 5 LEU HD23 H 1 0.94 0.02 . 2 . . . . . . . . 5687 1 54 . 1 1 5 5 LEU C C 13 178.0 0.2 . 1 . . . . . . . . 5687 1 55 . 1 1 5 5 LEU CA C 13 57.81 0.2 . 1 . . . . . . . . 5687 1 56 . 1 1 5 5 LEU CB C 13 41.62 0.2 . 1 . . . . . . . . 5687 1 57 . 1 1 5 5 LEU CG C 13 27.42 0.2 . 1 . . . . . . . . 5687 1 58 . 1 1 5 5 LEU CD1 C 13 25.41 0.2 . 2 . . . . . . . . 5687 1 59 . 1 1 5 5 LEU CD2 C 13 24.57 0.2 . 2 . . . . . . . . 5687 1 60 . 1 1 5 5 LEU N N 15 120.57 0.2 . 1 . . . . . . . . 5687 1 61 . 1 1 6 6 ASN H H 1 8.14 0.02 . 1 . . . . . . . . 5687 1 62 . 1 1 6 6 ASN HA H 1 4.34 0.02 . 1 . . . . . . . . 5687 1 63 . 1 1 6 6 ASN HB2 H 1 2.73 0.02 . 2 . . . . . . . . 5687 1 64 . 1 1 6 6 ASN HB3 H 1 2.83 0.02 . 2 . . . . . . . . 5687 1 65 . 1 1 6 6 ASN HD21 H 1 6.84 0.02 . 2 . . . . . . . . 5687 1 66 . 1 1 6 6 ASN HD22 H 1 7.74 0.02 . 2 . . . . . . . . 5687 1 67 . 1 1 6 6 ASN C C 13 177.5 0.2 . 1 . . . . . . . . 5687 1 68 . 1 1 6 6 ASN CA C 13 56.87 0.2 . 1 . . . . . . . . 5687 1 69 . 1 1 6 6 ASN CB C 13 38.29 0.2 . 1 . . . . . . . . 5687 1 70 . 1 1 6 6 ASN N N 15 117.1 0.2 . 1 . . . . . . . . 5687 1 71 . 1 1 6 6 ASN ND2 N 15 113.3 0.2 . 1 . . . . . . . . 5687 1 72 . 1 1 7 7 ASP H H 1 7.79 0.02 . 1 . . . . . . . . 5687 1 73 . 1 1 7 7 ASP HA H 1 4.38 0.02 . 1 . . . . . . . . 5687 1 74 . 1 1 7 7 ASP HB2 H 1 2.80 0.02 . 1 . . . . . . . . 5687 1 75 . 1 1 7 7 ASP HB3 H 1 2.80 0.02 . 1 . . . . . . . . 5687 1 76 . 1 1 7 7 ASP C C 13 178.0 0.2 . 1 . . . . . . . . 5687 1 77 . 1 1 7 7 ASP CA C 13 57.08 0.2 . 1 . . . . . . . . 5687 1 78 . 1 1 7 7 ASP CB C 13 40.02 0.2 . 1 . . . . . . . . 5687 1 79 . 1 1 7 7 ASP N N 15 119.52 0.2 . 1 . . . . . . . . 5687 1 80 . 1 1 8 8 LEU H H 1 7.53 0.02 . 1 . . . . . . . . 5687 1 81 . 1 1 8 8 LEU HA H 1 4.22 0.02 . 1 . . . . . . . . 5687 1 82 . 1 1 8 8 LEU HB2 H 1 1.61 0.02 . 2 . . . . . . . . 5687 1 83 . 1 1 8 8 LEU HB3 H 1 1.89 0.02 . 2 . . . . . . . . 5687 1 84 . 1 1 8 8 LEU HG H 1 1.59 0.02 . 1 . . . . . . . . 5687 1 85 . 1 1 8 8 LEU HD11 H 1 0.85 0.02 . 2 . . . . . . . . 5687 1 86 . 1 1 8 8 LEU HD12 H 1 0.85 0.02 . 2 . . . . . . . . 5687 1 87 . 1 1 8 8 LEU HD13 H 1 0.85 0.02 . 2 . . . . . . . . 5687 1 88 . 1 1 8 8 LEU HD21 H 1 0.94 0.02 . 2 . . . . . . . . 5687 1 89 . 1 1 8 8 LEU HD22 H 1 0.94 0.02 . 2 . . . . . . . . 5687 1 90 . 1 1 8 8 LEU HD23 H 1 0.94 0.02 . 2 . . . . . . . . 5687 1 91 . 1 1 8 8 LEU C C 13 178.6 0.2 . 1 . . . . . . . . 5687 1 92 . 1 1 8 8 LEU CA C 13 57.82 0.2 . 1 . . . . . . . . 5687 1 93 . 1 1 8 8 LEU CB C 13 41.64 0.2 . 1 . . . . . . . . 5687 1 94 . 1 1 8 8 LEU CG C 13 27.25 0.2 . 1 . . . . . . . . 5687 1 95 . 1 1 8 8 LEU CD1 C 13 25.8 0.2 . 2 . . . . . . . . 5687 1 96 . 1 1 8 8 LEU CD2 C 13 24.65 0.2 . 2 . . . . . . . . 5687 1 97 . 1 1 8 8 LEU N N 15 120.68 0.2 . 1 . . . . . . . . 5687 1 98 . 1 1 9 9 LEU H H 1 8.15 0.02 . 1 . . . . . . . . 5687 1 99 . 1 1 9 9 LEU HA H 1 3.94 0.02 . 1 . . . . . . . . 5687 1 100 . 1 1 9 9 LEU HB2 H 1 1.77 0.02 . 2 . . . . . . . . 5687 1 101 . 1 1 9 9 LEU HB3 H 1 1.83 0.02 . 2 . . . . . . . . 5687 1 102 . 1 1 9 9 LEU HG H 1 1.65 0.02 . 1 . . . . . . . . 5687 1 103 . 1 1 9 9 LEU HD11 H 1 0.87 0.02 . 2 . . . . . . . . 5687 1 104 . 1 1 9 9 LEU HD12 H 1 0.87 0.02 . 2 . . . . . . . . 5687 1 105 . 1 1 9 9 LEU HD13 H 1 0.87 0.02 . 2 . . . . . . . . 5687 1 106 . 1 1 9 9 LEU HD21 H 1 0.86 0.02 . 2 . . . . . . . . 5687 1 107 . 1 1 9 9 LEU HD22 H 1 0.86 0.02 . 2 . . . . . . . . 5687 1 108 . 1 1 9 9 LEU HD23 H 1 0.86 0.02 . 2 . . . . . . . . 5687 1 109 . 1 1 9 9 LEU C C 13 179.0 0.2 . 1 . . . . . . . . 5687 1 110 . 1 1 9 9 LEU CA C 13 58.66 0.2 . 1 . . . . . . . . 5687 1 111 . 1 1 9 9 LEU CB C 13 41.64 0.2 . 1 . . . . . . . . 5687 1 112 . 1 1 9 9 LEU CG C 13 27.13 0.2 . 1 . . . . . . . . 5687 1 113 . 1 1 9 9 LEU CD1 C 13 25.6 0.2 . 2 . . . . . . . . 5687 1 114 . 1 1 9 9 LEU CD2 C 13 25.2 0.2 . 2 . . . . . . . . 5687 1 115 . 1 1 9 9 LEU N N 15 119.17 0.2 . 1 . . . . . . . . 5687 1 116 . 1 1 10 10 GLU H H 1 8.03 0.02 . 1 . . . . . . . . 5687 1 117 . 1 1 10 10 GLU HA H 1 4.12 0.02 . 1 . . . . . . . . 5687 1 118 . 1 1 10 10 GLU HB2 H 1 2.22 0.02 . 1 . . . . . . . . 5687 1 119 . 1 1 10 10 GLU HB3 H 1 2.22 0.02 . 1 . . . . . . . . 5687 1 120 . 1 1 10 10 GLU HG2 H 1 2.52 0.02 . 2 . . . . . . . . 5687 1 121 . 1 1 10 10 GLU HG3 H 1 2.57 0.2 . 2 . . . . . . . . 5687 1 122 . 1 1 10 10 GLU C C 13 177.9 0.2 . 1 . . . . . . . . 5687 1 123 . 1 1 10 10 GLU CA C 13 59.35 0.2 . 1 . . . . . . . . 5687 1 124 . 1 1 10 10 GLU CB C 13 27.98 0.2 . 1 . . . . . . . . 5687 1 125 . 1 1 10 10 GLU CG C 13 34.15 0.2 . 1 . . . . . . . . 5687 1 126 . 1 1 10 10 GLU N N 15 118.75 0.2 . 1 . . . . . . . . 5687 1 127 . 1 1 11 11 ASP H H 1 8.21 0.02 . 1 . . . . . . . . 5687 1 128 . 1 1 11 11 ASP HA H 1 4.49 0.02 . 1 . . . . . . . . 5687 1 129 . 1 1 11 11 ASP HB2 H 1 3.09 0.02 . 2 . . . . . . . . 5687 1 130 . 1 1 11 11 ASP HB3 H 1 2.62 0.02 . 2 . . . . . . . . 5687 1 131 . 1 1 11 11 ASP C C 13 179.1 0.2 . 1 . . . . . . . . 5687 1 132 . 1 1 11 11 ASP CA C 13 57.04 0.2 . 1 . . . . . . . . 5687 1 133 . 1 1 11 11 ASP CB C 13 39.72 0.2 . 1 . . . . . . . . 5687 1 134 . 1 1 11 11 ASP N N 15 120.50 0.2 . 1 . . . . . . . . 5687 1 135 . 1 1 12 12 LEU H H 1 8.58 0.02 . 1 . . . . . . . . 5687 1 136 . 1 1 12 12 LEU HA H 1 4.00 0.02 . 1 . . . . . . . . 5687 1 137 . 1 1 12 12 LEU HB2 H 1 2.00 0.02 . 2 . . . . . . . . 5687 1 138 . 1 1 12 12 LEU HB3 H 1 1.40 0.02 . 2 . . . . . . . . 5687 1 139 . 1 1 12 12 LEU HG H 1 1.92 0.02 . 1 . . . . . . . . 5687 1 140 . 1 1 12 12 LEU HD11 H 1 0.78 0.02 . 2 . . . . . . . . 5687 1 141 . 1 1 12 12 LEU HD12 H 1 0.78 0.02 . 2 . . . . . . . . 5687 1 142 . 1 1 12 12 LEU HD13 H 1 0.78 0.02 . 2 . . . . . . . . 5687 1 143 . 1 1 12 12 LEU HD21 H 1 0.83 0.02 . 2 . . . . . . . . 5687 1 144 . 1 1 12 12 LEU HD22 H 1 0.83 0.02 . 2 . . . . . . . . 5687 1 145 . 1 1 12 12 LEU HD23 H 1 0.83 0.02 . 2 . . . . . . . . 5687 1 146 . 1 1 12 12 LEU C C 13 178.9 0.2 . 1 . . . . . . . . 5687 1 147 . 1 1 12 12 LEU CA C 13 58.04 0.2 . 1 . . . . . . . . 5687 1 148 . 1 1 12 12 LEU CB C 13 41.94 0.2 . 1 . . . . . . . . 5687 1 149 . 1 1 12 12 LEU CG C 13 26.40 0.2 . 1 . . . . . . . . 5687 1 150 . 1 1 12 12 LEU CD1 C 13 26.20 0.2 . 2 . . . . . . . . 5687 1 151 . 1 1 12 12 LEU CD2 C 13 22.94 0.2 . 2 . . . . . . . . 5687 1 152 . 1 1 12 12 LEU N N 15 119.77 0.2 . 1 . . . . . . . . 5687 1 153 . 1 1 13 13 GLN H H 1 8.46 0.02 . 1 . . . . . . . . 5687 1 154 . 1 1 13 13 GLN HA H 1 3.84 0.02 . 1 . . . . . . . . 5687 1 155 . 1 1 13 13 GLN HB2 H 1 2.12 0.02 . 2 . . . . . . . . 5687 1 156 . 1 1 13 13 GLN HB3 H 1 2.20 0.02 . 2 . . . . . . . . 5687 1 157 . 1 1 13 13 GLN HG2 H 1 2.44 0.02 . 2 . . . . . . . . 5687 1 158 . 1 1 13 13 GLN HG3 H 1 2.57 0.02 . 2 . . . . . . . . 5687 1 159 . 1 1 13 13 GLN HE21 H 1 7.19 0.02 . 2 . . . . . . . . 5687 1 160 . 1 1 13 13 GLN HE22 H 1 6.87 0.02 . 2 . . . . . . . . 5687 1 161 . 1 1 13 13 GLN C C 13 179.0 0.2 . 1 . . . . . . . . 5687 1 162 . 1 1 13 13 GLN CA C 13 59.34 0.2 . 1 . . . . . . . . 5687 1 163 . 1 1 13 13 GLN CB C 13 28.40 0.2 . 1 . . . . . . . . 5687 1 164 . 1 1 13 13 GLN CG C 13 34.52 0.2 . 1 . . . . . . . . 5687 1 165 . 1 1 13 13 GLN N N 15 118.5 0.2 . 1 . . . . . . . . 5687 1 166 . 1 1 13 13 GLN NE2 N 15 110.22 0.2 . 1 . . . . . . . . 5687 1 167 . 1 1 14 14 GLU H H 1 8.07 0.02 . 1 . . . . . . . . 5687 1 168 . 1 1 14 14 GLU HA H 1 4.12 0.02 . 1 . . . . . . . . 5687 1 169 . 1 1 14 14 GLU HB2 H 1 2.29 0.02 . 1 . . . . . . . . 5687 1 170 . 1 1 14 14 GLU HB3 H 1 2.29 0.02 . 1 . . . . . . . . 5687 1 171 . 1 1 14 14 GLU HG2 H 1 2.48 0.02 . 2 . . . . . . . . 5687 1 172 . 1 1 14 14 GLU HG3 H 1 2.50 0.02 . 2 . . . . . . . . 5687 1 173 . 1 1 14 14 GLU C C 13 179.0 0.2 . 1 . . . . . . . . 5687 1 174 . 1 1 14 14 GLU CA C 13 59.35 0.2 . 1 . . . . . . . . 5687 1 175 . 1 1 14 14 GLU CB C 13 28.34 0.2 . 1 . . . . . . . . 5687 1 176 . 1 1 14 14 GLU CG C 13 34.80 0.2 . 1 . . . . . . . . 5687 1 177 . 1 1 14 14 GLU N N 15 121.09 0.2 . 1 . . . . . . . . 5687 1 178 . 1 1 15 15 VAL H H 1 8.07 0.02 . 1 . . . . . . . . 5687 1 179 . 1 1 15 15 VAL HA H 1 3.75 0.02 . 1 . . . . . . . . 5687 1 180 . 1 1 15 15 VAL HB H 1 2.33 0.02 . 1 . . . . . . . . 5687 1 181 . 1 1 15 15 VAL HG11 H 1 0.92 0.02 . 2 . . . . . . . . 5687 1 182 . 1 1 15 15 VAL HG12 H 1 0.92 0.02 . 2 . . . . . . . . 5687 1 183 . 1 1 15 15 VAL HG13 H 1 0.92 0.02 . 2 . . . . . . . . 5687 1 184 . 1 1 15 15 VAL HG21 H 1 1.09 0.02 . 2 . . . . . . . . 5687 1 185 . 1 1 15 15 VAL HG22 H 1 1.09 0.02 . 2 . . . . . . . . 5687 1 186 . 1 1 15 15 VAL HG23 H 1 1.09 0.02 . 2 . . . . . . . . 5687 1 187 . 1 1 15 15 VAL C C 13 178.9 0.2 . 1 . . . . . . . . 5687 1 188 . 1 1 15 15 VAL CA C 13 66.52 0.2 . 1 . . . . . . . . 5687 1 189 . 1 1 15 15 VAL CB C 13 31.44 0.2 . 1 . . . . . . . . 5687 1 190 . 1 1 15 15 VAL CG1 C 13 22.12 0.2 . 2 . . . . . . . . 5687 1 191 . 1 1 15 15 VAL CG2 C 13 22.98 0.2 . 2 . . . . . . . . 5687 1 192 . 1 1 15 15 VAL N N 15 120.37 0.2 . 1 . . . . . . . . 5687 1 193 . 1 1 16 16 LEU H H 1 8.22 0.02 . 1 . . . . . . . . 5687 1 194 . 1 1 16 16 LEU HA H 1 3.95 0.02 . 1 . . . . . . . . 5687 1 195 . 1 1 16 16 LEU HB2 H 1 1.84 0.02 . 2 . . . . . . . . 5687 1 196 . 1 1 16 16 LEU HB3 H 1 1.62 0.02 . 2 . . . . . . . . 5687 1 197 . 1 1 16 16 LEU HG H 1 1.62 0.02 . 1 . . . . . . . . 5687 1 198 . 1 1 16 16 LEU HD11 H 1 0.90 0.02 . 2 . . . . . . . . 5687 1 199 . 1 1 16 16 LEU HD12 H 1 0.90 0.02 . 2 . . . . . . . . 5687 1 200 . 1 1 16 16 LEU HD13 H 1 0.90 0.02 . 2 . . . . . . . . 5687 1 201 . 1 1 16 16 LEU HD21 H 1 0.94 0.02 . 2 . . . . . . . . 5687 1 202 . 1 1 16 16 LEU HD22 H 1 0.94 0.02 . 2 . . . . . . . . 5687 1 203 . 1 1 16 16 LEU HD23 H 1 0.94 0.02 . 2 . . . . . . . . 5687 1 204 . 1 1 16 16 LEU C C 13 179.3 0.2 . 1 . . . . . . . . 5687 1 205 . 1 1 16 16 LEU CA C 13 58.46 0.2 . 1 . . . . . . . . 5687 1 206 . 1 1 16 16 LEU CB C 13 42.17 0.2 . 1 . . . . . . . . 5687 1 207 . 1 1 16 16 LEU CG C 13 26.91 0.2 . 1 . . . . . . . . 5687 1 208 . 1 1 16 16 LEU CD1 C 13 25.62 0.2 . 2 . . . . . . . . 5687 1 209 . 1 1 16 16 LEU CD2 C 13 24.66 0.2 . 2 . . . . . . . . 5687 1 210 . 1 1 16 16 LEU N N 15 119.60 0.2 . 1 . . . . . . . . 5687 1 211 . 1 1 17 17 LYS H H 1 8.19 0.02 . 1 . . . . . . . . 5687 1 212 . 1 1 17 17 LYS HA H 1 4.06 0.02 . 1 . . . . . . . . 5687 1 213 . 1 1 17 17 LYS HB2 H 1 1.97 0.02 . 1 . . . . . . . . 5687 1 214 . 1 1 17 17 LYS HB3 H 1 1.97 0.02 . 1 . . . . . . . . 5687 1 215 . 1 1 17 17 LYS HG2 H 1 1.58 0.02 . 2 . . . . . . . . 5687 1 216 . 1 1 17 17 LYS HG3 H 1 1.45 0.02 . 2 . . . . . . . . 5687 1 217 . 1 1 17 17 LYS HD2 H 1 1.62 0.02 . 1 . . . . . . . . 5687 1 218 . 1 1 17 17 LYS HD3 H 1 1.62 0.02 . 1 . . . . . . . . 5687 1 219 . 1 1 17 17 LYS HE2 H 1 2.96 0.02 . 1 . . . . . . . . 5687 1 220 . 1 1 17 17 LYS HE3 H 1 2.96 0.02 . 1 . . . . . . . . 5687 1 221 . 1 1 17 17 LYS C C 13 178.8 0.2 . 1 . . . . . . . . 5687 1 222 . 1 1 17 17 LYS CA C 13 59.41 0.2 . 1 . . . . . . . . 5687 1 223 . 1 1 17 17 LYS CB C 13 32.62 0.2 . 1 . . . . . . . . 5687 1 224 . 1 1 17 17 LYS CG C 13 25.00 0.2 . 1 . . . . . . . . 5687 1 225 . 1 1 17 17 LYS CD C 13 29.53 0.2 . 1 . . . . . . . . 5687 1 226 . 1 1 17 17 LYS CE C 13 42.15 0.2 . 1 . . . . . . . . 5687 1 227 . 1 1 17 17 LYS N N 15 118.70 0.2 . 1 . . . . . . . . 5687 1 228 . 1 1 18 18 ASN H H 1 7.63 0.02 . 1 . . . . . . . . 5687 1 229 . 1 1 18 18 ASN HA H 1 4.90 0.02 . 1 . . . . . . . . 5687 1 230 . 1 1 18 18 ASN HB2 H 1 2.81 0.02 . 2 . . . . . . . . 5687 1 231 . 1 1 18 18 ASN HB3 H 1 2.96 0.02 . 2 . . . . . . . . 5687 1 232 . 1 1 18 18 ASN HD21 H 1 7.68 0.02 . 2 . . . . . . . . 5687 1 233 . 1 1 18 18 ASN HD22 H 1 7.12 0.02 . 2 . . . . . . . . 5687 1 234 . 1 1 18 18 ASN C C 13 176.4 0.2 . 1 . . . . . . . . 5687 1 235 . 1 1 18 18 ASN CA C 13 54.36 0.2 . 1 . . . . . . . . 5687 1 236 . 1 1 18 18 ASN CB C 13 39.89 0.2 . 1 . . . . . . . . 5687 1 237 . 1 1 18 18 ASN N N 15 115.55 0.2 . 1 . . . . . . . . 5687 1 238 . 1 1 18 18 ASN ND2 N 15 114.9 0.2 . 1 . . . . . . . . 5687 1 239 . 1 1 19 19 LEU H H 1 8.00 0.02 . 1 . . . . . . . . 5687 1 240 . 1 1 19 19 LEU HA H 1 4.10 0.02 . 1 . . . . . . . . 5687 1 241 . 1 1 19 19 LEU HB2 H 1 1.74 0.02 . 2 . . . . . . . . 5687 1 242 . 1 1 19 19 LEU HB3 H 1 1.97 0.02 . 2 . . . . . . . . 5687 1 243 . 1 1 19 19 LEU HG H 1 1.64 0.02 . 1 . . . . . . . . 5687 1 244 . 1 1 19 19 LEU HD11 H 1 0.78 0.02 . 2 . . . . . . . . 5687 1 245 . 1 1 19 19 LEU HD12 H 1 0.78 0.02 . 2 . . . . . . . . 5687 1 246 . 1 1 19 19 LEU HD13 H 1 0.78 0.02 . 2 . . . . . . . . 5687 1 247 . 1 1 19 19 LEU HD21 H 1 0.89 0.02 . 2 . . . . . . . . 5687 1 248 . 1 1 19 19 LEU HD22 H 1 0.89 0.02 . 2 . . . . . . . . 5687 1 249 . 1 1 19 19 LEU HD23 H 1 0.89 0.02 . 2 . . . . . . . . 5687 1 250 . 1 1 19 19 LEU C C 13 178.0 0.2 . 1 . . . . . . . . 5687 1 251 . 1 1 19 19 LEU CA C 13 58.97 0.2 . 1 . . . . . . . . 5687 1 252 . 1 1 19 19 LEU CB C 13 42.58 0.2 . 1 . . . . . . . . 5687 1 253 . 1 1 19 19 LEU CG C 13 26.70 0.2 . 1 . . . . . . . . 5687 1 254 . 1 1 19 19 LEU CD1 C 13 25.72 0.2 . 2 . . . . . . . . 5687 1 255 . 1 1 19 19 LEU CD2 C 13 25.28 0.2 . 2 . . . . . . . . 5687 1 256 . 1 1 19 19 LEU N N 15 123.24 0.2 . 1 . . . . . . . . 5687 1 257 . 1 1 20 20 HIS H H 1 8.57 0.02 . 1 . . . . . . . . 5687 1 258 . 1 1 20 20 HIS HA H 1 4.21 0.02 . 1 . . . . . . . . 5687 1 259 . 1 1 20 20 HIS HB2 H 1 3.30 0.02 . 1 . . . . . . . . 5687 1 260 . 1 1 20 20 HIS HB3 H 1 3.30 0.02 . 1 . . . . . . . . 5687 1 261 . 1 1 20 20 HIS HD2 H 1 7.29 0.02 . 1 . . . . . . . . 5687 1 262 . 1 1 20 20 HIS C C 13 176.9 0.2 . 1 . . . . . . . . 5687 1 263 . 1 1 20 20 HIS CA C 13 58.92 0.2 . 1 . . . . . . . . 5687 1 264 . 1 1 20 20 HIS CB C 13 27.79 0.2 . 1 . . . . . . . . 5687 1 265 . 1 1 20 20 HIS N N 15 112.84 0.2 . 1 . . . . . . . . 5687 1 266 . 1 1 21 21 LYS H H 1 7.87 0.02 . 1 . . . . . . . . 5687 1 267 . 1 1 21 21 LYS HA H 1 4.30 0.02 . 1 . . . . . . . . 5687 1 268 . 1 1 21 21 LYS HB2 H 1 1.90 0.02 . 1 . . . . . . . . 5687 1 269 . 1 1 21 21 LYS HB3 H 1 1.90 0.02 . 1 . . . . . . . . 5687 1 270 . 1 1 21 21 LYS HG2 H 1 1.45 0.02 . 1 . . . . . . . . 5687 1 271 . 1 1 21 21 LYS HG3 H 1 1.45 0.02 . 1 . . . . . . . . 5687 1 272 . 1 1 21 21 LYS HD2 H 1 1.72 0.02 . 1 . . . . . . . . 5687 1 273 . 1 1 21 21 LYS HD3 H 1 1.72 0.02 . 1 . . . . . . . . 5687 1 274 . 1 1 21 21 LYS HE2 H 1 3.03 0.02 . 1 . . . . . . . . 5687 1 275 . 1 1 21 21 LYS HE3 H 1 3.03 0.02 . 1 . . . . . . . . 5687 1 276 . 1 1 21 21 LYS C C 13 177.4 0.2 . 1 . . . . . . . . 5687 1 277 . 1 1 21 21 LYS CA C 13 58.17 0.2 . 1 . . . . . . . . 5687 1 278 . 1 1 21 21 LYS CB C 13 33.01 0.2 . 1 . . . . . . . . 5687 1 279 . 1 1 21 21 LYS CG C 13 24.84 0.2 . 1 . . . . . . . . 5687 1 280 . 1 1 21 21 LYS CD C 13 29.43 0.2 . 1 . . . . . . . . 5687 1 281 . 1 1 21 21 LYS CE C 13 42.21 0.2 . 1 . . . . . . . . 5687 1 282 . 1 1 21 21 LYS N N 15 118.62 0.2 . 1 . . . . . . . . 5687 1 283 . 1 1 22 22 ASN H H 1 7.76 0.02 . 1 . . . . . . . . 5687 1 284 . 1 1 22 22 ASN HA H 1 4.99 0.02 . 1 . . . . . . . . 5687 1 285 . 1 1 22 22 ASN HB2 H 1 2.71 0.02 . 2 . . . . . . . . 5687 1 286 . 1 1 22 22 ASN HB3 H 1 3.14 0.02 . 2 . . . . . . . . 5687 1 287 . 1 1 22 22 ASN HD21 H 1 7.60 0.02 . 2 . . . . . . . . 5687 1 288 . 1 1 22 22 ASN HD22 H 1 7.17 0.02 . 2 . . . . . . . . 5687 1 289 . 1 1 22 22 ASN C C 13 174.8 0.2 . 1 . . . . . . . . 5687 1 290 . 1 1 22 22 ASN CA C 13 53.44 0.2 . 1 . . . . . . . . 5687 1 291 . 1 1 22 22 ASN CB C 13 40.13 0.2 . 1 . . . . . . . . 5687 1 292 . 1 1 22 22 ASN N N 15 115.32 0.2 . 1 . . . . . . . . 5687 1 293 . 1 1 22 22 ASN ND2 N 15 113.80 0.2 . 1 . . . . . . . . 5687 1 294 . 1 1 23 23 TRP H H 1 7.95 0.02 . 1 . . . . . . . . 5687 1 295 . 1 1 23 23 TRP HA H 1 4.70 0.02 . 1 . . . . . . . . 5687 1 296 . 1 1 23 23 TRP HB2 H 1 3.49 0.02 . 2 . . . . . . . . 5687 1 297 . 1 1 23 23 TRP HB3 H 1 3.18 0.02 . 2 . . . . . . . . 5687 1 298 . 1 1 23 23 TRP HD1 H 1 6.99 0.02 . 1 . . . . . . . . 5687 1 299 . 1 1 23 23 TRP HE3 H 1 7.40 0.02 . 1 . . . . . . . . 5687 1 300 . 1 1 23 23 TRP HZ2 H 1 7.10 0.02 . 1 . . . . . . . . 5687 1 301 . 1 1 23 23 TRP HZ3 H 1 6.85 0.02 . 1 . . . . . . . . 5687 1 302 . 1 1 23 23 TRP C C 13 176.1 0.2 . 1 . . . . . . . . 5687 1 303 . 1 1 23 23 TRP CA C 13 58.46 0.2 . 1 . . . . . . . . 5687 1 304 . 1 1 23 23 TRP CB C 13 30.05 0.2 . 1 . . . . . . . . 5687 1 305 . 1 1 23 23 TRP N N 15 122.64 0.2 . 1 . . . . . . . . 5687 1 306 . 1 1 23 23 TRP NE1 N 15 128.40 0.2 . 1 . . . . . . . . 5687 1 307 . 1 1 24 24 HIS H H 1 8.45 0.02 . 1 . . . . . . . . 5687 1 308 . 1 1 24 24 HIS HA H 1 4.93 0.02 . 1 . . . . . . . . 5687 1 309 . 1 1 24 24 HIS HB2 H 1 3.22 0.02 . 2 . . . . . . . . 5687 1 310 . 1 1 24 24 HIS HB3 H 1 2.93 0.02 . 2 . . . . . . . . 5687 1 311 . 1 1 24 24 HIS HD2 H 1 7.21 0.02 . 1 . . . . . . . . 5687 1 312 . 1 1 24 24 HIS C C 13 173.6 0.2 . 1 . . . . . . . . 5687 1 313 . 1 1 24 24 HIS CA C 13 54.40 0.2 . 1 . . . . . . . . 5687 1 314 . 1 1 24 24 HIS CB C 13 29.53 0.2 . 1 . . . . . . . . 5687 1 315 . 1 1 24 24 HIS N N 15 126.27 0.2 . 1 . . . . . . . . 5687 1 316 . 1 1 25 25 GLY H H 1 7.09 0.02 . 1 . . . . . . . . 5687 1 317 . 1 1 25 25 GLY HA2 H 1 3.96 0.02 . 2 . . . . . . . . 5687 1 318 . 1 1 25 25 GLY HA3 H 1 3.62 0.02 . 2 . . . . . . . . 5687 1 319 . 1 1 25 25 GLY C C 13 173.7 0.2 . 1 . . . . . . . . 5687 1 320 . 1 1 25 25 GLY CA C 13 44.89 0.2 . 1 . . . . . . . . 5687 1 321 . 1 1 25 25 GLY N N 15 109.32 0.2 . 1 . . . . . . . . 5687 1 322 . 1 1 26 26 GLY H H 1 8.86 0.02 . 1 . . . . . . . . 5687 1 323 . 1 1 26 26 GLY HA2 H 1 4.18 0.02 . 1 . . . . . . . . 5687 1 324 . 1 1 26 26 GLY HA3 H 1 4.18 0.02 . 1 . . . . . . . . 5687 1 325 . 1 1 26 26 GLY C C 13 176.1 0.2 . 1 . . . . . . . . 5687 1 326 . 1 1 26 26 GLY CA C 13 45.68 0.2 . 1 . . . . . . . . 5687 1 327 . 1 1 26 26 GLY N N 15 108.51 0.2 . 1 . . . . . . . . 5687 1 328 . 1 1 27 27 LYS H H 1 8.86 0.02 . 1 . . . . . . . . 5687 1 329 . 1 1 27 27 LYS HA H 1 4.10 0.02 . 1 . . . . . . . . 5687 1 330 . 1 1 27 27 LYS HB2 H 1 1.87 0.02 . 1 . . . . . . . . 5687 1 331 . 1 1 27 27 LYS HB3 H 1 1.87 0.02 . 1 . . . . . . . . 5687 1 332 . 1 1 27 27 LYS HG2 H 1 1.56 0.02 . 2 . . . . . . . . 5687 1 333 . 1 1 27 27 LYS HG3 H 1 1.42 0.02 . 2 . . . . . . . . 5687 1 334 . 1 1 27 27 LYS HD2 H 1 1.73 0.02 . 1 . . . . . . . . 5687 1 335 . 1 1 27 27 LYS HD3 H 1 1.73 0.02 . 1 . . . . . . . . 5687 1 336 . 1 1 27 27 LYS HE2 H 1 3.03 0.02 . 1 . . . . . . . . 5687 1 337 . 1 1 27 27 LYS HE3 H 1 3.03 0.02 . 1 . . . . . . . . 5687 1 338 . 1 1 27 27 LYS C C 13 178.2 0.2 . 1 . . . . . . . . 5687 1 339 . 1 1 27 27 LYS CA C 13 58.78 0.2 . 1 . . . . . . . . 5687 1 340 . 1 1 27 27 LYS CB C 13 32.65 0.2 . 1 . . . . . . . . 5687 1 341 . 1 1 27 27 LYS CG C 13 25.12 0.2 . 1 . . . . . . . . 5687 1 342 . 1 1 27 27 LYS CD C 13 29.25 0.2 . 1 . . . . . . . . 5687 1 343 . 1 1 27 27 LYS CE C 13 42.20 0.2 . 1 . . . . . . . . 5687 1 344 . 1 1 27 27 LYS N N 15 123.53 0.2 . 1 . . . . . . . . 5687 1 345 . 1 1 28 28 ASP H H 1 8.77 0.02 . 1 . . . . . . . . 5687 1 346 . 1 1 28 28 ASP HA H 1 4.44 0.02 . 1 . . . . . . . . 5687 1 347 . 1 1 28 28 ASP HB2 H 1 2.68 0.02 . 2 . . . . . . . . 5687 1 348 . 1 1 28 28 ASP HB3 H 1 2.77 0.02 . 2 . . . . . . . . 5687 1 349 . 1 1 28 28 ASP C C 13 177.7 0.2 . 1 . . . . . . . . 5687 1 350 . 1 1 28 28 ASP CA C 13 56.56 0.2 . 1 . . . . . . . . 5687 1 351 . 1 1 28 28 ASP CB C 13 39.42 0.2 . 1 . . . . . . . . 5687 1 352 . 1 1 28 28 ASP N N 15 120.80 0.2 . 1 . . . . . . . . 5687 1 353 . 1 1 29 29 ASN H H 1 8.26 0.02 . 1 . . . . . . . . 5687 1 354 . 1 1 29 29 ASN HA H 1 4.67 0.02 . 1 . . . . . . . . 5687 1 355 . 1 1 29 29 ASN HB2 H 1 2.88 0.02 . 2 . . . . . . . . 5687 1 356 . 1 1 29 29 ASN HB3 H 1 3.01 0.02 . 2 . . . . . . . . 5687 1 357 . 1 1 29 29 ASN HD21 H 1 7.76 0.02 . 2 . . . . . . . . 5687 1 358 . 1 1 29 29 ASN HD22 H 1 7.12 0.02 . 2 . . . . . . . . 5687 1 359 . 1 1 29 29 ASN C C 13 176.2 0.2 . 1 . . . . . . . . 5687 1 360 . 1 1 29 29 ASN CA C 13 54.95 0.2 . 1 . . . . . . . . 5687 1 361 . 1 1 29 29 ASN CB C 13 38.86 0.2 . 1 . . . . . . . . 5687 1 362 . 1 1 29 29 ASN N N 15 118.16 0.2 . 1 . . . . . . . . 5687 1 363 . 1 1 29 29 ASN ND2 N 15 112.10 0.2 . 1 . . . . . . . . 5687 1 364 . 1 1 30 30 LEU H H 1 7.48 0.02 . 1 . . . . . . . . 5687 1 365 . 1 1 30 30 LEU HA H 1 2.90 0.02 . 1 . . . . . . . . 5687 1 366 . 1 1 30 30 LEU HB2 H 1 0.30 0.02 . 2 . . . . . . . . 5687 1 367 . 1 1 30 30 LEU HB3 H 1 1.41 0.02 . 2 . . . . . . . . 5687 1 368 . 1 1 30 30 LEU HG H 1 0.90 0.02 . 1 . . . . . . . . 5687 1 369 . 1 1 30 30 LEU HD11 H 1 0.32 0.02 . 2 . . . . . . . . 5687 1 370 . 1 1 30 30 LEU HD12 H 1 0.32 0.02 . 2 . . . . . . . . 5687 1 371 . 1 1 30 30 LEU HD13 H 1 0.32 0.02 . 2 . . . . . . . . 5687 1 372 . 1 1 30 30 LEU HD21 H 1 -0.06 0.02 . 2 . . . . . . . . 5687 1 373 . 1 1 30 30 LEU HD22 H 1 -0.06 0.02 . 2 . . . . . . . . 5687 1 374 . 1 1 30 30 LEU HD23 H 1 -0.06 0.02 . 2 . . . . . . . . 5687 1 375 . 1 1 30 30 LEU C C 13 177.1 0.2 . 1 . . . . . . . . 5687 1 376 . 1 1 30 30 LEU CA C 13 57.22 0.2 . 1 . . . . . . . . 5687 1 377 . 1 1 30 30 LEU CB C 13 40.17 0.2 . 1 . . . . . . . . 5687 1 378 . 1 1 30 30 LEU CG C 13 26.39 0.2 . 1 . . . . . . . . 5687 1 379 . 1 1 30 30 LEU CD1 C 13 24.87 0.2 . 2 . . . . . . . . 5687 1 380 . 1 1 30 30 LEU CD2 C 13 22.39 0.2 . 2 . . . . . . . . 5687 1 381 . 1 1 30 30 LEU N N 15 121.59 0.2 . 1 . . . . . . . . 5687 1 382 . 1 1 31 31 HIS H H 1 7.84 0.02 . 1 . . . . . . . . 5687 1 383 . 1 1 31 31 HIS HA H 1 4.27 0.02 . 1 . . . . . . . . 5687 1 384 . 1 1 31 31 HIS HB2 H 1 3.29 0.02 . 2 . . . . . . . . 5687 1 385 . 1 1 31 31 HIS HB3 H 1 3.35 0.02 . 2 . . . . . . . . 5687 1 386 . 1 1 31 31 HIS C C 13 176.7 0.2 . 1 . . . . . . . . 5687 1 387 . 1 1 31 31 HIS CA C 13 58.50 0.2 . 1 . . . . . . . . 5687 1 388 . 1 1 31 31 HIS CB C 13 27.74 0.2 . 1 . . . . . . . . 5687 1 389 . 1 1 31 31 HIS N N 15 116.7 0.2 . 1 . . . . . . . . 5687 1 390 . 1 1 32 32 ASP H H 1 7.82 0.02 . 1 . . . . . . . . 5687 1 391 . 1 1 32 32 ASP HA H 1 4.24 0.02 . 1 . . . . . . . . 5687 1 392 . 1 1 32 32 ASP HB2 H 1 2.71 0.02 . 2 . . . . . . . . 5687 1 393 . 1 1 32 32 ASP HB3 H 1 2.81 0.02 . 2 . . . . . . . . 5687 1 394 . 1 1 32 32 ASP C C 13 177.9 0.2 . 1 . . . . . . . . 5687 1 395 . 1 1 32 32 ASP CA C 13 57.17 0.2 . 1 . . . . . . . . 5687 1 396 . 1 1 32 32 ASP CB C 13 40.48 0.2 . 1 . . . . . . . . 5687 1 397 . 1 1 32 32 ASP N N 15 119.01 0.2 . 1 . . . . . . . . 5687 1 398 . 1 1 33 33 VAL H H 1 7.94 0.02 . 1 . . . . . . . . 5687 1 399 . 1 1 33 33 VAL HA H 1 3.68 0.02 . 1 . . . . . . . . 5687 1 400 . 1 1 33 33 VAL HB H 1 1.91 0.02 . 1 . . . . . . . . 5687 1 401 . 1 1 33 33 VAL HG11 H 1 0.84 0.02 . 2 . . . . . . . . 5687 1 402 . 1 1 33 33 VAL HG12 H 1 0.84 0.02 . 2 . . . . . . . . 5687 1 403 . 1 1 33 33 VAL HG13 H 1 0.84 0.02 . 2 . . . . . . . . 5687 1 404 . 1 1 33 33 VAL HG21 H 1 1.06 0.02 . 2 . . . . . . . . 5687 1 405 . 1 1 33 33 VAL HG22 H 1 1.06 0.02 . 2 . . . . . . . . 5687 1 406 . 1 1 33 33 VAL HG23 H 1 1.06 0.02 . 2 . . . . . . . . 5687 1 407 . 1 1 33 33 VAL C C 13 177.2 0.2 . 1 . . . . . . . . 5687 1 408 . 1 1 33 33 VAL CA C 13 66.85 0.2 . 1 . . . . . . . . 5687 1 409 . 1 1 33 33 VAL CB C 13 31.31 0.2 . 1 . . . . . . . . 5687 1 410 . 1 1 33 33 VAL CG1 C 13 21.92 0.2 . 2 . . . . . . . . 5687 1 411 . 1 1 33 33 VAL CG2 C 13 24.03 0.2 . 2 . . . . . . . . 5687 1 412 . 1 1 33 33 VAL N N 15 120.94 0.2 . 1 . . . . . . . . 5687 1 413 . 1 1 34 34 ASP H H 1 8.31 0.02 . 1 . . . . . . . . 5687 1 414 . 1 1 34 34 ASP HA H 1 4.11 0.02 . 1 . . . . . . . . 5687 1 415 . 1 1 34 34 ASP HB2 H 1 2.73 0.02 . 2 . . . . . . . . 5687 1 416 . 1 1 34 34 ASP HB3 H 1 2.64 0.02 . 2 . . . . . . . . 5687 1 417 . 1 1 34 34 ASP C C 13 178.0 0.2 . 1 . . . . . . . . 5687 1 418 . 1 1 34 34 ASP CA C 13 57.22 0.2 . 1 . . . . . . . . 5687 1 419 . 1 1 34 34 ASP CB C 13 40.17 0.2 . 1 . . . . . . . . 5687 1 420 . 1 1 34 34 ASP N N 15 120.15 0.2 . 1 . . . . . . . . 5687 1 421 . 1 1 35 35 ASN H H 1 7.83 0.02 . 1 . . . . . . . . 5687 1 422 . 1 1 35 35 ASN HA H 1 4.28 0.02 . 1 . . . . . . . . 5687 1 423 . 1 1 35 35 ASN HB2 H 1 2.67 0.02 . 2 . . . . . . . . 5687 1 424 . 1 1 35 35 ASN HB3 H 1 2.61 0.02 . 2 . . . . . . . . 5687 1 425 . 1 1 35 35 ASN HD21 H 1 7.44 0.02 . 2 . . . . . . . . 5687 1 426 . 1 1 35 35 ASN HD22 H 1 6.64 0.02 . 2 . . . . . . . . 5687 1 427 . 1 1 35 35 ASN C C 13 177.9 0.2 . 1 . . . . . . . . 5687 1 428 . 1 1 35 35 ASN CA C 13 56.24 0.2 . 1 . . . . . . . . 5687 1 429 . 1 1 35 35 ASN CB C 13 38.31 0.2 . 1 . . . . . . . . 5687 1 430 . 1 1 35 35 ASN N N 15 116.80 0.2 . 1 . . . . . . . . 5687 1 431 . 1 1 35 35 ASN ND2 N 15 111.19 0.2 . 1 . . . . . . . . 5687 1 432 . 1 1 36 36 HIS H H 1 8.27 0.02 . 1 . . . . . . . . 5687 1 433 . 1 1 36 36 HIS HA H 1 4.61 0.02 . 1 . . . . . . . . 5687 1 434 . 1 1 36 36 HIS HB2 H 1 3.23 0.02 . 2 . . . . . . . . 5687 1 435 . 1 1 36 36 HIS HB3 H 1 3.09 0.02 . 2 . . . . . . . . 5687 1 436 . 1 1 36 36 HIS HD2 H 1 7.33 0.02 . 1 . . . . . . . . 5687 1 437 . 1 1 36 36 HIS C C 13 177.5 0.2 . 1 . . . . . . . . 5687 1 438 . 1 1 36 36 HIS CA C 13 58.77 0.2 . 1 . . . . . . . . 5687 1 439 . 1 1 36 36 HIS CB C 13 29.21 0.2 . 1 . . . . . . . . 5687 1 440 . 1 1 36 36 HIS N N 15 117.03 0.2 . 1 . . . . . . . . 5687 1 441 . 1 1 37 37 LEU H H 1 8.93 0.02 . 1 . . . . . . . . 5687 1 442 . 1 1 37 37 LEU HA H 1 4.06 0.02 . 1 . . . . . . . . 5687 1 443 . 1 1 37 37 LEU HB2 H 1 1.62 0.02 . 2 . . . . . . . . 5687 1 444 . 1 1 37 37 LEU HB3 H 1 1.94 0.02 . 2 . . . . . . . . 5687 1 445 . 1 1 37 37 LEU HG H 1 1.79 0.02 . 1 . . . . . . . . 5687 1 446 . 1 1 37 37 LEU HD11 H 1 0.88 0.02 . 2 . . . . . . . . 5687 1 447 . 1 1 37 37 LEU HD12 H 1 0.88 0.02 . 2 . . . . . . . . 5687 1 448 . 1 1 37 37 LEU HD13 H 1 0.88 0.02 . 2 . . . . . . . . 5687 1 449 . 1 1 37 37 LEU HD21 H 1 0.94 0.02 . 2 . . . . . . . . 5687 1 450 . 1 1 37 37 LEU HD22 H 1 0.94 0.02 . 2 . . . . . . . . 5687 1 451 . 1 1 37 37 LEU HD23 H 1 0.94 0.02 . 2 . . . . . . . . 5687 1 452 . 1 1 37 37 LEU C C 13 178.3 0.2 . 1 . . . . . . . . 5687 1 453 . 1 1 37 37 LEU CA C 13 58.43 0.2 . 1 . . . . . . . . 5687 1 454 . 1 1 37 37 LEU CB C 13 41.87 0.2 . 1 . . . . . . . . 5687 1 455 . 1 1 37 37 LEU CG C 13 27.53 0.2 . 1 . . . . . . . . 5687 1 456 . 1 1 37 37 LEU CD1 C 13 25.28 0.2 . 2 . . . . . . . . 5687 1 457 . 1 1 37 37 LEU CD2 C 13 25.60 0.2 . 2 . . . . . . . . 5687 1 458 . 1 1 37 37 LEU N N 15 120.44 0.2 . 1 . . . . . . . . 5687 1 459 . 1 1 38 38 GLN H H 1 8.38 0.02 . 1 . . . . . . . . 5687 1 460 . 1 1 38 38 GLN HA H 1 3.99 0.02 . 1 . . . . . . . . 5687 1 461 . 1 1 38 38 GLN HB2 H 1 2.17 0.02 . 1 . . . . . . . . 5687 1 462 . 1 1 38 38 GLN HB3 H 1 2.17 0.02 . 1 . . . . . . . . 5687 1 463 . 1 1 38 38 GLN HG2 H 1 2.36 0.02 . 2 . . . . . . . . 5687 1 464 . 1 1 38 38 GLN HG3 H 1 2.56 0.02 . 2 . . . . . . . . 5687 1 465 . 1 1 38 38 GLN HE21 H 1 6.72 0.02 . 2 . . . . . . . . 5687 1 466 . 1 1 38 38 GLN HE22 H 1 7.41 0.02 . 2 . . . . . . . . 5687 1 467 . 1 1 38 38 GLN C C 13 178.9 0.2 . 1 . . . . . . . . 5687 1 468 . 1 1 38 38 GLN CA C 13 59.66 0.2 . 1 . . . . . . . . 5687 1 469 . 1 1 38 38 GLN CB C 13 28.06 0.2 . 1 . . . . . . . . 5687 1 470 . 1 1 38 38 GLN CG C 13 34.39 0.2 . 1 . . . . . . . . 5687 1 471 . 1 1 38 38 GLN N N 15 118.18 0.2 . 1 . . . . . . . . 5687 1 472 . 1 1 38 38 GLN NE2 N 15 111.90 0.2 . 1 . . . . . . . . 5687 1 473 . 1 1 39 39 ASN H H 1 8.04 0.02 . 1 . . . . . . . . 5687 1 474 . 1 1 39 39 ASN HA H 1 4.45 0.02 . 1 . . . . . . . . 5687 1 475 . 1 1 39 39 ASN HB2 H 1 2.92 0.02 . 2 . . . . . . . . 5687 1 476 . 1 1 39 39 ASN HB3 H 1 3.16 0.02 . 2 . . . . . . . . 5687 1 477 . 1 1 39 39 ASN HD21 H 1 8.19 0.02 . 2 . . . . . . . . 5687 1 478 . 1 1 39 39 ASN HD22 H 1 6.69 0.02 . 2 . . . . . . . . 5687 1 479 . 1 1 39 39 ASN C C 13 178.0 0.2 . 1 . . . . . . . . 5687 1 480 . 1 1 39 39 ASN CA C 13 56.22 0.2 . 1 . . . . . . . . 5687 1 481 . 1 1 39 39 ASN CB C 13 37.92 0.2 . 1 . . . . . . . . 5687 1 482 . 1 1 39 39 ASN N N 15 118.90 0.2 . 1 . . . . . . . . 5687 1 483 . 1 1 39 39 ASN ND2 N 15 112.40 0.2 . 1 . . . . . . . . 5687 1 484 . 1 1 40 40 VAL H H 1 8.15 0.02 . 1 . . . . . . . . 5687 1 485 . 1 1 40 40 VAL HA H 1 3.73 0.02 . 1 . . . . . . . . 5687 1 486 . 1 1 40 40 VAL HB H 1 2.23 0.02 . 1 . . . . . . . . 5687 1 487 . 1 1 40 40 VAL HG11 H 1 0.70 0.02 . 2 . . . . . . . . 5687 1 488 . 1 1 40 40 VAL HG12 H 1 0.70 0.02 . 2 . . . . . . . . 5687 1 489 . 1 1 40 40 VAL HG13 H 1 0.70 0.02 . 2 . . . . . . . . 5687 1 490 . 1 1 40 40 VAL HG21 H 1 1.06 0.02 . 2 . . . . . . . . 5687 1 491 . 1 1 40 40 VAL HG22 H 1 1.06 0.02 . 2 . . . . . . . . 5687 1 492 . 1 1 40 40 VAL HG23 H 1 1.06 0.02 . 2 . . . . . . . . 5687 1 493 . 1 1 40 40 VAL C C 13 177.8 0.2 . 1 . . . . . . . . 5687 1 494 . 1 1 40 40 VAL CA C 13 67.10 0.2 . 1 . . . . . . . . 5687 1 495 . 1 1 40 40 VAL CB C 13 31.60 0.2 . 1 . . . . . . . . 5687 1 496 . 1 1 40 40 VAL CG1 C 13 21.80 0.2 . 2 . . . . . . . . 5687 1 497 . 1 1 40 40 VAL CG2 C 13 22.99 0.2 . 2 . . . . . . . . 5687 1 498 . 1 1 40 40 VAL N N 15 120.13 0.2 . 1 . . . . . . . . 5687 1 499 . 1 1 41 41 ILE H H 1 8.18 0.02 . 1 . . . . . . . . 5687 1 500 . 1 1 41 41 ILE HA H 1 3.39 0.02 . 1 . . . . . . . . 5687 1 501 . 1 1 41 41 ILE HB H 1 1.95 0.02 . 1 . . . . . . . . 5687 1 502 . 1 1 41 41 ILE HG12 H 1 0.84 0.02 . 2 . . . . . . . . 5687 1 503 . 1 1 41 41 ILE HG13 H 1 0.77 0.02 . 2 . . . . . . . . 5687 1 504 . 1 1 41 41 ILE HG21 H 1 0.88 0.02 . 1 . . . . . . . . 5687 1 505 . 1 1 41 41 ILE HG22 H 1 0.88 0.02 . 1 . . . . . . . . 5687 1 506 . 1 1 41 41 ILE HG23 H 1 0.88 0.02 . 1 . . . . . . . . 5687 1 507 . 1 1 41 41 ILE HD11 H 1 0.76 0.02 . 1 . . . . . . . . 5687 1 508 . 1 1 41 41 ILE HD12 H 1 0.76 0.02 . 1 . . . . . . . . 5687 1 509 . 1 1 41 41 ILE HD13 H 1 0.76 0.02 . 1 . . . . . . . . 5687 1 510 . 1 1 41 41 ILE C C 13 178.9 0.2 . 1 . . . . . . . . 5687 1 511 . 1 1 41 41 ILE CA C 13 66.54 0.2 . 1 . . . . . . . . 5687 1 512 . 1 1 41 41 ILE CB C 13 38.29 0.2 . 1 . . . . . . . . 5687 1 513 . 1 1 41 41 ILE CG1 C 13 31.44 0.2 . 1 . . . . . . . . 5687 1 514 . 1 1 41 41 ILE CG2 C 13 17.14 0.2 . 1 . . . . . . . . 5687 1 515 . 1 1 41 41 ILE CD1 C 13 14.08 0.2 . 1 . . . . . . . . 5687 1 516 . 1 1 41 41 ILE N N 15 120.93 0.2 . 1 . . . . . . . . 5687 1 517 . 1 1 42 42 GLU H H 1 8.19 0.02 . 1 . . . . . . . . 5687 1 518 . 1 1 42 42 GLU HA H 1 4.12 0.02 . 1 . . . . . . . . 5687 1 519 . 1 1 42 42 GLU HB2 H 1 2.21 0.02 . 1 . . . . . . . . 5687 1 520 . 1 1 42 42 GLU HB3 H 1 2.21 0.02 . 1 . . . . . . . . 5687 1 521 . 1 1 42 42 GLU HG2 H 1 2.55 0.02 . 2 . . . . . . . . 5687 1 522 . 1 1 42 42 GLU HG3 H 1 2.41 0.02 . 2 . . . . . . . . 5687 1 523 . 1 1 42 42 GLU C C 13 178.9 0.2 . 1 . . . . . . . . 5687 1 524 . 1 1 42 42 GLU CA C 13 59.22 0.2 . 1 . . . . . . . . 5687 1 525 . 1 1 42 42 GLU CB C 13 27.95 0.2 . 1 . . . . . . . . 5687 1 526 . 1 1 42 42 GLU CG C 13 33.96 0.2 . 1 . . . . . . . . 5687 1 527 . 1 1 42 42 GLU N N 15 119.90 0.2 . 1 . . . . . . . . 5687 1 528 . 1 1 43 43 ASP H H 1 8.58 0.02 . 1 . . . . . . . . 5687 1 529 . 1 1 43 43 ASP HA H 1 4.46 0.02 . 1 . . . . . . . . 5687 1 530 . 1 1 43 43 ASP HB2 H 1 3.31 0.02 . 2 . . . . . . . . 5687 1 531 . 1 1 43 43 ASP HB3 H 1 2.84 0.02 . 2 . . . . . . . . 5687 1 532 . 1 1 43 43 ASP C C 13 178.3 0.2 . 1 . . . . . . . . 5687 1 533 . 1 1 43 43 ASP CA C 13 56.28 0.2 . 1 . . . . . . . . 5687 1 534 . 1 1 43 43 ASP CB C 13 37.72 0.2 . 1 . . . . . . . . 5687 1 535 . 1 1 43 43 ASP N N 15 120.0 0.2 . 1 . . . . . . . . 5687 1 536 . 1 1 44 44 ILE H H 1 8.61 0.02 . 1 . . . . . . . . 5687 1 537 . 1 1 44 44 ILE HA H 1 3.58 0.02 . 1 . . . . . . . . 5687 1 538 . 1 1 44 44 ILE HB H 1 2.01 0.02 . 1 . . . . . . . . 5687 1 539 . 1 1 44 44 ILE HG12 H 1 0.82 0.02 . 2 . . . . . . . . 5687 1 540 . 1 1 44 44 ILE HG13 H 1 0.66 0.02 . 2 . . . . . . . . 5687 1 541 . 1 1 44 44 ILE HG21 H 1 0.89 0.02 . 1 . . . . . . . . 5687 1 542 . 1 1 44 44 ILE HG22 H 1 0.89 0.02 . 1 . . . . . . . . 5687 1 543 . 1 1 44 44 ILE HG23 H 1 0.89 0.02 . 1 . . . . . . . . 5687 1 544 . 1 1 44 44 ILE HD11 H 1 0.66 0.02 . 1 . . . . . . . . 5687 1 545 . 1 1 44 44 ILE HD12 H 1 0.66 0.02 . 1 . . . . . . . . 5687 1 546 . 1 1 44 44 ILE HD13 H 1 0.66 0.02 . 1 . . . . . . . . 5687 1 547 . 1 1 44 44 ILE C C 13 178.2 0.2 . 1 . . . . . . . . 5687 1 548 . 1 1 44 44 ILE CA C 13 66.51 0.2 . 1 . . . . . . . . 5687 1 549 . 1 1 44 44 ILE CB C 13 37.37 0.2 . 1 . . . . . . . . 5687 1 550 . 1 1 44 44 ILE CG1 C 13 29.92 0.2 . 1 . . . . . . . . 5687 1 551 . 1 1 44 44 ILE CG2 C 13 18.61 0.2 . 1 . . . . . . . . 5687 1 552 . 1 1 44 44 ILE CD1 C 13 14.34 0.2 . 1 . . . . . . . . 5687 1 553 . 1 1 44 44 ILE N N 15 121.38 0.2 . 1 . . . . . . . . 5687 1 554 . 1 1 45 45 HIS H H 1 8.32 0.02 . 1 . . . . . . . . 5687 1 555 . 1 1 45 45 HIS HA H 1 4.37 0.02 . 1 . . . . . . . . 5687 1 556 . 1 1 45 45 HIS HB2 H 1 3.48 0.02 . 2 . . . . . . . . 5687 1 557 . 1 1 45 45 HIS HB3 H 1 3.40 0.02 . 2 . . . . . . . . 5687 1 558 . 1 1 45 45 HIS HD2 H 1 7.33 0.02 . 1 . . . . . . . . 5687 1 559 . 1 1 45 45 HIS C C 13 177.4 0.2 . 1 . . . . . . . . 5687 1 560 . 1 1 45 45 HIS CA C 13 59.63 0.2 . 1 . . . . . . . . 5687 1 561 . 1 1 45 45 HIS CB C 13 27.87 0.2 . 1 . . . . . . . . 5687 1 562 . 1 1 45 45 HIS N N 15 118.40 0.2 . 1 . . . . . . . . 5687 1 563 . 1 1 46 46 ASP H H 1 8.66 0.02 . 1 . . . . . . . . 5687 1 564 . 1 1 46 46 ASP HA H 1 4.42 0.02 . 1 . . . . . . . . 5687 1 565 . 1 1 46 46 ASP HB2 H 1 3.04 0.02 . 2 . . . . . . . . 5687 1 566 . 1 1 46 46 ASP HB3 H 1 2.74 0.02 . 2 . . . . . . . . 5687 1 567 . 1 1 46 46 ASP C C 13 179.3 0.2 . 1 . . . . . . . . 5687 1 568 . 1 1 46 46 ASP CA C 13 57.02 0.2 . 1 . . . . . . . . 5687 1 569 . 1 1 46 46 ASP CB C 13 39.17 0.2 . 1 . . . . . . . . 5687 1 570 . 1 1 46 46 ASP N N 15 119.50 0.2 . 1 . . . . . . . . 5687 1 571 . 1 1 47 47 PHE H H 1 8.47 0.02 . 1 . . . . . . . . 5687 1 572 . 1 1 47 47 PHE HA H 1 4.11 0.02 . 1 . . . . . . . . 5687 1 573 . 1 1 47 47 PHE HB2 H 1 3.24 0.02 . 2 . . . . . . . . 5687 1 574 . 1 1 47 47 PHE HB3 H 1 3.01 0.02 . 2 . . . . . . . . 5687 1 575 . 1 1 47 47 PHE HD1 H 1 7.19 0.02 . 1 . . . . . . . . 5687 1 576 . 1 1 47 47 PHE HD2 H 1 7.19 0.02 . 1 . . . . . . . . 5687 1 577 . 1 1 47 47 PHE HE1 H 1 7.44 0.02 . 1 . . . . . . . . 5687 1 578 . 1 1 47 47 PHE HE2 H 1 7.44 0.02 . 1 . . . . . . . . 5687 1 579 . 1 1 47 47 PHE C C 13 179.6 0.2 . 1 . . . . . . . . 5687 1 580 . 1 1 47 47 PHE CA C 13 61.28 0.2 . 1 . . . . . . . . 5687 1 581 . 1 1 47 47 PHE CB C 13 39.39 0.2 . 1 . . . . . . . . 5687 1 582 . 1 1 47 47 PHE N N 15 120.74 0.2 . 1 . . . . . . . . 5687 1 583 . 1 1 48 48 MET H H 1 8.46 0.02 . 1 . . . . . . . . 5687 1 584 . 1 1 48 48 MET HA H 1 4.08 0.02 . 1 . . . . . . . . 5687 1 585 . 1 1 48 48 MET HB2 H 1 2.27 0.02 . 1 . . . . . . . . 5687 1 586 . 1 1 48 48 MET HB3 H 1 2.27 0.02 . 1 . . . . . . . . 5687 1 587 . 1 1 48 48 MET HG2 H 1 2.50 0.02 . 2 . . . . . . . . 5687 1 588 . 1 1 48 48 MET HG3 H 1 2.78 0.02 . 2 . . . . . . . . 5687 1 589 . 1 1 48 48 MET C C 13 177.3 0.2 . 1 . . . . . . . . 5687 1 590 . 1 1 48 48 MET CA C 13 58.98 0.2 . 1 . . . . . . . . 5687 1 591 . 1 1 48 48 MET CB C 13 33.60 0.2 . 1 . . . . . . . . 5687 1 592 . 1 1 48 48 MET CG C 13 32.70 0.2 . 1 . . . . . . . . 5687 1 593 . 1 1 48 48 MET N N 15 118.42 0.2 . 1 . . . . . . . . 5687 1 594 . 1 1 49 49 GLN H H 1 7.67 0.02 . 1 . . . . . . . . 5687 1 595 . 1 1 49 49 GLN HA H 1 4.44 0.02 . 1 . . . . . . . . 5687 1 596 . 1 1 49 49 GLN HB2 H 1 2.28 0.02 . 2 . . . . . . . . 5687 1 597 . 1 1 49 49 GLN HB3 H 1 2.09 0.02 . 2 . . . . . . . . 5687 1 598 . 1 1 49 49 GLN HG2 H 1 2.44 0.02 . 1 . . . . . . . . 5687 1 599 . 1 1 49 49 GLN HG3 H 1 2.44 0.02 . 1 . . . . . . . . 5687 1 600 . 1 1 49 49 GLN HE21 H 1 7.46 0.02 . 2 . . . . . . . . 5687 1 601 . 1 1 49 49 GLN HE22 H 1 6.88 0.02 . 2 . . . . . . . . 5687 1 602 . 1 1 49 49 GLN C C 13 176.7 0.2 . 1 . . . . . . . . 5687 1 603 . 1 1 49 49 GLN CA C 13 55.94 0.2 . 1 . . . . . . . . 5687 1 604 . 1 1 49 49 GLN CB C 13 29.08 0.2 . 1 . . . . . . . . 5687 1 605 . 1 1 49 49 GLN CG C 13 33.96 0.2 . 1 . . . . . . . . 5687 1 606 . 1 1 49 49 GLN N N 15 116.46 0.2 . 1 . . . . . . . . 5687 1 607 . 1 1 49 49 GLN NE2 N 15 112.10 0.2 . 1 . . . . . . . . 5687 1 608 . 1 1 50 50 GLY H H 1 7.75 0.02 . 1 . . . . . . . . 5687 1 609 . 1 1 50 50 GLY HA2 H 1 4.21 0.02 . 2 . . . . . . . . 5687 1 610 . 1 1 50 50 GLY HA3 H 1 4.04 0.02 . 2 . . . . . . . . 5687 1 611 . 1 1 50 50 GLY C C 13 175.1 0.2 . 1 . . . . . . . . 5687 1 612 . 1 1 50 50 GLY CA C 13 45.95 0.2 . 1 . . . . . . . . 5687 1 613 . 1 1 50 50 GLY N N 15 106.78 0.2 . 1 . . . . . . . . 5687 1 614 . 1 1 51 51 GLY H H 1 8.18 0.02 . 1 . . . . . . . . 5687 1 615 . 1 1 51 51 GLY HA2 H 1 4.07 0.02 . 2 . . . . . . . . 5687 1 616 . 1 1 51 51 GLY HA3 H 1 3.77 0.02 . 2 . . . . . . . . 5687 1 617 . 1 1 51 51 GLY C C 13 174.1 0.2 . 1 . . . . . . . . 5687 1 618 . 1 1 51 51 GLY CA C 13 45.08 0.2 . 1 . . . . . . . . 5687 1 619 . 1 1 51 51 GLY N N 15 109.05 0.2 . 1 . . . . . . . . 5687 1 620 . 1 1 52 52 GLY H H 1 8.18 0.02 . 1 . . . . . . . . 5687 1 621 . 1 1 52 52 GLY HA2 H 1 3.22 0.02 . 2 . . . . . . . . 5687 1 622 . 1 1 52 52 GLY HA3 H 1 3.10 0.02 . 2 . . . . . . . . 5687 1 623 . 1 1 52 52 GLY C C 13 172.3 0.2 . 1 . . . . . . . . 5687 1 624 . 1 1 52 52 GLY CA C 13 44.50 0.2 . 1 . . . . . . . . 5687 1 625 . 1 1 52 52 GLY N N 15 107.70 0.2 . 1 . . . . . . . . 5687 1 626 . 1 1 53 53 SER H H 1 7.28 0.02 . 1 . . . . . . . . 5687 1 627 . 1 1 53 53 SER HA H 1 4.72 0.02 . 1 . . . . . . . . 5687 1 628 . 1 1 53 53 SER HB2 H 1 4.01 0.02 . 2 . . . . . . . . 5687 1 629 . 1 1 53 53 SER HB3 H 1 4.18 0.02 . 2 . . . . . . . . 5687 1 630 . 1 1 53 53 SER C C 13 175.3 0.2 . 1 . . . . . . . . 5687 1 631 . 1 1 53 53 SER CA C 13 57.25 0.2 . 1 . . . . . . . . 5687 1 632 . 1 1 53 53 SER CB C 13 65.84 0.2 . 1 . . . . . . . . 5687 1 633 . 1 1 53 53 SER N N 15 112.94 0.2 . 1 . . . . . . . . 5687 1 634 . 1 1 54 54 GLY H H 1 9.40 0.02 . 1 . . . . . . . . 5687 1 635 . 1 1 54 54 GLY HA2 H 1 4.13 0.02 . 2 . . . . . . . . 5687 1 636 . 1 1 54 54 GLY HA3 H 1 3.91 0.02 . 2 . . . . . . . . 5687 1 637 . 1 1 54 54 GLY C C 13 177.1 0.2 . 1 . . . . . . . . 5687 1 638 . 1 1 54 54 GLY CA C 13 47.60 0.2 . 1 . . . . . . . . 5687 1 639 . 1 1 54 54 GLY N N 15 110.80 0.2 . 1 . . . . . . . . 5687 1 640 . 1 1 55 55 GLY H H 1 8.77 0.02 . 1 . . . . . . . . 5687 1 641 . 1 1 55 55 GLY HA2 H 1 3.97 0.02 . 1 . . . . . . . . 5687 1 642 . 1 1 55 55 GLY HA3 H 1 3.97 0.02 . 1 . . . . . . . . 5687 1 643 . 1 1 55 55 GLY C C 13 176.9 0.2 . 1 . . . . . . . . 5687 1 644 . 1 1 55 55 GLY CA C 13 47.19 0.2 . 1 . . . . . . . . 5687 1 645 . 1 1 55 55 GLY N N 15 110.39 0.2 . 1 . . . . . . . . 5687 1 646 . 1 1 56 56 LYS H H 1 7.88 0.02 . 1 . . . . . . . . 5687 1 647 . 1 1 56 56 LYS HA H 1 4.25 0.02 . 1 . . . . . . . . 5687 1 648 . 1 1 56 56 LYS HB2 H 1 1.96 0.02 . 1 . . . . . . . . 5687 1 649 . 1 1 56 56 LYS HB3 H 1 1.96 0.02 . 1 . . . . . . . . 5687 1 650 . 1 1 56 56 LYS HG2 H 1 1.57 0.02 . 1 . . . . . . . . 5687 1 651 . 1 1 56 56 LYS HG3 H 1 1.57 0.02 . 1 . . . . . . . . 5687 1 652 . 1 1 56 56 LYS HD2 H 1 1.71 0.02 . 1 . . . . . . . . 5687 1 653 . 1 1 56 56 LYS HD3 H 1 1.71 0.02 . 1 . . . . . . . . 5687 1 654 . 1 1 56 56 LYS HE2 H 1 2.96 0.02 . 1 . . . . . . . . 5687 1 655 . 1 1 56 56 LYS HE3 H 1 2.96 0.02 . 1 . . . . . . . . 5687 1 656 . 1 1 56 56 LYS C C 13 178.9 0.2 . 1 . . . . . . . . 5687 1 657 . 1 1 56 56 LYS CA C 13 58.38 0.2 . 1 . . . . . . . . 5687 1 658 . 1 1 56 56 LYS CB C 13 32.34 0.2 . 1 . . . . . . . . 5687 1 659 . 1 1 56 56 LYS CG C 13 25.25 0.2 . 1 . . . . . . . . 5687 1 660 . 1 1 56 56 LYS CD C 13 28.91 0.2 . 1 . . . . . . . . 5687 1 661 . 1 1 56 56 LYS CE C 13 41.98 0.2 . 1 . . . . . . . . 5687 1 662 . 1 1 56 56 LYS N N 15 122.81 0.2 . 1 . . . . . . . . 5687 1 663 . 1 1 57 57 LEU H H 1 8.25 0.02 . 1 . . . . . . . . 5687 1 664 . 1 1 57 57 LEU HA H 1 4.15 0.02 . 1 . . . . . . . . 5687 1 665 . 1 1 57 57 LEU HB2 H 1 1.62 0.02 . 2 . . . . . . . . 5687 1 666 . 1 1 57 57 LEU HB3 H 1 2.09 0.02 . 2 . . . . . . . . 5687 1 667 . 1 1 57 57 LEU HG H 1 1.58 0.02 . 1 . . . . . . . . 5687 1 668 . 1 1 57 57 LEU HD11 H 1 0.67 0.02 . 2 . . . . . . . . 5687 1 669 . 1 1 57 57 LEU HD12 H 1 0.67 0.02 . 2 . . . . . . . . 5687 1 670 . 1 1 57 57 LEU HD13 H 1 0.67 0.02 . 2 . . . . . . . . 5687 1 671 . 1 1 57 57 LEU HD21 H 1 0.72 0.02 . 2 . . . . . . . . 5687 1 672 . 1 1 57 57 LEU HD22 H 1 0.72 0.02 . 2 . . . . . . . . 5687 1 673 . 1 1 57 57 LEU HD23 H 1 0.72 0.02 . 2 . . . . . . . . 5687 1 674 . 1 1 57 57 LEU C C 13 178.5 0.2 . 1 . . . . . . . . 5687 1 675 . 1 1 57 57 LEU CA C 13 58.22 0.2 . 1 . . . . . . . . 5687 1 676 . 1 1 57 57 LEU CB C 13 41.40 0.2 . 1 . . . . . . . . 5687 1 677 . 1 1 57 57 LEU CG C 13 27.30 0.2 . 1 . . . . . . . . 5687 1 678 . 1 1 57 57 LEU CD1 C 13 24.48 0.2 . 2 . . . . . . . . 5687 1 679 . 1 1 57 57 LEU CD2 C 13 25.70 0.2 . 2 . . . . . . . . 5687 1 680 . 1 1 57 57 LEU N N 15 120.70 0.2 . 1 . . . . . . . . 5687 1 681 . 1 1 58 58 GLN H H 1 8.03 0.02 . 1 . . . . . . . . 5687 1 682 . 1 1 58 58 GLN HA H 1 4.02 0.02 . 1 . . . . . . . . 5687 1 683 . 1 1 58 58 GLN HB2 H 1 2.22 0.02 . 1 . . . . . . . . 5687 1 684 . 1 1 58 58 GLN HB3 H 1 2.22 0.02 . 1 . . . . . . . . 5687 1 685 . 1 1 58 58 GLN HG2 H 1 2.49 0.02 . 1 . . . . . . . . 5687 1 686 . 1 1 58 58 GLN HG3 H 1 2.49 0.02 . 1 . . . . . . . . 5687 1 687 . 1 1 58 58 GLN HE21 H 1 7.51 0.02 . 2 . . . . . . . . 5687 1 688 . 1 1 58 58 GLN HE22 H 1 6.88 0.02 . 2 . . . . . . . . 5687 1 689 . 1 1 58 58 GLN C C 13 179.4 0.2 . 1 . . . . . . . . 5687 1 690 . 1 1 58 58 GLN CA C 13 59.28 0.2 . 1 . . . . . . . . 5687 1 691 . 1 1 58 58 GLN CB C 13 28.27 0.2 . 1 . . . . . . . . 5687 1 692 . 1 1 58 58 GLN CG C 13 33.96 0.2 . 1 . . . . . . . . 5687 1 693 . 1 1 58 58 GLN N N 15 117.60 0.2 . 1 . . . . . . . . 5687 1 694 . 1 1 58 58 GLN NE2 N 15 112.10 0.2 . 1 . . . . . . . . 5687 1 695 . 1 1 59 59 GLU H H 1 7.89 0.02 . 1 . . . . . . . . 5687 1 696 . 1 1 59 59 GLU HA H 1 4.09 0.02 . 1 . . . . . . . . 5687 1 697 . 1 1 59 59 GLU HB2 H 1 2.22 0.02 . 1 . . . . . . . . 5687 1 698 . 1 1 59 59 GLU HB3 H 1 2.22 0.02 . 1 . . . . . . . . 5687 1 699 . 1 1 59 59 GLU HG2 H 1 2.45 0.02 . 2 . . . . . . . . 5687 1 700 . 1 1 59 59 GLU HG3 H 1 2.53 0.02 . 2 . . . . . . . . 5687 1 701 . 1 1 59 59 GLU C C 13 178.9 0.2 . 1 . . . . . . . . 5687 1 702 . 1 1 59 59 GLU CA C 13 59.29 0.2 . 1 . . . . . . . . 5687 1 703 . 1 1 59 59 GLU CB C 13 28.87 0.2 . 1 . . . . . . . . 5687 1 704 . 1 1 59 59 GLU CG C 13 34.82 0.2 . 1 . . . . . . . . 5687 1 705 . 1 1 59 59 GLU N N 15 120.01 0.2 . 1 . . . . . . . . 5687 1 706 . 1 1 60 60 MET H H 1 8.58 0.02 . 1 . . . . . . . . 5687 1 707 . 1 1 60 60 MET HA H 1 4.09 0.02 . 1 . . . . . . . . 5687 1 708 . 1 1 60 60 MET HB2 H 1 2.34 0.02 . 1 . . . . . . . . 5687 1 709 . 1 1 60 60 MET HB3 H 1 2.34 0.02 . 1 . . . . . . . . 5687 1 710 . 1 1 60 60 MET HG2 H 1 2.50 0.02 . 2 . . . . . . . . 5687 1 711 . 1 1 60 60 MET HG3 H 1 2.72 0.02 . 2 . . . . . . . . 5687 1 712 . 1 1 60 60 MET C C 13 178.9 0.2 . 1 . . . . . . . . 5687 1 713 . 1 1 60 60 MET CA C 13 59.47 0.2 . 1 . . . . . . . . 5687 1 714 . 1 1 60 60 MET CB C 13 33.52 0.2 . 1 . . . . . . . . 5687 1 715 . 1 1 60 60 MET CG C 13 31.99 0.2 . 1 . . . . . . . . 5687 1 716 . 1 1 60 60 MET N N 15 120.55 0.2 . 1 . . . . . . . . 5687 1 717 . 1 1 61 61 MET H H 1 8.37 0.02 . 1 . . . . . . . . 5687 1 718 . 1 1 61 61 MET HA H 1 4.16 0.02 . 1 . . . . . . . . 5687 1 719 . 1 1 61 61 MET HB2 H 1 2.05 0.02 . 2 . . . . . . . . 5687 1 720 . 1 1 61 61 MET HB3 H 1 1.98 0.02 . 2 . . . . . . . . 5687 1 721 . 1 1 61 61 MET HG2 H 1 2.43 0.02 . 1 . . . . . . . . 5687 1 722 . 1 1 61 61 MET HG3 H 1 2.43 0.02 . 1 . . . . . . . . 5687 1 723 . 1 1 61 61 MET C C 13 179.1 0.2 . 1 . . . . . . . . 5687 1 724 . 1 1 61 61 MET CA C 13 58.69 0.2 . 1 . . . . . . . . 5687 1 725 . 1 1 61 61 MET CB C 13 31.94 0.2 . 1 . . . . . . . . 5687 1 726 . 1 1 61 61 MET CG C 13 32.2 0.2 . 1 . . . . . . . . 5687 1 727 . 1 1 61 61 MET N N 15 117.76 0.2 . 1 . . . . . . . . 5687 1 728 . 1 1 62 62 LYS H H 1 7.74 0.02 . 1 . . . . . . . . 5687 1 729 . 1 1 62 62 LYS HA H 1 4.13 0.02 . 1 . . . . . . . . 5687 1 730 . 1 1 62 62 LYS HB2 H 1 1.96 0.02 . 1 . . . . . . . . 5687 1 731 . 1 1 62 62 LYS HB3 H 1 1.96 0.02 . 1 . . . . . . . . 5687 1 732 . 1 1 62 62 LYS HG2 H 1 1.57 0.02 . 1 . . . . . . . . 5687 1 733 . 1 1 62 62 LYS HG3 H 1 1.57 0.02 . 1 . . . . . . . . 5687 1 734 . 1 1 62 62 LYS HD2 H 1 1.70 0.02 . 1 . . . . . . . . 5687 1 735 . 1 1 62 62 LYS HD3 H 1 1.70 0.02 . 1 . . . . . . . . 5687 1 736 . 1 1 62 62 LYS HE2 H 1 2.96 0.02 . 1 . . . . . . . . 5687 1 737 . 1 1 62 62 LYS HE3 H 1 2.96 0.02 . 1 . . . . . . . . 5687 1 738 . 1 1 62 62 LYS C C 13 179.4 0.2 . 1 . . . . . . . . 5687 1 739 . 1 1 62 62 LYS CA C 13 59.37 0.2 . 1 . . . . . . . . 5687 1 740 . 1 1 62 62 LYS CB C 13 32.35 0.2 . 1 . . . . . . . . 5687 1 741 . 1 1 62 62 LYS CG C 13 24.94 0.2 . 1 . . . . . . . . 5687 1 742 . 1 1 62 62 LYS CD C 13 29.40 0.2 . 1 . . . . . . . . 5687 1 743 . 1 1 62 62 LYS CE C 13 42.16 0.2 . 1 . . . . . . . . 5687 1 744 . 1 1 62 62 LYS N N 15 120.86 0.2 . 1 . . . . . . . . 5687 1 745 . 1 1 63 63 GLU H H 1 8.22 0.02 . 1 . . . . . . . . 5687 1 746 . 1 1 63 63 GLU HA H 1 4.07 0.02 . 1 . . . . . . . . 5687 1 747 . 1 1 63 63 GLU HB2 H 1 2.16 0.02 . 1 . . . . . . . . 5687 1 748 . 1 1 63 63 GLU HB3 H 1 2.16 0.02 . 1 . . . . . . . . 5687 1 749 . 1 1 63 63 GLU HG2 H 1 2.47 0.02 . 2 . . . . . . . . 5687 1 750 . 1 1 63 63 GLU HG3 H 1 2.38 0.02 . 2 . . . . . . . . 5687 1 751 . 1 1 63 63 GLU C C 13 179.0 0.2 . 1 . . . . . . . . 5687 1 752 . 1 1 63 63 GLU CA C 13 59.38 0.2 . 1 . . . . . . . . 5687 1 753 . 1 1 63 63 GLU CB C 13 29.25 0.2 . 1 . . . . . . . . 5687 1 754 . 1 1 63 63 GLU CG C 13 35.63 0.2 . 1 . . . . . . . . 5687 1 755 . 1 1 63 63 GLU N N 15 120.38 0.2 . 1 . . . . . . . . 5687 1 756 . 1 1 64 64 PHE H H 1 9.00 0.02 . 1 . . . . . . . . 5687 1 757 . 1 1 64 64 PHE HA H 1 4.28 0.02 . 1 . . . . . . . . 5687 1 758 . 1 1 64 64 PHE HB2 H 1 3.40 0.02 . 2 . . . . . . . . 5687 1 759 . 1 1 64 64 PHE HB3 H 1 3.30 0.02 . 2 . . . . . . . . 5687 1 760 . 1 1 64 64 PHE HD1 H 1 7.28 0.02 . 1 . . . . . . . . 5687 1 761 . 1 1 64 64 PHE HD2 H 1 7.28 0.02 . 1 . . . . . . . . 5687 1 762 . 1 1 64 64 PHE HE1 H 1 7.16 0.02 . 1 . . . . . . . . 5687 1 763 . 1 1 64 64 PHE HE2 H 1 7.16 0.02 . 1 . . . . . . . . 5687 1 764 . 1 1 64 64 PHE HZ H 1 7.05 0.02 . 1 . . . . . . . . 5687 1 765 . 1 1 64 64 PHE C C 13 177.7 0.2 . 1 . . . . . . . . 5687 1 766 . 1 1 64 64 PHE CA C 13 60.07 0.2 . 1 . . . . . . . . 5687 1 767 . 1 1 64 64 PHE CB C 13 39.11 0.2 . 1 . . . . . . . . 5687 1 768 . 1 1 64 64 PHE N N 15 119.58 0.2 . 1 . . . . . . . . 5687 1 769 . 1 1 65 65 GLN H H 1 8.19 0.02 . 1 . . . . . . . . 5687 1 770 . 1 1 65 65 GLN HA H 1 3.83 0.02 . 1 . . . . . . . . 5687 1 771 . 1 1 65 65 GLN HB2 H 1 2.27 0.02 . 2 . . . . . . . . 5687 1 772 . 1 1 65 65 GLN HB3 H 1 2.19 0.02 . 2 . . . . . . . . 5687 1 773 . 1 1 65 65 GLN HG2 H 1 2.41 0.02 . 2 . . . . . . . . 5687 1 774 . 1 1 65 65 GLN HG3 H 1 2.46 0.02 . 2 . . . . . . . . 5687 1 775 . 1 1 65 65 GLN HE21 H 1 7.51 0.02 . 2 . . . . . . . . 5687 1 776 . 1 1 65 65 GLN HE22 H 1 6.81 0.02 . 2 . . . . . . . . 5687 1 777 . 1 1 65 65 GLN C C 13 177.9 0.2 . 1 . . . . . . . . 5687 1 778 . 1 1 65 65 GLN CA C 13 59.05 0.2 . 1 . . . . . . . . 5687 1 779 . 1 1 65 65 GLN CB C 13 28.30 0.2 . 1 . . . . . . . . 5687 1 780 . 1 1 65 65 GLN CG C 13 33.97 0.2 . 1 . . . . . . . . 5687 1 781 . 1 1 65 65 GLN N N 15 118.17 0.2 . 1 . . . . . . . . 5687 1 782 . 1 1 65 65 GLN NE2 N 15 113.50 0.2 . 1 . . . . . . . . 5687 1 783 . 1 1 66 66 GLN H H 1 7.64 0.02 . 1 . . . . . . . . 5687 1 784 . 1 1 66 66 GLN HA H 1 4.12 0.02 . 1 . . . . . . . . 5687 1 785 . 1 1 66 66 GLN HB2 H 1 2.02 0.02 . 2 . . . . . . . . 5687 1 786 . 1 1 66 66 GLN HB3 H 1 1.94 0.02 . 2 . . . . . . . . 5687 1 787 . 1 1 66 66 GLN HG2 H 1 2.45 0.02 . 2 . . . . . . . . 5687 1 788 . 1 1 66 66 GLN HG3 H 1 2.25 0.02 . 2 . . . . . . . . 5687 1 789 . 1 1 66 66 GLN HE21 H 1 7.31 0.02 . 2 . . . . . . . . 5687 1 790 . 1 1 66 66 GLN HE22 H 1 6.75 0.02 . 2 . . . . . . . . 5687 1 791 . 1 1 66 66 GLN C C 13 178.7 0.2 . 1 . . . . . . . . 5687 1 792 . 1 1 66 66 GLN CA C 13 59.24 0.2 . 1 . . . . . . . . 5687 1 793 . 1 1 66 66 GLN CB C 13 28.23 0.2 . 1 . . . . . . . . 5687 1 794 . 1 1 66 66 GLN CG C 13 34.18 0.2 . 1 . . . . . . . . 5687 1 795 . 1 1 66 66 GLN N N 15 117.71 0.2 . 1 . . . . . . . . 5687 1 796 . 1 1 66 66 GLN NE2 N 15 110.86 0.2 . 1 . . . . . . . . 5687 1 797 . 1 1 67 67 VAL H H 1 7.92 0.02 . 1 . . . . . . . . 5687 1 798 . 1 1 67 67 VAL HA H 1 3.86 0.02 . 1 . . . . . . . . 5687 1 799 . 1 1 67 67 VAL HB H 1 2.37 0.02 . 1 . . . . . . . . 5687 1 800 . 1 1 67 67 VAL HG11 H 1 0.98 0.02 . 2 . . . . . . . . 5687 1 801 . 1 1 67 67 VAL HG12 H 1 0.98 0.02 . 2 . . . . . . . . 5687 1 802 . 1 1 67 67 VAL HG13 H 1 0.98 0.02 . 2 . . . . . . . . 5687 1 803 . 1 1 67 67 VAL HG21 H 1 1.15 0.02 . 2 . . . . . . . . 5687 1 804 . 1 1 67 67 VAL HG22 H 1 1.15 0.02 . 2 . . . . . . . . 5687 1 805 . 1 1 67 67 VAL HG23 H 1 1.15 0.02 . 2 . . . . . . . . 5687 1 806 . 1 1 67 67 VAL C C 13 177.3 0.2 . 1 . . . . . . . . 5687 1 807 . 1 1 67 67 VAL CA C 13 66.23 0.2 . 1 . . . . . . . . 5687 1 808 . 1 1 67 67 VAL CB C 13 31.71 0.2 . 1 . . . . . . . . 5687 1 809 . 1 1 67 67 VAL CG1 C 13 21.47 0.2 . 2 . . . . . . . . 5687 1 810 . 1 1 67 67 VAL CG2 C 13 24.71 0.2 . 2 . . . . . . . . 5687 1 811 . 1 1 67 67 VAL N N 15 119.03 0.2 . 1 . . . . . . . . 5687 1 812 . 1 1 68 68 LEU H H 1 8.25 0.02 . 1 . . . . . . . . 5687 1 813 . 1 1 68 68 LEU HA H 1 3.87 0.02 . 1 . . . . . . . . 5687 1 814 . 1 1 68 68 LEU HB2 H 1 1.43 0.02 . 2 . . . . . . . . 5687 1 815 . 1 1 68 68 LEU HB3 H 1 1.82 0.02 . 2 . . . . . . . . 5687 1 816 . 1 1 68 68 LEU HG H 1 1.64 0.02 . 1 . . . . . . . . 5687 1 817 . 1 1 68 68 LEU HD11 H 1 0.60 0.02 . 2 . . . . . . . . 5687 1 818 . 1 1 68 68 LEU HD12 H 1 0.60 0.02 . 2 . . . . . . . . 5687 1 819 . 1 1 68 68 LEU HD13 H 1 0.60 0.02 . 2 . . . . . . . . 5687 1 820 . 1 1 68 68 LEU HD21 H 1 0.77 0.02 . 2 . . . . . . . . 5687 1 821 . 1 1 68 68 LEU HD22 H 1 0.77 0.02 . 2 . . . . . . . . 5687 1 822 . 1 1 68 68 LEU HD23 H 1 0.77 0.02 . 2 . . . . . . . . 5687 1 823 . 1 1 68 68 LEU C C 13 178.9 0.2 . 1 . . . . . . . . 5687 1 824 . 1 1 68 68 LEU CA C 13 58.46 0.2 . 1 . . . . . . . . 5687 1 825 . 1 1 68 68 LEU CB C 13 40.69 0.2 . 1 . . . . . . . . 5687 1 826 . 1 1 68 68 LEU CG C 13 26.96 0.2 . 1 . . . . . . . . 5687 1 827 . 1 1 68 68 LEU CD1 C 13 25.62 0.2 . 2 . . . . . . . . 5687 1 828 . 1 1 68 68 LEU CD2 C 13 22.78 0.2 . 2 . . . . . . . . 5687 1 829 . 1 1 68 68 LEU N N 15 120.50 0.2 . 1 . . . . . . . . 5687 1 830 . 1 1 69 69 ASP H H 1 8.14 0.02 . 1 . . . . . . . . 5687 1 831 . 1 1 69 69 ASP HA H 1 4.34 0.02 . 1 . . . . . . . . 5687 1 832 . 1 1 69 69 ASP HB2 H 1 2.79 0.02 . 2 . . . . . . . . 5687 1 833 . 1 1 69 69 ASP HB3 H 1 2.90 0.02 . 2 . . . . . . . . 5687 1 834 . 1 1 69 69 ASP C C 13 179.1 0.2 . 1 . . . . . . . . 5687 1 835 . 1 1 69 69 ASP CA C 13 57.24 0.2 . 1 . . . . . . . . 5687 1 836 . 1 1 69 69 ASP CB C 13 40.01 0.2 . 1 . . . . . . . . 5687 1 837 . 1 1 69 69 ASP N N 15 118.7 0.2 . 1 . . . . . . . . 5687 1 838 . 1 1 70 70 GLU H H 1 7.95 0.02 . 1 . . . . . . . . 5687 1 839 . 1 1 70 70 GLU HA H 1 4.37 0.02 . 1 . . . . . . . . 5687 1 840 . 1 1 70 70 GLU HB2 H 1 2.25 0.02 . 2 . . . . . . . . 5687 1 841 . 1 1 70 70 GLU HB3 H 1 2.50 0.02 . 2 . . . . . . . . 5687 1 842 . 1 1 70 70 GLU HG2 H 1 2.70 0.02 . 1 . . . . . . . . 5687 1 843 . 1 1 70 70 GLU HG3 H 1 2.70 0.02 . 1 . . . . . . . . 5687 1 844 . 1 1 70 70 GLU C C 13 179.9 0.2 . 1 . . . . . . . . 5687 1 845 . 1 1 70 70 GLU CA C 13 58.96 0.2 . 1 . . . . . . . . 5687 1 846 . 1 1 70 70 GLU CB C 13 29.42 0.2 . 1 . . . . . . . . 5687 1 847 . 1 1 70 70 GLU CG C 13 34.57 0.2 . 1 . . . . . . . . 5687 1 848 . 1 1 70 70 GLU N N 15 118.68 0.2 . 1 . . . . . . . . 5687 1 849 . 1 1 71 71 LEU H H 1 8.69 0.02 . 1 . . . . . . . . 5687 1 850 . 1 1 71 71 LEU HA H 1 4.20 0.02 . 1 . . . . . . . . 5687 1 851 . 1 1 71 71 LEU HB2 H 1 1.45 0.02 . 2 . . . . . . . . 5687 1 852 . 1 1 71 71 LEU HB3 H 1 2.05 0.02 . 2 . . . . . . . . 5687 1 853 . 1 1 71 71 LEU HG H 1 2.25 0.02 . 1 . . . . . . . . 5687 1 854 . 1 1 71 71 LEU HD11 H 1 0.87 0.02 . 2 . . . . . . . . 5687 1 855 . 1 1 71 71 LEU HD12 H 1 0.87 0.02 . 2 . . . . . . . . 5687 1 856 . 1 1 71 71 LEU HD13 H 1 0.87 0.02 . 2 . . . . . . . . 5687 1 857 . 1 1 71 71 LEU HD21 H 1 0.96 0.02 . 2 . . . . . . . . 5687 1 858 . 1 1 71 71 LEU HD22 H 1 0.96 0.02 . 2 . . . . . . . . 5687 1 859 . 1 1 71 71 LEU HD23 H 1 0.96 0.02 . 2 . . . . . . . . 5687 1 860 . 1 1 71 71 LEU C C 13 179.1 0.2 . 1 . . . . . . . . 5687 1 861 . 1 1 71 71 LEU CA C 13 57.59 0.2 . 1 . . . . . . . . 5687 1 862 . 1 1 71 71 LEU CB C 13 41.70 0.2 . 1 . . . . . . . . 5687 1 863 . 1 1 71 71 LEU CG C 13 26.34 0.2 . 1 . . . . . . . . 5687 1 864 . 1 1 71 71 LEU CD1 C 13 26.50 0.2 . 2 . . . . . . . . 5687 1 865 . 1 1 71 71 LEU CD2 C 13 23.54 0.2 . 2 . . . . . . . . 5687 1 866 . 1 1 71 71 LEU N N 15 119.00 0.2 . 1 . . . . . . . . 5687 1 867 . 1 1 72 72 ASN H H 1 8.34 0.02 . 1 . . . . . . . . 5687 1 868 . 1 1 72 72 ASN HA H 1 4.32 0.02 . 1 . . . . . . . . 5687 1 869 . 1 1 72 72 ASN HB2 H 1 2.92 0.02 . 2 . . . . . . . . 5687 1 870 . 1 1 72 72 ASN HB3 H 1 2.80 0.02 . 2 . . . . . . . . 5687 1 871 . 1 1 72 72 ASN HD21 H 1 7.60 0.02 . 2 . . . . . . . . 5687 1 872 . 1 1 72 72 ASN HD22 H 1 6.83 0.02 . 2 . . . . . . . . 5687 1 873 . 1 1 72 72 ASN C C 13 177.1 0.2 . 1 . . . . . . . . 5687 1 874 . 1 1 72 72 ASN CA C 13 56.00 0.2 . 1 . . . . . . . . 5687 1 875 . 1 1 72 72 ASN CB C 13 38.87 0.2 . 1 . . . . . . . . 5687 1 876 . 1 1 72 72 ASN N N 15 117.00 0.2 . 1 . . . . . . . . 5687 1 877 . 1 1 72 72 ASN ND2 N 15 112.90 0.2 . 1 . . . . . . . . 5687 1 878 . 1 1 73 73 ASN H H 1 7.79 0.02 . 1 . . . . . . . . 5687 1 879 . 1 1 73 73 ASN HA H 1 4.57 0.02 . 1 . . . . . . . . 5687 1 880 . 1 1 73 73 ASN HB2 H 1 2.58 0.02 . 2 . . . . . . . . 5687 1 881 . 1 1 73 73 ASN HB3 H 1 2.40 0.02 . 2 . . . . . . . . 5687 1 882 . 1 1 73 73 ASN HD21 H 1 7.50 0.02 . 2 . . . . . . . . 5687 1 883 . 1 1 73 73 ASN HD22 H 1 6.88 0.02 . 2 . . . . . . . . 5687 1 884 . 1 1 73 73 ASN C C 13 176.5 0.2 . 1 . . . . . . . . 5687 1 885 . 1 1 73 73 ASN CA C 13 54.43 0.2 . 1 . . . . . . . . 5687 1 886 . 1 1 73 73 ASN CB C 13 38.96 0.2 . 1 . . . . . . . . 5687 1 887 . 1 1 73 73 ASN N N 15 114.46 0.2 . 1 . . . . . . . . 5687 1 888 . 1 1 73 73 ASN ND2 N 15 113.4 0.2 . 1 . . . . . . . . 5687 1 889 . 1 1 74 74 HIS H H 1 7.83 0.02 . 1 . . . . . . . . 5687 1 890 . 1 1 74 74 HIS HA H 1 4.66 0.02 . 1 . . . . . . . . 5687 1 891 . 1 1 74 74 HIS HB2 H 1 2.25 0.02 . 2 . . . . . . . . 5687 1 892 . 1 1 74 74 HIS HB3 H 1 2.06 0.02 . 2 . . . . . . . . 5687 1 893 . 1 1 74 74 HIS HD2 H 1 7.44 0.02 . 1 . . . . . . . . 5687 1 894 . 1 1 74 74 HIS C C 13 173.3 0.2 . 1 . . . . . . . . 5687 1 895 . 1 1 74 74 HIS CA C 13 55.92 0.2 . 1 . . . . . . . . 5687 1 896 . 1 1 74 74 HIS CB C 13 29.54 0.2 . 1 . . . . . . . . 5687 1 897 . 1 1 74 74 HIS N N 15 114.25 0.2 . 1 . . . . . . . . 5687 1 898 . 1 1 75 75 LEU H H 1 8.07 0.02 . 1 . . . . . . . . 5687 1 899 . 1 1 75 75 LEU HA H 1 4.79 0.02 . 1 . . . . . . . . 5687 1 900 . 1 1 75 75 LEU HB2 H 1 1.85 0.02 . 2 . . . . . . . . 5687 1 901 . 1 1 75 75 LEU HB3 H 1 1.59 0.02 . 2 . . . . . . . . 5687 1 902 . 1 1 75 75 LEU HG H 1 1.80 0.02 . 1 . . . . . . . . 5687 1 903 . 1 1 75 75 LEU HD11 H 1 0.99 0.02 . 2 . . . . . . . . 5687 1 904 . 1 1 75 75 LEU HD12 H 1 0.99 0.02 . 2 . . . . . . . . 5687 1 905 . 1 1 75 75 LEU HD13 H 1 0.99 0.02 . 2 . . . . . . . . 5687 1 906 . 1 1 75 75 LEU HD21 H 1 1.02 0.02 . 2 . . . . . . . . 5687 1 907 . 1 1 75 75 LEU HD22 H 1 1.02 0.02 . 2 . . . . . . . . 5687 1 908 . 1 1 75 75 LEU HD23 H 1 1.02 0.02 . 2 . . . . . . . . 5687 1 909 . 1 1 75 75 LEU C C 13 177.3 0.2 . 1 . . . . . . . . 5687 1 910 . 1 1 75 75 LEU CA C 13 54.56 0.2 . 1 . . . . . . . . 5687 1 911 . 1 1 75 75 LEU CB C 13 43.77 0.2 . 1 . . . . . . . . 5687 1 912 . 1 1 75 75 LEU CG C 13 26.95 0.2 . 1 . . . . . . . . 5687 1 913 . 1 1 75 75 LEU CD1 C 13 24.87 0.2 . 2 . . . . . . . . 5687 1 914 . 1 1 75 75 LEU CD2 C 13 26.10 0.2 . 2 . . . . . . . . 5687 1 915 . 1 1 75 75 LEU N N 15 120.49 0.2 . 1 . . . . . . . . 5687 1 916 . 1 1 76 76 GLN H H 1 8.84 0.02 . 1 . . . . . . . . 5687 1 917 . 1 1 76 76 GLN HA H 1 4.40 0.02 . 1 . . . . . . . . 5687 1 918 . 1 1 76 76 GLN HB2 H 1 2.06 0.02 . 2 . . . . . . . . 5687 1 919 . 1 1 76 76 GLN HB3 H 1 1.98 0.02 . 2 . . . . . . . . 5687 1 920 . 1 1 76 76 GLN HG2 H 1 2.31 0.02 . 2 . . . . . . . . 5687 1 921 . 1 1 76 76 GLN HG3 H 1 2.33 0.02 . 2 . . . . . . . . 5687 1 922 . 1 1 76 76 GLN HE21 H 1 7.42 0.02 . 2 . . . . . . . . 5687 1 923 . 1 1 76 76 GLN HE22 H 1 6.81 0.02 . 2 . . . . . . . . 5687 1 924 . 1 1 76 76 GLN C C 13 176.2 0.2 . 1 . . . . . . . . 5687 1 925 . 1 1 76 76 GLN CA C 13 56.45 0.2 . 1 . . . . . . . . 5687 1 926 . 1 1 76 76 GLN CB C 13 29.18 0.2 . 1 . . . . . . . . 5687 1 927 . 1 1 76 76 GLN CG C 13 33.55 0.2 . 1 . . . . . . . . 5687 1 928 . 1 1 76 76 GLN N N 15 125.0 0.2 . 1 . . . . . . . . 5687 1 929 . 1 1 76 76 GLN NE2 N 15 111.9 0.2 . 1 . . . . . . . . 5687 1 930 . 1 1 77 77 GLY H H 1 8.57 0.02 . 1 . . . . . . . . 5687 1 931 . 1 1 77 77 GLY HA2 H 1 4.10 0.02 . 2 . . . . . . . . 5687 1 932 . 1 1 77 77 GLY HA3 H 1 4.00 0.02 . 2 . . . . . . . . 5687 1 933 . 1 1 77 77 GLY C C 13 174.9 0.2 . 1 . . . . . . . . 5687 1 934 . 1 1 77 77 GLY CA C 13 45.65 0.2 . 1 . . . . . . . . 5687 1 935 . 1 1 77 77 GLY N N 15 111.67 0.2 . 1 . . . . . . . . 5687 1 936 . 1 1 78 78 GLY H H 1 8.35 0.02 . 1 . . . . . . . . 5687 1 937 . 1 1 78 78 GLY HA2 H 1 4.00 0.02 . 2 . . . . . . . . 5687 1 938 . 1 1 78 78 GLY HA3 H 1 3.94 0.02 . 2 . . . . . . . . 5687 1 939 . 1 1 78 78 GLY C C 13 175.4 0.2 . 1 . . . . . . . . 5687 1 940 . 1 1 78 78 GLY CA C 13 46.67 0.2 . 1 . . . . . . . . 5687 1 941 . 1 1 78 78 GLY N N 15 107.68 0.2 . 1 . . . . . . . . 5687 1 942 . 1 1 79 79 LYS H H 1 8.38 0.02 . 1 . . . . . . . . 5687 1 943 . 1 1 79 79 LYS HA H 1 4.06 0.02 . 1 . . . . . . . . 5687 1 944 . 1 1 79 79 LYS HB2 H 1 1.79 0.02 . 2 . . . . . . . . 5687 1 945 . 1 1 79 79 LYS HB3 H 1 1.69 0.02 . 2 . . . . . . . . 5687 1 946 . 1 1 79 79 LYS HG2 H 1 1.32 0.02 . 2 . . . . . . . . 5687 1 947 . 1 1 79 79 LYS HG3 H 1 1.43 0.02 . 2 . . . . . . . . 5687 1 948 . 1 1 79 79 LYS HD2 H 1 1.65 0.02 . 1 . . . . . . . . 5687 1 949 . 1 1 79 79 LYS HD3 H 1 1.65 0.02 . 1 . . . . . . . . 5687 1 950 . 1 1 79 79 LYS HE2 H 1 2.97 0.02 . 1 . . . . . . . . 5687 1 951 . 1 1 79 79 LYS HE3 H 1 2.97 0.02 . 1 . . . . . . . . 5687 1 952 . 1 1 79 79 LYS C C 13 178.5 0.2 . 1 . . . . . . . . 5687 1 953 . 1 1 79 79 LYS CA C 13 58.84 0.2 . 1 . . . . . . . . 5687 1 954 . 1 1 79 79 LYS CB C 13 32.30 0.2 . 1 . . . . . . . . 5687 1 955 . 1 1 79 79 LYS CG C 13 25.47 0.2 . 1 . . . . . . . . 5687 1 956 . 1 1 79 79 LYS CD C 13 29.21 0.2 . 1 . . . . . . . . 5687 1 957 . 1 1 79 79 LYS CE C 13 42.23 0.2 . 1 . . . . . . . . 5687 1 958 . 1 1 79 79 LYS N N 15 120.13 0.2 . 1 . . . . . . . . 5687 1 959 . 1 1 80 80 HIS H H 1 8.65 0.02 . 1 . . . . . . . . 5687 1 960 . 1 1 80 80 HIS HA H 1 4.51 0.02 . 1 . . . . . . . . 5687 1 961 . 1 1 80 80 HIS HB2 H 1 3.32 0.02 . 1 . . . . . . . . 5687 1 962 . 1 1 80 80 HIS HB3 H 1 3.32 0.02 . 1 . . . . . . . . 5687 1 963 . 1 1 80 80 HIS C C 13 177.3 0.2 . 1 . . . . . . . . 5687 1 964 . 1 1 80 80 HIS CA C 13 58.44 0.2 . 1 . . . . . . . . 5687 1 965 . 1 1 80 80 HIS CB C 13 27.98 0.2 . 1 . . . . . . . . 5687 1 966 . 1 1 80 80 HIS N N 15 117.83 0.2 . 1 . . . . . . . . 5687 1 967 . 1 1 81 81 THR H H 1 7.98 0.02 . 1 . . . . . . . . 5687 1 968 . 1 1 81 81 THR HA H 1 4.03 0.02 . 1 . . . . . . . . 5687 1 969 . 1 1 81 81 THR HB H 1 4.12 0.02 . 1 . . . . . . . . 5687 1 970 . 1 1 81 81 THR HG21 H 1 1.23 0.02 . 1 . . . . . . . . 5687 1 971 . 1 1 81 81 THR HG22 H 1 1.23 0.02 . 1 . . . . . . . . 5687 1 972 . 1 1 81 81 THR HG23 H 1 1.23 0.02 . 1 . . . . . . . . 5687 1 973 . 1 1 81 81 THR C C 13 176.1 0.2 . 1 . . . . . . . . 5687 1 974 . 1 1 81 81 THR CA C 13 66.06 0.2 . 1 . . . . . . . . 5687 1 975 . 1 1 81 81 THR CB C 13 68.00 0.2 . 1 . . . . . . . . 5687 1 976 . 1 1 81 81 THR CG2 C 13 22.35 0.2 . 1 . . . . . . . . 5687 1 977 . 1 1 81 81 THR N N 15 117.76 0.2 . 1 . . . . . . . . 5687 1 978 . 1 1 82 82 VAL H H 1 8.07 0.02 . 1 . . . . . . . . 5687 1 979 . 1 1 82 82 VAL HA H 1 3.55 0.02 . 1 . . . . . . . . 5687 1 980 . 1 1 82 82 VAL HB H 1 2.10 0.02 . 1 . . . . . . . . 5687 1 981 . 1 1 82 82 VAL HG11 H 1 0.92 0.02 . 2 . . . . . . . . 5687 1 982 . 1 1 82 82 VAL HG12 H 1 0.92 0.02 . 2 . . . . . . . . 5687 1 983 . 1 1 82 82 VAL HG13 H 1 0.92 0.02 . 2 . . . . . . . . 5687 1 984 . 1 1 82 82 VAL HG21 H 1 0.98 0.02 . 2 . . . . . . . . 5687 1 985 . 1 1 82 82 VAL HG22 H 1 0.98 0.02 . 2 . . . . . . . . 5687 1 986 . 1 1 82 82 VAL HG23 H 1 0.98 0.02 . 2 . . . . . . . . 5687 1 987 . 1 1 82 82 VAL C C 13 177.5 0.2 . 1 . . . . . . . . 5687 1 988 . 1 1 82 82 VAL CA C 13 66.82 0.2 . 1 . . . . . . . . 5687 1 989 . 1 1 82 82 VAL CB C 13 31.71 0.2 . 1 . . . . . . . . 5687 1 990 . 1 1 82 82 VAL CG1 C 13 21.77 0.2 . 2 . . . . . . . . 5687 1 991 . 1 1 82 82 VAL CG2 C 13 23.60 0.2 . 2 . . . . . . . . 5687 1 992 . 1 1 82 82 VAL N N 15 120.7 0.2 . 1 . . . . . . . . 5687 1 993 . 1 1 83 83 HIS H H 1 8.42 0.02 . 1 . . . . . . . . 5687 1 994 . 1 1 83 83 HIS HA H 1 4.51 0.02 . 1 . . . . . . . . 5687 1 995 . 1 1 83 83 HIS HB2 H 1 3.32 0.02 . 2 . . . . . . . . 5687 1 996 . 1 1 83 83 HIS HB3 H 1 3.36 0.02 . 2 . . . . . . . . 5687 1 997 . 1 1 83 83 HIS C C 13 176.7 0.2 . 1 . . . . . . . . 5687 1 998 . 1 1 83 83 HIS CA C 13 58.44 0.2 . 1 . . . . . . . . 5687 1 999 . 1 1 83 83 HIS CB C 13 28.19 0.2 . 1 . . . . . . . . 5687 1 1000 . 1 1 83 83 HIS N N 15 118.27 0.2 . 1 . . . . . . . . 5687 1 1001 . 1 1 84 84 HIS H H 1 8.15 0.02 . 1 . . . . . . . . 5687 1 1002 . 1 1 84 84 HIS HA H 1 4.39 0.02 . 1 . . . . . . . . 5687 1 1003 . 1 1 84 84 HIS HB2 H 1 3.45 0.02 . 2 . . . . . . . . 5687 1 1004 . 1 1 84 84 HIS HB3 H 1 3.30 0.02 . 2 . . . . . . . . 5687 1 1005 . 1 1 84 84 HIS HD2 H 1 7.32 0.02 . 1 . . . . . . . . 5687 1 1006 . 1 1 84 84 HIS C C 13 177.4 0.2 . 1 . . . . . . . . 5687 1 1007 . 1 1 84 84 HIS CA C 13 59.40 0.2 . 1 . . . . . . . . 5687 1 1008 . 1 1 84 84 HIS CB C 13 28.10 0.2 . 1 . . . . . . . . 5687 1 1009 . 1 1 84 84 HIS N N 15 118.40 0.2 . 1 . . . . . . . . 5687 1 1010 . 1 1 85 85 ILE H H 1 8.06 0.02 . 1 . . . . . . . . 5687 1 1011 . 1 1 85 85 ILE HA H 1 3.71 0.02 . 1 . . . . . . . . 5687 1 1012 . 1 1 85 85 ILE HB H 1 1.97 0.02 . 1 . . . . . . . . 5687 1 1013 . 1 1 85 85 ILE HG12 H 1 1.06 0.02 . 1 . . . . . . . . 5687 1 1014 . 1 1 85 85 ILE HG13 H 1 1.06 0.02 . 1 . . . . . . . . 5687 1 1015 . 1 1 85 85 ILE HG21 H 1 0.90 0.02 . 1 . . . . . . . . 5687 1 1016 . 1 1 85 85 ILE HG22 H 1 0.90 0.02 . 1 . . . . . . . . 5687 1 1017 . 1 1 85 85 ILE HG23 H 1 0.90 0.02 . 1 . . . . . . . . 5687 1 1018 . 1 1 85 85 ILE HD11 H 1 0.80 0.02 . 1 . . . . . . . . 5687 1 1019 . 1 1 85 85 ILE HD12 H 1 0.80 0.02 . 1 . . . . . . . . 5687 1 1020 . 1 1 85 85 ILE HD13 H 1 0.80 0.02 . 1 . . . . . . . . 5687 1 1021 . 1 1 85 85 ILE C C 13 177.8 0.2 . 1 . . . . . . . . 5687 1 1022 . 1 1 85 85 ILE CA C 13 65.51 0.2 . 1 . . . . . . . . 5687 1 1023 . 1 1 85 85 ILE CB C 13 38.40 0.2 . 1 . . . . . . . . 5687 1 1024 . 1 1 85 85 ILE CG1 C 13 28.98 0.2 . 1 . . . . . . . . 5687 1 1025 . 1 1 85 85 ILE CG2 C 13 17.13 0.2 . 1 . . . . . . . . 5687 1 1026 . 1 1 85 85 ILE CD1 C 13 14.12 0.2 . 1 . . . . . . . . 5687 1 1027 . 1 1 85 85 ILE N N 15 120.40 0.2 . 1 . . . . . . . . 5687 1 1028 . 1 1 86 86 GLU H H 1 8.47 0.02 . 1 . . . . . . . . 5687 1 1029 . 1 1 86 86 GLU HA H 1 4.08 0.02 . 1 . . . . . . . . 5687 1 1030 . 1 1 86 86 GLU HB2 H 1 2.33 0.02 . 1 . . . . . . . . 5687 1 1031 . 1 1 86 86 GLU HB3 H 1 2.33 0.02 . 1 . . . . . . . . 5687 1 1032 . 1 1 86 86 GLU HG2 H 1 2.53 0.02 . 2 . . . . . . . . 5687 1 1033 . 1 1 86 86 GLU HG3 H 1 2.37 0.02 . 2 . . . . . . . . 5687 1 1034 . 1 1 86 86 GLU C C 13 178.8 0.2 . 1 . . . . . . . . 5687 1 1035 . 1 1 86 86 GLU CA C 13 59.40 0.2 . 1 . . . . . . . . 5687 1 1036 . 1 1 86 86 GLU CB C 13 28.55 0.2 . 1 . . . . . . . . 5687 1 1037 . 1 1 86 86 GLU CG C 13 35.01 0.2 . 1 . . . . . . . . 5687 1 1038 . 1 1 86 86 GLU N N 15 118.10 0.2 . 1 . . . . . . . . 5687 1 1039 . 1 1 87 87 GLN H H 1 8.03 0.02 . 1 . . . . . . . . 5687 1 1040 . 1 1 87 87 GLN HA H 1 4.00 0.02 . 1 . . . . . . . . 5687 1 1041 . 1 1 87 87 GLN HB2 H 1 2.01 0.02 . 2 . . . . . . . . 5687 1 1042 . 1 1 87 87 GLN HB3 H 1 2.06 0.02 . 2 . . . . . . . . 5687 1 1043 . 1 1 87 87 GLN HG2 H 1 2.31 0.02 . 1 . . . . . . . . 5687 1 1044 . 1 1 87 87 GLN HG3 H 1 2.31 0.02 . 1 . . . . . . . . 5687 1 1045 . 1 1 87 87 GLN HE21 H 1 7.45 0.02 . 2 . . . . . . . . 5687 1 1046 . 1 1 87 87 GLN HE22 H 1 6.64 0.02 . 2 . . . . . . . . 5687 1 1047 . 1 1 87 87 GLN C C 13 177.4 0.2 . 1 . . . . . . . . 5687 1 1048 . 1 1 87 87 GLN CA C 13 58.50 0.2 . 1 . . . . . . . . 5687 1 1049 . 1 1 87 87 GLN CB C 13 28.80 0.2 . 1 . . . . . . . . 5687 1 1050 . 1 1 87 87 GLN CG C 13 33.90 0.2 . 1 . . . . . . . . 5687 1 1051 . 1 1 87 87 GLN N N 15 117.75 0.2 . 1 . . . . . . . . 5687 1 1052 . 1 1 87 87 GLN NE2 N 15 112.20 0.2 . 1 . . . . . . . . 5687 1 1053 . 1 1 88 88 ASN H H 1 7.69 0.02 . 1 . . . . . . . . 5687 1 1054 . 1 1 88 88 ASN HA H 1 4.86 0.02 . 1 . . . . . . . . 5687 1 1055 . 1 1 88 88 ASN HB2 H 1 2.64 0.02 . 2 . . . . . . . . 5687 1 1056 . 1 1 88 88 ASN HB3 H 1 2.75 0.02 . 2 . . . . . . . . 5687 1 1057 . 1 1 88 88 ASN HD21 H 1 7.47 0.02 . 2 . . . . . . . . 5687 1 1058 . 1 1 88 88 ASN HD22 H 1 6.95 0.02 . 2 . . . . . . . . 5687 1 1059 . 1 1 88 88 ASN C C 13 176.9 0.2 . 1 . . . . . . . . 5687 1 1060 . 1 1 88 88 ASN CA C 13 54.68 0.2 . 1 . . . . . . . . 5687 1 1061 . 1 1 88 88 ASN CB C 13 39.95 0.2 . 1 . . . . . . . . 5687 1 1062 . 1 1 88 88 ASN N N 15 116.57 0.2 . 1 . . . . . . . . 5687 1 1063 . 1 1 88 88 ASN ND2 N 15 112.70 0.2 . 1 . . . . . . . . 5687 1 1064 . 1 1 89 89 ILE H H 1 7.86 0.02 . 1 . . . . . . . . 5687 1 1065 . 1 1 89 89 ILE HA H 1 3.68 0.02 . 1 . . . . . . . . 5687 1 1066 . 1 1 89 89 ILE HB H 1 1.73 0.02 . 1 . . . . . . . . 5687 1 1067 . 1 1 89 89 ILE HG12 H 1 1.20 0.02 . 2 . . . . . . . . 5687 1 1068 . 1 1 89 89 ILE HG13 H 1 0.88 0.02 . 2 . . . . . . . . 5687 1 1069 . 1 1 89 89 ILE HG21 H 1 0.70 0.02 . 1 . . . . . . . . 5687 1 1070 . 1 1 89 89 ILE HG22 H 1 0.70 0.02 . 1 . . . . . . . . 5687 1 1071 . 1 1 89 89 ILE HG23 H 1 0.70 0.02 . 1 . . . . . . . . 5687 1 1072 . 1 1 89 89 ILE HD11 H 1 0.44 0.02 . 1 . . . . . . . . 5687 1 1073 . 1 1 89 89 ILE HD12 H 1 0.44 0.02 . 1 . . . . . . . . 5687 1 1074 . 1 1 89 89 ILE HD13 H 1 0.44 0.02 . 1 . . . . . . . . 5687 1 1075 . 1 1 89 89 ILE C C 13 176.2 0.2 . 1 . . . . . . . . 5687 1 1076 . 1 1 89 89 ILE CA C 13 64.39 0.2 . 1 . . . . . . . . 5687 1 1077 . 1 1 89 89 ILE CB C 13 37.75 0.2 . 1 . . . . . . . . 5687 1 1078 . 1 1 89 89 ILE CG1 C 13 28.92 0.2 . 1 . . . . . . . . 5687 1 1079 . 1 1 89 89 ILE CG2 C 13 18.00 0.2 . 1 . . . . . . . . 5687 1 1080 . 1 1 89 89 ILE CD1 C 13 13.81 0.2 . 1 . . . . . . . . 5687 1 1081 . 1 1 89 89 ILE N N 15 120.23 0.2 . 1 . . . . . . . . 5687 1 1082 . 1 1 90 90 LYS H H 1 8.22 0.02 . 1 . . . . . . . . 5687 1 1083 . 1 1 90 90 LYS HA H 1 3.97 0.02 . 1 . . . . . . . . 5687 1 1084 . 1 1 90 90 LYS HB2 H 1 1.89 0.02 . 2 . . . . . . . . 5687 1 1085 . 1 1 90 90 LYS HB3 H 1 1.81 0.02 . 2 . . . . . . . . 5687 1 1086 . 1 1 90 90 LYS HG2 H 1 1.38 0.02 . 2 . . . . . . . . 5687 1 1087 . 1 1 90 90 LYS HG3 H 1 1.59 0.02 . 2 . . . . . . . . 5687 1 1088 . 1 1 90 90 LYS HD2 H 1 1.69 0.02 . 1 . . . . . . . . 5687 1 1089 . 1 1 90 90 LYS HD3 H 1 1.69 0.02 . 1 . . . . . . . . 5687 1 1090 . 1 1 90 90 LYS HE2 H 1 2.97 0.02 . 1 . . . . . . . . 5687 1 1091 . 1 1 90 90 LYS HE3 H 1 2.97 0.02 . 1 . . . . . . . . 5687 1 1092 . 1 1 90 90 LYS C C 13 178.6 0.2 . 1 . . . . . . . . 5687 1 1093 . 1 1 90 90 LYS CA C 13 60.30 0.2 . 1 . . . . . . . . 5687 1 1094 . 1 1 90 90 LYS CB C 13 31.97 0.2 . 1 . . . . . . . . 5687 1 1095 . 1 1 90 90 LYS CG C 13 25.85 0.2 . 1 . . . . . . . . 5687 1 1096 . 1 1 90 90 LYS CD C 13 29.43 0.2 . 1 . . . . . . . . 5687 1 1097 . 1 1 90 90 LYS CE C 13 42.05 0.2 . 1 . . . . . . . . 5687 1 1098 . 1 1 90 90 LYS N N 15 121.0 0.2 . 1 . . . . . . . . 5687 1 1099 . 1 1 91 91 GLU H H 1 7.95 0.02 . 1 . . . . . . . . 5687 1 1100 . 1 1 91 91 GLU HA H 1 4.19 0.02 . 1 . . . . . . . . 5687 1 1101 . 1 1 91 91 GLU HB2 H 1 2.14 0.02 . 1 . . . . . . . . 5687 1 1102 . 1 1 91 91 GLU HB3 H 1 2.14 0.02 . 1 . . . . . . . . 5687 1 1103 . 1 1 91 91 GLU HG2 H 1 2.47 0.02 . 2 . . . . . . . . 5687 1 1104 . 1 1 91 91 GLU HG3 H 1 2.38 0.02 . 2 . . . . . . . . 5687 1 1105 . 1 1 91 91 GLU C C 13 179.5 0.2 . 1 . . . . . . . . 5687 1 1106 . 1 1 91 91 GLU CA C 13 59.25 0.2 . 1 . . . . . . . . 5687 1 1107 . 1 1 91 91 GLU CB C 13 28.98 0.2 . 1 . . . . . . . . 5687 1 1108 . 1 1 91 91 GLU CG C 13 35.56 0.2 . 1 . . . . . . . . 5687 1 1109 . 1 1 91 91 GLU N N 15 120.00 0.2 . 1 . . . . . . . . 5687 1 1110 . 1 1 92 92 ILE H H 1 8.11 0.02 . 1 . . . . . . . . 5687 1 1111 . 1 1 92 92 ILE HA H 1 3.82 0.02 . 1 . . . . . . . . 5687 1 1112 . 1 1 92 92 ILE HB H 1 1.90 0.02 . 1 . . . . . . . . 5687 1 1113 . 1 1 92 92 ILE HG12 H 1 0.98 0.02 . 1 . . . . . . . . 5687 1 1114 . 1 1 92 92 ILE HG13 H 1 0.98 0.02 . 1 . . . . . . . . 5687 1 1115 . 1 1 92 92 ILE HG21 H 1 0.78 0.02 . 1 . . . . . . . . 5687 1 1116 . 1 1 92 92 ILE HG22 H 1 0.78 0.02 . 1 . . . . . . . . 5687 1 1117 . 1 1 92 92 ILE HG23 H 1 0.78 0.02 . 1 . . . . . . . . 5687 1 1118 . 1 1 92 92 ILE HD11 H 1 0.74 0.02 . 1 . . . . . . . . 5687 1 1119 . 1 1 92 92 ILE HD12 H 1 0.74 0.02 . 1 . . . . . . . . 5687 1 1120 . 1 1 92 92 ILE HD13 H 1 0.74 0.02 . 1 . . . . . . . . 5687 1 1121 . 1 1 92 92 ILE C C 13 178.3 0.2 . 1 . . . . . . . . 5687 1 1122 . 1 1 92 92 ILE CA C 13 65.56 0.2 . 1 . . . . . . . . 5687 1 1123 . 1 1 92 92 ILE CB C 13 38.20 0.2 . 1 . . . . . . . . 5687 1 1124 . 1 1 92 92 ILE CG1 C 13 27.90 0.2 . 1 . . . . . . . . 5687 1 1125 . 1 1 92 92 ILE CG2 C 13 17.43 0.2 . 1 . . . . . . . . 5687 1 1126 . 1 1 92 92 ILE CD1 C 13 14.66 0.2 . 1 . . . . . . . . 5687 1 1127 . 1 1 92 92 ILE N N 15 121.10 0.2 . 1 . . . . . . . . 5687 1 1128 . 1 1 93 93 PHE H H 1 8.69 0.02 . 1 . . . . . . . . 5687 1 1129 . 1 1 93 93 PHE HA H 1 4.17 0.02 . 1 . . . . . . . . 5687 1 1130 . 1 1 93 93 PHE HB2 H 1 3.14 0.02 . 2 . . . . . . . . 5687 1 1131 . 1 1 93 93 PHE HB3 H 1 3.18 0.02 . 2 . . . . . . . . 5687 1 1132 . 1 1 93 93 PHE HD1 H 1 7.03 0.02 . 1 . . . . . . . . 5687 1 1133 . 1 1 93 93 PHE HD2 H 1 7.03 0.02 . 1 . . . . . . . . 5687 1 1134 . 1 1 93 93 PHE HE1 H 1 7.16 0.02 . 1 . . . . . . . . 5687 1 1135 . 1 1 93 93 PHE HE2 H 1 7.16 0.02 . 1 . . . . . . . . 5687 1 1136 . 1 1 93 93 PHE C C 13 177.8 0.2 . 1 . . . . . . . . 5687 1 1137 . 1 1 93 93 PHE CA C 13 60.54 0.2 . 1 . . . . . . . . 5687 1 1138 . 1 1 93 93 PHE CB C 13 37.92 0.2 . 1 . . . . . . . . 5687 1 1139 . 1 1 93 93 PHE N N 15 119.20 0.2 . 1 . . . . . . . . 5687 1 1140 . 1 1 94 94 HIS H H 1 8.22 0.02 . 1 . . . . . . . . 5687 1 1141 . 1 1 94 94 HIS HA H 1 4.45 0.02 . 1 . . . . . . . . 5687 1 1142 . 1 1 94 94 HIS HB2 H 1 3.36 0.02 . 1 . . . . . . . . 5687 1 1143 . 1 1 94 94 HIS HB3 H 1 3.36 0.02 . 1 . . . . . . . . 5687 1 1144 . 1 1 94 94 HIS C C 13 177.1 0.2 . 1 . . . . . . . . 5687 1 1145 . 1 1 94 94 HIS CA C 13 58.61 0.2 . 1 . . . . . . . . 5687 1 1146 . 1 1 94 94 HIS CB C 13 28.04 0.2 . 1 . . . . . . . . 5687 1 1147 . 1 1 94 94 HIS N N 15 117.04 0.2 . 1 . . . . . . . . 5687 1 1148 . 1 1 95 95 HIS H H 1 8.22 0.02 . 1 . . . . . . . . 5687 1 1149 . 1 1 95 95 HIS HA H 1 4.42 0.02 . 1 . . . . . . . . 5687 1 1150 . 1 1 95 95 HIS HB2 H 1 3.28 0.02 . 2 . . . . . . . . 5687 1 1151 . 1 1 95 95 HIS HB3 H 1 3.43 0.02 . 2 . . . . . . . . 5687 1 1152 . 1 1 95 95 HIS C C 13 177.5 0.2 . 1 . . . . . . . . 5687 1 1153 . 1 1 95 95 HIS CA C 13 58.39 0.2 . 1 . . . . . . . . 5687 1 1154 . 1 1 95 95 HIS CB C 13 28.37 0.2 . 1 . . . . . . . . 5687 1 1155 . 1 1 95 95 HIS N N 15 117.22 0.2 . 1 . . . . . . . . 5687 1 1156 . 1 1 96 96 LEU H H 1 8.46 0.02 . 1 . . . . . . . . 5687 1 1157 . 1 1 96 96 LEU HA H 1 3.95 0.02 . 1 . . . . . . . . 5687 1 1158 . 1 1 96 96 LEU HB2 H 1 1.19 0.02 . 2 . . . . . . . . 5687 1 1159 . 1 1 96 96 LEU HB3 H 1 1.82 0.02 . 2 . . . . . . . . 5687 1 1160 . 1 1 96 96 LEU HG H 1 1.80 0.02 . 1 . . . . . . . . 5687 1 1161 . 1 1 96 96 LEU HD11 H 1 0.54 0.02 . 2 . . . . . . . . 5687 1 1162 . 1 1 96 96 LEU HD12 H 1 0.54 0.02 . 2 . . . . . . . . 5687 1 1163 . 1 1 96 96 LEU HD13 H 1 0.54 0.02 . 2 . . . . . . . . 5687 1 1164 . 1 1 96 96 LEU HD21 H 1 0.70 0.02 . 2 . . . . . . . . 5687 1 1165 . 1 1 96 96 LEU HD22 H 1 0.70 0.02 . 2 . . . . . . . . 5687 1 1166 . 1 1 96 96 LEU HD23 H 1 0.70 0.02 . 2 . . . . . . . . 5687 1 1167 . 1 1 96 96 LEU C C 13 178.7 0.2 . 1 . . . . . . . . 5687 1 1168 . 1 1 96 96 LEU CA C 13 58.12 0.2 . 1 . . . . . . . . 5687 1 1169 . 1 1 96 96 LEU CB C 13 41.54 0.2 . 1 . . . . . . . . 5687 1 1170 . 1 1 96 96 LEU CG C 13 26.70 0.2 . 1 . . . . . . . . 5687 1 1171 . 1 1 96 96 LEU CD1 C 13 25.71 0.2 . 2 . . . . . . . . 5687 1 1172 . 1 1 96 96 LEU CD2 C 13 23.55 0.2 . 2 . . . . . . . . 5687 1 1173 . 1 1 96 96 LEU N N 15 119.73 0.2 . 1 . . . . . . . . 5687 1 1174 . 1 1 97 97 GLU H H 1 8.19 0.02 . 1 . . . . . . . . 5687 1 1175 . 1 1 97 97 GLU HA H 1 3.80 0.02 . 1 . . . . . . . . 5687 1 1176 . 1 1 97 97 GLU HB2 H 1 2.01 0.02 . 2 . . . . . . . . 5687 1 1177 . 1 1 97 97 GLU HB3 H 1 2.07 0.02 . 2 . . . . . . . . 5687 1 1178 . 1 1 97 97 GLU HG2 H 1 2.33 0.02 . 2 . . . . . . . . 5687 1 1179 . 1 1 97 97 GLU HG3 H 1 2.24 0.02 . 2 . . . . . . . . 5687 1 1180 . 1 1 97 97 GLU C C 13 178.8 0.2 . 1 . . . . . . . . 5687 1 1181 . 1 1 97 97 GLU CA C 13 59.08 0.2 . 1 . . . . . . . . 5687 1 1182 . 1 1 97 97 GLU CB C 13 28.53 0.2 . 1 . . . . . . . . 5687 1 1183 . 1 1 97 97 GLU CG C 13 34.81 0.2 . 1 . . . . . . . . 5687 1 1184 . 1 1 97 97 GLU N N 15 117.88 0.2 . 1 . . . . . . . . 5687 1 1185 . 1 1 98 98 GLU H H 1 7.40 0.02 . 1 . . . . . . . . 5687 1 1186 . 1 1 98 98 GLU HA H 1 4.11 0.02 . 1 . . . . . . . . 5687 1 1187 . 1 1 98 98 GLU HB2 H 1 2.10 0.02 . 2 . . . . . . . . 5687 1 1188 . 1 1 98 98 GLU HB3 H 1 2.15 0.02 . 2 . . . . . . . . 5687 1 1189 . 1 1 98 98 GLU HG2 H 1 2.33 0.02 . 2 . . . . . . . . 5687 1 1190 . 1 1 98 98 GLU HG3 H 1 2.42 0.02 . 2 . . . . . . . . 5687 1 1191 . 1 1 98 98 GLU C C 13 177.8 0.2 . 1 . . . . . . . . 5687 1 1192 . 1 1 98 98 GLU CA C 13 57.86 0.2 . 1 . . . . . . . . 5687 1 1193 . 1 1 98 98 GLU CB C 13 28.94 0.2 . 1 . . . . . . . . 5687 1 1194 . 1 1 98 98 GLU CG C 13 34.86 0.2 . 1 . . . . . . . . 5687 1 1195 . 1 1 98 98 GLU N N 15 116.45 0.2 . 1 . . . . . . . . 5687 1 1196 . 1 1 99 99 LEU H H 1 7.57 0.02 . 1 . . . . . . . . 5687 1 1197 . 1 1 99 99 LEU HA H 1 4.28 0.02 . 1 . . . . . . . . 5687 1 1198 . 1 1 99 99 LEU HB2 H 1 1.94 0.02 . 2 . . . . . . . . 5687 1 1199 . 1 1 99 99 LEU HB3 H 1 1.65 0.02 . 2 . . . . . . . . 5687 1 1200 . 1 1 99 99 LEU HG H 1 1.76 0.02 . 1 . . . . . . . . 5687 1 1201 . 1 1 99 99 LEU HD11 H 1 0.86 0.02 . 2 . . . . . . . . 5687 1 1202 . 1 1 99 99 LEU HD12 H 1 0.86 0.02 . 2 . . . . . . . . 5687 1 1203 . 1 1 99 99 LEU HD13 H 1 0.86 0.02 . 2 . . . . . . . . 5687 1 1204 . 1 1 99 99 LEU HD21 H 1 0.85 0.02 . 2 . . . . . . . . 5687 1 1205 . 1 1 99 99 LEU HD22 H 1 0.85 0.02 . 2 . . . . . . . . 5687 1 1206 . 1 1 99 99 LEU HD23 H 1 0.85 0.02 . 2 . . . . . . . . 5687 1 1207 . 1 1 99 99 LEU C C 13 178.0 0.2 . 1 . . . . . . . . 5687 1 1208 . 1 1 99 99 LEU CA C 13 55.80 0.2 . 1 . . . . . . . . 5687 1 1209 . 1 1 99 99 LEU CB C 13 42.78 0.2 . 1 . . . . . . . . 5687 1 1210 . 1 1 99 99 LEU CG C 13 26.68 0.2 . 1 . . . . . . . . 5687 1 1211 . 1 1 99 99 LEU CD1 C 13 22.94 0.2 . 2 . . . . . . . . 5687 1 1212 . 1 1 99 99 LEU CD2 C 13 25.77 0.2 . 2 . . . . . . . . 5687 1 1213 . 1 1 99 99 LEU N N 15 118.24 0.2 . 1 . . . . . . . . 5687 1 1214 . 1 1 100 100 VAL H H 1 7.40 0.02 . 1 . . . . . . . . 5687 1 1215 . 1 1 100 100 VAL HA H 1 4.06 0.02 . 1 . . . . . . . . 5687 1 1216 . 1 1 100 100 VAL HB H 1 2.11 0.02 . 1 . . . . . . . . 5687 1 1217 . 1 1 100 100 VAL HG11 H 1 0.81 0.02 . 2 . . . . . . . . 5687 1 1218 . 1 1 100 100 VAL HG12 H 1 0.81 0.02 . 2 . . . . . . . . 5687 1 1219 . 1 1 100 100 VAL HG13 H 1 0.81 0.02 . 2 . . . . . . . . 5687 1 1220 . 1 1 100 100 VAL HG21 H 1 0.92 0.02 . 2 . . . . . . . . 5687 1 1221 . 1 1 100 100 VAL HG22 H 1 0.92 0.02 . 2 . . . . . . . . 5687 1 1222 . 1 1 100 100 VAL HG23 H 1 0.92 0.02 . 2 . . . . . . . . 5687 1 1223 . 1 1 100 100 VAL C C 13 175.8 0.2 . 1 . . . . . . . . 5687 1 1224 . 1 1 100 100 VAL CA C 13 62.49 0.2 . 1 . . . . . . . . 5687 1 1225 . 1 1 100 100 VAL CB C 13 32.3 0.2 . 1 . . . . . . . . 5687 1 1226 . 1 1 100 100 VAL CG1 C 13 21.37 0.2 . 1 . . . . . . . . 5687 1 1227 . 1 1 100 100 VAL CG2 C 13 21.37 0.2 . 1 . . . . . . . . 5687 1 1228 . 1 1 100 100 VAL N N 15 116.24 0.2 . 1 . . . . . . . . 5687 1 1229 . 1 1 101 101 HIS H H 1 8.11 0.02 . 1 . . . . . . . . 5687 1 1230 . 1 1 101 101 HIS HA H 1 4.75 0.02 . 1 . . . . . . . . 5687 1 1231 . 1 1 101 101 HIS HB2 H 1 3.32 0.02 . 2 . . . . . . . . 5687 1 1232 . 1 1 101 101 HIS HB3 H 1 3.24 0.02 . 2 . . . . . . . . 5687 1 1233 . 1 1 101 101 HIS HD2 H 1 7.34 0.02 . 1 . . . . . . . . 5687 1 1234 . 1 1 101 101 HIS C C 13 173.7 0.2 . 1 . . . . . . . . 5687 1 1235 . 1 1 101 101 HIS CA C 13 55.36 0.2 . 1 . . . . . . . . 5687 1 1236 . 1 1 101 101 HIS CB C 13 29.16 0.2 . 1 . . . . . . . . 5687 1 1237 . 1 1 101 101 HIS N N 15 121.93 0.2 . 1 . . . . . . . . 5687 1 1238 . 1 1 102 102 ARG H H 1 8.14 0.02 . 1 . . . . . . . . 5687 1 1239 . 1 1 102 102 ARG HA H 1 4.22 0.02 . 1 . . . . . . . . 5687 1 1240 . 1 1 102 102 ARG HB2 H 1 1.77 0.02 . 2 . . . . . . . . 5687 1 1241 . 1 1 102 102 ARG HB3 H 1 1.90 0.02 . 2 . . . . . . . . 5687 1 1242 . 1 1 102 102 ARG HG2 H 1 1.65 0.02 . 1 . . . . . . . . 5687 1 1243 . 1 1 102 102 ARG HG3 H 1 1.65 0.02 . 1 . . . . . . . . 5687 1 1244 . 1 1 102 102 ARG HD2 H 1 3.20 0.02 . 2 . . . . . . . . 5687 1 1245 . 1 1 102 102 ARG HD3 H 1 3.10 0.02 . 2 . . . . . . . . 5687 1 1246 . 1 1 102 102 ARG C C 13 181.0 0.2 . 1 . . . . . . . . 5687 1 1247 . 1 1 102 102 ARG CA C 13 57.7 0.2 . 1 . . . . . . . . 5687 1 1248 . 1 1 102 102 ARG CB C 13 31.2 0.2 . 1 . . . . . . . . 5687 1 1249 . 1 1 102 102 ARG CG C 13 27.6 0.2 . 1 . . . . . . . . 5687 1 1250 . 1 1 102 102 ARG CD C 13 42 0.2 . 1 . . . . . . . . 5687 1 1251 . 1 1 102 102 ARG N N 15 127.73 0.2 . 1 . . . . . . . . 5687 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_set_500_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_set_500_1 _Heteronucl_NOE_list.Entry_ID 5687 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID . . 1 $sample_1 . 5687 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . . . 2 2 TYR . . . . . . 2 2 TYR . . . 0.416 0.390 . . . . . . . . . . 5687 1 2 . . . 3 3 GLY . . . . . . 3 3 GLY . . . 0.498 0.106 . . . . . . . . . . 5687 1 3 . . . 4 4 LYS . . . . . . 4 4 LYS . . . 0.749 0.115 . . . . . . . . . . 5687 1 4 . . . 5 5 LEU . . . . . . 5 5 LEU . . . 0.784 0.047 . . . . . . . . . . 5687 1 5 . . . 6 6 ASN . . . . . . 6 6 ASN . . . 0.916 0.086 . . . . . . . . . . 5687 1 6 . . . 7 7 ASP . . . . . . 7 7 ASP . . . 0.840 0.097 . . . . . . . . . . 5687 1 7 . . . 8 8 LEU . . . . . . 8 8 LEU . . . 0.702 0.099 . . . . . . . . . . 5687 1 8 . . . 9 9 LEU . . . . . . 9 9 LEU . . . 0.905 0.106 . . . . . . . . . . 5687 1 9 . . . 10 10 GLU . . . . . . 10 10 GLU . . . 0.762 0.086 . . . . . . . . . . 5687 1 10 . . . 11 11 ASP . . . . . . 11 11 ASP . . . 0.774 0.035 . . . . . . . . . . 5687 1 11 . . . 12 12 LEU . . . . . . 12 12 LEU . . . 0.881 0.196 . . . . . . . . . . 5687 1 12 . . . 13 13 GLN . . . . . . 13 13 GLN . . . 0.951 0.069 . . . . . . . . . . 5687 1 13 . . . 14 14 GLU . . . . . . 14 14 GLU . . . 0.859 0.080 . . . . . . . . . . 5687 1 14 . . . 15 15 VAL . . . . . . 15 15 VAL . . . 0.837 0.090 . . . . . . . . . . 5687 1 15 . . . 16 16 LEU . . . . . . 16 16 LEU . . . 0.845 0.089 . . . . . . . . . . 5687 1 16 . . . 17 17 LYS . . . . . . 17 17 LYS . . . 0.883 0.059 . . . . . . . . . . 5687 1 17 . . . 18 18 ASN . . . . . . 18 18 ASN . . . 0.809 0.179 . . . . . . . . . . 5687 1 18 . . . 19 19 LEU . . . . . . 19 19 LEU . . . 0.762 0.170 . . . . . . . . . . 5687 1 19 . . . 20 20 HIS . . . . . . 20 20 HIS . . . 0.889 0.144 . . . . . . . . . . 5687 1 20 . . . 21 21 LYS . . . . . . 21 21 LYS . . . 0.626 0.073 . . . . . . . . . . 5687 1 21 . . . 22 22 ASN . . . . . . 22 22 ASN . . . 0.833 0.116 . . . . . . . . . . 5687 1 22 . . . 23 23 TRP . . . . . . 23 23 TRP . . . 0.660 0.086 . . . . . . . . . . 5687 1 23 . . . 24 24 HIS . . . . . . 24 24 HIS . . . 0.787 0.159 . . . . . . . . . . 5687 1 24 . . . 25 25 GLY . . . . . . 25 25 GLY . . . 0.311 0.094 . . . . . . . . . . 5687 1 25 . . . 26 26 GLY . . . . . . 26 26 GLY . . . 0.745 0.104 . . . . . . . . . . 5687 1 26 . . . 27 27 LYS . . . . . . 27 27 LYS . . . 0.814 0.109 . . . . . . . . . . 5687 1 27 . . . 28 28 ASP . . . . . . 28 28 ASP . . . 0.577 0.069 . . . . . . . . . . 5687 1 28 . . . 29 29 ASN . . . . . . 29 29 ASN . . . 0.733 0.070 . . . . . . . . . . 5687 1 29 . . . 30 30 LEU . . . . . . 30 30 LEU . . . 0.695 0.109 . . . . . . . . . . 5687 1 30 . . . 31 31 HIS . . . . . . 31 31 HIS . . . 0.729 0.106 . . . . . . . . . . 5687 1 31 . . . 32 32 ASP . . . . . . 32 32 ASP . . . 0.778 0.109 . . . . . . . . . . 5687 1 32 . . . 33 33 VAL . . . . . . 33 33 VAL . . . 0.676 0.084 . . . . . . . . . . 5687 1 33 . . . 34 34 ASP . . . . . . 34 34 ASP . . . 0.732 0.071 . . . . . . . . . . 5687 1 34 . . . 35 35 ASN . . . . . . 35 35 ASN . . . 0.709 0.102 . . . . . . . . . . 5687 1 35 . . . 36 36 HIS . . . . . . 36 36 HIS . . . 0.758 0.044 . . . . . . . . . . 5687 1 36 . . . 37 37 LEU . . . . . . 37 37 LEU . . . 0.914 0.128 . . . . . . . . . . 5687 1 37 . . . 38 38 GLN . . . . . . 38 38 GLN . . . 0.706 0.076 . . . . . . . . . . 5687 1 38 . . . 39 39 ASN . . . . . . 39 39 ASN . . . 0.869 0.088 . . . . . . . . . . 5687 1 39 . . . 40 40 VAL . . . . . . 40 40 VAL . . . 0.932 0.085 . . . . . . . . . . 5687 1 40 . . . 41 41 ILE . . . . . . 41 41 ILE . . . 0.853 0.083 . . . . . . . . . . 5687 1 41 . . . 42 42 GLU . . . . . . 42 42 GLU . . . 0.875 0.084 . . . . . . . . . . 5687 1 42 . . . 43 43 ASP . . . . . . 43 43 ASP . . . 0.891 0.072 . . . . . . . . . . 5687 1 43 . . . 44 44 ILE . . . . . . 44 44 ILE . . . 0.798 0.109 . . . . . . . . . . 5687 1 44 . . . 45 45 HIS . . . . . . 45 45 HIS . . . 0.683 0.085 . . . . . . . . . . 5687 1 45 . . . 46 46 ASP . . . . . . 46 46 ASP . . . 0.784 0.081 . . . . . . . . . . 5687 1 46 . . . 47 47 PHE . . . . . . 47 47 PHE . . . 0.799 0.101 . . . . . . . . . . 5687 1 47 . . . 48 48 MET . . . . . . 48 48 MET . . . 0.826 0.053 . . . . . . . . . . 5687 1 48 . . . 49 49 GLN . . . . . . 49 49 GLN . . . 0.794 0.085 . . . . . . . . . . 5687 1 49 . . . 50 50 GLY . . . . . . 50 50 GLY . . . 0.776 0.080 . . . . . . . . . . 5687 1 50 . . . 51 51 GLY . . . . . . 51 51 GLY . . . 0.800 0.081 . . . . . . . . . . 5687 1 51 . . . 52 52 GLY . . . . . . 52 52 GLY . . . 0.799 0.083 . . . . . . . . . . 5687 1 52 . . . 53 53 SER . . . . . . 53 53 SER . . . 0.710 0.092 . . . . . . . . . . 5687 1 53 . . . 54 54 GLY . . . . . . 54 54 GLY . . . 0.851 0.154 . . . . . . . . . . 5687 1 54 . . . 55 55 GLY . . . . . . 55 55 GLY . . . 0.687 0.096 . . . . . . . . . . 5687 1 55 . . . 56 56 LYS . . . . . . 56 56 LYS . . . 0.713 0.110 . . . . . . . . . . 5687 1 56 . . . 57 57 LEU . . . . . . 57 57 LEU . . . 0.808 0.064 . . . . . . . . . . 5687 1 57 . . . 58 58 GLN . . . . . . 58 58 GLN . . . 0.852 0.076 . . . . . . . . . . 5687 1 58 . . . 59 59 GLU . . . . . . 59 59 GLU . . . 0.642 0.075 . . . . . . . . . . 5687 1 59 . . . 60 60 MET . . . . . . 60 60 MET . . . 0.853 0.111 . . . . . . . . . . 5687 1 60 . . . 61 61 MET . . . . . . 61 61 MET . . . 0.754 0.092 . . . . . . . . . . 5687 1 61 . . . 62 62 LYS . . . . . . 62 62 LYS . . . 0.881 0.102 . . . . . . . . . . 5687 1 62 . . . 63 63 GLU . . . . . . 63 63 GLU . . . 0.774 0.035 . . . . . . . . . . 5687 1 63 . . . 64 64 PHE . . . . . . 64 64 PHE . . . 0.895 0.172 . . . . . . . . . . 5687 1 64 . . . 65 65 GLN . . . . . . 65 65 GLN . . . 0.846 0.076 . . . . . . . . . . 5687 1 65 . . . 66 66 GLN . . . . . . 66 66 GLN . . . 0.817 0.092 . . . . . . . . . . 5687 1 66 . . . 67 67 VAL . . . . . . 67 67 VAL . . . 0.700 0.094 . . . . . . . . . . 5687 1 67 . . . 68 68 LEU . . . . . . 68 68 LEU . . . 0.882 0.040 . . . . . . . . . . 5687 1 68 . . . 69 69 ASP . . . . . . 69 69 ASP . . . 0.804 0.077 . . . . . . . . . . 5687 1 69 . . . 70 70 GLU . . . . . . 70 70 GLU . . . 0.702 0.085 . . . . . . . . . . 5687 1 70 . . . 71 71 LEU . . . . . . 71 71 LEU . . . 0.764 0.110 . . . . . . . . . . 5687 1 71 . . . 72 72 ASN . . . . . . 72 72 ASN . . . 0.727 0.090 . . . . . . . . . . 5687 1 72 . . . 73 73 ASN . . . . . . 73 73 ASN . . . 0.810 0.168 . . . . . . . . . . 5687 1 73 . . . 74 74 HIS . . . . . . 74 74 HIS . . . 0.747 0.165 . . . . . . . . . . 5687 1 74 . . . 75 75 LEU . . . . . . 75 75 LEU . . . 0.847 0.039 . . . . . . . . . . 5687 1 75 . . . 76 76 GLN . . . . . . 76 76 GLN . . . 0.751 0.221 . . . . . . . . . . 5687 1 76 . . . 77 77 GLY . . . . . . 77 77 GLY . . . 0.666 0.131 . . . . . . . . . . 5687 1 77 . . . 78 78 GLY . . . . . . 78 78 GLY . . . 0.495 0.069 . . . . . . . . . . 5687 1 78 . . . 79 79 LYS . . . . . . 79 79 LYS . . . 0.562 0.067 . . . . . . . . . . 5687 1 79 . . . 80 80 HIS . . . . . . 80 80 HIS . . . 0.792 0.132 . . . . . . . . . . 5687 1 80 . . . 81 81 THR . . . . . . 81 81 THR . . . 0.672 0.094 . . . . . . . . . . 5687 1 81 . . . 82 82 VAL . . . . . . 82 82 VAL . . . 0.957 0.103 . . . . . . . . . . 5687 1 82 . . . 83 83 HIS . . . . . . 83 83 HIS . . . 0.783 0.075 . . . . . . . . . . 5687 1 83 . . . 84 84 HIS . . . . . . 84 84 HIS . . . 0.839 0.122 . . . . . . . . . . 5687 1 84 . . . 85 85 ILE . . . . . . 85 85 ILE . . . 0.847 0.039 . . . . . . . . . . 5687 1 85 . . . 86 86 GLU . . . . . . 86 86 GLU . . . 0.804 0.105 . . . . . . . . . . 5687 1 86 . . . 87 87 GLN . . . . . . 87 87 GLN . . . 0.703 0.085 . . . . . . . . . . 5687 1 87 . . . 88 88 ASN . . . . . . 88 88 ASN . . . 0.894 0.111 . . . . . . . . . . 5687 1 88 . . . 89 89 ILE . . . . . . 89 89 ILE . . . 0.657 0.122 . . . . . . . . . . 5687 1 89 . . . 90 90 LYS . . . . . . 90 90 LYS . . . 0.799 0.081 . . . . . . . . . . 5687 1 90 . . . 91 91 GLU . . . . . . 91 91 GLU . . . 0.656 0.075 . . . . . . . . . . 5687 1 91 . . . 92 92 ILE . . . . . . 92 92 ILE . . . 0.950 0.091 . . . . . . . . . . 5687 1 92 . . . 93 93 PHE . . . . . . 93 93 PHE . . . 0.787 0.157 . . . . . . . . . . 5687 1 93 . . . 94 94 HIS . . . . . . 94 94 HIS . . . 0.822 0.087 . . . . . . . . . . 5687 1 94 . . . 95 95 HIS . . . . . . 95 95 HIS . . . 0.822 0.087 . . . . . . . . . . 5687 1 95 . . . 96 96 LEU . . . . . . 96 96 LEU . . . 0.849 0.118 . . . . . . . . . . 5687 1 96 . . . 97 97 GLU . . . . . . 97 97 GLU . . . 0.847 0.077 . . . . . . . . . . 5687 1 97 . . . 98 98 GLU . . . . . . 98 98 GLU . . . 0.726 0.073 . . . . . . . . . . 5687 1 98 . . . 99 99 LEU . . . . . . 99 99 LEU . . . 0.656 0.092 . . . . . . . . . . 5687 1 99 . . . 100 100 VAL . . . . . . 100 100 VAL . . . 0.640 0.084 . . . . . . . . . . 5687 1 100 . . . 101 101 HIS . . . . . . 101 101 HIS . . . 0.736 0.096 . . . . . . . . . . 5687 1 101 . . . 102 102 ARG . . . . . . 102 102 ARG . . . 0.545 0.064 . . . . . . . . . . 5687 1 stop_ save_ save_heteronuclear_NOE_set_600_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_set_600_1 _Heteronucl_NOE_list.Entry_ID 5687 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID . . 1 $sample_1 . 5687 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . . . 2 2 TYR . . . . . . 2 2 TYR . . . 0.390 0.216 . . . . . . . . . . 5687 2 2 . . . 3 3 GLY . . . . . . 3 3 GLY . . . 0.592 0.118 . . . . . . . . . . 5687 2 3 . . . 4 4 LYS . . . . . . 4 4 LYS . . . 0.638 0.158 . . . . . . . . . . 5687 2 4 . . . 5 5 LEU . . . . . . 5 5 LEU . . . 0.694 0.124 . . . . . . . . . . 5687 2 5 . . . 6 6 ASN . . . . . . 6 6 ASN . . . 0.720 0.120 . . . . . . . . . . 5687 2 6 . . . 7 7 ASP . . . . . . 7 7 ASP . . . 0.711 0.087 . . . . . . . . . . 5687 2 7 . . . 8 8 LEU . . . . . . 8 8 LEU . . . 0.795 0.127 . . . . . . . . . . 5687 2 8 . . . 9 9 LEU . . . . . . 9 9 LEU . . . 0.753 0.100 . . . . . . . . . . 5687 2 9 . . . 10 10 GLU . . . . . . 10 10 GLU . . . 0.793 0.093 . . . . . . . . . . 5687 2 10 . . . 11 11 ASP . . . . . . 11 11 ASP . . . 0.801 0.061 . . . . . . . . . . 5687 2 11 . . . 12 12 LEU . . . . . . 12 12 LEU . . . 0.824 0.095 . . . . . . . . . . 5687 2 12 . . . 13 13 GLN . . . . . . 13 13 GLN . . . 0.756 0.063 . . . . . . . . . . 5687 2 13 . . . 14 14 GLU . . . . . . 14 14 GLU . . . 0.740 0.086 . . . . . . . . . . 5687 2 14 . . . 15 15 VAL . . . . . . 15 15 VAL . . . 0.780 0.105 . . . . . . . . . . 5687 2 15 . . . 16 16 LEU . . . . . . 16 16 LEU . . . 0.818 0.095 . . . . . . . . . . 5687 2 16 . . . 17 17 LYS . . . . . . 17 17 LYS . . . 0.743 0.051 . . . . . . . . . . 5687 2 17 . . . 18 18 ASN . . . . . . 18 18 ASN . . . 0.764 0.210 . . . . . . . . . . 5687 2 18 . . . 19 19 LEU . . . . . . 19 19 LEU . . . 0.852 0.198 . . . . . . . . . . 5687 2 19 . . . 20 20 HIS . . . . . . 20 20 HIS . . . 0.825 0.150 . . . . . . . . . . 5687 2 20 . . . 21 21 LYS . . . . . . 21 21 LYS . . . 0.724 0.068 . . . . . . . . . . 5687 2 21 . . . 22 22 ASN . . . . . . 22 22 ASN . . . 0.664 0.102 . . . . . . . . . . 5687 2 22 . . . 23 23 TRP . . . . . . 23 23 TRP . . . 0.770 0.086 . . . . . . . . . . 5687 2 23 . . . 24 24 HIS . . . . . . 24 24 HIS . . . 0.681 0.140 . . . . . . . . . . 5687 2 24 . . . 25 25 GLY . . . . . . 25 25 GLY . . . 0.351 0.092 . . . . . . . . . . 5687 2 25 . . . 26 26 GLY . . . . . . 26 26 GLY . . . 0.627 0.101 . . . . . . . . . . 5687 2 26 . . . 27 27 LYS . . . . . . 27 27 LYS . . . 0.673 0.095 . . . . . . . . . . 5687 2 27 . . . 28 28 ASP . . . . . . 28 28 ASP . . . 0.627 0.071 . . . . . . . . . . 5687 2 28 . . . 29 29 ASN . . . . . . 29 29 ASN . . . 0.757 0.078 . . . . . . . . . . 5687 2 29 . . . 30 30 LEU . . . . . . 30 30 LEU . . . 0.711 0.144 . . . . . . . . . . 5687 2 30 . . . 31 31 HIS . . . . . . 31 31 HIS . . . 0.744 0.105 . . . . . . . . . . 5687 2 31 . . . 32 32 ASP . . . . . . 32 32 ASP . . . 0.744 0.111 . . . . . . . . . . 5687 2 32 . . . 33 33 VAL . . . . . . 33 33 VAL . . . 0.804 0.093 . . . . . . . . . . 5687 2 33 . . . 34 34 ASP . . . . . . 34 34 ASP . . . 0.867 0.084 . . . . . . . . . . 5687 2 34 . . . 35 35 ASN . . . . . . 35 35 ASN . . . 0.726 0.096 . . . . . . . . . . 5687 2 35 . . . 36 36 HIS . . . . . . 36 36 HIS . . . 0.868 0.103 . . . . . . . . . . 5687 2 36 . . . 37 37 LEU . . . . . . 37 37 LEU . . . 0.873 0.132 . . . . . . . . . . 5687 2 37 . . . 38 38 GLN . . . . . . 38 38 GLN . . . 0.803 0.089 . . . . . . . . . . 5687 2 38 . . . 39 39 ASN . . . . . . 39 39 ASN . . . 0.810 0.090 . . . . . . . . . . 5687 2 39 . . . 40 40 VAL . . . . . . 40 40 VAL . . . 0.727 0.091 . . . . . . . . . . 5687 2 40 . . . 41 41 ILE . . . . . . 41 41 ILE . . . 0.787 0.099 . . . . . . . . . . 5687 2 41 . . . 42 42 GLU . . . . . . 42 42 GLU . . . 0.765 0.090 . . . . . . . . . . 5687 2 42 . . . 43 43 ASP . . . . . . 43 43 ASP . . . 0.836 0.071 . . . . . . . . . . 5687 2 43 . . . 44 44 ILE . . . . . . 44 44 ILE . . . 0.834 0.109 . . . . . . . . . . 5687 2 44 . . . 45 45 HIS . . . . . . 45 45 HIS . . . 0.824 0.095 . . . . . . . . . . 5687 2 45 . . . 46 46 ASP . . . . . . 46 46 ASP . . . 0.820 0.077 . . . . . . . . . . 5687 2 46 . . . 47 47 PHE . . . . . . 47 47 PHE . . . 0.744 0.105 . . . . . . . . . . 5687 2 47 . . . 48 48 MET . . . . . . 48 48 MET . . . 0.719 0.050 . . . . . . . . . . 5687 2 48 . . . 49 49 GLN . . . . . . 49 49 GLN . . . 0.750 0.099 . . . . . . . . . . 5687 2 49 . . . 50 50 GLY . . . . . . 50 50 GLY . . . 0.508 0.074 . . . . . . . . . . 5687 2 50 . . . 51 51 GLY . . . . . . 51 51 GLY . . . 0.632 0.081 . . . . . . . . . . 5687 2 51 . . . 52 52 GLY . . . . . . 52 52 GLY . . . 0.524 0.074 . . . . . . . . . . 5687 2 52 . . . 53 53 SER . . . . . . 53 53 SER . . . 0.664 0.110 . . . . . . . . . . 5687 2 53 . . . 54 54 GLY . . . . . . 54 54 GLY . . . 0.704 0.132 . . . . . . . . . . 5687 2 54 . . . 55 55 GLY . . . . . . 55 55 GLY . . . 0.682 0.085 . . . . . . . . . . 5687 2 55 . . . 56 56 LYS . . . . . . 56 56 LYS . . . 0.822 0.099 . . . . . . . . . . 5687 2 56 . . . 57 57 LEU . . . . . . 57 57 LEU . . . 0.785 0.085 . . . . . . . . . . 5687 2 57 . . . 58 58 GLN . . . . . . 58 58 GLN . . . 0.758 0.081 . . . . . . . . . . 5687 2 58 . . . 59 59 GLU . . . . . . 59 59 GLU . . . 0.793 0.093 . . . . . . . . . . 5687 2 59 . . . 60 60 MET . . . . . . 60 60 MET . . . 0.826 0.110 . . . . . . . . . . 5687 2 60 . . . 61 61 MET . . . . . . 61 61 MET . . . 0.811 0.110 . . . . . . . . . . 5687 2 61 . . . 62 62 LYS . . . . . . 62 62 LYS . . . 0.720 0.098 . . . . . . . . . . 5687 2 62 . . . 63 63 GLU . . . . . . 63 63 GLU . . . 0.801 0.061 . . . . . . . . . . 5687 2 63 . . . 64 64 PHE . . . . . . 64 64 PHE . . . 0.836 0.201 . . . . . . . . . . 5687 2 64 . . . 65 65 GLN . . . . . . 65 65 GLN . . . 0.776 0.087 . . . . . . . . . . 5687 2 65 . . . 66 66 GLN . . . . . . 66 66 GLN . . . 0.877 0.104 . . . . . . . . . . 5687 2 66 . . . 67 67 VAL . . . . . . 67 67 VAL . . . 0.837 0.106 . . . . . . . . . . 5687 2 67 . . . 68 68 LEU . . . . . . 68 68 LEU . . . 0.856 0.087 . . . . . . . . . . 5687 2 68 . . . 69 69 ASP . . . . . . 69 69 ASP . . . 0.717 0.056 . . . . . . . . . . 5687 2 69 . . . 70 70 GLU . . . . . . 70 70 GLU . . . 0.823 0.089 . . . . . . . . . . 5687 2 70 . . . 71 71 LEU . . . . . . 71 71 LEU . . . 0.824 0.104 . . . . . . . . . . 5687 2 71 . . . 72 72 ASN . . . . . . 72 72 ASN . . . 0.810 0.133 . . . . . . . . . . 5687 2 72 . . . 73 73 ASN . . . . . . 73 73 ASN . . . 0.687 0.178 . . . . . . . . . . 5687 2 73 . . . 74 74 HIS . . . . . . 74 74 HIS . . . 0.700 0.158 . . . . . . . . . . 5687 2 74 . . . 75 75 LEU . . . . . . 75 75 LEU . . . 0.707 0.076 . . . . . . . . . . 5687 2 75 . . . 76 76 GLN . . . . . . 76 76 GLN . . . 0.644 0.229 . . . . . . . . . . 5687 2 76 . . . 77 77 GLY . . . . . . 77 77 GLY . . . 0.643 0.104 . . . . . . . . . . 5687 2 77 . . . 78 78 GLY . . . . . . 78 78 GLY . . . 0.682 0.088 . . . . . . . . . . 5687 2 78 . . . 79 79 LYS . . . . . . 79 79 LYS . . . 0.669 0.082 . . . . . . . . . . 5687 2 79 . . . 80 80 HIS . . . . . . 80 80 HIS . . . 0.816 0.136 . . . . . . . . . . 5687 2 80 . . . 81 81 THR . . . . . . 81 81 THR . . . 0.832 0.114 . . . . . . . . . . 5687 2 81 . . . 82 82 VAL . . . . . . 82 82 VAL . . . 0.709 0.109 . . . . . . . . . . 5687 2 82 . . . 83 83 HIS . . . . . . 83 83 HIS . . . 0.731 0.097 . . . . . . . . . . 5687 2 83 . . . 84 84 HIS . . . . . . 84 84 HIS . . . 0.685 0.149 . . . . . . . . . . 5687 2 84 . . . 85 85 ILE . . . . . . 85 85 ILE . . . 0.783 0.077 . . . . . . . . . . 5687 2 85 . . . 86 86 GLU . . . . . . 86 86 GLU . . . 0.729 0.101 . . . . . . . . . . 5687 2 86 . . . 87 87 GLN . . . . . . 87 87 GLN . . . 0.808 0.102 . . . . . . . . . . 5687 2 87 . . . 88 88 ASN . . . . . . 88 88 ASN . . . 0.811 0.083 . . . . . . . . . . 5687 2 88 . . . 89 89 ILE . . . . . . 89 89 ILE . . . 0.734 0.165 . . . . . . . . . . 5687 2 89 . . . 90 90 LYS . . . . . . 90 90 LYS . . . 0.810 0.099 . . . . . . . . . . 5687 2 90 . . . 91 91 GLU . . . . . . 91 91 GLU . . . 0.866 0.083 . . . . . . . . . . 5687 2 91 . . . 92 92 ILE . . . . . . 92 92 ILE . . . 0.745 0.092 . . . . . . . . . . 5687 2 92 . . . 93 93 PHE . . . . . . 93 93 PHE . . . 0.810 0.169 . . . . . . . . . . 5687 2 93 . . . 94 94 HIS . . . . . . 94 94 HIS . . . 0.850 0.080 . . . . . . . . . . 5687 2 94 . . . 95 95 HIS . . . . . . 95 95 HIS . . . 0.791 0.088 . . . . . . . . . . 5687 2 95 . . . 96 96 LEU . . . . . . 96 96 LEU . . . 0.724 0.120 . . . . . . . . . . 5687 2 96 . . . 97 97 GLU . . . . . . 97 97 GLU . . . 0.717 0.083 . . . . . . . . . . 5687 2 97 . . . 98 98 GLU . . . . . . 98 98 GLU . . . 0.686 0.057 . . . . . . . . . . 5687 2 98 . . . 99 99 LEU . . . . . . 99 99 LEU . . . 0.787 0.100 . . . . . . . . . . 5687 2 99 . . . 100 100 VAL . . . . . . 100 100 VAL . . . 0.638 0.213 . . . . . . . . . . 5687 2 100 . . . 101 101 HIS . . . . . . 101 101 HIS . . . 0.398 0.080 . . . . . . . . . . 5687 2 101 . . . 102 102 ARG . . . . . . 102 102 ARG . . . -0.129 0.027 . . . . . . . . . . 5687 2 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_15N_T1_set_500_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode 15N_T1_set_500_1 _Heteronucl_T1_list.Entry_ID 5687 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $Ex-cond_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 1 $sample_1 . 5687 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 TYR N . . 0.4083 0.0586 . . . . . 5687 1 2 . 1 1 3 3 GLY N . . 0.4836 0.0196 . . . . . 5687 1 3 . 1 1 4 4 LYS N . . 0.4759 0.0182 . . . . . 5687 1 4 . 1 1 5 5 LEU N . . 0.4907 0.0069 . . . . . 5687 1 5 . 1 1 6 6 ASN N . . 0.4900 0.0138 . . . . . 5687 1 6 . 1 1 7 7 ASP N . . 0.4809 0.0148 . . . . . 5687 1 7 . 1 1 8 8 LEU N . . 0.4773 0.0174 . . . . . 5687 1 8 . 1 1 9 9 LEU N . . 0.4772 0.0159 . . . . . 5687 1 9 . 1 1 10 10 GLU N . . 0.4785 0.0143 . . . . . 5687 1 10 . 1 1 11 11 ASP N . . 0.4800 0.0060 . . . . . 5687 1 11 . 1 1 12 12 LEU N . . 0.4894 0.0303 . . . . . 5687 1 12 . 1 1 13 13 GLN N . . 0.4696 0.0140 . . . . . 5687 1 13 . 1 1 14 14 GLU N . . 0.4797 0.0122 . . . . . 5687 1 14 . 1 1 15 15 VAL N . . 0.4719 0.0140 . . . . . 5687 1 15 . 1 1 16 16 LEU N . . 0.4815 0.0143 . . . . . 5687 1 16 . 1 1 17 17 LYS N . . 0.4752 0.0097 . . . . . 5687 1 17 . 1 1 18 18 ASN N . . 0.4890 0.0300 . . . . . 5687 1 18 . 1 1 19 19 LEU N . . 0.4760 0.0329 . . . . . 5687 1 19 . 1 1 20 20 HIS N . . 0.4582 0.0247 . . . . . 5687 1 20 . 1 1 21 21 LYS N . . 0.5042 0.0127 . . . . . 5687 1 21 . 1 1 22 22 ASN N . . 0.5111 0.0201 . . . . . 5687 1 22 . 1 1 23 23 TRP N . . 0.4715 0.0160 . . . . . 5687 1 23 . 1 1 24 24 HIS N . . 0.4689 0.0300 . . . . . 5687 1 24 . 1 1 25 25 GLY N . . 0.5576 0.0218 . . . . . 5687 1 25 . 1 1 26 26 GLY N . . 0.4826 0.0195 . . . . . 5687 1 26 . 1 1 27 27 LYS N . . 0.5141 0.0186 . . . . . 5687 1 27 . 1 1 28 28 ASP N . . 0.4761 0.0125 . . . . . 5687 1 28 . 1 1 29 29 ASN N . . 0.4874 0.0120 . . . . . 5687 1 29 . 1 1 30 30 LEU N . . 0.4836 0.0209 . . . . . 5687 1 30 . 1 1 31 31 HIS N . . 0.4811 0.0196 . . . . . 5687 1 31 . 1 1 32 32 ASP N . . 0.4809 0.0185 . . . . . 5687 1 32 . 1 1 33 33 VAL N . . 0.4869 0.0153 . . . . . 5687 1 33 . 1 1 34 34 ASP N . . 0.4720 0.0124 . . . . . 5687 1 34 . 1 1 35 35 ASN N . . 0.4844 0.0182 . . . . . 5687 1 35 . 1 1 36 36 HIS N . . 0.4745 0.0078 . . . . . 5687 1 36 . 1 1 37 37 LEU N . . 0.4807 0.0211 . . . . . 5687 1 37 . 1 1 38 38 GLN N . . 0.4725 0.0137 . . . . . 5687 1 38 . 1 1 39 39 ASN N . . 0.4716 0.0143 . . . . . 5687 1 39 . 1 1 40 40 VAL N . . 0.4817 0.0137 . . . . . 5687 1 40 . 1 1 41 41 ILE N . . 0.4780 0.0145 . . . . . 5687 1 41 . 1 1 42 42 GLU N . . 0.4683 0.0137 . . . . . 5687 1 42 . 1 1 43 43 ASP N . . 0.4809 0.0119 . . . . . 5687 1 43 . 1 1 44 44 ILE N . . 0.4853 0.0200 . . . . . 5687 1 44 . 1 1 45 45 HIS N . . 0.4733 0.0166 . . . . . 5687 1 45 . 1 1 46 46 ASP N . . 0.4697 0.0135 . . . . . 5687 1 46 . 1 1 47 47 PHE N . . 0.4832 0.0181 . . . . . 5687 1 47 . 1 1 48 48 MET N . . 0.4811 0.0087 . . . . . 5687 1 48 . 1 1 49 49 GLN N . . 0.5023 0.0147 . . . . . 5687 1 49 . 1 1 50 50 GLY N . . 0.5447 0.0153 . . . . . 5687 1 50 . 1 1 51 51 GLY N . . 0.4969 0.0144 . . . . . 5687 1 51 . 1 1 52 52 GLY N . . 0.4776 0.0135 . . . . . 5687 1 52 . 1 1 53 53 SER N . . 0.5350 0.0176 . . . . . 5687 1 53 . 1 1 54 54 GLY N . . 0.4740 0.0274 . . . . . 5687 1 54 . 1 1 55 55 GLY N . . 0.4627 0.0182 . . . . . 5687 1 55 . 1 1 56 56 LYS N . . 0.4624 0.0192 . . . . . 5687 1 56 . 1 1 57 57 LEU N . . 0.4819 0.0110 . . . . . 5687 1 57 . 1 1 58 58 GLN N . . 0.4846 0.0122 . . . . . 5687 1 58 . 1 1 59 59 GLU N . . 0.4807 0.0126 . . . . . 5687 1 59 . 1 1 60 60 MET N . . 0.4774 0.0184 . . . . . 5687 1 60 . 1 1 61 61 MET N . . 0.4730 0.0158 . . . . . 5687 1 61 . 1 1 62 62 LYS N . . 0.4737 0.0155 . . . . . 5687 1 62 . 1 1 63 63 GLU N . . 0.4800 0.0060 . . . . . 5687 1 63 . 1 1 64 64 PHE N . . 0.4718 0.0292 . . . . . 5687 1 64 . 1 1 65 65 GLN N . . 0.4785 0.0122 . . . . . 5687 1 65 . 1 1 66 66 GLN N . . 0.4752 0.0138 . . . . . 5687 1 66 . 1 1 67 67 VAL N . . 0.4892 0.0165 . . . . . 5687 1 67 . 1 1 68 68 LEU N . . 0.4760 0.0077 . . . . . 5687 1 68 . 1 1 69 69 ASP N . . 0.4777 0.0099 . . . . . 5687 1 69 . 1 1 70 70 GLU N . . 0.4848 0.0149 . . . . . 5687 1 70 . 1 1 71 71 LEU N . . 0.4596 0.0179 . . . . . 5687 1 71 . 1 1 72 72 ASN N . . 0.4669 0.0169 . . . . . 5687 1 72 . 1 1 73 73 ASN N . . 0.4711 0.0309 . . . . . 5687 1 73 . 1 1 74 74 HIS N . . 0.4935 0.0310 . . . . . 5687 1 74 . 1 1 75 75 LEU N . . 0.4883 0.0065 . . . . . 5687 1 75 . 1 1 76 76 GLN N . . 0.4614 0.0405 . . . . . 5687 1 76 . 1 1 77 77 GLY N . . 0.5218 0.0241 . . . . . 5687 1 77 . 1 1 78 78 GLY N . . 0.4739 0.0138 . . . . . 5687 1 78 . 1 1 79 79 LYS N . . 0.4731 0.0122 . . . . . 5687 1 79 . 1 1 80 80 HIS N . . 0.3753 0.0213 . . . . . 5687 1 80 . 1 1 81 81 THR N . . 0.4502 0.0155 . . . . . 5687 1 81 . 1 1 82 82 VAL N . . 0.4701 0.0151 . . . . . 5687 1 82 . 1 1 83 83 HIS N . . 0.4646 0.0127 . . . . . 5687 1 83 . 1 1 84 84 HIS N . . 0.4376 0.0192 . . . . . 5687 1 84 . 1 1 85 85 ILE N . . 0.4880 0.0065 . . . . . 5687 1 85 . 1 1 86 86 GLU N . . 0.4721 0.0175 . . . . . 5687 1 86 . 1 1 87 87 GLN N . . 0.4676 0.0142 . . . . . 5687 1 87 . 1 1 88 88 ASN N . . 0.4832 0.0218 . . . . . 5687 1 88 . 1 1 89 89 ILE N . . 0.4847 0.0223 . . . . . 5687 1 89 . 1 1 90 90 LYS N . . 0.4638 0.0129 . . . . . 5687 1 90 . 1 1 91 91 GLU N . . 0.4836 0.0127 . . . . . 5687 1 91 . 1 1 92 92 ILE N . . 0.4682 0.0147 . . . . . 5687 1 92 . 1 1 93 93 PHE N . . 0.4734 0.0266 . . . . . 5687 1 93 . 1 1 94 94 HIS N . . 0.4751 0.0139 . . . . . 5687 1 94 . 1 1 95 95 HIS N . . 0.4751 0.0139 . . . . . 5687 1 95 . 1 1 96 96 LEU N . . 0.4752 0.0195 . . . . . 5687 1 96 . 1 1 97 97 GLU N . . 0.4631 0.0120 . . . . . 5687 1 97 . 1 1 98 98 GLU N . . 0.4789 0.0121 . . . . . 5687 1 98 . 1 1 99 99 LEU N . . 0.4993 0.0159 . . . . . 5687 1 99 . 1 1 100 100 VAL N . . 0.4830 0.0143 . . . . . 5687 1 100 . 1 1 101 101 HIS N . . 0.5005 0.0150 . . . . . 5687 1 101 . 1 1 102 102 ARG N . . 0.6398 0.0107 . . . . . 5687 1 stop_ save_ save_15N_T1_set_600_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode 15N_T1_set_600_1 _Heteronucl_T1_list.Entry_ID 5687 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $Ex-cond_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 1 $sample_1 . 5687 2 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 TYR N . . 0.3964 0.0451 . . . . . 5687 2 2 . 1 1 3 3 GLY N . . 0.5432 0.0233 . . . . . 5687 2 3 . 1 1 4 4 LYS N . . 0.5848 0.0320 . . . . . 5687 2 4 . 1 1 5 5 LEU N . . 0.5959 0.0229 . . . . . 5687 2 5 . 1 1 6 6 ASN N . . 0.6180 0.0256 . . . . . 5687 2 6 . 1 1 7 7 ASP N . . 0.6173 0.0179 . . . . . 5687 2 7 . 1 1 8 8 LEU N . . 0.6101 0.0236 . . . . . 5687 2 8 . 1 1 9 9 LEU N . . 0.6028 0.0192 . . . . . 5687 2 9 . 1 1 10 10 GLU N . . 0.6094 0.0175 . . . . . 5687 2 10 . 1 1 11 11 ASP N . . 0.6086 0.0122 . . . . . 5687 2 11 . 1 1 12 12 LEU N . . 0.6227 0.0195 . . . . . 5687 2 12 . 1 1 13 13 GLN N . . 0.6143 0.0132 . . . . . 5687 2 13 . 1 1 14 14 GLU N . . 0.6031 0.0181 . . . . . 5687 2 14 . 1 1 15 15 VAL N . . 0.5851 0.0211 . . . . . 5687 2 15 . 1 1 16 16 LEU N . . 0.6223 0.0185 . . . . . 5687 2 16 . 1 1 17 17 LYS N . . 0.5984 0.0100 . . . . . 5687 2 17 . 1 1 18 18 ASN N . . 0.6341 0.0433 . . . . . 5687 2 18 . 1 1 19 19 LEU N . . 0.5967 0.0401 . . . . . 5687 2 19 . 1 1 20 20 HIS N . . 0.5540 0.0299 . . . . . 5687 2 20 . 1 1 21 21 LYS N . . 0.6277 0.0137 . . . . . 5687 2 21 . 1 1 22 22 ASN N . . 0.6215 0.0228 . . . . . 5687 2 22 . 1 1 23 23 TRP N . . 0.5685 0.0170 . . . . . 5687 2 23 . 1 1 24 24 HIS N . . 0.5627 0.0323 . . . . . 5687 2 24 . 1 1 25 25 GLY N . . 0.6057 0.0239 . . . . . 5687 2 25 . 1 1 26 26 GLY N . . 0.5519 0.0231 . . . . . 5687 2 26 . 1 1 27 27 LYS N . . 0.6131 0.0206 . . . . . 5687 2 27 . 1 1 28 28 ASP N . . 0.5701 0.0151 . . . . . 5687 2 28 . 1 1 29 29 ASN N . . 0.5821 0.0166 . . . . . 5687 2 29 . 1 1 30 30 LEU N . . 0.6053 0.0315 . . . . . 5687 2 30 . 1 1 31 31 HIS N . . 0.5992 0.0231 . . . . . 5687 2 31 . 1 1 32 32 ASP N . . 0.6024 0.0235 . . . . . 5687 2 32 . 1 1 33 33 VAL N . . 0.6158 0.0185 . . . . . 5687 2 33 . 1 1 34 34 ASP N . . 0.5875 0.0164 . . . . . 5687 2 34 . 1 1 35 35 ASN N . . 0.6064 0.0199 . . . . . 5687 2 35 . 1 1 36 36 HIS N . . 0.5949 0.0208 . . . . . 5687 2 36 . 1 1 37 37 LEU N . . 0.6017 0.0260 . . . . . 5687 2 37 . 1 1 38 38 GLN N . . 0.5959 0.0178 . . . . . 5687 2 38 . 1 1 39 39 ASN N . . 0.5896 0.0183 . . . . . 5687 2 39 . 1 1 40 40 VAL N . . 0.6127 0.0194 . . . . . 5687 2 40 . 1 1 41 41 ILE N . . 0.6090 0.0208 . . . . . 5687 2 41 . 1 1 42 42 GLU N . . 0.5910 0.0180 . . . . . 5687 2 42 . 1 1 43 43 ASP N . . 0.6098 0.0145 . . . . . 5687 2 43 . 1 1 44 44 ILE N . . 0.6250 0.0235 . . . . . 5687 2 44 . 1 1 45 45 HIS N . . 0.6053 0.0202 . . . . . 5687 2 45 . 1 1 46 46 ASP N . . 0.6020 0.0168 . . . . . 5687 2 46 . 1 1 47 47 PHE N . . 0.6188 0.0248 . . . . . 5687 2 47 . 1 1 48 48 MET N . . 0.6165 0.0111 . . . . . 5687 2 48 . 1 1 49 49 GLN N . . 0.6361 0.0196 . . . . . 5687 2 49 . 1 1 50 50 GLY N . . 0.6658 0.0200 . . . . . 5687 2 50 . 1 1 51 51 GLY N . . 0.6079 0.0219 . . . . . 5687 2 51 . 1 1 52 52 GLY N . . 0.5501 0.0164 . . . . . 5687 2 52 . 1 1 53 53 SER N . . 0.6192 0.0230 . . . . . 5687 2 53 . 1 1 54 54 GLY N . . 0.5784 0.0274 . . . . . 5687 2 54 . 1 1 55 55 GLY N . . 0.5583 0.0189 . . . . . 5687 2 55 . 1 1 56 56 LYS N . . 0.5634 0.0183 . . . . . 5687 2 56 . 1 1 57 57 LEU N . . 0.6075 0.0181 . . . . . 5687 2 57 . 1 1 58 58 GLN N . . 0.6154 0.0162 . . . . . 5687 2 58 . 1 1 59 59 GLU N . . 0.6161 0.0162 . . . . . 5687 2 59 . 1 1 60 60 MET N . . 0.6127 0.0242 . . . . . 5687 2 60 . 1 1 61 61 MET N . . 0.6068 0.0218 . . . . . 5687 2 61 . 1 1 62 62 LYS N . . 0.6046 0.0182 . . . . . 5687 2 62 . 1 1 63 63 GLU N . . 0.6098 0.0123 . . . . . 5687 2 63 . 1 1 64 64 PHE N . . 0.6101 0.0415 . . . . . 5687 2 64 . 1 1 65 65 GLN N . . 0.6053 0.0176 . . . . . 5687 2 65 . 1 1 66 66 GLN N . . 0.6120 0.0187 . . . . . 5687 2 66 . 1 1 67 67 VAL N . . 0.6223 0.0195 . . . . . 5687 2 67 . 1 1 68 68 LEU N . . 0.6013 0.0171 . . . . . 5687 2 68 . 1 1 69 69 ASP N . . 0.5992 0.0111 . . . . . 5687 2 69 . 1 1 70 70 GLU N . . 0.6146 0.0178 . . . . . 5687 2 70 . 1 1 71 71 LEU N . . 0.5800 0.0209 . . . . . 5687 2 71 . 1 1 72 72 ASN N . . 0.5893 0.0282 . . . . . 5687 2 72 . 1 1 73 73 ASN N . . 0.5800 0.0384 . . . . . 5687 2 73 . 1 1 74 74 HIS N . . 0.6017 0.0363 . . . . . 5687 2 74 . 1 1 75 75 LEU N . . 0.5764 0.0151 . . . . . 5687 2 75 . 1 1 76 76 GLN N . . 0.5593 0.0574 . . . . . 5687 2 76 . 1 1 77 77 GLY N . . 0.5931 0.0234 . . . . . 5687 2 77 . 1 1 78 78 GLY N . . 0.5501 0.0177 . . . . . 5687 2 78 . 1 1 79 79 LYS N . . 0.5609 0.0156 . . . . . 5687 2 79 . 1 1 80 80 HIS N . . 0.3852 0.0214 . . . . . 5687 2 80 . 1 1 81 81 THR N . . 0.5123 0.0182 . . . . . 5687 2 81 . 1 1 82 82 VAL N . . 0.5734 0.0220 . . . . . 5687 2 82 . 1 1 83 83 HIS N . . 0.5543 0.0194 . . . . . 5687 2 83 . 1 1 84 84 HIS N . . 0.4869 0.0291 . . . . . 5687 2 84 . 1 1 85 85 ILE N . . 0.6219 0.0152 . . . . . 5687 2 85 . 1 1 86 86 GLU N . . 0.6042 0.0221 . . . . . 5687 2 86 . 1 1 87 87 GLN N . . 0.5900 0.0191 . . . . . 5687 2 87 . 1 1 88 88 ASN N . . 0.6211 0.0183 . . . . . 5687 2 88 . 1 1 89 89 ILE N . . 0.6143 0.0342 . . . . . 5687 2 89 . 1 1 90 90 LYS N . . 0.5872 0.0172 . . . . . 5687 2 90 . 1 1 91 91 GLU N . . 0.6169 0.0158 . . . . . 5687 2 91 . 1 1 92 92 ILE N . . 0.6158 0.0180 . . . . . 5687 2 92 . 1 1 93 93 PHE N . . 0.6006 0.0335 . . . . . 5687 2 93 . 1 1 94 94 HIS N . . 0.5875 0.0158 . . . . . 5687 2 94 . 1 1 95 95 HIS N . . 0.5942 0.0181 . . . . . 5687 2 95 . 1 1 96 96 LEU N . . 0.5893 0.0251 . . . . . 5687 2 96 . 1 1 97 97 GLU N . . 0.5831 0.0160 . . . . . 5687 2 97 . 1 1 98 98 GLU N . . 0.6020 0.0111 . . . . . 5687 2 98 . 1 1 99 99 LEU N . . 0.6227 0.0194 . . . . . 5687 2 99 . 1 1 100 100 VAL N . . 0.5924 0.0392 . . . . . 5687 2 100 . 1 1 101 101 HIS N . . 0.6010 0.0187 . . . . . 5687 2 101 . 1 1 102 102 ARG N . . 0.7123 0.0107 . . . . . 5687 2 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_15N_T2_set_500_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode 15N_T2_set_500_1 _Heteronucl_T2_list.Entry_ID 5687 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $Ex-cond_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 500 _Heteronucl_T2_list.T2_coherence_type Ny _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID . . 1 $sample_1 . 5687 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 TYR N . . 0.1229 0.0377 . . . . . . . 5687 1 2 . 1 1 3 3 GLY N . . 0.0913 0.0080 . . . . . . . 5687 1 3 . 1 1 4 4 LYS N . . 0.1132 0.0099 . . . . . . . 5687 1 4 . 1 1 5 5 LEU N . . 0.1108 0.0037 . . . . . . . 5687 1 5 . 1 1 6 6 ASN N . . 0.1102 0.0071 . . . . . . . 5687 1 6 . 1 1 7 7 ASP N . . 0.1059 0.0072 . . . . . . . 5687 1 7 . 1 1 8 8 LEU N . . 0.1069 0.0093 . . . . . . . 5687 1 8 . 1 1 9 9 LEU N . . 0.1035 0.0079 . . . . . . . 5687 1 9 . 1 1 10 10 GLU N . . 0.1056 0.0066 . . . . . . . 5687 1 10 . 1 1 11 11 ASP N . . 0.1054 0.0029 . . . . . . . 5687 1 11 . 1 1 12 12 LEU N . . 0.1095 0.0162 . . . . . . . 5687 1 12 . 1 1 13 13 GLN N . . 0.1042 0.0060 . . . . . . . 5687 1 13 . 1 1 14 14 GLU N . . 0.1040 0.0061 . . . . . . . 5687 1 14 . 1 1 15 15 VAL N . . 0.1019 0.0070 . . . . . . . 5687 1 15 . 1 1 16 16 LEU N . . 0.1022 0.0068 . . . . . . . 5687 1 16 . 1 1 17 17 LYS N . . 0.1106 0.0047 . . . . . . . 5687 1 17 . 1 1 18 18 ASN N . . 0.0824 0.0123 . . . . . . . 5687 1 18 . 1 1 19 19 LEU N . . 0.1072 0.0181 . . . . . . . 5687 1 19 . 1 1 20 20 HIS N . . 0.1043 0.0118 . . . . . . . 5687 1 20 . 1 1 21 21 LYS N . . 0.1226 0.0071 . . . . . . . 5687 1 21 . 1 1 22 22 ASN N . . 0.1218 0.0109 . . . . . . . 5687 1 22 . 1 1 23 23 TRP N . . 0.1298 0.0096 . . . . . . . 5687 1 23 . 1 1 24 24 HIS N . . 0.0866 0.0127 . . . . . . . 5687 1 24 . 1 1 25 25 GLY N . . 0.1829 0.0185 . . . . . . . 5687 1 25 . 1 1 26 26 GLY N . . 0.1626 0.0159 . . . . . . . 5687 1 26 . 1 1 27 27 LYS N . . 0.1237 0.0100 . . . . . . . 5687 1 27 . 1 1 28 28 ASP N . . 0.1252 0.0072 . . . . . . . 5687 1 28 . 1 1 29 29 ASN N . . 0.1235 0.0067 . . . . . . . 5687 1 29 . 1 1 30 30 LEU N . . 0.1078 0.0110 . . . . . . . 5687 1 30 . 1 1 31 31 HIS N . . 0.1092 0.0103 . . . . . . . 5687 1 31 . 1 1 32 32 ASP N . . 0.1085 0.0094 . . . . . . . 5687 1 32 . 1 1 33 33 VAL N . . 0.1055 0.0074 . . . . . . . 5687 1 33 . 1 1 34 34 ASP N . . 0.1038 0.0060 . . . . . . . 5687 1 34 . 1 1 35 35 ASN N . . 0.1017 0.0086 . . . . . . . 5687 1 35 . 1 1 36 36 HIS N . . 0.1088 0.0038 . . . . . . . 5687 1 36 . 1 1 37 37 LEU N . . 0.0985 0.0096 . . . . . . . 5687 1 37 . 1 1 38 38 GLN N . . 0.1030 0.0068 . . . . . . . 5687 1 38 . 1 1 39 39 ASN N . . 0.1059 0.0067 . . . . . . . 5687 1 39 . 1 1 40 40 VAL N . . 0.1021 0.0065 . . . . . . . 5687 1 40 . 1 1 41 41 ILE N . . 0.1051 0.0071 . . . . . . . 5687 1 41 . 1 1 42 42 GLU N . . 0.1059 0.0066 . . . . . . . 5687 1 42 . 1 1 43 43 ASP N . . 0.1019 0.0058 . . . . . . . 5687 1 43 . 1 1 44 44 ILE N . . 0.1031 0.0096 . . . . . . . 5687 1 44 . 1 1 45 45 HIS N . . 0.1044 0.0083 . . . . . . . 5687 1 45 . 1 1 46 46 ASP N . . 0.1085 0.0070 . . . . . . . 5687 1 46 . 1 1 47 47 PHE N . . 0.0996 0.0084 . . . . . . . 5687 1 47 . 1 1 48 48 MET N . . 0.1060 0.0043 . . . . . . . 5687 1 48 . 1 1 49 49 GLN N . . 0.1233 0.0093 . . . . . . . 5687 1 49 . 1 1 50 50 GLY N . . 0.1521 0.0106 . . . . . . . 5687 1 50 . 1 1 51 51 GLY N . . 0.1456 0.0098 . . . . . . . 5687 1 51 . 1 1 52 52 GLY N . . 0.1686 0.0123 . . . . . . . 5687 1 52 . 1 1 53 53 SER N . . 0.1421 0.0112 . . . . . . . 5687 1 53 . 1 1 54 54 GLY N . . 0.1217 0.0160 . . . . . . . 5687 1 54 . 1 1 55 55 GLY N . . 0.1225 0.0107 . . . . . . . 5687 1 55 . 1 1 56 56 LYS N . . 0.1064 0.0100 . . . . . . . 5687 1 56 . 1 1 57 57 LEU N . . 0.1079 0.0056 . . . . . . . 5687 1 57 . 1 1 58 58 GLN N . . 0.1137 0.0065 . . . . . . . 5687 1 58 . 1 1 59 59 GLU N . . 0.1105 0.0067 . . . . . . . 5687 1 59 . 1 1 60 60 MET N . . 0.1038 0.0093 . . . . . . . 5687 1 60 . 1 1 61 61 MET N . . 0.1038 0.0076 . . . . . . . 5687 1 61 . 1 1 62 62 LYS N . . 0.1101 0.0083 . . . . . . . 5687 1 62 . 1 1 63 63 GLU N . . 0.1054 0.0029 . . . . . . . 5687 1 63 . 1 1 64 64 PHE N . . 0.1027 0.0148 . . . . . . . 5687 1 64 . 1 1 65 65 GLN N . . 0.1088 0.0062 . . . . . . . 5687 1 65 . 1 1 66 66 GLN N . . 0.1101 0.0075 . . . . . . . 5687 1 66 . 1 1 67 67 VAL N . . 0.1072 0.0080 . . . . . . . 5687 1 67 . 1 1 68 68 LEU N . . 0.1046 0.0032 . . . . . . . 5687 1 68 . 1 1 69 69 ASP N . . 0.1097 0.0058 . . . . . . . 5687 1 69 . 1 1 70 70 GLU N . . 0.1063 0.0073 . . . . . . . 5687 1 70 . 1 1 71 71 LEU N . . 0.1079 0.0088 . . . . . . . 5687 1 71 . 1 1 72 72 ASN N . . 0.1120 0.0088 . . . . . . . 5687 1 72 . 1 1 73 73 ASN N . . 0.0901 0.0133 . . . . . . . 5687 1 73 . 1 1 74 74 HIS N . . 0.0902 0.0138 . . . . . . . 5687 1 74 . 1 1 75 75 LEU N . . 0.1122 0.0032 . . . . . . . 5687 1 75 . 1 1 76 76 GLN N . . 0.0584 0.0129 . . . . . . . 5687 1 76 . 1 1 77 77 GLY N . . 0.1200 0.0125 . . . . . . . 5687 1 77 . 1 1 78 78 GLY N . . 0.1407 0.0095 . . . . . . . 5687 1 78 . 1 1 79 79 LYS N . . 0.1081 0.0060 . . . . . . . 5687 1 79 . 1 1 80 80 HIS N . . 0.0992 0.0112 . . . . . . . 5687 1 80 . 1 1 81 81 THR N . . 0.0950 0.0071 . . . . . . . 5687 1 81 . 1 1 82 82 VAL N . . 0.1082 0.0078 . . . . . . . 5687 1 82 . 1 1 83 83 HIS N . . 0.0924 0.0055 . . . . . . . 5687 1 83 . 1 1 84 84 HIS N . . 0.0979 0.0096 . . . . . . . 5687 1 84 . 1 1 85 85 ILE N . . 0.1110 0.0033 . . . . . . . 5687 1 85 . 1 1 86 86 GLU N . . 0.0861 0.0069 . . . . . . . 5687 1 86 . 1 1 87 87 GLN N . . 0.1011 0.0071 . . . . . . . 5687 1 87 . 1 1 88 88 ASN N . . 0.0990 0.0107 . . . . . . . 5687 1 88 . 1 1 89 89 ILE N . . 0.1040 0.0137 . . . . . . . 5687 1 89 . 1 1 90 90 LYS N . . 0.1099 0.0070 . . . . . . . 5687 1 90 . 1 1 91 91 GLU N . . 0.1118 0.0065 . . . . . . . 5687 1 91 . 1 1 92 92 ILE N . . 0.1070 0.0073 . . . . . . . 5687 1 92 . 1 1 93 93 PHE N . . 0.1017 0.0130 . . . . . . . 5687 1 93 . 1 1 94 94 HIS N . . 0.1099 0.0073 . . . . . . . 5687 1 94 . 1 1 95 95 HIS N . . 0.1099 0.0073 . . . . . . . 5687 1 95 . 1 1 96 96 LEU N . . 0.0963 0.0089 . . . . . . . 5687 1 96 . 1 1 97 97 GLU N . . 0.1112 0.0065 . . . . . . . 5687 1 97 . 1 1 98 98 GLU N . . 0.1145 0.0072 . . . . . . . 5687 1 98 . 1 1 99 99 LEU N . . 0.1200 0.0087 . . . . . . . 5687 1 99 . 1 1 100 100 VAL N . . 0.1084 0.0088 . . . . . . . 5687 1 100 . 1 1 101 101 HIS N . . 0.1355 0.0090 . . . . . . . 5687 1 101 . 1 1 102 102 ARG N . . 0.2978 0.0160 . . . . . . . 5687 1 stop_ save_ save_15N_T2_set_600_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode 15N_T2_set_600_1 _Heteronucl_T2_list.Entry_ID 5687 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $Ex-cond_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type Ny _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID . . 1 $sample_1 . 5687 2 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 TYR N . . 0.1151 0.0105 . . . . . . . 5687 2 2 . 1 1 3 3 GLY N . . 0.0716 0.0029 . . . . . . . 5687 2 3 . 1 1 4 4 LYS N . . 0.0919 0.0044 . . . . . . . 5687 2 4 . 1 1 5 5 LEU N . . 0.0929 0.0026 . . . . . . . 5687 2 5 . 1 1 6 6 ASN N . . 0.0923 0.0036 . . . . . . . 5687 2 6 . 1 1 7 7 ASP N . . 0.0908 0.0023 . . . . . . . 5687 2 7 . 1 1 8 8 LEU N . . 0.0915 0.0033 . . . . . . . 5687 2 8 . 1 1 9 9 LEU N . . 0.0896 0.0026 . . . . . . . 5687 2 9 . 1 1 10 10 GLU N . . 0.0874 0.0022 . . . . . . . 5687 2 10 . 1 1 11 11 ASP N . . 0.0899 0.0017 . . . . . . . 5687 2 11 . 1 1 12 12 LEU N . . 0.0854 0.0021 . . . . . . . 5687 2 12 . 1 1 13 13 GLN N . . 0.0867 0.0021 . . . . . . . 5687 2 13 . 1 1 14 14 GLU N . . 0.0942 0.0026 . . . . . . . 5687 2 14 . 1 1 15 15 VAL N . . 0.0859 0.0027 . . . . . . . 5687 2 15 . 1 1 16 16 LEU N . . 0.0870 0.0023 . . . . . . . 5687 2 16 . 1 1 17 17 LYS N . . 0.0923 0.0015 . . . . . . . 5687 2 17 . 1 1 18 18 ASN N . . 0.0716 0.0047 . . . . . . . 5687 2 18 . 1 1 19 19 LEU N . . 0.1027 0.0066 . . . . . . . 5687 2 19 . 1 1 20 20 HIS N . . 0.0942 0.0044 . . . . . . . 5687 2 20 . 1 1 21 21 LYS N . . 0.1023 0.0021 . . . . . . . 5687 2 21 . 1 1 22 22 ASN N . . 0.1124 0.0038 . . . . . . . 5687 2 22 . 1 1 23 23 TRP N . . 0.1181 0.0035 . . . . . . . 5687 2 23 . 1 1 24 24 HIS N . . 0.0723 0.0036 . . . . . . . 5687 2 24 . 1 1 25 25 GLY N . . 0.1365 0.0052 . . . . . . . 5687 2 25 . 1 1 26 26 GLY N . . 0.1298 0.0052 . . . . . . . 5687 2 26 . 1 1 27 27 LYS N . . 0.1133 0.0037 . . . . . . . 5687 2 27 . 1 1 28 28 ASP N . . 0.1077 0.0028 . . . . . . . 5687 2 28 . 1 1 29 29 ASN N . . 0.1040 0.0025 . . . . . . . 5687 2 29 . 1 1 30 30 LEU N . . 0.0972 0.0049 . . . . . . . 5687 2 30 . 1 1 31 31 HIS N . . 0.0917 0.0032 . . . . . . . 5687 2 31 . 1 1 32 32 ASP N . . 0.0898 0.0029 . . . . . . . 5687 2 32 . 1 1 33 33 VAL N . . 0.0923 0.0025 . . . . . . . 5687 2 33 . 1 1 34 34 ASP N . . 0.0879 0.0023 . . . . . . . 5687 2 34 . 1 1 35 35 ASN N . . 0.0849 0.0026 . . . . . . . 5687 2 35 . 1 1 36 36 HIS N . . 0.0894 0.0028 . . . . . . . 5687 2 36 . 1 1 37 37 LEU N . . 0.0850 0.0035 . . . . . . . 5687 2 37 . 1 1 38 38 GLN N . . 0.0878 0.0024 . . . . . . . 5687 2 38 . 1 1 39 39 ASN N . . 0.0891 0.0024 . . . . . . . 5687 2 39 . 1 1 40 40 VAL N . . 0.0875 0.0026 . . . . . . . 5687 2 40 . 1 1 41 41 ILE N . . 0.0924 0.0029 . . . . . . . 5687 2 41 . 1 1 42 42 GLU N . . 0.0896 0.0025 . . . . . . . 5687 2 42 . 1 1 43 43 ASP N . . 0.0869 0.0020 . . . . . . . 5687 2 43 . 1 1 44 44 ILE N . . 0.0929 0.0033 . . . . . . . 5687 2 44 . 1 1 45 45 HIS N . . 0.0892 0.0027 . . . . . . . 5687 2 45 . 1 1 46 46 ASP N . . 0.0912 0.0023 . . . . . . . 5687 2 46 . 1 1 47 47 PHE N . . 0.0838 0.0032 . . . . . . . 5687 2 47 . 1 1 48 48 MET N . . 0.0897 0.0015 . . . . . . . 5687 2 48 . 1 1 49 49 GLN N . . 0.0981 0.0025 . . . . . . . 5687 2 49 . 1 1 50 50 GLY N . . 0.1302 0.0035 . . . . . . . 5687 2 50 . 1 1 51 51 GLY N . . 0.1130 0.0036 . . . . . . . 5687 2 51 . 1 1 52 52 GLY N . . 0.1361 0.0040 . . . . . . . 5687 2 52 . 1 1 53 53 SER N . . 0.1255 0.0044 . . . . . . . 5687 2 53 . 1 1 54 54 GLY N . . 0.1177 0.0056 . . . . . . . 5687 2 54 . 1 1 55 55 GLY N . . 0.1128 0.0036 . . . . . . . 5687 2 55 . 1 1 56 56 LYS N . . 0.1015 0.0032 . . . . . . . 5687 2 56 . 1 1 57 57 LEU N . . 0.0914 0.0024 . . . . . . . 5687 2 57 . 1 1 58 58 GLN N . . 0.0970 0.0024 . . . . . . . 5687 2 58 . 1 1 59 59 GLU N . . 0.0901 0.0020 . . . . . . . 5687 2 59 . 1 1 60 60 MET N . . 0.0911 0.0036 . . . . . . . 5687 2 60 . 1 1 61 61 MET N . . 0.0874 0.0030 . . . . . . . 5687 2 61 . 1 1 62 62 LYS N . . 0.0963 0.0028 . . . . . . . 5687 2 62 . 1 1 63 63 GLU N . . 0.0905 0.0017 . . . . . . . 5687 2 63 . 1 1 64 64 PHE N . . 0.0855 0.0056 . . . . . . . 5687 2 64 . 1 1 65 65 GLN N . . 0.0924 0.0024 . . . . . . . 5687 2 65 . 1 1 66 66 GLN N . . 0.0936 0.0026 . . . . . . . 5687 2 66 . 1 1 67 67 VAL N . . 0.0905 0.0026 . . . . . . . 5687 2 67 . 1 1 68 68 LEU N . . 0.0863 0.0023 . . . . . . . 5687 2 68 . 1 1 69 69 ASP N . . 0.0939 0.0014 . . . . . . . 5687 2 69 . 1 1 70 70 GLU N . . 0.0894 0.0022 . . . . . . . 5687 2 70 . 1 1 71 71 LEU N . . 0.0908 0.0029 . . . . . . . 5687 2 71 . 1 1 72 72 ASN N . . 0.0932 0.0040 . . . . . . . 5687 2 72 . 1 1 73 73 ASN N . . 0.0810 0.0053 . . . . . . . 5687 2 73 . 1 1 74 74 HIS N . . 0.0810 0.0045 . . . . . . . 5687 2 74 . 1 1 75 75 LEU N . . 0.0969 0.0027 . . . . . . . 5687 2 75 . 1 1 76 76 GLN N . . 0.0428 0.0047 . . . . . . . 5687 2 76 . 1 1 77 77 GLY N . . 0.1033 0.0036 . . . . . . . 5687 2 77 . 1 1 78 78 GLY N . . 0.1143 0.0034 . . . . . . . 5687 2 78 . 1 1 79 79 LYS N . . 0.0887 0.0022 . . . . . . . 5687 2 79 . 1 1 80 80 HIS N . . 0.0867 0.0035 . . . . . . . 5687 2 80 . 1 1 81 81 THR N . . 0.0759 0.0022 . . . . . . . 5687 2 81 . 1 1 82 82 VAL N . . 0.0897 0.0030 . . . . . . . 5687 2 82 . 1 1 83 83 HIS N . . 0.0693 0.0021 . . . . . . . 5687 2 83 . 1 1 84 84 HIS N . . 0.0821 0.0037 . . . . . . . 5687 2 84 . 1 1 85 85 ILE N . . 0.0903 0.0019 . . . . . . . 5687 2 85 . 1 1 86 86 GLU N . . 0.0608 0.0023 . . . . . . . 5687 2 86 . 1 1 87 87 GLN N . . 0.0818 0.0024 . . . . . . . 5687 2 87 . 1 1 88 88 ASN N . . 0.0833 0.0026 . . . . . . . 5687 2 88 . 1 1 89 89 ILE N . . 0.0842 0.0040 . . . . . . . 5687 2 89 . 1 1 90 90 LYS N . . 0.0957 0.0029 . . . . . . . 5687 2 90 . 1 1 91 91 GLU N . . 0.0911 0.0020 . . . . . . . 5687 2 91 . 1 1 92 92 ILE N . . 0.0889 0.0025 . . . . . . . 5687 2 92 . 1 1 93 93 PHE N . . 0.0850 0.0043 . . . . . . . 5687 2 93 . 1 1 94 94 HIS N . . 0.0936 0.0023 . . . . . . . 5687 2 94 . 1 1 95 95 HIS N . . 0.0937 0.0026 . . . . . . . 5687 2 95 . 1 1 96 96 LEU N . . 0.0791 0.0030 . . . . . . . 5687 2 96 . 1 1 97 97 GLU N . . 0.0949 0.0023 . . . . . . . 5687 2 97 . 1 1 98 98 GLU N . . 0.0929 0.0016 . . . . . . . 5687 2 98 . 1 1 99 99 LEU N . . 0.1007 0.0028 . . . . . . . 5687 2 99 . 1 1 100 100 VAL N . . 0.0856 0.0057 . . . . . . . 5687 2 100 . 1 1 101 101 HIS N . . 0.1181 0.0038 . . . . . . . 5687 2 101 . 1 1 102 102 ARG N . . 0.2061 0.0039 . . . . . . . 5687 2 stop_ save_