data_5603 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5603 _Entry.Title ; Chemical shift assignment for human proguanylin ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2002-11-28 _Entry.Accession_date 2002-12-02 _Entry.Last_release_date 2003-08-01 _Entry.Original_release_date 2003-08-01 _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 Thomas Lauber . . . 5603 2 Philipp Neudecker . . . 5603 3 Paul Roesch . . . 5603 4 Ute Marx . C. . 5603 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5603 coupling_constants 1 5603 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 635 5603 '13C chemical shifts' 268 5603 '15N chemical shifts' 95 5603 'coupling constants' 30 5603 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-08-01 2002-11-28 original author . 5603 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5603 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22703861 _Citation.DOI . _Citation.PubMed_ID 12707255 _Citation.Full_citation . _Citation.Title 'Solution Structure of Human Proguanylin: The Role of a Hormone Prosequence' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 278 _Citation.Journal_issue 26 _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 24118 _Citation.Page_last 24124 _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 Thomas Lauber . . . 5603 1 2 Philipp Neudecker . . . 5603 1 3 Paul Rosch . . . 5603 1 4 Ute Marx . C. . 5603 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID proguanylin 5603 1 guanylin 5603 1 precursor 5603 1 prosequence 5603 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5603 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Johnson, B. A. & Blevins, R. A. (1994). NMRView: A computer program for the visualization and analysis of NMR data. J. Biomol. NMR 4, 603-614." ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_guanylin_precursor _Assembly.Sf_category assembly _Assembly.Sf_framecode guanylin_precursor _Assembly.Entry_ID 5603 _Assembly.ID 1 _Assembly.Name proguanylin _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _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 5603 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 proguanylin 1 $proguanylin . . . native . . . . . 5603 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 50 50 SG . 1 . 1 CYS 63 63 SG . . . . . . . . . . 5603 1 2 disulfide single . 1 . 1 CYS 85 85 SG . 1 . 1 CYS 93 93 SG . . . . . . . . . . 5603 1 3 disulfide single . 1 . 1 CYS 88 88 SG . 1 . 1 CYS 96 96 SG . . . . . . . . . . 5603 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1O8R . . . . . . 5603 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID proguanylin system 5603 1 'guanylin precursor' abbreviation 5603 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_proguanylin _Entity.Sf_category entity _Entity.Sf_framecode proguanylin _Entity.Entry_ID 5603 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name proguanylin _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 ; GPVTVQDGNFSFSLESVKKL KDLQEPQEPRVGKLRNFAPI PGEPVVPILCSNPNFPEELK PLCKEPNAQEILQRLEEIAE DPGTCEICAYAACTGC ; _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10491 _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 1O8R . "Solution Structure Of Human Proguanylin" . . . . . 97.92 94 100.00 100.00 4.84e-59 . . . . 5603 1 2 no EMBL CAC22258 . "guanylate cyclase activating protein [Homo sapiens]" . . . . . 100.00 115 98.96 98.96 7.47e-60 . . . . 5603 1 3 no GB AAA35915 . "guanylin [Homo sapiens]" . . . . . 100.00 115 98.96 98.96 7.47e-60 . . . . 5603 1 4 no GB AAA58625 . "guanylin [Homo sapiens]" . . . . . 100.00 115 98.96 98.96 7.47e-60 . . . . 5603 1 5 no GB AAI40429 . "Guanylate cyclase activator 2A (guanylin), partial [synthetic construct]" . . . . . 100.00 115 98.96 98.96 5.69e-60 . . . . 5603 1 6 no GB AAI56567 . "Guanylate cyclase activator 2A (guanylin) [synthetic construct]" . . . . . 100.00 115 98.96 98.96 5.69e-60 . . . . 5603 1 7 no GB EAX07168 . "guanylate cyclase activator 2A (guanylin) [Homo sapiens]" . . . . . 100.00 115 98.96 98.96 5.69e-60 . . . . 5603 1 8 no REF NP_291031 . "guanylin precursor [Homo sapiens]" . . . . . 100.00 115 98.96 98.96 5.69e-60 . . . . 5603 1 9 no REF XP_003812931 . "PREDICTED: guanylin [Pan paniscus]" . . . . . 100.00 115 97.92 97.92 4.05e-59 . . . . 5603 1 10 no SP Q02747 . "RecName: Full=Guanylin; AltName: Full=Guanylate cyclase activator 2A; AltName: Full=Guanylate cyclase-activating protein 1; Alt" . . . . . 100.00 115 98.96 98.96 5.69e-60 . . . . 5603 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID proguanylin common 5603 1 proguanylin abbreviation 5603 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 -2 GLY . 5603 1 2 -1 PRO . 5603 1 3 1 VAL . 5603 1 4 2 THR . 5603 1 5 3 VAL . 5603 1 6 4 GLN . 5603 1 7 5 ASP . 5603 1 8 6 GLY . 5603 1 9 7 ASN . 5603 1 10 8 PHE . 5603 1 11 9 SER . 5603 1 12 10 PHE . 5603 1 13 11 SER . 5603 1 14 12 LEU . 5603 1 15 13 GLU . 5603 1 16 14 SER . 5603 1 17 15 VAL . 5603 1 18 16 LYS . 5603 1 19 17 LYS . 5603 1 20 18 LEU . 5603 1 21 19 LYS . 5603 1 22 20 ASP . 5603 1 23 21 LEU . 5603 1 24 22 GLN . 5603 1 25 23 GLU . 5603 1 26 24 PRO . 5603 1 27 25 GLN . 5603 1 28 26 GLU . 5603 1 29 27 PRO . 5603 1 30 28 ARG . 5603 1 31 29 VAL . 5603 1 32 30 GLY . 5603 1 33 31 LYS . 5603 1 34 32 LEU . 5603 1 35 33 ARG . 5603 1 36 34 ASN . 5603 1 37 35 PHE . 5603 1 38 36 ALA . 5603 1 39 37 PRO . 5603 1 40 38 ILE . 5603 1 41 39 PRO . 5603 1 42 40 GLY . 5603 1 43 41 GLU . 5603 1 44 42 PRO . 5603 1 45 43 VAL . 5603 1 46 44 VAL . 5603 1 47 45 PRO . 5603 1 48 46 ILE . 5603 1 49 47 LEU . 5603 1 50 48 CYS . 5603 1 51 49 SER . 5603 1 52 50 ASN . 5603 1 53 51 PRO . 5603 1 54 52 ASN . 5603 1 55 53 PHE . 5603 1 56 54 PRO . 5603 1 57 55 GLU . 5603 1 58 56 GLU . 5603 1 59 57 LEU . 5603 1 60 58 LYS . 5603 1 61 59 PRO . 5603 1 62 60 LEU . 5603 1 63 61 CYS . 5603 1 64 62 LYS . 5603 1 65 63 GLU . 5603 1 66 64 PRO . 5603 1 67 65 ASN . 5603 1 68 66 ALA . 5603 1 69 67 GLN . 5603 1 70 68 GLU . 5603 1 71 69 ILE . 5603 1 72 70 LEU . 5603 1 73 71 GLN . 5603 1 74 72 ARG . 5603 1 75 73 LEU . 5603 1 76 74 GLU . 5603 1 77 75 GLU . 5603 1 78 76 ILE . 5603 1 79 77 ALA . 5603 1 80 78 GLU . 5603 1 81 79 ASP . 5603 1 82 80 PRO . 5603 1 83 81 GLY . 5603 1 84 82 THR . 5603 1 85 83 CYS . 5603 1 86 84 GLU . 5603 1 87 85 ILE . 5603 1 88 86 CYS . 5603 1 89 87 ALA . 5603 1 90 88 TYR . 5603 1 91 89 ALA . 5603 1 92 90 ALA . 5603 1 93 91 CYS . 5603 1 94 92 THR . 5603 1 95 93 GLY . 5603 1 96 94 CYS . 5603 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 5603 1 . PRO 2 2 5603 1 . VAL 3 3 5603 1 . THR 4 4 5603 1 . VAL 5 5 5603 1 . GLN 6 6 5603 1 . ASP 7 7 5603 1 . GLY 8 8 5603 1 . ASN 9 9 5603 1 . PHE 10 10 5603 1 . SER 11 11 5603 1 . PHE 12 12 5603 1 . SER 13 13 5603 1 . LEU 14 14 5603 1 . GLU 15 15 5603 1 . SER 16 16 5603 1 . VAL 17 17 5603 1 . LYS 18 18 5603 1 . LYS 19 19 5603 1 . LEU 20 20 5603 1 . LYS 21 21 5603 1 . ASP 22 22 5603 1 . LEU 23 23 5603 1 . GLN 24 24 5603 1 . GLU 25 25 5603 1 . PRO 26 26 5603 1 . GLN 27 27 5603 1 . GLU 28 28 5603 1 . PRO 29 29 5603 1 . ARG 30 30 5603 1 . VAL 31 31 5603 1 . GLY 32 32 5603 1 . LYS 33 33 5603 1 . LEU 34 34 5603 1 . ARG 35 35 5603 1 . ASN 36 36 5603 1 . PHE 37 37 5603 1 . ALA 38 38 5603 1 . PRO 39 39 5603 1 . ILE 40 40 5603 1 . PRO 41 41 5603 1 . GLY 42 42 5603 1 . GLU 43 43 5603 1 . PRO 44 44 5603 1 . VAL 45 45 5603 1 . VAL 46 46 5603 1 . PRO 47 47 5603 1 . ILE 48 48 5603 1 . LEU 49 49 5603 1 . CYS 50 50 5603 1 . SER 51 51 5603 1 . ASN 52 52 5603 1 . PRO 53 53 5603 1 . ASN 54 54 5603 1 . PHE 55 55 5603 1 . PRO 56 56 5603 1 . GLU 57 57 5603 1 . GLU 58 58 5603 1 . LEU 59 59 5603 1 . LYS 60 60 5603 1 . PRO 61 61 5603 1 . LEU 62 62 5603 1 . CYS 63 63 5603 1 . LYS 64 64 5603 1 . GLU 65 65 5603 1 . PRO 66 66 5603 1 . ASN 67 67 5603 1 . ALA 68 68 5603 1 . GLN 69 69 5603 1 . GLU 70 70 5603 1 . ILE 71 71 5603 1 . LEU 72 72 5603 1 . GLN 73 73 5603 1 . ARG 74 74 5603 1 . LEU 75 75 5603 1 . GLU 76 76 5603 1 . GLU 77 77 5603 1 . ILE 78 78 5603 1 . ALA 79 79 5603 1 . GLU 80 80 5603 1 . ASP 81 81 5603 1 . PRO 82 82 5603 1 . GLY 83 83 5603 1 . THR 84 84 5603 1 . CYS 85 85 5603 1 . GLU 86 86 5603 1 . ILE 87 87 5603 1 . CYS 88 88 5603 1 . ALA 89 89 5603 1 . TYR 90 90 5603 1 . ALA 91 91 5603 1 . ALA 92 92 5603 1 . CYS 93 93 5603 1 . THR 94 94 5603 1 . GLY 95 95 5603 1 . CYS 96 96 5603 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 5603 _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 $proguanylin . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . 'gastrointestinal mucosa; found in plasma' . . 'entero-endocrine cells' . . . . . . . . . . . . . 5603 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 5603 _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 $proguanylin . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli AD494 DE3 . . . . . . . . . . . plasmid . . pET32a . . . . . . 5603 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5603 _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 proguanylin '[U-15N; U-13C]' . . 1 $proguanylin . . . 0.8 1.1 mM . . . . 5603 1 2 'phosphate buffer' . . . . . . . 100 . . mM . . . . 5603 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 5603 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.2 n/a 5603 1 temperature 293 1 K 5603 1 'ionic strength' 0.1 . M 5603 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 5603 _Software.ID 1 _Software.Name NMRview _Software.Version 5.0.4 _Software.Details . loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref_1 5603 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5603 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5603 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5603 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 600 . . . 5603 1 2 NMR_spectrometer_2 Bruker AVANCE . 800 . . . 5603 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 5603 _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 HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5603 1 2 '1H-15N NOESY-HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5603 1 3 '1H-15N TOCSY-HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5603 1 4 HNHA . . . . . . . . . . . 1 $sample_1 . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5603 1 5 '15N HMQC-NOESY-HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5603 1 6 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5603 1 7 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5603 1 8 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5603 1 9 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5603 1 10 HBHA(CBCACO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5603 1 11 H(CCO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5603 1 12 C(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5603 1 13 13C-CTHSQC . . . . . . . . . . . 1 $sample_1 . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5603 1 14 13C-NOESY-HSQC . . . . . . . . . . . 1 $sample_1 . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5603 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 5603 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $NMRview _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 5603 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $NMRview _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 5603 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-15N TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $NMRview _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 5603 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNHA _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $NMRview _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 5603 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '15N HMQC-NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $NMRview _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 5603 _NMR_spec_expt.ID 6 _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $NMRview _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 5603 _NMR_spec_expt.ID 7 _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $NMRview _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 5603 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNCACB _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $NMRview _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 5603 _NMR_spec_expt.ID 9 _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $NMRview _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 5603 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HBHA(CBCACO)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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $NMRview _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_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5603 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name H(CCO)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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $NMRview _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_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5603 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name C(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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $NMRview _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_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5603 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name 13C-CTHSQC _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $NMRview _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_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 5603 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name 13C-NOESY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $NMRview _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 5603 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5603 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5603 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5603 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 5603 _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 . 5603 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 3 3 VAL H H 1 8.509 0.02 . 1 . . . . . . . . 5603 1 2 . 1 1 3 3 VAL HA H 1 4.548 0.02 . 1 . . . . . . . . 5603 1 3 . 1 1 3 3 VAL HB H 1 1.957 0.02 . 1 . . . . . . . . 5603 1 4 . 1 1 3 3 VAL HG11 H 1 1.297 0.02 . 2 . . . . . . . . 5603 1 5 . 1 1 3 3 VAL HG12 H 1 1.297 0.02 . 2 . . . . . . . . 5603 1 6 . 1 1 3 3 VAL HG13 H 1 1.297 0.02 . 2 . . . . . . . . 5603 1 7 . 1 1 3 3 VAL HG21 H 1 1.121 0.02 . 2 . . . . . . . . 5603 1 8 . 1 1 3 3 VAL HG22 H 1 1.121 0.02 . 2 . . . . . . . . 5603 1 9 . 1 1 3 3 VAL HG23 H 1 1.121 0.02 . 2 . . . . . . . . 5603 1 10 . 1 1 3 3 VAL C C 13 177.273 0.02 . 1 . . . . . . . . 5603 1 11 . 1 1 3 3 VAL CA C 13 63.022 0.02 . 1 . . . . . . . . 5603 1 12 . 1 1 3 3 VAL CB C 13 32.592 0.02 . 1 . . . . . . . . 5603 1 13 . 1 1 3 3 VAL CG1 C 13 23.015 0.02 . 1 . . . . . . . . 5603 1 14 . 1 1 3 3 VAL CG2 C 13 23.015 0.02 . 1 . . . . . . . . 5603 1 15 . 1 1 3 3 VAL N N 15 124.394 0.2 . 1 . . . . . . . . 5603 1 16 . 1 1 4 4 THR H H 1 9.266 0.02 . 1 . . . . . . . . 5603 1 17 . 1 1 4 4 THR HA H 1 4.808 0.02 . 1 . . . . . . . . 5603 1 18 . 1 1 4 4 THR HB H 1 3.833 0.02 . 1 . . . . . . . . 5603 1 19 . 1 1 4 4 THR HG21 H 1 1.035 0.02 . 1 . . . . . . . . 5603 1 20 . 1 1 4 4 THR HG22 H 1 1.035 0.02 . 1 . . . . . . . . 5603 1 21 . 1 1 4 4 THR HG23 H 1 1.035 0.02 . 1 . . . . . . . . 5603 1 22 . 1 1 4 4 THR C C 13 172.030 0.2 . 1 . . . . . . . . 5603 1 23 . 1 1 4 4 THR CA C 13 60.827 0.2 . 1 . . . . . . . . 5603 1 24 . 1 1 4 4 THR CB C 13 71.365 0.2 . 1 . . . . . . . . 5603 1 25 . 1 1 4 4 THR CG2 C 13 21.719 0.2 . 1 . . . . . . . . 5603 1 26 . 1 1 4 4 THR N N 15 123.428 0.2 . 1 . . . . . . . . 5603 1 27 . 1 1 5 5 VAL H H 1 9.710 0.02 . 1 . . . . . . . . 5603 1 28 . 1 1 5 5 VAL HA H 1 4.724 0.02 . 1 . . . . . . . . 5603 1 29 . 1 1 5 5 VAL HB H 1 2.112 0.02 . 1 . . . . . . . . 5603 1 30 . 1 1 5 5 VAL HG11 H 1 1.052 0.02 . 2 . . . . . . . . 5603 1 31 . 1 1 5 5 VAL HG12 H 1 1.052 0.02 . 2 . . . . . . . . 5603 1 32 . 1 1 5 5 VAL HG13 H 1 1.052 0.02 . 2 . . . . . . . . 5603 1 33 . 1 1 5 5 VAL HG21 H 1 0.896 0.02 . 2 . . . . . . . . 5603 1 34 . 1 1 5 5 VAL HG22 H 1 0.896 0.02 . 2 . . . . . . . . 5603 1 35 . 1 1 5 5 VAL HG23 H 1 0.896 0.02 . 2 . . . . . . . . 5603 1 36 . 1 1 5 5 VAL C C 13 174.804 0.2 . 1 . . . . . . . . 5603 1 37 . 1 1 5 5 VAL CA C 13 60.920 0.2 . 1 . . . . . . . . 5603 1 38 . 1 1 5 5 VAL CB C 13 33.575 0.2 . 1 . . . . . . . . 5603 1 39 . 1 1 5 5 VAL CG1 C 13 21.832 0.2 . 1 . . . . . . . . 5603 1 40 . 1 1 5 5 VAL CG2 C 13 21.832 0.2 . 1 . . . . . . . . 5603 1 41 . 1 1 5 5 VAL N N 15 125.384 0.2 . 1 . . . . . . . . 5603 1 42 . 1 1 6 6 GLN H H 1 9.172 0.02 . 1 . . . . . . . . 5603 1 43 . 1 1 6 6 GLN HA H 1 5.141 0.02 . 1 . . . . . . . . 5603 1 44 . 1 1 6 6 GLN HB2 H 1 2.064 0.02 . 1 . . . . . . . . 5603 1 45 . 1 1 6 6 GLN HB3 H 1 2.064 0.02 . 1 . . . . . . . . 5603 1 46 . 1 1 6 6 GLN HG2 H 1 2.297 0.02 . 1 . . . . . . . . 5603 1 47 . 1 1 6 6 GLN HG3 H 1 2.297 0.02 . 1 . . . . . . . . 5603 1 48 . 1 1 6 6 GLN HE21 H 1 7.395 0.02 . 2 . . . . . . . . 5603 1 49 . 1 1 6 6 GLN HE22 H 1 6.675 0.02 . 2 . . . . . . . . 5603 1 50 . 1 1 6 6 GLN C C 13 176.610 0.2 . 1 . . . . . . . . 5603 1 51 . 1 1 6 6 GLN CA C 13 54.226 0.2 . 1 . . . . . . . . 5603 1 52 . 1 1 6 6 GLN CB C 13 30.458 0.2 . 1 . . . . . . . . 5603 1 53 . 1 1 6 6 GLN CG C 13 34.395 0.2 . 1 . . . . . . . . 5603 1 54 . 1 1 6 6 GLN N N 15 126.838 0.2 . 1 . . . . . . . . 5603 1 55 . 1 1 6 6 GLN NE2 N 15 111.902 0.2 . 1 . . . . . . . . 5603 1 56 . 1 1 7 7 ASP H H 1 8.541 0.02 . 1 . . . . . . . . 5603 1 57 . 1 1 7 7 ASP HA H 1 4.570 0.02 . 1 . . . . . . . . 5603 1 58 . 1 1 7 7 ASP HB2 H 1 2.985 0.02 . 2 . . . . . . . . 5603 1 59 . 1 1 7 7 ASP HB3 H 1 2.265 0.02 . 2 . . . . . . . . 5603 1 60 . 1 1 7 7 ASP C C 13 175.304 0.2 . 1 . . . . . . . . 5603 1 61 . 1 1 7 7 ASP CA C 13 54.890 0.2 . 1 . . . . . . . . 5603 1 62 . 1 1 7 7 ASP CB C 13 44.387 0.2 . 1 . . . . . . . . 5603 1 63 . 1 1 7 7 ASP N N 15 126.111 0.2 . 1 . . . . . . . . 5603 1 64 . 1 1 8 8 GLY H H 1 9.048 0.02 . 1 . . . . . . . . 5603 1 65 . 1 1 8 8 GLY HA2 H 1 4.024 0.02 . 2 . . . . . . . . 5603 1 66 . 1 1 8 8 GLY HA3 H 1 3.626 0.02 . 2 . . . . . . . . 5603 1 67 . 1 1 8 8 GLY C C 13 175.390 0.2 . 1 . . . . . . . . 5603 1 68 . 1 1 8 8 GLY CA C 13 47.224 0.2 . 1 . . . . . . . . 5603 1 69 . 1 1 8 8 GLY N N 15 116.216 0.2 . 1 . . . . . . . . 5603 1 70 . 1 1 9 9 ASN H H 1 8.982 0.02 . 1 . . . . . . . . 5603 1 71 . 1 1 9 9 ASN HA H 1 4.572 0.02 . 1 . . . . . . . . 5603 1 72 . 1 1 9 9 ASN HB2 H 1 2.614 0.02 . 2 . . . . . . . . 5603 1 73 . 1 1 9 9 ASN HB3 H 1 2.190 0.02 . 2 . . . . . . . . 5603 1 74 . 1 1 9 9 ASN HD21 H 1 7.420 0.02 . 2 . . . . . . . . 5603 1 75 . 1 1 9 9 ASN HD22 H 1 6.784 0.02 . 2 . . . . . . . . 5603 1 76 . 1 1 9 9 ASN C C 13 174.656 0.2 . 1 . . . . . . . . 5603 1 77 . 1 1 9 9 ASN CA C 13 53.441 0.2 . 1 . . . . . . . . 5603 1 78 . 1 1 9 9 ASN CB C 13 38.333 0.2 . 1 . . . . . . . . 5603 1 79 . 1 1 9 9 ASN N N 15 125.317 0.2 . 1 . . . . . . . . 5603 1 80 . 1 1 9 9 ASN ND2 N 15 113.147 0.2 . 1 . . . . . . . . 5603 1 81 . 1 1 10 10 PHE H H 1 8.272 0.02 . 1 . . . . . . . . 5603 1 82 . 1 1 10 10 PHE HA H 1 4.451 0.02 . 1 . . . . . . . . 5603 1 83 . 1 1 10 10 PHE HB2 H 1 2.821 0.02 . 2 . . . . . . . . 5603 1 84 . 1 1 10 10 PHE HB3 H 1 2.063 0.02 . 2 . . . . . . . . 5603 1 85 . 1 1 10 10 PHE HD1 H 1 7.394 0.02 . 1 . . . . . . . . 5603 1 86 . 1 1 10 10 PHE HD2 H 1 7.394 0.02 . 1 . . . . . . . . 5603 1 87 . 1 1 10 10 PHE HE1 H 1 7.265 0.02 . 1 . . . . . . . . 5603 1 88 . 1 1 10 10 PHE HE2 H 1 7.265 0.02 . 1 . . . . . . . . 5603 1 89 . 1 1 10 10 PHE HZ H 1 7.145 0.02 . 1 . . . . . . . . 5603 1 90 . 1 1 10 10 PHE C C 13 174.961 0.2 . 1 . . . . . . . . 5603 1 91 . 1 1 10 10 PHE CA C 13 57.524 0.2 . 1 . . . . . . . . 5603 1 92 . 1 1 10 10 PHE CB C 13 41.793 0.2 . 1 . . . . . . . . 5603 1 93 . 1 1 10 10 PHE N N 15 119.734 0.2 . 1 . . . . . . . . 5603 1 94 . 1 1 11 11 SER H H 1 8.101 0.02 . 1 . . . . . . . . 5603 1 95 . 1 1 11 11 SER HA H 1 4.924 0.02 . 1 . . . . . . . . 5603 1 96 . 1 1 11 11 SER HB2 H 1 3.537 0.02 . 1 . . . . . . . . 5603 1 97 . 1 1 11 11 SER HB3 H 1 3.537 0.02 . 1 . . . . . . . . 5603 1 98 . 1 1 11 11 SER C C 13 173.205 0.2 . 1 . . . . . . . . 5603 1 99 . 1 1 11 11 SER CA C 13 56.873 0.2 . 1 . . . . . . . . 5603 1 100 . 1 1 11 11 SER CB C 13 64.531 0.2 . 1 . . . . . . . . 5603 1 101 . 1 1 11 11 SER N N 15 116.369 0.2 . 1 . . . . . . . . 5603 1 102 . 1 1 12 12 PHE H H 1 9.197 0.02 . 1 . . . . . . . . 5603 1 103 . 1 1 12 12 PHE HA H 1 5.281 0.02 . 1 . . . . . . . . 5603 1 104 . 1 1 12 12 PHE HB2 H 1 2.961 0.02 . 2 . . . . . . . . 5603 1 105 . 1 1 12 12 PHE HB3 H 1 2.473 0.02 . 2 . . . . . . . . 5603 1 106 . 1 1 12 12 PHE HD1 H 1 7.064 0.02 . 1 . . . . . . . . 5603 1 107 . 1 1 12 12 PHE HD2 H 1 7.064 0.02 . 1 . . . . . . . . 5603 1 108 . 1 1 12 12 PHE HE1 H 1 7.140 0.02 . 1 . . . . . . . . 5603 1 109 . 1 1 12 12 PHE HE2 H 1 7.140 0.02 . 1 . . . . . . . . 5603 1 110 . 1 1 12 12 PHE HZ H 1 6.529 0.02 . 1 . . . . . . . . 5603 1 111 . 1 1 12 12 PHE C C 13 175.439 0.2 . 1 . . . . . . . . 5603 1 112 . 1 1 12 12 PHE CA C 13 53.905 0.2 . 1 . . . . . . . . 5603 1 113 . 1 1 12 12 PHE CB C 13 43.711 0.2 . 1 . . . . . . . . 5603 1 114 . 1 1 12 12 PHE N N 15 123.859 0.2 . 1 . . . . . . . . 5603 1 115 . 1 1 13 13 SER H H 1 10.020 0.02 . 1 . . . . . . . . 5603 1 116 . 1 1 13 13 SER HA H 1 4.502 0.02 . 1 . . . . . . . . 5603 1 117 . 1 1 13 13 SER HB2 H 1 4.377 0.02 . 1 . . . . . . . . 5603 1 118 . 1 1 13 13 SER HB3 H 1 4.377 0.02 . 1 . . . . . . . . 5603 1 119 . 1 1 13 13 SER C C 13 175.479 0.2 . 1 . . . . . . . . 5603 1 120 . 1 1 13 13 SER CA C 13 59.129 0.2 . 1 . . . . . . . . 5603 1 121 . 1 1 13 13 SER CB C 13 63.333 0.2 . 1 . . . . . . . . 5603 1 122 . 1 1 13 13 SER N N 15 120.506 0.2 . 1 . . . . . . . . 5603 1 123 . 1 1 14 14 LEU H H 1 8.668 0.02 . 1 . . . . . . . . 5603 1 124 . 1 1 14 14 LEU HA H 1 4.085 0.02 . 1 . . . . . . . . 5603 1 125 . 1 1 14 14 LEU HB2 H 1 1.274 0.02 . 1 . . . . . . . . 5603 1 126 . 1 1 14 14 LEU HB3 H 1 1.274 0.02 . 1 . . . . . . . . 5603 1 127 . 1 1 14 14 LEU HG H 1 1.980 0.02 . 1 . . . . . . . . 5603 1 128 . 1 1 14 14 LEU HD11 H 1 0.998 0.02 . 1 . . . . . . . . 5603 1 129 . 1 1 14 14 LEU HD12 H 1 0.998 0.02 . 1 . . . . . . . . 5603 1 130 . 1 1 14 14 LEU HD13 H 1 0.998 0.02 . 1 . . . . . . . . 5603 1 131 . 1 1 14 14 LEU HD21 H 1 0.998 0.02 . 1 . . . . . . . . 5603 1 132 . 1 1 14 14 LEU HD22 H 1 0.998 0.02 . 1 . . . . . . . . 5603 1 133 . 1 1 14 14 LEU HD23 H 1 0.998 0.02 . 1 . . . . . . . . 5603 1 134 . 1 1 14 14 LEU N N 15 124.914 0.2 . 1 . . . . . . . . 5603 1 135 . 1 1 15 15 GLU H H 1 8.562 0.02 . 1 . . . . . . . . 5603 1 136 . 1 1 15 15 GLU HA H 1 3.878 0.02 . 1 . . . . . . . . 5603 1 137 . 1 1 15 15 GLU HB2 H 1 2.060 0.02 . 1 . . . . . . . . 5603 1 138 . 1 1 15 15 GLU HB3 H 1 2.060 0.02 . 1 . . . . . . . . 5603 1 139 . 1 1 15 15 GLU HG2 H 1 2.353 0.02 . 1 . . . . . . . . 5603 1 140 . 1 1 15 15 GLU HG3 H 1 2.353 0.02 . 1 . . . . . . . . 5603 1 141 . 1 1 15 15 GLU C C 13 178.979 0.2 . 1 . . . . . . . . 5603 1 142 . 1 1 15 15 GLU CA C 13 60.205 0.2 . 1 . . . . . . . . 5603 1 143 . 1 1 15 15 GLU CB C 13 29.371 0.2 . 1 . . . . . . . . 5603 1 144 . 1 1 15 15 GLU CG C 13 36.390 0.2 . 1 . . . . . . . . 5603 1 145 . 1 1 15 15 GLU N N 15 116.846 0.2 . 1 . . . . . . . . 5603 1 146 . 1 1 16 16 SER H H 1 7.784 0.02 . 1 . . . . . . . . 5603 1 147 . 1 1 16 16 SER HA H 1 4.128 0.02 . 1 . . . . . . . . 5603 1 148 . 1 1 16 16 SER HB2 H 1 3.815 0.02 . 2 . . . . . . . . 5603 1 149 . 1 1 16 16 SER HB3 H 1 3.507 0.02 . 2 . . . . . . . . 5603 1 150 . 1 1 16 16 SER C C 13 175.111 0.2 . 1 . . . . . . . . 5603 1 151 . 1 1 16 16 SER CA C 13 62.351 0.2 . 1 . . . . . . . . 5603 1 152 . 1 1 16 16 SER CB C 13 62.761 0.2 . 1 . . . . . . . . 5603 1 153 . 1 1 16 16 SER N N 15 114.887 0.2 . 1 . . . . . . . . 5603 1 154 . 1 1 17 17 VAL H H 1 7.590 0.02 . 1 . . . . . . . . 5603 1 155 . 1 1 17 17 VAL HA H 1 3.240 0.02 . 1 . . . . . . . . 5603 1 156 . 1 1 17 17 VAL HB H 1 2.277 0.02 . 1 . . . . . . . . 5603 1 157 . 1 1 17 17 VAL HG11 H 1 0.972 0.02 . 2 . . . . . . . . 5603 1 158 . 1 1 17 17 VAL HG12 H 1 0.972 0.02 . 2 . . . . . . . . 5603 1 159 . 1 1 17 17 VAL HG13 H 1 0.972 0.02 . 2 . . . . . . . . 5603 1 160 . 1 1 17 17 VAL HG21 H 1 0.856 0.02 . 2 . . . . . . . . 5603 1 161 . 1 1 17 17 VAL HG22 H 1 0.856 0.02 . 2 . . . . . . . . 5603 1 162 . 1 1 17 17 VAL HG23 H 1 0.856 0.02 . 2 . . . . . . . . 5603 1 163 . 1 1 17 17 VAL C C 13 177.943 0.2 . 1 . . . . . . . . 5603 1 164 . 1 1 17 17 VAL CA C 13 66.915 0.2 . 1 . . . . . . . . 5603 1 165 . 1 1 17 17 VAL CB C 13 32.061 0.2 . 1 . . . . . . . . 5603 1 166 . 1 1 17 17 VAL CG1 C 13 24.205 0.2 . 2 . . . . . . . . 5603 1 167 . 1 1 17 17 VAL CG2 C 13 22.430 0.2 . 2 . . . . . . . . 5603 1 168 . 1 1 17 17 VAL N N 15 122.284 0.2 . 1 . . . . . . . . 5603 1 169 . 1 1 18 18 LYS H H 1 8.673 0.02 . 1 . . . . . . . . 5603 1 170 . 1 1 18 18 LYS HA H 1 3.718 0.02 . 1 . . . . . . . . 5603 1 171 . 1 1 18 18 LYS HB2 H 1 1.879 0.02 . 1 . . . . . . . . 5603 1 172 . 1 1 18 18 LYS HB3 H 1 1.879 0.02 . 1 . . . . . . . . 5603 1 173 . 1 1 18 18 LYS HG2 H 1 1.376 0.02 . 1 . . . . . . . . 5603 1 174 . 1 1 18 18 LYS HG3 H 1 1.376 0.02 . 1 . . . . . . . . 5603 1 175 . 1 1 18 18 LYS HD2 H 1 1.644 0.02 . 1 . . . . . . . . 5603 1 176 . 1 1 18 18 LYS HD3 H 1 1.644 0.02 . 1 . . . . . . . . 5603 1 177 . 1 1 18 18 LYS C C 13 179.332 0.2 . 1 . . . . . . . . 5603 1 178 . 1 1 18 18 LYS CA C 13 60.679 0.2 . 1 . . . . . . . . 5603 1 179 . 1 1 18 18 LYS CB C 13 32.926 0.2 . 1 . . . . . . . . 5603 1 180 . 1 1 18 18 LYS CD C 13 30.110 0.2 . 1 . . . . . . . . 5603 1 181 . 1 1 18 18 LYS CE C 13 41.706 0.2 . 1 . . . . . . . . 5603 1 182 . 1 1 18 18 LYS N N 15 115.671 0.2 . 1 . . . . . . . . 5603 1 183 . 1 1 19 19 LYS H H 1 7.189 0.02 . 1 . . . . . . . . 5603 1 184 . 1 1 19 19 LYS HA H 1 4.110 0.02 . 1 . . . . . . . . 5603 1 185 . 1 1 19 19 LYS HB2 H 1 1.963 0.02 . 1 . . . . . . . . 5603 1 186 . 1 1 19 19 LYS HB3 H 1 1.963 0.02 . 1 . . . . . . . . 5603 1 187 . 1 1 19 19 LYS HG2 H 1 1.592 0.02 . 1 . . . . . . . . 5603 1 188 . 1 1 19 19 LYS HG3 H 1 1.592 0.02 . 1 . . . . . . . . 5603 1 189 . 1 1 19 19 LYS HD2 H 1 1.769 0.02 . 1 . . . . . . . . 5603 1 190 . 1 1 19 19 LYS HD3 H 1 1.769 0.02 . 1 . . . . . . . . 5603 1 191 . 1 1 19 19 LYS HE2 H 1 2.969 0.02 . 1 . . . . . . . . 5603 1 192 . 1 1 19 19 LYS HE3 H 1 2.969 0.02 . 1 . . . . . . . . 5603 1 193 . 1 1 19 19 LYS C C 13 177.964 0.2 . 1 . . . . . . . . 5603 1 194 . 1 1 19 19 LYS CA C 13 57.944 0.2 . 1 . . . . . . . . 5603 1 195 . 1 1 19 19 LYS CB C 13 32.006 0.2 . 1 . . . . . . . . 5603 1 196 . 1 1 19 19 LYS CG C 13 25.487 0.2 . 1 . . . . . . . . 5603 1 197 . 1 1 19 19 LYS CD C 13 29.204 0.2 . 1 . . . . . . . . 5603 1 198 . 1 1 19 19 LYS CE C 13 42.673 0.2 . 1 . . . . . . . . 5603 1 199 . 1 1 19 19 LYS N N 15 117.198 0.2 . 1 . . . . . . . . 5603 1 200 . 1 1 20 20 LEU H H 1 7.793 0.02 . 1 . . . . . . . . 5603 1 201 . 1 1 20 20 LEU HA H 1 3.816 0.02 . 1 . . . . . . . . 5603 1 202 . 1 1 20 20 LEU HB2 H 1 1.722 0.02 . 2 . . . . . . . . 5603 1 203 . 1 1 20 20 LEU HB3 H 1 1.294 0.02 . 2 . . . . . . . . 5603 1 204 . 1 1 20 20 LEU HG H 1 1.649 0.02 . 1 . . . . . . . . 5603 1 205 . 1 1 20 20 LEU HD11 H 1 0.677 0.02 . 2 . . . . . . . . 5603 1 206 . 1 1 20 20 LEU HD12 H 1 0.677 0.02 . 2 . . . . . . . . 5603 1 207 . 1 1 20 20 LEU HD13 H 1 0.677 0.02 . 2 . . . . . . . . 5603 1 208 . 1 1 20 20 LEU HD21 H 1 0.527 0.02 . 2 . . . . . . . . 5603 1 209 . 1 1 20 20 LEU HD22 H 1 0.527 0.02 . 2 . . . . . . . . 5603 1 210 . 1 1 20 20 LEU HD23 H 1 0.527 0.02 . 2 . . . . . . . . 5603 1 211 . 1 1 20 20 LEU N N 15 115.732 0.2 . 1 . . . . . . . . 5603 1 212 . 1 1 21 21 LYS H H 1 7.244 0.02 . 1 . . . . . . . . 5603 1 213 . 1 1 21 21 LYS HA H 1 4.057 0.02 . 1 . . . . . . . . 5603 1 214 . 1 1 21 21 LYS HB2 H 1 1.816 0.02 . 2 . . . . . . . . 5603 1 215 . 1 1 21 21 LYS HB3 H 1 1.693 0.02 . 2 . . . . . . . . 5603 1 216 . 1 1 21 21 LYS HG2 H 1 1.590 0.02 . 1 . . . . . . . . 5603 1 217 . 1 1 21 21 LYS HG3 H 1 1.590 0.02 . 1 . . . . . . . . 5603 1 218 . 1 1 21 21 LYS HD2 H 1 1.794 0.02 . 1 . . . . . . . . 5603 1 219 . 1 1 21 21 LYS HD3 H 1 1.794 0.02 . 1 . . . . . . . . 5603 1 220 . 1 1 21 21 LYS C C 13 177.494 0.2 . 1 . . . . . . . . 5603 1 221 . 1 1 21 21 LYS CA C 13 58.959 0.2 . 1 . . . . . . . . 5603 1 222 . 1 1 21 21 LYS CB C 13 32.465 0.2 . 1 . . . . . . . . 5603 1 223 . 1 1 21 21 LYS CD C 13 29.090 0.2 . 1 . . . . . . . . 5603 1 224 . 1 1 21 21 LYS CE C 13 42.220 0.2 . 1 . . . . . . . . 5603 1 225 . 1 1 21 21 LYS N N 15 118.165 0.2 . 1 . . . . . . . . 5603 1 226 . 1 1 22 22 ASP H H 1 7.688 0.02 . 1 . . . . . . . . 5603 1 227 . 1 1 22 22 ASP HA H 1 4.578 0.02 . 1 . . . . . . . . 5603 1 228 . 1 1 22 22 ASP HB2 H 1 2.847 0.02 . 2 . . . . . . . . 5603 1 229 . 1 1 22 22 ASP HB3 H 1 2.658 0.02 . 2 . . . . . . . . 5603 1 230 . 1 1 22 22 ASP C C 13 176.442 0.2 . 1 . . . . . . . . 5603 1 231 . 1 1 22 22 ASP CA C 13 55.488 0.2 . 1 . . . . . . . . 5603 1 232 . 1 1 22 22 ASP CB C 13 40.497 0.2 . 1 . . . . . . . . 5603 1 233 . 1 1 22 22 ASP N N 15 116.773 0.2 . 1 . . . . . . . . 5603 1 234 . 1 1 23 23 LEU H H 1 7.245 0.02 . 1 . . . . . . . . 5603 1 235 . 1 1 23 23 LEU HA H 1 4.327 0.02 . 1 . . . . . . . . 5603 1 236 . 1 1 23 23 LEU HB2 H 1 1.456 0.02 . 1 . . . . . . . . 5603 1 237 . 1 1 23 23 LEU HB3 H 1 1.456 0.02 . 1 . . . . . . . . 5603 1 238 . 1 1 23 23 LEU HG H 1 1.765 0.02 . 1 . . . . . . . . 5603 1 239 . 1 1 23 23 LEU HD11 H 1 0.898 0.02 . 2 . . . . . . . . 5603 1 240 . 1 1 23 23 LEU HD12 H 1 0.898 0.02 . 2 . . . . . . . . 5603 1 241 . 1 1 23 23 LEU HD13 H 1 0.898 0.02 . 2 . . . . . . . . 5603 1 242 . 1 1 23 23 LEU HD21 H 1 0.779 0.02 . 2 . . . . . . . . 5603 1 243 . 1 1 23 23 LEU HD22 H 1 0.779 0.02 . 2 . . . . . . . . 5603 1 244 . 1 1 23 23 LEU HD23 H 1 0.779 0.02 . 2 . . . . . . . . 5603 1 245 . 1 1 23 23 LEU N N 15 118.180 0.2 . 1 . . . . . . . . 5603 1 246 . 1 1 24 24 GLN H H 1 7.757 0.02 . 1 . . . . . . . . 5603 1 247 . 1 1 24 24 GLN HA H 1 4.329 0.02 . 1 . . . . . . . . 5603 1 248 . 1 1 24 24 GLN HB2 H 1 2.088 0.02 . 2 . . . . . . . . 5603 1 249 . 1 1 24 24 GLN HB3 H 1 1.974 0.02 . 2 . . . . . . . . 5603 1 250 . 1 1 24 24 GLN HG2 H 1 2.392 0.02 . 1 . . . . . . . . 5603 1 251 . 1 1 24 24 GLN HG3 H 1 2.392 0.02 . 1 . . . . . . . . 5603 1 252 . 1 1 24 24 GLN HE21 H 1 7.508 0.02 . 2 . . . . . . . . 5603 1 253 . 1 1 24 24 GLN HE22 H 1 6.934 0.02 . 2 . . . . . . . . 5603 1 254 . 1 1 24 24 GLN C C 13 175.570 0.2 . 1 . . . . . . . . 5603 1 255 . 1 1 24 24 GLN CA C 13 55.417 0.2 . 1 . . . . . . . . 5603 1 256 . 1 1 24 24 GLN N N 15 118.498 0.2 . 1 . . . . . . . . 5603 1 257 . 1 1 24 24 GLN NE2 N 15 112.196 0.2 . 1 . . . . . . . . 5603 1 258 . 1 1 25 25 GLU H H 1 8.599 0.02 . 1 . . . . . . . . 5603 1 259 . 1 1 25 25 GLU HA H 1 4.542 0.02 . 1 . . . . . . . . 5603 1 260 . 1 1 25 25 GLU HB2 H 1 2.075 0.02 . 2 . . . . . . . . 5603 1 261 . 1 1 25 25 GLU HB3 H 1 1.911 0.02 . 2 . . . . . . . . 5603 1 262 . 1 1 25 25 GLU HG2 H 1 2.323 0.02 . 1 . . . . . . . . 5603 1 263 . 1 1 25 25 GLU HG3 H 1 2.323 0.02 . 1 . . . . . . . . 5603 1 264 . 1 1 25 25 GLU CA C 13 54.571 0.2 . 1 . . . . . . . . 5603 1 265 . 1 1 25 25 GLU N N 15 124.005 0.2 . 1 . . . . . . . . 5603 1 266 . 1 1 26 26 PRO HA H 1 4.421 0.02 . 1 . . . . . . . . 5603 1 267 . 1 1 26 26 PRO HB2 H 1 2.302 0.02 . 2 . . . . . . . . 5603 1 268 . 1 1 26 26 PRO HB3 H 1 1.916 0.02 . 2 . . . . . . . . 5603 1 269 . 1 1 26 26 PRO HG2 H 1 2.024 0.02 . 1 . . . . . . . . 5603 1 270 . 1 1 26 26 PRO HG3 H 1 2.024 0.02 . 1 . . . . . . . . 5603 1 271 . 1 1 26 26 PRO HD2 H 1 3.805 0.02 . 2 . . . . . . . . 5603 1 272 . 1 1 26 26 PRO HD3 H 1 3.688 0.02 . 2 . . . . . . . . 5603 1 273 . 1 1 26 26 PRO C C 13 176.861 0.2 . 1 . . . . . . . . 5603 1 274 . 1 1 26 26 PRO CA C 13 63.427 0.2 . 1 . . . . . . . . 5603 1 275 . 1 1 26 26 PRO CB C 13 32.208 0.2 . 1 . . . . . . . . 5603 1 276 . 1 1 26 26 PRO CG C 13 27.501 0.2 . 1 . . . . . . . . 5603 1 277 . 1 1 26 26 PRO CD C 13 50.773 0.2 . 1 . . . . . . . . 5603 1 278 . 1 1 27 27 GLN H H 1 8.564 0.02 . 1 . . . . . . . . 5603 1 279 . 1 1 27 27 GLN HA H 1 4.331 0.02 . 1 . . . . . . . . 5603 1 280 . 1 1 27 27 GLN HB2 H 1 2.123 0.02 . 2 . . . . . . . . 5603 1 281 . 1 1 27 27 GLN HB3 H 1 1.966 0.02 . 2 . . . . . . . . 5603 1 282 . 1 1 27 27 GLN HG2 H 1 2.368 0.02 . 1 . . . . . . . . 5603 1 283 . 1 1 27 27 GLN HG3 H 1 2.368 0.02 . 1 . . . . . . . . 5603 1 284 . 1 1 27 27 GLN HE21 H 1 7.608 0.02 . 2 . . . . . . . . 5603 1 285 . 1 1 27 27 GLN HE22 H 1 6.917 0.02 . 2 . . . . . . . . 5603 1 286 . 1 1 27 27 GLN CA C 13 55.567 0.2 . 1 . . . . . . . . 5603 1 287 . 1 1 27 27 GLN N N 15 120.130 0.2 . 1 . . . . . . . . 5603 1 288 . 1 1 27 27 GLN NE2 N 15 113.071 0.2 . 1 . . . . . . . . 5603 1 289 . 1 1 28 28 GLU H H 1 8.313 0.02 . 1 . . . . . . . . 5603 1 290 . 1 1 28 28 GLU HA H 1 4.581 0.02 . 1 . . . . . . . . 5603 1 291 . 1 1 28 28 GLU HB2 H 1 2.031 0.02 . 2 . . . . . . . . 5603 1 292 . 1 1 28 28 GLU HB3 H 1 1.932 0.02 . 2 . . . . . . . . 5603 1 293 . 1 1 28 28 GLU HG2 H 1 2.297 0.02 . 1 . . . . . . . . 5603 1 294 . 1 1 28 28 GLU HG3 H 1 2.297 0.02 . 1 . . . . . . . . 5603 1 295 . 1 1 28 28 GLU N N 15 122.968 0.2 . 1 . . . . . . . . 5603 1 296 . 1 1 29 29 PRO HA H 1 4.394 0.02 . 1 . . . . . . . . 5603 1 297 . 1 1 29 29 PRO HB2 H 1 2.294 0.02 . 2 . . . . . . . . 5603 1 298 . 1 1 29 29 PRO HB3 H 1 2.044 0.02 . 2 . . . . . . . . 5603 1 299 . 1 1 29 29 PRO C C 13 176.941 0.2 . 1 . . . . . . . . 5603 1 300 . 1 1 30 30 ARG H H 1 8.532 0.02 . 1 . . . . . . . . 5603 1 301 . 1 1 30 30 ARG HA H 1 4.336 0.02 . 1 . . . . . . . . 5603 1 302 . 1 1 30 30 ARG HB2 H 1 1.817 0.02 . 1 . . . . . . . . 5603 1 303 . 1 1 30 30 ARG HB3 H 1 1.817 0.02 . 1 . . . . . . . . 5603 1 304 . 1 1 30 30 ARG HG2 H 1 1.672 0.02 . 1 . . . . . . . . 5603 1 305 . 1 1 30 30 ARG HG3 H 1 1.672 0.02 . 1 . . . . . . . . 5603 1 306 . 1 1 30 30 ARG HD2 H 1 3.202 0.02 . 1 . . . . . . . . 5603 1 307 . 1 1 30 30 ARG HD3 H 1 3.202 0.02 . 1 . . . . . . . . 5603 1 308 . 1 1 30 30 ARG HE H 1 7.350 0.02 . 1 . . . . . . . . 5603 1 309 . 1 1 30 30 ARG C C 13 176.398 0.2 . 1 . . . . . . . . 5603 1 310 . 1 1 30 30 ARG CA C 13 56.328 0.2 . 1 . . . . . . . . 5603 1 311 . 1 1 30 30 ARG N N 15 121.047 0.2 . 1 . . . . . . . . 5603 1 312 . 1 1 30 30 ARG NE N 15 84.736 0.2 . 1 . . . . . . . . 5603 1 313 . 1 1 31 31 VAL H H 1 8.096 0.02 . 1 . . . . . . . . 5603 1 314 . 1 1 31 31 VAL HA H 1 4.130 0.02 . 1 . . . . . . . . 5603 1 315 . 1 1 31 31 VAL HB H 1 2.096 0.02 . 1 . . . . . . . . 5603 1 316 . 1 1 31 31 VAL HG11 H 1 0.949 0.02 . 1 . . . . . . . . 5603 1 317 . 1 1 31 31 VAL HG12 H 1 0.949 0.02 . 1 . . . . . . . . 5603 1 318 . 1 1 31 31 VAL HG13 H 1 0.949 0.02 . 1 . . . . . . . . 5603 1 319 . 1 1 31 31 VAL HG21 H 1 0.949 0.02 . 1 . . . . . . . . 5603 1 320 . 1 1 31 31 VAL HG22 H 1 0.949 0.02 . 1 . . . . . . . . 5603 1 321 . 1 1 31 31 VAL HG23 H 1 0.949 0.02 . 1 . . . . . . . . 5603 1 322 . 1 1 31 31 VAL C C 13 176.576 0.2 . 1 . . . . . . . . 5603 1 323 . 1 1 31 31 VAL CA C 13 62.466 0.2 . 1 . . . . . . . . 5603 1 324 . 1 1 31 31 VAL CB C 13 32.873 0.2 . 1 . . . . . . . . 5603 1 325 . 1 1 31 31 VAL CG1 C 13 20.749 0.2 . 1 . . . . . . . . 5603 1 326 . 1 1 31 31 VAL CG2 C 13 20.749 0.2 . 1 . . . . . . . . 5603 1 327 . 1 1 31 31 VAL N N 15 120.112 0.2 . 1 . . . . . . . . 5603 1 328 . 1 1 32 32 GLY H H 1 8.508 0.02 . 1 . . . . . . . . 5603 1 329 . 1 1 32 32 GLY HA2 H 1 3.949 0.02 . 1 . . . . . . . . 5603 1 330 . 1 1 32 32 GLY HA3 H 1 3.949 0.02 . 1 . . . . . . . . 5603 1 331 . 1 1 32 32 GLY C C 13 173.990 0.2 . 1 . . . . . . . . 5603 1 332 . 1 1 32 32 GLY CA C 13 45.050 0.2 . 1 . . . . . . . . 5603 1 333 . 1 1 32 32 GLY N N 15 112.276 0.2 . 1 . . . . . . . . 5603 1 334 . 1 1 33 33 LYS H H 1 8.218 0.02 . 1 . . . . . . . . 5603 1 335 . 1 1 33 33 LYS HA H 1 4.313 0.02 . 1 . . . . . . . . 5603 1 336 . 1 1 33 33 LYS HB2 H 1 1.763 0.02 . 1 . . . . . . . . 5603 1 337 . 1 1 33 33 LYS HB3 H 1 1.763 0.02 . 1 . . . . . . . . 5603 1 338 . 1 1 33 33 LYS HG2 H 1 1.403 0.02 . 1 . . . . . . . . 5603 1 339 . 1 1 33 33 LYS HG3 H 1 1.403 0.02 . 1 . . . . . . . . 5603 1 340 . 1 1 33 33 LYS HD2 H 1 1.763 0.02 . 1 . . . . . . . . 5603 1 341 . 1 1 33 33 LYS HD3 H 1 1.763 0.02 . 1 . . . . . . . . 5603 1 342 . 1 1 33 33 LYS C C 13 176.679 0.2 . 1 . . . . . . . . 5603 1 343 . 1 1 33 33 LYS CA C 13 56.409 0.2 . 1 . . . . . . . . 5603 1 344 . 1 1 33 33 LYS N N 15 120.803 0.2 . 1 . . . . . . . . 5603 1 345 . 1 1 34 34 LEU H H 1 8.285 0.02 . 1 . . . . . . . . 5603 1 346 . 1 1 34 34 LEU HA H 1 4.311 0.02 . 1 . . . . . . . . 5603 1 347 . 1 1 34 34 LEU HB2 H 1 1.667 0.02 . 1 . . . . . . . . 5603 1 348 . 1 1 34 34 LEU HB3 H 1 1.667 0.02 . 1 . . . . . . . . 5603 1 349 . 1 1 34 34 LEU HG H 1 1.613 0.02 . 1 . . . . . . . . 5603 1 350 . 1 1 34 34 LEU HD11 H 1 0.930 0.02 . 2 . . . . . . . . 5603 1 351 . 1 1 34 34 LEU HD12 H 1 0.930 0.02 . 2 . . . . . . . . 5603 1 352 . 1 1 34 34 LEU HD13 H 1 0.930 0.02 . 2 . . . . . . . . 5603 1 353 . 1 1 34 34 LEU HD21 H 1 0.861 0.02 . 2 . . . . . . . . 5603 1 354 . 1 1 34 34 LEU HD22 H 1 0.861 0.02 . 2 . . . . . . . . 5603 1 355 . 1 1 34 34 LEU HD23 H 1 0.861 0.02 . 2 . . . . . . . . 5603 1 356 . 1 1 34 34 LEU N N 15 122.732 0.2 . 1 . . . . . . . . 5603 1 357 . 1 1 35 35 ARG H H 1 8.311 0.02 . 1 . . . . . . . . 5603 1 358 . 1 1 35 35 ARG HA H 1 4.246 0.02 . 1 . . . . . . . . 5603 1 359 . 1 1 35 35 ARG HB2 H 1 1.711 0.02 . 1 . . . . . . . . 5603 1 360 . 1 1 35 35 ARG HB3 H 1 1.711 0.02 . 1 . . . . . . . . 5603 1 361 . 1 1 35 35 ARG HG2 H 1 1.586 0.02 . 1 . . . . . . . . 5603 1 362 . 1 1 35 35 ARG HG3 H 1 1.586 0.02 . 1 . . . . . . . . 5603 1 363 . 1 1 35 35 ARG HD2 H 1 3.165 0.02 . 1 . . . . . . . . 5603 1 364 . 1 1 35 35 ARG HD3 H 1 3.165 0.02 . 1 . . . . . . . . 5603 1 365 . 1 1 35 35 ARG HE H 1 7.299 0.02 . 1 . . . . . . . . 5603 1 366 . 1 1 35 35 ARG C C 13 175.566 0.2 . 1 . . . . . . . . 5603 1 367 . 1 1 35 35 ARG CA C 13 56.125 0.2 . 1 . . . . . . . . 5603 1 368 . 1 1 35 35 ARG CD C 13 43.261 0.2 . 1 . . . . . . . . 5603 1 369 . 1 1 35 35 ARG N N 15 121.418 0.2 . 1 . . . . . . . . 5603 1 370 . 1 1 35 35 ARG NE N 15 84.610 0.2 . 1 . . . . . . . . 5603 1 371 . 1 1 36 36 ASN H H 1 8.361 0.02 . 1 . . . . . . . . 5603 1 372 . 1 1 36 36 ASN HA H 1 4.664 0.02 . 1 . . . . . . . . 5603 1 373 . 1 1 36 36 ASN HB2 H 1 2.693 0.02 . 1 . . . . . . . . 5603 1 374 . 1 1 36 36 ASN HB3 H 1 2.693 0.02 . 1 . . . . . . . . 5603 1 375 . 1 1 36 36 ASN HD21 H 1 7.601 0.02 . 2 . . . . . . . . 5603 1 376 . 1 1 36 36 ASN HD22 H 1 6.906 0.02 . 2 . . . . . . . . 5603 1 377 . 1 1 36 36 ASN C C 13 174.526 0.2 . 1 . . . . . . . . 5603 1 378 . 1 1 36 36 ASN CA C 13 53.056 0.2 . 1 . . . . . . . . 5603 1 379 . 1 1 36 36 ASN CB C 13 38.810 0.2 . 1 . . . . . . . . 5603 1 380 . 1 1 36 36 ASN N N 15 119.472 0.2 . 1 . . . . . . . . 5603 1 381 . 1 1 36 36 ASN ND2 N 15 112.671 0.2 . 1 . . . . . . . . 5603 1 382 . 1 1 37 37 PHE H H 1 8.217 0.02 . 1 . . . . . . . . 5603 1 383 . 1 1 37 37 PHE HA H 1 4.604 0.02 . 1 . . . . . . . . 5603 1 384 . 1 1 37 37 PHE HB2 H 1 3.143 0.02 . 2 . . . . . . . . 5603 1 385 . 1 1 37 37 PHE HB3 H 1 2.994 0.02 . 2 . . . . . . . . 5603 1 386 . 1 1 37 37 PHE HD1 H 1 7.242 0.02 . 1 . . . . . . . . 5603 1 387 . 1 1 37 37 PHE HD2 H 1 7.242 0.02 . 1 . . . . . . . . 5603 1 388 . 1 1 37 37 PHE HE1 H 1 6.905 0.02 . 1 . . . . . . . . 5603 1 389 . 1 1 37 37 PHE HE2 H 1 6.905 0.02 . 1 . . . . . . . . 5603 1 390 . 1 1 37 37 PHE C C 13 174.649 0.2 . 1 . . . . . . . . 5603 1 391 . 1 1 37 37 PHE CA C 13 57.525 0.2 . 1 . . . . . . . . 5603 1 392 . 1 1 37 37 PHE CB C 13 39.940 0.2 . 1 . . . . . . . . 5603 1 393 . 1 1 37 37 PHE N N 15 120.642 0.2 . 1 . . . . . . . . 5603 1 394 . 1 1 38 38 ALA H H 1 8.159 0.02 . 1 . . . . . . . . 5603 1 395 . 1 1 38 38 ALA HA H 1 4.606 0.02 . 1 . . . . . . . . 5603 1 396 . 1 1 38 38 ALA HB1 H 1 1.323 0.02 . 1 . . . . . . . . 5603 1 397 . 1 1 38 38 ALA HB2 H 1 1.323 0.02 . 1 . . . . . . . . 5603 1 398 . 1 1 38 38 ALA HB3 H 1 1.323 0.02 . 1 . . . . . . . . 5603 1 399 . 1 1 38 38 ALA CA C 13 50.069 0.2 . 1 . . . . . . . . 5603 1 400 . 1 1 38 38 ALA N N 15 126.965 0.2 . 1 . . . . . . . . 5603 1 401 . 1 1 39 39 PRO HA H 1 4.388 0.02 . 1 . . . . . . . . 5603 1 402 . 1 1 39 39 PRO HB2 H 1 2.244 0.02 . 2 . . . . . . . . 5603 1 403 . 1 1 39 39 PRO HB3 H 1 1.857 0.02 . 2 . . . . . . . . 5603 1 404 . 1 1 39 39 PRO HD2 H 1 3.661 0.02 . 2 . . . . . . . . 5603 1 405 . 1 1 39 39 PRO HD3 H 1 3.635 0.02 . 2 . . . . . . . . 5603 1 406 . 1 1 39 39 PRO C C 13 176.664 0.2 . 1 . . . . . . . . 5603 1 407 . 1 1 39 39 PRO CA C 13 62.693 0.2 . 1 . . . . . . . . 5603 1 408 . 1 1 39 39 PRO CB C 13 31.961 0.2 . 1 . . . . . . . . 5603 1 409 . 1 1 40 40 ILE H H 1 8.415 0.02 . 1 . . . . . . . . 5603 1 410 . 1 1 40 40 ILE HA H 1 4.419 0.02 . 1 . . . . . . . . 5603 1 411 . 1 1 40 40 ILE HB H 1 1.860 0.02 . 1 . . . . . . . . 5603 1 412 . 1 1 40 40 ILE HG12 H 1 1.560 0.02 . 2 . . . . . . . . 5603 1 413 . 1 1 40 40 ILE HG13 H 1 1.207 0.02 . 2 . . . . . . . . 5603 1 414 . 1 1 40 40 ILE HG21 H 1 0.950 0.02 . 1 . . . . . . . . 5603 1 415 . 1 1 40 40 ILE HG22 H 1 0.950 0.02 . 1 . . . . . . . . 5603 1 416 . 1 1 40 40 ILE HG23 H 1 0.950 0.02 . 1 . . . . . . . . 5603 1 417 . 1 1 40 40 ILE HD11 H 1 0.872 0.02 . 1 . . . . . . . . 5603 1 418 . 1 1 40 40 ILE HD12 H 1 0.872 0.02 . 1 . . . . . . . . 5603 1 419 . 1 1 40 40 ILE HD13 H 1 0.872 0.02 . 1 . . . . . . . . 5603 1 420 . 1 1 40 40 ILE CA C 13 58.668 0.2 . 1 . . . . . . . . 5603 1 421 . 1 1 40 40 ILE N N 15 123.402 0.2 . 1 . . . . . . . . 5603 1 422 . 1 1 41 41 PRO HA H 1 4.357 0.02 . 1 . . . . . . . . 5603 1 423 . 1 1 41 41 PRO HB2 H 1 2.311 0.02 . 2 . . . . . . . . 5603 1 424 . 1 1 41 41 PRO HB3 H 1 1.953 0.02 . 2 . . . . . . . . 5603 1 425 . 1 1 41 41 PRO C C 13 177.527 0.2 . 1 . . . . . . . . 5603 1 426 . 1 1 42 42 GLY H H 1 8.657 0.02 . 1 . . . . . . . . 5603 1 427 . 1 1 42 42 GLY HA2 H 1 4.157 0.02 . 2 . . . . . . . . 5603 1 428 . 1 1 42 42 GLY HA3 H 1 3.792 0.02 . 2 . . . . . . . . 5603 1 429 . 1 1 42 42 GLY C C 13 174.167 0.2 . 1 . . . . . . . . 5603 1 430 . 1 1 42 42 GLY CA C 13 45.050 0.2 . 1 . . . . . . . . 5603 1 431 . 1 1 42 42 GLY N N 15 110.999 0.2 . 1 . . . . . . . . 5603 1 432 . 1 1 43 43 GLU H H 1 7.905 0.02 . 1 . . . . . . . . 5603 1 433 . 1 1 43 43 GLU HA H 1 4.674 0.02 . 1 . . . . . . . . 5603 1 434 . 1 1 43 43 GLU HB2 H 1 2.068 0.02 . 2 . . . . . . . . 5603 1 435 . 1 1 43 43 GLU HB3 H 1 1.958 0.02 . 2 . . . . . . . . 5603 1 436 . 1 1 43 43 GLU HG2 H 1 2.275 0.02 . 1 . . . . . . . . 5603 1 437 . 1 1 43 43 GLU HG3 H 1 2.275 0.02 . 1 . . . . . . . . 5603 1 438 . 1 1 43 43 GLU CA C 13 54.193 0.2 . 1 . . . . . . . . 5603 1 439 . 1 1 43 43 GLU N N 15 121.358 0.2 . 1 . . . . . . . . 5603 1 440 . 1 1 44 44 PRO HA H 1 4.473 0.02 . 1 . . . . . . . . 5603 1 441 . 1 1 44 44 PRO HB2 H 1 2.302 0.02 . 2 . . . . . . . . 5603 1 442 . 1 1 44 44 PRO HB3 H 1 1.924 0.02 . 2 . . . . . . . . 5603 1 443 . 1 1 44 44 PRO HG2 H 1 2.025 0.02 . 1 . . . . . . . . 5603 1 444 . 1 1 44 44 PRO HG3 H 1 2.025 0.02 . 1 . . . . . . . . 5603 1 445 . 1 1 44 44 PRO HD2 H 1 3.675 0.02 . 1 . . . . . . . . 5603 1 446 . 1 1 44 44 PRO HD3 H 1 3.675 0.02 . 1 . . . . . . . . 5603 1 447 . 1 1 44 44 PRO C C 13 176.599 0.2 . 1 . . . . . . . . 5603 1 448 . 1 1 44 44 PRO CA C 13 62.908 0.2 . 1 . . . . . . . . 5603 1 449 . 1 1 44 44 PRO CB C 13 31.975 0.2 . 1 . . . . . . . . 5603 1 450 . 1 1 44 44 PRO CG C 13 27.559 0.2 . 1 . . . . . . . . 5603 1 451 . 1 1 44 44 PRO CD C 13 50.555 0.2 . 1 . . . . . . . . 5603 1 452 . 1 1 45 45 VAL H H 1 8.366 0.02 . 1 . . . . . . . . 5603 1 453 . 1 1 45 45 VAL HA H 1 4.108 0.02 . 1 . . . . . . . . 5603 1 454 . 1 1 45 45 VAL HB H 1 2.049 0.02 . 1 . . . . . . . . 5603 1 455 . 1 1 45 45 VAL HG11 H 1 0.981 0.02 . 1 . . . . . . . . 5603 1 456 . 1 1 45 45 VAL HG12 H 1 0.981 0.02 . 1 . . . . . . . . 5603 1 457 . 1 1 45 45 VAL HG13 H 1 0.981 0.02 . 1 . . . . . . . . 5603 1 458 . 1 1 45 45 VAL HG21 H 1 0.981 0.02 . 1 . . . . . . . . 5603 1 459 . 1 1 45 45 VAL HG22 H 1 0.981 0.02 . 1 . . . . . . . . 5603 1 460 . 1 1 45 45 VAL HG23 H 1 0.981 0.02 . 1 . . . . . . . . 5603 1 461 . 1 1 45 45 VAL C C 13 176.260 0.2 . 1 . . . . . . . . 5603 1 462 . 1 1 45 45 VAL CA C 13 62.542 0.2 . 1 . . . . . . . . 5603 1 463 . 1 1 45 45 VAL CB C 13 32.671 0.2 . 1 . . . . . . . . 5603 1 464 . 1 1 45 45 VAL CG1 C 13 21.050 0.2 . 1 . . . . . . . . 5603 1 465 . 1 1 45 45 VAL CG2 C 13 21.050 0.2 . 1 . . . . . . . . 5603 1 466 . 1 1 45 45 VAL N N 15 121.500 0.2 . 1 . . . . . . . . 5603 1 467 . 1 1 46 46 VAL H H 1 8.198 0.02 . 1 . . . . . . . . 5603 1 468 . 1 1 46 46 VAL HA H 1 4.352 0.02 . 1 . . . . . . . . 5603 1 469 . 1 1 46 46 VAL HB H 1 1.961 0.02 . 1 . . . . . . . . 5603 1 470 . 1 1 46 46 VAL HG11 H 1 0.941 0.02 . 1 . . . . . . . . 5603 1 471 . 1 1 46 46 VAL HG12 H 1 0.941 0.02 . 1 . . . . . . . . 5603 1 472 . 1 1 46 46 VAL HG13 H 1 0.941 0.02 . 1 . . . . . . . . 5603 1 473 . 1 1 46 46 VAL HG21 H 1 0.941 0.02 . 1 . . . . . . . . 5603 1 474 . 1 1 46 46 VAL HG22 H 1 0.941 0.02 . 1 . . . . . . . . 5603 1 475 . 1 1 46 46 VAL HG23 H 1 0.941 0.02 . 1 . . . . . . . . 5603 1 476 . 1 1 46 46 VAL CA C 13 60.320 0.2 . 1 . . . . . . . . 5603 1 477 . 1 1 46 46 VAL N N 15 125.948 0.2 . 1 . . . . . . . . 5603 1 478 . 1 1 47 47 PRO HA H 1 4.406 0.02 . 1 . . . . . . . . 5603 1 479 . 1 1 47 47 PRO HB2 H 1 2.281 0.02 . 2 . . . . . . . . 5603 1 480 . 1 1 47 47 PRO HB3 H 1 1.887 0.02 . 2 . . . . . . . . 5603 1 481 . 1 1 47 47 PRO C C 13 176.861 0.2 . 1 . . . . . . . . 5603 1 482 . 1 1 47 47 PRO CA C 13 63.123 0.2 . 1 . . . . . . . . 5603 1 483 . 1 1 47 47 PRO CB C 13 31.999 0.2 . 1 . . . . . . . . 5603 1 484 . 1 1 48 48 ILE H H 1 8.568 0.02 . 1 . . . . . . . . 5603 1 485 . 1 1 48 48 ILE HA H 1 4.055 0.02 . 1 . . . . . . . . 5603 1 486 . 1 1 48 48 ILE HB H 1 1.867 0.02 . 1 . . . . . . . . 5603 1 487 . 1 1 48 48 ILE HG12 H 1 1.605 0.02 . 2 . . . . . . . . 5603 1 488 . 1 1 48 48 ILE HG13 H 1 1.498 0.02 . 2 . . . . . . . . 5603 1 489 . 1 1 48 48 ILE HG21 H 1 0.957 0.02 . 1 . . . . . . . . 5603 1 490 . 1 1 48 48 ILE HG22 H 1 0.957 0.02 . 1 . . . . . . . . 5603 1 491 . 1 1 48 48 ILE HG23 H 1 0.957 0.02 . 1 . . . . . . . . 5603 1 492 . 1 1 48 48 ILE HD11 H 1 0.957 0.02 . 1 . . . . . . . . 5603 1 493 . 1 1 48 48 ILE HD12 H 1 0.957 0.02 . 1 . . . . . . . . 5603 1 494 . 1 1 48 48 ILE HD13 H 1 0.957 0.02 . 1 . . . . . . . . 5603 1 495 . 1 1 48 48 ILE CA C 13 56.052 0.2 . 1 . . . . . . . . 5603 1 496 . 1 1 48 48 ILE N N 15 121.768 0.2 . 1 . . . . . . . . 5603 1 497 . 1 1 50 50 CYS H H 1 7.106 0.02 . 1 . . . . . . . . 5603 1 498 . 1 1 50 50 CYS HA H 1 3.419 0.02 . 1 . . . . . . . . 5603 1 499 . 1 1 50 50 CYS HB2 H 1 2.828 0.02 . 2 . . . . . . . . 5603 1 500 . 1 1 50 50 CYS HB3 H 1 2.593 0.02 . 2 . . . . . . . . 5603 1 501 . 1 1 50 50 CYS C C 13 174.580 0.2 . 1 . . . . . . . . 5603 1 502 . 1 1 50 50 CYS CA C 13 61.030 0.2 . 1 . . . . . . . . 5603 1 503 . 1 1 50 50 CYS CB C 13 46.152 0.2 . 1 . . . . . . . . 5603 1 504 . 1 1 50 50 CYS N N 15 110.836 0.2 . 1 . . . . . . . . 5603 1 505 . 1 1 51 51 SER H H 1 7.552 0.02 . 1 . . . . . . . . 5603 1 506 . 1 1 51 51 SER HA H 1 4.416 0.02 . 1 . . . . . . . . 5603 1 507 . 1 1 51 51 SER HB2 H 1 3.924 0.02 . 1 . . . . . . . . 5603 1 508 . 1 1 51 51 SER HB3 H 1 3.924 0.02 . 1 . . . . . . . . 5603 1 509 . 1 1 51 51 SER C C 13 173.918 0.2 . 1 . . . . . . . . 5603 1 510 . 1 1 51 51 SER CA C 13 58.325 0.2 . 1 . . . . . . . . 5603 1 511 . 1 1 51 51 SER CB C 13 63.830 0.2 . 1 . . . . . . . . 5603 1 512 . 1 1 51 51 SER N N 15 112.382 0.2 . 1 . . . . . . . . 5603 1 513 . 1 1 52 52 ASN H H 1 7.757 0.02 . 1 . . . . . . . . 5603 1 514 . 1 1 52 52 ASN HA H 1 4.808 0.02 . 1 . . . . . . . . 5603 1 515 . 1 1 52 52 ASN HB2 H 1 2.987 0.02 . 1 . . . . . . . . 5603 1 516 . 1 1 52 52 ASN HB3 H 1 2.987 0.02 . 1 . . . . . . . . 5603 1 517 . 1 1 52 52 ASN HD21 H 1 8.154 0.02 . 2 . . . . . . . . 5603 1 518 . 1 1 52 52 ASN HD22 H 1 7.391 0.02 . 2 . . . . . . . . 5603 1 519 . 1 1 52 52 ASN CA C 13 52.187 0.2 . 1 . . . . . . . . 5603 1 520 . 1 1 52 52 ASN N N 15 125.553 0.2 . 1 . . . . . . . . 5603 1 521 . 1 1 52 52 ASN ND2 N 15 116.193 0.2 . 1 . . . . . . . . 5603 1 522 . 1 1 53 53 PRO HA H 1 4.428 0.02 . 1 . . . . . . . . 5603 1 523 . 1 1 53 53 PRO HB2 H 1 2.422 0.02 . 2 . . . . . . . . 5603 1 524 . 1 1 53 53 PRO HB3 H 1 1.946 0.02 . 2 . . . . . . . . 5603 1 525 . 1 1 53 53 PRO HG2 H 1 2.019 0.02 . 1 . . . . . . . . 5603 1 526 . 1 1 53 53 PRO HG3 H 1 2.019 0.02 . 1 . . . . . . . . 5603 1 527 . 1 1 53 53 PRO HD2 H 1 3.968 0.02 . 2 . . . . . . . . 5603 1 528 . 1 1 53 53 PRO HD3 H 1 3.732 0.02 . 2 . . . . . . . . 5603 1 529 . 1 1 53 53 PRO C C 13 176.888 0.2 . 1 . . . . . . . . 5603 1 530 . 1 1 53 53 PRO CA C 13 64.650 0.2 . 1 . . . . . . . . 5603 1 531 . 1 1 53 53 PRO CB C 13 32.048 0.2 . 1 . . . . . . . . 5603 1 532 . 1 1 53 53 PRO CG C 13 27.343 0.2 . 1 . . . . . . . . 5603 1 533 . 1 1 53 53 PRO CD C 13 51.326 0.2 . 1 . . . . . . . . 5603 1 534 . 1 1 54 54 ASN H H 1 8.993 0.02 . 1 . . . . . . . . 5603 1 535 . 1 1 54 54 ASN HA H 1 4.929 0.02 . 1 . . . . . . . . 5603 1 536 . 1 1 54 54 ASN HB2 H 1 2.967 0.02 . 2 . . . . . . . . 5603 1 537 . 1 1 54 54 ASN HB3 H 1 2.509 0.02 . 2 . . . . . . . . 5603 1 538 . 1 1 54 54 ASN HD21 H 1 7.698 0.02 . 2 . . . . . . . . 5603 1 539 . 1 1 54 54 ASN HD22 H 1 7.068 0.02 . 2 . . . . . . . . 5603 1 540 . 1 1 54 54 ASN C C 13 174.315 0.2 . 1 . . . . . . . . 5603 1 541 . 1 1 54 54 ASN CA C 13 52.349 0.2 . 1 . . . . . . . . 5603 1 542 . 1 1 54 54 ASN CB C 13 39.040 0.2 . 1 . . . . . . . . 5603 1 543 . 1 1 54 54 ASN N N 15 114.817 0.2 . 1 . . . . . . . . 5603 1 544 . 1 1 54 54 ASN ND2 N 15 114.344 0.2 . 1 . . . . . . . . 5603 1 545 . 1 1 55 55 PHE H H 1 8.044 0.02 . 1 . . . . . . . . 5603 1 546 . 1 1 55 55 PHE HA H 1 4.214 0.02 . 1 . . . . . . . . 5603 1 547 . 1 1 55 55 PHE HB2 H 1 3.431 0.02 . 2 . . . . . . . . 5603 1 548 . 1 1 55 55 PHE HB3 H 1 2.926 0.02 . 2 . . . . . . . . 5603 1 549 . 1 1 55 55 PHE HD1 H 1 6.898 0.02 . 1 . . . . . . . . 5603 1 550 . 1 1 55 55 PHE HD2 H 1 6.898 0.02 . 1 . . . . . . . . 5603 1 551 . 1 1 55 55 PHE HE1 H 1 6.853 0.02 . 1 . . . . . . . . 5603 1 552 . 1 1 55 55 PHE HE2 H 1 6.853 0.02 . 1 . . . . . . . . 5603 1 553 . 1 1 55 55 PHE HZ H 1 6.805 0.02 . 1 . . . . . . . . 5603 1 554 . 1 1 55 55 PHE CA C 13 57.611 0.2 . 1 . . . . . . . . 5603 1 555 . 1 1 55 55 PHE N N 15 124.422 0.2 . 1 . . . . . . . . 5603 1 556 . 1 1 56 56 PRO HA H 1 4.169 0.02 . 1 . . . . . . . . 5603 1 557 . 1 1 56 56 PRO HB2 H 1 2.203 0.02 . 2 . . . . . . . . 5603 1 558 . 1 1 56 56 PRO HB3 H 1 1.441 0.02 . 2 . . . . . . . . 5603 1 559 . 1 1 56 56 PRO HG2 H 1 1.634 0.02 . 1 . . . . . . . . 5603 1 560 . 1 1 56 56 PRO HG3 H 1 1.634 0.02 . 1 . . . . . . . . 5603 1 561 . 1 1 56 56 PRO C C 13 177.450 0.2 . 1 . . . . . . . . 5603 1 562 . 1 1 56 56 PRO CA C 13 63.051 0.2 . 1 . . . . . . . . 5603 1 563 . 1 1 56 56 PRO CB C 13 31.774 0.2 . 1 . . . . . . . . 5603 1 564 . 1 1 56 56 PRO CG C 13 27.760 0.2 . 1 . . . . . . . . 5603 1 565 . 1 1 57 57 GLU H H 1 8.762 0.02 . 1 . . . . . . . . 5603 1 566 . 1 1 57 57 GLU HA H 1 3.864 0.02 . 1 . . . . . . . . 5603 1 567 . 1 1 57 57 GLU HB2 H 1 2.195 0.02 . 2 . . . . . . . . 5603 1 568 . 1 1 57 57 GLU HB3 H 1 2.035 0.02 . 2 . . . . . . . . 5603 1 569 . 1 1 57 57 GLU HG2 H 1 2.386 0.02 . 1 . . . . . . . . 5603 1 570 . 1 1 57 57 GLU HG3 H 1 2.386 0.02 . 1 . . . . . . . . 5603 1 571 . 1 1 57 57 GLU C C 13 179.533 0.2 . 1 . . . . . . . . 5603 1 572 . 1 1 57 57 GLU CA C 13 59.668 0.2 . 1 . . . . . . . . 5603 1 573 . 1 1 57 57 GLU CB C 13 29.787 0.2 . 1 . . . . . . . . 5603 1 574 . 1 1 57 57 GLU CG C 13 35.596 0.2 . 1 . . . . . . . . 5603 1 575 . 1 1 57 57 GLU N N 15 126.482 0.2 . 1 . . . . . . . . 5603 1 576 . 1 1 58 58 GLU H H 1 9.075 0.02 . 1 . . . . . . . . 5603 1 577 . 1 1 58 58 GLU HA H 1 4.047 0.02 . 1 . . . . . . . . 5603 1 578 . 1 1 58 58 GLU HB2 H 1 2.228 0.02 . 2 . . . . . . . . 5603 1 579 . 1 1 58 58 GLU HB3 H 1 1.683 0.02 . 2 . . . . . . . . 5603 1 580 . 1 1 58 58 GLU HG2 H 1 2.675 0.02 . 1 . . . . . . . . 5603 1 581 . 1 1 58 58 GLU HG3 H 1 2.675 0.02 . 1 . . . . . . . . 5603 1 582 . 1 1 58 58 GLU C C 13 176.523 0.2 . 1 . . . . . . . . 5603 1 583 . 1 1 58 58 GLU CA C 13 58.640 0.2 . 1 . . . . . . . . 5603 1 584 . 1 1 58 58 GLU CB C 13 29.921 0.2 . 1 . . . . . . . . 5603 1 585 . 1 1 58 58 GLU CG C 13 36.256 0.2 . 1 . . . . . . . . 5603 1 586 . 1 1 58 58 GLU N N 15 117.598 0.2 . 1 . . . . . . . . 5603 1 587 . 1 1 59 59 LEU H H 1 7.124 0.02 . 1 . . . . . . . . 5603 1 588 . 1 1 59 59 LEU HA H 1 3.887 0.02 . 1 . . . . . . . . 5603 1 589 . 1 1 59 59 LEU HB2 H 1 1.199 0.02 . 1 . . . . . . . . 5603 1 590 . 1 1 59 59 LEU HB3 H 1 1.199 0.02 . 1 . . . . . . . . 5603 1 591 . 1 1 59 59 LEU HG H 1 0.780 0.02 . 1 . . . . . . . . 5603 1 592 . 1 1 59 59 LEU HD11 H 1 0.213 0.02 . 2 . . . . . . . . 5603 1 593 . 1 1 59 59 LEU HD12 H 1 0.213 0.02 . 2 . . . . . . . . 5603 1 594 . 1 1 59 59 LEU HD13 H 1 0.213 0.02 . 2 . . . . . . . . 5603 1 595 . 1 1 59 59 LEU HD21 H 1 -0.072 0.02 . 2 . . . . . . . . 5603 1 596 . 1 1 59 59 LEU HD22 H 1 -0.072 0.02 . 2 . . . . . . . . 5603 1 597 . 1 1 59 59 LEU HD23 H 1 -0.072 0.02 . 2 . . . . . . . . 5603 1 598 . 1 1 59 59 LEU N N 15 111.280 0.2 . 1 . . . . . . . . 5603 1 599 . 1 1 60 60 LYS H H 1 7.451 0.02 . 1 . . . . . . . . 5603 1 600 . 1 1 60 60 LYS HA H 1 4.205 0.02 . 1 . . . . . . . . 5603 1 601 . 1 1 60 60 LYS HB2 H 1 2.135 0.02 . 1 . . . . . . . . 5603 1 602 . 1 1 60 60 LYS HB3 H 1 2.135 0.02 . 1 . . . . . . . . 5603 1 603 . 1 1 60 60 LYS HG2 H 1 1.620 0.02 . 1 . . . . . . . . 5603 1 604 . 1 1 60 60 LYS HG3 H 1 1.620 0.02 . 1 . . . . . . . . 5603 1 605 . 1 1 60 60 LYS HD2 H 1 1.950 0.02 . 1 . . . . . . . . 5603 1 606 . 1 1 60 60 LYS HD3 H 1 1.950 0.02 . 1 . . . . . . . . 5603 1 607 . 1 1 60 60 LYS CA C 13 61.641 0.2 . 1 . . . . . . . . 5603 1 608 . 1 1 60 60 LYS N N 15 119.227 0.2 . 1 . . . . . . . . 5603 1 609 . 1 1 61 61 PRO HA H 1 4.372 0.02 . 1 . . . . . . . . 5603 1 610 . 1 1 61 61 PRO HB2 H 1 2.650 0.02 . 2 . . . . . . . . 5603 1 611 . 1 1 61 61 PRO HB3 H 1 1.692 0.02 . 2 . . . . . . . . 5603 1 612 . 1 1 61 61 PRO HG2 H 1 2.313 0.02 . 1 . . . . . . . . 5603 1 613 . 1 1 61 61 PRO HG3 H 1 2.313 0.02 . 1 . . . . . . . . 5603 1 614 . 1 1 61 61 PRO HD2 H 1 3.841 0.02 . 2 . . . . . . . . 5603 1 615 . 1 1 61 61 PRO HD3 H 1 3.588 0.02 . 2 . . . . . . . . 5603 1 616 . 1 1 61 61 PRO C C 13 178.694 0.2 . 1 . . . . . . . . 5603 1 617 . 1 1 61 61 PRO CA C 13 66.498 0.2 . 1 . . . . . . . . 5603 1 618 . 1 1 61 61 PRO CB C 13 32.237 0.2 . 1 . . . . . . . . 5603 1 619 . 1 1 61 61 PRO CG C 13 28.502 0.2 . 1 . . . . . . . . 5603 1 620 . 1 1 62 62 LEU H H 1 8.013 0.02 . 1 . . . . . . . . 5603 1 621 . 1 1 62 62 LEU HA H 1 3.935 0.02 . 1 . . . . . . . . 5603 1 622 . 1 1 62 62 LEU HB2 H 1 1.733 0.02 . 2 . . . . . . . . 5603 1 623 . 1 1 62 62 LEU HB3 H 1 1.338 0.02 . 2 . . . . . . . . 5603 1 624 . 1 1 62 62 LEU HG H 1 2.195 0.02 . 1 . . . . . . . . 5603 1 625 . 1 1 62 62 LEU HD11 H 1 0.692 0.02 . 1 . . . . . . . . 5603 1 626 . 1 1 62 62 LEU HD12 H 1 0.692 0.02 . 1 . . . . . . . . 5603 1 627 . 1 1 62 62 LEU HD13 H 1 0.692 0.02 . 1 . . . . . . . . 5603 1 628 . 1 1 62 62 LEU HD21 H 1 0.692 0.02 . 1 . . . . . . . . 5603 1 629 . 1 1 62 62 LEU HD22 H 1 0.692 0.02 . 1 . . . . . . . . 5603 1 630 . 1 1 62 62 LEU HD23 H 1 0.692 0.02 . 1 . . . . . . . . 5603 1 631 . 1 1 62 62 LEU N N 15 115.204 0.2 . 1 . . . . . . . . 5603 1 632 . 1 1 63 63 CYS H H 1 7.959 0.02 . 1 . . . . . . . . 5603 1 633 . 1 1 63 63 CYS HA H 1 3.942 0.02 . 1 . . . . . . . . 5603 1 634 . 1 1 63 63 CYS HB2 H 1 3.332 0.02 . 2 . . . . . . . . 5603 1 635 . 1 1 63 63 CYS HB3 H 1 2.909 0.02 . 2 . . . . . . . . 5603 1 636 . 1 1 63 63 CYS C C 13 174.220 0.2 . 1 . . . . . . . . 5603 1 637 . 1 1 63 63 CYS CA C 13 59.627 0.2 . 1 . . . . . . . . 5603 1 638 . 1 1 63 63 CYS CB C 13 43.817 0.2 . 1 . . . . . . . . 5603 1 639 . 1 1 63 63 CYS N N 15 115.889 0.2 . 1 . . . . . . . . 5603 1 640 . 1 1 64 64 LYS H H 1 7.171 0.02 . 1 . . . . . . . . 5603 1 641 . 1 1 64 64 LYS HA H 1 4.479 0.02 . 1 . . . . . . . . 5603 1 642 . 1 1 64 64 LYS HB2 H 1 1.957 0.02 . 1 . . . . . . . . 5603 1 643 . 1 1 64 64 LYS HB3 H 1 1.957 0.02 . 1 . . . . . . . . 5603 1 644 . 1 1 64 64 LYS HG2 H 1 1.494 0.02 . 1 . . . . . . . . 5603 1 645 . 1 1 64 64 LYS HG3 H 1 1.494 0.02 . 1 . . . . . . . . 5603 1 646 . 1 1 64 64 LYS HD2 H 1 1.733 0.02 . 1 . . . . . . . . 5603 1 647 . 1 1 64 64 LYS HD3 H 1 1.733 0.02 . 1 . . . . . . . . 5603 1 648 . 1 1 64 64 LYS HE2 H 1 3.065 0.02 . 1 . . . . . . . . 5603 1 649 . 1 1 64 64 LYS HE3 H 1 3.065 0.02 . 1 . . . . . . . . 5603 1 650 . 1 1 64 64 LYS C C 13 176.885 0.2 . 1 . . . . . . . . 5603 1 651 . 1 1 64 64 LYS CA C 13 55.618 0.2 . 1 . . . . . . . . 5603 1 652 . 1 1 64 64 LYS CB C 13 32.746 0.2 . 1 . . . . . . . . 5603 1 653 . 1 1 64 64 LYS CG C 13 24.437 0.2 . 1 . . . . . . . . 5603 1 654 . 1 1 64 64 LYS CD C 13 29.112 0.2 . 1 . . . . . . . . 5603 1 655 . 1 1 64 64 LYS CE C 13 42.159 0.2 . 1 . . . . . . . . 5603 1 656 . 1 1 64 64 LYS N N 15 114.949 0.2 . 1 . . . . . . . . 5603 1 657 . 1 1 65 65 GLU H H 1 7.687 0.02 . 1 . . . . . . . . 5603 1 658 . 1 1 65 65 GLU HA H 1 4.521 0.02 . 1 . . . . . . . . 5603 1 659 . 1 1 65 65 GLU HB2 H 1 2.116 0.02 . 1 . . . . . . . . 5603 1 660 . 1 1 65 65 GLU HB3 H 1 2.116 0.02 . 1 . . . . . . . . 5603 1 661 . 1 1 65 65 GLU HG2 H 1 2.550 0.02 . 2 . . . . . . . . 5603 1 662 . 1 1 65 65 GLU HG3 H 1 2.435 0.02 . 2 . . . . . . . . 5603 1 663 . 1 1 65 65 GLU CA C 13 54.247 0.2 . 1 . . . . . . . . 5603 1 664 . 1 1 65 65 GLU N N 15 120.205 0.2 . 1 . . . . . . . . 5603 1 665 . 1 1 66 66 PRO HA H 1 4.443 0.02 . 1 . . . . . . . . 5603 1 666 . 1 1 66 66 PRO HB2 H 1 2.424 0.02 . 2 . . . . . . . . 5603 1 667 . 1 1 66 66 PRO HB3 H 1 2.080 0.02 . 2 . . . . . . . . 5603 1 668 . 1 1 66 66 PRO HG2 H 1 2.139 0.02 . 1 . . . . . . . . 5603 1 669 . 1 1 66 66 PRO HG3 H 1 2.139 0.02 . 1 . . . . . . . . 5603 1 670 . 1 1 66 66 PRO HD2 H 1 4.022 0.02 . 2 . . . . . . . . 5603 1 671 . 1 1 66 66 PRO HD3 H 1 3.907 0.02 . 2 . . . . . . . . 5603 1 672 . 1 1 66 66 PRO C C 13 176.930 0.2 . 1 . . . . . . . . 5603 1 673 . 1 1 66 66 PRO CA C 13 64.618 0.2 . 1 . . . . . . . . 5603 1 674 . 1 1 66 66 PRO CB C 13 31.493 0.2 . 1 . . . . . . . . 5603 1 675 . 1 1 66 66 PRO CG C 13 27.732 0.2 . 1 . . . . . . . . 5603 1 676 . 1 1 66 66 PRO CD C 13 50.349 0.2 . 1 . . . . . . . . 5603 1 677 . 1 1 67 67 ASN H H 1 8.356 0.02 . 1 . . . . . . . . 5603 1 678 . 1 1 67 67 ASN HA H 1 5.183 0.02 . 1 . . . . . . . . 5603 1 679 . 1 1 67 67 ASN HB2 H 1 3.185 0.02 . 2 . . . . . . . . 5603 1 680 . 1 1 67 67 ASN HB3 H 1 2.801 0.02 . 2 . . . . . . . . 5603 1 681 . 1 1 67 67 ASN HD21 H 1 7.854 0.02 . 2 . . . . . . . . 5603 1 682 . 1 1 67 67 ASN HD22 H 1 6.906 0.02 . 2 . . . . . . . . 5603 1 683 . 1 1 67 67 ASN C C 13 175.225 0.2 . 1 . . . . . . . . 5603 1 684 . 1 1 67 67 ASN CA C 13 52.014 0.2 . 1 . . . . . . . . 5603 1 685 . 1 1 67 67 ASN CB C 13 36.493 0.2 . 1 . . . . . . . . 5603 1 686 . 1 1 67 67 ASN N N 15 114.136 0.2 . 1 . . . . . . . . 5603 1 687 . 1 1 67 67 ASN ND2 N 15 111.681 0.2 . 1 . . . . . . . . 5603 1 688 . 1 1 68 68 ALA H H 1 7.423 0.02 . 1 . . . . . . . . 5603 1 689 . 1 1 68 68 ALA HA H 1 3.875 0.02 . 1 . . . . . . . . 5603 1 690 . 1 1 68 68 ALA HB1 H 1 1.614 0.02 . 1 . . . . . . . . 5603 1 691 . 1 1 68 68 ALA HB2 H 1 1.614 0.02 . 1 . . . . . . . . 5603 1 692 . 1 1 68 68 ALA HB3 H 1 1.614 0.02 . 1 . . . . . . . . 5603 1 693 . 1 1 68 68 ALA C C 13 178.550 0.2 . 1 . . . . . . . . 5603 1 694 . 1 1 68 68 ALA CA C 13 56.247 0.2 . 1 . . . . . . . . 5603 1 695 . 1 1 68 68 ALA CB C 13 21.045 0.2 . 1 . . . . . . . . 5603 1 696 . 1 1 68 68 ALA N N 15 122.272 0.2 . 1 . . . . . . . . 5603 1 697 . 1 1 69 69 GLN H H 1 8.934 0.02 . 1 . . . . . . . . 5603 1 698 . 1 1 69 69 GLN HA H 1 3.907 0.02 . 1 . . . . . . . . 5603 1 699 . 1 1 69 69 GLN HB2 H 1 2.095 0.02 . 1 . . . . . . . . 5603 1 700 . 1 1 69 69 GLN HB3 H 1 2.095 0.02 . 1 . . . . . . . . 5603 1 701 . 1 1 69 69 GLN HG2 H 1 2.415 0.02 . 1 . . . . . . . . 5603 1 702 . 1 1 69 69 GLN HG3 H 1 2.415 0.02 . 1 . . . . . . . . 5603 1 703 . 1 1 69 69 GLN HE21 H 1 7.561 0.02 . 2 . . . . . . . . 5603 1 704 . 1 1 69 69 GLN HE22 H 1 6.947 0.02 . 2 . . . . . . . . 5603 1 705 . 1 1 69 69 GLN C C 13 177.978 0.2 . 1 . . . . . . . . 5603 1 706 . 1 1 69 69 GLN CA C 13 59.266 0.2 . 1 . . . . . . . . 5603 1 707 . 1 1 69 69 GLN CB C 13 28.149 0.2 . 1 . . . . . . . . 5603 1 708 . 1 1 69 69 GLN CG C 13 33.393 0.2 . 1 . . . . . . . . 5603 1 709 . 1 1 69 69 GLN N N 15 114.135 0.2 . 1 . . . . . . . . 5603 1 710 . 1 1 69 69 GLN NE2 N 15 111.965 0.2 . 1 . . . . . . . . 5603 1 711 . 1 1 70 70 GLU H H 1 7.709 0.02 . 1 . . . . . . . . 5603 1 712 . 1 1 70 70 GLU HA H 1 4.078 0.02 . 1 . . . . . . . . 5603 1 713 . 1 1 70 70 GLU HB2 H 1 2.220 0.02 . 1 . . . . . . . . 5603 1 714 . 1 1 70 70 GLU HB3 H 1 2.220 0.02 . 1 . . . . . . . . 5603 1 715 . 1 1 70 70 GLU HG2 H 1 2.398 0.02 . 1 . . . . . . . . 5603 1 716 . 1 1 70 70 GLU HG3 H 1 2.398 0.02 . 1 . . . . . . . . 5603 1 717 . 1 1 70 70 GLU C C 13 179.037 0.2 . 1 . . . . . . . . 5603 1 718 . 1 1 70 70 GLU CA C 13 59.331 0.2 . 1 . . . . . . . . 5603 1 719 . 1 1 70 70 GLU CB C 13 29.524 0.2 . 1 . . . . . . . . 5603 1 720 . 1 1 70 70 GLU CG C 13 36.714 0.2 . 1 . . . . . . . . 5603 1 721 . 1 1 70 70 GLU N N 15 119.284 0.2 . 1 . . . . . . . . 5603 1 722 . 1 1 71 71 ILE H H 1 7.864 0.02 . 1 . . . . . . . . 5603 1 723 . 1 1 71 71 ILE HA H 1 3.678 0.02 . 1 . . . . . . . . 5603 1 724 . 1 1 71 71 ILE HB H 1 1.767 0.02 . 1 . . . . . . . . 5603 1 725 . 1 1 71 71 ILE HG12 H 1 1.146 0.02 . 1 . . . . . . . . 5603 1 726 . 1 1 71 71 ILE HG13 H 1 1.146 0.02 . 1 . . . . . . . . 5603 1 727 . 1 1 71 71 ILE HG21 H 1 0.922 0.02 . 1 . . . . . . . . 5603 1 728 . 1 1 71 71 ILE HG22 H 1 0.922 0.02 . 1 . . . . . . . . 5603 1 729 . 1 1 71 71 ILE HG23 H 1 0.922 0.02 . 1 . . . . . . . . 5603 1 730 . 1 1 71 71 ILE HD11 H 1 0.959 0.02 . 1 . . . . . . . . 5603 1 731 . 1 1 71 71 ILE HD12 H 1 0.959 0.02 . 1 . . . . . . . . 5603 1 732 . 1 1 71 71 ILE HD13 H 1 0.959 0.02 . 1 . . . . . . . . 5603 1 733 . 1 1 71 71 ILE C C 13 178.449 0.2 . 1 . . . . . . . . 5603 1 734 . 1 1 71 71 ILE CA C 13 65.245 0.2 . 1 . . . . . . . . 5603 1 735 . 1 1 71 71 ILE CB C 13 38.828 0.2 . 1 . . . . . . . . 5603 1 736 . 1 1 71 71 ILE CG2 C 13 17.631 0.2 . 1 . . . . . . . . 5603 1 737 . 1 1 71 71 ILE N N 15 119.459 0.2 . 1 . . . . . . . . 5603 1 738 . 1 1 72 72 LEU H H 1 8.544 0.02 . 1 . . . . . . . . 5603 1 739 . 1 1 72 72 LEU HA H 1 3.868 0.02 . 1 . . . . . . . . 5603 1 740 . 1 1 72 72 LEU HB2 H 1 1.740 0.02 . 1 . . . . . . . . 5603 1 741 . 1 1 72 72 LEU HB3 H 1 1.740 0.02 . 1 . . . . . . . . 5603 1 742 . 1 1 72 72 LEU HG H 1 1.740 0.02 . 1 . . . . . . . . 5603 1 743 . 1 1 72 72 LEU HD11 H 1 0.960 0.02 . 1 . . . . . . . . 5603 1 744 . 1 1 72 72 LEU HD12 H 1 0.960 0.02 . 1 . . . . . . . . 5603 1 745 . 1 1 72 72 LEU HD13 H 1 0.960 0.02 . 1 . . . . . . . . 5603 1 746 . 1 1 72 72 LEU HD21 H 1 0.960 0.02 . 1 . . . . . . . . 5603 1 747 . 1 1 72 72 LEU HD22 H 1 0.960 0.02 . 1 . . . . . . . . 5603 1 748 . 1 1 72 72 LEU HD23 H 1 0.960 0.02 . 1 . . . . . . . . 5603 1 749 . 1 1 72 72 LEU N N 15 117.657 0.2 . 1 . . . . . . . . 5603 1 750 . 1 1 73 73 GLN H H 1 8.075 0.02 . 1 . . . . . . . . 5603 1 751 . 1 1 73 73 GLN HA H 1 4.048 0.02 . 1 . . . . . . . . 5603 1 752 . 1 1 73 73 GLN HB2 H 1 2.229 0.02 . 1 . . . . . . . . 5603 1 753 . 1 1 73 73 GLN HB3 H 1 2.229 0.02 . 1 . . . . . . . . 5603 1 754 . 1 1 73 73 GLN HG2 H 1 2.493 0.02 . 2 . . . . . . . . 5603 1 755 . 1 1 73 73 GLN HG3 H 1 2.418 0.02 . 2 . . . . . . . . 5603 1 756 . 1 1 73 73 GLN HE21 H 1 7.649 0.02 . 2 . . . . . . . . 5603 1 757 . 1 1 73 73 GLN HE22 H 1 6.898 0.02 . 2 . . . . . . . . 5603 1 758 . 1 1 73 73 GLN C C 13 178.883 0.2 . 1 . . . . . . . . 5603 1 759 . 1 1 73 73 GLN CA C 13 59.301 0.2 . 1 . . . . . . . . 5603 1 760 . 1 1 73 73 GLN CB C 13 28.140 0.2 . 1 . . . . . . . . 5603 1 761 . 1 1 73 73 GLN CG C 13 34.104 0.2 . 1 . . . . . . . . 5603 1 762 . 1 1 73 73 GLN N N 15 117.524 0.2 . 1 . . . . . . . . 5603 1 763 . 1 1 73 73 GLN NE2 N 15 112.190 0.2 . 1 . . . . . . . . 5603 1 764 . 1 1 74 74 ARG H H 1 7.536 0.02 . 1 . . . . . . . . 5603 1 765 . 1 1 74 74 ARG HA H 1 4.128 0.02 . 1 . . . . . . . . 5603 1 766 . 1 1 74 74 ARG HB2 H 1 2.392 0.02 . 1 . . . . . . . . 5603 1 767 . 1 1 74 74 ARG HB3 H 1 2.392 0.02 . 1 . . . . . . . . 5603 1 768 . 1 1 74 74 ARG HG2 H 1 1.709 0.02 . 1 . . . . . . . . 5603 1 769 . 1 1 74 74 ARG HG3 H 1 1.709 0.02 . 1 . . . . . . . . 5603 1 770 . 1 1 74 74 ARG HD2 H 1 3.516 0.02 . 2 . . . . . . . . 5603 1 771 . 1 1 74 74 ARG HD3 H 1 3.120 0.02 . 2 . . . . . . . . 5603 1 772 . 1 1 74 74 ARG HE H 1 9.996 0.02 . 1 . . . . . . . . 5603 1 773 . 1 1 74 74 ARG C C 13 180.439 0.2 . 1 . . . . . . . . 5603 1 774 . 1 1 74 74 ARG CA C 13 60.739 0.2 . 1 . . . . . . . . 5603 1 775 . 1 1 74 74 ARG CB C 13 31.247 0.2 . 1 . . . . . . . . 5603 1 776 . 1 1 74 74 ARG CD C 13 43.682 0.2 . 1 . . . . . . . . 5603 1 777 . 1 1 74 74 ARG CZ C 13 159.895 0.2 . 1 . . . . . . . . 5603 1 778 . 1 1 74 74 ARG N N 15 118.571 0.2 . 1 . . . . . . . . 5603 1 779 . 1 1 74 74 ARG NE N 15 86.379 0.2 . 1 . . . . . . . . 5603 1 780 . 1 1 75 75 LEU H H 1 8.377 0.02 . 1 . . . . . . . . 5603 1 781 . 1 1 75 75 LEU HA H 1 4.038 0.02 . 1 . . . . . . . . 5603 1 782 . 1 1 75 75 LEU HB2 H 1 1.848 0.02 . 2 . . . . . . . . 5603 1 783 . 1 1 75 75 LEU HB3 H 1 1.279 0.02 . 2 . . . . . . . . 5603 1 784 . 1 1 75 75 LEU HG H 1 2.173 0.02 . 1 . . . . . . . . 5603 1 785 . 1 1 75 75 LEU HD11 H 1 0.924 0.02 . 2 . . . . . . . . 5603 1 786 . 1 1 75 75 LEU HD12 H 1 0.924 0.02 . 2 . . . . . . . . 5603 1 787 . 1 1 75 75 LEU HD13 H 1 0.924 0.02 . 2 . . . . . . . . 5603 1 788 . 1 1 75 75 LEU HD21 H 1 0.601 0.02 . 2 . . . . . . . . 5603 1 789 . 1 1 75 75 LEU HD22 H 1 0.601 0.02 . 2 . . . . . . . . 5603 1 790 . 1 1 75 75 LEU HD23 H 1 0.601 0.02 . 2 . . . . . . . . 5603 1 791 . 1 1 75 75 LEU N N 15 118.661 0.2 . 1 . . . . . . . . 5603 1 792 . 1 1 76 76 GLU H H 1 9.059 0.02 . 1 . . . . . . . . 5603 1 793 . 1 1 76 76 GLU HA H 1 3.727 0.02 . 1 . . . . . . . . 5603 1 794 . 1 1 76 76 GLU HB2 H 1 2.211 0.02 . 2 . . . . . . . . 5603 1 795 . 1 1 76 76 GLU HB3 H 1 2.015 0.02 . 2 . . . . . . . . 5603 1 796 . 1 1 76 76 GLU HG2 H 1 2.543 0.02 . 1 . . . . . . . . 5603 1 797 . 1 1 76 76 GLU HG3 H 1 2.543 0.02 . 1 . . . . . . . . 5603 1 798 . 1 1 76 76 GLU C C 13 178.513 0.2 . 1 . . . . . . . . 5603 1 799 . 1 1 76 76 GLU CA C 13 59.177 0.2 . 1 . . . . . . . . 5603 1 800 . 1 1 76 76 GLU CB C 13 28.059 0.2 . 1 . . . . . . . . 5603 1 801 . 1 1 76 76 GLU CG C 13 34.467 0.2 . 1 . . . . . . . . 5603 1 802 . 1 1 76 76 GLU N N 15 119.373 0.2 . 1 . . . . . . . . 5603 1 803 . 1 1 77 77 GLU H H 1 7.604 0.02 . 1 . . . . . . . . 5603 1 804 . 1 1 77 77 GLU HA H 1 3.987 0.02 . 1 . . . . . . . . 5603 1 805 . 1 1 77 77 GLU HB2 H 1 2.145 0.02 . 1 . . . . . . . . 5603 1 806 . 1 1 77 77 GLU HB3 H 1 2.145 0.02 . 1 . . . . . . . . 5603 1 807 . 1 1 77 77 GLU HG2 H 1 2.576 0.02 . 2 . . . . . . . . 5603 1 808 . 1 1 77 77 GLU HG3 H 1 2.273 0.02 . 2 . . . . . . . . 5603 1 809 . 1 1 77 77 GLU C C 13 179.648 0.2 . 1 . . . . . . . . 5603 1 810 . 1 1 77 77 GLU CA C 13 59.299 0.2 . 1 . . . . . . . . 5603 1 811 . 1 1 77 77 GLU CB C 13 28.890 0.2 . 1 . . . . . . . . 5603 1 812 . 1 1 77 77 GLU CG C 13 35.897 0.2 . 1 . . . . . . . . 5603 1 813 . 1 1 77 77 GLU N N 15 118.304 0.2 . 1 . . . . . . . . 5603 1 814 . 1 1 78 78 ILE H H 1 7.020 0.02 . 1 . . . . . . . . 5603 1 815 . 1 1 78 78 ILE HA H 1 3.500 0.02 . 1 . . . . . . . . 5603 1 816 . 1 1 78 78 ILE HB H 1 1.834 0.02 . 1 . . . . . . . . 5603 1 817 . 1 1 78 78 ILE HG12 H 1 1.467 0.02 . 1 . . . . . . . . 5603 1 818 . 1 1 78 78 ILE HG13 H 1 1.467 0.02 . 1 . . . . . . . . 5603 1 819 . 1 1 78 78 ILE HG21 H 1 0.782 0.02 . 1 . . . . . . . . 5603 1 820 . 1 1 78 78 ILE HG22 H 1 0.782 0.02 . 1 . . . . . . . . 5603 1 821 . 1 1 78 78 ILE HG23 H 1 0.782 0.02 . 1 . . . . . . . . 5603 1 822 . 1 1 78 78 ILE HD11 H 1 0.911 0.02 . 1 . . . . . . . . 5603 1 823 . 1 1 78 78 ILE HD12 H 1 0.911 0.02 . 1 . . . . . . . . 5603 1 824 . 1 1 78 78 ILE HD13 H 1 0.911 0.02 . 1 . . . . . . . . 5603 1 825 . 1 1 78 78 ILE C C 13 176.847 0.2 . 1 . . . . . . . . 5603 1 826 . 1 1 78 78 ILE CA C 13 64.585 0.2 . 1 . . . . . . . . 5603 1 827 . 1 1 78 78 ILE CB C 13 38.061 0.2 . 1 . . . . . . . . 5603 1 828 . 1 1 78 78 ILE CG1 C 13 28.395 0.2 . 1 . . . . . . . . 5603 1 829 . 1 1 78 78 ILE CG2 C 13 17.315 0.2 . 1 . . . . . . . . 5603 1 830 . 1 1 78 78 ILE CD1 C 13 14.672 0.2 . 1 . . . . . . . . 5603 1 831 . 1 1 78 78 ILE N N 15 120.136 0.2 . 1 . . . . . . . . 5603 1 832 . 1 1 79 79 ALA H H 1 8.127 0.02 . 1 . . . . . . . . 5603 1 833 . 1 1 79 79 ALA HA H 1 3.676 0.02 . 1 . . . . . . . . 5603 1 834 . 1 1 79 79 ALA HB1 H 1 1.465 0.02 . 1 . . . . . . . . 5603 1 835 . 1 1 79 79 ALA HB2 H 1 1.465 0.02 . 1 . . . . . . . . 5603 1 836 . 1 1 79 79 ALA HB3 H 1 1.465 0.02 . 1 . . . . . . . . 5603 1 837 . 1 1 79 79 ALA C C 13 178.911 0.2 . 1 . . . . . . . . 5603 1 838 . 1 1 79 79 ALA CA C 13 54.860 0.2 . 1 . . . . . . . . 5603 1 839 . 1 1 79 79 ALA CB C 13 19.429 0.2 . 1 . . . . . . . . 5603 1 840 . 1 1 79 79 ALA N N 15 119.084 0.2 . 1 . . . . . . . . 5603 1 841 . 1 1 80 80 GLU H H 1 7.711 0.02 . 1 . . . . . . . . 5603 1 842 . 1 1 80 80 GLU HA H 1 3.987 0.02 . 1 . . . . . . . . 5603 1 843 . 1 1 80 80 GLU HB2 H 1 2.057 0.02 . 1 . . . . . . . . 5603 1 844 . 1 1 80 80 GLU HB3 H 1 2.057 0.02 . 1 . . . . . . . . 5603 1 845 . 1 1 80 80 GLU HG2 H 1 2.409 0.02 . 1 . . . . . . . . 5603 1 846 . 1 1 80 80 GLU HG3 H 1 2.409 0.02 . 1 . . . . . . . . 5603 1 847 . 1 1 80 80 GLU C C 13 176.916 0.2 . 1 . . . . . . . . 5603 1 848 . 1 1 80 80 GLU CA C 13 57.657 0.2 . 1 . . . . . . . . 5603 1 849 . 1 1 80 80 GLU CB C 13 29.383 0.2 . 1 . . . . . . . . 5603 1 850 . 1 1 80 80 GLU CG C 13 34.944 0.2 . 1 . . . . . . . . 5603 1 851 . 1 1 80 80 GLU N N 15 113.399 0.2 . 1 . . . . . . . . 5603 1 852 . 1 1 81 81 ASP H H 1 7.126 0.02 . 1 . . . . . . . . 5603 1 853 . 1 1 81 81 ASP HA H 1 4.985 0.02 . 1 . . . . . . . . 5603 1 854 . 1 1 81 81 ASP HB2 H 1 2.876 0.02 . 2 . . . . . . . . 5603 1 855 . 1 1 81 81 ASP HB3 H 1 2.560 0.02 . 2 . . . . . . . . 5603 1 856 . 1 1 81 81 ASP CA C 13 52.035 0.2 . 1 . . . . . . . . 5603 1 857 . 1 1 81 81 ASP N N 15 114.328 0.2 . 1 . . . . . . . . 5603 1 858 . 1 1 82 82 PRO HA H 1 4.652 0.02 . 1 . . . . . . . . 5603 1 859 . 1 1 82 82 PRO HB2 H 1 2.067 0.02 . 2 . . . . . . . . 5603 1 860 . 1 1 82 82 PRO HB3 H 1 1.966 0.02 . 2 . . . . . . . . 5603 1 861 . 1 1 82 82 PRO HD2 H 1 3.810 0.02 . 2 . . . . . . . . 5603 1 862 . 1 1 82 82 PRO HD3 H 1 3.602 0.02 . 2 . . . . . . . . 5603 1 863 . 1 1 82 82 PRO C C 13 177.950 0.2 . 1 . . . . . . . . 5603 1 864 . 1 1 82 82 PRO CA C 13 64.653 0.2 . 1 . . . . . . . . 5603 1 865 . 1 1 82 82 PRO CB C 13 32.143 0.2 . 1 . . . . . . . . 5603 1 866 . 1 1 82 82 PRO CG C 13 26.405 0.2 . 1 . . . . . . . . 5603 1 867 . 1 1 82 82 PRO CD C 13 49.939 0.2 . 1 . . . . . . . . 5603 1 868 . 1 1 83 83 GLY H H 1 8.567 0.02 . 1 . . . . . . . . 5603 1 869 . 1 1 83 83 GLY HA2 H 1 4.002 0.02 . 2 . . . . . . . . 5603 1 870 . 1 1 83 83 GLY HA3 H 1 3.835 0.02 . 2 . . . . . . . . 5603 1 871 . 1 1 83 83 GLY C C 13 176.586 0.2 . 1 . . . . . . . . 5603 1 872 . 1 1 83 83 GLY CA C 13 48.279 0.2 . 1 . . . . . . . . 5603 1 873 . 1 1 83 83 GLY N N 15 110.855 0.2 . 1 . . . . . . . . 5603 1 874 . 1 1 84 84 THR H H 1 8.395 0.02 . 1 . . . . . . . . 5603 1 875 . 1 1 84 84 THR HA H 1 4.058 0.02 . 1 . . . . . . . . 5603 1 876 . 1 1 84 84 THR HB H 1 4.194 0.02 . 1 . . . . . . . . 5603 1 877 . 1 1 84 84 THR HG21 H 1 1.203 0.02 . 1 . . . . . . . . 5603 1 878 . 1 1 84 84 THR HG22 H 1 1.203 0.02 . 1 . . . . . . . . 5603 1 879 . 1 1 84 84 THR HG23 H 1 1.203 0.02 . 1 . . . . . . . . 5603 1 880 . 1 1 84 84 THR C C 13 176.442 0.2 . 1 . . . . . . . . 5603 1 881 . 1 1 84 84 THR CA C 13 64.654 0.2 . 1 . . . . . . . . 5603 1 882 . 1 1 84 84 THR CB C 13 68.310 0.2 . 1 . . . . . . . . 5603 1 883 . 1 1 84 84 THR CG2 C 13 22.860 0.2 . 1 . . . . . . . . 5603 1 884 . 1 1 84 84 THR N N 15 112.757 0.2 . 1 . . . . . . . . 5603 1 885 . 1 1 85 85 CYS H H 1 8.245 0.02 . 1 . . . . . . . . 5603 1 886 . 1 1 85 85 CYS HA H 1 4.466 0.02 . 1 . . . . . . . . 5603 1 887 . 1 1 85 85 CYS HB2 H 1 3.237 0.02 . 2 . . . . . . . . 5603 1 888 . 1 1 85 85 CYS HB3 H 1 3.138 0.02 . 2 . . . . . . . . 5603 1 889 . 1 1 85 85 CYS C C 13 176.488 0.2 . 1 . . . . . . . . 5603 1 890 . 1 1 85 85 CYS CA C 13 59.005 0.2 . 1 . . . . . . . . 5603 1 891 . 1 1 85 85 CYS CB C 13 41.569 0.2 . 1 . . . . . . . . 5603 1 892 . 1 1 85 85 CYS N N 15 124.125 0.2 . 1 . . . . . . . . 5603 1 893 . 1 1 86 86 GLU H H 1 8.648 0.02 . 1 . . . . . . . . 5603 1 894 . 1 1 86 86 GLU HA H 1 3.857 0.02 . 1 . . . . . . . . 5603 1 895 . 1 1 86 86 GLU HB2 H 1 2.262 0.02 . 2 . . . . . . . . 5603 1 896 . 1 1 86 86 GLU HB3 H 1 2.054 0.02 . 2 . . . . . . . . 5603 1 897 . 1 1 86 86 GLU HG2 H 1 2.364 0.02 . 1 . . . . . . . . 5603 1 898 . 1 1 86 86 GLU HG3 H 1 2.364 0.02 . 1 . . . . . . . . 5603 1 899 . 1 1 86 86 GLU C C 13 176.150 0.2 . 1 . . . . . . . . 5603 1 900 . 1 1 86 86 GLU CA C 13 59.198 0.2 . 1 . . . . . . . . 5603 1 901 . 1 1 86 86 GLU CB C 13 29.988 0.2 . 1 . . . . . . . . 5603 1 902 . 1 1 86 86 GLU CG C 13 36.815 0.2 . 1 . . . . . . . . 5603 1 903 . 1 1 86 86 GLU N N 15 117.360 0.2 . 1 . . . . . . . . 5603 1 904 . 1 1 87 87 ILE H H 1 6.675 0.02 . 1 . . . . . . . . 5603 1 905 . 1 1 87 87 ILE HA H 1 4.627 0.02 . 1 . . . . . . . . 5603 1 906 . 1 1 87 87 ILE HB H 1 2.289 0.02 . 1 . . . . . . . . 5603 1 907 . 1 1 87 87 ILE HG12 H 1 1.496 0.02 . 2 . . . . . . . . 5603 1 908 . 1 1 87 87 ILE HG13 H 1 1.300 0.02 . 2 . . . . . . . . 5603 1 909 . 1 1 87 87 ILE HG21 H 1 0.932 0.02 . 1 . . . . . . . . 5603 1 910 . 1 1 87 87 ILE HG22 H 1 0.932 0.02 . 1 . . . . . . . . 5603 1 911 . 1 1 87 87 ILE HG23 H 1 0.932 0.02 . 1 . . . . . . . . 5603 1 912 . 1 1 87 87 ILE HD11 H 1 0.932 0.02 . 1 . . . . . . . . 5603 1 913 . 1 1 87 87 ILE HD12 H 1 0.932 0.02 . 1 . . . . . . . . 5603 1 914 . 1 1 87 87 ILE HD13 H 1 0.932 0.02 . 1 . . . . . . . . 5603 1 915 . 1 1 87 87 ILE C C 13 177.156 0.2 . 1 . . . . . . . . 5603 1 916 . 1 1 87 87 ILE CA C 13 60.763 0.2 . 1 . . . . . . . . 5603 1 917 . 1 1 87 87 ILE CB C 13 37.649 0.2 . 1 . . . . . . . . 5603 1 918 . 1 1 87 87 ILE CG2 C 13 17.637 0.2 . 1 . . . . . . . . 5603 1 919 . 1 1 87 87 ILE CD1 C 13 14.050 0.2 . 1 . . . . . . . . 5603 1 920 . 1 1 87 87 ILE N N 15 104.649 0.2 . 1 . . . . . . . . 5603 1 921 . 1 1 88 88 CYS H H 1 8.589 0.02 . 1 . . . . . . . . 5603 1 922 . 1 1 88 88 CYS HA H 1 4.023 0.02 . 1 . . . . . . . . 5603 1 923 . 1 1 88 88 CYS HB2 H 1 3.606 0.02 . 2 . . . . . . . . 5603 1 924 . 1 1 88 88 CYS HB3 H 1 3.473 0.02 . 2 . . . . . . . . 5603 1 925 . 1 1 88 88 CYS C C 13 173.833 0.2 . 1 . . . . . . . . 5603 1 926 . 1 1 88 88 CYS CA C 13 60.383 0.2 . 1 . . . . . . . . 5603 1 927 . 1 1 88 88 CYS CB C 13 36.923 0.2 . 1 . . . . . . . . 5603 1 928 . 1 1 88 88 CYS N N 15 116.258 0.2 . 1 . . . . . . . . 5603 1 929 . 1 1 89 89 ALA H H 1 8.378 0.02 . 1 . . . . . . . . 5603 1 930 . 1 1 89 89 ALA HA H 1 4.561 0.02 . 1 . . . . . . . . 5603 1 931 . 1 1 89 89 ALA HB1 H 1 1.478 0.02 . 1 . . . . . . . . 5603 1 932 . 1 1 89 89 ALA HB2 H 1 1.478 0.02 . 1 . . . . . . . . 5603 1 933 . 1 1 89 89 ALA HB3 H 1 1.478 0.02 . 1 . . . . . . . . 5603 1 934 . 1 1 89 89 ALA C C 13 176.837 0.2 . 1 . . . . . . . . 5603 1 935 . 1 1 89 89 ALA CA C 13 52.339 0.2 . 1 . . . . . . . . 5603 1 936 . 1 1 89 89 ALA CB C 13 18.982 0.2 . 1 . . . . . . . . 5603 1 937 . 1 1 89 89 ALA N N 15 118.589 0.2 . 1 . . . . . . . . 5603 1 938 . 1 1 90 90 TYR H H 1 7.050 0.02 . 1 . . . . . . . . 5603 1 939 . 1 1 90 90 TYR HA H 1 4.804 0.02 . 1 . . . . . . . . 5603 1 940 . 1 1 90 90 TYR HB2 H 1 2.973 0.02 . 1 . . . . . . . . 5603 1 941 . 1 1 90 90 TYR HB3 H 1 2.973 0.02 . 1 . . . . . . . . 5603 1 942 . 1 1 90 90 TYR HD1 H 1 7.233 0.02 . 1 . . . . . . . . 5603 1 943 . 1 1 90 90 TYR HD2 H 1 7.233 0.02 . 1 . . . . . . . . 5603 1 944 . 1 1 90 90 TYR HE1 H 1 6.781 0.02 . 1 . . . . . . . . 5603 1 945 . 1 1 90 90 TYR HE2 H 1 6.781 0.02 . 1 . . . . . . . . 5603 1 946 . 1 1 90 90 TYR C C 13 176.997 0.2 . 1 . . . . . . . . 5603 1 947 . 1 1 90 90 TYR CA C 13 55.974 0.2 . 1 . . . . . . . . 5603 1 948 . 1 1 90 90 TYR CB C 13 39.866 0.2 . 1 . . . . . . . . 5603 1 949 . 1 1 90 90 TYR N N 15 118.345 0.2 . 1 . . . . . . . . 5603 1 950 . 1 1 91 91 ALA H H 1 8.421 0.02 . 1 . . . . . . . . 5603 1 951 . 1 1 91 91 ALA HA H 1 4.004 0.02 . 1 . . . . . . . . 5603 1 952 . 1 1 91 91 ALA HB1 H 1 1.317 0.02 . 1 . . . . . . . . 5603 1 953 . 1 1 91 91 ALA HB2 H 1 1.317 0.02 . 1 . . . . . . . . 5603 1 954 . 1 1 91 91 ALA HB3 H 1 1.317 0.02 . 1 . . . . . . . . 5603 1 955 . 1 1 91 91 ALA C C 13 177.700 0.2 . 1 . . . . . . . . 5603 1 956 . 1 1 91 91 ALA CA C 13 55.261 0.2 . 1 . . . . . . . . 5603 1 957 . 1 1 91 91 ALA CB C 13 18.434 0.2 . 1 . . . . . . . . 5603 1 958 . 1 1 91 91 ALA N N 15 127.101 0.2 . 1 . . . . . . . . 5603 1 959 . 1 1 92 92 ALA H H 1 6.462 0.02 . 1 . . . . . . . . 5603 1 960 . 1 1 92 92 ALA HA H 1 4.250 0.02 . 1 . . . . . . . . 5603 1 961 . 1 1 92 92 ALA HB1 H 1 1.616 0.02 . 1 . . . . . . . . 5603 1 962 . 1 1 92 92 ALA HB2 H 1 1.616 0.02 . 1 . . . . . . . . 5603 1 963 . 1 1 92 92 ALA HB3 H 1 1.616 0.02 . 1 . . . . . . . . 5603 1 964 . 1 1 92 92 ALA C C 13 176.357 0.2 . 1 . . . . . . . . 5603 1 965 . 1 1 92 92 ALA CA C 13 53.576 0.2 . 1 . . . . . . . . 5603 1 966 . 1 1 92 92 ALA CB C 13 19.766 0.2 . 1 . . . . . . . . 5603 1 967 . 1 1 92 92 ALA N N 15 115.217 0.2 . 1 . . . . . . . . 5603 1 968 . 1 1 93 93 CYS H H 1 8.052 0.02 . 1 . . . . . . . . 5603 1 969 . 1 1 93 93 CYS HA H 1 5.730 0.02 . 1 . . . . . . . . 5603 1 970 . 1 1 93 93 CYS HB2 H 1 4.052 0.02 . 2 . . . . . . . . 5603 1 971 . 1 1 93 93 CYS HB3 H 1 3.227 0.02 . 2 . . . . . . . . 5603 1 972 . 1 1 93 93 CYS C C 13 172.971 0.2 . 1 . . . . . . . . 5603 1 973 . 1 1 93 93 CYS CA C 13 57.323 0.2 . 1 . . . . . . . . 5603 1 974 . 1 1 93 93 CYS CB C 13 49.265 0.2 . 1 . . . . . . . . 5603 1 975 . 1 1 93 93 CYS N N 15 116.468 0.2 . 1 . . . . . . . . 5603 1 976 . 1 1 94 94 THR H H 1 9.019 0.02 . 1 . . . . . . . . 5603 1 977 . 1 1 94 94 THR HA H 1 4.885 0.02 . 1 . . . . . . . . 5603 1 978 . 1 1 94 94 THR HB H 1 4.270 0.02 . 1 . . . . . . . . 5603 1 979 . 1 1 94 94 THR HG21 H 1 1.097 0.02 . 1 . . . . . . . . 5603 1 980 . 1 1 94 94 THR HG22 H 1 1.097 0.02 . 1 . . . . . . . . 5603 1 981 . 1 1 94 94 THR HG23 H 1 1.097 0.02 . 1 . . . . . . . . 5603 1 982 . 1 1 94 94 THR C C 13 173.286 0.2 . 1 . . . . . . . . 5603 1 983 . 1 1 94 94 THR CA C 13 60.221 0.2 . 1 . . . . . . . . 5603 1 984 . 1 1 94 94 THR CB C 13 72.181 0.2 . 1 . . . . . . . . 5603 1 985 . 1 1 94 94 THR CG2 C 13 21.010 0.2 . 1 . . . . . . . . 5603 1 986 . 1 1 94 94 THR N N 15 113.933 0.2 . 1 . . . . . . . . 5603 1 987 . 1 1 95 95 GLY H H 1 8.642 0.02 . 1 . . . . . . . . 5603 1 988 . 1 1 95 95 GLY HA2 H 1 4.821 0.02 . 2 . . . . . . . . 5603 1 989 . 1 1 95 95 GLY HA3 H 1 3.616 0.02 . 2 . . . . . . . . 5603 1 990 . 1 1 95 95 GLY C C 13 174.629 0.2 . 1 . . . . . . . . 5603 1 991 . 1 1 95 95 GLY CA C 13 44.657 0.2 . 1 . . . . . . . . 5603 1 992 . 1 1 95 95 GLY N N 15 106.414 0.2 . 1 . . . . . . . . 5603 1 993 . 1 1 96 96 CYS H H 1 7.981 0.02 . 1 . . . . . . . . 5603 1 994 . 1 1 96 96 CYS HA H 1 4.155 0.02 . 1 . . . . . . . . 5603 1 995 . 1 1 96 96 CYS HB2 H 1 3.178 0.02 . 2 . . . . . . . . 5603 1 996 . 1 1 96 96 CYS HB3 H 1 3.017 0.02 . 2 . . . . . . . . 5603 1 997 . 1 1 96 96 CYS CA C 13 64.632 0.2 . 1 . . . . . . . . 5603 1 998 . 1 1 96 96 CYS N N 15 121.302 0.2 . 1 . . . . . . . . 5603 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_values_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_values_set_1 _Coupling_constant_list.Entry_ID 5603 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $ex-cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 5603 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 4 4 THR H H 1 . . 1 1 4 4 THR HA H 1 . 11.5 . . 1 . . . . . . . . . . . 5603 1 2 3JHNHA . 1 1 5 5 VAL H H 1 . . 1 1 5 5 VAL HA H 1 . 9.71 . . 1 . . . . . . . . . . . 5603 1 3 3JHNHA . 1 1 6 6 GLN H H 1 . . 1 1 6 6 GLN HA H 1 . 8.58 . . 1 . . . . . . . . . . . 5603 1 4 3JHNHA . 1 1 9 9 ASN H H 1 . . 1 1 9 9 ASN HA H 1 . 8.30 . . 1 . . . . . . . . . . . 5603 1 5 3JHNHA . 1 1 10 10 PHE H H 1 . . 1 1 10 10 PHE HA H 1 . 9.3 . . 1 . . . . . . . . . . . 5603 1 6 3JHNHA . 1 1 11 11 SER H H 1 . . 1 1 11 11 SER HA H 1 . 10.5 . . 1 . . . . . . . . . . . 5603 1 7 3JHNHA . 1 1 12 12 PHE H H 1 . . 1 1 12 12 PHE HA H 1 . 9.40 . . 1 . . . . . . . . . . . 5603 1 8 3JHNHA . 1 1 13 13 SER H H 1 . . 1 1 13 13 SER HA H 1 . 3.76 . . 1 . . . . . . . . . . . 5603 1 9 3JHNHA . 1 1 17 17 VAL H H 1 . . 1 1 17 17 VAL HA H 1 . 4.48 . . 1 . . . . . . . . . . . 5603 1 10 3JHNHA . 1 1 18 18 LYS H H 1 . . 1 1 18 18 LYS HA H 1 . 3.61 . . 1 . . . . . . . . . . . 5603 1 11 3JHNHA . 1 1 19 19 LYS H H 1 . . 1 1 19 19 LYS HA H 1 . 5.41 . . 1 . . . . . . . . . . . 5603 1 12 3JHNHA . 1 1 38 38 ALA H H 1 . . 1 1 38 38 ALA HA H 1 . 5.5 . . 1 . . . . . . . . . . . 5603 1 13 3JHNHA . 1 1 52 52 ASN H H 1 . . 1 1 52 52 ASN HA H 1 . 5.27 . . 1 . . . . . . . . . . . 5603 1 14 3JHNHA . 1 1 54 54 ASN H H 1 . . 1 1 54 54 ASN HA H 1 . 9.0 . . 1 . . . . . . . . . . . 5603 1 15 3JHNHA . 1 1 55 55 PHE H H 1 . . 1 1 55 55 PHE HA H 1 . 3.48 . . 1 . . . . . . . . . . . 5603 1 16 3JHNHA . 1 1 57 57 GLU H H 1 . . 1 1 57 57 GLU HA H 1 . 1.88 . . 1 . . . . . . . . . . . 5603 1 17 3JHNHA . 1 1 58 58 GLU H H 1 . . 1 1 58 58 GLU HA H 1 . 3.34 . . 1 . . . . . . . . . . . 5603 1 18 3JHNHA . 1 1 59 59 LEU H H 1 . . 1 1 59 59 LEU HA H 1 . 8.11 . . 1 . . . . . . . . . . . 5603 1 19 3JHNHA . 1 1 60 60 LYS H H 1 . . 1 1 60 60 LYS HA H 1 . 2.79 . . 1 . . . . . . . . . . . 5603 1 20 3JHNHA . 1 1 64 64 LYS H H 1 . . 1 1 64 64 LYS HA H 1 . 9.3 . . 1 . . . . . . . . . . . 5603 1 21 3JHNHA . 1 1 67 67 ASN H H 1 . . 1 1 67 67 ASN HA H 1 . 9.65 . . 1 . . . . . . . . . . . 5603 1 22 3JHNHA . 1 1 69 69 GLN H H 1 . . 1 1 69 69 GLN HA H 1 . 4.8 . . 1 . . . . . . . . . . . 5603 1 23 3JHNHA . 1 1 70 70 GLU H H 1 . . 1 1 70 70 GLU HA H 1 . 5.6 . . 1 . . . . . . . . . . . 5603 1 24 3JHNHA . 1 1 73 73 GLN H H 1 . . 1 1 73 73 GLN HA H 1 . 4.13 . . 1 . . . . . . . . . . . 5603 1 25 3JHNHA . 1 1 76 76 GLU H H 1 . . 1 1 76 76 GLU HA H 1 . 3.86 . . 1 . . . . . . . . . . . 5603 1 26 3JHNHA . 1 1 77 77 GLU H H 1 . . 1 1 77 77 GLU HA H 1 . 5.6 . . 1 . . . . . . . . . . . 5603 1 27 3JHNHA . 1 1 87 87 ILE H H 1 . . 1 1 87 87 ILE HA H 1 . 10.99 . . 1 . . . . . . . . . . . 5603 1 28 3JHNHA . 1 1 90 90 TYR H H 1 . . 1 1 90 90 TYR HA H 1 . 8.30 . . 1 . . . . . . . . . . . 5603 1 29 3JHNHA . 1 1 93 93 CYS H H 1 . . 1 1 93 93 CYS HA H 1 . 9.5 . . 1 . . . . . . . . . . . 5603 1 30 3JHNHA . 1 1 94 94 THR H H 1 . . 1 1 94 94 THR HA H 1 . 10.7 . . 1 . . . . . . . . . . . 5603 1 stop_ save_