data_15882 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15882 _Entry.Title ; 1H, 15N, 13C backbone assignment of the SPF45 UHM domain ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2008-07-22 _Entry.Accession_date 2008-07-22 _Entry.Last_release_date 2008-10-01 _Entry.Original_release_date 2008-10-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details '1H, 15N, 13C backbone assignment of the SPF45 UHM domain' _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 Lorenzo Corsini . . . 15882 2 Michael Sattler . . . 15882 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15882 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 196 15882 '1H chemical shifts' 96 15882 '15N chemical shifts' 96 15882 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 . . 2008-10-01 2008-07-22 original author . 15882 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2pe8 'SPF45 UHM domain' 15882 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15882 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17589525 _Citation.Full_citation . _Citation.Title 'U2AF-homology motif interactions are required for alternative splicing regulation by SPF45.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 7 _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 620 _Citation.Page_last 629 _Citation.Year 2007 _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 Lorenzo Corsini . . . 15882 1 2 Sophie Bonnal . . . 15882 1 3 Jerome Basquin . . . 15882 1 4 Michael Hothorn . . . 15882 1 5 Klaus Scheffzek . . . 15882 1 6 Juan Valcarcel . . . 15882 1 7 Michael Sattler . . . 15882 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15882 _Assembly.ID 1 _Assembly.Name 'SPF45 UHM domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 11675.4 _Assembly.Enzyme_commission_number . _Assembly.Details 'single protein chain, unbound' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SPF45 1 $SPF45 A . yes native no no . . . 15882 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2pe8 . . X-ray 2.00 identical . 15882 1 yes PDB 2peh . . X-ray 2.11 'ligand-bound version of SPF45 as described here' . 15882 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID splicing 15882 1 'alternative splicing' 15882 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SPF45 _Entity.Sf_category entity _Entity.Sf_framecode SPF45 _Entity.Entry_ID 15882 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SPF45 _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 ; GAMKCPTKVVLLRNMVGAGE VDEDLEVETKEECEKYGKVG KCVIFEIPGAPDDEAVRIFL EFERVESAIKAVVDLNGRYF GGRVVKACFYNLDKFRVLDL AEQV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2PE8 . "Crystal Structure Of The Uhm Domain Of Human Spf45 (free Form)" . . . . . 100.96 105 99.05 99.05 7.06e-64 . . . . 15882 1 2 no PDB 2PEH . "Crystal Structure Of The Uhm Domain Of Human Spf45 In Complex With Sf3b155-Ulm5" . . . . . 100.96 105 99.05 99.05 7.06e-64 . . . . 15882 1 3 no DBJ BAE91606 . "unnamed protein product [Macaca fascicularis]" . . . . . 98.08 124 99.02 100.00 3.92e-64 . . . . 15882 1 4 no DBJ BAG37457 . "unnamed protein product [Homo sapiens]" . . . . . 98.08 401 99.02 100.00 4.36e-63 . . . . 15882 1 5 no DBJ BAI47074 . "RNA binding motif protein 17 [synthetic construct]" . . . . . 98.08 401 99.02 100.00 4.36e-63 . . . . 15882 1 6 no DBJ BAK63294 . "splicing factor 45 [Pan troglodytes]" . . . . . 98.08 401 97.06 98.04 1.07e-61 . . . . 15882 1 7 no GB AAC64085 . "45kDa splicing factor [Mus musculus]" . . . . . 98.08 405 99.02 100.00 3.10e-63 . . . . 15882 1 8 no GB AAH07871 . "RNA binding motif protein 17 [Homo sapiens]" . . . . . 98.08 401 99.02 100.00 4.36e-63 . . . . 15882 1 9 no GB AAH09064 . "RBM17 protein, partial [Homo sapiens]" . . . . . 98.08 369 99.02 100.00 1.94e-63 . . . . 15882 1 10 no GB AAH34896 . "RNA binding motif protein 17 [Mus musculus]" . . . . . 98.08 405 99.02 100.00 3.10e-63 . . . . 15882 1 11 no GB AAH39322 . "RBM17 protein [Homo sapiens]" . . . . . 98.08 401 99.02 100.00 4.36e-63 . . . . 15882 1 12 no REF NP_001013076 . "splicing factor 45 [Rattus norvegicus]" . . . . . 98.08 405 99.02 100.00 3.64e-63 . . . . 15882 1 13 no REF NP_001094553 . "splicing factor 45 [Bos taurus]" . . . . . 98.08 401 99.02 100.00 4.41e-63 . . . . 15882 1 14 no REF NP_001139019 . "splicing factor 45 [Homo sapiens]" . . . . . 98.08 401 99.02 100.00 4.36e-63 . . . . 15882 1 15 no REF NP_001244661 . "splicing factor 45 [Macaca mulatta]" . . . . . 98.08 401 99.02 100.00 4.36e-63 . . . . 15882 1 16 no REF NP_001267436 . "splicing factor 45 [Pan troglodytes]" . . . . . 98.08 401 97.06 98.04 1.07e-61 . . . . 15882 1 17 no SP Q8JZX4 . "RecName: Full=Splicing factor 45; AltName: Full=45 kDa-splicing factor; AltName: Full=RNA-binding motif protein 17" . . . . . 98.08 405 99.02 100.00 3.10e-63 . . . . 15882 1 18 no SP Q96I25 . "RecName: Full=Splicing factor 45; AltName: Full=45 kDa-splicing factor; AltName: Full=RNA-binding motif protein 17" . . . . . 98.08 401 99.02 100.00 4.36e-63 . . . . 15882 1 19 no TPG DAA16000 . "TPA: RNA binding motif protein 17-like [Bos taurus]" . . . . . 98.08 401 97.06 99.02 1.08e-61 . . . . 15882 1 20 no TPG DAA23631 . "TPA: RNA binding motif protein 17 [Bos taurus]" . . . . . 98.08 401 99.02 100.00 4.41e-63 . . . . 15882 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID splicing 15882 1 'alternative splicing' 15882 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 15882 1 2 . ALA . 15882 1 3 . MET . 15882 1 4 . LYS . 15882 1 5 . CYS . 15882 1 6 . PRO . 15882 1 7 . THR . 15882 1 8 . LYS . 15882 1 9 . VAL . 15882 1 10 . VAL . 15882 1 11 . LEU . 15882 1 12 . LEU . 15882 1 13 . ARG . 15882 1 14 . ASN . 15882 1 15 . MET . 15882 1 16 . VAL . 15882 1 17 . GLY . 15882 1 18 . ALA . 15882 1 19 . GLY . 15882 1 20 . GLU . 15882 1 21 . VAL . 15882 1 22 . ASP . 15882 1 23 . GLU . 15882 1 24 . ASP . 15882 1 25 . LEU . 15882 1 26 . GLU . 15882 1 27 . VAL . 15882 1 28 . GLU . 15882 1 29 . THR . 15882 1 30 . LYS . 15882 1 31 . GLU . 15882 1 32 . GLU . 15882 1 33 . CYS . 15882 1 34 . GLU . 15882 1 35 . LYS . 15882 1 36 . TYR . 15882 1 37 . GLY . 15882 1 38 . LYS . 15882 1 39 . VAL . 15882 1 40 . GLY . 15882 1 41 . LYS . 15882 1 42 . CYS . 15882 1 43 . VAL . 15882 1 44 . ILE . 15882 1 45 . PHE . 15882 1 46 . GLU . 15882 1 47 . ILE . 15882 1 48 . PRO . 15882 1 49 . GLY . 15882 1 50 . ALA . 15882 1 51 . PRO . 15882 1 52 . ASP . 15882 1 53 . ASP . 15882 1 54 . GLU . 15882 1 55 . ALA . 15882 1 56 . VAL . 15882 1 57 . ARG . 15882 1 58 . ILE . 15882 1 59 . PHE . 15882 1 60 . LEU . 15882 1 61 . GLU . 15882 1 62 . PHE . 15882 1 63 . GLU . 15882 1 64 . ARG . 15882 1 65 . VAL . 15882 1 66 . GLU . 15882 1 67 . SER . 15882 1 68 . ALA . 15882 1 69 . ILE . 15882 1 70 . LYS . 15882 1 71 . ALA . 15882 1 72 . VAL . 15882 1 73 . VAL . 15882 1 74 . ASP . 15882 1 75 . LEU . 15882 1 76 . ASN . 15882 1 77 . GLY . 15882 1 78 . ARG . 15882 1 79 . TYR . 15882 1 80 . PHE . 15882 1 81 . GLY . 15882 1 82 . GLY . 15882 1 83 . ARG . 15882 1 84 . VAL . 15882 1 85 . VAL . 15882 1 86 . LYS . 15882 1 87 . ALA . 15882 1 88 . CYS . 15882 1 89 . PHE . 15882 1 90 . TYR . 15882 1 91 . ASN . 15882 1 92 . LEU . 15882 1 93 . ASP . 15882 1 94 . LYS . 15882 1 95 . PHE . 15882 1 96 . ARG . 15882 1 97 . VAL . 15882 1 98 . LEU . 15882 1 99 . ASP . 15882 1 100 . LEU . 15882 1 101 . ALA . 15882 1 102 . GLU . 15882 1 103 . GLN . 15882 1 104 . VAL . 15882 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 15882 1 . ALA 2 2 15882 1 . MET 3 3 15882 1 . LYS 4 4 15882 1 . CYS 5 5 15882 1 . PRO 6 6 15882 1 . THR 7 7 15882 1 . LYS 8 8 15882 1 . VAL 9 9 15882 1 . VAL 10 10 15882 1 . LEU 11 11 15882 1 . LEU 12 12 15882 1 . ARG 13 13 15882 1 . ASN 14 14 15882 1 . MET 15 15 15882 1 . VAL 16 16 15882 1 . GLY 17 17 15882 1 . ALA 18 18 15882 1 . GLY 19 19 15882 1 . GLU 20 20 15882 1 . VAL 21 21 15882 1 . ASP 22 22 15882 1 . GLU 23 23 15882 1 . ASP 24 24 15882 1 . LEU 25 25 15882 1 . GLU 26 26 15882 1 . VAL 27 27 15882 1 . GLU 28 28 15882 1 . THR 29 29 15882 1 . LYS 30 30 15882 1 . GLU 31 31 15882 1 . GLU 32 32 15882 1 . CYS 33 33 15882 1 . GLU 34 34 15882 1 . LYS 35 35 15882 1 . TYR 36 36 15882 1 . GLY 37 37 15882 1 . LYS 38 38 15882 1 . VAL 39 39 15882 1 . GLY 40 40 15882 1 . LYS 41 41 15882 1 . CYS 42 42 15882 1 . VAL 43 43 15882 1 . ILE 44 44 15882 1 . PHE 45 45 15882 1 . GLU 46 46 15882 1 . ILE 47 47 15882 1 . PRO 48 48 15882 1 . GLY 49 49 15882 1 . ALA 50 50 15882 1 . PRO 51 51 15882 1 . ASP 52 52 15882 1 . ASP 53 53 15882 1 . GLU 54 54 15882 1 . ALA 55 55 15882 1 . VAL 56 56 15882 1 . ARG 57 57 15882 1 . ILE 58 58 15882 1 . PHE 59 59 15882 1 . LEU 60 60 15882 1 . GLU 61 61 15882 1 . PHE 62 62 15882 1 . GLU 63 63 15882 1 . ARG 64 64 15882 1 . VAL 65 65 15882 1 . GLU 66 66 15882 1 . SER 67 67 15882 1 . ALA 68 68 15882 1 . ILE 69 69 15882 1 . LYS 70 70 15882 1 . ALA 71 71 15882 1 . VAL 72 72 15882 1 . VAL 73 73 15882 1 . ASP 74 74 15882 1 . LEU 75 75 15882 1 . ASN 76 76 15882 1 . GLY 77 77 15882 1 . ARG 78 78 15882 1 . TYR 79 79 15882 1 . PHE 80 80 15882 1 . GLY 81 81 15882 1 . GLY 82 82 15882 1 . ARG 83 83 15882 1 . VAL 84 84 15882 1 . VAL 85 85 15882 1 . LYS 86 86 15882 1 . ALA 87 87 15882 1 . CYS 88 88 15882 1 . PHE 89 89 15882 1 . TYR 90 90 15882 1 . ASN 91 91 15882 1 . LEU 92 92 15882 1 . ASP 93 93 15882 1 . LYS 94 94 15882 1 . PHE 95 95 15882 1 . ARG 96 96 15882 1 . VAL 97 97 15882 1 . LEU 98 98 15882 1 . ASP 99 99 15882 1 . LEU 100 100 15882 1 . ALA 101 101 15882 1 . GLU 102 102 15882 1 . GLN 103 103 15882 1 . VAL 104 104 15882 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 15882 _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 $SPF45 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15882 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 15882 _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 $SPF45 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 'BL21(DE3) pLysS' . . . . . . . . . . . . . . pET9d . . . 'TEV-cleavable His6-GST tag' . . 15882 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15882 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SPF45 '[U-100% 13C; U-100% 15N]' . . 1 $SPF45 . . 0.5 . . mM 0.1 . . . 15882 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15882 _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 temperature 300 0.1 K 15882 1 pH 7.00 0.1 pH 15882 1 pressure 1 . atm 15882 1 'ionic strength' 0.2 . M 15882 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15882 _Software.ID 1 _Software.Name NMRView _Software.Version 5.0.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15882 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15882 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15882 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15882 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15882 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15882 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15882 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 500 . . . 15882 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 15882 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15882 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15882 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15882 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15882 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15882 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15882 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15882 _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 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 15882 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 15882 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15882 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15882 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNCA' . . . 15882 1 3 '3D HNCACB' . . . 15882 1 4 '3D CBCA(CO)NH' . . . 15882 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRView . . 15882 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 MET CA C 13 57.474 . . 1 . . . . 3 MET CA . 15882 1 2 . 1 1 3 3 MET CB C 13 32.489 . . 1 . . . . 3 MET CB . 15882 1 3 . 1 1 4 4 LYS H H 1 8.625 . . 1 . . . . 4 LYS HN . 15882 1 4 . 1 1 4 4 LYS CA C 13 61.501 . . 1 . . . . 4 LYS CA . 15882 1 5 . 1 1 4 4 LYS CB C 13 32.289 . . 1 . . . . 4 LYS CB . 15882 1 6 . 1 1 4 4 LYS N N 15 128.048 . . 1 . . . . 4 LYS N . 15882 1 7 . 1 1 5 5 CYS H H 1 7.821 . . 1 . . . . 5 CYS HN . 15882 1 8 . 1 1 5 5 CYS CA C 13 59.163 . . 1 . . . . 5 CYS CA . 15882 1 9 . 1 1 5 5 CYS CB C 13 28.891 . . 1 . . . . 5 CYS CB . 15882 1 10 . 1 1 5 5 CYS N N 15 116.106 . . 1 . . . . 5 CYS N . 15882 1 11 . 1 1 6 6 PRO CA C 13 62.535 . . 1 . . . . 6 PRO CA . 15882 1 12 . 1 1 6 6 PRO CB C 13 31.975 . . 1 . . . . 6 PRO CB . 15882 1 13 . 1 1 7 7 THR H H 1 6.462 . . 1 . . . . 7 THR HN . 15882 1 14 . 1 1 7 7 THR CA C 13 58.895 . . 1 . . . . 7 THR CA . 15882 1 15 . 1 1 7 7 THR CB C 13 73.115 . . 1 . . . . 7 THR CB . 15882 1 16 . 1 1 7 7 THR N N 15 115.473 . . 1 . . . . 7 THR N . 15882 1 17 . 1 1 8 8 LYS H H 1 8.053 . . 1 . . . . 8 LYS HN . 15882 1 18 . 1 1 8 8 LYS CA C 13 57.674 . . 1 . . . . 8 LYS CA . 15882 1 19 . 1 1 8 8 LYS CB C 13 32.521 . . 1 . . . . 8 LYS CB . 15882 1 20 . 1 1 8 8 LYS N N 15 111.721 . . 1 . . . . 8 LYS N . 15882 1 21 . 1 1 9 9 VAL H H 1 8.371 . . 1 . . . . 9 VAL HN . 15882 1 22 . 1 1 9 9 VAL CA C 13 60.756 . . 1 . . . . 9 VAL CA . 15882 1 23 . 1 1 9 9 VAL CB C 13 31.871 . . 1 . . . . 9 VAL CB . 15882 1 24 . 1 1 9 9 VAL N N 15 119.385 . . 1 . . . . 9 VAL N . 15882 1 25 . 1 1 10 10 VAL H H 1 8.941 . . 1 . . . . 10 VAL HN . 15882 1 26 . 1 1 10 10 VAL CA C 13 60.332 . . 1 . . . . 10 VAL CA . 15882 1 27 . 1 1 10 10 VAL CB C 13 34.883 . . 1 . . . . 10 VAL CB . 15882 1 28 . 1 1 10 10 VAL N N 15 126.275 . . 1 . . . . 10 VAL N . 15882 1 29 . 1 1 11 11 LEU H H 1 8.641 . . 1 . . . . 11 LEU HN . 15882 1 30 . 1 1 11 11 LEU CA C 13 52.252 . . 1 . . . . 11 LEU CA . 15882 1 31 . 1 1 11 11 LEU CB C 13 42.812 . . 1 . . . . 11 LEU CB . 15882 1 32 . 1 1 11 11 LEU N N 15 126.842 . . 1 . . . . 11 LEU N . 15882 1 33 . 1 1 12 12 LEU H H 1 9.372 . . 1 . . . . 12 LEU HN . 15882 1 34 . 1 1 12 12 LEU CA C 13 52.605 . . 1 . . . . 12 LEU CA . 15882 1 35 . 1 1 12 12 LEU CB C 13 42.816 . . 1 . . . . 12 LEU CB . 15882 1 36 . 1 1 12 12 LEU N N 15 127.512 . . 1 . . . . 12 LEU N . 15882 1 37 . 1 1 13 13 ARG H H 1 8.788 . . 1 . . . . 13 ARG HN . 15882 1 38 . 1 1 13 13 ARG CA C 13 54.301 . . 1 . . . . 13 ARG CA . 15882 1 39 . 1 1 13 13 ARG CB C 13 34.164 . . 1 . . . . 13 ARG CB . 15882 1 40 . 1 1 13 13 ARG N N 15 122.090 . . 1 . . . . 13 ARG N . 15882 1 41 . 1 1 14 14 ASN H H 1 9.636 . . 1 . . . . 14 ASN HN . 15882 1 42 . 1 1 14 14 ASN CA C 13 53.458 . . 1 . . . . 14 ASN CA . 15882 1 43 . 1 1 14 14 ASN CB C 13 38.624 . . 1 . . . . 14 ASN CB . 15882 1 44 . 1 1 14 14 ASN N N 15 117.583 . . 1 . . . . 14 ASN N . 15882 1 45 . 1 1 15 15 MET H H 1 8.199 . . 1 . . . . 15 MET HN . 15882 1 46 . 1 1 15 15 MET CA C 13 57.915 . . 1 . . . . 15 MET CA . 15882 1 47 . 1 1 15 15 MET CB C 13 33.860 . . 1 . . . . 15 MET CB . 15882 1 48 . 1 1 15 15 MET N N 15 115.214 . . 1 . . . . 15 MET N . 15882 1 49 . 1 1 16 16 VAL H H 1 6.758 . . 1 . . . . 16 VAL HN . 15882 1 50 . 1 1 16 16 VAL CA C 13 58.188 . . 1 . . . . 16 VAL CA . 15882 1 51 . 1 1 16 16 VAL CB C 13 35.174 . . 1 . . . . 16 VAL CB . 15882 1 52 . 1 1 16 16 VAL N N 15 105.708 . . 1 . . . . 16 VAL N . 15882 1 53 . 1 1 17 17 GLY H H 1 8.229 . . 1 . . . . 17 GLY HN . 15882 1 54 . 1 1 17 17 GLY CA C 13 43.589 . . 1 . . . . 17 GLY CA . 15882 1 55 . 1 1 17 17 GLY N N 15 108.771 . . 1 . . . . 17 GLY N . 15882 1 56 . 1 1 18 18 ALA H H 1 7.830 . . 1 . . . . 18 ALA HN . 15882 1 57 . 1 1 18 18 ALA CA C 13 53.051 . . 1 . . . . 18 ALA CA . 15882 1 58 . 1 1 18 18 ALA CB C 13 18.393 . . 1 . . . . 18 ALA CB . 15882 1 59 . 1 1 18 18 ALA N N 15 119.656 . . 1 . . . . 18 ALA N . 15882 1 60 . 1 1 19 19 GLY H H 1 8.585 . . 1 . . . . 19 GLY HN . 15882 1 61 . 1 1 19 19 GLY CA C 13 45.331 . . 1 . . . . 19 GLY CA . 15882 1 62 . 1 1 19 19 GLY N N 15 109.044 . . 1 . . . . 19 GLY N . 15882 1 63 . 1 1 20 20 GLU H H 1 8.004 . . 1 . . . . 20 GLU HN . 15882 1 64 . 1 1 20 20 GLU CA C 13 56.837 . . 1 . . . . 20 GLU CA . 15882 1 65 . 1 1 20 20 GLU CB C 13 29.157 . . 1 . . . . 20 GLU CB . 15882 1 66 . 1 1 20 20 GLU N N 15 115.712 . . 1 . . . . 20 GLU N . 15882 1 67 . 1 1 21 21 VAL H H 1 7.761 . . 1 . . . . 21 VAL HN . 15882 1 68 . 1 1 21 21 VAL CA C 13 63.893 . . 1 . . . . 21 VAL CA . 15882 1 69 . 1 1 21 21 VAL CB C 13 31.229 . . 1 . . . . 21 VAL CB . 15882 1 70 . 1 1 21 21 VAL N N 15 120.805 . . 1 . . . . 21 VAL N . 15882 1 71 . 1 1 22 22 ASP H H 1 7.312 . . 1 . . . . 22 ASP HN . 15882 1 72 . 1 1 22 22 ASP CA C 13 52.300 . . 1 . . . . 22 ASP CA . 15882 1 73 . 1 1 22 22 ASP CB C 13 42.303 . . 1 . . . . 22 ASP CB . 15882 1 74 . 1 1 22 22 ASP N N 15 126.716 . . 1 . . . . 22 ASP N . 15882 1 75 . 1 1 23 23 GLU H H 1 8.604 . . 1 . . . . 23 GLU HN . 15882 1 76 . 1 1 23 23 GLU CA C 13 58.748 . . 1 . . . . 23 GLU CA . 15882 1 77 . 1 1 23 23 GLU CB C 13 29.153 . . 1 . . . . 23 GLU CB . 15882 1 78 . 1 1 23 23 GLU N N 15 119.296 . . 1 . . . . 23 GLU N . 15882 1 79 . 1 1 24 24 ASP H H 1 7.989 . . 1 . . . . 24 ASP HN . 15882 1 80 . 1 1 24 24 ASP CA C 13 54.856 . . 1 . . . . 24 ASP CA . 15882 1 81 . 1 1 24 24 ASP CB C 13 40.798 . . 1 . . . . 24 ASP CB . 15882 1 82 . 1 1 24 24 ASP N N 15 117.998 . . 1 . . . . 24 ASP N . 15882 1 83 . 1 1 25 25 LEU H H 1 7.310 . . 1 . . . . 25 LEU HN . 15882 1 84 . 1 1 25 25 LEU CA C 13 58.162 . . 1 . . . . 25 LEU CA . 15882 1 85 . 1 1 25 25 LEU CB C 13 41.012 . . 1 . . . . 25 LEU CB . 15882 1 86 . 1 1 25 25 LEU N N 15 121.918 . . 1 . . . . 25 LEU N . 15882 1 87 . 1 1 26 26 GLU H H 1 8.495 . . 1 . . . . 26 GLU HN . 15882 1 88 . 1 1 26 26 GLU CA C 13 60.223 . . 1 . . . . 26 GLU CA . 15882 1 89 . 1 1 26 26 GLU CB C 13 30.569 . . 1 . . . . 26 GLU CB . 15882 1 90 . 1 1 26 26 GLU N N 15 121.499 . . 1 . . . . 26 GLU N . 15882 1 91 . 1 1 27 27 VAL H H 1 7.361 . . 1 . . . . 27 VAL HN . 15882 1 92 . 1 1 27 27 VAL CA C 13 66.018 . . 1 . . . . 27 VAL CA . 15882 1 93 . 1 1 27 27 VAL CB C 13 30.789 . . 1 . . . . 27 VAL CB . 15882 1 94 . 1 1 27 27 VAL N N 15 118.797 . . 1 . . . . 27 VAL N . 15882 1 95 . 1 1 28 28 GLU H H 1 8.226 . . 1 . . . . 28 GLU HN . 15882 1 96 . 1 1 28 28 GLU CA C 13 58.768 . . 1 . . . . 28 GLU CA . 15882 1 97 . 1 1 28 28 GLU CB C 13 29.390 . . 1 . . . . 28 GLU CB . 15882 1 98 . 1 1 28 28 GLU N N 15 119.016 . . 1 . . . . 28 GLU N . 15882 1 99 . 1 1 29 29 THR CA C 13 57.633 . . 1 . . . . 29 THR CA . 15882 1 100 . 1 1 29 29 THR CB C 13 63.889 . . 1 . . . . 29 THR CB . 15882 1 101 . 1 1 30 30 LYS H H 1 7.526 . . 1 . . . . 30 LYS HN . 15882 1 102 . 1 1 30 30 LYS CA C 13 58.892 . . 1 . . . . 30 LYS CA . 15882 1 103 . 1 1 30 30 LYS CB C 13 28.449 . . 1 . . . . 30 LYS CB . 15882 1 104 . 1 1 30 30 LYS N N 15 127.044 . . 1 . . . . 30 LYS N . 15882 1 105 . 1 1 31 31 GLU H H 1 8.049 . . 1 . . . . 31 GLU HN . 15882 1 106 . 1 1 31 31 GLU CA C 13 67.390 . . 1 . . . . 31 GLU CA . 15882 1 107 . 1 1 31 31 GLU CB C 13 29.639 . . 1 . . . . 31 GLU CB . 15882 1 108 . 1 1 31 31 GLU N N 15 116.799 . . 1 . . . . 31 GLU N . 15882 1 109 . 1 1 32 32 GLU H H 1 8.041 . . 1 . . . . 32 GLU HN . 15882 1 110 . 1 1 32 32 GLU CA C 13 58.440 . . 1 . . . . 32 GLU CA . 15882 1 111 . 1 1 32 32 GLU CB C 13 28.482 . . 1 . . . . 32 GLU CB . 15882 1 112 . 1 1 32 32 GLU N N 15 121.741 . . 1 . . . . 32 GLU N . 15882 1 113 . 1 1 33 33 CYS H H 1 7.676 . . 1 . . . . 33 CYS HN . 15882 1 114 . 1 1 33 33 CYS CA C 13 62.438 . . 1 . . . . 33 CYS CA . 15882 1 115 . 1 1 33 33 CYS CB C 13 27.727 . . 1 . . . . 33 CYS CB . 15882 1 116 . 1 1 33 33 CYS N N 15 113.508 . . 1 . . . . 33 CYS N . 15882 1 117 . 1 1 34 34 GLU H H 1 7.502 . . 1 . . . . 34 GLU HN . 15882 1 118 . 1 1 34 34 GLU CA C 13 57.749 . . 1 . . . . 34 GLU CA . 15882 1 119 . 1 1 34 34 GLU CB C 13 28.336 . . 1 . . . . 34 GLU CB . 15882 1 120 . 1 1 34 34 GLU N N 15 121.072 . . 1 . . . . 34 GLU N . 15882 1 121 . 1 1 35 35 LYS H H 1 7.113 . . 1 . . . . 35 LYS HN . 15882 1 122 . 1 1 35 35 LYS CA C 13 57.825 . . 1 . . . . 35 LYS CA . 15882 1 123 . 1 1 35 35 LYS CB C 13 30.742 . . 1 . . . . 35 LYS CB . 15882 1 124 . 1 1 35 35 LYS N N 15 116.893 . . 1 . . . . 35 LYS N . 15882 1 125 . 1 1 36 36 TYR H H 1 7.307 . . 1 . . . . 36 TYR HN . 15882 1 126 . 1 1 36 36 TYR CA C 13 58.402 . . 1 . . . . 36 TYR CA . 15882 1 127 . 1 1 36 36 TYR CB C 13 37.940 . . 1 . . . . 36 TYR CB . 15882 1 128 . 1 1 36 36 TYR N N 15 119.597 . . 1 . . . . 36 TYR N . 15882 1 129 . 1 1 37 37 GLY H H 1 7.243 . . 1 . . . . 37 GLY HN . 15882 1 130 . 1 1 37 37 GLY CA C 13 44.287 . . 1 . . . . 37 GLY CA . 15882 1 131 . 1 1 37 37 GLY N N 15 106.522 . . 1 . . . . 37 GLY N . 15882 1 132 . 1 1 38 38 LYS H H 1 7.920 . . 1 . . . . 38 LYS HN . 15882 1 133 . 1 1 38 38 LYS CA C 13 55.917 . . 1 . . . . 38 LYS CA . 15882 1 134 . 1 1 38 38 LYS CB C 13 32.876 . . 1 . . . . 38 LYS CB . 15882 1 135 . 1 1 38 38 LYS N N 15 121.324 . . 1 . . . . 38 LYS N . 15882 1 136 . 1 1 39 39 VAL H H 1 7.975 . . 1 . . . . 39 VAL HN . 15882 1 137 . 1 1 39 39 VAL CA C 13 61.830 . . 1 . . . . 39 VAL CA . 15882 1 138 . 1 1 39 39 VAL CB C 13 33.023 . . 1 . . . . 39 VAL CB . 15882 1 139 . 1 1 39 39 VAL N N 15 121.988 . . 1 . . . . 39 VAL N . 15882 1 140 . 1 1 40 40 GLY H H 1 9.076 . . 1 . . . . 40 GLY HN . 15882 1 141 . 1 1 40 40 GLY CA C 13 45.939 . . 1 . . . . 40 GLY CA . 15882 1 142 . 1 1 40 40 GLY N N 15 116.462 . . 1 . . . . 40 GLY N . 15882 1 143 . 1 1 41 41 LYS H H 1 7.425 . . 1 . . . . 41 LYS HN . 15882 1 144 . 1 1 41 41 LYS CA C 13 56.009 . . 1 . . . . 41 LYS CA . 15882 1 145 . 1 1 41 41 LYS CB C 13 36.224 . . 1 . . . . 41 LYS CB . 15882 1 146 . 1 1 41 41 LYS N N 15 119.251 . . 1 . . . . 41 LYS N . 15882 1 147 . 1 1 42 42 CYS H H 1 8.425 . . 1 . . . . 42 CYS HN . 15882 1 148 . 1 1 42 42 CYS CA C 13 56.157 . . 1 . . . . 42 CYS CA . 15882 1 149 . 1 1 42 42 CYS CB C 13 28.979 . . 1 . . . . 42 CYS CB . 15882 1 150 . 1 1 42 42 CYS N N 15 123.988 . . 1 . . . . 42 CYS N . 15882 1 151 . 1 1 43 43 VAL H H 1 8.944 . . 1 . . . . 43 VAL HN . 15882 1 152 . 1 1 43 43 VAL CA C 13 60.941 . . 1 . . . . 43 VAL CA . 15882 1 153 . 1 1 43 43 VAL CB C 13 36.663 . . 1 . . . . 43 VAL CB . 15882 1 154 . 1 1 43 43 VAL N N 15 128.443 . . 1 . . . . 43 VAL N . 15882 1 155 . 1 1 44 44 ILE H H 1 8.741 . . 1 . . . . 44 ILE HN . 15882 1 156 . 1 1 44 44 ILE CA C 13 60.498 . . 1 . . . . 44 ILE CA . 15882 1 157 . 1 1 44 44 ILE CB C 13 37.722 . . 1 . . . . 44 ILE CB . 15882 1 158 . 1 1 44 44 ILE N N 15 127.317 . . 1 . . . . 44 ILE N . 15882 1 159 . 1 1 45 45 PHE H H 1 9.391 . . 1 . . . . 45 PHE HN . 15882 1 160 . 1 1 45 45 PHE CA C 13 56.495 . . 1 . . . . 45 PHE CA . 15882 1 161 . 1 1 45 45 PHE CB C 13 44.097 . . 1 . . . . 45 PHE CB . 15882 1 162 . 1 1 45 45 PHE N N 15 131.243 . . 1 . . . . 45 PHE N . 15882 1 163 . 1 1 46 46 GLU H H 1 7.893 . . 1 . . . . 46 GLU HN . 15882 1 164 . 1 1 46 46 GLU CA C 13 54.014 . . 1 . . . . 46 GLU CA . 15882 1 165 . 1 1 46 46 GLU CB C 13 31.604 . . 1 . . . . 46 GLU CB . 15882 1 166 . 1 1 46 46 GLU N N 15 127.950 . . 1 . . . . 46 GLU N . 15882 1 167 . 1 1 47 47 ILE H H 1 8.762 . . 1 . . . . 47 ILE HN . 15882 1 168 . 1 1 47 47 ILE CA C 13 58.357 . . 1 . . . . 47 ILE CA . 15882 1 169 . 1 1 47 47 ILE CB C 13 38.620 . . 1 . . . . 47 ILE CB . 15882 1 170 . 1 1 47 47 ILE N N 15 126.130 . . 1 . . . . 47 ILE N . 15882 1 171 . 1 1 48 48 PRO CA C 13 63.223 . . 1 . . . . 48 PRO CA . 15882 1 172 . 1 1 48 48 PRO CB C 13 31.468 . . 1 . . . . 48 PRO CB . 15882 1 173 . 1 1 49 49 GLY H H 1 8.535 . . 1 . . . . 49 GLY HN . 15882 1 174 . 1 1 49 49 GLY CA C 13 45.412 . . 1 . . . . 49 GLY CA . 15882 1 175 . 1 1 49 49 GLY N N 15 112.057 . . 1 . . . . 49 GLY N . 15882 1 176 . 1 1 50 50 ALA H H 1 6.832 . . 1 . . . . 50 ALA HN . 15882 1 177 . 1 1 50 50 ALA CA C 13 50.321 . . 1 . . . . 50 ALA CA . 15882 1 178 . 1 1 50 50 ALA CB C 13 17.535 . . 1 . . . . 50 ALA CB . 15882 1 179 . 1 1 50 50 ALA N N 15 122.957 . . 1 . . . . 50 ALA N . 15882 1 180 . 1 1 51 51 PRO CA C 13 62.598 . . 1 . . . . 51 PRO CA . 15882 1 181 . 1 1 51 51 PRO CB C 13 32.083 . . 1 . . . . 51 PRO CB . 15882 1 182 . 1 1 52 52 ASP H H 1 8.582 . . 1 . . . . 52 ASP HN . 15882 1 183 . 1 1 52 52 ASP CA C 13 58.263 . . 1 . . . . 52 ASP CA . 15882 1 184 . 1 1 52 52 ASP CB C 13 42.571 . . 1 . . . . 52 ASP CB . 15882 1 185 . 1 1 52 52 ASP N N 15 121.266 . . 1 . . . . 52 ASP N . 15882 1 186 . 1 1 53 53 ASP H H 1 8.284 . . 1 . . . . 53 ASP HN . 15882 1 187 . 1 1 53 53 ASP CA C 13 53.643 . . 1 . . . . 53 ASP CA . 15882 1 188 . 1 1 53 53 ASP CB C 13 39.359 . . 1 . . . . 53 ASP CB . 15882 1 189 . 1 1 53 53 ASP N N 15 113.109 . . 1 . . . . 53 ASP N . 15882 1 190 . 1 1 54 54 GLU H H 1 7.436 . . 1 . . . . 54 GLU HN . 15882 1 191 . 1 1 54 54 GLU CA C 13 55.041 . . 1 . . . . 54 GLU CA . 15882 1 192 . 1 1 54 54 GLU CB C 13 32.646 . . 1 . . . . 54 GLU CB . 15882 1 193 . 1 1 54 54 GLU N N 15 115.450 . . 1 . . . . 54 GLU N . 15882 1 194 . 1 1 55 55 ALA H H 1 6.847 . . 1 . . . . 55 ALA HN . 15882 1 195 . 1 1 55 55 ALA CA C 13 55.693 . . 1 . . . . 55 ALA CA . 15882 1 196 . 1 1 55 55 ALA CB C 13 19.532 . . 1 . . . . 55 ALA CB . 15882 1 197 . 1 1 55 55 ALA N N 15 119.991 . . 1 . . . . 55 ALA N . 15882 1 198 . 1 1 56 56 VAL H H 1 7.835 . . 1 . . . . 56 VAL HN . 15882 1 199 . 1 1 56 56 VAL CA C 13 62.223 . . 1 . . . . 56 VAL CA . 15882 1 200 . 1 1 56 56 VAL CB C 13 31.807 . . 1 . . . . 56 VAL CB . 15882 1 201 . 1 1 56 56 VAL N N 15 114.004 . . 1 . . . . 56 VAL N . 15882 1 202 . 1 1 57 57 ARG H H 1 9.170 . . 1 . . . . 57 ARG HN . 15882 1 203 . 1 1 57 57 ARG CA C 13 55.833 . . 1 . . . . 57 ARG CA . 15882 1 204 . 1 1 57 57 ARG CB C 13 32.473 . . 1 . . . . 57 ARG CB . 15882 1 205 . 1 1 57 57 ARG N N 15 130.520 . . 1 . . . . 57 ARG N . 15882 1 206 . 1 1 58 58 ILE H H 1 7.848 . . 1 . . . . 58 ILE HN . 15882 1 207 . 1 1 58 58 ILE CA C 13 60.659 . . 1 . . . . 58 ILE CA . 15882 1 208 . 1 1 58 58 ILE CB C 13 39.499 . . 1 . . . . 58 ILE CB . 15882 1 209 . 1 1 58 58 ILE N N 15 122.065 . . 1 . . . . 58 ILE N . 15882 1 210 . 1 1 59 59 PHE H H 1 9.364 . . 1 . . . . 59 PHE HN . 15882 1 211 . 1 1 59 59 PHE CA C 13 55.831 . . 1 . . . . 59 PHE CA . 15882 1 212 . 1 1 59 59 PHE CB C 13 42.590 . . 1 . . . . 59 PHE CB . 15882 1 213 . 1 1 59 59 PHE N N 15 125.337 . . 1 . . . . 59 PHE N . 15882 1 214 . 1 1 60 60 LEU H H 1 9.095 . . 1 . . . . 60 LEU HN . 15882 1 215 . 1 1 60 60 LEU CA C 13 52.682 . . 1 . . . . 60 LEU CA . 15882 1 216 . 1 1 60 60 LEU CB C 13 44.841 . . 1 . . . . 60 LEU CB . 15882 1 217 . 1 1 60 60 LEU N N 15 122.562 . . 1 . . . . 60 LEU N . 15882 1 218 . 1 1 61 61 GLU H H 1 8.316 . . 1 . . . . 61 GLU HN . 15882 1 219 . 1 1 61 61 GLU CA C 13 54.048 . . 1 . . . . 61 GLU CA . 15882 1 220 . 1 1 61 61 GLU CB C 13 30.829 . . 1 . . . . 61 GLU CB . 15882 1 221 . 1 1 61 61 GLU N N 15 122.553 . . 1 . . . . 61 GLU N . 15882 1 222 . 1 1 62 62 PHE H H 1 9.233 . . 1 . . . . 62 PHE HN . 15882 1 223 . 1 1 62 62 PHE CA C 13 58.636 . . 1 . . . . 62 PHE CA . 15882 1 224 . 1 1 62 62 PHE CB C 13 40.860 . . 1 . . . . 62 PHE CB . 15882 1 225 . 1 1 62 62 PHE N N 15 127.159 . . 1 . . . . 62 PHE N . 15882 1 226 . 1 1 63 63 GLU H H 1 7.854 . . 1 . . . . 63 GLU HN . 15882 1 227 . 1 1 63 63 GLU CA C 13 59.084 . . 1 . . . . 63 GLU CA . 15882 1 228 . 1 1 63 63 GLU CB C 13 30.077 . . 1 . . . . 63 GLU CB . 15882 1 229 . 1 1 63 63 GLU N N 15 118.873 . . 1 . . . . 63 GLU N . 15882 1 230 . 1 1 64 64 ARG H H 1 8.184 . . 1 . . . . 64 ARG HN . 15882 1 231 . 1 1 64 64 ARG CA C 13 53.626 . . 1 . . . . 64 ARG CA . 15882 1 232 . 1 1 64 64 ARG CB C 13 32.626 . . 1 . . . . 64 ARG CB . 15882 1 233 . 1 1 64 64 ARG N N 15 114.702 . . 1 . . . . 64 ARG N . 15882 1 234 . 1 1 65 65 VAL H H 1 8.832 . . 1 . . . . 65 VAL HN . 15882 1 235 . 1 1 65 65 VAL CA C 13 65.573 . . 1 . . . . 65 VAL CA . 15882 1 236 . 1 1 65 65 VAL CB C 13 31.735 . . 1 . . . . 65 VAL CB . 15882 1 237 . 1 1 65 65 VAL N N 15 124.937 . . 1 . . . . 65 VAL N . 15882 1 238 . 1 1 66 66 GLU H H 1 9.290 . . 1 . . . . 66 GLU HN . 15882 1 239 . 1 1 66 66 GLU CA C 13 60.639 . . 1 . . . . 66 GLU CA . 15882 1 240 . 1 1 66 66 GLU CB C 13 28.500 . . 1 . . . . 66 GLU CB . 15882 1 241 . 1 1 66 66 GLU N N 15 118.858 . . 1 . . . . 66 GLU N . 15882 1 242 . 1 1 67 67 SER H H 1 6.775 . . 1 . . . . 67 SER HN . 15882 1 243 . 1 1 67 67 SER CA C 13 60.697 . . 1 . . . . 67 SER CA . 15882 1 244 . 1 1 67 67 SER CB C 13 62.958 . . 1 . . . . 67 SER CB . 15882 1 245 . 1 1 67 67 SER N N 15 114.530 . . 1 . . . . 67 SER N . 15882 1 246 . 1 1 68 68 ALA H H 1 6.433 . . 1 . . . . 68 ALA HN . 15882 1 247 . 1 1 68 68 ALA CA C 13 54.612 . . 1 . . . . 68 ALA CA . 15882 1 248 . 1 1 68 68 ALA CB C 13 19.491 . . 1 . . . . 68 ALA CB . 15882 1 249 . 1 1 68 68 ALA N N 15 123.953 . . 1 . . . . 68 ALA N . 15882 1 250 . 1 1 69 69 ILE H H 1 7.990 . . 1 . . . . 69 ILE HN . 15882 1 251 . 1 1 69 69 ILE CA C 13 65.772 . . 1 . . . . 69 ILE CA . 15882 1 252 . 1 1 69 69 ILE CB C 13 38.694 . . 1 . . . . 69 ILE CB . 15882 1 253 . 1 1 69 69 ILE N N 15 116.662 . . 1 . . . . 69 ILE N . 15882 1 254 . 1 1 70 70 LYS H H 1 6.815 . . 1 . . . . 70 LYS HN . 15882 1 255 . 1 1 70 70 LYS CA C 13 59.396 . . 1 . . . . 70 LYS CA . 15882 1 256 . 1 1 70 70 LYS CB C 13 32.551 . . 1 . . . . 70 LYS CB . 15882 1 257 . 1 1 70 70 LYS N N 15 116.660 . . 1 . . . . 70 LYS N . 15882 1 258 . 1 1 71 71 ALA H H 1 7.276 . . 1 . . . . 71 ALA HN . 15882 1 259 . 1 1 71 71 ALA CA C 13 54.197 . . 1 . . . . 71 ALA CA . 15882 1 260 . 1 1 71 71 ALA CB C 13 18.850 . . 1 . . . . 71 ALA CB . 15882 1 261 . 1 1 71 71 ALA N N 15 121.339 . . 1 . . . . 71 ALA N . 15882 1 262 . 1 1 72 72 VAL H H 1 7.703 . . 1 . . . . 72 VAL HN . 15882 1 263 . 1 1 72 72 VAL CA C 13 67.162 . . 1 . . . . 72 VAL CA . 15882 1 264 . 1 1 72 72 VAL CB C 13 30.956 . . 1 . . . . 72 VAL CB . 15882 1 265 . 1 1 72 72 VAL N N 15 117.615 . . 1 . . . . 72 VAL N . 15882 1 266 . 1 1 73 73 VAL H H 1 7.545 . . 1 . . . . 73 VAL HN . 15882 1 267 . 1 1 73 73 VAL CA C 13 65.430 . . 1 . . . . 73 VAL CA . 15882 1 268 . 1 1 73 73 VAL CB C 13 31.333 . . 1 . . . . 73 VAL CB . 15882 1 269 . 1 1 73 73 VAL N N 15 116.387 . . 1 . . . . 73 VAL N . 15882 1 270 . 1 1 74 74 ASP H H 1 7.396 . . 1 . . . . 74 ASP HN . 15882 1 271 . 1 1 74 74 ASP CA C 13 56.514 . . 1 . . . . 74 ASP CA . 15882 1 272 . 1 1 74 74 ASP CB C 13 43.123 . . 1 . . . . 74 ASP CB . 15882 1 273 . 1 1 74 74 ASP N N 15 117.114 . . 1 . . . . 74 ASP N . 15882 1 274 . 1 1 75 75 LEU H H 1 8.097 . . 1 . . . . 75 LEU HN . 15882 1 275 . 1 1 75 75 LEU CA C 13 56.061 . . 1 . . . . 75 LEU CA . 15882 1 276 . 1 1 75 75 LEU CB C 13 43.201 . . 1 . . . . 75 LEU CB . 15882 1 277 . 1 1 75 75 LEU N N 15 115.155 . . 1 . . . . 75 LEU N . 15882 1 278 . 1 1 76 76 ASN H H 1 7.529 . . 1 . . . . 76 ASN HN . 15882 1 279 . 1 1 76 76 ASN CA C 13 56.201 . . 1 . . . . 76 ASN CA . 15882 1 280 . 1 1 76 76 ASN CB C 13 38.120 . . 1 . . . . 76 ASN CB . 15882 1 281 . 1 1 76 76 ASN N N 15 114.635 . . 1 . . . . 76 ASN N . 15882 1 282 . 1 1 77 77 GLY H H 1 8.839 . . 1 . . . . 77 GLY HN . 15882 1 283 . 1 1 77 77 GLY CA C 13 49.064 . . 1 . . . . 77 GLY CA . 15882 1 284 . 1 1 77 77 GLY N N 15 116.793 . . 1 . . . . 77 GLY N . 15882 1 285 . 1 1 78 78 ARG H H 1 7.578 . . 1 . . . . 78 ARG HN . 15882 1 286 . 1 1 78 78 ARG CA C 13 52.306 . . 1 . . . . 78 ARG CA . 15882 1 287 . 1 1 78 78 ARG CB C 13 31.346 . . 1 . . . . 78 ARG CB . 15882 1 288 . 1 1 78 78 ARG N N 15 119.387 . . 1 . . . . 78 ARG N . 15882 1 289 . 1 1 79 79 TYR H H 1 8.018 . . 1 . . . . 79 TYR HN . 15882 1 290 . 1 1 79 79 TYR CA C 13 57.734 . . 1 . . . . 79 TYR CA . 15882 1 291 . 1 1 79 79 TYR CB C 13 38.830 . . 1 . . . . 79 TYR CB . 15882 1 292 . 1 1 79 79 TYR N N 15 122.484 . . 1 . . . . 79 TYR N . 15882 1 293 . 1 1 80 80 PHE H H 1 9.168 . . 1 . . . . 80 PHE HN . 15882 1 294 . 1 1 80 80 PHE CA C 13 57.342 . . 1 . . . . 80 PHE CA . 15882 1 295 . 1 1 80 80 PHE CB C 13 38.465 . . 1 . . . . 80 PHE CB . 15882 1 296 . 1 1 80 80 PHE N N 15 126.268 . . 1 . . . . 80 PHE N . 15882 1 297 . 1 1 81 81 GLY H H 1 8.685 . . 1 . . . . 81 GLY HN . 15882 1 298 . 1 1 81 81 GLY CA C 13 46.919 . . 1 . . . . 81 GLY CA . 15882 1 299 . 1 1 81 81 GLY N N 15 116.857 . . 1 . . . . 81 GLY N . 15882 1 300 . 1 1 82 82 GLY H H 1 7.772 . . 1 . . . . 82 GLY HN . 15882 1 301 . 1 1 82 82 GLY CA C 13 44.655 . . 1 . . . . 82 GLY CA . 15882 1 302 . 1 1 82 82 GLY N N 15 106.074 . . 1 . . . . 82 GLY N . 15882 1 303 . 1 1 83 83 ARG H H 1 7.411 . . 1 . . . . 83 ARG HN . 15882 1 304 . 1 1 83 83 ARG CA C 13 55.039 . . 1 . . . . 83 ARG CA . 15882 1 305 . 1 1 83 83 ARG CB C 13 32.703 . . 1 . . . . 83 ARG CB . 15882 1 306 . 1 1 83 83 ARG N N 15 121.066 . . 1 . . . . 83 ARG N . 15882 1 307 . 1 1 84 84 VAL H H 1 7.841 . . 1 . . . . 84 VAL HN . 15882 1 308 . 1 1 84 84 VAL CA C 13 61.849 . . 1 . . . . 84 VAL CA . 15882 1 309 . 1 1 84 84 VAL CB C 13 30.835 . . 1 . . . . 84 VAL CB . 15882 1 310 . 1 1 84 84 VAL N N 15 120.601 . . 1 . . . . 84 VAL N . 15882 1 311 . 1 1 85 85 VAL H H 1 8.637 . . 1 . . . . 85 VAL HN . 15882 1 312 . 1 1 85 85 VAL CA C 13 63.599 . . 1 . . . . 85 VAL CA . 15882 1 313 . 1 1 85 85 VAL CB C 13 32.106 . . 1 . . . . 85 VAL CB . 15882 1 314 . 1 1 85 85 VAL N N 15 131.761 . . 1 . . . . 85 VAL N . 15882 1 315 . 1 1 86 86 LYS H H 1 8.033 . . 1 . . . . 86 LYS HN . 15882 1 316 . 1 1 86 86 LYS CA C 13 54.132 . . 1 . . . . 86 LYS CA . 15882 1 317 . 1 1 86 86 LYS CB C 13 28.524 . . 1 . . . . 86 LYS CB . 15882 1 318 . 1 1 86 86 LYS N N 15 124.800 . . 1 . . . . 86 LYS N . 15882 1 319 . 1 1 87 87 ALA H H 1 8.982 . . 1 . . . . 87 ALA HN . 15882 1 320 . 1 1 87 87 ALA CA C 13 49.575 . . 1 . . . . 87 ALA CA . 15882 1 321 . 1 1 87 87 ALA CB C 13 29.097 . . 1 . . . . 87 ALA CB . 15882 1 322 . 1 1 87 87 ALA N N 15 129.479 . . 1 . . . . 87 ALA N . 15882 1 323 . 1 1 88 88 CYS H H 1 8.474 . . 1 . . . . 88 CYS HN . 15882 1 324 . 1 1 88 88 CYS CA C 13 55.624 . . 1 . . . . 88 CYS CA . 15882 1 325 . 1 1 88 88 CYS CB C 13 30.267 . . 1 . . . . 88 CYS CB . 15882 1 326 . 1 1 88 88 CYS N N 15 117.406 . . 1 . . . . 88 CYS N . 15882 1 327 . 1 1 89 89 PHE H H 1 7.853 . . 1 . . . . 89 PHE HN . 15882 1 328 . 1 1 89 89 PHE CA C 13 57.497 . . 1 . . . . 89 PHE CA . 15882 1 329 . 1 1 89 89 PHE CB C 13 40.511 . . 1 . . . . 89 PHE CB . 15882 1 330 . 1 1 89 89 PHE N N 15 118.348 . . 1 . . . . 89 PHE N . 15882 1 331 . 1 1 90 90 TYR H H 1 8.267 . . 1 . . . . 90 TYR HN . 15882 1 332 . 1 1 90 90 TYR CA C 13 56.899 . . 1 . . . . 90 TYR CA . 15882 1 333 . 1 1 90 90 TYR CB C 13 43.583 . . 1 . . . . 90 TYR CB . 15882 1 334 . 1 1 90 90 TYR N N 15 119.802 . . 1 . . . . 90 TYR N . 15882 1 335 . 1 1 91 91 ASN H H 1 6.890 . . 1 . . . . 91 ASN HN . 15882 1 336 . 1 1 91 91 ASN CA C 13 55.596 . . 1 . . . . 91 ASN CA . 15882 1 337 . 1 1 91 91 ASN CB C 13 40.114 . . 1 . . . . 91 ASN CB . 15882 1 338 . 1 1 91 91 ASN N N 15 125.120 . . 1 . . . . 91 ASN N . 15882 1 339 . 1 1 92 92 LEU H H 1 8.542 . . 1 . . . . 92 LEU HN . 15882 1 340 . 1 1 92 92 LEU CA C 13 58.399 . . 1 . . . . 92 LEU CA . 15882 1 341 . 1 1 92 92 LEU CB C 13 42.588 . . 1 . . . . 92 LEU CB . 15882 1 342 . 1 1 92 92 LEU N N 15 129.424 . . 1 . . . . 92 LEU N . 15882 1 343 . 1 1 93 93 ASP H H 1 7.609 . . 1 . . . . 93 ASP HN . 15882 1 344 . 1 1 93 93 ASP CA C 13 57.842 . . 1 . . . . 93 ASP CA . 15882 1 345 . 1 1 93 93 ASP CB C 13 39.614 . . 1 . . . . 93 ASP CB . 15882 1 346 . 1 1 93 93 ASP N N 15 118.976 . . 1 . . . . 93 ASP N . 15882 1 347 . 1 1 94 94 LYS H H 1 8.085 . . 1 . . . . 94 LYS HN . 15882 1 348 . 1 1 94 94 LYS CA C 13 58.093 . . 1 . . . . 94 LYS CA . 15882 1 349 . 1 1 94 94 LYS CB C 13 31.663 . . 1 . . . . 94 LYS CB . 15882 1 350 . 1 1 94 94 LYS N N 15 118.088 . . 1 . . . . 94 LYS N . 15882 1 351 . 1 1 95 95 PHE H H 1 8.094 . . 1 . . . . 95 PHE HN . 15882 1 352 . 1 1 95 95 PHE CA C 13 61.486 . . 1 . . . . 95 PHE CA . 15882 1 353 . 1 1 95 95 PHE CB C 13 39.902 . . 1 . . . . 95 PHE CB . 15882 1 354 . 1 1 95 95 PHE N N 15 119.818 . . 1 . . . . 95 PHE N . 15882 1 355 . 1 1 96 96 ARG H H 1 8.465 . . 1 . . . . 96 ARG HN . 15882 1 356 . 1 1 96 96 ARG CA C 13 58.855 . . 1 . . . . 96 ARG CA . 15882 1 357 . 1 1 96 96 ARG CB C 13 29.827 . . 1 . . . . 96 ARG CB . 15882 1 358 . 1 1 96 96 ARG N N 15 118.960 . . 1 . . . . 96 ARG N . 15882 1 359 . 1 1 97 97 VAL H H 1 6.858 . . 1 . . . . 97 VAL HN . 15882 1 360 . 1 1 97 97 VAL CA C 13 60.201 . . 1 . . . . 97 VAL CA . 15882 1 361 . 1 1 97 97 VAL CB C 13 30.521 . . 1 . . . . 97 VAL CB . 15882 1 362 . 1 1 97 97 VAL N N 15 109.475 . . 1 . . . . 97 VAL N . 15882 1 363 . 1 1 98 98 LEU H H 1 7.483 . . 1 . . . . 98 LEU HN . 15882 1 364 . 1 1 98 98 LEU CA C 13 55.729 . . 1 . . . . 98 LEU CA . 15882 1 365 . 1 1 98 98 LEU CB C 13 38.052 . . 1 . . . . 98 LEU CB . 15882 1 366 . 1 1 98 98 LEU N N 15 118.080 . . 1 . . . . 98 LEU N . 15882 1 367 . 1 1 99 99 ASP H H 1 8.000 . . 1 . . . . 99 ASP HN . 15882 1 368 . 1 1 99 99 ASP CA C 13 52.404 . . 1 . . . . 99 ASP CA . 15882 1 369 . 1 1 99 99 ASP CB C 13 19.488 . . 1 . . . . 99 ASP CB . 15882 1 370 . 1 1 99 99 ASP N N 15 119.535 . . 1 . . . . 99 ASP N . 15882 1 371 . 1 1 100 100 LEU CA C 13 54.681 . . 1 . . . . 100 LEU CA . 15882 1 372 . 1 1 100 100 LEU CB C 13 39.165 . . 1 . . . . 100 LEU CB . 15882 1 373 . 1 1 101 101 ALA H H 1 7.820 . . 1 . . . . 101 ALA HN . 15882 1 374 . 1 1 101 101 ALA CA C 13 51.074 . . 1 . . . . 101 ALA CA . 15882 1 375 . 1 1 101 101 ALA CB C 13 19.527 . . 1 . . . . 101 ALA CB . 15882 1 376 . 1 1 101 101 ALA N N 15 121.443 . . 1 . . . . 101 ALA N . 15882 1 377 . 1 1 102 102 GLU H H 1 7.084 . . 1 . . . . 102 GLU HN . 15882 1 378 . 1 1 102 102 GLU CA C 13 56.525 . . 1 . . . . 102 GLU CA . 15882 1 379 . 1 1 102 102 GLU CB C 13 29.677 . . 1 . . . . 102 GLU CB . 15882 1 380 . 1 1 102 102 GLU N N 15 117.589 . . 1 . . . . 102 GLU N . 15882 1 381 . 1 1 103 103 GLN H H 1 8.691 . . 1 . . . . 103 GLN HN . 15882 1 382 . 1 1 103 103 GLN CA C 13 56.543 . . 1 . . . . 103 GLN CA . 15882 1 383 . 1 1 103 103 GLN CB C 13 28.808 . . 1 . . . . 103 GLN CB . 15882 1 384 . 1 1 103 103 GLN N N 15 122.956 . . 1 . . . . 103 GLN N . 15882 1 385 . 1 1 104 104 VAL H H 1 7.583 . . 1 . . . . 104 VAL HN . 15882 1 386 . 1 1 104 104 VAL CA C 13 62.446 . . 1 . . . . 104 VAL CA . 15882 1 387 . 1 1 104 104 VAL CB C 13 33.590 . . 1 . . . . 104 VAL CB . 15882 1 388 . 1 1 104 104 VAL N N 15 123.687 . . 1 . . . . 104 VAL N . 15882 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 15882 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '3D HNCA' _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; save_spectral_peak_list_hncagrs _Saveframe_category spectral_peak_list _Details ' @' _Software_label @ _Experiment_label @ _Number_of_spectral_dimensions @ _Sample_label @ _Sample_conditions_label @ _Text_data_format @ _Text_data ' @ ' _Peaklist_dataset hncagrs.nv _Peaklist_scale 1.000000 _Peaklist_dataset hncagrs.nv _Peaklist_scale 1.000000 _Peaklist_dataset hncagrs.nv _Peaklist_scale 1.000000 _Peaklist_dataset hncagrs.nv _Peaklist_scale 1.000000 _Peaklist_dataset hncagrs.nv _Peaklist_scale 1.000000 _Peaklist_dataset hncagrs.nv _Peaklist_scale 1.000000 loop_ _Peaklist_label _Peaklist_dim _Peaklist_sw _Peaklist_sf _Peaklist_precision _Peaklist_pattern _Peaklist_relation _Peaklist_idtol 1H 0 2507.39 500.1310 5 . . 0.0500 15N 1 1572.33 50.6778 5 . . 0.0500 13C 2 5000.00 125.7580 5 . . 0.0500 stop_ loop_ _Peak_list_number _Intensity_height _Intensity_volume _Intensity_volume2 _Peak_status _flag _comment _Dim_1_label _Dim_1_chem_shift _Dim_1_line_width _Dim_1_bounds _Dim_1_error _Dim_1_j _Dim_1_link0 _Dim_1_link1 _Dim_1_thread _Dim_1_user _Dim_2_label _Dim_2_chem_shift _Dim_2_line_width _Dim_2_bounds _Dim_2_error _Dim_2_j _Dim_2_link0 _Dim_2_link1 _Dim_2_thread _Dim_2_user _Dim_3_label _Dim_3_chem_shift _Dim_3_line_width _Dim_3_bounds _Dim_3_error _Dim_3_j _Dim_3_link0 _Dim_3_link1 _Dim_3_thread _Dim_3_user 0 0.496 0.000 0.000 -1 2 {?} {?} 7.27400017 0.01500000 0.01100000 { ?} 0.00000000 0 0 190 {?} {?} 120.28199768 0.23400000 0.17800000 {++} 0.00000000 0 0 0 {?} {?} 77.39399719 1.55299997 3.44899988 { ?} 0.00000000 0 0 0 {?} 1 -0.310 0.000 0.000 -1 2 {?} {?} 7.97800016 0.01400000 0.00000000 { ?} 0.00000000 0 0 191 {?} {?} 112.26999664 0.24400000 0.00500000 { ?} 0.00000000 0 0 0 {?} {?} 77.39399719 0.03600000 0.03600000 { ?} 0.00000000 0 0 0 {?} 2 0.937 0.000 0.000 -1 2 {?} {?} 7.27500010 0.04400000 0.05500000 {++} 0.00000000 0 0 0 {?} {?} 115.84300232 0.36800000 0.55100000 {++} 0.00000000 0 0 0 {?} {?} 76.70700073 1.55299997 1.55299997 { ?} 0.00000000 0 0 0 {?} 3 0.489 0.000 0.000 -1 2 {?} {?} 7.11100006 0.04600000 0.03400000 {++} 0.00000000 0 0 0 {?} {?} 116.59500122 0.72600001 0.72700000 { ?} 0.00000000 0 0 0 {?} {?} 76.73600006 1.15100002 1.15100002 { ?} 0.00000000 0 0 0 {?} 4 1.152 0.000 0.000 -1 2 {?} {?} 7.11299992 0.04400000 0.06000000 {++} 0.00000000 0 0 0 {?} {?} 116.08999634 0.39199999 0.72000003 { ?} 0.00000000 0 0 0 {?} {?} 76.77200317 1.11699998 1.55299997 { ?} 0.00000000 0 0 0 {?} 5 -0.622 0.000 0.000 -1 2 {?} {?} 7.27299976 0.04400000 0.04400000 {++} 0.00000000 0 0 0 {?} {?} 115.33399963 0.10500000 0.10600000 { ?} 0.00000000 0 0 0 {?} {?} 76.83499908 1.11099994 1.12000000 { ?} 0.00000000 0 0 0 {?} 6 -0.687 0.000 0.000 -1 2 {?} {?} 7.11100006 0.02900000 0.03500000 {++} 0.00000000 0 0 0 {?} {?} 115.45700073 0.44900000 0.51499999 {++} 0.00000000 0 0 0 {?} {?} 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53.78699875 0.39399999 0.46799999 {+E} 0.00000000 0 0 0 {?} 284 0.302 0.000 0.000 0 2 {?} {?} 8.23799992 0.03900000 0.10300000 { ?} 0.00000000 b:hncagrs.283.1 a:CBcaconh.131.1 112 {?} {?} 124.40699768 0.40700001 0.40700001 { ?} 0.00000000 b:hncagrs.283.2 a:CBcaconh.131.2 0 {?} {?} 53.78699875 0.39399999 0.46799999 {+E} 0.00000000 0 0 0 {?} 285 0.185 0.000 0.000 0 2 {?} {?} 8.26099968 0.03900000 0.05600000 {++} 0.00000000 b:hncagrs.232.1 0 78 {?} {?} 110.59100342 0.48100001 0.48100001 {+E} 0.00000000 b:hncagrs.232.2 0 0 {?} {?} 56.05400085 0.32100001 0.48500001 {++} 0.00000000 0 0 0 {?} 286 0.254 0.000 0.000 0 2 {?} {?} 7.98799992 0.04700000 0.07400000 { ?} 0.00000000 0 a:hncagrs.111.1 108 {?} {?} 119.80200195 0.39300001 0.39300001 { ?} 0.00000000 0 a:hncagrs.111.2 0 {?} {?} 59.34000015 0.57300001 1.55299997 { ?} 0.00000000 0 0 0 {?} 287 0.759 0.000 0.000 0 2 {?} {39.hn} 7.97399998 0.04200000 0.11800000 {++} 0.00000000 b:CAcbconh.64.1 a:hncagrs.135.1 59 {?} {39.n} 121.98300171 0.45400000 0.45400000 { ?} 0.00000000 b:CAcbconh.64.2 a:hncagrs.135.2 0 {?} {39.ca} 61.87099838 0.46100000 1.07599998 {++} 0.00000000 0 0 0 {?} 288 0.816 0.000 0.000 0 2 {?} {15.hn} 8.19900036 0.04700000 0.08800000 {++} 0.00000000 b:hncagrs.101.1 0 12 {?} {15.n} 115.19599915 0.42500001 0.42500001 { ?} 0.00000000 b:hncagrs.101.2 0 0 {?} {14.ca} 53.17200089 0.31099999 1.07000005 { ?} 0.00000000 0 0 0 {?} 289 1.995 0.000 0.000 0 2 {?} {90.hn} 8.26700020 0.05100000 0.18900000 { ?} 0.00000000 b:CBcaconh.35.1 0 33 {?} {90.n} 119.80200195 0.46000001 0.46000001 { ?} 0.00000000 b:CBcaconh.35.2 0 0 {?} {90.ca} 56.89899826 0.47200000 1.08399999 {++} 0.00000000 0 0 0 {?} 290 0.280 0.000 0.000 -1 2 {?} {?} 7.75799990 0.01400000 0.01800000 {++} 0.00000000 0 0 0 {?} {?} 118.10500336 0.31000000 0.31000000 { ?} 0.00000000 0 0 0 {?} {?} 38.56999969 0.29600000 0.37799999 {++} 0.00000000 0 0 0 {?} 291 4.148 0.000 0.000 0 2 {?} {35.hn} 7.11299992 0.02900000 0.02900000 {+E} 0.00000000 b:CAcbconh.55.1 a:hncagrs.300.1 94 {?} {35.n} 116.89299774 0.48199999 0.48199999 {+E} 0.00000000 0 0 0 {?} {35.ca} 57.82500076 0.61699998 0.61699998 { ?} 0.00000000 0 0 0 {?} 292 0.128 0.000 0.000 0 2 {?} {?} 7.96199989 0.03500000 0.03700000 {++} 0.00000000 b:hncagrs.34.1 0 109 {?} {?} 122.95300293 0.26600000 0.26600000 { ?} 0.00000000 b:hncagrs.34.2 0 0 {?} {?} 56.11700058 0.31099999 0.31099999 { ?} 0.00000000 0 0 0 {?} 293 0.201 0.000 0.000 0 2 {?} {?} 8.10299969 0.03900000 0.05000000 {++} 0.00000000 b:hncagrs.85.1 0 16 {?} {?} 115.92400360 0.34500000 0.34500000 { ?} 0.00000000 b:hncagrs.85.2 0 0 {?} {?} 45.03799820 0.35400000 0.50400001 {++} 0.00000000 0 0 0 {?} 294 0.202 0.000 0.000 0 2 {?} {?} 7.27400017 0.02300000 0.02300000 {+E} 0.00000000 0 a:hncagrs.295.1 221 {?} {?} 124.65000153 0.42399999 0.42399999 { ?} 0.00000000 0 a:hncagrs.295.2 0 {?} {?} 43.22600174 0.54400003 0.54400003 { ?} 0.00000000 0 0 0 {?} 295 0.298 0.000 0.000 -1 2 {?} {?} 7.27400017 0.02300000 0.02300000 {+E} 0.00000000 b:hncagrs.294.1 a:hncagrs.206.1 221 {?} {?} 124.65000153 0.47999999 0.47999999 {+E} 0.00000000 b:hncagrs.294.2 a:hncagrs.206.2 0 {?} {?} 76.15100098 0.56300002 0.56300002 { ?} 0.00000000 0 0 0 {?} 296 0.117 0.000 0.000 0 2 {?} {?} 8.37300014 0.02000000 0.02000000 {+E} 0.00000000 b:hncagrs.230.1 0 2 {?} {?} 111.56099701 0.48300001 0.48300001 {+E} 0.00000000 b:hncagrs.230.2 0 0 {?} {?} 58.44599915 0.47400001 0.47400001 { ?} 0.00000000 0 0 0 {?} 297 0.147 0.000 0.000 0 2 {?} {?} 8.29399967 0.03200000 0.04000000 {++} 0.00000000 b:CBcaconh.3.1 a:hncagrs.231.1 3 {?} {?} 111.07599640 0.43500000 0.43500000 {+E} 0.00000000 b:CBcaconh.3.2 a:hncagrs.231.2 0 {?} {?} 58.48899841 0.32600001 0.39600000 {++} 0.00000000 0 0 0 {?} 298 0.134 0.000 0.000 0 2 {?} {19.hn} 8.25399971 0.05200000 0.05600000 {++} 0.00000000 b:CAcbconh.131.1 a:hncagrs.233.1 13 {?} {19.n} 107.92500305 0.36600000 0.36600000 {+E} 0.00000000 b:CAcbconh.131.2 a:hncagrs.233.2 0 {?} {18.ca} 52.60400009 0.33800000 0.38499999 {++} 0.00000000 0 0 0 {?} 299 0.210 0.000 0.000 0 2 {?} {?} 8.06700039 0.03400000 0.03600000 {++} 0.00000000 b:hncagrs.134.1 0 1 {?} {?} 124.40699768 0.25400001 0.25400001 { ?} 0.00000000 b:hncagrs.134.2 0 0 {?} {?} 61.95800018 0.41000000 0.43000001 {++} 0.00000000 0 0 0 {?} 300 0.177 0.000 0.000 -1 2 {?} {?} 7.11700010 0.03800000 0.05000000 {++} 0.00000000 b:hncagrs.291.1 0 94 {?} {?} 116.89299774 0.31700000 0.31700000 { ?} 0.00000000 0 0 0 {?} {?} 42.81399918 0.86299998 1.05900002 { ?} 0.00000000 0 0 0 {?} 301 0.288 0.000 0.000 1 2 {?} {?} 7.30299997 0.01500000 0.02000000 {+E} 0.00000000 0 a:hncagrs.196.1 219 {?} {?} 121.25599670 0.31700000 0.31700000 { ?} 0.00000000 0 a:hncagrs.196.2 0 {?} {?} 59.37799835 0.40599999 0.40599999 { ?} 0.00000000 0 0 0 {?} 302 0.178 0.000 0.000 0 2 {?} {?} 7.86999989 0.04300000 0.04800000 {++} 0.00000000 0 a:hncagrs.138.1 17 {?} {?} 120.28700256 0.29600000 0.29600000 { ?} 0.00000000 0 a:hncagrs.138.2 0 {?} {?} 45.10900116 0.36199999 0.44200000 {++} 0.00000000 0 0 0 {?} 303 -0.902 0.000 0.000 -1 2 {?} {?} 7.43800020 0.03200000 0.07700000 {++} 0.00000000 b:CBcaconh.102.1 0 89 {?} {?} 113.25700378 0.46399999 0.46399999 {+E} 0.00000000 b:CBcaconh.102.2 0 0 {?} {?} 73.54299927 0.27599999 0.31099999 { ?} 0.00000000 0 0 0 {?} 304 0.080 0.000 0.000 0 2 {?} {?} 7.43599987 0.02700000 0.02700000 {++} 0.00000000 b:CAcbconh.130.1 a:hncagrs.305.1 97 {?} {?} 110.34899902 0.21300000 0.21300000 {+E} 0.00000000 b:CAcbconh.130.2 a:hncagrs.305.2 0 {?} {?} 57.91600037 0.25400001 0.31099999 { ?} 0.00000000 0 0 0 {?} 305 0.291 0.000 0.000 0 2 {?} {?} 7.44199991 0.02600000 0.05100000 {++} 0.00000000 b:hncagrs.304.1 0 97 {?} {?} 110.34899902 0.40500000 0.40500000 { ?} 0.00000000 b:hncagrs.304.2 0 0 {?} {?} 45.03400040 0.30599999 0.51099998 {++} 0.00000000 0 0 0 {?} 306 0.209 0.000 0.000 -1 2 {?} {?} 8.37199974 0.02400000 0.02500000 {++} 0.00000000 0 a:hncagrs.205.1 220 {?} {?} 116.89299774 0.25999999 0.25999999 { ?} 0.00000000 0 a:hncagrs.205.2 0 {?} {?} 47.55599976 0.36700001 0.39300001 {++} 0.00000000 0 0 0 {?} 307 0.236 0.000 0.000 0 0 {?} {?} 8.04100037 0.03400000 0.04000000 {++} 0.00000000 0 0 0 {?} {?} 121.74099731 0.28799999 0.28799999 {E+} 0.00000000 0 0 0 {?} {?} 58.40399933 0.35699999 0.42399999 {++} 0.00000000 0 0 0 {?} 308 0.352 0.000 0.000 1 0 {?} {?} 7.77199984 0.02000000 0.02000000 {+E} 0.00000000 0 0 0 {?} {?} 119.07499695 0.34700000 0.34700000 {E+} 0.00000000 0 0 0 {?} {?} 58.44599915 0.44499999 0.44499999 {EP} 0.00000000 0 0 0 {?} 309 0.324 0.000 0.000 -1 0 {?} {?} 7.11000013 0.04500000 0.06500000 {++} 0.00000000 0 0 0 {?} {?} 116.89299774 0.47000000 0.47000000 {+E} 0.00000000 0 0 0 {?} {?} 78.01200104 0.31099999 1.55299997 {PP} 0.00000000 0 0 0 {?} 310 0.358 0.000 0.000 0 0 {?} {?} 7.11000013 0.04500000 0.06500000 {++} 0.00000000 0 0 0 {?} {?} 116.89299774 0.47000000 0.47000000 {+E} 0.00000000 0 0 0 {?} {?} 78.01200104 0.31099999 1.55299997 {PP} 0.00000000 0 0 0 {?} stop_ save_ ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 H 1 HN . 2507.39 . . . 15882 1 2 C 13 CA . 5000.00 . . . 15882 1 3 N 15 N . 1572.33 . . . 15882 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $NMRView . . 15882 1 stop_ save_ save_HNCACB _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode HNCACB _Spectral_peak_list.Entry_ID 15882 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '3D HNCACB' _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; save_spectral_peak_list_hncacb _Saveframe_category spectral_peak_list _Details ' @' _Software_label @ _Experiment_label @ _Number_of_spectral_dimensions @ _Sample_label @ _Sample_conditions_label @ _Text_data_format @ _Text_data ' @ ' _Peaklist_dataset hncacb.nv _Peaklist_scale 1.000000 _Peaklist_dataset hncacb.nv _Peaklist_scale 1.000000 _Peaklist_dataset hncacb.nv _Peaklist_scale 1.000000 _Peaklist_dataset hncacb.nv _Peaklist_scale 1.000000 _Peaklist_dataset hncacb.nv _Peaklist_scale 1.000000 _Peaklist_dataset hncacb.nv _Peaklist_scale 1.000000 loop_ _Peaklist_label _Peaklist_dim _Peaklist_sw _Peaklist_sf _Peaklist_precision _Peaklist_pattern _Peaklist_relation _Peaklist_idtol 1H 0 2507.39 500.1310 5 . . 0.0500 15N 1 1572.33 50.6778 5 . . 0.0500 13C 2 10000.00 125.7580 5 . . 0.0500 stop_ loop_ _Peak_list_number _Intensity_height _Intensity_volume _Intensity_volume2 _Peak_status _flag _comment _Dim_1_label _Dim_1_chem_shift _Dim_1_line_width _Dim_1_bounds _Dim_1_error _Dim_1_j _Dim_1_link0 _Dim_1_link1 _Dim_1_thread _Dim_1_user _Dim_2_label _Dim_2_chem_shift _Dim_2_line_width _Dim_2_bounds _Dim_2_error _Dim_2_j _Dim_2_link0 _Dim_2_link1 _Dim_2_thread _Dim_2_user _Dim_3_label _Dim_3_chem_shift _Dim_3_line_width _Dim_3_bounds _Dim_3_error _Dim_3_j _Dim_3_link0 _Dim_3_link1 _Dim_3_thread _Dim_3_user 0 -0.650 -0.650 0.000 0 2 {?} {7.hn} 6.41400003 0.01500000 0.01500000 {++} 0.00000000 b:hncacb.146.1 0 68 {?} {7.n} 115.19599915 0.37400001 0.12500000 {++} 0.00000000 b:hncacb.146.2 0 0 {?} {7.cb} 72.95200348 0.57800001 0.57800001 {++} 0.00000000 0 0 0 {?} 1 -0.737 0.000 0.000 0 2 {?} {67.hn} 6.77199984 0.02900000 0.02900000 {++} 0.00000000 b:CAcbconh.25.1 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a:hncacb.35.1 88 {?} {104.n} 124.16500092 0.44000000 0.44000000 { ?} 0.00000000 0 0 0 {?} {103.cb} 28.72900009 0.71200001 1.86399996 { ?} 0.00000000 0 0 0 {?} 129 -0.228 -0.228 0.000 0 2 {?} {?} 7.50500011 0.06300000 0.11500000 { ?} 0.00000000 b:hncacb.53.1 a:hncagrs.228.1 148 {?} {?} 122.22599792 0.38200000 0.38200000 { ?} 0.00000000 0 0 0 {?} {?} 26.76199913 0.60399997 1.86399996 { ?} 0.00000000 0 0 0 {?} 130 -0.262 0.000 0.000 0 2 {?} {76.hn} 7.51399994 0.03200000 0.07600000 {++} 0.00000000 0 a:hncacb.25.1 19 {?} {76.n} 114.71199799 0.43700001 0.43700001 {+E} 0.00000000 0 a:hncacb.25.2 0 {?} {75.cb} 43.08100128 0.82700002 1.86399996 { ?} 0.00000000 0 0 0 {?} 131 -0.309 0.000 0.000 0 2 {?} {98.hn} 7.43599987 0.04800000 0.08000000 {++} 0.00000000 b:hncagrs.65.1 a:hncacb.28.1 80 {?} {98.n} 118.10500336 0.40900001 0.40900001 { ?} 0.00000000 0 0 0 {?} {97.cb} 30.56599998 0.69800001 1.86399996 { ?} 0.00000000 0 0 0 {?} 132 -0.287 0.000 0.000 0 2 {?} {54.hn} 7.41400003 0.04900000 0.07600000 {++} 0.00000000 b:hncagrs.179.1 a:hncacb.42.1 40 {?} {54.n} 115.43900299 0.38900000 0.38900000 {+E} 0.00000000 0 0 0 {?} {53.cb} 39.42900085 0.81999999 1.86399996 { ?} 0.00000000 0 0 0 {?} 133 -0.257 0.000 0.000 0 2 {?} {74.hn} 7.36800003 0.03700000 0.06600000 {++} 0.00000000 b:hncagrs.25.1 a:hncacb.6.1 74 {?} {74.n} 117.13600159 0.39399999 0.39399999 { ?} 0.00000000 0 0 0 {?} {73.cb} 31.25699997 0.64399999 1.86399996 { ?} 0.00000000 0 0 0 {?} 134 -0.312 0.000 0.000 0 2 {?} {36.hn} 7.31899977 0.04000000 0.05600000 {++} 0.00000000 b:hncagrs.89.1 a:hncacb.26.1 81 {?} {36.n} 119.80200195 0.41000000 0.41000000 { ?} 0.00000000 0 0 0 {?} {35.cb} 30.85499954 0.74199998 1.86399996 { ?} 0.00000000 0 0 0 {?} 135 -0.386 -0.386 0.000 0 2 {?} {22.hn} 7.25400019 0.03300000 0.13200000 { ?} 0.00000000 b:hncacb.9.1 0 75 {?} {22.n} 127.31600189 0.42800000 0.42800000 { ?} 0.00000000 b:hncacb.9.2 0 0 {?} {21.cb} 31.33399963 0.80500001 1.86399996 { ?} 0.00000000 0 0 0 {?} 136 -0.303 0.000 0.000 0 2 {?} {71.hn} 7.26900005 0.04400000 0.19100000 { ?} 0.00000000 b:hncacb.77.1 a:hncagrs.68.1 61 {?} {71.n} 121.25599670 0.41100001 0.41100001 { ?} 0.00000000 b:hncacb.77.2 a:hncagrs.68.2 0 {?} {70.cb} 32.71799850 0.73699999 1.86399996 { ?} 0.00000000 0 0 0 {?} 137 -0.184 0.000 0.000 -1 2 {?} {?} 7.24399996 0.04300000 0.06600000 {++} 0.00000000 b:hncacb.65.1 a:hncagrs.225.1 157 {?} {?} 117.62000275 0.36600000 0.36600000 {+E} 0.00000000 0 0 0 {?} {?} 53.62099838 0.98600000 1.86399996 { ?} 0.00000000 0 0 0 {?} 138 -0.296 0.000 0.000 0 2 {?} {37.hn} 7.21299982 0.04000000 0.06700000 {++} 0.00000000 b:hncagrs.246.1 0 43 {?} {37.n} 106.71299744 0.45100001 0.45100001 {+E} 0.00000000 0 0 0 {?} {37.cb} 38.30699921 0.90899998 1.86399996 { ?} 0.00000000 0 0 0 {?} 139 -0.362 -0.362 0.000 1 2 {?} {35.hn} 7.12400007 0.03700000 0.06000000 {++} 0.00000000 0 a:hncacb.59.1 94 {?} {35.n} 117.13600159 0.41999999 0.41999999 { ?} 0.00000000 0 a:hncacb.59.2 0 {?} {34.cb} 28.37299919 0.63900000 1.10699999 { ?} 0.00000000 0 0 0 {?} 140 -0.142 0.000 0.000 -1 2 {?} {?} 7.13600016 0.02200000 0.03000000 {++} 0.00000000 b:hncacb.59.1 0 152 {?} {?} 117.13600159 0.43500000 0.43500000 {+E} 0.00000000 b:hncacb.59.2 0 0 {?} {?} 53.24700165 0.73500001 1.00800002 { ?} 0.00000000 0 0 0 {?} 141 -0.436 0.000 0.000 0 2 {?} {91.hn} 6.95699978 0.05700000 0.13200000 { ?} 0.00000000 b:hncacb.142.1 0 20 {?} {91.n} 125.13400269 0.43099999 0.43099999 { ?} 0.00000000 0 0 0 {?} {91.cb} 40.05799866 0.83999997 1.86399996 { ?} 0.00000000 0 0 0 {?} 142 -0.255 0.000 0.000 0 2 {?} {91.hn} 6.96400023 0.03900000 0.05800000 {++} 0.00000000 b:hncagrs.149.1 a:hncacb.141.1 20 {?} {91.n} 125.13400269 0.39300001 0.39300001 { ?} 0.00000000 0 0 0 {?} {90.cb} 43.78499985 0.79100001 1.86399996 { ?} 0.00000000 0 0 0 {?} 143 -0.236 0.000 0.000 0 2 {?} {55.hn} 6.83400011 0.03600000 0.05500000 {++} 0.00000000 b:hncacb.75.1 a:hncagrs.150.1 62 {?} {55.n} 120.04399872 0.39100000 0.39100000 { ?} 0.00000000 b:hncacb.75.2 a:hncagrs.150.2 0 {?} {54.cb} 32.53300095 1.05700004 1.86399996 { ?} 0.00000000 0 0 0 {?} 144 -0.316 0.000 0.000 0 2 {?} {70.hn} 6.77699995 0.04500000 0.07300000 {++} 0.00000000 b:hncagrs.69.1 a:hncacb.43.1 44 {?} {70.n} 116.65100098 0.40400001 0.41100001 { ?} 0.00000000 0 0 0 {?} {69.cb} 38.84999847 0.79500002 1.86399996 { ?} 0.00000000 0 0 0 {?} 145 -0.227 0.000 0.000 0 2 {?} {67.hn} 6.77600002 0.04400000 0.06500000 {++} 0.00000000 b:hncacb.1.1 a:hncagrs.59.1 95 {?} {67.n} 114.46900177 0.38699999 0.38699999 { ?} 0.00000000 b:hncacb.1.2 a:hncagrs.59.2 0 {?} {66.cb} 28.57699966 0.62099999 0.62099999 { ?} 0.00000000 0 0 0 {?} 146 -0.250 -0.250 0.000 0 2 {?} {7.hn} 6.40999985 0.04500000 0.06200000 {++} 0.00000000 0 a:hncacb.0.1 68 {?} {7.n} 115.19599915 0.39100000 0.39100000 { ?} 0.00000000 0 a:hncacb.0.2 0 {?} {6.cb} 31.97500038 0.91500002 1.86399996 { ?} 0.00000000 0 0 0 {?} 147 -0.158 0.000 0.000 0 2 {?} {68.hn} 6.40899992 0.04300000 0.07300000 { ?} 0.00000000 b:hncacb.76.1 a:CBcaconh.5.1 5 {?} {68.n} 123.92299652 0.44999999 0.44999999 {+E} 0.00000000 b:hncacb.76.2 a:CBcaconh.5.2 0 {?} {67.cb} 63.07300186 0.73799998 1.23699999 { ?} 0.00000000 0 0 0 {?} 148 -0.238 0.000 0.000 0 2 {?} {14.hn} 9.55799961 0.04400000 0.06600000 { ?} 0.00000000 b:hncagrs.175.1 a:hncacb.149.1 47 {?} {14.n} 117.86299896 0.28099999 0.28099999 { ?} 0.00000000 0 0 0 {?} {13.cb} 34.30400085 0.77399999 1.86399996 { ?} 0.00000000 0 0 0 {?} 149 -0.207 0.000 0.000 0 2 {?} {14.hn} 9.55799961 0.04400000 0.07000000 { ?} 0.00000000 b:hncacb.148.1 0 47 {?} {14.n} 117.86299896 0.37000000 0.37000000 { ?} 0.00000000 0 0 0 {?} {14.cb} 38.63700104 0.65799999 1.86399996 { ?} 0.00000000 0 0 0 {?} 150 -0.311 0.000 0.000 0 2 {?} {27.hn} 7.32299995 0.03500000 0.06600000 {++} 0.00000000 b:hncagrs.20.1 a:hncacb.49.1 90 {?} {27.n} 118.58999634 0.38900000 0.38900000 { ?} 0.00000000 0 0 0 {?} {27.cb} 29.55599976 0.79699999 1.86399996 { ?} 0.00000000 0 0 0 {?} 151 -0.273 0.000 0.000 0 2 {?} {26.hn} 8.53299999 0.04200000 0.10300000 { ?} 0.00000000 b:hncacb.62.1 0 9 {?} {26.n} 121.74099731 0.38200000 0.38200000 { ?} 0.00000000 b:hncacb.62.2 0 0 {?} {25.cb} 40.93899918 0.62099999 1.05299997 { ?} 0.00000000 0 0 0 {?} 152 -0.368 0.000 0.000 0 2 {?} {58.hn} 7.81300020 0.03500000 0.07300000 { ?} 0.00000000 b:CBcaconh.69.1 a:hncacb.18.1 60 {?} {58.n} 122.22599792 0.41200000 0.41200000 { ?} 0.00000000 0 0 0 {?} {57.cb} 32.49000168 0.62300003 1.86399996 { ?} 0.00000000 0 0 0 {?} 153 0.099 0.000 0.000 0 2 {?} {?} 8.30000019 0.06800000 0.06900000 {++} 0.00000000 0 a:hncacb.104.1 171 {?} {?} 120.28700256 0.25000000 0.25000000 { ?} 0.00000000 0 a:hncacb.104.2 0 {?} {?} 30.65999985 1.11800003 1.86399996 { ?} 0.00000000 0 0 0 {?} 154 -0.849 0.000 0.000 0 2 {?} {9.hn} 8.31999969 0.05400000 0.10300000 { ?} 0.00000000 b:hncagrs.57.1 0 57 {?} {9.n} 119.31700134 0.43000001 0.43000001 { ?} 0.00000000 0 0 0 {?} {9.cb} 31.87599945 0.80500001 1.86399996 { ?} 0.00000000 0 0 0 {?} 155 -0.408 0.000 0.000 0 2 {?} {28.hn} 8.23900032 0.07200000 0.07300000 { ?} 0.00000000 b:hncagrs.18.1 a:hncacb.63.1 72 {?} {28.n} 119.31700134 0.38200000 0.38200000 { ?} 0.00000000 0 0 0 {?} {27.cb} 32.02299881 0.80500001 1.86399996 { ?} 0.00000000 0 0 0 {?} 156 -0.287 0.000 0.000 0 2 {?} {89.hn} 7.83300018 0.03900000 0.04700000 {++} 0.00000000 b:hncacb.13.1 a:CBcaconh.9.1 8 {?} {89.n} 118.34799957 0.31600001 0.31600001 { ?} 0.00000000 b:hncacb.13.2 a:CBcaconh.9.2 0 {?} {88.cb} 30.10400009 0.68199998 0.88999999 {++} 0.00000000 0 0 0 {?} 157 -0.314 0.000 0.000 -1 2 {?} {?} 7.52199984 0.04400000 0.05500000 {++} 0.00000000 b:hncagrs.104.1 a:hncacb.71.1 96 {?} {?} 121.25599670 0.44000000 0.44000000 {+E} 0.00000000 0 0 0 {?} {?} 56.23199844 0.91200000 1.86399996 { ?} 0.00000000 0 0 0 {?} 158 -0.297 -0.297 0.000 0 2 {?} {102.hn} 7.14400005 0.04600000 0.06400000 {++} 0.00000000 0 a:hncacb.66.1 101 {?} {102.n} 118.58999634 0.37200001 0.37200001 { ?} 0.00000000 0 a:hncacb.66.2 0 {?} {101.cb} 19.52700043 0.99100000 1.86399996 { ?} 0.00000000 0 0 0 {?} 159 -0.299 -0.299 0.000 0 2 {?} {17.hn} 8.27299976 0.05300000 0.07500000 {++} 0.00000000 0 0 46 {?} {17.n} 108.89399719 0.40599999 0.40599999 {+E} 0.00000000 0 0 0 {?} {17.cb} 35.26200104 0.60799998 0.93300003 { ?} 0.00000000 0 0 0 {?} 160 -0.105 -0.105 0.000 -1 2 {?} {?} 8.06599998 0.01300000 0.01300000 {+E} 0.00000000 0 0 0 {?} {?} 118.10500336 0.26699999 0.26699999 {+E} 0.00000000 0 0 0 {?} {?} 54.93899918 0.42300001 0.42300001 { ?} 0.00000000 0 0 0 {?} 161 -0.335 0.000 0.000 0 2 {?} {86.hn} 8.02200031 0.01500000 0.02600000 {+E} 0.00000000 0 a:hncacb.162.1 66 {?} {86.n} 124.65000153 0.41400000 0.41400000 { ?} 0.00000000 0 a:hncacb.162.2 0 {?} {86.cb} 33.81700134 1.06099999 1.06099999 { ?} 0.00000000 0 0 0 {?} 162 -0.523 0.000 0.000 0 2 {?} {?} 8.02200031 0.01500000 0.02600000 {+E} 0.00000000 b:hncacb.161.1 a:hncacb.163.1 66 {?} {?} 124.65000153 0.41400000 0.41400000 { ?} 0.00000000 b:hncacb.161.2 a:hncacb.163.2 0 {?} {?} 33.81700134 1.06099999 1.06099999 { ?} 0.00000000 0 0 0 {?} 163 -0.686 0.000 0.000 0 2 {?} {?} 8.02200031 0.01500000 0.02600000 {+E} 0.00000000 b:hncacb.162.1 a:CAcbconh.7.1 66 {?} {?} 124.65000153 0.41400000 0.41400000 { ?} 0.00000000 b:hncacb.162.2 a:CAcbconh.7.2 0 {?} {?} 33.81700134 1.06099999 1.06099999 { ?} 0.00000000 0 0 0 {?} 164 -0.360 -0.360 0.000 0 2 {?} {59.hn} 9.36900043 0.05200000 0.13200000 {P+} 0.00000000 0 0 37 {?} {59.n} 125.37699890 0.34999999 0.34999999 {E+} 0.00000000 0 0 0 {?} {58.cb} 39.48400116 0.70599997 1.01900005 {+P} 0.00000000 0 0 0 {?} 165 0.166 0.000 0.000 -1 0 {?} {?} 7.71400023 0.03000000 0.24900000 {PE} 0.00000000 0 0 0 {?} {?} 119.55999756 0.33199999 0.37300000 {+E} 0.00000000 0 0 0 {?} {?} 52.91799927 0.71399999 1.86399996 {PP} 0.00000000 0 0 0 {?} 166 -0.229 -0.229 0.000 0 2 {?} {?} 7.67000008 0.01500000 0.01500000 {+E} 0.00000000 0 0 0 {?} {?} 119.55999756 0.27300000 0.27300000 {E+} 0.00000000 0 0 0 {?} {?} 18.28599930 0.62099999 0.62099999 {EP} 0.00000000 0 0 0 {?} stop_ save_ ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 H 1 HN . 2507.39 . . . 15882 2 2 N 15 N . 1572.33 . . . 15882 2 3 C 13 'CA CB' . 10000.00 . . . 15882 2 stop_ save_ save_CBCA(CO)NH _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode CBCA(CO)NH _Spectral_peak_list.Entry_ID 15882 _Spectral_peak_list.ID 3 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '3D CBCA(CO)NH' _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; save_spectral_peak_list_CBcaconh _Saveframe_category spectral_peak_list _Details ' @' _Software_label @ _Experiment_label @ _Number_of_spectral_dimensions @ _Sample_label @ _Sample_conditions_label @ _Text_data_format @ _Text_data ' @ ' _Peaklist_dataset cbcaconh.nv _Peaklist_scale 1.000000 _Peaklist_dataset cbcaconh.nv _Peaklist_scale 1.000000 _Peaklist_dataset cbcaconh.nv _Peaklist_scale 1.000000 _Peaklist_dataset cbcaconh.nv _Peaklist_scale 1.000000 _Peaklist_dataset cbcaconh.nv _Peaklist_scale 1.000000 _Peaklist_dataset cbcaconh.nv _Peaklist_scale 1.000000 loop_ _Peaklist_label _Peaklist_dim _Peaklist_sw _Peaklist_sf _Peaklist_precision _Peaklist_pattern _Peaklist_relation _Peaklist_idtol 1H 0 2507.39 500.1310 5 . . 0.0500 15N 1 1572.33 50.6778 5 . . 0.0500 13C 2 10000.00 125.7580 5 . . 0.0500 stop_ loop_ _Peak_list_number _Intensity_height _Intensity_volume _Intensity_volume2 _Peak_status _flag _comment _Dim_1_label _Dim_1_chem_shift _Dim_1_line_width _Dim_1_bounds _Dim_1_error _Dim_1_j _Dim_1_link0 _Dim_1_link1 _Dim_1_thread _Dim_1_user _Dim_2_label _Dim_2_chem_shift _Dim_2_line_width _Dim_2_bounds _Dim_2_error _Dim_2_j _Dim_2_link0 _Dim_2_link1 _Dim_2_thread _Dim_2_user _Dim_3_label _Dim_3_chem_shift _Dim_3_line_width _Dim_3_bounds _Dim_3_error _Dim_3_j _Dim_3_link0 _Dim_3_link1 _Dim_3_thread _Dim_3_user 0 1.085 1.085 0.000 0 2 {?} {8.hn} 8.05300045 0.04400000 0.04600000 {++} 0.00000000 b:hncacb.110.1 a:CAcbconh.33.1 0 {?} {8.n} 111.68299866 0.25700000 0.26899999 {++} 0.00000000 b:hncacb.110.2 a:CAcbconh.33.2 0 {?} {7.cb} 72.97899628 1.86399996 1.86399996 { ?} 0.00000000 0 0 0 {?} 1 0.821 0.000 0.000 1 2 {?} {?} 8.06599998 0.04000000 0.03300000 {++} 0.00000000 0 a:CBcaconh.7.1 1 {?} {?} 124.45500183 0.45699999 0.34000000 {++} 0.00000000 0 a:CBcaconh.7.2 0 {?} {?} 69.42700195 0.93599999 0.69599998 { ?} 0.00000000 0 0 0 {?} 2 0.808 0.000 0.000 0 2 {?} {?} 8.35700035 0.04400000 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0.00000000 b:CBcaconh.14.2 a:CAcbconh.96.2 0 {?} {18.cb} 18.89599991 0.62199998 0.57900000 {++} 0.00000000 0 0 0 {?} 118 3.229 0.000 0.000 0 2 {?} {72.hn} 7.69299984 0.04400000 0.08600000 {++} 0.00000000 b:hncacb.58.1 a:CAcbconh.83.1 104 {?} {72.n} 117.61299896 0.34000000 0.66000003 {++} 0.00000000 b:hncacb.58.2 a:CAcbconh.83.2 0 {?} {71.cb} 18.82799911 1.04900002 1.86399996 { ?} 0.00000000 0 0 0 {?} 119 3.093 0.000 0.000 0 2 {?} {19.hn} 8.85200024 0.04700000 0.08500000 {++} 0.00000000 0 a:CAcbconh.88.1 105 {?} {19.n} 109.46700287 0.26699999 0.44499999 {++} 0.00000000 0 0 0 {?} {18.cb} 18.30599976 1.18499994 1.86399996 { ?} 0.00000000 0 0 0 {?} 120 0.699 0.000 0.000 -1 2 {?} {?} 7.36199999 0.01300000 0.00700000 { ?} 0.00000000 0 a:CAcbconh.132.1 106 {?} {?} 129.25999451 0.19400001 0.10100000 { ?} 0.00000000 0 a:CAcbconh.132.2 0 {?} {?} 3.37599993 0.32499999 0.32499999 { ?} 0.00000000 0 0 0 {?} 121 0.248 0.000 0.000 0 2 {?} {?} 7.76800013 0.04000000 0.04700000 {++} 0.00000000 b:hncagrs.52.1 a:CAcbconh.1.1 107 {?} {?} 122.22599792 0.28900000 0.28900000 { ?} 0.00000000 b:hncagrs.52.2 a:CAcbconh.1.2 0 {?} {?} 21.22699928 0.70400000 1.86399996 { ?} 0.00000000 0 0 0 {?} 122 0.399 0.000 0.000 -1 2 {?} {?} 8.35799980 0.04300000 0.06800000 {++} 0.00000000 b:CBcaconh.2.1 a:CAcbconh.133.1 2 {?} {?} 111.31800079 0.37900001 0.37900001 {+E} 0.00000000 b:CBcaconh.2.2 a:CAcbconh.133.2 0 {?} {?} 58.88899994 0.69199997 1.03699994 { ?} 0.00000000 0 0 0 {?} 123 0.212 0.000 0.000 0 2 {?} {?} 8.02000046 0.04000000 0.04200000 {++} 0.00000000 b:CBcaconh.6.1 a:CAcbconh.12.1 6 {?} {?} 125.61900330 0.25700000 0.25700000 { ?} 0.00000000 b:CBcaconh.6.2 a:CAcbconh.12.2 0 {?} {?} 32.11399841 0.69000000 0.73199999 { ?} 0.00000000 0 0 0 {?} 124 0.471 0.000 0.000 0 2 {?} {?} 7.99800014 0.02700000 0.04700000 {++} 0.00000000 b:CAcbconh.17.1 0 108 {?} {?} 119.80200195 0.37700000 0.38200000 { ?} 0.00000000 b:CAcbconh.17.2 0 0 {?} {?} 32.70500183 0.58200002 0.91700000 { ?} 0.00000000 0 0 0 {?} 125 0.473 0.000 0.000 -1 2 {?} {?} 8.06599998 0.02300000 0.02300000 {+E} 0.00000000 b:CBcaconh.30.1 a:CAcbconh.119.1 29 {?} {?} 121.49900055 0.44200000 0.44200000 {+E} 0.00000000 b:CBcaconh.30.2 a:CAcbconh.119.2 0 {?} {?} 54.93899918 0.98000002 0.98000002 { ?} 0.00000000 0 0 0 {?} 126 0.416 0.000 0.000 -1 2 {?} {?} 8.16499996 0.03800000 0.06100000 {++} 0.00000000 b:CBcaconh.36.1 a:CAcbconh.121.1 34 {?} {?} 125.61900330 0.36800000 0.36800000 { ?} 0.00000000 b:CBcaconh.36.2 a:CAcbconh.121.2 0 {?} {?} 53.64699936 0.72000003 1.86399996 { ?} 0.00000000 0 0 0 {?} 127 0.424 0.000 0.000 0 2 {?} {?} 7.95200014 0.03500000 0.05200000 {++} 0.00000000 0 a:CAcbconh.138.1 109 {?} {?} 122.95300293 0.37000000 0.37000000 { ?} 0.00000000 0 a:CAcbconh.138.2 0 {?} {?} 32.76200104 0.67400002 1.02999997 { ?} 0.00000000 0 0 0 {?} 128 0.417 0.000 0.000 -1 2 {?} {?} 8.06599998 0.04000000 0.05400000 {++} 0.00000000 0 a:CBcaconh.129.1 110 {?} {?} 126.10399628 0.34299999 0.36800000 { ?} 0.00000000 0 a:CBcaconh.129.2 0 {?} {?} 62.24300003 0.79600000 1.86399996 { ?} 0.00000000 0 0 0 {?} 129 0.141 0.000 0.000 0 2 {?} {?} 8.06599998 0.02500000 0.02500000 {++} 0.00000000 b:CBcaconh.128.1 a:CAcbconh.139.1 110 {?} {?} 126.10399628 0.14200000 0.14200000 { ?} 0.00000000 b:CBcaconh.128.2 a:CAcbconh.139.2 0 {?} {?} 32.35699844 0.74199998 1.86399996 { ?} 0.00000000 0 0 0 {?} 130 0.430 0.000 0.000 0 2 {?} {?} 7.97300005 0.04100000 0.07200000 {++} 0.00000000 b:CAcbconh.141.1 a:hncagrs.162.1 111 {?} {?} 123.68000031 0.37200001 0.37200001 { ?} 0.00000000 b:CAcbconh.141.2 a:hncagrs.162.2 0 {?} {?} 41.90100098 0.88700002 1.86399996 { ?} 0.00000000 0 0 0 {?} 131 0.133 0.000 0.000 0 2 {?} {?} 8.24100018 0.01700000 0.01700000 {+E} 0.00000000 b:hncagrs.284.1 a:CAcbconh.142.1 112 {?} {?} 124.40699768 0.20800000 0.20800000 { ?} 0.00000000 b:hncagrs.284.2 a:CAcbconh.142.2 0 {?} {?} 32.57400131 0.53200001 0.53200001 { ?} 0.00000000 0 0 0 {?} 132 0.189 0.000 0.000 0 2 {?} {?} 6.69199991 0.03100000 0.04600000 {++} 0.00000000 0 a:CAcbconh.143.1 113 {?} {?} 113.50000000 0.36500001 0.36500001 { ?} 0.00000000 0 a:CAcbconh.143.2 0 {?} {?} 28.49600029 0.58600003 0.88300002 { ?} 0.00000000 0 0 0 {?} 133 0.204 0.000 0.000 -1 0 {?} {?} 7.59600019 0.02500000 0.02900000 {+E} 0.00000000 0 0 0 {?} {?} 118.10500336 0.29800001 0.34799999 {+E} 0.00000000 0 0 0 {?} {?} 59.90900040 0.72500002 0.72500002 {EP} 0.00000000 0 0 0 {?} 134 0.286 0.286 0.000 0 2 {?} {?} 8.05099964 0.02200000 0.02200000 {+E} 0.00000000 0 0 29 {?} {?} 121.74099731 0.35600001 0.38200000 {E+} 0.00000000 0 0 0 {?} {?} 29.46800041 0.97799999 0.97799999 {EP} 0.00000000 0 0 0 {?} 135 0.097 0.097 0.000 -1 2 {?} {?} 7.96299982 0.05700000 0.05600000 {++} 0.00000000 0 0 123 {?} {?} 120.77100372 0.23899999 0.23899999 {E+} 0.00000000 0 0 0 {?} {?} 29.46500015 0.74599999 0.73500001 {++} 0.00000000 0 0 0 {?} stop_ save_ save_spectral_peak_list_CAcbconh _Saveframe_category spectral_peak_list _Details ' @' _Software_label @ _Experiment_label @ _Number_of_spectral_dimensions @ _Sample_label @ _Sample_conditions_label @ _Text_data_format @ _Text_data ' @ ' _Peaklist_dataset cbcaconh.nv _Peaklist_scale 1.000000 _Peaklist_dataset cbcaconh.nv _Peaklist_scale 1.000000 _Peaklist_dataset cbcaconh.nv _Peaklist_scale 1.000000 _Peaklist_dataset cbcaconh.nv _Peaklist_scale 1.000000 _Peaklist_dataset cbcaconh.nv _Peaklist_scale 1.000000 _Peaklist_dataset cbcaconh.nv _Peaklist_scale 1.000000 loop_ _Peaklist_label _Peaklist_dim _Peaklist_sw _Peaklist_sf _Peaklist_precision _Peaklist_pattern _Peaklist_relation _Peaklist_idtol 1H 0 2507.39 500.1310 5 . . 0.0500 15N 1 1572.33 50.6778 5 . . 0.0500 13C 2 10000.00 125.7580 5 . . 0.0500 stop_ loop_ _Peak_list_number _Intensity_height _Intensity_volume _Intensity_volume2 _Peak_status _flag _comment _Dim_1_label _Dim_1_chem_shift _Dim_1_line_width _Dim_1_bounds _Dim_1_error _Dim_1_j _Dim_1_link0 _Dim_1_link1 _Dim_1_thread _Dim_1_user _Dim_2_label _Dim_2_chem_shift _Dim_2_line_width _Dim_2_bounds _Dim_2_error _Dim_2_j _Dim_2_link0 _Dim_2_link1 _Dim_2_thread _Dim_2_user _Dim_3_label _Dim_3_chem_shift _Dim_3_line_width _Dim_3_bounds _Dim_3_error _Dim_3_j _Dim_3_link0 _Dim_3_link1 _Dim_3_thread _Dim_3_user 0 0.821 0.000 0.000 -1 2 {?} {?} 8.06599998 0.04000000 0.03300000 {++} 0.00000000 b:CBcaconh.7.1 a:CAcbconh.16.1 75 {?} {?} 124.45500183 0.45699999 0.34000000 {++} 0.00000000 b:CBcaconh.7.2 a:CAcbconh.16.2 0 {?} {?} 69.42700195 0.93599999 0.69599998 { ?} 0.00000000 0 0 0 {?} 1 1.176 0.000 0.000 0 2 {?} {?} 7.77099991 0.04900000 0.05300000 {++} 0.00000000 b:CBcaconh.121.1 0 107 {?} {?} 122.17400360 0.27700001 0.31099999 {++} 0.00000000 b:CBcaconh.121.2 0 0 {?} {?} 67.46800232 0.86400002 0.97000003 { ?} 0.00000000 0 0 0 {?} 2 2.186 0.000 0.000 0 2 {?} {73.hn} 7.55399990 0.04400000 0.06300000 {++} 0.00000000 b:CBcaconh.91.1 a:hncagrs.24.1 79 {?} {73.n} 116.39099884 0.32600001 0.51999998 {++} 0.00000000 0 0 0 {?} {72.ca} 67.01799774 0.84700000 1.86399996 { ?} 0.00000000 0 0 0 {?} 3 2.331 0.000 0.000 0 2 {?} {28.hn} 8.21100044 0.04600000 0.06600000 {++} 0.00000000 b:CBcaconh.84.1 a:hncagrs.77.1 72 {?} {28.n} 118.91899872 0.25900000 0.40400001 {++} 0.00000000 0 0 0 {?} {27.ca} 65.98699951 0.90499997 1.86399996 { ?} 0.00000000 0 0 0 {?} 4 2.682 0.000 0.000 0 2 {?} {66.hn} 9.27600002 0.03900000 0.07700000 {++} 0.00000000 b:CBcaconh.80.1 a:hncacb.70.1 69 {?} {66.n} 118.82599640 0.35200000 0.63999999 {++} 0.00000000 b:CBcaconh.80.2 a:hncacb.70.2 0 {?} {65.ca} 65.54299927 1.12000000 1.86399996 { ?} 0.00000000 0 0 0 {?} 5 2.255 0.000 0.000 0 2 {?} {74.hn} 7.39799976 0.03600000 0.05500000 {++} 0.00000000 b:CBcaconh.86.1 a:hncagrs.121.1 74 {?} {74.n} 117.03199768 0.25000000 0.38499999 {++} 0.00000000 0 0 0 {?} {73.ca} 65.42099762 1.04100001 1.86399996 { ?} 0.00000000 0 0 0 {?} 6 2.211 0.000 0.000 0 2 {?} {70.hn} 6.82100010 0.04500000 0.06600000 {++} 0.00000000 b:CBcaconh.50.1 a:hncagrs.21.1 44 {?} {70.n} 116.65299988 0.35400000 0.59200001 {++} 0.00000000 0 0 0 {?} {69.ca} 65.68299866 0.88400000 1.86399996 { ?} 0.00000000 0 0 0 {?} 7 1.553 0.000 0.000 0 2 {?} {86.hn} 8.02700043 0.04400000 0.05800000 {++} 0.00000000 b:hncacb.163.1 a:CBcaconh.76.1 66 {?} {86.n} 124.75399780 0.25799999 0.34400001 {++} 0.00000000 b:hncacb.163.2 a:CBcaconh.76.2 0 {?} {85.ca} 63.53799820 0.98600000 1.86399996 { ?} 0.00000000 0 0 0 {?} 8 3.072 3.072 0.000 0 2 {?} {22.hn} 7.34899998 0.04400000 0.07200000 {++} 0.00000000 b:CBcaconh.87.1 a:hncagrs.195.1 75 {?} {22.n} 126.33699799 0.34200001 0.65799999 {++} 0.00000000 0 0 0 {?} {21.ca} 63.67599869 1.14400005 1.86399996 { ?} 0.00000000 0 0 0 {?} 9 3.306 0.000 0.000 0 2 {?} {49.hn} 8.53299999 0.04800000 0.08300000 {++} 0.00000000 b:CBcaconh.82.1 a:hncagrs.30.1 71 {?} {49.n} 112.03099823 0.32900000 0.65399998 {++} 0.00000000 b:CBcaconh.82.2 a:hncagrs.30.2 0 {?} {48.ca} 63.18500137 0.89200002 1.86399996 { ?} 0.00000000 0 0 0 {?} 10 1.880 0.000 0.000 0 2 {?} {?} 7.96099997 0.04100000 0.05600000 {++} 0.00000000 b:CBcaconh.77.1 a:hncagrs.31.1 67 {?} {?} 115.30300140 0.26699999 0.38800001 {++} 0.00000000 b:CBcaconh.77.2 a:hncagrs.31.2 0 {?} {?} 63.12200165 0.96399999 1.86399996 { ?} 0.00000000 0 0 0 {?} 11 3.079 0.000 0.000 0 2 {?} {52.hn} 8.58100033 0.04000000 0.06900000 {++} 0.00000000 b:CBcaconh.74.1 a:hncagrs.33.1 65 {?} {52.n} 121.27799988 0.31400001 0.58300000 {++} 0.00000000 b:CBcaconh.74.2 a:hncagrs.33.2 0 {?} {51.ca} 62.47399902 1.02400005 1.86399996 { ?} 0.00000000 0 0 0 {?} 12 0.604 0.000 0.000 0 2 {?} {?} 8.02000046 0.01400000 0.01400000 {++} 0.00000000 b:CBcaconh.123.1 a:CAcbconh.135.1 6 {?} {?} 125.64900208 0.15300000 0.09300000 { ?} 0.00000000 b:CBcaconh.123.2 a:CAcbconh.135.2 0 {?} {?} 62.28499985 0.52700001 0.25400001 {++} 0.00000000 0 0 0 {?} 13 1.716 0.000 0.000 0 2 {?} {7.hn} 6.46799994 0.05300000 0.07300000 {++} 0.00000000 b:CBcaconh.79.1 0 68 {?} {7.n} 115.53600311 0.26800001 0.37500000 {++} 0.00000000 b:CBcaconh.79.2 0 0 {?} {6.ca} 62.40599823 1.21800005 1.86399996 { ?} 0.00000000 0 0 0 {?} 14 1.203 0.000 0.000 0 2 {?} {57.hn} 9.18700027 0.04100000 0.04600000 {++} 0.00000000 b:CBcaconh.72.1 a:hncagrs.39.1 63 {?} {57.n} 130.66900635 0.28900000 0.33000001 {++} 0.00000000 0 0 0 {?} {56.ca} 61.99100113 0.89200002 1.01900005 { ?} 0.00000000 0 0 0 {?} 15 1.392 0.000 0.000 0 2 {?} {85.hn} 8.60200024 0.04100000 0.05300000 {++} 0.00000000 b:CBcaconh.89.1 a:hncagrs.44.1 77 {?} {85.n} 131.78399658 0.26199999 0.33000001 {++} 0.00000000 0 0 0 {?} {84.ca} 61.76900101 1.86399996 1.86399996 { ?} 0.00000000 0 0 0 {?} 16 0.826 0.000 0.000 0 2 {?} {?} 8.06599998 0.03900000 0.03200000 {++} 0.00000000 b:CAcbconh.0.1 a:hncagrs.134.1 1 {?} {?} 124.46399689 0.41299999 0.31000000 {++} 0.00000000 b:CAcbconh.0.2 a:hncagrs.134.2 0 {?} {?} 61.75600052 0.98699999 0.88900000 {++} 0.00000000 0 0 0 {?} 17 1.491 0.000 0.000 0 2 {?} {?} 7.99700022 0.03200000 0.04200000 {++} 0.00000000 b:hncagrs.46.1 a:CBcaconh.124.1 108 {?} {?} 119.85099792 0.28099999 0.36700001 {++} 0.00000000 b:hncagrs.46.2 a:CBcaconh.124.2 0 {?} {?} 61.79299927 1.19000006 1.86399996 { ?} 0.00000000 0 0 0 {?} 18 1.851 0.000 0.000 0 2 {?} {34.hn} 7.48799992 0.04200000 0.07300000 {++} 0.00000000 b:CBcaconh.109.1 a:hncagrs.37.1 96 {?} {34.n} 121.02700043 0.33700001 0.48699999 {++} 0.00000000 0 0 0 {?} {33.ca} 61.99599838 0.88700002 1.86399996 { ?} 0.00000000 0 0 0 {?} 19 1.673 0.000 0.000 0 2 {?} {44.hn} 8.69699955 0.05100000 0.06800000 {++} 0.00000000 b:CBcaconh.52.1 a:hncagrs.56.1 45 {?} {44.n} 127.20099640 0.25200000 0.34799999 {++} 0.00000000 0 0 0 {?} {43.ca} 60.94699860 0.90600002 1.86399996 { ?} 0.00000000 0 0 0 {?} 20 2.119 0.000 0.000 0 2 {?} {96.hn} 8.47599983 0.04600000 0.06700000 {++} 0.00000000 b:CBcaconh.38.1 0 35 {?} {96.n} 119.08200073 0.34500000 0.55500001 {++} 0.00000000 b:CBcaconh.38.2 0 0 {?} {95.ca} 61.34899902 0.90399998 1.86399996 { ?} 0.00000000 0 0 0 {?} 21 2.514 0.000 0.000 0 2 {?} {5.hn} 7.83400011 0.04000000 0.06200000 {++} 0.00000000 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8.35799980 0.04300000 0.06800000 {++} 0.00000000 b:CBcaconh.122.1 a:hncagrs.230.1 2 {?} {?} 111.31800079 0.37900001 0.37900001 {+E} 0.00000000 b:CBcaconh.122.2 a:hncagrs.230.2 0 {?} {?} 58.88899994 0.69199997 1.03699994 { ?} 0.00000000 0 0 0 {?} 134 0.359 0.000 0.000 0 2 {?} {?} 8.29100037 0.03000000 0.04800000 {++} 0.00000000 0 a:CBcaconh.3.1 3 {?} {?} 111.07599640 0.39199999 0.39199999 {+E} 0.00000000 0 a:CBcaconh.3.2 0 {?} {?} 58.79199982 0.67100000 1.05100000 { ?} 0.00000000 0 0 0 {?} 135 0.212 0.000 0.000 -1 2 {?} {?} 8.02000046 0.04000000 0.04200000 {++} 0.00000000 b:CAcbconh.12.1 a:hncagrs.41.1 6 {?} {?} 125.61900330 0.25700000 0.25700000 { ?} 0.00000000 b:CAcbconh.12.2 a:hncagrs.41.2 0 {?} {?} 32.11399841 0.69000000 0.73199999 { ?} 0.00000000 0 0 0 {?} 136 0.473 0.000 0.000 0 2 {?} {?} 8.06599998 0.02300000 0.02300000 {+E} 0.00000000 b:CAcbconh.119.1 a:hncagrs.125.1 29 {?} {?} 121.49900055 0.44200000 0.44200000 {+E} 0.00000000 b:CAcbconh.119.2 a:hncagrs.125.2 0 {?} {?} 54.93899918 0.98000002 0.98000002 { ?} 0.00000000 0 0 0 {?} 137 0.416 0.000 0.000 0 2 {?} {?} 8.16499996 0.03800000 0.06100000 {++} 0.00000000 b:CAcbconh.121.1 a:hncagrs.183.1 34 {?} {?} 125.61900330 0.36800000 0.36800000 { ?} 0.00000000 b:CAcbconh.121.2 a:hncagrs.183.2 0 {?} {?} 53.64699936 0.72000003 1.86399996 { ?} 0.00000000 0 0 0 {?} 138 0.492 0.000 0.000 0 2 {?} {?} 7.95300007 0.03000000 0.04600000 {++} 0.00000000 b:CBcaconh.127.1 a:hncagrs.34.1 109 {?} {?} 122.95300293 0.38600001 0.38600001 { ?} 0.00000000 b:CBcaconh.127.2 a:hncagrs.34.2 0 {?} {?} 56.42300034 0.59799999 0.95400000 { ?} 0.00000000 0 0 0 {?} 139 0.417 0.000 0.000 0 2 {?} {?} 8.06599998 0.04000000 0.05400000 {++} 0.00000000 b:CBcaconh.129.1 a:CAcbconh.140.1 110 {?} {?} 126.10399628 0.34299999 0.36800000 { ?} 0.00000000 b:CBcaconh.129.2 a:CAcbconh.140.2 0 {?} {?} 62.24300003 0.79600000 1.86399996 { ?} 0.00000000 0 0 0 {?} 140 0.141 0.000 0.000 -1 2 {?} {?} 8.06599998 0.02500000 0.02500000 {++} 0.00000000 b:CAcbconh.139.1 a:hncagrs.40.1 110 {?} {?} 126.10399628 0.14200000 0.14200000 { ?} 0.00000000 b:CAcbconh.139.2 a:hncagrs.40.2 0 {?} {?} 32.35699844 0.74199998 1.86399996 { ?} 0.00000000 0 0 0 {?} 141 0.417 0.000 0.000 0 2 {?} {?} 7.97200012 0.04400000 0.07400000 {++} 0.00000000 0 a:CBcaconh.130.1 111 {?} {?} 123.68000031 0.37000000 0.37000000 { ?} 0.00000000 0 a:CBcaconh.130.2 0 {?} {?} 54.32600021 0.84600002 1.86399996 { ?} 0.00000000 0 0 0 {?} 142 0.354 0.000 0.000 0 2 {?} {?} 8.24100018 0.02500000 0.02500000 {+E} 0.00000000 b:CBcaconh.131.1 0 112 {?} {?} 124.39199829 0.42699999 0.72700000 { ?} 0.00000000 b:CBcaconh.131.2 0 0 {?} {?} 61.77199936 0.94400001 0.94400001 { ?} 0.00000000 0 0 0 {?} 143 0.359 0.000 0.000 0 2 {?} {?} 6.69299984 0.02900000 0.04800000 {++} 0.00000000 b:CBcaconh.132.1 a:hncagrs.279.1 113 {?} {?} 113.50000000 0.48699999 1.21200001 { ?} 0.00000000 b:CBcaconh.132.2 a:hncagrs.279.2 0 {?} {?} 33.41299820 0.52499998 0.84899998 { ?} 0.00000000 0 0 0 {?} 144 0.407 0.407 0.000 1 2 {?} {?} 8.05099964 0.02000000 0.02000000 {+E} 0.00000000 0 0 29 {?} {?} 121.74099731 0.41700000 0.41700000 {+E} 0.00000000 0 0 0 {?} {?} 57.42399979 0.98299998 0.98299998 {EP} 0.00000000 0 0 0 {?} 145 1.229 1.229 0.000 0 2 {?} {?} 7.67399979 0.04200000 0.08700000 {+P} 0.00000000 0 0 38 {?} {?} 121.25599670 0.36300001 0.46599999 {+E} 0.00000000 0 0 0 {?} {?} 54.11700058 0.70599997 1.86399996 {PP} 0.00000000 0 0 0 {?} 146 1.005 1.005 0.000 0 2 {?} {40.hn} 9.05900002 0.05500000 0.10800000 {+P} 0.00000000 0 0 51 {?} {40.n} 116.40799713 0.48300001 0.48300001 {+E} 0.00000000 0 0 0 {?} {39.ca} 62.06900024 0.63499999 1.18599999 {+P} 0.00000000 0 0 0 {?} 147 0.289 0.289 0.000 0 2 {?} {?} 7.43699980 0.04500000 0.06400000 {++} 0.00000000 0 0 97 {?} {?} 110.34899902 0.27599999 0.41800001 {+E} 0.00000000 0 0 0 {?} {?} 57.91299820 0.64700001 1.86399996 {P+} 0.00000000 0 0 0 {?} stop_ save_ ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 H 1 HN . 2507.39 . . . 15882 3 2 N 15 N . 1572.33 . . . 15882 3 3 C 13 'CA CB' . 10000.00 . . . 15882 3 stop_ save_