data_15885 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15885 _Entry.Title ; Backbone assignment of the UHM domain of Puf60 in the free form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-07-25 _Entry.Accession_date 2008-07-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Backbone assignment of the UHM domain of Puf60' _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 . . . 15885 2 Michael Sattler . . . 15885 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15885 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 197 15885 '15N chemical shifts' 99 15885 '1H chemical shifts' 99 15885 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-12-03 2008-07-25 update BMRB 'complete entry citation' 15885 1 . . 2008-10-15 2008-07-25 original author 'original release' 15885 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15887 '1H, 15N chemical shifts of the UHM domain of Puf60 in complex with U2AF65(85-112)' 15885 BMRB 15888 '1H, 15N chemical shifts of the UHM domain of Puf60 in complex with SF1 (1-25)' 15885 BMRB 15889 '1H, 15N chemical shifts of the UHM domain of Puf60 in complex with SF3b155 (194-229)' 15885 BMRB 15890 '1H, 15N chemical shifts of the UHM domain of Puf60 in complex with SF3b155 (317-357)' 15885 BMRB 15891 '1H, 15N chemical shifts of the UHM domain of Puf60 in complex with Prp16 (201-238)' 15885 PDB 2DNY 'NMR structure of the same domain' 15885 PDB 3dxb 'crystal structure of the same domain' 15885 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15885 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Backbone assignment of the UHM domain of Puf60 free and bound to five ligands' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 2 _Citation.Journal_issue 2 _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 211 _Citation.Page_last 214 _Citation.Year 2008 _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 . . . 15885 1 2 Michael Sattler . . . 15885 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'alternative splicing' 15885 1 'FBP interacting repressor' 15885 1 RRM 15885 1 splicing 15885 1 UHM 15885 1 'UHM ligand motif, ULM' 15885 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15885 _Assembly.ID 1 _Assembly.Name 'UHM domain of Puf60' _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 12637.1 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'UHM domain of Puf60' 1 $UHM_domain_of_Puf60 A . yes native no no . . . 15885 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 2DNY . . 'solution NMR' . 'NMR structure of the UHM domain of Puf60, for which the backbone assignment is reported here' . 15885 1 yes PDB 3dxb . . X-ray 2.2 'crystal structure of the UHM domain of PUF60, for which the backbone assignment is reported here' . 15885 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'alternative splicing' 15885 1 splicing 15885 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UHM_domain_of_Puf60 _Entity.Sf_category entity _Entity.Sf_framecode UHM_domain_of_Puf60 _Entity.Entry_ID 15885 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name UHM_domain_of_Puf60 _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 ; GAMESTVMVLRNMVDPKDID DDLEGEVTEECGKFGAVNRV IIYQEKQGEEEDAEIIVKIF VEFSIASETHKAIQALNGRW FAGRKVVAEVYDQERFDNSD LSA ; _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 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'U2AF homology motif, UHM' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12637.1 _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 BMRB 15887 . UHM_domain_of_Puf60 . . . . . 99.03 110 99.02 99.02 1.01e-65 . . . . 15885 1 2 no BMRB 15888 . UHM_domain_of_Puf60 . . . . . 99.03 110 99.02 99.02 1.01e-65 . . . . 15885 1 3 no BMRB 15889 . UHM_domain_of_Puf60 . . . . . 99.03 110 99.02 99.02 1.01e-65 . . . . 15885 1 4 no BMRB 15890 . UHM_domain_of_Puf60 . . . . . 99.03 110 99.02 99.02 1.01e-65 . . . . 15885 1 5 no BMRB 15891 . UHM_domain_of_Puf60 . . . . . 99.03 110 99.02 99.02 1.01e-65 . . . . 15885 1 6 no PDB 2DNY . "Solution Structure Of The Third Rna Binding Domain Of Fbp- Interacting Repressor, Siahbp1" . . . . . 97.09 119 100.00 100.00 8.71e-65 . . . . 15885 1 7 no PDB 3DXB . "Structure Of The Uhm Domain Of Puf60 Fused To Thioredoxin" . . . . . 99.03 222 100.00 100.00 1.13e-64 . . . . 15885 1 8 no PDB 3UE2 . "Crystal Structure Of A Rna Binding Domain Of Poly-U Binding Splicing Factor 60kda (Puf60) From Homo Sapiens At 1.23 A Resolutio" . . . . . 98.06 118 97.03 97.03 1.67e-62 . . . . 15885 1 9 no PDB 3US5 . "Crystal Structure Of A Rna-Binding Domain Of A Poly-U Binding Splicing Factor 60kda (Puf60) From Homo Sapiens At 1.38 A Resolut" . . . . . 98.06 118 97.03 97.03 1.67e-62 . . . . 15885 1 10 no DBJ BAE28998 . "unnamed protein product [Mus musculus]" . . . . . 97.09 564 98.00 99.00 2.58e-58 . . . . 15885 1 11 no DBJ BAE30474 . "unnamed protein product [Mus musculus]" . . . . . 97.09 547 98.00 99.00 4.46e-58 . . . . 15885 1 12 no DBJ BAE40622 . "unnamed protein product [Mus musculus]" . . . . . 97.09 547 98.00 99.00 4.46e-58 . . . . 15885 1 13 no DBJ BAF85062 . "unnamed protein product [Homo sapiens]" . . . . . 97.09 559 100.00 100.00 2.08e-59 . . . . 15885 1 14 no DBJ BAI46053 . "poly-U binding splicing factor 60KDa [synthetic construct]" . . . . . 97.09 499 100.00 100.00 1.84e-59 . . . . 15885 1 15 no EMBL CAG33424 . "SIAHBP1 [Homo sapiens]" . . . . . 97.09 559 100.00 100.00 2.08e-59 . . . . 15885 1 16 no EMBL CAH89379 . "hypothetical protein [Pongo abelii]" . . . . . 97.09 513 100.00 100.00 2.21e-59 . . . . 15885 1 17 no EMBL CAH93447 . "hypothetical protein [Pongo abelii]" . . . . . 97.09 558 100.00 100.00 1.92e-59 . . . . 15885 1 18 no GB AAB41656 . "siah binding protein 1 [Homo sapiens]" . . . . . 97.09 541 100.00 100.00 3.98e-59 . . . . 15885 1 19 no GB AAD44358 . "RNA-binding protein SiahBP [Rattus norvegicus]" . . . . . 97.09 565 98.00 99.00 5.66e-58 . . . . 15885 1 20 no GB AAF05605 . "poly-U binding splicing factor PUF60 [Homo sapiens]" . . . . . 97.09 556 100.00 100.00 2.22e-59 . . . . 15885 1 21 no GB AAF23589 . "Ro ribonucleoprotein-binding protein 1 [Homo sapiens]" . . . . . 97.09 559 100.00 100.00 2.08e-59 . . . . 15885 1 22 no GB AAF27522 . "FBP-interacting repressor [Homo sapiens]" . . . . . 97.09 542 100.00 100.00 3.72e-59 . . . . 15885 1 23 no REF NP_001039598 . "poly(U)-binding-splicing factor PUF60 [Bos taurus]" . . . . . 97.09 530 98.00 99.00 1.79e-58 . . . . 15885 1 24 no REF NP_001127017 . "poly(U)-binding-splicing factor PUF60 [Pongo abelii]" . . . . . 97.09 558 100.00 100.00 1.92e-59 . . . . 15885 1 25 no REF NP_001128734 . "DKFZP468L0227 protein [Pongo abelii]" . . . . . 97.09 513 100.00 100.00 2.21e-59 . . . . 15885 1 26 no REF NP_001129505 . "poly(U)-binding-splicing factor PUF60 isoform c [Homo sapiens]" . . . . . 97.09 516 100.00 100.00 1.01e-59 . . . . 15885 1 27 no REF NP_001158072 . "poly(U)-binding-splicing factor PUF60 isoform c [Mus musculus]" . . . . . 97.09 499 98.00 99.00 1.80e-58 . . . . 15885 1 28 no SP Q2HJG2 . "RecName: Full=Poly(U)-binding-splicing factor PUF60; AltName: Full=60 kDa poly(U)-binding-splicing factor" . . . . . 97.09 530 98.00 99.00 1.79e-58 . . . . 15885 1 29 no SP Q3UEB3 . "RecName: Full=Poly(U)-binding-splicing factor PUF60; AltName: Full=60 kDa poly(U)-binding-splicing factor" . . . . . 97.09 564 98.00 99.00 2.60e-58 . . . . 15885 1 30 no SP Q5R469 . "RecName: Full=Poly(U)-binding-splicing factor PUF60; AltName: Full=60 kDa poly(U)-binding-splicing factor" . . . . . 97.09 558 100.00 100.00 1.92e-59 . . . . 15885 1 31 no SP Q9UHX1 . "RecName: Full=Poly(U)-binding-splicing factor PUF60; AltName: Full=60 kDa poly(U)-binding-splicing factor; AltName: Full=FUSE-b" . . . . . 97.09 559 100.00 100.00 2.08e-59 . . . . 15885 1 32 no SP Q9WV25 . "RecName: Full=Poly(U)-binding-splicing factor PUF60; AltName: Full=60 kDa poly(U)-binding-splicing factor; AltName: Full=RNA-bi" . . . . . 97.09 564 98.00 99.00 2.60e-58 . . . . 15885 1 33 no TPG DAA22863 . "TPA: poly(U)-binding-splicing factor PUF60 [Bos taurus]" . . . . . 97.09 530 99.00 100.00 2.39e-59 . . . . 15885 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'alternative splicing' 15885 1 splicing 15885 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 . 15885 1 2 . ALA . 15885 1 3 . MET . 15885 1 4 . GLU . 15885 1 5 . SER . 15885 1 6 . THR . 15885 1 7 . VAL . 15885 1 8 . MET . 15885 1 9 . VAL . 15885 1 10 . LEU . 15885 1 11 . ARG . 15885 1 12 . ASN . 15885 1 13 . MET . 15885 1 14 . VAL . 15885 1 15 . ASP . 15885 1 16 . PRO . 15885 1 17 . LYS . 15885 1 18 . ASP . 15885 1 19 . ILE . 15885 1 20 . ASP . 15885 1 21 . ASP . 15885 1 22 . ASP . 15885 1 23 . LEU . 15885 1 24 . GLU . 15885 1 25 . GLY . 15885 1 26 . GLU . 15885 1 27 . VAL . 15885 1 28 . THR . 15885 1 29 . GLU . 15885 1 30 . GLU . 15885 1 31 . CYS . 15885 1 32 . GLY . 15885 1 33 . LYS . 15885 1 34 . PHE . 15885 1 35 . GLY . 15885 1 36 . ALA . 15885 1 37 . VAL . 15885 1 38 . ASN . 15885 1 39 . ARG . 15885 1 40 . VAL . 15885 1 41 . ILE . 15885 1 42 . ILE . 15885 1 43 . TYR . 15885 1 44 . GLN . 15885 1 45 . GLU . 15885 1 46 . LYS . 15885 1 47 . GLN . 15885 1 48 . GLY . 15885 1 49 . GLU . 15885 1 50 . GLU . 15885 1 51 . GLU . 15885 1 52 . ASP . 15885 1 53 . ALA . 15885 1 54 . GLU . 15885 1 55 . ILE . 15885 1 56 . ILE . 15885 1 57 . VAL . 15885 1 58 . LYS . 15885 1 59 . ILE . 15885 1 60 . PHE . 15885 1 61 . VAL . 15885 1 62 . GLU . 15885 1 63 . PHE . 15885 1 64 . SER . 15885 1 65 . ILE . 15885 1 66 . ALA . 15885 1 67 . SER . 15885 1 68 . GLU . 15885 1 69 . THR . 15885 1 70 . HIS . 15885 1 71 . LYS . 15885 1 72 . ALA . 15885 1 73 . ILE . 15885 1 74 . GLN . 15885 1 75 . ALA . 15885 1 76 . LEU . 15885 1 77 . ASN . 15885 1 78 . GLY . 15885 1 79 . ARG . 15885 1 80 . TRP . 15885 1 81 . PHE . 15885 1 82 . ALA . 15885 1 83 . GLY . 15885 1 84 . ARG . 15885 1 85 . LYS . 15885 1 86 . VAL . 15885 1 87 . VAL . 15885 1 88 . ALA . 15885 1 89 . GLU . 15885 1 90 . VAL . 15885 1 91 . TYR . 15885 1 92 . ASP . 15885 1 93 . GLN . 15885 1 94 . GLU . 15885 1 95 . ARG . 15885 1 96 . PHE . 15885 1 97 . ASP . 15885 1 98 . ASN . 15885 1 99 . SER . 15885 1 100 . ASP . 15885 1 101 . LEU . 15885 1 102 . SER . 15885 1 103 . ALA . 15885 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 15885 1 . ALA 2 2 15885 1 . MET 3 3 15885 1 . GLU 4 4 15885 1 . SER 5 5 15885 1 . THR 6 6 15885 1 . VAL 7 7 15885 1 . MET 8 8 15885 1 . VAL 9 9 15885 1 . LEU 10 10 15885 1 . ARG 11 11 15885 1 . ASN 12 12 15885 1 . MET 13 13 15885 1 . VAL 14 14 15885 1 . ASP 15 15 15885 1 . PRO 16 16 15885 1 . LYS 17 17 15885 1 . ASP 18 18 15885 1 . ILE 19 19 15885 1 . ASP 20 20 15885 1 . ASP 21 21 15885 1 . ASP 22 22 15885 1 . LEU 23 23 15885 1 . GLU 24 24 15885 1 . GLY 25 25 15885 1 . GLU 26 26 15885 1 . VAL 27 27 15885 1 . THR 28 28 15885 1 . GLU 29 29 15885 1 . GLU 30 30 15885 1 . CYS 31 31 15885 1 . GLY 32 32 15885 1 . LYS 33 33 15885 1 . PHE 34 34 15885 1 . GLY 35 35 15885 1 . ALA 36 36 15885 1 . VAL 37 37 15885 1 . ASN 38 38 15885 1 . ARG 39 39 15885 1 . VAL 40 40 15885 1 . ILE 41 41 15885 1 . ILE 42 42 15885 1 . TYR 43 43 15885 1 . GLN 44 44 15885 1 . GLU 45 45 15885 1 . LYS 46 46 15885 1 . GLN 47 47 15885 1 . GLY 48 48 15885 1 . GLU 49 49 15885 1 . GLU 50 50 15885 1 . GLU 51 51 15885 1 . ASP 52 52 15885 1 . ALA 53 53 15885 1 . GLU 54 54 15885 1 . ILE 55 55 15885 1 . ILE 56 56 15885 1 . VAL 57 57 15885 1 . LYS 58 58 15885 1 . ILE 59 59 15885 1 . PHE 60 60 15885 1 . VAL 61 61 15885 1 . GLU 62 62 15885 1 . PHE 63 63 15885 1 . SER 64 64 15885 1 . ILE 65 65 15885 1 . ALA 66 66 15885 1 . SER 67 67 15885 1 . GLU 68 68 15885 1 . THR 69 69 15885 1 . HIS 70 70 15885 1 . LYS 71 71 15885 1 . ALA 72 72 15885 1 . ILE 73 73 15885 1 . GLN 74 74 15885 1 . ALA 75 75 15885 1 . LEU 76 76 15885 1 . ASN 77 77 15885 1 . GLY 78 78 15885 1 . ARG 79 79 15885 1 . TRP 80 80 15885 1 . PHE 81 81 15885 1 . ALA 82 82 15885 1 . GLY 83 83 15885 1 . ARG 84 84 15885 1 . LYS 85 85 15885 1 . VAL 86 86 15885 1 . VAL 87 87 15885 1 . ALA 88 88 15885 1 . GLU 89 89 15885 1 . VAL 90 90 15885 1 . TYR 91 91 15885 1 . ASP 92 92 15885 1 . GLN 93 93 15885 1 . GLU 94 94 15885 1 . ARG 95 95 15885 1 . PHE 96 96 15885 1 . ASP 97 97 15885 1 . ASN 98 98 15885 1 . SER 99 99 15885 1 . ASP 100 100 15885 1 . LEU 101 101 15885 1 . SER 102 102 15885 1 . ALA 103 103 15885 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 15885 _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 $UHM_domain_of_Puf60 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15885 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 15885 _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 $UHM_domain_of_Puf60 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 BL21(DE3)pLysS . . . . . . . . . . . . . . pET9d . . . . . . 15885 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15885 _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 'UHM domain of Puf60' '[U-100% 13C; U-100% 15N]' . . 1 $UHM_domain_of_Puf60 . . 0.4 . . mM 0.1 . . . 15885 1 2 NaH2PO4 'natural abundance' . . . . . . 50 . . mM . . . . 15885 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 15885 1 4 b-mercaptoethanol 'natural abundance' . . . . . . 5 . . mM . . . . 15885 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15885 1 6 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15885 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 15885 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 0.01 M 15885 1 pH 6.8 0.1 pH 15885 1 pressure 1 . atm 15885 1 temperature 300 0.1 K 15885 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15885 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details 'Data collection' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15885 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15885 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15885 _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' . . 15885 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15885 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15885 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15885 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15885 3 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 15885 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15885 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 15885 _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 . . . 15885 1 2 spectrometer_2 Bruker DRX . 600 . . . 15885 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 15885 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15885 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15885 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 15885 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15885 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15885 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15885 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 15885 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' . . . 15885 1 2 '3D CBCA(CO)NH' . . . 15885 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 2 2 ALA CA C 13 53.042 0.26 . 1 . . . . 2 ALA CA . 15885 1 2 . 1 1 2 2 ALA CB C 13 19.355 0.26 . 1 . . . . 2 ALA CB . 15885 1 3 . 1 1 3 3 MET H H 1 8.511 0.0018 . 1 . . . . 3 MET HN . 15885 1 4 . 1 1 3 3 MET CA C 13 55.620 0.26 . 1 . . . . 3 MET CA . 15885 1 5 . 1 1 3 3 MET CB C 13 32.742 0.26 . 1 . . . . 3 MET CB . 15885 1 6 . 1 1 3 3 MET N N 15 119.209 0.013 . 1 . . . . 3 MET N . 15885 1 7 . 1 1 4 4 GLU H H 1 8.369 0.0018 . 1 . . . . 4 GLU HN . 15885 1 8 . 1 1 4 4 GLU CA C 13 55.943 0.26 . 1 . . . . 4 GLU CA . 15885 1 9 . 1 1 4 4 GLU CB C 13 30.556 0.26 . 1 . . . . 4 GLU CB . 15885 1 10 . 1 1 4 4 GLU N N 15 122.128 0.013 . 1 . . . . 4 GLU N . 15885 1 11 . 1 1 5 5 SER H H 1 8.232 0.0018 . 1 . . . . 5 SER HN . 15885 1 12 . 1 1 5 5 SER CA C 13 56.717 0.26 . 1 . . . . 5 SER CA . 15885 1 13 . 1 1 5 5 SER CB C 13 64.741 0.26 . 1 . . . . 5 SER CB . 15885 1 14 . 1 1 5 5 SER N N 15 116.549 0.013 . 1 . . . . 5 SER N . 15885 1 15 . 1 1 6 6 THR H H 1 8.429 0.0018 . 1 . . . . 6 THR HN . 15885 1 16 . 1 1 6 6 THR CA C 13 61.635 0.26 . 1 . . . . 6 THR CA . 15885 1 17 . 1 1 6 6 THR CB C 13 68.374 0.26 . 1 . . . . 6 THR CB . 15885 1 18 . 1 1 6 6 THR N N 15 113.876 0.013 . 1 . . . . 6 THR N . 15885 1 19 . 1 1 7 7 VAL H H 1 8.938 0.0018 . 1 . . . . 7 VAL HN . 15885 1 20 . 1 1 7 7 VAL CA C 13 61.635 0.26 . 1 . . . . 7 VAL CA . 15885 1 21 . 1 1 7 7 VAL CB C 13 32.643 0.26 . 1 . . . . 7 VAL CB . 15885 1 22 . 1 1 7 7 VAL N N 15 126.481 0.013 . 1 . . . . 7 VAL N . 15885 1 23 . 1 1 8 8 MET H H 1 9.142 0.0018 . 1 . . . . 8 MET HN . 15885 1 24 . 1 1 8 8 MET CA C 13 52.802 0.26 . 1 . . . . 8 MET CA . 15885 1 25 . 1 1 8 8 MET CB C 13 37.820 0.26 . 1 . . . . 8 MET CB . 15885 1 26 . 1 1 8 8 MET N N 15 127.693 0.013 . 1 . . . . 8 MET N . 15885 1 27 . 1 1 9 9 VAL H H 1 9.373 0.0018 . 1 . . . . 9 VAL HN . 15885 1 28 . 1 1 9 9 VAL CA C 13 57.953 0.26 . 1 . . . . 9 VAL CA . 15885 1 29 . 1 1 9 9 VAL CB C 13 35.231 0.26 . 1 . . . . 9 VAL CB . 15885 1 30 . 1 1 9 9 VAL N N 15 124.299 0.013 . 1 . . . . 9 VAL N . 15885 1 31 . 1 1 10 10 LEU H H 1 9.122 0.0018 . 1 . . . . 10 LEU HN . 15885 1 32 . 1 1 10 10 LEU CA C 13 52.800 0.26 . 1 . . . . 10 LEU CA . 15885 1 33 . 1 1 10 10 LEU CB C 13 42.997 0.26 . 1 . . . . 10 LEU CB . 15885 1 34 . 1 1 10 10 LEU N N 15 126.481 0.013 . 1 . . . . 10 LEU N . 15885 1 35 . 1 1 11 11 ARG H H 1 9.590 0.0018 . 1 . . . . 11 ARG HN . 15885 1 36 . 1 1 11 11 ARG CA C 13 54.368 0.26 . 1 . . . . 11 ARG CA . 15885 1 37 . 1 1 11 11 ARG CB C 13 32.196 0.26 . 1 . . . . 11 ARG CB . 15885 1 38 . 1 1 11 11 ARG N N 15 124.057 0.013 . 1 . . . . 11 ARG N . 15885 1 39 . 1 1 12 12 ASN H H 1 8.877 0.0018 . 1 . . . . 12 ASN HN . 15885 1 40 . 1 1 12 12 ASN CA C 13 54.453 0.26 . 1 . . . . 12 ASN CA . 15885 1 41 . 1 1 12 12 ASN CB C 13 38.873 0.26 . 1 . . . . 12 ASN CB . 15885 1 42 . 1 1 12 12 ASN N N 15 117.027 0.013 . 1 . . . . 12 ASN N . 15885 1 43 . 1 1 13 13 MET H H 1 8.648 0.0018 . 1 . . . . 13 MET HN . 15885 1 44 . 1 1 13 13 MET CA C 13 58.529 0.26 . 1 . . . . 13 MET CA . 15885 1 45 . 1 1 13 13 MET CB C 13 34.600 0.26 . 1 . . . . 13 MET CB . 15885 1 46 . 1 1 13 13 MET N N 15 117.027 0.013 . 1 . . . . 13 MET N . 15885 1 47 . 1 1 14 14 VAL H H 1 6.812 0.0018 . 1 . . . . 14 VAL HN . 15885 1 48 . 1 1 14 14 VAL CA C 13 58.787 0.26 . 1 . . . . 14 VAL CA . 15885 1 49 . 1 1 14 14 VAL CB C 13 35.749 0.26 . 1 . . . . 14 VAL CB . 15885 1 50 . 1 1 14 14 VAL N N 15 106.846 0.013 . 1 . . . . 14 VAL N . 15885 1 51 . 1 1 15 15 ASP H H 1 8.911 0.0018 . 1 . . . . 15 ASP HN . 15885 1 52 . 1 1 15 15 ASP CA C 13 51.798 0.26 . 1 . . . . 15 ASP CA . 15885 1 53 . 1 1 15 15 ASP CB C 13 42.479 0.26 . 1 . . . . 15 ASP CB . 15885 1 54 . 1 1 15 15 ASP N N 15 125.753 0.013 . 1 . . . . 15 ASP N . 15885 1 55 . 1 1 16 16 PRO CA C 13 65.777 0.26 . 1 . . . . 16 PRO CA . 15885 1 56 . 1 1 16 16 PRO CB C 13 31.509 0.26 . 1 . . . . 16 PRO CB . 15885 1 57 . 1 1 17 17 LYS H H 1 8.666 0.0018 . 1 . . . . 17 LYS HN . 15885 1 58 . 1 1 17 17 LYS CA C 13 58.011 0.26 . 1 . . . . 17 LYS CA . 15885 1 59 . 1 1 17 17 LYS CB C 13 31.670 0.26 . 1 . . . . 17 LYS CB . 15885 1 60 . 1 1 17 17 LYS N N 15 116.057 0.013 . 1 . . . . 17 LYS N . 15885 1 61 . 1 1 18 18 ASP H H 1 8.075 0.0018 . 1 . . . . 18 ASP HN . 15885 1 62 . 1 1 18 18 ASP CA C 13 54.387 0.26 . 1 . . . . 18 ASP CA . 15885 1 63 . 1 1 18 18 ASP CB C 13 41.962 0.26 . 1 . . . . 18 ASP CB . 15885 1 64 . 1 1 18 18 ASP N N 15 118.451 0.013 . 1 . . . . 18 ASP N . 15885 1 65 . 1 1 19 19 ILE H H 1 7.249 0.0018 . 1 . . . . 19 ILE HN . 15885 1 66 . 1 1 19 19 ILE CA C 13 63.808 0.26 . 1 . . . . 19 ILE CA . 15885 1 67 . 1 1 19 19 ILE CB C 13 37.886 0.26 . 1 . . . . 19 ILE CB . 15885 1 68 . 1 1 19 19 ILE N N 15 120.174 0.013 . 1 . . . . 19 ILE N . 15885 1 69 . 1 1 20 20 ASP H H 1 7.513 0.0018 . 1 . . . . 20 ASP HN . 15885 1 70 . 1 1 20 20 ASP CA C 13 53.005 0.26 . 1 . . . . 20 ASP CA . 15885 1 71 . 1 1 20 20 ASP CB C 13 42.479 0.26 . 1 . . . . 20 ASP CB . 15885 1 72 . 1 1 20 20 ASP N N 15 126.956 0.013 . 1 . . . . 20 ASP N . 15885 1 73 . 1 1 21 21 ASP H H 1 8.490 0.0018 . 1 . . . . 21 ASP HN . 15885 1 74 . 1 1 21 21 ASP CA C 13 56.887 0.26 . 1 . . . . 21 ASP CA . 15885 1 75 . 1 1 21 21 ASP CB C 13 40.926 0.26 . 1 . . . . 21 ASP CB . 15885 1 76 . 1 1 21 21 ASP N N 15 118.239 0.013 . 1 . . . . 21 ASP N . 15885 1 77 . 1 1 22 22 ASP H H 1 8.379 0.0018 . 1 . . . . 22 ASP HN . 15885 1 78 . 1 1 22 22 ASP CA C 13 55.146 0.26 . 1 . . . . 22 ASP CA . 15885 1 79 . 1 1 22 22 ASP CB C 13 41.037 0.26 . 1 . . . . 22 ASP CB . 15885 1 80 . 1 1 22 22 ASP N N 15 119.209 0.013 . 1 . . . . 22 ASP N . 15885 1 81 . 1 1 23 23 LEU H H 1 7.504 0.0018 . 1 . . . . 23 LEU HN . 15885 1 82 . 1 1 23 23 LEU CA C 13 58.626 0.26 . 1 . . . . 23 LEU CA . 15885 1 83 . 1 1 23 23 LEU CB C 13 41.444 0.26 . 1 . . . . 23 LEU CB . 15885 1 84 . 1 1 23 23 LEU N N 15 123.572 0.013 . 1 . . . . 23 LEU N . 15885 1 85 . 1 1 24 24 GLU H H 1 8.977 0.0018 . 1 . . . . 24 GLU HN . 15885 1 86 . 1 1 24 24 GLU CA C 13 61.117 0.26 . 1 . . . . 24 GLU CA . 15885 1 87 . 1 1 24 24 GLU CB C 13 29.019 0.26 . 1 . . . . 24 GLU CB . 15885 1 88 . 1 1 24 24 GLU N N 15 118.724 0.013 . 1 . . . . 24 GLU N . 15885 1 89 . 1 1 25 25 GLY H H 1 8.678 0.0018 . 1 . . . . 25 GLY HN . 15885 1 90 . 1 1 25 25 GLY CA C 13 47.131 0.26 . 1 . . . . 25 GLY CA . 15885 1 91 . 1 1 25 25 GLY N N 15 110.725 0.013 . 1 . . . . 25 GLY N . 15885 1 92 . 1 1 26 26 GLU H H 1 8.170 0.0018 . 1 . . . . 26 GLU HN . 15885 1 93 . 1 1 26 26 GLU CA C 13 59.522 0.26 . 1 . . . . 26 GLU CA . 15885 1 94 . 1 1 26 26 GLU CB C 13 29.484 0.26 . 1 . . . . 26 GLU CB . 15885 1 95 . 1 1 26 26 GLU N N 15 124.304 0.013 . 1 . . . . 26 GLU N . 15885 1 96 . 1 1 27 27 VAL H H 1 8.660 0.0018 . 1 . . . . 27 VAL HN . 15885 1 97 . 1 1 27 27 VAL CA C 13 66.775 0.26 . 1 . . . . 27 VAL CA . 15885 1 98 . 1 1 27 27 VAL CB C 13 31.723 0.26 . 1 . . . . 27 VAL CB . 15885 1 99 . 1 1 27 27 VAL N N 15 120.178 0.013 . 1 . . . . 27 VAL N . 15885 1 100 . 1 1 28 28 THR H H 1 8.340 0.0018 . 1 . . . . 28 THR HN . 15885 1 101 . 1 1 28 28 THR CA C 13 68.371 0.26 . 1 . . . . 28 THR CA . 15885 1 102 . 1 1 28 28 THR CB C 13 67.830 0.26 . 1 . . . . 28 THR CB . 15885 1 103 . 1 1 28 28 THR N N 15 117.754 0.013 . 1 . . . . 28 THR N . 15885 1 104 . 1 1 29 29 GLU H H 1 8.262 0.0018 . 1 . . . . 29 GLU HN . 15885 1 105 . 1 1 29 29 GLU CA C 13 59.592 0.26 . 1 . . . . 29 GLU CA . 15885 1 106 . 1 1 29 29 GLU CB C 13 29.557 0.26 . 1 . . . . 29 GLU CB . 15885 1 107 . 1 1 29 29 GLU N N 15 122.535 0.013 . 1 . . . . 29 GLU N . 15885 1 108 . 1 1 30 30 GLU H H 1 8.000 0.0018 . 1 . . . . 30 GLU HN . 15885 1 109 . 1 1 30 30 GLU CA C 13 59.046 0.26 . 1 . . . . 30 GLU CA . 15885 1 110 . 1 1 30 30 GLU CB C 13 29.536 0.26 . 1 . . . . 30 GLU CB . 15885 1 111 . 1 1 30 30 GLU N N 15 119.465 0.013 . 1 . . . . 30 GLU N . 15885 1 112 . 1 1 31 31 CYS H H 1 8.554 0.0018 . 1 . . . . 31 CYS HN . 15885 1 113 . 1 1 31 31 CYS CA C 13 64.224 0.26 . 1 . . . . 31 CYS CA . 15885 1 114 . 1 1 31 31 CYS CB C 13 26.948 0.26 . 1 . . . . 31 CYS CB . 15885 1 115 . 1 1 31 31 CYS N N 15 113.633 0.013 . 1 . . . . 31 CYS N . 15885 1 116 . 1 1 32 32 GLY H H 1 8.211 0.0018 . 1 . . . . 32 GLY HN . 15885 1 117 . 1 1 32 32 GLY CA C 13 45.606 0.26 . 1 . . . . 32 GLY CA . 15885 1 118 . 1 1 32 32 GLY N N 15 108.342 0.013 . 1 . . . . 32 GLY N . 15885 1 119 . 1 1 33 33 LYS H H 1 7.048 0.0018 . 1 . . . . 33 LYS HN . 15885 1 120 . 1 1 33 33 LYS CA C 13 58.077 0.26 . 1 . . . . 33 LYS CA . 15885 1 121 . 1 1 33 33 LYS CB C 13 31.507 0.26 . 1 . . . . 33 LYS CB . 15885 1 122 . 1 1 33 33 LYS N N 15 117.754 0.013 . 1 . . . . 33 LYS N . 15885 1 123 . 1 1 34 34 PHE H H 1 7.740 0.0018 . 1 . . . . 34 PHE HN . 15885 1 124 . 1 1 34 34 PHE CA C 13 57.380 0.26 . 1 . . . . 34 PHE CA . 15885 1 125 . 1 1 34 34 PHE CB C 13 40.201 0.26 . 1 . . . . 34 PHE CB . 15885 1 126 . 1 1 34 34 PHE N N 15 116.549 0.013 . 1 . . . . 34 PHE N . 15885 1 127 . 1 1 35 35 GLY H H 1 7.426 0.0018 . 1 . . . . 35 GLY HN . 15885 1 128 . 1 1 35 35 GLY CA C 13 45.057 0.26 . 1 . . . . 35 GLY CA . 15885 1 129 . 1 1 35 35 GLY N N 15 104.665 0.013 . 1 . . . . 35 GLY N . 15885 1 130 . 1 1 36 36 ALA H H 1 8.256 0.0018 . 1 . . . . 36 ALA HN . 15885 1 131 . 1 1 36 36 ALA CA C 13 51.784 0.26 . 1 . . . . 36 ALA CA . 15885 1 132 . 1 1 36 36 ALA CB C 13 18.656 0.26 . 1 . . . . 36 ALA CB . 15885 1 133 . 1 1 36 36 ALA N N 15 122.351 0.013 . 1 . . . . 36 ALA N . 15885 1 134 . 1 1 37 37 VAL H H 1 8.385 0.0018 . 1 . . . . 37 VAL HN . 15885 1 135 . 1 1 37 37 VAL CA C 13 62.682 0.26 . 1 . . . . 37 VAL CA . 15885 1 136 . 1 1 37 37 VAL CB C 13 32.125 0.26 . 1 . . . . 37 VAL CB . 15885 1 137 . 1 1 37 37 VAL N N 15 125.026 0.013 . 1 . . . . 37 VAL N . 15885 1 138 . 1 1 38 38 ASN H H 1 9.396 0.0018 . 1 . . . . 38 ASN HN . 15885 1 139 . 1 1 38 38 ASN CA C 13 54.380 0.26 . 1 . . . . 38 ASN CA . 15885 1 140 . 1 1 38 38 ASN CB C 13 39.283 0.26 . 1 . . . . 38 ASN CB . 15885 1 141 . 1 1 38 38 ASN N N 15 128.420 0.013 . 1 . . . . 38 ASN N . 15885 1 142 . 1 1 39 39 ARG H H 1 7.430 0.0018 . 1 . . . . 39 ARG HN . 15885 1 143 . 1 1 39 39 ARG CA C 13 55.940 0.26 . 1 . . . . 39 ARG CA . 15885 1 144 . 1 1 39 39 ARG CB C 13 33.597 0.26 . 1 . . . . 39 ARG CB . 15885 1 145 . 1 1 39 39 ARG N N 15 115.338 0.013 . 1 . . . . 39 ARG N . 15885 1 146 . 1 1 40 40 VAL H H 1 8.394 0.0018 . 1 . . . . 40 VAL HN . 15885 1 147 . 1 1 40 40 VAL CA C 13 61.117 0.26 . 1 . . . . 40 VAL CA . 15885 1 148 . 1 1 40 40 VAL CB C 13 35.196 0.26 . 1 . . . . 40 VAL CB . 15885 1 149 . 1 1 40 40 VAL N N 15 122.563 0.013 . 1 . . . . 40 VAL N . 15885 1 150 . 1 1 41 41 ILE H H 1 9.297 0.0018 . 1 . . . . 41 ILE HN . 15885 1 151 . 1 1 41 41 ILE CA C 13 60.607 0.26 . 1 . . . . 41 ILE CA . 15885 1 152 . 1 1 41 41 ILE CB C 13 42.565 0.26 . 1 . . . . 41 ILE CB . 15885 1 153 . 1 1 41 41 ILE N N 15 125.753 0.013 . 1 . . . . 41 ILE N . 15885 1 154 . 1 1 42 42 ILE H H 1 9.122 0.0018 . 1 . . . . 42 ILE HN . 15885 1 155 . 1 1 42 42 ILE CA C 13 61.118 0.26 . 1 . . . . 42 ILE CA . 15885 1 156 . 1 1 42 42 ILE CB C 13 36.809 0.26 . 1 . . . . 42 ILE CB . 15885 1 157 . 1 1 42 42 ILE N N 15 128.908 0.013 . 1 . . . . 42 ILE N . 15885 1 158 . 1 1 43 43 TYR H H 1 9.312 0.0018 . 1 . . . . 43 TYR HN . 15885 1 159 . 1 1 43 43 TYR CA C 13 56.473 0.26 . 1 . . . . 43 TYR CA . 15885 1 160 . 1 1 43 43 TYR CB C 13 42.494 0.26 . 1 . . . . 43 TYR CB . 15885 1 161 . 1 1 43 43 TYR N N 15 131.813 0.013 . 1 . . . . 43 TYR N . 15885 1 162 . 1 1 44 44 GLN H H 1 8.108 0.0018 . 1 . . . . 44 GLN HN . 15885 1 163 . 1 1 44 44 GLN CA C 13 54.379 0.26 . 1 . . . . 44 GLN CA . 15885 1 164 . 1 1 44 44 GLN CB C 13 31.105 0.26 . 1 . . . . 44 GLN CB . 15885 1 165 . 1 1 44 44 GLN N N 15 126.201 0.013 . 1 . . . . 44 GLN N . 15885 1 166 . 1 1 45 45 GLU H H 1 8.717 0.0018 . 1 . . . . 45 GLU HN . 15885 1 167 . 1 1 45 45 GLU CA C 13 54.835 0.26 . 1 . . . . 45 GLU CA . 15885 1 168 . 1 1 45 45 GLU CB C 13 33.419 0.26 . 1 . . . . 45 GLU CB . 15885 1 169 . 1 1 45 45 GLU N N 15 123.087 0.013 . 1 . . . . 45 GLU N . 15885 1 170 . 1 1 46 46 LYS H H 1 8.901 0.0018 . 1 . . . . 46 LYS HN . 15885 1 171 . 1 1 46 46 LYS CA C 13 56.853 0.26 . 1 . . . . 46 LYS CA . 15885 1 172 . 1 1 46 46 LYS CB C 13 33.161 0.26 . 1 . . . . 46 LYS CB . 15885 1 173 . 1 1 46 46 LYS N N 15 130.117 0.013 . 1 . . . . 46 LYS N . 15885 1 174 . 1 1 47 47 GLN H H 1 9.095 0.0018 . 1 . . . . 47 GLN HN . 15885 1 175 . 1 1 47 47 GLN CA C 13 54.782 0.26 . 1 . . . . 47 GLN CA . 15885 1 176 . 1 1 47 47 GLN CB C 13 29.019 0.26 . 1 . . . . 47 GLN CB . 15885 1 177 . 1 1 47 47 GLN N N 15 124.299 0.013 . 1 . . . . 47 GLN N . 15885 1 178 . 1 1 48 48 GLY H H 1 7.709 0.0018 . 1 . . . . 48 GLY HN . 15885 1 179 . 1 1 48 48 GLY CA C 13 44.552 0.26 . 1 . . . . 48 GLY CA . 15885 1 180 . 1 1 48 48 GLY N N 15 109.043 0.013 . 1 . . . . 48 GLY N . 15885 1 181 . 1 1 49 49 GLU H H 1 8.488 0.0018 . 1 . . . . 49 GLU HN . 15885 1 182 . 1 1 49 49 GLU CA C 13 56.507 0.26 . 1 . . . . 49 GLU CA . 15885 1 183 . 1 1 49 49 GLU CB C 13 30.692 0.26 . 1 . . . . 49 GLU CB . 15885 1 184 . 1 1 49 49 GLU N N 15 117.271 0.013 . 1 . . . . 49 GLU N . 15885 1 185 . 1 1 50 50 GLU H H 1 8.762 0.0018 . 1 . . . . 50 GLU HN . 15885 1 186 . 1 1 50 50 GLU CA C 13 57.389 0.26 . 1 . . . . 50 GLU CA . 15885 1 187 . 1 1 50 50 GLU CB C 13 29.411 0.26 . 1 . . . . 50 GLU CB . 15885 1 188 . 1 1 50 50 GLU N N 15 120.421 0.013 . 1 . . . . 50 GLU N . 15885 1 189 . 1 1 51 51 GLU H H 1 8.959 0.0018 . 1 . . . . 51 GLU HN . 15885 1 190 . 1 1 51 51 GLU CA C 13 58.975 0.26 . 1 . . . . 51 GLU CA . 15885 1 191 . 1 1 51 51 GLU CB C 13 29.475 0.26 . 1 . . . . 51 GLU CB . 15885 1 192 . 1 1 51 51 GLU N N 15 122.360 0.013 . 1 . . . . 51 GLU N . 15885 1 193 . 1 1 52 52 ASP H H 1 8.283 0.0018 . 1 . . . . 52 ASP HN . 15885 1 194 . 1 1 52 52 ASP CA C 13 53.324 0.26 . 1 . . . . 52 ASP CA . 15885 1 195 . 1 1 52 52 ASP CB C 13 39.977 0.26 . 1 . . . . 52 ASP CB . 15885 1 196 . 1 1 52 52 ASP N N 15 116.526 0.013 . 1 . . . . 52 ASP N . 15885 1 197 . 1 1 53 53 ALA H H 1 7.186 0.0018 . 1 . . . . 53 ALA HN . 15885 1 198 . 1 1 53 53 ALA CA C 13 52.744 0.26 . 1 . . . . 53 ALA CA . 15885 1 199 . 1 1 53 53 ALA CB C 13 19.799 0.26 . 1 . . . . 53 ALA CB . 15885 1 200 . 1 1 53 53 ALA N N 15 122.117 0.013 . 1 . . . . 53 ALA N . 15885 1 201 . 1 1 54 54 GLU H H 1 8.545 0.0018 . 1 . . . . 54 GLU HN . 15885 1 202 . 1 1 54 54 GLU CA C 13 56.256 0.26 . 1 . . . . 54 GLU CA . 15885 1 203 . 1 1 54 54 GLU CB C 13 31.070 0.26 . 1 . . . . 54 GLU CB . 15885 1 204 . 1 1 54 54 GLU N N 15 121.633 0.013 . 1 . . . . 54 GLU N . 15885 1 205 . 1 1 55 55 ILE H H 1 8.309 0.0018 . 1 . . . . 55 ILE HN . 15885 1 206 . 1 1 55 55 ILE CA C 13 60.335 0.26 . 1 . . . . 55 ILE CA . 15885 1 207 . 1 1 55 55 ILE CB C 13 39.891 0.26 . 1 . . . . 55 ILE CB . 15885 1 208 . 1 1 55 55 ILE N N 15 123.315 0.013 . 1 . . . . 55 ILE N . 15885 1 209 . 1 1 56 56 ILE H H 1 8.539 0.0018 . 1 . . . . 56 ILE HN . 15885 1 210 . 1 1 56 56 ILE CA C 13 59.087 0.26 . 1 . . . . 56 ILE CA . 15885 1 211 . 1 1 56 56 ILE CB C 13 40.409 0.26 . 1 . . . . 56 ILE CB . 15885 1 212 . 1 1 56 56 ILE N N 15 124.057 0.013 . 1 . . . . 56 ILE N . 15885 1 213 . 1 1 57 57 VAL H H 1 8.704 0.0018 . 1 . . . . 57 VAL HN . 15885 1 214 . 1 1 57 57 VAL CA C 13 61.074 0.26 . 1 . . . . 57 VAL CA . 15885 1 215 . 1 1 57 57 VAL CB C 13 33.161 0.26 . 1 . . . . 57 VAL CB . 15885 1 216 . 1 1 57 57 VAL N N 15 123.329 0.013 . 1 . . . . 57 VAL N . 15885 1 217 . 1 1 58 58 LYS H H 1 9.644 0.0018 . 1 . . . . 58 LYS HN . 15885 1 218 . 1 1 58 58 LYS CA C 13 54.930 0.26 . 1 . . . . 58 LYS CA . 15885 1 219 . 1 1 58 58 LYS CB C 13 37.258 0.26 . 1 . . . . 58 LYS CB . 15885 1 220 . 1 1 58 58 LYS N N 15 130.117 0.013 . 1 . . . . 58 LYS N . 15885 1 221 . 1 1 59 59 ILE H H 1 8.009 0.0018 . 1 . . . . 59 ILE HN . 15885 1 222 . 1 1 59 59 ILE CA C 13 60.044 0.26 . 1 . . . . 59 ILE CA . 15885 1 223 . 1 1 59 59 ILE CB C 13 39.850 0.26 . 1 . . . . 59 ILE CB . 15885 1 224 . 1 1 59 59 ILE N N 15 121.634 0.013 . 1 . . . . 59 ILE N . 15885 1 225 . 1 1 60 60 PHE H H 1 9.553 0.0018 . 1 . . . . 60 PHE HN . 15885 1 226 . 1 1 60 60 PHE CA C 13 56.874 0.26 . 1 . . . . 60 PHE CA . 15885 1 227 . 1 1 60 60 PHE CB C 13 41.962 0.26 . 1 . . . . 60 PHE CB . 15885 1 228 . 1 1 60 60 PHE N N 15 126.481 0.013 . 1 . . . . 60 PHE N . 15885 1 229 . 1 1 61 61 VAL H H 1 9.226 0.0018 . 1 . . . . 61 VAL HN . 15885 1 230 . 1 1 61 61 VAL CA C 13 61.068 0.26 . 1 . . . . 61 VAL CA . 15885 1 231 . 1 1 61 61 VAL CB C 13 34.714 0.26 . 1 . . . . 61 VAL CB . 15885 1 232 . 1 1 61 61 VAL N N 15 122.117 0.013 . 1 . . . . 61 VAL N . 15885 1 233 . 1 1 62 62 GLU H H 1 8.679 0.0018 . 1 . . . . 62 GLU HN . 15885 1 234 . 1 1 62 62 GLU CA C 13 54.387 0.26 . 1 . . . . 62 GLU CA . 15885 1 235 . 1 1 62 62 GLU CB C 13 32.384 0.26 . 1 . . . . 62 GLU CB . 15885 1 236 . 1 1 62 62 GLU N N 15 128.177 0.013 . 1 . . . . 62 GLU N . 15885 1 237 . 1 1 63 63 PHE H H 1 8.722 0.0018 . 1 . . . . 63 PHE HN . 15885 1 238 . 1 1 63 63 PHE CA C 13 58.007 0.26 . 1 . . . . 63 PHE CA . 15885 1 239 . 1 1 63 63 PHE CB C 13 40.471 0.26 . 1 . . . . 63 PHE CB . 15885 1 240 . 1 1 63 63 PHE N N 15 127.450 0.013 . 1 . . . . 63 PHE N . 15885 1 241 . 1 1 64 64 SER H H 1 8.682 0.0018 . 1 . . . . 64 SER HN . 15885 1 242 . 1 1 64 64 SER CA C 13 61.623 0.26 . 1 . . . . 64 SER CA . 15885 1 243 . 1 1 64 64 SER CB C 13 64.226 0.26 . 1 . . . . 64 SER CB . 15885 1 244 . 1 1 64 64 SER N N 15 116.300 0.013 . 1 . . . . 64 SER N . 15885 1 245 . 1 1 65 65 ILE H H 1 8.018 0.0018 . 1 . . . . 65 ILE HN . 15885 1 246 . 1 1 65 65 ILE CA C 13 60.540 0.26 . 1 . . . . 65 ILE CA . 15885 1 247 . 1 1 65 65 ILE CB C 13 42.421 0.26 . 1 . . . . 65 ILE CB . 15885 1 248 . 1 1 65 65 ILE N N 15 116.542 0.013 . 1 . . . . 65 ILE N . 15885 1 249 . 1 1 66 66 ALA H H 1 8.871 0.0018 . 1 . . . . 66 ALA HN . 15885 1 250 . 1 1 66 66 ALA CA C 13 55.285 0.26 . 1 . . . . 66 ALA CA . 15885 1 251 . 1 1 66 66 ALA CB C 13 18.664 0.26 . 1 . . . . 66 ALA CB . 15885 1 252 . 1 1 66 66 ALA N N 15 126.965 0.013 . 1 . . . . 66 ALA N . 15885 1 253 . 1 1 67 67 SER H H 1 8.083 0.0018 . 1 . . . . 67 SER HN . 15885 1 254 . 1 1 67 67 SER CA C 13 60.157 0.26 . 1 . . . . 67 SER CA . 15885 1 255 . 1 1 67 67 SER CB C 13 61.634 0.26 . 1 . . . . 67 SER CB . 15885 1 256 . 1 1 67 67 SER N N 15 110.967 0.013 . 1 . . . . 67 SER N . 15885 1 257 . 1 1 68 68 GLU H H 1 7.371 0.0018 . 1 . . . . 68 GLU HN . 15885 1 258 . 1 1 68 68 GLU CA C 13 59.067 0.26 . 1 . . . . 68 GLU CA . 15885 1 259 . 1 1 68 68 GLU CB C 13 29.042 0.26 . 1 . . . . 68 GLU CB . 15885 1 260 . 1 1 68 68 GLU N N 15 124.010 0.013 . 1 . . . . 68 GLU N . 15885 1 261 . 1 1 69 69 THR H H 1 7.095 0.0018 . 1 . . . . 69 THR HN . 15885 1 262 . 1 1 69 69 THR CA C 13 66.294 0.26 . 1 . . . . 69 THR CA . 15885 1 263 . 1 1 69 69 THR CB C 13 67.848 0.26 . 1 . . . . 69 THR CB . 15885 1 264 . 1 1 69 69 THR N N 15 115.330 0.013 . 1 . . . . 69 THR N . 15885 1 265 . 1 1 70 70 HIS H H 1 7.872 0.0018 . 1 . . . . 70 HIS HN . 15885 1 266 . 1 1 70 70 HIS CA C 13 59.564 0.26 . 1 . . . . 70 HIS CA . 15885 1 267 . 1 1 70 70 HIS CB C 13 30.522 0.26 . 1 . . . . 70 HIS CB . 15885 1 268 . 1 1 70 70 HIS N N 15 117.062 0.013 . 1 . . . . 70 HIS N . 15885 1 269 . 1 1 71 71 LYS H H 1 7.461 0.0018 . 1 . . . . 71 LYS HN . 15885 1 270 . 1 1 71 71 LYS CA C 13 59.572 0.26 . 1 . . . . 71 LYS CA . 15885 1 271 . 1 1 71 71 LYS CB C 13 32.685 0.26 . 1 . . . . 71 LYS CB . 15885 1 272 . 1 1 71 71 LYS N N 15 120.433 0.013 . 1 . . . . 71 LYS N . 15885 1 273 . 1 1 72 72 ALA H H 1 7.870 0.0018 . 1 . . . . 72 ALA HN . 15885 1 274 . 1 1 72 72 ALA CA C 13 54.419 0.26 . 1 . . . . 72 ALA CA . 15885 1 275 . 1 1 72 72 ALA CB C 13 20.188 0.26 . 1 . . . . 72 ALA CB . 15885 1 276 . 1 1 72 72 ALA N N 15 122.813 0.013 . 1 . . . . 72 ALA N . 15885 1 277 . 1 1 73 73 ILE H H 1 8.146 0.0018 . 1 . . . . 73 ILE HN . 15885 1 278 . 1 1 73 73 ILE CA C 13 65.744 0.26 . 1 . . . . 73 ILE CA . 15885 1 279 . 1 1 73 73 ILE CB C 13 38.233 0.26 . 1 . . . . 73 ILE CB . 15885 1 280 . 1 1 73 73 ILE N N 15 118.393 0.013 . 1 . . . . 73 ILE N . 15885 1 281 . 1 1 74 74 GLN H H 1 7.578 0.0018 . 1 . . . . 74 GLN HN . 15885 1 282 . 1 1 74 74 GLN CA C 13 58.011 0.26 . 1 . . . . 74 GLN CA . 15885 1 283 . 1 1 74 74 GLN CB C 13 28.051 0.26 . 1 . . . . 74 GLN CB . 15885 1 284 . 1 1 74 74 GLN N N 15 116.079 0.013 . 1 . . . . 74 GLN N . 15885 1 285 . 1 1 75 75 ALA H H 1 7.246 0.0018 . 1 . . . . 75 ALA HN . 15885 1 286 . 1 1 75 75 ALA CA C 13 53.869 0.26 . 1 . . . . 75 ALA CA . 15885 1 287 . 1 1 75 75 ALA CB C 13 21.275 0.26 . 1 . . . . 75 ALA CB . 15885 1 288 . 1 1 75 75 ALA N N 15 119.447 0.013 . 1 . . . . 75 ALA N . 15885 1 289 . 1 1 76 76 LEU H H 1 8.138 0.0018 . 1 . . . . 76 LEU HN . 15885 1 290 . 1 1 76 76 LEU CA C 13 55.940 0.26 . 1 . . . . 76 LEU CA . 15885 1 291 . 1 1 76 76 LEU CB C 13 43.558 0.26 . 1 . . . . 76 LEU CB . 15885 1 292 . 1 1 76 76 LEU N N 15 116.542 0.013 . 1 . . . . 76 LEU N . 15885 1 293 . 1 1 77 77 ASN H H 1 8.374 0.0018 . 1 . . . . 77 ASN HN . 15885 1 294 . 1 1 77 77 ASN CA C 13 56.488 0.26 . 1 . . . . 77 ASN CA . 15885 1 295 . 1 1 77 77 ASN CB C 13 38.380 0.26 . 1 . . . . 77 ASN CB . 15885 1 296 . 1 1 77 77 ASN N N 15 115.533 0.013 . 1 . . . . 77 ASN N . 15885 1 297 . 1 1 78 78 GLY H H 1 8.797 0.0018 . 1 . . . . 78 GLY HN . 15885 1 298 . 1 1 78 78 GLY CA C 13 45.589 0.26 . 1 . . . . 78 GLY CA . 15885 1 299 . 1 1 78 78 GLY N N 15 116.785 0.013 . 1 . . . . 78 GLY N . 15885 1 300 . 1 1 79 79 ARG H H 1 7.681 0.0018 . 1 . . . . 79 ARG HN . 15885 1 301 . 1 1 79 79 ARG CA C 13 55.901 0.26 . 1 . . . . 79 ARG CA . 15885 1 302 . 1 1 79 79 ARG CB C 13 31.067 0.26 . 1 . . . . 79 ARG CB . 15885 1 303 . 1 1 79 79 ARG N N 15 120.975 0.013 . 1 . . . . 79 ARG N . 15885 1 304 . 1 1 80 80 TRP H H 1 8.480 0.0018 . 1 . . . . 80 TRP HN . 15885 1 305 . 1 1 80 80 TRP CA C 13 56.493 0.26 . 1 . . . . 80 TRP CA . 15885 1 306 . 1 1 80 80 TRP CB C 13 29.536 0.26 . 1 . . . . 80 TRP CB . 15885 1 307 . 1 1 80 80 TRP N N 15 122.360 0.013 . 1 . . . . 80 TRP N . 15885 1 308 . 1 1 81 81 PHE H H 1 9.627 0.0018 . 1 . . . . 81 PHE HN . 15885 1 309 . 1 1 81 81 PHE CA C 13 59.041 0.26 . 1 . . . . 81 PHE CA . 15885 1 310 . 1 1 81 81 PHE CB C 13 41.444 0.26 . 1 . . . . 81 PHE CB . 15885 1 311 . 1 1 81 81 PHE N N 15 126.481 0.013 . 1 . . . . 81 PHE N . 15885 1 312 . 1 1 82 82 ALA CA C 13 52.834 0.26 . 1 . . . . 82 ALA CA . 15885 1 313 . 1 1 83 83 GLY H H 1 8.462 0.0018 . 1 . . . . 83 GLY HN . 15885 1 314 . 1 1 83 83 GLY CA C 13 45.541 0.26 . 1 . . . . 83 GLY CA . 15885 1 315 . 1 1 83 83 GLY N N 15 103.453 0.013 . 1 . . . . 83 GLY N . 15885 1 316 . 1 1 84 84 ARG H H 1 8.122 0.0018 . 1 . . . . 84 ARG HN . 15885 1 317 . 1 1 84 84 ARG CA C 13 54.814 0.26 . 1 . . . . 84 ARG CA . 15885 1 318 . 1 1 84 84 ARG CB C 13 33.048 0.26 . 1 . . . . 84 ARG CB . 15885 1 319 . 1 1 84 84 ARG N N 15 120.836 0.013 . 1 . . . . 84 ARG N . 15885 1 320 . 1 1 85 85 LYS H H 1 8.149 0.0018 . 1 . . . . 85 LYS HN . 15885 1 321 . 1 1 85 85 LYS CA C 13 55.498 0.26 . 1 . . . . 85 LYS CA . 15885 1 322 . 1 1 85 85 LYS CB C 13 32.090 0.26 . 1 . . . . 85 LYS CB . 15885 1 323 . 1 1 85 85 LYS N N 15 124.052 0.013 . 1 . . . . 85 LYS N . 15885 1 324 . 1 1 86 86 VAL H H 1 8.675 0.0018 . 1 . . . . 86 VAL HN . 15885 1 325 . 1 1 86 86 VAL CA C 13 62.886 0.26 . 1 . . . . 86 VAL CA . 15885 1 326 . 1 1 86 86 VAL CB C 13 30.904 0.26 . 1 . . . . 86 VAL CB . 15885 1 327 . 1 1 86 86 VAL N N 15 129.389 0.013 . 1 . . . . 86 VAL N . 15885 1 328 . 1 1 87 87 VAL H H 1 8.051 0.0018 . 1 . . . . 87 VAL HN . 15885 1 329 . 1 1 87 87 VAL CA C 13 61.091 0.26 . 1 . . . . 87 VAL CA . 15885 1 330 . 1 1 87 87 VAL CB C 13 33.889 0.26 . 1 . . . . 87 VAL CB . 15885 1 331 . 1 1 87 87 VAL N N 15 127.325 0.013 . 1 . . . . 87 VAL N . 15885 1 332 . 1 1 88 88 ALA H H 1 8.676 0.0018 . 1 . . . . 88 ALA HN . 15885 1 333 . 1 1 88 88 ALA CA C 13 49.582 0.26 . 1 . . . . 88 ALA CA . 15885 1 334 . 1 1 88 88 ALA CB C 13 22.751 0.26 . 1 . . . . 88 ALA CB . 15885 1 335 . 1 1 88 88 ALA N N 15 130.825 0.013 . 1 . . . . 88 ALA N . 15885 1 336 . 1 1 89 89 GLU H H 1 8.658 0.0018 . 1 . . . . 89 GLU HN . 15885 1 337 . 1 1 89 89 GLU CA C 13 53.701 0.26 . 1 . . . . 89 GLU CA . 15885 1 338 . 1 1 89 89 GLU CB C 13 34.100 0.26 . 1 . . . . 89 GLU CB . 15885 1 339 . 1 1 89 89 GLU N N 15 118.239 0.013 . 1 . . . . 89 GLU N . 15885 1 340 . 1 1 90 90 VAL H H 1 8.439 0.0018 . 1 . . . . 90 VAL HN . 15885 1 341 . 1 1 90 90 VAL CA C 13 63.132 0.26 . 1 . . . . 90 VAL CA . 15885 1 342 . 1 1 90 90 VAL CB C 13 32.526 0.26 . 1 . . . . 90 VAL CB . 15885 1 343 . 1 1 90 90 VAL N N 15 121.132 0.013 . 1 . . . . 90 VAL N . 15885 1 344 . 1 1 91 91 TYR H H 1 8.789 0.0018 . 1 . . . . 91 TYR HN . 15885 1 345 . 1 1 91 91 TYR CA C 13 56.855 0.26 . 1 . . . . 91 TYR CA . 15885 1 346 . 1 1 91 91 TYR CB C 13 42.235 0.26 . 1 . . . . 91 TYR CB . 15885 1 347 . 1 1 91 91 TYR N N 15 129.874 0.013 . 1 . . . . 91 TYR N . 15885 1 348 . 1 1 92 92 ASP H H 1 7.500 0.0018 . 1 . . . . 92 ASP HN . 15885 1 349 . 1 1 92 92 ASP CA C 13 55.940 0.26 . 1 . . . . 92 ASP CA . 15885 1 350 . 1 1 92 92 ASP CB C 13 42.479 0.26 . 1 . . . . 92 ASP CB . 15885 1 351 . 1 1 92 92 ASP N N 15 127.208 0.013 . 1 . . . . 92 ASP N . 15885 1 352 . 1 1 93 93 GLN H H 1 8.627 0.0018 . 1 . . . . 93 GLN HN . 15885 1 353 . 1 1 93 93 GLN CA C 13 59.046 0.26 . 1 . . . . 93 GLN CA . 15885 1 354 . 1 1 93 93 GLN CB C 13 29.970 0.26 . 1 . . . . 93 GLN CB . 15885 1 355 . 1 1 93 93 GLN N N 15 129.147 0.013 . 1 . . . . 93 GLN N . 15885 1 356 . 1 1 94 94 GLU H H 1 8.000 0.0018 . 1 . . . . 94 GLU HN . 15885 1 357 . 1 1 94 94 GLU CA C 13 59.046 0.26 . 1 . . . . 94 GLU CA . 15885 1 358 . 1 1 94 94 GLU CB C 13 29.375 0.26 . 1 . . . . 94 GLU CB . 15885 1 359 . 1 1 94 94 GLU N N 15 119.465 0.013 . 1 . . . . 94 GLU N . 15885 1 360 . 1 1 95 95 ARG H H 1 8.147 0.0018 . 1 . . . . 95 ARG HN . 15885 1 361 . 1 1 95 95 ARG CA C 13 60.082 0.26 . 1 . . . . 95 ARG CA . 15885 1 362 . 1 1 95 95 ARG CB C 13 34.820 0.26 . 1 . . . . 95 ARG CB . 15885 1 363 . 1 1 95 95 ARG N N 15 118.708 0.013 . 1 . . . . 95 ARG N . 15885 1 364 . 1 1 96 96 PHE H H 1 8.356 0.0018 . 1 . . . . 96 PHE HN . 15885 1 365 . 1 1 96 96 PHE CA C 13 62.600 0.26 . 1 . . . . 96 PHE CA . 15885 1 366 . 1 1 96 96 PHE CB C 13 30.192 0.26 . 1 . . . . 96 PHE CB . 15885 1 367 . 1 1 96 96 PHE N N 15 120.382 0.013 . 1 . . . . 96 PHE N . 15885 1 368 . 1 1 97 97 ASP H H 1 9.362 0.0018 . 1 . . . . 97 ASP HN . 15885 1 369 . 1 1 97 97 ASP CA C 13 56.937 0.26 . 1 . . . . 97 ASP CA . 15885 1 370 . 1 1 97 97 ASP CB C 13 39.891 0.26 . 1 . . . . 97 ASP CB . 15885 1 371 . 1 1 97 97 ASP N N 15 122.845 0.013 . 1 . . . . 97 ASP N . 15885 1 372 . 1 1 98 98 ASN H H 1 7.567 0.0018 . 1 . . . . 98 ASN HN . 15885 1 373 . 1 1 98 98 ASN CA C 13 52.863 0.26 . 1 . . . . 98 ASN CA . 15885 1 374 . 1 1 98 98 ASN CB C 13 38.850 0.26 . 1 . . . . 98 ASN CB . 15885 1 375 . 1 1 98 98 ASN N N 15 117.809 0.013 . 1 . . . . 98 ASN N . 15885 1 376 . 1 1 99 99 SER H H 1 8.043 0.0018 . 1 . . . . 99 SER HN . 15885 1 377 . 1 1 99 99 SER CA C 13 59.075 0.26 . 1 . . . . 99 SER CA . 15885 1 378 . 1 1 99 99 SER CB C 13 61.158 0.26 . 1 . . . . 99 SER CB . 15885 1 379 . 1 1 99 99 SER N N 15 112.673 0.013 . 1 . . . . 99 SER N . 15885 1 380 . 1 1 100 100 ASP H H 1 8.355 0.0018 . 1 . . . . 100 ASP HN . 15885 1 381 . 1 1 100 100 ASP CA C 13 52.331 0.26 . 1 . . . . 100 ASP CA . 15885 1 382 . 1 1 100 100 ASP CB C 13 39.955 0.26 . 1 . . . . 100 ASP CB . 15885 1 383 . 1 1 100 100 ASP N N 15 117.269 0.013 . 1 . . . . 100 ASP N . 15885 1 384 . 1 1 101 101 LEU H H 1 8.321 0.0018 . 1 . . . . 101 LEU HN . 15885 1 385 . 1 1 101 101 LEU CA C 13 53.267 0.26 . 1 . . . . 101 LEU CA . 15885 1 386 . 1 1 101 101 LEU CB C 13 37.229 0.26 . 1 . . . . 101 LEU CB . 15885 1 387 . 1 1 101 101 LEU N N 15 127.928 0.013 . 1 . . . . 101 LEU N . 15885 1 388 . 1 1 102 102 SER H H 1 7.907 0.0018 . 1 . . . . 102 SER HN . 15885 1 389 . 1 1 102 102 SER CA C 13 60.600 0.26 . 1 . . . . 102 SER CA . 15885 1 390 . 1 1 102 102 SER CB C 13 65.170 0.26 . 1 . . . . 102 SER CB . 15885 1 391 . 1 1 102 102 SER N N 15 113.620 0.013 . 1 . . . . 102 SER N . 15885 1 392 . 1 1 103 103 ALA H H 1 8.002 0.0018 . 1 . . . . 103 ALA HN . 15885 1 393 . 1 1 103 103 ALA CA C 13 52.834 0.26 . 1 . . . . 103 ALA CA . 15885 1 394 . 1 1 103 103 ALA CB C 13 19.182 0.26 . 1 . . . . 103 ALA CB . 15885 1 395 . 1 1 103 103 ALA N N 15 131.571 0.013 . 1 . . . . 103 ALA N . 15885 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 15885 _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 1 _Spectral_peak_list.Experiment_name '3D HNCACB' _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data ; 0 0.749 0.749 0.000 1 2 {?} {58.hn} 9.643 0.048 0.055 {++} 0.000 0 0 51 {?} {57.ca} 61.031 0.620 0.698 {+P} 0.000 0 0 0 {?} {58.n} 130.013 0.451 0.521 {++} 0.000 0 0 0 {?} 1 1.294 0.000 0.000 0 2 {?} {58.hn} 9.645 0.040 0.060 {++} 0.000 b:cacbconh.71.1 0 51 {?} {58.ca} 55.048 0.585 0.874 {+P} 0.000 0 0 0 {?} {58.n} 130.211 0.415 0.656 {++} 0.000 0 0 0 {?} 2 1.888 0.000 0.000 0 2 {?} {81.hn} 9.637 0.043 0.114 {P+} 0.000 b:cacbconh.75.1 a:hncacb.142.1 54 {?} {81.ca} 59.041 0.767 1.553 {PP} 0.000 0 0 0 {?} {81.n} 126.386 0.587 1.073 {++} 0.000 b:cacbconh.75.3 a:hncacb.142.3 0 {?} 3 1.327 0.000 0.000 -1 2 {?} {?} 9.554 0.045 0.067 {++} 0.000 b:hncacb.133.1 0 52 {?} {?} 60.129 0.643 0.969 {+P} 0.000 0 0 0 {?} {?} 126.213 0.630 0.921 {++} 0.000 b:hncacb.133.3 0 0 {?} 4 2.979 0.000 0.000 -1 2 {?} {?} 9.554 0.044 0.092 {+P} 0.000 b:ca_hncacb.5.1 a:cacbconh.72.1 52 {?} {?} 57.047 0.634 1.553 {PP} 0.000 0 0 0 {?} {?} 126.133 0.448 1.194 {++} 0.000 b:ca_hncacb.5.3 a:cacbconh.72.3 0 {?} 5 -0.329 0.000 0.000 -1 2 {?} {?} 9.553 0.000 0.000 {NN} 0.000 b:cbcaconh.61.1 a:ca_hncacb.4.1 52 {?} {?} 55.476 0.009 0.006 {NN} 0.000 0 0 0 {?} {?} 126.119 0.065 0.001 {NN} 0.000 b:cbcaconh.61.3 a:ca_hncacb.4.3 0 {?} 6 1.861 0.000 0.000 0 2 {?} {11.hn} 9.590 0.045 0.084 {++} 0.000 b:ca_hncacb.7.1 a:hncacb.135.1 53 {?} {11.ca} 54.368 0.723 1.553 {PP} 0.000 0 0 0 {?} {11.n} 124.011 0.542 1.212 {P+} 0.000 b:ca_hncacb.7.3 a:hncacb.135.3 0 {?} 7 0.790 0.000 0.000 0 2 {?} {11.hn} 9.590 0.045 0.052 {++} 0.000 b:cacbconh.73.1 a:ca_hncacb.6.1 53 {?} {10.ca} 52.810 0.706 0.827 {++} 0.000 0 0 0 {?} {11.n} 123.949 0.727 0.727 {+P} 0.000 b:cacbconh.73.3 a:ca_hncacb.6.3 0 {?} 8 3.294 0.000 0.000 -1 0 {?} {?} 8.679 0.042 0.215 {P+} 0.000 0 0 0 {?} {?} 49.633 0.597 1.553 {PP} 0.000 0 0 0 {?} {?} 130.844 0.470 0.470 {E+} 0.000 0 0 0 {?} 9 1.278 0.000 0.000 -1 0 {?} {?} 8.679 0.046 0.103 {++} 0.000 0 0 0 {?} {?} 61.016 0.597 1.553 {PP} 0.000 0 0 0 {?} {?} 130.844 0.455 0.455 {E+} 0.000 0 0 0 {?} 10 0.616 0.000 0.000 -1 2 {?} {?} 8.894 0.020 0.020 {+E} 0.000 0 a:ca_hncacb.11.1 125 {?} {?} 56.976 0.518 0.518 {EP} 0.000 0 0 0 {?} {?} 130.117 0.406 0.406 {E+} 0.000 0 0 0 {?} 11 0.184 0.000 0.000 -1 2 {?} {?} 8.894 0.011 0.011 {+E} 0.000 b:ca_hncacb.10.1 0 125 {?} {?} 54.905 0.471 0.471 {EP} 0.000 0 0 0 {?} {?} 130.117 0.221 0.221 {EP} 0.000 0 0 0 {?} 12 0.540 0.000 0.000 0 2 {?} {91.hn} 8.788 0.033 0.056 {++} 0.000 b:cacbconh.10.1 a:ca_hncacb.13.1 2 {?} {91.ca} 56.855 0.345 0.577 {P+} 0.000 0 0 0 {?} {91.n} 129.874 0.405 0.405 {E+} 0.000 b:cacbconh.10.3 a:ca_hncacb.13.3 0 {?} 13 0.281 0.000 0.000 0 2 {?} {91.hn} 8.788 0.037 0.046 {++} 0.000 b:ca_hncacb.12.1 0 2 {?} {90.ca} 63.172 0.333 0.518 {P+} 0.000 0 0 0 {?} {91.n} 129.874 0.312 0.312 {E+} 0.000 b:ca_hncacb.12.3 0 0 {?} 14 0.356 0.000 0.000 0 2 {?} {86.hn} 8.676 0.036 0.063 {P+} 0.000 b:ca_hncacb.15.1 0 3 {?} {85.ca} 55.570 0.472 0.694 {P+} 0.000 0 0 0 {?} {86.n} 129.389 0.356 0.356 {E+} 0.000 b:ca_hncacb.15.3 0 0 {?} 15 0.868 0.000 0.000 0 2 {?} {86.hn} 8.676 0.037 0.089 {+P} 0.000 b:hncacb.63.1 a:ca_hncacb.14.1 3 {?} {86.ca} 62.634 0.511 0.904 {P+} 0.000 0 0 0 {?} {86.n} 129.389 0.426 0.429 {E+} 0.000 b:hncacb.63.3 a:ca_hncacb.14.3 0 {?} 16 3.121 0.000 0.000 -1 0 {?} {?} 8.680 0.043 0.190 {P+} 0.000 0 0 0 {?} {?} 54.439 0.652 1.553 {PP} 0.000 0 0 0 {?} {?} 127.935 0.469 0.469 {E+} 0.000 0 0 0 {?} 17 1.568 0.000 0.000 -1 0 {?} {?} 8.679 0.043 0.097 {++} 0.000 0 0 0 {?} {?} 61.154 0.693 1.553 {PP} 0.000 0 0 0 {?} {?} 127.935 0.460 0.460 {E+} 0.000 0 0 0 {?} 18 2.192 0.000 0.000 -1 0 {?} {?} 8.911 0.036 0.139 {P+} 0.000 0 0 0 {?} {?} 50.269 0.481 0.922 {P+} 0.000 0 0 0 {?} {?} 125.753 0.465 0.465 {E+} 0.000 0 0 0 {?} 19 0.965 0.000 0.000 -1 0 {?} {?} 8.911 0.035 0.083 {++} 0.000 0 0 0 {?} {?} 57.289 0.508 0.911 {P+} 0.000 0 0 0 {?} {?} 125.753 0.435 0.435 {E+} 0.000 0 0 0 {?} 20 2.398 0.000 0.000 0 2 {?} {15.hn} 8.911 0.036 0.100 {P+} 0.000 b:cbcaconh.6.1 a:ca_hncacb.22.1 6 {?} {15.ca} 51.798 0.518 0.518 {PP} 0.000 0 0 0 {?} {15.n} 125.753 0.465 0.465 {E+} 0.000 b:cbcaconh.6.3 a:ca_hncacb.22.3 0 {?} 21 0.965 0.000 0.000 -1 0 {?} {?} 8.911 0.035 0.089 {P+} 0.000 0 0 0 {?} {?} 59.046 0.518 0.518 {PP} 0.000 0 0 0 {?} {?} 125.753 0.435 0.435 {E+} 0.000 0 0 0 {?} 22 0.145 0.000 0.000 0 2 {?} {15.hn} 8.911 0.035 0.089 {P+} 0.000 b:ca_hncacb.20.1 a:hncacb.66.1 6 {?} {14.ca} 59.046 0.518 0.518 {PP} 0.000 0 0 0 {?} {15.n} 125.753 0.435 0.435 {E+} 0.000 b:ca_hncacb.20.3 a:hncacb.66.3 0 {?} 23 5.356 0.000 0.000 1 2 {?} {45.hn} 8.717 0.014 0.063 {PE} 0.000 b:hncacb.74.1 0 71 {?} {44.ca} 54.333 1.016 1.016 {EP} 0.000 0 0 0 {?} {45.n} 123.087 0.476 0.476 {E+} 0.000 b:hncacb.74.3 0 0 {?} 24 2.852 0.000 0.000 1 2 {?} {57.hn} 8.717 0.020 0.024 {+E} 0.000 b:cacbconh.16.1 a:ca_hncacb.25.1 7 {?} {57.ca} 61.117 0.999 0.999 {EP} 0.000 0 0 0 {?} {57.n} 123.230 0.450 1.697 {PP} 0.000 0 0 0 {?} 25 1.005 0.000 0.000 1 2 {?} {57.hn} 8.720 0.037 0.083 {++} 0.000 b:ca_hncacb.24.1 0 7 {?} {56.ca} 59.004 0.701 1.553 {PP} 0.000 0 0 0 {?} {57.n} 123.329 0.437 0.437 {EP} 0.000 0 0 0 {?} 26 0.361 0.000 0.000 0 2 {?} {51.hn} 8.958 0.050 0.080 {++} 0.000 b:cacbconh.17.1 a:ca_hncacb.27.1 8 {?} {50.ca} 57.411 0.658 1.553 {P+} 0.000 0 0 0 {?} {51.n} 122.360 0.351 0.351 {EP} 0.000 b:cacbconh.17.3 a:ca_hncacb.27.3 0 {?} 27 0.398 0.000 0.000 0 2 {?} {51.hn} 8.958 0.056 0.098 {++} 0.000 b:ca_hncacb.26.1 a:hncacb.75.1 8 {?} {51.ca} 58.926 0.522 1.553 {P+} 0.000 0 0 0 {?} {51.n} 122.360 0.646 1.212 {PE} 0.000 b:ca_hncacb.26.3 a:hncacb.75.3 0 {?} 28 4.641 0.000 0.000 -1 2 {?} {?} 8.764 0.032 0.241 {P+} 0.000 b:hncacb.172.1 0 9 {?} {?} 57.359 0.491 0.518 {+P} 0.000 0 0 0 {?} {?} 120.178 0.462 0.462 {+E} 0.000 b:hncacb.172.3 0 0 {?} 29 1.485 0.000 0.000 0 2 {?} {27.hn} 8.658 0.033 0.087 {++} 0.000 b:ca_hncacb.30.1 a:hncacb.80.1 10 {?} {26.ca} 59.458 0.602 1.553 {PP} 0.000 0 0 0 {?} {27.n} 120.178 0.480 0.480 {+E} 0.000 b:ca_hncacb.30.3 a:hncacb.80.3 0 {?} 30 4.496 0.000 0.000 0 2 {?} {27.hn} 8.657 0.033 0.134 {++} 0.000 b:cacbconh.19.1 a:ca_hncacb.29.1 10 {?} {27.ca} 66.739 0.648 1.553 {PP} 0.000 0 0 0 {?} {27.n} 120.178 0.454 0.454 {+E} 0.000 b:cacbconh.19.3 a:ca_hncacb.29.3 0 {?} 31 1.874 0.000 0.000 0 2 {?} {12.hn} 8.878 0.036 0.091 {++} 0.000 b:cbcaconh.12.1 a:hncacb.84.1 12 {?} {12.ca} 54.519 0.583 1.553 {PP} 0.000 0 0 0 {?} {12.n} 117.027 0.457 0.457 {+E} 0.000 b:cbcaconh.12.3 a:hncacb.84.3 0 {?} 32 2.873 0.000 0.000 0 2 {?} {64.hn} 8.678 0.039 0.098 {++} 0.000 0 a:ca_hncacb.33.1 72 {?} {63.ca} 58.002 0.518 1.553 {PP} 0.000 0 0 0 {?} {64.n} 116.300 0.458 0.458 {+E} 0.000 0 a:ca_hncacb.33.3 0 {?} 33 2.539 0.000 0.000 0 2 {?} {64.hn} 8.678 0.036 0.165 {P+} 0.000 b:ca_hncacb.32.1 a:cbcaconh.82.1 72 {?} {64.ca} 61.623 0.572 1.553 {PP} 0.000 0 0 0 {?} {64.n} 116.300 0.588 2.182 {PE} 0.000 b:ca_hncacb.32.3 a:cbcaconh.82.3 0 {?} 34 1.285 0.000 0.000 0 2 {?} {78.hn} 8.797 0.043 0.098 {++} 0.000 b:hncacb.87.1 a:ca_hncacb.35.1 14 {?} {77.ca} 56.518 0.660 1.553 {PP} 0.000 0 0 0 {?} {78.n} 116.785 0.427 0.427 {+E} 0.000 b:hncacb.87.3 a:ca_hncacb.35.3 0 {?} 35 3.554 0.000 0.000 0 2 {?} {78.hn} 8.798 0.039 0.215 {P+} 0.000 b:ca_hncacb.34.1 0 14 {?} {78.ca} 45.648 0.652 1.553 {PP} 0.000 0 0 0 {?} {78.n} 116.785 0.471 0.471 {EP} 0.000 b:ca_hncacb.34.3 0 0 {?} 36 1.230 0.000 0.000 0 2 {?} {25.hn} 8.678 0.042 0.094 {++} 0.000 b:hncacb.88.1 a:ca_hncacb.37.1 16 {?} {24.ca} 61.117 0.968 0.968 {EP} 0.000 0 0 0 {?} {25.n} 110.725 0.425 0.425 {+E} 0.000 b:hncacb.88.3 a:ca_hncacb.37.3 0 {?} 37 6.998 0.000 0.000 0 2 {?} {25.hn} 8.679 0.042 0.215 {P+} 0.000 b:ca_hncacb.36.1 0 16 {?} {25.ca} 47.139 1.021 1.021 {EP} 0.000 0 0 0 {?} {25.n} 110.725 0.477 0.477 {+E} 0.000 b:ca_hncacb.36.3 0 0 {?} 38 1.458 0.000 0.000 0 2 {?} {101.hn} 8.322 0.017 0.049 {++} 0.000 b:ca_hncacb.39.1 0 19 {?} {100.ca} 52.192 0.254 0.692 {PP} 0.000 0 0 0 {?} {101.n} 127.935 0.452 0.452 {EP} 0.000 b:ca_hncacb.39.3 0 0 {?} 39 0.587 0.000 0.000 0 2 {?} {101.hn} 8.322 0.040 0.118 {++} 0.000 b:hncacb.89.1 a:ca_hncacb.38.1 19 {?} {101.ca} 53.183 0.570 1.553 {PP} 0.000 0 0 0 {?} {101.n} 127.935 0.452 0.452 {EP} 0.000 b:hncacb.89.3 a:ca_hncacb.38.3 0 {?} 40 0.997 0.000 0.000 0 2 {?} {87.hn} 8.052 0.037 0.084 {++} 0.000 b:ca_hncacb.41.1 a:cbcaconh.25.1 20 {?} {86.ca} 63.138 0.703 1.553 {PP} 0.000 0 0 0 {?} {87.n} 127.208 0.438 0.438 {E+} 0.000 b:ca_hncacb.41.3 a:cbcaconh.25.3 0 {?} 41 2.036 0.000 0.000 0 2 {?} {87.hn} 8.052 0.035 0.092 {++} 0.000 b:cacbconh.32.1 a:ca_hncacb.40.1 20 {?} {87.ca} 61.068 0.692 1.553 {PP} 0.000 0 0 0 {?} {87.n} 127.208 0.461 0.461 {EP} 0.000 b:cacbconh.32.3 a:ca_hncacb.40.3 0 {?} 42 3.434 0.000 0.000 0 2 {?} {20.hn} 7.518 0.037 0.215 {P+} 0.000 b:ca_hncacb.43.1 a:cacbconh.126.1 21 {?} {20.ca} 53.021 0.524 1.018 {+P} 0.000 0 0 0 {?} {20.n} 126.965 0.471 0.471 {EP} 0.000 b:ca_hncacb.43.3 a:cacbconh.126.3 0 {?} 43 0.886 0.000 0.000 0 2 {?} {20.hn} 7.516 0.040 0.085 {++} 0.000 b:hncacb.2.1 a:ca_hncacb.42.1 21 {?} {19.ca} 63.910 0.537 0.952 {+P} 0.000 0 0 0 {?} {20.n} 126.965 0.430 0.430 {E+} 0.000 b:hncacb.2.3 a:ca_hncacb.42.3 0 {?} 44 3.583 0.000 0.000 0 2 {?} {44.hn} 8.109 0.042 0.165 {P+} 0.000 b:cbcaconh.27.1 a:ca_hncacb.45.1 22 {?} {44.ca} 54.425 0.686 1.553 {PP} 0.000 0 0 0 {?} {44.n} 126.238 0.471 0.471 {EP} 0.000 b:cbcaconh.27.3 a:ca_hncacb.45.3 0 {?} 45 2.392 0.000 0.000 0 2 {?} {44.hn} 8.109 0.043 0.106 {++} 0.000 b:ca_hncacb.44.1 0 22 {?} {43.ca} 56.489 0.705 1.553 {PP} 0.000 0 0 0 {?} {44.n} 126.238 0.465 0.465 {EP} 0.000 b:ca_hncacb.44.3 0 0 {?} 46 2.688 0.000 0.000 -1 2 {?} {?} 8.385 0.038 0.113 {++} 0.000 b:hncacb.4.1 a:ca_hncacb.47.1 23 {?} {?} 51.913 0.596 1.553 {PP} 0.000 0 0 0 {?} {?} 124.784 0.467 0.467 {E+} 0.000 b:hncacb.4.3 a:ca_hncacb.47.3 0 {?} 47 3.767 0.000 0.000 -1 2 {?} {?} 8.386 0.039 0.115 {++} 0.000 b:ca_hncacb.46.1 a:cacbconh.37.1 23 {?} {?} 62.789 0.577 1.553 {PP} 0.000 0 0 0 {?} {?} 124.784 0.472 0.472 {EP} 0.000 b:ca_hncacb.46.3 a:cacbconh.37.3 0 {?} 48 5.195 0.000 0.000 0 2 {?} {85.hn} 8.149 0.039 0.190 {P+} 0.000 b:hncacb.6.1 0 24 {?} {85.ca} 55.425 0.772 1.553 {PP} 0.000 0 0 0 {?} {85.n} 124.057 0.475 0.475 {E+} 0.000 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b:hncacb.220.3 a:ca_hncacb.204.3 0 {?} 206 5.604 0.000 0.000 0 2 {?} {65.hn} 8.018 0.039 0.139 {PP} 0.000 b:ca_hncacb.207.1 a:hncacb.222.1 92 {?} {65.ca} 60.600 0.583 1.009 {EP} 0.000 0 0 0 {?} {65.n} 116.542 0.468 0.468 {+E} 0.000 b:ca_hncacb.207.3 a:hncacb.222.3 0 {?} 207 -0.745 0.000 0.000 0 2 {?} {65.hn} 8.018 0.033 0.053 {++} 0.000 b:cacbconh.121.1 a:ca_hncacb.206.1 92 {?} {64.ca} 61.622 0.544 0.835 {E+} 0.000 0 0 0 {?} {65.n} 116.542 0.422 0.422 {+E} 0.000 b:cacbconh.121.3 a:ca_hncacb.206.3 0 {?} 208 5.060 0.000 0.000 0 2 {?} {30.hn} 7.999 0.032 0.126 {P+} 0.000 b:cacbconh.122.1 a:hncacb.28.1 93 {?} {30.ca} 59.046 0.572 1.008 {EP} 0.000 0 0 0 {?} {30.n} 119.451 0.450 0.483 {+E} 0.000 b:cacbconh.122.3 a:hncacb.28.3 0 {?} 209 0.556 0.000 0.000 0 2 {?} {103.hn} 8.004 0.034 0.048 {++} 0.000 b:ca_hncacb.210.1 a:cbcaconh.106.1 94 {?} {102.ca} 60.600 0.875 1.553 {PE} 0.000 0 0 0 {?} {103.n} 131.571 0.359 0.359 {E+} 0.000 b:ca_hncacb.210.3 a:cbcaconh.106.3 0 {?} 210 3.061 0.000 0.000 0 2 {?} {103.hn} 8.003 0.036 0.139 {P+} 0.000 b:cacbconh.123.1 a:ca_hncacb.209.1 94 {?} {103.ca} 52.834 0.839 1.600 {PE} 0.000 0 0 0 {?} {103.n} 131.571 0.462 0.462 {E+} 0.000 b:cacbconh.123.3 a:ca_hncacb.209.3 0 {?} 211 1.981 0.000 0.000 0 2 {?} {79.hn} 7.681 0.034 0.098 {++} 0.000 b:hncacb.19.1 a:ca_hncacb.212.1 107 {?} {78.ca} 45.529 0.648 1.553 {PP} 0.000 0 0 0 {?} {79.n} 120.905 0.450 0.450 {E+} 0.000 b:hncacb.19.3 a:ca_hncacb.212.3 0 {?} 212 6.407 0.000 0.000 0 2 {?} {79.hn} 7.681 0.034 0.139 {PP} 0.000 b:ca_hncacb.211.1 a:cacbconh.51.1 107 {?} {79.ca} 55.901 0.686 1.553 {PP} 0.000 0 0 0 {?} {79.n} 120.905 0.592 1.212 {PE} 0.000 b:ca_hncacb.211.3 a:cacbconh.51.3 0 {?} 213 6.094 0.000 0.000 0 2 {?} {74.hn} 7.578 0.036 0.114 {PP} 0.000 b:ca_hncacb.214.1 a:hncacb.46.1 95 {?} {74.ca} 58.011 1.011 1.011 {EP} 0.000 0 0 0 {?} {74.n} 116.057 0.443 0.476 {+E} 0.000 b:ca_hncacb.214.3 a:hncacb.46.3 0 {?} 214 1.795 0.000 0.000 0 2 {?} {74.hn} 7.578 0.037 0.081 {++} 0.000 b:hncacb.45.1 a:ca_hncacb.213.1 95 {?} {73.ca} 65.777 0.946 0.952 {EP} 0.000 0 0 0 {?} {74.n} 116.057 0.434 0.434 {+E} 0.000 b:hncacb.45.3 a:ca_hncacb.213.3 0 {?} 215 3.786 0.000 0.000 0 2 {?} {92.hn} 7.494 0.030 0.114 {PP} 0.000 b:cacbconh.127.1 a:hncacb.225.1 96 {?} {92.ca} 55.940 0.912 1.755 {PE} 0.000 0 0 0 {?} {92.n} 127.208 0.466 0.466 {EP} 0.000 b:cacbconh.127.3 a:hncacb.225.3 0 {?} 216 0.798 0.000 0.000 0 2 {?} {23.hn} 7.505 0.026 0.050 {++} 0.000 b:hncacb.226.1 a:ca_hncacb.217.1 97 {?} {22.ca} 55.263 0.512 0.841 {P+} 0.000 0 0 0 {?} {23.n} 123.572 0.398 0.398 {E+} 0.000 b:hncacb.226.3 a:ca_hncacb.217.3 0 {?} 217 3.628 0.000 0.000 0 2 {?} {23.hn} 7.505 0.035 0.114 {P+} 0.000 b:ca_hncacb.216.1 0 97 {?} {23.ca} 58.724 0.518 1.010 {P+} 0.000 0 0 0 {?} {23.n} 123.572 0.466 0.466 {EP} 0.000 b:ca_hncacb.216.3 0 0 {?} 218 8.509 0.000 0.000 0 2 {?} {71.hn} 7.461 0.038 0.139 {PP} 0.000 b:hncacb.24.1 a:hncacb.25.1 98 {?} {71.ca} 59.564 1.018 1.018 {EP} 0.000 0 0 0 {?} {71.n} 120.421 0.472 0.472 {+E} 0.000 b:hncacb.24.3 a:hncacb.25.3 0 {?} 219 12.622 0.000 0.000 0 2 {?} {35.hn} 7.426 0.034 0.114 {PP} 0.000 b:hncacb.227.1 a:ca_hncacb.220.1 99 {?} {35.ca} 45.068 0.705 1.024 {EP} 0.000 0 0 0 {?} {35.n} 104.665 0.477 0.477 {+E} 0.000 b:hncacb.227.3 a:ca_hncacb.220.3 0 {?} 220 0.911 0.000 0.000 0 2 {?} {35.hn} 7.426 0.037 0.073 {++} 0.000 b:ca_hncacb.219.1 0 99 {?} {34.ca} 57.493 0.669 0.872 {EP} 0.000 0 0 0 {?} {35.n} 104.665 0.412 0.412 {+E} 0.000 b:ca_hncacb.219.3 0 0 {?} 221 1.426 0.000 0.000 0 2 {?} {69.hn} 7.093 0.037 0.076 {++} 0.000 b:hncacb.229.1 a:ca_hncacb.222.1 100 {?} {68.ca} 59.046 0.931 0.931 {EP} 0.000 0 0 0 {?} {69.n} 115.330 0.372 0.372 {+E} 0.000 b:hncacb.229.3 a:ca_hncacb.222.3 0 {?} 222 2.837 0.000 0.000 0 2 {?} {69.hn} 7.095 0.038 0.120 {P+} 0.000 b:ca_hncacb.221.1 0 100 {?} {69.ca} 66.294 0.983 0.983 {EP} 0.000 0 0 0 {?} {69.n} 115.330 0.416 0.416 {+E} 0.000 b:ca_hncacb.221.3 0 0 {?} 223 2.061 0.000 0.000 0 2 {?} {33.hn} 7.047 0.034 0.101 {P+} 0.000 b:cacbconh.132.1 a:ca_hncacb.224.1 118 {?} {32.ca} 45.627 0.682 1.553 {PP} 0.000 0 0 0 {?} {33.n} 117.754 0.451 0.451 {E+} 0.000 b:cacbconh.132.3 a:ca_hncacb.224.3 0 {?} 224 4.357 0.000 0.000 0 2 {?} {33.hn} 7.048 0.033 0.114 {PP} 0.000 b:ca_hncacb.223.1 a:hncacb.230.1 118 {?} {33.ca} 58.077 0.640 1.553 {PP} 0.000 0 0 0 {?} {33.n} 117.754 0.466 0.466 {+E} 0.000 b:ca_hncacb.223.3 a:hncacb.230.3 0 {?} 225 1.105 0.000 0.000 0 2 {?} {14.hn} 6.812 0.040 0.090 {P+} 0.000 b:cacbconh.133.1 a:hncacb.231.1 101 {?} {14.ca} 58.529 0.900 0.900 {EP} 0.000 0 0 0 {?} {14.n} 106.846 0.380 0.380 {+E} 0.000 b:cacbconh.133.3 a:hncacb.231.3 0 {?} 226 0.288 0.288 0.000 0 2 {?} {?} 7.436 0.036 0.047 {++} 0.000 0 0 112 {?} {?} 55.923 0.524 0.796 {++} 0.000 0 0 0 {?} {?} 114.603 0.404 0.404 {+E} 0.000 0 0 0 {?} 227 0.203 0.000 0.000 0 0 {?} {67.hn} 8.085 0.049 0.049 {++} 0.000 0 0 0 {?} {67.ca} 60.600 0.518 0.518 {EP} 0.000 0 0 0 {?} {67.n} 110.967 0.231 0.231 {+E} 0.000 0 0 0 {?} 228 0.135 0.000 0.000 0 0 {?} {67.hn} 8.085 0.017 0.010 {+N} 0.000 0 0 0 {?} {66.ca} 55.241 0.290 0.290 {EP} 0.000 0 0 0 {?} {67.n} 110.967 0.188 0.188 {+E} 0.000 0 0 0 {?} 229 1.888 0.000 0.000 0 0 {?} {?} 9.637 0.043 0.147 {P+} 0.000 0 0 0 {?} {?} 56.470 0.767 1.553 {PE} 0.000 0 0 0 {?} {?} 126.481 0.459 0.459 {E+} 0.000 0 0 0 {?} 230 2.847 0.000 0.000 0 0 {?} {83.hn} 8.463 0.041 0.077 {++} 0.000 0 0 0 {?} {83.ca} 45.586 0.945 0.945 {EP} 0.000 0 0 0 {?} {83.n} 103.453 0.437 0.437 {+E} 0.000 0 0 0 {?} 231 0.593 0.000 0.000 0 0 {?} {83.hn} 8.464 0.040 0.044 {++} 0.000 0 0 0 {?} {82.ca} 52.834 0.601 0.601 {EP} 0.000 0 0 0 {?} {83.n} 103.453 0.271 0.271 {+E} 0.000 0 0 0 {?} 232 3.010 0.000 0.000 1 0 {?} {93.hn} 8.628 0.041 0.114 {PP} 0.000 0 0 0 {?} {93.ca} 59.046 1.553 2.232 {PE} 0.000 0 0 0 {?} {93.n} 129.147 0.465 0.465 {E+} 0.000 0 0 0 {?} 233 1.951 0.000 0.000 1 0 {?} {93.hn} 8.628 0.040 0.114 {PP} 0.000 0 0 0 {?} {92.ca} 55.940 1.553 2.377 {PE} 0.000 0 0 0 {?} {93.n} 129.147 0.381 0.456 {E+} 0.000 0 0 0 {?} 234 0.378 0.000 0.000 0 0 {?} {3.hn} 8.513 0.048 0.063 {++} 0.000 0 0 0 {?} {2.ca} 53.042 0.549 0.750 {+P} 0.000 0 0 0 {?} {3.n} 119.209 0.362 0.362 {+E} 0.000 0 0 0 {?} 235 0.576 0.000 0.000 1 0 {?} {3.hn} 8.510 0.045 0.139 {P+} 0.000 0 0 0 {?} {3.ca} 55.620 0.575 0.968 {+P} 0.000 0 0 0 {?} {3.n} 119.209 0.457 0.457 {+E} 0.000 0 0 0 {?} 236 0.755 0.000 0.000 0 0 {?} {?} 7.910 0.033 0.068 {++} 0.000 0 0 0 {?} {?} 43.094 0.543 0.950 {+P} 0.000 0 0 0 {?} {?} 117.512 0.424 0.424 {E+} 0.000 0 0 0 {?} 237 0.305 0.000 0.000 0 0 {?} {?} 6.626 0.058 0.071 {++} 0.000 0 0 0 {?} {?} 43.532 0.798 1.553 {PP} 0.000 0 0 0 {?} {?} 116.300 0.326 0.326 {E+} 0.000 0 0 0 {?} ; 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 . 3004.22 . . . 15885 1 2 C 13 'CA, CB' . 10000.00 . . . 15885 1 3 N 15 N . 1886.79 . . . 15885 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 3 $NMRView . . 15885 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 15885 _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 2 _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 . _Spectral_peak_list.Text_data ; 0 3.428 0.000 0.000 0 0 {?} {88.hn} 8.678 0.037 0.048 {++} 0.000 b:hncacb.179.1 a:cacbconh.6.1 0 {?} {87.cb} 34.169 0.587 1.553 {P+} 0.000 0 0 0 {?} {88.n} 130.823 0.341 0.469 {++} 0.000 b:hncacb.179.3 a:cacbconh.6.3 0 {?} 1 2.924 0.000 0.000 0 2 {?} {46.hn} 8.900 0.036 0.050 {++} 0.000 0 a:hncacb.59.1 1 {?} {45.cb} 33.550 0.546 1.553 {P+} 0.000 0 0 0 {?} {46.n} 130.260 0.310 0.393 {++} 0.000 0 0 0 {?} 2 4.480 0.000 0.000 0 2 {?} {91.hn} 8.789 0.036 0.053 {++} 0.000 b:hncacb.61.1 a:cacbconh.10.1 2 {?} {90.cb} 32.481 0.503 1.553 {P+} 0.000 0 0 0 {?} {91.n} 129.791 0.291 0.444 {++} 0.000 b:hncacb.61.3 a:cacbconh.10.3 0 {?} 3 4.124 0.000 0.000 0 2 {?} {86.hn} 8.675 0.035 0.052 {++} 0.000 b:cacbconh.11.1 a:hncacb.62.1 3 {?} {85.cb} 31.624 0.715 1.553 {PP} 0.000 0 0 0 {?} {86.n} 129.337 0.362 0.568 {++} 0.000 b:cacbconh.11.3 a:hncacb.62.3 0 {?} 4 3.725 0.000 0.000 0 2 {?} {62.hn} 8.678 0.042 0.057 {++} 0.000 0 a:cacbconh.12.1 4 {?} {61.cb} 34.647 0.617 1.553 {P+} 0.000 0 0 0 {?} {62.n} 128.110 0.314 0.448 {++} 0.000 0 a:cacbconh.12.3 0 {?} 5 4.596 0.000 0.000 0 2 {?} {63.hn} 8.721 0.042 0.073 {++} 0.000 0 a:cacbconh.96.1 5 {?} {62.cb} 32.075 0.643 1.553 {P+} 0.000 0 0 0 {?} {63.n} 127.568 0.324 0.523 {++} 0.000 0 a:cacbconh.96.3 0 {?} 6 3.918 0.000 0.000 0 2 {?} {15.hn} 8.910 0.038 0.058 {++} 0.000 b:cacbconh.15.1 a:ca_hncacb.20.1 6 {?} {14.cb} 35.661 0.613 1.553 {P+} 0.000 0 0 0 {?} {15.n} 125.662 0.286 0.416 {++} 0.000 b:cacbconh.15.3 a:ca_hncacb.20.3 0 {?} 7 7.506 0.000 0.000 -1 2 {?} {?} 8.716 0.040 0.069 {++} 0.000 b:cbcaconh.80.1 0 126 {?} {?} 30.997 0.578 1.553 {P+} 0.000 0 0 0 {?} {?} 123.257 0.320 0.623 {++} 0.000 0 0 0 {?} 8 4.540 0.000 0.000 0 2 {?} {51.hn} 8.957 0.047 0.073 {++} 0.000 0 a:cacbconh.17.1 8 {?} {50.cb} 29.532 0.764 1.553 {PP} 0.000 0 0 0 {?} {51.n} 122.351 0.462 0.712 {++} 0.000 0 a:cacbconh.17.3 0 {?} 9 16.874 0.000 0.000 0 2 {?} {50.hn} 8.760 0.031 0.085 {++} 0.000 0 a:cacbconh.18.1 9 {?} {49.cb} 30.545 0.704 1.553 {PP} 0.000 0 0 0 {?} {50.n} 120.525 0.336 0.886 {++} 0.000 0 a:cacbconh.18.3 0 {?} 10 9.416 0.000 0.000 0 2 {?} {27.hn} 8.656 0.035 0.084 {++} 0.000 0 a:cacbconh.19.1 10 {?} {26.cb} 29.515 0.715 1.553 {PP} 0.000 0 0 0 {?} {27.n} 120.141 0.389 0.798 {++} 0.000 0 a:cacbconh.19.3 0 {?} 11 -1.438 0.000 0.000 -1 2 {?} {?} 8.756 0.018 0.018 {++} 0.000 0 a:cacbconh.20.1 11 {?} {?} 30.925 0.096 0.049 {++} 0.000 0 0 0 {?} {?} 119.817 0.294 0.151 {++} 0.000 0 a:cacbconh.20.3 0 {?} 12 3.238 0.000 0.000 0 2 {?} {12.hn} 8.877 0.032 0.042 {++} 0.000 b:cacbconh.30.1 a:ca_hncacb.31.1 12 {?} {11.cb} 32.232 0.618 0.828 {+P} 0.000 0 0 0 {?} {12.n} 116.985 0.359 0.481 {++} 0.000 b:cacbconh.30.3 a:ca_hncacb.31.3 0 {?} 13 6.644 0.000 0.000 0 2 {?} {13.hn} 8.646 0.035 0.074 {++} 0.000 b:cacbconh.94.1 a:ca_hncacb.156.1 13 {?} {12.cb} 38.717 0.573 1.553 {P+} 0.000 0 0 0 {?} {13.n} 116.995 0.404 0.739 {++} 0.000 b:cacbconh.94.3 a:ca_hncacb.156.3 0 {?} 14 7.961 0.000 0.000 0 2 {?} {78.hn} 8.796 0.042 0.084 {++} 0.000 0 a:cacbconh.22.1 14 {?} {77.cb} 38.366 0.701 1.553 {PP} 0.000 0 0 0 {?} {78.n} 116.685 0.311 0.621 {++} 0.000 0 a:cacbconh.22.3 0 {?} 15 10.109 0.000 0.000 0 2 {?} {17.hn} 8.665 0.036 0.070 {++} 0.000 0 a:cacbconh.24.1 15 {?} {16.cb} 31.509 0.593 1.553 {PP} 0.000 0 0 0 {?} {17.n} 116.001 0.353 0.747 {++} 0.000 0 a:cacbconh.24.3 0 {?} 16 8.182 0.000 0.000 0 2 {?} {25.hn} 8.677 0.038 0.071 {++} 0.000 0 a:cacbconh.25.1 16 {?} {24.cb} 28.896 0.573 1.553 {P+} 0.000 0 0 0 {?} {25.n} 110.796 0.356 0.801 {++} 0.000 0 a:cacbconh.25.3 0 {?} 17 2.033 0.000 0.000 0 2 {?} {?} 8.679 0.038 0.089 {P+} 0.000 b:cacbconh.7.1 a:cbcaconh.18.1 17 {?} {?} 34.785 0.518 0.518 {+P} 0.000 0 0 0 {?} {?} 130.844 0.352 0.426 {E+} 0.000 b:cacbconh.7.3 a:cbcaconh.18.3 0 {?} 18 2.467 0.000 0.000 0 2 {?} {?} 8.679 0.038 0.089 {P+} 0.000 b:cbcaconh.17.1 a:cbcaconh.19.1 17 {?} {?} 34.785 0.518 0.518 {+P} 0.000 0 0 0 {?} {?} 130.844 0.352 0.426 {E+} 0.000 b:cbcaconh.17.3 a:cbcaconh.19.3 0 {?} 19 2.467 0.000 0.000 -1 2 {?} {?} 8.679 0.038 0.089 {P+} 0.000 b:cbcaconh.18.1 a:cacbconh.26.1 17 {?} {?} 34.196 0.518 0.910 {+E} 0.000 0 0 0 {?} {?} 130.844 0.352 0.426 {E+} 0.000 b:cbcaconh.18.3 a:cacbconh.26.3 0 {?} 20 1.469 0.000 0.000 1 0 {?} {?} 8.679 0.042 0.068 {++} 0.000 0 0 0 {?} {?} 37.979 0.450 0.518 {+P} 0.000 0 0 0 {?} {?} 127.935 0.323 0.408 {E+} 0.000 0 0 0 {?} 21 0.423 0.000 0.000 0 2 {?} {?} 8.679 0.042 0.068 {++} 0.000 0 a:cbcaconh.22.1 18 {?} {?} 37.979 0.450 0.518 {+P} 0.000 0 0 0 {?} {?} 127.935 0.323 0.408 {E+} 0.000 0 a:cbcaconh.22.3 0 {?} 22 1.880 0.000 0.000 -1 2 {?} {?} 8.679 0.042 0.068 {++} 0.000 b:cbcaconh.21.1 a:cacbconh.28.1 18 {?} {?} 34.714 0.450 0.757 {+E} 0.000 0 0 0 {?} {?} 127.935 0.323 0.408 {E+} 0.000 b:cbcaconh.21.3 a:cacbconh.28.3 0 {?} 23 1.676 0.000 0.000 1 2 {?} {57.hn} 8.719 0.043 0.139 {P+} 0.000 0 a:hncacb.174.1 7 {?} {56.cb} 40.583 0.539 0.996 {+P} 0.000 0 0 0 {?} {57.n} 123.329 0.359 0.448 {E+} 0.000 0 0 0 {?} 24 7.147 0.000 0.000 0 2 {?} {101.hn} 8.320 0.037 0.111 {++} 0.000 0 a:cacbconh.31.1 19 {?} {100.cb} 39.510 0.564 1.553 {PP} 0.000 0 0 0 {?} {101.n} 127.935 0.471 0.471 {E+} 0.000 0 a:cacbconh.31.3 0 {?} 25 1.275 0.000 0.000 0 2 {?} {87.hn} 8.052 0.034 0.070 {++} 0.000 b:ca_hncacb.40.1 0 20 {?} {86.cb} 33.103 0.497 0.901 {+P} 0.000 0 0 0 {?} {87.n} 127.208 0.413 0.439 {E+} 0.000 b:ca_hncacb.40.3 0 0 {?} 26 0.845 0.000 0.000 0 2 {?} {20.hn} 7.513 0.032 0.089 {P+} 0.000 b:cacbconh.126.1 0 21 {?} {19.cb} 37.730 0.408 0.518 {+P} 0.000 0 0 0 {?} {20.n} 126.965 0.289 0.395 {E+} 0.000 b:cacbconh.126.3 0 0 {?} 27 5.676 0.000 0.000 0 2 {?} {44.hn} 8.109 0.042 0.089 {PP} 0.000 b:cacbconh.36.1 a:ca_hncacb.44.1 22 {?} {43.cb} 42.479 0.443 0.854 {+E} 0.000 0 0 0 {?} {44.n} 126.238 0.437 0.467 {E+} 0.000 b:cacbconh.36.3 a:ca_hncacb.44.3 0 {?} 28 8.103 0.000 0.000 -1 2 {?} {?} 8.385 0.034 0.119 {+P} 0.000 0 a:hncacb.93.1 23 {?} {?} 18.372 0.485 0.518 {+P} 0.000 0 0 0 {?} {?} 124.784 0.472 0.472 {E+} 0.000 0 a:hncacb.93.3 0 {?} 29 4.707 0.000 0.000 0 2 {?} 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a:ca_hncacb.138.3 0 {?} 78 7.287 0.000 0.000 0 2 {?} {7.hn} 8.938 0.035 0.114 {P+} 0.000 b:hncacb.167.1 a:cacbconh.14.1 69 {?} {6.cb} 68.369 0.778 1.553 {PP} 0.000 0 0 0 {?} {7.n} 126.481 0.455 1.697 {PE} 0.000 b:hncacb.167.3 a:cacbconh.14.3 0 {?} 79 3.904 0.000 0.000 0 2 {?} {66.hn} 8.870 0.038 0.114 {P+} 0.000 0 a:cacbconh.13.1 70 {?} {65.cb} 41.962 0.562 1.553 {PE} 0.000 0 0 0 {?} {66.n} 126.965 0.467 0.467 {E+} 0.000 0 a:cacbconh.13.3 0 {?} 80 2.042 0.000 0.000 -1 2 {?} {?} 8.704 0.014 0.025 {+E} 0.000 b:cacbconh.92.1 a:cbcaconh.7.1 126 {?} {?} 40.409 0.518 0.518 {EP} 0.000 0 0 0 {?} {?} 123.329 0.372 0.451 {E+} 0.000 0 0 0 {?} 81 6.157 0.000 0.000 1 2 {?} {45.hn} 8.704 0.023 0.023 {+E} 0.000 0 a:hncacb.175.1 71 {?} {44.cb} 30.895 0.518 0.518 {EP} 0.000 0 0 0 {?} {45.n} 123.101 0.336 0.473 {E+} 0.000 0 a:hncacb.175.3 0 {?} 82 6.914 0.000 0.000 0 2 {?} {64.hn} 8.681 0.036 0.114 {P+} 0.000 b:ca_hncacb.33.1 a:cacbconh.23.1 72 {?} {63.cb} 40.487 0.607 1.553 {PP} 0.000 0 0 0 {?} {64.n} 116.300 0.471 0.475 {E+} 0.000 b:ca_hncacb.33.3 a:cacbconh.23.3 0 {?} 83 13.552 0.000 0.000 0 2 {?} {89.hn} 8.657 0.036 0.139 {PP} 0.000 0 a:cacbconh.95.1 73 {?} {88.cb} 22.806 1.553 6.382 {PE} 0.000 0 0 0 {?} {89.n} 118.239 0.410 0.480 {E+} 0.000 0 a:cacbconh.95.3 0 {?} 84 21.035 0.000 0.000 0 2 {?} {54.hn} 8.543 0.031 0.089 {PP} 0.000 0 a:cacbconh.97.1 74 {?} {53.cb} 19.700 1.553 3.287 {PE} 0.000 0 0 0 {?} {54.n} 121.633 0.417 0.481 {E+} 0.000 0 a:cacbconh.97.3 0 {?} 85 7.682 0.000 0.000 0 2 {?} {31.hn} 8.552 0.039 0.089 {PP} 0.000 b:cacbconh.98.1 a:ca_hncacb.165.1 75 {?} {30.cb} 29.536 0.652 1.553 {PE} 0.000 0 0 0 {?} {31.n} 113.633 0.476 0.476 {E+} 0.000 b:cacbconh.98.3 a:ca_hncacb.165.3 0 {?} 86 2.267 0.000 0.000 0 2 {?} {56.hn} 8.540 0.048 0.100 {+P} 0.000 b:hncacb.189.1 0 76 {?} {55.cb} 39.373 0.477 0.893 {+E} 0.000 0 0 0 {?} {56.n} 124.057 0.454 0.454 {E+} 0.000 b:hncacb.189.3 0 0 {?} 87 5.547 0.000 0.000 0 2 {?} {21.hn} 8.489 0.042 0.089 {PP} 0.000 0 a:cacbconh.100.1 77 {?} {20.cb} 42.479 0.528 1.029 {+E} 0.000 0 0 0 {?} {21.n} 118.239 0.327 0.472 {E+} 0.000 0 a:cacbconh.100.3 0 {?} 88 7.634 0.000 0.000 0 2 {?} {80.hn} 8.478 0.038 0.114 {PP} 0.000 b:cacbconh.102.1 a:ca_hncacb.172.1 78 {?} {79.cb} 31.090 0.561 1.553 {PE} 0.000 0 0 0 {?} {80.n} 122.360 0.476 0.476 {E+} 0.000 b:cacbconh.102.3 a:ca_hncacb.172.3 0 {?} 89 7.949 0.000 0.000 0 2 {?} {90.hn} 8.438 0.038 0.109 {+P} 0.000 b:cacbconh.103.1 a:hncacb.16.1 79 {?} {89.cb} 34.177 0.715 1.553 {PP} 0.000 0 0 0 {?} {90.n} 121.148 0.274 0.476 {E+} 0.000 b:cacbconh.103.3 a:hncacb.16.3 0 {?} 90 8.885 0.000 0.000 0 2 {?} {6.hn} 8.427 0.040 0.114 {PP} 0.000 b:cacbconh.104.1 a:hncacb.197.1 80 {?} {5.cb} 64.741 0.548 1.011 {EP} 0.000 0 0 0 {?} {6.n} 113.876 0.484 0.484 {+E} 0.000 b:cacbconh.104.3 a:hncacb.197.3 0 {?} 91 4.955 0.000 0.000 -1 2 {?} {?} 8.392 0.034 0.114 {PP} 0.000 b:ca_hncacb.178.1 a:hncacb.198.1 81 {?} {?} 33.678 0.518 0.518 {PP} 0.000 0 0 0 {?} {?} 122.845 0.465 0.465 {E+} 0.000 b:ca_hncacb.178.3 a:hncacb.198.3 0 {?} 92 14.569 0.000 0.000 0 2 {?} {37.hn} 8.383 0.033 0.114 {PP} 0.000 0 a:cacbconh.106.1 82 {?} {36.cb} 18.664 1.553 2.266 {PE} 0.000 0 0 0 {?} {37.n} 125.026 0.308 0.478 {E+} 0.000 0 a:cacbconh.106.3 0 {?} 93 6.145 0.000 0.000 0 2 {?} {77.hn} 8.371 0.036 0.114 {PP} 0.000 0 a:cacbconh.107.1 83 {?} {76.cb} 43.493 0.724 1.553 {PP} 0.000 0 0 0 {?} {77.n} 115.573 0.468 0.468 {EE} 0.000 0 a:cacbconh.107.3 0 {?} 94 11.547 0.000 0.000 0 2 {?} {22.hn} 8.378 0.036 0.114 {PP} 0.000 b:cacbconh.108.1 a:hncacb.203.1 84 {?} {21.cb} 40.926 0.536 1.553 {PE} 0.000 0 0 0 {?} {22.n} 119.209 0.298 0.476 {E+} 0.000 b:cacbconh.108.3 a:hncacb.203.3 0 {?} 95 8.558 0.000 0.000 0 2 {?} {55.hn} 8.308 0.040 0.114 {PP} 0.000 b:cacbconh.109.1 a:ca_hncacb.184.1 85 {?} {54.cb} 31.090 0.619 1.553 {PE} 0.000 0 0 0 {?} {55.n} 123.329 0.402 0.473 {E+} 0.000 b:cacbconh.109.3 a:ca_hncacb.184.3 0 {?} 96 16.005 0.000 0.000 0 2 {?} {100.hn} 8.353 0.035 0.114 {PP} 0.000 b:cacbconh.110.1 a:hncacb.205.1 86 {?} {99.cb} 61.117 1.022 1.022 {EP} 0.000 0 0 0 {?} {100.n} 117.269 0.418 1.212 {PE} 0.000 b:cacbconh.110.3 a:hncacb.205.3 0 {?} 97 2.804 0.000 0.000 0 2 {?} {96.hn} 8.355 0.033 0.089 {++} 0.000 b:cacbconh.111.1 a:hncacb.23.1 87 {?} {95.cb} 29.536 0.504 0.934 {+E} 0.000 0 0 0 {?} {96.n} 120.421 0.449 0.449 {E+} 0.000 b:cacbconh.111.3 a:hncacb.23.3 0 {?} 98 1.199 0.000 0.000 -1 0 {?} {?} 8.311 0.022 0.025 {+E} 0.000 0 0 0 {?} {?} 31.607 0.518 0.518 {EP} 0.000 0 0 0 {?} {?} 117.754 0.276 0.276 {E+} 0.000 0 0 0 {?} 99 4.184 0.000 0.000 0 2 {?} {28.hn} 8.339 0.037 0.089 {++} 0.000 b:cacbconh.114.1 a:ca_hncacb.193.1 88 {?} {27.cb} 31.607 1.553 2.043 {PE} 0.000 0 0 0 {?} {28.n} 117.754 0.450 0.450 {E+} 0.000 b:cacbconh.114.3 a:ca_hncacb.193.3 0 {?} 100 10.919 0.000 0.000 0 2 {?} {4.hn} 8.367 0.034 0.089 {PP} 0.000 b:cacbconh.115.1 a:ca_hncacb.195.1 89 {?} {3.cb} 32.643 0.614 1.553 {PE} 0.000 0 0 0 {?} {4.n} 122.117 0.472 0.472 {E+} 0.000 b:cacbconh.115.3 a:ca_hncacb.195.3 0 {?} 101 -1.398 0.000 0.000 -1 0 {?} {?} 8.260 0.038 0.062 {++} 0.000 0 0 0 {?} {?} 45.068 0.091 0.144 {+E} 0.000 0 0 0 {?} {?} 122.845 0.324 0.381 {E+} 0.000 0 0 0 {?} 102 10.477 0.000 0.000 0 2 {?} {18.hn} 8.073 0.037 0.089 {PP} 0.000 0 a:cacbconh.118.1 90 {?} {17.cb} 31.607 0.536 1.553 {PE} 0.000 0 0 0 {?} {18.n} 118.481 0.342 0.471 {E+} 0.000 0 a:cacbconh.118.3 0 {?} 103 14.333 0.000 0.000 0 2 {?} {76.hn} 8.137 0.038 0.114 {PP} 0.000 0 a:cacbconh.120.1 91 {?} {75.cb} 21.253 0.717 1.553 {PE} 0.000 0 0 0 {?} {76.n} 116.542 0.339 0.475 {E+} 0.000 0 a:cacbconh.120.3 0 {?} 104 11.549 0.000 0.000 0 2 {?} {65.hn} 8.018 0.039 0.089 {PP} 0.000 0 a:cacbconh.121.1 92 {?} {64.cb} 64.224 0.535 1.009 {EP} 0.000 0 0 0 {?} {65.n} 116.542 0.469 0.469 {+E} 0.000 0 a:cacbconh.121.3 0 {?} 105 9.267 0.000 0.000 0 2 {?} {30.hn} 7.998 0.033 0.139 {PP} 0.000 0 a:cacbconh.122.1 93 {?} {29.cb} 29.536 1.553 2.580 {PE} 0.000 0 0 0 {?} {30.n} 119.451 0.327 0.469 {E+} 0.000 0 a:cacbconh.122.3 0 {?} 106 3.531 0.000 0.000 0 2 {?} {103.hn} 8.004 0.037 0.114 {PP} 0.000 b:ca_hncacb.209.1 0 94 {?} {102.cb} 65.259 0.449 0.822 {+E} 0.000 0 0 0 {?} {103.n} 131.571 0.444 0.444 {E+} 0.000 b:ca_hncacb.209.3 0 0 {?} 107 4.028 0.000 0.000 0 2 {?} {74.hn} 7.577 0.040 0.114 {PP} 0.000 0 a:cacbconh.125.1 95 {?} {73.cb} 38.338 0.728 1.553 {PE} 0.000 0 0 0 {?} {74.n} 116.057 0.284 0.449 {E+} 0.000 0 a:cacbconh.125.3 0 {?} 108 5.816 0.000 0.000 0 2 {?} {92.hn} 7.493 0.031 0.089 {PP} 0.000 0 a:cacbconh.127.1 96 {?} {91.cb} 41.962 0.476 0.903 {+E} 0.000 0 0 0 {?} {92.n} 127.208 0.460 0.460 {E+} 0.000 0 a:cacbconh.127.3 0 {?} 109 13.668 0.000 0.000 0 2 {?} {23.hn} 7.503 0.034 0.114 {PP} 0.000 b:cacbconh.128.1 a:hncacb.226.1 97 {?} {22.cb} 40.926 1.553 2.086 {PE} 0.000 0 0 0 {?} {23.n} 123.572 0.474 0.474 {E+} 0.000 b:cacbconh.128.3 a:hncacb.226.3 0 {?} 110 9.940 0.000 0.000 0 2 {?} {71.hn} 7.461 0.036 0.114 {PP} 0.000 0 a:cacbconh.129.1 98 {?} {70.cb} 30.572 0.543 1.553 {PE} 0.000 0 0 0 {?} {71.n} 120.421 0.470 0.470 {E+} 0.000 0 a:cacbconh.129.3 0 {?} 111 2.781 0.000 0.000 0 2 {?} {35.hn} 7.425 0.033 0.068 {P+} 0.000 b:cacbconh.130.1 a:hncacb.227.1 99 {?} {34.cb} 40.254 0.416 0.742 {E+} 0.000 0 0 0 {?} {35.n} 104.665 0.304 0.405 {+E} 0.000 b:cacbconh.130.3 a:hncacb.227.3 0 {?} 112 5.328 0.000 0.000 0 2 {?} {69.hn} 7.093 0.036 0.114 {PP} 0.000 b:cacbconh.131.1 a:hncacb.228.1 100 {?} {68.cb} 29.019 0.672 1.553 {PE} 0.000 0 0 0 {?} {69.n} 115.330 0.323 0.469 {E+} 0.000 b:cacbconh.131.3 a:hncacb.228.3 0 {?} 113 1.518 0.000 0.000 0 2 {?} {14.hn} 6.809 0.036 0.114 {PP} 0.000 0 a:cacbconh.133.1 101 {?} {13.cb} 34.714 0.549 0.954 {E+} 0.000 0 0 0 {?} {14.n} 106.846 0.436 0.436 {+E} 0.000 0 a:cacbconh.133.3 0 {?} 114 1.713 1.713 0.000 1 2 {?} {?} 8.261 0.038 0.063 {PP} 0.000 0 0 105 {?} {?} 20.735 0.547 1.002 {+E} 0.000 0 0 0 {?} {?} 122.602 0.444 0.444 {E+} 0.000 0 0 0 {?} 115 8.439 0.000 0.000 1 0 {?} {68.hn} 7.372 0.035 0.089 {PP} 0.000 0 0 0 {?} {67.cb} 61.624 0.508 0.518 {+P} 0.000 0 0 0 {?} {68.n} 124.057 0.468 0.468 {EE} 0.000 0 0 0 {?} 116 7.482 0.000 0.000 1 0 {?} {67.hn} 8.081 0.044 0.139 {PP} 0.000 0 0 0 {?} {66.cb} 18.664 0.856 1.690 {PE} 0.000 0 0 0 {?} {67.n} 110.967 0.378 0.478 {E+} 0.000 0 0 0 {?} 117 7.600 0.000 0.000 1 0 {?} {93.hn} 8.627 0.039 0.114 {PP} 0.000 0 0 0 {?} {92.cb} 42.479 0.523 0.996 {+E} 0.000 0 0 0 {?} {93.n} 129.147 0.462 0.462 {E+} 0.000 0 0 0 {?} 118 10.486 0.000 0.000 1 0 {?} {3.hn} 8.509 0.043 0.215 {PP} 0.000 0 0 0 {?} {2.cb} 19.469 0.497 0.518 {+P} 0.000 0 0 0 {?} {3.n} 119.209 0.473 0.473 {E+} 0.000 0 0 0 {?} ; 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 . 3004.22 . . . 15885 2 2 C 13 'CA, CB' . 10000.00 . . . 15885 2 3 N 15 N . 1886.79 . . . 15885 2 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 3 $NMRView . . 15885 2 stop_ save_