data_4278 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4278 _Entry.Title ; Backbone 1H and 15N Chemical Shift Assignments for Long-[L60]-IGF-I, an Insulin-Like Growth Factor 1 Analogue (IGF-I) ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 1998-12-07 _Entry.Accession_date 1998-12-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Leanne Laajoki . G. . 4278 2 Steve Milner . J. . 4278 3 Geoff Francis . L. . 4278 4 John Carver . A. . 4278 5 Max Keniry . A. . 4278 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4278 coupling_constants 1 4278 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 82 4278 '1H chemical shifts' 531 4278 'coupling constants' 59 4278 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 . . 2001-02-21 . original author 'Original release.' 4278 1 . . 2002-07-12 . update BMRB 'Modify the saveframe name.' 4278 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 2498 . 4278 BMRB 4011 . 4278 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4278 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Laajoki, L. G., Milner, S. J., Francis, G. L., Carver, J. A., and Keniry, M. A., "1H and 15N Assignments of Long-[L60]-IGF-I, an Insulin-Like Growth Factor I Analogue," J. Biomol. NMR, submitted (1999). ; _Citation.Title ; 1H and 15N Assignments of Long-[L60]-IGF-I, an Insulin-Like Growth Factor I Analogue ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 1999 _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 Leanne Laajoki . G . 4278 1 2 Steve Milner . J . 4278 1 3 Geoff Francis . L . 4278 1 4 John Carver . A . 4278 1 5 Max Keniry . A . 4278 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'growth factor' 4278 1 'heteronuclear 3D NMR' 4278 1 IGF-I 4278 1 stop_ save_ save_citation_one _Citation.Sf_category citations _Citation.Sf_framecode citation_one _Citation.Entry_ID 4278 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Bartels,C., Xia,T-H., Billeter,M., Geuntert,P. and Wuthrich,K. J. Biomolecular NMR, 6, 1-10 (1995). ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ save_citation_two _Citation.Sf_category citations _Citation.Sf_framecode citation_two _Citation.Entry_ID 4278 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation 'Varian Associates, Palo Alto, CA' _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ save_citation_three _Citation.Sf_category citations _Citation.Sf_framecode citation_three _Citation.Entry_ID 4278 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Bartels,C., Xia,T-H., Billeter,M., Geuntert,P and Wuthrich,K. (1995) J.Biomolecular NMR, 6, 1-10. ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Long-L60-IGF-I _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Long-L60-IGF-I _Assembly.Entry_ID 4278 _Assembly.ID 1 _Assembly.Name Long-[L60]-IGF-I _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; PDB 2GF1 and 3GF1 Tyr-60 replaced by Leu-60 N-terminal Extension of 13 amino acid residues numbered -13 for the N-terminal residue through to -1 for the residue prior to residue 1 in the parent IGF-I. ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4278 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Long [L60] IGF I' 1 $Long-L60-IGF-I . . . native . . . . . 4278 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Long-[L60]-IGF-I abbreviation 4278 1 Long-[L60]-IGF-I system 4278 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Mediates Effects of GH Insulin-Like Metabolic Effects Mitogenic Effects' 4278 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Long-L60-IGF-I _Entity.Sf_category entity _Entity.Sf_framecode Long-L60-IGF-I _Entity.Entry_ID 4278 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name IGF-I _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 ; MFPAMPLSSLFVNGPETLCG AELVDALQFVCGDRGFYFNK PTGYGSSSRRAPQTGIVDEC CFRSCDLRRLEMLCAPLKPA KSA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9139 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Alpha Helical Protein, three helices' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 15654 . Insulin-like_growth_factor-I_(IGF-I) . . . . . 84.34 70 98.57 98.57 8.92e-42 . . . . 4278 1 2 no BMRB 2498 . "insulin-like growth factor-I" . . . . . 84.34 70 98.57 98.57 8.92e-42 . . . . 4278 1 3 no BMRB 4069 . "Long-[Arg-3]-Insulin-Like Growth Factor-I" . . . . . 100.00 83 97.59 97.59 7.74e-51 . . . . 4278 1 4 no BMRB 4204 . "Insulin-like growth factor-I (Somatomedin C)" . . . . . 84.34 70 98.57 98.57 8.92e-42 . . . . 4278 1 5 no BMRB 4494 . IGF-I . . . . . 100.00 83 97.59 97.59 7.74e-51 . . . . 4278 1 6 no PDB 1BQT . "Three-Dimensional Structure Of Human Insulin-Like Growth Factor-I (Igf-I) Determined By 1h-Nmr And Distance Geometry, 6 Structu" . . . . . 84.34 70 98.57 98.57 8.92e-42 . . . . 4278 1 7 no PDB 1GZR . "Human Insulin-Like Growth Factor; Esrf Data" . . . . . 84.34 70 98.57 98.57 8.92e-42 . . . . 4278 1 8 no PDB 1GZY . "Human Insulin-Like Growth Factor; In-House Data" . . . . . 84.34 70 98.57 98.57 8.92e-42 . . . . 4278 1 9 no PDB 1GZZ . "Human Insulin-Like Growth Factor; Hamburg Data" . . . . . 84.34 70 98.57 98.57 8.92e-42 . . . . 4278 1 10 no PDB 1H02 . "Human Insulin-Like Growth Factor; Srs Daresbury Data" . . . . . 84.34 70 98.57 98.57 8.92e-42 . . . . 4278 1 11 no PDB 1H59 . "Complex Of Igfbp-5 With Igf-I" . . . . . 84.34 70 98.57 98.57 8.92e-42 . . . . 4278 1 12 no PDB 1IMX . "1.8 Angstrom Crystal Structure Of Igf-1" . . . . . 84.34 70 98.57 98.57 8.92e-42 . . . . 4278 1 13 no PDB 1PMX . "Insulin-Like Growth Factor-I Bound To A Phage-Derived Peptide" . . . . . 84.34 70 98.57 98.57 8.92e-42 . . . . 4278 1 14 no PDB 1WQJ . "Structural Basis For The Regulation Of Insulin-Like Growth Factors (Igfs) By Igf Binding Proteins (Igfbps)" . . . . . 84.34 70 98.57 98.57 8.92e-42 . . . . 4278 1 15 no PDB 2DSP . "Structural Basis For The Inhibition Of Insulin-Like Growth Factors By Igf Binding Proteins" . . . . . 84.34 70 98.57 98.57 8.92e-42 . . . . 4278 1 16 no PDB 2DSQ . "Structural Basis For The Inhibition Of Insulin-Like Growth Factors By Igf Binding Proteins" . . . . . 84.34 70 98.57 98.57 8.92e-42 . . . . 4278 1 17 no PDB 2DSR . "Structural Basis For The Inhibition Of Insulin-Like Growth Factors By Igf Binding Proteins" . . . . . 84.34 70 98.57 98.57 8.92e-42 . . . . 4278 1 18 no PDB 2GF1 . "Solution Structure Of Human Insulin-Like Growth Factor 1: A Nuclear Magnetic Resonance And Restrained Molecular Dynamics Study" . . . . . 84.34 70 98.57 98.57 8.92e-42 . . . . 4278 1 19 no PDB 3GF1 . "Solution Structure Of Human Insulin-Like Growth Factor 1: A Nuclear Magnetic Resonance And Restrained Molecular Dynamics Study" . . . . . 84.34 70 98.57 98.57 8.92e-42 . . . . 4278 1 20 no PDB 4XSS . "Insulin-like Growth Factor I In Complex With Site 1 Of A Hybrid Insulin Receptor / Type 1 Insulin-like Growth Factor Receptor" . . . . . 84.34 70 98.57 98.57 8.92e-42 . . . . 4278 1 21 no DBJ BAA01200 . "Met-somatomedin C polypeptide [synthetic construct]" . . . . . 84.34 71 98.57 98.57 7.70e-42 . . . . 4278 1 22 no DBJ BAA07897 . "insulin-like growth factor I precursor [Suncus murinus]" . . . . . 84.34 81 97.14 98.57 1.02e-41 . . . . 4278 1 23 no EMBL CAA27153 . "unnamed protein product [Homo sapiens]" . . . . . 53.01 60 97.73 97.73 2.60e-21 . . . . 4278 1 24 no EMBL CAA28759 . "unnamed protein product [synthetic construct]" . . . . . 84.34 137 98.57 98.57 3.23e-42 . . . . 4278 1 25 no EMBL CAA35098 . "insuline-like growth factor-I (2) [Ovis aries]" . . . . . 84.34 138 97.14 97.14 6.81e-42 . . . . 4278 1 26 no GB AAA53535 . "insulin-like growth factor I, partial [synthetic construct]" . . . . . 84.34 70 97.14 97.14 6.89e-41 . . . . 4278 1 27 no GB AAA72204 . "insulin-like growth factor, partial [synthetic construct]" . . . . . 84.34 70 98.57 98.57 8.92e-42 . . . . 4278 1 28 no GB AAA72455 . "synthetic somatomedin-C/insulin-like growth factor I [synthetic construct]" . . . . . 84.34 71 97.14 97.14 5.33e-41 . . . . 4278 1 29 no GB AAA72579 . "insulin-like growth factor [synthetic construct]" . . . . . 84.34 71 98.57 98.57 7.70e-42 . . . . 4278 1 30 no GB AAA72763 . "synthetic insulin-like growth factor [synthetic construct]" . . . . . 84.34 71 98.57 98.57 7.70e-42 . . . . 4278 1 31 no PIR S22878 . "insulin-like growth factor I precursor, splice form 2 - sheep" . . . . . 84.34 138 97.14 97.14 6.81e-42 . . . . 4278 1 32 no PRF 0912651A . "somatomedin C" . . . . . 84.34 70 98.57 98.57 8.92e-42 . . . . 4278 1 33 no PRF 2001274B . "insulin-like growth factor I" . . . . . 84.34 70 97.14 97.14 6.89e-41 . . . . 4278 1 34 no REF NP_001300784 . "insulin-like growth factor I precursor [Canis lupus familiaris]" . . . . . 84.34 153 98.57 98.57 5.47e-42 . . . . 4278 1 35 no REF XP_004418087 . "PREDICTED: insulin-like growth factor I isoform 1 [Ceratotherium simum simum]" . . . . . 84.34 187 98.57 98.57 4.44e-42 . . . . 4278 1 36 no REF XP_004418088 . "PREDICTED: insulin-like growth factor I isoform 2 [Ceratotherium simum simum]" . . . . . 84.34 171 98.57 98.57 8.46e-43 . . . . 4278 1 37 no REF XP_004418089 . "PREDICTED: insulin-like growth factor I isoform 3 [Ceratotherium simum simum]" . . . . . 84.34 159 98.57 98.57 4.12e-42 . . . . 4278 1 38 no REF XP_004418090 . "PREDICTED: insulin-like growth factor I isoform 4 [Ceratotherium simum simum]" . . . . . 84.34 153 98.57 98.57 2.80e-42 . . . . 4278 1 39 no SP P33712 . "RecName: Full=Insulin-like growth factor I; Short=IGF-I; AltName: Full=Somatomedin; Flags: Precursor" . . . . . 84.34 153 98.57 98.57 5.47e-42 . . . . 4278 1 40 no SP Q28933 . "RecName: Full=Insulin-like growth factor I; Short=IGF-I; AltName: Full=Somatomedin; Flags: Precursor" . . . . . 84.34 81 97.14 98.57 1.02e-41 . . . . 4278 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID IGF-I common 4278 1 Long-[L60]-IGF-I abbreviation 4278 1 Long-[L60]-IGF-I variant 4278 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4278 1 2 . PHE . 4278 1 3 . PRO . 4278 1 4 . ALA . 4278 1 5 . MET . 4278 1 6 . PRO . 4278 1 7 . LEU . 4278 1 8 . SER . 4278 1 9 . SER . 4278 1 10 . LEU . 4278 1 11 . PHE . 4278 1 12 . VAL . 4278 1 13 . ASN . 4278 1 14 . GLY . 4278 1 15 . PRO . 4278 1 16 . GLU . 4278 1 17 . THR . 4278 1 18 . LEU . 4278 1 19 . CYS . 4278 1 20 . GLY . 4278 1 21 . ALA . 4278 1 22 . GLU . 4278 1 23 . LEU . 4278 1 24 . VAL . 4278 1 25 . ASP . 4278 1 26 . ALA . 4278 1 27 . LEU . 4278 1 28 . GLN . 4278 1 29 . PHE . 4278 1 30 . VAL . 4278 1 31 . CYS . 4278 1 32 . GLY . 4278 1 33 . ASP . 4278 1 34 . ARG . 4278 1 35 . GLY . 4278 1 36 . PHE . 4278 1 37 . TYR . 4278 1 38 . PHE . 4278 1 39 . ASN . 4278 1 40 . LYS . 4278 1 41 . PRO . 4278 1 42 . THR . 4278 1 43 . GLY . 4278 1 44 . TYR . 4278 1 45 . GLY . 4278 1 46 . SER . 4278 1 47 . SER . 4278 1 48 . SER . 4278 1 49 . ARG . 4278 1 50 . ARG . 4278 1 51 . ALA . 4278 1 52 . PRO . 4278 1 53 . GLN . 4278 1 54 . THR . 4278 1 55 . GLY . 4278 1 56 . ILE . 4278 1 57 . VAL . 4278 1 58 . ASP . 4278 1 59 . GLU . 4278 1 60 . CYS . 4278 1 61 . CYS . 4278 1 62 . PHE . 4278 1 63 . ARG . 4278 1 64 . SER . 4278 1 65 . CYS . 4278 1 66 . ASP . 4278 1 67 . LEU . 4278 1 68 . ARG . 4278 1 69 . ARG . 4278 1 70 . LEU . 4278 1 71 . GLU . 4278 1 72 . MET . 4278 1 73 . LEU . 4278 1 74 . CYS . 4278 1 75 . ALA . 4278 1 76 . PRO . 4278 1 77 . LEU . 4278 1 78 . LYS . 4278 1 79 . PRO . 4278 1 80 . ALA . 4278 1 81 . LYS . 4278 1 82 . SER . 4278 1 83 . ALA . 4278 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4278 1 . PHE 2 2 4278 1 . PRO 3 3 4278 1 . ALA 4 4 4278 1 . MET 5 5 4278 1 . PRO 6 6 4278 1 . LEU 7 7 4278 1 . SER 8 8 4278 1 . SER 9 9 4278 1 . LEU 10 10 4278 1 . PHE 11 11 4278 1 . VAL 12 12 4278 1 . ASN 13 13 4278 1 . GLY 14 14 4278 1 . PRO 15 15 4278 1 . GLU 16 16 4278 1 . THR 17 17 4278 1 . LEU 18 18 4278 1 . CYS 19 19 4278 1 . GLY 20 20 4278 1 . ALA 21 21 4278 1 . GLU 22 22 4278 1 . LEU 23 23 4278 1 . VAL 24 24 4278 1 . ASP 25 25 4278 1 . ALA 26 26 4278 1 . LEU 27 27 4278 1 . GLN 28 28 4278 1 . PHE 29 29 4278 1 . VAL 30 30 4278 1 . CYS 31 31 4278 1 . GLY 32 32 4278 1 . ASP 33 33 4278 1 . ARG 34 34 4278 1 . GLY 35 35 4278 1 . PHE 36 36 4278 1 . TYR 37 37 4278 1 . PHE 38 38 4278 1 . ASN 39 39 4278 1 . LYS 40 40 4278 1 . PRO 41 41 4278 1 . THR 42 42 4278 1 . GLY 43 43 4278 1 . TYR 44 44 4278 1 . GLY 45 45 4278 1 . SER 46 46 4278 1 . SER 47 47 4278 1 . SER 48 48 4278 1 . ARG 49 49 4278 1 . ARG 50 50 4278 1 . ALA 51 51 4278 1 . PRO 52 52 4278 1 . GLN 53 53 4278 1 . THR 54 54 4278 1 . GLY 55 55 4278 1 . ILE 56 56 4278 1 . VAL 57 57 4278 1 . ASP 58 58 4278 1 . GLU 59 59 4278 1 . CYS 60 60 4278 1 . CYS 61 61 4278 1 . PHE 62 62 4278 1 . ARG 63 63 4278 1 . SER 64 64 4278 1 . CYS 65 65 4278 1 . ASP 66 66 4278 1 . LEU 67 67 4278 1 . ARG 68 68 4278 1 . ARG 69 69 4278 1 . LEU 70 70 4278 1 . GLU 71 71 4278 1 . MET 72 72 4278 1 . LEU 73 73 4278 1 . CYS 74 74 4278 1 . ALA 75 75 4278 1 . PRO 76 76 4278 1 . LEU 77 77 4278 1 . LYS 78 78 4278 1 . PRO 79 79 4278 1 . ALA 80 80 4278 1 . LYS 81 81 4278 1 . SER 82 82 4278 1 . ALA 83 83 4278 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 4278 _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 $Long-L60-IGF-I . 9606 organism . 'homo sapiens' human . . Eukaryota Metazoa homo sapiens . . . . . . . . . . . . . . . . . . . . . 4278 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 4278 _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 $Long-L60-IGF-I . 'recombinant technology' 'Escherichia coli' E.Coli . . Escherichia coli JM101 . . . . . . . . . . . . plasmid . . p[Met1]-pGH(11)-Val-Asn-IGF-I . . . ; Long-[L60]-IGF-I was prepared by site directed mutagenesis of Long-IGF-I to replace the tyrosine at postion 60 of IGF-I with a Leucine ; . . 4278 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4278 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 IGF-I '[U-98% 15N]' . . 1 $Long-L60-IGF-I . . 1.0 . . mM . . . . 4278 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4278 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'sample was equilibrated for 10min at 30c prior to collecting spectra' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 3.0 0.4 n/a 4278 1 temperature 303 0.5 K 4278 1 stop_ save_ save_sample_conditions_two _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_two _Sample_condition_list.Entry_ID 4278 _Sample_condition_list.ID 2 _Sample_condition_list.Details 'sample was equilibrated for 10min at 20c prior to collecting spectra' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 3.0 0.4 n/a 4278 2 temperature 293 0.5 K 4278 2 stop_ save_ ############################ # Computer software used # ############################ save_software_one _Software.Sf_category software _Software.Sf_framecode software_one _Software.Entry_ID 4278 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectral Processing' 4278 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $citation_two 4278 1 stop_ save_ save_software_two _Software.Sf_category software _Software.Sf_framecode software_two _Software.Entry_ID 4278 _Software.ID 2 _Software.Name XEASY _Software.Version 1.3.10 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectral Analysis and Peak Picking' 4278 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 4 $citation_three 4278 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4278 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4278 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_one Varian INOVA . 600 . . . 4278 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 4278 _Experiment_list.ID 1 _Experiment_list.Details 'Equipped with Penta Probe and Triple axis gradient capabilities.' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' . . . . . . . . . . . 1 $sample_one . . . . . . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4278 1 2 '2D 1H-15N HSQC-TOCSY' . . . . . . . . . . . 1 $sample_one . . . . . . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4278 1 3 '2D 1H-15N HSQC-NOESY' . . . . . . . . . . . 1 $sample_one . . . . . . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4278 1 4 '3D 15N NOESY-HSQC' . . . . . . . . . . . 1 $sample_one . . . . . . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4278 1 5 '3D 15N TOCSY-HSQC' . . . . . . . . . . . 1 $sample_one . . . . . . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4278 1 6 '2D 1H NOESY' . . . . . . . . . . . 1 $sample_one . . . . . . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4278 1 7 '3D 15N HNHA' . . . . . . . . . . . 1 $sample_one . . . . . . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4278 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4278 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_one _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4278 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-15N HSQC-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_one _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4278 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 1H-15N HSQC-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_one _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4278 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D 15N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_one _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4278 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D 15N TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_one _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4278 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '2D 1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_one _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4278 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D 15N HNHA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_one _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4278 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4278 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4278 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_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4278 _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_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; Resonances were not observed for a small number of residues at this temperature. These resonances were observed at a lower temperature (20c) A few unassigned signals were observed that may correspond to a minor conformational species. ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4278 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.17 . . 1 . . . . . . . . 4278 1 2 . 1 1 1 1 MET HA H 1 4.25 . . 1 . . . . . . . . 4278 1 3 . 1 1 1 1 MET HB2 H 1 1.76 . . 1 . . . . . . . . 4278 1 4 . 1 1 1 1 MET HB3 H 1 1.82 . . 1 . . . . . . . . 4278 1 5 . 1 1 1 1 MET HG2 H 1 1.40 . . 1 . . . . . . . . 4278 1 6 . 1 1 1 1 MET HG3 H 1 1.40 . . 1 . . . . . . . . 4278 1 7 . 1 1 1 1 MET N N 15 120.29 . . 1 . . . . . . . . 4278 1 8 . 1 1 2 2 PHE H H 1 8.55 . . 1 . . . . . . . . 4278 1 9 . 1 1 2 2 PHE HA H 1 4.87 . . 1 . . . . . . . . 4278 1 10 . 1 1 2 2 PHE HB2 H 1 3.10 . . 2 . . . . . . . . 4278 1 11 . 1 1 2 2 PHE HB3 H 1 2.89 . . 2 . . . . . . . . 4278 1 12 . 1 1 2 2 PHE HD1 H 1 7.10 . . 1 . . . . . . . . 4278 1 13 . 1 1 2 2 PHE HD2 H 1 7.10 . . 1 . . . . . . . . 4278 1 14 . 1 1 2 2 PHE N N 15 124.22 . . 1 . . . . . . . . 4278 1 15 . 1 1 3 3 PRO HB2 H 1 2.00 . . 2 . . . . . . . . 4278 1 16 . 1 1 3 3 PRO HB3 H 1 1.92 . . 2 . . . . . . . . 4278 1 17 . 1 1 3 3 PRO HG2 H 1 1.84 . . 2 . . . . . . . . 4278 1 18 . 1 1 3 3 PRO HG3 H 1 1.79 . . 2 . . . . . . . . 4278 1 19 . 1 1 3 3 PRO HD2 H 1 3.62 . . 1 . . . . . . . . 4278 1 20 . 1 1 3 3 PRO HD3 H 1 3.62 . . 1 . . . . . . . . 4278 1 21 . 1 1 4 4 ALA H H 1 8.30 . . 1 . . . . . . . . 4278 1 22 . 1 1 4 4 ALA HA H 1 4.23 . . 1 . . . . . . . . 4278 1 23 . 1 1 4 4 ALA HB1 H 1 1.33 . . 1 . . . . . . . . 4278 1 24 . 1 1 4 4 ALA HB2 H 1 1.33 . . 1 . . . . . . . . 4278 1 25 . 1 1 4 4 ALA HB3 H 1 1.33 . . 1 . . . . . . . . 4278 1 26 . 1 1 4 4 ALA N N 15 124.44 . . 1 . . . . . . . . 4278 1 27 . 1 1 5 5 MET H H 1 8.04 . . 1 . . . . . . . . 4278 1 28 . 1 1 5 5 MET HA H 1 4.65 . . 1 . . . . . . . . 4278 1 29 . 1 1 5 5 MET HB2 H 1 1.84 . . 1 . . . . . . . . 4278 1 30 . 1 1 5 5 MET HB3 H 1 1.84 . . 1 . . . . . . . . 4278 1 31 . 1 1 5 5 MET HG2 H 1 2.45 . . 1 . . . . . . . . 4278 1 32 . 1 1 5 5 MET HG3 H 1 2.45 . . 1 . . . . . . . . 4278 1 33 . 1 1 5 5 MET HE1 H 1 1.92 . . 1 . . . . . . . . 4278 1 34 . 1 1 5 5 MET HE2 H 1 1.92 . . 1 . . . . . . . . 4278 1 35 . 1 1 5 5 MET HE3 H 1 1.92 . . 1 . . . . . . . . 4278 1 36 . 1 1 5 5 MET N N 15 120.29 . . 1 . . . . . . . . 4278 1 37 . 1 1 6 6 PRO HA H 1 4.41 . . 1 . . . . . . . . 4278 1 38 . 1 1 6 6 PRO HB2 H 1 2.20 . . 1 . . . . . . . . 4278 1 39 . 1 1 6 6 PRO HB3 H 1 2.20 . . 1 . . . . . . . . 4278 1 40 . 1 1 6 6 PRO HG2 H 1 1.92 . . 2 . . . . . . . . 4278 1 41 . 1 1 6 6 PRO HG3 H 1 1.83 . . 2 . . . . . . . . 4278 1 42 . 1 1 6 6 PRO HD2 H 1 3.24 . . 1 . . . . . . . . 4278 1 43 . 1 1 6 6 PRO HD3 H 1 3.24 . . 1 . . . . . . . . 4278 1 44 . 1 1 7 7 LEU H H 1 8.11 . . 1 . . . . . . . . 4278 1 45 . 1 1 7 7 LEU HA H 1 4.22 . . 1 . . . . . . . . 4278 1 46 . 1 1 7 7 LEU HB2 H 1 1.31 . . 1 . . . . . . . . 4278 1 47 . 1 1 7 7 LEU HB3 H 1 1.31 . . 1 . . . . . . . . 4278 1 48 . 1 1 7 7 LEU HG H 1 1.16 . . 1 . . . . . . . . 4278 1 49 . 1 1 7 7 LEU HD11 H 1 0.76 . . 2 . . . . . . . . 4278 1 50 . 1 1 7 7 LEU HD12 H 1 0.76 . . 2 . . . . . . . . 4278 1 51 . 1 1 7 7 LEU HD13 H 1 0.76 . . 2 . . . . . . . . 4278 1 52 . 1 1 7 7 LEU HD21 H 1 0.99 . . 2 . . . . . . . . 4278 1 53 . 1 1 7 7 LEU HD22 H 1 0.99 . . 2 . . . . . . . . 4278 1 54 . 1 1 7 7 LEU HD23 H 1 0.99 . . 2 . . . . . . . . 4278 1 55 . 1 1 7 7 LEU N N 15 123.57 . . 1 . . . . . . . . 4278 1 56 . 1 1 8 8 SER H H 1 8.15 . . 1 . . . . . . . . 4278 1 57 . 1 1 8 8 SER HA H 1 4.41 . . 1 . . . . . . . . 4278 1 58 . 1 1 8 8 SER HB2 H 1 3.82 . . 1 . . . . . . . . 4278 1 59 . 1 1 8 8 SER HB3 H 1 3.82 . . 1 . . . . . . . . 4278 1 60 . 1 1 8 8 SER N N 15 117.23 . . 1 . . . . . . . . 4278 1 61 . 1 1 9 9 SER H H 1 8.23 . . 1 . . . . . . . . 4278 1 62 . 1 1 9 9 SER HA H 1 4.35 . . 1 . . . . . . . . 4278 1 63 . 1 1 9 9 SER HB2 H 1 3.78 . . 1 . . . . . . . . 4278 1 64 . 1 1 9 9 SER HB3 H 1 3.78 . . 1 . . . . . . . . 4278 1 65 . 1 1 9 9 SER N N 15 117.67 . . 1 . . . . . . . . 4278 1 66 . 1 1 10 10 LEU H H 1 8.02 . . 1 . . . . . . . . 4278 1 67 . 1 1 10 10 LEU HA H 1 4.29 . . 1 . . . . . . . . 4278 1 68 . 1 1 10 10 LEU HB2 H 1 1.59 . . 1 . . . . . . . . 4278 1 69 . 1 1 10 10 LEU HB3 H 1 1.59 . . 1 . . . . . . . . 4278 1 70 . 1 1 10 10 LEU HG H 1 1.27 . . 1 . . . . . . . . 4278 1 71 . 1 1 10 10 LEU HD11 H 1 0.79 . . 1 . . . . . . . . 4278 1 72 . 1 1 10 10 LEU HD12 H 1 0.79 . . 1 . . . . . . . . 4278 1 73 . 1 1 10 10 LEU HD13 H 1 0.79 . . 1 . . . . . . . . 4278 1 74 . 1 1 10 10 LEU HD21 H 1 0.79 . . 1 . . . . . . . . 4278 1 75 . 1 1 10 10 LEU HD22 H 1 0.79 . . 1 . . . . . . . . 4278 1 76 . 1 1 10 10 LEU HD23 H 1 0.79 . . 1 . . . . . . . . 4278 1 77 . 1 1 10 10 LEU N N 15 124.98 . . 1 . . . . . . . . 4278 1 78 . 1 1 11 11 PHE H H 1 8.08 . . 1 . . . . . . . . 4278 1 79 . 1 1 11 11 PHE HA H 1 5.00 . . 1 . . . . . . . . 4278 1 80 . 1 1 11 11 PHE HB2 H 1 3.43 . . 2 . . . . . . . . 4278 1 81 . 1 1 11 11 PHE HB3 H 1 3.23 . . 2 . . . . . . . . 4278 1 82 . 1 1 11 11 PHE HD1 H 1 7.27 . . 1 . . . . . . . . 4278 1 83 . 1 1 11 11 PHE HD2 H 1 7.27 . . 1 . . . . . . . . 4278 1 84 . 1 1 11 11 PHE N N 15 120.07 . . 1 . . . . . . . . 4278 1 85 . 1 1 12 12 VAL H H 1 7.37 . . 1 . . . . . . . . 4278 1 86 . 1 1 12 12 VAL HA H 1 3.98 . . 1 . . . . . . . . 4278 1 87 . 1 1 12 12 VAL HB H 1 2.18 . . 1 . . . . . . . . 4278 1 88 . 1 1 12 12 VAL HG11 H 1 0.86 . . 1 . . . . . . . . 4278 1 89 . 1 1 12 12 VAL HG12 H 1 0.86 . . 1 . . . . . . . . 4278 1 90 . 1 1 12 12 VAL HG13 H 1 0.86 . . 1 . . . . . . . . 4278 1 91 . 1 1 12 12 VAL HG21 H 1 0.86 . . 1 . . . . . . . . 4278 1 92 . 1 1 12 12 VAL HG22 H 1 0.86 . . 1 . . . . . . . . 4278 1 93 . 1 1 12 12 VAL HG23 H 1 0.86 . . 1 . . . . . . . . 4278 1 94 . 1 1 12 12 VAL N N 15 120.7 . . 1 . . . . . . . . 4278 1 95 . 1 1 13 13 ASN H H 1 8.47 . . 1 . . . . . . . . 4278 1 96 . 1 1 13 13 ASN HA H 1 4.37 . . 1 . . . . . . . . 4278 1 97 . 1 1 13 13 ASN HB2 H 1 2.90 . . 2 . . . . . . . . 4278 1 98 . 1 1 13 13 ASN HB3 H 1 2.81 . . 2 . . . . . . . . 4278 1 99 . 1 1 13 13 ASN N N 15 121.75 . . 1 . . . . . . . . 4278 1 100 . 1 1 14 14 GLY H H 1 8.06 . . 1 . . . . . . . . 4278 1 101 . 1 1 14 14 GLY N N 15 108.91 . . 1 . . . . . . . . 4278 1 102 . 1 1 15 15 PRO HA H 1 4.42 . . 1 . . . . . . . . 4278 1 103 . 1 1 15 15 PRO HB2 H 1 2.10 . . 1 . . . . . . . . 4278 1 104 . 1 1 15 15 PRO HB3 H 1 2.10 . . 1 . . . . . . . . 4278 1 105 . 1 1 15 15 PRO HG2 H 1 1.85 . . 1 . . . . . . . . 4278 1 106 . 1 1 15 15 PRO HG3 H 1 1.85 . . 1 . . . . . . . . 4278 1 107 . 1 1 15 15 PRO HD2 H 1 3.45 . . 1 . . . . . . . . 4278 1 108 . 1 1 15 15 PRO HD3 H 1 3.45 . . 1 . . . . . . . . 4278 1 109 . 1 1 16 16 GLU H H 1 8.25 . . 1 . . . . . . . . 4278 1 110 . 1 1 16 16 GLU HA H 1 4.66 . . 1 . . . . . . . . 4278 1 111 . 1 1 16 16 GLU HB2 H 1 2.12 . . 2 . . . . . . . . 4278 1 112 . 1 1 16 16 GLU HB3 H 1 1.92 . . 2 . . . . . . . . 4278 1 113 . 1 1 16 16 GLU HG2 H 1 2.41 . . 2 . . . . . . . . 4278 1 114 . 1 1 16 16 GLU HG3 H 1 2.26 . . 2 . . . . . . . . 4278 1 115 . 1 1 16 16 GLU N N 15 118.33 . . 1 . . . . . . . . 4278 1 116 . 1 1 17 17 THR H H 1 7.85 . . 1 . . . . . . . . 4278 1 117 . 1 1 17 17 THR HA H 1 4.32 . . 1 . . . . . . . . 4278 1 118 . 1 1 17 17 THR HB H 1 3.78 . . 1 . . . . . . . . 4278 1 119 . 1 1 17 17 THR HG21 H 1 1.31 . . 1 . . . . . . . . 4278 1 120 . 1 1 17 17 THR HG22 H 1 1.31 . . 1 . . . . . . . . 4278 1 121 . 1 1 17 17 THR HG23 H 1 1.31 . . 1 . . . . . . . . 4278 1 122 . 1 1 17 17 THR N N 15 116.14 . . 1 . . . . . . . . 4278 1 123 . 1 1 18 18 LEU H H 1 7.57 . . 1 . . . . . . . . 4278 1 124 . 1 1 18 18 LEU HA H 1 3.95 . . 1 . . . . . . . . 4278 1 125 . 1 1 18 18 LEU HB2 H 1 2.03 . . 1 . . . . . . . . 4278 1 126 . 1 1 18 18 LEU HB3 H 1 2.03 . . 1 . . . . . . . . 4278 1 127 . 1 1 18 18 LEU HG H 1 1.66 . . 1 . . . . . . . . 4278 1 128 . 1 1 18 18 LEU HD11 H 1 0.87 . . 1 . . . . . . . . 4278 1 129 . 1 1 18 18 LEU HD12 H 1 0.87 . . 1 . . . . . . . . 4278 1 130 . 1 1 18 18 LEU HD13 H 1 0.87 . . 1 . . . . . . . . 4278 1 131 . 1 1 18 18 LEU HD21 H 1 0.87 . . 1 . . . . . . . . 4278 1 132 . 1 1 18 18 LEU HD22 H 1 0.87 . . 1 . . . . . . . . 4278 1 133 . 1 1 18 18 LEU HD23 H 1 0.87 . . 1 . . . . . . . . 4278 1 134 . 1 1 18 18 LEU N N 15 119.20 . . 1 . . . . . . . . 4278 1 135 . 1 1 19 19 CYS H H 1 8.33 . . 1 . . . . . . . . 4278 1 136 . 1 1 19 19 CYS HA H 1 4.89 . . 1 . . . . . . . . 4278 1 137 . 1 1 19 19 CYS HB2 H 1 2.89 . . 2 . . . . . . . . 4278 1 138 . 1 1 19 19 CYS HB3 H 1 2.61 . . 2 . . . . . . . . 4278 1 139 . 1 1 19 19 CYS N N 15 118.33 . . 1 . . . . . . . . 4278 1 140 . 1 1 20 20 GLY H H 1 7.63 . . 1 . . . . . . . . 4278 1 141 . 1 1 20 20 GLY HA2 H 1 3.91 . . 2 . . . . . . . . 4278 1 142 . 1 1 20 20 GLY HA3 H 1 3.58 . . 2 . . . . . . . . 4278 1 143 . 1 1 20 20 GLY N N 15 108.28 . . 1 . . . . . . . . 4278 1 144 . 1 1 21 21 ALA H H 1 8.83 . . 1 . . . . . . . . 4278 1 145 . 1 1 21 21 ALA HA H 1 3.86 . . 1 . . . . . . . . 4278 1 146 . 1 1 21 21 ALA HB1 H 1 1.39 . . 1 . . . . . . . . 4278 1 147 . 1 1 21 21 ALA HB2 H 1 1.39 . . 1 . . . . . . . . 4278 1 148 . 1 1 21 21 ALA HB3 H 1 1.39 . . 1 . . . . . . . . 4278 1 149 . 1 1 21 21 ALA N N 15 128.15 . . 1 . . . . . . . . 4278 1 150 . 1 1 22 22 GLU H H 1 7.94 . . 1 . . . . . . . . 4278 1 151 . 1 1 22 22 GLU HA H 1 4.01 . . 1 . . . . . . . . 4278 1 152 . 1 1 22 22 GLU HB2 H 1 2.17 . . 2 . . . . . . . . 4278 1 153 . 1 1 22 22 GLU HB3 H 1 2.01 . . 2 . . . . . . . . 4278 1 154 . 1 1 22 22 GLU HG2 H 1 2.63 . . 2 . . . . . . . . 4278 1 155 . 1 1 22 22 GLU HG3 H 1 2.51 . . 2 . . . . . . . . 4278 1 156 . 1 1 22 22 GLU N N 15 115.05 . . 1 . . . . . . . . 4278 1 157 . 1 1 23 23 LEU H H 1 6.87 . . 1 . . . . . . . . 4278 1 158 . 1 1 23 23 LEU HA H 1 4.09 . . 1 . . . . . . . . 4278 1 159 . 1 1 23 23 LEU HB2 H 1 1.90 . . 1 . . . . . . . . 4278 1 160 . 1 1 23 23 LEU HB3 H 1 1.81 . . 1 . . . . . . . . 4278 1 161 . 1 1 23 23 LEU HG H 1 1.21 . . 1 . . . . . . . . 4278 1 162 . 1 1 23 23 LEU HD11 H 1 1.14 . . 2 . . . . . . . . 4278 1 163 . 1 1 23 23 LEU HD12 H 1 1.14 . . 2 . . . . . . . . 4278 1 164 . 1 1 23 23 LEU HD13 H 1 1.14 . . 2 . . . . . . . . 4278 1 165 . 1 1 23 23 LEU HD21 H 1 0.88 . . 2 . . . . . . . . 4278 1 166 . 1 1 23 23 LEU HD22 H 1 0.88 . . 2 . . . . . . . . 4278 1 167 . 1 1 23 23 LEU HD23 H 1 0.88 . . 2 . . . . . . . . 4278 1 168 . 1 1 23 23 LEU N N 15 120.29 . . 1 . . . . . . . . 4278 1 169 . 1 1 24 24 VAL H H 1 7.38 . . 1 . . . . . . . . 4278 1 170 . 1 1 24 24 VAL HA H 1 3.26 . . 1 . . . . . . . . 4278 1 171 . 1 1 24 24 VAL HB H 1 1.97 . . 1 . . . . . . . . 4278 1 172 . 1 1 24 24 VAL HG11 H 1 0.99 . . 2 . . . . . . . . 4278 1 173 . 1 1 24 24 VAL HG12 H 1 0.99 . . 2 . . . . . . . . 4278 1 174 . 1 1 24 24 VAL HG13 H 1 0.99 . . 2 . . . . . . . . 4278 1 175 . 1 1 24 24 VAL HG21 H 1 0.82 . . 2 . . . . . . . . 4278 1 176 . 1 1 24 24 VAL HG22 H 1 0.82 . . 2 . . . . . . . . 4278 1 177 . 1 1 24 24 VAL HG23 H 1 0.82 . . 2 . . . . . . . . 4278 1 178 . 1 1 24 24 VAL N N 15 117.89 . . 1 . . . . . . . . 4278 1 179 . 1 1 25 25 ASP H H 1 8.11 . . 1 . . . . . . . . 4278 1 180 . 1 1 25 25 ASP HA H 1 4.03 . . 1 . . . . . . . . 4278 1 181 . 1 1 25 25 ASP HB2 H 1 2.85 . . 2 . . . . . . . . 4278 1 182 . 1 1 25 25 ASP HB3 H 1 2.74 . . 2 . . . . . . . . 4278 1 183 . 1 1 25 25 ASP N N 15 117.23 . . 1 . . . . . . . . 4278 1 184 . 1 1 26 26 ALA H H 1 7.76 . . 1 . . . . . . . . 4278 1 185 . 1 1 26 26 ALA HA H 1 3.99 . . 1 . . . . . . . . 4278 1 186 . 1 1 26 26 ALA HB1 H 1 1.35 . . 1 . . . . . . . . 4278 1 187 . 1 1 26 26 ALA HB2 H 1 1.35 . . 1 . . . . . . . . 4278 1 188 . 1 1 26 26 ALA HB3 H 1 1.35 . . 1 . . . . . . . . 4278 1 189 . 1 1 26 26 ALA N N 15 122.26 . . 1 . . . . . . . . 4278 1 190 . 1 1 27 27 LEU H H 1 8.24 . . 1 . . . . . . . . 4278 1 191 . 1 1 27 27 LEU HA H 1 3.73 . . 1 . . . . . . . . 4278 1 192 . 1 1 27 27 LEU HB2 H 1 1.45 . . 1 . . . . . . . . 4278 1 193 . 1 1 27 27 LEU HB3 H 1 1.45 . . 1 . . . . . . . . 4278 1 194 . 1 1 27 27 LEU HG H 1 1.91 . . 1 . . . . . . . . 4278 1 195 . 1 1 27 27 LEU HD11 H 1 0.86 . . 2 . . . . . . . . 4278 1 196 . 1 1 27 27 LEU HD12 H 1 0.86 . . 2 . . . . . . . . 4278 1 197 . 1 1 27 27 LEU HD13 H 1 0.86 . . 2 . . . . . . . . 4278 1 198 . 1 1 27 27 LEU HD21 H 1 0.73 . . 2 . . . . . . . . 4278 1 199 . 1 1 27 27 LEU HD22 H 1 0.73 . . 2 . . . . . . . . 4278 1 200 . 1 1 27 27 LEU HD23 H 1 0.73 . . 2 . . . . . . . . 4278 1 201 . 1 1 27 27 LEU N N 15 118.54 . . 1 . . . . . . . . 4278 1 202 . 1 1 28 28 GLN H H 1 8.12 . . 1 . . . . . . . . 4278 1 203 . 1 1 28 28 GLN HA H 1 4.04 . . 1 . . . . . . . . 4278 1 204 . 1 1 28 28 GLN HB2 H 1 2.23 . . 2 . . . . . . . . 4278 1 205 . 1 1 28 28 GLN HB3 H 1 2.00 . . 2 . . . . . . . . 4278 1 206 . 1 1 28 28 GLN HG2 H 1 2.52 . . 2 . . . . . . . . 4278 1 207 . 1 1 28 28 GLN HG3 H 1 2.37 . . 2 . . . . . . . . 4278 1 208 . 1 1 28 28 GLN HE21 H 1 7.11 . . 2 . . . . . . . . 4278 1 209 . 1 1 28 28 GLN HE22 H 1 6.69 . . 2 . . . . . . . . 4278 1 210 . 1 1 28 28 GLN N N 15 118.54 . . 1 . . . . . . . . 4278 1 211 . 1 1 28 28 GLN NE2 N 15 110.24 . . 1 . . . . . . . . 4278 1 212 . 1 1 29 29 PHE H H 1 7.38 . . 1 . . . . . . . . 4278 1 213 . 1 1 29 29 PHE HA H 1 4.35 . . 1 . . . . . . . . 4278 1 214 . 1 1 29 29 PHE HB2 H 1 3.16 . . 1 . . . . . . . . 4278 1 215 . 1 1 29 29 PHE HB3 H 1 3.16 . . 1 . . . . . . . . 4278 1 216 . 1 1 29 29 PHE HD1 H 1 7.23 . . 1 . . . . . . . . 4278 1 217 . 1 1 29 29 PHE HD2 H 1 7.23 . . 1 . . . . . . . . 4278 1 218 . 1 1 29 29 PHE N N 15 117.89 . . 1 . . . . . . . . 4278 1 219 . 1 1 30 30 VAL H H 1 8.60 . . 1 . . . . . . . . 4278 1 220 . 1 1 30 30 VAL HA H 1 3.52 . . 1 . . . . . . . . 4278 1 221 . 1 1 30 30 VAL HB H 1 1.94 . . 1 . . . . . . . . 4278 1 222 . 1 1 30 30 VAL HG11 H 1 1.02 . . 2 . . . . . . . . 4278 1 223 . 1 1 30 30 VAL HG12 H 1 1.02 . . 2 . . . . . . . . 4278 1 224 . 1 1 30 30 VAL HG13 H 1 1.02 . . 2 . . . . . . . . 4278 1 225 . 1 1 30 30 VAL HG21 H 1 0.80 . . 2 . . . . . . . . 4278 1 226 . 1 1 30 30 VAL HG22 H 1 0.80 . . 2 . . . . . . . . 4278 1 227 . 1 1 30 30 VAL HG23 H 1 0.80 . . 2 . . . . . . . . 4278 1 228 . 1 1 30 30 VAL N N 15 117.67 . . 1 . . . . . . . . 4278 1 229 . 1 1 31 31 CYS H H 1 8.69 . . 1 . . . . . . . . 4278 1 230 . 1 1 31 31 CYS HA H 1 4.71 . . 1 . . . . . . . . 4278 1 231 . 1 1 31 31 CYS HB2 H 1 3.25 . . 2 . . . . . . . . 4278 1 232 . 1 1 31 31 CYS HB3 H 1 2.86 . . 2 . . . . . . . . 4278 1 233 . 1 1 31 31 CYS N N 15 115.05 . . 1 . . . . . . . . 4278 1 234 . 1 1 32 32 GLY H H 1 7.41 . . 1 . . . . . . . . 4278 1 235 . 1 1 32 32 GLY HA2 H 1 4.02 . . 2 . . . . . . . . 4278 1 236 . 1 1 32 32 GLY HA3 H 1 3.92 . . 2 . . . . . . . . 4278 1 237 . 1 1 32 32 GLY N N 15 108.06 . . 1 . . . . . . . . 4278 1 238 . 1 1 33 33 ASP H H 1 8.77 . . 1 . . . . . . . . 4278 1 239 . 1 1 33 33 ASP HA H 1 4.48 . . 1 . . . . . . . . 4278 1 240 . 1 1 33 33 ASP HB2 H 1 2.84 . . 1 . . . . . . . . 4278 1 241 . 1 1 33 33 ASP HB3 H 1 2.84 . . 1 . . . . . . . . 4278 1 242 . 1 1 33 33 ASP N N 15 122.48 . . 1 . . . . . . . . 4278 1 243 . 1 1 34 34 ARG H H 1 8.00 . . 1 . . . . . . . . 4278 1 244 . 1 1 34 34 ARG HA H 1 4.10 . . 1 . . . . . . . . 4278 1 245 . 1 1 34 34 ARG HB2 H 1 1.94 . . 1 . . . . . . . . 4278 1 246 . 1 1 34 34 ARG HB3 H 1 1.94 . . 1 . . . . . . . . 4278 1 247 . 1 1 34 34 ARG HG2 H 1 1.77 . . 1 . . . . . . . . 4278 1 248 . 1 1 34 34 ARG HG3 H 1 1.77 . . 1 . . . . . . . . 4278 1 249 . 1 1 34 34 ARG HD2 H 1 3.22 . . 1 . . . . . . . . 4278 1 250 . 1 1 34 34 ARG HD3 H 1 3.22 . . 1 . . . . . . . . 4278 1 251 . 1 1 34 34 ARG HE H 1 7.03 . . 1 . . . . . . . . 4278 1 252 . 1 1 34 34 ARG N N 15 118.33 . . 1 . . . . . . . . 4278 1 253 . 1 1 34 34 ARG NE N 15 117.77 . . 1 . . . . . . . . 4278 1 254 . 1 1 35 35 GLY H H 1 7.33 . . 1 . . . . . . . . 4278 1 255 . 1 1 35 35 GLY HA2 H 1 3.93 . . 2 . . . . . . . . 4278 1 256 . 1 1 35 35 GLY HA3 H 1 3.69 . . 2 . . . . . . . . 4278 1 257 . 1 1 35 35 GLY N N 15 104.0 . . 1 . . . . . . . . 4278 1 258 . 1 1 36 36 PHE H H 1 7.46 . . 1 . . . . . . . . 4278 1 259 . 1 1 36 36 PHE HA H 1 4.94 . . 1 . . . . . . . . 4278 1 260 . 1 1 36 36 PHE HB2 H 1 3.20 . . 2 . . . . . . . . 4278 1 261 . 1 1 36 36 PHE HB3 H 1 2.80 . . 2 . . . . . . . . 4278 1 262 . 1 1 36 36 PHE HD1 H 1 6.88 . . 1 . . . . . . . . 4278 1 263 . 1 1 36 36 PHE HD2 H 1 6.88 . . 1 . . . . . . . . 4278 1 264 . 1 1 36 36 PHE HE1 H 1 7.16 . . 1 . . . . . . . . 4278 1 265 . 1 1 36 36 PHE HE2 H 1 7.16 . . 1 . . . . . . . . 4278 1 266 . 1 1 36 36 PHE N N 15 114.18 . . 1 . . . . . . . . 4278 1 267 . 1 1 37 37 TYR H H 1 8.41 . . 1 . . . . . . . . 4278 1 268 . 1 1 37 37 TYR HA H 1 4.49 . . 1 . . . . . . . . 4278 1 269 . 1 1 37 37 TYR HB2 H 1 3.18 . . 2 . . . . . . . . 4278 1 270 . 1 1 37 37 TYR HB3 H 1 2.88 . . 2 . . . . . . . . 4278 1 271 . 1 1 37 37 TYR HD1 H 1 6.77 . . 1 . . . . . . . . 4278 1 272 . 1 1 37 37 TYR HD2 H 1 6.77 . . 1 . . . . . . . . 4278 1 273 . 1 1 37 37 TYR HE1 H 1 6.94 . . 1 . . . . . . . . 4278 1 274 . 1 1 37 37 TYR HE2 H 1 6.94 . . 1 . . . . . . . . 4278 1 275 . 1 1 37 37 TYR N N 15 119.64 . . 1 . . . . . . . . 4278 1 276 . 1 1 38 38 PHE H H 1 7.86 . . 1 . . . . . . . . 4278 1 277 . 1 1 38 38 PHE HA H 1 4.50 . . 1 . . . . . . . . 4278 1 278 . 1 1 38 38 PHE HB2 H 1 2.97 . . 2 . . . . . . . . 4278 1 279 . 1 1 38 38 PHE HB3 H 1 2.85 . . 2 . . . . . . . . 4278 1 280 . 1 1 38 38 PHE HD1 H 1 7.17 . . 1 . . . . . . . . 4278 1 281 . 1 1 38 38 PHE HD2 H 1 7.17 . . 1 . . . . . . . . 4278 1 282 . 1 1 38 38 PHE HE1 H 1 6.87 . . 1 . . . . . . . . 4278 1 283 . 1 1 38 38 PHE HE2 H 1 6.87 . . 1 . . . . . . . . 4278 1 284 . 1 1 38 38 PHE N N 15 120.29 . . 1 . . . . . . . . 4278 1 285 . 1 1 39 39 ASN H H 1 7.88 . . 1 . . . . . . . . 4278 1 286 . 1 1 39 39 ASN HA H 1 4.49 . . 1 . . . . . . . . 4278 1 287 . 1 1 39 39 ASN HB2 H 1 2.56 . . 1 . . . . . . . . 4278 1 288 . 1 1 39 39 ASN HB3 H 1 2.56 . . 1 . . . . . . . . 4278 1 289 . 1 1 39 39 ASN HD21 H 1 7.5 . . 2 . . . . . . . . 4278 1 290 . 1 1 39 39 ASN HD22 H 1 6.8 . . 2 . . . . . . . . 4278 1 291 . 1 1 39 39 ASN N N 15 120.07 . . 1 . . . . . . . . 4278 1 292 . 1 1 39 39 ASN ND2 N 15 112.86 . . 1 . . . . . . . . 4278 1 293 . 1 1 40 40 LYS H H 1 7.99 . . 1 . . . . . . . . 4278 1 294 . 1 1 40 40 LYS HA H 1 4.40 . . 1 . . . . . . . . 4278 1 295 . 1 1 40 40 LYS HB2 H 1 1.72 . . 2 . . . . . . . . 4278 1 296 . 1 1 40 40 LYS HB3 H 1 1.62 . . 2 . . . . . . . . 4278 1 297 . 1 1 40 40 LYS HG2 H 1 1.34 . . 4 . . . . . . . . 4278 1 298 . 1 1 40 40 LYS HG3 H 1 1.34 . . 4 . . . . . . . . 4278 1 299 . 1 1 40 40 LYS HE2 H 1 2.59 . . 1 . . . . . . . . 4278 1 300 . 1 1 40 40 LYS HE3 H 1 2.59 . . 1 . . . . . . . . 4278 1 301 . 1 1 40 40 LYS N N 15 121.82 . . 1 . . . . . . . . 4278 1 302 . 1 1 41 41 PRO HA H 1 4.43 . . 1 . . . . . . . . 4278 1 303 . 1 1 41 41 PRO HB2 H 1 2.18 . . 2 . . . . . . . . 4278 1 304 . 1 1 41 41 PRO HB3 H 1 2.11 . . 2 . . . . . . . . 4278 1 305 . 1 1 41 41 PRO HG2 H 1 1.86 . . 1 . . . . . . . . 4278 1 306 . 1 1 41 41 PRO HG3 H 1 1.86 . . 1 . . . . . . . . 4278 1 307 . 1 1 41 41 PRO HD2 H 1 3.41 . . 1 . . . . . . . . 4278 1 308 . 1 1 41 41 PRO HD3 H 1 3.41 . . 1 . . . . . . . . 4278 1 309 . 1 1 42 42 THR H H 1 8.07 . . 1 . . . . . . . . 4278 1 310 . 1 1 42 42 THR HA H 1 4.27 . . 1 . . . . . . . . 4278 1 311 . 1 1 42 42 THR HB H 1 4.15 . . 1 . . . . . . . . 4278 1 312 . 1 1 42 42 THR HG21 H 1 1.14 . . 1 . . . . . . . . 4278 1 313 . 1 1 42 42 THR HG22 H 1 1.14 . . 1 . . . . . . . . 4278 1 314 . 1 1 42 42 THR HG23 H 1 1.14 . . 1 . . . . . . . . 4278 1 315 . 1 1 42 42 THR N N 15 113.08 . . 1 . . . . . . . . 4278 1 316 . 1 1 43 43 GLY H H 1 8.20 . . 1 . . . . . . . . 4278 1 317 . 1 1 43 43 GLY HA2 H 1 3.90 . . 2 . . . . . . . . 4278 1 318 . 1 1 43 43 GLY HA3 H 1 3.80 . . 2 . . . . . . . . 4278 1 319 . 1 1 43 43 GLY N N 15 110.24 . . 1 . . . . . . . . 4278 1 320 . 1 1 44 44 TYR H H 1 8.04 . . 1 . . . . . . . . 4278 1 321 . 1 1 44 44 TYR HA H 1 4.47 . . 1 . . . . . . . . 4278 1 322 . 1 1 44 44 TYR HB2 H 1 2.97 . . 2 . . . . . . . . 4278 1 323 . 1 1 44 44 TYR HB3 H 1 2.86 . . 2 . . . . . . . . 4278 1 324 . 1 1 44 44 TYR HD1 H 1 7.03 . . 1 . . . . . . . . 4278 1 325 . 1 1 44 44 TYR HD2 H 1 7.03 . . 1 . . . . . . . . 4278 1 326 . 1 1 44 44 TYR HE1 H 1 6.88 . . 1 . . . . . . . . 4278 1 327 . 1 1 44 44 TYR HE2 H 1 6.88 . . 1 . . . . . . . . 4278 1 328 . 1 1 44 44 TYR N N 15 120.07 . . 1 . . . . . . . . 4278 1 329 . 1 1 45 45 GLY H H 1 8.30 . . 1 . . . . . . . . 4278 1 330 . 1 1 45 45 GLY HA2 H 1 3.93 . . 2 . . . . . . . . 4278 1 331 . 1 1 45 45 GLY HA3 H 1 3.79 . . 2 . . . . . . . . 4278 1 332 . 1 1 45 45 GLY N N 15 110.68 . . 1 . . . . . . . . 4278 1 333 . 1 1 46 46 SER H H 1 8.13 . . 1 . . . . . . . . 4278 1 334 . 1 1 46 46 SER HA H 1 4.38 . . 1 . . . . . . . . 4278 1 335 . 1 1 46 46 SER HB2 H 1 3.91 . . 2 . . . . . . . . 4278 1 336 . 1 1 46 46 SER HB3 H 1 3.82 . . 2 . . . . . . . . 4278 1 337 . 1 1 46 46 SER N N 15 115.49 . . 1 . . . . . . . . 4278 1 338 . 1 1 47 47 SER H H 1 8.11 . . 1 . . . . . . . . 4278 1 339 . 1 1 47 47 SER HA H 1 4.39 . . 1 . . . . . . . . 4278 1 340 . 1 1 47 47 SER HB2 H 1 3.82 . . 1 . . . . . . . . 4278 1 341 . 1 1 47 47 SER HB3 H 1 3.82 . . 1 . . . . . . . . 4278 1 342 . 1 1 47 47 SER N N 15 117.02 . . 1 . . . . . . . . 4278 1 343 . 1 1 48 48 SER H H 1 8.32 . . 1 . . . . . . . . 4278 1 344 . 1 1 48 48 SER HA H 1 4.39 . . 1 . . . . . . . . 4278 1 345 . 1 1 48 48 SER HB2 H 1 3.85 . . 1 . . . . . . . . 4278 1 346 . 1 1 48 48 SER HB3 H 1 3.85 . . 1 . . . . . . . . 4278 1 347 . 1 1 48 48 SER N N 15 117.23 . . 1 . . . . . . . . 4278 1 348 . 1 1 49 49 ARG H H 1 8.08 . . 1 . . . . . . . . 4278 1 349 . 1 1 49 49 ARG HA H 1 4.25 . . 1 . . . . . . . . 4278 1 350 . 1 1 49 49 ARG HB2 H 1 1.80 . . 2 . . . . . . . . 4278 1 351 . 1 1 49 49 ARG HB3 H 1 1.65 . . 2 . . . . . . . . 4278 1 352 . 1 1 49 49 ARG HG2 H 1 1.55 . . 1 . . . . . . . . 4278 1 353 . 1 1 49 49 ARG HG3 H 1 1.55 . . 1 . . . . . . . . 4278 1 354 . 1 1 49 49 ARG HD2 H 1 3.11 . . 1 . . . . . . . . 4278 1 355 . 1 1 49 49 ARG HD3 H 1 3.11 . . 1 . . . . . . . . 4278 1 356 . 1 1 49 49 ARG HE H 1 7.08 . . 1 . . . . . . . . 4278 1 357 . 1 1 49 49 ARG N N 15 122.04 . . 1 . . . . . . . . 4278 1 358 . 1 1 49 49 ARG NE N 15 112.43 . . 1 . . . . . . . . 4278 1 359 . 1 1 50 50 ARG H H 1 8.08 . . 1 . . . . . . . . 4278 1 360 . 1 1 50 50 ARG HA H 1 4.27 . . 1 . . . . . . . . 4278 1 361 . 1 1 50 50 ARG HB2 H 1 1.79 . . 2 . . . . . . . . 4278 1 362 . 1 1 50 50 ARG HB3 H 1 1.67 . . 2 . . . . . . . . 4278 1 363 . 1 1 50 50 ARG HG2 H 1 1.54 . . 1 . . . . . . . . 4278 1 364 . 1 1 50 50 ARG HG3 H 1 1.54 . . 1 . . . . . . . . 4278 1 365 . 1 1 50 50 ARG HD2 H 1 3.07 . . 1 . . . . . . . . 4278 1 366 . 1 1 50 50 ARG HD3 H 1 3.07 . . 1 . . . . . . . . 4278 1 367 . 1 1 50 50 ARG HE H 1 7.17 . . 1 . . . . . . . . 4278 1 368 . 1 1 50 50 ARG N N 15 121.16 . . 1 . . . . . . . . 4278 1 369 . 1 1 50 50 ARG NE N 15 112.43 . . 1 . . . . . . . . 4278 1 370 . 1 1 51 51 ALA H H 1 8.16 . . 1 . . . . . . . . 4278 1 371 . 1 1 51 51 ALA HA H 1 4.51 . . 1 . . . . . . . . 4278 1 372 . 1 1 51 51 ALA HB1 H 1 1.32 . . 1 . . . . . . . . 4278 1 373 . 1 1 51 51 ALA HB2 H 1 1.32 . . 1 . . . . . . . . 4278 1 374 . 1 1 51 51 ALA HB3 H 1 1.32 . . 1 . . . . . . . . 4278 1 375 . 1 1 51 51 ALA N N 15 125.97 . . 1 . . . . . . . . 4278 1 376 . 1 1 52 52 PRO HA H 1 4.36 . . 1 . . . . . . . . 4278 1 377 . 1 1 52 52 PRO HB2 H 1 2.16 . . 2 . . . . . . . . 4278 1 378 . 1 1 52 52 PRO HB3 H 1 2.06 . . 2 . . . . . . . . 4278 1 379 . 1 1 52 52 PRO HG2 H 1 1.95 . . 2 . . . . . . . . 4278 1 380 . 1 1 52 52 PRO HG3 H 1 1.86 . . 2 . . . . . . . . 4278 1 381 . 1 1 52 52 PRO HD2 H 1 3.40 . . 1 . . . . . . . . 4278 1 382 . 1 1 52 52 PRO HD3 H 1 3.40 . . 1 . . . . . . . . 4278 1 383 . 1 1 53 53 GLN H H 1 8.46 . . 1 . . . . . . . . 4278 1 384 . 1 1 53 53 GLN HA H 1 4.15 . . 1 . . . . . . . . 4278 1 385 . 1 1 53 53 GLN HB2 H 1 1.95 . . 2 . . . . . . . . 4278 1 386 . 1 1 53 53 GLN HB3 H 1 1.82 . . 2 . . . . . . . . 4278 1 387 . 1 1 53 53 GLN HG2 H 1 2.29 . . 1 . . . . . . . . 4278 1 388 . 1 1 53 53 GLN HG3 H 1 2.29 . . 1 . . . . . . . . 4278 1 389 . 1 1 53 53 GLN HE21 H 1 7.38 . . 2 . . . . . . . . 4278 1 390 . 1 1 53 53 GLN HE22 H 1 6.76 . . 2 . . . . . . . . 4278 1 391 . 1 1 53 53 GLN N N 15 118.32 . . 1 . . . . . . . . 4278 1 392 . 1 1 53 53 GLN NE2 N 15 111.91 . . 1 . . . . . . . . 4278 1 393 . 1 1 54 54 THR H H 1 7.85 . . 1 . . . . . . . . 4278 1 394 . 1 1 54 54 THR HA H 1 4.26 . . 1 . . . . . . . . 4278 1 395 . 1 1 54 54 THR HB H 1 4.04 . . 1 . . . . . . . . 4278 1 396 . 1 1 54 54 THR HG21 H 1 1.18 . . 1 . . . . . . . . 4278 1 397 . 1 1 54 54 THR HG22 H 1 1.18 . . 1 . . . . . . . . 4278 1 398 . 1 1 54 54 THR HG23 H 1 1.18 . . 1 . . . . . . . . 4278 1 399 . 1 1 54 54 THR N N 15 114.18 . . 1 . . . . . . . . 4278 1 400 . 1 1 55 55 GLY H H 1 8.26 . . 1 . . . . . . . . 4278 1 401 . 1 1 55 55 GLY HA2 H 1 4.06 . . 2 . . . . . . . . 4278 1 402 . 1 1 55 55 GLY HA3 H 1 3.95 . . 2 . . . . . . . . 4278 1 403 . 1 1 55 55 GLY N N 15 109.37 . . 1 . . . . . . . . 4278 1 404 . 1 1 56 56 ILE H H 1 7.74 . . 1 . . . . . . . . 4278 1 405 . 1 1 56 56 ILE HA H 1 3.85 . . 1 . . . . . . . . 4278 1 406 . 1 1 56 56 ILE HB H 1 2.00 . . 1 . . . . . . . . 4278 1 407 . 1 1 56 56 ILE HG12 H 1 1.84 . . 2 . . . . . . . . 4278 1 408 . 1 1 56 56 ILE HG13 H 1 1.58 . . 2 . . . . . . . . 4278 1 409 . 1 1 56 56 ILE HG21 H 1 1.14 . . 1 . . . . . . . . 4278 1 410 . 1 1 56 56 ILE HG22 H 1 1.14 . . 1 . . . . . . . . 4278 1 411 . 1 1 56 56 ILE HG23 H 1 1.14 . . 1 . . . . . . . . 4278 1 412 . 1 1 56 56 ILE HD11 H 1 0.87 . . 1 . . . . . . . . 4278 1 413 . 1 1 56 56 ILE HD12 H 1 0.87 . . 1 . . . . . . . . 4278 1 414 . 1 1 56 56 ILE HD13 H 1 0.87 . . 1 . . . . . . . . 4278 1 415 . 1 1 56 56 ILE N N 15 121.38 . . 1 . . . . . . . . 4278 1 416 . 1 1 57 57 VAL H H 1 7.79 . . 1 . . . . . . . . 4278 1 417 . 1 1 57 57 VAL HA H 1 3.42 . . 1 . . . . . . . . 4278 1 418 . 1 1 57 57 VAL HB H 1 2.03 . . 1 . . . . . . . . 4278 1 419 . 1 1 57 57 VAL HG11 H 1 0.89 . . 1 . . . . . . . . 4278 1 420 . 1 1 57 57 VAL HG12 H 1 0.89 . . 1 . . . . . . . . 4278 1 421 . 1 1 57 57 VAL HG13 H 1 0.89 . . 1 . . . . . . . . 4278 1 422 . 1 1 57 57 VAL HG21 H 1 0.89 . . 1 . . . . . . . . 4278 1 423 . 1 1 57 57 VAL HG22 H 1 0.89 . . 1 . . . . . . . . 4278 1 424 . 1 1 57 57 VAL HG23 H 1 0.89 . . 1 . . . . . . . . 4278 1 425 . 1 1 57 57 VAL N N 15 120.29 . . 1 . . . . . . . . 4278 1 426 . 1 1 58 58 ASP H H 1 8.06 . . 1 . . . . . . . . 4278 1 427 . 1 1 58 58 ASP HA H 1 4.30 . . 1 . . . . . . . . 4278 1 428 . 1 1 58 58 ASP HB2 H 1 2.83 . . 1 . . . . . . . . 4278 1 429 . 1 1 58 58 ASP HB3 H 1 2.83 . . 1 . . . . . . . . 4278 1 430 . 1 1 58 58 ASP N N 15 118.11 . . 1 . . . . . . . . 4278 1 431 . 1 1 59 59 GLU H H 1 7.83 . . 1 . . . . . . . . 4278 1 432 . 1 1 59 59 GLU HA H 1 4.41 . . 1 . . . . . . . . 4278 1 433 . 1 1 59 59 GLU HB2 H 1 1.76 . . 1 . . . . . . . . 4278 1 434 . 1 1 59 59 GLU HB3 H 1 1.76 . . 1 . . . . . . . . 4278 1 435 . 1 1 59 59 GLU HG2 H 1 2.15 . . 1 . . . . . . . . 4278 1 436 . 1 1 59 59 GLU HG3 H 1 2.15 . . 1 . . . . . . . . 4278 1 437 . 1 1 59 59 GLU N N 15 118.11 . . 1 . . . . . . . . 4278 1 438 . 1 1 60 60 CYS H H 1 7.22 . . 1 . . . . . . . . 4278 1 439 . 1 1 60 60 CYS HA H 1 4.93 . . 1 . . . . . . . . 4278 1 440 . 1 1 60 60 CYS HB2 H 1 3.15 . . 2 . . . . . . . . 4278 1 441 . 1 1 60 60 CYS HB3 H 1 2.73 . . 2 . . . . . . . . 4278 1 442 . 1 1 60 60 CYS N N 15 115.49 . . 1 . . . . . . . . 4278 1 443 . 1 1 61 61 CYS H H 1 8.43 . . 1 . . . . . . . . 4278 1 444 . 1 1 61 61 CYS HA H 1 4.40 . . 1 . . . . . . . . 4278 1 445 . 1 1 61 61 CYS HB2 H 1 3.42 . . 2 . . . . . . . . 4278 1 446 . 1 1 61 61 CYS HB3 H 1 3.24 . . 2 . . . . . . . . 4278 1 447 . 1 1 61 61 CYS N N 15 115.7 . . 1 . . . . . . . . 4278 1 448 . 1 1 62 62 PHE H H 1 7.89 . . 1 . . . . . . . . 4278 1 449 . 1 1 62 62 PHE HA H 1 4.73 . . 1 . . . . . . . . 4278 1 450 . 1 1 62 62 PHE HB2 H 1 3.26 . . 2 . . . . . . . . 4278 1 451 . 1 1 62 62 PHE HB3 H 1 2.85 . . 2 . . . . . . . . 4278 1 452 . 1 1 62 62 PHE HD1 H 1 7.32 . . 1 . . . . . . . . 4278 1 453 . 1 1 62 62 PHE HD2 H 1 7.32 . . 1 . . . . . . . . 4278 1 454 . 1 1 62 62 PHE N N 15 113.74 . . 1 . . . . . . . . 4278 1 455 . 1 1 63 63 ARG H H 1 7.95 . . 1 . . . . . . . . 4278 1 456 . 1 1 63 63 ARG HA H 1 4.53 . . 1 . . . . . . . . 4278 1 457 . 1 1 63 63 ARG HB2 H 1 1.89 . . 1 . . . . . . . . 4278 1 458 . 1 1 63 63 ARG HB3 H 1 1.89 . . 1 . . . . . . . . 4278 1 459 . 1 1 63 63 ARG HG2 H 1 1.57 . . 1 . . . . . . . . 4278 1 460 . 1 1 63 63 ARG HG3 H 1 1.57 . . 1 . . . . . . . . 4278 1 461 . 1 1 63 63 ARG N N 15 119.42 . . 1 . . . . . . . . 4278 1 462 . 1 1 64 64 SER H H 1 7.81 . . 1 . . . . . . . . 4278 1 463 . 1 1 64 64 SER HA H 1 4.16 . . 1 . . . . . . . . 4278 1 464 . 1 1 64 64 SER HB2 H 1 3.69 . . 1 . . . . . . . . 4278 1 465 . 1 1 64 64 SER HB3 H 1 3.69 . . 1 . . . . . . . . 4278 1 466 . 1 1 64 64 SER N N 15 112.87 . . 1 . . . . . . . . 4278 1 467 . 1 1 65 65 CYS H H 1 8.21 . . 1 . . . . . . . . 4278 1 468 . 1 1 65 65 CYS HA H 1 4.71 . . 1 . . . . . . . . 4278 1 469 . 1 1 65 65 CYS HB2 H 1 2.99 . . 2 . . . . . . . . 4278 1 470 . 1 1 65 65 CYS HB3 H 1 2.85 . . 2 . . . . . . . . 4278 1 471 . 1 1 65 65 CYS N N 15 118.98 . . 1 . . . . . . . . 4278 1 472 . 1 1 66 66 ASP H H 1 7.59 . . 1 . . . . . . . . 4278 1 473 . 1 1 66 66 ASP HA H 1 4.24 . . 1 . . . . . . . . 4278 1 474 . 1 1 66 66 ASP HB2 H 1 3.36 . . 2 . . . . . . . . 4278 1 475 . 1 1 66 66 ASP HB3 H 1 2.95 . . 2 . . . . . . . . 4278 1 476 . 1 1 66 66 ASP N N 15 116.14 . . 1 . . . . . . . . 4278 1 477 . 1 1 67 67 LEU H H 1 7.57 . . 1 . . . . . . . . 4278 1 478 . 1 1 67 67 LEU HA H 1 3.95 . . 1 . . . . . . . . 4278 1 479 . 1 1 67 67 LEU HB2 H 1 1.30 . . 1 . . . . . . . . 4278 1 480 . 1 1 67 67 LEU HB3 H 1 1.30 . . 1 . . . . . . . . 4278 1 481 . 1 1 67 67 LEU HG H 1 1.72 . . 1 . . . . . . . . 4278 1 482 . 1 1 67 67 LEU HD11 H 1 0.94 . . 1 . . . . . . . . 4278 1 483 . 1 1 67 67 LEU HD12 H 1 0.94 . . 1 . . . . . . . . 4278 1 484 . 1 1 67 67 LEU HD13 H 1 0.94 . . 1 . . . . . . . . 4278 1 485 . 1 1 67 67 LEU HD21 H 1 0.94 . . 1 . . . . . . . . 4278 1 486 . 1 1 67 67 LEU HD22 H 1 0.94 . . 1 . . . . . . . . 4278 1 487 . 1 1 67 67 LEU HD23 H 1 0.94 . . 1 . . . . . . . . 4278 1 488 . 1 1 67 67 LEU N N 15 122.48 . . 1 . . . . . . . . 4278 1 489 . 1 1 68 68 ARG H H 1 7.92 . . 1 . . . . . . . . 4278 1 490 . 1 1 68 68 ARG HA H 1 4.10 . . 1 . . . . . . . . 4278 1 491 . 1 1 68 68 ARG HB2 H 1 1.90 . . 1 . . . . . . . . 4278 1 492 . 1 1 68 68 ARG HB3 H 1 1.90 . . 1 . . . . . . . . 4278 1 493 . 1 1 68 68 ARG HG2 H 1 1.79 . . 1 . . . . . . . . 4278 1 494 . 1 1 68 68 ARG HG3 H 1 1.79 . . 1 . . . . . . . . 4278 1 495 . 1 1 68 68 ARG HD2 H 1 3.28 . . 1 . . . . . . . . 4278 1 496 . 1 1 68 68 ARG HD3 H 1 3.28 . . 1 . . . . . . . . 4278 1 497 . 1 1 68 68 ARG N N 15 119.42 . . 1 . . . . . . . . 4278 1 498 . 1 1 69 69 ARG H H 1 7.86 . . 1 . . . . . . . . 4278 1 499 . 1 1 69 69 ARG HA H 1 3.85 . . 1 . . . . . . . . 4278 1 500 . 1 1 69 69 ARG HB2 H 1 1.74 . . 1 . . . . . . . . 4278 1 501 . 1 1 69 69 ARG HB3 H 1 1.74 . . 1 . . . . . . . . 4278 1 502 . 1 1 69 69 ARG HG2 H 1 1.59 . . 1 . . . . . . . . 4278 1 503 . 1 1 69 69 ARG HG3 H 1 1.59 . . 1 . . . . . . . . 4278 1 504 . 1 1 69 69 ARG HD2 H 1 3.15 . . 1 . . . . . . . . 4278 1 505 . 1 1 69 69 ARG HD3 H 1 3.15 . . 1 . . . . . . . . 4278 1 506 . 1 1 69 69 ARG HE H 1 7.37 . . 1 . . . . . . . . 4278 1 507 . 1 1 69 69 ARG N N 15 116.80 . . 1 . . . . . . . . 4278 1 508 . 1 1 69 69 ARG NE N 15 112.86 . . 1 . . . . . . . . 4278 1 509 . 1 1 70 70 LEU H H 1 7.73 . . 1 . . . . . . . . 4278 1 510 . 1 1 70 70 LEU HA H 1 3.88 . . 1 . . . . . . . . 4278 1 511 . 1 1 70 70 LEU HB2 H 1 1.93 . . 1 . . . . . . . . 4278 1 512 . 1 1 70 70 LEU HB3 H 1 1.93 . . 1 . . . . . . . . 4278 1 513 . 1 1 70 70 LEU HG H 1 1.81 . . 1 . . . . . . . . 4278 1 514 . 1 1 70 70 LEU HD11 H 1 1.03 . . 2 . . . . . . . . 4278 1 515 . 1 1 70 70 LEU HD12 H 1 1.03 . . 2 . . . . . . . . 4278 1 516 . 1 1 70 70 LEU HD13 H 1 1.03 . . 2 . . . . . . . . 4278 1 517 . 1 1 70 70 LEU HD21 H 1 0.77 . . 2 . . . . . . . . 4278 1 518 . 1 1 70 70 LEU HD22 H 1 0.77 . . 2 . . . . . . . . 4278 1 519 . 1 1 70 70 LEU HD23 H 1 0.77 . . 2 . . . . . . . . 4278 1 520 . 1 1 70 70 LEU N N 15 117.02 . . 1 . . . . . . . . 4278 1 521 . 1 1 71 71 GLU H H 1 8.15 . . 1 . . . . . . . . 4278 1 522 . 1 1 71 71 GLU HA H 1 4.05 . . 1 . . . . . . . . 4278 1 523 . 1 1 71 71 GLU HB2 H 1 2.07 . . 2 . . . . . . . . 4278 1 524 . 1 1 71 71 GLU HB3 H 1 1.95 . . 2 . . . . . . . . 4278 1 525 . 1 1 71 71 GLU HG2 H 1 2.49 . . 2 . . . . . . . . 4278 1 526 . 1 1 71 71 GLU HG3 H 1 2.29 . . 2 . . . . . . . . 4278 1 527 . 1 1 71 71 GLU N N 15 113.74 . . 1 . . . . . . . . 4278 1 528 . 1 1 72 72 MET H H 1 7.53 . . 1 . . . . . . . . 4278 1 529 . 1 1 72 72 MET HA H 1 4.18 . . 1 . . . . . . . . 4278 1 530 . 1 1 72 72 MET HB2 H 1 2.32 . . 2 . . . . . . . . 4278 1 531 . 1 1 72 72 MET HB3 H 1 2.12 . . 2 . . . . . . . . 4278 1 532 . 1 1 72 72 MET HG2 H 1 2.89 . . 2 . . . . . . . . 4278 1 533 . 1 1 72 72 MET HG3 H 1 2.59 . . 2 . . . . . . . . 4278 1 534 . 1 1 72 72 MET HE1 H 1 1.82 . . 1 . . . . . . . . 4278 1 535 . 1 1 72 72 MET HE2 H 1 1.82 . . 1 . . . . . . . . 4278 1 536 . 1 1 72 72 MET HE3 H 1 1.82 . . 1 . . . . . . . . 4278 1 537 . 1 1 72 72 MET N N 15 117.23 . . 1 . . . . . . . . 4278 1 538 . 1 1 73 73 LEU H H 1 7.76 . . 1 . . . . . . . . 4278 1 539 . 1 1 73 73 LEU HA H 1 4.03 . . 1 . . . . . . . . 4278 1 540 . 1 1 73 73 LEU HB2 H 1 1.78 . . 1 . . . . . . . . 4278 1 541 . 1 1 73 73 LEU HB3 H 1 1.78 . . 1 . . . . . . . . 4278 1 542 . 1 1 73 73 LEU HG H 1 2.15 . . 1 . . . . . . . . 4278 1 543 . 1 1 73 73 LEU HD11 H 1 0.89 . . 1 . . . . . . . . 4278 1 544 . 1 1 73 73 LEU HD12 H 1 0.89 . . 1 . . . . . . . . 4278 1 545 . 1 1 73 73 LEU HD13 H 1 0.89 . . 1 . . . . . . . . 4278 1 546 . 1 1 73 73 LEU HD21 H 1 0.89 . . 1 . . . . . . . . 4278 1 547 . 1 1 73 73 LEU HD22 H 1 0.89 . . 1 . . . . . . . . 4278 1 548 . 1 1 73 73 LEU HD23 H 1 0.89 . . 1 . . . . . . . . 4278 1 549 . 1 1 73 73 LEU N N 15 117.89 . . 1 . . . . . . . . 4278 1 550 . 1 1 74 74 CYS H H 1 7.22 . . 1 . . . . . . . . 4278 1 551 . 1 1 74 74 CYS HA H 1 4.93 . . 1 . . . . . . . . 4278 1 552 . 1 1 74 74 CYS HB2 H 1 3.16 . . 2 . . . . . . . . 4278 1 553 . 1 1 74 74 CYS HB3 H 1 2.73 . . 2 . . . . . . . . 4278 1 554 . 1 1 74 74 CYS N N 15 115.27 . . 1 . . . . . . . . 4278 1 555 . 1 1 76 76 PRO HA H 1 4.33 . . 1 . . . . . . . . 4278 1 556 . 1 1 76 76 PRO HB2 H 1 2.15 . . 2 . . . . . . . . 4278 1 557 . 1 1 76 76 PRO HB3 H 1 2.05 . . 2 . . . . . . . . 4278 1 558 . 1 1 76 76 PRO HG2 H 1 1.85 . . 2 . . . . . . . . 4278 1 559 . 1 1 76 76 PRO HG3 H 1 1.79 . . 2 . . . . . . . . 4278 1 560 . 1 1 76 76 PRO HD2 H 1 3.39 . . 1 . . . . . . . . 4278 1 561 . 1 1 76 76 PRO HD3 H 1 3.39 . . 1 . . . . . . . . 4278 1 562 . 1 1 77 77 LEU H H 1 8.24 . . 1 . . . . . . . . 4278 1 563 . 1 1 77 77 LEU HA H 1 4.53 . . 1 . . . . . . . . 4278 1 564 . 1 1 77 77 LEU HB2 H 1 1.73 . . 2 . . . . . . . . 4278 1 565 . 1 1 77 77 LEU HB3 H 1 1.65 . . 2 . . . . . . . . 4278 1 566 . 1 1 77 77 LEU HG H 1 1.49 . . 1 . . . . . . . . 4278 1 567 . 1 1 77 77 LEU HD11 H 1 0.85 . . 1 . . . . . . . . 4278 1 568 . 1 1 77 77 LEU HD12 H 1 0.85 . . 1 . . . . . . . . 4278 1 569 . 1 1 77 77 LEU HD13 H 1 0.85 . . 1 . . . . . . . . 4278 1 570 . 1 1 77 77 LEU HD21 H 1 0.85 . . 1 . . . . . . . . 4278 1 571 . 1 1 77 77 LEU HD22 H 1 0.85 . . 1 . . . . . . . . 4278 1 572 . 1 1 77 77 LEU HD23 H 1 0.85 . . 1 . . . . . . . . 4278 1 573 . 1 1 77 77 LEU N N 15 123.57 . . 1 . . . . . . . . 4278 1 574 . 1 1 78 78 LYS H H 1 8.18 . . 1 . . . . . . . . 4278 1 575 . 1 1 78 78 LYS HA H 1 4.14 . . 1 . . . . . . . . 4278 1 576 . 1 1 78 78 LYS HB2 H 1 1.49 . . 1 . . . . . . . . 4278 1 577 . 1 1 78 78 LYS HB3 H 1 1.49 . . 1 . . . . . . . . 4278 1 578 . 1 1 78 78 LYS HG2 H 1 1.95 . . 2 . . . . . . . . 4278 1 579 . 1 1 78 78 LYS HG3 H 1 1.82 . . 2 . . . . . . . . 4278 1 580 . 1 1 78 78 LYS HE2 H 1 2.27 . . 1 . . . . . . . . 4278 1 581 . 1 1 78 78 LYS HE3 H 1 2.27 . . 1 . . . . . . . . 4278 1 582 . 1 1 78 78 LYS N N 15 122.04 . . 1 . . . . . . . . 4278 1 583 . 1 1 79 79 PRO HA H 1 4.37 . . 1 . . . . . . . . 4278 1 584 . 1 1 79 79 PRO HB2 H 1 2.16 . . 2 . . . . . . . . 4278 1 585 . 1 1 79 79 PRO HB3 H 1 2.10 . . 2 . . . . . . . . 4278 1 586 . 1 1 79 79 PRO HG2 H 1 1.88 . . 1 . . . . . . . . 4278 1 587 . 1 1 79 79 PRO HG3 H 1 1.88 . . 1 . . . . . . . . 4278 1 588 . 1 1 79 79 PRO HD2 H 1 3.39 . . 1 . . . . . . . . 4278 1 589 . 1 1 79 79 PRO HD3 H 1 3.39 . . 1 . . . . . . . . 4278 1 590 . 1 1 80 80 ALA H H 1 8.30 . . 1 . . . . . . . . 4278 1 591 . 1 1 80 80 ALA HA H 1 4.32 . . 1 . . . . . . . . 4278 1 592 . 1 1 80 80 ALA HB1 H 1 1.33 . . 1 . . . . . . . . 4278 1 593 . 1 1 80 80 ALA HB2 H 1 1.33 . . 1 . . . . . . . . 4278 1 594 . 1 1 80 80 ALA HB3 H 1 1.33 . . 1 . . . . . . . . 4278 1 595 . 1 1 80 80 ALA N N 15 124.66 . . 1 . . . . . . . . 4278 1 596 . 1 1 81 81 LYS H H 1 8.19 . . 1 . . . . . . . . 4278 1 597 . 1 1 81 81 LYS HA H 1 4.03 . . 1 . . . . . . . . 4278 1 598 . 1 1 81 81 LYS HB2 H 1 1.54 . . 2 . . . . . . . . 4278 1 599 . 1 1 81 81 LYS HB3 H 1 1.41 . . 2 . . . . . . . . 4278 1 600 . 1 1 81 81 LYS HG2 H 1 1.83 . . 1 . . . . . . . . 4278 1 601 . 1 1 81 81 LYS HG3 H 1 1.83 . . 1 . . . . . . . . 4278 1 602 . 1 1 81 81 LYS N N 15 122.26 . . 1 . . . . . . . . 4278 1 603 . 1 1 82 82 SER H H 1 7.93 . . 1 . . . . . . . . 4278 1 604 . 1 1 82 82 SER HA H 1 4.14 . . 1 . . . . . . . . 4278 1 605 . 1 1 82 82 SER HB2 H 1 3.88 . . 2 . . . . . . . . 4278 1 606 . 1 1 82 82 SER HB3 H 1 3.77 . . 2 . . . . . . . . 4278 1 607 . 1 1 82 82 SER N N 15 112.87 . . 1 . . . . . . . . 4278 1 608 . 1 1 83 83 ALA H H 1 8.09 . . 1 . . . . . . . . 4278 1 609 . 1 1 83 83 ALA HA H 1 4.17 . . 1 . . . . . . . . 4278 1 610 . 1 1 83 83 ALA HB1 H 1 1.31 . . 1 . . . . . . . . 4278 1 611 . 1 1 83 83 ALA HB2 H 1 1.31 . . 1 . . . . . . . . 4278 1 612 . 1 1 83 83 ALA HB3 H 1 1.31 . . 1 . . . . . . . . 4278 1 613 . 1 1 83 83 ALA N N 15 128.59 . . 1 . . . . . . . . 4278 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants _Coupling_constant_list.Entry_ID 4278 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_one _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details ; 3JHNHA coupling constants were measured at two transforms, one phased in pure absorption and the other in pure dispersion, of the DQF-COSY spectrum. From these values the real coupling constants were calculated according to Kim, Y. and Prestegard, J.H. (1989) J. Magn. Reson. 84, 9-13 ; _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_one . 4278 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 1 1 MET H H 1 . . 1 1 1 1 MET HA H 1 . 7.6 . . 0.1 . . . . . . . . . . . 4278 1 2 3JHNHA . 1 1 2 2 PHE H H 1 . . 1 1 2 2 PHE HA H 1 . 5.6 . . 0.1 . . . . . . . . . . . 4278 1 3 3JHNHA . 1 1 4 4 ALA H H 1 . . 1 1 4 4 ALA HA H 1 . 6.3 . . 0.1 . . . . . . . . . . . 4278 1 4 3JHNHA . 1 1 5 5 MET H H 1 . . 1 1 5 5 MET HA H 1 . 7.6 . . 0.1 . . . . . . . . . . . 4278 1 5 3JHNHA . 1 1 7 7 LEU H H 1 . . 1 1 7 7 LEU HA H 1 . 6.2 . . 0.1 . . . . . . . . . . . 4278 1 6 3JHNHA . 1 1 9 9 SER H H 1 . . 1 1 9 9 SER HA H 1 . 7.9 . . 0.1 . . . . . . . . . . . 4278 1 7 3JHNHA . 1 1 10 10 LEU H H 1 . . 1 1 10 10 LEU HA H 1 . 8.4 . . 0.1 . . . . . . . . . . . 4278 1 8 3JHNHA . 1 1 13 13 ASN H H 1 . . 1 1 13 13 ASN HA H 1 . 6.0 . . 0.1 . . . . . . . . . . . 4278 1 9 3JHNHA . 1 1 16 16 GLU H H 1 . . 1 1 16 16 GLU HA H 1 . 9.1 . . 0.1 . . . . . . . . . . . 4278 1 10 3JHNHA . 1 1 17 17 THR H H 1 . . 1 1 17 17 THR HA H 1 . 7.6 . . 0.1 . . . . . . . . . . . 4278 1 11 3JHNHA . 1 1 18 18 LEU H H 1 . . 1 1 18 18 LEU HA H 1 . 5.8 . . 0.1 . . . . . . . . . . . 4278 1 12 3JHNHA . 1 1 19 19 CYS H H 1 . . 1 1 19 19 CYS HA H 1 . 9.1 . . 0.1 . . . . . . . . . . . 4278 1 13 3JHNHA . 1 1 21 21 ALA H H 1 . . 1 1 21 21 ALA HA H 1 . 5.6 . . 0.1 . . . . . . . . . . . 4278 1 14 3JHNHA . 1 1 22 22 GLU H H 1 . . 1 1 22 22 GLU HA H 1 . 5.5 . . 0.1 . . . . . . . . . . . 4278 1 15 3JHNHA . 1 1 24 24 VAL H H 1 . . 1 1 24 24 VAL HA H 1 . 5.3 . . 0.1 . . . . . . . . . . . 4278 1 16 3JHNHA . 1 1 26 26 ALA H H 1 . . 1 1 26 26 ALA HA H 1 . 5.1 . . 0.1 . . . . . . . . . . . 4278 1 17 3JHNHA . 1 1 29 29 PHE H H 1 . . 1 1 29 29 PHE HA H 1 . 6.3 . . 0.1 . . . . . . . . . . . 4278 1 18 3JHNHA . 1 1 30 30 VAL H H 1 . . 1 1 30 30 VAL HA H 1 . 6.4 . . 0.1 . . . . . . . . . . . 4278 1 19 3JHNHA . 1 1 31 31 CYS H H 1 . . 1 1 31 31 CYS HA H 1 . 5.2 . . 0.1 . . . . . . . . . . . 4278 1 20 3JHNHA . 1 1 33 33 ASP H H 1 . . 1 1 33 33 ASP HA H 1 . 5.3 . . 0.1 . . . . . . . . . . . 4278 1 21 3JHNHA . 1 1 34 34 ARG H H 1 . . 1 1 34 34 ARG HA H 1 . 7.5 . . 0.1 . . . . . . . . . . . 4278 1 22 3JHNHA . 1 1 37 37 TYR H H 1 . . 1 1 37 37 TYR HA H 1 . 6.3 . . 0.1 . . . . . . . . . . . 4278 1 23 3JHNHA . 1 1 38 38 PHE H H 1 . . 1 1 38 38 PHE HA H 1 . 4.8 . . 0.1 . . . . . . . . . . . 4278 1 24 3JHNHA . 1 1 39 39 ASN H H 1 . . 1 1 39 39 ASN HA H 1 . 4.1 . . 0.1 . . . . . . . . . . . 4278 1 25 3JHNHA . 1 1 40 40 LYS H H 1 . . 1 1 40 40 LYS HA H 1 . 7.0 . . 0.1 . . . . . . . . . . . 4278 1 26 3JHNHA . 1 1 42 42 THR H H 1 . . 1 1 42 42 THR HA H 1 . 6.9 . . 0.1 . . . . . . . . . . . 4278 1 27 3JHNHA . 1 1 44 44 TYR H H 1 . . 1 1 44 44 TYR HA H 1 . 9.0 . . 0.1 . . . . . . . . . . . 4278 1 28 3JHNHA . 1 1 46 46 SER H H 1 . . 1 1 46 46 SER HA H 1 . 7.3 . . 0.1 . . . . . . . . . . . 4278 1 29 3JHNHA . 1 1 47 47 SER H H 1 . . 1 1 47 47 SER HA H 1 . 7.4 . . 0.1 . . . . . . . . . . . 4278 1 30 3JHNHA . 1 1 48 48 SER H H 1 . . 1 1 48 48 SER HA H 1 . 7.8 . . 0.1 . . . . . . . . . . . 4278 1 31 3JHNHA . 1 1 49 49 ARG H H 1 . . 1 1 49 49 ARG HA H 1 . 7.6 . . 0.1 . . . . . . . . . . . 4278 1 32 3JHNHA . 1 1 50 50 ARG H H 1 . . 1 1 50 50 ARG HA H 1 . 8.0 . . 0.1 . . . . . . . . . . . 4278 1 33 3JHNHA . 1 1 51 51 ALA H H 1 . . 1 1 51 51 ALA HA H 1 . 5.8 . . 0.1 . . . . . . . . . . . 4278 1 34 3JHNHA . 1 1 53 53 GLN H H 1 . . 1 1 53 53 GLN HA H 1 . 6.5 . . 0.1 . . . . . . . . . . . 4278 1 35 3JHNHA . 1 1 54 54 THR H H 1 . . 1 1 54 54 THR HA H 1 . 6.4 . . 0.1 . . . . . . . . . . . 4278 1 36 3JHNHA . 1 1 56 56 ILE H H 1 . . 1 1 56 56 ILE HA H 1 . 5.0 . . 0.1 . . . . . . . . . . . 4278 1 37 3JHNHA . 1 1 57 57 VAL H H 1 . . 1 1 57 57 VAL HA H 1 . 4.3 . . 0.1 . . . . . . . . . . . 4278 1 38 3JHNHA . 1 1 58 58 ASP H H 1 . . 1 1 58 58 ASP HA H 1 . 5.7 . . 0.1 . . . . . . . . . . . 4278 1 39 3JHNHA . 1 1 59 59 GLU H H 1 . . 1 1 59 59 GLU HA H 1 . 5.5 . . 0.1 . . . . . . . . . . . 4278 1 40 3JHNHA . 1 1 60 60 CYS H H 1 . . 1 1 60 60 CYS HA H 1 . 6.1 . . 0.1 . . . . . . . . . . . 4278 1 41 3JHNHA . 1 1 62 62 PHE H H 1 . . 1 1 62 62 PHE HA H 1 . 6.4 . . 0.1 . . . . . . . . . . . 4278 1 42 3JHNHA . 1 1 64 64 SER H H 1 . . 1 1 64 64 SER HA H 1 . 6.6 . . 0.1 . . . . . . . . . . . 4278 1 43 3JHNHA . 1 1 65 65 CYS H H 1 . . 1 1 65 65 CYS HA H 1 . 7.6 . . 0.1 . . . . . . . . . . . 4278 1 44 3JHNHA . 1 1 66 66 ASP H H 1 . . 1 1 66 66 ASP HA H 1 . 4.5 . . 0.1 . . . . . . . . . . . 4278 1 45 3JHNHA . 1 1 67 67 LEU H H 1 . . 1 1 67 67 LEU HA H 1 . 5.4 . . 0.1 . . . . . . . . . . . 4278 1 46 3JHNHA . 1 1 68 68 ARG H H 1 . . 1 1 68 68 ARG HA H 1 . 5.8 . . 0.1 . . . . . . . . . . . 4278 1 47 3JHNHA . 1 1 69 69 ARG H H 1 . . 1 1 69 69 ARG HA H 1 . 3.7 . . 0.1 . . . . . . . . . . . 4278 1 48 3JHNHA . 1 1 70 70 LEU H H 1 . . 1 1 70 70 LEU HA H 1 . 4.9 . . 0.1 . . . . . . . . . . . 4278 1 49 3JHNHA . 1 1 71 71 GLU H H 1 . . 1 1 71 71 GLU HA H 1 . 5.6 . . 0.1 . . . . . . . . . . . 4278 1 50 3JHNHA . 1 1 72 72 MET H H 1 . . 1 1 72 72 MET HA H 1 . 6.2 . . 0.1 . . . . . . . . . . . 4278 1 51 3JHNHA . 1 1 73 73 LEU H H 1 . . 1 1 73 73 LEU HA H 1 . 4.2 . . 0.1 . . . . . . . . . . . 4278 1 52 3JHNHA . 1 1 74 74 CYS H H 1 . . 1 1 74 74 CYS HA H 1 . 6.1 . . 0.1 . . . . . . . . . . . 4278 1 53 3JHNHA . 1 1 75 75 ALA H H 1 . . 1 1 75 75 ALA HA H 1 . 5.3 . . 0.1 . . . . . . . . . . . 4278 1 54 3JHNHA . 1 1 77 77 LEU H H 1 . . 1 1 77 77 LEU HA H 1 . 8.4 . . 0.1 . . . . . . . . . . . 4278 1 55 3JHNHA . 1 1 78 78 LYS H H 1 . . 1 1 78 78 LYS HA H 1 . 7.7 . . 0.1 . . . . . . . . . . . 4278 1 56 3JHNHA . 1 1 80 80 ALA H H 1 . . 1 1 80 80 ALA HA H 1 . 6.3 . . 0.1 . . . . . . . . . . . 4278 1 57 3JHNHA . 1 1 81 81 LYS H H 1 . . 1 1 81 81 LYS HA H 1 . 7.5 . . 0.1 . . . . . . . . . . . 4278 1 58 3JHNHA . 1 1 82 82 SER H H 1 . . 1 1 82 82 SER HA H 1 . 6.6 . . 0.1 . . . . . . . . . . . 4278 1 59 3JHNHA . 1 1 83 83 ALA H H 1 . . 1 1 83 83 ALA HA H 1 . 7.5 . . 0.1 . . . . . . . . . . . 4278 1 stop_ save_