data_15654 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15654 _Entry.Title ; NMR Chemical Shift Assignments of Insulin-like Growth Factor-I (IGF-I) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-02-08 _Entry.Accession_date 2008-02-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Zhihe Kuang . . . 15654 2 Shenggen Yao . . . 15654 3 Kerrie McNeil . A. . 15654 4 Briony Forbes . E. . 15654 5 John Wallace . C. . 15654 6 Ray Norton . S. . 15654 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15654 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 192 15654 '15N chemical shifts' 62 15654 '1H chemical shifts' 259 15654 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 . . 2009-06-01 2008-02-08 update BMRB 'complete entry citation' 15654 1 . . 2009-02-09 2008-02-08 original author 'original release' 15654 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15654 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19056307 _Citation.Full_citation . _Citation.Title 'Insulin-like growth factor-I (IGF-I): Solution properties and NMR chemical shift assignments near physiological pH.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Growth Horm. IGF Res.' _Citation.Journal_name_full . _Citation.Journal_volume 19 _Citation.Journal_issue 3 _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 226 _Citation.Page_last 231 _Citation.Year 2009 _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 Zhihe Kuang . . . 15654 1 2 Shenggen Yao . . . 15654 1 3 Kerrie McNeil . A. . 15654 1 4 Briony Forbes . E. . 15654 1 5 John Wallace . C. . 15654 1 6 Raymond Norton . S. . 15654 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15654 _Assembly.ID 1 _Assembly.Name 'Insulin-like growth factor-I (IGF-I)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 . _Assembly.Molecular_mass . _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 'Insulin-like growth factor-I (IGF-I)' 1 $Insulin-like_growth_factor-I_(IGF-I) A . yes native no no . . . 15654 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 6 6 SG . 1 . 1 CYS 48 48 SG . . . . . . . . . . 15654 1 2 disulfide single . 1 . 1 CYS 18 18 SG . 1 . 1 CYS 61 61 SG . . . . . . . . . . 15654 1 3 disulfide single . 1 . 1 CYS 47 47 SG . 1 . 1 CYS 52 52 SG . . . . . . . . . . 15654 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Insulin-like_growth_factor-I_(IGF-I) _Entity.Sf_category entity _Entity.Sf_framecode Insulin-like_growth_factor-I_(IGF-I) _Entity.Entry_ID 15654 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Insulin-like_growth_factor-I_(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 ; GPETLCGAELVDALQFVCGD RGFYFNKPTGYGSSSRRAPQ TGIVDECCFRSCDLRRLEMY CAPLKPAKSA ; _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 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 2498 . "insulin-like growth factor-I" . . . . . 100.00 70 100.00 100.00 1.08e-42 . . . . 15654 1 2 no BMRB 4069 . "Long-[Arg-3]-Insulin-Like Growth Factor-I" . . . . . 100.00 83 98.57 98.57 4.77e-42 . . . . 15654 1 3 no BMRB 4204 . "Insulin-like growth factor-I (Somatomedin C)" . . . . . 100.00 70 100.00 100.00 1.08e-42 . . . . 15654 1 4 no BMRB 4278 . IGF-I . . . . . 100.00 83 98.57 98.57 7.52e-42 . . . . 15654 1 5 no BMRB 4494 . IGF-I . . . . . 100.00 83 98.57 98.57 4.77e-42 . . . . 15654 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" . . . . . 100.00 70 100.00 100.00 1.08e-42 . . . . 15654 1 7 no PDB 1GZR . "Human Insulin-Like Growth Factor; Esrf Data" . . . . . 100.00 70 100.00 100.00 1.08e-42 . . . . 15654 1 8 no PDB 1GZY . "Human Insulin-Like Growth Factor; In-House Data" . . . . . 100.00 70 100.00 100.00 1.08e-42 . . . . 15654 1 9 no PDB 1GZZ . "Human Insulin-Like Growth Factor; Hamburg Data" . . . . . 100.00 70 100.00 100.00 1.08e-42 . . . . 15654 1 10 no PDB 1H02 . "Human Insulin-Like Growth Factor; Srs Daresbury Data" . . . . . 100.00 70 100.00 100.00 1.08e-42 . . . . 15654 1 11 no PDB 1H59 . "Complex Of Igfbp-5 With Igf-I" . . . . . 100.00 70 100.00 100.00 1.08e-42 . . . . 15654 1 12 no PDB 1IMX . "1.8 Angstrom Crystal Structure Of Igf-1" . . . . . 100.00 70 100.00 100.00 1.08e-42 . . . . 15654 1 13 no PDB 1PMX . "Insulin-Like Growth Factor-I Bound To A Phage-Derived Peptide" . . . . . 100.00 70 100.00 100.00 1.08e-42 . . . . 15654 1 14 no PDB 1WQJ . "Structural Basis For The Regulation Of Insulin-Like Growth Factors (Igfs) By Igf Binding Proteins (Igfbps)" . . . . . 100.00 70 100.00 100.00 1.08e-42 . . . . 15654 1 15 no PDB 2DSP . "Structural Basis For The Inhibition Of Insulin-Like Growth Factors By Igf Binding Proteins" . . . . . 100.00 70 100.00 100.00 1.08e-42 . . . . 15654 1 16 no PDB 2DSQ . "Structural Basis For The Inhibition Of Insulin-Like Growth Factors By Igf Binding Proteins" . . . . . 100.00 70 100.00 100.00 1.08e-42 . . . . 15654 1 17 no PDB 2DSR . "Structural Basis For The Inhibition Of Insulin-Like Growth Factors By Igf Binding Proteins" . . . . . 100.00 70 100.00 100.00 1.08e-42 . . . . 15654 1 18 no PDB 2GF1 . "Solution Structure Of Human Insulin-Like Growth Factor 1: A Nuclear Magnetic Resonance And Restrained Molecular Dynamics Study" . . . . . 100.00 70 100.00 100.00 1.08e-42 . . . . 15654 1 19 no PDB 3GF1 . "Solution Structure Of Human Insulin-Like Growth Factor 1: A Nuclear Magnetic Resonance And Restrained Molecular Dynamics Study" . . . . . 100.00 70 100.00 100.00 1.08e-42 . . . . 15654 1 20 no PDB 3LRI . "Solution Structure And Backbone Dynamics Of Long-[arg(3) ]insulin-Like Growth Factor-I" . . . . . 100.00 83 97.14 97.14 2.21e-40 . . . . 15654 1 21 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" . . . . . 100.00 70 100.00 100.00 1.08e-42 . . . . 15654 1 22 no DBJ BAA01200 . "Met-somatomedin C polypeptide [synthetic construct]" . . . . . 100.00 71 100.00 100.00 9.21e-43 . . . . 15654 1 23 no DBJ BAA01976 . "prepro IGF-I [Capra hircus]" . . . . . 100.00 154 98.57 98.57 1.40e-42 . . . . 15654 1 24 no DBJ BAA07897 . "insulin-like growth factor I precursor [Suncus murinus]" . . . . . 100.00 81 98.57 100.00 1.32e-42 . . . . 15654 1 25 no DBJ BAB77524 . "insulin-like growth factor-I [Capra hircus]" . . . . . 100.00 159 98.57 98.57 1.16e-42 . . . . 15654 1 26 no DBJ BAD92421 . "insulin-like growth factor 1 (somatomedin C); insulin-like growth factor 1 (somatomedia C) variant [Homo sapiens]" . . . . . 100.00 184 100.00 100.00 6.19e-43 . . . . 15654 1 27 no EMBL CAA24998 . "insulin-like growth factor 1A precursor [Homo sapiens]" . . . . . 100.00 153 100.00 100.00 2.46e-43 . . . . 15654 1 28 no EMBL CAA27153 . "unnamed protein product [Homo sapiens]" . . . . . 62.86 60 100.00 100.00 2.04e-22 . . . . 15654 1 29 no EMBL CAA28759 . "unnamed protein product [synthetic construct]" . . . . . 100.00 137 100.00 100.00 3.80e-43 . . . . 15654 1 30 no EMBL CAA33746 . "prepro-insulin-like growth factor I [Bos taurus]" . . . . . 100.00 153 100.00 100.00 3.87e-43 . . . . 15654 1 31 no EMBL CAA35098 . "insuline-like growth factor-I (2) [Ovis aries]" . . . . . 100.00 138 98.57 98.57 9.22e-43 . . . . 15654 1 32 no GB AAA31043 . "insulin-like growth factor I precursor [Sus scrofa]" . . . . . 100.00 130 100.00 100.00 6.08e-44 . . . . 15654 1 33 no GB AAA31544 . "insulin-like growth factor I, partial [Ovis aries]" . . . . . 92.86 81 96.92 96.92 9.72e-38 . . . . 15654 1 34 no GB AAA31545 . "insulin-like growth factor I precursor [Ovis aries]" . . . . . 100.00 130 98.57 98.57 1.01e-42 . . . . 15654 1 35 no GB AAA31546 . "insulin-like growth factor I precursor A [Ovis aries]" . . . . . 100.00 154 98.57 98.57 3.71e-42 . . . . 15654 1 36 no GB AAA31547 . "insulin-like growth factor I precursor A' [Ovis aries]" . . . . . 100.00 130 98.57 98.57 1.01e-42 . . . . 15654 1 37 no PIR S22878 . "insulin-like growth factor I precursor, splice form 2 - sheep" . . . . . 100.00 138 98.57 98.57 9.22e-43 . . . . 15654 1 38 no PRF 0912651A . "somatomedin C" . . . . . 100.00 70 100.00 100.00 1.08e-42 . . . . 15654 1 39 no PRF 1001199A . "insulin-like growth factor I precursor" . . . . . 100.00 156 100.00 100.00 2.33e-43 . . . . 15654 1 40 no PRF 1203258A . "insulin-like growth factor I" . . . . . 100.00 130 100.00 100.00 6.22e-44 . . . . 15654 1 41 no PRF 1707201A . "insulin-like growth factor 1" . . . . . 100.00 70 97.14 97.14 4.97e-41 . . . . 15654 1 42 no PRF 2001274A . "insulin-like growth factor I" . . . . . 100.00 70 97.14 98.57 1.06e-41 . . . . 15654 1 43 no REF NP_000609 . "insulin-like growth factor I isoform 4 preproprotein [Homo sapiens]" . . . . . 100.00 153 100.00 100.00 2.46e-43 . . . . 15654 1 44 no REF NP_001009774 . "insulin-like growth factor I precursor [Ovis aries]" . . . . . 100.00 154 98.57 98.57 3.71e-42 . . . . 15654 1 45 no REF NP_001071296 . "insulin-like growth factor I preproprotein [Bos taurus]" . . . . . 100.00 154 100.00 100.00 3.94e-43 . . . . 15654 1 46 no REF NP_001075495 . "insulin-like growth factor I precursor [Oryctolagus cuniculus]" . . . . . 100.00 143 98.57 100.00 2.72e-43 . . . . 15654 1 47 no REF NP_001075967 . "insulin-like growth factor I precursor [Equus caballus]" . . . . . 100.00 153 100.00 100.00 2.51e-43 . . . . 15654 1 48 no SP P05019 . "RecName: Full=Insulin-like growth factor I; Short=IGF-I; AltName: Full=Mechano growth factor; Short=MGF; AltName: Full=Somatome" . . . . . 100.00 195 100.00 100.00 9.16e-43 . . . . 15654 1 49 no SP P07455 . "RecName: Full=Insulin-like growth factor I; Short=IGF-I; AltName: Full=Somatomedin; Flags: Precursor" . . . . . 100.00 154 100.00 100.00 3.94e-43 . . . . 15654 1 50 no SP P10763 . "RecName: Full=Insulin-like growth factor I; Short=IGF-I; AltName: Full=Somatomedin; Flags: Precursor" . . . . . 100.00 154 98.57 98.57 3.71e-42 . . . . 15654 1 51 no SP P16545 . "RecName: Full=Insulin-like growth factor I; Short=IGF-I; AltName: Full=Somatomedin; Flags: Precursor" . . . . . 100.00 153 100.00 100.00 2.54e-43 . . . . 15654 1 52 no SP P17647 . "RecName: Full=Insulin-like growth factor I; Short=IGF-I; AltName: Full=Somatomedin; Flags: Precursor" . . . . . 100.00 130 100.00 100.00 7.16e-44 . . . . 15654 1 53 no TPG DAA29731 . "TPA: insulin-like growth factor I precursor [Bos taurus]" . . . . . 100.00 154 100.00 100.00 3.94e-43 . . . . 15654 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 . 15654 1 2 . PRO . 15654 1 3 . GLU . 15654 1 4 . THR . 15654 1 5 . LEU . 15654 1 6 . CYS . 15654 1 7 . GLY . 15654 1 8 . ALA . 15654 1 9 . GLU . 15654 1 10 . LEU . 15654 1 11 . VAL . 15654 1 12 . ASP . 15654 1 13 . ALA . 15654 1 14 . LEU . 15654 1 15 . GLN . 15654 1 16 . PHE . 15654 1 17 . VAL . 15654 1 18 . CYS . 15654 1 19 . GLY . 15654 1 20 . ASP . 15654 1 21 . ARG . 15654 1 22 . GLY . 15654 1 23 . PHE . 15654 1 24 . TYR . 15654 1 25 . PHE . 15654 1 26 . ASN . 15654 1 27 . LYS . 15654 1 28 . PRO . 15654 1 29 . THR . 15654 1 30 . GLY . 15654 1 31 . TYR . 15654 1 32 . GLY . 15654 1 33 . SER . 15654 1 34 . SER . 15654 1 35 . SER . 15654 1 36 . ARG . 15654 1 37 . ARG . 15654 1 38 . ALA . 15654 1 39 . PRO . 15654 1 40 . GLN . 15654 1 41 . THR . 15654 1 42 . GLY . 15654 1 43 . ILE . 15654 1 44 . VAL . 15654 1 45 . ASP . 15654 1 46 . GLU . 15654 1 47 . CYS . 15654 1 48 . CYS . 15654 1 49 . PHE . 15654 1 50 . ARG . 15654 1 51 . SER . 15654 1 52 . CYS . 15654 1 53 . ASP . 15654 1 54 . LEU . 15654 1 55 . ARG . 15654 1 56 . ARG . 15654 1 57 . LEU . 15654 1 58 . GLU . 15654 1 59 . MET . 15654 1 60 . TYR . 15654 1 61 . CYS . 15654 1 62 . ALA . 15654 1 63 . PRO . 15654 1 64 . LEU . 15654 1 65 . LYS . 15654 1 66 . PRO . 15654 1 67 . ALA . 15654 1 68 . LYS . 15654 1 69 . SER . 15654 1 70 . ALA . 15654 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 15654 1 . PRO 2 2 15654 1 . GLU 3 3 15654 1 . THR 4 4 15654 1 . LEU 5 5 15654 1 . CYS 6 6 15654 1 . GLY 7 7 15654 1 . ALA 8 8 15654 1 . GLU 9 9 15654 1 . LEU 10 10 15654 1 . VAL 11 11 15654 1 . ASP 12 12 15654 1 . ALA 13 13 15654 1 . LEU 14 14 15654 1 . GLN 15 15 15654 1 . PHE 16 16 15654 1 . VAL 17 17 15654 1 . CYS 18 18 15654 1 . GLY 19 19 15654 1 . ASP 20 20 15654 1 . ARG 21 21 15654 1 . GLY 22 22 15654 1 . PHE 23 23 15654 1 . TYR 24 24 15654 1 . PHE 25 25 15654 1 . ASN 26 26 15654 1 . LYS 27 27 15654 1 . PRO 28 28 15654 1 . THR 29 29 15654 1 . GLY 30 30 15654 1 . TYR 31 31 15654 1 . GLY 32 32 15654 1 . SER 33 33 15654 1 . SER 34 34 15654 1 . SER 35 35 15654 1 . ARG 36 36 15654 1 . ARG 37 37 15654 1 . ALA 38 38 15654 1 . PRO 39 39 15654 1 . GLN 40 40 15654 1 . THR 41 41 15654 1 . GLY 42 42 15654 1 . ILE 43 43 15654 1 . VAL 44 44 15654 1 . ASP 45 45 15654 1 . GLU 46 46 15654 1 . CYS 47 47 15654 1 . CYS 48 48 15654 1 . PHE 49 49 15654 1 . ARG 50 50 15654 1 . SER 51 51 15654 1 . CYS 52 52 15654 1 . ASP 53 53 15654 1 . LEU 54 54 15654 1 . ARG 55 55 15654 1 . ARG 56 56 15654 1 . LEU 57 57 15654 1 . GLU 58 58 15654 1 . MET 59 59 15654 1 . TYR 60 60 15654 1 . CYS 61 61 15654 1 . ALA 62 62 15654 1 . PRO 63 63 15654 1 . LEU 64 64 15654 1 . LYS 65 65 15654 1 . PRO 66 66 15654 1 . ALA 67 67 15654 1 . LYS 68 68 15654 1 . SER 69 69 15654 1 . ALA 70 70 15654 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 15654 _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 $Insulin-like_growth_factor-I_(IGF-I) . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15654 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 15654 _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 $Insulin-like_growth_factor-I_(IGF-I) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGH(1-11)-VN-IGF-I . . . . . . 15654 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15654 _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 'Insulin-like growth factor-I (IGF-I)' '[U-98% 13C; U-98% 15N]' . . 1 $Insulin-like_growth_factor-I_(IGF-I) . . 0.7 . . mM . . . . 15654 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15654 1 3 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 15654 1 4 'sodium acetate' 'natural abundance' . . . . . . 10 . . mM . . . . 15654 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02% . . w/v . . . . 15654 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 15654 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 . pH 15654 1 pressure 1 . atm 15654 1 temperature 310 . K 15654 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15654 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15654 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15654 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15654 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 15654 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15654 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15654 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with a cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15654 _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 Avance . 500 'equipped with a cryoprobe' . . 15654 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 15654 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15654 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15654 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15654 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15654 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15654 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15654 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15654 1 8 '3D CNH-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15654 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15654 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 15654 _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 . . . . . . . . . 15654 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15654 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15654 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 15654 _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 '2D 1H-15N HSQC' . . . 15654 1 2 '3D HNCA' . . . 15654 1 3 '3D CBCA(CO)NH' . . . 15654 1 4 '3D HNCO' . . . 15654 1 5 '3D HN(CA)CO' . . . 15654 1 6 '3D 1H-15N TOCSY' . . . 15654 1 7 '3D 1H-15N NOESY' . . . 15654 1 8 '3D CNH-NOESY' . . . 15654 1 9 '3D HBHA(CO)NH' . . . 15654 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 15654 1 2 $XEASY . . 15654 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 PRO HA H 1 4.40 0.02 . 1 . . . . 2 PRO HA . 15654 1 2 . 1 1 2 2 PRO HB2 H 1 2.21 0.02 . 2 . . . . 2 PRO HB2 . 15654 1 3 . 1 1 2 2 PRO HB3 H 1 1.93 0.02 . 2 . . . . 2 PRO HB3 . 15654 1 4 . 1 1 2 2 PRO C C 13 176.5 0.5 . 1 . . . . 2 PRO C . 15654 1 5 . 1 1 2 2 PRO CA C 13 63.4 0.5 . 1 . . . . 2 PRO CA . 15654 1 6 . 1 1 2 2 PRO CB C 13 31.8 0.5 . 1 . . . . 2 PRO CB . 15654 1 7 . 1 1 3 3 GLU H H 1 8.80 0.02 . 1 . . . . 3 GLU H . 15654 1 8 . 1 1 3 3 GLU HA H 1 4.35 0.02 . 1 . . . . 3 GLU HA . 15654 1 9 . 1 1 3 3 GLU HB2 H 1 2.06 0.02 . 2 . . . . 3 GLU HB2 . 15654 1 10 . 1 1 3 3 GLU HB3 H 1 1.91 0.02 . 2 . . . . 3 GLU HB3 . 15654 1 11 . 1 1 3 3 GLU C C 13 176.3 0.5 . 1 . . . . 3 GLU C . 15654 1 12 . 1 1 3 3 GLU CA C 13 56.9 0.5 . 1 . . . . 3 GLU CA . 15654 1 13 . 1 1 3 3 GLU CB C 13 29.9 0.5 . 1 . . . . 3 GLU CB . 15654 1 14 . 1 1 3 3 GLU N N 15 120.5 0.5 . 1 . . . . 3 GLU N . 15654 1 15 . 1 1 4 4 THR H H 1 7.87 0.02 . 1 . . . . 4 THR H . 15654 1 16 . 1 1 4 4 THR HA H 1 4.45 0.02 . 1 . . . . 4 THR HA . 15654 1 17 . 1 1 4 4 THR HB H 1 4.22 0.02 . 1 . . . . 4 THR HB . 15654 1 18 . 1 1 4 4 THR C C 13 174.0 0.5 . 1 . . . . 4 THR C . 15654 1 19 . 1 1 4 4 THR CA C 13 61.4 0.5 . 1 . . . . 4 THR CA . 15654 1 20 . 1 1 4 4 THR CB C 13 70.3 0.5 . 1 . . . . 4 THR CB . 15654 1 21 . 1 1 4 4 THR N N 15 113.4 0.5 . 1 . . . . 4 THR N . 15654 1 22 . 1 1 5 5 LEU H H 1 8.18 0.02 . 1 . . . . 5 LEU H . 15654 1 23 . 1 1 5 5 LEU HA H 1 4.41 0.02 . 1 . . . . 5 LEU HA . 15654 1 24 . 1 1 5 5 LEU HB2 H 1 1.57 0.02 . 2 . . . . 5 LEU HB2 . 15654 1 25 . 1 1 5 5 LEU HB3 H 1 1.18 0.02 . 2 . . . . 5 LEU HB3 . 15654 1 26 . 1 1 5 5 LEU C C 13 174.9 0.5 . 1 . . . . 5 LEU C . 15654 1 27 . 1 1 5 5 LEU CA C 13 54.8 0.5 . 1 . . . . 5 LEU CA . 15654 1 28 . 1 1 5 5 LEU CB C 13 44.4 0.5 . 1 . . . . 5 LEU CB . 15654 1 29 . 1 1 5 5 LEU N N 15 123.9 0.5 . 1 . . . . 5 LEU N . 15654 1 30 . 1 1 6 6 CYS H H 1 8.34 0.02 . 1 . . . . 6 CYS H . 15654 1 31 . 1 1 6 6 CYS HA H 1 4.65 0.02 . 1 . . . . 6 CYS HA . 15654 1 32 . 1 1 6 6 CYS HB2 H 1 2.99 0.02 . 1 . . . . 6 CYS HB2 . 15654 1 33 . 1 1 6 6 CYS HB3 H 1 2.99 0.02 . 1 . . . . 6 CYS HB3 . 15654 1 34 . 1 1 6 6 CYS C C 13 174.9 0.5 . 1 . . . . 6 CYS C . 15654 1 35 . 1 1 6 6 CYS CA C 13 54.8 0.5 . 1 . . . . 6 CYS CA . 15654 1 36 . 1 1 6 6 CYS CB C 13 45.1 0.5 . 1 . . . . 6 CYS CB . 15654 1 37 . 1 1 6 6 CYS N N 15 118.1 0.5 . 1 . . . . 6 CYS N . 15654 1 38 . 1 1 7 7 GLY H H 1 8.57 0.02 . 1 . . . . 7 GLY H . 15654 1 39 . 1 1 7 7 GLY HA2 H 1 3.88 0.02 . 2 . . . . 7 GLY HA2 . 15654 1 40 . 1 1 7 7 GLY HA3 H 1 3.75 0.02 . 2 . . . . 7 GLY HA3 . 15654 1 41 . 1 1 7 7 GLY C C 13 174.9 0.5 . 1 . . . . 7 GLY C . 15654 1 42 . 1 1 7 7 GLY CA C 13 46.5 0.5 . 1 . . . . 7 GLY CA . 15654 1 43 . 1 1 7 7 GLY N N 15 110.5 0.5 . 1 . . . . 7 GLY N . 15654 1 44 . 1 1 8 8 ALA H H 1 8.58 0.02 . 1 . . . . 8 ALA H . 15654 1 45 . 1 1 8 8 ALA HA H 1 3.99 0.02 . 1 . . . . 8 ALA HA . 15654 1 46 . 1 1 8 8 ALA HB1 H 1 1.39 0.02 . 1 . . . . 8 ALA HB . 15654 1 47 . 1 1 8 8 ALA HB2 H 1 1.39 0.02 . 1 . . . . 8 ALA HB . 15654 1 48 . 1 1 8 8 ALA HB3 H 1 1.39 0.02 . 1 . . . . 8 ALA HB . 15654 1 49 . 1 1 8 8 ALA C C 13 178.9 0.5 . 1 . . . . 8 ALA C . 15654 1 50 . 1 1 8 8 ALA CA C 13 54.5 0.5 . 1 . . . . 8 ALA CA . 15654 1 51 . 1 1 8 8 ALA CB C 13 18.4 0.5 . 1 . . . . 8 ALA CB . 15654 1 52 . 1 1 8 8 ALA N N 15 126.8 0.5 . 1 . . . . 8 ALA N . 15654 1 53 . 1 1 9 9 GLU H H 1 8.35 0.02 . 1 . . . . 9 GLU H . 15654 1 54 . 1 1 9 9 GLU HA H 1 4.08 0.02 . 1 . . . . 9 GLU HA . 15654 1 55 . 1 1 9 9 GLU HB2 H 1 2.07 0.02 . 1 . . . . 9 GLU HB2 . 15654 1 56 . 1 1 9 9 GLU HB3 H 1 2.07 0.02 . 1 . . . . 9 GLU HB3 . 15654 1 57 . 1 1 9 9 GLU C C 13 179.0 0.5 . 1 . . . . 9 GLU C . 15654 1 58 . 1 1 9 9 GLU CA C 13 59.0 0.5 . 1 . . . . 9 GLU CA . 15654 1 59 . 1 1 9 9 GLU CB C 13 29.0 0.5 . 1 . . . . 9 GLU CB . 15654 1 60 . 1 1 9 9 GLU N N 15 116.5 0.5 . 1 . . . . 9 GLU N . 15654 1 61 . 1 1 10 10 LEU H H 1 7.35 0.02 . 1 . . . . 10 LEU H . 15654 1 62 . 1 1 10 10 LEU HA H 1 3.95 0.02 . 1 . . . . 10 LEU HA . 15654 1 63 . 1 1 10 10 LEU HB2 H 1 1.71 0.02 . 2 . . . . 10 LEU HB2 . 15654 1 64 . 1 1 10 10 LEU HB3 H 1 1.24 0.02 . 2 . . . . 10 LEU HB3 . 15654 1 65 . 1 1 10 10 LEU C C 13 177.4 0.5 . 1 . . . . 10 LEU C . 15654 1 66 . 1 1 10 10 LEU CA C 13 57.4 0.5 . 1 . . . . 10 LEU CA . 15654 1 67 . 1 1 10 10 LEU CB C 13 40.8 0.5 . 1 . . . . 10 LEU CB . 15654 1 68 . 1 1 10 10 LEU N N 15 121.4 0.5 . 1 . . . . 10 LEU N . 15654 1 69 . 1 1 11 11 VAL H H 1 7.38 0.02 . 1 . . . . 11 VAL H . 15654 1 70 . 1 1 11 11 VAL HA H 1 3.28 0.02 . 1 . . . . 11 VAL HA . 15654 1 71 . 1 1 11 11 VAL HB H 1 2.07 0.02 . 1 . . . . 11 VAL HB . 15654 1 72 . 1 1 11 11 VAL C C 13 177.5 0.5 . 1 . . . . 11 VAL C . 15654 1 73 . 1 1 11 11 VAL CA C 13 66.7 0.5 . 1 . . . . 11 VAL CA . 15654 1 74 . 1 1 11 11 VAL CB C 13 29.4 0.5 . 1 . . . . 11 VAL CB . 15654 1 75 . 1 1 11 11 VAL N N 15 117.6 0.5 . 1 . . . . 11 VAL N . 15654 1 76 . 1 1 12 12 ASP H H 1 7.90 0.02 . 1 . . . . 12 ASP H . 15654 1 77 . 1 1 12 12 ASP HA H 1 4.32 0.02 . 1 . . . . 12 ASP HA . 15654 1 78 . 1 1 12 12 ASP HB2 H 1 2.60 0.02 . 1 . . . . 12 ASP HB2 . 15654 1 79 . 1 1 12 12 ASP HB3 H 1 2.60 0.02 . 1 . . . . 12 ASP HB3 . 15654 1 80 . 1 1 12 12 ASP C C 13 178.7 0.5 . 1 . . . . 12 ASP C . 15654 1 81 . 1 1 12 12 ASP CA C 13 57.2 0.5 . 1 . . . . 12 ASP CA . 15654 1 82 . 1 1 12 12 ASP CB C 13 40.4 0.5 . 1 . . . . 12 ASP CB . 15654 1 83 . 1 1 12 12 ASP N N 15 118.8 0.5 . 1 . . . . 12 ASP N . 15654 1 84 . 1 1 13 13 ALA H H 1 7.64 0.02 . 1 . . . . 13 ALA H . 15654 1 85 . 1 1 13 13 ALA HA H 1 4.13 0.02 . 1 . . . . 13 ALA HA . 15654 1 86 . 1 1 13 13 ALA HB1 H 1 1.36 0.02 . 1 . . . . 13 ALA HB . 15654 1 87 . 1 1 13 13 ALA HB2 H 1 1.36 0.02 . 1 . . . . 13 ALA HB . 15654 1 88 . 1 1 13 13 ALA HB3 H 1 1.36 0.02 . 1 . . . . 13 ALA HB . 15654 1 89 . 1 1 13 13 ALA C C 13 179.6 0.5 . 1 . . . . 13 ALA C . 15654 1 90 . 1 1 13 13 ALA CA C 13 55.0 0.5 . 1 . . . . 13 ALA CA . 15654 1 91 . 1 1 13 13 ALA CB C 13 18.4 0.5 . 1 . . . . 13 ALA CB . 15654 1 92 . 1 1 13 13 ALA N N 15 122.5 0.5 . 1 . . . . 13 ALA N . 15654 1 93 . 1 1 14 14 LEU H H 1 8.14 0.02 . 1 . . . . 14 LEU H . 15654 1 94 . 1 1 14 14 LEU HA H 1 3.74 0.02 . 1 . . . . 14 LEU HA . 15654 1 95 . 1 1 14 14 LEU HB2 H 1 1.13 0.02 . 2 . . . . 14 LEU HB2 . 15654 1 96 . 1 1 14 14 LEU HB3 H 1 0.47 0.02 . 2 . . . . 14 LEU HB3 . 15654 1 97 . 1 1 14 14 LEU C C 13 178.7 0.5 . 1 . . . . 14 LEU C . 15654 1 98 . 1 1 14 14 LEU CA C 13 57.6 0.5 . 1 . . . . 14 LEU CA . 15654 1 99 . 1 1 14 14 LEU CB C 13 40.8 0.5 . 1 . . . . 14 LEU CB . 15654 1 100 . 1 1 14 14 LEU N N 15 118.5 0.5 . 1 . . . . 14 LEU N . 15654 1 101 . 1 1 15 15 GLN H H 1 8.13 0.02 . 1 . . . . 15 GLN H . 15654 1 102 . 1 1 15 15 GLN HA H 1 4.10 0.02 . 1 . . . . 15 GLN HA . 15654 1 103 . 1 1 15 15 GLN HB2 H 1 2.20 0.02 . 2 . . . . 15 GLN HB2 . 15654 1 104 . 1 1 15 15 GLN HB3 H 1 2.10 0.02 . 2 . . . . 15 GLN HB3 . 15654 1 105 . 1 1 15 15 GLN C C 13 178.8 0.5 . 1 . . . . 15 GLN C . 15654 1 106 . 1 1 15 15 GLN CA C 13 58.8 0.5 . 1 . . . . 15 GLN CA . 15654 1 107 . 1 1 15 15 GLN CB C 13 28.1 0.5 . 1 . . . . 15 GLN CB . 15654 1 108 . 1 1 15 15 GLN N N 15 118.5 0.5 . 1 . . . . 15 GLN N . 15654 1 109 . 1 1 16 16 PHE H H 1 7.73 0.02 . 1 . . . . 16 PHE H . 15654 1 110 . 1 1 16 16 PHE HA H 1 4.35 0.02 . 1 . . . . 16 PHE HA . 15654 1 111 . 1 1 16 16 PHE HB2 H 1 3.23 0.02 . 1 . . . . 16 PHE HB2 . 15654 1 112 . 1 1 16 16 PHE HB3 H 1 3.23 0.02 . 1 . . . . 16 PHE HB3 . 15654 1 113 . 1 1 16 16 PHE C C 13 177.5 0.5 . 1 . . . . 16 PHE C . 15654 1 114 . 1 1 16 16 PHE CA C 13 60.4 0.5 . 1 . . . . 16 PHE CA . 15654 1 115 . 1 1 16 16 PHE CB C 13 39.1 0.5 . 1 . . . . 16 PHE CB . 15654 1 116 . 1 1 16 16 PHE N N 15 119.0 0.5 . 1 . . . . 16 PHE N . 15654 1 117 . 1 1 17 17 VAL H H 1 8.37 0.02 . 1 . . . . 17 VAL H . 15654 1 118 . 1 1 17 17 VAL HA H 1 3.58 0.02 . 1 . . . . 17 VAL HA . 15654 1 119 . 1 1 17 17 VAL HB H 1 1.99 0.02 . 1 . . . . 17 VAL HB . 15654 1 120 . 1 1 17 17 VAL C C 13 177.8 0.5 . 1 . . . . 17 VAL C . 15654 1 121 . 1 1 17 17 VAL CA C 13 65.6 0.5 . 1 . . . . 17 VAL CA . 15654 1 122 . 1 1 17 17 VAL CB C 13 32.5 0.5 . 1 . . . . 17 VAL CB . 15654 1 123 . 1 1 17 17 VAL N N 15 118.1 0.5 . 1 . . . . 17 VAL N . 15654 1 124 . 1 1 18 18 CYS H H 1 8.59 0.02 . 1 . . . . 18 CYS H . 15654 1 125 . 1 1 18 18 CYS HA H 1 4.74 0.02 . 1 . . . . 18 CYS HA . 15654 1 126 . 1 1 18 18 CYS HB2 H 1 3.24 0.02 . 2 . . . . 18 CYS HB2 . 15654 1 127 . 1 1 18 18 CYS HB3 H 1 2.84 0.02 . 2 . . . . 18 CYS HB3 . 15654 1 128 . 1 1 18 18 CYS C C 13 177.1 0.5 . 1 . . . . 18 CYS C . 15654 1 129 . 1 1 18 18 CYS CA C 13 53.9 0.5 . 1 . . . . 18 CYS CA . 15654 1 130 . 1 1 18 18 CYS CB C 13 36.6 0.5 . 1 . . . . 18 CYS CB . 15654 1 131 . 1 1 18 18 CYS N N 15 115.3 0.5 . 1 . . . . 18 CYS N . 15654 1 132 . 1 1 19 19 GLY H H 1 7.79 0.02 . 1 . . . . 19 GLY H . 15654 1 133 . 1 1 19 19 GLY HA2 H 1 3.92 0.02 . 1 . . . . 19 GLY HA2 . 15654 1 134 . 1 1 19 19 GLY HA3 H 1 3.92 0.02 . 1 . . . . 19 GLY HA3 . 15654 1 135 . 1 1 19 19 GLY C C 13 175.3 0.5 . 1 . . . . 19 GLY C . 15654 1 136 . 1 1 19 19 GLY CA C 13 46.9 0.5 . 1 . . . . 19 GLY CA . 15654 1 137 . 1 1 19 19 GLY N N 15 109.3 0.5 . 1 . . . . 19 GLY N . 15654 1 138 . 1 1 20 20 ASP H H 1 8.73 0.02 . 1 . . . . 20 ASP H . 15654 1 139 . 1 1 20 20 ASP HA H 1 4.44 0.02 . 1 . . . . 20 ASP HA . 15654 1 140 . 1 1 20 20 ASP HB2 H 1 2.69 0.02 . 1 . . . . 20 ASP HB2 . 15654 1 141 . 1 1 20 20 ASP HB3 H 1 2.69 0.02 . 1 . . . . 20 ASP HB3 . 15654 1 142 . 1 1 20 20 ASP C C 13 177.1 0.5 . 1 . . . . 20 ASP C . 15654 1 143 . 1 1 20 20 ASP CA C 13 55.2 0.5 . 1 . . . . 20 ASP CA . 15654 1 144 . 1 1 20 20 ASP CB C 13 40.4 0.5 . 1 . . . . 20 ASP CB . 15654 1 145 . 1 1 20 20 ASP N N 15 124.4 0.5 . 1 . . . . 20 ASP N . 15654 1 146 . 1 1 21 21 ARG H H 1 8.02 0.02 . 1 . . . . 21 ARG H . 15654 1 147 . 1 1 21 21 ARG HA H 1 4.08 0.02 . 1 . . . . 21 ARG HA . 15654 1 148 . 1 1 21 21 ARG HB2 H 1 2.00 0.02 . 1 . . . . 21 ARG HB2 . 15654 1 149 . 1 1 21 21 ARG HB3 H 1 2.00 0.02 . 1 . . . . 21 ARG HB3 . 15654 1 150 . 1 1 21 21 ARG C C 13 177.6 0.5 . 1 . . . . 21 ARG C . 15654 1 151 . 1 1 21 21 ARG CA C 13 57.8 0.5 . 1 . . . . 21 ARG CA . 15654 1 152 . 1 1 21 21 ARG CB C 13 30.8 0.5 . 1 . . . . 21 ARG CB . 15654 1 153 . 1 1 21 21 ARG N N 15 118.0 0.5 . 1 . . . . 21 ARG N . 15654 1 154 . 1 1 22 22 GLY H H 1 7.32 0.02 . 1 . . . . 22 GLY H . 15654 1 155 . 1 1 22 22 GLY HA2 H 1 3.99 0.02 . 2 . . . . 22 GLY HA2 . 15654 1 156 . 1 1 22 22 GLY HA3 H 1 3.71 0.02 . 2 . . . . 22 GLY HA3 . 15654 1 157 . 1 1 22 22 GLY C C 13 172.3 0.5 . 1 . . . . 22 GLY C . 15654 1 158 . 1 1 22 22 GLY CA C 13 44.4 0.5 . 1 . . . . 22 GLY CA . 15654 1 159 . 1 1 22 22 GLY N N 15 103.3 0.5 . 1 . . . . 22 GLY N . 15654 1 160 . 1 1 23 23 PHE H H 1 7.54 0.02 . 1 . . . . 23 PHE H . 15654 1 161 . 1 1 23 23 PHE HA H 1 5.11 0.02 . 1 . . . . 23 PHE HA . 15654 1 162 . 1 1 23 23 PHE HB2 H 1 3.18 0.02 . 2 . . . . 23 PHE HB2 . 15654 1 163 . 1 1 23 23 PHE HB3 H 1 2.77 0.02 . 2 . . . . 23 PHE HB3 . 15654 1 164 . 1 1 23 23 PHE C C 13 173.9 0.5 . 1 . . . . 23 PHE C . 15654 1 165 . 1 1 23 23 PHE CA C 13 56.0 0.5 . 1 . . . . 23 PHE CA . 15654 1 166 . 1 1 23 23 PHE CB C 13 41.8 0.5 . 1 . . . . 23 PHE CB . 15654 1 167 . 1 1 23 23 PHE N N 15 113.9 0.5 . 1 . . . . 23 PHE N . 15654 1 168 . 1 1 24 24 TYR H H 1 8.56 0.02 . 1 . . . . 24 TYR H . 15654 1 169 . 1 1 24 24 TYR HA H 1 4.69 0.02 . 1 . . . . 24 TYR HA . 15654 1 170 . 1 1 24 24 TYR HB2 H 1 3.09 0.02 . 2 . . . . 24 TYR HB2 . 15654 1 171 . 1 1 24 24 TYR HB3 H 1 2.91 0.02 . 2 . . . . 24 TYR HB3 . 15654 1 172 . 1 1 24 24 TYR C C 13 174.4 0.5 . 1 . . . . 24 TYR C . 15654 1 173 . 1 1 24 24 TYR CA C 13 56.7 0.5 . 1 . . . . 24 TYR CA . 15654 1 174 . 1 1 24 24 TYR CB C 13 40.1 0.5 . 1 . . . . 24 TYR CB . 15654 1 175 . 1 1 24 24 TYR N N 15 119.2 0.5 . 1 . . . . 24 TYR N . 15654 1 176 . 1 1 25 25 PHE H H 1 8.29 0.02 . 1 . . . . 25 PHE H . 15654 1 177 . 1 1 25 25 PHE HA H 1 4.67 0.02 . 1 . . . . 25 PHE HA . 15654 1 178 . 1 1 25 25 PHE HB2 H 1 3.10 0.02 . 2 . . . . 25 PHE HB2 . 15654 1 179 . 1 1 25 25 PHE HB3 H 1 2.93 0.02 . 2 . . . . 25 PHE HB3 . 15654 1 180 . 1 1 25 25 PHE C C 13 174.9 0.5 . 1 . . . . 25 PHE C . 15654 1 181 . 1 1 25 25 PHE CA C 13 57.7 0.5 . 1 . . . . 25 PHE CA . 15654 1 182 . 1 1 25 25 PHE CB C 13 40.1 0.5 . 1 . . . . 25 PHE CB . 15654 1 183 . 1 1 25 25 PHE N N 15 119.9 0.5 . 1 . . . . 25 PHE N . 15654 1 184 . 1 1 26 26 ASN H H 1 8.07 0.02 . 1 . . . . 26 ASN H . 15654 1 185 . 1 1 26 26 ASN HA H 1 4.80 0.02 . 1 . . . . 26 ASN HA . 15654 1 186 . 1 1 26 26 ASN HB2 H 1 2.67 0.02 . 1 . . . . 26 ASN HB2 . 15654 1 187 . 1 1 26 26 ASN HB3 H 1 2.67 0.02 . 1 . . . . 26 ASN HB3 . 15654 1 188 . 1 1 26 26 ASN C C 13 174.0 0.5 . 1 . . . . 26 ASN C . 15654 1 189 . 1 1 26 26 ASN CA C 13 52.6 0.5 . 1 . . . . 26 ASN CA . 15654 1 190 . 1 1 26 26 ASN CB C 13 39.6 0.5 . 1 . . . . 26 ASN CB . 15654 1 191 . 1 1 26 26 ASN N N 15 119.2 0.5 . 1 . . . . 26 ASN N . 15654 1 192 . 1 1 27 27 LYS H H 1 8.18 0.02 . 1 . . . . 27 LYS H . 15654 1 193 . 1 1 27 27 LYS HA H 1 4.16 0.02 . 1 . . . . 27 LYS HA . 15654 1 194 . 1 1 27 27 LYS HB2 H 1 1.51 0.02 . 1 . . . . 27 LYS HB2 . 15654 1 195 . 1 1 27 27 LYS HB3 H 1 1.51 0.02 . 1 . . . . 27 LYS HB3 . 15654 1 196 . 1 1 27 27 LYS CA C 13 54.3 0.5 . 1 . . . . 27 LYS CA . 15654 1 197 . 1 1 27 27 LYS N N 15 121.9 0.5 . 1 . . . . 27 LYS N . 15654 1 198 . 1 1 28 28 PRO HA H 1 4.44 0.02 . 1 . . . . 28 PRO HA . 15654 1 199 . 1 1 28 28 PRO HB2 H 1 2.17 0.02 . 2 . . . . 28 PRO HB2 . 15654 1 200 . 1 1 28 28 PRO HB3 H 1 1.87 0.02 . 2 . . . . 28 PRO HB3 . 15654 1 201 . 1 1 28 28 PRO C C 13 177.0 0.5 . 1 . . . . 28 PRO C . 15654 1 202 . 1 1 28 28 PRO CA C 13 63.2 0.5 . 1 . . . . 28 PRO CA . 15654 1 203 . 1 1 28 28 PRO CB C 13 31.8 0.5 . 1 . . . . 28 PRO CB . 15654 1 204 . 1 1 29 29 THR H H 1 8.12 0.02 . 1 . . . . 29 THR H . 15654 1 205 . 1 1 29 29 THR HA H 1 4.26 0.02 . 1 . . . . 29 THR HA . 15654 1 206 . 1 1 29 29 THR HB H 1 4.18 0.02 . 1 . . . . 29 THR HB . 15654 1 207 . 1 1 29 29 THR C C 13 175.0 0.5 . 1 . . . . 29 THR C . 15654 1 208 . 1 1 29 29 THR CA C 13 61.9 0.5 . 1 . . . . 29 THR CA . 15654 1 209 . 1 1 29 29 THR CB C 13 69.9 0.5 . 1 . . . . 29 THR CB . 15654 1 210 . 1 1 29 29 THR N N 15 113.5 0.5 . 1 . . . . 29 THR N . 15654 1 211 . 1 1 30 30 GLY H H 1 8.23 0.02 . 1 . . . . 30 GLY H . 15654 1 212 . 1 1 30 30 GLY HA2 H 1 3.88 0.02 . 1 . . . . 30 GLY HA2 . 15654 1 213 . 1 1 30 30 GLY HA3 H 1 3.88 0.02 . 1 . . . . 30 GLY HA3 . 15654 1 214 . 1 1 30 30 GLY C C 13 173.8 0.5 . 1 . . . . 30 GLY C . 15654 1 215 . 1 1 30 30 GLY CA C 13 45.2 0.5 . 1 . . . . 30 GLY CA . 15654 1 216 . 1 1 30 30 GLY N N 15 110.2 0.5 . 1 . . . . 30 GLY N . 15654 1 217 . 1 1 31 31 TYR H H 1 8.05 0.02 . 1 . . . . 31 TYR H . 15654 1 218 . 1 1 31 31 TYR HA H 1 4.53 0.02 . 1 . . . . 31 TYR HA . 15654 1 219 . 1 1 31 31 TYR HB2 H 1 2.96 0.02 . 1 . . . . 31 TYR HB2 . 15654 1 220 . 1 1 31 31 TYR HB3 H 1 2.96 0.02 . 1 . . . . 31 TYR HB3 . 15654 1 221 . 1 1 31 31 TYR C C 13 176.4 0.5 . 1 . . . . 31 TYR C . 15654 1 222 . 1 1 31 31 TYR CA C 13 58.2 0.5 . 1 . . . . 31 TYR CA . 15654 1 223 . 1 1 31 31 TYR CB C 13 38.7 0.5 . 1 . . . . 31 TYR CB . 15654 1 224 . 1 1 31 31 TYR N N 15 119.9 0.5 . 1 . . . . 31 TYR N . 15654 1 225 . 1 1 32 32 GLY H H 1 8.34 0.02 . 1 . . . . 32 GLY H . 15654 1 226 . 1 1 32 32 GLY HA2 H 1 3.89 0.02 . 1 . . . . 32 GLY HA2 . 15654 1 227 . 1 1 32 32 GLY HA3 H 1 3.89 0.02 . 1 . . . . 32 GLY HA3 . 15654 1 228 . 1 1 32 32 GLY C C 13 174.3 0.5 . 1 . . . . 32 GLY C . 15654 1 229 . 1 1 32 32 GLY CA C 13 45.3 0.5 . 1 . . . . 32 GLY CA . 15654 1 230 . 1 1 32 32 GLY N N 15 110.8 0.5 . 1 . . . . 32 GLY N . 15654 1 231 . 1 1 33 33 SER H H 1 8.14 0.02 . 1 . . . . 33 SER H . 15654 1 232 . 1 1 33 33 SER HA H 1 4.44 0.02 . 1 . . . . 33 SER HA . 15654 1 233 . 1 1 33 33 SER HB2 H 1 3.88 0.02 . 1 . . . . 33 SER HB2 . 15654 1 234 . 1 1 33 33 SER HB3 H 1 3.88 0.02 . 1 . . . . 33 SER HB3 . 15654 1 235 . 1 1 33 33 SER CA C 13 58.5 0.5 . 1 . . . . 33 SER CA . 15654 1 236 . 1 1 33 33 SER N N 15 115.5 0.5 . 1 . . . . 33 SER N . 15654 1 237 . 1 1 35 35 SER HA H 1 4.40 0.02 . 1 . . . . 35 SER HA . 15654 1 238 . 1 1 35 35 SER HB2 H 1 3.83 0.02 . 1 . . . . 35 SER HB2 . 15654 1 239 . 1 1 35 35 SER HB3 H 1 3.83 0.02 . 1 . . . . 35 SER HB3 . 15654 1 240 . 1 1 35 35 SER C C 13 174.4 0.5 . 1 . . . . 35 SER C . 15654 1 241 . 1 1 35 35 SER CA C 13 58.6 0.5 . 1 . . . . 35 SER CA . 15654 1 242 . 1 1 35 35 SER CB C 13 63.8 0.5 . 1 . . . . 35 SER CB . 15654 1 243 . 1 1 36 36 ARG H H 1 8.10 0.02 . 1 . . . . 36 ARG H . 15654 1 244 . 1 1 36 36 ARG HA H 1 4.31 0.02 . 1 . . . . 36 ARG HA . 15654 1 245 . 1 1 36 36 ARG HB2 H 1 1.82 0.02 . 2 . . . . 36 ARG HB2 . 15654 1 246 . 1 1 36 36 ARG HB3 H 1 1.74 0.02 . 2 . . . . 36 ARG HB3 . 15654 1 247 . 1 1 36 36 ARG C C 13 175.8 0.5 . 1 . . . . 36 ARG C . 15654 1 248 . 1 1 36 36 ARG CA C 13 56.1 0.5 . 1 . . . . 36 ARG CA . 15654 1 249 . 1 1 36 36 ARG CB C 13 30.4 0.5 . 1 . . . . 36 ARG CB . 15654 1 250 . 1 1 36 36 ARG N N 15 121.9 0.5 . 1 . . . . 36 ARG N . 15654 1 251 . 1 1 37 37 ARG H H 1 8.13 0.02 . 1 . . . . 37 ARG H . 15654 1 252 . 1 1 37 37 ARG HA H 1 4.29 0.02 . 1 . . . . 37 ARG HA . 15654 1 253 . 1 1 37 37 ARG HB2 H 1 1.77 0.02 . 2 . . . . 37 ARG HB2 . 15654 1 254 . 1 1 37 37 ARG HB3 H 1 1.66 0.02 . 2 . . . . 37 ARG HB3 . 15654 1 255 . 1 1 37 37 ARG C C 13 175.3 0.5 . 1 . . . . 37 ARG C . 15654 1 256 . 1 1 37 37 ARG CA C 13 55.7 0.5 . 1 . . . . 37 ARG CA . 15654 1 257 . 1 1 37 37 ARG CB C 13 30.6 0.5 . 1 . . . . 37 ARG CB . 15654 1 258 . 1 1 37 37 ARG N N 15 121.2 0.5 . 1 . . . . 37 ARG N . 15654 1 259 . 1 1 38 38 ALA H H 1 8.12 0.02 . 1 . . . . 38 ALA H . 15654 1 260 . 1 1 38 38 ALA HA H 1 4.53 0.02 . 1 . . . . 38 ALA HA . 15654 1 261 . 1 1 38 38 ALA HB1 H 1 1.28 0.02 . 1 . . . . 38 ALA HB . 15654 1 262 . 1 1 38 38 ALA HB2 H 1 1.28 0.02 . 1 . . . . 38 ALA HB . 15654 1 263 . 1 1 38 38 ALA HB3 H 1 1.28 0.02 . 1 . . . . 38 ALA HB . 15654 1 264 . 1 1 38 38 ALA C C 13 175.3 0.5 . 1 . . . . 38 ALA C . 15654 1 265 . 1 1 38 38 ALA CA C 13 50.4 0.5 . 1 . . . . 38 ALA CA . 15654 1 266 . 1 1 38 38 ALA CB C 13 18.2 0.5 . 1 . . . . 38 ALA CB . 15654 1 267 . 1 1 38 38 ALA N N 15 125.8 0.5 . 1 . . . . 38 ALA N . 15654 1 268 . 1 1 39 39 PRO HA H 1 4.38 0.02 . 1 . . . . 39 PRO HA . 15654 1 269 . 1 1 39 39 PRO HB2 H 1 2.21 0.02 . 2 . . . . 39 PRO HB2 . 15654 1 270 . 1 1 39 39 PRO HB3 H 1 1.86 0.02 . 2 . . . . 39 PRO HB3 . 15654 1 271 . 1 1 39 39 PRO C C 13 176.8 0.5 . 1 . . . . 39 PRO C . 15654 1 272 . 1 1 39 39 PRO CA C 13 63.3 0.5 . 1 . . . . 39 PRO CA . 15654 1 273 . 1 1 39 39 PRO CB C 13 31.7 0.5 . 1 . . . . 39 PRO CB . 15654 1 274 . 1 1 40 40 GLN H H 1 8.41 0.02 . 1 . . . . 40 GLN H . 15654 1 275 . 1 1 40 40 GLN HA H 1 4.36 0.02 . 1 . . . . 40 GLN HA . 15654 1 276 . 1 1 40 40 GLN HB2 H 1 2.12 0.02 . 2 . . . . 40 GLN HB2 . 15654 1 277 . 1 1 40 40 GLN HB3 H 1 1.96 0.02 . 2 . . . . 40 GLN HB3 . 15654 1 278 . 1 1 40 40 GLN C C 13 175.9 0.5 . 1 . . . . 40 GLN C . 15654 1 279 . 1 1 40 40 GLN CA C 13 55.9 0.5 . 1 . . . . 40 GLN CA . 15654 1 280 . 1 1 40 40 GLN CB C 13 29.3 0.5 . 1 . . . . 40 GLN CB . 15654 1 281 . 1 1 40 40 GLN N N 15 119.6 0.5 . 1 . . . . 40 GLN N . 15654 1 282 . 1 1 41 41 THR H H 1 8.05 0.02 . 1 . . . . 41 THR H . 15654 1 283 . 1 1 41 41 THR HA H 1 4.37 0.02 . 1 . . . . 41 THR HA . 15654 1 284 . 1 1 41 41 THR HB H 1 4.22 0.02 . 1 . . . . 41 THR HB . 15654 1 285 . 1 1 41 41 THR C C 13 174.9 0.5 . 1 . . . . 41 THR C . 15654 1 286 . 1 1 41 41 THR CA C 13 61.8 0.5 . 1 . . . . 41 THR CA . 15654 1 287 . 1 1 41 41 THR CB C 13 70.0 0.5 . 1 . . . . 41 THR CB . 15654 1 288 . 1 1 41 41 THR N N 15 113.7 0.5 . 1 . . . . 41 THR N . 15654 1 289 . 1 1 42 42 GLY H H 1 8.54 0.02 . 1 . . . . 42 GLY H . 15654 1 290 . 1 1 42 42 GLY HA2 H 1 4.09 0.02 . 1 . . . . 42 GLY HA2 . 15654 1 291 . 1 1 42 42 GLY HA3 H 1 4.09 0.02 . 1 . . . . 42 GLY HA3 . 15654 1 292 . 1 1 42 42 GLY C C 13 174.5 0.5 . 1 . . . . 42 GLY C . 15654 1 293 . 1 1 42 42 GLY CA C 13 45.6 0.5 . 1 . . . . 42 GLY CA . 15654 1 294 . 1 1 42 42 GLY N N 15 111.1 0.5 . 1 . . . . 42 GLY N . 15654 1 295 . 1 1 43 43 ILE H H 1 7.84 0.02 . 1 . . . . 43 ILE H . 15654 1 296 . 1 1 43 43 ILE HA H 1 3.92 0.02 . 1 . . . . 43 ILE HA . 15654 1 297 . 1 1 43 43 ILE HB H 1 1.34 0.02 . 1 . . . . 43 ILE HB . 15654 1 298 . 1 1 43 43 ILE C C 13 176.2 0.5 . 1 . . . . 43 ILE C . 15654 1 299 . 1 1 43 43 ILE CA C 13 62.2 0.5 . 1 . . . . 43 ILE CA . 15654 1 300 . 1 1 43 43 ILE CB C 13 37.8 0.5 . 1 . . . . 43 ILE CB . 15654 1 301 . 1 1 43 43 ILE N N 15 120.3 0.5 . 1 . . . . 43 ILE N . 15654 1 302 . 1 1 44 44 VAL H H 1 7.90 0.02 . 1 . . . . 44 VAL H . 15654 1 303 . 1 1 44 44 VAL HA H 1 3.66 0.02 . 1 . . . . 44 VAL HA . 15654 1 304 . 1 1 44 44 VAL HB H 1 1.94 0.02 . 1 . . . . 44 VAL HB . 15654 1 305 . 1 1 44 44 VAL C C 13 177.0 0.5 . 1 . . . . 44 VAL C . 15654 1 306 . 1 1 44 44 VAL CA C 13 64.6 0.5 . 1 . . . . 44 VAL CA . 15654 1 307 . 1 1 44 44 VAL CB C 13 31.5 0.5 . 1 . . . . 44 VAL CB . 15654 1 308 . 1 1 44 44 VAL N N 15 121.8 0.5 . 1 . . . . 44 VAL N . 15654 1 309 . 1 1 45 45 ASP H H 1 7.80 0.02 . 1 . . . . 45 ASP H . 15654 1 310 . 1 1 45 45 ASP HA H 1 4.39 0.02 . 1 . . . . 45 ASP HA . 15654 1 311 . 1 1 45 45 ASP HB2 H 1 2.63 0.02 . 1 . . . . 45 ASP HB2 . 15654 1 312 . 1 1 45 45 ASP HB3 H 1 2.63 0.02 . 1 . . . . 45 ASP HB3 . 15654 1 313 . 1 1 45 45 ASP C C 13 177.2 0.5 . 1 . . . . 45 ASP C . 15654 1 314 . 1 1 45 45 ASP CA C 13 56.2 0.5 . 1 . . . . 45 ASP CA . 15654 1 315 . 1 1 45 45 ASP CB C 13 41.3 0.5 . 1 . . . . 45 ASP CB . 15654 1 316 . 1 1 45 45 ASP N N 15 121.1 0.5 . 1 . . . . 45 ASP N . 15654 1 317 . 1 1 46 46 GLU H H 1 7.96 0.02 . 1 . . . . 46 GLU H . 15654 1 318 . 1 1 46 46 GLU HA H 1 4.04 0.02 . 1 . . . . 46 GLU HA . 15654 1 319 . 1 1 46 46 GLU HB2 H 1 2.03 0.02 . 1 . . . . 46 GLU HB2 . 15654 1 320 . 1 1 46 46 GLU HB3 H 1 2.03 0.02 . 1 . . . . 46 GLU HB3 . 15654 1 321 . 1 1 46 46 GLU C C 13 177.4 0.5 . 1 . . . . 46 GLU C . 15654 1 322 . 1 1 46 46 GLU CA C 13 59.0 0.5 . 1 . . . . 46 GLU CA . 15654 1 323 . 1 1 46 46 GLU CB C 13 30.3 0.5 . 1 . . . . 46 GLU CB . 15654 1 324 . 1 1 46 46 GLU N N 15 118.1 0.5 . 1 . . . . 46 GLU N . 15654 1 325 . 1 1 47 47 CYS H H 1 8.23 0.02 . 1 . . . . 47 CYS H . 15654 1 326 . 1 1 47 47 CYS HA H 1 4.79 0.02 . 1 . . . . 47 CYS HA . 15654 1 327 . 1 1 47 47 CYS HB2 H 1 3.24 0.02 . 2 . . . . 47 CYS HB2 . 15654 1 328 . 1 1 47 47 CYS HB3 H 1 2.98 0.02 . 2 . . . . 47 CYS HB3 . 15654 1 329 . 1 1 47 47 CYS C C 13 174.5 0.5 . 1 . . . . 47 CYS C . 15654 1 330 . 1 1 47 47 CYS CA C 13 56.9 0.5 . 1 . . . . 47 CYS CA . 15654 1 331 . 1 1 47 47 CYS CB C 13 42.8 0.5 . 1 . . . . 47 CYS CB . 15654 1 332 . 1 1 47 47 CYS N N 15 113.5 0.5 . 1 . . . . 47 CYS N . 15654 1 333 . 1 1 48 48 CYS H H 1 7.94 0.02 . 1 . . . . 48 CYS H . 15654 1 334 . 1 1 48 48 CYS HA H 1 4.51 0.02 . 1 . . . . 48 CYS HA . 15654 1 335 . 1 1 48 48 CYS HB2 H 1 3.23 0.02 . 2 . . . . 48 CYS HB2 . 15654 1 336 . 1 1 48 48 CYS HB3 H 1 2.70 0.02 . 2 . . . . 48 CYS HB3 . 15654 1 337 . 1 1 48 48 CYS C C 13 174.7 0.5 . 1 . . . . 48 CYS C . 15654 1 338 . 1 1 48 48 CYS CA C 13 56.9 0.5 . 1 . . . . 48 CYS CA . 15654 1 339 . 1 1 48 48 CYS CB C 13 40.9 0.5 . 1 . . . . 48 CYS CB . 15654 1 340 . 1 1 48 48 CYS N N 15 116.4 0.5 . 1 . . . . 48 CYS N . 15654 1 341 . 1 1 49 49 PHE H H 1 7.87 0.02 . 1 . . . . 49 PHE H . 15654 1 342 . 1 1 49 49 PHE HA H 1 4.65 0.02 . 1 . . . . 49 PHE HA . 15654 1 343 . 1 1 49 49 PHE HB2 H 1 3.32 0.02 . 2 . . . . 49 PHE HB2 . 15654 1 344 . 1 1 49 49 PHE HB3 H 1 3.03 0.02 . 2 . . . . 49 PHE HB3 . 15654 1 345 . 1 1 49 49 PHE C C 13 175.5 0.5 . 1 . . . . 49 PHE C . 15654 1 346 . 1 1 49 49 PHE CA C 13 57.8 0.5 . 1 . . . . 49 PHE CA . 15654 1 347 . 1 1 49 49 PHE CB C 13 39.1 0.5 . 1 . . . . 49 PHE CB . 15654 1 348 . 1 1 49 49 PHE N N 15 116.3 0.5 . 1 . . . . 49 PHE N . 15654 1 349 . 1 1 50 50 ARG H H 1 7.75 0.02 . 1 . . . . 50 ARG H . 15654 1 350 . 1 1 50 50 ARG HA H 1 4.45 0.02 . 1 . . . . 50 ARG HA . 15654 1 351 . 1 1 50 50 ARG HB2 H 1 1.85 0.02 . 1 . . . . 50 ARG HB2 . 15654 1 352 . 1 1 50 50 ARG HB3 H 1 1.85 0.02 . 1 . . . . 50 ARG HB3 . 15654 1 353 . 1 1 50 50 ARG C C 13 173.8 0.5 . 1 . . . . 50 ARG C . 15654 1 354 . 1 1 50 50 ARG CA C 13 55.2 0.5 . 1 . . . . 50 ARG CA . 15654 1 355 . 1 1 50 50 ARG CB C 13 31.7 0.5 . 1 . . . . 50 ARG CB . 15654 1 356 . 1 1 50 50 ARG N N 15 118.4 0.5 . 1 . . . . 50 ARG N . 15654 1 357 . 1 1 51 51 SER H H 1 7.87 0.02 . 1 . . . . 51 SER H . 15654 1 358 . 1 1 51 51 SER HA H 1 4.45 0.02 . 1 . . . . 51 SER HA . 15654 1 359 . 1 1 51 51 SER HB2 H 1 3.77 0.02 . 1 . . . . 51 SER HB2 . 15654 1 360 . 1 1 51 51 SER HB3 H 1 3.77 0.02 . 1 . . . . 51 SER HB3 . 15654 1 361 . 1 1 51 51 SER C C 13 174.1 0.5 . 1 . . . . 51 SER C . 15654 1 362 . 1 1 51 51 SER CA C 13 58.4 0.5 . 1 . . . . 51 SER CA . 15654 1 363 . 1 1 51 51 SER CB C 13 63.8 0.5 . 1 . . . . 51 SER CB . 15654 1 364 . 1 1 51 51 SER N N 15 112.5 0.5 . 1 . . . . 51 SER N . 15654 1 365 . 1 1 52 52 CYS H H 1 8.89 0.02 . 1 . . . . 52 CYS H . 15654 1 366 . 1 1 52 52 CYS HA H 1 4.81 0.02 . 1 . . . . 52 CYS HA . 15654 1 367 . 1 1 52 52 CYS HB2 H 1 3.27 0.02 . 2 . . . . 52 CYS HB2 . 15654 1 368 . 1 1 52 52 CYS HB3 H 1 3.15 0.02 . 2 . . . . 52 CYS HB3 . 15654 1 369 . 1 1 52 52 CYS C C 13 172.4 0.5 . 1 . . . . 52 CYS C . 15654 1 370 . 1 1 52 52 CYS CA C 13 53.2 0.5 . 1 . . . . 52 CYS CA . 15654 1 371 . 1 1 52 52 CYS CB C 13 43.9 0.5 . 1 . . . . 52 CYS CB . 15654 1 372 . 1 1 52 52 CYS N N 15 121.9 0.5 . 1 . . . . 52 CYS N . 15654 1 373 . 1 1 53 53 ASP H H 1 8.20 0.02 . 1 . . . . 53 ASP H . 15654 1 374 . 1 1 53 53 ASP HA H 1 4.63 0.02 . 1 . . . . 53 ASP HA . 15654 1 375 . 1 1 53 53 ASP HB2 H 1 2.75 0.02 . 1 . . . . 53 ASP HB2 . 15654 1 376 . 1 1 53 53 ASP HB3 H 1 2.75 0.02 . 1 . . . . 53 ASP HB3 . 15654 1 377 . 1 1 53 53 ASP C C 13 176.3 0.5 . 1 . . . . 53 ASP C . 15654 1 378 . 1 1 53 53 ASP CA C 13 52.9 0.5 . 1 . . . . 53 ASP CA . 15654 1 379 . 1 1 53 53 ASP CB C 13 41.8 0.5 . 1 . . . . 53 ASP CB . 15654 1 380 . 1 1 53 53 ASP N N 15 122.0 0.5 . 1 . . . . 53 ASP N . 15654 1 381 . 1 1 54 54 LEU H H 1 8.39 0.02 . 1 . . . . 54 LEU H . 15654 1 382 . 1 1 54 54 LEU HA H 1 3.96 0.02 . 1 . . . . 54 LEU HA . 15654 1 383 . 1 1 54 54 LEU HB2 H 1 1.73 0.02 . 2 . . . . 54 LEU HB2 . 15654 1 384 . 1 1 54 54 LEU HB3 H 1 1.56 0.02 . 2 . . . . 54 LEU HB3 . 15654 1 385 . 1 1 54 54 LEU C C 13 178.8 0.5 . 1 . . . . 54 LEU C . 15654 1 386 . 1 1 54 54 LEU CA C 13 58.0 0.5 . 1 . . . . 54 LEU CA . 15654 1 387 . 1 1 54 54 LEU CB C 13 41.5 0.5 . 1 . . . . 54 LEU CB . 15654 1 388 . 1 1 54 54 LEU N N 15 123.1 0.5 . 1 . . . . 54 LEU N . 15654 1 389 . 1 1 55 55 ARG H H 1 8.11 0.02 . 1 . . . . 55 ARG H . 15654 1 390 . 1 1 55 55 ARG HA H 1 4.08 0.02 . 1 . . . . 55 ARG HA . 15654 1 391 . 1 1 55 55 ARG HB2 H 1 1.85 0.02 . 1 . . . . 55 ARG HB2 . 15654 1 392 . 1 1 55 55 ARG HB3 H 1 1.85 0.02 . 1 . . . . 55 ARG HB3 . 15654 1 393 . 1 1 55 55 ARG C C 13 179.1 0.5 . 1 . . . . 55 ARG C . 15654 1 394 . 1 1 55 55 ARG CA C 13 58.6 0.5 . 1 . . . . 55 ARG CA . 15654 1 395 . 1 1 55 55 ARG CB C 13 29.3 0.5 . 1 . . . . 55 ARG CB . 15654 1 396 . 1 1 55 55 ARG N N 15 116.8 0.5 . 1 . . . . 55 ARG N . 15654 1 397 . 1 1 56 56 ARG H H 1 7.89 0.02 . 1 . . . . 56 ARG H . 15654 1 398 . 1 1 56 56 ARG HA H 1 4.18 0.02 . 1 . . . . 56 ARG HA . 15654 1 399 . 1 1 56 56 ARG HB2 H 1 1.98 0.02 . 1 . . . . 56 ARG HB2 . 15654 1 400 . 1 1 56 56 ARG HB3 H 1 1.98 0.02 . 1 . . . . 56 ARG HB3 . 15654 1 401 . 1 1 56 56 ARG C C 13 178.3 0.5 . 1 . . . . 56 ARG C . 15654 1 402 . 1 1 56 56 ARG CA C 13 57.4 0.5 . 1 . . . . 56 ARG CA . 15654 1 403 . 1 1 56 56 ARG CB C 13 29.5 0.5 . 1 . . . . 56 ARG CB . 15654 1 404 . 1 1 56 56 ARG N N 15 118.9 0.5 . 1 . . . . 56 ARG N . 15654 1 405 . 1 1 57 57 LEU H H 1 7.77 0.02 . 1 . . . . 57 LEU H . 15654 1 406 . 1 1 57 57 LEU HA H 1 4.11 0.02 . 1 . . . . 57 LEU HA . 15654 1 407 . 1 1 57 57 LEU HB2 H 1 1.92 0.02 . 2 . . . . 57 LEU HB2 . 15654 1 408 . 1 1 57 57 LEU HB3 H 1 1.48 0.02 . 2 . . . . 57 LEU HB3 . 15654 1 409 . 1 1 57 57 LEU C C 13 177.8 0.5 . 1 . . . . 57 LEU C . 15654 1 410 . 1 1 57 57 LEU CA C 13 57.6 0.5 . 1 . . . . 57 LEU CA . 15654 1 411 . 1 1 57 57 LEU CB C 13 41.7 0.5 . 1 . . . . 57 LEU CB . 15654 1 412 . 1 1 57 57 LEU N N 15 117.9 0.5 . 1 . . . . 57 LEU N . 15654 1 413 . 1 1 58 58 GLU H H 1 7.72 0.02 . 1 . . . . 58 GLU H . 15654 1 414 . 1 1 58 58 GLU HA H 1 4.21 0.02 . 1 . . . . 58 GLU HA . 15654 1 415 . 1 1 58 58 GLU HB2 H 1 2.00 0.02 . 1 . . . . 58 GLU HB2 . 15654 1 416 . 1 1 58 58 GLU HB3 H 1 2.00 0.02 . 1 . . . . 58 GLU HB3 . 15654 1 417 . 1 1 58 58 GLU C C 13 178.6 0.5 . 1 . . . . 58 GLU C . 15654 1 418 . 1 1 58 58 GLU CA C 13 58.2 0.5 . 1 . . . . 58 GLU CA . 15654 1 419 . 1 1 58 58 GLU CB C 13 29.1 0.5 . 1 . . . . 58 GLU CB . 15654 1 420 . 1 1 58 58 GLU N N 15 115.8 0.5 . 1 . . . . 58 GLU N . 15654 1 421 . 1 1 59 59 MET H H 1 7.51 0.02 . 1 . . . . 59 MET H . 15654 1 422 . 1 1 59 59 MET HA H 1 4.18 0.02 . 1 . . . . 59 MET HA . 15654 1 423 . 1 1 59 59 MET HB2 H 1 2.03 0.02 . 2 . . . . 59 MET HB2 . 15654 1 424 . 1 1 59 59 MET HB3 H 1 1.89 0.02 . 2 . . . . 59 MET HB3 . 15654 1 425 . 1 1 59 59 MET C C 13 176.6 0.5 . 1 . . . . 59 MET C . 15654 1 426 . 1 1 59 59 MET CA C 13 57.4 0.5 . 1 . . . . 59 MET CA . 15654 1 427 . 1 1 59 59 MET CB C 13 31.6 0.5 . 1 . . . . 59 MET CB . 15654 1 428 . 1 1 59 59 MET N N 15 116.4 0.5 . 1 . . . . 59 MET N . 15654 1 429 . 1 1 60 60 TYR H H 1 7.94 0.02 . 1 . . . . 60 TYR H . 15654 1 430 . 1 1 60 60 TYR HA H 1 4.47 0.02 . 1 . . . . 60 TYR HA . 15654 1 431 . 1 1 60 60 TYR HB2 H 1 3.50 0.02 . 2 . . . . 60 TYR HB2 . 15654 1 432 . 1 1 60 60 TYR HB3 H 1 2.87 0.02 . 2 . . . . 60 TYR HB3 . 15654 1 433 . 1 1 60 60 TYR C C 13 175.5 0.5 . 1 . . . . 60 TYR C . 15654 1 434 . 1 1 60 60 TYR CA C 13 59.1 0.5 . 1 . . . . 60 TYR CA . 15654 1 435 . 1 1 60 60 TYR CB C 13 38.0 0.5 . 1 . . . . 60 TYR CB . 15654 1 436 . 1 1 60 60 TYR N N 15 117.2 0.5 . 1 . . . . 60 TYR N . 15654 1 437 . 1 1 61 61 CYS H H 1 7.44 0.02 . 1 . . . . 61 CYS H . 15654 1 438 . 1 1 61 61 CYS HA H 1 5.07 0.02 . 1 . . . . 61 CYS HA . 15654 1 439 . 1 1 61 61 CYS HB2 H 1 3.14 0.02 . 2 . . . . 61 CYS HB2 . 15654 1 440 . 1 1 61 61 CYS HB3 H 1 2.74 0.02 . 2 . . . . 61 CYS HB3 . 15654 1 441 . 1 1 61 61 CYS C C 13 175.2 0.5 . 1 . . . . 61 CYS C . 15654 1 442 . 1 1 61 61 CYS CA C 13 53.0 0.5 . 1 . . . . 61 CYS CA . 15654 1 443 . 1 1 61 61 CYS CB C 13 35.4 0.5 . 1 . . . . 61 CYS CB . 15654 1 444 . 1 1 61 61 CYS N N 15 115.8 0.5 . 1 . . . . 61 CYS N . 15654 1 445 . 1 1 62 62 ALA H H 1 8.21 0.02 . 1 . . . . 62 ALA H . 15654 1 446 . 1 1 62 62 ALA HA H 1 4.32 0.02 . 1 . . . . 62 ALA HA . 15654 1 447 . 1 1 62 62 ALA HB1 H 1 1.18 0.02 . 1 . . . . 62 ALA HB . 15654 1 448 . 1 1 62 62 ALA HB2 H 1 1.18 0.02 . 1 . . . . 62 ALA HB . 15654 1 449 . 1 1 62 62 ALA HB3 H 1 1.18 0.02 . 1 . . . . 62 ALA HB . 15654 1 450 . 1 1 62 62 ALA C C 13 174.7 0.5 . 1 . . . . 62 ALA C . 15654 1 451 . 1 1 62 62 ALA CA C 13 51.0 0.5 . 1 . . . . 62 ALA CA . 15654 1 452 . 1 1 62 62 ALA CB C 13 17.2 0.5 . 1 . . . . 62 ALA CB . 15654 1 453 . 1 1 62 62 ALA N N 15 126.6 0.5 . 1 . . . . 62 ALA N . 15654 1 454 . 1 1 63 63 PRO HA H 1 4.37 0.02 . 1 . . . . 63 PRO HA . 15654 1 455 . 1 1 63 63 PRO HB2 H 1 2.24 0.02 . 2 . . . . 63 PRO HB2 . 15654 1 456 . 1 1 63 63 PRO HB3 H 1 1.81 0.02 . 2 . . . . 63 PRO HB3 . 15654 1 457 . 1 1 63 63 PRO C C 13 176.6 0.5 . 1 . . . . 63 PRO C . 15654 1 458 . 1 1 63 63 PRO CA C 13 62.9 0.5 . 1 . . . . 63 PRO CA . 15654 1 459 . 1 1 63 63 PRO CB C 13 31.9 0.5 . 1 . . . . 63 PRO CB . 15654 1 460 . 1 1 64 64 LEU H H 1 8.19 0.02 . 1 . . . . 64 LEU H . 15654 1 461 . 1 1 64 64 LEU HA H 1 4.19 0.02 . 1 . . . . 64 LEU HA . 15654 1 462 . 1 1 64 64 LEU HB2 H 1 1.51 0.02 . 1 . . . . 64 LEU HB2 . 15654 1 463 . 1 1 64 64 LEU HB3 H 1 1.51 0.02 . 1 . . . . 64 LEU HB3 . 15654 1 464 . 1 1 64 64 LEU C C 13 176.9 0.5 . 1 . . . . 64 LEU C . 15654 1 465 . 1 1 64 64 LEU CA C 13 55.3 0.5 . 1 . . . . 64 LEU CA . 15654 1 466 . 1 1 64 64 LEU CB C 13 42.8 0.5 . 1 . . . . 64 LEU CB . 15654 1 467 . 1 1 64 64 LEU N N 15 121.9 0.5 . 1 . . . . 64 LEU N . 15654 1 468 . 1 1 65 65 LYS H H 1 8.27 0.02 . 1 . . . . 65 LYS H . 15654 1 469 . 1 1 65 65 LYS HA H 1 4.55 0.02 . 1 . . . . 65 LYS HA . 15654 1 470 . 1 1 65 65 LYS HB2 H 1 1.69 0.02 . 1 . . . . 65 LYS HB2 . 15654 1 471 . 1 1 65 65 LYS HB3 H 1 1.69 0.02 . 1 . . . . 65 LYS HB3 . 15654 1 472 . 1 1 65 65 LYS C C 13 174.2 0.5 . 1 . . . . 65 LYS C . 15654 1 473 . 1 1 65 65 LYS CA C 13 53.9 0.5 . 1 . . . . 65 LYS CA . 15654 1 474 . 1 1 65 65 LYS N N 15 123.5 0.5 . 1 . . . . 65 LYS N . 15654 1 475 . 1 1 66 66 PRO HA H 1 4.35 0.02 . 1 . . . . 66 PRO HA . 15654 1 476 . 1 1 66 66 PRO HB2 H 1 2.25 0.02 . 2 . . . . 66 PRO HB2 . 15654 1 477 . 1 1 66 66 PRO HB3 H 1 1.86 0.02 . 2 . . . . 66 PRO HB3 . 15654 1 478 . 1 1 66 66 PRO C C 13 176.5 0.5 . 1 . . . . 66 PRO C . 15654 1 479 . 1 1 66 66 PRO CA C 13 62.9 0.5 . 1 . . . . 66 PRO CA . 15654 1 480 . 1 1 66 66 PRO CB C 13 31.9 0.5 . 1 . . . . 66 PRO CB . 15654 1 481 . 1 1 67 67 ALA H H 1 8.29 0.02 . 1 . . . . 67 ALA H . 15654 1 482 . 1 1 67 67 ALA HA H 1 4.26 0.02 . 1 . . . . 67 ALA HA . 15654 1 483 . 1 1 67 67 ALA HB1 H 1 1.36 0.02 . 1 . . . . 67 ALA HB . 15654 1 484 . 1 1 67 67 ALA HB2 H 1 1.36 0.02 . 1 . . . . 67 ALA HB . 15654 1 485 . 1 1 67 67 ALA HB3 H 1 1.36 0.02 . 1 . . . . 67 ALA HB . 15654 1 486 . 1 1 67 67 ALA C C 13 177.6 0.5 . 1 . . . . 67 ALA C . 15654 1 487 . 1 1 67 67 ALA CA C 13 52.3 0.5 . 1 . . . . 67 ALA CA . 15654 1 488 . 1 1 67 67 ALA CB C 13 19.2 0.5 . 1 . . . . 67 ALA CB . 15654 1 489 . 1 1 67 67 ALA N N 15 124.5 0.5 . 1 . . . . 67 ALA N . 15654 1 490 . 1 1 68 68 LYS H H 1 8.17 0.02 . 1 . . . . 68 LYS H . 15654 1 491 . 1 1 68 68 LYS HA H 1 4.33 0.02 . 1 . . . . 68 LYS HA . 15654 1 492 . 1 1 68 68 LYS HB2 H 1 1.78 0.02 . 1 . . . . 68 LYS HB2 . 15654 1 493 . 1 1 68 68 LYS HB3 H 1 1.78 0.02 . 1 . . . . 68 LYS HB3 . 15654 1 494 . 1 1 68 68 LYS C C 13 176.3 0.5 . 1 . . . . 68 LYS C . 15654 1 495 . 1 1 68 68 LYS CA C 13 56.1 0.5 . 1 . . . . 68 LYS CA . 15654 1 496 . 1 1 68 68 LYS CB C 13 33.3 0.5 . 1 . . . . 68 LYS CB . 15654 1 497 . 1 1 68 68 LYS N N 15 120.1 0.5 . 1 . . . . 68 LYS N . 15654 1 498 . 1 1 69 69 SER H H 1 8.27 0.02 . 1 . . . . 69 SER H . 15654 1 499 . 1 1 69 69 SER HA H 1 4.41 0.02 . 1 . . . . 69 SER HA . 15654 1 500 . 1 1 69 69 SER HB2 H 1 3.82 0.02 . 1 . . . . 69 SER HB2 . 15654 1 501 . 1 1 69 69 SER HB3 H 1 3.82 0.02 . 1 . . . . 69 SER HB3 . 15654 1 502 . 1 1 69 69 SER C C 13 173.1 0.5 . 1 . . . . 69 SER C . 15654 1 503 . 1 1 69 69 SER CA C 13 58.2 0.5 . 1 . . . . 69 SER CA . 15654 1 504 . 1 1 69 69 SER CB C 13 64.1 0.5 . 1 . . . . 69 SER CB . 15654 1 505 . 1 1 69 69 SER N N 15 117.9 0.5 . 1 . . . . 69 SER N . 15654 1 506 . 1 1 70 70 ALA H H 1 7.90 0.02 . 1 . . . . 70 ALA H . 15654 1 507 . 1 1 70 70 ALA HA H 1 4.09 0.02 . 1 . . . . 70 ALA HA . 15654 1 508 . 1 1 70 70 ALA HB1 H 1 1.28 0.02 . 1 . . . . 70 ALA HB3 . 15654 1 509 . 1 1 70 70 ALA HB2 H 1 1.28 0.02 . 1 . . . . 70 ALA HB2 . 15654 1 510 . 1 1 70 70 ALA HB3 H 1 1.28 0.02 . 1 . . . . 70 ALA HB3 . 15654 1 511 . 1 1 70 70 ALA C C 13 182.3 0.5 . 1 . . . . 70 ALA C . 15654 1 512 . 1 1 70 70 ALA CA C 13 53.8 0.5 . 1 . . . . 70 ALA CA . 15654 1 513 . 1 1 70 70 ALA N N 15 131.1 0.5 . 1 . . . . 70 ALA N . 15654 1 stop_ save_