data_4494 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4494 _Entry.Title ; Solution Structure and Backbone Dynamics of Human Long-[Arg3]Insulin-Like Growth Factor 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-04-13 _Entry.Accession_date 1999-12-06 _Entry.Last_release_date 1999-12-06 _Entry.Original_release_date 1999-12-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 L. Laajoki . G. . . 4494 2 G. Francis . L. . . 4494 3 J. Wallace . C. . . 4494 4 J. Carver . A. . . 4494 5 M. Keniry . A. . . 4494 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4494 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 76 4494 '1H chemical shifts' 498 4494 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2000-06-16 . original BMRB . 4494 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4494 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20209364 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution Structure and Backbone Dynamics of Human Long-[Arg3]-Insulin Like Growth factor-1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'Journal of Biological Chemistry' _Citation.Journal_volume 275 _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 10009 _Citation.Page_last 10015 _Citation.Year 2000 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 L. Laajoki . G. . . 4494 1 2 G. Francis . L. . . 4494 1 3 J. Wallace . C. . . 4494 1 4 J. Carver . A. . . 4494 1 5 M. Keniry . A. . . 4494 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Growth Factor' 4494 1 'Insulin-Like Growth Factor-1' 4494 1 NMR 4494 1 'distance geometry' 4494 1 'protein structure' 4494 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_IGF-I _Assembly.Sf_category assembly _Assembly.Sf_framecode system_IGF-I _Assembly.Entry_ID 4494 _Assembly.ID 1 _Assembly.Name 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 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number n/a _Assembly.Details ; In Long-[Arg3]-IGF-I Glu 3 has been mutated to Arg using site-directed mutagenesis. At most 20% is in dimeric form. ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomeric 4494 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 IGF-I 1 $IGF-I . . . native . . . . . 4494 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_asym_ID_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_asym_ID_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 31 31 SG . 1 . 1 CYS 74 74 SG . . . . . . . . . . . . 4494 1 2 disulfide single . 1 . 1 CYS 19 19 SG . 1 . 1 CYS 61 61 SG . . . . . . . . . . . . 4494 1 3 disulfide single . 1 . 1 CYS 60 60 SG . 1 . 1 CYS 65 65 SG . . . . . . . . . . . . 4494 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 1 CYS 31 31 HG . . . . 4494 1 2 . 1 1 CYS 74 74 HG . . . . 4494 1 3 . 1 1 CYS 19 19 HG . . . . 4494 1 4 . 1 1 CYS 61 61 HG . . . . 4494 1 5 . 1 1 CYS 60 60 HG . . . . 4494 1 6 . 1 1 CYS 65 65 HG . . . . 4494 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID IGF-I abbreviation 4494 1 IGF-I system 4494 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IGF-I _Entity.Sf_category entity _Entity.Sf_framecode IGF-I _Entity.Entry_ID 4494 _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 ; MFPAMPLSSLFVNGPRTLCG AELVDALQFVCGDRGFYFNK PTGYGSSSRRAPQTGIVDEC CFRSCDLRRLEMYCAPLKPA 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 '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 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . no BMRB 2498 . 'insulin-like growth factor-I' . . . . . 84.34 70 98.57 98.57 4.84e-33 . . . . 4494 1 . no BMRB 4069 . 'Long-[Arg-3]-Insulin-Like Growth Factor-I' . . . . . 100.00 83 100.00 100.00 2.67e-41 . . . . 4494 1 . no BMRB 4204 . 'Insulin-like growth factor-I (Somatomedin C)' . . . . . 84.34 70 98.57 98.57 4.84e-33 . . . . 4494 1 . no PDB 1BQT . ; Three-Dimensional Structure Of Human Insulin-Like Growth Factor-I (Igf-I) Determined By 1h-Nmr And Distance Geometry, 6 Structures ; . . . . . 84.34 70 98.57 98.57 4.84e-33 . . . . 4494 1 . no PDB 1GZR . 'Human Insulin-Like Growth Factor; Esrf Data' . . . . . 84.34 70 98.57 98.57 4.84e-33 . . . . 4494 1 . no PDB 1GZY . 'Human Insulin-Like Growth Factor; In-House Data' . . . . . 84.34 70 98.57 98.57 4.84e-33 . . . . 4494 1 . no PDB 1GZZ . 'Human Insulin-Like Growth Factor; Hamburg Data' . . . . . 84.34 70 98.57 98.57 4.84e-33 . . . . 4494 1 . no PDB 1H02 . 'Human Insulin-Like Growth Factor; Srs Daresbury Data' . . . . . 84.34 70 98.57 98.57 4.84e-33 . . . . 4494 1 . no PDB 1H59 . 'Complex Of Igfbp-5 With Igf-I' . . . . . 84.34 70 98.57 98.57 4.84e-33 . . . . 4494 1 . no PDB 1IMX . '1.8 Angstrom Crystal Structure Of Igf-1' . . . . . 84.34 70 98.57 98.57 4.84e-33 . . . . 4494 1 . no PDB 1PMX . 'Insulin-Like Growth Factor-I Bound To A Phage-Derived Peptide' . . . . . 84.34 70 98.57 98.57 4.84e-33 . . . . 4494 1 . 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 4.84e-33 . . . . 4494 1 . no PDB 2DSP . 'Structural Basis For The Inhibition Of Insulin-Like Growth Factors By Igf Binding Proteins' . . . . . 84.34 70 98.57 98.57 4.84e-33 . . . . 4494 1 . no PDB 2DSQ . 'Structural Basis For The Inhibition Of Insulin-Like Growth Factors By Igf Binding Proteins' . . . . . 84.34 70 98.57 98.57 4.84e-33 . . . . 4494 1 . no PDB 2DSR . 'Structural Basis For The Inhibition Of Insulin-Like Growth Factors By Igf Binding Proteins' . . . . . 84.34 70 98.57 98.57 4.84e-33 . . . . 4494 1 . 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 4.84e-33 . . . . 4494 1 . 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 4.84e-33 . . . . 4494 1 . no PDB 3LRI . 'Solution Structure And Backbone Dynamics Of Human Long- [arg3]insulin-Like Growth Factor 1' . . . . . 98.80 83 98.78 98.78 1.87e-39 . . . . 4494 1 . no DBJ BAA01200 . 'Met-somatomedin C polypeptide [synthetic construct]' . . . . . 84.34 71 98.57 98.57 4.53e-33 . . . . 4494 1 . no EMBL CAA27153 . 'unnamed protein product [Homo sapiens]' . . . . . 53.01 60 100.00 100.00 7.56e-18 . . . . 4494 1 . no EMBL CAA28759 . 'unnamed protein product [synthetic construct]' . . . . . 84.34 137 98.57 98.57 5.44e-34 . . . . 4494 1 . no GenBank AAA72204 . 'insulin-like growth factor' . . . . . 84.34 70 98.57 98.57 4.84e-33 . . . . 4494 1 . no GenBank AAA72579 . 'insulin-like growth factor' . . . . . 84.34 71 98.57 98.57 4.53e-33 . . . . 4494 1 . no GenBank AAA72763 . 'synthetic insulin-like growth factor' . . . . . 84.34 71 98.57 98.57 4.53e-33 . . . . 4494 1 . no GenBank AAD14209 . 'insulin-like growth factor 1 [Bos taurus]' . . . . . 84.34 70 98.57 98.57 4.84e-33 . . . . 4494 1 . no GenBank AAF73227 . 'insulin-like growth factor I [Capreolus capreolus]' . . . . . 71.08 66 98.31 100.00 5.77e-27 . . . . 4494 1 . no PRF 0912651A . 'somatomedin C' . . . . . 84.34 70 98.57 98.57 4.84e-33 . . . . 4494 1 . no REF XP_853117 . 'PREDICTED: similar to insulin-like growth factor 1 (somatomedin C) isoform 2 [Canis familiaris]' . . . . . 84.34 153 98.57 98.57 5.04e-34 . . . . 4494 1 . no REF XP_866935 . 'PREDICTED: similar to insulin-like growth factor 1 (somatomedin C) isoform 3 [Canis familiaris]' . . . . . 84.34 137 98.57 98.57 2.59e-34 . . . . 4494 1 . no REF XP_866946 . ; PREDICTED: similar to Insulin-like growth factor IB precursor (IGF-IB) (Somatomedin C) (Mechano growth factor) (MGF) isoform 4 [Canis familiaris] ; . . . . . 84.34 159 98.57 98.57 7.46e-34 . . . . 4494 1 . no SWISS-PROT P33712 . 'Insulin-like growth factor I precursor (IGF-I) (Somatomedin)' . . . . . 84.34 153 98.57 98.57 5.04e-34 . . . . 4494 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID E3R abbreviation 4494 1 'E3R, 13 residue N-terminal extension' variant 4494 1 IGF-I common 4494 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 . 4494 1 2 . PHE . 4494 1 3 . PRO . 4494 1 4 . ALA . 4494 1 5 . MET . 4494 1 6 . PRO . 4494 1 7 . LEU . 4494 1 8 . SER . 4494 1 9 . SER . 4494 1 10 . LEU . 4494 1 11 . PHE . 4494 1 12 . VAL . 4494 1 13 . ASN . 4494 1 14 . GLY . 4494 1 15 . PRO . 4494 1 16 . ARG . 4494 1 17 . THR . 4494 1 18 . LEU . 4494 1 19 . CYS . 4494 1 20 . GLY . 4494 1 21 . ALA . 4494 1 22 . GLU . 4494 1 23 . LEU . 4494 1 24 . VAL . 4494 1 25 . ASP . 4494 1 26 . ALA . 4494 1 27 . LEU . 4494 1 28 . GLN . 4494 1 29 . PHE . 4494 1 30 . VAL . 4494 1 31 . CYS . 4494 1 32 . GLY . 4494 1 33 . ASP . 4494 1 34 . ARG . 4494 1 35 . GLY . 4494 1 36 . PHE . 4494 1 37 . TYR . 4494 1 38 . PHE . 4494 1 39 . ASN . 4494 1 40 . LYS . 4494 1 41 . PRO . 4494 1 42 . THR . 4494 1 43 . GLY . 4494 1 44 . TYR . 4494 1 45 . GLY . 4494 1 46 . SER . 4494 1 47 . SER . 4494 1 48 . SER . 4494 1 49 . ARG . 4494 1 50 . ARG . 4494 1 51 . ALA . 4494 1 52 . PRO . 4494 1 53 . GLN . 4494 1 54 . THR . 4494 1 55 . GLY . 4494 1 56 . ILE . 4494 1 57 . VAL . 4494 1 58 . ASP . 4494 1 59 . GLU . 4494 1 60 . CYS . 4494 1 61 . CYS . 4494 1 62 . PHE . 4494 1 63 . ARG . 4494 1 64 . SER . 4494 1 65 . CYS . 4494 1 66 . ASP . 4494 1 67 . LEU . 4494 1 68 . ARG . 4494 1 69 . ARG . 4494 1 70 . LEU . 4494 1 71 . GLU . 4494 1 72 . MET . 4494 1 73 . TYR . 4494 1 74 . CYS . 4494 1 75 . ALA . 4494 1 76 . PRO . 4494 1 77 . LEU . 4494 1 78 . LYS . 4494 1 79 . PRO . 4494 1 80 . ALA . 4494 1 81 . LYS . 4494 1 82 . SER . 4494 1 83 . ALA . 4494 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 4494 1 . PHE 2 2 4494 1 . PRO 3 3 4494 1 . ALA 4 4 4494 1 . MET 5 5 4494 1 . PRO 6 6 4494 1 . LEU 7 7 4494 1 . SER 8 8 4494 1 . SER 9 9 4494 1 . LEU 10 10 4494 1 . PHE 11 11 4494 1 . VAL 12 12 4494 1 . ASN 13 13 4494 1 . GLY 14 14 4494 1 . PRO 15 15 4494 1 . ARG 16 16 4494 1 . THR 17 17 4494 1 . LEU 18 18 4494 1 . CYS 19 19 4494 1 . GLY 20 20 4494 1 . ALA 21 21 4494 1 . GLU 22 22 4494 1 . LEU 23 23 4494 1 . VAL 24 24 4494 1 . ASP 25 25 4494 1 . ALA 26 26 4494 1 . LEU 27 27 4494 1 . GLN 28 28 4494 1 . PHE 29 29 4494 1 . VAL 30 30 4494 1 . CYS 31 31 4494 1 . GLY 32 32 4494 1 . ASP 33 33 4494 1 . ARG 34 34 4494 1 . GLY 35 35 4494 1 . PHE 36 36 4494 1 . TYR 37 37 4494 1 . PHE 38 38 4494 1 . ASN 39 39 4494 1 . LYS 40 40 4494 1 . PRO 41 41 4494 1 . THR 42 42 4494 1 . GLY 43 43 4494 1 . TYR 44 44 4494 1 . GLY 45 45 4494 1 . SER 46 46 4494 1 . SER 47 47 4494 1 . SER 48 48 4494 1 . ARG 49 49 4494 1 . ARG 50 50 4494 1 . ALA 51 51 4494 1 . PRO 52 52 4494 1 . GLN 53 53 4494 1 . THR 54 54 4494 1 . GLY 55 55 4494 1 . ILE 56 56 4494 1 . VAL 57 57 4494 1 . ASP 58 58 4494 1 . GLU 59 59 4494 1 . CYS 60 60 4494 1 . CYS 61 61 4494 1 . PHE 62 62 4494 1 . ARG 63 63 4494 1 . SER 64 64 4494 1 . CYS 65 65 4494 1 . ASP 66 66 4494 1 . LEU 67 67 4494 1 . ARG 68 68 4494 1 . ARG 69 69 4494 1 . LEU 70 70 4494 1 . GLU 71 71 4494 1 . MET 72 72 4494 1 . TYR 73 73 4494 1 . CYS 74 74 4494 1 . ALA 75 75 4494 1 . PRO 76 76 4494 1 . LEU 77 77 4494 1 . LYS 78 78 4494 1 . PRO 79 79 4494 1 . ALA 80 80 4494 1 . LYS 81 81 4494 1 . SER 82 82 4494 1 . ALA 83 83 4494 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 4494 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $IGF-I . 562 . . 'Escherichia coli' 'Escherichia coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 4494 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 4494 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $IGF-I . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli JM101 . 'ATCC 33876' plasmid . . p[MET1]pGH(1-11)-VAL-ASN-[ARG3]-IGF-I . . . 4494 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4494 _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 . . . 1 $IGF-I . . 1.0 . . mM . . . . 4494 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4494 _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 3.0 . n/a 4494 1 temperature 303 . K 4494 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4494 _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 4494 _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 Varian INOVA . 600 . . . 4494 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 4494 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4494 1 2 '3D 15N-TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4494 1 3 '3D 15N-HSQC-NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4494 1 4 '3D HNHA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4494 1 5 '3D HNHB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4494 1 6 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4494 1 7 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4494 1 8 '2D 15N-HSQC-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4494 1 9 '2D 15N-HSQC-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4494 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4494 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP 'methyl protons' . . . . ppm 0 external direct . . external . . . 4494 1 N 15 TSP 'methyl protons' . . . . ppm 0 external indirect 0.101329112 . . . . . 4494 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_chem_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4494 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-NOESY-HSQC' 1 $sample_1 . 4494 1 2 '3D 15N-TOCSY-HSQC' 1 $sample_1 . 4494 1 3 '3D 15N-HSQC-NOESY-HSQC' 1 $sample_1 . 4494 1 4 '3D HNHA' 1 $sample_1 . 4494 1 5 '3D HNHB' 1 $sample_1 . 4494 1 6 '2D NOESY' 1 $sample_1 . 4494 1 7 '2D TOCSY' 1 $sample_1 . 4494 1 8 '2D 15N-HSQC-TOCSY' 1 $sample_1 . 4494 1 9 '2D 15N-HSQC-NOESY' 1 $sample_1 . 4494 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.Ambiguity_set_ID _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 N N 15 121.9 . . 1 . . . . . . . . . 4494 1 2 . 1 1 1 1 MET H H 1 8.22 . . 1 . . . . . . . . . 4494 1 3 . 1 1 1 1 MET HA H 1 4.35 . . 1 . . . . . . . . . 4494 1 4 . 1 1 1 1 MET HB2 H 1 2.07 . . 1 . . . . . . . . . 4494 1 5 . 1 1 1 1 MET HB3 H 1 2.05 . . 1 . . . . . . . . . 4494 1 6 . 1 1 1 1 MET HG2 H 1 2.64 . . 1 . . . . . . . . . 4494 1 7 . 1 1 1 1 MET HG3 H 1 2.57 . . 1 . . . . . . . . . 4494 1 8 . 1 1 1 1 MET HE1 H 1 1.95 . . 1 . . . . . . . . . 4494 1 9 . 1 1 1 1 MET HE2 H 1 1.95 . . 1 . . . . . . . . . 4494 1 10 . 1 1 1 1 MET HE3 H 1 1.95 . . 1 . . . . . . . . . 4494 1 11 . 1 1 2 2 PHE N N 15 125.8 . . 1 . . . . . . . . . 4494 1 12 . 1 1 2 2 PHE H H 1 8.65 . . 1 . . . . . . . . . 4494 1 13 . 1 1 2 2 PHE HA H 1 4.75 . . 1 . . . . . . . . . 4494 1 14 . 1 1 2 2 PHE HB2 H 1 3.20 . . 2 . . . . . . . . . 4494 1 15 . 1 1 2 2 PHE HB3 H 1 2.98 . . 2 . . . . . . . . . 4494 1 16 . 1 1 2 2 PHE HD1 H 1 7.26 . . 2 . . . . . . . . . 4494 1 17 . 1 1 3 3 PRO HA H 1 4.40 . . 1 . . . . . . . . . 4494 1 18 . 1 1 3 3 PRO HB2 H 1 2.29 . . 2 . . . . . . . . . 4494 1 19 . 1 1 3 3 PRO HG2 H 1 2.09 . . 2 . . . . . . . . . 4494 1 20 . 1 1 3 3 PRO HG3 H 1 2.07 . . 2 . . . . . . . . . 4494 1 21 . 1 1 4 4 ALA N N 15 126.3 . . 1 . . . . . . . . . 4494 1 22 . 1 1 4 4 ALA H H 1 8.36 . . 1 . . . . . . . . . 4494 1 23 . 1 1 4 4 ALA HA H 1 4.41 . . 1 . . . . . . . . . 4494 1 24 . 1 1 4 4 ALA HB1 H 1 1.41 . . 1 . . . . . . . . . 4494 1 25 . 1 1 4 4 ALA HB2 H 1 1.41 . . 1 . . . . . . . . . 4494 1 26 . 1 1 4 4 ALA HB3 H 1 1.41 . . 1 . . . . . . . . . 4494 1 27 . 1 1 5 5 MET N N 15 121.9 . . 1 . . . . . . . . . 4494 1 28 . 1 1 5 5 MET H H 1 8.24 . . 1 . . . . . . . . . 4494 1 29 . 1 1 5 5 MET HA H 1 4.32 . . 1 . . . . . . . . . 4494 1 30 . 1 1 5 5 MET HB2 H 1 2.06 . . 2 . . . . . . . . . 4494 1 31 . 1 1 5 5 MET HB3 H 1 2.02 . . 2 . . . . . . . . . 4494 1 32 . 1 1 5 5 MET HG2 H 1 2.61 . . 2 . . . . . . . . . 4494 1 33 . 1 1 5 5 MET HG3 H 1 2.52 . . 2 . . . . . . . . . 4494 1 34 . 1 1 5 5 MET HE1 H 1 1.90 . . 1 . . . . . . . . . 4494 1 35 . 1 1 5 5 MET HE2 H 1 1.90 . . 1 . . . . . . . . . 4494 1 36 . 1 1 5 5 MET HE3 H 1 1.90 . . 1 . . . . . . . . . 4494 1 37 . 1 1 6 6 PRO HA H 1 4.45 . . 1 . . . . . . . . . 4494 1 38 . 1 1 6 6 PRO HB2 H 1 2.17 . . 2 . . . . . . . . . 4494 1 39 . 1 1 6 6 PRO HG2 H 1 1.94 . . 2 . . . . . . . . . 4494 1 40 . 1 1 6 6 PRO HG3 H 1 1.89 . . 2 . . . . . . . . . 4494 1 41 . 1 1 6 6 PRO HD2 H 1 3.75 . . 2 . . . . . . . . . 4494 1 42 . 1 1 6 6 PRO HD3 H 1 3.63 . . 2 . . . . . . . . . 4494 1 43 . 1 1 7 7 LEU N N 15 122.1 . . 1 . . . . . . . . . 4494 1 44 . 1 1 7 7 LEU H H 1 8.22 . . 1 . . . . . . . . . 4494 1 45 . 1 1 7 7 LEU HA H 1 4.33 . . 1 . . . . . . . . . 4494 1 46 . 1 1 7 7 LEU HB2 H 1 1.80 . . 2 . . . . . . . . . 4494 1 47 . 1 1 7 7 LEU HG H 1 1.84 . . 1 . . . . . . . . . 4494 1 48 . 1 1 7 7 LEU HD11 H 1 1.41 . . 2 . . . . . . . . . 4494 1 49 . 1 1 7 7 LEU HD12 H 1 1.41 . . 2 . . . . . . . . . 4494 1 50 . 1 1 7 7 LEU HD13 H 1 1.41 . . 2 . . . . . . . . . 4494 1 51 . 1 1 8 8 SER N N 15 119.3 . . 1 . . . . . . . . . 4494 1 52 . 1 1 8 8 SER H H 1 8.23 . . 1 . . . . . . . . . 4494 1 53 . 1 1 8 8 SER HA H 1 4.50 . . 1 . . . . . . . . . 4494 1 54 . 1 1 8 8 SER HB2 H 1 3.99 . . 2 . . . . . . . . . 4494 1 55 . 1 1 8 8 SER HB3 H 1 3.90 . . 2 . . . . . . . . . 4494 1 56 . 1 1 9 9 SER N N 15 119.5 . . 1 . . . . . . . . . 4494 1 57 . 1 1 9 9 SER H H 1 8.31 . . 1 . . . . . . . . . 4494 1 58 . 1 1 9 9 SER HA H 1 4.43 . . 1 . . . . . . . . . 4494 1 59 . 1 1 9 9 SER HB2 H 1 3.95 . . 2 . . . . . . . . . 4494 1 60 . 1 1 9 9 SER HB3 H 1 3.90 . . 2 . . . . . . . . . 4494 1 61 . 1 1 10 10 LEU N N 15 129.2 . . 1 . . . . . . . . . 4494 1 62 . 1 1 10 10 LEU H H 1 7.92 . . 1 . . . . . . . . . 4494 1 63 . 1 1 10 10 LEU HA H 1 4.29 . . 1 . . . . . . . . . 4494 1 64 . 1 1 10 10 LEU HB2 H 1 1.61 . . 2 . . . . . . . . . 4494 1 65 . 1 1 10 10 LEU HG H 1 1.38 . . 1 . . . . . . . . . 4494 1 66 . 1 1 10 10 LEU HD11 H 1 0.92 . . 2 . . . . . . . . . 4494 1 67 . 1 1 10 10 LEU HD12 H 1 0.92 . . 2 . . . . . . . . . 4494 1 68 . 1 1 10 10 LEU HD13 H 1 0.92 . . 2 . . . . . . . . . 4494 1 69 . 1 1 10 10 LEU HD21 H 1 0.87 . . 2 . . . . . . . . . 4494 1 70 . 1 1 10 10 LEU HD22 H 1 0.87 . . 2 . . . . . . . . . 4494 1 71 . 1 1 10 10 LEU HD23 H 1 0.87 . . 2 . . . . . . . . . 4494 1 72 . 1 1 11 11 PHE N N 15 119.7 . . 1 . . . . . . . . . 4494 1 73 . 1 1 11 11 PHE H H 1 8.35 . . 1 . . . . . . . . . 4494 1 74 . 1 1 11 11 PHE HA H 1 5.04 . . 1 . . . . . . . . . 4494 1 75 . 1 1 11 11 PHE HB2 H 1 3.06 . . 2 . . . . . . . . . 4494 1 76 . 1 1 11 11 PHE HB3 H 1 2.69 . . 2 . . . . . . . . . 4494 1 77 . 1 1 11 11 PHE HD2 H 1 7.22 . . 2 . . . . . . . . . 4494 1 78 . 1 1 11 11 PHE HE2 H 1 7.00 . . 2 . . . . . . . . . 4494 1 79 . 1 1 12 12 VAL N N 15 121.6 . . 1 . . . . . . . . . 4494 1 80 . 1 1 12 12 VAL H H 1 7.40 . . 1 . . . . . . . . . 4494 1 81 . 1 1 12 12 VAL HA H 1 4.05 . . 1 . . . . . . . . . 4494 1 82 . 1 1 12 12 VAL HB H 1 2.19 . . 1 . . . . . . . . . 4494 1 83 . 1 1 12 12 VAL HG11 H 1 1.04 . . 2 . . . . . . . . . 4494 1 84 . 1 1 12 12 VAL HG12 H 1 1.04 . . 2 . . . . . . . . . 4494 1 85 . 1 1 12 12 VAL HG13 H 1 1.04 . . 2 . . . . . . . . . 4494 1 86 . 1 1 12 12 VAL HG21 H 1 1.00 . . 2 . . . . . . . . . 4494 1 87 . 1 1 12 12 VAL HG22 H 1 1.00 . . 2 . . . . . . . . . 4494 1 88 . 1 1 12 12 VAL HG23 H 1 1.00 . . 2 . . . . . . . . . 4494 1 89 . 1 1 13 13 ASN N N 15 124.3 . . 1 . . . . . . . . . 4494 1 90 . 1 1 13 13 ASN H H 1 8.49 . . 1 . . . . . . . . . 4494 1 91 . 1 1 13 13 ASN HA H 1 4.15 . . 1 . . . . . . . . . 4494 1 92 . 1 1 13 13 ASN HB2 H 1 2.86 . . 2 . . . . . . . . . 4494 1 93 . 1 1 13 13 ASN HB3 H 1 2.74 . . 2 . . . . . . . . . 4494 1 94 . 1 1 14 14 GLY N N 15 110.9 . . 1 . . . . . . . . . 4494 1 95 . 1 1 14 14 GLY H H 1 8.13 . . 1 . . . . . . . . . 4494 1 96 . 1 1 14 14 GLY HA3 H 1 4.05 . . 2 . . . . . . . . . 4494 1 97 . 1 1 14 14 GLY HA2 H 1 3.64 . . 2 . . . . . . . . . 4494 1 98 . 1 1 15 15 PRO HA H 1 4.39 . . 1 . . . . . . . . . 4494 1 99 . 1 1 15 15 PRO HB2 H 1 2.31 . . 2 . . . . . . . . . 4494 1 100 . 1 1 15 15 PRO HG2 H 1 2.05 . . 2 . . . . . . . . . 4494 1 101 . 1 1 15 15 PRO HD2 H 1 3.79 . . 2 . . . . . . . . . 4494 1 102 . 1 1 15 15 PRO HD3 H 1 3.76 . . 2 . . . . . . . . . 4494 1 103 . 1 1 16 16 ARG N N 15 119.3 . . 1 . . . . . . . . . 4494 1 104 . 1 1 16 16 ARG H H 1 8.56 . . 1 . . . . . . . . . 4494 1 105 . 1 1 16 16 ARG HA H 1 4.51 . . 1 . . . . . . . . . 4494 1 106 . 1 1 16 16 ARG HB2 H 1 2.07 . . 2 . . . . . . . . . 4494 1 107 . 1 1 16 16 ARG HB3 H 1 1.80 . . 2 . . . . . . . . . 4494 1 108 . 1 1 16 16 ARG HG2 H 1 1.92 . . 2 . . . . . . . . . 4494 1 109 . 1 1 16 16 ARG HG3 H 1 1.51 . . 2 . . . . . . . . . 4494 1 110 . 1 1 16 16 ARG HD2 H 1 3.66 . . 2 . . . . . . . . . 4494 1 111 . 1 1 16 16 ARG HD3 H 1 3.62 . . 2 . . . . . . . . . 4494 1 112 . 1 1 16 16 ARG HE H 1 7.21 . . 2 . . . . . . . . . 4494 1 113 . 1 1 17 17 THR N N 15 115.3 . . 1 . . . . . . . . . 4494 1 114 . 1 1 17 17 THR H H 1 8.07 . . 1 . . . . . . . . . 4494 1 115 . 1 1 17 17 THR HA H 1 4.42 . . 1 . . . . . . . . . 4494 1 116 . 1 1 17 17 THR HB H 1 4.30 . . 1 . . . . . . . . . 4494 1 117 . 1 1 17 17 THR HG21 H 1 1.25 . . 1 . . . . . . . . . 4494 1 118 . 1 1 17 17 THR HG22 H 1 1.25 . . 1 . . . . . . . . . 4494 1 119 . 1 1 17 17 THR HG23 H 1 1.25 . . 1 . . . . . . . . . 4494 1 120 . 1 1 18 18 LEU N N 15 123.7 . . 1 . . . . . . . . . 4494 1 121 . 1 1 18 18 LEU H H 1 8.31 . . 1 . . . . . . . . . 4494 1 122 . 1 1 18 18 LEU HA H 1 4.23 . . 1 . . . . . . . . . 4494 1 123 . 1 1 18 18 LEU HB2 H 1 1.58 . . 2 . . . . . . . . . 4494 1 124 . 1 1 18 18 LEU HG H 1 1.61 . . 1 . . . . . . . . . 4494 1 125 . 1 1 18 18 LEU HD11 H 1 0.95 . . 2 . . . . . . . . . 4494 1 126 . 1 1 18 18 LEU HD12 H 1 0.95 . . 2 . . . . . . . . . 4494 1 127 . 1 1 18 18 LEU HD13 H 1 0.95 . . 2 . . . . . . . . . 4494 1 128 . 1 1 18 18 LEU HD21 H 1 0.91 . . 2 . . . . . . . . . 4494 1 129 . 1 1 18 18 LEU HD22 H 1 0.91 . . 2 . . . . . . . . . 4494 1 130 . 1 1 18 18 LEU HD23 H 1 0.91 . . 2 . . . . . . . . . 4494 1 131 . 1 1 19 19 CYS N N 15 119.7 . . 1 . . . . . . . . . 4494 1 132 . 1 1 19 19 CYS H H 1 8.38 . . 1 . . . . . . . . . 4494 1 133 . 1 1 19 19 CYS HA H 1 4.58 . . 1 . . . . . . . . . 4494 1 134 . 1 1 19 19 CYS HB2 H 1 3.15 . . 2 . . . . . . . . . 4494 1 135 . 1 1 19 19 CYS HB3 H 1 2.88 . . 2 . . . . . . . . . 4494 1 136 . 1 1 20 20 GLY N N 15 110.0 . . 1 . . . . . . . . . 4494 1 137 . 1 1 20 20 GLY H H 1 7.74 . . 1 . . . . . . . . . 4494 1 138 . 1 1 20 20 GLY HA3 H 1 3.99 . . 2 . . . . . . . . . 4494 1 139 . 1 1 20 20 GLY HA2 H 1 3.70 . . 2 . . . . . . . . . 4494 1 140 . 1 1 21 21 ALA N N 15 130.3 . . 1 . . . . . . . . . 4494 1 141 . 1 1 21 21 ALA H H 1 8.98 . . 1 . . . . . . . . . 4494 1 142 . 1 1 21 21 ALA HA H 1 3.92 . . 1 . . . . . . . . . 4494 1 143 . 1 1 21 21 ALA HB1 H 1 1.44 . . 1 . . . . . . . . . 4494 1 144 . 1 1 21 21 ALA HB2 H 1 1.44 . . 1 . . . . . . . . . 4494 1 145 . 1 1 21 21 ALA HB3 H 1 1.44 . . 1 . . . . . . . . . 4494 1 146 . 1 1 22 22 GLU N N 15 118.1 . . 1 . . . . . . . . . 4494 1 147 . 1 1 22 22 GLU H H 1 8.00 . . 1 . . . . . . . . . 4494 1 148 . 1 1 22 22 GLU HA H 1 4.04 . . 1 . . . . . . . . . 4494 1 149 . 1 1 22 22 GLU HB2 H 1 2.26 . . 2 . . . . . . . . . 4494 1 150 . 1 1 22 22 GLU HB3 H 1 2.07 . . 2 . . . . . . . . . 4494 1 151 . 1 1 22 22 GLU HG2 H 1 2.78 . . 2 . . . . . . . . . 4494 1 152 . 1 1 22 22 GLU HG3 H 1 2.52 . . 2 . . . . . . . . . 4494 1 153 . 1 1 23 23 LEU N N 15 121.7 . . 1 . . . . . . . . . 4494 1 154 . 1 1 23 23 LEU H H 1 6.88 . . 1 . . . . . . . . . 4494 1 155 . 1 1 23 23 LEU HA H 1 3.90 . . 1 . . . . . . . . . 4494 1 156 . 1 1 23 23 LEU HB2 H 1 1.89 . . 2 . . . . . . . . . 4494 1 157 . 1 1 23 23 LEU HG H 1 2.07 . . 1 . . . . . . . . . 4494 1 158 . 1 1 23 23 LEU HD11 H 1 1.05 . . 2 . . . . . . . . . 4494 1 159 . 1 1 23 23 LEU HD12 H 1 1.05 . . 2 . . . . . . . . . 4494 1 160 . 1 1 23 23 LEU HD13 H 1 1.05 . . 2 . . . . . . . . . 4494 1 161 . 1 1 23 23 LEU HD21 H 1 0.76 . . 2 . . . . . . . . . 4494 1 162 . 1 1 23 23 LEU HD22 H 1 0.76 . . 2 . . . . . . . . . 4494 1 163 . 1 1 23 23 LEU HD23 H 1 0.76 . . 2 . . . . . . . . . 4494 1 164 . 1 1 24 24 VAL N N 15 119.3 . . 1 . . . . . . . . . 4494 1 165 . 1 1 24 24 VAL H H 1 7.29 . . 1 . . . . . . . . . 4494 1 166 . 1 1 24 24 VAL HA H 1 3.28 . . 1 . . . . . . . . . 4494 1 167 . 1 1 24 24 VAL HB H 1 2.10 . . 1 . . . . . . . . . 4494 1 168 . 1 1 24 24 VAL HG11 H 1 0.99 . . 2 . . . . . . . . . 4494 1 169 . 1 1 24 24 VAL HG12 H 1 0.99 . . 2 . . . . . . . . . 4494 1 170 . 1 1 24 24 VAL HG13 H 1 0.99 . . 2 . . . . . . . . . 4494 1 171 . 1 1 25 25 ASP N N 15 128.1 . . 1 . . . . . . . . . 4494 1 172 . 1 1 25 25 ASP H H 1 8.09 . . 1 . . . . . . . . . 4494 1 173 . 1 1 25 25 ASP HA H 1 4.49 . . 1 . . . . . . . . . 4494 1 174 . 1 1 25 25 ASP HB2 H 1 2.82 . . 2 . . . . . . . . . 4494 1 175 . 1 1 25 25 ASP HB3 H 1 2.71 . . 2 . . . . . . . . . 4494 1 176 . 1 1 26 26 ALA N N 15 124.1 . . 1 . . . . . . . . . 4494 1 177 . 1 1 26 26 ALA H H 1 7.92 . . 1 . . . . . . . . . 4494 1 178 . 1 1 26 26 ALA HA H 1 4.07 . . 1 . . . . . . . . . 4494 1 179 . 1 1 26 26 ALA HB1 H 1 1.44 . . 1 . . . . . . . . . 4494 1 180 . 1 1 26 26 ALA HB2 H 1 1.44 . . 1 . . . . . . . . . 4494 1 181 . 1 1 26 26 ALA HB3 H 1 1.44 . . 1 . . . . . . . . . 4494 1 182 . 1 1 27 27 LEU N N 15 120.5 . . 1 . . . . . . . . . 4494 1 183 . 1 1 27 27 LEU H H 1 8.11 . . 1 . . . . . . . . . 4494 1 184 . 1 1 27 27 LEU HA H 1 3.76 . . 1 . . . . . . . . . 4494 1 185 . 1 1 27 27 LEU HB2 H 1 1.14 . . 2 . . . . . . . . . 4494 1 186 . 1 1 27 27 LEU HG H 1 1.32 . . 1 . . . . . . . . . 4494 1 187 . 1 1 27 27 LEU HD11 H 1 0.64 . . 2 . . . . . . . . . 4494 1 188 . 1 1 27 27 LEU HD12 H 1 0.64 . . 2 . . . . . . . . . 4494 1 189 . 1 1 27 27 LEU HD13 H 1 0.64 . . 2 . . . . . . . . . 4494 1 190 . 1 1 27 27 LEU HD21 H 1 0.39 . . 2 . . . . . . . . . 4494 1 191 . 1 1 27 27 LEU HD22 H 1 0.39 . . 2 . . . . . . . . . 4494 1 192 . 1 1 27 27 LEU HD23 H 1 0.39 . . 2 . . . . . . . . . 4494 1 193 . 1 1 28 28 GLN N N 15 119.9 . . 1 . . . . . . . . . 4494 1 194 . 1 1 28 28 GLN H H 1 8.34 . . 1 . . . . . . . . . 4494 1 195 . 1 1 28 28 GLN HA H 1 4.14 . . 1 . . . . . . . . . 4494 1 196 . 1 1 28 28 GLN HB2 H 1 2.29 . . 2 . . . . . . . . . 4494 1 197 . 1 1 28 28 GLN HB3 H 1 2.10 . . 2 . . . . . . . . . 4494 1 198 . 1 1 28 28 GLN HG2 H 1 2.62 . . 2 . . . . . . . . . 4494 1 199 . 1 1 28 28 GLN HG3 H 1 2.47 . . 2 . . . . . . . . . 4494 1 200 . 1 1 28 28 GLN HE21 H 1 7.29 . . 2 . . . . . . . . . 4494 1 201 . 1 1 28 28 GLN HE22 H 1 6.77 . . 2 . . . . . . . . . 4494 1 202 . 1 1 29 29 PHE N N 15 120.6 . . 1 . . . . . . . . . 4494 1 203 . 1 1 29 29 PHE H H 1 7.84 . . 1 . . . . . . . . . 4494 1 204 . 1 1 29 29 PHE HA H 1 4.08 . . 1 . . . . . . . . . 4494 1 205 . 1 1 29 29 PHE HB2 H 1 3.29 . . 2 . . . . . . . . . 4494 1 206 . 1 1 29 29 PHE HB3 H 1 3.24 . . 2 . . . . . . . . . 4494 1 207 . 1 1 29 29 PHE HD1 H 1 7.13 . . 3 . . . . . . . . . 4494 1 208 . 1 1 29 29 PHE HE1 H 1 7.25 . . 3 . . . . . . . . . 4494 1 209 . 1 1 30 30 VAL N N 15 119.2 . . 1 . . . . . . . . . 4494 1 210 . 1 1 30 30 VAL H H 1 8.70 . . 1 . . . . . . . . . 4494 1 211 . 1 1 30 30 VAL HA H 1 3.61 . . 1 . . . . . . . . . 4494 1 212 . 1 1 30 30 VAL HB H 1 2.10 . . 1 . . . . . . . . . 4494 1 213 . 1 1 30 30 VAL HG11 H 1 1.15 . . 2 . . . . . . . . . 4494 1 214 . 1 1 30 30 VAL HG12 H 1 1.15 . . 2 . . . . . . . . . 4494 1 215 . 1 1 30 30 VAL HG13 H 1 1.15 . . 2 . . . . . . . . . 4494 1 216 . 1 1 30 30 VAL HG21 H 1 0.99 . . 2 . . . . . . . . . 4494 1 217 . 1 1 30 30 VAL HG22 H 1 0.99 . . 2 . . . . . . . . . 4494 1 218 . 1 1 30 30 VAL HG23 H 1 0.99 . . 2 . . . . . . . . . 4494 1 219 . 1 1 31 31 CYS N N 15 117.1 . . 1 . . . . . . . . . 4494 1 220 . 1 1 31 31 CYS H H 1 8.67 . . 1 . . . . . . . . . 4494 1 221 . 1 1 31 31 CYS HA H 1 4.81 . . 1 . . . . . . . . . 4494 1 222 . 1 1 31 31 CYS HB2 H 1 3.34 . . 2 . . . . . . . . . 4494 1 223 . 1 1 31 31 CYS HB3 H 1 2.91 . . 2 . . . . . . . . . 4494 1 224 . 1 1 32 32 GLY N N 15 110.4 . . 1 . . . . . . . . . 4494 1 225 . 1 1 32 32 GLY H H 1 7.72 . . 1 . . . . . . . . . 4494 1 226 . 1 1 32 32 GLY HA2 H 1 3.99 . . 2 . . . . . . . . . 4494 1 227 . 1 1 33 33 ASP N N 15 125.3 . . 1 . . . . . . . . . 4494 1 228 . 1 1 33 33 ASP H H 1 8.85 . . 1 . . . . . . . . . 4494 1 229 . 1 1 33 33 ASP HA H 1 4.51 . . 1 . . . . . . . . . 4494 1 230 . 1 1 33 33 ASP HB2 H 1 2.87 . . 2 . . . . . . . . . 4494 1 231 . 1 1 33 33 ASP HB3 H 1 2.82 . . 2 . . . . . . . . . 4494 1 232 . 1 1 34 34 ARG N N 15 119.7 . . 1 . . . . . . . . . 4494 1 233 . 1 1 34 34 ARG H H 1 8.11 . . 1 . . . . . . . . . 4494 1 234 . 1 1 34 34 ARG HA H 1 4.17 . . 1 . . . . . . . . . 4494 1 235 . 1 1 34 34 ARG HB2 H 1 2.07 . . 2 . . . . . . . . . 4494 1 236 . 1 1 34 34 ARG HB3 H 1 2.02 . . 2 . . . . . . . . . 4494 1 237 . 1 1 34 34 ARG HG2 H 1 1.89 . . 2 . . . . . . . . . 4494 1 238 . 1 1 34 34 ARG HG3 H 1 1.79 . . 2 . . . . . . . . . 4494 1 239 . 1 1 34 34 ARG HD2 H 1 3.33 . . 2 . . . . . . . . . 4494 1 240 . 1 1 34 34 ARG HE H 1 7.14 . . 1 . . . . . . . . . 4494 1 241 . 1 1 35 35 GLY N N 15 105.0 . . 1 . . . . . . . . . 4494 1 242 . 1 1 35 35 GLY H H 1 7.38 . . 1 . . . . . . . . . 4494 1 243 . 1 1 35 35 GLY HA3 H 1 4.04 . . 2 . . . . . . . . . 4494 1 244 . 1 1 35 35 GLY HA2 H 1 3.76 . . 2 . . . . . . . . . 4494 1 245 . 1 1 36 36 PHE N N 15 115.2 . . 1 . . . . . . . . . 4494 1 246 . 1 1 36 36 PHE H H 1 7.53 . . 1 . . . . . . . . . 4494 1 247 . 1 1 36 36 PHE HA H 1 5.18 . . 1 . . . . . . . . . 4494 1 248 . 1 1 36 36 PHE HB2 H 1 3.24 . . 2 . . . . . . . . . 4494 1 249 . 1 1 36 36 PHE HB3 H 1 2.91 . . 2 . . . . . . . . . 4494 1 250 . 1 1 36 36 PHE HD2 H 1 6.79 . . 3 . . . . . . . . . 4494 1 251 . 1 1 36 36 PHE HE2 H 1 6.81 . . 3 . . . . . . . . . 4494 1 252 . 1 1 37 37 TYR N N 15 120.7 . . 1 . . . . . . . . . 4494 1 253 . 1 1 37 37 TYR H H 1 8.66 . . 1 . . . . . . . . . 4494 1 254 . 1 1 37 37 TYR HA H 1 4.82 . . 1 . . . . . . . . . 4494 1 255 . 1 1 37 37 TYR HB2 H 1 3.21 . . 2 . . . . . . . . . 4494 1 256 . 1 1 37 37 TYR HB3 H 1 2.93 . . 2 . . . . . . . . . 4494 1 257 . 1 1 37 37 TYR HD2 H 1 7.13 . . 3 . . . . . . . . . 4494 1 258 . 1 1 37 37 TYR HE2 H 1 6.81 . . 3 . . . . . . . . . 4494 1 259 . 1 1 38 38 PHE N N 15 119.6 . . 1 . . . . . . . . . 4494 1 260 . 1 1 38 38 PHE H H 1 8.48 . . 1 . . . . . . . . . 4494 1 261 . 1 1 38 38 PHE HA H 1 4.79 . . 1 . . . . . . . . . 4494 1 262 . 1 1 38 38 PHE HB2 H 1 3.21 . . 2 . . . . . . . . . 4494 1 263 . 1 1 38 38 PHE HB3 H 1 3.02 . . 2 . . . . . . . . . 4494 1 264 . 1 1 38 38 PHE HD2 H 1 7.22 . . 3 . . . . . . . . . 4494 1 265 . 1 1 38 38 PHE HE2 H 1 7.00 . . 3 . . . . . . . . . 4494 1 266 . 1 1 39 39 ASN N N 15 119.8 . . 1 . . . . . . . . . 4494 1 267 . 1 1 39 39 ASN H H 1 8.18 . . 1 . . . . . . . . . 4494 1 268 . 1 1 39 39 ASN HA H 1 5.00 . . 1 . . . . . . . . . 4494 1 269 . 1 1 39 39 ASN HB2 H 1 2.86 . . 2 . . . . . . . . . 4494 1 270 . 1 1 39 39 ASN HB3 H 1 2.71 . . 2 . . . . . . . . . 4494 1 271 . 1 1 39 39 ASN HD21 H 1 7.54 . . 2 . . . . . . . . . 4494 1 272 . 1 1 39 39 ASN HD22 H 1 6.90 . . 2 . . . . . . . . . 4494 1 273 . 1 1 40 40 LYS N N 15 123.9 . . 1 . . . . . . . . . 4494 1 274 . 1 1 40 40 LYS H H 1 8.43 . . 1 . . . . . . . . . 4494 1 275 . 1 1 40 40 LYS HA H 1 4.44 . . 1 . . . . . . . . . 4494 1 276 . 1 1 40 40 LYS HB2 H 1 1.74 . . 2 . . . . . . . . . 4494 1 277 . 1 1 40 40 LYS HB3 H 1 1.70 . . 2 . . . . . . . . . 4494 1 278 . 1 1 40 40 LYS HG2 H 1 1.37 . . 4 . . . . . . . . . 4494 1 279 . 1 1 40 40 LYS HD2 H 1 1.65 . . 4 . . . . . . . . . 4494 1 280 . 1 1 40 40 LYS HE2 H 1 2.83 . . 2 . . . . . . . . . 4494 1 281 . 1 1 40 40 LYS HE3 H 1 2.73 . . 2 . . . . . . . . . 4494 1 282 . 1 1 41 41 PRO HA H 1 4.42 . . 1 . . . . . . . . . 4494 1 283 . 1 1 41 41 PRO HB2 H 1 2.25 . . 2 . . . . . . . . . 4494 1 284 . 1 1 41 41 PRO HG2 H 1 1.93 . . 2 . . . . . . . . . 4494 1 285 . 1 1 41 41 PRO HG3 H 1 1.92 . . 2 . . . . . . . . . 4494 1 286 . 1 1 41 41 PRO HD2 H 1 3.71 . . 2 . . . . . . . . . 4494 1 287 . 1 1 41 41 PRO HD3 H 1 3.59 . . 2 . . . . . . . . . 4494 1 288 . 1 1 42 42 THR N N 15 115.3 . . 1 . . . . . . . . . 4494 1 289 . 1 1 42 42 THR H H 1 8.15 . . 1 . . . . . . . . . 4494 1 290 . 1 1 42 42 THR HA H 1 4.21 . . 1 . . . . . . . . . 4494 1 291 . 1 1 42 42 THR HB H 1 4.32 . . 1 . . . . . . . . . 4494 1 292 . 1 1 42 42 THR HG21 H 1 1.21 . . 1 . . . . . . . . . 4494 1 293 . 1 1 42 42 THR HG22 H 1 1.21 . . 1 . . . . . . . . . 4494 1 294 . 1 1 42 42 THR HG23 H 1 1.21 . . 1 . . . . . . . . . 4494 1 295 . 1 1 43 43 GLY N N 15 111.8 . . 1 . . . . . . . . . 4494 1 296 . 1 1 43 43 GLY H H 1 8.30 . . 1 . . . . . . . . . 4494 1 297 . 1 1 43 43 GLY HA3 H 1 3.95 . . 2 . . . . . . . . . 4494 1 298 . 1 1 43 43 GLY HA2 H 1 3.90 . . 2 . . . . . . . . . 4494 1 299 . 1 1 44 44 TYR N N 15 121.6 . . 1 . . . . . . . . . 4494 1 300 . 1 1 44 44 TYR H H 1 8.11 . . 1 . . . . . . . . . 4494 1 301 . 1 1 44 44 TYR HA H 1 4.54 . . 1 . . . . . . . . . 4494 1 302 . 1 1 44 44 TYR HB2 H 1 3.06 . . 2 . . . . . . . . . 4494 1 303 . 1 1 44 44 TYR HB3 H 1 2.93 . . 2 . . . . . . . . . 4494 1 304 . 1 1 44 44 TYR HD1 H 1 7.39 . . 3 . . . . . . . . . 4494 1 305 . 1 1 44 44 TYR HE1 H 1 6.75 . . 3 . . . . . . . . . 4494 1 306 . 1 1 45 45 GLY N N 15 112.5 . . 1 . . . . . . . . . 4494 1 307 . 1 1 45 45 GLY H H 1 8.39 . . 1 . . . . . . . . . 4494 1 308 . 1 1 45 45 GLY HA3 H 1 3.99 . . 2 . . . . . . . . . 4494 1 309 . 1 1 45 45 GLY HA2 H 1 3.87 . . 2 . . . . . . . . . 4494 1 310 . 1 1 46 46 SER N N 15 117.2 . . 1 . . . . . . . . . 4494 1 311 . 1 1 46 46 SER H H 1 8.20 . . 1 . . . . . . . . . 4494 1 312 . 1 1 46 46 SER HA H 1 4.46 . . 1 . . . . . . . . . 4494 1 313 . 1 1 46 46 SER HB2 H 1 3.94 . . 2 . . . . . . . . . 4494 1 314 . 1 1 46 46 SER HB3 H 1 3.85 . . 2 . . . . . . . . . 4494 1 315 . 1 1 47 47 SER N N 15 118.6 . . 1 . . . . . . . . . 4494 1 316 . 1 1 47 47 SER H H 1 8.19 . . 1 . . . . . . . . . 4494 1 317 . 1 1 47 47 SER HA H 1 4.43 . . 1 . . . . . . . . . 4494 1 318 . 1 1 47 47 SER HB2 H 1 3.90 . . 2 . . . . . . . . . 4494 1 319 . 1 1 47 47 SER HB3 H 1 3.84 . . 2 . . . . . . . . . 4494 1 320 . 1 1 48 48 SER N N 15 118.8 . . 1 . . . . . . . . . 4494 1 321 . 1 1 48 48 SER H H 1 8.38 . . 1 . . . . . . . . . 4494 1 322 . 1 1 48 48 SER HA H 1 4.48 . . 1 . . . . . . . . . 4494 1 323 . 1 1 48 48 SER HB2 H 1 3.98 . . 2 . . . . . . . . . 4494 1 324 . 1 1 48 48 SER HB3 H 1 3.97 . . 2 . . . . . . . . . 4494 1 325 . 1 1 49 49 ARG N N 15 123.7 . . 1 . . . . . . . . . 4494 1 326 . 1 1 49 49 ARG H H 1 8.16 . . 1 . . . . . . . . . 4494 1 327 . 1 1 49 49 ARG HA H 1 4.33 . . 1 . . . . . . . . . 4494 1 328 . 1 1 49 49 ARG HB2 H 1 1.87 . . 2 . . . . . . . . . 4494 1 329 . 1 1 49 49 ARG HB3 H 1 1.85 . . 2 . . . . . . . . . 4494 1 330 . 1 1 49 49 ARG HG2 H 1 1.75 . . 2 . . . . . . . . . 4494 1 331 . 1 1 49 49 ARG HG3 H 1 1.54 . . 2 . . . . . . . . . 4494 1 332 . 1 1 49 49 ARG HD2 H 1 3.17 . . 2 . . . . . . . . . 4494 1 333 . 1 1 50 50 ARG N N 15 122.6 . . 1 . . . . . . . . . 4494 1 334 . 1 1 50 50 ARG H H 1 8.15 . . 1 . . . . . . . . . 4494 1 335 . 1 1 50 50 ARG HA H 1 4.31 . . 1 . . . . . . . . . 4494 1 336 . 1 1 50 50 ARG HB2 H 1 1.82 . . 2 . . . . . . . . . 4494 1 337 . 1 1 50 50 ARG HB3 H 1 1.81 . . 2 . . . . . . . . . 4494 1 338 . 1 1 50 50 ARG HG2 H 1 1.69 . . 2 . . . . . . . . . 4494 1 339 . 1 1 50 50 ARG HG3 H 1 1.58 . . 2 . . . . . . . . . 4494 1 340 . 1 1 50 50 ARG HD2 H 1 3.14 . . 2 . . . . . . . . . 4494 1 341 . 1 1 51 51 ALA N N 15 127.5 . . 1 . . . . . . . . . 4494 1 342 . 1 1 51 51 ALA H H 1 8.12 . . 1 . . . . . . . . . 4494 1 343 . 1 1 51 51 ALA HA H 1 4.57 . . 1 . . . . . . . . . 4494 1 344 . 1 1 51 51 ALA HB1 H 1 1.35 . . 1 . . . . . . . . . 4494 1 345 . 1 1 51 51 ALA HB2 H 1 1.35 . . 1 . . . . . . . . . 4494 1 346 . 1 1 51 51 ALA HB3 H 1 1.35 . . 1 . . . . . . . . . 4494 1 347 . 1 1 52 52 PRO HA H 1 4.39 . . 1 . . . . . . . . . 4494 1 348 . 1 1 52 52 PRO HB2 H 1 2.33 . . 2 . . . . . . . . . 4494 1 349 . 1 1 52 52 PRO HG2 H 1 2.04 . . 2 . . . . . . . . . 4494 1 350 . 1 1 52 52 PRO HG3 H 1 2.02 . . 2 . . . . . . . . . 4494 1 351 . 1 1 52 52 PRO HD2 H 1 3.74 . . 2 . . . . . . . . . 4494 1 352 . 1 1 52 52 PRO HD3 H 1 3.70 . . 2 . . . . . . . . . 4494 1 353 . 1 1 53 53 GLN N N 15 121.5 . . 1 . . . . . . . . . 4494 1 354 . 1 1 53 53 GLN H H 1 8.48 . . 1 . . . . . . . . . 4494 1 355 . 1 1 53 53 GLN HA H 1 4.40 . . 1 . . . . . . . . . 4494 1 356 . 1 1 53 53 GLN HB2 H 1 2.03 . . 2 . . . . . . . . . 4494 1 357 . 1 1 53 53 GLN HB3 H 1 1.99 . . 2 . . . . . . . . . 4494 1 358 . 1 1 53 53 GLN HG2 H 1 2.40 . . 2 . . . . . . . . . 4494 1 359 . 1 1 53 53 GLN HG3 H 1 2.26 . . 2 . . . . . . . . . 4494 1 360 . 1 1 53 53 GLN HE21 H 1 7.48 . . 2 . . . . . . . . . 4494 1 361 . 1 1 53 53 GLN HE22 H 1 6.81 . . 2 . . . . . . . . . 4494 1 362 . 1 1 54 54 THR N N 15 115.6 . . 1 . . . . . . . . . 4494 1 363 . 1 1 54 54 THR H H 1 8.09 . . 1 . . . . . . . . . 4494 1 364 . 1 1 54 54 THR HA H 1 4.44 . . 1 . . . . . . . . . 4494 1 365 . 1 1 54 54 THR HB H 1 4.29 . . 1 . . . . . . . . . 4494 1 366 . 1 1 54 54 THR HG21 H 1 1.25 . . 1 . . . . . . . . . 4494 1 367 . 1 1 54 54 THR HG22 H 1 1.25 . . 1 . . . . . . . . . 4494 1 368 . 1 1 54 54 THR HG23 H 1 1.25 . . 1 . . . . . . . . . 4494 1 369 . 1 1 55 55 GLY N N 15 113.2 . . 1 . . . . . . . . . 4494 1 370 . 1 1 55 55 GLY H H 1 8.60 . . 1 . . . . . . . . . 4494 1 371 . 1 1 55 55 GLY HA3 H 1 4.30 . . 2 . . . . . . . . . 4494 1 372 . 1 1 55 55 GLY HA2 H 1 4.16 . . 2 . . . . . . . . . 4494 1 373 . 1 1 56 56 ILE N N 15 122.4 . . 1 . . . . . . . . . 4494 1 374 . 1 1 56 56 ILE H H 1 7.89 . . 1 . . . . . . . . . 4494 1 375 . 1 1 56 56 ILE HA H 1 3.81 . . 1 . . . . . . . . . 4494 1 376 . 1 1 56 56 ILE HB H 1 1.11 . . 1 . . . . . . . . . 4494 1 377 . 1 1 56 56 ILE HG21 H 1 0.95 . . 3 . . . . . . . . . 4494 1 378 . 1 1 56 56 ILE HG22 H 1 0.95 . . 3 . . . . . . . . . 4494 1 379 . 1 1 56 56 ILE HG23 H 1 0.95 . . 3 . . . . . . . . . 4494 1 380 . 1 1 56 56 ILE HG12 H 1 0.72 . . 3 . . . . . . . . . 4494 1 381 . 1 1 56 56 ILE HD11 H 1 0.63 . . 3 . . . . . . . . . 4494 1 382 . 1 1 56 56 ILE HD12 H 1 0.63 . . 3 . . . . . . . . . 4494 1 383 . 1 1 56 56 ILE HD13 H 1 0.63 . . 3 . . . . . . . . . 4494 1 384 . 1 1 57 57 VAL N N 15 123.6 . . 1 . . . . . . . . . 4494 1 385 . 1 1 57 57 VAL H H 1 8.04 . . 1 . . . . . . . . . 4494 1 386 . 1 1 57 57 VAL HA H 1 3.55 . . 1 . . . . . . . . . 4494 1 387 . 1 1 57 57 VAL HB H 1 1.93 . . 1 . . . . . . . . . 4494 1 388 . 1 1 57 57 VAL HG11 H 1 0.91 . . 2 . . . . . . . . . 4494 1 389 . 1 1 57 57 VAL HG12 H 1 0.91 . . 2 . . . . . . . . . 4494 1 390 . 1 1 57 57 VAL HG13 H 1 0.91 . . 2 . . . . . . . . . 4494 1 391 . 1 1 57 57 VAL HG21 H 1 0.71 . . 2 . . . . . . . . . 4494 1 392 . 1 1 57 57 VAL HG22 H 1 0.71 . . 2 . . . . . . . . . 4494 1 393 . 1 1 57 57 VAL HG23 H 1 0.71 . . 2 . . . . . . . . . 4494 1 394 . 1 1 58 58 ASP N N 15 121.8 . . 1 . . . . . . . . . 4494 1 395 . 1 1 58 58 ASP H H 1 7.81 . . 1 . . . . . . . . . 4494 1 396 . 1 1 58 58 ASP HA H 1 4.44 . . 1 . . . . . . . . . 4494 1 397 . 1 1 58 58 ASP HB2 H 1 2.82 . . 2 . . . . . . . . . 4494 1 398 . 1 1 58 58 ASP HB3 H 1 2.78 . . 2 . . . . . . . . . 4494 1 399 . 1 1 59 59 GLU N N 15 119.9 . . 1 . . . . . . . . . 4494 1 400 . 1 1 59 59 GLU H H 1 8.24 . . 1 . . . . . . . . . 4494 1 401 . 1 1 59 59 GLU HA H 1 4.17 . . 1 . . . . . . . . . 4494 1 402 . 1 1 59 59 GLU HB2 H 1 2.06 . . 2 . . . . . . . . . 4494 1 403 . 1 1 59 59 GLU HB3 H 1 2.01 . . 2 . . . . . . . . . 4494 1 404 . 1 1 59 59 GLU HG2 H 1 1.88 . . 2 . . . . . . . . . 4494 1 405 . 1 1 59 59 GLU HG3 H 1 1.80 . . 2 . . . . . . . . . 4494 1 406 . 1 1 60 60 CYS N N 15 113.6 . . 1 . . . . . . . . . 4494 1 407 . 1 1 60 60 CYS H H 1 8.26 . . 1 . . . . . . . . . 4494 1 408 . 1 1 60 60 CYS HA H 1 5.04 . . 1 . . . . . . . . . 4494 1 409 . 1 1 60 60 CYS HB2 H 1 3.27 . . 2 . . . . . . . . . 4494 1 410 . 1 1 60 60 CYS HB3 H 1 3.03 . . 2 . . . . . . . . . 4494 1 411 . 1 1 61 61 CYS N N 15 117.2 . . 1 . . . . . . . . . 4494 1 412 . 1 1 61 61 CYS H H 1 7.36 . . 1 . . . . . . . . . 4494 1 413 . 1 1 61 61 CYS HA H 1 4.44 . . 1 . . . . . . . . . 4494 1 414 . 1 1 61 61 CYS HB2 H 1 3.18 . . 2 . . . . . . . . . 4494 1 415 . 1 1 61 61 CYS HB3 H 1 2.91 . . 2 . . . . . . . . . 4494 1 416 . 1 1 62 62 PHE N N 15 117.3 . . 1 . . . . . . . . . 4494 1 417 . 1 1 62 62 PHE H H 1 7.72 . . 1 . . . . . . . . . 4494 1 418 . 1 1 62 62 PHE HA H 1 4.69 . . 1 . . . . . . . . . 4494 1 419 . 1 1 62 62 PHE HB2 H 1 3.59 . . 2 . . . . . . . . . 4494 1 420 . 1 1 62 62 PHE HB3 H 1 3.43 . . 2 . . . . . . . . . 4494 1 421 . 1 1 62 62 PHE HD2 H 1 7.39 . . 3 . . . . . . . . . 4494 1 422 . 1 1 62 62 PHE HE2 H 1 7.23 . . 3 . . . . . . . . . 4494 1 423 . 1 1 63 63 ARG N N 15 119.9 . . 1 . . . . . . . . . 4494 1 424 . 1 1 63 63 ARG H H 1 7.53 . . 1 . . . . . . . . . 4494 1 425 . 1 1 63 63 ARG HA H 1 4.48 . . 1 . . . . . . . . . 4494 1 426 . 1 1 63 63 ARG HB2 H 1 1.93 . . 2 . . . . . . . . . 4494 1 427 . 1 1 63 63 ARG HG2 H 1 1.71 . . 2 . . . . . . . . . 4494 1 428 . 1 1 63 63 ARG HD2 H 1 3.22 . . 2 . . . . . . . . . 4494 1 429 . 1 1 63 63 ARG HE H 1 7.34 . . 1 . . . . . . . . . 4494 1 430 . 1 1 64 64 SER N N 15 113.3 . . 1 . . . . . . . . . 4494 1 431 . 1 1 64 64 SER H H 1 7.83 . . 1 . . . . . . . . . 4494 1 432 . 1 1 64 64 SER HA H 1 4.24 . . 1 . . . . . . . . . 4494 1 433 . 1 1 64 64 SER HB2 H 1 3.72 . . 2 . . . . . . . . . 4494 1 434 . 1 1 64 64 SER HB3 H 1 3.62 . . 2 . . . . . . . . . 4494 1 435 . 1 1 65 65 CYS N N 15 117.7 . . 1 . . . . . . . . . 4494 1 436 . 1 1 65 65 CYS H H 1 8.01 . . 1 . . . . . . . . . 4494 1 437 . 1 1 65 65 CYS HA H 1 4.70 . . 1 . . . . . . . . . 4494 1 438 . 1 1 65 65 CYS HB2 H 1 3.56 . . 2 . . . . . . . . . 4494 1 439 . 1 1 65 65 CYS HB3 H 1 3.25 . . 2 . . . . . . . . . 4494 1 440 . 1 1 66 66 ASP N N 15 118.3 . . 1 . . . . . . . . . 4494 1 441 . 1 1 66 66 ASP H H 1 7.95 . . 1 . . . . . . . . . 4494 1 442 . 1 1 66 66 ASP HA H 1 4.23 . . 1 . . . . . . . . . 4494 1 443 . 1 1 66 66 ASP HB2 H 1 2.93 . . 2 . . . . . . . . . 4494 1 444 . 1 1 66 66 ASP HB3 H 1 2.78 . . 2 . . . . . . . . . 4494 1 445 . 1 1 67 67 LEU N N 15 123.6 . . 1 . . . . . . . . . 4494 1 446 . 1 1 67 67 LEU H H 1 7.59 . . 1 . . . . . . . . . 4494 1 447 . 1 1 67 67 LEU HA H 1 3.92 . . 1 . . . . . . . . . 4494 1 448 . 1 1 67 67 LEU HB2 H 1 1.36 . . 2 . . . . . . . . . 4494 1 449 . 1 1 67 67 LEU HG H 1 1.32 . . 1 . . . . . . . . . 4494 1 450 . 1 1 67 67 LEU HD11 H 1 0.90 . . 2 . . . . . . . . . 4494 1 451 . 1 1 67 67 LEU HD12 H 1 0.90 . . 2 . . . . . . . . . 4494 1 452 . 1 1 67 67 LEU HD13 H 1 0.90 . . 2 . . . . . . . . . 4494 1 453 . 1 1 67 67 LEU HD21 H 1 0.70 . . 2 . . . . . . . . . 4494 1 454 . 1 1 67 67 LEU HD22 H 1 0.70 . . 2 . . . . . . . . . 4494 1 455 . 1 1 67 67 LEU HD23 H 1 0.70 . . 2 . . . . . . . . . 4494 1 456 . 1 1 68 68 ARG N N 15 119.9 . . 1 . . . . . . . . . 4494 1 457 . 1 1 68 68 ARG H H 1 7.86 . . 1 . . . . . . . . . 4494 1 458 . 1 1 68 68 ARG HA H 1 4.16 . . 1 . . . . . . . . . 4494 1 459 . 1 1 68 68 ARG HB2 H 1 2.05 . . 2 . . . . . . . . . 4494 1 460 . 1 1 68 68 ARG HB3 H 1 1.85 . . 2 . . . . . . . . . 4494 1 461 . 1 1 68 68 ARG HG2 H 1 1.63 . . 2 . . . . . . . . . 4494 1 462 . 1 1 68 68 ARG HG3 H 1 1.54 . . 2 . . . . . . . . . 4494 1 463 . 1 1 68 68 ARG HD2 H 1 3.37 . . 2 . . . . . . . . . 4494 1 464 . 1 1 68 68 ARG HD3 H 1 3.22 . . 2 . . . . . . . . . 4494 1 465 . 1 1 69 69 ARG N N 15 117.7 . . 1 . . . . . . . . . 4494 1 466 . 1 1 69 69 ARG H H 1 7.80 . . 1 . . . . . . . . . 4494 1 467 . 1 1 69 69 ARG HA H 1 3.93 . . 1 . . . . . . . . . 4494 1 468 . 1 1 69 69 ARG HB2 H 1 1.83 . . 2 . . . . . . . . . 4494 1 469 . 1 1 69 69 ARG HB3 H 1 1.67 . . 2 . . . . . . . . . 4494 1 470 . 1 1 69 69 ARG HG2 H 1 1.61 . . 2 . . . . . . . . . 4494 1 471 . 1 1 69 69 ARG HG3 H 1 1.56 . . 2 . . . . . . . . . 4494 1 472 . 1 1 69 69 ARG HD2 H 1 3.16 . . 2 . . . . . . . . . 4494 1 473 . 1 1 69 69 ARG HD3 H 1 2.82 . . 2 . . . . . . . . . 4494 1 474 . 1 1 69 69 ARG HE H 1 7.32 . . 1 . . . . . . . . . 4494 1 475 . 1 1 70 70 LEU N N 15 124.3 . . 1 . . . . . . . . . 4494 1 476 . 1 1 70 70 LEU H H 1 8.30 . . 1 . . . . . . . . . 4494 1 477 . 1 1 70 70 LEU HA H 1 4.42 . . 1 . . . . . . . . . 4494 1 478 . 1 1 70 70 LEU HB2 H 1 1.46 . . 2 . . . . . . . . . 4494 1 479 . 1 1 70 70 LEU HG H 1 1.64 . . 1 . . . . . . . . . 4494 1 480 . 1 1 70 70 LEU HD11 H 1 0.85 . . 2 . . . . . . . . . 4494 1 481 . 1 1 70 70 LEU HD12 H 1 0.85 . . 2 . . . . . . . . . 4494 1 482 . 1 1 70 70 LEU HD13 H 1 0.85 . . 2 . . . . . . . . . 4494 1 483 . 1 1 70 70 LEU HD21 H 1 0.80 . . 2 . . . . . . . . . 4494 1 484 . 1 1 70 70 LEU HD22 H 1 0.80 . . 2 . . . . . . . . . 4494 1 485 . 1 1 70 70 LEU HD23 H 1 0.80 . . 2 . . . . . . . . . 4494 1 486 . 1 1 71 71 GLU N N 15 114.8 . . 1 . . . . . . . . . 4494 1 487 . 1 1 71 71 GLU H H 1 8.09 . . 1 . . . . . . . . . 4494 1 488 . 1 1 71 71 GLU HA H 1 4.20 . . 1 . . . . . . . . . 4494 1 489 . 1 1 71 71 GLU HB2 H 1 1.85 . . 2 . . . . . . . . . 4494 1 490 . 1 1 71 71 GLU HB3 H 1 1.53 . . 2 . . . . . . . . . 4494 1 491 . 1 1 71 71 GLU HG2 H 1 2.17 . . 2 . . . . . . . . . 4494 1 492 . 1 1 71 71 GLU HG3 H 1 2.07 . . 2 . . . . . . . . . 4494 1 493 . 1 1 72 72 MET N N 15 118.9 . . 1 . . . . . . . . . 4494 1 494 . 1 1 72 72 MET H H 1 7.61 . . 1 . . . . . . . . . 4494 1 495 . 1 1 72 72 MET HA H 1 4.21 . . 1 . . . . . . . . . 4494 1 496 . 1 1 72 72 MET HB2 H 1 2.16 . . 2 . . . . . . . . . 4494 1 497 . 1 1 72 72 MET HB3 H 1 1.99 . . 2 . . . . . . . . . 4494 1 498 . 1 1 72 72 MET HG2 H 1 2.84 . . 2 . . . . . . . . . 4494 1 499 . 1 1 72 72 MET HG3 H 1 2.58 . . 2 . . . . . . . . . 4494 1 500 . 1 1 72 72 MET HE1 H 1 1.64 . . 1 . . . . . . . . . 4494 1 501 . 1 1 72 72 MET HE2 H 1 1.64 . . 1 . . . . . . . . . 4494 1 502 . 1 1 72 72 MET HE3 H 1 1.64 . . 1 . . . . . . . . . 4494 1 503 . 1 1 73 73 TYR N N 15 117.0 . . 1 . . . . . . . . . 4494 1 504 . 1 1 73 73 TYR H H 1 7.98 . . 1 . . . . . . . . . 4494 1 505 . 1 1 73 73 TYR HA H 1 4.72 . . 1 . . . . . . . . . 4494 1 506 . 1 1 73 73 TYR HB2 H 1 2.82 . . 2 . . . . . . . . . 4494 1 507 . 1 1 73 73 TYR HB3 H 1 2.78 . . 2 . . . . . . . . . 4494 1 508 . 1 1 73 73 TYR HD2 H 1 7.37 . . 3 . . . . . . . . . 4494 1 509 . 1 1 73 73 TYR HE2 H 1 6.74 . . 3 . . . . . . . . . 4494 1 510 . 1 1 74 74 CYS N N 15 116.9 . . 1 . . . . . . . . . 4494 1 511 . 1 1 74 74 CYS H H 1 7.26 . . 1 . . . . . . . . . 4494 1 512 . 1 1 74 74 CYS HA H 1 5.15 . . 1 . . . . . . . . . 4494 1 513 . 1 1 74 74 CYS HB2 H 1 3.21 . . 2 . . . . . . . . . 4494 1 514 . 1 1 74 74 CYS HB3 H 1 2.94 . . 2 . . . . . . . . . 4494 1 515 . 1 1 75 75 ALA N N 15 128.6 . . 1 . . . . . . . . . 4494 1 516 . 1 1 75 75 ALA H H 1 8.35 . . 1 . . . . . . . . . 4494 1 517 . 1 1 75 75 ALA HA H 1 4.36 . . 1 . . . . . . . . . 4494 1 518 . 1 1 75 75 ALA HB1 H 1 1.22 . . 1 . . . . . . . . . 4494 1 519 . 1 1 75 75 ALA HB2 H 1 1.22 . . 1 . . . . . . . . . 4494 1 520 . 1 1 75 75 ALA HB3 H 1 1.22 . . 1 . . . . . . . . . 4494 1 521 . 1 1 76 76 PRO HA H 1 4.42 . . 1 . . . . . . . . . 4494 1 522 . 1 1 76 76 PRO HB2 H 1 2.27 . . 2 . . . . . . . . . 4494 1 523 . 1 1 76 76 PRO HG2 H 1 2.07 . . 2 . . . . . . . . . 4494 1 524 . 1 1 76 76 PRO HD2 H 1 3.84 . . 2 . . . . . . . . . 4494 1 525 . 1 1 76 76 PRO HD3 H 1 3.70 . . 2 . . . . . . . . . 4494 1 526 . 1 1 77 77 LEU N N 15 123.9 . . 1 . . . . . . . . . 4494 1 527 . 1 1 77 77 LEU H H 1 8.30 . . 1 . . . . . . . . . 4494 1 528 . 1 1 77 77 LEU HA H 1 4.42 . . 1 . . . . . . . . . 4494 1 529 . 1 1 77 77 LEU HB2 H 1 1.56 . . 2 . . . . . . . . . 4494 1 530 . 1 1 77 77 LEU HG H 1 1.87 . . 2 . . . . . . . . . 4494 1 531 . 1 1 77 77 LEU HD11 H 1 0.93 . . 2 . . . . . . . . . 4494 1 532 . 1 1 77 77 LEU HD12 H 1 0.93 . . 2 . . . . . . . . . 4494 1 533 . 1 1 77 77 LEU HD13 H 1 0.93 . . 2 . . . . . . . . . 4494 1 534 . 1 1 77 77 LEU HD21 H 1 0.83 . . 2 . . . . . . . . . 4494 1 535 . 1 1 77 77 LEU HD22 H 1 0.83 . . 2 . . . . . . . . . 4494 1 536 . 1 1 77 77 LEU HD23 H 1 0.83 . . 2 . . . . . . . . . 4494 1 537 . 1 1 78 78 LYS N N 15 125.5 . . 1 . . . . . . . . . 4494 1 538 . 1 1 78 78 LYS H H 1 8.34 . . 1 . . . . . . . . . 4494 1 539 . 1 1 78 78 LYS HA H 1 4.61 . . 1 . . . . . . . . . 4494 1 540 . 1 1 78 78 LYS HB2 H 1 1.75 . . 2 . . . . . . . . . 4494 1 541 . 1 1 78 78 LYS HB3 H 1 1.60 . . 2 . . . . . . . . . 4494 1 542 . 1 1 78 78 LYS HG2 H 1 1.56 . . 2 . . . . . . . . . 4494 1 543 . 1 1 78 78 LYS HG3 H 1 1.46 . . 2 . . . . . . . . . 4494 1 544 . 1 1 78 78 LYS HD2 H 1 1.70 . . 2 . . . . . . . . . 4494 1 545 . 1 1 79 79 PRO HA H 1 4.45 . . 1 . . . . . . . . . 4494 1 546 . 1 1 79 79 PRO HB2 H 1 2.16 . . 2 . . . . . . . . . 4494 1 547 . 1 1 79 79 PRO HG2 H 1 2.07 . . 2 . . . . . . . . . 4494 1 548 . 1 1 79 79 PRO HG3 H 1 2.02 . . 2 . . . . . . . . . 4494 1 549 . 1 1 79 79 PRO HD2 H 1 3.82 . . 2 . . . . . . . . . 4494 1 550 . 1 1 79 79 PRO HD3 H 1 3.62 . . 2 . . . . . . . . . 4494 1 551 . 1 1 80 80 ALA N N 15 125.7 . . 1 . . . . . . . . . 4494 1 552 . 1 1 80 80 ALA H H 1 8.18 . . 1 . . . . . . . . . 4494 1 553 . 1 1 80 80 ALA HA H 1 4.29 . . 1 . . . . . . . . . 4494 1 554 . 1 1 80 80 ALA HB1 H 1 1.39 . . 1 . . . . . . . . . 4494 1 555 . 1 1 80 80 ALA HB2 H 1 1.39 . . 1 . . . . . . . . . 4494 1 556 . 1 1 80 80 ALA HB3 H 1 1.39 . . 1 . . . . . . . . . 4494 1 557 . 1 1 81 81 LYS N N 15 123.3 . . 1 . . . . . . . . . 4494 1 558 . 1 1 81 81 LYS H H 1 8.02 . . 1 . . . . . . . . . 4494 1 559 . 1 1 81 81 LYS HA H 1 4.17 . . 1 . . . . . . . . . 4494 1 560 . 1 1 81 81 LYS HB2 H 1 1.89 . . 2 . . . . . . . . . 4494 1 561 . 1 1 81 81 LYS HB3 H 1 1.85 . . 2 . . . . . . . . . 4494 1 562 . 1 1 81 81 LYS HG2 H 1 1.41 . . 2 . . . . . . . . . 4494 1 563 . 1 1 81 81 LYS HG3 H 1 1.37 . . 2 . . . . . . . . . 4494 1 564 . 1 1 82 82 SER N N 15 113.8 . . 1 . . . . . . . . . 4494 1 565 . 1 1 82 82 SER H H 1 8.01 . . 1 . . . . . . . . . 4494 1 566 . 1 1 82 82 SER HA H 1 4.23 . . 1 . . . . . . . . . 4494 1 567 . 1 1 82 82 SER HB2 H 1 4.04 . . 2 . . . . . . . . . 4494 1 568 . 1 1 82 82 SER HB3 H 1 3.90 . . 2 . . . . . . . . . 4494 1 569 . 1 1 83 83 ALA N N 15 132.1 . . 1 . . . . . . . . . 4494 1 570 . 1 1 83 83 ALA H H 1 8.03 . . 1 . . . . . . . . . 4494 1 571 . 1 1 83 83 ALA HA H 1 4.19 . . 1 . . . . . . . . . 4494 1 572 . 1 1 83 83 ALA HB1 H 1 1.36 . . 1 . . . . . . . . . 4494 1 573 . 1 1 83 83 ALA HB2 H 1 1.36 . . 1 . . . . . . . . . 4494 1 574 . 1 1 83 83 ALA HB3 H 1 1.36 . . 1 . . . . . . . . . 4494 1 stop_ save_