data_5545 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5545 _Entry.Title ; NMR assignment of the C-terminal domain of insulin-like growth factor binding protein-6 (IGFBP-6) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-10-02 _Entry.Accession_date 2002-10-02 _Entry.Last_release_date 2002-10-02 _Entry.Original_release_date 2002-10-02 _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 Stephen Headey . J . . 5545 2 Shenggen Yao . . . . 5545 3 Nigel Parker . J . . 5545 4 Phillip Kantharidis . . . . 5545 5 Leon Bach . A . . 5545 6 Raymond Norton . S . . 5545 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5545 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 366 5545 '15N chemical shifts' 98 5545 '1H chemical shifts' 597 5545 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 . . 2003-03-18 . original BMRB . 5545 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5545 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N resonance assignments of the C-terminal domain of insulin-like growth factor binding protein-6 (IGFBP-6) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 25 _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 251 _Citation.Page_last 252 _Citation.Year 2003 _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 Stephen Headey . J. . . 5545 1 2 Shenggen Yao . . . . 5545 1 3 Nigel Parker . J. . . 5545 1 4 Phillip Kantharidis . . . . 5545 1 5 Leon Bach . A. . . 5545 1 6 Raymond Norton . S. . . 5545 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID IGFBP-6 5545 1 'NMR assignment' 5545 1 'insulin-like growth factor' 5545 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_IGFBP-6 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_IGFBP-6 _Assembly.Entry_ID 5545 _Assembly.ID 1 _Assembly.Name 'insulin-like growth factor binding protein-6' _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 . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5545 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 '161-240 IGFBP-6' 1 $IGFBP-6 . . . native . . . . . 5545 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 30 30 SG . 1 . 1 CYS 57 57 SG . . . . . . . . . . . . 5545 1 2 disulfide single . 1 . 1 CYS 68 68 SG . 1 . 1 CYS 79 79 SG . . . . . . . . . . . . 5545 1 3 disulfide single . 1 . 1 CYS 81 81 SG . 1 . 1 CYS 101 101 SG . . . . . . . . . . . . 5545 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID IGFBP-6 abbreviation 5545 1 'insulin-like growth factor binding protein-6' system 5545 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'insulin-like growth factor inhibitor' 5545 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IGFBP-6 _Entity.Sf_category entity _Entity.Sf_framecode IGFBP-6 _Entity.Entry_ID 5545 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'insulin-like growth factor binding protein-6' _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 ; SYYHHHHHHDYDIPTTENLY FQGAMGSGPCRRHLDSVLQQ LQTEVYRGAQTLYVPNCDHR GFYRKRQCRSSQGQRRGPCW CVDRMGKSLPGSPDGNGSSS CPTGSSG ; _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 107 _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 12056 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Author sequence numbers -27 to 0 denote the amino-acids of the vector His-tag fusion protein (-1 is ommitted), amino acids 1-80 denote amino acids 161-240 of IGFBP-6. ; _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 1 no PDB 1RMJ . 'C-Terminal Domain Of Insulin-Like Growth Factor (Igf) Binding Protein-6: Structure And Interaction With Igf-Ii' . . . . . 100.00 107 100.00 100.00 8.54e-57 . . . . 5545 1 2 no DBJ BAG35976 . 'unnamed protein product [Homo sapiens]' . . . . . 74.77 240 100.00 100.00 2.08e-40 . . . . 5545 1 3 no EMBL CAA07346 . 'insulin-like growth factor binding protein 6 [Homo sapiens]' . . . . . 74.77 240 100.00 100.00 2.08e-40 . . . . 5545 1 4 no EMBL CAG46590 . 'IGFBP6 [Homo sapiens]' . . . . . 74.77 240 100.00 100.00 2.08e-40 . . . . 5545 1 5 no GenBank AAA88070 . 'insulin-like growth factor binding protein 6' . . . . . 74.77 239 100.00 100.00 2.26e-40 . . . . 5545 1 6 no GenBank AAB06187 . 'IGF-BP 4' . . . . . 74.77 240 100.00 100.00 2.08e-40 . . . . 5545 1 7 no GenBank AAH03507 . 'Insulin-like growth factor binding protein 6 [Homo sapiens]' . . . . . 74.77 240 100.00 100.00 2.08e-40 . . . . 5545 1 8 no GenBank AAH05007 . 'Insulin-like growth factor binding protein 6 [Homo sapiens]' . . . . . 74.77 240 100.00 100.00 2.08e-40 . . . . 5545 1 9 no GenBank AAH10162 . 'Insulin-like growth factor binding protein 6 [Homo sapiens]' . . . . . 74.77 240 100.00 100.00 2.08e-40 . . . . 5545 1 10 no REF NP_002169 . 'insulin-like growth factor binding protein 6 [Homo sapiens]' . . . . . 74.77 240 100.00 100.00 2.08e-40 . . . . 5545 1 11 no REF XP_001087498 . 'PREDICTED: similar to insulin-like growth factor binding protein 6 [Macaca mulatta]' . . . . . 74.77 81 98.75 98.75 7.96e-39 . . . . 5545 1 12 no REF XP_509089 . ; PREDICTED: similar to Insulin-like growth factor-binding protein 6 precursor (IGFBP-6) (IBP-6) (IGF-binding protein 6) [Pan troglodytes] ; . . . . . 74.77 241 100.00 100.00 2.41e-40 . . . . 5545 1 13 no SWISS-PROT P24592 . 'Insulin-like growth factor-binding protein 6 precursor (IGF-binding protein 6) (IGFBP-6) (IBP-6)' . . . . . 74.77 240 100.00 100.00 2.08e-40 . . . . 5545 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 161-240IGFBP-6 variant 5545 1 IGFBP-6 abbreviation 5545 1 'insulin-like growth factor binding protein-6' common 5545 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 -27 SER . 5545 1 2 -26 TYR . 5545 1 3 -25 TYR . 5545 1 4 -24 HIS . 5545 1 5 -23 HIS . 5545 1 6 -22 HIS . 5545 1 7 -21 HIS . 5545 1 8 -20 HIS . 5545 1 9 -19 HIS . 5545 1 10 -18 ASP . 5545 1 11 -17 TYR . 5545 1 12 -16 ASP . 5545 1 13 -15 ILE . 5545 1 14 -14 PRO . 5545 1 15 -13 THR . 5545 1 16 -12 THR . 5545 1 17 -11 GLU . 5545 1 18 -10 ASN . 5545 1 19 -9 LEU . 5545 1 20 -8 TYR . 5545 1 21 -7 PHE . 5545 1 22 -6 GLN . 5545 1 23 -5 GLY . 5545 1 24 -4 ALA . 5545 1 25 -3 MET . 5545 1 26 -2 GLY . 5545 1 27 0 SER . 5545 1 28 1 GLY . 5545 1 29 2 PRO . 5545 1 30 3 CYS . 5545 1 31 4 ARG . 5545 1 32 5 ARG . 5545 1 33 6 HIS . 5545 1 34 7 LEU . 5545 1 35 8 ASP . 5545 1 36 9 SER . 5545 1 37 10 VAL . 5545 1 38 11 LEU . 5545 1 39 12 GLN . 5545 1 40 13 GLN . 5545 1 41 14 LEU . 5545 1 42 15 GLN . 5545 1 43 16 THR . 5545 1 44 17 GLU . 5545 1 45 18 VAL . 5545 1 46 19 TYR . 5545 1 47 20 ARG . 5545 1 48 21 GLY . 5545 1 49 22 ALA . 5545 1 50 23 GLN . 5545 1 51 24 THR . 5545 1 52 25 LEU . 5545 1 53 26 TYR . 5545 1 54 27 VAL . 5545 1 55 28 PRO . 5545 1 56 29 ASN . 5545 1 57 30 CYS . 5545 1 58 31 ASP . 5545 1 59 32 HIS . 5545 1 60 33 ARG . 5545 1 61 34 GLY . 5545 1 62 35 PHE . 5545 1 63 36 TYR . 5545 1 64 37 ARG . 5545 1 65 38 LYS . 5545 1 66 39 ARG . 5545 1 67 40 GLN . 5545 1 68 41 CYS . 5545 1 69 42 ARG . 5545 1 70 43 SER . 5545 1 71 44 SER . 5545 1 72 45 GLN . 5545 1 73 46 GLY . 5545 1 74 47 GLN . 5545 1 75 48 ARG . 5545 1 76 49 ARG . 5545 1 77 50 GLY . 5545 1 78 51 PRO . 5545 1 79 52 CYS . 5545 1 80 53 TRP . 5545 1 81 54 CYS . 5545 1 82 55 VAL . 5545 1 83 56 ASP . 5545 1 84 57 ARG . 5545 1 85 58 MET . 5545 1 86 59 GLY . 5545 1 87 60 LYS . 5545 1 88 61 SER . 5545 1 89 62 LEU . 5545 1 90 63 PRO . 5545 1 91 64 GLY . 5545 1 92 65 SER . 5545 1 93 66 PRO . 5545 1 94 67 ASP . 5545 1 95 68 GLY . 5545 1 96 69 ASN . 5545 1 97 70 GLY . 5545 1 98 71 SER . 5545 1 99 72 SER . 5545 1 100 73 SER . 5545 1 101 74 CYS . 5545 1 102 75 PRO . 5545 1 103 76 THR . 5545 1 104 77 GLY . 5545 1 105 78 SER . 5545 1 106 79 SER . 5545 1 107 80 GLY . 5545 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 . SER 1 1 5545 1 . TYR 2 2 5545 1 . TYR 3 3 5545 1 . HIS 4 4 5545 1 . HIS 5 5 5545 1 . HIS 6 6 5545 1 . HIS 7 7 5545 1 . HIS 8 8 5545 1 . HIS 9 9 5545 1 . ASP 10 10 5545 1 . TYR 11 11 5545 1 . ASP 12 12 5545 1 . ILE 13 13 5545 1 . PRO 14 14 5545 1 . THR 15 15 5545 1 . THR 16 16 5545 1 . GLU 17 17 5545 1 . ASN 18 18 5545 1 . LEU 19 19 5545 1 . TYR 20 20 5545 1 . PHE 21 21 5545 1 . GLN 22 22 5545 1 . GLY 23 23 5545 1 . ALA 24 24 5545 1 . MET 25 25 5545 1 . GLY 26 26 5545 1 . SER 27 27 5545 1 . GLY 28 28 5545 1 . PRO 29 29 5545 1 . CYS 30 30 5545 1 . ARG 31 31 5545 1 . ARG 32 32 5545 1 . HIS 33 33 5545 1 . LEU 34 34 5545 1 . ASP 35 35 5545 1 . SER 36 36 5545 1 . VAL 37 37 5545 1 . LEU 38 38 5545 1 . GLN 39 39 5545 1 . GLN 40 40 5545 1 . LEU 41 41 5545 1 . GLN 42 42 5545 1 . THR 43 43 5545 1 . GLU 44 44 5545 1 . VAL 45 45 5545 1 . TYR 46 46 5545 1 . ARG 47 47 5545 1 . GLY 48 48 5545 1 . ALA 49 49 5545 1 . GLN 50 50 5545 1 . THR 51 51 5545 1 . LEU 52 52 5545 1 . TYR 53 53 5545 1 . VAL 54 54 5545 1 . PRO 55 55 5545 1 . ASN 56 56 5545 1 . CYS 57 57 5545 1 . ASP 58 58 5545 1 . HIS 59 59 5545 1 . ARG 60 60 5545 1 . GLY 61 61 5545 1 . PHE 62 62 5545 1 . TYR 63 63 5545 1 . ARG 64 64 5545 1 . LYS 65 65 5545 1 . ARG 66 66 5545 1 . GLN 67 67 5545 1 . CYS 68 68 5545 1 . ARG 69 69 5545 1 . SER 70 70 5545 1 . SER 71 71 5545 1 . GLN 72 72 5545 1 . GLY 73 73 5545 1 . GLN 74 74 5545 1 . ARG 75 75 5545 1 . ARG 76 76 5545 1 . GLY 77 77 5545 1 . PRO 78 78 5545 1 . CYS 79 79 5545 1 . TRP 80 80 5545 1 . CYS 81 81 5545 1 . VAL 82 82 5545 1 . ASP 83 83 5545 1 . ARG 84 84 5545 1 . MET 85 85 5545 1 . GLY 86 86 5545 1 . LYS 87 87 5545 1 . SER 88 88 5545 1 . LEU 89 89 5545 1 . PRO 90 90 5545 1 . GLY 91 91 5545 1 . SER 92 92 5545 1 . PRO 93 93 5545 1 . ASP 94 94 5545 1 . GLY 95 95 5545 1 . ASN 96 96 5545 1 . GLY 97 97 5545 1 . SER 98 98 5545 1 . SER 99 99 5545 1 . SER 100 100 5545 1 . CYS 101 101 5545 1 . PRO 102 102 5545 1 . THR 103 103 5545 1 . GLY 104 104 5545 1 . SER 105 105 5545 1 . SER 106 106 5545 1 . GLY 107 107 5545 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 5545 _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 $IGFBP-6 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 5545 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 5545 _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 $IGFBP-6 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . plasmid . . 'pProEX HTb' . . . 5545 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_single-labelled_sample _Sample.Sf_category sample _Sample.Sf_framecode single-labelled_sample _Sample.Entry_ID 5545 _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 'insulin-like growth factor binding protein-6' '[U-50% 15N]' . . 1 $IGFBP-6 . . 1.0 . . mM . . . . 5545 1 2 'Na acetate' . . . . . . . 10 . . mM . . . . 5545 1 3 azide . . . . . . . 0.02 . . % . . . . 5545 1 4 D2O . . . . . . . 5 . . % . . . . 5545 1 stop_ save_ save_double-labelled_sample _Sample.Sf_category sample _Sample.Sf_framecode double-labelled_sample _Sample.Entry_ID 5545 _Sample.ID 2 _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 'insulin-like growth factor binding protein-6' '[U-95% 13C; U-50% 15N]' . . 1 $IGFBP-6 . . 1.0 . . mM . . . . 5545 2 2 'Na acetate' . . . . . . . 10 . . mM . . . . 5545 2 3 azide . . . . . . . 0.02 . . % . . . . 5545 2 4 D2O . . . . . . . 5 . . % . . . . 5545 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5545 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.01 0.002 M 5545 1 pH 4.5 0.1 n/a 5545 1 temperature 298 0.2 K 5545 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5545 _Software.ID 1 _Software.Type . _Software.Name XWINNMR _Software.Version 3.1 _Software.DOI . _Software.Details . 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 5545 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 5545 _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 Bruker DRX . 600 . . . 5545 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 5545 _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 '1H-15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5545 1 2 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5545 1 3 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5545 1 4 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5545 1 5 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5545 1 6 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5545 1 7 HAHB(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5545 1 8 '1H-13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5545 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5545 _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 C 13 TMS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . 5545 1 H 1 TMS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 internal . . . . 5545 1 N 15 TMS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 5545 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_CBP6_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CBP6_shifts_1 _Assigned_chem_shift_list.Entry_ID 5545 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; Several unassigned signals were observed that may correspond to a minor conformational species involving Cys54 and the aromatic 1Hs of Trp53. ; _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 '1H-15N NOESY-HSQC' 1 $single-labelled_sample . 5545 1 2 HNCA 2 $double-labelled_sample . 5545 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 3 3 TYR CA C 13 57.9 0.5 . 1 . . . . . -25 . . . 5545 1 2 . 1 1 3 3 TYR CB C 13 38.9 0.5 . 1 . . . . . -25 . . . 5545 1 3 . 1 1 3 3 TYR H H 1 8.14 0.02 . 1 . . . . . -25 . . . 5545 1 4 . 1 1 3 3 TYR HA H 1 4.51 0.02 . 1 . . . . . -25 . . . 5545 1 5 . 1 1 3 3 TYR HB2 H 1 2.78 0.02 . 1 . . . . . -25 . . . 5545 1 6 . 1 1 3 3 TYR HB3 H 1 2.78 0.02 . 1 . . . . . -25 . . . 5545 1 7 . 1 1 3 3 TYR HD2 H 1 6.95 0.02 . 3 . . . . . -25 . . . 5545 1 8 . 1 1 3 3 TYR N N 15 122.2 0.5 . 1 . . . . . -25 . . . 5545 1 9 . 1 1 4 4 HIS CA C 13 55.4 0.5 . 1 . . . . . -24 . . . 5545 1 10 . 1 1 4 4 HIS CB C 13 29.2 0.5 . 1 . . . . . -24 . . . 5545 1 11 . 1 1 4 4 HIS H H 1 8.31 0.02 . 1 . . . . . -24 . . . 5545 1 12 . 1 1 4 4 HIS N N 15 120.9 0.5 . 1 . . . . . -24 . . . 5545 1 13 . 1 1 10 10 ASP C C 13 175.9 0.5 . 1 . . . . . -18 . . . 5545 1 14 . 1 1 10 10 ASP CA C 13 55.2 0.5 . 1 . . . . . -18 . . . 5545 1 15 . 1 1 10 10 ASP CB C 13 40.9 0.5 . 1 . . . . . -18 . . . 5545 1 16 . 1 1 10 10 ASP H H 1 8.49 0.02 . 1 . . . . . -18 . . . 5545 1 17 . 1 1 10 10 ASP HA H 1 4.48 0.02 . 1 . . . . . -18 . . . 5545 1 18 . 1 1 10 10 ASP HB2 H 1 2.52 0.02 . 1 . . . . . -18 . . . 5545 1 19 . 1 1 10 10 ASP HB3 H 1 2.52 0.02 . 1 . . . . . -18 . . . 5545 1 20 . 1 1 10 10 ASP N N 15 121.7 0.5 . 1 . . . . . -18 . . . 5545 1 21 . 1 1 11 11 TYR C C 13 175.5 0.5 . 1 . . . . . -17 . . . 5545 1 22 . 1 1 11 11 TYR CA C 13 57.6 0.5 . 1 . . . . . -17 . . . 5545 1 23 . 1 1 11 11 TYR CB C 13 38.3 0.5 . 1 . . . . . -17 . . . 5545 1 24 . 1 1 11 11 TYR H H 1 7.97 0.02 . 1 . . . . . -17 . . . 5545 1 25 . 1 1 11 11 TYR HA H 1 4.44 0.02 . 1 . . . . . -17 . . . 5545 1 26 . 1 1 11 11 TYR HB2 H 1 2.79 0.02 . 1 . . . . . -17 . . . 5545 1 27 . 1 1 11 11 TYR HB3 H 1 2.79 0.02 . 1 . . . . . -17 . . . 5545 1 28 . 1 1 11 11 TYR HD2 H 1 6.93 0.02 . 3 . . . . . -17 . . . 5545 1 29 . 1 1 11 11 TYR N N 15 118.5 0.5 . 1 . . . . . -17 . . . 5545 1 30 . 1 1 12 12 ASP C C 13 175.7 0.5 . 1 . . . . . -16 . . . 5545 1 31 . 1 1 12 12 ASP CA C 13 54.4 0.5 . 1 . . . . . -16 . . . 5545 1 32 . 1 1 12 12 ASP CB C 13 40.9 0.5 . 1 . . . . . -16 . . . 5545 1 33 . 1 1 12 12 ASP H H 1 8.19 0.02 . 1 . . . . . -16 . . . 5545 1 34 . 1 1 12 12 ASP HA H 1 4.51 0.02 . 1 . . . . . -16 . . . 5545 1 35 . 1 1 12 12 ASP HB2 H 1 2.57 0.02 . 1 . . . . . -16 . . . 5545 1 36 . 1 1 12 12 ASP HB3 H 1 2.57 0.02 . 1 . . . . . -16 . . . 5545 1 37 . 1 1 12 12 ASP N N 15 121.7 0.5 . 1 . . . . . -16 . . . 5545 1 38 . 1 1 13 13 ILE C C 13 174.9 0.5 . 1 . . . . . -15 . . . 5545 1 39 . 1 1 13 13 ILE CA C 13 59.1 0.5 . 1 . . . . . -15 . . . 5545 1 40 . 1 1 13 13 ILE CB C 13 38.7 0.5 . 1 . . . . . -15 . . . 5545 1 41 . 1 1 13 13 ILE CD1 C 13 13.2 0.5 . 2 . . . . . -15 . . . 5545 1 42 . 1 1 13 13 ILE CG1 C 13 27.3 0.5 . 2 . . . . . -15 . . . 5545 1 43 . 1 1 13 13 ILE CG2 C 13 17.6 0.5 . 2 . . . . . -15 . . . 5545 1 44 . 1 1 13 13 ILE H H 1 7.98 0.02 . 1 . . . . . -15 . . . 5545 1 45 . 1 1 13 13 ILE HA H 1 4.38 0.02 . 1 . . . . . -15 . . . 5545 1 46 . 1 1 13 13 ILE HB H 1 1.81 0.02 . 1 . . . . . -15 . . . 5545 1 47 . 1 1 13 13 ILE HD11 H 1 0.79 0.02 . 1 . . . . . -15 . . . 5545 1 48 . 1 1 13 13 ILE HD12 H 1 0.79 0.02 . 1 . . . . . -15 . . . 5545 1 49 . 1 1 13 13 ILE HD13 H 1 0.79 0.02 . 1 . . . . . -15 . . . 5545 1 50 . 1 1 13 13 ILE HG12 H 1 1.08 0.02 . 2 . . . . . -15 . . . 5545 1 51 . 1 1 13 13 ILE HG13 H 1 1.47 0.02 . 2 . . . . . -15 . . . 5545 1 52 . 1 1 13 13 ILE HG21 H 1 0.88 0.02 . 1 . . . . . -15 . . . 5545 1 53 . 1 1 13 13 ILE HG22 H 1 0.88 0.02 . 1 . . . . . -15 . . . 5545 1 54 . 1 1 13 13 ILE HG23 H 1 0.88 0.02 . 1 . . . . . -15 . . . 5545 1 55 . 1 1 13 13 ILE N N 15 121.9 0.5 . 1 . . . . . -15 . . . 5545 1 56 . 1 1 14 14 PRO C C 13 177.3 0.5 . 1 . . . . . -14 . . . 5545 1 57 . 1 1 14 14 PRO CA C 13 63.7 0.5 . 1 . . . . . -14 . . . 5545 1 58 . 1 1 14 14 PRO CB C 13 32.4 0.5 . 1 . . . . . -14 . . . 5545 1 59 . 1 1 14 14 PRO HA H 1 4.46 0.02 . 1 . . . . . -14 . . . 5545 1 60 . 1 1 14 14 PRO HB2 H 1 1.87 0.02 . 2 . . . . . -14 . . . 5545 1 61 . 1 1 14 14 PRO HB3 H 1 2.23 0.02 . 2 . . . . . -14 . . . 5545 1 62 . 1 1 15 15 THR C C 13 175.4 0.5 . 1 . . . . . -13 . . . 5545 1 63 . 1 1 15 15 THR CA C 13 62.4 0.5 . 1 . . . . . -13 . . . 5545 1 64 . 1 1 15 15 THR CB C 13 69.6 0.5 . 1 . . . . . -13 . . . 5545 1 65 . 1 1 15 15 THR CG2 C 13 21.8 0.5 . 1 . . . . . -13 . . . 5545 1 66 . 1 1 15 15 THR H H 1 8.24 0.02 . 1 . . . . . -13 . . . 5545 1 67 . 1 1 15 15 THR HA H 1 4.32 0.02 . 1 . . . . . -13 . . . 5545 1 68 . 1 1 15 15 THR HB H 1 4.29 0.02 . 1 . . . . . -13 . . . 5545 1 69 . 1 1 15 15 THR HG21 H 1 1.19 0.02 . 1 . . . . . -13 . . . 5545 1 70 . 1 1 15 15 THR HG22 H 1 1.19 0.02 . 1 . . . . . -13 . . . 5545 1 71 . 1 1 15 15 THR HG23 H 1 1.19 0.02 . 1 . . . . . -13 . . . 5545 1 72 . 1 1 15 15 THR N N 15 114.1 0.5 . 1 . . . . . -13 . . . 5545 1 73 . 1 1 16 16 THR C C 13 175.2 0.5 . 1 . . . . . -12 . . . 5545 1 74 . 1 1 16 16 THR CA C 13 62.8 0.5 . 1 . . . . . -12 . . . 5545 1 75 . 1 1 16 16 THR CB C 13 69.1 0.5 . 1 . . . . . -12 . . . 5545 1 76 . 1 1 16 16 THR CG2 C 13 22.0 0.5 . 1 . . . . . -12 . . . 5545 1 77 . 1 1 16 16 THR H H 1 8.06 0.02 . 1 . . . . . -12 . . . 5545 1 78 . 1 1 16 16 THR HA H 1 4.26 0.02 . 1 . . . . . -12 . . . 5545 1 79 . 1 1 16 16 THR HB H 1 4.24 0.02 . 1 . . . . . -12 . . . 5545 1 80 . 1 1 16 16 THR HG21 H 1 1.19 0.02 . 1 . . . . . -12 . . . 5545 1 81 . 1 1 16 16 THR HG22 H 1 1.19 0.02 . 1 . . . . . -12 . . . 5545 1 82 . 1 1 16 16 THR HG23 H 1 1.19 0.02 . 1 . . . . . -12 . . . 5545 1 83 . 1 1 16 16 THR N N 15 115.0 0.5 . 1 . . . . . -12 . . . 5545 1 84 . 1 1 17 17 GLU C C 13 176.5 0.5 . 1 . . . . . -11 . . . 5545 1 85 . 1 1 17 17 GLU CA C 13 57.4 0.5 . 1 . . . . . -11 . . . 5545 1 86 . 1 1 17 17 GLU CB C 13 29.7 0.5 . 1 . . . . . -11 . . . 5545 1 87 . 1 1 17 17 GLU CG C 13 35.9 0.5 . 1 . . . . . -11 . . . 5545 1 88 . 1 1 17 17 GLU H H 1 8.34 0.02 . 1 . . . . . -11 . . . 5545 1 89 . 1 1 17 17 GLU HA H 1 4.21 0.02 . 1 . . . . . -11 . . . 5545 1 90 . 1 1 17 17 GLU HB2 H 1 1.96 0.02 . 1 . . . . . -11 . . . 5545 1 91 . 1 1 17 17 GLU HB3 H 1 1.96 0.02 . 1 . . . . . -11 . . . 5545 1 92 . 1 1 17 17 GLU HG2 H 1 2.26 0.02 . 1 . . . . . -11 . . . 5545 1 93 . 1 1 17 17 GLU HG3 H 1 2.26 0.02 . 1 . . . . . -11 . . . 5545 1 94 . 1 1 17 17 GLU N N 15 122.2 0.5 . 1 . . . . . -11 . . . 5545 1 95 . 1 1 18 18 ASN C C 13 175.8 0.5 . 1 . . . . . -10 . . . 5545 1 96 . 1 1 18 18 ASN CA C 13 54.0 0.5 . 1 . . . . . -10 . . . 5545 1 97 . 1 1 18 18 ASN CB C 13 38.7 0.5 . 1 . . . . . -10 . . . 5545 1 98 . 1 1 18 18 ASN H H 1 8.29 0.02 . 1 . . . . . -10 . . . 5545 1 99 . 1 1 18 18 ASN HA H 1 4.60 0.02 . 1 . . . . . -10 . . . 5545 1 100 . 1 1 18 18 ASN HB2 H 1 2.74 0.02 . 1 . . . . . -10 . . . 5545 1 101 . 1 1 18 18 ASN HB3 H 1 2.74 0.02 . 1 . . . . . -10 . . . 5545 1 102 . 1 1 18 18 ASN HD21 H 1 6.86 0.02 . 2 . . . . . -10 . . . 5545 1 103 . 1 1 18 18 ASN HD22 H 1 7.55 0.02 . 2 . . . . . -10 . . . 5545 1 104 . 1 1 18 18 ASN N N 15 118.9 0.5 . 1 . . . . . -10 . . . 5545 1 105 . 1 1 18 18 ASN ND2 N 15 112.5 0.5 . 1 . . . . . -10 . . . 5545 1 106 . 1 1 19 19 LEU CA C 13 56.2 0.5 . 1 . . . . . -9 . . . 5545 1 107 . 1 1 19 19 LEU CB C 13 42.1 0.5 . 1 . . . . . -9 . . . 5545 1 108 . 1 1 19 19 LEU CD1 C 13 25.3 0.5 . 2 . . . . . -9 . . . 5545 1 109 . 1 1 19 19 LEU H H 1 8.04 0.02 . 1 . . . . . -9 . . . 5545 1 110 . 1 1 19 19 LEU HA H 1 4.12 0.02 . 1 . . . . . -9 . . . 5545 1 111 . 1 1 19 19 LEU HB2 H 1 1.27 0.02 . 2 . . . . . -9 . . . 5545 1 112 . 1 1 19 19 LEU HB3 H 1 1.45 0.02 . 2 . . . . . -9 . . . 5545 1 113 . 1 1 19 19 LEU HD11 H 1 0.74 0.02 . 2 . . . . . -9 . . . 5545 1 114 . 1 1 19 19 LEU HD12 H 1 0.74 0.02 . 2 . . . . . -9 . . . 5545 1 115 . 1 1 19 19 LEU HD13 H 1 0.74 0.02 . 2 . . . . . -9 . . . 5545 1 116 . 1 1 19 19 LEU HG H 1 1.25 0.02 . 1 . . . . . -9 . . . 5545 1 117 . 1 1 19 19 LEU N N 15 121.5 0.5 . 1 . . . . . -9 . . . 5545 1 118 . 1 1 20 20 TYR C C 13 176.2 0.5 . 1 . . . . . -8 . . . 5545 1 119 . 1 1 20 20 TYR CA C 13 58.4 0.5 . 1 . . . . . -8 . . . 5545 1 120 . 1 1 20 20 TYR CB C 13 38.5 0.5 . 1 . . . . . -8 . . . 5545 1 121 . 1 1 20 20 TYR CD1 C 13 133.3 0.5 . 3 . . . . . -8 . . . 5545 1 122 . 1 1 20 20 TYR CE1 C 13 118.7 0.5 . 3 . . . . . -8 . . . 5545 1 123 . 1 1 20 20 TYR H H 1 7.95 0.02 . 1 . . . . . -8 . . . 5545 1 124 . 1 1 20 20 TYR HA H 1 4.42 0.02 . 1 . . . . . -8 . . . 5545 1 125 . 1 1 20 20 TYR HB2 H 1 2.84 0.02 . 1 . . . . . -8 . . . 5545 1 126 . 1 1 20 20 TYR HB3 H 1 2.84 0.02 . 1 . . . . . -8 . . . 5545 1 127 . 1 1 20 20 TYR HD2 H 1 6.92 0.02 . 3 . . . . . -8 . . . 5545 1 128 . 1 1 20 20 TYR HE1 H 1 6.69 0.02 . 3 . . . . . -8 . . . 5545 1 129 . 1 1 20 20 TYR N N 15 118.5 0.5 . 1 . . . . . -8 . . . 5545 1 130 . 1 1 21 21 PHE C C 13 175.9 0.5 . 1 . . . . . -7 . . . 5545 1 131 . 1 1 21 21 PHE CA C 13 58.2 0.5 . 1 . . . . . -7 . . . 5545 1 132 . 1 1 21 21 PHE CB C 13 39.3 0.5 . 1 . . . . . -7 . . . 5545 1 133 . 1 1 21 21 PHE H H 1 7.92 0.02 . 1 . . . . . -7 . . . 5545 1 134 . 1 1 21 21 PHE HA H 1 4.50 0.02 . 1 . . . . . -7 . . . 5545 1 135 . 1 1 21 21 PHE HB2 H 1 2.94 0.02 . 2 . . . . . -7 . . . 5545 1 136 . 1 1 21 21 PHE HB3 H 1 3.12 0.02 . 2 . . . . . -7 . . . 5545 1 137 . 1 1 21 21 PHE HD2 H 1 7.19 0.02 . 3 . . . . . -7 . . . 5545 1 138 . 1 1 21 21 PHE N N 15 120.3 0.5 . 1 . . . . . -7 . . . 5545 1 139 . 1 1 22 22 GLN C C 13 176.4 0.5 . 1 . . . . . -6 . . . 5545 1 140 . 1 1 22 22 GLN CA C 13 56.5 0.5 . 1 . . . . . -6 . . . 5545 1 141 . 1 1 22 22 GLN CB C 13 29.2 0.5 . 1 . . . . . -6 . . . 5545 1 142 . 1 1 22 22 GLN CG C 13 34.2 0.5 . 1 . . . . . -6 . . . 5545 1 143 . 1 1 22 22 GLN H H 1 8.23 0.02 . 1 . . . . . -6 . . . 5545 1 144 . 1 1 22 22 GLN HA H 1 4.20 0.02 . 1 . . . . . -6 . . . 5545 1 145 . 1 1 22 22 GLN HB2 H 1 1.88 0.02 . 1 . . . . . -6 . . . 5545 1 146 . 1 1 22 22 GLN HB3 H 1 1.88 0.02 . 1 . . . . . -6 . . . 5545 1 147 . 1 1 22 22 GLN HE21 H 1 6.81 0.02 . 1 . . . . . -6 . . . 5545 1 148 . 1 1 22 22 GLN HE22 H 1 7.44 0.02 . 1 . . . . . -6 . . . 5545 1 149 . 1 1 22 22 GLN HG2 H 1 2.27 0.02 . 1 . . . . . -6 . . . 5545 1 150 . 1 1 22 22 GLN HG3 H 1 2.27 0.02 . 1 . . . . . -6 . . . 5545 1 151 . 1 1 22 22 GLN N N 15 121.3 0.5 . 1 . . . . . -6 . . . 5545 1 152 . 1 1 22 22 GLN NE2 N 15 111.8 0.5 . 1 . . . . . -6 . . . 5545 1 153 . 1 1 23 23 GLY C C 13 174.1 0.5 . 1 . . . . . -5 . . . 5545 1 154 . 1 1 23 23 GLY CA C 13 45.6 0.5 . 1 . . . . . -5 . . . 5545 1 155 . 1 1 23 23 GLY H H 1 7.83 0.02 . 1 . . . . . -5 . . . 5545 1 156 . 1 1 23 23 GLY HA2 H 1 3.86 0.02 . 1 . . . . . -5 . . . 5545 1 157 . 1 1 23 23 GLY HA3 H 1 3.86 0.02 . 1 . . . . . -5 . . . 5545 1 158 . 1 1 23 23 GLY N N 15 108.6 0.5 . 1 . . . . . -5 . . . 5545 1 159 . 1 1 24 24 ALA C C 13 177.7 0.5 . 1 . . . . . -4 . . . 5545 1 160 . 1 1 24 24 ALA CA C 13 52.8 0.5 . 1 . . . . . -4 . . . 5545 1 161 . 1 1 24 24 ALA CB C 13 19.5 0.5 . 1 . . . . . -4 . . . 5545 1 162 . 1 1 24 24 ALA H H 1 8.12 0.02 . 1 . . . . . -4 . . . 5545 1 163 . 1 1 24 24 ALA HA H 1 4.30 0.02 . 1 . . . . . -4 . . . 5545 1 164 . 1 1 24 24 ALA HB1 H 1 1.36 0.02 . 1 . . . . . -4 . . . 5545 1 165 . 1 1 24 24 ALA HB2 H 1 1.36 0.02 . 1 . . . . . -4 . . . 5545 1 166 . 1 1 24 24 ALA HB3 H 1 1.36 0.02 . 1 . . . . . -4 . . . 5545 1 167 . 1 1 24 24 ALA N N 15 123.4 0.5 . 1 . . . . . -4 . . . 5545 1 168 . 1 1 25 25 MET C C 13 176.9 0.5 . 1 . . . . . -3 . . . 5545 1 169 . 1 1 25 25 MET CA C 13 56.0 0.5 . 1 . . . . . -3 . . . 5545 1 170 . 1 1 25 25 MET CB C 13 34.2 0.5 . 1 . . . . . -3 . . . 5545 1 171 . 1 1 25 25 MET CE C 13 16.9 0.5 . 1 . . . . . -3 . . . 5545 1 172 . 1 1 25 25 MET CG C 13 31.7 0.5 . 1 . . . . . -3 . . . 5545 1 173 . 1 1 25 25 MET H H 1 8.20 0.02 . 1 . . . . . -3 . . . 5545 1 174 . 1 1 25 25 MET HA H 1 4.43 0.02 . 1 . . . . . -3 . . . 5545 1 175 . 1 1 25 25 MET HB2 H 1 1.97 0.02 . 1 . . . . . -3 . . . 5545 1 176 . 1 1 25 25 MET HB3 H 1 1.97 0.02 . 1 . . . . . -3 . . . 5545 1 177 . 1 1 25 25 MET HE1 H 1 1.94 0.02 . 1 . . . . . -3 . . . 5545 1 178 . 1 1 25 25 MET HE2 H 1 1.94 0.02 . 1 . . . . . -3 . . . 5545 1 179 . 1 1 25 25 MET HE3 H 1 1.94 0.02 . 1 . . . . . -3 . . . 5545 1 180 . 1 1 25 25 MET HG2 H 1 2.56 0.02 . 1 . . . . . -3 . . . 5545 1 181 . 1 1 25 25 MET HG3 H 1 2.56 0.02 . 1 . . . . . -3 . . . 5545 1 182 . 1 1 25 25 MET N N 15 120.1 0.5 . 1 . . . . . -3 . . . 5545 1 183 . 1 1 26 26 GLY C C 13 173.3 0.5 . 1 . . . . . -2 . . . 5545 1 184 . 1 1 26 26 GLY CA C 13 45.5 0.5 . 1 . . . . . -2 . . . 5545 1 185 . 1 1 26 26 GLY H H 1 8.25 0.02 . 1 . . . . . -2 . . . 5545 1 186 . 1 1 26 26 GLY HA2 H 1 3.71 0.02 . 2 . . . . . -2 . . . 5545 1 187 . 1 1 26 26 GLY HA3 H 1 4.01 0.02 . 2 . . . . . -2 . . . 5545 1 188 . 1 1 26 26 GLY N N 15 110.4 0.5 . 1 . . . . . -2 . . . 5545 1 189 . 1 1 27 27 SER C C 13 174.8 0.5 . 1 . . . . . 0 . . . 5545 1 190 . 1 1 27 27 SER CA C 13 58.1 0.5 . 1 . . . . . 0 . . . 5545 1 191 . 1 1 27 27 SER CB C 13 63.5 0.5 . 1 . . . . . 0 . . . 5545 1 192 . 1 1 27 27 SER H H 1 7.96 0.02 . 1 . . . . . 0 . . . 5545 1 193 . 1 1 27 27 SER HA H 1 4.39 0.02 . 1 . . . . . 0 . . . 5545 1 194 . 1 1 27 27 SER HB2 H 1 3.79 0.02 . 1 . . . . . 0 . . . 5545 1 195 . 1 1 27 27 SER HB3 H 1 3.79 0.02 . 1 . . . . . 0 . . . 5545 1 196 . 1 1 27 27 SER N N 15 113.1 0.5 . 1 . . . . . 0 . . . 5545 1 197 . 1 1 28 28 GLY CA C 13 45.1 0.5 . 1 . . . . . 1 . . . 5545 1 198 . 1 1 28 28 GLY H H 1 7.62 0.02 . 1 . . . . . 1 . . . 5545 1 199 . 1 1 28 28 GLY HA2 H 1 2.89 0.02 . 2 . . . . . 1 . . . 5545 1 200 . 1 1 28 28 GLY HA3 H 1 3.68 0.02 . 2 . . . . . 1 . . . 5545 1 201 . 1 1 28 28 GLY N N 15 109.0 0.5 . 1 . . . . . 1 . . . 5545 1 202 . 1 1 29 29 PRO C C 13 176.2 0.5 . 1 . . . . . 2 . . . 5545 1 203 . 1 1 29 29 PRO CA C 13 65.0 0.5 . 1 . . . . . 2 . . . 5545 1 204 . 1 1 29 29 PRO CB C 13 32.3 0.5 . 1 . . . . . 2 . . . 5545 1 205 . 1 1 29 29 PRO CD C 13 49.5 0.5 . 1 . . . . . 2 . . . 5545 1 206 . 1 1 29 29 PRO CG C 13 28.1 0.5 . 1 . . . . . 2 . . . 5545 1 207 . 1 1 29 29 PRO HA H 1 4.22 0.02 . 1 . . . . . 2 . . . 5545 1 208 . 1 1 29 29 PRO HB2 H 1 2.22 0.02 . 2 . . . . . 2 . . . 5545 1 209 . 1 1 29 29 PRO HB3 H 1 2.46 0.02 . 2 . . . . . 2 . . . 5545 1 210 . 1 1 29 29 PRO HD2 H 1 2.38 0.02 . 2 . . . . . 2 . . . 5545 1 211 . 1 1 29 29 PRO HD3 H 1 3.17 0.02 . 2 . . . . . 2 . . . 5545 1 212 . 1 1 29 29 PRO HG2 H 1 2.45 0.02 . 1 . . . . . 2 . . . 5545 1 213 . 1 1 29 29 PRO HG3 H 1 2.45 0.02 . 1 . . . . . 2 . . . 5545 1 214 . 1 1 30 30 CYS C C 13 175.9 0.5 . 1 . . . . . 3 . . . 5545 1 215 . 1 1 30 30 CYS CA C 13 59.6 0.5 . 1 . . . . . 3 . . . 5545 1 216 . 1 1 30 30 CYS CB C 13 35.9 0.5 . 1 . . . . . 3 . . . 5545 1 217 . 1 1 30 30 CYS H H 1 7.89 0.02 . 1 . . . . . 3 . . . 5545 1 218 . 1 1 30 30 CYS HA H 1 3.54 0.02 . 1 . . . . . 3 . . . 5545 1 219 . 1 1 30 30 CYS HB2 H 1 0.88 0.02 . 2 . . . . . 3 . . . 5545 1 220 . 1 1 30 30 CYS HB3 H 1 1.96 0.02 . 2 . . . . . 3 . . . 5545 1 221 . 1 1 30 30 CYS N N 15 120.0 0.5 . 1 . . . . . 3 . . . 5545 1 222 . 1 1 31 31 ARG C C 13 177.5 0.5 . 1 . . . . . 4 . . . 5545 1 223 . 1 1 31 31 ARG CA C 13 59.3 0.5 . 1 . . . . . 4 . . . 5545 1 224 . 1 1 31 31 ARG CB C 13 29.5 0.5 . 1 . . . . . 4 . . . 5545 1 225 . 1 1 31 31 ARG CD C 13 43.3 0.5 . 1 . . . . . 4 . . . 5545 1 226 . 1 1 31 31 ARG CG C 13 27.2 0.5 . 1 . . . . . 4 . . . 5545 1 227 . 1 1 31 31 ARG H H 1 7.17 0.02 . 1 . . . . . 4 . . . 5545 1 228 . 1 1 31 31 ARG HA H 1 3.74 0.02 . 1 . . . . . 4 . . . 5545 1 229 . 1 1 31 31 ARG HB2 H 1 1.68 0.02 . 2 . . . . . 4 . . . 5545 1 230 . 1 1 31 31 ARG HB3 H 1 1.91 0.02 . 2 . . . . . 4 . . . 5545 1 231 . 1 1 31 31 ARG HD2 H 1 3.04 0.02 . 1 . . . . . 4 . . . 5545 1 232 . 1 1 31 31 ARG HD3 H 1 3.04 0.02 . 1 . . . . . 4 . . . 5545 1 233 . 1 1 31 31 ARG HE H 1 6.57 0.02 . 1 . . . . . 4 . . . 5545 1 234 . 1 1 31 31 ARG HG2 H 1 1.70 0.02 . 1 . . . . . 4 . . . 5545 1 235 . 1 1 31 31 ARG HG3 H 1 1.70 0.02 . 1 . . . . . 4 . . . 5545 1 236 . 1 1 31 31 ARG N N 15 120.9 0.5 . 1 . . . . . 4 . . . 5545 1 237 . 1 1 32 32 ARG C C 13 179.0 0.5 . 1 . . . . . 5 . . . 5545 1 238 . 1 1 32 32 ARG CA C 13 59.5 0.5 . 1 . . . . . 5 . . . 5545 1 239 . 1 1 32 32 ARG CB C 13 30.1 0.5 . 1 . . . . . 5 . . . 5545 1 240 . 1 1 32 32 ARG CD C 13 43.7 0.5 . 1 . . . . . 5 . . . 5545 1 241 . 1 1 32 32 ARG CG C 13 27.8 0.5 . 1 . . . . . 5 . . . 5545 1 242 . 1 1 32 32 ARG H H 1 7.59 0.02 . 1 . . . . . 5 . . . 5545 1 243 . 1 1 32 32 ARG HA H 1 4.12 0.02 . 1 . . . . . 5 . . . 5545 1 244 . 1 1 32 32 ARG HB2 H 1 1.80 0.02 . 1 . . . . . 5 . . . 5545 1 245 . 1 1 32 32 ARG HB3 H 1 1.80 0.02 . 1 . . . . . 5 . . . 5545 1 246 . 1 1 32 32 ARG HD2 H 1 3.20 0.02 . 1 . . . . . 5 . . . 5545 1 247 . 1 1 32 32 ARG HD3 H 1 3.20 0.02 . 1 . . . . . 5 . . . 5545 1 248 . 1 1 32 32 ARG HE H 1 7.25 0.02 . 1 . . . . . 5 . . . 5545 1 249 . 1 1 32 32 ARG HG2 H 1 1.65 0.02 . 1 . . . . . 5 . . . 5545 1 250 . 1 1 32 32 ARG HG3 H 1 1.65 0.02 . 1 . . . . . 5 . . . 5545 1 251 . 1 1 32 32 ARG HH22 H 1 6.67 0.02 . 2 . . . . . 5 . . . 5545 1 252 . 1 1 32 32 ARG N N 15 116.6 0.5 . 1 . . . . . 5 . . . 5545 1 253 . 1 1 33 33 HIS C C 13 177.7 0.5 . 1 . . . . . 6 . . . 5545 1 254 . 1 1 33 33 HIS CA C 13 57.5 0.5 . 1 . . . . . 6 . . . 5545 1 255 . 1 1 33 33 HIS CB C 13 31.6 0.5 . 1 . . . . . 6 . . . 5545 1 256 . 1 1 33 33 HIS CD2 C 13 117.2 0.5 . 1 . . . . . 6 . . . 5545 1 257 . 1 1 33 33 HIS H H 1 7.42 0.02 . 1 . . . . . 6 . . . 5545 1 258 . 1 1 33 33 HIS HA H 1 4.53 0.02 . 1 . . . . . 6 . . . 5545 1 259 . 1 1 33 33 HIS HB2 H 1 3.31 0.02 . 2 . . . . . 6 . . . 5545 1 260 . 1 1 33 33 HIS HB3 H 1 3.45 0.02 . 2 . . . . . 6 . . . 5545 1 261 . 1 1 33 33 HIS HD2 H 1 7.14 0.02 . 1 . . . . . 6 . . . 5545 1 262 . 1 1 33 33 HIS N N 15 121.2 0.5 . 1 . . . . . 6 . . . 5545 1 263 . 1 1 34 34 LEU C C 13 177.8 0.5 . 1 . . . . . 7 . . . 5545 1 264 . 1 1 34 34 LEU CA C 13 58.8 0.5 . 1 . . . . . 7 . . . 5545 1 265 . 1 1 34 34 LEU CB C 13 42.4 0.5 . 1 . . . . . 7 . . . 5545 1 266 . 1 1 34 34 LEU CD1 C 13 26.5 0.5 . 2 . . . . . 7 . . . 5545 1 267 . 1 1 34 34 LEU CD2 C 13 23.9 0.5 . 2 . . . . . 7 . . . 5545 1 268 . 1 1 34 34 LEU H H 1 9.18 0.02 . 1 . . . . . 7 . . . 5545 1 269 . 1 1 34 34 LEU HA H 1 3.62 0.02 . 1 . . . . . 7 . . . 5545 1 270 . 1 1 34 34 LEU HB2 H 1 1.37 0.02 . 2 . . . . . 7 . . . 5545 1 271 . 1 1 34 34 LEU HB3 H 1 1.95 0.02 . 2 . . . . . 7 . . . 5545 1 272 . 1 1 34 34 LEU HD11 H 1 0.72 0.02 . 2 . . . . . 7 . . . 5545 1 273 . 1 1 34 34 LEU HD12 H 1 0.72 0.02 . 2 . . . . . 7 . . . 5545 1 274 . 1 1 34 34 LEU HD13 H 1 0.72 0.02 . 2 . . . . . 7 . . . 5545 1 275 . 1 1 34 34 LEU HD21 H 1 0.81 0.02 . 2 . . . . . 7 . . . 5545 1 276 . 1 1 34 34 LEU HD22 H 1 0.81 0.02 . 2 . . . . . 7 . . . 5545 1 277 . 1 1 34 34 LEU HD23 H 1 0.81 0.02 . 2 . . . . . 7 . . . 5545 1 278 . 1 1 34 34 LEU HG H 1 1.36 0.02 . 1 . . . . . 7 . . . 5545 1 279 . 1 1 34 34 LEU N N 15 122.5 0.5 . 1 . . . . . 7 . . . 5545 1 280 . 1 1 35 35 ASP C C 13 179.4 0.5 . 1 . . . . . 8 . . . 5545 1 281 . 1 1 35 35 ASP CA C 13 57.8 0.5 . 1 . . . . . 8 . . . 5545 1 282 . 1 1 35 35 ASP CB C 13 40.1 0.5 . 1 . . . . . 8 . . . 5545 1 283 . 1 1 35 35 ASP H H 1 8.67 0.02 . 1 . . . . . 8 . . . 5545 1 284 . 1 1 35 35 ASP HA H 1 4.35 0.02 . 1 . . . . . 8 . . . 5545 1 285 . 1 1 35 35 ASP HB2 H 1 2.63 0.02 . 2 . . . . . 8 . . . 5545 1 286 . 1 1 35 35 ASP HB3 H 1 2.79 0.02 . 2 . . . . . 8 . . . 5545 1 287 . 1 1 35 35 ASP N N 15 117.9 0.5 . 1 . . . . . 8 . . . 5545 1 288 . 1 1 36 36 SER C C 13 177.4 0.5 . 1 . . . . . 9 . . . 5545 1 289 . 1 1 36 36 SER CA C 13 61.9 0.5 . 1 . . . . . 9 . . . 5545 1 290 . 1 1 36 36 SER CB C 13 63.2 0.5 . 1 . . . . . 9 . . . 5545 1 291 . 1 1 36 36 SER H H 1 7.65 0.02 . 1 . . . . . 9 . . . 5545 1 292 . 1 1 36 36 SER HA H 1 4.33 0.02 . 1 . . . . . 9 . . . 5545 1 293 . 1 1 36 36 SER HB2 H 1 4.14 0.02 . 1 . . . . . 9 . . . 5545 1 294 . 1 1 36 36 SER HB3 H 1 4.14 0.02 . 1 . . . . . 9 . . . 5545 1 295 . 1 1 36 36 SER N N 15 114.6 0.5 . 1 . . . . . 9 . . . 5545 1 296 . 1 1 37 37 VAL C C 13 178.5 0.5 . 1 . . . . . 10 . . . 5545 1 297 . 1 1 37 37 VAL CA C 13 66.5 0.5 . 1 . . . . . 10 . . . 5545 1 298 . 1 1 37 37 VAL CB C 13 32.0 0.5 . 1 . . . . . 10 . . . 5545 1 299 . 1 1 37 37 VAL CG1 C 13 21.5 0.5 . 2 . . . . . 10 . . . 5545 1 300 . 1 1 37 37 VAL CG2 C 13 23.3 0.5 . 2 . . . . . 10 . . . 5545 1 301 . 1 1 37 37 VAL H H 1 8.18 0.02 . 1 . . . . . 10 . . . 5545 1 302 . 1 1 37 37 VAL HA H 1 3.86 0.02 . 1 . . . . . 10 . . . 5545 1 303 . 1 1 37 37 VAL HB H 1 2.19 0.02 . 1 . . . . . 10 . . . 5545 1 304 . 1 1 37 37 VAL HG11 H 1 1.01 0.02 . 2 . . . . . 10 . . . 5545 1 305 . 1 1 37 37 VAL HG12 H 1 1.01 0.02 . 2 . . . . . 10 . . . 5545 1 306 . 1 1 37 37 VAL HG13 H 1 1.01 0.02 . 2 . . . . . 10 . . . 5545 1 307 . 1 1 37 37 VAL HG21 H 1 1.08 0.02 . 2 . . . . . 10 . . . 5545 1 308 . 1 1 37 37 VAL HG22 H 1 1.08 0.02 . 2 . . . . . 10 . . . 5545 1 309 . 1 1 37 37 VAL HG23 H 1 1.08 0.02 . 2 . . . . . 10 . . . 5545 1 310 . 1 1 37 37 VAL N N 15 123.4 0.5 . 1 . . . . . 10 . . . 5545 1 311 . 1 1 38 38 LEU C C 13 180.3 0.5 . 1 . . . . . 11 . . . 5545 1 312 . 1 1 38 38 LEU CA C 13 58.3 0.5 . 1 . . . . . 11 . . . 5545 1 313 . 1 1 38 38 LEU CB C 13 40.7 0.5 . 1 . . . . . 11 . . . 5545 1 314 . 1 1 38 38 LEU CD1 C 13 25.5 0.5 . 1 . . . . . 11 . . . 5545 1 315 . 1 1 38 38 LEU CD2 C 13 22.4 0.5 . 2 . . . . . 11 . . . 5545 1 316 . 1 1 38 38 LEU CG C 13 27.0 0.5 . 1 . . . . . 11 . . . 5545 1 317 . 1 1 38 38 LEU H H 1 8.76 0.02 . 1 . . . . . 11 . . . 5545 1 318 . 1 1 38 38 LEU HA H 1 3.99 0.02 . 1 . . . . . 11 . . . 5545 1 319 . 1 1 38 38 LEU HB2 H 1 1.45 0.02 . 2 . . . . . 11 . . . 5545 1 320 . 1 1 38 38 LEU HB3 H 1 1.86 0.02 . 2 . . . . . 11 . . . 5545 1 321 . 1 1 38 38 LEU HD11 H 1 0.79 0.02 . 2 . . . . . 11 . . . 5545 1 322 . 1 1 38 38 LEU HD12 H 1 0.79 0.02 . 2 . . . . . 11 . . . 5545 1 323 . 1 1 38 38 LEU HD13 H 1 0.79 0.02 . 2 . . . . . 11 . . . 5545 1 324 . 1 1 38 38 LEU HD21 H 1 0.74 0.02 . 2 . . . . . 11 . . . 5545 1 325 . 1 1 38 38 LEU HD22 H 1 0.74 0.02 . 2 . . . . . 11 . . . 5545 1 326 . 1 1 38 38 LEU HD23 H 1 0.74 0.02 . 2 . . . . . 11 . . . 5545 1 327 . 1 1 38 38 LEU HG H 1 1.84 0.02 . 1 . . . . . 11 . . . 5545 1 328 . 1 1 38 38 LEU N N 15 119.4 0.5 . 1 . . . . . 11 . . . 5545 1 329 . 1 1 39 39 GLN C C 13 179.0 0.5 . 1 . . . . . 12 . . . 5545 1 330 . 1 1 39 39 GLN CA C 13 59.0 0.5 . 1 . . . . . 12 . . . 5545 1 331 . 1 1 39 39 GLN CB C 13 28.5 0.5 . 1 . . . . . 12 . . . 5545 1 332 . 1 1 39 39 GLN CG C 13 34.3 0.5 . 1 . . . . . 12 . . . 5545 1 333 . 1 1 39 39 GLN H H 1 7.87 0.02 . 1 . . . . . 12 . . . 5545 1 334 . 1 1 39 39 GLN HA H 1 4.11 0.02 . 1 . . . . . 12 . . . 5545 1 335 . 1 1 39 39 GLN HB2 H 1 2.19 0.02 . 1 . . . . . 12 . . . 5545 1 336 . 1 1 39 39 GLN HB3 H 1 2.19 0.02 . 1 . . . . . 12 . . . 5545 1 337 . 1 1 39 39 GLN HE21 H 1 6.80 0.02 . 2 . . . . . 12 . . . 5545 1 338 . 1 1 39 39 GLN HE22 H 1 7.42 0.02 . 2 . . . . . 12 . . . 5545 1 339 . 1 1 39 39 GLN HG2 H 1 2.42 0.02 . 2 . . . . . 12 . . . 5545 1 340 . 1 1 39 39 GLN HG3 H 1 2.48 0.02 . 2 . . . . . 12 . . . 5545 1 341 . 1 1 39 39 GLN N N 15 117.8 0.5 . 1 . . . . . 12 . . . 5545 1 342 . 1 1 39 39 GLN NE2 N 15 111.6 0.5 . 1 . . . . . 12 . . . 5545 1 343 . 1 1 40 40 GLN C C 13 178.6 0.5 . 1 . . . . . 13 . . . 5545 1 344 . 1 1 40 40 GLN CA C 13 58.5 0.5 . 1 . . . . . 13 . . . 5545 1 345 . 1 1 40 40 GLN CB C 13 28.7 0.5 . 1 . . . . . 13 . . . 5545 1 346 . 1 1 40 40 GLN CG C 13 34.4 0.5 . 1 . . . . . 13 . . . 5545 1 347 . 1 1 40 40 GLN H H 1 7.84 0.02 . 1 . . . . . 13 . . . 5545 1 348 . 1 1 40 40 GLN HA H 1 4.16 0.02 . 1 . . . . . 13 . . . 5545 1 349 . 1 1 40 40 GLN HB2 H 1 2.16 0.02 . 2 . . . . . 13 . . . 5545 1 350 . 1 1 40 40 GLN HB3 H 1 2.25 0.02 . 2 . . . . . 13 . . . 5545 1 351 . 1 1 40 40 GLN HE21 H 1 6.82 0.02 . 2 . . . . . 13 . . . 5545 1 352 . 1 1 40 40 GLN HE22 H 1 7.49 0.02 . 2 . . . . . 13 . . . 5545 1 353 . 1 1 40 40 GLN HG2 H 1 2.54 0.02 . 1 . . . . . 13 . . . 5545 1 354 . 1 1 40 40 GLN HG3 H 1 2.54 0.02 . 1 . . . . . 13 . . . 5545 1 355 . 1 1 40 40 GLN N N 15 119.7 0.5 . 1 . . . . . 13 . . . 5545 1 356 . 1 1 41 41 LEU C C 13 178.6 0.5 . 1 . . . . . 14 . . . 5545 1 357 . 1 1 41 41 LEU CA C 13 57.5 0.5 . 1 . . . . . 14 . . . 5545 1 358 . 1 1 41 41 LEU CB C 13 42.2 0.5 . 1 . . . . . 14 . . . 5545 1 359 . 1 1 41 41 LEU CD1 C 13 23.5 0.5 . 2 . . . . . 14 . . . 5545 1 360 . 1 1 41 41 LEU CG C 13 26.8 0.5 . 1 . . . . . 14 . . . 5545 1 361 . 1 1 41 41 LEU H H 1 8.17 0.02 . 1 . . . . . 14 . . . 5545 1 362 . 1 1 41 41 LEU HA H 1 4.12 0.02 . 1 . . . . . 14 . . . 5545 1 363 . 1 1 41 41 LEU HB2 H 1 1.57 0.02 . 2 . . . . . 14 . . . 5545 1 364 . 1 1 41 41 LEU HB3 H 1 1.80 0.02 . 2 . . . . . 14 . . . 5545 1 365 . 1 1 41 41 LEU HD11 H 1 0.78 0.02 . 2 . . . . . 14 . . . 5545 1 366 . 1 1 41 41 LEU HD12 H 1 0.78 0.02 . 2 . . . . . 14 . . . 5545 1 367 . 1 1 41 41 LEU HD13 H 1 0.78 0.02 . 2 . . . . . 14 . . . 5545 1 368 . 1 1 41 41 LEU HG H 1 1.81 0.02 . 1 . . . . . 14 . . . 5545 1 369 . 1 1 41 41 LEU N N 15 119.7 0.5 . 1 . . . . . 14 . . . 5545 1 370 . 1 1 42 42 GLN C C 13 177.3 0.5 . 1 . . . . . 15 . . . 5545 1 371 . 1 1 42 42 GLN CA C 13 57.5 0.5 . 1 . . . . . 15 . . . 5545 1 372 . 1 1 42 42 GLN CB C 13 28.9 0.5 . 1 . . . . . 15 . . . 5545 1 373 . 1 1 42 42 GLN CG C 13 34.4 0.5 . 1 . . . . . 15 . . . 5545 1 374 . 1 1 42 42 GLN H H 1 7.83 0.02 . 1 . . . . . 15 . . . 5545 1 375 . 1 1 42 42 GLN HA H 1 4.19 0.02 . 1 . . . . . 15 . . . 5545 1 376 . 1 1 42 42 GLN HB2 H 1 2.18 0.02 . 1 . . . . . 15 . . . 5545 1 377 . 1 1 42 42 GLN HB3 H 1 2.18 0.02 . 1 . . . . . 15 . . . 5545 1 378 . 1 1 42 42 GLN HG2 H 1 2.45 0.02 . 1 . . . . . 15 . . . 5545 1 379 . 1 1 42 42 GLN HG3 H 1 2.45 0.02 . 1 . . . . . 15 . . . 5545 1 380 . 1 1 42 42 GLN N N 15 116.4 0.5 . 1 . . . . . 15 . . . 5545 1 381 . 1 1 43 43 THR C C 13 175.4 0.5 . 1 . . . . . 16 . . . 5545 1 382 . 1 1 43 43 THR CA C 13 62.7 0.5 . 1 . . . . . 16 . . . 5545 1 383 . 1 1 43 43 THR CB C 13 69.8 0.5 . 1 . . . . . 16 . . . 5545 1 384 . 1 1 43 43 THR CG2 C 13 21.9 0.5 . 2 . . . . . 16 . . . 5545 1 385 . 1 1 43 43 THR H H 1 7.73 0.02 . 1 . . . . . 16 . . . 5545 1 386 . 1 1 43 43 THR HA H 1 4.42 0.02 . 1 . . . . . 16 . . . 5545 1 387 . 1 1 43 43 THR HB H 1 4.39 0.02 . 1 . . . . . 16 . . . 5545 1 388 . 1 1 43 43 THR HG21 H 1 1.28 0.02 . 1 . . . . . 16 . . . 5545 1 389 . 1 1 43 43 THR HG22 H 1 1.28 0.02 . 1 . . . . . 16 . . . 5545 1 390 . 1 1 43 43 THR HG23 H 1 1.28 0.02 . 1 . . . . . 16 . . . 5545 1 391 . 1 1 43 43 THR N N 15 110.5 0.5 . 1 . . . . . 16 . . . 5545 1 392 . 1 1 44 44 GLU C C 13 177.1 0.5 . 1 . . . . . 17 . . . 5545 1 393 . 1 1 44 44 GLU CA C 13 57.4 0.5 . 1 . . . . . 17 . . . 5545 1 394 . 1 1 44 44 GLU CB C 13 29.2 0.5 . 1 . . . . . 17 . . . 5545 1 395 . 1 1 44 44 GLU CG C 13 35.6 0.5 . 1 . . . . . 17 . . . 5545 1 396 . 1 1 44 44 GLU H H 1 8.19 0.02 . 1 . . . . . 17 . . . 5545 1 397 . 1 1 44 44 GLU HA H 1 4.28 0.02 . 1 . . . . . 17 . . . 5545 1 398 . 1 1 44 44 GLU HB2 H 1 2.05 0.02 . 1 . . . . . 17 . . . 5545 1 399 . 1 1 44 44 GLU HB3 H 1 2.05 0.02 . 1 . . . . . 17 . . . 5545 1 400 . 1 1 44 44 GLU HG2 H 1 2.34 0.02 . 1 . . . . . 17 . . . 5545 1 401 . 1 1 44 44 GLU HG3 H 1 2.34 0.02 . 1 . . . . . 17 . . . 5545 1 402 . 1 1 44 44 GLU N N 15 121.1 0.5 . 1 . . . . . 17 . . . 5545 1 403 . 1 1 45 45 VAL C C 13 176.8 0.5 . 1 . . . . . 18 . . . 5545 1 404 . 1 1 45 45 VAL CA C 13 64.0 0.5 . 1 . . . . . 18 . . . 5545 1 405 . 1 1 45 45 VAL CB C 13 32.2 0.5 . 1 . . . . . 18 . . . 5545 1 406 . 1 1 45 45 VAL CG1 C 13 21.4 0.5 . 1 . . . . . 18 . . . 5545 1 407 . 1 1 45 45 VAL CG2 C 13 21.4 0.5 . 1 . . . . . 18 . . . 5545 1 408 . 1 1 45 45 VAL H H 1 7.99 0.02 . 1 . . . . . 18 . . . 5545 1 409 . 1 1 45 45 VAL HA H 1 3.91 0.02 . 1 . . . . . 18 . . . 5545 1 410 . 1 1 45 45 VAL HB H 1 1.96 0.02 . 1 . . . . . 18 . . . 5545 1 411 . 1 1 45 45 VAL HG11 H 1 0.76 0.02 . 2 . . . . . 18 . . . 5545 1 412 . 1 1 45 45 VAL HG12 H 1 0.76 0.02 . 2 . . . . . 18 . . . 5545 1 413 . 1 1 45 45 VAL HG13 H 1 0.76 0.02 . 2 . . . . . 18 . . . 5545 1 414 . 1 1 45 45 VAL HG21 H 1 0.88 0.02 . 2 . . . . . 18 . . . 5545 1 415 . 1 1 45 45 VAL HG22 H 1 0.88 0.02 . 2 . . . . . 18 . . . 5545 1 416 . 1 1 45 45 VAL HG23 H 1 0.88 0.02 . 2 . . . . . 18 . . . 5545 1 417 . 1 1 45 45 VAL N N 15 119.6 0.5 . 1 . . . . . 18 . . . 5545 1 418 . 1 1 46 46 TYR C C 13 176.4 0.5 . 1 . . . . . 19 . . . 5545 1 419 . 1 1 46 46 TYR CA C 13 58.7 0.5 . 1 . . . . . 19 . . . 5545 1 420 . 1 1 46 46 TYR CB C 13 38.5 0.5 . 1 . . . . . 19 . . . 5545 1 421 . 1 1 46 46 TYR CD1 C 13 133.3 0.5 . 3 . . . . . 19 . . . 5545 1 422 . 1 1 46 46 TYR CE1 C 13 118.7 0.5 . 3 . . . . . 19 . . . 5545 1 423 . 1 1 46 46 TYR H H 1 8.05 0.02 . 1 . . . . . 19 . . . 5545 1 424 . 1 1 46 46 TYR HA H 1 4.58 0.02 . 1 . . . . . 19 . . . 5545 1 425 . 1 1 46 46 TYR HB2 H 1 2.98 0.02 . 1 . . . . . 19 . . . 5545 1 426 . 1 1 46 46 TYR HB3 H 1 3.06 0.02 . 1 . . . . . 19 . . . 5545 1 427 . 1 1 46 46 TYR HD2 H 1 7.08 0.02 . 3 . . . . . 19 . . . 5545 1 428 . 1 1 46 46 TYR HE1 H 1 6.79 0.02 . 3 . . . . . 19 . . . 5545 1 429 . 1 1 46 46 TYR N N 15 121.3 0.5 . 1 . . . . . 19 . . . 5545 1 430 . 1 1 47 47 ARG C C 13 176.9 0.5 . 1 . . . . . 20 . . . 5545 1 431 . 1 1 47 47 ARG CA C 13 56.7 0.5 . 1 . . . . . 20 . . . 5545 1 432 . 1 1 47 47 ARG CB C 13 30.6 0.5 . 1 . . . . . 20 . . . 5545 1 433 . 1 1 47 47 ARG CD C 13 43.7 0.5 . 1 . . . . . 20 . . . 5545 1 434 . 1 1 47 47 ARG CG C 13 27.6 0.5 . 1 . . . . . 20 . . . 5545 1 435 . 1 1 47 47 ARG H H 1 8.08 0.02 . 1 . . . . . 20 . . . 5545 1 436 . 1 1 47 47 ARG HA H 1 4.27 0.02 . 1 . . . . . 20 . . . 5545 1 437 . 1 1 47 47 ARG HB2 H 1 1.77 0.02 . 1 . . . . . 20 . . . 5545 1 438 . 1 1 47 47 ARG HB3 H 1 1.77 0.02 . 1 . . . . . 20 . . . 5545 1 439 . 1 1 47 47 ARG HD2 H 1 3.03 0.02 . 1 . . . . . 20 . . . 5545 1 440 . 1 1 47 47 ARG HD3 H 1 3.03 0.02 . 1 . . . . . 20 . . . 5545 1 441 . 1 1 47 47 ARG HE H 1 7.23 0.02 . 1 . . . . . 20 . . . 5545 1 442 . 1 1 47 47 ARG HG2 H 1 1.58 0.02 . 1 . . . . . 20 . . . 5545 1 443 . 1 1 47 47 ARG HG3 H 1 1.58 0.02 . 1 . . . . . 20 . . . 5545 1 444 . 1 1 47 47 ARG HH21 H 1 6.71 0.02 . 2 . . . . . 20 . . . 5545 1 445 . 1 1 47 47 ARG N N 15 122.6 0.5 . 1 . . . . . 20 . . . 5545 1 446 . 1 1 48 48 GLY C C 13 174.2 0.5 . 1 . . . . . 21 . . . 5545 1 447 . 1 1 48 48 GLY CA C 13 45.8 0.5 . 1 . . . . . 21 . . . 5545 1 448 . 1 1 48 48 GLY H H 1 7.73 0.02 . 1 . . . . . 21 . . . 5545 1 449 . 1 1 48 48 GLY HA2 H 1 3.86 0.02 . 1 . . . . . 21 . . . 5545 1 450 . 1 1 48 48 GLY HA3 H 1 3.86 0.02 . 1 . . . . . 21 . . . 5545 1 451 . 1 1 48 48 GLY N N 15 108.8 0.5 . 1 . . . . . 21 . . . 5545 1 452 . 1 1 49 49 ALA C C 13 178.2 0.5 . 1 . . . . . 22 . . . 5545 1 453 . 1 1 49 49 ALA CA C 13 53.0 0.5 . 1 . . . . . 22 . . . 5545 1 454 . 1 1 49 49 ALA CB C 13 19.6 0.5 . 1 . . . . . 22 . . . 5545 1 455 . 1 1 49 49 ALA H H 1 8.05 0.02 . 1 . . . . . 22 . . . 5545 1 456 . 1 1 49 49 ALA HA H 1 4.31 0.02 . 1 . . . . . 22 . . . 5545 1 457 . 1 1 49 49 ALA HB1 H 1 1.38 0.02 . 1 . . . . . 22 . . . 5545 1 458 . 1 1 49 49 ALA HB2 H 1 1.38 0.02 . 1 . . . . . 22 . . . 5545 1 459 . 1 1 49 49 ALA HB3 H 1 1.38 0.02 . 1 . . . . . 22 . . . 5545 1 460 . 1 1 49 49 ALA N N 15 123.4 0.5 . 1 . . . . . 22 . . . 5545 1 461 . 1 1 50 50 GLN C C 13 176.5 0.5 . 1 . . . . . 23 . . . 5545 1 462 . 1 1 50 50 GLN CA C 13 56.8 0.5 . 1 . . . . . 23 . . . 5545 1 463 . 1 1 50 50 GLN CB C 13 30.1 0.5 . 1 . . . . . 23 . . . 5545 1 464 . 1 1 50 50 GLN CG C 13 33.3 0.5 . 1 . . . . . 23 . . . 5545 1 465 . 1 1 50 50 GLN H H 1 8.42 0.02 . 1 . . . . . 23 . . . 5545 1 466 . 1 1 50 50 GLN HA H 1 4.37 0.02 . 1 . . . . . 23 . . . 5545 1 467 . 1 1 50 50 GLN HB2 H 1 2.14 0.02 . 1 . . . . . 23 . . . 5545 1 468 . 1 1 50 50 GLN HB3 H 1 2.14 0.02 . 1 . . . . . 23 . . . 5545 1 469 . 1 1 50 50 GLN HG2 H 1 2.39 0.02 . 1 . . . . . 23 . . . 5545 1 470 . 1 1 50 50 GLN HG3 H 1 2.39 0.02 . 1 . . . . . 23 . . . 5545 1 471 . 1 1 50 50 GLN N N 15 119.6 0.5 . 1 . . . . . 23 . . . 5545 1 472 . 1 1 51 51 THR C C 13 173.9 0.5 . 1 . . . . . 24 . . . 5545 1 473 . 1 1 51 51 THR CA C 13 61.6 0.5 . 1 . . . . . 24 . . . 5545 1 474 . 1 1 51 51 THR CB C 13 69.9 0.5 . 1 . . . . . 24 . . . 5545 1 475 . 1 1 51 51 THR CG2 C 13 22.1 0.5 . 2 . . . . . 24 . . . 5545 1 476 . 1 1 51 51 THR H H 1 8.16 0.02 . 1 . . . . . 24 . . . 5545 1 477 . 1 1 51 51 THR HA H 1 4.73 0.02 . 1 . . . . . 24 . . . 5545 1 478 . 1 1 51 51 THR HB H 1 4.15 0.02 . 1 . . . . . 24 . . . 5545 1 479 . 1 1 51 51 THR HG21 H 1 1.19 0.02 . 1 . . . . . 24 . . . 5545 1 480 . 1 1 51 51 THR HG22 H 1 1.19 0.02 . 1 . . . . . 24 . . . 5545 1 481 . 1 1 51 51 THR HG23 H 1 1.19 0.02 . 1 . . . . . 24 . . . 5545 1 482 . 1 1 51 51 THR N N 15 114.0 0.5 . 1 . . . . . 24 . . . 5545 1 483 . 1 1 52 52 LEU C C 13 175.9 0.5 . 1 . . . . . 25 . . . 5545 1 484 . 1 1 52 52 LEU CA C 13 54.7 0.5 . 1 . . . . . 25 . . . 5545 1 485 . 1 1 52 52 LEU CB C 13 45.1 0.5 . 1 . . . . . 25 . . . 5545 1 486 . 1 1 52 52 LEU CD1 C 13 25.3 0.5 . 1 . . . . . 25 . . . 5545 1 487 . 1 1 52 52 LEU CD2 C 13 25.3 0.5 . 1 . . . . . 25 . . . 5545 1 488 . 1 1 52 52 LEU CG C 13 26.9 0.5 . 1 . . . . . 25 . . . 5545 1 489 . 1 1 52 52 LEU H H 1 8.63 0.02 . 1 . . . . . 25 . . . 5545 1 490 . 1 1 52 52 LEU HA H 1 4.61 0.02 . 1 . . . . . 25 . . . 5545 1 491 . 1 1 52 52 LEU HB2 H 1 1.49 0.02 . 1 . . . . . 25 . . . 5545 1 492 . 1 1 52 52 LEU HB3 H 1 1.49 0.02 . 1 . . . . . 25 . . . 5545 1 493 . 1 1 52 52 LEU HD11 H 1 0.70 0.02 . 2 . . . . . 25 . . . 5545 1 494 . 1 1 52 52 LEU HD12 H 1 0.70 0.02 . 2 . . . . . 25 . . . 5545 1 495 . 1 1 52 52 LEU HD13 H 1 0.70 0.02 . 2 . . . . . 25 . . . 5545 1 496 . 1 1 52 52 LEU HG H 1 1.47 0.02 . 1 . . . . . 25 . . . 5545 1 497 . 1 1 52 52 LEU N N 15 124.0 0.5 . 1 . . . . . 25 . . . 5545 1 498 . 1 1 53 53 TYR C C 13 173.0 0.5 . 1 . . . . . 26 . . . 5545 1 499 . 1 1 53 53 TYR CA C 13 55.9 0.5 . 1 . . . . . 26 . . . 5545 1 500 . 1 1 53 53 TYR CB C 13 38.7 0.5 . 1 . . . . . 26 . . . 5545 1 501 . 1 1 53 53 TYR CD1 C 13 133.1 0.5 . 3 . . . . . 26 . . . 5545 1 502 . 1 1 53 53 TYR CE1 C 13 118.0 0.5 . 3 . . . . . 26 . . . 5545 1 503 . 1 1 53 53 TYR H H 1 8.39 0.02 . 1 . . . . . 26 . . . 5545 1 504 . 1 1 53 53 TYR HA H 1 5.14 0.02 . 1 . . . . . 26 . . . 5545 1 505 . 1 1 53 53 TYR HB2 H 1 2.99 0.02 . 2 . . . . . 26 . . . 5545 1 506 . 1 1 53 53 TYR HB3 H 1 3.15 0.02 . 2 . . . . . 26 . . . 5545 1 507 . 1 1 53 53 TYR HD1 H 1 7.19 0.02 . 1 . . . . . 26 . . . 5545 1 508 . 1 1 53 53 TYR HD2 H 1 7.19 0.02 . 1 . . . . . 26 . . . 5545 1 509 . 1 1 53 53 TYR HE1 H 1 6.99 0.02 . 1 . . . . . 26 . . . 5545 1 510 . 1 1 53 53 TYR HE2 H 1 6.99 0.02 . 1 . . . . . 26 . . . 5545 1 511 . 1 1 53 53 TYR N N 15 121.7 0.5 . 1 . . . . . 26 . . . 5545 1 512 . 1 1 54 54 VAL C C 13 173.9 0.5 . 1 . . . . . 27 . . . 5545 1 513 . 1 1 54 54 VAL CA C 13 59.1 0.5 . 1 . . . . . 27 . . . 5545 1 514 . 1 1 54 54 VAL CB C 13 32.2 0.5 . 1 . . . . . 27 . . . 5545 1 515 . 1 1 54 54 VAL CG1 C 13 21.6 0.5 . 2 . . . . . 27 . . . 5545 1 516 . 1 1 54 54 VAL CG2 C 13 20.8 0.5 . 2 . . . . . 27 . . . 5545 1 517 . 1 1 54 54 VAL H H 1 8.62 0.02 . 1 . . . . . 27 . . . 5545 1 518 . 1 1 54 54 VAL HA H 1 4.01 0.02 . 1 . . . . . 27 . . . 5545 1 519 . 1 1 54 54 VAL HB H 1 1.83 0.02 . 1 . . . . . 27 . . . 5545 1 520 . 1 1 54 54 VAL HG11 H 1 0.69 0.02 . 1 . . . . . 27 . . . 5545 1 521 . 1 1 54 54 VAL HG12 H 1 0.69 0.02 . 1 . . . . . 27 . . . 5545 1 522 . 1 1 54 54 VAL HG13 H 1 0.69 0.02 . 1 . . . . . 27 . . . 5545 1 523 . 1 1 54 54 VAL HG21 H 1 0.69 0.02 . 1 . . . . . 27 . . . 5545 1 524 . 1 1 54 54 VAL HG22 H 1 0.69 0.02 . 1 . . . . . 27 . . . 5545 1 525 . 1 1 54 54 VAL HG23 H 1 0.69 0.02 . 1 . . . . . 27 . . . 5545 1 526 . 1 1 54 54 VAL N N 15 130.5 0.5 . 1 . . . . . 27 . . . 5545 1 527 . 1 1 55 55 PRO C C 13 173.3 0.5 . 1 . . . . . 28 . . . 5545 1 528 . 1 1 55 55 PRO CA C 13 63.3 0.5 . 1 . . . . . 28 . . . 5545 1 529 . 1 1 55 55 PRO CB C 13 33.3 0.5 . 1 . . . . . 28 . . . 5545 1 530 . 1 1 55 55 PRO CD C 13 50.1 0.5 . 1 . . . . . 28 . . . 5545 1 531 . 1 1 55 55 PRO CG C 13 25.8 0.5 . 1 . . . . . 28 . . . 5545 1 532 . 1 1 55 55 PRO HA H 1 4.09 0.02 . 1 . . . . . 28 . . . 5545 1 533 . 1 1 55 55 PRO HB2 H 1 1.70 0.02 . 2 . . . . . 28 . . . 5545 1 534 . 1 1 55 55 PRO HB3 H 1 1.97 0.02 . 2 . . . . . 28 . . . 5545 1 535 . 1 1 55 55 PRO HD2 H 1 3.01 0.02 . 2 . . . . . 28 . . . 5545 1 536 . 1 1 55 55 PRO HD3 H 1 3.15 0.02 . 2 . . . . . 28 . . . 5545 1 537 . 1 1 55 55 PRO HG2 H 1 1.12 0.02 . 1 . . . . . 28 . . . 5545 1 538 . 1 1 55 55 PRO HG3 H 1 1.12 0.02 . 1 . . . . . 28 . . . 5545 1 539 . 1 1 56 56 ASN C C 13 175.6 0.5 . 1 . . . . . 29 . . . 5545 1 540 . 1 1 56 56 ASN CA C 13 52.0 0.5 . 1 . . . . . 29 . . . 5545 1 541 . 1 1 56 56 ASN CB C 13 39.5 0.5 . 1 . . . . . 29 . . . 5545 1 542 . 1 1 56 56 ASN H H 1 8.96 0.02 . 1 . . . . . 29 . . . 5545 1 543 . 1 1 56 56 ASN HA H 1 4.87 0.02 . 1 . . . . . 29 . . . 5545 1 544 . 1 1 56 56 ASN HB2 H 1 2.91 0.02 . 1 . . . . . 29 . . . 5545 1 545 . 1 1 56 56 ASN HB3 H 1 2.91 0.02 . 1 . . . . . 29 . . . 5545 1 546 . 1 1 56 56 ASN HD22 H 1 6.97 0.02 . 2 . . . . . 29 . . . 5545 1 547 . 1 1 56 56 ASN N N 15 119.6 0.5 . 1 . . . . . 29 . . . 5545 1 548 . 1 1 57 57 CYS C C 13 175.5 0.5 . 1 . . . . . 30 . . . 5545 1 549 . 1 1 57 57 CYS CA C 13 51.8 0.5 . 1 . . . . . 30 . . . 5545 1 550 . 1 1 57 57 CYS CB C 13 38.4 0.5 . 1 . . . . . 30 . . . 5545 1 551 . 1 1 57 57 CYS H H 1 8.94 0.02 . 1 . . . . . 30 . . . 5545 1 552 . 1 1 57 57 CYS HA H 1 5.41 0.02 . 1 . . . . . 30 . . . 5545 1 553 . 1 1 57 57 CYS HB2 H 1 2.51 0.02 . 2 . . . . . 30 . . . 5545 1 554 . 1 1 57 57 CYS HB3 H 1 3.15 0.02 . 2 . . . . . 30 . . . 5545 1 555 . 1 1 57 57 CYS N N 15 125.0 0.5 . 1 . . . . . 30 . . . 5545 1 556 . 1 1 58 58 ASP C C 13 178.0 0.5 . 1 . . . . . 31 . . . 5545 1 557 . 1 1 58 58 ASP CA C 13 52.6 0.5 . 1 . . . . . 31 . . . 5545 1 558 . 1 1 58 58 ASP CB C 13 41.4 0.5 . 1 . . . . . 31 . . . 5545 1 559 . 1 1 58 58 ASP H H 1 8.99 0.02 . 1 . . . . . 31 . . . 5545 1 560 . 1 1 58 58 ASP HA H 1 4.55 0.02 . 1 . . . . . 31 . . . 5545 1 561 . 1 1 58 58 ASP HB2 H 1 2.42 0.02 . 2 . . . . . 31 . . . 5545 1 562 . 1 1 58 58 ASP HB3 H 1 3.41 0.02 . 2 . . . . . 31 . . . 5545 1 563 . 1 1 58 58 ASP N N 15 120.9 0.5 . 1 . . . . . 31 . . . 5545 1 564 . 1 1 59 59 HIS C C 13 176.3 0.5 . 1 . . . . . 32 . . . 5545 1 565 . 1 1 59 59 HIS CA C 13 58.2 0.5 . 1 . . . . . 32 . . . 5545 1 566 . 1 1 59 59 HIS CB C 13 28.4 0.5 . 1 . . . . . 32 . . . 5545 1 567 . 1 1 59 59 HIS H H 1 8.60 0.02 . 1 . . . . . 32 . . . 5545 1 568 . 1 1 59 59 HIS HA H 1 4.44 0.02 . 1 . . . . . 32 . . . 5545 1 569 . 1 1 59 59 HIS HB2 H 1 3.26 0.02 . 1 . . . . . 32 . . . 5545 1 570 . 1 1 59 59 HIS HB3 H 1 3.26 0.02 . 1 . . . . . 32 . . . 5545 1 571 . 1 1 59 59 HIS HD2 H 1 7.26 0.02 . 4 . . . . . 32 . . . 5545 1 572 . 1 1 59 59 HIS N N 15 114.4 0.5 . 1 . . . . . 32 . . . 5545 1 573 . 1 1 60 60 ARG C C 13 175.9 0.5 . 1 . . . . . 33 . . . 5545 1 574 . 1 1 60 60 ARG CA C 13 55.9 0.5 . 1 . . . . . 33 . . . 5545 1 575 . 1 1 60 60 ARG CB C 13 30.8 0.5 . 1 . . . . . 33 . . . 5545 1 576 . 1 1 60 60 ARG CD C 13 43.2 0.5 . 1 . . . . . 33 . . . 5545 1 577 . 1 1 60 60 ARG CG C 13 27.9 0.5 . 1 . . . . . 33 . . . 5545 1 578 . 1 1 60 60 ARG H H 1 8.21 0.02 . 1 . . . . . 33 . . . 5545 1 579 . 1 1 60 60 ARG HA H 1 4.43 0.02 . 1 . . . . . 33 . . . 5545 1 580 . 1 1 60 60 ARG HB2 H 1 2.04 0.02 . 2 . . . . . 33 . . . 5545 1 581 . 1 1 60 60 ARG HB3 H 1 2.25 0.02 . 2 . . . . . 33 . . . 5545 1 582 . 1 1 60 60 ARG HD2 H 1 3.22 0.02 . 1 . . . . . 33 . . . 5545 1 583 . 1 1 60 60 ARG HD3 H 1 3.22 0.02 . 1 . . . . . 33 . . . 5545 1 584 . 1 1 60 60 ARG HE H 1 7.24 0.02 . 1 . . . . . 33 . . . 5545 1 585 . 1 1 60 60 ARG HG2 H 1 1.59 0.02 . 1 . . . . . 33 . . . 5545 1 586 . 1 1 60 60 ARG HG3 H 1 1.59 0.02 . 1 . . . . . 33 . . . 5545 1 587 . 1 1 60 60 ARG N N 15 118.7 0.5 . 1 . . . . . 33 . . . 5545 1 588 . 1 1 61 61 GLY C C 13 174.9 0.5 . 1 . . . . . 34 . . . 5545 1 589 . 1 1 61 61 GLY CA C 13 46.6 0.5 . 1 . . . . . 34 . . . 5545 1 590 . 1 1 61 61 GLY H H 1 8.10 0.02 . 1 . . . . . 34 . . . 5545 1 591 . 1 1 61 61 GLY HA2 H 1 3.48 0.02 . 2 . . . . . 34 . . . 5545 1 592 . 1 1 61 61 GLY HA3 H 1 4.07 0.02 . 2 . . . . . 34 . . . 5545 1 593 . 1 1 61 61 GLY N N 15 106.5 0.5 . 1 . . . . . 34 . . . 5545 1 594 . 1 1 62 62 PHE C C 13 175.4 0.5 . 1 . . . . . 35 . . . 5545 1 595 . 1 1 62 62 PHE CA C 13 58.8 0.5 . 1 . . . . . 35 . . . 5545 1 596 . 1 1 62 62 PHE CB C 13 38.6 0.5 . 1 . . . . . 35 . . . 5545 1 597 . 1 1 62 62 PHE H H 1 9.03 0.02 . 1 . . . . . 35 . . . 5545 1 598 . 1 1 62 62 PHE HA H 1 4.37 0.02 . 1 . . . . . 35 . . . 5545 1 599 . 1 1 62 62 PHE HB2 H 1 3.50 0.02 . 2 . . . . . 35 . . . 5545 1 600 . 1 1 62 62 PHE HB3 H 1 3.57 0.02 . 2 . . . . . 35 . . . 5545 1 601 . 1 1 62 62 PHE HD1 H 1 7.32 0.02 . 1 . . . . . 35 . . . 5545 1 602 . 1 1 62 62 PHE HD2 H 1 7.32 0.02 . 1 . . . . . 35 . . . 5545 1 603 . 1 1 62 62 PHE N N 15 123.0 0.5 . 1 . . . . . 35 . . . 5545 1 604 . 1 1 63 63 TYR C C 13 179.7 0.5 . 1 . . . . . 36 . . . 5545 1 605 . 1 1 63 63 TYR CA C 13 60.7 0.5 . 1 . . . . . 36 . . . 5545 1 606 . 1 1 63 63 TYR CB C 13 38.5 0.5 . 1 . . . . . 36 . . . 5545 1 607 . 1 1 63 63 TYR CE1 C 13 118.0 0.5 . 3 . . . . . 36 . . . 5545 1 608 . 1 1 63 63 TYR H H 1 9.17 0.02 . 1 . . . . . 36 . . . 5545 1 609 . 1 1 63 63 TYR HA H 1 4.52 0.02 . 1 . . . . . 36 . . . 5545 1 610 . 1 1 63 63 TYR HB2 H 1 2.90 0.02 . 2 . . . . . 36 . . . 5545 1 611 . 1 1 63 63 TYR HB3 H 1 3.18 0.02 . 2 . . . . . 36 . . . 5545 1 612 . 1 1 63 63 TYR HD1 H 1 7.15 0.02 . 1 . . . . . 36 . . . 5545 1 613 . 1 1 63 63 TYR HD2 H 1 7.15 0.02 . 1 . . . . . 36 . . . 5545 1 614 . 1 1 63 63 TYR HE1 H 1 6.98 0.02 . 1 . . . . . 36 . . . 5545 1 615 . 1 1 63 63 TYR HE2 H 1 6.98 0.02 . 1 . . . . . 36 . . . 5545 1 616 . 1 1 63 63 TYR N N 15 119.9 0.5 . 1 . . . . . 36 . . . 5545 1 617 . 1 1 64 64 ARG C C 13 176.1 0.5 . 1 . . . . . 37 . . . 5545 1 618 . 1 1 64 64 ARG CA C 13 57.0 0.5 . 1 . . . . . 37 . . . 5545 1 619 . 1 1 64 64 ARG CB C 13 30.6 0.5 . 1 . . . . . 37 . . . 5545 1 620 . 1 1 64 64 ARG H H 1 8.15 0.02 . 1 . . . . . 37 . . . 5545 1 621 . 1 1 64 64 ARG HA H 1 4.29 0.02 . 1 . . . . . 37 . . . 5545 1 622 . 1 1 64 64 ARG HB2 H 1 1.43 0.02 . 2 . . . . . 37 . . . 5545 1 623 . 1 1 64 64 ARG HB3 H 1 2.02 0.02 . 2 . . . . . 37 . . . 5545 1 624 . 1 1 64 64 ARG HD2 H 1 3.08 0.02 . 1 . . . . . 37 . . . 5545 1 625 . 1 1 64 64 ARG HD3 H 1 3.08 0.02 . 1 . . . . . 37 . . . 5545 1 626 . 1 1 64 64 ARG HG2 H 1 1.42 0.02 . 1 . . . . . 37 . . . 5545 1 627 . 1 1 64 64 ARG HG3 H 1 1.57 0.02 . 1 . . . . . 37 . . . 5545 1 628 . 1 1 64 64 ARG N N 15 122.9 0.5 . 1 . . . . . 37 . . . 5545 1 629 . 1 1 65 65 LYS C C 13 176.6 0.5 . 1 . . . . . 38 . . . 5545 1 630 . 1 1 65 65 LYS CA C 13 59.8 0.5 . 1 . . . . . 38 . . . 5545 1 631 . 1 1 65 65 LYS CB C 13 33.4 0.5 . 1 . . . . . 38 . . . 5545 1 632 . 1 1 65 65 LYS CD C 13 29.5 0.5 . 1 . . . . . 38 . . . 5545 1 633 . 1 1 65 65 LYS CE C 13 42.6 0.5 . 1 . . . . . 38 . . . 5545 1 634 . 1 1 65 65 LYS CG C 13 25.1 0.5 . 1 . . . . . 38 . . . 5545 1 635 . 1 1 65 65 LYS H H 1 8.28 0.02 . 1 . . . . . 38 . . . 5545 1 636 . 1 1 65 65 LYS HA H 1 4.50 0.02 . 1 . . . . . 38 . . . 5545 1 637 . 1 1 65 65 LYS HB2 H 1 1.76 0.02 . 2 . . . . . 38 . . . 5545 1 638 . 1 1 65 65 LYS HB3 H 1 1.80 0.02 . 2 . . . . . 38 . . . 5545 1 639 . 1 1 65 65 LYS HD2 H 1 1.66 0.02 . 1 . . . . . 38 . . . 5545 1 640 . 1 1 65 65 LYS HD3 H 1 1.66 0.02 . 1 . . . . . 38 . . . 5545 1 641 . 1 1 65 65 LYS HE2 H 1 3.02 0.02 . 1 . . . . . 38 . . . 5545 1 642 . 1 1 65 65 LYS HE3 H 1 3.02 0.02 . 1 . . . . . 38 . . . 5545 1 643 . 1 1 65 65 LYS HG2 H 1 1.51 0.02 . 2 . . . . . 38 . . . 5545 1 644 . 1 1 65 65 LYS HG3 H 1 1.69 0.02 . 2 . . . . . 38 . . . 5545 1 645 . 1 1 65 65 LYS N N 15 119.8 0.5 . 1 . . . . . 38 . . . 5545 1 646 . 1 1 66 66 ARG C C 13 175.6 0.5 . 1 . . . . . 39 . . . 5545 1 647 . 1 1 66 66 ARG CA C 13 56.1 0.5 . 1 . . . . . 39 . . . 5545 1 648 . 1 1 66 66 ARG CB C 13 31.6 0.5 . 1 . . . . . 39 . . . 5545 1 649 . 1 1 66 66 ARG CD C 13 43.9 0.5 . 1 . . . . . 39 . . . 5545 1 650 . 1 1 66 66 ARG CG C 13 28.6 0.5 . 1 . . . . . 39 . . . 5545 1 651 . 1 1 66 66 ARG H H 1 7.76 0.02 . 1 . . . . . 39 . . . 5545 1 652 . 1 1 66 66 ARG HA H 1 4.71 0.02 . 1 . . . . . 39 . . . 5545 1 653 . 1 1 66 66 ARG HB2 H 1 1.40 0.02 . 2 . . . . . 39 . . . 5545 1 654 . 1 1 66 66 ARG HB3 H 1 1.73 0.02 . 2 . . . . . 39 . . . 5545 1 655 . 1 1 66 66 ARG HD2 H 1 3.00 0.02 . 1 . . . . . 39 . . . 5545 1 656 . 1 1 66 66 ARG HD3 H 1 3.00 0.02 . 1 . . . . . 39 . . . 5545 1 657 . 1 1 66 66 ARG HE H 1 6.55 0.02 . 1 . . . . . 39 . . . 5545 1 658 . 1 1 66 66 ARG HG2 H 1 1.43 0.02 . 1 . . . . . 39 . . . 5545 1 659 . 1 1 66 66 ARG HG3 H 1 1.43 0.02 . 1 . . . . . 39 . . . 5545 1 660 . 1 1 66 66 ARG HH11 H 1 6.67 0.02 . 1 . . . . . 39 . . . 5545 1 661 . 1 1 66 66 ARG N N 15 114.8 0.5 . 1 . . . . . 39 . . . 5545 1 662 . 1 1 67 67 GLN C C 13 173.7 0.5 . 1 . . . . . 40 . . . 5545 1 663 . 1 1 67 67 GLN CA C 13 52.6 0.5 . 1 . . . . . 40 . . . 5545 1 664 . 1 1 67 67 GLN CB C 13 29.3 0.5 . 1 . . . . . 40 . . . 5545 1 665 . 1 1 67 67 GLN CG C 13 33.9 0.5 . 1 . . . . . 40 . . . 5545 1 666 . 1 1 67 67 GLN H H 1 8.57 0.02 . 1 . . . . . 40 . . . 5545 1 667 . 1 1 67 67 GLN HA H 1 4.31 0.02 . 1 . . . . . 40 . . . 5545 1 668 . 1 1 67 67 GLN HB2 H 1 -0.07 0.02 . 2 . . . . . 40 . . . 5545 1 669 . 1 1 67 67 GLN HB3 H 1 1.45 0.02 . 2 . . . . . 40 . . . 5545 1 670 . 1 1 67 67 GLN HG2 H 1 2.18 0.02 . 2 . . . . . 40 . . . 5545 1 671 . 1 1 67 67 GLN HG3 H 1 2.30 0.02 . 2 . . . . . 40 . . . 5545 1 672 . 1 1 67 67 GLN N N 15 126.3 0.5 . 1 . . . . . 40 . . . 5545 1 673 . 1 1 68 68 CYS C C 13 175.2 0.5 . 1 . . . . . 41 . . . 5545 1 674 . 1 1 68 68 CYS CA C 13 55.7 0.5 . 1 . . . . . 41 . . . 5545 1 675 . 1 1 68 68 CYS CB C 13 49.8 0.5 . 1 . . . . . 41 . . . 5545 1 676 . 1 1 68 68 CYS H H 1 8.31 0.02 . 1 . . . . . 41 . . . 5545 1 677 . 1 1 68 68 CYS HA H 1 5.11 0.02 . 1 . . . . . 41 . . . 5545 1 678 . 1 1 68 68 CYS HB2 H 1 2.73 0.02 . 2 . . . . . 41 . . . 5545 1 679 . 1 1 68 68 CYS HB3 H 1 3.03 0.02 . 2 . . . . . 41 . . . 5545 1 680 . 1 1 68 68 CYS N N 15 115.2 0.5 . 1 . . . . . 41 . . . 5545 1 681 . 1 1 69 69 ARG C C 13 175.2 0.5 . 1 . . . . . 42 . . . 5545 1 682 . 1 1 69 69 ARG CA C 13 57.1 0.5 . 1 . . . . . 42 . . . 5545 1 683 . 1 1 69 69 ARG CB C 13 31.4 0.5 . 1 . . . . . 42 . . . 5545 1 684 . 1 1 69 69 ARG CG C 13 29.0 0.5 . 1 . . . . . 42 . . . 5545 1 685 . 1 1 69 69 ARG H H 1 8.40 0.02 . 1 . . . . . 42 . . . 5545 1 686 . 1 1 69 69 ARG HA H 1 4.81 0.02 . 1 . . . . . 42 . . . 5545 1 687 . 1 1 69 69 ARG HB2 H 1 1.89 0.02 . 1 . . . . . 42 . . . 5545 1 688 . 1 1 69 69 ARG HB3 H 1 1.89 0.02 . 1 . . . . . 42 . . . 5545 1 689 . 1 1 69 69 ARG HD2 H 1 3.00 0.02 . 1 . . . . . 42 . . . 5545 1 690 . 1 1 69 69 ARG HD3 H 1 3.00 0.02 . 1 . . . . . 42 . . . 5545 1 691 . 1 1 69 69 ARG HE H 1 7.27 0.02 . 1 . . . . . 42 . . . 5545 1 692 . 1 1 69 69 ARG HG2 H 1 1.74 0.02 . 1 . . . . . 42 . . . 5545 1 693 . 1 1 69 69 ARG HG3 H 1 1.96 0.02 . 1 . . . . . 42 . . . 5545 1 694 . 1 1 69 69 ARG N N 15 121.3 0.5 . 1 . . . . . 42 . . . 5545 1 695 . 1 1 70 70 SER C C 13 174.1 0.5 . 1 . . . . . 43 . . . 5545 1 696 . 1 1 70 70 SER CA C 13 58.2 0.5 . 1 . . . . . 43 . . . 5545 1 697 . 1 1 70 70 SER CB C 13 65.4 0.5 . 1 . . . . . 43 . . . 5545 1 698 . 1 1 70 70 SER H H 1 8.94 0.02 . 1 . . . . . 43 . . . 5545 1 699 . 1 1 70 70 SER HA H 1 5.07 0.02 . 1 . . . . . 43 . . . 5545 1 700 . 1 1 70 70 SER HB2 H 1 3.72 0.02 . 2 . . . . . 43 . . . 5545 1 701 . 1 1 70 70 SER HB3 H 1 3.76 0.02 . 2 . . . . . 43 . . . 5545 1 702 . 1 1 70 70 SER N N 15 114.5 0.5 . 1 . . . . . 43 . . . 5545 1 703 . 1 1 71 71 SER C C 13 174.9 0.5 . 1 . . . . . 44 . . . 5545 1 704 . 1 1 71 71 SER CA C 13 58.1 0.5 . 1 . . . . . 44 . . . 5545 1 705 . 1 1 71 71 SER CB C 13 64.6 0.5 . 1 . . . . . 44 . . . 5545 1 706 . 1 1 71 71 SER H H 1 8.69 0.02 . 1 . . . . . 44 . . . 5545 1 707 . 1 1 71 71 SER HA H 1 4.85 0.02 . 1 . . . . . 44 . . . 5545 1 708 . 1 1 71 71 SER HB2 H 1 3.86 0.02 . 1 . . . . . 44 . . . 5545 1 709 . 1 1 71 71 SER HB3 H 1 3.86 0.02 . 1 . . . . . 44 . . . 5545 1 710 . 1 1 71 71 SER N N 15 116.9 0.5 . 1 . . . . . 44 . . . 5545 1 711 . 1 1 72 72 GLN C C 13 176.7 0.5 . 1 . . . . . 45 . . . 5545 1 712 . 1 1 72 72 GLN CA C 13 57.3 0.5 . 1 . . . . . 45 . . . 5545 1 713 . 1 1 72 72 GLN CB C 13 28.7 0.5 . 1 . . . . . 45 . . . 5545 1 714 . 1 1 72 72 GLN CG C 13 33.9 0.5 . 1 . . . . . 45 . . . 5545 1 715 . 1 1 72 72 GLN H H 1 8.85 0.02 . 1 . . . . . 45 . . . 5545 1 716 . 1 1 72 72 GLN HA H 1 4.05 0.02 . 1 . . . . . 45 . . . 5545 1 717 . 1 1 72 72 GLN HB2 H 1 2.05 0.02 . 1 . . . . . 45 . . . 5545 1 718 . 1 1 72 72 GLN HB3 H 1 2.16 0.02 . 1 . . . . . 45 . . . 5545 1 719 . 1 1 72 72 GLN HG2 H 1 2.33 0.02 . 1 . . . . . 45 . . . 5545 1 720 . 1 1 72 72 GLN HG3 H 1 2.33 0.02 . 1 . . . . . 45 . . . 5545 1 721 . 1 1 72 72 GLN N N 15 123.1 0.5 . 1 . . . . . 45 . . . 5545 1 722 . 1 1 73 73 GLY C C 13 174.4 0.5 . 1 . . . . . 46 . . . 5545 1 723 . 1 1 73 73 GLY CA C 13 45.9 0.5 . 1 . . . . . 46 . . . 5545 1 724 . 1 1 73 73 GLY H H 1 8.67 0.02 . 1 . . . . . 46 . . . 5545 1 725 . 1 1 73 73 GLY HA2 H 1 3.73 0.02 . 2 . . . . . 46 . . . 5545 1 726 . 1 1 73 73 GLY HA3 H 1 4.06 0.02 . 2 . . . . . 46 . . . 5545 1 727 . 1 1 73 73 GLY N N 15 108.9 0.5 . 1 . . . . . 46 . . . 5545 1 728 . 1 1 74 74 GLN C C 13 176.0 0.5 . 1 . . . . . 47 . . . 5545 1 729 . 1 1 74 74 GLN CA C 13 55.5 0.5 . 1 . . . . . 47 . . . 5545 1 730 . 1 1 74 74 GLN CB C 13 29.8 0.5 . 1 . . . . . 47 . . . 5545 1 731 . 1 1 74 74 GLN CG C 13 33.9 0.5 . 1 . . . . . 47 . . . 5545 1 732 . 1 1 74 74 GLN H H 1 8.06 0.02 . 1 . . . . . 47 . . . 5545 1 733 . 1 1 74 74 GLN HA H 1 4.41 0.02 . 1 . . . . . 47 . . . 5545 1 734 . 1 1 74 74 GLN HB2 H 1 1.98 0.02 . 1 . . . . . 47 . . . 5545 1 735 . 1 1 74 74 GLN HB3 H 1 1.98 0.02 . 1 . . . . . 47 . . . 5545 1 736 . 1 1 74 74 GLN HG2 H 1 2.35 0.02 . 1 . . . . . 47 . . . 5545 1 737 . 1 1 74 74 GLN HG3 H 1 2.35 0.02 . 1 . . . . . 47 . . . 5545 1 738 . 1 1 74 74 GLN N N 15 118.5 0.5 . 1 . . . . . 47 . . . 5545 1 739 . 1 1 75 75 ARG C C 13 176.4 0.5 . 1 . . . . . 48 . . . 5545 1 740 . 1 1 75 75 ARG CA C 13 56.9 0.5 . 1 . . . . . 48 . . . 5545 1 741 . 1 1 75 75 ARG CB C 13 30.5 0.5 . 1 . . . . . 48 . . . 5545 1 742 . 1 1 75 75 ARG H H 1 8.31 0.02 . 1 . . . . . 48 . . . 5545 1 743 . 1 1 75 75 ARG HA H 1 4.35 0.02 . 1 . . . . . 48 . . . 5545 1 744 . 1 1 75 75 ARG HB2 H 1 1.77 0.02 . 1 . . . . . 48 . . . 5545 1 745 . 1 1 75 75 ARG HB3 H 1 1.77 0.02 . 1 . . . . . 48 . . . 5545 1 746 . 1 1 75 75 ARG N N 15 122.2 0.5 . 1 . . . . . 48 . . . 5545 1 747 . 1 1 76 76 ARG C C 13 176.6 0.5 . 1 . . . . . 49 . . . 5545 1 748 . 1 1 76 76 ARG CA C 13 55.8 0.5 . 1 . . . . . 49 . . . 5545 1 749 . 1 1 76 76 ARG CB C 13 31.2 0.5 . 1 . . . . . 49 . . . 5545 1 750 . 1 1 76 76 ARG H H 1 8.35 0.02 . 1 . . . . . 49 . . . 5545 1 751 . 1 1 76 76 ARG HA H 1 4.32 0.02 . 1 . . . . . 49 . . . 5545 1 752 . 1 1 76 76 ARG HB2 H 1 1.83 0.02 . 1 . . . . . 49 . . . 5545 1 753 . 1 1 76 76 ARG HB3 H 1 1.83 0.02 . 1 . . . . . 49 . . . 5545 1 754 . 1 1 76 76 ARG HD2 H 1 3.17 0.02 . 1 . . . . . 49 . . . 5545 1 755 . 1 1 76 76 ARG HD3 H 1 3.17 0.02 . 1 . . . . . 49 . . . 5545 1 756 . 1 1 76 76 ARG HG2 H 1 1.68 0.02 . 1 . . . . . 49 . . . 5545 1 757 . 1 1 76 76 ARG HG3 H 1 1.68 0.02 . 1 . . . . . 49 . . . 5545 1 758 . 1 1 76 76 ARG N N 15 123.3 0.5 . 1 . . . . . 49 . . . 5545 1 759 . 1 1 77 77 GLY CA C 13 44.7 0.5 . 1 . . . . . 50 . . . 5545 1 760 . 1 1 77 77 GLY H H 1 8.43 0.02 . 1 . . . . . 50 . . . 5545 1 761 . 1 1 77 77 GLY HA2 H 1 3.97 0.02 . 2 . . . . . 50 . . . 5545 1 762 . 1 1 77 77 GLY HA3 H 1 4.21 0.02 . 2 . . . . . 50 . . . 5545 1 763 . 1 1 77 77 GLY N N 15 112.5 0.5 . 1 . . . . . 50 . . . 5545 1 764 . 1 1 78 78 PRO C C 13 176.4 0.5 . 1 . . . . . 51 . . . 5545 1 765 . 1 1 78 78 PRO CA C 13 62.9 0.5 . 1 . . . . . 51 . . . 5545 1 766 . 1 1 78 78 PRO CB C 13 35.5 0.5 . 1 . . . . . 51 . . . 5545 1 767 . 1 1 78 78 PRO CD C 13 51.0 0.5 . 1 . . . . . 51 . . . 5545 1 768 . 1 1 78 78 PRO CG C 13 25.0 0.5 . 1 . . . . . 51 . . . 5545 1 769 . 1 1 78 78 PRO HA H 1 4.72 0.02 . 1 . . . . . 51 . . . 5545 1 770 . 1 1 78 78 PRO HB2 H 1 2.30 0.02 . 2 . . . . . 51 . . . 5545 1 771 . 1 1 78 78 PRO HB3 H 1 2.59 0.02 . 2 . . . . . 51 . . . 5545 1 772 . 1 1 78 78 PRO HD2 H 1 3.56 0.02 . 1 . . . . . 51 . . . 5545 1 773 . 1 1 78 78 PRO HD3 H 1 3.56 0.02 . 1 . . . . . 51 . . . 5545 1 774 . 1 1 78 78 PRO HG2 H 1 1.95 0.02 . 2 . . . . . 51 . . . 5545 1 775 . 1 1 78 78 PRO HG3 H 1 1.98 0.02 . 2 . . . . . 51 . . . 5545 1 776 . 1 1 79 79 CYS C C 13 173.2 0.5 . 1 . . . . . 52 . . . 5545 1 777 . 1 1 79 79 CYS CA C 13 57.0 0.5 . 1 . . . . . 52 . . . 5545 1 778 . 1 1 79 79 CYS CB C 13 48.7 0.5 . 1 . . . . . 52 . . . 5545 1 779 . 1 1 79 79 CYS H H 1 8.76 0.02 . 1 . . . . . 52 . . . 5545 1 780 . 1 1 79 79 CYS HA H 1 5.77 0.02 . 1 . . . . . 52 . . . 5545 1 781 . 1 1 79 79 CYS HB2 H 1 2.81 0.02 . 2 . . . . . 52 . . . 5545 1 782 . 1 1 79 79 CYS HB3 H 1 3.00 0.02 . 2 . . . . . 52 . . . 5545 1 783 . 1 1 79 79 CYS N N 15 118.4 0.5 . 1 . . . . . 52 . . . 5545 1 784 . 1 1 80 80 TRP C C 13 172.8 0.5 . 1 . . . . . 53 . . . 5545 1 785 . 1 1 80 80 TRP CA C 13 57.5 0.5 . 1 . . . . . 53 . . . 5545 1 786 . 1 1 80 80 TRP CB C 13 31.1 0.5 . 1 . . . . . 53 . . . 5545 1 787 . 1 1 80 80 TRP CD1 C 13 127.3 0.5 . 1 . . . . . 53 . . . 5545 1 788 . 1 1 80 80 TRP CH2 C 13 123.5 0.5 . 1 . . . . . 53 . . . 5545 1 789 . 1 1 80 80 TRP CZ2 C 13 114.3 0.5 . 1 . . . . . 53 . . . 5545 1 790 . 1 1 80 80 TRP CZ3 C 13 121.0 0.5 . 1 . . . . . 53 . . . 5545 1 791 . 1 1 80 80 TRP H H 1 9.47 0.02 . 1 . . . . . 53 . . . 5545 1 792 . 1 1 80 80 TRP HA H 1 4.93 0.02 . 1 . . . . . 53 . . . 5545 1 793 . 1 1 80 80 TRP HB2 H 1 3.31 0.02 . 1 . . . . . 53 . . . 5545 1 794 . 1 1 80 80 TRP HB3 H 1 3.31 0.02 . 1 . . . . . 53 . . . 5545 1 795 . 1 1 80 80 TRP HD1 H 1 6.83 0.02 . 1 . . . . . 53 . . . 5545 1 796 . 1 1 80 80 TRP HE1 H 1 9.80 0.02 . 1 . . . . . 53 . . . 5545 1 797 . 1 1 80 80 TRP HE3 H 1 7.12 0.02 . 1 . . . . . 53 . . . 5545 1 798 . 1 1 80 80 TRP HH2 H 1 5.96 0.02 . 1 . . . . . 53 . . . 5545 1 799 . 1 1 80 80 TRP HZ2 H 1 6.15 0.02 . 1 . . . . . 53 . . . 5545 1 800 . 1 1 80 80 TRP HZ3 H 1 6.76 0.02 . 1 . . . . . 53 . . . 5545 1 801 . 1 1 80 80 TRP N N 15 122.9 0.5 . 1 . . . . . 53 . . . 5545 1 802 . 1 1 80 80 TRP NE1 N 15 128.8 0.5 . 1 . . . . . 53 . . . 5545 1 803 . 1 1 81 81 CYS C C 13 175.8 0.5 . 1 . . . . . 54 . . . 5545 1 804 . 1 1 81 81 CYS CA C 13 54.0 0.5 . 1 . . . . . 54 . . . 5545 1 805 . 1 1 81 81 CYS CB C 13 43.1 0.5 . 1 . . . . . 54 . . . 5545 1 806 . 1 1 81 81 CYS H H 1 8.72 0.02 . 1 . . . . . 54 . . . 5545 1 807 . 1 1 81 81 CYS HA H 1 6.00 0.02 . 1 . . . . . 54 . . . 5545 1 808 . 1 1 81 81 CYS HB2 H 1 2.97 0.02 . 1 . . . . . 54 . . . 5545 1 809 . 1 1 81 81 CYS HB3 H 1 2.97 0.02 . 1 . . . . . 54 . . . 5545 1 810 . 1 1 81 81 CYS N N 15 117.6 0.5 . 1 . . . . . 54 . . . 5545 1 811 . 1 1 82 82 VAL C C 13 176.2 0.5 . 1 . . . . . 55 . . . 5545 1 812 . 1 1 82 82 VAL CA C 13 58.7 0.5 . 1 . . . . . 55 . . . 5545 1 813 . 1 1 82 82 VAL CB C 13 36.9 0.5 . 1 . . . . . 55 . . . 5545 1 814 . 1 1 82 82 VAL CG1 C 13 23.1 0.5 . 2 . . . . . 55 . . . 5545 1 815 . 1 1 82 82 VAL CG2 C 13 20.9 0.5 . 2 . . . . . 55 . . . 5545 1 816 . 1 1 82 82 VAL H H 1 9.48 0.02 . 1 . . . . . 55 . . . 5545 1 817 . 1 1 82 82 VAL HA H 1 5.26 0.02 . 1 . . . . . 55 . . . 5545 1 818 . 1 1 82 82 VAL HB H 1 1.70 0.02 . 1 . . . . . 55 . . . 5545 1 819 . 1 1 82 82 VAL HG11 H 1 0.78 0.02 . 2 . . . . . 55 . . . 5545 1 820 . 1 1 82 82 VAL HG12 H 1 0.78 0.02 . 2 . . . . . 55 . . . 5545 1 821 . 1 1 82 82 VAL HG13 H 1 0.78 0.02 . 2 . . . . . 55 . . . 5545 1 822 . 1 1 82 82 VAL HG21 H 1 0.92 0.02 . 2 . . . . . 55 . . . 5545 1 823 . 1 1 82 82 VAL HG22 H 1 0.92 0.02 . 2 . . . . . 55 . . . 5545 1 824 . 1 1 82 82 VAL HG23 H 1 0.92 0.02 . 2 . . . . . 55 . . . 5545 1 825 . 1 1 82 82 VAL N N 15 116.1 0.5 . 1 . . . . . 55 . . . 5545 1 826 . 1 1 83 83 ASP C C 13 178.7 0.5 . 1 . . . . . 56 . . . 5545 1 827 . 1 1 83 83 ASP CA C 13 52.5 0.5 . 1 . . . . . 56 . . . 5545 1 828 . 1 1 83 83 ASP CB C 13 41.0 0.5 . 1 . . . . . 56 . . . 5545 1 829 . 1 1 83 83 ASP H H 1 8.58 0.02 . 1 . . . . . 56 . . . 5545 1 830 . 1 1 83 83 ASP HA H 1 4.58 0.02 . 1 . . . . . 56 . . . 5545 1 831 . 1 1 83 83 ASP HB2 H 1 2.61 0.02 . 2 . . . . . 56 . . . 5545 1 832 . 1 1 83 83 ASP HB3 H 1 3.39 0.02 . 2 . . . . . 56 . . . 5545 1 833 . 1 1 83 83 ASP N N 15 120.0 0.5 . 1 . . . . . 56 . . . 5545 1 834 . 1 1 84 84 ARG C C 13 178.1 0.5 . 1 . . . . . 57 . . . 5545 1 835 . 1 1 84 84 ARG CA C 13 59.7 0.5 . 1 . . . . . 57 . . . 5545 1 836 . 1 1 84 84 ARG CB C 13 30.1 0.5 . 1 . . . . . 57 . . . 5545 1 837 . 1 1 84 84 ARG CD C 13 43.7 0.5 . 1 . . . . . 57 . . . 5545 1 838 . 1 1 84 84 ARG CG C 13 27.9 0.5 . 1 . . . . . 57 . . . 5545 1 839 . 1 1 84 84 ARG H H 1 8.33 0.02 . 1 . . . . . 57 . . . 5545 1 840 . 1 1 84 84 ARG HA H 1 4.74 0.02 . 1 . . . . . 57 . . . 5545 1 841 . 1 1 84 84 ARG HB2 H 1 1.92 0.02 . 1 . . . . . 57 . . . 5545 1 842 . 1 1 84 84 ARG HB3 H 1 2.03 0.02 . 1 . . . . . 57 . . . 5545 1 843 . 1 1 84 84 ARG HD2 H 1 2.88 0.02 . 2 . . . . . 57 . . . 5545 1 844 . 1 1 84 84 ARG HD3 H 1 3.06 0.02 . 2 . . . . . 57 . . . 5545 1 845 . 1 1 84 84 ARG HE H 1 6.96 0.02 . 1 . . . . . 57 . . . 5545 1 846 . 1 1 84 84 ARG HG2 H 1 1.60 0.02 . 2 . . . . . 57 . . . 5545 1 847 . 1 1 84 84 ARG HG3 H 1 1.76 0.02 . 2 . . . . . 57 . . . 5545 1 848 . 1 1 84 84 ARG N N 15 115.1 0.5 . 1 . . . . . 57 . . . 5545 1 849 . 1 1 85 85 MET C C 13 177.5 0.5 . 1 . . . . . 58 . . . 5545 1 850 . 1 1 85 85 MET CA C 13 53.8 0.5 . 1 . . . . . 58 . . . 5545 1 851 . 1 1 85 85 MET CB C 13 30.9 0.5 . 1 . . . . . 58 . . . 5545 1 852 . 1 1 85 85 MET CE C 13 16.9 0.5 . 1 . . . . . 58 . . . 5545 1 853 . 1 1 85 85 MET CG C 13 33.1 0.5 . 1 . . . . . 58 . . . 5545 1 854 . 1 1 85 85 MET H H 1 7.92 0.02 . 1 . . . . . 58 . . . 5545 1 855 . 1 1 85 85 MET HA H 1 4.99 0.02 . 1 . . . . . 58 . . . 5545 1 856 . 1 1 85 85 MET HB2 H 1 2.33 0.02 . 2 . . . . . 58 . . . 5545 1 857 . 1 1 85 85 MET HB3 H 1 2.40 0.02 . 2 . . . . . 58 . . . 5545 1 858 . 1 1 85 85 MET HE1 H 1 2.25 0.02 . 1 . . . . . 58 . . . 5545 1 859 . 1 1 85 85 MET HE2 H 1 2.25 0.02 . 1 . . . . . 58 . . . 5545 1 860 . 1 1 85 85 MET HE3 H 1 2.25 0.02 . 1 . . . . . 58 . . . 5545 1 861 . 1 1 85 85 MET HG2 H 1 2.61 0.02 . 2 . . . . . 58 . . . 5545 1 862 . 1 1 85 85 MET HG3 H 1 2.89 0.02 . 2 . . . . . 58 . . . 5545 1 863 . 1 1 85 85 MET N N 15 115.1 0.5 . 1 . . . . . 58 . . . 5545 1 864 . 1 1 86 86 GLY C C 13 174.2 0.5 . 1 . . . . . 59 . . . 5545 1 865 . 1 1 86 86 GLY CA C 13 44.6 0.5 . 1 . . . . . 59 . . . 5545 1 866 . 1 1 86 86 GLY H H 1 8.42 0.02 . 1 . . . . . 59 . . . 5545 1 867 . 1 1 86 86 GLY HA2 H 1 2.30 0.02 . 2 . . . . . 59 . . . 5545 1 868 . 1 1 86 86 GLY HA3 H 1 3.16 0.02 . 2 . . . . . 59 . . . 5545 1 869 . 1 1 86 86 GLY N N 15 111.2 0.5 . 1 . . . . . 59 . . . 5545 1 870 . 1 1 87 87 LYS C C 13 176.9 0.5 . 1 . . . . . 60 . . . 5545 1 871 . 1 1 87 87 LYS CA C 13 55.9 0.5 . 1 . . . . . 60 . . . 5545 1 872 . 1 1 87 87 LYS CB C 13 32.4 0.5 . 1 . . . . . 60 . . . 5545 1 873 . 1 1 87 87 LYS CD C 13 29.2 0.5 . 1 . . . . . 60 . . . 5545 1 874 . 1 1 87 87 LYS CE C 13 42.1 0.5 . 1 . . . . . 60 . . . 5545 1 875 . 1 1 87 87 LYS CG C 13 25.2 0.5 . 1 . . . . . 60 . . . 5545 1 876 . 1 1 87 87 LYS H H 1 8.37 0.02 . 1 . . . . . 60 . . . 5545 1 877 . 1 1 87 87 LYS HA H 1 4.22 0.02 . 1 . . . . . 60 . . . 5545 1 878 . 1 1 87 87 LYS HB2 H 1 1.81 0.02 . 1 . . . . . 60 . . . 5545 1 879 . 1 1 87 87 LYS HB3 H 1 1.81 0.02 . 1 . . . . . 60 . . . 5545 1 880 . 1 1 87 87 LYS HD2 H 1 1.67 0.02 . 1 . . . . . 60 . . . 5545 1 881 . 1 1 87 87 LYS HD3 H 1 1.67 0.02 . 1 . . . . . 60 . . . 5545 1 882 . 1 1 87 87 LYS HE2 H 1 2.98 0.02 . 1 . . . . . 60 . . . 5545 1 883 . 1 1 87 87 LYS HE3 H 1 2.98 0.02 . 1 . . . . . 60 . . . 5545 1 884 . 1 1 87 87 LYS HG2 H 1 1.37 0.02 . 2 . . . . . 60 . . . 5545 1 885 . 1 1 87 87 LYS HG3 H 1 1.45 0.02 . 2 . . . . . 60 . . . 5545 1 886 . 1 1 87 87 LYS N N 15 124.1 0.5 . 1 . . . . . 60 . . . 5545 1 887 . 1 1 88 88 SER C C 13 174.7 0.5 . 1 . . . . . 61 . . . 5545 1 888 . 1 1 88 88 SER CA C 13 60.4 0.5 . 1 . . . . . 61 . . . 5545 1 889 . 1 1 88 88 SER CB C 13 63.3 0.5 . 1 . . . . . 61 . . . 5545 1 890 . 1 1 88 88 SER H H 1 8.55 0.02 . 1 . . . . . 61 . . . 5545 1 891 . 1 1 88 88 SER HA H 1 4.59 0.02 . 1 . . . . . 61 . . . 5545 1 892 . 1 1 88 88 SER HB2 H 1 3.82 0.02 . 1 . . . . . 61 . . . 5545 1 893 . 1 1 88 88 SER HB3 H 1 3.82 0.02 . 1 . . . . . 61 . . . 5545 1 894 . 1 1 88 88 SER N N 15 119.3 0.5 . 1 . . . . . 61 . . . 5545 1 895 . 1 1 89 89 LEU C C 13 175.2 0.5 . 1 . . . . . 62 . . . 5545 1 896 . 1 1 89 89 LEU CA C 13 52.4 0.5 . 1 . . . . . 62 . . . 5545 1 897 . 1 1 89 89 LEU CB C 13 42.5 0.5 . 1 . . . . . 62 . . . 5545 1 898 . 1 1 89 89 LEU CD1 C 13 25.7 0.5 . 2 . . . . . 62 . . . 5545 1 899 . 1 1 89 89 LEU CD2 C 13 23.5 0.5 . 2 . . . . . 62 . . . 5545 1 900 . 1 1 89 89 LEU CG C 13 26.8 0.5 . 1 . . . . . 62 . . . 5545 1 901 . 1 1 89 89 LEU H H 1 8.36 0.02 . 1 . . . . . 62 . . . 5545 1 902 . 1 1 89 89 LEU HA H 1 4.74 0.02 . 1 . . . . . 62 . . . 5545 1 903 . 1 1 89 89 LEU HB2 H 1 1.38 0.02 . 2 . . . . . 62 . . . 5545 1 904 . 1 1 89 89 LEU HB3 H 1 1.50 0.02 . 2 . . . . . 62 . . . 5545 1 905 . 1 1 89 89 LEU HD11 H 1 0.77 0.02 . 2 . . . . . 62 . . . 5545 1 906 . 1 1 89 89 LEU HD12 H 1 0.77 0.02 . 2 . . . . . 62 . . . 5545 1 907 . 1 1 89 89 LEU HD13 H 1 0.77 0.02 . 2 . . . . . 62 . . . 5545 1 908 . 1 1 89 89 LEU HD21 H 1 0.90 0.02 . 2 . . . . . 62 . . . 5545 1 909 . 1 1 89 89 LEU HD22 H 1 0.90 0.02 . 2 . . . . . 62 . . . 5545 1 910 . 1 1 89 89 LEU HD23 H 1 0.90 0.02 . 2 . . . . . 62 . . . 5545 1 911 . 1 1 89 89 LEU HG H 1 1.64 0.02 . 1 . . . . . 62 . . . 5545 1 912 . 1 1 89 89 LEU N N 15 126.4 0.5 . 1 . . . . . 62 . . . 5545 1 913 . 1 1 90 90 PRO C C 13 177.2 0.5 . 1 . . . . . 63 . . . 5545 1 914 . 1 1 90 90 PRO CA C 13 63.5 0.5 . 1 . . . . . 63 . . . 5545 1 915 . 1 1 90 90 PRO CB C 13 32.4 0.5 . 1 . . . . . 63 . . . 5545 1 916 . 1 1 90 90 PRO CD C 13 51.1 0.5 . 1 . . . . . 63 . . . 5545 1 917 . 1 1 90 90 PRO CG C 13 27.5 0.5 . 1 . . . . . 63 . . . 5545 1 918 . 1 1 90 90 PRO HA H 1 4.45 0.02 . 1 . . . . . 63 . . . 5545 1 919 . 1 1 90 90 PRO HB2 H 1 1.92 0.02 . 1 . . . . . 63 . . . 5545 1 920 . 1 1 90 90 PRO HB3 H 1 2.26 0.02 . 1 . . . . . 63 . . . 5545 1 921 . 1 1 90 90 PRO HD2 H 1 3.63 0.02 . 2 . . . . . 63 . . . 5545 1 922 . 1 1 90 90 PRO HD3 H 1 3.81 0.02 . 2 . . . . . 63 . . . 5545 1 923 . 1 1 90 90 PRO HG2 H 1 2.01 0.02 . 1 . . . . . 63 . . . 5545 1 924 . 1 1 90 90 PRO HG3 H 1 2.01 0.02 . 1 . . . . . 63 . . . 5545 1 925 . 1 1 91 91 GLY C C 13 173.9 0.5 . 1 . . . . . 64 . . . 5545 1 926 . 1 1 91 91 GLY CA C 13 44.8 0.5 . 1 . . . . . 64 . . . 5545 1 927 . 1 1 91 91 GLY H H 1 8.27 0.02 . 1 . . . . . 64 . . . 5545 1 928 . 1 1 91 91 GLY HA2 H 1 4.01 0.02 . 1 . . . . . 64 . . . 5545 1 929 . 1 1 91 91 GLY HA3 H 1 4.01 0.02 . 1 . . . . . 64 . . . 5545 1 930 . 1 1 91 91 GLY N N 15 108.4 0.5 . 1 . . . . . 64 . . . 5545 1 931 . 1 1 92 92 SER CA C 13 56.1 0.5 . 1 . . . . . 65 . . . 5545 1 932 . 1 1 92 92 SER CB C 13 63.6 0.5 . 1 . . . . . 65 . . . 5545 1 933 . 1 1 92 92 SER H H 1 8.34 0.02 . 1 . . . . . 65 . . . 5545 1 934 . 1 1 92 92 SER HA H 1 4.89 0.02 . 1 . . . . . 65 . . . 5545 1 935 . 1 1 92 92 SER HB2 H 1 3.89 0.02 . 1 . . . . . 65 . . . 5545 1 936 . 1 1 92 92 SER HB3 H 1 3.89 0.02 . 1 . . . . . 65 . . . 5545 1 937 . 1 1 92 92 SER N N 15 116.2 0.5 . 1 . . . . . 65 . . . 5545 1 938 . 1 1 93 93 PRO C C 13 176.9 0.5 . 1 . . . . . 66 . . . 5545 1 939 . 1 1 93 93 PRO CA C 13 64.3 0.5 . 1 . . . . . 66 . . . 5545 1 940 . 1 1 93 93 PRO CB C 13 32.2 0.5 . 1 . . . . . 66 . . . 5545 1 941 . 1 1 93 93 PRO CD C 13 51.2 0.5 . 1 . . . . . 66 . . . 5545 1 942 . 1 1 93 93 PRO CG C 13 27.7 0.5 . 1 . . . . . 66 . . . 5545 1 943 . 1 1 93 93 PRO HA H 1 4.39 0.02 . 1 . . . . . 66 . . . 5545 1 944 . 1 1 93 93 PRO HB2 H 1 2.20 0.02 . 1 . . . . . 66 . . . 5545 1 945 . 1 1 93 93 PRO HB3 H 1 2.20 0.02 . 1 . . . . . 66 . . . 5545 1 946 . 1 1 93 93 PRO HD2 H 1 3.62 0.02 . 2 . . . . . 66 . . . 5545 1 947 . 1 1 93 93 PRO HD3 H 1 3.82 0.02 . 2 . . . . . 66 . . . 5545 1 948 . 1 1 93 93 PRO HG2 H 1 1.96 0.02 . 1 . . . . . 66 . . . 5545 1 949 . 1 1 93 93 PRO HG3 H 1 1.96 0.02 . 1 . . . . . 66 . . . 5545 1 950 . 1 1 94 94 ASP C C 13 176.9 0.5 . 1 . . . . . 67 . . . 5545 1 951 . 1 1 94 94 ASP CA C 13 54.1 0.5 . 1 . . . . . 67 . . . 5545 1 952 . 1 1 94 94 ASP CB C 13 41.1 0.5 . 1 . . . . . 67 . . . 5545 1 953 . 1 1 94 94 ASP H H 1 8.16 0.02 . 1 . . . . . 67 . . . 5545 1 954 . 1 1 94 94 ASP HA H 1 4.70 0.02 . 1 . . . . . 67 . . . 5545 1 955 . 1 1 94 94 ASP HB2 H 1 2.68 0.02 . 1 . . . . . 67 . . . 5545 1 956 . 1 1 94 94 ASP HB3 H 1 2.68 0.02 . 1 . . . . . 67 . . . 5545 1 957 . 1 1 94 94 ASP N N 15 118.5 0.5 . 1 . . . . . 67 . . . 5545 1 958 . 1 1 95 95 GLY C C 13 174.2 0.5 . 1 . . . . . 68 . . . 5545 1 959 . 1 1 95 95 GLY CA C 13 45.9 0.5 . 1 . . . . . 68 . . . 5545 1 960 . 1 1 95 95 GLY H H 1 8.13 0.02 . 1 . . . . . 68 . . . 5545 1 961 . 1 1 95 95 GLY HA2 H 1 3.94 0.02 . 1 . . . . . 68 . . . 5545 1 962 . 1 1 95 95 GLY HA3 H 1 3.94 0.02 . 1 . . . . . 68 . . . 5545 1 963 . 1 1 95 95 GLY N N 15 108.4 0.5 . 1 . . . . . 68 . . . 5545 1 964 . 1 1 96 96 ASN C C 13 176.3 0.5 . 1 . . . . . 69 . . . 5545 1 965 . 1 1 96 96 ASN CA C 13 53.3 0.5 . 1 . . . . . 69 . . . 5545 1 966 . 1 1 96 96 ASN CB C 13 39.3 0.5 . 1 . . . . . 69 . . . 5545 1 967 . 1 1 96 96 ASN H H 1 8.39 0.02 . 1 . . . . . 69 . . . 5545 1 968 . 1 1 96 96 ASN HA H 1 4.80 0.02 . 1 . . . . . 69 . . . 5545 1 969 . 1 1 96 96 ASN HB2 H 1 2.81 0.02 . 1 . . . . . 69 . . . 5545 1 970 . 1 1 96 96 ASN HB3 H 1 2.81 0.02 . 1 . . . . . 69 . . . 5545 1 971 . 1 1 96 96 ASN HD21 H 1 6.90 0.02 . 2 . . . . . 69 . . . 5545 1 972 . 1 1 96 96 ASN HD22 H 1 7.57 0.02 . 2 . . . . . 69 . . . 5545 1 973 . 1 1 96 96 ASN N N 15 118.1 0.5 . 1 . . . . . 69 . . . 5545 1 974 . 1 1 96 96 ASN ND2 N 15 113.1 0.5 . 1 . . . . . 69 . . . 5545 1 975 . 1 1 97 97 GLY C C 13 175.2 0.5 . 1 . . . . . 70 . . . 5545 1 976 . 1 1 97 97 GLY CA C 13 45.9 0.5 . 1 . . . . . 70 . . . 5545 1 977 . 1 1 97 97 GLY H H 1 8.48 0.02 . 1 . . . . . 70 . . . 5545 1 978 . 1 1 97 97 GLY HA2 H 1 3.97 0.02 . 2 . . . . . 70 . . . 5545 1 979 . 1 1 97 97 GLY HA3 H 1 4.09 0.02 . 2 . . . . . 70 . . . 5545 1 980 . 1 1 97 97 GLY N N 15 109.4 0.5 . 1 . . . . . 70 . . . 5545 1 981 . 1 1 98 98 SER C C 13 175.3 0.5 . 1 . . . . . 71 . . . 5545 1 982 . 1 1 98 98 SER CA C 13 59.2 0.5 . 1 . . . . . 71 . . . 5545 1 983 . 1 1 98 98 SER CB C 13 63.6 0.5 . 1 . . . . . 71 . . . 5545 1 984 . 1 1 98 98 SER H H 1 8.43 0.02 . 1 . . . . . 71 . . . 5545 1 985 . 1 1 98 98 SER HA H 1 4.50 0.02 . 1 . . . . . 71 . . . 5545 1 986 . 1 1 98 98 SER HB2 H 1 3.92 0.02 . 1 . . . . . 71 . . . 5545 1 987 . 1 1 98 98 SER HB3 H 1 3.92 0.02 . 1 . . . . . 71 . . . 5545 1 988 . 1 1 98 98 SER N N 15 116.3 0.5 . 1 . . . . . 71 . . . 5545 1 989 . 1 1 99 99 SER C C 13 174.5 0.5 . 1 . . . . . 72 . . . 5545 1 990 . 1 1 99 99 SER CA C 13 58.8 0.5 . 1 . . . . . 72 . . . 5545 1 991 . 1 1 99 99 SER CB C 13 63.6 0.5 . 1 . . . . . 72 . . . 5545 1 992 . 1 1 99 99 SER H H 1 8.34 0.02 . 1 . . . . . 72 . . . 5545 1 993 . 1 1 99 99 SER HA H 1 4.52 0.02 . 1 . . . . . 72 . . . 5545 1 994 . 1 1 99 99 SER HB2 H 1 3.89 0.02 . 1 . . . . . 72 . . . 5545 1 995 . 1 1 99 99 SER HB3 H 1 3.89 0.02 . 1 . . . . . 72 . . . 5545 1 996 . 1 1 99 99 SER N N 15 116.9 0.5 . 1 . . . . . 72 . . . 5545 1 997 . 1 1 100 100 SER C C 13 174.2 0.5 . 1 . . . . . 73 . . . 5545 1 998 . 1 1 100 100 SER CA C 13 58.8 0.5 . 1 . . . . . 73 . . . 5545 1 999 . 1 1 100 100 SER CB C 13 63.9 0.5 . 1 . . . . . 73 . . . 5545 1 1000 . 1 1 100 100 SER H H 1 8.13 0.02 . 1 . . . . . 73 . . . 5545 1 1001 . 1 1 100 100 SER HA H 1 4.52 0.02 . 1 . . . . . 73 . . . 5545 1 1002 . 1 1 100 100 SER HB2 H 1 3.84 0.02 . 1 . . . . . 73 . . . 5545 1 1003 . 1 1 100 100 SER HB3 H 1 3.84 0.02 . 1 . . . . . 73 . . . 5545 1 1004 . 1 1 100 100 SER N N 15 117.0 0.5 . 1 . . . . . 73 . . . 5545 1 1005 . 1 1 101 101 CYS CA C 13 53.6 0.5 . 1 . . . . . 74 . . . 5545 1 1006 . 1 1 101 101 CYS CB C 13 40.5 0.5 . 1 . . . . . 74 . . . 5545 1 1007 . 1 1 101 101 CYS H H 1 8.45 0.02 . 1 . . . . . 74 . . . 5545 1 1008 . 1 1 101 101 CYS HA H 1 5.05 0.02 . 1 . . . . . 74 . . . 5545 1 1009 . 1 1 101 101 CYS HB2 H 1 2.81 0.02 . 2 . . . . . 74 . . . 5545 1 1010 . 1 1 101 101 CYS HB3 H 1 2.99 0.02 . 2 . . . . . 74 . . . 5545 1 1011 . 1 1 101 101 CYS N N 15 118.0 0.5 . 1 . . . . . 74 . . . 5545 1 1012 . 1 1 102 102 PRO C C 13 177.3 0.5 . 1 . . . . . 75 . . . 5545 1 1013 . 1 1 102 102 PRO CA C 13 63.4 0.5 . 1 . . . . . 75 . . . 5545 1 1014 . 1 1 102 102 PRO CB C 13 32.5 0.5 . 1 . . . . . 75 . . . 5545 1 1015 . 1 1 102 102 PRO CD C 13 51.0 0.5 . 1 . . . . . 75 . . . 5545 1 1016 . 1 1 102 102 PRO CG C 13 27.9 0.5 . 1 . . . . . 75 . . . 5545 1 1017 . 1 1 102 102 PRO HA H 1 4.54 0.02 . 1 . . . . . 75 . . . 5545 1 1018 . 1 1 102 102 PRO HB2 H 1 1.97 0.02 . 2 . . . . . 75 . . . 5545 1 1019 . 1 1 102 102 PRO HB3 H 1 2.31 0.02 . 2 . . . . . 75 . . . 5545 1 1020 . 1 1 102 102 PRO HD2 H 1 3.53 0.02 . 2 . . . . . 75 . . . 5545 1 1021 . 1 1 102 102 PRO HD3 H 1 3.76 0.02 . 2 . . . . . 75 . . . 5545 1 1022 . 1 1 102 102 PRO HG2 H 1 1.97 0.02 . 1 . . . . . 75 . . . 5545 1 1023 . 1 1 102 102 PRO HG3 H 1 1.97 0.02 . 1 . . . . . 75 . . . 5545 1 1024 . 1 1 103 103 THR C C 13 175.5 0.5 . 1 . . . . . 76 . . . 5545 1 1025 . 1 1 103 103 THR CA C 13 62.9 0.5 . 1 . . . . . 76 . . . 5545 1 1026 . 1 1 103 103 THR CB C 13 69.4 0.5 . 1 . . . . . 76 . . . 5545 1 1027 . 1 1 103 103 THR CG2 C 13 21.9 0.5 . 2 . . . . . 76 . . . 5545 1 1028 . 1 1 103 103 THR H H 1 8.41 0.02 . 1 . . . . . 76 . . . 5545 1 1029 . 1 1 103 103 THR HA H 1 4.21 0.02 . 1 . . . . . 76 . . . 5545 1 1030 . 1 1 103 103 THR HB H 1 4.20 0.02 . 1 . . . . . 76 . . . 5545 1 1031 . 1 1 103 103 THR HG21 H 1 1.22 0.02 . 1 . . . . . 76 . . . 5545 1 1032 . 1 1 103 103 THR HG22 H 1 1.22 0.02 . 1 . . . . . 76 . . . 5545 1 1033 . 1 1 103 103 THR HG23 H 1 1.22 0.02 . 1 . . . . . 76 . . . 5545 1 1034 . 1 1 103 103 THR N N 15 114.5 0.5 . 1 . . . . . 76 . . . 5545 1 1035 . 1 1 104 104 GLY C C 13 174.5 0.5 . 1 . . . . . 77 . . . 5545 1 1036 . 1 1 104 104 GLY CA C 13 45.6 0.5 . 1 . . . . . 77 . . . 5545 1 1037 . 1 1 104 104 GLY H H 1 8.39 0.02 . 1 . . . . . 77 . . . 5545 1 1038 . 1 1 104 104 GLY HA2 H 1 4.03 0.02 . 1 . . . . . 77 . . . 5545 1 1039 . 1 1 104 104 GLY HA3 H 1 4.03 0.02 . 1 . . . . . 77 . . . 5545 1 1040 . 1 1 104 104 GLY N N 15 111.0 0.5 . 1 . . . . . 77 . . . 5545 1 1041 . 1 1 105 105 SER C C 13 175.0 0.5 . 1 . . . . . 78 . . . 5545 1 1042 . 1 1 105 105 SER CA C 13 58.8 0.5 . 1 . . . . . 78 . . . 5545 1 1043 . 1 1 105 105 SER CB C 13 63.7 0.5 . 1 . . . . . 78 . . . 5545 1 1044 . 1 1 105 105 SER H H 1 8.32 0.02 . 1 . . . . . 78 . . . 5545 1 1045 . 1 1 105 105 SER HA H 1 4.52 0.02 . 1 . . . . . 78 . . . 5545 1 1046 . 1 1 105 105 SER HB2 H 1 3.88 0.02 . 2 . . . . . 78 . . . 5545 1 1047 . 1 1 105 105 SER HB3 H 1 4.03 0.02 . 2 . . . . . 78 . . . 5545 1 1048 . 1 1 105 105 SER N N 15 115.8 0.5 . 1 . . . . . 78 . . . 5545 1 1049 . 1 1 106 106 SER C C 13 174.2 0.5 . 1 . . . . . 79 . . . 5545 1 1050 . 1 1 106 106 SER CA C 13 58.7 0.5 . 1 . . . . . 79 . . . 5545 1 1051 . 1 1 106 106 SER CB C 13 63.8 0.5 . 1 . . . . . 79 . . . 5545 1 1052 . 1 1 106 106 SER H H 1 8.41 0.02 . 1 . . . . . 79 . . . 5545 1 1053 . 1 1 106 106 SER HA H 1 4.53 0.02 . 1 . . . . . 79 . . . 5545 1 1054 . 1 1 106 106 SER HB2 H 1 3.88 0.02 . 1 . . . . . 79 . . . 5545 1 1055 . 1 1 106 106 SER HB3 H 1 3.88 0.02 . 1 . . . . . 79 . . . 5545 1 1056 . 1 1 106 106 SER N N 15 117.8 0.5 . 1 . . . . . 79 . . . 5545 1 1057 . 1 1 107 107 GLY CA C 13 46.5 0.5 . 1 . . . . . 80 . . . 5545 1 1058 . 1 1 107 107 GLY H H 1 8.04 0.02 . 1 . . . . . 80 . . . 5545 1 1059 . 1 1 107 107 GLY HA2 H 1 3.76 0.02 . 1 . . . . . 80 . . . 5545 1 1060 . 1 1 107 107 GLY HA3 H 1 3.76 0.02 . 1 . . . . . 80 . . . 5545 1 1061 . 1 1 107 107 GLY N N 15 116.7 0.5 . 1 . . . . . 80 . . . 5545 1 stop_ save_