data_4294 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4294 _Entry.Title ; Resonance Assignments, Secondary Structure and 15N Relaxation data of the Human Transcriptional Coactivator hMBF1(57-148) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-01-12 _Entry.Accession_date 1999-01-19 _Entry.Last_release_date 2000-12-18 _Entry.Original_release_date 2000-12-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Masaki Mishima . . . 4294 2 J. Ozaki . . . 4294 3 T. Ikegami . . . 4294 4 Y. Kabe . . . 4294 5 M. Goto . . . 4294 6 H. Ueda . . . 4294 7 S. Hirose . . . 4294 8 H. Handa . . . 4294 9 Masahiro Shirakawa . . . 4294 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4294 coupling_constants 1 4294 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 340 4294 '15N chemical shifts' 79 4294 '1H chemical shifts' 491 4294 'coupling constants' 30 4294 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2000-12-18 1999-01-12 original author . 4294 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4294 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99455329 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Mishima, M., Ozaki, J., Ikegami, T., Kabe, Y., Goto, M., Ueda, H., Hirose, S., Handa, H., and Shirakawa, M., "Resonance Assignments, Secondary Structure and 15N Relaxation data of the Human Transcriptional Coactivator hMBF1(57-148)," J. Biomol. NMR 14, 373-376 (1999). ; _Citation.Title ; Resonance Assignments, Secondary Structure and 15N Relaxation data of the Human Transcriptional Coactivator hMBF1(57-148) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 14 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 373 _Citation.Page_last 376 _Citation.Year 1999 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Masaki Mishima . . . 4294 1 2 J. Ozaki . . . 4294 1 3 T. Ikegami . . . 4294 1 4 Y. Kabe . . . 4294 1 5 M. Goto . . . 4294 1 6 H. Ueda . . . 4294 1 7 S. Hirose . . . 4294 1 8 H. Handa . . . 4294 1 9 Masahiro Shirakawa . . . 4294 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_hMBF1c _Assembly.Sf_category assembly _Assembly.Sf_framecode system_hMBF1c _Assembly.Entry_ID 4294 _Assembly.ID 1 _Assembly.Name 'human MBF1(57-148) core domain' _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 . _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 4294 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 hMBF1c 1 $hMBF1c . . . native . . . . . 4294 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID hMBF1c abbreviation 4294 1 'human MBF1(57-148) core domain' system 4294 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'transciptional coactivator' 4294 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hMBF1c _Entity.Sf_category entity _Entity.Sf_framecode hMBF1c _Entity.Entry_ID 4294 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'human Multi Protein Bridging Factor type1' _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 ; NTAKLDRETEELHHDRVTLE VGKVIQQGRQSKGLTQKDLA TKINEKPQVIADYESGRAIP NNQVLGKIERAIGLKLRGKD IGKPIEKGPRAK ; _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 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'EDF-1 protein is identical with human MBF1"' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1X57 . "Solution Structures Of The Hth Domain Of Human Edf-1 Protein" . . . . . 84.78 91 100.00 100.00 1.02e-45 . . . . 4294 1 2 no DBJ BAA88073 . "hMBF1alpha [Homo sapiens]" . . . . . 100.00 148 100.00 100.00 1.77e-57 . . . . 4294 1 3 no DBJ BAA88074 . "hMBF1beta [Homo sapiens]" . . . . . 79.35 139 100.00 100.00 3.12e-43 . . . . 4294 1 4 no DBJ BAA92749 . "unnamed protein product [Mus musculus]" . . . . . 100.00 148 97.83 100.00 3.52e-56 . . . . 4294 1 5 no DBJ BAB22026 . "unnamed protein product [Mus musculus]" . . . . . 100.00 148 97.83 100.00 3.52e-56 . . . . 4294 1 6 no DBJ BAB22854 . "unnamed protein product [Mus musculus]" . . . . . 100.00 148 97.83 100.00 3.52e-56 . . . . 4294 1 7 no EMBL CAA06446 . "EDF-1 [Homo sapiens]" . . . . . 100.00 148 100.00 100.00 1.77e-57 . . . . 4294 1 8 no EMBL CAC32040 . "EDF-1 protein [Mus musculus]" . . . . . 100.00 148 98.91 100.00 1.03e-56 . . . . 4294 1 9 no EMBL CAG46712 . "EDF1 [Homo sapiens]" . . . . . 100.00 148 100.00 100.00 1.77e-57 . . . . 4294 1 10 no GB AAH15500 . "Endothelial differentiation-related factor 1 [Homo sapiens]" . . . . . 100.00 148 100.00 100.00 1.77e-57 . . . . 4294 1 11 no GB AAH23472 . "Endothelial differentiation-related factor 1 [Mus musculus]" . . . . . 100.00 148 97.83 100.00 3.52e-56 . . . . 4294 1 12 no GB AAI02247 . "Endothelial differentiation-related factor 1 [Bos taurus]" . . . . . 100.00 148 100.00 100.00 1.77e-57 . . . . 4294 1 13 no GB AAI58850 . "Endothelial differentiation-related factor 1 [Rattus norvegicus]" . . . . . 100.00 148 97.83 100.00 3.52e-56 . . . . 4294 1 14 no GB AAP88865 . "endothelial differentiation-related factor 1 [Homo sapiens]" . . . . . 100.00 148 100.00 100.00 1.77e-57 . . . . 4294 1 15 no REF NP_001030384 . "endothelial differentiation-related factor 1 [Bos taurus]" . . . . . 100.00 148 100.00 100.00 1.77e-57 . . . . 4294 1 16 no REF NP_001100027 . "endothelial differentiation-related factor 1 [Rattus norvegicus]" . . . . . 100.00 148 97.83 100.00 3.52e-56 . . . . 4294 1 17 no REF NP_001180526 . "endothelial differentiation-related factor 1 [Macaca mulatta]" . . . . . 100.00 148 100.00 100.00 1.77e-57 . . . . 4294 1 18 no REF NP_003783 . "endothelial differentiation-related factor 1 isoform alpha [Homo sapiens]" . . . . . 100.00 148 100.00 100.00 1.77e-57 . . . . 4294 1 19 no REF NP_067494 . "endothelial differentiation-related factor 1 [Mus musculus]" . . . . . 100.00 148 97.83 100.00 3.52e-56 . . . . 4294 1 20 no SP O60869 . "RecName: Full=Endothelial differentiation-related factor 1; Short=EDF-1; AltName: Full=Multiprotein-bridging factor 1; Short=MB" . . . . . 100.00 148 100.00 100.00 1.77e-57 . . . . 4294 1 21 no SP P69736 . "RecName: Full=Endothelial differentiation-related factor 1; Short=EDF-1; AltName: Full=Calmodulin-associated peptide 19; Short=" . . . . . 100.00 148 97.83 100.00 3.52e-56 . . . . 4294 1 22 no SP Q3T0V7 . "RecName: Full=Endothelial differentiation-related factor 1; Short=EDF-1" . . . . . 100.00 148 100.00 100.00 1.77e-57 . . . . 4294 1 23 no SP Q9JMG1 . "RecName: Full=Endothelial differentiation-related factor 1; Short=EDF-1; AltName: Full=Multiprotein-bridging factor 1; Short=MB" . . . . . 100.00 148 97.83 100.00 3.52e-56 . . . . 4294 1 24 no TPG DAA24072 . "TPA: endothelial differentiation-related factor 1 [Bos taurus]" . . . . . 100.00 148 100.00 100.00 1.77e-57 . . . . 4294 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID hMBF1c abbreviation 4294 1 'human Multi Protein Bridging Factor type1' common 4294 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 57 ASN . 4294 1 2 58 THR . 4294 1 3 59 ALA . 4294 1 4 60 LYS . 4294 1 5 61 LEU . 4294 1 6 62 ASP . 4294 1 7 63 ARG . 4294 1 8 64 GLU . 4294 1 9 65 THR . 4294 1 10 66 GLU . 4294 1 11 67 GLU . 4294 1 12 68 LEU . 4294 1 13 69 HIS . 4294 1 14 70 HIS . 4294 1 15 71 ASP . 4294 1 16 72 ARG . 4294 1 17 73 VAL . 4294 1 18 74 THR . 4294 1 19 75 LEU . 4294 1 20 76 GLU . 4294 1 21 77 VAL . 4294 1 22 78 GLY . 4294 1 23 79 LYS . 4294 1 24 80 VAL . 4294 1 25 81 ILE . 4294 1 26 82 GLN . 4294 1 27 83 GLN . 4294 1 28 84 GLY . 4294 1 29 85 ARG . 4294 1 30 86 GLN . 4294 1 31 87 SER . 4294 1 32 88 LYS . 4294 1 33 89 GLY . 4294 1 34 90 LEU . 4294 1 35 91 THR . 4294 1 36 92 GLN . 4294 1 37 93 LYS . 4294 1 38 94 ASP . 4294 1 39 95 LEU . 4294 1 40 96 ALA . 4294 1 41 97 THR . 4294 1 42 98 LYS . 4294 1 43 99 ILE . 4294 1 44 100 ASN . 4294 1 45 101 GLU . 4294 1 46 102 LYS . 4294 1 47 103 PRO . 4294 1 48 104 GLN . 4294 1 49 105 VAL . 4294 1 50 106 ILE . 4294 1 51 107 ALA . 4294 1 52 108 ASP . 4294 1 53 109 TYR . 4294 1 54 110 GLU . 4294 1 55 111 SER . 4294 1 56 112 GLY . 4294 1 57 113 ARG . 4294 1 58 114 ALA . 4294 1 59 115 ILE . 4294 1 60 116 PRO . 4294 1 61 117 ASN . 4294 1 62 118 ASN . 4294 1 63 119 GLN . 4294 1 64 120 VAL . 4294 1 65 121 LEU . 4294 1 66 122 GLY . 4294 1 67 123 LYS . 4294 1 68 124 ILE . 4294 1 69 125 GLU . 4294 1 70 126 ARG . 4294 1 71 127 ALA . 4294 1 72 128 ILE . 4294 1 73 129 GLY . 4294 1 74 130 LEU . 4294 1 75 131 LYS . 4294 1 76 132 LEU . 4294 1 77 133 ARG . 4294 1 78 134 GLY . 4294 1 79 135 LYS . 4294 1 80 136 ASP . 4294 1 81 137 ILE . 4294 1 82 138 GLY . 4294 1 83 139 LYS . 4294 1 84 140 PRO . 4294 1 85 141 ILE . 4294 1 86 142 GLU . 4294 1 87 143 LYS . 4294 1 88 144 GLY . 4294 1 89 145 PRO . 4294 1 90 146 ARG . 4294 1 91 147 ALA . 4294 1 92 148 LYS . 4294 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 . ASN 1 1 4294 1 . THR 2 2 4294 1 . ALA 3 3 4294 1 . LYS 4 4 4294 1 . LEU 5 5 4294 1 . ASP 6 6 4294 1 . ARG 7 7 4294 1 . GLU 8 8 4294 1 . THR 9 9 4294 1 . GLU 10 10 4294 1 . GLU 11 11 4294 1 . LEU 12 12 4294 1 . HIS 13 13 4294 1 . HIS 14 14 4294 1 . ASP 15 15 4294 1 . ARG 16 16 4294 1 . VAL 17 17 4294 1 . THR 18 18 4294 1 . LEU 19 19 4294 1 . GLU 20 20 4294 1 . VAL 21 21 4294 1 . GLY 22 22 4294 1 . LYS 23 23 4294 1 . VAL 24 24 4294 1 . ILE 25 25 4294 1 . GLN 26 26 4294 1 . GLN 27 27 4294 1 . GLY 28 28 4294 1 . ARG 29 29 4294 1 . GLN 30 30 4294 1 . SER 31 31 4294 1 . LYS 32 32 4294 1 . GLY 33 33 4294 1 . LEU 34 34 4294 1 . THR 35 35 4294 1 . GLN 36 36 4294 1 . LYS 37 37 4294 1 . ASP 38 38 4294 1 . LEU 39 39 4294 1 . ALA 40 40 4294 1 . THR 41 41 4294 1 . LYS 42 42 4294 1 . ILE 43 43 4294 1 . ASN 44 44 4294 1 . GLU 45 45 4294 1 . LYS 46 46 4294 1 . PRO 47 47 4294 1 . GLN 48 48 4294 1 . VAL 49 49 4294 1 . ILE 50 50 4294 1 . ALA 51 51 4294 1 . ASP 52 52 4294 1 . TYR 53 53 4294 1 . GLU 54 54 4294 1 . SER 55 55 4294 1 . GLY 56 56 4294 1 . ARG 57 57 4294 1 . ALA 58 58 4294 1 . ILE 59 59 4294 1 . PRO 60 60 4294 1 . ASN 61 61 4294 1 . ASN 62 62 4294 1 . GLN 63 63 4294 1 . VAL 64 64 4294 1 . LEU 65 65 4294 1 . GLY 66 66 4294 1 . LYS 67 67 4294 1 . ILE 68 68 4294 1 . GLU 69 69 4294 1 . ARG 70 70 4294 1 . ALA 71 71 4294 1 . ILE 72 72 4294 1 . GLY 73 73 4294 1 . LEU 74 74 4294 1 . LYS 75 75 4294 1 . LEU 76 76 4294 1 . ARG 77 77 4294 1 . GLY 78 78 4294 1 . LYS 79 79 4294 1 . ASP 80 80 4294 1 . ILE 81 81 4294 1 . GLY 82 82 4294 1 . LYS 83 83 4294 1 . PRO 84 84 4294 1 . ILE 85 85 4294 1 . GLU 86 86 4294 1 . LYS 87 87 4294 1 . GLY 88 88 4294 1 . PRO 89 89 4294 1 . ARG 90 90 4294 1 . ALA 91 91 4294 1 . LYS 92 92 4294 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 4294 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $hMBF1c . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4294 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 4294 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $hMBF1c . recombinant_technology . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4294 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4294 _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 'human Multi Protein Bridging Factor type1' . . . 1 $hMBF1c . . . 0.50 2.0 mM . . . . 4294 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4294 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.2 n/a 4294 1 temperature 310 0.5 K 4294 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4294 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 4294 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 4294 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 4294 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 4294 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4294 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.25144952 external_to_the_sample cylindrical parallel_to_Bo 1 $entry_citation . . 1 $entry_citation 4294 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external indirect 1 external_to_the_sample cylindrical parallel_to_Bo 1 $entry_citation . . 1 $entry_citation 4294 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.10132905 external_to_the_sample cylindrical parallel_to_Bo 1 $entry_citation . . 1 $entry_citation 4294 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4294 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4294 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASN HA H 1 4.84 . . 1 . . . . . . . . 4294 1 2 . 1 1 1 1 ASN HB2 H 1 2.83 . . 2 . . . . . . . . 4294 1 3 . 1 1 1 1 ASN CA C 13 53.35 . . 1 . . . . . . . . 4294 1 4 . 1 1 1 1 ASN CB C 13 37.99 . . 1 . . . . . . . . 4294 1 5 . 1 1 2 2 THR H H 1 8.23 . . 1 . . . . . . . . 4294 1 6 . 1 1 2 2 THR HA H 1 4.33 . . 1 . . . . . . . . 4294 1 7 . 1 1 2 2 THR HB H 1 4.10 . . 1 . . . . . . . . 4294 1 8 . 1 1 2 2 THR HG21 H 1 1.40 . . 1 . . . . . . . . 4294 1 9 . 1 1 2 2 THR HG22 H 1 1.40 . . 1 . . . . . . . . 4294 1 10 . 1 1 2 2 THR HG23 H 1 1.40 . . 1 . . . . . . . . 4294 1 11 . 1 1 2 2 THR CA C 13 61.86 . . 1 . . . . . . . . 4294 1 12 . 1 1 2 2 THR CB C 13 69.10 . . 1 . . . . . . . . 4294 1 13 . 1 1 2 2 THR CG2 C 13 21.88 . . 1 . . . . . . . . 4294 1 14 . 1 1 2 2 THR N N 15 116.22 . . 1 . . . . . . . . 4294 1 15 . 1 1 3 3 ALA H H 1 8.23 . . 1 . . . . . . . . 4294 1 16 . 1 1 3 3 ALA HA H 1 4.32 . . 1 . . . . . . . . 4294 1 17 . 1 1 3 3 ALA HB1 H 1 1.39 . . 1 . . . . . . . . 4294 1 18 . 1 1 3 3 ALA HB2 H 1 1.39 . . 1 . . . . . . . . 4294 1 19 . 1 1 3 3 ALA HB3 H 1 1.39 . . 1 . . . . . . . . 4294 1 20 . 1 1 3 3 ALA C C 13 177.54 . . 1 . . . . . . . . 4294 1 21 . 1 1 3 3 ALA CA C 13 52.72 . . 1 . . . . . . . . 4294 1 22 . 1 1 3 3 ALA CB C 13 19.34 . . 1 . . . . . . . . 4294 1 23 . 1 1 3 3 ALA N N 15 127.20 . . 1 . . . . . . . . 4294 1 24 . 1 1 4 4 LYS H H 1 8.15 . . 1 . . . . . . . . 4294 1 25 . 1 1 4 4 LYS HA H 1 4.28 . . 1 . . . . . . . . 4294 1 26 . 1 1 4 4 LYS HB2 H 1 1.80 . . 2 . . . . . . . . 4294 1 27 . 1 1 4 4 LYS HB3 H 1 1.70 . . 2 . . . . . . . . 4294 1 28 . 1 1 4 4 LYS HG2 H 1 1.23 . . 2 . . . . . . . . 4294 1 29 . 1 1 4 4 LYS HD2 H 1 1.40 . . 2 . . . . . . . . 4294 1 30 . 1 1 4 4 LYS HE2 H 1 2.99 . . 2 . . . . . . . . 4294 1 31 . 1 1 4 4 LYS C C 13 176.43 . . 1 . . . . . . . . 4294 1 32 . 1 1 4 4 LYS CA C 13 56.30 . . 1 . . . . . . . . 4294 1 33 . 1 1 4 4 LYS CB C 13 32.99 . . 1 . . . . . . . . 4294 1 34 . 1 1 4 4 LYS CG C 13 24.76 . . 1 . . . . . . . . 4294 1 35 . 1 1 4 4 LYS CD C 13 29.48 . . 1 . . . . . . . . 4294 1 36 . 1 1 4 4 LYS CE C 13 42.14 . . 1 . . . . . . . . 4294 1 37 . 1 1 4 4 LYS N N 15 121.52 . . 1 . . . . . . . . 4294 1 38 . 1 1 5 5 LEU H H 1 8.21 . . 1 . . . . . . . . 4294 1 39 . 1 1 5 5 LEU HA H 1 4.36 . . 1 . . . . . . . . 4294 1 40 . 1 1 5 5 LEU HB2 H 1 1.62 . . 2 . . . . . . . . 4294 1 41 . 1 1 5 5 LEU HG H 1 1.61 . . 1 . . . . . . . . 4294 1 42 . 1 1 5 5 LEU HD11 H 1 0.86 . . 1 . . . . . . . . 4294 1 43 . 1 1 5 5 LEU HD12 H 1 0.86 . . 1 . . . . . . . . 4294 1 44 . 1 1 5 5 LEU HD13 H 1 0.86 . . 1 . . . . . . . . 4294 1 45 . 1 1 5 5 LEU HD21 H 1 0.91 . . 1 . . . . . . . . 4294 1 46 . 1 1 5 5 LEU HD22 H 1 0.91 . . 1 . . . . . . . . 4294 1 47 . 1 1 5 5 LEU HD23 H 1 0.91 . . 1 . . . . . . . . 4294 1 48 . 1 1 5 5 LEU C C 13 177.11 . . 1 . . . . . . . . 4294 1 49 . 1 1 5 5 LEU CA C 13 55.34 . . 1 . . . . . . . . 4294 1 50 . 1 1 5 5 LEU CB C 13 42.62 . . 1 . . . . . . . . 4294 1 51 . 1 1 5 5 LEU CG C 13 27.17 . . 1 . . . . . . . . 4294 1 52 . 1 1 5 5 LEU CD1 C 13 23.70 . . 1 . . . . . . . . 4294 1 53 . 1 1 5 5 LEU CD2 C 13 24.86 . . 1 . . . . . . . . 4294 1 54 . 1 1 5 5 LEU N N 15 124.66 . . 1 . . . . . . . . 4294 1 55 . 1 1 6 6 ASP H H 1 8.28 . . 1 . . . . . . . . 4294 1 56 . 1 1 6 6 ASP HA H 1 4.58 . . 1 . . . . . . . . 4294 1 57 . 1 1 6 6 ASP HB2 H 1 2.65 . . 2 . . . . . . . . 4294 1 58 . 1 1 6 6 ASP C C 13 176.21 . . 1 . . . . . . . . 4294 1 59 . 1 1 6 6 ASP CA C 13 54.53 . . 1 . . . . . . . . 4294 1 60 . 1 1 6 6 ASP CB C 13 40.33 . . 1 . . . . . . . . 4294 1 61 . 1 1 6 6 ASP N N 15 122.27 . . 1 . . . . . . . . 4294 1 62 . 1 1 7 7 ARG H H 1 8.15 . . 1 . . . . . . . . 4294 1 63 . 1 1 7 7 ARG HA H 1 4.31 . . 1 . . . . . . . . 4294 1 64 . 1 1 7 7 ARG HB2 H 1 1.86 . . 2 . . . . . . . . 4294 1 65 . 1 1 7 7 ARG HG2 H 1 1.62 . . 2 . . . . . . . . 4294 1 66 . 1 1 7 7 ARG HG3 H 1 1.78 . . 2 . . . . . . . . 4294 1 67 . 1 1 7 7 ARG HD2 H 1 3.19 . . 2 . . . . . . . . 4294 1 68 . 1 1 7 7 ARG C C 13 176.54 . . 1 . . . . . . . . 4294 1 69 . 1 1 7 7 ARG CA C 13 56.30 . . 1 . . . . . . . . 4294 1 70 . 1 1 7 7 ARG CB C 13 30.63 . . 1 . . . . . . . . 4294 1 71 . 1 1 7 7 ARG CG C 13 27.18 . . 1 . . . . . . . . 4294 1 72 . 1 1 7 7 ARG CD C 13 43.40 . . 1 . . . . . . . . 4294 1 73 . 1 1 7 7 ARG N N 15 121.38 . . 1 . . . . . . . . 4294 1 74 . 1 1 8 8 GLU H H 1 8.47 . . 1 . . . . . . . . 4294 1 75 . 1 1 8 8 GLU HA H 1 4.28 . . 1 . . . . . . . . 4294 1 76 . 1 1 8 8 GLU HB2 H 1 2.02 . . 2 . . . . . . . . 4294 1 77 . 1 1 8 8 GLU HG2 H 1 2.28 . . 2 . . . . . . . . 4294 1 78 . 1 1 8 8 GLU C C 13 177.06 . . 1 . . . . . . . . 4294 1 79 . 1 1 8 8 GLU N N 15 122.23 . . 1 . . . . . . . . 4294 1 80 . 1 1 9 9 THR H H 1 8.02 . . 1 . . . . . . . . 4294 1 81 . 1 1 9 9 THR HA H 1 4.29 . . 1 . . . . . . . . 4294 1 82 . 1 1 9 9 THR HG21 H 1 1.21 . . 1 . . . . . . . . 4294 1 83 . 1 1 9 9 THR HG22 H 1 1.21 . . 1 . . . . . . . . 4294 1 84 . 1 1 9 9 THR HG23 H 1 1.21 . . 1 . . . . . . . . 4294 1 85 . 1 1 9 9 THR C C 13 174.79 . . 1 . . . . . . . . 4294 1 86 . 1 1 9 9 THR CA C 13 62.28 . . 1 . . . . . . . . 4294 1 87 . 1 1 9 9 THR CG2 C 13 21.83 . . 1 . . . . . . . . 4294 1 88 . 1 1 9 9 THR N N 15 115.15 . . 1 . . . . . . . . 4294 1 89 . 1 1 10 10 GLU H H 1 8.28 . . 1 . . . . . . . . 4294 1 90 . 1 1 10 10 GLU HA H 1 4.24 . . 1 . . . . . . . . 4294 1 91 . 1 1 10 10 GLU HB2 H 1 2.01 . . 2 . . . . . . . . 4294 1 92 . 1 1 10 10 GLU HG2 H 1 2.25 . . 2 . . . . . . . . 4294 1 93 . 1 1 10 10 GLU C C 13 176.62 . . 1 . . . . . . . . 4294 1 94 . 1 1 10 10 GLU CA C 13 57.04 . . 1 . . . . . . . . 4294 1 95 . 1 1 10 10 GLU CB C 13 30.52 . . 1 . . . . . . . . 4294 1 96 . 1 1 10 10 GLU CG C 13 36.38 . . 1 . . . . . . . . 4294 1 97 . 1 1 10 10 GLU N N 15 123.88 . . 1 . . . . . . . . 4294 1 98 . 1 1 11 11 GLU H H 1 8.30 . . 1 . . . . . . . . 4294 1 99 . 1 1 11 11 GLU HA H 1 4.19 . . 1 . . . . . . . . 4294 1 100 . 1 1 11 11 GLU HB2 H 1 1.93 . . 2 . . . . . . . . 4294 1 101 . 1 1 11 11 GLU HG2 H 1 2.22 . . 2 . . . . . . . . 4294 1 102 . 1 1 11 11 GLU C C 13 176.38 . . 1 . . . . . . . . 4294 1 103 . 1 1 11 11 GLU CA C 13 56.86 . . 1 . . . . . . . . 4294 1 104 . 1 1 11 11 GLU CB C 13 30.41 . . 1 . . . . . . . . 4294 1 105 . 1 1 11 11 GLU CG C 13 36.36 . . 1 . . . . . . . . 4294 1 106 . 1 1 11 11 GLU N N 15 122.38 . . 1 . . . . . . . . 4294 1 107 . 1 1 12 12 LEU H H 1 8.03 . . 1 . . . . . . . . 4294 1 108 . 1 1 12 12 LEU HA H 1 4.25 . . 1 . . . . . . . . 4294 1 109 . 1 1 12 12 LEU HB2 H 1 1.53 . . 2 . . . . . . . . 4294 1 110 . 1 1 12 12 LEU HB3 H 1 1.40 . . 2 . . . . . . . . 4294 1 111 . 1 1 12 12 LEU HG H 1 1.53 . . 1 . . . . . . . . 4294 1 112 . 1 1 12 12 LEU HD11 H 1 0.82 . . 1 . . . . . . . . 4294 1 113 . 1 1 12 12 LEU HD12 H 1 0.82 . . 1 . . . . . . . . 4294 1 114 . 1 1 12 12 LEU HD13 H 1 0.82 . . 1 . . . . . . . . 4294 1 115 . 1 1 12 12 LEU C C 13 177.12 . . 1 . . . . . . . . 4294 1 116 . 1 1 12 12 LEU CA C 13 55.37 . . 1 . . . . . . . . 4294 1 117 . 1 1 12 12 LEU CB C 13 42.53 . . 1 . . . . . . . . 4294 1 118 . 1 1 12 12 LEU CG C 13 27.17 . . 1 . . . . . . . . 4294 1 119 . 1 1 12 12 LEU CD1 C 13 23.67 . . 1 . . . . . . . . 4294 1 120 . 1 1 12 12 LEU N N 15 123.36 . . 1 . . . . . . . . 4294 1 121 . 1 1 13 13 HIS H H 1 8.24 . . 1 . . . . . . . . 4294 1 122 . 1 1 13 13 HIS HA H 1 4.66 . . 1 . . . . . . . . 4294 1 123 . 1 1 13 13 HIS HB2 H 1 3.10 . . 2 . . . . . . . . 4294 1 124 . 1 1 13 13 HIS HB3 H 1 3.17 . . 2 . . . . . . . . 4294 1 125 . 1 1 13 13 HIS C C 13 174.90 . . 1 . . . . . . . . 4294 1 126 . 1 1 13 13 HIS CA C 13 55.66 . . 1 . . . . . . . . 4294 1 127 . 1 1 13 13 HIS CB C 13 30.03 . . 1 . . . . . . . . 4294 1 128 . 1 1 13 13 HIS N N 15 119.98 . . 1 . . . . . . . . 4294 1 129 . 1 1 17 17 VAL H H 1 8.15 . . 1 . . . . . . . . 4294 1 130 . 1 1 17 17 VAL HA H 1 4.09 . . 1 . . . . . . . . 4294 1 131 . 1 1 17 17 VAL HB H 1 2.01 . . 1 . . . . . . . . 4294 1 132 . 1 1 17 17 VAL HG11 H 1 0.94 . . 1 . . . . . . . . 4294 1 133 . 1 1 17 17 VAL HG12 H 1 0.94 . . 1 . . . . . . . . 4294 1 134 . 1 1 17 17 VAL HG13 H 1 0.94 . . 1 . . . . . . . . 4294 1 135 . 1 1 17 17 VAL C C 13 176.24 . . 1 . . . . . . . . 4294 1 136 . 1 1 17 17 VAL CA C 13 63.18 . . 1 . . . . . . . . 4294 1 137 . 1 1 17 17 VAL CB C 13 32.61 . . 1 . . . . . . . . 4294 1 138 . 1 1 17 17 VAL CG1 C 13 21.22 . . 1 . . . . . . . . 4294 1 139 . 1 1 17 17 VAL N N 15 122.15 . . 1 . . . . . . . . 4294 1 140 . 1 1 18 18 THR H H 1 8.07 . . 1 . . . . . . . . 4294 1 141 . 1 1 18 18 THR HA H 1 4.26 . . 1 . . . . . . . . 4294 1 142 . 1 1 18 18 THR HB H 1 1.21 . . 1 . . . . . . . . 4294 1 143 . 1 1 18 18 THR HG21 H 1 0.88 . . 1 . . . . . . . . 4294 1 144 . 1 1 18 18 THR HG22 H 1 0.88 . . 1 . . . . . . . . 4294 1 145 . 1 1 18 18 THR HG23 H 1 0.88 . . 1 . . . . . . . . 4294 1 146 . 1 1 18 18 THR C C 13 175.32 . . 1 . . . . . . . . 4294 1 147 . 1 1 18 18 THR CA C 13 62.23 . . 1 . . . . . . . . 4294 1 148 . 1 1 18 18 THR CB C 13 68.31 . . 1 . . . . . . . . 4294 1 149 . 1 1 18 18 THR CG2 C 13 21.93 . . 1 . . . . . . . . 4294 1 150 . 1 1 18 18 THR N N 15 117.90 . . 1 . . . . . . . . 4294 1 151 . 1 1 19 19 LEU H H 1 8.21 . . 1 . . . . . . . . 4294 1 152 . 1 1 19 19 LEU HA H 1 4.27 . . 1 . . . . . . . . 4294 1 153 . 1 1 19 19 LEU HB2 H 1 1.64 . . 2 . . . . . . . . 4294 1 154 . 1 1 19 19 LEU HD11 H 1 0.86 . . 1 . . . . . . . . 4294 1 155 . 1 1 19 19 LEU HD12 H 1 0.86 . . 1 . . . . . . . . 4294 1 156 . 1 1 19 19 LEU HD13 H 1 0.86 . . 1 . . . . . . . . 4294 1 157 . 1 1 19 19 LEU HD21 H 1 0.91 . . 1 . . . . . . . . 4294 1 158 . 1 1 19 19 LEU HD22 H 1 0.91 . . 1 . . . . . . . . 4294 1 159 . 1 1 19 19 LEU HD23 H 1 0.91 . . 1 . . . . . . . . 4294 1 160 . 1 1 19 19 LEU C C 13 177.72 . . 1 . . . . . . . . 4294 1 161 . 1 1 19 19 LEU CA C 13 55.93 . . 1 . . . . . . . . 4294 1 162 . 1 1 19 19 LEU CB C 13 42.49 . . 1 . . . . . . . . 4294 1 163 . 1 1 19 19 LEU CG C 13 27.15 . . 1 . . . . . . . . 4294 1 164 . 1 1 19 19 LEU CD1 C 13 23.74 . . 1 . . . . . . . . 4294 1 165 . 1 1 19 19 LEU N N 15 124.83 . . 1 . . . . . . . . 4294 1 166 . 1 1 20 20 GLU H H 1 8.28 . . 1 . . . . . . . . 4294 1 167 . 1 1 20 20 GLU HA H 1 4.22 . . 1 . . . . . . . . 4294 1 168 . 1 1 20 20 GLU HB2 H 1 2.03 . . 2 . . . . . . . . 4294 1 169 . 1 1 20 20 GLU HG2 H 1 2.30 . . 2 . . . . . . . . 4294 1 170 . 1 1 20 20 GLU C C 13 178.08 . . 1 . . . . . . . . 4294 1 171 . 1 1 20 20 GLU N N 15 121.54 . . 1 . . . . . . . . 4294 1 172 . 1 1 21 21 VAL H H 1 8.15 . . 1 . . . . . . . . 4294 1 173 . 1 1 21 21 VAL HA H 1 3.62 . . 1 . . . . . . . . 4294 1 174 . 1 1 21 21 VAL HB H 1 2.19 . . 1 . . . . . . . . 4294 1 175 . 1 1 21 21 VAL HG11 H 1 1.00 . . 1 . . . . . . . . 4294 1 176 . 1 1 21 21 VAL HG12 H 1 1.00 . . 1 . . . . . . . . 4294 1 177 . 1 1 21 21 VAL HG13 H 1 1.00 . . 1 . . . . . . . . 4294 1 178 . 1 1 21 21 VAL HG21 H 1 1.12 . . 1 . . . . . . . . 4294 1 179 . 1 1 21 21 VAL HG22 H 1 1.12 . . 1 . . . . . . . . 4294 1 180 . 1 1 21 21 VAL HG23 H 1 1.12 . . 1 . . . . . . . . 4294 1 181 . 1 1 21 21 VAL C C 13 177.48 . . 1 . . . . . . . . 4294 1 182 . 1 1 21 21 VAL CA C 13 66.38 . . 1 . . . . . . . . 4294 1 183 . 1 1 21 21 VAL CB C 13 32.22 . . 1 . . . . . . . . 4294 1 184 . 1 1 21 21 VAL CG1 C 13 21.20 . . 1 . . . . . . . . 4294 1 185 . 1 1 21 21 VAL CG2 C 13 23.43 . . 1 . . . . . . . . 4294 1 186 . 1 1 21 21 VAL N N 15 122.44 . . 1 . . . . . . . . 4294 1 187 . 1 1 22 22 GLY H H 1 8.60 . . 1 . . . . . . . . 4294 1 188 . 1 1 22 22 GLY HA2 H 1 3.72 . . 2 . . . . . . . . 4294 1 189 . 1 1 22 22 GLY HA3 H 1 4.14 . . 2 . . . . . . . . 4294 1 190 . 1 1 22 22 GLY C C 13 175.84 . . 1 . . . . . . . . 4294 1 191 . 1 1 22 22 GLY CA C 13 48.90 . . 1 . . . . . . . . 4294 1 192 . 1 1 22 22 GLY N N 15 127.30 . . 1 . . . . . . . . 4294 1 193 . 1 1 23 23 LYS H H 1 7.54 . . 1 . . . . . . . . 4294 1 194 . 1 1 23 23 LYS HA H 1 4.18 . . 1 . . . . . . . . 4294 1 195 . 1 1 23 23 LYS HB2 H 1 1.96 . . 2 . . . . . . . . 4294 1 196 . 1 1 23 23 LYS HG2 H 1 1.48 . . 2 . . . . . . . . 4294 1 197 . 1 1 23 23 LYS HG3 H 1 1.59 . . 2 . . . . . . . . 4294 1 198 . 1 1 23 23 LYS HD2 H 1 1.70 . . 2 . . . . . . . . 4294 1 199 . 1 1 23 23 LYS HE2 H 1 2.97 . . 2 . . . . . . . . 4294 1 200 . 1 1 23 23 LYS C C 13 179.21 . . 1 . . . . . . . . 4294 1 201 . 1 1 23 23 LYS CA C 13 58.62 . . 1 . . . . . . . . 4294 1 202 . 1 1 23 23 LYS CB C 13 32.30 . . 1 . . . . . . . . 4294 1 203 . 1 1 23 23 LYS CG C 13 25.30 . . 1 . . . . . . . . 4294 1 204 . 1 1 23 23 LYS CD C 13 29.31 . . 1 . . . . . . . . 4294 1 205 . 1 1 23 23 LYS CE C 13 42.21 . . 1 . . . . . . . . 4294 1 206 . 1 1 23 23 LYS N N 15 120.39 . . 1 . . . . . . . . 4294 1 207 . 1 1 24 24 VAL H H 1 7.66 . . 1 . . . . . . . . 4294 1 208 . 1 1 24 24 VAL HA H 1 3.67 . . 1 . . . . . . . . 4294 1 209 . 1 1 24 24 VAL HB H 1 2.13 . . 1 . . . . . . . . 4294 1 210 . 1 1 24 24 VAL HG11 H 1 0.87 . . 1 . . . . . . . . 4294 1 211 . 1 1 24 24 VAL HG12 H 1 0.87 . . 1 . . . . . . . . 4294 1 212 . 1 1 24 24 VAL HG13 H 1 0.87 . . 1 . . . . . . . . 4294 1 213 . 1 1 24 24 VAL HG21 H 1 0.99 . . 1 . . . . . . . . 4294 1 214 . 1 1 24 24 VAL HG22 H 1 0.99 . . 1 . . . . . . . . 4294 1 215 . 1 1 24 24 VAL HG23 H 1 0.99 . . 1 . . . . . . . . 4294 1 216 . 1 1 24 24 VAL C C 13 178.67 . . 1 . . . . . . . . 4294 1 217 . 1 1 24 24 VAL CA C 13 66.29 . . 1 . . . . . . . . 4294 1 218 . 1 1 24 24 VAL CB C 13 31.53 . . 1 . . . . . . . . 4294 1 219 . 1 1 24 24 VAL CG1 C 13 23.43 . . 1 . . . . . . . . 4294 1 220 . 1 1 24 24 VAL CG2 C 13 22.78 . . 1 . . . . . . . . 4294 1 221 . 1 1 24 24 VAL N N 15 122.34 . . 1 . . . . . . . . 4294 1 222 . 1 1 25 25 ILE H H 1 8.24 . . 1 . . . . . . . . 4294 1 223 . 1 1 25 25 ILE HA H 1 3.43 . . 1 . . . . . . . . 4294 1 224 . 1 1 25 25 ILE HB H 1 2.02 . . 1 . . . . . . . . 4294 1 225 . 1 1 25 25 ILE HG12 H 1 2.08 . . 2 . . . . . . . . 4294 1 226 . 1 1 25 25 ILE HG13 H 1 0.76 . . 2 . . . . . . . . 4294 1 227 . 1 1 25 25 ILE HG21 H 1 0.99 . . 1 . . . . . . . . 4294 1 228 . 1 1 25 25 ILE HG22 H 1 0.99 . . 1 . . . . . . . . 4294 1 229 . 1 1 25 25 ILE HG23 H 1 0.99 . . 1 . . . . . . . . 4294 1 230 . 1 1 25 25 ILE HD11 H 1 0.82 . . 1 . . . . . . . . 4294 1 231 . 1 1 25 25 ILE HD12 H 1 0.82 . . 1 . . . . . . . . 4294 1 232 . 1 1 25 25 ILE HD13 H 1 0.82 . . 1 . . . . . . . . 4294 1 233 . 1 1 25 25 ILE C C 13 177.08 . . 1 . . . . . . . . 4294 1 234 . 1 1 25 25 ILE CA C 13 66.48 . . 1 . . . . . . . . 4294 1 235 . 1 1 25 25 ILE CB C 13 38.09 . . 1 . . . . . . . . 4294 1 236 . 1 1 25 25 ILE CG1 C 13 30.17 . . 1 . . . . . . . . 4294 1 237 . 1 1 25 25 ILE CG2 C 13 16.98 . . 1 . . . . . . . . 4294 1 238 . 1 1 25 25 ILE CD1 C 13 14.44 . . 1 . . . . . . . . 4294 1 239 . 1 1 25 25 ILE N N 15 120.93 . . 1 . . . . . . . . 4294 1 240 . 1 1 26 26 GLN H H 1 7.89 . . 1 . . . . . . . . 4294 1 241 . 1 1 26 26 GLN HA H 1 3.90 . . 1 . . . . . . . . 4294 1 242 . 1 1 26 26 GLN HB2 H 1 2.14 . . 2 . . . . . . . . 4294 1 243 . 1 1 26 26 GLN HB3 H 1 2.01 . . 2 . . . . . . . . 4294 1 244 . 1 1 26 26 GLN HG2 H 1 2.43 . . 2 . . . . . . . . 4294 1 245 . 1 1 26 26 GLN HG3 H 1 2.10 . . 2 . . . . . . . . 4294 1 246 . 1 1 26 26 GLN C C 13 178.18 . . 1 . . . . . . . . 4294 1 247 . 1 1 26 26 GLN CA C 13 60.05 . . 1 . . . . . . . . 4294 1 248 . 1 1 26 26 GLN CB C 13 29.37 . . 1 . . . . . . . . 4294 1 249 . 1 1 26 26 GLN CG C 13 34.12 . . 1 . . . . . . . . 4294 1 250 . 1 1 26 26 GLN N N 15 119.36 . . 1 . . . . . . . . 4294 1 251 . 1 1 27 27 GLN H H 1 8.34 . . 1 . . . . . . . . 4294 1 252 . 1 1 27 27 GLN HA H 1 4.05 . . 1 . . . . . . . . 4294 1 253 . 1 1 27 27 GLN HB2 H 1 2.16 . . 2 . . . . . . . . 4294 1 254 . 1 1 27 27 GLN C C 13 179.91 . . 1 . . . . . . . . 4294 1 255 . 1 1 27 27 GLN CA C 13 58.89 . . 1 . . . . . . . . 4294 1 256 . 1 1 27 27 GLN CB C 13 28.50 . . 1 . . . . . . . . 4294 1 257 . 1 1 27 27 GLN CG C 13 34.06 . . 1 . . . . . . . . 4294 1 258 . 1 1 27 27 GLN N N 15 119.36 . . 1 . . . . . . . . 4294 1 259 . 1 1 28 28 GLY H H 1 9.02 . . 1 . . . . . . . . 4294 1 260 . 1 1 28 28 GLY HA2 H 1 3.92 . . 2 . . . . . . . . 4294 1 261 . 1 1 28 28 GLY HA3 H 1 3.60 . . 2 . . . . . . . . 4294 1 262 . 1 1 28 28 GLY C C 13 176.27 . . 1 . . . . . . . . 4294 1 263 . 1 1 28 28 GLY CA C 13 47.22 . . 1 . . . . . . . . 4294 1 264 . 1 1 28 28 GLY N N 15 128.56 . . 1 . . . . . . . . 4294 1 265 . 1 1 29 29 ARG H H 1 9.10 . . 1 . . . . . . . . 4294 1 266 . 1 1 29 29 ARG HA H 1 3.93 . . 1 . . . . . . . . 4294 1 267 . 1 1 29 29 ARG HB2 H 1 1.55 . . 2 . . . . . . . . 4294 1 268 . 1 1 29 29 ARG HB3 H 1 1.79 . . 2 . . . . . . . . 4294 1 269 . 1 1 29 29 ARG HG2 H 1 1.80 . . 2 . . . . . . . . 4294 1 270 . 1 1 29 29 ARG HG3 H 1 2.12 . . 2 . . . . . . . . 4294 1 271 . 1 1 29 29 ARG HD2 H 1 2.72 . . 2 . . . . . . . . 4294 1 272 . 1 1 29 29 ARG C C 13 178.89 . . 1 . . . . . . . . 4294 1 273 . 1 1 29 29 ARG CA C 13 60.85 . . 1 . . . . . . . . 4294 1 274 . 1 1 29 29 ARG CB C 13 28.89 . . 1 . . . . . . . . 4294 1 275 . 1 1 29 29 ARG CG C 13 28.29 . . 1 . . . . . . . . 4294 1 276 . 1 1 29 29 ARG CD C 13 42.10 . . 1 . . . . . . . . 4294 1 277 . 1 1 29 29 ARG N N 15 123.15 . . 1 . . . . . . . . 4294 1 278 . 1 1 30 30 GLN H H 1 8.38 . . 1 . . . . . . . . 4294 1 279 . 1 1 30 30 GLN HA H 1 4.16 . . 1 . . . . . . . . 4294 1 280 . 1 1 30 30 GLN HB2 H 1 2.14 . . 2 . . . . . . . . 4294 1 281 . 1 1 30 30 GLN HB3 H 1 2.29 . . 2 . . . . . . . . 4294 1 282 . 1 1 30 30 GLN HG2 H 1 2.41 . . 2 . . . . . . . . 4294 1 283 . 1 1 30 30 GLN HG3 H 1 2.63 . . 2 . . . . . . . . 4294 1 284 . 1 1 30 30 GLN C C 13 180.56 . . 1 . . . . . . . . 4294 1 285 . 1 1 30 30 GLN CA C 13 59.30 . . 1 . . . . . . . . 4294 1 286 . 1 1 30 30 GLN CB C 13 28.05 . . 1 . . . . . . . . 4294 1 287 . 1 1 30 30 GLN CG C 13 34.70 . . 1 . . . . . . . . 4294 1 288 . 1 1 30 30 GLN N N 15 120.38 . . 1 . . . . . . . . 4294 1 289 . 1 1 31 31 SER H H 1 8.35 . . 1 . . . . . . . . 4294 1 290 . 1 1 31 31 SER HA H 1 4.33 . . 1 . . . . . . . . 4294 1 291 . 1 1 31 31 SER HB2 H 1 4.10 . . 2 . . . . . . . . 4294 1 292 . 1 1 31 31 SER C C 13 175.66 . . 1 . . . . . . . . 4294 1 293 . 1 1 31 31 SER CA C 13 61.62 . . 1 . . . . . . . . 4294 1 294 . 1 1 31 31 SER CB C 13 63.99 . . 1 . . . . . . . . 4294 1 295 . 1 1 31 31 SER N N 15 117.56 . . 1 . . . . . . . . 4294 1 296 . 1 1 32 32 LYS H H 1 7.27 . . 1 . . . . . . . . 4294 1 297 . 1 1 32 32 LYS HA H 1 4.48 . . 1 . . . . . . . . 4294 1 298 . 1 1 32 32 LYS HB2 H 1 1.84 . . 2 . . . . . . . . 4294 1 299 . 1 1 32 32 LYS HB3 H 1 2.10 . . 2 . . . . . . . . 4294 1 300 . 1 1 32 32 LYS HG2 H 1 1.66 . . 2 . . . . . . . . 4294 1 301 . 1 1 32 32 LYS HD2 H 1 1.66 . . 2 . . . . . . . . 4294 1 302 . 1 1 32 32 LYS C C 13 176.61 . . 1 . . . . . . . . 4294 1 303 . 1 1 32 32 LYS CA C 13 55.05 . . 1 . . . . . . . . 4294 1 304 . 1 1 32 32 LYS CB C 13 33.43 . . 1 . . . . . . . . 4294 1 305 . 1 1 32 32 LYS CG C 13 24.86 . . 1 . . . . . . . . 4294 1 306 . 1 1 32 32 LYS CD C 13 28.72 . . 1 . . . . . . . . 4294 1 307 . 1 1 32 32 LYS CE C 13 42.06 . . 1 . . . . . . . . 4294 1 308 . 1 1 32 32 LYS N N 15 119.01 . . 1 . . . . . . . . 4294 1 309 . 1 1 33 33 GLY H H 1 7.94 . . 1 . . . . . . . . 4294 1 310 . 1 1 33 33 GLY HA2 H 1 3.85 . . 2 . . . . . . . . 4294 1 311 . 1 1 33 33 GLY HA3 H 1 3.99 . . 2 . . . . . . . . 4294 1 312 . 1 1 33 33 GLY C C 13 174.43 . . 1 . . . . . . . . 4294 1 313 . 1 1 33 33 GLY CA C 13 46.47 . . 1 . . . . . . . . 4294 1 314 . 1 1 33 33 GLY N N 15 128.50 . . 1 . . . . . . . . 4294 1 315 . 1 1 34 34 LEU H H 1 7.65 . . 1 . . . . . . . . 4294 1 316 . 1 1 34 34 LEU HA H 1 4.90 . . 1 . . . . . . . . 4294 1 317 . 1 1 34 34 LEU HB2 H 1 1.65 . . 2 . . . . . . . . 4294 1 318 . 1 1 34 34 LEU HB3 H 1 1.43 . . 2 . . . . . . . . 4294 1 319 . 1 1 34 34 LEU HG H 1 1.46 . . 1 . . . . . . . . 4294 1 320 . 1 1 34 34 LEU HD11 H 1 0.76 . . 1 . . . . . . . . 4294 1 321 . 1 1 34 34 LEU HD12 H 1 0.76 . . 1 . . . . . . . . 4294 1 322 . 1 1 34 34 LEU HD13 H 1 0.76 . . 1 . . . . . . . . 4294 1 323 . 1 1 34 34 LEU HD21 H 1 0.80 . . 1 . . . . . . . . 4294 1 324 . 1 1 34 34 LEU HD22 H 1 0.80 . . 1 . . . . . . . . 4294 1 325 . 1 1 34 34 LEU HD23 H 1 0.80 . . 1 . . . . . . . . 4294 1 326 . 1 1 34 34 LEU C C 13 178.41 . . 1 . . . . . . . . 4294 1 327 . 1 1 34 34 LEU CA C 13 53.24 . . 1 . . . . . . . . 4294 1 328 . 1 1 34 34 LEU CB C 13 44.35 . . 1 . . . . . . . . 4294 1 329 . 1 1 34 34 LEU CG C 13 26.28 . . 1 . . . . . . . . 4294 1 330 . 1 1 34 34 LEU CD1 C 13 26.15 . . 1 . . . . . . . . 4294 1 331 . 1 1 34 34 LEU CD2 C 13 23.29 . . 1 . . . . . . . . 4294 1 332 . 1 1 34 34 LEU N N 15 119.11 . . 1 . . . . . . . . 4294 1 333 . 1 1 35 35 THR H H 1 9.27 . . 1 . . . . . . . . 4294 1 334 . 1 1 35 35 THR HA H 1 4.41 . . 1 . . . . . . . . 4294 1 335 . 1 1 35 35 THR HG21 H 1 1.40 . . 1 . . . . . . . . 4294 1 336 . 1 1 35 35 THR HG22 H 1 1.40 . . 1 . . . . . . . . 4294 1 337 . 1 1 35 35 THR HG23 H 1 1.40 . . 1 . . . . . . . . 4294 1 338 . 1 1 35 35 THR C C 13 176.24 . . 1 . . . . . . . . 4294 1 339 . 1 1 35 35 THR CA C 13 61.61 . . 1 . . . . . . . . 4294 1 340 . 1 1 35 35 THR CG2 C 13 21.88 . . 1 . . . . . . . . 4294 1 341 . 1 1 35 35 THR N N 15 116.34 . . 1 . . . . . . . . 4294 1 342 . 1 1 36 36 GLN H H 1 9.22 . . 1 . . . . . . . . 4294 1 343 . 1 1 36 36 GLN HA H 1 3.66 . . 1 . . . . . . . . 4294 1 344 . 1 1 36 36 GLN HB2 H 1 2.12 . . 2 . . . . . . . . 4294 1 345 . 1 1 36 36 GLN HB3 H 1 1.66 . . 2 . . . . . . . . 4294 1 346 . 1 1 36 36 GLN HG2 H 1 2.61 . . 2 . . . . . . . . 4294 1 347 . 1 1 36 36 GLN C C 13 178.29 . . 1 . . . . . . . . 4294 1 348 . 1 1 36 36 GLN CA C 13 61.15 . . 1 . . . . . . . . 4294 1 349 . 1 1 36 36 GLN CB C 13 28.08 . . 1 . . . . . . . . 4294 1 350 . 1 1 36 36 GLN CG C 13 34.26 . . 1 . . . . . . . . 4294 1 351 . 1 1 36 36 GLN N N 15 121.28 . . 1 . . . . . . . . 4294 1 352 . 1 1 37 37 LYS H H 1 8.26 . . 1 . . . . . . . . 4294 1 353 . 1 1 37 37 LYS HA H 1 3.83 . . 1 . . . . . . . . 4294 1 354 . 1 1 37 37 LYS HB2 H 1 1.82 . . 2 . . . . . . . . 4294 1 355 . 1 1 37 37 LYS HG2 H 1 1.42 . . 2 . . . . . . . . 4294 1 356 . 1 1 37 37 LYS HD2 H 1 1.64 . . 2 . . . . . . . . 4294 1 357 . 1 1 37 37 LYS HD3 H 1 2.15 . . 2 . . . . . . . . 4294 1 358 . 1 1 37 37 LYS HE2 H 1 2.97 . . 2 . . . . . . . . 4294 1 359 . 1 1 37 37 LYS C C 13 178.32 . . 1 . . . . . . . . 4294 1 360 . 1 1 37 37 LYS CA C 13 59.97 . . 1 . . . . . . . . 4294 1 361 . 1 1 37 37 LYS CB C 13 32.25 . . 1 . . . . . . . . 4294 1 362 . 1 1 37 37 LYS CG C 13 25.43 . . 1 . . . . . . . . 4294 1 363 . 1 1 37 37 LYS CD C 13 28.30 . . 1 . . . . . . . . 4294 1 364 . 1 1 37 37 LYS CE C 13 42.13 . . 1 . . . . . . . . 4294 1 365 . 1 1 37 37 LYS N N 15 119.01 . . 1 . . . . . . . . 4294 1 366 . 1 1 38 38 ASP H H 1 8.08 . . 1 . . . . . . . . 4294 1 367 . 1 1 38 38 ASP HA H 1 4.35 . . 1 . . . . . . . . 4294 1 368 . 1 1 38 38 ASP HB2 H 1 2.88 . . 2 . . . . . . . . 4294 1 369 . 1 1 38 38 ASP HB3 H 1 2.66 . . 2 . . . . . . . . 4294 1 370 . 1 1 38 38 ASP C C 13 179.43 . . 1 . . . . . . . . 4294 1 371 . 1 1 38 38 ASP CA C 13 57.38 . . 1 . . . . . . . . 4294 1 372 . 1 1 38 38 ASP CB C 13 42.37 . . 1 . . . . . . . . 4294 1 373 . 1 1 38 38 ASP N N 15 121.74 . . 1 . . . . . . . . 4294 1 374 . 1 1 39 39 LEU H H 1 8.06 . . 1 . . . . . . . . 4294 1 375 . 1 1 39 39 LEU HA H 1 3.98 . . 1 . . . . . . . . 4294 1 376 . 1 1 39 39 LEU HB2 H 1 1.94 . . 2 . . . . . . . . 4294 1 377 . 1 1 39 39 LEU HB3 H 1 1.15 . . 2 . . . . . . . . 4294 1 378 . 1 1 39 39 LEU HG H 1 1.46 . . 1 . . . . . . . . 4294 1 379 . 1 1 39 39 LEU HD11 H 1 0.85 . . 1 . . . . . . . . 4294 1 380 . 1 1 39 39 LEU HD12 H 1 0.85 . . 1 . . . . . . . . 4294 1 381 . 1 1 39 39 LEU HD13 H 1 0.85 . . 1 . . . . . . . . 4294 1 382 . 1 1 39 39 LEU HD21 H 1 0.81 . . 1 . . . . . . . . 4294 1 383 . 1 1 39 39 LEU HD22 H 1 0.81 . . 1 . . . . . . . . 4294 1 384 . 1 1 39 39 LEU HD23 H 1 0.81 . . 1 . . . . . . . . 4294 1 385 . 1 1 39 39 LEU C C 13 176.80 . . 1 . . . . . . . . 4294 1 386 . 1 1 39 39 LEU CA C 13 57.76 . . 1 . . . . . . . . 4294 1 387 . 1 1 39 39 LEU CB C 13 41.35 . . 1 . . . . . . . . 4294 1 388 . 1 1 39 39 LEU CG C 13 27.44 . . 1 . . . . . . . . 4294 1 389 . 1 1 39 39 LEU CD1 C 13 23.93 . . 1 . . . . . . . . 4294 1 390 . 1 1 39 39 LEU CD2 C 13 26.58 . . 1 . . . . . . . . 4294 1 391 . 1 1 39 39 LEU N N 15 120.66 . . 1 . . . . . . . . 4294 1 392 . 1 1 40 40 ALA H H 1 8.22 . . 1 . . . . . . . . 4294 1 393 . 1 1 40 40 ALA HA H 1 3.60 . . 1 . . . . . . . . 4294 1 394 . 1 1 40 40 ALA HB1 H 1 1.45 . . 1 . . . . . . . . 4294 1 395 . 1 1 40 40 ALA HB2 H 1 1.45 . . 1 . . . . . . . . 4294 1 396 . 1 1 40 40 ALA HB3 H 1 1.45 . . 1 . . . . . . . . 4294 1 397 . 1 1 40 40 ALA C C 13 179.35 . . 1 . . . . . . . . 4294 1 398 . 1 1 40 40 ALA CA C 13 55.92 . . 1 . . . . . . . . 4294 1 399 . 1 1 40 40 ALA CB C 13 17.90 . . 1 . . . . . . . . 4294 1 400 . 1 1 40 40 ALA N N 15 121.82 . . 1 . . . . . . . . 4294 1 401 . 1 1 41 41 THR H H 1 8.35 . . 1 . . . . . . . . 4294 1 402 . 1 1 41 41 THR HA H 1 4.04 . . 1 . . . . . . . . 4294 1 403 . 1 1 41 41 THR HB H 1 4.31 . . 1 . . . . . . . . 4294 1 404 . 1 1 41 41 THR HG21 H 1 1.29 . . 1 . . . . . . . . 4294 1 405 . 1 1 41 41 THR HG22 H 1 1.29 . . 1 . . . . . . . . 4294 1 406 . 1 1 41 41 THR HG23 H 1 1.29 . . 1 . . . . . . . . 4294 1 407 . 1 1 41 41 THR C C 13 177.49 . . 1 . . . . . . . . 4294 1 408 . 1 1 41 41 THR CA C 13 66.35 . . 1 . . . . . . . . 4294 1 409 . 1 1 41 41 THR CB C 13 69.70 . . 1 . . . . . . . . 4294 1 410 . 1 1 41 41 THR CG2 C 13 21.77 . . 1 . . . . . . . . 4294 1 411 . 1 1 41 41 THR N N 15 114.39 . . 1 . . . . . . . . 4294 1 412 . 1 1 42 42 LYS H H 1 7.79 . . 1 . . . . . . . . 4294 1 413 . 1 1 42 42 LYS HA H 1 4.11 . . 1 . . . . . . . . 4294 1 414 . 1 1 42 42 LYS HB2 H 1 1.99 . . 2 . . . . . . . . 4294 1 415 . 1 1 42 42 LYS HG2 H 1 1.57 . . 2 . . . . . . . . 4294 1 416 . 1 1 42 42 LYS HD2 H 1 1.60 . . 2 . . . . . . . . 4294 1 417 . 1 1 42 42 LYS C C 13 178.26 . . 1 . . . . . . . . 4294 1 418 . 1 1 42 42 LYS CA C 13 59.18 . . 1 . . . . . . . . 4294 1 419 . 1 1 42 42 LYS CB C 13 32.67 . . 1 . . . . . . . . 4294 1 420 . 1 1 42 42 LYS CG C 13 25.31 . . 1 . . . . . . . . 4294 1 421 . 1 1 42 42 LYS CD C 13 29.34 . . 1 . . . . . . . . 4294 1 422 . 1 1 42 42 LYS CE C 13 41.90 . . 1 . . . . . . . . 4294 1 423 . 1 1 42 42 LYS N N 15 121.97 . . 1 . . . . . . . . 4294 1 424 . 1 1 43 43 ILE H H 1 7.47 . . 1 . . . . . . . . 4294 1 425 . 1 1 43 43 ILE HA H 1 4.66 . . 1 . . . . . . . . 4294 1 426 . 1 1 43 43 ILE HB H 1 2.14 . . 1 . . . . . . . . 4294 1 427 . 1 1 43 43 ILE HG12 H 1 1.43 . . 2 . . . . . . . . 4294 1 428 . 1 1 43 43 ILE HG13 H 1 1.14 . . 2 . . . . . . . . 4294 1 429 . 1 1 43 43 ILE HG21 H 1 0.70 . . 1 . . . . . . . . 4294 1 430 . 1 1 43 43 ILE HG22 H 1 0.70 . . 1 . . . . . . . . 4294 1 431 . 1 1 43 43 ILE HG23 H 1 0.70 . . 1 . . . . . . . . 4294 1 432 . 1 1 43 43 ILE HD11 H 1 0.64 . . 1 . . . . . . . . 4294 1 433 . 1 1 43 43 ILE HD12 H 1 0.64 . . 1 . . . . . . . . 4294 1 434 . 1 1 43 43 ILE HD13 H 1 0.64 . . 1 . . . . . . . . 4294 1 435 . 1 1 43 43 ILE C C 13 174.47 . . 1 . . . . . . . . 4294 1 436 . 1 1 43 43 ILE CA C 13 60.28 . . 1 . . . . . . . . 4294 1 437 . 1 1 43 43 ILE CB C 13 39.01 . . 1 . . . . . . . . 4294 1 438 . 1 1 43 43 ILE CG1 C 13 25.31 . . 1 . . . . . . . . 4294 1 439 . 1 1 43 43 ILE CG2 C 13 17.36 . . 1 . . . . . . . . 4294 1 440 . 1 1 43 43 ILE CD1 C 13 15.94 . . 1 . . . . . . . . 4294 1 441 . 1 1 43 43 ILE N N 15 127.46 . . 1 . . . . . . . . 4294 1 442 . 1 1 44 44 ASN H H 1 7.90 . . 1 . . . . . . . . 4294 1 443 . 1 1 44 44 ASN HA H 1 4.37 . . 1 . . . . . . . . 4294 1 444 . 1 1 44 44 ASN HB2 H 1 3.18 . . 2 . . . . . . . . 4294 1 445 . 1 1 44 44 ASN HB3 H 1 2.71 . . 2 . . . . . . . . 4294 1 446 . 1 1 44 44 ASN C C 13 173.87 . . 1 . . . . . . . . 4294 1 447 . 1 1 44 44 ASN CA C 13 54.49 . . 1 . . . . . . . . 4294 1 448 . 1 1 44 44 ASN CB C 13 37.40 . . 1 . . . . . . . . 4294 1 449 . 1 1 44 44 ASN N N 15 120.81 . . 1 . . . . . . . . 4294 1 450 . 1 1 45 45 GLU H H 1 8.18 . . 1 . . . . . . . . 4294 1 451 . 1 1 45 45 GLU HA H 1 4.72 . . 1 . . . . . . . . 4294 1 452 . 1 1 45 45 GLU HB2 H 1 1.19 . . 2 . . . . . . . . 4294 1 453 . 1 1 45 45 GLU HG2 H 1 2.11 . . 2 . . . . . . . . 4294 1 454 . 1 1 45 45 GLU C C 13 175.36 . . 1 . . . . . . . . 4294 1 455 . 1 1 45 45 GLU CA C 13 53.68 . . 1 . . . . . . . . 4294 1 456 . 1 1 45 45 GLU CB C 13 33.59 . . 1 . . . . . . . . 4294 1 457 . 1 1 45 45 GLU CG C 13 35.54 . . 1 . . . . . . . . 4294 1 458 . 1 1 45 45 GLU N N 15 117.18 . . 1 . . . . . . . . 4294 1 459 . 1 1 46 46 LYS H H 1 8.89 . . 1 . . . . . . . . 4294 1 460 . 1 1 46 46 LYS HA H 1 4.54 . . 1 . . . . . . . . 4294 1 461 . 1 1 46 46 LYS HB2 H 1 2.05 . . 2 . . . . . . . . 4294 1 462 . 1 1 46 46 LYS HB3 H 1 1.66 . . 2 . . . . . . . . 4294 1 463 . 1 1 46 46 LYS HG2 H 1 1.57 . . 2 . . . . . . . . 4294 1 464 . 1 1 46 46 LYS HD2 H 1 1.66 . . 2 . . . . . . . . 4294 1 465 . 1 1 46 46 LYS C C 13 176.82 . . 1 . . . . . . . . 4294 1 466 . 1 1 46 46 LYS CA C 13 54.86 . . 1 . . . . . . . . 4294 1 467 . 1 1 46 46 LYS CB C 13 31.98 . . 1 . . . . . . . . 4294 1 468 . 1 1 46 46 LYS CG C 13 25.46 . . 1 . . . . . . . . 4294 1 469 . 1 1 46 46 LYS CD C 13 29.31 . . 1 . . . . . . . . 4294 1 470 . 1 1 46 46 LYS N N 15 121.85 . . 1 . . . . . . . . 4294 1 471 . 1 1 47 47 PRO HA H 1 3.88 . . 1 . . . . . . . . 4294 1 472 . 1 1 47 47 PRO HB2 H 1 2.24 . . 2 . . . . . . . . 4294 1 473 . 1 1 47 47 PRO HG2 H 1 1.99 . . 2 . . . . . . . . 4294 1 474 . 1 1 47 47 PRO CA C 13 66.27 . . 1 . . . . . . . . 4294 1 475 . 1 1 47 47 PRO CB C 13 31.35 . . 1 . . . . . . . . 4294 1 476 . 1 1 47 47 PRO CG C 13 27.68 . . 1 . . . . . . . . 4294 1 477 . 1 1 48 48 GLN H H 1 8.53 . . 1 . . . . . . . . 4294 1 478 . 1 1 48 48 GLN HA H 1 3.85 . . 1 . . . . . . . . 4294 1 479 . 1 1 48 48 GLN HB2 H 1 2.09 . . 2 . . . . . . . . 4294 1 480 . 1 1 48 48 GLN HB3 H 1 1.84 . . 2 . . . . . . . . 4294 1 481 . 1 1 48 48 GLN HG2 H 1 2.01 . . 2 . . . . . . . . 4294 1 482 . 1 1 48 48 GLN C C 13 177.22 . . 1 . . . . . . . . 4294 1 483 . 1 1 48 48 GLN CA C 13 58.53 . . 1 . . . . . . . . 4294 1 484 . 1 1 48 48 GLN CB C 13 28.31 . . 1 . . . . . . . . 4294 1 485 . 1 1 48 48 GLN CG C 13 31.68 . . 1 . . . . . . . . 4294 1 486 . 1 1 48 48 GLN N N 15 116.91 . . 1 . . . . . . . . 4294 1 487 . 1 1 49 49 VAL H H 1 7.30 . . 1 . . . . . . . . 4294 1 488 . 1 1 49 49 VAL HA H 1 3.66 . . 1 . . . . . . . . 4294 1 489 . 1 1 49 49 VAL HB H 1 2.09 . . 1 . . . . . . . . 4294 1 490 . 1 1 49 49 VAL HG11 H 1 0.65 . . 1 . . . . . . . . 4294 1 491 . 1 1 49 49 VAL HG12 H 1 0.65 . . 1 . . . . . . . . 4294 1 492 . 1 1 49 49 VAL HG13 H 1 0.65 . . 1 . . . . . . . . 4294 1 493 . 1 1 49 49 VAL HG21 H 1 1.06 . . 1 . . . . . . . . 4294 1 494 . 1 1 49 49 VAL HG22 H 1 1.06 . . 1 . . . . . . . . 4294 1 495 . 1 1 49 49 VAL HG23 H 1 1.06 . . 1 . . . . . . . . 4294 1 496 . 1 1 49 49 VAL C C 13 177.58 . . 1 . . . . . . . . 4294 1 497 . 1 1 49 49 VAL CA C 13 65.63 . . 1 . . . . . . . . 4294 1 498 . 1 1 49 49 VAL CB C 13 31.39 . . 1 . . . . . . . . 4294 1 499 . 1 1 49 49 VAL CG1 C 13 20.93 . . 1 . . . . . . . . 4294 1 500 . 1 1 49 49 VAL CG2 C 13 22.93 . . 1 . . . . . . . . 4294 1 501 . 1 1 49 49 VAL N N 15 118.95 . . 1 . . . . . . . . 4294 1 502 . 1 1 50 50 ILE H H 1 6.70 . . 1 . . . . . . . . 4294 1 503 . 1 1 50 50 ILE HA H 1 3.54 . . 1 . . . . . . . . 4294 1 504 . 1 1 50 50 ILE HB H 1 2.13 . . 1 . . . . . . . . 4294 1 505 . 1 1 50 50 ILE HG12 H 1 1.53 . . 2 . . . . . . . . 4294 1 506 . 1 1 50 50 ILE HG13 H 1 1.26 . . 2 . . . . . . . . 4294 1 507 . 1 1 50 50 ILE HG21 H 1 0.89 . . 1 . . . . . . . . 4294 1 508 . 1 1 50 50 ILE HG22 H 1 0.89 . . 1 . . . . . . . . 4294 1 509 . 1 1 50 50 ILE HG23 H 1 0.89 . . 1 . . . . . . . . 4294 1 510 . 1 1 50 50 ILE HD11 H 1 0.58 . . 1 . . . . . . . . 4294 1 511 . 1 1 50 50 ILE HD12 H 1 0.58 . . 1 . . . . . . . . 4294 1 512 . 1 1 50 50 ILE HD13 H 1 0.58 . . 1 . . . . . . . . 4294 1 513 . 1 1 50 50 ILE C C 13 177.94 . . 1 . . . . . . . . 4294 1 514 . 1 1 50 50 ILE CA C 13 62.17 . . 1 . . . . . . . . 4294 1 515 . 1 1 50 50 ILE CB C 13 35.38 . . 1 . . . . . . . . 4294 1 516 . 1 1 50 50 ILE CG1 C 13 27.79 . . 1 . . . . . . . . 4294 1 517 . 1 1 50 50 ILE CG2 C 13 19.08 . . 1 . . . . . . . . 4294 1 518 . 1 1 50 50 ILE CD1 C 13 9.28 . . 1 . . . . . . . . 4294 1 519 . 1 1 50 50 ILE N N 15 117.50 . . 1 . . . . . . . . 4294 1 520 . 1 1 51 51 ALA H H 1 7.67 . . 1 . . . . . . . . 4294 1 521 . 1 1 51 51 ALA HA H 1 4.01 . . 1 . . . . . . . . 4294 1 522 . 1 1 51 51 ALA HB1 H 1 1.41 . . 1 . . . . . . . . 4294 1 523 . 1 1 51 51 ALA HB2 H 1 1.41 . . 1 . . . . . . . . 4294 1 524 . 1 1 51 51 ALA HB3 H 1 1.41 . . 1 . . . . . . . . 4294 1 525 . 1 1 51 51 ALA C C 13 181.02 . . 1 . . . . . . . . 4294 1 526 . 1 1 51 51 ALA CA C 13 55.60 . . 1 . . . . . . . . 4294 1 527 . 1 1 51 51 ALA CB C 13 17.77 . . 1 . . . . . . . . 4294 1 528 . 1 1 51 51 ALA N N 15 121.98 . . 1 . . . . . . . . 4294 1 529 . 1 1 52 52 ASP H H 1 8.28 . . 1 . . . . . . . . 4294 1 530 . 1 1 52 52 ASP HA H 1 4.36 . . 1 . . . . . . . . 4294 1 531 . 1 1 52 52 ASP HB2 H 1 2.32 . . 2 . . . . . . . . 4294 1 532 . 1 1 52 52 ASP HB3 H 1 2.88 . . 2 . . . . . . . . 4294 1 533 . 1 1 52 52 ASP C C 13 179.14 . . 1 . . . . . . . . 4294 1 534 . 1 1 52 52 ASP CA C 13 57.40 . . 1 . . . . . . . . 4294 1 535 . 1 1 52 52 ASP CB C 13 39.35 . . 1 . . . . . . . . 4294 1 536 . 1 1 52 52 ASP N N 15 121.14 . . 1 . . . . . . . . 4294 1 537 . 1 1 53 53 TYR H H 1 8.50 . . 1 . . . . . . . . 4294 1 538 . 1 1 53 53 TYR HA H 1 4.60 . . 1 . . . . . . . . 4294 1 539 . 1 1 53 53 TYR HB2 H 1 2.81 . . 2 . . . . . . . . 4294 1 540 . 1 1 53 53 TYR HB3 H 1 3.28 . . 2 . . . . . . . . 4294 1 541 . 1 1 53 53 TYR C C 13 179.83 . . 1 . . . . . . . . 4294 1 542 . 1 1 53 53 TYR CA C 13 59.46 . . 1 . . . . . . . . 4294 1 543 . 1 1 53 53 TYR CB C 13 37.28 . . 1 . . . . . . . . 4294 1 544 . 1 1 53 53 TYR N N 15 122.49 . . 1 . . . . . . . . 4294 1 545 . 1 1 54 54 GLU H H 1 8.48 . . 1 . . . . . . . . 4294 1 546 . 1 1 54 54 GLU HA H 1 4.13 . . 1 . . . . . . . . 4294 1 547 . 1 1 54 54 GLU HB2 H 1 2.71 . . 2 . . . . . . . . 4294 1 548 . 1 1 54 54 GLU HB3 H 1 2.24 . . 2 . . . . . . . . 4294 1 549 . 1 1 54 54 GLU HG2 H 1 1.95 . . 2 . . . . . . . . 4294 1 550 . 1 1 54 54 GLU C C 13 177.94 . . 1 . . . . . . . . 4294 1 551 . 1 1 54 54 GLU CA C 13 59.82 . . 1 . . . . . . . . 4294 1 552 . 1 1 54 54 GLU CB C 13 37.47 . . 1 . . . . . . . . 4294 1 553 . 1 1 54 54 GLU CG C 13 29.71 . . 1 . . . . . . . . 4294 1 554 . 1 1 54 54 GLU N N 15 118.57 . . 1 . . . . . . . . 4294 1 555 . 1 1 55 55 SER H H 1 7.95 . . 1 . . . . . . . . 4294 1 556 . 1 1 55 55 SER HA H 1 4.48 . . 1 . . . . . . . . 4294 1 557 . 1 1 55 55 SER HB2 H 1 3.99 . . 2 . . . . . . . . 4294 1 558 . 1 1 55 55 SER C C 13 175.56 . . 1 . . . . . . . . 4294 1 559 . 1 1 55 55 SER CA C 13 58.62 . . 1 . . . . . . . . 4294 1 560 . 1 1 55 55 SER CB C 13 64.56 . . 1 . . . . . . . . 4294 1 561 . 1 1 55 55 SER N N 15 111.80 . . 1 . . . . . . . . 4294 1 562 . 1 1 56 56 GLY H H 1 7.69 . . 1 . . . . . . . . 4294 1 563 . 1 1 56 56 GLY HA2 H 1 3.95 . . 2 . . . . . . . . 4294 1 564 . 1 1 56 56 GLY HA3 H 1 4.14 . . 2 . . . . . . . . 4294 1 565 . 1 1 56 56 GLY C C 13 174.25 . . 1 . . . . . . . . 4294 1 566 . 1 1 56 56 GLY CA C 13 46.12 . . 1 . . . . . . . . 4294 1 567 . 1 1 56 56 GLY N N 15 110.73 . . 1 . . . . . . . . 4294 1 568 . 1 1 57 57 ARG H H 1 8.14 . . 1 . . . . . . . . 4294 1 569 . 1 1 57 57 ARG HA H 1 4.22 . . 1 . . . . . . . . 4294 1 570 . 1 1 57 57 ARG HB2 H 1 1.58 . . 2 . . . . . . . . 4294 1 571 . 1 1 57 57 ARG HB3 H 1 1.76 . . 2 . . . . . . . . 4294 1 572 . 1 1 57 57 ARG HG2 H 1 1.60 . . 2 . . . . . . . . 4294 1 573 . 1 1 57 57 ARG HD2 H 1 3.16 . . 2 . . . . . . . . 4294 1 574 . 1 1 57 57 ARG C C 13 175.85 . . 1 . . . . . . . . 4294 1 575 . 1 1 57 57 ARG CA C 13 57.38 . . 1 . . . . . . . . 4294 1 576 . 1 1 57 57 ARG CB C 13 31.76 . . 1 . . . . . . . . 4294 1 577 . 1 1 57 57 ARG CG C 13 27.96 . . 1 . . . . . . . . 4294 1 578 . 1 1 57 57 ARG CD C 13 43.26 . . 1 . . . . . . . . 4294 1 579 . 1 1 57 57 ARG N N 15 119.75 . . 1 . . . . . . . . 4294 1 580 . 1 1 58 58 ALA H H 1 7.19 . . 1 . . . . . . . . 4294 1 581 . 1 1 58 58 ALA HA H 1 4.42 . . 1 . . . . . . . . 4294 1 582 . 1 1 58 58 ALA HB1 H 1 1.02 . . 1 . . . . . . . . 4294 1 583 . 1 1 58 58 ALA HB2 H 1 1.02 . . 1 . . . . . . . . 4294 1 584 . 1 1 58 58 ALA HB3 H 1 1.02 . . 1 . . . . . . . . 4294 1 585 . 1 1 58 58 ALA C C 13 175.76 . . 1 . . . . . . . . 4294 1 586 . 1 1 58 58 ALA CA C 13 50.98 . . 1 . . . . . . . . 4294 1 587 . 1 1 58 58 ALA CB C 13 20.88 . . 1 . . . . . . . . 4294 1 588 . 1 1 58 58 ALA N N 15 119.98 . . 1 . . . . . . . . 4294 1 589 . 1 1 59 59 ILE H H 1 8.48 . . 1 . . . . . . . . 4294 1 590 . 1 1 59 59 ILE HA H 1 4.43 . . 1 . . . . . . . . 4294 1 591 . 1 1 59 59 ILE HB H 1 1.79 . . 1 . . . . . . . . 4294 1 592 . 1 1 59 59 ILE HG12 H 1 1.48 . . 2 . . . . . . . . 4294 1 593 . 1 1 59 59 ILE HG13 H 1 1.15 . . 2 . . . . . . . . 4294 1 594 . 1 1 59 59 ILE HG21 H 1 0.88 . . 1 . . . . . . . . 4294 1 595 . 1 1 59 59 ILE HG22 H 1 0.88 . . 1 . . . . . . . . 4294 1 596 . 1 1 59 59 ILE HG23 H 1 0.88 . . 1 . . . . . . . . 4294 1 597 . 1 1 59 59 ILE HD11 H 1 0.82 . . 1 . . . . . . . . 4294 1 598 . 1 1 59 59 ILE HD12 H 1 0.82 . . 1 . . . . . . . . 4294 1 599 . 1 1 59 59 ILE HD13 H 1 0.82 . . 1 . . . . . . . . 4294 1 600 . 1 1 59 59 ILE C C 13 174.83 . . 1 . . . . . . . . 4294 1 601 . 1 1 59 59 ILE CA C 13 57.80 . . 1 . . . . . . . . 4294 1 602 . 1 1 59 59 ILE CB C 13 38.83 . . 1 . . . . . . . . 4294 1 603 . 1 1 59 59 ILE CG1 C 13 27.46 . . 1 . . . . . . . . 4294 1 604 . 1 1 59 59 ILE CG2 C 13 16.88 . . 1 . . . . . . . . 4294 1 605 . 1 1 59 59 ILE CD1 C 13 12.30 . . 1 . . . . . . . . 4294 1 606 . 1 1 59 59 ILE N N 15 123.74 . . 1 . . . . . . . . 4294 1 607 . 1 1 62 62 ASN HA H 1 4.31 . . 1 . . . . . . . . 4294 1 608 . 1 1 62 62 ASN HB2 H 1 2.79 . . 2 . . . . . . . . 4294 1 609 . 1 1 62 62 ASN CA C 13 57.01 . . 1 . . . . . . . . 4294 1 610 . 1 1 62 62 ASN CB C 13 38.72 . . 1 . . . . . . . . 4294 1 611 . 1 1 63 63 GLN H H 1 8.29 . . 1 . . . . . . . . 4294 1 612 . 1 1 63 63 GLN HA H 1 4.15 . . 1 . . . . . . . . 4294 1 613 . 1 1 63 63 GLN HB2 H 1 2.22 . . 2 . . . . . . . . 4294 1 614 . 1 1 63 63 GLN HG2 H 1 2.43 . . 2 . . . . . . . . 4294 1 615 . 1 1 63 63 GLN C C 13 179.25 . . 1 . . . . . . . . 4294 1 616 . 1 1 63 63 GLN CA C 13 59.26 . . 1 . . . . . . . . 4294 1 617 . 1 1 63 63 GLN CB C 13 28.09 . . 1 . . . . . . . . 4294 1 618 . 1 1 63 63 GLN CG C 13 34.43 . . 1 . . . . . . . . 4294 1 619 . 1 1 63 63 GLN N N 15 121.49 . . 1 . . . . . . . . 4294 1 620 . 1 1 64 64 VAL H H 1 8.10 . . 1 . . . . . . . . 4294 1 621 . 1 1 64 64 VAL HA H 1 3.55 . . 1 . . . . . . . . 4294 1 622 . 1 1 64 64 VAL HB H 1 2.14 . . 1 . . . . . . . . 4294 1 623 . 1 1 64 64 VAL HG11 H 1 1.08 . . 1 . . . . . . . . 4294 1 624 . 1 1 64 64 VAL HG12 H 1 1.08 . . 1 . . . . . . . . 4294 1 625 . 1 1 64 64 VAL HG13 H 1 1.08 . . 1 . . . . . . . . 4294 1 626 . 1 1 64 64 VAL HG21 H 1 0.74 . . 1 . . . . . . . . 4294 1 627 . 1 1 64 64 VAL HG22 H 1 0.74 . . 1 . . . . . . . . 4294 1 628 . 1 1 64 64 VAL HG23 H 1 0.74 . . 1 . . . . . . . . 4294 1 629 . 1 1 64 64 VAL C C 13 178.49 . . 1 . . . . . . . . 4294 1 630 . 1 1 64 64 VAL CA C 13 66.76 . . 1 . . . . . . . . 4294 1 631 . 1 1 64 64 VAL CB C 13 31.59 . . 1 . . . . . . . . 4294 1 632 . 1 1 64 64 VAL CG1 C 13 23.03 . . 1 . . . . . . . . 4294 1 633 . 1 1 64 64 VAL CG2 C 13 21.95 . . 1 . . . . . . . . 4294 1 634 . 1 1 64 64 VAL N N 15 122.49 . . 1 . . . . . . . . 4294 1 635 . 1 1 65 65 LEU H H 1 8.50 . . 1 . . . . . . . . 4294 1 636 . 1 1 65 65 LEU HA H 1 3.80 . . 1 . . . . . . . . 4294 1 637 . 1 1 65 65 LEU HB2 H 1 1.80 . . 2 . . . . . . . . 4294 1 638 . 1 1 65 65 LEU HB3 H 1 1.31 . . 2 . . . . . . . . 4294 1 639 . 1 1 65 65 LEU HG H 1 1.68 . . 1 . . . . . . . . 4294 1 640 . 1 1 65 65 LEU HD11 H 1 0.86 . . 1 . . . . . . . . 4294 1 641 . 1 1 65 65 LEU HD12 H 1 0.86 . . 1 . . . . . . . . 4294 1 642 . 1 1 65 65 LEU HD13 H 1 0.86 . . 1 . . . . . . . . 4294 1 643 . 1 1 65 65 LEU HD21 H 1 0.81 . . 1 . . . . . . . . 4294 1 644 . 1 1 65 65 LEU HD22 H 1 0.81 . . 1 . . . . . . . . 4294 1 645 . 1 1 65 65 LEU HD23 H 1 0.81 . . 1 . . . . . . . . 4294 1 646 . 1 1 65 65 LEU C C 13 179.12 . . 1 . . . . . . . . 4294 1 647 . 1 1 65 65 LEU CA C 13 58.66 . . 1 . . . . . . . . 4294 1 648 . 1 1 65 65 LEU CB C 13 42.14 . . 1 . . . . . . . . 4294 1 649 . 1 1 65 65 LEU CG C 13 26.19 . . 1 . . . . . . . . 4294 1 650 . 1 1 65 65 LEU CD1 C 13 25.54 . . 1 . . . . . . . . 4294 1 651 . 1 1 65 65 LEU CD2 C 13 24.39 . . 1 . . . . . . . . 4294 1 652 . 1 1 65 65 LEU N N 15 120.23 . . 1 . . . . . . . . 4294 1 653 . 1 1 66 66 GLY H H 1 7.93 . . 1 . . . . . . . . 4294 1 654 . 1 1 66 66 GLY HA2 H 1 3.91 . . 2 . . . . . . . . 4294 1 655 . 1 1 66 66 GLY C C 13 176.38 . . 1 . . . . . . . . 4294 1 656 . 1 1 66 66 GLY CA C 13 47.14 . . 1 . . . . . . . . 4294 1 657 . 1 1 66 66 GLY N N 15 123.89 . . 1 . . . . . . . . 4294 1 658 . 1 1 67 67 LYS H H 1 7.42 . . 1 . . . . . . . . 4294 1 659 . 1 1 67 67 LYS HA H 1 4.10 . . 1 . . . . . . . . 4294 1 660 . 1 1 67 67 LYS HB2 H 1 1.70 . . 2 . . . . . . . . 4294 1 661 . 1 1 67 67 LYS HB3 H 1 2.08 . . 2 . . . . . . . . 4294 1 662 . 1 1 67 67 LYS HG2 H 1 1.51 . . 2 . . . . . . . . 4294 1 663 . 1 1 67 67 LYS HG3 H 1 1.80 . . 2 . . . . . . . . 4294 1 664 . 1 1 67 67 LYS HD2 H 1 1.81 . . 2 . . . . . . . . 4294 1 665 . 1 1 67 67 LYS C C 13 180.03 . . 1 . . . . . . . . 4294 1 666 . 1 1 67 67 LYS CA C 13 60.07 . . 1 . . . . . . . . 4294 1 667 . 1 1 67 67 LYS CB C 13 33.18 . . 1 . . . . . . . . 4294 1 668 . 1 1 67 67 LYS CG C 13 25.90 . . 1 . . . . . . . . 4294 1 669 . 1 1 67 67 LYS CD C 13 30.82 . . 1 . . . . . . . . 4294 1 670 . 1 1 67 67 LYS N N 15 121.09 . . 1 . . . . . . . . 4294 1 671 . 1 1 68 68 ILE H H 1 8.27 . . 1 . . . . . . . . 4294 1 672 . 1 1 68 68 ILE HA H 1 3.44 . . 1 . . . . . . . . 4294 1 673 . 1 1 68 68 ILE HB H 1 1.83 . . 1 . . . . . . . . 4294 1 674 . 1 1 68 68 ILE HG12 H 1 0.54 . . 2 . . . . . . . . 4294 1 675 . 1 1 68 68 ILE HG13 H 1 2.02 . . 2 . . . . . . . . 4294 1 676 . 1 1 68 68 ILE HG21 H 1 0.92 . . 1 . . . . . . . . 4294 1 677 . 1 1 68 68 ILE HG22 H 1 0.92 . . 1 . . . . . . . . 4294 1 678 . 1 1 68 68 ILE HG23 H 1 0.92 . . 1 . . . . . . . . 4294 1 679 . 1 1 68 68 ILE HD11 H 1 0.57 . . 1 . . . . . . . . 4294 1 680 . 1 1 68 68 ILE HD12 H 1 0.57 . . 1 . . . . . . . . 4294 1 681 . 1 1 68 68 ILE HD13 H 1 0.57 . . 1 . . . . . . . . 4294 1 682 . 1 1 68 68 ILE C C 13 177.55 . . 1 . . . . . . . . 4294 1 683 . 1 1 68 68 ILE CA C 13 66.67 . . 1 . . . . . . . . 4294 1 684 . 1 1 68 68 ILE CB C 13 37.86 . . 1 . . . . . . . . 4294 1 685 . 1 1 68 68 ILE CG1 C 13 30.78 . . 1 . . . . . . . . 4294 1 686 . 1 1 68 68 ILE CG2 C 13 20.18 . . 1 . . . . . . . . 4294 1 687 . 1 1 68 68 ILE CD1 C 13 13.94 . . 1 . . . . . . . . 4294 1 688 . 1 1 68 68 ILE N N 15 121.04 . . 1 . . . . . . . . 4294 1 689 . 1 1 69 69 GLU H H 1 8.78 . . 1 . . . . . . . . 4294 1 690 . 1 1 69 69 GLU HA H 1 4.10 . . 1 . . . . . . . . 4294 1 691 . 1 1 69 69 GLU HB2 H 1 2.38 . . 2 . . . . . . . . 4294 1 692 . 1 1 69 69 GLU HG2 H 1 2.72 . . 2 . . . . . . . . 4294 1 693 . 1 1 69 69 GLU C C 13 179.13 . . 1 . . . . . . . . 4294 1 694 . 1 1 69 69 GLU CA C 13 59.77 . . 1 . . . . . . . . 4294 1 695 . 1 1 69 69 GLU CB C 13 30.88 . . 1 . . . . . . . . 4294 1 696 . 1 1 69 69 GLU CG C 13 36.82 . . 1 . . . . . . . . 4294 1 697 . 1 1 69 69 GLU N N 15 121.24 . . 1 . . . . . . . . 4294 1 698 . 1 1 70 70 ARG H H 1 7.22 . . 1 . . . . . . . . 4294 1 699 . 1 1 70 70 ARG HA H 1 3.95 . . 1 . . . . . . . . 4294 1 700 . 1 1 70 70 ARG HB2 H 1 1.89 . . 2 . . . . . . . . 4294 1 701 . 1 1 70 70 ARG HG2 H 1 1.63 . . 2 . . . . . . . . 4294 1 702 . 1 1 70 70 ARG HD2 H 1 3.22 . . 2 . . . . . . . . 4294 1 703 . 1 1 70 70 ARG C C 13 178.07 . . 1 . . . . . . . . 4294 1 704 . 1 1 70 70 ARG CA C 13 58.58 . . 1 . . . . . . . . 4294 1 705 . 1 1 70 70 ARG CB C 13 30.25 . . 1 . . . . . . . . 4294 1 706 . 1 1 70 70 ARG CG C 13 28.19 . . 1 . . . . . . . . 4294 1 707 . 1 1 70 70 ARG CD C 13 43.35 . . 1 . . . . . . . . 4294 1 708 . 1 1 70 70 ARG N N 15 114.95 . . 1 . . . . . . . . 4294 1 709 . 1 1 71 71 ALA H H 1 7.61 . . 1 . . . . . . . . 4294 1 710 . 1 1 71 71 ALA HA H 1 4.24 . . 1 . . . . . . . . 4294 1 711 . 1 1 71 71 ALA HB1 H 1 1.31 . . 1 . . . . . . . . 4294 1 712 . 1 1 71 71 ALA HB2 H 1 1.31 . . 1 . . . . . . . . 4294 1 713 . 1 1 71 71 ALA HB3 H 1 1.31 . . 1 . . . . . . . . 4294 1 714 . 1 1 71 71 ALA C C 13 179.32 . . 1 . . . . . . . . 4294 1 715 . 1 1 71 71 ALA CA C 13 54.43 . . 1 . . . . . . . . 4294 1 716 . 1 1 71 71 ALA CB C 13 19.49 . . 1 . . . . . . . . 4294 1 717 . 1 1 71 71 ALA N N 15 121.32 . . 1 . . . . . . . . 4294 1 718 . 1 1 72 72 ILE H H 1 8.19 . . 1 . . . . . . . . 4294 1 719 . 1 1 72 72 ILE HA H 1 4.43 . . 1 . . . . . . . . 4294 1 720 . 1 1 72 72 ILE HB H 1 1.93 . . 1 . . . . . . . . 4294 1 721 . 1 1 72 72 ILE HG12 H 1 1.68 . . 2 . . . . . . . . 4294 1 722 . 1 1 72 72 ILE HG13 H 1 1.25 . . 2 . . . . . . . . 4294 1 723 . 1 1 72 72 ILE HG21 H 1 0.78 . . 1 . . . . . . . . 4294 1 724 . 1 1 72 72 ILE HG22 H 1 0.78 . . 1 . . . . . . . . 4294 1 725 . 1 1 72 72 ILE HG23 H 1 0.78 . . 1 . . . . . . . . 4294 1 726 . 1 1 72 72 ILE HD11 H 1 0.91 . . 1 . . . . . . . . 4294 1 727 . 1 1 72 72 ILE HD12 H 1 0.91 . . 1 . . . . . . . . 4294 1 728 . 1 1 72 72 ILE HD13 H 1 0.91 . . 1 . . . . . . . . 4294 1 729 . 1 1 72 72 ILE C C 13 175.54 . . 1 . . . . . . . . 4294 1 730 . 1 1 72 72 ILE CA C 13 61.50 . . 1 . . . . . . . . 4294 1 731 . 1 1 72 72 ILE CB C 13 39.15 . . 1 . . . . . . . . 4294 1 732 . 1 1 72 72 ILE CG1 C 13 25.27 . . 1 . . . . . . . . 4294 1 733 . 1 1 72 72 ILE CG2 C 13 16.91 . . 1 . . . . . . . . 4294 1 734 . 1 1 72 72 ILE CD1 C 13 15.75 . . 1 . . . . . . . . 4294 1 735 . 1 1 72 72 ILE N N 15 126.06 . . 1 . . . . . . . . 4294 1 736 . 1 1 73 73 GLY H H 1 8.19 . . 1 . . . . . . . . 4294 1 737 . 1 1 73 73 GLY HA2 H 1 3.76 . . 2 . . . . . . . . 4294 1 738 . 1 1 73 73 GLY HA3 H 1 4.05 . . 2 . . . . . . . . 4294 1 739 . 1 1 73 73 GLY C C 13 174.50 . . 1 . . . . . . . . 4294 1 740 . 1 1 73 73 GLY CA C 13 46.69 . . 1 . . . . . . . . 4294 1 741 . 1 1 73 73 GLY N N 15 111.67 . . 1 . . . . . . . . 4294 1 742 . 1 1 74 74 LEU H H 1 7.09 . . 1 . . . . . . . . 4294 1 743 . 1 1 74 74 LEU HA H 1 4.89 . . 1 . . . . . . . . 4294 1 744 . 1 1 74 74 LEU HB2 H 1 1.21 . . 2 . . . . . . . . 4294 1 745 . 1 1 74 74 LEU HB3 H 1 0.99 . . 2 . . . . . . . . 4294 1 746 . 1 1 74 74 LEU HG H 1 1.40 . . 1 . . . . . . . . 4294 1 747 . 1 1 74 74 LEU HD11 H 1 0.79 . . 1 . . . . . . . . 4294 1 748 . 1 1 74 74 LEU HD12 H 1 0.79 . . 1 . . . . . . . . 4294 1 749 . 1 1 74 74 LEU HD13 H 1 0.79 . . 1 . . . . . . . . 4294 1 750 . 1 1 74 74 LEU HD21 H 1 0.76 . . 1 . . . . . . . . 4294 1 751 . 1 1 74 74 LEU HD22 H 1 0.76 . . 1 . . . . . . . . 4294 1 752 . 1 1 74 74 LEU HD23 H 1 0.76 . . 1 . . . . . . . . 4294 1 753 . 1 1 74 74 LEU C C 13 174.32 . . 1 . . . . . . . . 4294 1 754 . 1 1 74 74 LEU CA C 13 52.99 . . 1 . . . . . . . . 4294 1 755 . 1 1 74 74 LEU CB C 13 46.86 . . 1 . . . . . . . . 4294 1 756 . 1 1 74 74 LEU CG C 13 26.28 . . 1 . . . . . . . . 4294 1 757 . 1 1 74 74 LEU CD1 C 13 26.31 . . 1 . . . . . . . . 4294 1 758 . 1 1 74 74 LEU CD2 C 13 22.81 . . 1 . . . . . . . . 4294 1 759 . 1 1 74 74 LEU N N 15 120.54 . . 1 . . . . . . . . 4294 1 760 . 1 1 75 75 LYS H H 1 8.59 . . 1 . . . . . . . . 4294 1 761 . 1 1 75 75 LYS HA H 1 3.93 . . 1 . . . . . . . . 4294 1 762 . 1 1 75 75 LYS HB2 H 1 1.88 . . 2 . . . . . . . . 4294 1 763 . 1 1 75 75 LYS HB3 H 1 1.69 . . 2 . . . . . . . . 4294 1 764 . 1 1 75 75 LYS HG2 H 1 1.37 . . 2 . . . . . . . . 4294 1 765 . 1 1 75 75 LYS HD2 H 1 1.59 . . 2 . . . . . . . . 4294 1 766 . 1 1 75 75 LYS HE2 H 1 3.01 . . 2 . . . . . . . . 4294 1 767 . 1 1 75 75 LYS C C 13 177.88 . . 1 . . . . . . . . 4294 1 768 . 1 1 75 75 LYS CA C 13 57.08 . . 1 . . . . . . . . 4294 1 769 . 1 1 75 75 LYS CB C 13 33.40 . . 1 . . . . . . . . 4294 1 770 . 1 1 75 75 LYS CG C 13 26.42 . . 1 . . . . . . . . 4294 1 771 . 1 1 75 75 LYS CD C 13 29.87 . . 1 . . . . . . . . 4294 1 772 . 1 1 75 75 LYS CE C 13 42.22 . . 1 . . . . . . . . 4294 1 773 . 1 1 75 75 LYS N N 15 119.23 . . 1 . . . . . . . . 4294 1 774 . 1 1 76 76 LEU H H 1 10.02 . . 1 . . . . . . . . 4294 1 775 . 1 1 76 76 LEU HA H 1 4.66 . . 1 . . . . . . . . 4294 1 776 . 1 1 76 76 LEU HB2 H 1 1.82 . . 2 . . . . . . . . 4294 1 777 . 1 1 76 76 LEU HB3 H 1 1.48 . . 2 . . . . . . . . 4294 1 778 . 1 1 76 76 LEU HG H 1 1.79 . . 1 . . . . . . . . 4294 1 779 . 1 1 76 76 LEU HD11 H 1 0.84 . . 1 . . . . . . . . 4294 1 780 . 1 1 76 76 LEU HD12 H 1 0.84 . . 1 . . . . . . . . 4294 1 781 . 1 1 76 76 LEU HD13 H 1 0.84 . . 1 . . . . . . . . 4294 1 782 . 1 1 76 76 LEU HD21 H 1 0.79 . . 1 . . . . . . . . 4294 1 783 . 1 1 76 76 LEU HD22 H 1 0.79 . . 1 . . . . . . . . 4294 1 784 . 1 1 76 76 LEU HD23 H 1 0.79 . . 1 . . . . . . . . 4294 1 785 . 1 1 76 76 LEU C C 13 174.20 . . 1 . . . . . . . . 4294 1 786 . 1 1 76 76 LEU CA C 13 54.23 . . 1 . . . . . . . . 4294 1 787 . 1 1 76 76 LEU CB C 13 44.49 . . 1 . . . . . . . . 4294 1 788 . 1 1 76 76 LEU CG C 13 26.09 . . 1 . . . . . . . . 4294 1 789 . 1 1 76 76 LEU CD1 C 13 26.75 . . 1 . . . . . . . . 4294 1 790 . 1 1 76 76 LEU CD2 C 13 24.38 . . 1 . . . . . . . . 4294 1 791 . 1 1 76 76 LEU N N 15 123.57 . . 1 . . . . . . . . 4294 1 792 . 1 1 77 77 ARG H H 1 7.04 . . 1 . . . . . . . . 4294 1 793 . 1 1 77 77 ARG HA H 1 4.66 . . 1 . . . . . . . . 4294 1 794 . 1 1 77 77 ARG HB2 H 1 1.71 . . 2 . . . . . . . . 4294 1 795 . 1 1 77 77 ARG HG2 H 1 1.37 . . 2 . . . . . . . . 4294 1 796 . 1 1 77 77 ARG HG3 H 1 1.61 . . 2 . . . . . . . . 4294 1 797 . 1 1 77 77 ARG HD2 H 1 3.08 . . 2 . . . . . . . . 4294 1 798 . 1 1 77 77 ARG C C 13 175.91 . . 1 . . . . . . . . 4294 1 799 . 1 1 77 77 ARG CA C 13 54.57 . . 1 . . . . . . . . 4294 1 800 . 1 1 77 77 ARG CB C 13 33.72 . . 1 . . . . . . . . 4294 1 801 . 1 1 77 77 ARG CG C 13 26.60 . . 1 . . . . . . . . 4294 1 802 . 1 1 77 77 ARG CD C 13 43.72 . . 1 . . . . . . . . 4294 1 803 . 1 1 77 77 ARG N N 15 115.57 . . 1 . . . . . . . . 4294 1 804 . 1 1 78 78 GLY H H 1 8.51 . . 1 . . . . . . . . 4294 1 805 . 1 1 78 78 GLY HA2 H 1 3.80 . . 2 . . . . . . . . 4294 1 806 . 1 1 78 78 GLY HA3 H 1 4.17 . . 2 . . . . . . . . 4294 1 807 . 1 1 78 78 GLY C C 13 174.64 . . 1 . . . . . . . . 4294 1 808 . 1 1 78 78 GLY CA C 13 44.89 . . 1 . . . . . . . . 4294 1 809 . 1 1 78 78 GLY N N 15 127.78 . . 1 . . . . . . . . 4294 1 810 . 1 1 79 79 LYS H H 1 8.47 . . 1 . . . . . . . . 4294 1 811 . 1 1 79 79 LYS HA H 1 4.15 . . 1 . . . . . . . . 4294 1 812 . 1 1 79 79 LYS HB2 H 1 1.79 . . 2 . . . . . . . . 4294 1 813 . 1 1 79 79 LYS HG2 H 1 1.42 . . 2 . . . . . . . . 4294 1 814 . 1 1 79 79 LYS HE2 H 1 2.99 . . 2 . . . . . . . . 4294 1 815 . 1 1 79 79 LYS C C 13 177.28 . . 1 . . . . . . . . 4294 1 816 . 1 1 79 79 LYS CA C 13 57.69 . . 1 . . . . . . . . 4294 1 817 . 1 1 79 79 LYS CB C 13 32.40 . . 1 . . . . . . . . 4294 1 818 . 1 1 79 79 LYS CG C 13 24.38 . . 1 . . . . . . . . 4294 1 819 . 1 1 79 79 LYS CD C 13 29.31 . . 1 . . . . . . . . 4294 1 820 . 1 1 79 79 LYS CE C 13 42.05 . . 1 . . . . . . . . 4294 1 821 . 1 1 79 79 LYS N N 15 120.90 . . 1 . . . . . . . . 4294 1 822 . 1 1 80 80 ASP H H 1 8.42 . . 1 . . . . . . . . 4294 1 823 . 1 1 80 80 ASP HA H 1 4.72 . . 1 . . . . . . . . 4294 1 824 . 1 1 80 80 ASP C C 13 173.99 . . 1 . . . . . . . . 4294 1 825 . 1 1 80 80 ASP CA C 13 53.82 . . 1 . . . . . . . . 4294 1 826 . 1 1 80 80 ASP CB C 13 40.51 . . 1 . . . . . . . . 4294 1 827 . 1 1 80 80 ASP N N 15 119.78 . . 1 . . . . . . . . 4294 1 828 . 1 1 81 81 ILE H H 1 6.90 . . 1 . . . . . . . . 4294 1 829 . 1 1 81 81 ILE HA H 1 3.45 . . 1 . . . . . . . . 4294 1 830 . 1 1 81 81 ILE HB H 1 1.65 . . 1 . . . . . . . . 4294 1 831 . 1 1 81 81 ILE HG12 H 1 1.50 . . 2 . . . . . . . . 4294 1 832 . 1 1 81 81 ILE HG13 H 1 0.81 . . 2 . . . . . . . . 4294 1 833 . 1 1 81 81 ILE HG21 H 1 0.87 . . 1 . . . . . . . . 4294 1 834 . 1 1 81 81 ILE HG22 H 1 0.87 . . 1 . . . . . . . . 4294 1 835 . 1 1 81 81 ILE HG23 H 1 0.87 . . 1 . . . . . . . . 4294 1 836 . 1 1 81 81 ILE HD11 H 1 0.79 . . 1 . . . . . . . . 4294 1 837 . 1 1 81 81 ILE HD12 H 1 0.79 . . 1 . . . . . . . . 4294 1 838 . 1 1 81 81 ILE HD13 H 1 0.79 . . 1 . . . . . . . . 4294 1 839 . 1 1 81 81 ILE C C 13 176.71 . . 1 . . . . . . . . 4294 1 840 . 1 1 81 81 ILE CA C 13 62.74 . . 1 . . . . . . . . 4294 1 841 . 1 1 81 81 ILE CB C 13 38.18 . . 1 . . . . . . . . 4294 1 842 . 1 1 81 81 ILE CG1 C 13 28.93 . . 1 . . . . . . . . 4294 1 843 . 1 1 81 81 ILE CG2 C 13 16.39 . . 1 . . . . . . . . 4294 1 844 . 1 1 81 81 ILE CD1 C 13 14.03 . . 1 . . . . . . . . 4294 1 845 . 1 1 81 81 ILE N N 15 118.17 . . 1 . . . . . . . . 4294 1 846 . 1 1 82 82 GLY H H 1 9.28 . . 1 . . . . . . . . 4294 1 847 . 1 1 82 82 GLY HA2 H 1 3.39 . . 2 . . . . . . . . 4294 1 848 . 1 1 82 82 GLY HA3 H 1 4.32 . . 2 . . . . . . . . 4294 1 849 . 1 1 82 82 GLY C C 13 173.35 . . 1 . . . . . . . . 4294 1 850 . 1 1 82 82 GLY CA C 13 45.15 . . 1 . . . . . . . . 4294 1 851 . 1 1 82 82 GLY N N 15 114.57 . . 1 . . . . . . . . 4294 1 852 . 1 1 83 83 LYS H H 1 7.94 . . 1 . . . . . . . . 4294 1 853 . 1 1 83 83 LYS HA H 1 4.64 . . 1 . . . . . . . . 4294 1 854 . 1 1 83 83 LYS C C 13 173.93 . . 1 . . . . . . . . 4294 1 855 . 1 1 83 83 LYS CA C 13 54.33 . . 1 . . . . . . . . 4294 1 856 . 1 1 83 83 LYS N N 15 121.84 . . 1 . . . . . . . . 4294 1 857 . 1 1 84 84 PRO HA H 1 4.80 . . 1 . . . . . . . . 4294 1 858 . 1 1 84 84 PRO HB2 H 1 2.37 . . 2 . . . . . . . . 4294 1 859 . 1 1 84 84 PRO HB3 H 1 2.10 . . 2 . . . . . . . . 4294 1 860 . 1 1 84 84 PRO HG2 H 1 1.95 . . 2 . . . . . . . . 4294 1 861 . 1 1 84 84 PRO HG3 H 1 1.86 . . 2 . . . . . . . . 4294 1 862 . 1 1 84 84 PRO HD2 H 1 3.60 . . 2 . . . . . . . . 4294 1 863 . 1 1 84 84 PRO CA C 13 62.92 . . 1 . . . . . . . . 4294 1 864 . 1 1 84 84 PRO CB C 13 32.23 . . 1 . . . . . . . . 4294 1 865 . 1 1 84 84 PRO CG C 13 27.81 . . 1 . . . . . . . . 4294 1 866 . 1 1 84 84 PRO CD C 13 50.37 . . 1 . . . . . . . . 4294 1 867 . 1 1 85 85 ILE H H 1 7.43 . . 1 . . . . . . . . 4294 1 868 . 1 1 85 85 ILE HA H 1 3.94 . . 1 . . . . . . . . 4294 1 869 . 1 1 85 85 ILE HB H 1 1.58 . . 1 . . . . . . . . 4294 1 870 . 1 1 85 85 ILE HG12 H 1 1.31 . . 2 . . . . . . . . 4294 1 871 . 1 1 85 85 ILE HG13 H 1 0.91 . . 2 . . . . . . . . 4294 1 872 . 1 1 85 85 ILE HG21 H 1 0.78 . . 1 . . . . . . . . 4294 1 873 . 1 1 85 85 ILE HG22 H 1 0.78 . . 1 . . . . . . . . 4294 1 874 . 1 1 85 85 ILE HG23 H 1 0.78 . . 1 . . . . . . . . 4294 1 875 . 1 1 85 85 ILE HD11 H 1 0.73 . . 1 . . . . . . . . 4294 1 876 . 1 1 85 85 ILE HD12 H 1 0.73 . . 1 . . . . . . . . 4294 1 877 . 1 1 85 85 ILE HD13 H 1 0.73 . . 1 . . . . . . . . 4294 1 878 . 1 1 85 85 ILE C C 13 175.87 . . 1 . . . . . . . . 4294 1 879 . 1 1 85 85 ILE CA C 13 61.70 . . 1 . . . . . . . . 4294 1 880 . 1 1 85 85 ILE CB C 13 39.11 . . 1 . . . . . . . . 4294 1 881 . 1 1 85 85 ILE CG1 C 13 27.69 . . 1 . . . . . . . . 4294 1 882 . 1 1 85 85 ILE CG2 C 13 17.38 . . 1 . . . . . . . . 4294 1 883 . 1 1 85 85 ILE CD1 C 13 13.87 . . 1 . . . . . . . . 4294 1 884 . 1 1 85 85 ILE N N 15 120.40 . . 1 . . . . . . . . 4294 1 885 . 1 1 86 86 GLU H H 1 8.38 . . 1 . . . . . . . . 4294 1 886 . 1 1 86 86 GLU HA H 1 4.30 . . 1 . . . . . . . . 4294 1 887 . 1 1 86 86 GLU HB2 H 1 2.02 . . 2 . . . . . . . . 4294 1 888 . 1 1 86 86 GLU HB3 H 1 1.91 . . 2 . . . . . . . . 4294 1 889 . 1 1 86 86 GLU HG2 H 1 2.24 . . 2 . . . . . . . . 4294 1 890 . 1 1 86 86 GLU C C 13 176.19 . . 1 . . . . . . . . 4294 1 891 . 1 1 86 86 GLU CA C 13 56.37 . . 1 . . . . . . . . 4294 1 892 . 1 1 86 86 GLU CB C 13 30.54 . . 1 . . . . . . . . 4294 1 893 . 1 1 86 86 GLU CG C 13 36.33 . . 1 . . . . . . . . 4294 1 894 . 1 1 86 86 GLU N N 15 125.00 . . 1 . . . . . . . . 4294 1 895 . 1 1 87 87 LYS H H 1 8.37 . . 1 . . . . . . . . 4294 1 896 . 1 1 87 87 LYS HA H 1 4.30 . . 1 . . . . . . . . 4294 1 897 . 1 1 87 87 LYS HB2 H 1 1.83 . . 2 . . . . . . . . 4294 1 898 . 1 1 87 87 LYS HG2 H 1 1.44 . . 2 . . . . . . . . 4294 1 899 . 1 1 87 87 LYS HD2 H 1 1.71 . . 2 . . . . . . . . 4294 1 900 . 1 1 87 87 LYS HE2 H 1 2.99 . . 2 . . . . . . . . 4294 1 901 . 1 1 87 87 LYS C C 13 176.70 . . 1 . . . . . . . . 4294 1 902 . 1 1 87 87 LYS CA C 13 56.44 . . 1 . . . . . . . . 4294 1 903 . 1 1 87 87 LYS CB C 13 33.28 . . 1 . . . . . . . . 4294 1 904 . 1 1 87 87 LYS CG C 13 24.76 . . 1 . . . . . . . . 4294 1 905 . 1 1 87 87 LYS CD C 13 29.44 . . 1 . . . . . . . . 4294 1 906 . 1 1 87 87 LYS CE C 13 42.10 . . 1 . . . . . . . . 4294 1 907 . 1 1 87 87 LYS N N 15 123.67 . . 1 . . . . . . . . 4294 1 908 . 1 1 88 88 GLY H H 1 8.22 . . 1 . . . . . . . . 4294 1 909 . 1 1 88 88 GLY C C 13 171.95 . . 1 . . . . . . . . 4294 1 910 . 1 1 88 88 GLY N N 15 111.01 . . 1 . . . . . . . . 4294 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants _Coupling_constant_list.Entry_ID 4294 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_one _Coupling_constant_list.Spectrometer_frequency_1H . _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_one . 4294 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 17 17 VAL H . . . . 1 1 17 17 VAL HA . . . 6.9 . . . . . . . . . . . . . . 4294 1 2 3JHNHA . 1 1 18 18 THR H . . . . 1 1 18 18 THR HA . . . 6.1 . . . . . . . . . . . . . . 4294 1 3 3JHNHA . 1 1 19 19 LEU H . . . . 1 1 19 19 LEU HA . . . 4.9 . . . . . . . . . . . . . . 4294 1 4 3JHNHA . 1 1 31 31 SER H . . . . 1 1 31 31 SER HA . . . 2.1 . . . . . . . . . . . . . . 4294 1 5 3JHNHA . 1 1 32 32 LYS H . . . . 1 1 32 32 LYS HA . . . 9.0 . . . . . . . . . . . . . . 4294 1 6 3JHNHA . 1 1 34 34 LEU H . . . . 1 1 34 34 LEU HA . . . 9.4 . . . . . . . . . . . . . . 4294 1 7 3JHNHA . 1 1 35 35 THR H . . . . 1 1 35 35 THR HA . . . 7.8 . . . . . . . . . . . . . . 4294 1 8 3JHNHA . 1 1 42 42 LYS H . . . . 1 1 42 42 LYS HA . . . 3.1 . . . . . . . . . . . . . . 4294 1 9 3JHNHA . 1 1 43 43 ILE H . . . . 1 1 43 43 ILE HA . . . 10.6 . . . . . . . . . . . . . . 4294 1 10 3JHNHA . 1 1 44 44 ASN H . . . . 1 1 44 44 ASN HA . . . 8.0 . . . . . . . . . . . . . . 4294 1 11 3JHNHA . 1 1 45 45 GLU H . . . . 1 1 45 45 GLU HA . . . 9.7 . . . . . . . . . . . . . . 4294 1 12 3JHNHA . 1 1 46 46 LYS H . . . . 1 1 46 46 LYS HA . . . 4.0 . . . . . . . . . . . . . . 4294 1 13 3JHNHA . 1 1 49 49 VAL H . . . . 1 1 49 49 VAL HA . . . 5.6 . . . . . . . . . . . . . . 4294 1 14 3JHNHA . 1 1 50 50 ILE H . . . . 1 1 50 50 ILE HA . . . 4.4 . . . . . . . . . . . . . . 4294 1 15 3JHNHA . 1 1 53 53 TYR H . . . . 1 1 53 53 TYR HA . . . 3.6 . . . . . . . . . . . . . . 4294 1 16 3JHNHA . 1 1 55 55 SER H . . . . 1 1 55 55 SER HA . . . 8.1 . . . . . . . . . . . . . . 4294 1 17 3JHNHA . 1 1 57 57 ARG H . . . . 1 1 57 57 ARG HA . . . 8.0 . . . . . . . . . . . . . . 4294 1 18 3JHNHA . 1 1 58 58 ALA H . . . . 1 1 58 58 ALA HA . . . 7.4 . . . . . . . . . . . . . . 4294 1 19 3JHNHA . 1 1 59 59 ILE H . . . . 1 1 59 59 ILE HA . . . 9.1 . . . . . . . . . . . . . . 4294 1 20 3JHNHA . 1 1 63 63 GLN H . . . . 1 1 63 63 GLN HA . . . 5.2 . . . . . . . . . . . . . . 4294 1 21 3JHNHA . 1 1 64 64 VAL H . . . . 1 1 64 64 VAL HA . . . 5.3 . . . . . . . . . . . . . . 4294 1 22 3JHNHA . 1 1 67 67 LYS H . . . . 1 1 67 67 LYS HA . . . 4.0 . . . . . . . . . . . . . . 4294 1 23 3JHNHA . 1 1 70 70 ARG H . . . . 1 1 70 70 ARG HA . . . 2.3 . . . . . . . . . . . . . . 4294 1 24 3JHNHA . 1 1 71 71 ALA H . . . . 1 1 71 71 ALA HA . . . 6.1 . . . . . . . . . . . . . . 4294 1 25 3JHNHA . 1 1 72 72 ILE H . . . . 1 1 72 72 ILE HA . . . 10.2 . . . . . . . . . . . . . . 4294 1 26 3JHNHA . 1 1 74 74 LEU H . . . . 1 1 74 74 LEU HA . . . 10.2 . . . . . . . . . . . . . . 4294 1 27 3JHNHA . 1 1 75 75 LYS H . . . . 1 1 75 75 LYS HA . . . 3.4 . . . . . . . . . . . . . . 4294 1 28 3JHNHA . 1 1 76 76 LEU H . . . . 1 1 76 76 LEU HA . . . 9.6 . . . . . . . . . . . . . . 4294 1 29 3JHNHA . 1 1 77 77 ARG H . . . . 1 1 77 77 ARG HA . . . 9.4 . . . . . . . . . . . . . . 4294 1 30 3JHNHA . 1 1 80 80 ASP H . . . . 1 1 80 80 ASP HA . . . 9.0 . . . . . . . . . . . . . . 4294 1 stop_ save_