data_4851 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4851 _Entry.Title ; CDC4P from Schizosaccharomyces pombe ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-10-06 _Entry.Accession_date 2000-10-06 _Entry.Last_release_date 2000-10-23 _Entry.Original_release_date 2000-10-23 _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 Carolyn Slupsky . M. . 4851 2 Michel Desautels . . . 4851 3 Terry Huebert . . . 4851 4 Ruohong Zhao . . . 4851 5 Sean Hemmingsen . M. . 4851 6 Lawrence Mcintosh . P. . 4851 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4851 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 944 4851 '13C chemical shifts' 457 4851 '15N chemical shifts' 146 4851 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 . . 2000-10-23 2000-10-06 original author . 4851 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4851 _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 ; Structure of Cdc4p, a contractile ring protein essential for cytokinesis in Schizosaccharomyces pombe ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 276 _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 5943 _Citation.Page_last 5951 _Citation.Year 2001 _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 Carolyn Slupsky . M. . 4851 1 2 Michel Desautels . . . 4851 1 3 Terry Huebert . . . 4851 1 4 Ruohong Zhao . . . 4851 1 5 Sean Hemmingsen . M. . 4851 1 6 Lawrence Mcintosh . P. . 4851 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'light chain' 4851 1 cytokinesis 4851 1 'cell cycle' 4851 1 EF-hand 4851 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_CDC4p _Assembly.Sf_category assembly _Assembly.Sf_framecode system_CDC4p _Assembly.Entry_ID 4851 _Assembly.ID 1 _Assembly.Name 'CDC4P from Schizosaccharomyces pombe' _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 free' _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 4851 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 CDC4p 1 $CDC4p . . . native . . . . . 4851 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1GGW . . . . . . 4851 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'CDC4P from Schizosaccharomyces pombe' system 4851 1 CDC4p abbreviation 4851 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CDC4p _Entity.Sf_category entity _Entity.Sf_framecode CDC4p _Entity.Entry_ID 4851 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'EF-hand PROTEIN (CDC4P)' _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 ; MSTDDSPYKQAFSLFDRHGT GRIPKTSIGDLLRACGQNPT LAEITEIESTLPAEVDMEQF LQVLNRPNGFDMPGDPEEFV KGFQVFDKDATGMIGVGELR YVLTSLGEKLSNEEMDELLK GVPVKDGMVNYHDFVQMILA N ; _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 141 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 1GGW . "Cdc4p From Schizosaccharomyces Pombe" . . . . . 99.29 140 100.00 100.00 4.60e-97 . . . . 4851 1 2 no EMBL CAB55175 . "myosin II light chain [Schizosaccharomyces pombe]" . . . . . 100.00 141 100.00 100.00 5.35e-98 . . . . 4851 1 3 no GB AAA67467 . "EF-hand protein [Schizosaccharomyces pombe]" . . . . . 100.00 141 100.00 100.00 5.35e-98 . . . . 4851 1 4 no PRF 2119321A . "EF hand protein" . . . . . 100.00 141 99.29 99.29 7.13e-97 . . . . 4851 1 5 no REF NP_594947 . "myosin II light chain [Schizosaccharomyces pombe 972h-]" . . . . . 100.00 141 100.00 100.00 5.35e-98 . . . . 4851 1 6 no SP Q09196 . "RecName: Full=Myosin regulatory light chain cdc4 [Schizosaccharomyces pombe 972h-]" . . . . . 100.00 141 100.00 100.00 5.35e-98 . . . . 4851 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'EF-hand PROTEIN (CDC4P)' common 4851 1 CDC4p abbreviation 4851 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4851 1 2 . SER . 4851 1 3 . THR . 4851 1 4 . ASP . 4851 1 5 . ASP . 4851 1 6 . SER . 4851 1 7 . PRO . 4851 1 8 . TYR . 4851 1 9 . LYS . 4851 1 10 . GLN . 4851 1 11 . ALA . 4851 1 12 . PHE . 4851 1 13 . SER . 4851 1 14 . LEU . 4851 1 15 . PHE . 4851 1 16 . ASP . 4851 1 17 . ARG . 4851 1 18 . HIS . 4851 1 19 . GLY . 4851 1 20 . THR . 4851 1 21 . GLY . 4851 1 22 . ARG . 4851 1 23 . ILE . 4851 1 24 . PRO . 4851 1 25 . LYS . 4851 1 26 . THR . 4851 1 27 . SER . 4851 1 28 . ILE . 4851 1 29 . GLY . 4851 1 30 . ASP . 4851 1 31 . LEU . 4851 1 32 . LEU . 4851 1 33 . ARG . 4851 1 34 . ALA . 4851 1 35 . CYS . 4851 1 36 . GLY . 4851 1 37 . GLN . 4851 1 38 . ASN . 4851 1 39 . PRO . 4851 1 40 . THR . 4851 1 41 . LEU . 4851 1 42 . ALA . 4851 1 43 . GLU . 4851 1 44 . ILE . 4851 1 45 . THR . 4851 1 46 . GLU . 4851 1 47 . ILE . 4851 1 48 . GLU . 4851 1 49 . SER . 4851 1 50 . THR . 4851 1 51 . LEU . 4851 1 52 . PRO . 4851 1 53 . ALA . 4851 1 54 . GLU . 4851 1 55 . VAL . 4851 1 56 . ASP . 4851 1 57 . MET . 4851 1 58 . GLU . 4851 1 59 . GLN . 4851 1 60 . PHE . 4851 1 61 . LEU . 4851 1 62 . GLN . 4851 1 63 . VAL . 4851 1 64 . LEU . 4851 1 65 . ASN . 4851 1 66 . ARG . 4851 1 67 . PRO . 4851 1 68 . ASN . 4851 1 69 . GLY . 4851 1 70 . PHE . 4851 1 71 . ASP . 4851 1 72 . MET . 4851 1 73 . PRO . 4851 1 74 . GLY . 4851 1 75 . ASP . 4851 1 76 . PRO . 4851 1 77 . GLU . 4851 1 78 . GLU . 4851 1 79 . PHE . 4851 1 80 . VAL . 4851 1 81 . LYS . 4851 1 82 . GLY . 4851 1 83 . PHE . 4851 1 84 . GLN . 4851 1 85 . VAL . 4851 1 86 . PHE . 4851 1 87 . ASP . 4851 1 88 . LYS . 4851 1 89 . ASP . 4851 1 90 . ALA . 4851 1 91 . THR . 4851 1 92 . GLY . 4851 1 93 . MET . 4851 1 94 . ILE . 4851 1 95 . GLY . 4851 1 96 . VAL . 4851 1 97 . GLY . 4851 1 98 . GLU . 4851 1 99 . LEU . 4851 1 100 . ARG . 4851 1 101 . TYR . 4851 1 102 . VAL . 4851 1 103 . LEU . 4851 1 104 . THR . 4851 1 105 . SER . 4851 1 106 . LEU . 4851 1 107 . GLY . 4851 1 108 . GLU . 4851 1 109 . LYS . 4851 1 110 . LEU . 4851 1 111 . SER . 4851 1 112 . ASN . 4851 1 113 . GLU . 4851 1 114 . GLU . 4851 1 115 . MET . 4851 1 116 . ASP . 4851 1 117 . GLU . 4851 1 118 . LEU . 4851 1 119 . LEU . 4851 1 120 . LYS . 4851 1 121 . GLY . 4851 1 122 . VAL . 4851 1 123 . PRO . 4851 1 124 . VAL . 4851 1 125 . LYS . 4851 1 126 . ASP . 4851 1 127 . GLY . 4851 1 128 . MET . 4851 1 129 . VAL . 4851 1 130 . ASN . 4851 1 131 . TYR . 4851 1 132 . HIS . 4851 1 133 . ASP . 4851 1 134 . PHE . 4851 1 135 . VAL . 4851 1 136 . GLN . 4851 1 137 . MET . 4851 1 138 . ILE . 4851 1 139 . LEU . 4851 1 140 . ALA . 4851 1 141 . ASN . 4851 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4851 1 . SER 2 2 4851 1 . THR 3 3 4851 1 . ASP 4 4 4851 1 . ASP 5 5 4851 1 . SER 6 6 4851 1 . PRO 7 7 4851 1 . TYR 8 8 4851 1 . LYS 9 9 4851 1 . GLN 10 10 4851 1 . ALA 11 11 4851 1 . PHE 12 12 4851 1 . SER 13 13 4851 1 . LEU 14 14 4851 1 . PHE 15 15 4851 1 . ASP 16 16 4851 1 . ARG 17 17 4851 1 . HIS 18 18 4851 1 . GLY 19 19 4851 1 . THR 20 20 4851 1 . GLY 21 21 4851 1 . ARG 22 22 4851 1 . ILE 23 23 4851 1 . PRO 24 24 4851 1 . LYS 25 25 4851 1 . THR 26 26 4851 1 . SER 27 27 4851 1 . ILE 28 28 4851 1 . GLY 29 29 4851 1 . ASP 30 30 4851 1 . LEU 31 31 4851 1 . LEU 32 32 4851 1 . ARG 33 33 4851 1 . ALA 34 34 4851 1 . CYS 35 35 4851 1 . GLY 36 36 4851 1 . GLN 37 37 4851 1 . ASN 38 38 4851 1 . PRO 39 39 4851 1 . THR 40 40 4851 1 . LEU 41 41 4851 1 . ALA 42 42 4851 1 . GLU 43 43 4851 1 . ILE 44 44 4851 1 . THR 45 45 4851 1 . GLU 46 46 4851 1 . ILE 47 47 4851 1 . GLU 48 48 4851 1 . SER 49 49 4851 1 . THR 50 50 4851 1 . LEU 51 51 4851 1 . PRO 52 52 4851 1 . ALA 53 53 4851 1 . GLU 54 54 4851 1 . VAL 55 55 4851 1 . ASP 56 56 4851 1 . MET 57 57 4851 1 . GLU 58 58 4851 1 . GLN 59 59 4851 1 . PHE 60 60 4851 1 . LEU 61 61 4851 1 . GLN 62 62 4851 1 . VAL 63 63 4851 1 . LEU 64 64 4851 1 . ASN 65 65 4851 1 . ARG 66 66 4851 1 . PRO 67 67 4851 1 . ASN 68 68 4851 1 . GLY 69 69 4851 1 . PHE 70 70 4851 1 . ASP 71 71 4851 1 . MET 72 72 4851 1 . PRO 73 73 4851 1 . GLY 74 74 4851 1 . ASP 75 75 4851 1 . PRO 76 76 4851 1 . GLU 77 77 4851 1 . GLU 78 78 4851 1 . PHE 79 79 4851 1 . VAL 80 80 4851 1 . LYS 81 81 4851 1 . GLY 82 82 4851 1 . PHE 83 83 4851 1 . GLN 84 84 4851 1 . VAL 85 85 4851 1 . PHE 86 86 4851 1 . ASP 87 87 4851 1 . LYS 88 88 4851 1 . ASP 89 89 4851 1 . ALA 90 90 4851 1 . THR 91 91 4851 1 . GLY 92 92 4851 1 . MET 93 93 4851 1 . ILE 94 94 4851 1 . GLY 95 95 4851 1 . VAL 96 96 4851 1 . GLY 97 97 4851 1 . GLU 98 98 4851 1 . LEU 99 99 4851 1 . ARG 100 100 4851 1 . TYR 101 101 4851 1 . VAL 102 102 4851 1 . LEU 103 103 4851 1 . THR 104 104 4851 1 . SER 105 105 4851 1 . LEU 106 106 4851 1 . GLY 107 107 4851 1 . GLU 108 108 4851 1 . LYS 109 109 4851 1 . LEU 110 110 4851 1 . SER 111 111 4851 1 . ASN 112 112 4851 1 . GLU 113 113 4851 1 . GLU 114 114 4851 1 . MET 115 115 4851 1 . ASP 116 116 4851 1 . GLU 117 117 4851 1 . LEU 118 118 4851 1 . LEU 119 119 4851 1 . LYS 120 120 4851 1 . GLY 121 121 4851 1 . VAL 122 122 4851 1 . PRO 123 123 4851 1 . VAL 124 124 4851 1 . LYS 125 125 4851 1 . ASP 126 126 4851 1 . GLY 127 127 4851 1 . MET 128 128 4851 1 . VAL 129 129 4851 1 . ASN 130 130 4851 1 . TYR 131 131 4851 1 . HIS 132 132 4851 1 . ASP 133 133 4851 1 . PHE 134 134 4851 1 . VAL 135 135 4851 1 . GLN 136 136 4851 1 . MET 137 137 4851 1 . ILE 138 138 4851 1 . LEU 139 139 4851 1 . ALA 140 140 4851 1 . ASN 141 141 4851 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 4851 _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 $CDC4p . 4896 . . 'Schizosaccharomyces pombe' 'fission yeast' . . Eukaryota Fungi Schizosaccharomyces pombe . . . . . . . . . . . . . . . . . . . . . 4851 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 4851 _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 $CDC4p . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . PT7-7 . . . . . . 4851 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4851 _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 'EF-hand PROTEIN (CDC4P)' [U-15N] . . 1 $CDC4p . . . 4.5 5.5 mM . . . . 4851 1 2 KCl . . . . . . . 100 . . mM . . . . 4851 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4851 _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 'EF-hand PROTEIN (CDC4P)' '[U-15N; U-13C]' . . 1 $CDC4p . . . 4.5 5.5 mM . . . . 4851 2 2 KCl . . . . . . . 100 . . mM . . . . 4851 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4851 _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 0.1 n/a 4851 1 temperature 303 1 K 4851 1 'ionic strength' 100 . mM 4851 1 pressure 1 . atm 4851 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 4851 _Software.ID 1 _Software.Name X-PLOR _Software.Version 3.8 _Software.Details BRUNGER loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 4851 1 'structure solution' 4851 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4851 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4851 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian Unity . 500 . . . 4851 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 4851 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4851 1 2 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4851 1 3 '3D C(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4851 1 4 '3D HCCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4851 1 5 '3D 15N-TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4851 1 6 '3D 15N-NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4851 1 7 '3D HNHB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4851 1 8 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4851 1 9 '2D COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4851 1 10 3D-HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4851 1 11 '3D 13C/15N-NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4851 1 12 '4D 13C/13C-HMQC-NOESY-HMQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4851 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4851 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4851 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4851 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D C(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4851 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4851 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D 15N-TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4851 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 15N-NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4851 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HNHB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4851 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4851 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '2D COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4851 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 3D-HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4851 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D 13C/15N-NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4851 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '4D 13C/13C-HMQC-NOESY-HMQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4851 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0 external direct . . external . . . . . . . 4851 1 C 13 DSS 'methyl protons' . . . . ppm 0 external direct . . external . . . . . . . 4851 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 4851 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4851 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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_1 . 4851 1 . . 2 $sample_2 . 4851 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.20 0.03 . 1 . . . . . . . . 4851 1 2 . 1 1 2 2 SER HB2 H 1 3.84 0.03 . 2 . . . . . . . . 4851 1 3 . 1 1 2 2 SER HB3 H 1 4.02 0.03 . 2 . . . . . . . . 4851 1 4 . 1 1 2 2 SER CA C 13 59.79 0.50 . 1 . . . . . . . . 4851 1 5 . 1 1 2 2 SER CB C 13 63.54 0.50 . 1 . . . . . . . . 4851 1 6 . 1 1 3 3 THR H H 1 8.19 0.03 . 1 . . . . . . . . 4851 1 7 . 1 1 3 3 THR HA H 1 4.26 0.03 . 1 . . . . . . . . 4851 1 8 . 1 1 3 3 THR HB H 1 4.26 0.03 . 1 . . . . . . . . 4851 1 9 . 1 1 3 3 THR HG21 H 1 1.22 0.03 . 1 . . . . . . . . 4851 1 10 . 1 1 3 3 THR HG22 H 1 1.22 0.03 . 1 . . . . . . . . 4851 1 11 . 1 1 3 3 THR HG23 H 1 1.22 0.03 . 1 . . . . . . . . 4851 1 12 . 1 1 3 3 THR CA C 13 62.42 0.50 . 1 . . . . . . . . 4851 1 13 . 1 1 3 3 THR CB C 13 69.44 0.50 . 1 . . . . . . . . 4851 1 14 . 1 1 3 3 THR CG2 C 13 21.60 0.50 . 1 . . . . . . . . 4851 1 15 . 1 1 3 3 THR N N 15 120.87 0.25 . 1 . . . . . . . . 4851 1 16 . 1 1 4 4 ASP H H 1 8.31 0.03 . 1 . . . . . . . . 4851 1 17 . 1 1 4 4 ASP HA H 1 4.60 0.03 . 1 . . . . . . . . 4851 1 18 . 1 1 4 4 ASP HB2 H 1 2.65 0.03 . 1 . . . . . . . . 4851 1 19 . 1 1 4 4 ASP HB3 H 1 2.65 0.03 . 1 . . . . . . . . 4851 1 20 . 1 1 4 4 ASP CA C 13 54.49 0.50 . 1 . . . . . . . . 4851 1 21 . 1 1 4 4 ASP CB C 13 41.09 0.50 . 1 . . . . . . . . 4851 1 22 . 1 1 4 4 ASP N N 15 121.98 0.25 . 1 . . . . . . . . 4851 1 23 . 1 1 5 5 ASP H H 1 8.16 0.03 . 1 . . . . . . . . 4851 1 24 . 1 1 5 5 ASP HA H 1 4.68 0.03 . 1 . . . . . . . . 4851 1 25 . 1 1 5 5 ASP HB2 H 1 2.71 0.03 . 1 . . . . . . . . 4851 1 26 . 1 1 5 5 ASP HB3 H 1 2.71 0.03 . 1 . . . . . . . . 4851 1 27 . 1 1 5 5 ASP CA C 13 53.93 0.50 . 1 . . . . . . . . 4851 1 28 . 1 1 5 5 ASP CB C 13 41.09 0.50 . 1 . . . . . . . . 4851 1 29 . 1 1 5 5 ASP N N 15 120.27 0.25 . 1 . . . . . . . . 4851 1 30 . 1 1 6 6 SER H H 1 8.26 0.03 . 1 . . . . . . . . 4851 1 31 . 1 1 6 6 SER HA H 1 4.55 0.03 . 1 . . . . . . . . 4851 1 32 . 1 1 6 6 SER HB2 H 1 3.87 0.03 . 1 . . . . . . . . 4851 1 33 . 1 1 6 6 SER HB3 H 1 4.11 0.03 . 1 . . . . . . . . 4851 1 34 . 1 1 6 6 SER CA C 13 58.71 0.50 . 1 . . . . . . . . 4851 1 35 . 1 1 6 6 SER CB C 13 63.26 0.50 . 1 . . . . . . . . 4851 1 36 . 1 1 6 6 SER N N 15 116.85 0.25 . 1 . . . . . . . . 4851 1 37 . 1 1 7 7 PRO HA H 1 4.39 0.03 . 1 . . . . . . . . 4851 1 38 . 1 1 7 7 PRO HB2 H 1 2.22 0.03 . 2 . . . . . . . . 4851 1 39 . 1 1 7 7 PRO HB3 H 1 1.47 0.03 . 2 . . . . . . . . 4851 1 40 . 1 1 7 7 PRO HG2 H 1 1.87 0.03 . 1 . . . . . . . . 4851 1 41 . 1 1 7 7 PRO HG3 H 1 1.87 0.03 . 1 . . . . . . . . 4851 1 42 . 1 1 7 7 PRO HD2 H 1 3.74 0.03 . 2 . . . . . . . . 4851 1 43 . 1 1 7 7 PRO HD3 H 1 3.55 0.03 . 2 . . . . . . . . 4851 1 44 . 1 1 7 7 PRO CA C 13 64.76 0.50 . 1 . . . . . . . . 4851 1 45 . 1 1 7 7 PRO CB C 13 31.49 0.50 . 1 . . . . . . . . 4851 1 46 . 1 1 7 7 PRO CG C 13 27.30 0.50 . 1 . . . . . . . . 4851 1 47 . 1 1 7 7 PRO CD C 13 50.84 0.50 . 1 . . . . . . . . 4851 1 48 . 1 1 8 8 TYR H H 1 7.34 0.03 . 1 . . . . . . . . 4851 1 49 . 1 1 8 8 TYR HA H 1 4.86 0.03 . 1 . . . . . . . . 4851 1 50 . 1 1 8 8 TYR HB2 H 1 2.90 0.03 . 1 . . . . . . . . 4851 1 51 . 1 1 8 8 TYR HB3 H 1 3.55 0.03 . 1 . . . . . . . . 4851 1 52 . 1 1 8 8 TYR HD1 H 1 7.15 0.03 . 1 . . . . . . . . 4851 1 53 . 1 1 8 8 TYR HD2 H 1 7.15 0.03 . 1 . . . . . . . . 4851 1 54 . 1 1 8 8 TYR HE1 H 1 6.99 0.03 . 1 . . . . . . . . 4851 1 55 . 1 1 8 8 TYR HE2 H 1 6.99 0.03 . 1 . . . . . . . . 4851 1 56 . 1 1 8 8 TYR CA C 13 58.25 0.50 . 1 . . . . . . . . 4851 1 57 . 1 1 8 8 TYR CB C 13 37.43 0.50 . 1 . . . . . . . . 4851 1 58 . 1 1 8 8 TYR CD1 C 13 132.59 0.50 . 1 . . . . . . . . 4851 1 59 . 1 1 8 8 TYR CD2 C 13 132.59 0.50 . 1 . . . . . . . . 4851 1 60 . 1 1 8 8 TYR CE1 C 13 118.55 0.50 . 1 . . . . . . . . 4851 1 61 . 1 1 8 8 TYR CE2 C 13 118.55 0.50 . 1 . . . . . . . . 4851 1 62 . 1 1 8 8 TYR N N 15 117.66 0.25 . 1 . . . . . . . . 4851 1 63 . 1 1 9 9 LYS H H 1 7.73 0.03 . 1 . . . . . . . . 4851 1 64 . 1 1 9 9 LYS HA H 1 4.16 0.03 . 1 . . . . . . . . 4851 1 65 . 1 1 9 9 LYS HB2 H 1 1.97 0.03 . 1 . . . . . . . . 4851 1 66 . 1 1 9 9 LYS HB3 H 1 1.97 0.03 . 1 . . . . . . . . 4851 1 67 . 1 1 9 9 LYS HG2 H 1 1.57 0.03 . 1 . . . . . . . . 4851 1 68 . 1 1 9 9 LYS HG3 H 1 1.57 0.03 . 1 . . . . . . . . 4851 1 69 . 1 1 9 9 LYS HD2 H 1 1.75 0.03 . 1 . . . . . . . . 4851 1 70 . 1 1 9 9 LYS HD3 H 1 1.75 0.03 . 1 . . . . . . . . 4851 1 71 . 1 1 9 9 LYS HE2 H 1 2.97 0.03 . 1 . . . . . . . . 4851 1 72 . 1 1 9 9 LYS HE3 H 1 2.97 0.03 . 1 . . . . . . . . 4851 1 73 . 1 1 9 9 LYS CA C 13 59.86 0.50 . 1 . . . . . . . . 4851 1 74 . 1 1 9 9 LYS CB C 13 32.53 0.50 . 1 . . . . . . . . 4851 1 75 . 1 1 9 9 LYS CG C 13 25.85 0.50 . 1 . . . . . . . . 4851 1 76 . 1 1 9 9 LYS CD C 13 29.43 0.50 . 1 . . . . . . . . 4851 1 77 . 1 1 9 9 LYS CE C 13 42.30 0.50 . 1 . . . . . . . . 4851 1 78 . 1 1 9 9 LYS N N 15 120.27 0.25 . 1 . . . . . . . . 4851 1 79 . 1 1 10 10 GLN H H 1 8.14 0.03 . 1 . . . . . . . . 4851 1 80 . 1 1 10 10 GLN HA H 1 4.10 0.03 . 1 . . . . . . . . 4851 1 81 . 1 1 10 10 GLN HB2 H 1 2.14 0.03 . 1 . . . . . . . . 4851 1 82 . 1 1 10 10 GLN HB3 H 1 2.14 0.03 . 1 . . . . . . . . 4851 1 83 . 1 1 10 10 GLN HG2 H 1 2.44 0.03 . 1 . . . . . . . . 4851 1 84 . 1 1 10 10 GLN HG3 H 1 2.44 0.03 . 1 . . . . . . . . 4851 1 85 . 1 1 10 10 GLN HE21 H 1 6.84 0.03 . 2 . . . . . . . . 4851 1 86 . 1 1 10 10 GLN HE22 H 1 7.42 0.03 . 2 . . . . . . . . 4851 1 87 . 1 1 10 10 GLN CA C 13 58.91 0.50 . 1 . . . . . . . . 4851 1 88 . 1 1 10 10 GLN CB C 13 28.07 0.50 . 1 . . . . . . . . 4851 1 89 . 1 1 10 10 GLN CG C 13 33.99 0.50 . 1 . . . . . . . . 4851 1 90 . 1 1 10 10 GLN N N 15 118.52 0.25 . 1 . . . . . . . . 4851 1 91 . 1 1 10 10 GLN NE2 N 15 111.64 0.25 . 1 . . . . . . . . 4851 1 92 . 1 1 11 11 ALA H H 1 7.88 0.03 . 1 . . . . . . . . 4851 1 93 . 1 1 11 11 ALA HA H 1 4.11 0.03 . 1 . . . . . . . . 4851 1 94 . 1 1 11 11 ALA HB1 H 1 1.53 0.03 . 1 . . . . . . . . 4851 1 95 . 1 1 11 11 ALA HB2 H 1 1.53 0.03 . 1 . . . . . . . . 4851 1 96 . 1 1 11 11 ALA HB3 H 1 1.53 0.03 . 1 . . . . . . . . 4851 1 97 . 1 1 11 11 ALA CA C 13 55.31 0.50 . 1 . . . . . . . . 4851 1 98 . 1 1 11 11 ALA CB C 13 18.69 0.50 . 1 . . . . . . . . 4851 1 99 . 1 1 11 11 ALA N N 15 122.40 0.25 . 1 . . . . . . . . 4851 1 100 . 1 1 12 12 PHE H H 1 7.96 0.03 . 1 . . . . . . . . 4851 1 101 . 1 1 12 12 PHE HA H 1 3.71 0.03 . 1 . . . . . . . . 4851 1 102 . 1 1 12 12 PHE HB2 H 1 2.83 0.03 . 1 . . . . . . . . 4851 1 103 . 1 1 12 12 PHE HB3 H 1 3.31 0.03 . 1 . . . . . . . . 4851 1 104 . 1 1 12 12 PHE HD1 H 1 6.76 0.03 . 1 . . . . . . . . 4851 1 105 . 1 1 12 12 PHE HD2 H 1 6.76 0.03 . 1 . . . . . . . . 4851 1 106 . 1 1 12 12 PHE HE1 H 1 6.87 0.03 . 1 . . . . . . . . 4851 1 107 . 1 1 12 12 PHE HE2 H 1 6.87 0.03 . 1 . . . . . . . . 4851 1 108 . 1 1 12 12 PHE HZ H 1 7.39 0.03 . 1 . . . . . . . . 4851 1 109 . 1 1 12 12 PHE CA C 13 62.04 0.50 . 1 . . . . . . . . 4851 1 110 . 1 1 12 12 PHE CB C 13 39.71 0.50 . 1 . . . . . . . . 4851 1 111 . 1 1 12 12 PHE CD1 C 13 131.90 0.50 . 1 . . . . . . . . 4851 1 112 . 1 1 12 12 PHE CD2 C 13 131.90 0.50 . 1 . . . . . . . . 4851 1 113 . 1 1 12 12 PHE CE1 C 13 129.80 0.50 . 1 . . . . . . . . 4851 1 114 . 1 1 12 12 PHE CE2 C 13 129.80 0.50 . 1 . . . . . . . . 4851 1 115 . 1 1 12 12 PHE CZ C 13 129.80 0.50 . 1 . . . . . . . . 4851 1 116 . 1 1 12 12 PHE N N 15 117.71 0.25 . 1 . . . . . . . . 4851 1 117 . 1 1 13 13 SER H H 1 8.05 0.03 . 1 . . . . . . . . 4851 1 118 . 1 1 13 13 SER HA H 1 4.27 0.03 . 1 . . . . . . . . 4851 1 119 . 1 1 13 13 SER HB2 H 1 4.10 0.03 . 1 . . . . . . . . 4851 1 120 . 1 1 13 13 SER HB3 H 1 4.10 0.03 . 1 . . . . . . . . 4851 1 121 . 1 1 13 13 SER CA C 13 61.78 0.50 . 1 . . . . . . . . 4851 1 122 . 1 1 13 13 SER CB C 13 63.16 0.50 . 1 . . . . . . . . 4851 1 123 . 1 1 13 13 SER N N 15 112.14 0.25 . 1 . . . . . . . . 4851 1 124 . 1 1 14 14 LEU H H 1 7.53 0.03 . 1 . . . . . . . . 4851 1 125 . 1 1 14 14 LEU HA H 1 3.93 0.03 . 1 . . . . . . . . 4851 1 126 . 1 1 14 14 LEU HB2 H 1 1.72 0.03 . 1 . . . . . . . . 4851 1 127 . 1 1 14 14 LEU HB3 H 1 1.15 0.03 . 1 . . . . . . . . 4851 1 128 . 1 1 14 14 LEU HG H 1 1.69 0.03 . 1 . . . . . . . . 4851 1 129 . 1 1 14 14 LEU HD11 H 1 0.82 0.03 . 1 . . . . . . . . 4851 1 130 . 1 1 14 14 LEU HD12 H 1 0.82 0.03 . 1 . . . . . . . . 4851 1 131 . 1 1 14 14 LEU HD13 H 1 0.82 0.03 . 1 . . . . . . . . 4851 1 132 . 1 1 14 14 LEU HD21 H 1 0.73 0.03 . 1 . . . . . . . . 4851 1 133 . 1 1 14 14 LEU HD22 H 1 0.73 0.03 . 1 . . . . . . . . 4851 1 134 . 1 1 14 14 LEU HD23 H 1 0.73 0.03 . 1 . . . . . . . . 4851 1 135 . 1 1 14 14 LEU CA C 13 56.94 0.50 . 1 . . . . . . . . 4851 1 136 . 1 1 14 14 LEU CB C 13 41.22 0.50 . 1 . . . . . . . . 4851 1 137 . 1 1 14 14 LEU CG C 13 26.43 0.50 . 1 . . . . . . . . 4851 1 138 . 1 1 14 14 LEU CD1 C 13 24.77 0.50 . 1 . . . . . . . . 4851 1 139 . 1 1 14 14 LEU CD2 C 13 22.62 0.50 . 1 . . . . . . . . 4851 1 140 . 1 1 14 14 LEU N N 15 121.12 0.25 . 1 . . . . . . . . 4851 1 141 . 1 1 15 15 PHE H H 1 7.49 0.03 . 1 . . . . . . . . 4851 1 142 . 1 1 15 15 PHE HA H 1 4.24 0.03 . 1 . . . . . . . . 4851 1 143 . 1 1 15 15 PHE HB2 H 1 2.62 0.03 . 1 . . . . . . . . 4851 1 144 . 1 1 15 15 PHE HB3 H 1 3.03 0.03 . 1 . . . . . . . . 4851 1 145 . 1 1 15 15 PHE HD1 H 1 7.34 0.03 . 1 . . . . . . . . 4851 1 146 . 1 1 15 15 PHE HD2 H 1 7.34 0.03 . 1 . . . . . . . . 4851 1 147 . 1 1 15 15 PHE CA C 13 58.51 0.50 . 1 . . . . . . . . 4851 1 148 . 1 1 15 15 PHE CB C 13 39.64 0.50 . 1 . . . . . . . . 4851 1 149 . 1 1 15 15 PHE CD1 C 13 132.41 0.50 . 1 . . . . . . . . 4851 1 150 . 1 1 15 15 PHE CD2 C 13 132.41 0.50 . 1 . . . . . . . . 4851 1 151 . 1 1 15 15 PHE N N 15 115.48 0.25 . 1 . . . . . . . . 4851 1 152 . 1 1 16 16 ASP H H 1 7.34 0.03 . 1 . . . . . . . . 4851 1 153 . 1 1 16 16 ASP HA H 1 4.77 0.03 . 1 . . . . . . . . 4851 1 154 . 1 1 16 16 ASP HB2 H 1 2.88 0.03 . 2 . . . . . . . . 4851 1 155 . 1 1 16 16 ASP HB3 H 1 2.10 0.03 . 2 . . . . . . . . 4851 1 156 . 1 1 16 16 ASP CA C 13 52.19 0.50 . 1 . . . . . . . . 4851 1 157 . 1 1 16 16 ASP CB C 13 39.69 0.50 . 1 . . . . . . . . 4851 1 158 . 1 1 16 16 ASP N N 15 122.41 0.25 . 1 . . . . . . . . 4851 1 159 . 1 1 17 17 ARG H H 1 7.96 0.03 . 1 . . . . . . . . 4851 1 160 . 1 1 17 17 ARG HA H 1 3.99 0.03 . 1 . . . . . . . . 4851 1 161 . 1 1 17 17 ARG HB2 H 1 1.54 0.03 . 1 . . . . . . . . 4851 1 162 . 1 1 17 17 ARG HB3 H 1 1.54 0.03 . 1 . . . . . . . . 4851 1 163 . 1 1 17 17 ARG HG2 H 1 1.38 0.03 . 1 . . . . . . . . 4851 1 164 . 1 1 17 17 ARG HG3 H 1 1.38 0.03 . 1 . . . . . . . . 4851 1 165 . 1 1 17 17 ARG HD2 H 1 3.08 0.03 . 1 . . . . . . . . 4851 1 166 . 1 1 17 17 ARG HD3 H 1 3.08 0.03 . 1 . . . . . . . . 4851 1 167 . 1 1 17 17 ARG CA C 13 58.05 0.50 . 1 . . . . . . . . 4851 1 168 . 1 1 17 17 ARG CB C 13 30.07 0.50 . 1 . . . . . . . . 4851 1 169 . 1 1 17 17 ARG CG C 13 26.85 0.50 . 1 . . . . . . . . 4851 1 170 . 1 1 17 17 ARG CD C 13 42.88 0.50 . 1 . . . . . . . . 4851 1 171 . 1 1 17 17 ARG N N 15 122.38 0.25 . 1 . . . . . . . . 4851 1 172 . 1 1 18 18 HIS H H 1 8.78 0.03 . 1 . . . . . . . . 4851 1 173 . 1 1 18 18 HIS HA H 1 4.87 0.03 . 1 . . . . . . . . 4851 1 174 . 1 1 18 18 HIS HB2 H 1 3.14 0.03 . 1 . . . . . . . . 4851 1 175 . 1 1 18 18 HIS HB3 H 1 3.43 0.03 . 1 . . . . . . . . 4851 1 176 . 1 1 18 18 HIS HD2 H 1 7.15 0.03 . 1 . . . . . . . . 4851 1 177 . 1 1 18 18 HIS HE1 H 1 8.09 0.03 . 1 . . . . . . . . 4851 1 178 . 1 1 18 18 HIS CA C 13 55.17 0.50 . 1 . . . . . . . . 4851 1 179 . 1 1 18 18 HIS CB C 13 30.18 0.50 . 1 . . . . . . . . 4851 1 180 . 1 1 18 18 HIS CD2 C 13 120.21 0.50 . 1 . . . . . . . . 4851 1 181 . 1 1 18 18 HIS CE1 C 13 137.70 0.50 . 1 . . . . . . . . 4851 1 182 . 1 1 18 18 HIS N N 15 114.71 0.25 . 1 . . . . . . . . 4851 1 183 . 1 1 18 18 HIS ND1 N 15 203.50 0.25 . 1 . . . . . . . . 4851 1 184 . 1 1 18 18 HIS NE2 N 15 181.00 0.25 . 1 . . . . . . . . 4851 1 185 . 1 1 19 19 GLY H H 1 7.94 0.03 . 1 . . . . . . . . 4851 1 186 . 1 1 19 19 GLY HA2 H 1 3.95 0.03 . 1 . . . . . . . . 4851 1 187 . 1 1 19 19 GLY HA3 H 1 3.95 0.03 . 1 . . . . . . . . 4851 1 188 . 1 1 19 19 GLY CA C 13 47.49 0.50 . 1 . . . . . . . . 4851 1 189 . 1 1 19 19 GLY N N 15 110.86 0.25 . 1 . . . . . . . . 4851 1 190 . 1 1 20 20 THR H H 1 9.14 0.03 . 1 . . . . . . . . 4851 1 191 . 1 1 20 20 THR HA H 1 4.40 0.03 . 1 . . . . . . . . 4851 1 192 . 1 1 20 20 THR HB H 1 4.40 0.03 . 1 . . . . . . . . 4851 1 193 . 1 1 20 20 THR HG21 H 1 1.23 0.03 . 1 . . . . . . . . 4851 1 194 . 1 1 20 20 THR HG22 H 1 1.23 0.03 . 1 . . . . . . . . 4851 1 195 . 1 1 20 20 THR HG23 H 1 1.23 0.03 . 1 . . . . . . . . 4851 1 196 . 1 1 20 20 THR CA C 13 61.83 0.50 . 1 . . . . . . . . 4851 1 197 . 1 1 20 20 THR CB C 13 70.55 0.50 . 1 . . . . . . . . 4851 1 198 . 1 1 20 20 THR CG2 C 13 22.10 0.50 . 1 . . . . . . . . 4851 1 199 . 1 1 20 20 THR N N 15 112.09 0.25 . 1 . . . . . . . . 4851 1 200 . 1 1 21 21 GLY H H 1 10.48 0.03 . 1 . . . . . . . . 4851 1 201 . 1 1 21 21 GLY HA2 H 1 4.33 0.03 . 2 . . . . . . . . 4851 1 202 . 1 1 21 21 GLY HA3 H 1 3.82 0.03 . 2 . . . . . . . . 4851 1 203 . 1 1 21 21 GLY CA C 13 45.52 0.50 . 1 . . . . . . . . 4851 1 204 . 1 1 21 21 GLY N N 15 114.71 0.25 . 1 . . . . . . . . 4851 1 205 . 1 1 22 22 ARG H H 1 7.68 0.03 . 1 . . . . . . . . 4851 1 206 . 1 1 22 22 ARG HA H 1 5.33 0.03 . 1 . . . . . . . . 4851 1 207 . 1 1 22 22 ARG HB2 H 1 1.52 0.03 . 1 . . . . . . . . 4851 1 208 . 1 1 22 22 ARG HB3 H 1 1.52 0.03 . 1 . . . . . . . . 4851 1 209 . 1 1 22 22 ARG HG2 H 1 1.55 0.03 . 2 . . . . . . . . 4851 1 210 . 1 1 22 22 ARG HG3 H 1 1.41 0.03 . 2 . . . . . . . . 4851 1 211 . 1 1 22 22 ARG HD2 H 1 2.96 0.03 . 2 . . . . . . . . 4851 1 212 . 1 1 22 22 ARG HD3 H 1 3.15 0.03 . 2 . . . . . . . . 4851 1 213 . 1 1 22 22 ARG CA C 13 54.27 0.50 . 1 . . . . . . . . 4851 1 214 . 1 1 22 22 ARG CB C 13 34.62 0.50 . 1 . . . . . . . . 4851 1 215 . 1 1 22 22 ARG CG C 13 27.59 0.50 . 1 . . . . . . . . 4851 1 216 . 1 1 22 22 ARG CD C 13 43.42 0.50 . 1 . . . . . . . . 4851 1 217 . 1 1 22 22 ARG N N 15 117.74 0.25 . 1 . . . . . . . . 4851 1 218 . 1 1 23 23 ILE H H 1 8.71 0.03 . 1 . . . . . . . . 4851 1 219 . 1 1 23 23 ILE HA H 1 4.86 0.03 . 1 . . . . . . . . 4851 1 220 . 1 1 23 23 ILE HB H 1 1.51 0.03 . 1 . . . . . . . . 4851 1 221 . 1 1 23 23 ILE HG12 H 1 1.13 0.03 . 2 . . . . . . . . 4851 1 222 . 1 1 23 23 ILE HG13 H 1 0.71 0.03 . 2 . . . . . . . . 4851 1 223 . 1 1 23 23 ILE HD11 H 1 0.16 0.03 . 1 . . . . . . . . 4851 1 224 . 1 1 23 23 ILE HD12 H 1 0.16 0.03 . 1 . . . . . . . . 4851 1 225 . 1 1 23 23 ILE HD13 H 1 0.16 0.03 . 1 . . . . . . . . 4851 1 226 . 1 1 23 23 ILE HG21 H 1 0.01 0.03 . 1 . . . . . . . . 4851 1 227 . 1 1 23 23 ILE HG22 H 1 0.01 0.03 . 1 . . . . . . . . 4851 1 228 . 1 1 23 23 ILE HG23 H 1 0.01 0.03 . 1 . . . . . . . . 4851 1 229 . 1 1 23 23 ILE CA C 13 56.91 0.50 . 1 . . . . . . . . 4851 1 230 . 1 1 23 23 ILE CB C 13 39.10 0.50 . 1 . . . . . . . . 4851 1 231 . 1 1 23 23 ILE CG1 C 13 25.02 0.50 . 1 . . . . . . . . 4851 1 232 . 1 1 23 23 ILE CD1 C 13 14.68 0.50 . 1 . . . . . . . . 4851 1 233 . 1 1 23 23 ILE CG2 C 13 17.77 0.50 . 1 . . . . . . . . 4851 1 234 . 1 1 23 23 ILE N N 15 113.86 0.25 . 1 . . . . . . . . 4851 1 235 . 1 1 24 24 PRO HA H 1 4.90 0.03 . 1 . . . . . . . . 4851 1 236 . 1 1 24 24 PRO HB2 H 1 2.21 0.03 . 2 . . . . . . . . 4851 1 237 . 1 1 24 24 PRO HB3 H 1 2.10 0.03 . 2 . . . . . . . . 4851 1 238 . 1 1 24 24 PRO HG2 H 1 2.46 0.03 . 1 . . . . . . . . 4851 1 239 . 1 1 24 24 PRO HG3 H 1 2.46 0.03 . 1 . . . . . . . . 4851 1 240 . 1 1 24 24 PRO HD2 H 1 3.56 0.03 . 1 . . . . . . . . 4851 1 241 . 1 1 24 24 PRO HD3 H 1 3.56 0.03 . 1 . . . . . . . . 4851 1 242 . 1 1 24 24 PRO CA C 13 62.34 0.50 . 1 . . . . . . . . 4851 1 243 . 1 1 24 24 PRO CB C 13 31.98 0.50 . 1 . . . . . . . . 4851 1 244 . 1 1 24 24 PRO CG C 13 27.93 0.50 . 1 . . . . . . . . 4851 1 245 . 1 1 25 25 LYS H H 1 8.57 0.03 . 1 . . . . . . . . 4851 1 246 . 1 1 25 25 LYS HA H 1 3.90 0.03 . 1 . . . . . . . . 4851 1 247 . 1 1 25 25 LYS HB2 H 1 2.29 0.03 . 1 . . . . . . . . 4851 1 248 . 1 1 25 25 LYS HB3 H 1 1.79 0.03 . 1 . . . . . . . . 4851 1 249 . 1 1 25 25 LYS HG2 H 1 1.61 0.03 . 2 . . . . . . . . 4851 1 250 . 1 1 25 25 LYS HG3 H 1 1.18 0.03 . 2 . . . . . . . . 4851 1 251 . 1 1 25 25 LYS HD2 H 1 1.71 0.03 . 1 . . . . . . . . 4851 1 252 . 1 1 25 25 LYS HD3 H 1 1.71 0.03 . 1 . . . . . . . . 4851 1 253 . 1 1 25 25 LYS HE2 H 1 2.96 0.03 . 1 . . . . . . . . 4851 1 254 . 1 1 25 25 LYS HE3 H 1 2.96 0.03 . 1 . . . . . . . . 4851 1 255 . 1 1 25 25 LYS CA C 13 59.53 0.50 . 1 . . . . . . . . 4851 1 256 . 1 1 25 25 LYS CB C 13 31.47 0.50 . 1 . . . . . . . . 4851 1 257 . 1 1 25 25 LYS CG C 13 23.80 0.50 . 1 . . . . . . . . 4851 1 258 . 1 1 25 25 LYS CD C 13 29.19 0.50 . 1 . . . . . . . . 4851 1 259 . 1 1 25 25 LYS CE C 13 41.29 0.50 . 1 . . . . . . . . 4851 1 260 . 1 1 25 25 LYS N N 15 122.48 0.25 . 1 . . . . . . . . 4851 1 261 . 1 1 26 26 THR H H 1 7.28 0.03 . 1 . . . . . . . . 4851 1 262 . 1 1 26 26 THR HA H 1 4.28 0.03 . 1 . . . . . . . . 4851 1 263 . 1 1 26 26 THR HB H 1 4.51 0.03 . 1 . . . . . . . . 4851 1 264 . 1 1 26 26 THR HG21 H 1 1.31 0.03 . 1 . . . . . . . . 4851 1 265 . 1 1 26 26 THR HG22 H 1 1.31 0.03 . 1 . . . . . . . . 4851 1 266 . 1 1 26 26 THR HG23 H 1 1.31 0.03 . 1 . . . . . . . . 4851 1 267 . 1 1 26 26 THR CA C 13 62.82 0.50 . 1 . . . . . . . . 4851 1 268 . 1 1 26 26 THR CB C 13 68.22 0.50 . 1 . . . . . . . . 4851 1 269 . 1 1 26 26 THR CG2 C 13 22.04 0.50 . 1 . . . . . . . . 4851 1 270 . 1 1 26 26 THR N N 15 106.58 0.25 . 1 . . . . . . . . 4851 1 271 . 1 1 27 27 SER H H 1 8.14 0.03 . 1 . . . . . . . . 4851 1 272 . 1 1 27 27 SER HA H 1 3.94 0.03 . 1 . . . . . . . . 4851 1 273 . 1 1 27 27 SER HB2 H 1 3.75 0.03 . 1 . . . . . . . . 4851 1 274 . 1 1 27 27 SER HB3 H 1 3.75 0.03 . 1 . . . . . . . . 4851 1 275 . 1 1 27 27 SER CA C 13 59.49 0.50 . 1 . . . . . . . . 4851 1 276 . 1 1 27 27 SER CB C 13 64.21 0.50 . 1 . . . . . . . . 4851 1 277 . 1 1 27 27 SER N N 15 118.14 0.25 . 1 . . . . . . . . 4851 1 278 . 1 1 28 28 ILE H H 1 7.73 0.03 . 1 . . . . . . . . 4851 1 279 . 1 1 28 28 ILE HA H 1 3.70 0.03 . 1 . . . . . . . . 4851 1 280 . 1 1 28 28 ILE HB H 1 1.97 0.03 . 1 . . . . . . . . 4851 1 281 . 1 1 28 28 ILE HG12 H 1 1.42 0.03 . 1 . . . . . . . . 4851 1 282 . 1 1 28 28 ILE HG13 H 1 1.42 0.03 . 1 . . . . . . . . 4851 1 283 . 1 1 28 28 ILE HD11 H 1 0.95 0.03 . 1 . . . . . . . . 4851 1 284 . 1 1 28 28 ILE HD12 H 1 0.95 0.03 . 1 . . . . . . . . 4851 1 285 . 1 1 28 28 ILE HD13 H 1 0.95 0.03 . 1 . . . . . . . . 4851 1 286 . 1 1 28 28 ILE HG21 H 1 0.98 0.03 . 1 . . . . . . . . 4851 1 287 . 1 1 28 28 ILE HG22 H 1 0.98 0.03 . 1 . . . . . . . . 4851 1 288 . 1 1 28 28 ILE HG23 H 1 0.98 0.03 . 1 . . . . . . . . 4851 1 289 . 1 1 28 28 ILE CA C 13 62.37 0.50 . 1 . . . . . . . . 4851 1 290 . 1 1 28 28 ILE CB C 13 37.64 0.50 . 1 . . . . . . . . 4851 1 291 . 1 1 28 28 ILE CG1 C 13 29.45 0.50 . 1 . . . . . . . . 4851 1 292 . 1 1 28 28 ILE CD1 C 13 13.37 0.50 . 1 . . . . . . . . 4851 1 293 . 1 1 28 28 ILE CG2 C 13 18.86 0.50 . 1 . . . . . . . . 4851 1 294 . 1 1 28 28 ILE N N 15 121.55 0.25 . 1 . . . . . . . . 4851 1 295 . 1 1 29 29 GLY H H 1 9.02 0.03 . 1 . . . . . . . . 4851 1 296 . 1 1 29 29 GLY HA2 H 1 3.82 0.03 . 2 . . . . . . . . 4851 1 297 . 1 1 29 29 GLY HA3 H 1 3.43 0.03 . 2 . . . . . . . . 4851 1 298 . 1 1 29 29 GLY CA C 13 47.91 0.50 . 1 . . . . . . . . 4851 1 299 . 1 1 29 29 GLY N N 15 110.86 0.25 . 1 . . . . . . . . 4851 1 300 . 1 1 30 30 ASP H H 1 7.80 0.03 . 1 . . . . . . . . 4851 1 301 . 1 1 30 30 ASP HA H 1 4.36 0.03 . 1 . . . . . . . . 4851 1 302 . 1 1 30 30 ASP HB2 H 1 2.72 0.03 . 1 . . . . . . . . 4851 1 303 . 1 1 30 30 ASP HB3 H 1 2.52 0.03 . 1 . . . . . . . . 4851 1 304 . 1 1 30 30 ASP CA C 13 56.99 0.50 . 1 . . . . . . . . 4851 1 305 . 1 1 30 30 ASP CB C 13 40.76 0.50 . 1 . . . . . . . . 4851 1 306 . 1 1 30 30 ASP N N 15 120.69 0.25 . 1 . . . . . . . . 4851 1 307 . 1 1 31 31 LEU H H 1 7.77 0.03 . 1 . . . . . . . . 4851 1 308 . 1 1 31 31 LEU HA H 1 3.79 0.03 . 1 . . . . . . . . 4851 1 309 . 1 1 31 31 LEU HB2 H 1 0.38 0.03 . 1 . . . . . . . . 4851 1 310 . 1 1 31 31 LEU HB3 H 1 1.40 0.03 . 1 . . . . . . . . 4851 1 311 . 1 1 31 31 LEU HG H 1 1.01 0.03 . 1 . . . . . . . . 4851 1 312 . 1 1 31 31 LEU HD11 H 1 0.53 0.03 . 1 . . . . . . . . 4851 1 313 . 1 1 31 31 LEU HD12 H 1 0.53 0.03 . 1 . . . . . . . . 4851 1 314 . 1 1 31 31 LEU HD13 H 1 0.53 0.03 . 1 . . . . . . . . 4851 1 315 . 1 1 31 31 LEU HD21 H 1 -0.20 0.03 . 1 . . . . . . . . 4851 1 316 . 1 1 31 31 LEU HD22 H 1 -0.20 0.03 . 1 . . . . . . . . 4851 1 317 . 1 1 31 31 LEU HD23 H 1 -0.20 0.03 . 1 . . . . . . . . 4851 1 318 . 1 1 31 31 LEU CA C 13 57.56 0.50 . 1 . . . . . . . . 4851 1 319 . 1 1 31 31 LEU CB C 13 40.03 0.50 . 1 . . . . . . . . 4851 1 320 . 1 1 31 31 LEU CG C 13 26.96 0.50 . 1 . . . . . . . . 4851 1 321 . 1 1 31 31 LEU CD1 C 13 22.32 0.50 . 1 . . . . . . . . 4851 1 322 . 1 1 31 31 LEU CD2 C 13 27.10 0.50 . 1 . . . . . . . . 4851 1 323 . 1 1 31 31 LEU N N 15 123.67 0.25 . 1 . . . . . . . . 4851 1 324 . 1 1 32 32 LEU H H 1 8.75 0.03 . 1 . . . . . . . . 4851 1 325 . 1 1 32 32 LEU HA H 1 3.83 0.03 . 1 . . . . . . . . 4851 1 326 . 1 1 32 32 LEU HB2 H 1 1.93 0.03 . 1 . . . . . . . . 4851 1 327 . 1 1 32 32 LEU HB3 H 1 1.25 0.03 . 1 . . . . . . . . 4851 1 328 . 1 1 32 32 LEU HG H 1 2.09 0.03 . 1 . . . . . . . . 4851 1 329 . 1 1 32 32 LEU HD11 H 1 0.72 0.03 . 1 . . . . . . . . 4851 1 330 . 1 1 32 32 LEU HD12 H 1 0.72 0.03 . 1 . . . . . . . . 4851 1 331 . 1 1 32 32 LEU HD13 H 1 0.72 0.03 . 1 . . . . . . . . 4851 1 332 . 1 1 32 32 LEU HD21 H 1 0.76 0.03 . 1 . . . . . . . . 4851 1 333 . 1 1 32 32 LEU HD22 H 1 0.76 0.03 . 1 . . . . . . . . 4851 1 334 . 1 1 32 32 LEU HD23 H 1 0.76 0.03 . 1 . . . . . . . . 4851 1 335 . 1 1 32 32 LEU CA C 13 58.81 0.50 . 1 . . . . . . . . 4851 1 336 . 1 1 32 32 LEU CB C 13 40.04 0.50 . 1 . . . . . . . . 4851 1 337 . 1 1 32 32 LEU CG C 13 26.48 0.50 . 1 . . . . . . . . 4851 1 338 . 1 1 32 32 LEU CD1 C 13 25.51 0.50 . 1 . . . . . . . . 4851 1 339 . 1 1 32 32 LEU CD2 C 13 21.50 0.50 . 1 . . . . . . . . 4851 1 340 . 1 1 32 32 LEU N N 15 119.85 0.25 . 1 . . . . . . . . 4851 1 341 . 1 1 33 33 ARG H H 1 8.00 0.03 . 1 . . . . . . . . 4851 1 342 . 1 1 33 33 ARG HA H 1 4.85 0.03 . 1 . . . . . . . . 4851 1 343 . 1 1 33 33 ARG HB2 H 1 1.99 0.03 . 1 . . . . . . . . 4851 1 344 . 1 1 33 33 ARG HB3 H 1 1.86 0.03 . 1 . . . . . . . . 4851 1 345 . 1 1 33 33 ARG HG2 H 1 1.90 0.03 . 1 . . . . . . . . 4851 1 346 . 1 1 33 33 ARG HG3 H 1 1.90 0.03 . 1 . . . . . . . . 4851 1 347 . 1 1 33 33 ARG HD2 H 1 3.38 0.03 . 2 . . . . . . . . 4851 1 348 . 1 1 33 33 ARG HD3 H 1 3.15 0.03 . 2 . . . . . . . . 4851 1 349 . 1 1 33 33 ARG CA C 13 58.99 0.50 . 1 . . . . . . . . 4851 1 350 . 1 1 33 33 ARG CB C 13 30.70 0.50 . 1 . . . . . . . . 4851 1 351 . 1 1 33 33 ARG CG C 13 29.32 0.50 . 1 . . . . . . . . 4851 1 352 . 1 1 33 33 ARG CD C 13 43.84 0.50 . 1 . . . . . . . . 4851 1 353 . 1 1 33 33 ARG N N 15 118.53 0.25 . 1 . . . . . . . . 4851 1 354 . 1 1 34 34 ALA H H 1 8.27 0.03 . 1 . . . . . . . . 4851 1 355 . 1 1 34 34 ALA HA H 1 4.37 0.03 . 1 . . . . . . . . 4851 1 356 . 1 1 34 34 ALA HB1 H 1 1.80 0.03 . 1 . . . . . . . . 4851 1 357 . 1 1 34 34 ALA HB2 H 1 1.80 0.03 . 1 . . . . . . . . 4851 1 358 . 1 1 34 34 ALA HB3 H 1 1.80 0.03 . 1 . . . . . . . . 4851 1 359 . 1 1 34 34 ALA CA C 13 54.62 0.50 . 1 . . . . . . . . 4851 1 360 . 1 1 34 34 ALA CB C 13 17.80 0.50 . 1 . . . . . . . . 4851 1 361 . 1 1 34 34 ALA N N 15 124.95 0.25 . 1 . . . . . . . . 4851 1 362 . 1 1 35 35 CYS H H 1 7.57 0.03 . 1 . . . . . . . . 4851 1 363 . 1 1 35 35 CYS HA H 1 4.64 0.03 . 1 . . . . . . . . 4851 1 364 . 1 1 35 35 CYS HB2 H 1 3.07 0.03 . 1 . . . . . . . . 4851 1 365 . 1 1 35 35 CYS HB3 H 1 3.07 0.03 . 1 . . . . . . . . 4851 1 366 . 1 1 35 35 CYS CA C 13 60.19 0.50 . 1 . . . . . . . . 4851 1 367 . 1 1 35 35 CYS CB C 13 28.32 0.50 . 1 . . . . . . . . 4851 1 368 . 1 1 35 35 CYS N N 15 114.20 0.25 . 1 . . . . . . . . 4851 1 369 . 1 1 36 36 GLY H H 1 7.94 0.03 . 1 . . . . . . . . 4851 1 370 . 1 1 36 36 GLY HA2 H 1 4.40 0.03 . 2 . . . . . . . . 4851 1 371 . 1 1 36 36 GLY HA3 H 1 3.86 0.03 . 2 . . . . . . . . 4851 1 372 . 1 1 36 36 GLY CA C 13 45.59 0.50 . 1 . . . . . . . . 4851 1 373 . 1 1 36 36 GLY N N 15 106.16 0.25 . 1 . . . . . . . . 4851 1 374 . 1 1 37 37 GLN H H 1 7.86 0.03 . 1 . . . . . . . . 4851 1 375 . 1 1 37 37 GLN HA H 1 4.54 0.03 . 1 . . . . . . . . 4851 1 376 . 1 1 37 37 GLN HB2 H 1 1.50 0.03 . 1 . . . . . . . . 4851 1 377 . 1 1 37 37 GLN HB3 H 1 1.87 0.03 . 1 . . . . . . . . 4851 1 378 . 1 1 37 37 GLN HG2 H 1 1.95 0.03 . 1 . . . . . . . . 4851 1 379 . 1 1 37 37 GLN HG3 H 1 1.95 0.03 . 1 . . . . . . . . 4851 1 380 . 1 1 37 37 GLN CA C 13 54.74 0.50 . 1 . . . . . . . . 4851 1 381 . 1 1 37 37 GLN CB C 13 29.35 0.50 . 1 . . . . . . . . 4851 1 382 . 1 1 37 37 GLN CG C 13 34.01 0.50 . 1 . . . . . . . . 4851 1 383 . 1 1 37 37 GLN N N 15 117.72 0.25 . 1 . . . . . . . . 4851 1 384 . 1 1 38 38 ASN H H 1 8.79 0.03 . 1 . . . . . . . . 4851 1 385 . 1 1 38 38 ASN HA H 1 5.21 0.03 . 1 . . . . . . . . 4851 1 386 . 1 1 38 38 ASN HB2 H 1 2.78 0.03 . 2 . . . . . . . . 4851 1 387 . 1 1 38 38 ASN HB3 H 1 2.51 0.03 . 2 . . . . . . . . 4851 1 388 . 1 1 38 38 ASN HD21 H 1 6.77 0.03 . 2 . . . . . . . . 4851 1 389 . 1 1 38 38 ASN HD22 H 1 7.59 0.03 . 2 . . . . . . . . 4851 1 390 . 1 1 38 38 ASN CA C 13 51.23 0.50 . 1 . . . . . . . . 4851 1 391 . 1 1 38 38 ASN CB C 13 39.50 0.50 . 1 . . . . . . . . 4851 1 392 . 1 1 38 38 ASN N N 15 116.42 0.25 . 1 . . . . . . . . 4851 1 393 . 1 1 38 38 ASN ND2 N 15 112.38 0.25 . 1 . . . . . . . . 4851 1 394 . 1 1 39 39 PRO HA H 1 4.70 0.03 . 1 . . . . . . . . 4851 1 395 . 1 1 39 39 PRO HB2 H 1 2.08 0.03 . 2 . . . . . . . . 4851 1 396 . 1 1 39 39 PRO HB3 H 1 1.73 0.03 . 2 . . . . . . . . 4851 1 397 . 1 1 39 39 PRO HG2 H 1 1.90 0.03 . 1 . . . . . . . . 4851 1 398 . 1 1 39 39 PRO HG3 H 1 1.90 0.03 . 1 . . . . . . . . 4851 1 399 . 1 1 39 39 PRO HD2 H 1 3.54 0.03 . 2 . . . . . . . . 4851 1 400 . 1 1 39 39 PRO HD3 H 1 3.21 0.03 . 2 . . . . . . . . 4851 1 401 . 1 1 39 39 PRO CA C 13 62.10 0.50 . 1 . . . . . . . . 4851 1 402 . 1 1 39 39 PRO CB C 13 31.64 0.50 . 1 . . . . . . . . 4851 1 403 . 1 1 39 39 PRO CG C 13 27.19 0.50 . 1 . . . . . . . . 4851 1 404 . 1 1 39 39 PRO CD C 13 49.74 0.50 . 1 . . . . . . . . 4851 1 405 . 1 1 40 40 THR H H 1 8.79 0.03 . 1 . . . . . . . . 4851 1 406 . 1 1 40 40 THR HA H 1 4.38 0.03 . 1 . . . . . . . . 4851 1 407 . 1 1 40 40 THR HB H 1 4.73 0.03 . 1 . . . . . . . . 4851 1 408 . 1 1 40 40 THR HG21 H 1 1.38 0.03 . 1 . . . . . . . . 4851 1 409 . 1 1 40 40 THR HG22 H 1 1.38 0.03 . 1 . . . . . . . . 4851 1 410 . 1 1 40 40 THR HG23 H 1 1.38 0.03 . 1 . . . . . . . . 4851 1 411 . 1 1 40 40 THR CA C 13 60.72 0.50 . 1 . . . . . . . . 4851 1 412 . 1 1 40 40 THR CB C 13 71.06 0.50 . 1 . . . . . . . . 4851 1 413 . 1 1 40 40 THR CG2 C 13 21.71 0.50 . 1 . . . . . . . . 4851 1 414 . 1 1 40 40 THR N N 15 113.00 0.25 . 1 . . . . . . . . 4851 1 415 . 1 1 41 41 LEU H H 1 8.65 0.03 . 1 . . . . . . . . 4851 1 416 . 1 1 41 41 LEU HA H 1 4.09 0.03 . 1 . . . . . . . . 4851 1 417 . 1 1 41 41 LEU HB2 H 1 1.68 0.03 . 1 . . . . . . . . 4851 1 418 . 1 1 41 41 LEU HB3 H 1 1.68 0.03 . 1 . . . . . . . . 4851 1 419 . 1 1 41 41 LEU HG H 1 1.68 0.03 . 1 . . . . . . . . 4851 1 420 . 1 1 41 41 LEU HD11 H 1 0.94 0.03 . 1 . . . . . . . . 4851 1 421 . 1 1 41 41 LEU HD12 H 1 0.94 0.03 . 1 . . . . . . . . 4851 1 422 . 1 1 41 41 LEU HD13 H 1 0.94 0.03 . 1 . . . . . . . . 4851 1 423 . 1 1 41 41 LEU HD21 H 1 0.91 0.03 . 1 . . . . . . . . 4851 1 424 . 1 1 41 41 LEU HD22 H 1 0.91 0.03 . 1 . . . . . . . . 4851 1 425 . 1 1 41 41 LEU HD23 H 1 0.91 0.03 . 1 . . . . . . . . 4851 1 426 . 1 1 41 41 LEU CA C 13 58.26 0.50 . 1 . . . . . . . . 4851 1 427 . 1 1 41 41 LEU CB C 13 41.10 0.50 . 1 . . . . . . . . 4851 1 428 . 1 1 41 41 LEU CG C 13 27.13 0.50 . 1 . . . . . . . . 4851 1 429 . 1 1 41 41 LEU CD1 C 13 27.13 0.50 . 1 . . . . . . . . 4851 1 430 . 1 1 41 41 LEU CD2 C 13 24.03 0.50 . 1 . . . . . . . . 4851 1 431 . 1 1 41 41 LEU N N 15 121.55 0.25 . 1 . . . . . . . . 4851 1 432 . 1 1 42 42 ALA H H 1 8.43 0.03 . 1 . . . . . . . . 4851 1 433 . 1 1 42 42 ALA HA H 1 4.08 0.03 . 1 . . . . . . . . 4851 1 434 . 1 1 42 42 ALA HB1 H 1 1.41 0.03 . 1 . . . . . . . . 4851 1 435 . 1 1 42 42 ALA HB2 H 1 1.41 0.03 . 1 . . . . . . . . 4851 1 436 . 1 1 42 42 ALA HB3 H 1 1.41 0.03 . 1 . . . . . . . . 4851 1 437 . 1 1 42 42 ALA CA C 13 55.15 0.50 . 1 . . . . . . . . 4851 1 438 . 1 1 42 42 ALA CB C 13 18.19 0.50 . 1 . . . . . . . . 4851 1 439 . 1 1 42 42 ALA N N 15 121.55 0.25 . 1 . . . . . . . . 4851 1 440 . 1 1 43 43 GLU H H 1 7.80 0.03 . 1 . . . . . . . . 4851 1 441 . 1 1 43 43 GLU HA H 1 4.04 0.03 . 1 . . . . . . . . 4851 1 442 . 1 1 43 43 GLU HB2 H 1 1.96 0.03 . 1 . . . . . . . . 4851 1 443 . 1 1 43 43 GLU HB3 H 1 1.96 0.03 . 1 . . . . . . . . 4851 1 444 . 1 1 43 43 GLU HG2 H 1 2.31 0.03 . 1 . . . . . . . . 4851 1 445 . 1 1 43 43 GLU HG3 H 1 2.31 0.03 . 1 . . . . . . . . 4851 1 446 . 1 1 43 43 GLU CA C 13 59.07 0.50 . 1 . . . . . . . . 4851 1 447 . 1 1 43 43 GLU CB C 13 29.90 0.50 . 1 . . . . . . . . 4851 1 448 . 1 1 43 43 GLU CG C 13 37.30 0.50 . 1 . . . . . . . . 4851 1 449 . 1 1 43 43 GLU N N 15 120.00 0.25 . 1 . . . . . . . . 4851 1 450 . 1 1 44 44 ILE H H 1 8.45 0.03 . 1 . . . . . . . . 4851 1 451 . 1 1 44 44 ILE HA H 1 3.56 0.03 . 1 . . . . . . . . 4851 1 452 . 1 1 44 44 ILE HB H 1 1.98 0.03 . 1 . . . . . . . . 4851 1 453 . 1 1 44 44 ILE HG12 H 1 1.69 0.03 . 2 . . . . . . . . 4851 1 454 . 1 1 44 44 ILE HG13 H 1 0.93 0.03 . 2 . . . . . . . . 4851 1 455 . 1 1 44 44 ILE HD11 H 1 0.76 0.03 . 1 . . . . . . . . 4851 1 456 . 1 1 44 44 ILE HD12 H 1 0.76 0.03 . 1 . . . . . . . . 4851 1 457 . 1 1 44 44 ILE HD13 H 1 0.76 0.03 . 1 . . . . . . . . 4851 1 458 . 1 1 44 44 ILE HG21 H 1 0.92 0.03 . 1 . . . . . . . . 4851 1 459 . 1 1 44 44 ILE HG22 H 1 0.92 0.03 . 1 . . . . . . . . 4851 1 460 . 1 1 44 44 ILE HG23 H 1 0.92 0.03 . 1 . . . . . . . . 4851 1 461 . 1 1 44 44 ILE CA C 13 64.55 0.50 . 1 . . . . . . . . 4851 1 462 . 1 1 44 44 ILE CB C 13 37.36 0.50 . 1 . . . . . . . . 4851 1 463 . 1 1 44 44 ILE CG1 C 13 29.31 0.50 . 1 . . . . . . . . 4851 1 464 . 1 1 44 44 ILE CD1 C 13 13.22 0.50 . 1 . . . . . . . . 4851 1 465 . 1 1 44 44 ILE CG2 C 13 17.99 0.50 . 1 . . . . . . . . 4851 1 466 . 1 1 44 44 ILE N N 15 119.88 0.25 . 1 . . . . . . . . 4851 1 467 . 1 1 45 45 THR H H 1 8.33 0.03 . 1 . . . . . . . . 4851 1 468 . 1 1 45 45 THR HA H 1 3.92 0.03 . 1 . . . . . . . . 4851 1 469 . 1 1 45 45 THR HB H 1 4.24 0.03 . 1 . . . . . . . . 4851 1 470 . 1 1 45 45 THR HG21 H 1 1.24 0.03 . 1 . . . . . . . . 4851 1 471 . 1 1 45 45 THR HG22 H 1 1.24 0.03 . 1 . . . . . . . . 4851 1 472 . 1 1 45 45 THR HG23 H 1 1.24 0.03 . 1 . . . . . . . . 4851 1 473 . 1 1 45 45 THR CA C 13 66.79 0.50 . 1 . . . . . . . . 4851 1 474 . 1 1 45 45 THR CB C 13 68.73 0.50 . 1 . . . . . . . . 4851 1 475 . 1 1 45 45 THR CG2 C 13 21.15 0.50 . 1 . . . . . . . . 4851 1 476 . 1 1 45 45 THR N N 15 117.04 0.25 . 1 . . . . . . . . 4851 1 477 . 1 1 46 46 GLU H H 1 7.71 0.03 . 1 . . . . . . . . 4851 1 478 . 1 1 46 46 GLU HA H 1 4.05 0.03 . 1 . . . . . . . . 4851 1 479 . 1 1 46 46 GLU HB2 H 1 2.13 0.03 . 1 . . . . . . . . 4851 1 480 . 1 1 46 46 GLU HB3 H 1 2.13 0.03 . 1 . . . . . . . . 4851 1 481 . 1 1 46 46 GLU HG2 H 1 2.27 0.03 . 1 . . . . . . . . 4851 1 482 . 1 1 46 46 GLU HG3 H 1 2.27 0.03 . 1 . . . . . . . . 4851 1 483 . 1 1 46 46 GLU CA C 13 59.48 0.50 . 1 . . . . . . . . 4851 1 484 . 1 1 46 46 GLU CB C 13 29.27 0.50 . 1 . . . . . . . . 4851 1 485 . 1 1 46 46 GLU CG C 13 35.81 0.50 . 1 . . . . . . . . 4851 1 486 . 1 1 46 46 GLU N N 15 122.42 0.25 . 1 . . . . . . . . 4851 1 487 . 1 1 47 47 ILE H H 1 8.56 0.03 . 1 . . . . . . . . 4851 1 488 . 1 1 47 47 ILE HA H 1 3.64 0.03 . 1 . . . . . . . . 4851 1 489 . 1 1 47 47 ILE HB H 1 1.89 0.03 . 1 . . . . . . . . 4851 1 490 . 1 1 47 47 ILE HG12 H 1 0.99 0.03 . 1 . . . . . . . . 4851 1 491 . 1 1 47 47 ILE HG13 H 1 0.99 0.03 . 1 . . . . . . . . 4851 1 492 . 1 1 47 47 ILE HD11 H 1 0.62 0.03 . 1 . . . . . . . . 4851 1 493 . 1 1 47 47 ILE HD12 H 1 0.62 0.03 . 1 . . . . . . . . 4851 1 494 . 1 1 47 47 ILE HD13 H 1 0.62 0.03 . 1 . . . . . . . . 4851 1 495 . 1 1 47 47 ILE HG21 H 1 0.87 0.03 . 1 . . . . . . . . 4851 1 496 . 1 1 47 47 ILE HG22 H 1 0.87 0.03 . 1 . . . . . . . . 4851 1 497 . 1 1 47 47 ILE HG23 H 1 0.87 0.03 . 1 . . . . . . . . 4851 1 498 . 1 1 47 47 ILE CA C 13 65.48 0.50 . 1 . . . . . . . . 4851 1 499 . 1 1 47 47 ILE CB C 13 38.78 0.50 . 1 . . . . . . . . 4851 1 500 . 1 1 47 47 ILE CG1 C 13 29.17 0.50 . 1 . . . . . . . . 4851 1 501 . 1 1 47 47 ILE CD1 C 13 13.38 0.50 . 1 . . . . . . . . 4851 1 502 . 1 1 47 47 ILE CG2 C 13 18.04 0.50 . 1 . . . . . . . . 4851 1 503 . 1 1 47 47 ILE N N 15 122.02 0.25 . 1 . . . . . . . . 4851 1 504 . 1 1 48 48 GLU H H 1 9.08 0.03 . 1 . . . . . . . . 4851 1 505 . 1 1 48 48 GLU HA H 1 3.68 0.03 . 1 . . . . . . . . 4851 1 506 . 1 1 48 48 GLU HB2 H 1 1.98 0.03 . 1 . . . . . . . . 4851 1 507 . 1 1 48 48 GLU HB3 H 1 1.98 0.03 . 1 . . . . . . . . 4851 1 508 . 1 1 48 48 GLU HG2 H 1 2.19 0.03 . 2 . . . . . . . . 4851 1 509 . 1 1 48 48 GLU HG3 H 1 2.48 0.03 . 2 . . . . . . . . 4851 1 510 . 1 1 48 48 GLU CA C 13 60.66 0.50 . 1 . . . . . . . . 4851 1 511 . 1 1 48 48 GLU CB C 13 30.14 0.50 . 1 . . . . . . . . 4851 1 512 . 1 1 48 48 GLU CG C 13 37.36 0.50 . 1 . . . . . . . . 4851 1 513 . 1 1 48 48 GLU N N 15 118.99 0.25 . 1 . . . . . . . . 4851 1 514 . 1 1 49 49 SER H H 1 7.73 0.03 . 1 . . . . . . . . 4851 1 515 . 1 1 49 49 SER HA H 1 4.32 0.03 . 1 . . . . . . . . 4851 1 516 . 1 1 49 49 SER HB2 H 1 4.07 0.03 . 1 . . . . . . . . 4851 1 517 . 1 1 49 49 SER HB3 H 1 4.07 0.03 . 1 . . . . . . . . 4851 1 518 . 1 1 49 49 SER CA C 13 61.37 0.50 . 1 . . . . . . . . 4851 1 519 . 1 1 49 49 SER CB C 13 63.19 0.50 . 1 . . . . . . . . 4851 1 520 . 1 1 49 49 SER N N 15 113.00 0.25 . 1 . . . . . . . . 4851 1 521 . 1 1 50 50 THR H H 1 7.52 0.03 . 1 . . . . . . . . 4851 1 522 . 1 1 50 50 THR HA H 1 4.45 0.03 . 1 . . . . . . . . 4851 1 523 . 1 1 50 50 THR HB H 1 4.45 0.03 . 1 . . . . . . . . 4851 1 524 . 1 1 50 50 THR HG21 H 1 1.28 0.03 . 1 . . . . . . . . 4851 1 525 . 1 1 50 50 THR HG22 H 1 1.28 0.03 . 1 . . . . . . . . 4851 1 526 . 1 1 50 50 THR HG23 H 1 1.28 0.03 . 1 . . . . . . . . 4851 1 527 . 1 1 50 50 THR CA C 13 61.64 0.50 . 1 . . . . . . . . 4851 1 528 . 1 1 50 50 THR CB C 13 70.06 0.50 . 1 . . . . . . . . 4851 1 529 . 1 1 50 50 THR CG2 C 13 21.45 0.50 . 1 . . . . . . . . 4851 1 530 . 1 1 50 50 THR N N 15 110.43 0.25 . 1 . . . . . . . . 4851 1 531 . 1 1 51 51 LEU H H 1 7.24 0.03 . 1 . . . . . . . . 4851 1 532 . 1 1 51 51 LEU HA H 1 4.78 0.03 . 1 . . . . . . . . 4851 1 533 . 1 1 51 51 LEU HB2 H 1 1.72 0.03 . 1 . . . . . . . . 4851 1 534 . 1 1 51 51 LEU HB3 H 1 1.56 0.03 . 1 . . . . . . . . 4851 1 535 . 1 1 51 51 LEU HG H 1 1.83 0.03 . 1 . . . . . . . . 4851 1 536 . 1 1 51 51 LEU HD11 H 1 0.50 0.03 . 1 . . . . . . . . 4851 1 537 . 1 1 51 51 LEU HD12 H 1 0.50 0.03 . 1 . . . . . . . . 4851 1 538 . 1 1 51 51 LEU HD13 H 1 0.50 0.03 . 1 . . . . . . . . 4851 1 539 . 1 1 51 51 LEU HD21 H 1 0.83 0.03 . 1 . . . . . . . . 4851 1 540 . 1 1 51 51 LEU HD22 H 1 0.83 0.03 . 1 . . . . . . . . 4851 1 541 . 1 1 51 51 LEU HD23 H 1 0.83 0.03 . 1 . . . . . . . . 4851 1 542 . 1 1 51 51 LEU CA C 13 52.63 0.50 . 1 . . . . . . . . 4851 1 543 . 1 1 51 51 LEU CB C 13 43.11 0.50 . 1 . . . . . . . . 4851 1 544 . 1 1 51 51 LEU CG C 13 27.20 0.50 . 1 . . . . . . . . 4851 1 545 . 1 1 51 51 LEU CD1 C 13 20.65 0.50 . 1 . . . . . . . . 4851 1 546 . 1 1 51 51 LEU CD2 C 13 21.41 0.50 . 1 . . . . . . . . 4851 1 547 . 1 1 51 51 LEU N N 15 123.20 0.25 . 1 . . . . . . . . 4851 1 548 . 1 1 52 52 PRO HA H 1 4.69 0.03 . 1 . . . . . . . . 4851 1 549 . 1 1 52 52 PRO HB2 H 1 2.93 0.03 . 2 . . . . . . . . 4851 1 550 . 1 1 52 52 PRO HB3 H 1 2.32 0.03 . 2 . . . . . . . . 4851 1 551 . 1 1 52 52 PRO HG2 H 1 2.18 0.03 . 1 . . . . . . . . 4851 1 552 . 1 1 52 52 PRO HG3 H 1 2.18 0.03 . 1 . . . . . . . . 4851 1 553 . 1 1 52 52 PRO HD2 H 1 3.85 0.03 . 2 . . . . . . . . 4851 1 554 . 1 1 52 52 PRO HD3 H 1 3.40 0.03 . 2 . . . . . . . . 4851 1 555 . 1 1 52 52 PRO CA C 13 61.78 0.50 . 1 . . . . . . . . 4851 1 556 . 1 1 52 52 PRO CB C 13 31.78 0.50 . 1 . . . . . . . . 4851 1 557 . 1 1 52 52 PRO CG C 13 26.43 0.50 . 1 . . . . . . . . 4851 1 558 . 1 1 52 52 PRO CD C 13 49.96 0.50 . 1 . . . . . . . . 4851 1 559 . 1 1 53 53 ALA H H 1 8.09 0.03 . 1 . . . . . . . . 4851 1 560 . 1 1 53 53 ALA HA H 1 3.84 0.03 . 1 . . . . . . . . 4851 1 561 . 1 1 53 53 ALA HB1 H 1 1.51 0.03 . 1 . . . . . . . . 4851 1 562 . 1 1 53 53 ALA HB2 H 1 1.51 0.03 . 1 . . . . . . . . 4851 1 563 . 1 1 53 53 ALA HB3 H 1 1.51 0.03 . 1 . . . . . . . . 4851 1 564 . 1 1 53 53 ALA CA C 13 55.89 0.50 . 1 . . . . . . . . 4851 1 565 . 1 1 53 53 ALA CB C 13 19.03 0.50 . 1 . . . . . . . . 4851 1 566 . 1 1 53 53 ALA N N 15 116.50 0.25 . 1 . . . . . . . . 4851 1 567 . 1 1 54 54 GLU H H 1 7.69 0.03 . 1 . . . . . . . . 4851 1 568 . 1 1 54 54 GLU HA H 1 4.99 0.03 . 1 . . . . . . . . 4851 1 569 . 1 1 54 54 GLU HB2 H 1 1.83 0.03 . 2 . . . . . . . . 4851 1 570 . 1 1 54 54 GLU HB3 H 1 1.72 0.03 . 2 . . . . . . . . 4851 1 571 . 1 1 54 54 GLU HG2 H 1 2.02 0.03 . 2 . . . . . . . . 4851 1 572 . 1 1 54 54 GLU HG3 H 1 2.15 0.03 . 2 . . . . . . . . 4851 1 573 . 1 1 54 54 GLU CA C 13 54.36 0.50 . 1 . . . . . . . . 4851 1 574 . 1 1 54 54 GLU CB C 13 33.01 0.50 . 1 . . . . . . . . 4851 1 575 . 1 1 54 54 GLU CG C 13 36.29 0.50 . 1 . . . . . . . . 4851 1 576 . 1 1 54 54 GLU N N 15 113.85 0.25 . 1 . . . . . . . . 4851 1 577 . 1 1 55 55 VAL H H 1 9.45 0.03 . 1 . . . . . . . . 4851 1 578 . 1 1 55 55 VAL HA H 1 4.46 0.03 . 1 . . . . . . . . 4851 1 579 . 1 1 55 55 VAL HB H 1 2.09 0.03 . 1 . . . . . . . . 4851 1 580 . 1 1 55 55 VAL HG11 H 1 1.13 0.03 . 1 . . . . . . . . 4851 1 581 . 1 1 55 55 VAL HG12 H 1 1.13 0.03 . 1 . . . . . . . . 4851 1 582 . 1 1 55 55 VAL HG13 H 1 1.13 0.03 . 1 . . . . . . . . 4851 1 583 . 1 1 55 55 VAL HG21 H 1 0.93 0.03 . 1 . . . . . . . . 4851 1 584 . 1 1 55 55 VAL HG22 H 1 0.93 0.03 . 1 . . . . . . . . 4851 1 585 . 1 1 55 55 VAL HG23 H 1 0.93 0.03 . 1 . . . . . . . . 4851 1 586 . 1 1 55 55 VAL CA C 13 61.20 0.50 . 1 . . . . . . . . 4851 1 587 . 1 1 55 55 VAL CB C 13 34.73 0.50 . 1 . . . . . . . . 4851 1 588 . 1 1 55 55 VAL CG1 C 13 21.63 0.50 . 1 . . . . . . . . 4851 1 589 . 1 1 55 55 VAL CG2 C 13 22.14 0.50 . 1 . . . . . . . . 4851 1 590 . 1 1 55 55 VAL N N 15 121.98 0.25 . 1 . . . . . . . . 4851 1 591 . 1 1 56 56 ASP H H 1 8.58 0.03 . 1 . . . . . . . . 4851 1 592 . 1 1 56 56 ASP HA H 1 5.47 0.03 . 1 . . . . . . . . 4851 1 593 . 1 1 56 56 ASP HB2 H 1 3.32 0.03 . 1 . . . . . . . . 4851 1 594 . 1 1 56 56 ASP HB3 H 1 2.63 0.03 . 1 . . . . . . . . 4851 1 595 . 1 1 56 56 ASP CA C 13 52.02 0.50 . 1 . . . . . . . . 4851 1 596 . 1 1 56 56 ASP CB C 13 42.06 0.50 . 1 . . . . . . . . 4851 1 597 . 1 1 56 56 ASP N N 15 124.97 0.25 . 1 . . . . . . . . 4851 1 598 . 1 1 57 57 MET H H 1 8.36 0.03 . 1 . . . . . . . . 4851 1 599 . 1 1 57 57 MET HA H 1 3.56 0.03 . 1 . . . . . . . . 4851 1 600 . 1 1 57 57 MET HB2 H 1 2.23 0.03 . 2 . . . . . . . . 4851 1 601 . 1 1 57 57 MET HB3 H 1 2.09 0.03 . 2 . . . . . . . . 4851 1 602 . 1 1 57 57 MET HG2 H 1 1.80 0.03 . 2 . . . . . . . . 4851 1 603 . 1 1 57 57 MET HG3 H 1 1.40 0.03 . 2 . . . . . . . . 4851 1 604 . 1 1 57 57 MET CA C 13 58.44 0.50 . 1 . . . . . . . . 4851 1 605 . 1 1 57 57 MET CB C 13 31.67 0.50 . 1 . . . . . . . . 4851 1 606 . 1 1 57 57 MET CG C 13 31.76 0.50 . 1 . . . . . . . . 4851 1 607 . 1 1 57 57 MET N N 15 118.13 0.25 . 1 . . . . . . . . 4851 1 608 . 1 1 58 58 GLU H H 1 7.98 0.03 . 1 . . . . . . . . 4851 1 609 . 1 1 58 58 GLU HA H 1 3.87 0.03 . 1 . . . . . . . . 4851 1 610 . 1 1 58 58 GLU HB2 H 1 2.06 0.03 . 1 . . . . . . . . 4851 1 611 . 1 1 58 58 GLU HB3 H 1 2.06 0.03 . 1 . . . . . . . . 4851 1 612 . 1 1 58 58 GLU HG2 H 1 2.25 0.03 . 1 . . . . . . . . 4851 1 613 . 1 1 58 58 GLU HG3 H 1 2.25 0.03 . 1 . . . . . . . . 4851 1 614 . 1 1 58 58 GLU CA C 13 59.91 0.50 . 1 . . . . . . . . 4851 1 615 . 1 1 58 58 GLU CB C 13 29.06 0.50 . 1 . . . . . . . . 4851 1 616 . 1 1 58 58 GLU CG C 13 36.68 0.50 . 1 . . . . . . . . 4851 1 617 . 1 1 58 58 GLU N N 15 118.18 0.25 . 1 . . . . . . . . 4851 1 618 . 1 1 59 59 GLN H H 1 8.71 0.03 . 1 . . . . . . . . 4851 1 619 . 1 1 59 59 GLN HA H 1 4.04 0.03 . 1 . . . . . . . . 4851 1 620 . 1 1 59 59 GLN HB2 H 1 2.38 0.03 . 1 . . . . . . . . 4851 1 621 . 1 1 59 59 GLN HB3 H 1 1.92 0.03 . 1 . . . . . . . . 4851 1 622 . 1 1 59 59 GLN HG2 H 1 2.64 0.03 . 2 . . . . . . . . 4851 1 623 . 1 1 59 59 GLN HG3 H 1 2.38 0.03 . 2 . . . . . . . . 4851 1 624 . 1 1 59 59 GLN HE21 H 1 7.41 0.03 . 2 . . . . . . . . 4851 1 625 . 1 1 59 59 GLN HE22 H 1 6.54 0.03 . 2 . . . . . . . . 4851 1 626 . 1 1 59 59 GLN CA C 13 58.68 0.50 . 1 . . . . . . . . 4851 1 627 . 1 1 59 59 GLN CB C 13 28.99 0.50 . 1 . . . . . . . . 4851 1 628 . 1 1 59 59 GLN CG C 13 34.76 0.50 . 1 . . . . . . . . 4851 1 629 . 1 1 59 59 GLN N N 15 120.26 0.25 . 1 . . . . . . . . 4851 1 630 . 1 1 59 59 GLN NE2 N 15 109.90 0.25 . 1 . . . . . . . . 4851 1 631 . 1 1 60 60 PHE H H 1 8.63 0.03 . 1 . . . . . . . . 4851 1 632 . 1 1 60 60 PHE HA H 1 4.24 0.03 . 1 . . . . . . . . 4851 1 633 . 1 1 60 60 PHE HB2 H 1 3.37 0.03 . 1 . . . . . . . . 4851 1 634 . 1 1 60 60 PHE HB3 H 1 3.20 0.03 . 1 . . . . . . . . 4851 1 635 . 1 1 60 60 PHE HD1 H 1 7.15 0.03 . 1 . . . . . . . . 4851 1 636 . 1 1 60 60 PHE HD2 H 1 7.15 0.03 . 1 . . . . . . . . 4851 1 637 . 1 1 60 60 PHE CA C 13 60.19 0.50 . 1 . . . . . . . . 4851 1 638 . 1 1 60 60 PHE CB C 13 38.25 0.50 . 1 . . . . . . . . 4851 1 639 . 1 1 60 60 PHE CD1 C 13 132.64 0.50 . 1 . . . . . . . . 4851 1 640 . 1 1 60 60 PHE CD2 C 13 132.64 0.50 . 1 . . . . . . . . 4851 1 641 . 1 1 60 60 PHE N N 15 120.69 0.25 . 1 . . . . . . . . 4851 1 642 . 1 1 61 61 LEU H H 1 8.57 0.03 . 1 . . . . . . . . 4851 1 643 . 1 1 61 61 LEU HA H 1 3.26 0.03 . 1 . . . . . . . . 4851 1 644 . 1 1 61 61 LEU HB2 H 1 1.79 0.03 . 1 . . . . . . . . 4851 1 645 . 1 1 61 61 LEU HB3 H 1 1.21 0.03 . 1 . . . . . . . . 4851 1 646 . 1 1 61 61 LEU HG H 1 1.75 0.03 . 1 . . . . . . . . 4851 1 647 . 1 1 61 61 LEU HD11 H 1 0.82 0.03 . 1 . . . . . . . . 4851 1 648 . 1 1 61 61 LEU HD12 H 1 0.82 0.03 . 1 . . . . . . . . 4851 1 649 . 1 1 61 61 LEU HD13 H 1 0.82 0.03 . 1 . . . . . . . . 4851 1 650 . 1 1 61 61 LEU HD21 H 1 0.59 0.03 . 1 . . . . . . . . 4851 1 651 . 1 1 61 61 LEU HD22 H 1 0.59 0.03 . 1 . . . . . . . . 4851 1 652 . 1 1 61 61 LEU HD23 H 1 0.59 0.03 . 1 . . . . . . . . 4851 1 653 . 1 1 61 61 LEU CA C 13 57.77 0.50 . 1 . . . . . . . . 4851 1 654 . 1 1 61 61 LEU CB C 13 40.83 0.50 . 1 . . . . . . . . 4851 1 655 . 1 1 61 61 LEU CG C 13 26.61 0.50 . 1 . . . . . . . . 4851 1 656 . 1 1 61 61 LEU CD1 C 13 25.51 0.50 . 1 . . . . . . . . 4851 1 657 . 1 1 61 61 LEU CD2 C 13 22.53 0.50 . 1 . . . . . . . . 4851 1 658 . 1 1 61 61 LEU N N 15 120.70 0.25 . 1 . . . . . . . . 4851 1 659 . 1 1 62 62 GLN H H 1 7.52 0.03 . 1 . . . . . . . . 4851 1 660 . 1 1 62 62 GLN HA H 1 3.95 0.03 . 1 . . . . . . . . 4851 1 661 . 1 1 62 62 GLN HB2 H 1 2.17 0.03 . 1 . . . . . . . . 4851 1 662 . 1 1 62 62 GLN HB3 H 1 2.17 0.03 . 1 . . . . . . . . 4851 1 663 . 1 1 62 62 GLN HG2 H 1 2.51 0.03 . 2 . . . . . . . . 4851 1 664 . 1 1 62 62 GLN HG3 H 1 2.38 0.03 . 2 . . . . . . . . 4851 1 665 . 1 1 62 62 GLN HE21 H 1 6.81 0.03 . 2 . . . . . . . . 4851 1 666 . 1 1 62 62 GLN HE22 H 1 7.45 0.03 . 2 . . . . . . . . 4851 1 667 . 1 1 62 62 GLN CA C 13 58.75 0.50 . 1 . . . . . . . . 4851 1 668 . 1 1 62 62 GLN CB C 13 28.27 0.50 . 1 . . . . . . . . 4851 1 669 . 1 1 62 62 GLN CG C 13 33.99 0.50 . 1 . . . . . . . . 4851 1 670 . 1 1 62 62 GLN N N 15 117.61 0.25 . 1 . . . . . . . . 4851 1 671 . 1 1 62 62 GLN NE2 N 15 111.21 0.25 . 1 . . . . . . . . 4851 1 672 . 1 1 63 63 VAL H H 1 7.48 0.03 . 1 . . . . . . . . 4851 1 673 . 1 1 63 63 VAL HA H 1 3.78 0.03 . 1 . . . . . . . . 4851 1 674 . 1 1 63 63 VAL HB H 1 2.31 0.03 . 1 . . . . . . . . 4851 1 675 . 1 1 63 63 VAL HG11 H 1 1.12 0.03 . 1 . . . . . . . . 4851 1 676 . 1 1 63 63 VAL HG12 H 1 1.12 0.03 . 1 . . . . . . . . 4851 1 677 . 1 1 63 63 VAL HG13 H 1 1.12 0.03 . 1 . . . . . . . . 4851 1 678 . 1 1 63 63 VAL HG21 H 1 0.97 0.03 . 1 . . . . . . . . 4851 1 679 . 1 1 63 63 VAL HG22 H 1 0.97 0.03 . 1 . . . . . . . . 4851 1 680 . 1 1 63 63 VAL HG23 H 1 0.97 0.03 . 1 . . . . . . . . 4851 1 681 . 1 1 63 63 VAL CA C 13 65.13 0.50 . 1 . . . . . . . . 4851 1 682 . 1 1 63 63 VAL CB C 13 31.87 0.50 . 1 . . . . . . . . 4851 1 683 . 1 1 63 63 VAL CG1 C 13 22.65 0.50 . 1 . . . . . . . . 4851 1 684 . 1 1 63 63 VAL CG2 C 13 22.65 0.50 . 1 . . . . . . . . 4851 1 685 . 1 1 63 63 VAL N N 15 118.99 0.25 . 1 . . . . . . . . 4851 1 686 . 1 1 64 64 LEU H H 1 8.49 0.03 . 1 . . . . . . . . 4851 1 687 . 1 1 64 64 LEU HA H 1 3.41 0.03 . 1 . . . . . . . . 4851 1 688 . 1 1 64 64 LEU HB2 H 1 0.78 0.03 . 1 . . . . . . . . 4851 1 689 . 1 1 64 64 LEU HB3 H 1 1.32 0.03 . 1 . . . . . . . . 4851 1 690 . 1 1 64 64 LEU HG H 1 1.10 0.03 . 1 . . . . . . . . 4851 1 691 . 1 1 64 64 LEU HD11 H 1 0.48 0.03 . 1 . . . . . . . . 4851 1 692 . 1 1 64 64 LEU HD12 H 1 0.48 0.03 . 1 . . . . . . . . 4851 1 693 . 1 1 64 64 LEU HD13 H 1 0.48 0.03 . 1 . . . . . . . . 4851 1 694 . 1 1 64 64 LEU HD21 H 1 0.27 0.03 . 1 . . . . . . . . 4851 1 695 . 1 1 64 64 LEU HD22 H 1 0.27 0.03 . 1 . . . . . . . . 4851 1 696 . 1 1 64 64 LEU HD23 H 1 0.27 0.03 . 1 . . . . . . . . 4851 1 697 . 1 1 64 64 LEU CA C 13 58.14 0.50 . 1 . . . . . . . . 4851 1 698 . 1 1 64 64 LEU CB C 13 41.96 0.50 . 1 . . . . . . . . 4851 1 699 . 1 1 64 64 LEU CG C 13 25.70 0.50 . 1 . . . . . . . . 4851 1 700 . 1 1 64 64 LEU CD1 C 13 23.66 0.50 . 1 . . . . . . . . 4851 1 701 . 1 1 64 64 LEU CD2 C 13 25.69 0.50 . 1 . . . . . . . . 4851 1 702 . 1 1 64 64 LEU N N 15 123.26 0.25 . 1 . . . . . . . . 4851 1 703 . 1 1 65 65 ASN H H 1 7.48 0.03 . 1 . . . . . . . . 4851 1 704 . 1 1 65 65 ASN HA H 1 4.69 0.03 . 1 . . . . . . . . 4851 1 705 . 1 1 65 65 ASN HB2 H 1 2.58 0.03 . 1 . . . . . . . . 4851 1 706 . 1 1 65 65 ASN HB3 H 1 2.99 0.03 . 1 . . . . . . . . 4851 1 707 . 1 1 65 65 ASN HD21 H 1 6.83 0.03 . 2 . . . . . . . . 4851 1 708 . 1 1 65 65 ASN HD22 H 1 7.30 0.03 . 2 . . . . . . . . 4851 1 709 . 1 1 65 65 ASN CA C 13 53.29 0.50 . 1 . . . . . . . . 4851 1 710 . 1 1 65 65 ASN CB C 13 38.60 0.50 . 1 . . . . . . . . 4851 1 711 . 1 1 65 65 ASN N N 15 112.57 0.25 . 1 . . . . . . . . 4851 1 712 . 1 1 65 65 ASN ND2 N 15 112.30 0.25 . 1 . . . . . . . . 4851 1 713 . 1 1 66 66 ARG H H 1 7.22 0.03 . 1 . . . . . . . . 4851 1 714 . 1 1 66 66 ARG HA H 1 4.36 0.03 . 1 . . . . . . . . 4851 1 715 . 1 1 66 66 ARG HB2 H 1 1.80 0.03 . 1 . . . . . . . . 4851 1 716 . 1 1 66 66 ARG HB3 H 1 1.80 0.03 . 1 . . . . . . . . 4851 1 717 . 1 1 66 66 ARG CA C 13 54.50 0.50 . 1 . . . . . . . . 4851 1 718 . 1 1 66 66 ARG CB C 13 27.17 0.50 . 1 . . . . . . . . 4851 1 719 . 1 1 66 66 ARG N N 15 121.14 0.25 . 1 . . . . . . . . 4851 1 720 . 1 1 67 67 PRO HA H 1 4.36 0.03 . 1 . . . . . . . . 4851 1 721 . 1 1 67 67 PRO HB2 H 1 2.28 0.03 . 2 . . . . . . . . 4851 1 722 . 1 1 67 67 PRO HB3 H 1 2.04 0.03 . 2 . . . . . . . . 4851 1 723 . 1 1 67 67 PRO HG2 H 1 2.05 0.03 . 1 . . . . . . . . 4851 1 724 . 1 1 67 67 PRO HG3 H 1 2.05 0.03 . 1 . . . . . . . . 4851 1 725 . 1 1 67 67 PRO HD2 H 1 3.91 0.03 . 1 . . . . . . . . 4851 1 726 . 1 1 67 67 PRO HD3 H 1 3.91 0.03 . 1 . . . . . . . . 4851 1 727 . 1 1 67 67 PRO CA C 13 63.98 0.50 . 1 . . . . . . . . 4851 1 728 . 1 1 67 67 PRO CB C 13 31.54 0.50 . 1 . . . . . . . . 4851 1 729 . 1 1 67 67 PRO CG C 13 27.72 0.50 . 1 . . . . . . . . 4851 1 730 . 1 1 67 67 PRO CD C 13 50.90 0.50 . 1 . . . . . . . . 4851 1 731 . 1 1 68 68 ASN H H 1 8.80 0.03 . 1 . . . . . . . . 4851 1 732 . 1 1 68 68 ASN HA H 1 4.58 0.03 . 1 . . . . . . . . 4851 1 733 . 1 1 68 68 ASN HB2 H 1 2.93 0.03 . 2 . . . . . . . . 4851 1 734 . 1 1 68 68 ASN HB3 H 1 2.89 0.03 . 2 . . . . . . . . 4851 1 735 . 1 1 68 68 ASN HD21 H 1 6.87 0.03 . 2 . . . . . . . . 4851 1 736 . 1 1 68 68 ASN HD22 H 1 7.68 0.03 . 2 . . . . . . . . 4851 1 737 . 1 1 68 68 ASN CA C 13 54.16 0.50 . 1 . . . . . . . . 4851 1 738 . 1 1 68 68 ASN CB C 13 38.20 0.50 . 1 . . . . . . . . 4851 1 739 . 1 1 68 68 ASN N N 15 116.83 0.25 . 1 . . . . . . . . 4851 1 740 . 1 1 68 68 ASN ND2 N 15 112.34 0.25 . 1 . . . . . . . . 4851 1 741 . 1 1 69 69 GLY H H 1 8.09 0.03 . 1 . . . . . . . . 4851 1 742 . 1 1 69 69 GLY HA2 H 1 3.62 0.03 . 1 . . . . . . . . 4851 1 743 . 1 1 69 69 GLY HA3 H 1 3.62 0.03 . 1 . . . . . . . . 4851 1 744 . 1 1 69 69 GLY CA C 13 46.23 0.50 . 1 . . . . . . . . 4851 1 745 . 1 1 69 69 GLY N N 15 108.29 0.25 . 1 . . . . . . . . 4851 1 746 . 1 1 70 70 PHE H H 1 8.23 0.03 . 1 . . . . . . . . 4851 1 747 . 1 1 70 70 PHE HA H 1 4.64 0.03 . 1 . . . . . . . . 4851 1 748 . 1 1 70 70 PHE HB2 H 1 2.92 0.03 . 1 . . . . . . . . 4851 1 749 . 1 1 70 70 PHE HB3 H 1 3.28 0.03 . 1 . . . . . . . . 4851 1 750 . 1 1 70 70 PHE HD1 H 1 7.35 0.03 . 1 . . . . . . . . 4851 1 751 . 1 1 70 70 PHE HD2 H 1 7.35 0.03 . 1 . . . . . . . . 4851 1 752 . 1 1 70 70 PHE CA C 13 57.91 0.50 . 1 . . . . . . . . 4851 1 753 . 1 1 70 70 PHE CB C 13 39.67 0.50 . 1 . . . . . . . . 4851 1 754 . 1 1 70 70 PHE CD1 C 13 132.07 0.50 . 1 . . . . . . . . 4851 1 755 . 1 1 70 70 PHE CD2 C 13 132.07 0.50 . 1 . . . . . . . . 4851 1 756 . 1 1 70 70 PHE N N 15 117.72 0.25 . 1 . . . . . . . . 4851 1 757 . 1 1 71 71 ASP H H 1 8.16 0.03 . 1 . . . . . . . . 4851 1 758 . 1 1 71 71 ASP HA H 1 4.58 0.03 . 1 . . . . . . . . 4851 1 759 . 1 1 71 71 ASP HB2 H 1 2.64 0.03 . 2 . . . . . . . . 4851 1 760 . 1 1 71 71 ASP HB3 H 1 2.75 0.03 . 2 . . . . . . . . 4851 1 761 . 1 1 71 71 ASP CA C 13 54.44 0.50 . 1 . . . . . . . . 4851 1 762 . 1 1 71 71 ASP CB C 13 41.15 0.50 . 1 . . . . . . . . 4851 1 763 . 1 1 71 71 ASP N N 15 121.96 0.25 . 1 . . . . . . . . 4851 1 764 . 1 1 72 72 MET H H 1 8.37 0.03 . 1 . . . . . . . . 4851 1 765 . 1 1 72 72 MET HA H 1 4.81 0.03 . 1 . . . . . . . . 4851 1 766 . 1 1 72 72 MET HB2 H 1 1.99 0.03 . 2 . . . . . . . . 4851 1 767 . 1 1 72 72 MET HB3 H 1 2.07 0.03 . 2 . . . . . . . . 4851 1 768 . 1 1 72 72 MET HG2 H 1 2.64 0.03 . 2 . . . . . . . . 4851 1 769 . 1 1 72 72 MET HG3 H 1 2.59 0.03 . 2 . . . . . . . . 4851 1 770 . 1 1 72 72 MET CA C 13 53.05 0.50 . 1 . . . . . . . . 4851 1 771 . 1 1 72 72 MET CB C 13 32.82 0.50 . 1 . . . . . . . . 4851 1 772 . 1 1 72 72 MET CG C 13 31.87 0.50 . 1 . . . . . . . . 4851 1 773 . 1 1 72 72 MET N N 15 121.66 0.25 . 1 . . . . . . . . 4851 1 774 . 1 1 73 73 PRO HA H 1 4.48 0.03 . 1 . . . . . . . . 4851 1 775 . 1 1 73 73 PRO HB2 H 1 2.29 0.03 . 2 . . . . . . . . 4851 1 776 . 1 1 73 73 PRO HB3 H 1 1.98 0.03 . 2 . . . . . . . . 4851 1 777 . 1 1 73 73 PRO HG2 H 1 2.00 0.03 . 1 . . . . . . . . 4851 1 778 . 1 1 73 73 PRO HG3 H 1 2.00 0.03 . 1 . . . . . . . . 4851 1 779 . 1 1 73 73 PRO HD2 H 1 3.84 0.03 . 2 . . . . . . . . 4851 1 780 . 1 1 73 73 PRO HD3 H 1 3.69 0.03 . 2 . . . . . . . . 4851 1 781 . 1 1 73 73 PRO CA C 13 63.14 0.50 . 1 . . . . . . . . 4851 1 782 . 1 1 73 73 PRO CB C 13 32.20 0.50 . 1 . . . . . . . . 4851 1 783 . 1 1 73 73 PRO CG C 13 27.36 0.50 . 1 . . . . . . . . 4851 1 784 . 1 1 73 73 PRO CD C 13 50.73 0.50 . 1 . . . . . . . . 4851 1 785 . 1 1 74 74 GLY H H 1 8.35 0.03 . 1 . . . . . . . . 4851 1 786 . 1 1 74 74 GLY HA2 H 1 4.02 0.03 . 2 . . . . . . . . 4851 1 787 . 1 1 74 74 GLY HA3 H 1 3.85 0.03 . 2 . . . . . . . . 4851 1 788 . 1 1 74 74 GLY CA C 13 44.97 0.50 . 1 . . . . . . . . 4851 1 789 . 1 1 74 74 GLY N N 15 108.41 0.25 . 1 . . . . . . . . 4851 1 790 . 1 1 75 75 ASP H H 1 8.26 0.03 . 1 . . . . . . . . 4851 1 791 . 1 1 75 75 ASP HA H 1 4.95 0.03 . 1 . . . . . . . . 4851 1 792 . 1 1 75 75 ASP HB2 H 1 2.80 0.03 . 1 . . . . . . . . 4851 1 793 . 1 1 75 75 ASP HB3 H 1 2.62 0.03 . 1 . . . . . . . . 4851 1 794 . 1 1 75 75 ASP CA C 13 51.97 0.50 . 1 . . . . . . . . 4851 1 795 . 1 1 75 75 ASP CB C 13 41.62 0.50 . 1 . . . . . . . . 4851 1 796 . 1 1 75 75 ASP N N 15 121.55 0.25 . 1 . . . . . . . . 4851 1 797 . 1 1 76 76 PRO HA H 1 4.32 0.03 . 1 . . . . . . . . 4851 1 798 . 1 1 76 76 PRO HB2 H 1 2.29 0.03 . 2 . . . . . . . . 4851 1 799 . 1 1 76 76 PRO HB3 H 1 2.05 0.03 . 2 . . . . . . . . 4851 1 800 . 1 1 76 76 PRO HG2 H 1 2.11 0.03 . 1 . . . . . . . . 4851 1 801 . 1 1 76 76 PRO HG3 H 1 2.11 0.03 . 1 . . . . . . . . 4851 1 802 . 1 1 76 76 PRO HD2 H 1 3.92 0.03 . 1 . . . . . . . . 4851 1 803 . 1 1 76 76 PRO HD3 H 1 3.92 0.03 . 1 . . . . . . . . 4851 1 804 . 1 1 76 76 PRO CA C 13 64.52 0.50 . 1 . . . . . . . . 4851 1 805 . 1 1 76 76 PRO CB C 13 32.23 0.50 . 1 . . . . . . . . 4851 1 806 . 1 1 76 76 PRO CG C 13 27.44 0.50 . 1 . . . . . . . . 4851 1 807 . 1 1 76 76 PRO CD C 13 50.93 0.50 . 1 . . . . . . . . 4851 1 808 . 1 1 77 77 GLU H H 1 8.46 0.03 . 1 . . . . . . . . 4851 1 809 . 1 1 77 77 GLU HA H 1 4.17 0.03 . 1 . . . . . . . . 4851 1 810 . 1 1 77 77 GLU HB2 H 1 2.06 0.03 . 1 . . . . . . . . 4851 1 811 . 1 1 77 77 GLU HB3 H 1 2.06 0.03 . 1 . . . . . . . . 4851 1 812 . 1 1 77 77 GLU HG2 H 1 2.32 0.03 . 1 . . . . . . . . 4851 1 813 . 1 1 77 77 GLU HG3 H 1 2.32 0.03 . 1 . . . . . . . . 4851 1 814 . 1 1 77 77 GLU CA C 13 58.29 0.50 . 1 . . . . . . . . 4851 1 815 . 1 1 77 77 GLU CB C 13 29.51 0.50 . 1 . . . . . . . . 4851 1 816 . 1 1 77 77 GLU CG C 13 36.60 0.50 . 1 . . . . . . . . 4851 1 817 . 1 1 77 77 GLU N N 15 118.56 0.25 . 1 . . . . . . . . 4851 1 818 . 1 1 78 78 GLU H H 1 8.03 0.03 . 1 . . . . . . . . 4851 1 819 . 1 1 78 78 GLU HA H 1 4.07 0.03 . 1 . . . . . . . . 4851 1 820 . 1 1 78 78 GLU HB2 H 1 2.00 0.03 . 1 . . . . . . . . 4851 1 821 . 1 1 78 78 GLU HB3 H 1 2.00 0.03 . 1 . . . . . . . . 4851 1 822 . 1 1 78 78 GLU HG2 H 1 2.22 0.03 . 1 . . . . . . . . 4851 1 823 . 1 1 78 78 GLU HG3 H 1 2.22 0.03 . 1 . . . . . . . . 4851 1 824 . 1 1 78 78 GLU CA C 13 58.19 0.50 . 1 . . . . . . . . 4851 1 825 . 1 1 78 78 GLU CB C 13 29.67 0.50 . 1 . . . . . . . . 4851 1 826 . 1 1 78 78 GLU CG C 13 36.20 0.50 . 1 . . . . . . . . 4851 1 827 . 1 1 78 78 GLU N N 15 119.22 0.25 . 1 . . . . . . . . 4851 1 828 . 1 1 79 79 PHE H H 1 7.90 0.03 . 1 . . . . . . . . 4851 1 829 . 1 1 79 79 PHE HA H 1 4.22 0.03 . 1 . . . . . . . . 4851 1 830 . 1 1 79 79 PHE HB2 H 1 3.02 0.03 . 1 . . . . . . . . 4851 1 831 . 1 1 79 79 PHE HB3 H 1 3.17 0.03 . 1 . . . . . . . . 4851 1 832 . 1 1 79 79 PHE HD1 H 1 7.18 0.03 . 1 . . . . . . . . 4851 1 833 . 1 1 79 79 PHE HD2 H 1 7.18 0.03 . 1 . . . . . . . . 4851 1 834 . 1 1 79 79 PHE CA C 13 59.57 0.50 . 1 . . . . . . . . 4851 1 835 . 1 1 79 79 PHE CB C 13 38.97 0.50 . 1 . . . . . . . . 4851 1 836 . 1 1 79 79 PHE CD1 C 13 130.87 0.50 . 1 . . . . . . . . 4851 1 837 . 1 1 79 79 PHE CD2 C 13 130.87 0.50 . 1 . . . . . . . . 4851 1 838 . 1 1 79 79 PHE N N 15 118.97 0.25 . 1 . . . . . . . . 4851 1 839 . 1 1 80 80 VAL H H 1 7.91 0.03 . 1 . . . . . . . . 4851 1 840 . 1 1 80 80 VAL HA H 1 3.79 0.03 . 1 . . . . . . . . 4851 1 841 . 1 1 80 80 VAL HB H 1 2.23 0.03 . 1 . . . . . . . . 4851 1 842 . 1 1 80 80 VAL HG11 H 1 1.08 0.03 . 1 . . . . . . . . 4851 1 843 . 1 1 80 80 VAL HG12 H 1 1.08 0.03 . 1 . . . . . . . . 4851 1 844 . 1 1 80 80 VAL HG13 H 1 1.08 0.03 . 1 . . . . . . . . 4851 1 845 . 1 1 80 80 VAL HG21 H 1 1.16 0.03 . 1 . . . . . . . . 4851 1 846 . 1 1 80 80 VAL HG22 H 1 1.16 0.03 . 1 . . . . . . . . 4851 1 847 . 1 1 80 80 VAL HG23 H 1 1.16 0.03 . 1 . . . . . . . . 4851 1 848 . 1 1 80 80 VAL CA C 13 65.67 0.50 . 1 . . . . . . . . 4851 1 849 . 1 1 80 80 VAL CB C 13 32.04 0.50 . 1 . . . . . . . . 4851 1 850 . 1 1 80 80 VAL CG1 C 13 21.27 0.50 . 1 . . . . . . . . 4851 1 851 . 1 1 80 80 VAL CG2 C 13 22.49 0.50 . 1 . . . . . . . . 4851 1 852 . 1 1 80 80 VAL N N 15 117.73 0.25 . 1 . . . . . . . . 4851 1 853 . 1 1 81 81 LYS H H 1 7.92 0.03 . 1 . . . . . . . . 4851 1 854 . 1 1 81 81 LYS HA H 1 4.11 0.03 . 1 . . . . . . . . 4851 1 855 . 1 1 81 81 LYS HB2 H 1 1.83 0.03 . 1 . . . . . . . . 4851 1 856 . 1 1 81 81 LYS HB3 H 1 1.83 0.03 . 1 . . . . . . . . 4851 1 857 . 1 1 81 81 LYS HG2 H 1 1.45 0.03 . 2 . . . . . . . . 4851 1 858 . 1 1 81 81 LYS HG3 H 1 1.59 0.03 . 2 . . . . . . . . 4851 1 859 . 1 1 81 81 LYS HD2 H 1 1.72 0.03 . 1 . . . . . . . . 4851 1 860 . 1 1 81 81 LYS HD3 H 1 1.72 0.03 . 1 . . . . . . . . 4851 1 861 . 1 1 81 81 LYS HE2 H 1 2.96 0.03 . 1 . . . . . . . . 4851 1 862 . 1 1 81 81 LYS HE3 H 1 2.96 0.03 . 1 . . . . . . . . 4851 1 863 . 1 1 81 81 LYS CA C 13 58.70 0.50 . 1 . . . . . . . . 4851 1 864 . 1 1 81 81 LYS CB C 13 32.41 0.50 . 1 . . . . . . . . 4851 1 865 . 1 1 81 81 LYS CG C 13 25.28 0.50 . 1 . . . . . . . . 4851 1 866 . 1 1 81 81 LYS CD C 13 29.61 0.50 . 1 . . . . . . . . 4851 1 867 . 1 1 81 81 LYS CE C 13 42.20 0.50 . 1 . . . . . . . . 4851 1 868 . 1 1 81 81 LYS N N 15 120.26 0.25 . 1 . . . . . . . . 4851 1 869 . 1 1 82 82 GLY H H 1 7.80 0.03 . 1 . . . . . . . . 4851 1 870 . 1 1 82 82 GLY HA2 H 1 3.86 0.03 . 2 . . . . . . . . 4851 1 871 . 1 1 82 82 GLY HA3 H 1 3.57 0.03 . 2 . . . . . . . . 4851 1 872 . 1 1 82 82 GLY CA C 13 46.32 0.50 . 1 . . . . . . . . 4851 1 873 . 1 1 82 82 GLY N N 15 106.52 0.25 . 1 . . . . . . . . 4851 1 874 . 1 1 83 83 PHE H H 1 7.81 0.03 . 1 . . . . . . . . 4851 1 875 . 1 1 83 83 PHE HA H 1 4.37 0.03 . 1 . . . . . . . . 4851 1 876 . 1 1 83 83 PHE HB2 H 1 2.53 0.03 . 1 . . . . . . . . 4851 1 877 . 1 1 83 83 PHE HB3 H 1 2.35 0.03 . 1 . . . . . . . . 4851 1 878 . 1 1 83 83 PHE HD1 H 1 7.02 0.03 . 1 . . . . . . . . 4851 1 879 . 1 1 83 83 PHE HD2 H 1 7.02 0.03 . 1 . . . . . . . . 4851 1 880 . 1 1 83 83 PHE CA C 13 58.81 0.50 . 1 . . . . . . . . 4851 1 881 . 1 1 83 83 PHE CB C 13 38.48 0.50 . 1 . . . . . . . . 4851 1 882 . 1 1 83 83 PHE CD1 C 13 129.09 0.50 . 1 . . . . . . . . 4851 1 883 . 1 1 83 83 PHE CD2 C 13 129.09 0.50 . 1 . . . . . . . . 4851 1 884 . 1 1 83 83 PHE N N 15 118.55 0.25 . 1 . . . . . . . . 4851 1 885 . 1 1 84 84 GLN H H 1 8.07 0.03 . 1 . . . . . . . . 4851 1 886 . 1 1 84 84 GLN HA H 1 3.98 0.03 . 1 . . . . . . . . 4851 1 887 . 1 1 84 84 GLN HB2 H 1 2.12 0.03 . 1 . . . . . . . . 4851 1 888 . 1 1 84 84 GLN HB3 H 1 2.12 0.03 . 1 . . . . . . . . 4851 1 889 . 1 1 84 84 GLN HG2 H 1 2.57 0.03 . 1 . . . . . . . . 4851 1 890 . 1 1 84 84 GLN HG3 H 1 2.57 0.03 . 1 . . . . . . . . 4851 1 891 . 1 1 84 84 GLN HE21 H 1 6.85 0.03 . 2 . . . . . . . . 4851 1 892 . 1 1 84 84 GLN HE22 H 1 7.50 0.03 . 2 . . . . . . . . 4851 1 893 . 1 1 84 84 GLN CA C 13 58.36 0.50 . 1 . . . . . . . . 4851 1 894 . 1 1 84 84 GLN CB C 13 28.70 0.50 . 1 . . . . . . . . 4851 1 895 . 1 1 84 84 GLN CG C 13 34.43 0.50 . 1 . . . . . . . . 4851 1 896 . 1 1 84 84 GLN N N 15 117.67 0.25 . 1 . . . . . . . . 4851 1 897 . 1 1 84 84 GLN NE2 N 15 110.43 0.25 . 1 . . . . . . . . 4851 1 898 . 1 1 85 85 VAL H H 1 7.28 0.03 . 1 . . . . . . . . 4851 1 899 . 1 1 85 85 VAL HA H 1 4.36 0.03 . 1 . . . . . . . . 4851 1 900 . 1 1 85 85 VAL HB H 1 1.82 0.03 . 1 . . . . . . . . 4851 1 901 . 1 1 85 85 VAL HG11 H 1 0.51 0.03 . 1 . . . . . . . . 4851 1 902 . 1 1 85 85 VAL HG12 H 1 0.51 0.03 . 1 . . . . . . . . 4851 1 903 . 1 1 85 85 VAL HG13 H 1 0.51 0.03 . 1 . . . . . . . . 4851 1 904 . 1 1 85 85 VAL HG21 H 1 0.83 0.03 . 1 . . . . . . . . 4851 1 905 . 1 1 85 85 VAL HG22 H 1 0.83 0.03 . 1 . . . . . . . . 4851 1 906 . 1 1 85 85 VAL HG23 H 1 0.83 0.03 . 1 . . . . . . . . 4851 1 907 . 1 1 85 85 VAL CA C 13 64.32 0.50 . 1 . . . . . . . . 4851 1 908 . 1 1 85 85 VAL CB C 13 31.92 0.50 . 1 . . . . . . . . 4851 1 909 . 1 1 85 85 VAL CG1 C 13 20.85 0.50 . 1 . . . . . . . . 4851 1 910 . 1 1 85 85 VAL CG2 C 13 21.41 0.50 . 1 . . . . . . . . 4851 1 911 . 1 1 85 85 VAL N N 15 117.71 0.25 . 1 . . . . . . . . 4851 1 912 . 1 1 86 86 PHE H H 1 6.82 0.03 . 1 . . . . . . . . 4851 1 913 . 1 1 86 86 PHE HA H 1 4.57 0.03 . 1 . . . . . . . . 4851 1 914 . 1 1 86 86 PHE HB2 H 1 3.44 0.03 . 2 . . . . . . . . 4851 1 915 . 1 1 86 86 PHE HB3 H 1 2.81 0.03 . 2 . . . . . . . . 4851 1 916 . 1 1 86 86 PHE HD1 H 1 7.26 0.03 . 1 . . . . . . . . 4851 1 917 . 1 1 86 86 PHE HD2 H 1 7.26 0.03 . 1 . . . . . . . . 4851 1 918 . 1 1 86 86 PHE CA C 13 58.33 0.50 . 1 . . . . . . . . 4851 1 919 . 1 1 86 86 PHE CB C 13 39.77 0.50 . 1 . . . . . . . . 4851 1 920 . 1 1 86 86 PHE CD1 C 13 131.85 0.50 . 1 . . . . . . . . 4851 1 921 . 1 1 86 86 PHE CD2 C 13 131.85 0.50 . 1 . . . . . . . . 4851 1 922 . 1 1 86 86 PHE N N 15 108.33 0.25 . 1 . . . . . . . . 4851 1 923 . 1 1 87 87 ASP H H 1 7.88 0.03 . 1 . . . . . . . . 4851 1 924 . 1 1 87 87 ASP HA H 1 5.08 0.03 . 1 . . . . . . . . 4851 1 925 . 1 1 87 87 ASP HB2 H 1 2.63 0.03 . 1 . . . . . . . . 4851 1 926 . 1 1 87 87 ASP HB3 H 1 2.98 0.03 . 1 . . . . . . . . 4851 1 927 . 1 1 87 87 ASP CA C 13 52.58 0.50 . 1 . . . . . . . . 4851 1 928 . 1 1 87 87 ASP CB C 13 40.75 0.50 . 1 . . . . . . . . 4851 1 929 . 1 1 87 87 ASP N N 15 121.61 0.25 . 1 . . . . . . . . 4851 1 930 . 1 1 88 88 LYS H H 1 8.35 0.03 . 1 . . . . . . . . 4851 1 931 . 1 1 88 88 LYS HA H 1 4.14 0.03 . 1 . . . . . . . . 4851 1 932 . 1 1 88 88 LYS HB2 H 1 1.87 0.03 . 1 . . . . . . . . 4851 1 933 . 1 1 88 88 LYS HB3 H 1 1.87 0.03 . 1 . . . . . . . . 4851 1 934 . 1 1 88 88 LYS HG2 H 1 1.51 0.03 . 1 . . . . . . . . 4851 1 935 . 1 1 88 88 LYS HG3 H 1 1.51 0.03 . 1 . . . . . . . . 4851 1 936 . 1 1 88 88 LYS HD2 H 1 1.70 0.03 . 1 . . . . . . . . 4851 1 937 . 1 1 88 88 LYS HD3 H 1 1.70 0.03 . 1 . . . . . . . . 4851 1 938 . 1 1 88 88 LYS HE2 H 1 3.06 0.03 . 1 . . . . . . . . 4851 1 939 . 1 1 88 88 LYS HE3 H 1 3.06 0.03 . 1 . . . . . . . . 4851 1 940 . 1 1 88 88 LYS CA C 13 58.61 0.50 . 1 . . . . . . . . 4851 1 941 . 1 1 88 88 LYS CB C 13 32.36 0.50 . 1 . . . . . . . . 4851 1 942 . 1 1 88 88 LYS CG C 13 24.76 0.50 . 1 . . . . . . . . 4851 1 943 . 1 1 88 88 LYS CD C 13 29.21 0.50 . 1 . . . . . . . . 4851 1 944 . 1 1 88 88 LYS CE C 13 42.23 0.50 . 1 . . . . . . . . 4851 1 945 . 1 1 88 88 LYS N N 15 123.34 0.25 . 1 . . . . . . . . 4851 1 946 . 1 1 89 89 ASP H H 1 8.61 0.03 . 1 . . . . . . . . 4851 1 947 . 1 1 89 89 ASP HA H 1 4.79 0.03 . 1 . . . . . . . . 4851 1 948 . 1 1 89 89 ASP HB2 H 1 2.85 0.03 . 1 . . . . . . . . 4851 1 949 . 1 1 89 89 ASP HB3 H 1 2.70 0.03 . 1 . . . . . . . . 4851 1 950 . 1 1 89 89 ASP CA C 13 54.30 0.50 . 1 . . . . . . . . 4851 1 951 . 1 1 89 89 ASP CB C 13 41.09 0.50 . 1 . . . . . . . . 4851 1 952 . 1 1 89 89 ASP N N 15 117.69 0.25 . 1 . . . . . . . . 4851 1 953 . 1 1 90 90 ALA H H 1 8.00 0.03 . 1 . . . . . . . . 4851 1 954 . 1 1 90 90 ALA HA H 1 4.20 0.03 . 1 . . . . . . . . 4851 1 955 . 1 1 90 90 ALA HB1 H 1 1.44 0.03 . 1 . . . . . . . . 4851 1 956 . 1 1 90 90 ALA HB2 H 1 1.44 0.03 . 1 . . . . . . . . 4851 1 957 . 1 1 90 90 ALA HB3 H 1 1.44 0.03 . 1 . . . . . . . . 4851 1 958 . 1 1 90 90 ALA CA C 13 53.46 0.50 . 1 . . . . . . . . 4851 1 959 . 1 1 90 90 ALA CB C 13 17.01 0.50 . 1 . . . . . . . . 4851 1 960 . 1 1 90 90 ALA N N 15 122.40 0.25 . 1 . . . . . . . . 4851 1 961 . 1 1 91 91 THR H H 1 9.14 0.03 . 1 . . . . . . . . 4851 1 962 . 1 1 91 91 THR HA H 1 4.36 0.03 . 1 . . . . . . . . 4851 1 963 . 1 1 91 91 THR HB H 1 4.26 0.03 . 1 . . . . . . . . 4851 1 964 . 1 1 91 91 THR HG21 H 1 1.22 0.03 . 1 . . . . . . . . 4851 1 965 . 1 1 91 91 THR HG22 H 1 1.22 0.03 . 1 . . . . . . . . 4851 1 966 . 1 1 91 91 THR HG23 H 1 1.22 0.03 . 1 . . . . . . . . 4851 1 967 . 1 1 91 91 THR CA C 13 62.71 0.50 . 1 . . . . . . . . 4851 1 968 . 1 1 91 91 THR CB C 13 69.40 0.50 . 1 . . . . . . . . 4851 1 969 . 1 1 91 91 THR CG2 C 13 21.68 0.50 . 1 . . . . . . . . 4851 1 970 . 1 1 91 91 THR N N 15 111.35 0.25 . 1 . . . . . . . . 4851 1 971 . 1 1 92 92 GLY H H 1 8.32 0.03 . 1 . . . . . . . . 4851 1 972 . 1 1 92 92 GLY HA2 H 1 4.00 0.03 . 2 . . . . . . . . 4851 1 973 . 1 1 92 92 GLY HA3 H 1 3.22 0.03 . 2 . . . . . . . . 4851 1 974 . 1 1 92 92 GLY CA C 13 45.47 0.50 . 1 . . . . . . . . 4851 1 975 . 1 1 92 92 GLY N N 15 109.08 0.25 . 1 . . . . . . . . 4851 1 976 . 1 1 93 93 MET H H 1 7.80 0.03 . 1 . . . . . . . . 4851 1 977 . 1 1 93 93 MET HA H 1 5.48 0.03 . 1 . . . . . . . . 4851 1 978 . 1 1 93 93 MET HB2 H 1 2.17 0.03 . 2 . . . . . . . . 4851 1 979 . 1 1 93 93 MET HB3 H 1 1.79 0.03 . 2 . . . . . . . . 4851 1 980 . 1 1 93 93 MET HG2 H 1 2.60 0.03 . 2 . . . . . . . . 4851 1 981 . 1 1 93 93 MET HG3 H 1 2.34 0.03 . 2 . . . . . . . . 4851 1 982 . 1 1 93 93 MET CA C 13 52.89 0.50 . 1 . . . . . . . . 4851 1 983 . 1 1 93 93 MET CB C 13 34.23 0.50 . 1 . . . . . . . . 4851 1 984 . 1 1 93 93 MET CG C 13 31.79 0.50 . 1 . . . . . . . . 4851 1 985 . 1 1 93 93 MET N N 15 117.60 0.25 . 1 . . . . . . . . 4851 1 986 . 1 1 94 94 ILE H H 1 8.99 0.03 . 1 . . . . . . . . 4851 1 987 . 1 1 94 94 ILE HA H 1 4.78 0.03 . 1 . . . . . . . . 4851 1 988 . 1 1 94 94 ILE HB H 1 1.96 0.03 . 1 . . . . . . . . 4851 1 989 . 1 1 94 94 ILE HG12 H 1 1.57 0.03 . 2 . . . . . . . . 4851 1 990 . 1 1 94 94 ILE HG13 H 1 1.32 0.03 . 2 . . . . . . . . 4851 1 991 . 1 1 94 94 ILE HD11 H 1 0.72 0.03 . 1 . . . . . . . . 4851 1 992 . 1 1 94 94 ILE HD12 H 1 0.72 0.03 . 1 . . . . . . . . 4851 1 993 . 1 1 94 94 ILE HD13 H 1 0.72 0.03 . 1 . . . . . . . . 4851 1 994 . 1 1 94 94 ILE HG21 H 1 0.89 0.03 . 1 . . . . . . . . 4851 1 995 . 1 1 94 94 ILE HG22 H 1 0.89 0.03 . 1 . . . . . . . . 4851 1 996 . 1 1 94 94 ILE HG23 H 1 0.89 0.03 . 1 . . . . . . . . 4851 1 997 . 1 1 94 94 ILE CA C 13 59.25 0.50 . 1 . . . . . . . . 4851 1 998 . 1 1 94 94 ILE CB C 13 42.25 0.50 . 1 . . . . . . . . 4851 1 999 . 1 1 94 94 ILE CG1 C 13 26.66 0.50 . 1 . . . . . . . . 4851 1 1000 . 1 1 94 94 ILE CD1 C 13 14.37 0.50 . 1 . . . . . . . . 4851 1 1001 . 1 1 94 94 ILE CG2 C 13 18.10 0.50 . 1 . . . . . . . . 4851 1 1002 . 1 1 94 94 ILE N N 15 117.24 0.25 . 1 . . . . . . . . 4851 1 1003 . 1 1 95 95 GLY H H 1 8.90 0.03 . 1 . . . . . . . . 4851 1 1004 . 1 1 95 95 GLY HA2 H 1 4.69 0.03 . 2 . . . . . . . . 4851 1 1005 . 1 1 95 95 GLY HA3 H 1 3.92 0.03 . 2 . . . . . . . . 4851 1 1006 . 1 1 95 95 GLY CA C 13 45.41 0.50 . 1 . . . . . . . . 4851 1 1007 . 1 1 95 95 GLY N N 15 112.14 0.25 . 1 . . . . . . . . 4851 1 1008 . 1 1 96 96 VAL H H 1 8.18 0.03 . 1 . . . . . . . . 4851 1 1009 . 1 1 96 96 VAL HA H 1 3.59 0.03 . 1 . . . . . . . . 4851 1 1010 . 1 1 96 96 VAL HB H 1 1.91 0.03 . 1 . . . . . . . . 4851 1 1011 . 1 1 96 96 VAL HG11 H 1 0.90 0.03 . 1 . . . . . . . . 4851 1 1012 . 1 1 96 96 VAL HG12 H 1 0.90 0.03 . 1 . . . . . . . . 4851 1 1013 . 1 1 96 96 VAL HG13 H 1 0.90 0.03 . 1 . . . . . . . . 4851 1 1014 . 1 1 96 96 VAL HG21 H 1 0.90 0.03 . 1 . . . . . . . . 4851 1 1015 . 1 1 96 96 VAL HG22 H 1 0.90 0.03 . 1 . . . . . . . . 4851 1 1016 . 1 1 96 96 VAL HG23 H 1 0.90 0.03 . 1 . . . . . . . . 4851 1 1017 . 1 1 96 96 VAL CA C 13 66.02 0.50 . 1 . . . . . . . . 4851 1 1018 . 1 1 96 96 VAL CB C 13 31.78 0.50 . 1 . . . . . . . . 4851 1 1019 . 1 1 96 96 VAL CG1 C 13 21.26 0.50 . 1 . . . . . . . . 4851 1 1020 . 1 1 96 96 VAL CG2 C 13 21.26 0.50 . 1 . . . . . . . . 4851 1 1021 . 1 1 96 96 VAL N N 15 121.14 0.25 . 1 . . . . . . . . 4851 1 1022 . 1 1 97 97 GLY H H 1 8.80 0.03 . 1 . . . . . . . . 4851 1 1023 . 1 1 97 97 GLY HA2 H 1 4.30 0.03 . 2 . . . . . . . . 4851 1 1024 . 1 1 97 97 GLY HA3 H 1 3.80 0.03 . 2 . . . . . . . . 4851 1 1025 . 1 1 97 97 GLY CA C 13 46.64 0.50 . 1 . . . . . . . . 4851 1 1026 . 1 1 97 97 GLY N N 15 108.30 0.25 . 1 . . . . . . . . 4851 1 1027 . 1 1 98 98 GLU H H 1 7.74 0.03 . 1 . . . . . . . . 4851 1 1028 . 1 1 98 98 GLU HA H 1 3.85 0.03 . 1 . . . . . . . . 4851 1 1029 . 1 1 98 98 GLU HB2 H 1 1.94 0.03 . 1 . . . . . . . . 4851 1 1030 . 1 1 98 98 GLU HB3 H 1 2.03 0.03 . 1 . . . . . . . . 4851 1 1031 . 1 1 98 98 GLU HG2 H 1 2.45 0.03 . 2 . . . . . . . . 4851 1 1032 . 1 1 98 98 GLU HG3 H 1 2.34 0.03 . 2 . . . . . . . . 4851 1 1033 . 1 1 98 98 GLU CA C 13 59.17 0.50 . 1 . . . . . . . . 4851 1 1034 . 1 1 98 98 GLU CB C 13 28.48 0.50 . 1 . . . . . . . . 4851 1 1035 . 1 1 98 98 GLU CG C 13 37.59 0.50 . 1 . . . . . . . . 4851 1 1036 . 1 1 98 98 GLU N N 15 123.25 0.25 . 1 . . . . . . . . 4851 1 1037 . 1 1 99 99 LEU H H 1 8.02 0.03 . 1 . . . . . . . . 4851 1 1038 . 1 1 99 99 LEU HA H 1 3.80 0.03 . 1 . . . . . . . . 4851 1 1039 . 1 1 99 99 LEU HB2 H 1 1.36 0.03 . 1 . . . . . . . . 4851 1 1040 . 1 1 99 99 LEU HB3 H 1 1.78 0.03 . 1 . . . . . . . . 4851 1 1041 . 1 1 99 99 LEU HG H 1 1.30 0.03 . 1 . . . . . . . . 4851 1 1042 . 1 1 99 99 LEU HD11 H 1 0.28 0.03 . 1 . . . . . . . . 4851 1 1043 . 1 1 99 99 LEU HD12 H 1 0.28 0.03 . 1 . . . . . . . . 4851 1 1044 . 1 1 99 99 LEU HD13 H 1 0.28 0.03 . 1 . . . . . . . . 4851 1 1045 . 1 1 99 99 LEU HD21 H 1 0.23 0.03 . 1 . . . . . . . . 4851 1 1046 . 1 1 99 99 LEU HD22 H 1 0.23 0.03 . 1 . . . . . . . . 4851 1 1047 . 1 1 99 99 LEU HD23 H 1 0.23 0.03 . 1 . . . . . . . . 4851 1 1048 . 1 1 99 99 LEU CA C 13 58.64 0.50 . 1 . . . . . . . . 4851 1 1049 . 1 1 99 99 LEU CB C 13 41.75 0.50 . 1 . . . . . . . . 4851 1 1050 . 1 1 99 99 LEU CG C 13 26.24 0.50 . 1 . . . . . . . . 4851 1 1051 . 1 1 99 99 LEU CD1 C 13 24.43 0.50 . 1 . . . . . . . . 4851 1 1052 . 1 1 99 99 LEU CD2 C 13 25.17 0.50 . 1 . . . . . . . . 4851 1 1053 . 1 1 99 99 LEU N N 15 120.29 0.25 . 1 . . . . . . . . 4851 1 1054 . 1 1 100 100 ARG H H 1 8.10 0.03 . 1 . . . . . . . . 4851 1 1055 . 1 1 100 100 ARG HA H 1 3.85 0.03 . 1 . . . . . . . . 4851 1 1056 . 1 1 100 100 ARG HB2 H 1 1.81 0.03 . 1 . . . . . . . . 4851 1 1057 . 1 1 100 100 ARG HB3 H 1 1.81 0.03 . 1 . . . . . . . . 4851 1 1058 . 1 1 100 100 ARG HG2 H 1 1.72 0.03 . 2 . . . . . . . . 4851 1 1059 . 1 1 100 100 ARG HG3 H 1 1.50 0.03 . 2 . . . . . . . . 4851 1 1060 . 1 1 100 100 ARG HD2 H 1 3.16 0.03 . 1 . . . . . . . . 4851 1 1061 . 1 1 100 100 ARG HD3 H 1 3.16 0.03 . 1 . . . . . . . . 4851 1 1062 . 1 1 100 100 ARG CA C 13 59.85 0.50 . 1 . . . . . . . . 4851 1 1063 . 1 1 100 100 ARG CB C 13 30.20 0.50 . 1 . . . . . . . . 4851 1 1064 . 1 1 100 100 ARG CG C 13 28.38 0.50 . 1 . . . . . . . . 4851 1 1065 . 1 1 100 100 ARG CD C 13 43.34 0.50 . 1 . . . . . . . . 4851 1 1066 . 1 1 100 100 ARG N N 15 116.86 0.25 . 1 . . . . . . . . 4851 1 1067 . 1 1 101 101 TYR H H 1 7.81 0.03 . 1 . . . . . . . . 4851 1 1068 . 1 1 101 101 TYR HA H 1 4.20 0.03 . 1 . . . . . . . . 4851 1 1069 . 1 1 101 101 TYR HB2 H 1 3.14 0.03 . 1 . . . . . . . . 4851 1 1070 . 1 1 101 101 TYR HB3 H 1 3.14 0.03 . 1 . . . . . . . . 4851 1 1071 . 1 1 101 101 TYR HD1 H 1 7.08 0.03 . 1 . . . . . . . . 4851 1 1072 . 1 1 101 101 TYR HD2 H 1 7.08 0.03 . 1 . . . . . . . . 4851 1 1073 . 1 1 101 101 TYR HE1 H 1 6.88 0.03 . 1 . . . . . . . . 4851 1 1074 . 1 1 101 101 TYR HE2 H 1 6.88 0.03 . 1 . . . . . . . . 4851 1 1075 . 1 1 101 101 TYR CA C 13 61.12 0.50 . 1 . . . . . . . . 4851 1 1076 . 1 1 101 101 TYR CB C 13 37.94 0.50 . 1 . . . . . . . . 4851 1 1077 . 1 1 101 101 TYR CD1 C 13 133.02 0.50 . 1 . . . . . . . . 4851 1 1078 . 1 1 101 101 TYR CD2 C 13 133.02 0.50 . 1 . . . . . . . . 4851 1 1079 . 1 1 101 101 TYR CE1 C 13 118.23 0.50 . 1 . . . . . . . . 4851 1 1080 . 1 1 101 101 TYR CE2 C 13 118.23 0.50 . 1 . . . . . . . . 4851 1 1081 . 1 1 101 101 TYR N N 15 120.68 0.25 . 1 . . . . . . . . 4851 1 1082 . 1 1 102 102 VAL H H 1 8.21 0.03 . 1 . . . . . . . . 4851 1 1083 . 1 1 102 102 VAL HA H 1 3.38 0.03 . 1 . . . . . . . . 4851 1 1084 . 1 1 102 102 VAL HB H 1 2.09 0.03 . 1 . . . . . . . . 4851 1 1085 . 1 1 102 102 VAL HG11 H 1 0.42 0.03 . 1 . . . . . . . . 4851 1 1086 . 1 1 102 102 VAL HG12 H 1 0.42 0.03 . 1 . . . . . . . . 4851 1 1087 . 1 1 102 102 VAL HG13 H 1 0.42 0.03 . 1 . . . . . . . . 4851 1 1088 . 1 1 102 102 VAL HG21 H 1 1.05 0.03 . 1 . . . . . . . . 4851 1 1089 . 1 1 102 102 VAL HG22 H 1 1.05 0.03 . 1 . . . . . . . . 4851 1 1090 . 1 1 102 102 VAL HG23 H 1 1.05 0.03 . 1 . . . . . . . . 4851 1 1091 . 1 1 102 102 VAL CA C 13 66.39 0.50 . 1 . . . . . . . . 4851 1 1092 . 1 1 102 102 VAL CB C 13 31.63 0.50 . 1 . . . . . . . . 4851 1 1093 . 1 1 102 102 VAL CG1 C 13 21.03 0.50 . 1 . . . . . . . . 4851 1 1094 . 1 1 102 102 VAL CG2 C 13 23.29 0.50 . 1 . . . . . . . . 4851 1 1095 . 1 1 102 102 VAL N N 15 121.14 0.25 . 1 . . . . . . . . 4851 1 1096 . 1 1 103 103 LEU H H 1 8.17 0.03 . 1 . . . . . . . . 4851 1 1097 . 1 1 103 103 LEU HA H 1 4.00 0.03 . 1 . . . . . . . . 4851 1 1098 . 1 1 103 103 LEU HB2 H 1 1.97 0.03 . 1 . . . . . . . . 4851 1 1099 . 1 1 103 103 LEU HB3 H 1 1.53 0.03 . 1 . . . . . . . . 4851 1 1100 . 1 1 103 103 LEU HG H 1 1.63 0.03 . 1 . . . . . . . . 4851 1 1101 . 1 1 103 103 LEU HD11 H 1 0.90 0.03 . 1 . . . . . . . . 4851 1 1102 . 1 1 103 103 LEU HD12 H 1 0.90 0.03 . 1 . . . . . . . . 4851 1 1103 . 1 1 103 103 LEU HD13 H 1 0.90 0.03 . 1 . . . . . . . . 4851 1 1104 . 1 1 103 103 LEU HD21 H 1 0.90 0.03 . 1 . . . . . . . . 4851 1 1105 . 1 1 103 103 LEU HD22 H 1 0.90 0.03 . 1 . . . . . . . . 4851 1 1106 . 1 1 103 103 LEU HD23 H 1 0.90 0.03 . 1 . . . . . . . . 4851 1 1107 . 1 1 103 103 LEU CA C 13 58.03 0.50 . 1 . . . . . . . . 4851 1 1108 . 1 1 103 103 LEU CB C 13 41.59 0.50 . 1 . . . . . . . . 4851 1 1109 . 1 1 103 103 LEU CG C 13 27.35 0.50 . 1 . . . . . . . . 4851 1 1110 . 1 1 103 103 LEU CD1 C 13 26.12 0.50 . 1 . . . . . . . . 4851 1 1111 . 1 1 103 103 LEU CD2 C 13 26.12 0.50 . 1 . . . . . . . . 4851 1 1112 . 1 1 103 103 LEU N N 15 118.13 0.25 . 1 . . . . . . . . 4851 1 1113 . 1 1 104 104 THR H H 1 8.10 0.03 . 1 . . . . . . . . 4851 1 1114 . 1 1 104 104 THR HA H 1 4.25 0.03 . 1 . . . . . . . . 4851 1 1115 . 1 1 104 104 THR HB H 1 4.25 0.03 . 1 . . . . . . . . 4851 1 1116 . 1 1 104 104 THR HG21 H 1 1.24 0.03 . 1 . . . . . . . . 4851 1 1117 . 1 1 104 104 THR HG22 H 1 1.24 0.03 . 1 . . . . . . . . 4851 1 1118 . 1 1 104 104 THR HG23 H 1 1.24 0.03 . 1 . . . . . . . . 4851 1 1119 . 1 1 104 104 THR CA C 13 65.17 0.50 . 1 . . . . . . . . 4851 1 1120 . 1 1 104 104 THR CB C 13 69.10 0.50 . 1 . . . . . . . . 4851 1 1121 . 1 1 104 104 THR CG2 C 13 21.24 0.50 . 1 . . . . . . . . 4851 1 1122 . 1 1 104 104 THR N N 15 112.59 0.25 . 1 . . . . . . . . 4851 1 1123 . 1 1 105 105 SER H H 1 7.93 0.03 . 1 . . . . . . . . 4851 1 1124 . 1 1 105 105 SER HA H 1 4.26 0.03 . 1 . . . . . . . . 4851 1 1125 . 1 1 105 105 SER HB2 H 1 3.83 0.03 . 2 . . . . . . . . 4851 1 1126 . 1 1 105 105 SER HB3 H 1 3.70 0.03 . 2 . . . . . . . . 4851 1 1127 . 1 1 105 105 SER CA C 13 60.87 0.50 . 1 . . . . . . . . 4851 1 1128 . 1 1 105 105 SER CB C 13 63.08 0.50 . 1 . . . . . . . . 4851 1 1129 . 1 1 105 105 SER N N 15 118.55 0.25 . 1 . . . . . . . . 4851 1 1130 . 1 1 106 106 LEU H H 1 7.61 0.03 . 1 . . . . . . . . 4851 1 1131 . 1 1 106 106 LEU HA H 1 4.35 0.03 . 1 . . . . . . . . 4851 1 1132 . 1 1 106 106 LEU HB2 H 1 1.68 0.03 . 1 . . . . . . . . 4851 1 1133 . 1 1 106 106 LEU HB3 H 1 1.53 0.03 . 1 . . . . . . . . 4851 1 1134 . 1 1 106 106 LEU HG H 1 1.66 0.03 . 1 . . . . . . . . 4851 1 1135 . 1 1 106 106 LEU HD11 H 1 0.64 0.03 . 1 . . . . . . . . 4851 1 1136 . 1 1 106 106 LEU HD12 H 1 0.64 0.03 . 1 . . . . . . . . 4851 1 1137 . 1 1 106 106 LEU HD13 H 1 0.64 0.03 . 1 . . . . . . . . 4851 1 1138 . 1 1 106 106 LEU HD21 H 1 0.73 0.03 . 1 . . . . . . . . 4851 1 1139 . 1 1 106 106 LEU HD22 H 1 0.73 0.03 . 1 . . . . . . . . 4851 1 1140 . 1 1 106 106 LEU HD23 H 1 0.73 0.03 . 1 . . . . . . . . 4851 1 1141 . 1 1 106 106 LEU CA C 13 55.25 0.50 . 1 . . . . . . . . 4851 1 1142 . 1 1 106 106 LEU CB C 13 42.34 0.50 . 1 . . . . . . . . 4851 1 1143 . 1 1 106 106 LEU CG C 13 26.59 0.50 . 1 . . . . . . . . 4851 1 1144 . 1 1 106 106 LEU CD1 C 13 25.84 0.50 . 1 . . . . . . . . 4851 1 1145 . 1 1 106 106 LEU CD2 C 13 22.82 0.50 . 1 . . . . . . . . 4851 1 1146 . 1 1 106 106 LEU N N 15 120.70 0.25 . 1 . . . . . . . . 4851 1 1147 . 1 1 107 107 GLY H H 1 7.86 0.03 . 1 . . . . . . . . 4851 1 1148 . 1 1 107 107 GLY HA2 H 1 4.04 0.03 . 2 . . . . . . . . 4851 1 1149 . 1 1 107 107 GLY HA3 H 1 3.89 0.03 . 2 . . . . . . . . 4851 1 1150 . 1 1 107 107 GLY CA C 13 45.80 0.50 . 1 . . . . . . . . 4851 1 1151 . 1 1 107 107 GLY N N 15 106.59 0.25 . 1 . . . . . . . . 4851 1 1152 . 1 1 108 108 GLU H H 1 8.02 0.03 . 1 . . . . . . . . 4851 1 1153 . 1 1 108 108 GLU HA H 1 4.31 0.03 . 1 . . . . . . . . 4851 1 1154 . 1 1 108 108 GLU HB2 H 1 1.85 0.03 . 1 . . . . . . . . 4851 1 1155 . 1 1 108 108 GLU HB3 H 1 2.04 0.03 . 1 . . . . . . . . 4851 1 1156 . 1 1 108 108 GLU HG2 H 1 2.22 0.03 . 1 . . . . . . . . 4851 1 1157 . 1 1 108 108 GLU HG3 H 1 2.22 0.03 . 1 . . . . . . . . 4851 1 1158 . 1 1 108 108 GLU CA C 13 56.08 0.50 . 1 . . . . . . . . 4851 1 1159 . 1 1 108 108 GLU CB C 13 29.59 0.50 . 1 . . . . . . . . 4851 1 1160 . 1 1 108 108 GLU CG C 13 35.56 0.50 . 1 . . . . . . . . 4851 1 1161 . 1 1 108 108 GLU N N 15 120.27 0.25 . 1 . . . . . . . . 4851 1 1162 . 1 1 109 109 LYS H H 1 8.33 0.03 . 1 . . . . . . . . 4851 1 1163 . 1 1 109 109 LYS HA H 1 4.27 0.03 . 1 . . . . . . . . 4851 1 1164 . 1 1 109 109 LYS HB2 H 1 1.80 0.03 . 1 . . . . . . . . 4851 1 1165 . 1 1 109 109 LYS HB3 H 1 1.80 0.03 . 1 . . . . . . . . 4851 1 1166 . 1 1 109 109 LYS HG2 H 1 1.39 0.03 . 2 . . . . . . . . 4851 1 1167 . 1 1 109 109 LYS HG3 H 1 1.34 0.03 . 2 . . . . . . . . 4851 1 1168 . 1 1 109 109 LYS HD2 H 1 1.67 0.03 . 1 . . . . . . . . 4851 1 1169 . 1 1 109 109 LYS HD3 H 1 1.67 0.03 . 1 . . . . . . . . 4851 1 1170 . 1 1 109 109 LYS HE2 H 1 2.97 0.03 . 1 . . . . . . . . 4851 1 1171 . 1 1 109 109 LYS HE3 H 1 2.97 0.03 . 1 . . . . . . . . 4851 1 1172 . 1 1 109 109 LYS CA C 13 56.29 0.50 . 1 . . . . . . . . 4851 1 1173 . 1 1 109 109 LYS CB C 13 32.26 0.50 . 1 . . . . . . . . 4851 1 1174 . 1 1 109 109 LYS CG C 13 24.72 0.50 . 1 . . . . . . . . 4851 1 1175 . 1 1 109 109 LYS CD C 13 29.13 0.50 . 1 . . . . . . . . 4851 1 1176 . 1 1 109 109 LYS CE C 13 42.22 0.50 . 1 . . . . . . . . 4851 1 1177 . 1 1 109 109 LYS N N 15 121.55 0.25 . 1 . . . . . . . . 4851 1 1178 . 1 1 110 110 LEU H H 1 7.85 0.03 . 1 . . . . . . . . 4851 1 1179 . 1 1 110 110 LEU HA H 1 4.64 0.03 . 1 . . . . . . . . 4851 1 1180 . 1 1 110 110 LEU HB2 H 1 1.55 0.03 . 1 . . . . . . . . 4851 1 1181 . 1 1 110 110 LEU HB3 H 1 1.55 0.03 . 1 . . . . . . . . 4851 1 1182 . 1 1 110 110 LEU HG H 1 1.55 0.03 . 1 . . . . . . . . 4851 1 1183 . 1 1 110 110 LEU HD11 H 1 0.87 0.03 . 1 . . . . . . . . 4851 1 1184 . 1 1 110 110 LEU HD12 H 1 0.87 0.03 . 1 . . . . . . . . 4851 1 1185 . 1 1 110 110 LEU HD13 H 1 0.87 0.03 . 1 . . . . . . . . 4851 1 1186 . 1 1 110 110 LEU HD21 H 1 0.87 0.03 . 1 . . . . . . . . 4851 1 1187 . 1 1 110 110 LEU HD22 H 1 0.87 0.03 . 1 . . . . . . . . 4851 1 1188 . 1 1 110 110 LEU HD23 H 1 0.87 0.03 . 1 . . . . . . . . 4851 1 1189 . 1 1 110 110 LEU CA C 13 54.15 0.50 . 1 . . . . . . . . 4851 1 1190 . 1 1 110 110 LEU CB C 13 44.39 0.50 . 1 . . . . . . . . 4851 1 1191 . 1 1 110 110 LEU CG C 13 27.25 0.50 . 1 . . . . . . . . 4851 1 1192 . 1 1 110 110 LEU CD1 C 13 26.26 0.50 . 1 . . . . . . . . 4851 1 1193 . 1 1 110 110 LEU CD2 C 13 24.15 0.50 . 1 . . . . . . . . 4851 1 1194 . 1 1 110 110 LEU N N 15 122.70 0.25 . 1 . . . . . . . . 4851 1 1195 . 1 1 111 111 SER H H 1 9.14 0.03 . 1 . . . . . . . . 4851 1 1196 . 1 1 111 111 SER HA H 1 4.52 0.03 . 1 . . . . . . . . 4851 1 1197 . 1 1 111 111 SER HB2 H 1 4.40 0.03 . 1 . . . . . . . . 4851 1 1198 . 1 1 111 111 SER HB3 H 1 4.05 0.03 . 1 . . . . . . . . 4851 1 1199 . 1 1 111 111 SER CA C 13 57.14 0.50 . 1 . . . . . . . . 4851 1 1200 . 1 1 111 111 SER CB C 13 65.36 0.50 . 1 . . . . . . . . 4851 1 1201 . 1 1 111 111 SER N N 15 119.05 0.25 . 1 . . . . . . . . 4851 1 1202 . 1 1 112 112 ASN H H 1 9.08 0.03 . 1 . . . . . . . . 4851 1 1203 . 1 1 112 112 ASN HA H 1 4.33 0.03 . 1 . . . . . . . . 4851 1 1204 . 1 1 112 112 ASN HB2 H 1 2.85 0.03 . 2 . . . . . . . . 4851 1 1205 . 1 1 112 112 ASN HB3 H 1 2.76 0.03 . 2 . . . . . . . . 4851 1 1206 . 1 1 112 112 ASN HD21 H 1 6.96 0.03 . 2 . . . . . . . . 4851 1 1207 . 1 1 112 112 ASN HD22 H 1 7.71 0.03 . 2 . . . . . . . . 4851 1 1208 . 1 1 112 112 ASN CA C 13 56.78 0.50 . 1 . . . . . . . . 4851 1 1209 . 1 1 112 112 ASN CB C 13 37.82 0.50 . 1 . . . . . . . . 4851 1 1210 . 1 1 112 112 ASN N N 15 120.27 0.25 . 1 . . . . . . . . 4851 1 1211 . 1 1 112 112 ASN ND2 N 15 112.73 0.25 . 1 . . . . . . . . 4851 1 1212 . 1 1 113 113 GLU H H 1 8.78 0.03 . 1 . . . . . . . . 4851 1 1213 . 1 1 113 113 GLU HA H 1 4.11 0.03 . 1 . . . . . . . . 4851 1 1214 . 1 1 113 113 GLU HB2 H 1 2.00 0.03 . 1 . . . . . . . . 4851 1 1215 . 1 1 113 113 GLU HB3 H 1 2.00 0.03 . 1 . . . . . . . . 4851 1 1216 . 1 1 113 113 GLU HG2 H 1 2.44 0.03 . 2 . . . . . . . . 4851 1 1217 . 1 1 113 113 GLU HG3 H 1 2.33 0.03 . 2 . . . . . . . . 4851 1 1218 . 1 1 113 113 GLU CA C 13 60.14 0.50 . 1 . . . . . . . . 4851 1 1219 . 1 1 113 113 GLU CB C 13 29.11 0.50 . 1 . . . . . . . . 4851 1 1220 . 1 1 113 113 GLU CG C 13 37.10 0.50 . 1 . . . . . . . . 4851 1 1221 . 1 1 113 113 GLU N N 15 118.98 0.25 . 1 . . . . . . . . 4851 1 1222 . 1 1 114 114 GLU H H 1 7.88 0.03 . 1 . . . . . . . . 4851 1 1223 . 1 1 114 114 GLU HA H 1 4.04 0.03 . 1 . . . . . . . . 4851 1 1224 . 1 1 114 114 GLU HB2 H 1 2.28 0.03 . 1 . . . . . . . . 4851 1 1225 . 1 1 114 114 GLU HB3 H 1 2.28 0.03 . 1 . . . . . . . . 4851 1 1226 . 1 1 114 114 GLU CA C 13 58.88 0.50 . 1 . . . . . . . . 4851 1 1227 . 1 1 114 114 GLU CB C 13 30.38 0.50 . 1 . . . . . . . . 4851 1 1228 . 1 1 114 114 GLU CG C 13 37.31 0.50 . 1 . . . . . . . . 4851 1 1229 . 1 1 114 114 GLU N N 15 120.63 0.25 . 1 . . . . . . . . 4851 1 1230 . 1 1 115 115 MET H H 1 8.42 0.03 . 1 . . . . . . . . 4851 1 1231 . 1 1 115 115 MET HA H 1 4.18 0.03 . 1 . . . . . . . . 4851 1 1232 . 1 1 115 115 MET HB2 H 1 2.50 0.03 . 1 . . . . . . . . 4851 1 1233 . 1 1 115 115 MET HB3 H 1 2.50 0.03 . 1 . . . . . . . . 4851 1 1234 . 1 1 115 115 MET HG2 H 1 2.12 0.03 . 1 . . . . . . . . 4851 1 1235 . 1 1 115 115 MET HG3 H 1 2.12 0.03 . 1 . . . . . . . . 4851 1 1236 . 1 1 115 115 MET CA C 13 58.50 0.50 . 1 . . . . . . . . 4851 1 1237 . 1 1 115 115 MET CB C 13 32.18 0.50 . 1 . . . . . . . . 4851 1 1238 . 1 1 115 115 MET N N 15 120.20 0.25 . 1 . . . . . . . . 4851 1 1239 . 1 1 116 116 ASP H H 1 8.23 0.03 . 1 . . . . . . . . 4851 1 1240 . 1 1 116 116 ASP HA H 1 4.31 0.03 . 1 . . . . . . . . 4851 1 1241 . 1 1 116 116 ASP HB2 H 1 2.83 0.03 . 1 . . . . . . . . 4851 1 1242 . 1 1 116 116 ASP HB3 H 1 2.60 0.03 . 1 . . . . . . . . 4851 1 1243 . 1 1 116 116 ASP CA C 13 57.44 0.50 . 1 . . . . . . . . 4851 1 1244 . 1 1 116 116 ASP CB C 13 40.17 0.50 . 1 . . . . . . . . 4851 1 1245 . 1 1 116 116 ASP N N 15 118.55 0.25 . 1 . . . . . . . . 4851 1 1246 . 1 1 117 117 GLU H H 1 7.60 0.03 . 1 . . . . . . . . 4851 1 1247 . 1 1 117 117 GLU HA H 1 4.04 0.03 . 1 . . . . . . . . 4851 1 1248 . 1 1 117 117 GLU HB2 H 1 2.12 0.03 . 1 . . . . . . . . 4851 1 1249 . 1 1 117 117 GLU HB3 H 1 2.12 0.03 . 1 . . . . . . . . 4851 1 1250 . 1 1 117 117 GLU HG2 H 1 2.34 0.03 . 1 . . . . . . . . 4851 1 1251 . 1 1 117 117 GLU HG3 H 1 2.34 0.03 . 1 . . . . . . . . 4851 1 1252 . 1 1 117 117 GLU CA C 13 58.84 0.50 . 1 . . . . . . . . 4851 1 1253 . 1 1 117 117 GLU CB C 13 29.45 0.50 . 1 . . . . . . . . 4851 1 1254 . 1 1 117 117 GLU CG C 13 35.64 0.50 . 1 . . . . . . . . 4851 1 1255 . 1 1 117 117 GLU N N 15 118.56 0.25 . 1 . . . . . . . . 4851 1 1256 . 1 1 118 118 LEU H H 1 7.97 0.03 . 1 . . . . . . . . 4851 1 1257 . 1 1 118 118 LEU HA H 1 4.10 0.03 . 1 . . . . . . . . 4851 1 1258 . 1 1 118 118 LEU HB2 H 1 1.62 0.03 . 1 . . . . . . . . 4851 1 1259 . 1 1 118 118 LEU HB3 H 1 1.94 0.03 . 1 . . . . . . . . 4851 1 1260 . 1 1 118 118 LEU HG H 1 1.78 0.03 . 1 . . . . . . . . 4851 1 1261 . 1 1 118 118 LEU HD11 H 1 0.88 0.03 . 1 . . . . . . . . 4851 1 1262 . 1 1 118 118 LEU HD12 H 1 0.88 0.03 . 1 . . . . . . . . 4851 1 1263 . 1 1 118 118 LEU HD13 H 1 0.88 0.03 . 1 . . . . . . . . 4851 1 1264 . 1 1 118 118 LEU HD21 H 1 0.85 0.03 . 1 . . . . . . . . 4851 1 1265 . 1 1 118 118 LEU HD22 H 1 0.85 0.03 . 1 . . . . . . . . 4851 1 1266 . 1 1 118 118 LEU HD23 H 1 0.85 0.03 . 1 . . . . . . . . 4851 1 1267 . 1 1 118 118 LEU CA C 13 57.72 0.50 . 1 . . . . . . . . 4851 1 1268 . 1 1 118 118 LEU CB C 13 42.53 0.50 . 1 . . . . . . . . 4851 1 1269 . 1 1 118 118 LEU CG C 13 27.01 0.50 . 1 . . . . . . . . 4851 1 1270 . 1 1 118 118 LEU CD1 C 13 25.49 0.50 . 1 . . . . . . . . 4851 1 1271 . 1 1 118 118 LEU CD2 C 13 24.07 0.50 . 1 . . . . . . . . 4851 1 1272 . 1 1 118 118 LEU N N 15 121.06 0.25 . 1 . . . . . . . . 4851 1 1273 . 1 1 119 119 LEU H H 1 8.00 0.03 . 1 . . . . . . . . 4851 1 1274 . 1 1 119 119 LEU HA H 1 4.14 0.03 . 1 . . . . . . . . 4851 1 1275 . 1 1 119 119 LEU HB2 H 1 1.82 0.03 . 1 . . . . . . . . 4851 1 1276 . 1 1 119 119 LEU HB3 H 1 1.57 0.03 . 1 . . . . . . . . 4851 1 1277 . 1 1 119 119 LEU HG H 1 1.68 0.03 . 1 . . . . . . . . 4851 1 1278 . 1 1 119 119 LEU HD11 H 1 0.79 0.03 . 1 . . . . . . . . 4851 1 1279 . 1 1 119 119 LEU HD12 H 1 0.79 0.03 . 1 . . . . . . . . 4851 1 1280 . 1 1 119 119 LEU HD13 H 1 0.79 0.03 . 1 . . . . . . . . 4851 1 1281 . 1 1 119 119 LEU HD21 H 1 0.70 0.03 . 1 . . . . . . . . 4851 1 1282 . 1 1 119 119 LEU HD22 H 1 0.70 0.03 . 1 . . . . . . . . 4851 1 1283 . 1 1 119 119 LEU HD23 H 1 0.70 0.03 . 1 . . . . . . . . 4851 1 1284 . 1 1 119 119 LEU CA C 13 56.10 0.50 . 1 . . . . . . . . 4851 1 1285 . 1 1 119 119 LEU CB C 13 41.74 0.50 . 1 . . . . . . . . 4851 1 1286 . 1 1 119 119 LEU CG C 13 27.28 0.50 . 1 . . . . . . . . 4851 1 1287 . 1 1 119 119 LEU CD1 C 13 25.66 0.50 . 1 . . . . . . . . 4851 1 1288 . 1 1 119 119 LEU CD2 C 13 23.21 0.50 . 1 . . . . . . . . 4851 1 1289 . 1 1 119 119 LEU N N 15 115.99 0.25 . 1 . . . . . . . . 4851 1 1290 . 1 1 120 120 LYS H H 1 7.41 0.03 . 1 . . . . . . . . 4851 1 1291 . 1 1 120 120 LYS HA H 1 4.11 0.03 . 1 . . . . . . . . 4851 1 1292 . 1 1 120 120 LYS HB2 H 1 1.90 0.03 . 1 . . . . . . . . 4851 1 1293 . 1 1 120 120 LYS HB3 H 1 1.90 0.03 . 1 . . . . . . . . 4851 1 1294 . 1 1 120 120 LYS HG2 H 1 1.48 0.03 . 1 . . . . . . . . 4851 1 1295 . 1 1 120 120 LYS HG3 H 1 1.48 0.03 . 1 . . . . . . . . 4851 1 1296 . 1 1 120 120 LYS HD2 H 1 1.69 0.03 . 1 . . . . . . . . 4851 1 1297 . 1 1 120 120 LYS HD3 H 1 1.69 0.03 . 1 . . . . . . . . 4851 1 1298 . 1 1 120 120 LYS CA C 13 58.79 0.50 . 1 . . . . . . . . 4851 1 1299 . 1 1 120 120 LYS CB C 13 32.38 0.50 . 1 . . . . . . . . 4851 1 1300 . 1 1 120 120 LYS CG C 13 25.27 0.50 . 1 . . . . . . . . 4851 1 1301 . 1 1 120 120 LYS N N 15 118.98 0.25 . 1 . . . . . . . . 4851 1 1302 . 1 1 121 121 GLY H H 1 8.08 0.03 . 1 . . . . . . . . 4851 1 1303 . 1 1 121 121 GLY HA2 H 1 4.17 0.03 . 2 . . . . . . . . 4851 1 1304 . 1 1 121 121 GLY HA3 H 1 3.86 0.03 . 2 . . . . . . . . 4851 1 1305 . 1 1 121 121 GLY CA C 13 45.13 0.50 . 1 . . . . . . . . 4851 1 1306 . 1 1 121 121 GLY N N 15 106.59 0.25 . 1 . . . . . . . . 4851 1 1307 . 1 1 122 122 VAL H H 1 7.48 0.03 . 1 . . . . . . . . 4851 1 1308 . 1 1 122 122 VAL HA H 1 4.56 0.03 . 1 . . . . . . . . 4851 1 1309 . 1 1 122 122 VAL HB H 1 2.19 0.03 . 1 . . . . . . . . 4851 1 1310 . 1 1 122 122 VAL HG11 H 1 0.99 0.03 . 1 . . . . . . . . 4851 1 1311 . 1 1 122 122 VAL HG12 H 1 0.99 0.03 . 1 . . . . . . . . 4851 1 1312 . 1 1 122 122 VAL HG13 H 1 0.99 0.03 . 1 . . . . . . . . 4851 1 1313 . 1 1 122 122 VAL HG21 H 1 1.04 0.03 . 1 . . . . . . . . 4851 1 1314 . 1 1 122 122 VAL HG22 H 1 1.04 0.03 . 1 . . . . . . . . 4851 1 1315 . 1 1 122 122 VAL HG23 H 1 1.04 0.03 . 1 . . . . . . . . 4851 1 1316 . 1 1 122 122 VAL CA C 13 58.91 0.50 . 1 . . . . . . . . 4851 1 1317 . 1 1 122 122 VAL CB C 13 33.47 0.50 . 1 . . . . . . . . 4851 1 1318 . 1 1 122 122 VAL CG1 C 13 21.41 0.50 . 1 . . . . . . . . 4851 1 1319 . 1 1 122 122 VAL CG2 C 13 21.71 0.50 . 1 . . . . . . . . 4851 1 1320 . 1 1 122 122 VAL N N 15 120.27 0.25 . 1 . . . . . . . . 4851 1 1321 . 1 1 123 123 PRO HA H 1 4.46 0.03 . 1 . . . . . . . . 4851 1 1322 . 1 1 123 123 PRO HB2 H 1 2.19 0.03 . 2 . . . . . . . . 4851 1 1323 . 1 1 123 123 PRO HB3 H 1 1.94 0.03 . 2 . . . . . . . . 4851 1 1324 . 1 1 123 123 PRO HG2 H 1 2.00 0.03 . 1 . . . . . . . . 4851 1 1325 . 1 1 123 123 PRO HG3 H 1 2.00 0.03 . 1 . . . . . . . . 4851 1 1326 . 1 1 123 123 PRO HD2 H 1 3.95 0.03 . 2 . . . . . . . . 4851 1 1327 . 1 1 123 123 PRO HD3 H 1 3.65 0.03 . 2 . . . . . . . . 4851 1 1328 . 1 1 123 123 PRO CA C 13 63.08 0.50 . 1 . . . . . . . . 4851 1 1329 . 1 1 123 123 PRO CB C 13 31.68 0.50 . 1 . . . . . . . . 4851 1 1330 . 1 1 123 123 PRO CG C 13 27.70 0.50 . 1 . . . . . . . . 4851 1 1331 . 1 1 123 123 PRO CD C 13 51.15 0.50 . 1 . . . . . . . . 4851 1 1332 . 1 1 124 124 VAL H H 1 8.18 0.03 . 1 . . . . . . . . 4851 1 1333 . 1 1 124 124 VAL HA H 1 4.45 0.03 . 1 . . . . . . . . 4851 1 1334 . 1 1 124 124 VAL HB H 1 1.89 0.03 . 1 . . . . . . . . 4851 1 1335 . 1 1 124 124 VAL HG11 H 1 0.87 0.03 . 1 . . . . . . . . 4851 1 1336 . 1 1 124 124 VAL HG12 H 1 0.87 0.03 . 1 . . . . . . . . 4851 1 1337 . 1 1 124 124 VAL HG13 H 1 0.87 0.03 . 1 . . . . . . . . 4851 1 1338 . 1 1 124 124 VAL HG21 H 1 0.79 0.03 . 1 . . . . . . . . 4851 1 1339 . 1 1 124 124 VAL HG22 H 1 0.79 0.03 . 1 . . . . . . . . 4851 1 1340 . 1 1 124 124 VAL HG23 H 1 0.79 0.03 . 1 . . . . . . . . 4851 1 1341 . 1 1 124 124 VAL CA C 13 61.18 0.50 . 1 . . . . . . . . 4851 1 1342 . 1 1 124 124 VAL CB C 13 33.64 0.50 . 1 . . . . . . . . 4851 1 1343 . 1 1 124 124 VAL CG1 C 13 20.50 0.50 . 1 . . . . . . . . 4851 1 1344 . 1 1 124 124 VAL CG2 C 13 21.09 0.50 . 1 . . . . . . . . 4851 1 1345 . 1 1 124 124 VAL N N 15 124.05 0.25 . 1 . . . . . . . . 4851 1 1346 . 1 1 125 125 LYS H H 1 8.75 0.03 . 1 . . . . . . . . 4851 1 1347 . 1 1 125 125 LYS HA H 1 4.62 0.03 . 1 . . . . . . . . 4851 1 1348 . 1 1 125 125 LYS HB2 H 1 1.65 0.03 . 2 . . . . . . . . 4851 1 1349 . 1 1 125 125 LYS HB3 H 1 1.74 0.03 . 2 . . . . . . . . 4851 1 1350 . 1 1 125 125 LYS HG2 H 1 1.36 0.03 . 2 . . . . . . . . 4851 1 1351 . 1 1 125 125 LYS HG3 H 1 1.31 0.03 . 2 . . . . . . . . 4851 1 1352 . 1 1 125 125 LYS HD2 H 1 1.91 0.03 . 1 . . . . . . . . 4851 1 1353 . 1 1 125 125 LYS HD3 H 1 1.91 0.03 . 1 . . . . . . . . 4851 1 1354 . 1 1 125 125 LYS HE2 H 1 2.99 0.03 . 1 . . . . . . . . 4851 1 1355 . 1 1 125 125 LYS HE3 H 1 2.99 0.03 . 1 . . . . . . . . 4851 1 1356 . 1 1 125 125 LYS CA C 13 55.06 0.50 . 1 . . . . . . . . 4851 1 1357 . 1 1 125 125 LYS CB C 13 34.13 0.50 . 1 . . . . . . . . 4851 1 1358 . 1 1 125 125 LYS CG C 13 24.55 0.50 . 1 . . . . . . . . 4851 1 1359 . 1 1 125 125 LYS CD C 13 29.06 0.50 . 1 . . . . . . . . 4851 1 1360 . 1 1 125 125 LYS CE C 13 42.29 0.50 . 1 . . . . . . . . 4851 1 1361 . 1 1 125 125 LYS N N 15 127.96 0.25 . 1 . . . . . . . . 4851 1 1362 . 1 1 126 126 ASP H H 1 9.38 0.03 . 1 . . . . . . . . 4851 1 1363 . 1 1 126 126 ASP HA H 1 4.30 0.03 . 1 . . . . . . . . 4851 1 1364 . 1 1 126 126 ASP HB2 H 1 2.90 0.03 . 2 . . . . . . . . 4851 1 1365 . 1 1 126 126 ASP HB3 H 1 2.64 0.03 . 2 . . . . . . . . 4851 1 1366 . 1 1 126 126 ASP CA C 13 55.38 0.50 . 1 . . . . . . . . 4851 1 1367 . 1 1 126 126 ASP CB C 13 39.84 0.50 . 1 . . . . . . . . 4851 1 1368 . 1 1 126 126 ASP N N 15 127.96 0.25 . 1 . . . . . . . . 4851 1 1369 . 1 1 127 127 GLY H H 1 8.26 0.03 . 1 . . . . . . . . 4851 1 1370 . 1 1 127 127 GLY HA2 H 1 4.12 0.03 . 2 . . . . . . . . 4851 1 1371 . 1 1 127 127 GLY HA3 H 1 3.58 0.03 . 2 . . . . . . . . 4851 1 1372 . 1 1 127 127 GLY CA C 13 45.66 0.50 . 1 . . . . . . . . 4851 1 1373 . 1 1 127 127 GLY N N 15 102.30 0.25 . 1 . . . . . . . . 4851 1 1374 . 1 1 128 128 MET H H 1 7.86 0.03 . 1 . . . . . . . . 4851 1 1375 . 1 1 128 128 MET HA H 1 5.31 0.03 . 1 . . . . . . . . 4851 1 1376 . 1 1 128 128 MET HB2 H 1 2.65 0.03 . 1 . . . . . . . . 4851 1 1377 . 1 1 128 128 MET HB3 H 1 2.37 0.03 . 1 . . . . . . . . 4851 1 1378 . 1 1 128 128 MET HG2 H 1 2.17 0.03 . 2 . . . . . . . . 4851 1 1379 . 1 1 128 128 MET HG3 H 1 1.81 0.03 . 2 . . . . . . . . 4851 1 1380 . 1 1 128 128 MET CA C 13 53.58 0.50 . 1 . . . . . . . . 4851 1 1381 . 1 1 128 128 MET CB C 13 31.84 0.50 . 1 . . . . . . . . 4851 1 1382 . 1 1 128 128 MET N N 15 119.03 0.25 . 1 . . . . . . . . 4851 1 1383 . 1 1 129 129 VAL H H 1 9.26 0.03 . 1 . . . . . . . . 4851 1 1384 . 1 1 129 129 VAL HA H 1 4.54 0.03 . 1 . . . . . . . . 4851 1 1385 . 1 1 129 129 VAL HB H 1 1.81 0.03 . 1 . . . . . . . . 4851 1 1386 . 1 1 129 129 VAL HG11 H 1 0.74 0.03 . 1 . . . . . . . . 4851 1 1387 . 1 1 129 129 VAL HG12 H 1 0.74 0.03 . 1 . . . . . . . . 4851 1 1388 . 1 1 129 129 VAL HG13 H 1 0.74 0.03 . 1 . . . . . . . . 4851 1 1389 . 1 1 129 129 VAL HG21 H 1 0.74 0.03 . 1 . . . . . . . . 4851 1 1390 . 1 1 129 129 VAL HG22 H 1 0.74 0.03 . 1 . . . . . . . . 4851 1 1391 . 1 1 129 129 VAL HG23 H 1 0.74 0.03 . 1 . . . . . . . . 4851 1 1392 . 1 1 129 129 VAL CA C 13 59.32 0.50 . 1 . . . . . . . . 4851 1 1393 . 1 1 129 129 VAL CB C 13 35.84 0.50 . 1 . . . . . . . . 4851 1 1394 . 1 1 129 129 VAL CG1 C 13 21.32 0.50 . 1 . . . . . . . . 4851 1 1395 . 1 1 129 129 VAL CG2 C 13 21.32 0.50 . 1 . . . . . . . . 4851 1 1396 . 1 1 129 129 VAL N N 15 117.70 0.25 . 1 . . . . . . . . 4851 1 1397 . 1 1 130 130 ASN H H 1 8.95 0.03 . 1 . . . . . . . . 4851 1 1398 . 1 1 130 130 ASN HA H 1 5.27 0.03 . 1 . . . . . . . . 4851 1 1399 . 1 1 130 130 ASN HB2 H 1 2.58 0.03 . 1 . . . . . . . . 4851 1 1400 . 1 1 130 130 ASN HB3 H 1 3.00 0.03 . 1 . . . . . . . . 4851 1 1401 . 1 1 130 130 ASN HD21 H 1 6.92 0.03 . 2 . . . . . . . . 4851 1 1402 . 1 1 130 130 ASN HD22 H 1 7.32 0.03 . 2 . . . . . . . . 4851 1 1403 . 1 1 130 130 ASN CA C 13 52.97 0.50 . 1 . . . . . . . . 4851 1 1404 . 1 1 130 130 ASN CB C 13 38.78 0.50 . 1 . . . . . . . . 4851 1 1405 . 1 1 130 130 ASN N N 15 124.12 0.25 . 1 . . . . . . . . 4851 1 1406 . 1 1 130 130 ASN ND2 N 15 112.57 0.25 . 1 . . . . . . . . 4851 1 1407 . 1 1 131 131 TYR H H 1 8.22 0.03 . 1 . . . . . . . . 4851 1 1408 . 1 1 131 131 TYR HA H 1 4.73 0.03 . 1 . . . . . . . . 4851 1 1409 . 1 1 131 131 TYR HB2 H 1 3.94 0.03 . 2 . . . . . . . . 4851 1 1410 . 1 1 131 131 TYR HB3 H 1 3.75 0.03 . 2 . . . . . . . . 4851 1 1411 . 1 1 131 131 TYR HD1 H 1 6.62 0.03 . 1 . . . . . . . . 4851 1 1412 . 1 1 131 131 TYR HD2 H 1 6.62 0.03 . 1 . . . . . . . . 4851 1 1413 . 1 1 131 131 TYR HE1 H 1 6.61 0.03 . 1 . . . . . . . . 4851 1 1414 . 1 1 131 131 TYR HE2 H 1 6.61 0.03 . 1 . . . . . . . . 4851 1 1415 . 1 1 131 131 TYR CA C 13 59.93 0.50 . 1 . . . . . . . . 4851 1 1416 . 1 1 131 131 TYR CB C 13 37.28 0.50 . 1 . . . . . . . . 4851 1 1417 . 1 1 131 131 TYR CD1 C 13 133.42 0.50 . 1 . . . . . . . . 4851 1 1418 . 1 1 131 131 TYR CD2 C 13 133.42 0.50 . 1 . . . . . . . . 4851 1 1419 . 1 1 131 131 TYR CE1 C 13 117.64 0.50 . 1 . . . . . . . . 4851 1 1420 . 1 1 131 131 TYR CE2 C 13 117.64 0.50 . 1 . . . . . . . . 4851 1 1421 . 1 1 131 131 TYR N N 15 125.40 0.25 . 1 . . . . . . . . 4851 1 1422 . 1 1 132 132 HIS H H 1 8.20 0.03 . 1 . . . . . . . . 4851 1 1423 . 1 1 132 132 HIS HA H 1 4.25 0.03 . 1 . . . . . . . . 4851 1 1424 . 1 1 132 132 HIS HB2 H 1 3.29 0.03 . 2 . . . . . . . . 4851 1 1425 . 1 1 132 132 HIS HB3 H 1 3.21 0.03 . 2 . . . . . . . . 4851 1 1426 . 1 1 132 132 HIS HD2 H 1 7.10 0.03 . 1 . . . . . . . . 4851 1 1427 . 1 1 132 132 HIS HE1 H 1 8.32 0.03 . 1 . . . . . . . . 4851 1 1428 . 1 1 132 132 HIS CA C 13 59.72 0.50 . 1 . . . . . . . . 4851 1 1429 . 1 1 132 132 HIS CB C 13 28.20 0.50 . 1 . . . . . . . . 4851 1 1430 . 1 1 132 132 HIS CD2 C 13 120.09 0.50 . 1 . . . . . . . . 4851 1 1431 . 1 1 132 132 HIS CE1 C 13 137.32 0.50 . 1 . . . . . . . . 4851 1 1432 . 1 1 132 132 HIS N N 15 122.40 0.25 . 1 . . . . . . . . 4851 1 1433 . 1 1 132 132 HIS ND1 N 15 196.00 0.25 . 1 . . . . . . . . 4851 1 1434 . 1 1 132 132 HIS NE2 N 15 177.00 0.25 . 1 . . . . . . . . 4851 1 1435 . 1 1 133 133 ASP H H 1 8.20 0.03 . 1 . . . . . . . . 4851 1 1436 . 1 1 133 133 ASP HA H 1 4.33 0.03 . 1 . . . . . . . . 4851 1 1437 . 1 1 133 133 ASP HB2 H 1 2.73 0.03 . 1 . . . . . . . . 4851 1 1438 . 1 1 133 133 ASP HB3 H 1 2.73 0.03 . 1 . . . . . . . . 4851 1 1439 . 1 1 133 133 ASP CA C 13 56.87 0.50 . 1 . . . . . . . . 4851 1 1440 . 1 1 133 133 ASP CB C 13 39.74 0.50 . 1 . . . . . . . . 4851 1 1441 . 1 1 133 133 ASP N N 15 120.28 0.25 . 1 . . . . . . . . 4851 1 1442 . 1 1 134 134 PHE H H 1 7.95 0.03 . 1 . . . . . . . . 4851 1 1443 . 1 1 134 134 PHE HA H 1 4.12 0.03 . 1 . . . . . . . . 4851 1 1444 . 1 1 134 134 PHE HB2 H 1 3.07 0.03 . 2 . . . . . . . . 4851 1 1445 . 1 1 134 134 PHE HB3 H 1 3.00 0.03 . 2 . . . . . . . . 4851 1 1446 . 1 1 134 134 PHE HD1 H 1 7.00 0.03 . 1 . . . . . . . . 4851 1 1447 . 1 1 134 134 PHE HD2 H 1 7.00 0.03 . 1 . . . . . . . . 4851 1 1448 . 1 1 134 134 PHE HE1 H 1 7.20 0.03 . 1 . . . . . . . . 4851 1 1449 . 1 1 134 134 PHE HE2 H 1 7.20 0.03 . 1 . . . . . . . . 4851 1 1450 . 1 1 134 134 PHE HZ H 1 7.27 0.03 . 1 . . . . . . . . 4851 1 1451 . 1 1 134 134 PHE CA C 13 61.59 0.50 . 1 . . . . . . . . 4851 1 1452 . 1 1 134 134 PHE CB C 13 39.66 0.50 . 1 . . . . . . . . 4851 1 1453 . 1 1 134 134 PHE CD1 C 13 130.76 0.50 . 1 . . . . . . . . 4851 1 1454 . 1 1 134 134 PHE CD2 C 13 130.76 0.50 . 1 . . . . . . . . 4851 1 1455 . 1 1 134 134 PHE CE1 C 13 130.72 0.50 . 1 . . . . . . . . 4851 1 1456 . 1 1 134 134 PHE CE2 C 13 130.72 0.50 . 1 . . . . . . . . 4851 1 1457 . 1 1 134 134 PHE CZ C 13 131.02 0.50 . 1 . . . . . . . . 4851 1 1458 . 1 1 134 134 PHE N N 15 120.27 0.25 . 1 . . . . . . . . 4851 1 1459 . 1 1 135 135 VAL H H 1 8.29 0.03 . 1 . . . . . . . . 4851 1 1460 . 1 1 135 135 VAL HA H 1 3.42 0.03 . 1 . . . . . . . . 4851 1 1461 . 1 1 135 135 VAL HB H 1 2.21 0.03 . 1 . . . . . . . . 4851 1 1462 . 1 1 135 135 VAL HG11 H 1 1.00 0.03 . 1 . . . . . . . . 4851 1 1463 . 1 1 135 135 VAL HG12 H 1 1.00 0.03 . 1 . . . . . . . . 4851 1 1464 . 1 1 135 135 VAL HG13 H 1 1.00 0.03 . 1 . . . . . . . . 4851 1 1465 . 1 1 135 135 VAL HG21 H 1 1.17 0.03 . 1 . . . . . . . . 4851 1 1466 . 1 1 135 135 VAL HG22 H 1 1.17 0.03 . 1 . . . . . . . . 4851 1 1467 . 1 1 135 135 VAL HG23 H 1 1.17 0.03 . 1 . . . . . . . . 4851 1 1468 . 1 1 135 135 VAL CA C 13 66.58 0.50 . 1 . . . . . . . . 4851 1 1469 . 1 1 135 135 VAL CB C 13 31.63 0.50 . 1 . . . . . . . . 4851 1 1470 . 1 1 135 135 VAL CG1 C 13 21.76 0.50 . 1 . . . . . . . . 4851 1 1471 . 1 1 135 135 VAL CG2 C 13 23.71 0.50 . 1 . . . . . . . . 4851 1 1472 . 1 1 135 135 VAL N N 15 118.06 0.25 . 1 . . . . . . . . 4851 1 1473 . 1 1 136 136 GLN H H 1 7.67 0.03 . 1 . . . . . . . . 4851 1 1474 . 1 1 136 136 GLN HA H 1 3.94 0.03 . 1 . . . . . . . . 4851 1 1475 . 1 1 136 136 GLN HB2 H 1 2.09 0.03 . 1 . . . . . . . . 4851 1 1476 . 1 1 136 136 GLN HB3 H 1 2.09 0.03 . 1 . . . . . . . . 4851 1 1477 . 1 1 136 136 GLN HG2 H 1 2.38 0.03 . 1 . . . . . . . . 4851 1 1478 . 1 1 136 136 GLN HG3 H 1 2.38 0.03 . 1 . . . . . . . . 4851 1 1479 . 1 1 136 136 GLN HE21 H 1 7.44 0.03 . 2 . . . . . . . . 4851 1 1480 . 1 1 136 136 GLN HE22 H 1 6.81 0.03 . 2 . . . . . . . . 4851 1 1481 . 1 1 136 136 GLN CA C 13 58.36 0.50 . 1 . . . . . . . . 4851 1 1482 . 1 1 136 136 GLN CB C 13 28.44 0.50 . 1 . . . . . . . . 4851 1 1483 . 1 1 136 136 GLN CG C 13 33.96 0.50 . 1 . . . . . . . . 4851 1 1484 . 1 1 136 136 GLN N N 15 116.77 0.25 . 1 . . . . . . . . 4851 1 1485 . 1 1 136 136 GLN NE2 N 15 111.51 0.25 . 1 . . . . . . . . 4851 1 1486 . 1 1 137 137 MET H H 1 7.61 0.03 . 1 . . . . . . . . 4851 1 1487 . 1 1 137 137 MET HA H 1 4.14 0.03 . 1 . . . . . . . . 4851 1 1488 . 1 1 137 137 MET HB2 H 1 2.61 0.03 . 1 . . . . . . . . 4851 1 1489 . 1 1 137 137 MET HB3 H 1 2.43 0.03 . 1 . . . . . . . . 4851 1 1490 . 1 1 137 137 MET HG2 H 1 2.04 0.03 . 1 . . . . . . . . 4851 1 1491 . 1 1 137 137 MET HG3 H 1 2.04 0.03 . 1 . . . . . . . . 4851 1 1492 . 1 1 137 137 MET CA C 13 58.00 0.50 . 1 . . . . . . . . 4851 1 1493 . 1 1 137 137 MET CB C 13 32.53 0.50 . 1 . . . . . . . . 4851 1 1494 . 1 1 137 137 MET CG C 13 31.95 0.50 . 1 . . . . . . . . 4851 1 1495 . 1 1 137 137 MET N N 15 116.85 0.25 . 1 . . . . . . . . 4851 1 1496 . 1 1 138 138 ILE H H 1 7.56 0.03 . 1 . . . . . . . . 4851 1 1497 . 1 1 138 138 ILE HA H 1 3.92 0.03 . 1 . . . . . . . . 4851 1 1498 . 1 1 138 138 ILE HB H 1 1.75 0.03 . 1 . . . . . . . . 4851 1 1499 . 1 1 138 138 ILE HG12 H 1 1.20 0.03 . 2 . . . . . . . . 4851 1 1500 . 1 1 138 138 ILE HG13 H 1 1.03 0.03 . 2 . . . . . . . . 4851 1 1501 . 1 1 138 138 ILE HD11 H 1 0.63 0.03 . 1 . . . . . . . . 4851 1 1502 . 1 1 138 138 ILE HD12 H 1 0.63 0.03 . 1 . . . . . . . . 4851 1 1503 . 1 1 138 138 ILE HD13 H 1 0.63 0.03 . 1 . . . . . . . . 4851 1 1504 . 1 1 138 138 ILE HG21 H 1 0.67 0.03 . 1 . . . . . . . . 4851 1 1505 . 1 1 138 138 ILE HG22 H 1 0.67 0.03 . 1 . . . . . . . . 4851 1 1506 . 1 1 138 138 ILE HG23 H 1 0.67 0.03 . 1 . . . . . . . . 4851 1 1507 . 1 1 138 138 ILE CA C 13 62.69 0.50 . 1 . . . . . . . . 4851 1 1508 . 1 1 138 138 ILE CB C 13 37.75 0.50 . 1 . . . . . . . . 4851 1 1509 . 1 1 138 138 ILE CG1 C 13 27.20 0.50 . 1 . . . . . . . . 4851 1 1510 . 1 1 138 138 ILE CD1 C 13 12.95 0.50 . 1 . . . . . . . . 4851 1 1511 . 1 1 138 138 ILE CG2 C 13 17.81 0.50 . 1 . . . . . . . . 4851 1 1512 . 1 1 138 138 ILE N N 15 116.47 0.25 . 1 . . . . . . . . 4851 1 1513 . 1 1 139 139 LEU H H 1 7.67 0.03 . 1 . . . . . . . . 4851 1 1514 . 1 1 139 139 LEU HA H 1 4.27 0.03 . 1 . . . . . . . . 4851 1 1515 . 1 1 139 139 LEU HB2 H 1 1.69 0.03 . 1 . . . . . . . . 4851 1 1516 . 1 1 139 139 LEU HB3 H 1 1.53 0.03 . 1 . . . . . . . . 4851 1 1517 . 1 1 139 139 LEU HG H 1 1.53 0.03 . 1 . . . . . . . . 4851 1 1518 . 1 1 139 139 LEU HD11 H 1 0.78 0.03 . 1 . . . . . . . . 4851 1 1519 . 1 1 139 139 LEU HD12 H 1 0.78 0.03 . 1 . . . . . . . . 4851 1 1520 . 1 1 139 139 LEU HD13 H 1 0.78 0.03 . 1 . . . . . . . . 4851 1 1521 . 1 1 139 139 LEU HD21 H 1 0.78 0.03 . 1 . . . . . . . . 4851 1 1522 . 1 1 139 139 LEU HD22 H 1 0.78 0.03 . 1 . . . . . . . . 4851 1 1523 . 1 1 139 139 LEU HD23 H 1 0.78 0.03 . 1 . . . . . . . . 4851 1 1524 . 1 1 139 139 LEU CA C 13 55.41 0.50 . 1 . . . . . . . . 4851 1 1525 . 1 1 139 139 LEU CB C 13 41.97 0.50 . 1 . . . . . . . . 4851 1 1526 . 1 1 139 139 LEU CG C 13 26.49 0.50 . 1 . . . . . . . . 4851 1 1527 . 1 1 139 139 LEU CD1 C 13 25.62 0.50 . 1 . . . . . . . . 4851 1 1528 . 1 1 139 139 LEU CD2 C 13 22.58 0.50 . 1 . . . . . . . . 4851 1 1529 . 1 1 139 139 LEU N N 15 119.84 0.25 . 1 . . . . . . . . 4851 1 1530 . 1 1 140 140 ALA H H 1 7.56 0.03 . 1 . . . . . . . . 4851 1 1531 . 1 1 140 140 ALA HA H 1 4.30 0.03 . 1 . . . . . . . . 4851 1 1532 . 1 1 140 140 ALA HB1 H 1 1.42 0.03 . 1 . . . . . . . . 4851 1 1533 . 1 1 140 140 ALA HB2 H 1 1.42 0.03 . 1 . . . . . . . . 4851 1 1534 . 1 1 140 140 ALA HB3 H 1 1.42 0.03 . 1 . . . . . . . . 4851 1 1535 . 1 1 140 140 ALA CA C 13 52.59 0.50 . 1 . . . . . . . . 4851 1 1536 . 1 1 140 140 ALA CB C 13 19.16 0.50 . 1 . . . . . . . . 4851 1 1537 . 1 1 140 140 ALA N N 15 122.41 0.25 . 1 . . . . . . . . 4851 1 1538 . 1 1 141 141 ASN H H 1 7.72 0.03 . 1 . . . . . . . . 4851 1 1539 . 1 1 141 141 ASN HA H 1 4.47 0.03 . 1 . . . . . . . . 4851 1 1540 . 1 1 141 141 ASN HB2 H 1 2.75 0.03 . 2 . . . . . . . . 4851 1 1541 . 1 1 141 141 ASN HB3 H 1 2.67 0.03 . 2 . . . . . . . . 4851 1 1542 . 1 1 141 141 ASN HD21 H 1 7.50 0.03 . 2 . . . . . . . . 4851 1 1543 . 1 1 141 141 ASN HD22 H 1 6.76 0.03 . 2 . . . . . . . . 4851 1 1544 . 1 1 141 141 ASN CA C 13 54.78 0.50 . 1 . . . . . . . . 4851 1 1545 . 1 1 141 141 ASN CB C 13 40.76 0.50 . 1 . . . . . . . . 4851 1 1546 . 1 1 141 141 ASN N N 15 123.26 0.25 . 1 . . . . . . . . 4851 1 1547 . 1 1 141 141 ASN ND2 N 15 112.20 0.25 . 1 . . . . . . . . 4851 1 stop_ save_