data_4053 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4053 _Entry.Title ; Solution structures of Staphylococcal Nuclease from multidimensional, multinuclear NMR: nuclease-H124L and its ternary complex with Ca2+ and Thymidine-3'-5'-bisphosphate ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1997-08-01 _Entry.Accession_date 1997-08-15 _Entry.Last_release_date 1997-08-01 _Entry.Original_release_date 1997-08-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 Jinfeng Wang . . . . 4053 2 Dagmar Truckses . M. . . 4053 3 Frits Abildgaard . . . . 4053 4 Zeljko Dzakula . . . . 4053 5 Zsolt Zolnai . . . . 4053 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4053 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 541 4053 '15N chemical shifts' 137 4053 '1H chemical shifts' 990 4053 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 . . 2002-06-03 . original BMRB . 4053 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4052 'SNS free form.' 4053 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4053 _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 ; Solution structures of Staphylococcal Nuclease from multidimensional, multinuclear NMR: nuclease-H124L and its ternary complex with Ca2+ and Thymidine-3'-5'-bisphosphate ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 2 _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 143 _Citation.Page_last 164 _Citation.Year 1997 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jinfeng Wang . . . . 4053 1 2 Dagmar Truckses . M. . . 4053 1 3 Frits Abildgaard . . . . 4053 1 4 Zeljko Dzakula . . . . 4053 1 5 Zsolt Zolnai . . . . 4053 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR, nuclear magnetic resonance' 4053 1 nuclease-H124L 4053 1 'staphylococcal nuclease' 4053 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_staph-nucl-H124L_pdTp_Ca2+_complex _Assembly.Sf_category assembly _Assembly.Sf_framecode staph-nucl-H124L_pdTp_Ca2+_complex _Assembly.Entry_ID 4053 _Assembly.ID 1 _Assembly.Name 'staphylococcal nuclease' _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 'not present' _Assembly.Molecular_mass 17171 _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 complex 4053 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 'Staphylococcal nuclease H124L' 1 $staph-nucl-H124L . . . native . . . . . 4053 1 2 "thymidine-3',-5'-bisphosphate (pdTp)" 3 $entity_THP . . . native . . . . . 4053 1 3 'Calcium ion' 2 $CA . . . native . . . . . 4053 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'staph-nucl-H124L pdTp Ca2+ complex' abbreviation 4053 1 'staphylococcal nuclease' system 4053 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_staph-nucl-H124L _Entity.Sf_category entity _Entity.Sf_framecode staph-nucl-H124L _Entity.Entry_ID 4053 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'staphylococcal nuclease' _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 ; ATSTKKLHKEPATLIKAIDG DTVKLMYKGQPMTFRLLLVD TPETKHPKKGVEKYGPEASA FTKKMVENAKKIEVEFDKGQ RTDKYGRGLAYIYADGKMVN EALVRQGLAKVAYVYKPNNT HEQLLRKSEAQAKKEKLNIW SEDNADSGQ ; _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 149 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16807 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Staphylococcal nuclease is a Ca2+ activated phosphodiesterase (extracellular) which degrades both DNA and RNA to 3' nucleotides. ; 4053 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID nuclease-H124L abbreviation 4053 1 'staphylococcal nuclease' common 4053 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 . ALA . 4053 1 2 . THR . 4053 1 3 . SER . 4053 1 4 . THR . 4053 1 5 . LYS . 4053 1 6 . LYS . 4053 1 7 . LEU . 4053 1 8 . HIS . 4053 1 9 . LYS . 4053 1 10 . GLU . 4053 1 11 . PRO . 4053 1 12 . ALA . 4053 1 13 . THR . 4053 1 14 . LEU . 4053 1 15 . ILE . 4053 1 16 . LYS . 4053 1 17 . ALA . 4053 1 18 . ILE . 4053 1 19 . ASP . 4053 1 20 . GLY . 4053 1 21 . ASP . 4053 1 22 . THR . 4053 1 23 . VAL . 4053 1 24 . LYS . 4053 1 25 . LEU . 4053 1 26 . MET . 4053 1 27 . TYR . 4053 1 28 . LYS . 4053 1 29 . GLY . 4053 1 30 . GLN . 4053 1 31 . PRO . 4053 1 32 . MET . 4053 1 33 . THR . 4053 1 34 . PHE . 4053 1 35 . ARG . 4053 1 36 . LEU . 4053 1 37 . LEU . 4053 1 38 . LEU . 4053 1 39 . VAL . 4053 1 40 . ASP . 4053 1 41 . THR . 4053 1 42 . PRO . 4053 1 43 . GLU . 4053 1 44 . THR . 4053 1 45 . LYS . 4053 1 46 . HIS . 4053 1 47 . PRO . 4053 1 48 . LYS . 4053 1 49 . LYS . 4053 1 50 . GLY . 4053 1 51 . VAL . 4053 1 52 . GLU . 4053 1 53 . LYS . 4053 1 54 . TYR . 4053 1 55 . GLY . 4053 1 56 . PRO . 4053 1 57 . GLU . 4053 1 58 . ALA . 4053 1 59 . SER . 4053 1 60 . ALA . 4053 1 61 . PHE . 4053 1 62 . THR . 4053 1 63 . LYS . 4053 1 64 . LYS . 4053 1 65 . MET . 4053 1 66 . VAL . 4053 1 67 . GLU . 4053 1 68 . ASN . 4053 1 69 . ALA . 4053 1 70 . LYS . 4053 1 71 . LYS . 4053 1 72 . ILE . 4053 1 73 . GLU . 4053 1 74 . VAL . 4053 1 75 . GLU . 4053 1 76 . PHE . 4053 1 77 . ASP . 4053 1 78 . LYS . 4053 1 79 . GLY . 4053 1 80 . GLN . 4053 1 81 . ARG . 4053 1 82 . THR . 4053 1 83 . ASP . 4053 1 84 . LYS . 4053 1 85 . TYR . 4053 1 86 . GLY . 4053 1 87 . ARG . 4053 1 88 . GLY . 4053 1 89 . LEU . 4053 1 90 . ALA . 4053 1 91 . TYR . 4053 1 92 . ILE . 4053 1 93 . TYR . 4053 1 94 . ALA . 4053 1 95 . ASP . 4053 1 96 . GLY . 4053 1 97 . LYS . 4053 1 98 . MET . 4053 1 99 . VAL . 4053 1 100 . ASN . 4053 1 101 . GLU . 4053 1 102 . ALA . 4053 1 103 . LEU . 4053 1 104 . VAL . 4053 1 105 . ARG . 4053 1 106 . GLN . 4053 1 107 . GLY . 4053 1 108 . LEU . 4053 1 109 . ALA . 4053 1 110 . LYS . 4053 1 111 . VAL . 4053 1 112 . ALA . 4053 1 113 . TYR . 4053 1 114 . VAL . 4053 1 115 . TYR . 4053 1 116 . LYS . 4053 1 117 . PRO . 4053 1 118 . ASN . 4053 1 119 . ASN . 4053 1 120 . THR . 4053 1 121 . HIS . 4053 1 122 . GLU . 4053 1 123 . GLN . 4053 1 124 . LEU . 4053 1 125 . LEU . 4053 1 126 . ARG . 4053 1 127 . LYS . 4053 1 128 . SER . 4053 1 129 . GLU . 4053 1 130 . ALA . 4053 1 131 . GLN . 4053 1 132 . ALA . 4053 1 133 . LYS . 4053 1 134 . LYS . 4053 1 135 . GLU . 4053 1 136 . LYS . 4053 1 137 . LEU . 4053 1 138 . ASN . 4053 1 139 . ILE . 4053 1 140 . TRP . 4053 1 141 . SER . 4053 1 142 . GLU . 4053 1 143 . ASP . 4053 1 144 . ASN . 4053 1 145 . ALA . 4053 1 146 . ASP . 4053 1 147 . SER . 4053 1 148 . GLY . 4053 1 149 . GLN . 4053 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 . ALA 1 1 4053 1 . THR 2 2 4053 1 . SER 3 3 4053 1 . THR 4 4 4053 1 . LYS 5 5 4053 1 . LYS 6 6 4053 1 . LEU 7 7 4053 1 . HIS 8 8 4053 1 . LYS 9 9 4053 1 . GLU 10 10 4053 1 . PRO 11 11 4053 1 . ALA 12 12 4053 1 . THR 13 13 4053 1 . LEU 14 14 4053 1 . ILE 15 15 4053 1 . LYS 16 16 4053 1 . ALA 17 17 4053 1 . ILE 18 18 4053 1 . ASP 19 19 4053 1 . GLY 20 20 4053 1 . ASP 21 21 4053 1 . THR 22 22 4053 1 . VAL 23 23 4053 1 . LYS 24 24 4053 1 . LEU 25 25 4053 1 . MET 26 26 4053 1 . TYR 27 27 4053 1 . LYS 28 28 4053 1 . GLY 29 29 4053 1 . GLN 30 30 4053 1 . PRO 31 31 4053 1 . MET 32 32 4053 1 . THR 33 33 4053 1 . PHE 34 34 4053 1 . ARG 35 35 4053 1 . LEU 36 36 4053 1 . LEU 37 37 4053 1 . LEU 38 38 4053 1 . VAL 39 39 4053 1 . ASP 40 40 4053 1 . THR 41 41 4053 1 . PRO 42 42 4053 1 . GLU 43 43 4053 1 . THR 44 44 4053 1 . LYS 45 45 4053 1 . HIS 46 46 4053 1 . PRO 47 47 4053 1 . LYS 48 48 4053 1 . LYS 49 49 4053 1 . GLY 50 50 4053 1 . VAL 51 51 4053 1 . GLU 52 52 4053 1 . LYS 53 53 4053 1 . TYR 54 54 4053 1 . GLY 55 55 4053 1 . PRO 56 56 4053 1 . GLU 57 57 4053 1 . ALA 58 58 4053 1 . SER 59 59 4053 1 . ALA 60 60 4053 1 . PHE 61 61 4053 1 . THR 62 62 4053 1 . LYS 63 63 4053 1 . LYS 64 64 4053 1 . MET 65 65 4053 1 . VAL 66 66 4053 1 . GLU 67 67 4053 1 . ASN 68 68 4053 1 . ALA 69 69 4053 1 . LYS 70 70 4053 1 . LYS 71 71 4053 1 . ILE 72 72 4053 1 . GLU 73 73 4053 1 . VAL 74 74 4053 1 . GLU 75 75 4053 1 . PHE 76 76 4053 1 . ASP 77 77 4053 1 . LYS 78 78 4053 1 . GLY 79 79 4053 1 . GLN 80 80 4053 1 . ARG 81 81 4053 1 . THR 82 82 4053 1 . ASP 83 83 4053 1 . LYS 84 84 4053 1 . TYR 85 85 4053 1 . GLY 86 86 4053 1 . ARG 87 87 4053 1 . GLY 88 88 4053 1 . LEU 89 89 4053 1 . ALA 90 90 4053 1 . TYR 91 91 4053 1 . ILE 92 92 4053 1 . TYR 93 93 4053 1 . ALA 94 94 4053 1 . ASP 95 95 4053 1 . GLY 96 96 4053 1 . LYS 97 97 4053 1 . MET 98 98 4053 1 . VAL 99 99 4053 1 . ASN 100 100 4053 1 . GLU 101 101 4053 1 . ALA 102 102 4053 1 . LEU 103 103 4053 1 . VAL 104 104 4053 1 . ARG 105 105 4053 1 . GLN 106 106 4053 1 . GLY 107 107 4053 1 . LEU 108 108 4053 1 . ALA 109 109 4053 1 . LYS 110 110 4053 1 . VAL 111 111 4053 1 . ALA 112 112 4053 1 . TYR 113 113 4053 1 . VAL 114 114 4053 1 . TYR 115 115 4053 1 . LYS 116 116 4053 1 . PRO 117 117 4053 1 . ASN 118 118 4053 1 . ASN 119 119 4053 1 . THR 120 120 4053 1 . HIS 121 121 4053 1 . GLU 122 122 4053 1 . GLN 123 123 4053 1 . LEU 124 124 4053 1 . LEU 125 125 4053 1 . ARG 126 126 4053 1 . LYS 127 127 4053 1 . SER 128 128 4053 1 . GLU 129 129 4053 1 . ALA 130 130 4053 1 . GLN 131 131 4053 1 . ALA 132 132 4053 1 . LYS 133 133 4053 1 . LYS 134 134 4053 1 . GLU 135 135 4053 1 . LYS 136 136 4053 1 . LEU 137 137 4053 1 . ASN 138 138 4053 1 . ILE 139 139 4053 1 . TRP 140 140 4053 1 . SER 141 141 4053 1 . GLU 142 142 4053 1 . ASP 143 143 4053 1 . ASN 144 144 4053 1 . ALA 145 145 4053 1 . ASP 146 146 4053 1 . SER 147 147 4053 1 . GLY 148 148 4053 1 . GLN 149 149 4053 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 4053 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 . CA . 4053 2 stop_ save_ save_entity_THP _Entity.Sf_category entity _Entity.Sf_framecode entity_THP _Entity.Entry_ID 4053 _Entity.ID 3 _Entity.BMRB_code THP _Entity.Name THYMIDINE-3',5'-DIPHOSPHATE _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 THP _Entity.Nonpolymer_comp_label $chem_comp_THP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 402.188 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID THYMIDINE-3',5'-DIPHOSPHATE BMRB 4053 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID THYMIDINE-3',5'-DIPHOSPHATE BMRB 4053 3 THP 'Three letter code' 4053 3 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 1 THP $chem_comp_THP 4053 3 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 4053 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $staph-nucl-H124L . 1280 organism . 'Staphylococcus aureus' 'S. aureus' . . Bacteria . Staphylococcus aureus 'V8 strain' . . . . . . . . . . . . 4053 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 4053 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $staph-nucl-H124L . 'recombinant technology' 'Escherichia coli' E.coli . . Escherichia coli BL21(DE3) . . plasmid . . pTSN2cc . . ; native (Modified pTSN2cc (plasmid copy control region restored). Recombinant nuclease contains LEU at position 124 (sequence identical to that of the nuclease A produced by the V8 strain of S. aureus).) ; 4053 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 4053 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 09:45:10 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 4053 CA InChI=1S/Ca/q+2 InChI InChI 1.03 4053 CA [Ca++] SMILES CACTVS 3.341 4053 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 4053 CA [Ca+2] SMILES ACDLabs 10.04 4053 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 4053 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4053 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 4053 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4053 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 4053 CA stop_ save_ save_chem_comp_THP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_THP _Chem_comp.Entry_ID 4053 _Chem_comp.ID THP _Chem_comp.Provenance PDB _Chem_comp.Name THYMIDINE-3',5'-DIPHOSPHATE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code THP _Chem_comp.PDB_code THP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces PTP _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code THP _Chem_comp.Number_atoms_all 41 _Chem_comp.Number_atoms_nh 25 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C10H16N2O11P2/c1-5-3-12(10(14)11-9(5)13)8-2-6(23-25(18,19)20)7(22-8)4-21-24(15,16)17/h3,6-8H,2,4H2,1H3,(H,11,13,14)(H2,15,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1 ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C10 H16 N2 O11 P2' _Chem_comp.Formula_weight 402.188 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1STG _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 4053 THP CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4053 THP CC1=CN([C@H]2C[C@H](O[P](O)(O)=O)[C@@H](CO[P](O)(O)=O)O2)C(=O)NC1=O SMILES_CANONICAL CACTVS 3.341 4053 THP CC1=CN([CH]2C[CH](O[P](O)(O)=O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O SMILES CACTVS 3.341 4053 THP CSNCBOPUCJOHLS-XLPZGREQSA-N InChIKey InChI 1.03 4053 THP ; InChI=1S/C10H16N2O11P2/c1-5-3-12(10(14)11-9(5)13)8-2-6(23-25(18,19)20)7(22-8)4-21-24(15,16)17/h3,6-8H,2,4H2,1H3,(H,11,13,14)(H2,15,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1 ; InChI InChI 1.03 4053 THP O=C1NC(=O)N(C=C1C)C2OC(C(OP(=O)(O)O)C2)COP(=O)(O)O SMILES ACDLabs 10.04 4053 THP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '[(2R,3S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-3-phosphonooxy-oxolan-2-yl]methyl dihydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4053 THP "thymidine 3',5'-bis(dihydrogen phosphate)" 'SYSTEMATIC NAME' ACDLabs 10.04 4053 THP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID P2 P2 P2 P2 . P . . N 0 . . . 1 no no . . . . 6.290 . 13.958 . 20.661 . 2.694 0.181 -3.289 1 . 4053 THP O4P O4P O4P O4P . O . . N 0 . . . 1 no no . . . . 5.063 . 13.885 . 19.838 . 2.796 1.567 -2.780 2 . 4053 THP O5P O5P O5P O5P . O . . N 0 . . . 1 no no . . . . 7.490 . 14.673 . 20.175 . 4.162 -0.358 -3.670 3 . 4053 THP O6P O6P O6P O6P . O . . N 0 . . . 1 no no . . . . 6.701 . 12.473 . 21.063 . 1.757 0.158 -4.598 4 . 4053 THP P1 P1 P1 P1 . P . . N 0 . . . 1 no no . . . . 5.064 . 11.601 . 26.444 . -3.072 0.194 -1.973 5 . 4053 THP O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 4.651 . 11.241 . 27.804 . -2.106 1.046 -2.701 6 . 4053 THP O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 6.411 . 11.514 . 25.849 . -4.201 -0.330 -2.994 7 . 4053 THP O3P O3P O3P O3P . O . . N 0 . . . 1 no no . . . . 4.119 . 10.747 . 25.471 . -3.766 1.050 -0.799 8 . 4053 THP O5' O5' O5' O5* . O . . N 0 . . . 1 no no . . . . 5.894 . 14.579 . 22.057 . 2.053 -0.761 -2.153 9 . 4053 THP C5' C5' C5' C5* . C . . N 0 . . . 1 no no . . . . 4.863 . 14.017 . 22.822 . 0.758 -0.233 -1.859 10 . 4053 THP C4' C4' C4' C4* . C . . R 0 . . . 1 no no . . . . 5.276 . 14.110 . 24.267 . 0.091 -1.088 -0.780 11 . 4053 THP O4' O4' O4' O4* . O . . N 0 . . . 1 no no . . . . 5.591 . 15.470 . 24.609 . 0.807 -0.985 0.471 12 . 4053 THP C3' C3' C3' C3* . C . . S 0 . . . 1 no no . . . . 4.121 . 13.716 . 25.146 . -1.317 -0.537 -0.441 13 . 4053 THP O3' O3' O3' O3* . O . . N 0 . . . 1 no no . . . . 4.610 . 13.145 . 26.358 . -2.300 -1.065 -1.333 14 . 4053 THP C2' C2' C2' C2* . C . . N 0 . . . 1 no no . . . . 3.403 . 15.001 . 25.434 . -1.534 -1.067 0.997 15 . 4053 THP C1' C1' C1' C1* . C . . R 0 . . . 1 no no . . . . 4.563 . 15.983 . 25.466 . -0.111 -1.363 1.509 16 . 4053 THP N1 N1 N1 N1 . N . . N 0 . . . 1 no no . . . . 4.016 . 17.276 . 25.022 . 0.154 -0.582 2.719 17 . 4053 THP C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 3.631 . 18.155 . 26.018 . 0.095 0.761 2.671 18 . 4053 THP O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . 3.818 . 17.953 . 27.207 . -0.178 1.311 1.623 19 . 4053 THP N3 N3 N3 N3 . N . . N 0 . . . 1 no no . . . . 3.022 . 19.309 . 25.624 . 0.335 1.503 3.768 20 . 4053 THP C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . 2.766 . 19.675 . 24.328 . 0.635 0.907 4.940 21 . 4053 THP O4 O4 O4 O4 . O . . N 0 . . . 1 no no . . . . 2.158 . 20.720 . 24.135 . 0.852 1.579 5.933 22 . 4053 THP C5 C5 C5 C5 . C . . N 0 . . . 1 no no . . . . 3.205 . 18.734 . 23.312 . 0.705 -0.504 5.003 23 . 4053 THP C5M C5M C5M C5M . C . . N 0 . . . 1 no no . . . . 3.037 . 19.091 . 21.820 . 1.043 -1.195 6.299 24 . 4053 THP C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 3.806 . 17.577 . 23.684 . 0.460 -1.225 3.888 25 . 4053 THP HOP5 HOP5 HOP5 5HOP . H . . N 0 . . . 0 no no . . . . 8.278 . 14.719 . 20.703 . 4.509 0.232 -4.352 26 . 4053 THP HOP6 HOP6 HOP6 6HOP . H . . N 0 . . . 0 no no . . . . 7.489 . 12.519 . 21.591 . 1.717 -0.760 -4.897 27 . 4053 THP HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 no no . . . . 6.678 . 11.747 . 24.967 . -4.638 0.453 -3.354 28 . 4053 THP HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 no no . . . . 4.386 . 10.980 . 24.589 . -4.386 0.459 -0.351 29 . 4053 THP H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 no no . . . . 3.869 . 14.480 . 22.621 . 0.148 -0.245 -2.762 30 . 4053 THP H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 no no . . . . 4.603 . 12.978 . 22.508 . 0.857 0.791 -1.501 31 . 4053 THP H4' H4' H4' H4* . H . . N 0 . . . 1 no no . . . . 6.157 . 13.443 . 24.414 . 0.029 -2.128 -1.100 32 . 4053 THP H3' H3' H3' H3* . H . . N 0 . . . 1 no no . . . . 3.456 . 12.960 . 24.665 . -1.323 0.552 -0.458 33 . 4053 THP H2'1 H2'1 H2'1 1H2* . H . . N 0 . . . 0 no no . . . . 2.578 . 15.257 . 24.728 . -2.131 -1.979 0.981 34 . 4053 THP H2'2 H2'2 H2'2 2H2* . H . . N 0 . . . 0 no no . . . . 2.756 . 14.994 . 26.342 . -2.012 -0.308 1.615 35 . 4053 THP H1' H1' H1' H1* . H . . N 0 . . . 1 no no . . . . 5.019 . 16.120 . 26.473 . -0.009 -2.427 1.725 36 . 4053 THP H3 H3 H3 H3 . H . . N 0 . . . 1 no no . . . . 2.733 . 19.952 . 26.360 . 0.288 2.471 3.716 37 . 4053 THP H51 H51 H51 1H5 . H . . N 0 . . . 1 no no . . . . 3.373 . 18.368 . 21.040 . 1.206 -0.448 7.077 38 . 4053 THP H52 H52 H52 2H5 . H . . N 0 . . . 1 no no . . . . 1.966 . 19.342 . 21.633 . 0.219 -1.847 6.589 39 . 4053 THP H53 H53 H53 3H5 . H . . N 0 . . . 1 no no . . . . 3.530 . 20.073 . 21.631 . 1.948 -1.788 6.170 40 . 4053 THP H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . 4.125 . 16.876 . 22.893 . 0.505 -2.303 3.918 41 . 4053 THP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB P2 O4P no N 1 . 4053 THP 2 . SING P2 O5P no N 2 . 4053 THP 3 . SING P2 O6P no N 3 . 4053 THP 4 . SING P2 O5' no N 4 . 4053 THP 5 . SING O5P HOP5 no N 5 . 4053 THP 6 . SING O6P HOP6 no N 6 . 4053 THP 7 . DOUB P1 O1P no N 7 . 4053 THP 8 . SING P1 O2P no N 8 . 4053 THP 9 . SING P1 O3P no N 9 . 4053 THP 10 . SING P1 O3' no N 10 . 4053 THP 11 . SING O2P HOP2 no N 11 . 4053 THP 12 . SING O3P HOP3 no N 12 . 4053 THP 13 . SING O5' C5' no N 13 . 4053 THP 14 . SING C5' C4' no N 14 . 4053 THP 15 . SING C5' H5'1 no N 15 . 4053 THP 16 . SING C5' H5'2 no N 16 . 4053 THP 17 . SING C4' O4' no N 17 . 4053 THP 18 . SING C4' C3' no N 18 . 4053 THP 19 . SING C4' H4' no N 19 . 4053 THP 20 . SING O4' C1' no N 20 . 4053 THP 21 . SING C3' O3' no N 21 . 4053 THP 22 . SING C3' C2' no N 22 . 4053 THP 23 . SING C3' H3' no N 23 . 4053 THP 24 . SING C2' C1' no N 24 . 4053 THP 25 . SING C2' H2'1 no N 25 . 4053 THP 26 . SING C2' H2'2 no N 26 . 4053 THP 27 . SING C1' N1 no N 27 . 4053 THP 28 . SING C1' H1' no N 28 . 4053 THP 29 . SING N1 C2 no N 29 . 4053 THP 30 . SING N1 C6 no N 30 . 4053 THP 31 . DOUB C2 O2 no N 31 . 4053 THP 32 . SING C2 N3 no N 32 . 4053 THP 33 . SING N3 C4 no N 33 . 4053 THP 34 . SING N3 H3 no N 34 . 4053 THP 35 . DOUB C4 O4 no N 35 . 4053 THP 36 . SING C4 C5 no N 36 . 4053 THP 37 . SING C5 C5M no N 37 . 4053 THP 38 . DOUB C5 C6 no N 38 . 4053 THP 39 . SING C5M H51 no N 39 . 4053 THP 40 . SING C5M H52 no N 40 . 4053 THP 41 . SING C5M H53 no N 41 . 4053 THP 42 . SING C6 H6 no N 42 . 4053 THP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4053 _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 'staphylococcal nuclease' [U-15N] . . 1 $staph-nucl-H124L . . . 3.5 5.0 mM . . . . 4053 1 2 THYMIDINE-3',5'-DIPHOSPHATE . . . 3 $entity_THP . . . 3.5 5.0 mM . . . . 4053 1 3 'CALCIUM (II) ION' . . . 2 $CA . . . 3.5 5.0 mM . . . . 4053 1 4 KCL . . . . . . . 300 . . mM . . . . 4053 1 5 D2O . . . . . . . 10 . . % . . . . 4053 1 6 H2O . . . . . . . 90 . . % . . . . 4053 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4053 _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 'staphylococcal nuclease' '[U-13C; U-15N]' . . 1 $staph-nucl-H124L . . . 3.5 5.0 mM . . . . 4053 2 2 THYMIDINE-3',5'-DIPHOSPHATE . . . 3 $entity_THP . . . 3.5 5.0 mM . . . . 4053 2 3 'CALCIUM (II) ION' . . . 2 $CA . . . 3.5 5.0 mM . . . . 4053 2 4 KCL . . . . . . . 300 . . mM . . . . 4053 2 5 D2O . . . . . . . 10 . . % . . . . 4053 2 6 H2O . . . . . . . 90 . . % . . . . 4053 2 stop_ save_ save_sample_three _Sample.Sf_category sample _Sample.Sf_framecode sample_three _Sample.Entry_ID 4053 _Sample.ID 3 _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 'staphylococcal nuclease' '[U-50% 2H]' . . 1 $staph-nucl-H124L . . . 3.5 5.0 mM . . . . 4053 3 2 THYMIDINE-3',5'-DIPHOSPHATE . . . 3 $entity_THP . . . 3.5 5.0 mM . . . . 4053 3 3 'CALCIUM (II) ION' . . . 2 $CA . . . 3.5 5.0 mM . . . . 4053 3 4 KCL . . . . . . . 300 . . mM . . . . 4053 3 5 D2O . . . . . . . 10 . . % . . . . 4053 3 6 H2O . . . . . . . 90 . . % . . . . 4053 3 stop_ save_ save_sample_four _Sample.Sf_category sample _Sample.Sf_framecode sample_four _Sample.Entry_ID 4053 _Sample.ID 4 _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 'staphylococcal nuclease' '[13CB; 13CG1]-Val' . . 1 $staph-nucl-H124L . . . 3.5 5.0 mM . . . . 4053 4 2 THYMIDINE-3',5'-DIPHOSPHATE . . . 3 $entity_THP . . . 3.5 5.0 mM . . . . 4053 4 3 'CALCIUM (II) ION' . . . 2 $CA . . . 3.5 5.0 mM . . . . 4053 4 4 KCL . . . . . . . 300 . . mM . . . . 4053 4 5 D2O . . . . . . . 10 . . % . . . . 4053 4 6 H2O . . . . . . . 90 . . % . . . . 4053 4 stop_ save_ save_sample_five _Sample.Sf_category sample _Sample.Sf_framecode sample_five _Sample.Entry_ID 4053 _Sample.ID 5 _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 'staphylococcal nuclease' '[13CG; 13CD1]-Leu' . . 1 $staph-nucl-H124L . . . 3.5 5.0 mM . . . . 4053 5 2 THYMIDINE-3',5'-DIPHOSPHATE . . . 3 $entity_THP . . . 3.5 5.0 mM . . . . 4053 5 3 'CALCIUM (II) ION' . . . 2 $CA . . . 3.5 5.0 mM . . . . 4053 5 4 KCL . . . . . . . 300 . . mM . . . . 4053 5 5 D2O . . . . . . . 10 . . % . . . . 4053 5 6 H2O . . . . . . . 90 . . % . . . . 4053 5 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 4053 _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 5.1 . n/a 4053 1 pH* 5.5 . n/a 4053 1 temperature 318 . K 4053 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4053 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AM _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4053 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AM _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4053 _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_one Bruker AM . 500 . . . 4053 1 2 NMR_spectrometer_two Bruker AM . 600 . . . 4053 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 4053 _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 COSY . 1 $NMR_applied_experiment . . . . . . . . . . . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 4053 1 stop_ save_ save_NMR_applied_experiment _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_applied_experiment _NMR_spec_expt.Entry_ID 4053 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 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_ #################### # 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 4053 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . 4053 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . . . 4053 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 4053 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 4053 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_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 ; In our COSY type spectra, cross peaks are distinguished definitely between alpha proton and belta protons of ILE35 (HA-HB) and ASN50 (HA-HB2, HA-HB3). We also ovserved this in another sample (described in BMRB entry 4891). In our final calculation structure results, these protons (ILE35:HB, ASN50:HB#) are near to the indole ring of TRP29 and TRP28. We think the extraordinary high field shifts are due to the ring current. ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4053 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 7 7 LEU HA H 1 4.56 . . . . . . . . . . . 4053 1 2 . 1 1 7 7 LEU HB2 H 1 1.77 . . . . . . . . . . . 4053 1 3 . 1 1 7 7 LEU HG H 1 1.87 . . . . . . . . . . . 4053 1 4 . 1 1 7 7 LEU HD11 H 1 0.93 . . . . . . . . . . . 4053 1 5 . 1 1 7 7 LEU HD12 H 1 0.93 . . . . . . . . . . . 4053 1 6 . 1 1 7 7 LEU HD13 H 1 0.93 . . . . . . . . . . . 4053 1 7 . 1 1 7 7 LEU HD21 H 1 1.02 . . . . . . . . . . . 4053 1 8 . 1 1 7 7 LEU HD22 H 1 1.02 . . . . . . . . . . . 4053 1 9 . 1 1 7 7 LEU HD23 H 1 1.02 . . . . . . . . . . . 4053 1 10 . 1 1 7 7 LEU H H 1 8.25 . . . . . . . . . . . 4053 1 11 . 1 1 7 7 LEU C C 13 174.97 . . . . . . . . . . . 4053 1 12 . 1 1 7 7 LEU CA C 13 53.27 . . . . . . . . . . . 4053 1 13 . 1 1 7 7 LEU CB C 13 39.97 . . . . . . . . . . . 4053 1 14 . 1 1 7 7 LEU CD1 C 13 20.47 . . . . . . . . . . . 4053 1 15 . 1 1 7 7 LEU CD2 C 13 23.37 . . . . . . . . . . . 4053 1 16 . 1 1 7 7 LEU N N 15 123.61 . . . . . . . . . . . 4053 1 17 . 1 1 8 8 HIS HA H 1 5.04 . . . . . . . . . . . 4053 1 18 . 1 1 8 8 HIS HB2 H 1 3.26 . . . . . . . . . . . 4053 1 19 . 1 1 8 8 HIS HB3 H 1 3.33 . . . . . . . . . . . 4053 1 20 . 1 1 8 8 HIS HD2 H 1 7.35 . . . . . . . . . . . 4053 1 21 . 1 1 8 8 HIS HE1 H 1 8.66 . . . . . . . . . . . 4053 1 22 . 1 1 8 8 HIS H H 1 8.83 . . . . . . . . . . . 4053 1 23 . 1 1 8 8 HIS C C 13 171.57 . . . . . . . . . . . 4053 1 24 . 1 1 8 8 HIS CA C 13 53.37 . . . . . . . . . . . 4053 1 25 . 1 1 8 8 HIS CB C 13 29.47 . . . . . . . . . . . 4053 1 26 . 1 1 8 8 HIS CG C 13 129.67 . . . . . . . . . . . 4053 1 27 . 1 1 8 8 HIS CD2 C 13 118.67 . . . . . . . . . . . 4053 1 28 . 1 1 8 8 HIS CE1 C 13 135.07 . . . . . . . . . . . 4053 1 29 . 1 1 8 8 HIS N N 15 119.21 . . . . . . . . . . . 4053 1 30 . 1 1 8 8 HIS ND1 N 15 180.21 . . . . . . . . . . . 4053 1 31 . 1 1 8 8 HIS NE2 N 15 175.01 . . . . . . . . . . . 4053 1 32 . 1 1 9 9 LYS HA H 1 4.82 . . . . . . . . . . . 4053 1 33 . 1 1 9 9 LYS HB2 H 1 1.42 . . . . . . . . . . . 4053 1 34 . 1 1 9 9 LYS HB3 H 1 1.53 . . . . . . . . . . . 4053 1 35 . 1 1 9 9 LYS HG2 H 1 0.76 . . . . . . . . . . . 4053 1 36 . 1 1 9 9 LYS HG3 H 1 1.30 . . . . . . . . . . . 4053 1 37 . 1 1 9 9 LYS HD2 H 1 1.02 . . . . . . . . . . . 4053 1 38 . 1 1 9 9 LYS HD3 H 1 1.02 . . . . . . . . . . . 4053 1 39 . 1 1 9 9 LYS HE2 H 1 1.82 . . . . . . . . . . . 4053 1 40 . 1 1 9 9 LYS HE3 H 1 1.82 . . . . . . . . . . . 4053 1 41 . 1 1 9 9 LYS H H 1 8.51 . . . . . . . . . . . 4053 1 42 . 1 1 9 9 LYS C C 13 174.57 . . . . . . . . . . . 4053 1 43 . 1 1 9 9 LYS CA C 13 54.47 . . . . . . . . . . . 4053 1 44 . 1 1 9 9 LYS CB C 13 33.17 . . . . . . . . . . . 4053 1 45 . 1 1 9 9 LYS N N 15 125.31 . . . . . . . . . . . 4053 1 46 . 1 1 10 10 GLU HA H 1 5.06 . . . . . . . . . . . 4053 1 47 . 1 1 10 10 GLU HB2 H 1 2.16 . . . . . . . . . . . 4053 1 48 . 1 1 10 10 GLU HB3 H 1 2.50 . . . . . . . . . . . 4053 1 49 . 1 1 10 10 GLU HG2 H 1 2.47 . . . . . . . . . . . 4053 1 50 . 1 1 10 10 GLU HG3 H 1 2.47 . . . . . . . . . . . 4053 1 51 . 1 1 10 10 GLU H H 1 9.29 . . . . . . . . . . . 4053 1 52 . 1 1 10 10 GLU CA C 13 51.77 . . . . . . . . . . . 4053 1 53 . 1 1 10 10 GLU CB C 13 31.57 . . . . . . . . . . . 4053 1 54 . 1 1 10 10 GLU N N 15 124.11 . . . . . . . . . . . 4053 1 55 . 1 1 11 11 PRO HA H 1 4.94 . . . . . . . . . . . 4053 1 56 . 1 1 11 11 PRO HB2 H 1 2.08 . . . . . . . . . . . 4053 1 57 . 1 1 11 11 PRO HB3 H 1 2.42 . . . . . . . . . . . 4053 1 58 . 1 1 11 11 PRO HG2 H 1 1.90 . . . . . . . . . . . 4053 1 59 . 1 1 11 11 PRO HG3 H 1 1.90 . . . . . . . . . . . 4053 1 60 . 1 1 11 11 PRO HD2 H 1 3.57 . . . . . . . . . . . 4053 1 61 . 1 1 11 11 PRO HD3 H 1 3.94 . . . . . . . . . . . 4053 1 62 . 1 1 11 11 PRO C C 13 173.67 . . . . . . . . . . . 4053 1 63 . 1 1 11 11 PRO CA C 13 61.67 . . . . . . . . . . . 4053 1 64 . 1 1 11 11 PRO CB C 13 31.57 . . . . . . . . . . . 4053 1 65 . 1 1 11 11 PRO CG C 13 25.77 . . . . . . . . . . . 4053 1 66 . 1 1 11 11 PRO CD C 13 49.17 . . . . . . . . . . . 4053 1 67 . 1 1 12 12 ALA HA H 1 5.01 . . . . . . . . . . . 4053 1 68 . 1 1 12 12 ALA HB1 H 1 1.34 . . . . . . . . . . . 4053 1 69 . 1 1 12 12 ALA HB2 H 1 1.34 . . . . . . . . . . . 4053 1 70 . 1 1 12 12 ALA HB3 H 1 1.34 . . . . . . . . . . . 4053 1 71 . 1 1 12 12 ALA H H 1 8.09 . . . . . . . . . . . 4053 1 72 . 1 1 12 12 ALA C C 13 173.77 . . . . . . . . . . . 4053 1 73 . 1 1 12 12 ALA CA C 13 49.87 . . . . . . . . . . . 4053 1 74 . 1 1 12 12 ALA CB C 13 23.17 . . . . . . . . . . . 4053 1 75 . 1 1 12 12 ALA N N 15 121.31 . . . . . . . . . . . 4053 1 76 . 1 1 13 13 THR HA H 1 4.73 . . . . . . . . . . . 4053 1 77 . 1 1 13 13 THR HB H 1 4.12 . . . . . . . . . . . 4053 1 78 . 1 1 13 13 THR HG21 H 1 1.28 . . . . . . . . . . . 4053 1 79 . 1 1 13 13 THR HG22 H 1 1.28 . . . . . . . . . . . 4053 1 80 . 1 1 13 13 THR HG23 H 1 1.28 . . . . . . . . . . . 4053 1 81 . 1 1 13 13 THR H H 1 8.09 . . . . . . . . . . . 4053 1 82 . 1 1 13 13 THR C C 13 172.27 . . . . . . . . . . . 4053 1 83 . 1 1 13 13 THR CA C 13 58.87 . . . . . . . . . . . 4053 1 84 . 1 1 13 13 THR CB C 13 69.97 . . . . . . . . . . . 4053 1 85 . 1 1 13 13 THR CG2 C 13 20.67 . . . . . . . . . . . 4053 1 86 . 1 1 13 13 THR N N 15 110.41 . . . . . . . . . . . 4053 1 87 . 1 1 14 14 LEU HA H 1 4.13 . . . . . . . . . . . 4053 1 88 . 1 1 14 14 LEU HB2 H 1 1.15 . . . . . . . . . . . 4053 1 89 . 1 1 14 14 LEU HB3 H 1 1.93 . . . . . . . . . . . 4053 1 90 . 1 1 14 14 LEU HG H 1 1.25 . . . . . . . . . . . 4053 1 91 . 1 1 14 14 LEU HD11 H 1 0.73 . . . . . . . . . . . 4053 1 92 . 1 1 14 14 LEU HD12 H 1 0.73 . . . . . . . . . . . 4053 1 93 . 1 1 14 14 LEU HD13 H 1 0.73 . . . . . . . . . . . 4053 1 94 . 1 1 14 14 LEU HD21 H 1 0.89 . . . . . . . . . . . 4053 1 95 . 1 1 14 14 LEU HD22 H 1 0.89 . . . . . . . . . . . 4053 1 96 . 1 1 14 14 LEU HD23 H 1 0.89 . . . . . . . . . . . 4053 1 97 . 1 1 14 14 LEU H H 1 9.08 . . . . . . . . . . . 4053 1 98 . 1 1 14 14 LEU C C 13 174.87 . . . . . . . . . . . 4053 1 99 . 1 1 14 14 LEU CA C 13 55.07 . . . . . . . . . . . 4053 1 100 . 1 1 14 14 LEU CB C 13 41.37 . . . . . . . . . . . 4053 1 101 . 1 1 14 14 LEU CD1 C 13 21.67 . . . . . . . . . . . 4053 1 102 . 1 1 14 14 LEU CD2 C 13 22.37 . . . . . . . . . . . 4053 1 103 . 1 1 14 14 LEU N N 15 126.71 . . . . . . . . . . . 4053 1 104 . 1 1 15 15 ILE HA H 1 4.25 . . . . . . . . . . . 4053 1 105 . 1 1 15 15 ILE HB H 1 1.33 . . . . . . . . . . . 4053 1 106 . 1 1 15 15 ILE HG12 H 1 1.35 . . . . . . . . . . . 4053 1 107 . 1 1 15 15 ILE HG13 H 1 1.35 . . . . . . . . . . . 4053 1 108 . 1 1 15 15 ILE HG21 H 1 0.90 . . . . . . . . . . . 4053 1 109 . 1 1 15 15 ILE HG22 H 1 0.90 . . . . . . . . . . . 4053 1 110 . 1 1 15 15 ILE HG23 H 1 0.90 . . . . . . . . . . . 4053 1 111 . 1 1 15 15 ILE HD11 H 1 0.83 . . . . . . . . . . . 4053 1 112 . 1 1 15 15 ILE HD12 H 1 0.83 . . . . . . . . . . . 4053 1 113 . 1 1 15 15 ILE HD13 H 1 0.83 . . . . . . . . . . . 4053 1 114 . 1 1 15 15 ILE H H 1 8.31 . . . . . . . . . . . 4053 1 115 . 1 1 15 15 ILE C C 13 173.97 . . . . . . . . . . . 4053 1 116 . 1 1 15 15 ILE CA C 13 62.47 . . . . . . . . . . . 4053 1 117 . 1 1 15 15 ILE CB C 13 37.37 . . . . . . . . . . . 4053 1 118 . 1 1 15 15 ILE CG2 C 13 15.27 . . . . . . . . . . . 4053 1 119 . 1 1 15 15 ILE CD1 C 13 12.67 . . . . . . . . . . . 4053 1 120 . 1 1 15 15 ILE N N 15 126.01 . . . . . . . . . . . 4053 1 121 . 1 1 16 16 LYS HA H 1 4.46 . . . . . . . . . . . 4053 1 122 . 1 1 16 16 LYS HB2 H 1 1.74 . . . . . . . . . . . 4053 1 123 . 1 1 16 16 LYS HB3 H 1 1.84 . . . . . . . . . . . 4053 1 124 . 1 1 16 16 LYS HG2 H 1 1.30 . . . . . . . . . . . 4053 1 125 . 1 1 16 16 LYS HG3 H 1 1.30 . . . . . . . . . . . 4053 1 126 . 1 1 16 16 LYS HD2 H 1 1.65 . . . . . . . . . . . 4053 1 127 . 1 1 16 16 LYS HD3 H 1 1.65 . . . . . . . . . . . 4053 1 128 . 1 1 16 16 LYS HE2 H 1 2.97 . . . . . . . . . . . 4053 1 129 . 1 1 16 16 LYS HE3 H 1 2.97 . . . . . . . . . . . 4053 1 130 . 1 1 16 16 LYS H H 1 8.02 . . . . . . . . . . . 4053 1 131 . 1 1 16 16 LYS C C 13 172.37 . . . . . . . . . . . 4053 1 132 . 1 1 16 16 LYS CA C 13 54.87 . . . . . . . . . . . 4053 1 133 . 1 1 16 16 LYS CB C 13 34.47 . . . . . . . . . . . 4053 1 134 . 1 1 16 16 LYS N N 15 115.51 . . . . . . . . . . . 4053 1 135 . 1 1 17 17 ALA HA H 1 4.45 . . . . . . . . . . . 4053 1 136 . 1 1 17 17 ALA HB1 H 1 1.37 . . . . . . . . . . . 4053 1 137 . 1 1 17 17 ALA HB2 H 1 1.37 . . . . . . . . . . . 4053 1 138 . 1 1 17 17 ALA HB3 H 1 1.37 . . . . . . . . . . . 4053 1 139 . 1 1 17 17 ALA H H 1 9.37 . . . . . . . . . . . 4053 1 140 . 1 1 17 17 ALA C C 13 173.87 . . . . . . . . . . . 4053 1 141 . 1 1 17 17 ALA CA C 13 50.67 . . . . . . . . . . . 4053 1 142 . 1 1 17 17 ALA CB C 13 16.67 . . . . . . . . . . . 4053 1 143 . 1 1 17 17 ALA N N 15 130.61 . . . . . . . . . . . 4053 1 144 . 1 1 18 18 ILE HA H 1 4.06 . . . . . . . . . . . 4053 1 145 . 1 1 18 18 ILE HB H 1 1.58 . . . . . . . . . . . 4053 1 146 . 1 1 18 18 ILE HG12 H 1 1.11 . . . . . . . . . . . 4053 1 147 . 1 1 18 18 ILE HG13 H 1 1.44 . . . . . . . . . . . 4053 1 148 . 1 1 18 18 ILE HG21 H 1 0.87 . . . . . . . . . . . 4053 1 149 . 1 1 18 18 ILE HG22 H 1 0.87 . . . . . . . . . . . 4053 1 150 . 1 1 18 18 ILE HG23 H 1 0.87 . . . . . . . . . . . 4053 1 151 . 1 1 18 18 ILE HD11 H 1 0.78 . . . . . . . . . . . 4053 1 152 . 1 1 18 18 ILE HD12 H 1 0.78 . . . . . . . . . . . 4053 1 153 . 1 1 18 18 ILE HD13 H 1 0.78 . . . . . . . . . . . 4053 1 154 . 1 1 18 18 ILE H H 1 7.93 . . . . . . . . . . . 4053 1 155 . 1 1 18 18 ILE C C 13 173.67 . . . . . . . . . . . 4053 1 156 . 1 1 18 18 ILE CA C 13 61.67 . . . . . . . . . . . 4053 1 157 . 1 1 18 18 ILE CB C 13 36.67 . . . . . . . . . . . 4053 1 158 . 1 1 18 18 ILE CG2 C 13 15.17 . . . . . . . . . . . 4053 1 159 . 1 1 18 18 ILE CD1 C 13 11.67 . . . . . . . . . . . 4053 1 160 . 1 1 18 18 ILE N N 15 125.41 . . . . . . . . . . . 4053 1 161 . 1 1 19 19 ASP HA H 1 4.64 . . . . . . . . . . . 4053 1 162 . 1 1 19 19 ASP HB2 H 1 2.93 . . . . . . . . . . . 4053 1 163 . 1 1 19 19 ASP HB3 H 1 3.12 . . . . . . . . . . . 4053 1 164 . 1 1 19 19 ASP H H 1 8.51 . . . . . . . . . . . 4053 1 165 . 1 1 19 19 ASP C C 13 174.47 . . . . . . . . . . . 4053 1 166 . 1 1 19 19 ASP CA C 13 52.07 . . . . . . . . . . . 4053 1 167 . 1 1 19 19 ASP CB C 13 37.57 . . . . . . . . . . . 4053 1 168 . 1 1 19 19 ASP N N 15 119.91 . . . . . . . . . . . 4053 1 169 . 1 1 20 20 GLY HA2 H 1 3.68 . . . . . . . . . . . 4053 1 170 . 1 1 20 20 GLY HA3 H 1 3.83 . . . . . . . . . . . 4053 1 171 . 1 1 20 20 GLY H H 1 8.77 . . . . . . . . . . . 4053 1 172 . 1 1 20 20 GLY C C 13 171.97 . . . . . . . . . . . 4053 1 173 . 1 1 20 20 GLY CA C 13 46.37 . . . . . . . . . . . 4053 1 174 . 1 1 20 20 GLY N N 15 104.61 . . . . . . . . . . . 4053 1 175 . 1 1 21 21 ASP HA H 1 4.89 . . . . . . . . . . . 4053 1 176 . 1 1 21 21 ASP HB2 H 1 2.37 . . . . . . . . . . . 4053 1 177 . 1 1 21 21 ASP HB3 H 1 3.45 . . . . . . . . . . . 4053 1 178 . 1 1 21 21 ASP H H 1 7.69 . . . . . . . . . . . 4053 1 179 . 1 1 21 21 ASP C C 13 174.67 . . . . . . . . . . . 4053 1 180 . 1 1 21 21 ASP CA C 13 50.37 . . . . . . . . . . . 4053 1 181 . 1 1 21 21 ASP CB C 13 39.27 . . . . . . . . . . . 4053 1 182 . 1 1 21 21 ASP N N 15 112.51 . . . . . . . . . . . 4053 1 183 . 1 1 22 22 THR HA H 1 5.64 . . . . . . . . . . . 4053 1 184 . 1 1 22 22 THR HB H 1 3.97 . . . . . . . . . . . 4053 1 185 . 1 1 22 22 THR HG21 H 1 1.16 . . . . . . . . . . . 4053 1 186 . 1 1 22 22 THR HG22 H 1 1.16 . . . . . . . . . . . 4053 1 187 . 1 1 22 22 THR HG23 H 1 1.16 . . . . . . . . . . . 4053 1 188 . 1 1 22 22 THR H H 1 7.70 . . . . . . . . . . . 4053 1 189 . 1 1 22 22 THR C C 13 171.27 . . . . . . . . . . . 4053 1 190 . 1 1 22 22 THR CA C 13 60.07 . . . . . . . . . . . 4053 1 191 . 1 1 22 22 THR CB C 13 71.07 . . . . . . . . . . . 4053 1 192 . 1 1 22 22 THR CG2 C 13 20.77 . . . . . . . . . . . 4053 1 193 . 1 1 22 22 THR N N 15 118.61 . . . . . . . . . . . 4053 1 194 . 1 1 23 23 VAL HA H 1 4.65 . . . . . . . . . . . 4053 1 195 . 1 1 23 23 VAL HB H 1 1.93 . . . . . . . . . . . 4053 1 196 . 1 1 23 23 VAL HG11 H 1 0.78 . . . . . . . . . . . 4053 1 197 . 1 1 23 23 VAL HG12 H 1 0.78 . . . . . . . . . . . 4053 1 198 . 1 1 23 23 VAL HG13 H 1 0.78 . . . . . . . . . . . 4053 1 199 . 1 1 23 23 VAL HG21 H 1 0.84 . . . . . . . . . . . 4053 1 200 . 1 1 23 23 VAL HG22 H 1 0.84 . . . . . . . . . . . 4053 1 201 . 1 1 23 23 VAL HG23 H 1 0.84 . . . . . . . . . . . 4053 1 202 . 1 1 23 23 VAL H H 1 9.15 . . . . . . . . . . . 4053 1 203 . 1 1 23 23 VAL C C 13 170.27 . . . . . . . . . . . 4053 1 204 . 1 1 23 23 VAL CA C 13 58.77 . . . . . . . . . . . 4053 1 205 . 1 1 23 23 VAL CB C 13 34.87 . . . . . . . . . . . 4053 1 206 . 1 1 23 23 VAL CG1 C 13 18.57 . . . . . . . . . . . 4053 1 207 . 1 1 23 23 VAL CG2 C 13 20.27 . . . . . . . . . . . 4053 1 208 . 1 1 23 23 VAL N N 15 121.71 . . . . . . . . . . . 4053 1 209 . 1 1 24 24 LYS HA H 1 5.44 . . . . . . . . . . . 4053 1 210 . 1 1 24 24 LYS HB2 H 1 1.67 . . . . . . . . . . . 4053 1 211 . 1 1 24 24 LYS HB3 H 1 2.02 . . . . . . . . . . . 4053 1 212 . 1 1 24 24 LYS HG2 H 1 1.35 . . . . . . . . . . . 4053 1 213 . 1 1 24 24 LYS HG3 H 1 1.35 . . . . . . . . . . . 4053 1 214 . 1 1 24 24 LYS HD2 H 1 1.70 . . . . . . . . . . . 4053 1 215 . 1 1 24 24 LYS HD3 H 1 1.70 . . . . . . . . . . . 4053 1 216 . 1 1 24 24 LYS HE2 H 1 2.83 . . . . . . . . . . . 4053 1 217 . 1 1 24 24 LYS HE3 H 1 2.83 . . . . . . . . . . . 4053 1 218 . 1 1 24 24 LYS H H 1 9.44 . . . . . . . . . . . 4053 1 219 . 1 1 24 24 LYS C C 13 173.37 . . . . . . . . . . . 4053 1 220 . 1 1 24 24 LYS CA C 13 54.47 . . . . . . . . . . . 4053 1 221 . 1 1 24 24 LYS CB C 13 33.17 . . . . . . . . . . . 4053 1 222 . 1 1 24 24 LYS N N 15 128.71 . . . . . . . . . . . 4053 1 223 . 1 1 25 25 LEU HA H 1 5.21 . . . . . . . . . . . 4053 1 224 . 1 1 25 25 LEU HB2 H 1 1.46 . . . . . . . . . . . 4053 1 225 . 1 1 25 25 LEU HB3 H 1 1.78 . . . . . . . . . . . 4053 1 226 . 1 1 25 25 LEU HG H 1 1.50 . . . . . . . . . . . 4053 1 227 . 1 1 25 25 LEU HD11 H 1 0.02 . . . . . . . . . . . 4053 1 228 . 1 1 25 25 LEU HD12 H 1 0.02 . . . . . . . . . . . 4053 1 229 . 1 1 25 25 LEU HD13 H 1 0.02 . . . . . . . . . . . 4053 1 230 . 1 1 25 25 LEU HD21 H 1 0.74 . . . . . . . . . . . 4053 1 231 . 1 1 25 25 LEU HD22 H 1 0.74 . . . . . . . . . . . 4053 1 232 . 1 1 25 25 LEU HD23 H 1 0.74 . . . . . . . . . . . 4053 1 233 . 1 1 25 25 LEU H H 1 9.33 . . . . . . . . . . . 4053 1 234 . 1 1 25 25 LEU C C 13 172.67 . . . . . . . . . . . 4053 1 235 . 1 1 25 25 LEU CA C 13 51.57 . . . . . . . . . . . 4053 1 236 . 1 1 25 25 LEU CB C 13 44.07 . . . . . . . . . . . 4053 1 237 . 1 1 25 25 LEU CD1 C 13 23.47 . . . . . . . . . . . 4053 1 238 . 1 1 25 25 LEU CD2 C 13 23.97 . . . . . . . . . . . 4053 1 239 . 1 1 25 25 LEU N N 15 128.51 . . . . . . . . . . . 4053 1 240 . 1 1 26 26 MET HA H 1 4.88 . . . . . . . . . . . 4053 1 241 . 1 1 26 26 MET HB2 H 1 1.75 . . . . . . . . . . . 4053 1 242 . 1 1 26 26 MET HB3 H 1 2.28 . . . . . . . . . . . 4053 1 243 . 1 1 26 26 MET HG2 H 1 2.17 . . . . . . . . . . . 4053 1 244 . 1 1 26 26 MET HG3 H 1 2.50 . . . . . . . . . . . 4053 1 245 . 1 1 26 26 MET HE1 H 1 1.97 . . . . . . . . . . . 4053 1 246 . 1 1 26 26 MET HE2 H 1 1.97 . . . . . . . . . . . 4053 1 247 . 1 1 26 26 MET HE3 H 1 1.97 . . . . . . . . . . . 4053 1 248 . 1 1 26 26 MET H H 1 9.51 . . . . . . . . . . . 4053 1 249 . 1 1 26 26 MET C C 13 173.47 . . . . . . . . . . . 4053 1 250 . 1 1 26 26 MET CA C 13 53.37 . . . . . . . . . . . 4053 1 251 . 1 1 26 26 MET CB C 13 30.67 . . . . . . . . . . . 4053 1 252 . 1 1 26 26 MET CG C 13 30.17 . . . . . . . . . . . 4053 1 253 . 1 1 26 26 MET N N 15 123.51 . . . . . . . . . . . 4053 1 254 . 1 1 27 27 TYR HA H 1 5.06 . . . . . . . . . . . 4053 1 255 . 1 1 27 27 TYR HB2 H 1 3.01 . . . . . . . . . . . 4053 1 256 . 1 1 27 27 TYR HB3 H 1 3.19 . . . . . . . . . . . 4053 1 257 . 1 1 27 27 TYR HD1 H 1 7.34 . . . . . . . . . . . 4053 1 258 . 1 1 27 27 TYR HD2 H 1 7.34 . . . . . . . . . . . 4053 1 259 . 1 1 27 27 TYR HE1 H 1 6.92 . . . . . . . . . . . 4053 1 260 . 1 1 27 27 TYR HE2 H 1 6.92 . . . . . . . . . . . 4053 1 261 . 1 1 27 27 TYR H H 1 9.03 . . . . . . . . . . . 4053 1 262 . 1 1 27 27 TYR C C 13 172.17 . . . . . . . . . . . 4053 1 263 . 1 1 27 27 TYR CA C 13 55.17 . . . . . . . . . . . 4053 1 264 . 1 1 27 27 TYR CB C 13 40.17 . . . . . . . . . . . 4053 1 265 . 1 1 27 27 TYR CG C 13 127.37 . . . . . . . . . . . 4053 1 266 . 1 1 27 27 TYR CD1 C 13 132.17 . . . . . . . . . . . 4053 1 267 . 1 1 27 27 TYR CE1 C 13 116.67 . . . . . . . . . . . 4053 1 268 . 1 1 27 27 TYR CZ C 13 156.67 . . . . . . . . . . . 4053 1 269 . 1 1 27 27 TYR N N 15 131.01 . . . . . . . . . . . 4053 1 270 . 1 1 28 28 LYS HA H 1 3.60 . . . . . . . . . . . 4053 1 271 . 1 1 28 28 LYS HB2 H 1 1.38 . . . . . . . . . . . 4053 1 272 . 1 1 28 28 LYS HB3 H 1 1.71 . . . . . . . . . . . 4053 1 273 . 1 1 28 28 LYS HG2 H 1 0.52 . . . . . . . . . . . 4053 1 274 . 1 1 28 28 LYS HG3 H 1 0.52 . . . . . . . . . . . 4053 1 275 . 1 1 28 28 LYS HD2 H 1 0.83 . . . . . . . . . . . 4053 1 276 . 1 1 28 28 LYS HD3 H 1 0.83 . . . . . . . . . . . 4053 1 277 . 1 1 28 28 LYS HE2 H 1 2.95 . . . . . . . . . . . 4053 1 278 . 1 1 28 28 LYS HE3 H 1 2.95 . . . . . . . . . . . 4053 1 279 . 1 1 28 28 LYS H H 1 9.25 . . . . . . . . . . . 4053 1 280 . 1 1 28 28 LYS C C 13 175.17 . . . . . . . . . . . 4053 1 281 . 1 1 28 28 LYS CA C 13 55.67 . . . . . . . . . . . 4053 1 282 . 1 1 28 28 LYS CB C 13 29.97 . . . . . . . . . . . 4053 1 283 . 1 1 28 28 LYS N N 15 128.91 . . . . . . . . . . . 4053 1 284 . 1 1 29 29 GLY HA2 H 1 3.51 . . . . . . . . . . . 4053 1 285 . 1 1 29 29 GLY HA3 H 1 4.14 . . . . . . . . . . . 4053 1 286 . 1 1 29 29 GLY H H 1 8.37 . . . . . . . . . . . 4053 1 287 . 1 1 29 29 GLY C C 13 171.97 . . . . . . . . . . . 4053 1 288 . 1 1 29 29 GLY CA C 13 43.87 . . . . . . . . . . . 4053 1 289 . 1 1 29 29 GLY N N 15 103.61 . . . . . . . . . . . 4053 1 290 . 1 1 30 30 GLN HA H 1 5.04 . . . . . . . . . . . 4053 1 291 . 1 1 30 30 GLN HB2 H 1 2.08 . . . . . . . . . . . 4053 1 292 . 1 1 30 30 GLN HB3 H 1 2.18 . . . . . . . . . . . 4053 1 293 . 1 1 30 30 GLN HG2 H 1 2.38 . . . . . . . . . . . 4053 1 294 . 1 1 30 30 GLN HG3 H 1 2.38 . . . . . . . . . . . 4053 1 295 . 1 1 30 30 GLN H H 1 7.82 . . . . . . . . . . . 4053 1 296 . 1 1 30 30 GLN CA C 13 50.67 . . . . . . . . . . . 4053 1 297 . 1 1 30 30 GLN CB C 13 29.87 . . . . . . . . . . . 4053 1 298 . 1 1 30 30 GLN N N 15 120.81 . . . . . . . . . . . 4053 1 299 . 1 1 31 31 PRO HA H 1 4.86 . . . . . . . . . . . 4053 1 300 . 1 1 31 31 PRO HB2 H 1 1.96 . . . . . . . . . . . 4053 1 301 . 1 1 31 31 PRO HB3 H 1 2.01 . . . . . . . . . . . 4053 1 302 . 1 1 31 31 PRO HG2 H 1 2.26 . . . . . . . . . . . 4053 1 303 . 1 1 31 31 PRO HG3 H 1 2.26 . . . . . . . . . . . 4053 1 304 . 1 1 31 31 PRO HD2 H 1 3.20 . . . . . . . . . . . 4053 1 305 . 1 1 31 31 PRO HD3 H 1 3.80 . . . . . . . . . . . 4053 1 306 . 1 1 31 31 PRO C C 13 175.47 . . . . . . . . . . . 4053 1 307 . 1 1 31 31 PRO CA C 13 61.07 . . . . . . . . . . . 4053 1 308 . 1 1 31 31 PRO CB C 13 30.47 . . . . . . . . . . . 4053 1 309 . 1 1 31 31 PRO CG C 13 26.17 . . . . . . . . . . . 4053 1 310 . 1 1 31 31 PRO CD C 13 49.27 . . . . . . . . . . . 4053 1 311 . 1 1 32 32 MET HA H 1 4.65 . . . . . . . . . . . 4053 1 312 . 1 1 32 32 MET HB2 H 1 1.98 . . . . . . . . . . . 4053 1 313 . 1 1 32 32 MET HB3 H 1 2.10 . . . . . . . . . . . 4053 1 314 . 1 1 32 32 MET HG2 H 1 2.44 . . . . . . . . . . . 4053 1 315 . 1 1 32 32 MET HG3 H 1 2.44 . . . . . . . . . . . 4053 1 316 . 1 1 32 32 MET HE1 H 1 1.90 . . . . . . . . . . . 4053 1 317 . 1 1 32 32 MET HE2 H 1 1.90 . . . . . . . . . . . 4053 1 318 . 1 1 32 32 MET HE3 H 1 1.90 . . . . . . . . . . . 4053 1 319 . 1 1 32 32 MET H H 1 9.50 . . . . . . . . . . . 4053 1 320 . 1 1 32 32 MET C C 13 172.77 . . . . . . . . . . . 4053 1 321 . 1 1 32 32 MET CA C 13 54.27 . . . . . . . . . . . 4053 1 322 . 1 1 32 32 MET CB C 13 35.57 . . . . . . . . . . . 4053 1 323 . 1 1 32 32 MET CG C 13 30.47 . . . . . . . . . . . 4053 1 324 . 1 1 32 32 MET N N 15 126.91 . . . . . . . . . . . 4053 1 325 . 1 1 33 33 THR HA H 1 4.49 . . . . . . . . . . . 4053 1 326 . 1 1 33 33 THR HB H 1 3.98 . . . . . . . . . . . 4053 1 327 . 1 1 33 33 THR HG21 H 1 0.95 . . . . . . . . . . . 4053 1 328 . 1 1 33 33 THR HG22 H 1 0.95 . . . . . . . . . . . 4053 1 329 . 1 1 33 33 THR HG23 H 1 0.95 . . . . . . . . . . . 4053 1 330 . 1 1 33 33 THR H H 1 8.86 . . . . . . . . . . . 4053 1 331 . 1 1 33 33 THR C C 13 171.37 . . . . . . . . . . . 4053 1 332 . 1 1 33 33 THR CA C 13 62.27 . . . . . . . . . . . 4053 1 333 . 1 1 33 33 THR CB C 13 66.67 . . . . . . . . . . . 4053 1 334 . 1 1 33 33 THR CG2 C 13 21.27 . . . . . . . . . . . 4053 1 335 . 1 1 33 33 THR N N 15 125.11 . . . . . . . . . . . 4053 1 336 . 1 1 34 34 PHE HA H 1 4.94 . . . . . . . . . . . 4053 1 337 . 1 1 34 34 PHE HB2 H 1 2.37 . . . . . . . . . . . 4053 1 338 . 1 1 34 34 PHE HB3 H 1 2.89 . . . . . . . . . . . 4053 1 339 . 1 1 34 34 PHE HD1 H 1 6.89 . . . . . . . . . . . 4053 1 340 . 1 1 34 34 PHE HD2 H 1 6.89 . . . . . . . . . . . 4053 1 341 . 1 1 34 34 PHE HE1 H 1 6.91 . . . . . . . . . . . 4053 1 342 . 1 1 34 34 PHE HE2 H 1 6.91 . . . . . . . . . . . 4053 1 343 . 1 1 34 34 PHE HZ H 1 6.64 . . . . . . . . . . . 4053 1 344 . 1 1 34 34 PHE H H 1 9.69 . . . . . . . . . . . 4053 1 345 . 1 1 34 34 PHE C C 13 171.67 . . . . . . . . . . . 4053 1 346 . 1 1 34 34 PHE CA C 13 55.77 . . . . . . . . . . . 4053 1 347 . 1 1 34 34 PHE CB C 13 40.77 . . . . . . . . . . . 4053 1 348 . 1 1 34 34 PHE CG C 13 138.57 . . . . . . . . . . . 4053 1 349 . 1 1 34 34 PHE CD1 C 13 129.67 . . . . . . . . . . . 4053 1 350 . 1 1 34 34 PHE CD2 C 13 129.67 . . . . . . . . . . . 4053 1 351 . 1 1 34 34 PHE CE1 C 13 129.67 . . . . . . . . . . . 4053 1 352 . 1 1 34 34 PHE CE2 C 13 129.67 . . . . . . . . . . . 4053 1 353 . 1 1 34 34 PHE CZ C 13 128.17 . . . . . . . . . . . 4053 1 354 . 1 1 34 34 PHE N N 15 127.31 . . . . . . . . . . . 4053 1 355 . 1 1 35 35 ARG HA H 1 4.99 . . . . . . . . . . . 4053 1 356 . 1 1 35 35 ARG HB2 H 1 1.92 . . . . . . . . . . . 4053 1 357 . 1 1 35 35 ARG HB3 H 1 1.92 . . . . . . . . . . . 4053 1 358 . 1 1 35 35 ARG HG2 H 1 1.13 . . . . . . . . . . . 4053 1 359 . 1 1 35 35 ARG HG3 H 1 1.20 . . . . . . . . . . . 4053 1 360 . 1 1 35 35 ARG HD2 H 1 3.85 . . . . . . . . . . . 4053 1 361 . 1 1 35 35 ARG HD3 H 1 3.85 . . . . . . . . . . . 4053 1 362 . 1 1 35 35 ARG H H 1 9.84 . . . . . . . . . . . 4053 1 363 . 1 1 35 35 ARG C C 13 172.57 . . . . . . . . . . . 4053 1 364 . 1 1 35 35 ARG CA C 13 50.47 . . . . . . . . . . . 4053 1 365 . 1 1 35 35 ARG CG C 13 25.67 . . . . . . . . . . . 4053 1 366 . 1 1 35 35 ARG N N 15 126.11 . . . . . . . . . . . 4053 1 367 . 1 1 36 36 LEU HA H 1 4.38 . . . . . . . . . . . 4053 1 368 . 1 1 36 36 LEU HB2 H 1 1.49 . . . . . . . . . . . 4053 1 369 . 1 1 36 36 LEU HB3 H 1 1.63 . . . . . . . . . . . 4053 1 370 . 1 1 36 36 LEU HG H 1 1.69 . . . . . . . . . . . 4053 1 371 . 1 1 36 36 LEU HD11 H 1 0.73 . . . . . . . . . . . 4053 1 372 . 1 1 36 36 LEU HD12 H 1 0.73 . . . . . . . . . . . 4053 1 373 . 1 1 36 36 LEU HD13 H 1 0.73 . . . . . . . . . . . 4053 1 374 . 1 1 36 36 LEU HD21 H 1 0.76 . . . . . . . . . . . 4053 1 375 . 1 1 36 36 LEU HD22 H 1 0.76 . . . . . . . . . . . 4053 1 376 . 1 1 36 36 LEU HD23 H 1 0.76 . . . . . . . . . . . 4053 1 377 . 1 1 36 36 LEU H H 1 8.33 . . . . . . . . . . . 4053 1 378 . 1 1 36 36 LEU C C 13 176.07 . . . . . . . . . . . 4053 1 379 . 1 1 36 36 LEU CA C 13 54.67 . . . . . . . . . . . 4053 1 380 . 1 1 36 36 LEU CB C 13 40.67 . . . . . . . . . . . 4053 1 381 . 1 1 36 36 LEU CD1 C 13 22.87 . . . . . . . . . . . 4053 1 382 . 1 1 36 36 LEU CD2 C 13 24.67 . . . . . . . . . . . 4053 1 383 . 1 1 36 36 LEU N N 15 125.91 . . . . . . . . . . . 4053 1 384 . 1 1 37 37 LEU HA H 1 3.93 . . . . . . . . . . . 4053 1 385 . 1 1 37 37 LEU HB2 H 1 0.68 . . . . . . . . . . . 4053 1 386 . 1 1 37 37 LEU HB3 H 1 1.02 . . . . . . . . . . . 4053 1 387 . 1 1 37 37 LEU HG H 1 1.25 . . . . . . . . . . . 4053 1 388 . 1 1 37 37 LEU HD11 H 1 0.37 . . . . . . . . . . . 4053 1 389 . 1 1 37 37 LEU HD12 H 1 0.37 . . . . . . . . . . . 4053 1 390 . 1 1 37 37 LEU HD13 H 1 0.37 . . . . . . . . . . . 4053 1 391 . 1 1 37 37 LEU HD21 H 1 1.18 . . . . . . . . . . . 4053 1 392 . 1 1 37 37 LEU HD22 H 1 1.18 . . . . . . . . . . . 4053 1 393 . 1 1 37 37 LEU HD23 H 1 1.18 . . . . . . . . . . . 4053 1 394 . 1 1 37 37 LEU H H 1 7.46 . . . . . . . . . . . 4053 1 395 . 1 1 37 37 LEU C C 13 176.07 . . . . . . . . . . . 4053 1 396 . 1 1 37 37 LEU CA C 13 54.57 . . . . . . . . . . . 4053 1 397 . 1 1 37 37 LEU CB C 13 43.77 . . . . . . . . . . . 4053 1 398 . 1 1 37 37 LEU CD1 C 13 24.77 . . . . . . . . . . . 4053 1 399 . 1 1 37 37 LEU CD2 C 13 24.97 . . . . . . . . . . . 4053 1 400 . 1 1 37 37 LEU N N 15 123.51 . . . . . . . . . . . 4053 1 401 . 1 1 38 38 LEU HA H 1 4.31 . . . . . . . . . . . 4053 1 402 . 1 1 38 38 LEU HB2 H 1 1.91 . . . . . . . . . . . 4053 1 403 . 1 1 38 38 LEU HB3 H 1 2.25 . . . . . . . . . . . 4053 1 404 . 1 1 38 38 LEU HG H 1 1.87 . . . . . . . . . . . 4053 1 405 . 1 1 38 38 LEU HD11 H 1 1.10 . . . . . . . . . . . 4053 1 406 . 1 1 38 38 LEU HD12 H 1 1.10 . . . . . . . . . . . 4053 1 407 . 1 1 38 38 LEU HD13 H 1 1.10 . . . . . . . . . . . 4053 1 408 . 1 1 38 38 LEU HD21 H 1 1.17 . . . . . . . . . . . 4053 1 409 . 1 1 38 38 LEU HD22 H 1 1.17 . . . . . . . . . . . 4053 1 410 . 1 1 38 38 LEU HD23 H 1 1.17 . . . . . . . . . . . 4053 1 411 . 1 1 38 38 LEU H H 1 9.32 . . . . . . . . . . . 4053 1 412 . 1 1 38 38 LEU C C 13 173.27 . . . . . . . . . . . 4053 1 413 . 1 1 38 38 LEU CA C 13 54.77 . . . . . . . . . . . 4053 1 414 . 1 1 38 38 LEU CB C 13 39.07 . . . . . . . . . . . 4053 1 415 . 1 1 38 38 LEU CD1 C 13 23.67 . . . . . . . . . . . 4053 1 416 . 1 1 38 38 LEU CD2 C 13 25.57 . . . . . . . . . . . 4053 1 417 . 1 1 38 38 LEU N N 15 113.21 . . . . . . . . . . . 4053 1 418 . 1 1 39 39 VAL HA H 1 5.74 . . . . . . . . . . . 4053 1 419 . 1 1 39 39 VAL HB H 1 1.87 . . . . . . . . . . . 4053 1 420 . 1 1 39 39 VAL HG11 H 1 0.73 . . . . . . . . . . . 4053 1 421 . 1 1 39 39 VAL HG12 H 1 0.73 . . . . . . . . . . . 4053 1 422 . 1 1 39 39 VAL HG13 H 1 0.73 . . . . . . . . . . . 4053 1 423 . 1 1 39 39 VAL HG21 H 1 1.02 . . . . . . . . . . . 4053 1 424 . 1 1 39 39 VAL HG22 H 1 1.02 . . . . . . . . . . . 4053 1 425 . 1 1 39 39 VAL HG23 H 1 1.02 . . . . . . . . . . . 4053 1 426 . 1 1 39 39 VAL H H 1 6.94 . . . . . . . . . . . 4053 1 427 . 1 1 39 39 VAL C C 13 174.27 . . . . . . . . . . . 4053 1 428 . 1 1 39 39 VAL CA C 13 55.87 . . . . . . . . . . . 4053 1 429 . 1 1 39 39 VAL CB C 13 35.67 . . . . . . . . . . . 4053 1 430 . 1 1 39 39 VAL CG1 C 13 17.67 . . . . . . . . . . . 4053 1 431 . 1 1 39 39 VAL CG2 C 13 19.67 . . . . . . . . . . . 4053 1 432 . 1 1 39 39 VAL N N 15 105.21 . . . . . . . . . . . 4053 1 433 . 1 1 40 40 ASP HA H 1 5.22 . . . . . . . . . . . 4053 1 434 . 1 1 40 40 ASP HB2 H 1 2.33 . . . . . . . . . . . 4053 1 435 . 1 1 40 40 ASP HB3 H 1 2.48 . . . . . . . . . . . 4053 1 436 . 1 1 40 40 ASP H H 1 8.88 . . . . . . . . . . . 4053 1 437 . 1 1 40 40 ASP C C 13 174.77 . . . . . . . . . . . 4053 1 438 . 1 1 40 40 ASP CA C 13 52.87 . . . . . . . . . . . 4053 1 439 . 1 1 40 40 ASP N N 15 120.41 . . . . . . . . . . . 4053 1 440 . 1 1 41 41 THR HA H 1 5.14 . . . . . . . . . . . 4053 1 441 . 1 1 41 41 THR HB H 1 4.23 . . . . . . . . . . . 4053 1 442 . 1 1 41 41 THR HG21 H 1 1.18 . . . . . . . . . . . 4053 1 443 . 1 1 41 41 THR HG22 H 1 1.18 . . . . . . . . . . . 4053 1 444 . 1 1 41 41 THR HG23 H 1 1.18 . . . . . . . . . . . 4053 1 445 . 1 1 41 41 THR H H 1 9.20 . . . . . . . . . . . 4053 1 446 . 1 1 41 41 THR CA C 13 56.87 . . . . . . . . . . . 4053 1 447 . 1 1 41 41 THR CB C 13 66.57 . . . . . . . . . . . 4053 1 448 . 1 1 41 41 THR CG2 C 13 20.97 . . . . . . . . . . . 4053 1 449 . 1 1 41 41 THR N N 15 120.81 . . . . . . . . . . . 4053 1 450 . 1 1 42 42 PRO HA H 1 4.43 . . . . . . . . . . . 4053 1 451 . 1 1 42 42 PRO HB2 H 1 1.98 . . . . . . . . . . . 4053 1 452 . 1 1 42 42 PRO HB3 H 1 2.30 . . . . . . . . . . . 4053 1 453 . 1 1 42 42 PRO HG2 H 1 2.21 . . . . . . . . . . . 4053 1 454 . 1 1 42 42 PRO HG3 H 1 2.21 . . . . . . . . . . . 4053 1 455 . 1 1 42 42 PRO HD2 H 1 3.56 . . . . . . . . . . . 4053 1 456 . 1 1 42 42 PRO HD3 H 1 3.64 . . . . . . . . . . . 4053 1 457 . 1 1 42 42 PRO CA C 13 61.67 . . . . . . . . . . . 4053 1 458 . 1 1 42 42 PRO CB C 13 30.57 . . . . . . . . . . . 4053 1 459 . 1 1 42 42 PRO CD C 13 47.97 . . . . . . . . . . . 4053 1 460 . 1 1 43 43 GLU HB2 H 1 2.00 . . . . . . . . . . . 4053 1 461 . 1 1 43 43 GLU HB3 H 1 2.00 . . . . . . . . . . . 4053 1 462 . 1 1 43 43 GLU HG2 H 1 2.25 . . . . . . . . . . . 4053 1 463 . 1 1 43 43 GLU HG3 H 1 2.25 . . . . . . . . . . . 4053 1 464 . 1 1 43 43 GLU H H 1 8.12 . . . . . . . . . . . 4053 1 465 . 1 1 43 43 GLU C C 13 174.17 . . . . . . . . . . . 4053 1 466 . 1 1 43 43 GLU CA C 13 54.37 . . . . . . . . . . . 4053 1 467 . 1 1 44 44 THR HA H 1 4.38 . . . . . . . . . . . 4053 1 468 . 1 1 44 44 THR HB H 1 4.29 . . . . . . . . . . . 4053 1 469 . 1 1 44 44 THR HG21 H 1 1.14 . . . . . . . . . . . 4053 1 470 . 1 1 44 44 THR HG22 H 1 1.14 . . . . . . . . . . . 4053 1 471 . 1 1 44 44 THR HG23 H 1 1.14 . . . . . . . . . . . 4053 1 472 . 1 1 44 44 THR H H 1 8.30 . . . . . . . . . . . 4053 1 473 . 1 1 44 44 THR C C 13 172.77 . . . . . . . . . . . 4053 1 474 . 1 1 44 44 THR CA C 13 60.77 . . . . . . . . . . . 4053 1 475 . 1 1 44 44 THR CB C 13 67.57 . . . . . . . . . . . 4053 1 476 . 1 1 44 44 THR CG2 C 13 20.77 . . . . . . . . . . . 4053 1 477 . 1 1 44 44 THR N N 15 114.21 . . . . . . . . . . . 4053 1 478 . 1 1 45 45 LYS HA H 1 4.26 . . . . . . . . . . . 4053 1 479 . 1 1 45 45 LYS HB2 H 1 1.65 . . . . . . . . . . . 4053 1 480 . 1 1 45 45 LYS HB3 H 1 1.65 . . . . . . . . . . . 4053 1 481 . 1 1 45 45 LYS HG2 H 1 1.35 . . . . . . . . . . . 4053 1 482 . 1 1 45 45 LYS HG3 H 1 1.35 . . . . . . . . . . . 4053 1 483 . 1 1 45 45 LYS HD2 H 1 1.65 . . . . . . . . . . . 4053 1 484 . 1 1 45 45 LYS HD3 H 1 1.65 . . . . . . . . . . . 4053 1 485 . 1 1 45 45 LYS HE2 H 1 2.98 . . . . . . . . . . . 4053 1 486 . 1 1 45 45 LYS HE3 H 1 2.98 . . . . . . . . . . . 4053 1 487 . 1 1 45 45 LYS H H 1 8.13 . . . . . . . . . . . 4053 1 488 . 1 1 45 45 LYS C C 13 174.27 . . . . . . . . . . . 4053 1 489 . 1 1 45 45 LYS CA C 13 54.87 . . . . . . . . . . . 4053 1 490 . 1 1 45 45 LYS CB C 13 31.27 . . . . . . . . . . . 4053 1 491 . 1 1 45 45 LYS N N 15 124.01 . . . . . . . . . . . 4053 1 492 . 1 1 46 46 HIS HA H 1 4.89 . . . . . . . . . . . 4053 1 493 . 1 1 46 46 HIS HB2 H 1 3.12 . . . . . . . . . . . 4053 1 494 . 1 1 46 46 HIS HB3 H 1 3.17 . . . . . . . . . . . 4053 1 495 . 1 1 46 46 HIS HD2 H 1 7.31 . . . . . . . . . . . 4053 1 496 . 1 1 46 46 HIS HE1 H 1 8.31 . . . . . . . . . . . 4053 1 497 . 1 1 46 46 HIS H H 1 8.34 . . . . . . . . . . . 4053 1 498 . 1 1 46 46 HIS CA C 13 52.77 . . . . . . . . . . . 4053 1 499 . 1 1 46 46 HIS CB C 13 28.97 . . . . . . . . . . . 4053 1 500 . 1 1 46 46 HIS CG C 13 132.07 . . . . . . . . . . . 4053 1 501 . 1 1 46 46 HIS CD2 C 13 118.57 . . . . . . . . . . . 4053 1 502 . 1 1 46 46 HIS CE1 C 13 136.07 . . . . . . . . . . . 4053 1 503 . 1 1 46 46 HIS N N 15 120.81 . . . . . . . . . . . 4053 1 504 . 1 1 46 46 HIS NE2 N 15 172.41 . . . . . . . . . . . 4053 1 505 . 1 1 47 47 PRO HA H 1 4.30 . . . . . . . . . . . 4053 1 506 . 1 1 47 47 PRO HB2 H 1 1.91 . . . . . . . . . . . 4053 1 507 . 1 1 47 47 PRO HB3 H 1 2.25 . . . . . . . . . . . 4053 1 508 . 1 1 47 47 PRO HD2 H 1 3.55 . . . . . . . . . . . 4053 1 509 . 1 1 47 47 PRO HD3 H 1 3.73 . . . . . . . . . . . 4053 1 510 . 1 1 47 47 PRO C C 13 175.47 . . . . . . . . . . . 4053 1 511 . 1 1 47 47 PRO CA C 13 63.07 . . . . . . . . . . . 4053 1 512 . 1 1 47 47 PRO CB C 13 30.57 . . . . . . . . . . . 4053 1 513 . 1 1 47 47 PRO CD C 13 49.37 . . . . . . . . . . . 4053 1 514 . 1 1 48 48 LYS HA H 1 4.32 . . . . . . . . . . . 4053 1 515 . 1 1 48 48 LYS HB2 H 1 1.89 . . . . . . . . . . . 4053 1 516 . 1 1 48 48 LYS HB3 H 1 1.94 . . . . . . . . . . . 4053 1 517 . 1 1 48 48 LYS HG2 H 1 1.46 . . . . . . . . . . . 4053 1 518 . 1 1 48 48 LYS HG3 H 1 1.52 . . . . . . . . . . . 4053 1 519 . 1 1 48 48 LYS HD2 H 1 1.73 . . . . . . . . . . . 4053 1 520 . 1 1 48 48 LYS HD3 H 1 1.73 . . . . . . . . . . . 4053 1 521 . 1 1 48 48 LYS HE2 H 1 3.02 . . . . . . . . . . . 4053 1 522 . 1 1 48 48 LYS HE3 H 1 3.02 . . . . . . . . . . . 4053 1 523 . 1 1 48 48 LYS H H 1 8.72 . . . . . . . . . . . 4053 1 524 . 1 1 48 48 LYS C C 13 175.27 . . . . . . . . . . . 4053 1 525 . 1 1 48 48 LYS CA C 13 55.27 . . . . . . . . . . . 4053 1 526 . 1 1 48 48 LYS CB C 13 31.97 . . . . . . . . . . . 4053 1 527 . 1 1 48 48 LYS N N 15 120.61 . . . . . . . . . . . 4053 1 528 . 1 1 49 49 LYS HA H 1 4.33 . . . . . . . . . . . 4053 1 529 . 1 1 49 49 LYS HB2 H 1 1.88 . . . . . . . . . . . 4053 1 530 . 1 1 49 49 LYS HB3 H 1 1.88 . . . . . . . . . . . 4053 1 531 . 1 1 49 49 LYS HG2 H 1 1.33 . . . . . . . . . . . 4053 1 532 . 1 1 49 49 LYS HG3 H 1 1.33 . . . . . . . . . . . 4053 1 533 . 1 1 49 49 LYS HD2 H 1 1.62 . . . . . . . . . . . 4053 1 534 . 1 1 49 49 LYS HD3 H 1 1.62 . . . . . . . . . . . 4053 1 535 . 1 1 49 49 LYS HE2 H 1 3.17 . . . . . . . . . . . 4053 1 536 . 1 1 49 49 LYS HE3 H 1 3.17 . . . . . . . . . . . 4053 1 537 . 1 1 49 49 LYS H H 1 8.34 . . . . . . . . . . . 4053 1 538 . 1 1 49 49 LYS C C 13 174.87 . . . . . . . . . . . 4053 1 539 . 1 1 49 49 LYS CA C 13 54.87 . . . . . . . . . . . 4053 1 540 . 1 1 49 49 LYS CB C 13 31.97 . . . . . . . . . . . 4053 1 541 . 1 1 49 49 LYS N N 15 120.71 . . . . . . . . . . . 4053 1 542 . 1 1 50 50 GLY HA2 H 1 3.81 . . . . . . . . . . . 4053 1 543 . 1 1 50 50 GLY HA3 H 1 4.14 . . . . . . . . . . . 4053 1 544 . 1 1 50 50 GLY H H 1 8.23 . . . . . . . . . . . 4053 1 545 . 1 1 50 50 GLY C C 13 171.87 . . . . . . . . . . . 4053 1 546 . 1 1 50 50 GLY CA C 13 43.97 . . . . . . . . . . . 4053 1 547 . 1 1 50 50 GLY N N 15 111.01 . . . . . . . . . . . 4053 1 548 . 1 1 51 51 VAL HA H 1 4.10 . . . . . . . . . . . 4053 1 549 . 1 1 51 51 VAL HB H 1 2.08 . . . . . . . . . . . 4053 1 550 . 1 1 51 51 VAL HG11 H 1 0.95 . . . . . . . . . . . 4053 1 551 . 1 1 51 51 VAL HG12 H 1 0.95 . . . . . . . . . . . 4053 1 552 . 1 1 51 51 VAL HG13 H 1 0.95 . . . . . . . . . . . 4053 1 553 . 1 1 51 51 VAL HG21 H 1 1.00 . . . . . . . . . . . 4053 1 554 . 1 1 51 51 VAL HG22 H 1 1.00 . . . . . . . . . . . 4053 1 555 . 1 1 51 51 VAL HG23 H 1 1.00 . . . . . . . . . . . 4053 1 556 . 1 1 51 51 VAL H H 1 8.02 . . . . . . . . . . . 4053 1 557 . 1 1 51 51 VAL C C 13 172.37 . . . . . . . . . . . 4053 1 558 . 1 1 51 51 VAL CA C 13 60.67 . . . . . . . . . . . 4053 1 559 . 1 1 51 51 VAL CB C 13 30.77 . . . . . . . . . . . 4053 1 560 . 1 1 51 51 VAL CG1 C 13 20.47 . . . . . . . . . . . 4053 1 561 . 1 1 51 51 VAL CG2 C 13 21.27 . . . . . . . . . . . 4053 1 562 . 1 1 51 51 VAL N N 15 121.31 . . . . . . . . . . . 4053 1 563 . 1 1 52 52 GLU HA H 1 4.29 . . . . . . . . . . . 4053 1 564 . 1 1 52 52 GLU HB2 H 1 2.06 . . . . . . . . . . . 4053 1 565 . 1 1 52 52 GLU HB3 H 1 2.24 . . . . . . . . . . . 4053 1 566 . 1 1 52 52 GLU HG2 H 1 2.36 . . . . . . . . . . . 4053 1 567 . 1 1 52 52 GLU HG3 H 1 2.36 . . . . . . . . . . . 4053 1 568 . 1 1 52 52 GLU H H 1 8.24 . . . . . . . . . . . 4053 1 569 . 1 1 52 52 GLU CA C 13 60.37 . . . . . . . . . . . 4053 1 570 . 1 1 52 52 GLU N N 15 125.91 . . . . . . . . . . . 4053 1 571 . 1 1 53 53 LYS HA H 1 3.85 . . . . . . . . . . . 4053 1 572 . 1 1 53 53 LYS HB2 H 1 1.50 . . . . . . . . . . . 4053 1 573 . 1 1 53 53 LYS HB3 H 1 1.60 . . . . . . . . . . . 4053 1 574 . 1 1 53 53 LYS HG2 H 1 0.90 . . . . . . . . . . . 4053 1 575 . 1 1 53 53 LYS HG3 H 1 1.05 . . . . . . . . . . . 4053 1 576 . 1 1 53 53 LYS HD2 H 1 1.50 . . . . . . . . . . . 4053 1 577 . 1 1 53 53 LYS HD3 H 1 1.50 . . . . . . . . . . . 4053 1 578 . 1 1 53 53 LYS HE2 H 1 2.78 . . . . . . . . . . . 4053 1 579 . 1 1 53 53 LYS HE3 H 1 2.78 . . . . . . . . . . . 4053 1 580 . 1 1 53 53 LYS CA C 13 56.97 . . . . . . . . . . . 4053 1 581 . 1 1 53 53 LYS CB C 13 30.77 . . . . . . . . . . . 4053 1 582 . 1 1 53 53 LYS CE C 13 39.87 . . . . . . . . . . . 4053 1 583 . 1 1 54 54 TYR HA H 1 4.04 . . . . . . . . . . . 4053 1 584 . 1 1 54 54 TYR HB2 H 1 3.12 . . . . . . . . . . . 4053 1 585 . 1 1 54 54 TYR HB3 H 1 3.32 . . . . . . . . . . . 4053 1 586 . 1 1 54 54 TYR HD1 H 1 6.82 . . . . . . . . . . . 4053 1 587 . 1 1 54 54 TYR HD2 H 1 6.82 . . . . . . . . . . . 4053 1 588 . 1 1 54 54 TYR HE1 H 1 6.73 . . . . . . . . . . . 4053 1 589 . 1 1 54 54 TYR HE2 H 1 6.73 . . . . . . . . . . . 4053 1 590 . 1 1 54 54 TYR H H 1 7.69 . . . . . . . . . . . 4053 1 591 . 1 1 54 54 TYR C C 13 173.97 . . . . . . . . . . . 4053 1 592 . 1 1 54 54 TYR CA C 13 60.07 . . . . . . . . . . . 4053 1 593 . 1 1 54 54 TYR CB C 13 37.07 . . . . . . . . . . . 4053 1 594 . 1 1 54 54 TYR CG C 13 128.67 . . . . . . . . . . . 4053 1 595 . 1 1 54 54 TYR CD1 C 13 130.87 . . . . . . . . . . . 4053 1 596 . 1 1 54 54 TYR CD2 C 13 130.87 . . . . . . . . . . . 4053 1 597 . 1 1 54 54 TYR CE1 C 13 116.77 . . . . . . . . . . . 4053 1 598 . 1 1 54 54 TYR CE2 C 13 116.77 . . . . . . . . . . . 4053 1 599 . 1 1 54 54 TYR CZ C 13 155.67 . . . . . . . . . . . 4053 1 600 . 1 1 54 54 TYR N N 15 119.31 . . . . . . . . . . . 4053 1 601 . 1 1 55 55 GLY HA2 H 1 3.73 . . . . . . . . . . . 4053 1 602 . 1 1 55 55 GLY HA3 H 1 3.88 . . . . . . . . . . . 4053 1 603 . 1 1 55 55 GLY H H 1 8.61 . . . . . . . . . . . 4053 1 604 . 1 1 55 55 GLY CA C 13 46.87 . . . . . . . . . . . 4053 1 605 . 1 1 55 55 GLY N N 15 110.01 . . . . . . . . . . . 4053 1 606 . 1 1 56 56 PRO HA H 1 4.24 . . . . . . . . . . . 4053 1 607 . 1 1 56 56 PRO HB2 H 1 1.87 . . . . . . . . . . . 4053 1 608 . 1 1 56 56 PRO HB3 H 1 2.40 . . . . . . . . . . . 4053 1 609 . 1 1 56 56 PRO HG2 H 1 2.17 . . . . . . . . . . . 4053 1 610 . 1 1 56 56 PRO HG3 H 1 2.17 . . . . . . . . . . . 4053 1 611 . 1 1 56 56 PRO HD2 H 1 3.73 . . . . . . . . . . . 4053 1 612 . 1 1 56 56 PRO HD3 H 1 3.86 . . . . . . . . . . . 4053 1 613 . 1 1 56 56 PRO CA C 13 63.87 . . . . . . . . . . . 4053 1 614 . 1 1 56 56 PRO CD C 13 49.97 . . . . . . . . . . . 4053 1 615 . 1 1 57 57 GLU C C 13 177.67 . . . . . . . . . . . 4053 1 616 . 1 1 57 57 GLU CA C 13 59.27 . . . . . . . . . . . 4053 1 617 . 1 1 58 58 ALA HA H 1 4.17 . . . . . . . . . . . 4053 1 618 . 1 1 58 58 ALA HB1 H 1 1.72 . . . . . . . . . . . 4053 1 619 . 1 1 58 58 ALA HB2 H 1 1.72 . . . . . . . . . . . 4053 1 620 . 1 1 58 58 ALA HB3 H 1 1.72 . . . . . . . . . . . 4053 1 621 . 1 1 58 58 ALA H H 1 8.82 . . . . . . . . . . . 4053 1 622 . 1 1 58 58 ALA C C 13 176.87 . . . . . . . . . . . 4053 1 623 . 1 1 58 58 ALA CA C 13 54.07 . . . . . . . . . . . 4053 1 624 . 1 1 58 58 ALA CB C 13 16.77 . . . . . . . . . . . 4053 1 625 . 1 1 58 58 ALA N N 15 125.31 . . . . . . . . . . . 4053 1 626 . 1 1 59 59 SER HA H 1 3.98 . . . . . . . . . . . 4053 1 627 . 1 1 59 59 SER HB2 H 1 3.74 . . . . . . . . . . . 4053 1 628 . 1 1 59 59 SER HB3 H 1 3.74 . . . . . . . . . . . 4053 1 629 . 1 1 59 59 SER H H 1 8.30 . . . . . . . . . . . 4053 1 630 . 1 1 59 59 SER C C 13 175.17 . . . . . . . . . . . 4053 1 631 . 1 1 59 59 SER CA C 13 61.17 . . . . . . . . . . . 4053 1 632 . 1 1 59 59 SER CB C 13 60.27 . . . . . . . . . . . 4053 1 633 . 1 1 59 59 SER N N 15 113.31 . . . . . . . . . . . 4053 1 634 . 1 1 60 60 ALA HA H 1 4.05 . . . . . . . . . . . 4053 1 635 . 1 1 60 60 ALA HB1 H 1 1.51 . . . . . . . . . . . 4053 1 636 . 1 1 60 60 ALA HB2 H 1 1.51 . . . . . . . . . . . 4053 1 637 . 1 1 60 60 ALA HB3 H 1 1.51 . . . . . . . . . . . 4053 1 638 . 1 1 60 60 ALA H H 1 8.25 . . . . . . . . . . . 4053 1 639 . 1 1 60 60 ALA C C 13 177.47 . . . . . . . . . . . 4053 1 640 . 1 1 60 60 ALA CA C 13 53.37 . . . . . . . . . . . 4053 1 641 . 1 1 60 60 ALA CB C 13 16.67 . . . . . . . . . . . 4053 1 642 . 1 1 60 60 ALA N N 15 124.01 . . . . . . . . . . . 4053 1 643 . 1 1 61 61 PHE HA H 1 4.05 . . . . . . . . . . . 4053 1 644 . 1 1 61 61 PHE HB2 H 1 3.14 . . . . . . . . . . . 4053 1 645 . 1 1 61 61 PHE HB3 H 1 3.33 . . . . . . . . . . . 4053 1 646 . 1 1 61 61 PHE HD1 H 1 7.13 . . . . . . . . . . . 4053 1 647 . 1 1 61 61 PHE HD2 H 1 7.13 . . . . . . . . . . . 4053 1 648 . 1 1 61 61 PHE HE1 H 1 7.21 . . . . . . . . . . . 4053 1 649 . 1 1 61 61 PHE HE2 H 1 7.21 . . . . . . . . . . . 4053 1 650 . 1 1 61 61 PHE HZ H 1 7.19 . . . . . . . . . . . 4053 1 651 . 1 1 61 61 PHE H H 1 8.15 . . . . . . . . . . . 4053 1 652 . 1 1 61 61 PHE C C 13 176.27 . . . . . . . . . . . 4053 1 653 . 1 1 61 61 PHE CA C 13 60.27 . . . . . . . . . . . 4053 1 654 . 1 1 61 61 PHE CB C 13 38.27 . . . . . . . . . . . 4053 1 655 . 1 1 61 61 PHE CG C 13 136.17 . . . . . . . . . . . 4053 1 656 . 1 1 61 61 PHE CD1 C 13 130.77 . . . . . . . . . . . 4053 1 657 . 1 1 61 61 PHE CD2 C 13 130.77 . . . . . . . . . . . 4053 1 658 . 1 1 61 61 PHE CE1 C 13 129.07 . . . . . . . . . . . 4053 1 659 . 1 1 61 61 PHE CE2 C 13 129.07 . . . . . . . . . . . 4053 1 660 . 1 1 61 61 PHE CZ C 13 128.27 . . . . . . . . . . . 4053 1 661 . 1 1 61 61 PHE N N 15 122.71 . . . . . . . . . . . 4053 1 662 . 1 1 62 62 THR HA H 1 3.60 . . . . . . . . . . . 4053 1 663 . 1 1 62 62 THR HB H 1 4.12 . . . . . . . . . . . 4053 1 664 . 1 1 62 62 THR HG21 H 1 1.01 . . . . . . . . . . . 4053 1 665 . 1 1 62 62 THR HG22 H 1 1.01 . . . . . . . . . . . 4053 1 666 . 1 1 62 62 THR HG23 H 1 1.01 . . . . . . . . . . . 4053 1 667 . 1 1 62 62 THR H H 1 8.58 . . . . . . . . . . . 4053 1 668 . 1 1 62 62 THR C C 13 173.77 . . . . . . . . . . . 4053 1 669 . 1 1 62 62 THR CA C 13 66.07 . . . . . . . . . . . 4053 1 670 . 1 1 62 62 THR CB C 13 66.47 . . . . . . . . . . . 4053 1 671 . 1 1 62 62 THR CG2 C 13 20.67 . . . . . . . . . . . 4053 1 672 . 1 1 62 62 THR N N 15 121.41 . . . . . . . . . . . 4053 1 673 . 1 1 63 63 LYS HA H 1 3.58 . . . . . . . . . . . 4053 1 674 . 1 1 63 63 LYS HB2 H 1 1.38 . . . . . . . . . . . 4053 1 675 . 1 1 63 63 LYS HB3 H 1 1.77 . . . . . . . . . . . 4053 1 676 . 1 1 63 63 LYS HG2 H 1 0.84 . . . . . . . . . . . 4053 1 677 . 1 1 63 63 LYS HG3 H 1 1.15 . . . . . . . . . . . 4053 1 678 . 1 1 63 63 LYS HD2 H 1 1.28 . . . . . . . . . . . 4053 1 679 . 1 1 63 63 LYS HD3 H 1 1.63 . . . . . . . . . . . 4053 1 680 . 1 1 63 63 LYS HE2 H 1 3.01 . . . . . . . . . . . 4053 1 681 . 1 1 63 63 LYS HE3 H 1 3.01 . . . . . . . . . . . 4053 1 682 . 1 1 63 63 LYS H H 1 8.04 . . . . . . . . . . . 4053 1 683 . 1 1 63 63 LYS C C 13 175.27 . . . . . . . . . . . 4053 1 684 . 1 1 63 63 LYS CA C 13 58.87 . . . . . . . . . . . 4053 1 685 . 1 1 63 63 LYS CB C 13 28.37 . . . . . . . . . . . 4053 1 686 . 1 1 63 63 LYS N N 15 121.31 . . . . . . . . . . . 4053 1 687 . 1 1 64 64 LYS HA H 1 3.93 . . . . . . . . . . . 4053 1 688 . 1 1 64 64 LYS HB2 H 1 1.76 . . . . . . . . . . . 4053 1 689 . 1 1 64 64 LYS HB3 H 1 1.76 . . . . . . . . . . . 4053 1 690 . 1 1 64 64 LYS HG2 H 1 1.31 . . . . . . . . . . . 4053 1 691 . 1 1 64 64 LYS HG3 H 1 1.39 . . . . . . . . . . . 4053 1 692 . 1 1 64 64 LYS HD2 H 1 1.61 . . . . . . . . . . . 4053 1 693 . 1 1 64 64 LYS HD3 H 1 1.61 . . . . . . . . . . . 4053 1 694 . 1 1 64 64 LYS HE2 H 1 2.87 . . . . . . . . . . . 4053 1 695 . 1 1 64 64 LYS HE3 H 1 2.87 . . . . . . . . . . . 4053 1 696 . 1 1 64 64 LYS H H 1 7.95 . . . . . . . . . . . 4053 1 697 . 1 1 64 64 LYS C C 13 176.97 . . . . . . . . . . . 4053 1 698 . 1 1 64 64 LYS CA C 13 57.77 . . . . . . . . . . . 4053 1 699 . 1 1 64 64 LYS CB C 13 30.37 . . . . . . . . . . . 4053 1 700 . 1 1 64 64 LYS N N 15 118.71 . . . . . . . . . . . 4053 1 701 . 1 1 65 65 MET HA H 1 3.92 . . . . . . . . . . . 4053 1 702 . 1 1 65 65 MET HB2 H 1 1.80 . . . . . . . . . . . 4053 1 703 . 1 1 65 65 MET HB3 H 1 2.16 . . . . . . . . . . . 4053 1 704 . 1 1 65 65 MET HG2 H 1 2.46 . . . . . . . . . . . 4053 1 705 . 1 1 65 65 MET HG3 H 1 2.46 . . . . . . . . . . . 4053 1 706 . 1 1 65 65 MET HE1 H 1 1.94 . . . . . . . . . . . 4053 1 707 . 1 1 65 65 MET HE2 H 1 1.94 . . . . . . . . . . . 4053 1 708 . 1 1 65 65 MET HE3 H 1 1.94 . . . . . . . . . . . 4053 1 709 . 1 1 65 65 MET H H 1 7.65 . . . . . . . . . . . 4053 1 710 . 1 1 65 65 MET C C 13 177.37 . . . . . . . . . . . 4053 1 711 . 1 1 65 65 MET CA C 13 58.07 . . . . . . . . . . . 4053 1 712 . 1 1 65 65 MET CB C 13 31.47 . . . . . . . . . . . 4053 1 713 . 1 1 65 65 MET CG C 13 31.07 . . . . . . . . . . . 4053 1 714 . 1 1 65 65 MET N N 15 117.61 . . . . . . . . . . . 4053 1 715 . 1 1 66 66 VAL HA H 1 4.17 . . . . . . . . . . . 4053 1 716 . 1 1 66 66 VAL HB H 1 2.15 . . . . . . . . . . . 4053 1 717 . 1 1 66 66 VAL HG11 H 1 0.89 . . . . . . . . . . . 4053 1 718 . 1 1 66 66 VAL HG12 H 1 0.89 . . . . . . . . . . . 4053 1 719 . 1 1 66 66 VAL HG13 H 1 0.89 . . . . . . . . . . . 4053 1 720 . 1 1 66 66 VAL HG21 H 1 1.15 . . . . . . . . . . . 4053 1 721 . 1 1 66 66 VAL HG22 H 1 1.15 . . . . . . . . . . . 4053 1 722 . 1 1 66 66 VAL HG23 H 1 1.15 . . . . . . . . . . . 4053 1 723 . 1 1 66 66 VAL H H 1 8.22 . . . . . . . . . . . 4053 1 724 . 1 1 66 66 VAL C C 13 175.77 . . . . . . . . . . . 4053 1 725 . 1 1 66 66 VAL CA C 13 62.57 . . . . . . . . . . . 4053 1 726 . 1 1 66 66 VAL CB C 13 29.87 . . . . . . . . . . . 4053 1 727 . 1 1 66 66 VAL CG1 C 13 18.47 . . . . . . . . . . . 4053 1 728 . 1 1 66 66 VAL CG2 C 13 20.27 . . . . . . . . . . . 4053 1 729 . 1 1 66 66 VAL N N 15 109.11 . . . . . . . . . . . 4053 1 730 . 1 1 67 67 GLU HA H 1 3.98 . . . . . . . . . . . 4053 1 731 . 1 1 67 67 GLU HB2 H 1 1.87 . . . . . . . . . . . 4053 1 732 . 1 1 67 67 GLU HB3 H 1 2.06 . . . . . . . . . . . 4053 1 733 . 1 1 67 67 GLU HG2 H 1 2.20 . . . . . . . . . . . 4053 1 734 . 1 1 67 67 GLU HG3 H 1 2.49 . . . . . . . . . . . 4053 1 735 . 1 1 67 67 GLU H H 1 8.78 . . . . . . . . . . . 4053 1 736 . 1 1 67 67 GLU C C 13 176.17 . . . . . . . . . . . 4053 1 737 . 1 1 67 67 GLU CA C 13 57.57 . . . . . . . . . . . 4053 1 738 . 1 1 67 67 GLU CB C 13 27.47 . . . . . . . . . . . 4053 1 739 . 1 1 67 67 GLU N N 15 122.41 . . . . . . . . . . . 4053 1 740 . 1 1 68 68 ASN HA H 1 4.69 . . . . . . . . . . . 4053 1 741 . 1 1 68 68 ASN HB2 H 1 2.78 . . . . . . . . . . . 4053 1 742 . 1 1 68 68 ASN HB3 H 1 2.81 . . . . . . . . . . . 4053 1 743 . 1 1 68 68 ASN H H 1 7.32 . . . . . . . . . . . 4053 1 744 . 1 1 68 68 ASN HD21 H 1 6.98 . . . . . . . . . . . 4053 1 745 . 1 1 68 68 ASN HD22 H 1 7.76 . . . . . . . . . . . 4053 1 746 . 1 1 68 68 ASN C C 13 172.77 . . . . . . . . . . . 4053 1 747 . 1 1 68 68 ASN CA C 13 52.07 . . . . . . . . . . . 4053 1 748 . 1 1 68 68 ASN CB C 13 36.97 . . . . . . . . . . . 4053 1 749 . 1 1 68 68 ASN N N 15 114.91 . . . . . . . . . . . 4053 1 750 . 1 1 68 68 ASN ND2 N 15 114.21 . . . . . . . . . . . 4053 1 751 . 1 1 69 69 ALA HA H 1 4.52 . . . . . . . . . . . 4053 1 752 . 1 1 69 69 ALA HB1 H 1 1.32 . . . . . . . . . . . 4053 1 753 . 1 1 69 69 ALA HB2 H 1 1.32 . . . . . . . . . . . 4053 1 754 . 1 1 69 69 ALA HB3 H 1 1.32 . . . . . . . . . . . 4053 1 755 . 1 1 69 69 ALA H H 1 6.68 . . . . . . . . . . . 4053 1 756 . 1 1 69 69 ALA C C 13 175.97 . . . . . . . . . . . 4053 1 757 . 1 1 69 69 ALA CA C 13 49.77 . . . . . . . . . . . 4053 1 758 . 1 1 69 69 ALA CB C 13 17.77 . . . . . . . . . . . 4053 1 759 . 1 1 69 69 ALA N N 15 122.71 . . . . . . . . . . . 4053 1 760 . 1 1 70 70 LYS HA H 1 4.35 . . . . . . . . . . . 4053 1 761 . 1 1 70 70 LYS HB2 H 1 1.94 . . . . . . . . . . . 4053 1 762 . 1 1 70 70 LYS HB3 H 1 2.03 . . . . . . . . . . . 4053 1 763 . 1 1 70 70 LYS HG2 H 1 1.56 . . . . . . . . . . . 4053 1 764 . 1 1 70 70 LYS HG3 H 1 1.61 . . . . . . . . . . . 4053 1 765 . 1 1 70 70 LYS HD2 H 1 1.71 . . . . . . . . . . . 4053 1 766 . 1 1 70 70 LYS HD3 H 1 1.71 . . . . . . . . . . . 4053 1 767 . 1 1 70 70 LYS HE2 H 1 3.06 . . . . . . . . . . . 4053 1 768 . 1 1 70 70 LYS HE3 H 1 3.06 . . . . . . . . . . . 4053 1 769 . 1 1 70 70 LYS H H 1 10.11 . . . . . . . . . . . 4053 1 770 . 1 1 70 70 LYS C C 13 176.07 . . . . . . . . . . . 4053 1 771 . 1 1 70 70 LYS CA C 13 56.27 . . . . . . . . . . . 4053 1 772 . 1 1 70 70 LYS CB C 13 30.67 . . . . . . . . . . . 4053 1 773 . 1 1 70 70 LYS N N 15 127.01 . . . . . . . . . . . 4053 1 774 . 1 1 71 71 LYS HA H 1 4.66 . . . . . . . . . . . 4053 1 775 . 1 1 71 71 LYS HB2 H 1 1.69 . . . . . . . . . . . 4053 1 776 . 1 1 71 71 LYS HB3 H 1 1.86 . . . . . . . . . . . 4053 1 777 . 1 1 71 71 LYS HG2 H 1 1.25 . . . . . . . . . . . 4053 1 778 . 1 1 71 71 LYS HG3 H 1 1.47 . . . . . . . . . . . 4053 1 779 . 1 1 71 71 LYS HD2 H 1 1.69 . . . . . . . . . . . 4053 1 780 . 1 1 71 71 LYS HD3 H 1 1.69 . . . . . . . . . . . 4053 1 781 . 1 1 71 71 LYS HE2 H 1 2.90 . . . . . . . . . . . 4053 1 782 . 1 1 71 71 LYS HE3 H 1 2.90 . . . . . . . . . . . 4053 1 783 . 1 1 71 71 LYS H H 1 8.85 . . . . . . . . . . . 4053 1 784 . 1 1 71 71 LYS C C 13 172.97 . . . . . . . . . . . 4053 1 785 . 1 1 71 71 LYS CA C 13 53.87 . . . . . . . . . . . 4053 1 786 . 1 1 71 71 LYS CB C 13 34.07 . . . . . . . . . . . 4053 1 787 . 1 1 71 71 LYS N N 15 122.51 . . . . . . . . . . . 4053 1 788 . 1 1 72 72 ILE HA H 1 5.23 . . . . . . . . . . . 4053 1 789 . 1 1 72 72 ILE HB H 1 1.89 . . . . . . . . . . . 4053 1 790 . 1 1 72 72 ILE HG12 H 1 1.15 . . . . . . . . . . . 4053 1 791 . 1 1 72 72 ILE HG13 H 1 1.33 . . . . . . . . . . . 4053 1 792 . 1 1 72 72 ILE HG21 H 1 0.64 . . . . . . . . . . . 4053 1 793 . 1 1 72 72 ILE HG22 H 1 0.64 . . . . . . . . . . . 4053 1 794 . 1 1 72 72 ILE HG23 H 1 0.64 . . . . . . . . . . . 4053 1 795 . 1 1 72 72 ILE HD11 H 1 0.89 . . . . . . . . . . . 4053 1 796 . 1 1 72 72 ILE HD12 H 1 0.89 . . . . . . . . . . . 4053 1 797 . 1 1 72 72 ILE HD13 H 1 0.89 . . . . . . . . . . . 4053 1 798 . 1 1 72 72 ILE H H 1 8.86 . . . . . . . . . . . 4053 1 799 . 1 1 72 72 ILE C C 13 173.67 . . . . . . . . . . . 4053 1 800 . 1 1 72 72 ILE CA C 13 57.17 . . . . . . . . . . . 4053 1 801 . 1 1 72 72 ILE CB C 13 36.67 . . . . . . . . . . . 4053 1 802 . 1 1 72 72 ILE CG2 C 13 15.97 . . . . . . . . . . . 4053 1 803 . 1 1 72 72 ILE CD1 C 13 11.37 . . . . . . . . . . . 4053 1 804 . 1 1 72 72 ILE N N 15 130.41 . . . . . . . . . . . 4053 1 805 . 1 1 73 73 GLU HA H 1 5.27 . . . . . . . . . . . 4053 1 806 . 1 1 73 73 GLU HB2 H 1 1.74 . . . . . . . . . . . 4053 1 807 . 1 1 73 73 GLU HB3 H 1 1.92 . . . . . . . . . . . 4053 1 808 . 1 1 73 73 GLU H H 1 8.80 . . . . . . . . . . . 4053 1 809 . 1 1 73 73 GLU C C 13 173.37 . . . . . . . . . . . 4053 1 810 . 1 1 73 73 GLU CA C 13 52.17 . . . . . . . . . . . 4053 1 811 . 1 1 73 73 GLU CB C 13 34.67 . . . . . . . . . . . 4053 1 812 . 1 1 73 73 GLU N N 15 124.51 . . . . . . . . . . . 4053 1 813 . 1 1 74 74 VAL HA H 1 4.62 . . . . . . . . . . . 4053 1 814 . 1 1 74 74 VAL HB H 1 1.29 . . . . . . . . . . . 4053 1 815 . 1 1 74 74 VAL HG11 H 1 -0.14 . . . . . . . . . . . 4053 1 816 . 1 1 74 74 VAL HG12 H 1 -0.14 . . . . . . . . . . . 4053 1 817 . 1 1 74 74 VAL HG13 H 1 -0.14 . . . . . . . . . . . 4053 1 818 . 1 1 74 74 VAL HG21 H 1 0.3 . . . . . . . . . . . 4053 1 819 . 1 1 74 74 VAL HG22 H 1 0.3 . . . . . . . . . . . 4053 1 820 . 1 1 74 74 VAL HG23 H 1 0.3 . . . . . . . . . . . 4053 1 821 . 1 1 74 74 VAL H H 1 9.54 . . . . . . . . . . . 4053 1 822 . 1 1 74 74 VAL C C 13 172.47 . . . . . . . . . . . 4053 1 823 . 1 1 74 74 VAL CA C 13 57.97 . . . . . . . . . . . 4053 1 824 . 1 1 74 74 VAL CB C 13 33.07 . . . . . . . . . . . 4053 1 825 . 1 1 74 74 VAL CG1 C 13 18.77 . . . . . . . . . . . 4053 1 826 . 1 1 74 74 VAL CG2 C 13 20.07 . . . . . . . . . . . 4053 1 827 . 1 1 74 74 VAL N N 15 118.71 . . . . . . . . . . . 4053 1 828 . 1 1 75 75 GLU HA H 1 5.15 . . . . . . . . . . . 4053 1 829 . 1 1 75 75 GLU HB2 H 1 1.83 . . . . . . . . . . . 4053 1 830 . 1 1 75 75 GLU HB3 H 1 2.91 . . . . . . . . . . . 4053 1 831 . 1 1 75 75 GLU HG2 H 1 2.21 . . . . . . . . . . . 4053 1 832 . 1 1 75 75 GLU HG3 H 1 2.36 . . . . . . . . . . . 4053 1 833 . 1 1 75 75 GLU H H 1 8.82 . . . . . . . . . . . 4053 1 834 . 1 1 75 75 GLU C C 13 173.87 . . . . . . . . . . . 4053 1 835 . 1 1 75 75 GLU CA C 13 52.87 . . . . . . . . . . . 4053 1 836 . 1 1 75 75 GLU CB C 13 34.37 . . . . . . . . . . . 4053 1 837 . 1 1 75 75 GLU N N 15 128.11 . . . . . . . . . . . 4053 1 838 . 1 1 76 76 PHE HA H 1 4.77 . . . . . . . . . . . 4053 1 839 . 1 1 76 76 PHE HB2 H 1 2.92 . . . . . . . . . . . 4053 1 840 . 1 1 76 76 PHE HB3 H 1 3.55 . . . . . . . . . . . 4053 1 841 . 1 1 76 76 PHE HD1 H 1 7.69 . . . . . . . . . . . 4053 1 842 . 1 1 76 76 PHE HD2 H 1 7.69 . . . . . . . . . . . 4053 1 843 . 1 1 76 76 PHE HE1 H 1 7.27 . . . . . . . . . . . 4053 1 844 . 1 1 76 76 PHE HE2 H 1 7.27 . . . . . . . . . . . 4053 1 845 . 1 1 76 76 PHE HZ H 1 6.79 . . . . . . . . . . . 4053 1 846 . 1 1 76 76 PHE H H 1 8.79 . . . . . . . . . . . 4053 1 847 . 1 1 76 76 PHE C C 13 173.77 . . . . . . . . . . . 4053 1 848 . 1 1 76 76 PHE CA C 13 57.97 . . . . . . . . . . . 4053 1 849 . 1 1 76 76 PHE CB C 13 38.17 . . . . . . . . . . . 4053 1 850 . 1 1 76 76 PHE CG C 13 138.37 . . . . . . . . . . . 4053 1 851 . 1 1 76 76 PHE CD1 C 13 131.17 . . . . . . . . . . . 4053 1 852 . 1 1 76 76 PHE CD2 C 13 131.17 . . . . . . . . . . . 4053 1 853 . 1 1 76 76 PHE CE1 C 13 129.57 . . . . . . . . . . . 4053 1 854 . 1 1 76 76 PHE CE2 C 13 129.57 . . . . . . . . . . . 4053 1 855 . 1 1 76 76 PHE CZ C 13 127.27 . . . . . . . . . . . 4053 1 856 . 1 1 76 76 PHE N N 15 128.41 . . . . . . . . . . . 4053 1 857 . 1 1 77 77 ASP HA H 1 5.32 . . . . . . . . . . . 4053 1 858 . 1 1 77 77 ASP HB2 H 1 2.48 . . . . . . . . . . . 4053 1 859 . 1 1 77 77 ASP HB3 H 1 3.83 . . . . . . . . . . . 4053 1 860 . 1 1 77 77 ASP H H 1 9.26 . . . . . . . . . . . 4053 1 861 . 1 1 77 77 ASP C C 13 175.77 . . . . . . . . . . . 4053 1 862 . 1 1 77 77 ASP CA C 13 50.37 . . . . . . . . . . . 4053 1 863 . 1 1 77 77 ASP CB C 13 41.77 . . . . . . . . . . . 4053 1 864 . 1 1 77 77 ASP N N 15 124.71 . . . . . . . . . . . 4053 1 865 . 1 1 78 78 LYS HA H 1 4.24 . . . . . . . . . . . 4053 1 866 . 1 1 78 78 LYS HB2 H 1 1.82 . . . . . . . . . . . 4053 1 867 . 1 1 78 78 LYS HB3 H 1 1.91 . . . . . . . . . . . 4053 1 868 . 1 1 78 78 LYS HG2 H 1 0.77 . . . . . . . . . . . 4053 1 869 . 1 1 78 78 LYS HG3 H 1 0.90 . . . . . . . . . . . 4053 1 870 . 1 1 78 78 LYS HD2 H 1 1.57 . . . . . . . . . . . 4053 1 871 . 1 1 78 78 LYS HD3 H 1 1.61 . . . . . . . . . . . 4053 1 872 . 1 1 78 78 LYS HE2 H 1 3.13 . . . . . . . . . . . 4053 1 873 . 1 1 78 78 LYS HE3 H 1 3.13 . . . . . . . . . . . 4053 1 874 . 1 1 78 78 LYS H H 1 10.31 . . . . . . . . . . . 4053 1 875 . 1 1 78 78 LYS C C 13 175.37 . . . . . . . . . . . 4053 1 876 . 1 1 78 78 LYS CA C 13 56.37 . . . . . . . . . . . 4053 1 877 . 1 1 78 78 LYS CB C 13 32.07 . . . . . . . . . . . 4053 1 878 . 1 1 78 78 LYS N N 15 120.61 . . . . . . . . . . . 4053 1 879 . 1 1 79 79 GLY HA2 H 1 3.33 . . . . . . . . . . . 4053 1 880 . 1 1 79 79 GLY HA3 H 1 4.42 . . . . . . . . . . . 4053 1 881 . 1 1 79 79 GLY H H 1 8.64 . . . . . . . . . . . 4053 1 882 . 1 1 79 79 GLY C C 13 171.87 . . . . . . . . . . . 4053 1 883 . 1 1 79 79 GLY CA C 13 43.07 . . . . . . . . . . . 4053 1 884 . 1 1 79 79 GLY N N 15 112.21 . . . . . . . . . . . 4053 1 885 . 1 1 80 80 GLN HA H 1 4.14 . . . . . . . . . . . 4053 1 886 . 1 1 80 80 GLN HB2 H 1 2.00 . . . . . . . . . . . 4053 1 887 . 1 1 80 80 GLN HB3 H 1 2.11 . . . . . . . . . . . 4053 1 888 . 1 1 80 80 GLN HG2 H 1 2.47 . . . . . . . . . . . 4053 1 889 . 1 1 80 80 GLN HG3 H 1 2.47 . . . . . . . . . . . 4053 1 890 . 1 1 80 80 GLN H H 1 8.68 . . . . . . . . . . . 4053 1 891 . 1 1 80 80 GLN C C 13 175.27 . . . . . . . . . . . 4053 1 892 . 1 1 80 80 GLN CA C 13 55.47 . . . . . . . . . . . 4053 1 893 . 1 1 80 80 GLN CB C 13 27.87 . . . . . . . . . . . 4053 1 894 . 1 1 80 80 GLN CG C 13 125.57 . . . . . . . . . . . 4053 1 895 . 1 1 81 81 ARG HA H 1 4.16 . . . . . . . . . . . 4053 1 896 . 1 1 81 81 ARG HB2 H 1 1.62 . . . . . . . . . . . 4053 1 897 . 1 1 81 81 ARG HB3 H 1 1.76 . . . . . . . . . . . 4053 1 898 . 1 1 81 81 ARG HG2 H 1 1.41 . . . . . . . . . . . 4053 1 899 . 1 1 81 81 ARG HG3 H 1 1.41 . . . . . . . . . . . 4053 1 900 . 1 1 81 81 ARG HD2 H 1 3.01 . . . . . . . . . . . 4053 1 901 . 1 1 81 81 ARG HD3 H 1 3.01 . . . . . . . . . . . 4053 1 902 . 1 1 81 81 ARG H H 1 8.55 . . . . . . . . . . . 4053 1 903 . 1 1 81 81 ARG C C 13 174.47 . . . . . . . . . . . 4053 1 904 . 1 1 81 81 ARG CA C 13 56.27 . . . . . . . . . . . 4053 1 905 . 1 1 81 81 ARG CB C 13 32.07 . . . . . . . . . . . 4053 1 906 . 1 1 81 81 ARG N N 15 121.91 . . . . . . . . . . . 4053 1 907 . 1 1 82 82 THR HA H 1 5.56 . . . . . . . . . . . 4053 1 908 . 1 1 82 82 THR HB H 1 3.84 . . . . . . . . . . . 4053 1 909 . 1 1 82 82 THR HG21 H 1 0.96 . . . . . . . . . . . 4053 1 910 . 1 1 82 82 THR HG22 H 1 0.96 . . . . . . . . . . . 4053 1 911 . 1 1 82 82 THR HG23 H 1 0.96 . . . . . . . . . . . 4053 1 912 . 1 1 82 82 THR H H 1 7.33 . . . . . . . . . . . 4053 1 913 . 1 1 82 82 THR C C 13 172.87 . . . . . . . . . . . 4053 1 914 . 1 1 82 82 THR CA C 13 56.77 . . . . . . . . . . . 4053 1 915 . 1 1 82 82 THR CB C 13 71.07 . . . . . . . . . . . 4053 1 916 . 1 1 82 82 THR CG2 C 13 19.87 . . . . . . . . . . . 4053 1 917 . 1 1 82 82 THR N N 15 108.81 . . . . . . . . . . . 4053 1 918 . 1 1 83 83 ASP HA H 1 4.64 . . . . . . . . . . . 4053 1 919 . 1 1 83 83 ASP HB2 H 1 2.41 . . . . . . . . . . . 4053 1 920 . 1 1 83 83 ASP HB3 H 1 2.94 . . . . . . . . . . . 4053 1 921 . 1 1 83 83 ASP H H 1 8.75 . . . . . . . . . . . 4053 1 922 . 1 1 83 83 ASP C C 13 177.37 . . . . . . . . . . . 4053 1 923 . 1 1 83 83 ASP CA C 13 50.27 . . . . . . . . . . . 4053 1 924 . 1 1 83 83 ASP CB C 13 40.47 . . . . . . . . . . . 4053 1 925 . 1 1 83 83 ASP N N 15 122.81 . . . . . . . . . . . 4053 1 926 . 1 1 84 84 LYS HA H 1 4.07 . . . . . . . . . . . 4053 1 927 . 1 1 84 84 LYS HB2 H 1 1.50 . . . . . . . . . . . 4053 1 928 . 1 1 84 84 LYS HB3 H 1 1.66 . . . . . . . . . . . 4053 1 929 . 1 1 84 84 LYS HG2 H 1 0.10 . . . . . . . . . . . 4053 1 930 . 1 1 84 84 LYS HG3 H 1 0.90 . . . . . . . . . . . 4053 1 931 . 1 1 84 84 LYS HD2 H 1 1.45 . . . . . . . . . . . 4053 1 932 . 1 1 84 84 LYS HD3 H 1 1.45 . . . . . . . . . . . 4053 1 933 . 1 1 84 84 LYS HE2 H 1 2.72 . . . . . . . . . . . 4053 1 934 . 1 1 84 84 LYS HE3 H 1 2.72 . . . . . . . . . . . 4053 1 935 . 1 1 84 84 LYS H H 1 7.76 . . . . . . . . . . . 4053 1 936 . 1 1 84 84 LYS C C 13 174.37 . . . . . . . . . . . 4053 1 937 . 1 1 84 84 LYS CA C 13 56.07 . . . . . . . . . . . 4053 1 938 . 1 1 84 84 LYS CB C 13 29.67 . . . . . . . . . . . 4053 1 939 . 1 1 84 84 LYS N N 15 116.81 . . . . . . . . . . . 4053 1 940 . 1 1 85 85 TYR HA H 1 4.65 . . . . . . . . . . . 4053 1 941 . 1 1 85 85 TYR HB2 H 1 2.85 . . . . . . . . . . . 4053 1 942 . 1 1 85 85 TYR HB3 H 1 3.36 . . . . . . . . . . . 4053 1 943 . 1 1 85 85 TYR HD1 H 1 7.02 . . . . . . . . . . . 4053 1 944 . 1 1 85 85 TYR HD2 H 1 7.02 . . . . . . . . . . . 4053 1 945 . 1 1 85 85 TYR HE1 H 1 6.91 . . . . . . . . . . . 4053 1 946 . 1 1 85 85 TYR HE2 H 1 6.91 . . . . . . . . . . . 4053 1 947 . 1 1 85 85 TYR H H 1 8.15 . . . . . . . . . . . 4053 1 948 . 1 1 85 85 TYR C C 13 174.37 . . . . . . . . . . . 4053 1 949 . 1 1 85 85 TYR CA C 13 55.87 . . . . . . . . . . . 4053 1 950 . 1 1 85 85 TYR CB C 13 36.67 . . . . . . . . . . . 4053 1 951 . 1 1 85 85 TYR CG C 13 129.87 . . . . . . . . . . . 4053 1 952 . 1 1 85 85 TYR CD1 C 13 131.07 . . . . . . . . . . . 4053 1 953 . 1 1 85 85 TYR CD2 C 13 131.07 . . . . . . . . . . . 4053 1 954 . 1 1 85 85 TYR CE1 C 13 116.87 . . . . . . . . . . . 4053 1 955 . 1 1 85 85 TYR CE2 C 13 116.87 . . . . . . . . . . . 4053 1 956 . 1 1 85 85 TYR CZ C 13 156.17 . . . . . . . . . . . 4053 1 957 . 1 1 85 85 TYR N N 15 121.51 . . . . . . . . . . . 4053 1 958 . 1 1 86 86 GLY HA2 H 1 3.61 . . . . . . . . . . . 4053 1 959 . 1 1 86 86 GLY HA3 H 1 4.21 . . . . . . . . . . . 4053 1 960 . 1 1 86 86 GLY H H 1 8.18 . . . . . . . . . . . 4053 1 961 . 1 1 86 86 GLY C C 13 172.57 . . . . . . . . . . . 4053 1 962 . 1 1 86 86 GLY CA C 13 43.77 . . . . . . . . . . . 4053 1 963 . 1 1 86 86 GLY N N 15 110.31 . . . . . . . . . . . 4053 1 964 . 1 1 87 87 ARG HA H 1 4.39 . . . . . . . . . . . 4053 1 965 . 1 1 87 87 ARG HB2 H 1 1.69 . . . . . . . . . . . 4053 1 966 . 1 1 87 87 ARG HB3 H 1 1.99 . . . . . . . . . . . 4053 1 967 . 1 1 87 87 ARG HG2 H 1 1.20 . . . . . . . . . . . 4053 1 968 . 1 1 87 87 ARG HG3 H 1 1.30 . . . . . . . . . . . 4053 1 969 . 1 1 87 87 ARG H H 1 8.67 . . . . . . . . . . . 4053 1 970 . 1 1 87 87 ARG C C 13 175.37 . . . . . . . . . . . 4053 1 971 . 1 1 87 87 ARG CA C 13 53.67 . . . . . . . . . . . 4053 1 972 . 1 1 87 87 ARG CG C 13 26.97 . . . . . . . . . . . 4053 1 973 . 1 1 87 87 ARG N N 15 122.81 . . . . . . . . . . . 4053 1 974 . 1 1 88 88 GLY HA2 H 1 2.68 . . . . . . . . . . . 4053 1 975 . 1 1 88 88 GLY HA3 H 1 4.46 . . . . . . . . . . . 4053 1 976 . 1 1 88 88 GLY H H 1 8.80 . . . . . . . . . . . 4053 1 977 . 1 1 88 88 GLY C C 13 170.27 . . . . . . . . . . . 4053 1 978 . 1 1 88 88 GLY CA C 13 43.37 . . . . . . . . . . . 4053 1 979 . 1 1 88 88 GLY N N 15 109.71 . . . . . . . . . . . 4053 1 980 . 1 1 89 89 LEU HA H 1 5.21 . . . . . . . . . . . 4053 1 981 . 1 1 89 89 LEU HB2 H 1 1.12 . . . . . . . . . . . 4053 1 982 . 1 1 89 89 LEU HB3 H 1 1.70 . . . . . . . . . . . 4053 1 983 . 1 1 89 89 LEU HG H 1 1.44 . . . . . . . . . . . 4053 1 984 . 1 1 89 89 LEU HD11 H 1 0.65 . . . . . . . . . . . 4053 1 985 . 1 1 89 89 LEU HD12 H 1 0.65 . . . . . . . . . . . 4053 1 986 . 1 1 89 89 LEU HD13 H 1 0.65 . . . . . . . . . . . 4053 1 987 . 1 1 89 89 LEU HD21 H 1 0.66 . . . . . . . . . . . 4053 1 988 . 1 1 89 89 LEU HD22 H 1 0.66 . . . . . . . . . . . 4053 1 989 . 1 1 89 89 LEU HD23 H 1 0.66 . . . . . . . . . . . 4053 1 990 . 1 1 89 89 LEU H H 1 8.32 . . . . . . . . . . . 4053 1 991 . 1 1 89 89 LEU C C 13 173.07 . . . . . . . . . . . 4053 1 992 . 1 1 89 89 LEU CA C 13 51.17 . . . . . . . . . . . 4053 1 993 . 1 1 89 89 LEU CB C 13 41.27 . . . . . . . . . . . 4053 1 994 . 1 1 89 89 LEU CD1 C 13 20.47 . . . . . . . . . . . 4053 1 995 . 1 1 89 89 LEU CD2 C 13 23.37 . . . . . . . . . . . 4053 1 996 . 1 1 89 89 LEU N N 15 127.51 . . . . . . . . . . . 4053 1 997 . 1 1 90 90 ALA HA H 1 4.81 . . . . . . . . . . . 4053 1 998 . 1 1 90 90 ALA HB1 H 1 0.75 . . . . . . . . . . . 4053 1 999 . 1 1 90 90 ALA HB2 H 1 0.75 . . . . . . . . . . . 4053 1 1000 . 1 1 90 90 ALA HB3 H 1 0.75 . . . . . . . . . . . 4053 1 1001 . 1 1 90 90 ALA H H 1 7.32 . . . . . . . . . . . 4053 1 1002 . 1 1 90 90 ALA C C 13 175.57 . . . . . . . . . . . 4053 1 1003 . 1 1 90 90 ALA CA C 13 49.07 . . . . . . . . . . . 4053 1 1004 . 1 1 90 90 ALA CB C 13 22.37 . . . . . . . . . . . 4053 1 1005 . 1 1 90 90 ALA N N 15 121.51 . . . . . . . . . . . 4053 1 1006 . 1 1 91 91 TYR HA H 1 4.63 . . . . . . . . . . . 4053 1 1007 . 1 1 91 91 TYR HB2 H 1 2.78 . . . . . . . . . . . 4053 1 1008 . 1 1 91 91 TYR HB3 H 1 3.40 . . . . . . . . . . . 4053 1 1009 . 1 1 91 91 TYR HD1 H 1 7.15 . . . . . . . . . . . 4053 1 1010 . 1 1 91 91 TYR HD2 H 1 7.15 . . . . . . . . . . . 4053 1 1011 . 1 1 91 91 TYR HE1 H 1 6.58 . . . . . . . . . . . 4053 1 1012 . 1 1 91 91 TYR HE2 H 1 6.58 . . . . . . . . . . . 4053 1 1013 . 1 1 91 91 TYR H H 1 9.02 . . . . . . . . . . . 4053 1 1014 . 1 1 91 91 TYR C C 13 172.87 . . . . . . . . . . . 4053 1 1015 . 1 1 91 91 TYR CA C 13 56.17 . . . . . . . . . . . 4053 1 1016 . 1 1 91 91 TYR CB C 13 36.17 . . . . . . . . . . . 4053 1 1017 . 1 1 91 91 TYR CE1 C 13 116.57 . . . . . . . . . . . 4053 1 1018 . 1 1 91 91 TYR CE2 C 13 116.57 . . . . . . . . . . . 4053 1 1019 . 1 1 91 91 TYR N N 15 123.61 . . . . . . . . . . . 4053 1 1020 . 1 1 92 92 ILE HA H 1 4.97 . . . . . . . . . . . 4053 1 1021 . 1 1 92 92 ILE HB H 1 1.46 . . . . . . . . . . . 4053 1 1022 . 1 1 92 92 ILE HG12 H 1 0.98 . . . . . . . . . . . 4053 1 1023 . 1 1 92 92 ILE HG13 H 1 1.17 . . . . . . . . . . . 4053 1 1024 . 1 1 92 92 ILE HG21 H 1 0.64 . . . . . . . . . . . 4053 1 1025 . 1 1 92 92 ILE HG22 H 1 0.64 . . . . . . . . . . . 4053 1 1026 . 1 1 92 92 ILE HG23 H 1 0.64 . . . . . . . . . . . 4053 1 1027 . 1 1 92 92 ILE HD11 H 1 0.34 . . . . . . . . . . . 4053 1 1028 . 1 1 92 92 ILE HD12 H 1 0.34 . . . . . . . . . . . 4053 1 1029 . 1 1 92 92 ILE HD13 H 1 0.34 . . . . . . . . . . . 4053 1 1030 . 1 1 92 92 ILE H H 1 7.79 . . . . . . . . . . . 4053 1 1031 . 1 1 92 92 ILE C C 13 171.97 . . . . . . . . . . . 4053 1 1032 . 1 1 92 92 ILE CA C 13 57.17 . . . . . . . . . . . 4053 1 1033 . 1 1 92 92 ILE CB C 13 37.57 . . . . . . . . . . . 4053 1 1034 . 1 1 92 92 ILE CG2 C 13 15.07 . . . . . . . . . . . 4053 1 1035 . 1 1 92 92 ILE CD1 C 13 10.67 . . . . . . . . . . . 4053 1 1036 . 1 1 92 92 ILE N N 15 123.51 . . . . . . . . . . . 4053 1 1037 . 1 1 93 93 TYR HA H 1 5.11 . . . . . . . . . . . 4053 1 1038 . 1 1 93 93 TYR HB2 H 1 2.36 . . . . . . . . . . . 4053 1 1039 . 1 1 93 93 TYR HB3 H 1 2.84 . . . . . . . . . . . 4053 1 1040 . 1 1 93 93 TYR HD1 H 1 6.63 . . . . . . . . . . . 4053 1 1041 . 1 1 93 93 TYR HD2 H 1 6.63 . . . . . . . . . . . 4053 1 1042 . 1 1 93 93 TYR HE1 H 1 6.73 . . . . . . . . . . . 4053 1 1043 . 1 1 93 93 TYR HE2 H 1 6.73 . . . . . . . . . . . 4053 1 1044 . 1 1 93 93 TYR H H 1 9.52 . . . . . . . . . . . 4053 1 1045 . 1 1 93 93 TYR C C 13 172.27 . . . . . . . . . . . 4053 1 1046 . 1 1 93 93 TYR CA C 13 54.67 . . . . . . . . . . . 4053 1 1047 . 1 1 93 93 TYR CB C 13 39.77 . . . . . . . . . . . 4053 1 1048 . 1 1 93 93 TYR CG C 13 130.47 . . . . . . . . . . . 4053 1 1049 . 1 1 93 93 TYR CD1 C 13 130.97 . . . . . . . . . . . 4053 1 1050 . 1 1 93 93 TYR CD2 C 13 130.97 . . . . . . . . . . . 4053 1 1051 . 1 1 93 93 TYR CE1 C 13 116.37 . . . . . . . . . . . 4053 1 1052 . 1 1 93 93 TYR CE2 C 13 116.37 . . . . . . . . . . . 4053 1 1053 . 1 1 93 93 TYR CZ C 13 156.47 . . . . . . . . . . . 4053 1 1054 . 1 1 93 93 TYR N N 15 127.81 . . . . . . . . . . . 4053 1 1055 . 1 1 94 94 ALA HA H 1 4.98 . . . . . . . . . . . 4053 1 1056 . 1 1 94 94 ALA HB1 H 1 1.13 . . . . . . . . . . . 4053 1 1057 . 1 1 94 94 ALA HB2 H 1 1.13 . . . . . . . . . . . 4053 1 1058 . 1 1 94 94 ALA HB3 H 1 1.13 . . . . . . . . . . . 4053 1 1059 . 1 1 94 94 ALA H H 1 9.23 . . . . . . . . . . . 4053 1 1060 . 1 1 94 94 ALA C C 13 173.97 . . . . . . . . . . . 4053 1 1061 . 1 1 94 94 ALA CA C 13 48.17 . . . . . . . . . . . 4053 1 1062 . 1 1 94 94 ALA CB C 13 19.37 . . . . . . . . . . . 4053 1 1063 . 1 1 94 94 ALA N N 15 127.21 . . . . . . . . . . . 4053 1 1064 . 1 1 95 95 ASP HA H 1 4.43 . . . . . . . . . . . 4053 1 1065 . 1 1 95 95 ASP HB2 H 1 2.74 . . . . . . . . . . . 4053 1 1066 . 1 1 95 95 ASP HB3 H 1 2.95 . . . . . . . . . . . 4053 1 1067 . 1 1 95 95 ASP H H 1 9.65 . . . . . . . . . . . 4053 1 1068 . 1 1 95 95 ASP C C 13 174.37 . . . . . . . . . . . 4053 1 1069 . 1 1 95 95 ASP CA C 13 54.77 . . . . . . . . . . . 4053 1 1070 . 1 1 95 95 ASP CB C 13 38.07 . . . . . . . . . . . 4053 1 1071 . 1 1 95 95 ASP N N 15 128.81 . . . . . . . . . . . 4053 1 1072 . 1 1 96 96 GLY HA2 H 1 3.67 . . . . . . . . . . . 4053 1 1073 . 1 1 96 96 GLY HA3 H 1 4.25 . . . . . . . . . . . 4053 1 1074 . 1 1 96 96 GLY H H 1 9.28 . . . . . . . . . . . 4053 1 1075 . 1 1 96 96 GLY C C 13 172.17 . . . . . . . . . . . 4053 1 1076 . 1 1 96 96 GLY CA C 13 43.67 . . . . . . . . . . . 4053 1 1077 . 1 1 96 96 GLY N N 15 104.31 . . . . . . . . . . . 4053 1 1078 . 1 1 97 97 LYS HA H 1 4.66 . . . . . . . . . . . 4053 1 1079 . 1 1 97 97 LYS HB2 H 1 1.74 . . . . . . . . . . . 4053 1 1080 . 1 1 97 97 LYS HB3 H 1 1.85 . . . . . . . . . . . 4053 1 1081 . 1 1 97 97 LYS HG2 H 1 1.42 . . . . . . . . . . . 4053 1 1082 . 1 1 97 97 LYS HG3 H 1 1.42 . . . . . . . . . . . 4053 1 1083 . 1 1 97 97 LYS HD2 H 1 1.74 . . . . . . . . . . . 4053 1 1084 . 1 1 97 97 LYS HD3 H 1 1.74 . . . . . . . . . . . 4053 1 1085 . 1 1 97 97 LYS HE2 H 1 3.06 . . . . . . . . . . . 4053 1 1086 . 1 1 97 97 LYS HE3 H 1 3.06 . . . . . . . . . . . 4053 1 1087 . 1 1 97 97 LYS H H 1 7.86 . . . . . . . . . . . 4053 1 1088 . 1 1 97 97 LYS C C 13 174.37 . . . . . . . . . . . 4053 1 1089 . 1 1 97 97 LYS CA C 13 52.67 . . . . . . . . . . . 4053 1 1090 . 1 1 97 97 LYS CB C 13 31.67 . . . . . . . . . . . 4053 1 1091 . 1 1 97 97 LYS N N 15 122.81 . . . . . . . . . . . 4053 1 1092 . 1 1 98 98 MET HA H 1 3.83 . . . . . . . . . . . 4053 1 1093 . 1 1 98 98 MET HB2 H 1 1.93 . . . . . . . . . . . 4053 1 1094 . 1 1 98 98 MET HB3 H 1 1.98 . . . . . . . . . . . 4053 1 1095 . 1 1 98 98 MET HG2 H 1 2.36 . . . . . . . . . . . 4053 1 1096 . 1 1 98 98 MET HG3 H 1 2.36 . . . . . . . . . . . 4053 1 1097 . 1 1 98 98 MET HE1 H 1 1.44 . . . . . . . . . . . 4053 1 1098 . 1 1 98 98 MET HE2 H 1 1.44 . . . . . . . . . . . 4053 1 1099 . 1 1 98 98 MET HE3 H 1 1.44 . . . . . . . . . . . 4053 1 1100 . 1 1 98 98 MET H H 1 9.23 . . . . . . . . . . . 4053 1 1101 . 1 1 98 98 MET C C 13 175.87 . . . . . . . . . . . 4053 1 1102 . 1 1 98 98 MET CA C 13 54.47 . . . . . . . . . . . 4053 1 1103 . 1 1 98 98 MET CB C 13 32.87 . . . . . . . . . . . 4053 1 1104 . 1 1 98 98 MET CG C 13 27.27 . . . . . . . . . . . 4053 1 1105 . 1 1 98 98 MET N N 15 128.21 . . . . . . . . . . . 4053 1 1106 . 1 1 99 99 VAL HA H 1 3.70 . . . . . . . . . . . 4053 1 1107 . 1 1 99 99 VAL HB H 1 1.83 . . . . . . . . . . . 4053 1 1108 . 1 1 99 99 VAL HG11 H 1 0.98 . . . . . . . . . . . 4053 1 1109 . 1 1 99 99 VAL HG12 H 1 0.98 . . . . . . . . . . . 4053 1 1110 . 1 1 99 99 VAL HG13 H 1 0.98 . . . . . . . . . . . 4053 1 1111 . 1 1 99 99 VAL HG21 H 1 1.05 . . . . . . . . . . . 4053 1 1112 . 1 1 99 99 VAL HG22 H 1 1.05 . . . . . . . . . . . 4053 1 1113 . 1 1 99 99 VAL HG23 H 1 1.05 . . . . . . . . . . . 4053 1 1114 . 1 1 99 99 VAL H H 1 10.10 . . . . . . . . . . . 4053 1 1115 . 1 1 99 99 VAL C C 13 175.47 . . . . . . . . . . . 4053 1 1116 . 1 1 99 99 VAL CA C 13 64.47 . . . . . . . . . . . 4053 1 1117 . 1 1 99 99 VAL CB C 13 30.97 . . . . . . . . . . . 4053 1 1118 . 1 1 99 99 VAL CG1 C 13 19.27 . . . . . . . . . . . 4053 1 1119 . 1 1 99 99 VAL CG2 C 13 19.97 . . . . . . . . . . . 4053 1 1120 . 1 1 99 99 VAL N N 15 137.41 . . . . . . . . . . . 4053 1 1121 . 1 1 100 100 ASN HA H 1 4.07 . . . . . . . . . . . 4053 1 1122 . 1 1 100 100 ASN HB2 H 1 2.79 . . . . . . . . . . . 4053 1 1123 . 1 1 100 100 ASN HB3 H 1 2.93 . . . . . . . . . . . 4053 1 1124 . 1 1 100 100 ASN H H 1 9.58 . . . . . . . . . . . 4053 1 1125 . 1 1 100 100 ASN HD21 H 1 9.58 . . . . . . . . . . . 4053 1 1126 . 1 1 100 100 ASN HD22 H 1 6.27 . . . . . . . . . . . 4053 1 1127 . 1 1 100 100 ASN C C 13 172.47 . . . . . . . . . . . 4053 1 1128 . 1 1 100 100 ASN CA C 13 55.57 . . . . . . . . . . . 4053 1 1129 . 1 1 100 100 ASN CB C 13 33.17 . . . . . . . . . . . 4053 1 1130 . 1 1 100 100 ASN N N 15 109.61 . . . . . . . . . . . 4053 1 1131 . 1 1 100 100 ASN ND2 N 15 121.31 . . . . . . . . . . . 4053 1 1132 . 1 1 101 101 GLU HA H 1 3.69 . . . . . . . . . . . 4053 1 1133 . 1 1 101 101 GLU HB2 H 1 1.90 . . . . . . . . . . . 4053 1 1134 . 1 1 101 101 GLU HB3 H 1 2.25 . . . . . . . . . . . 4053 1 1135 . 1 1 101 101 GLU HG2 H 1 2.10 . . . . . . . . . . . 4053 1 1136 . 1 1 101 101 GLU HG3 H 1 2.10 . . . . . . . . . . . 4053 1 1137 . 1 1 101 101 GLU H H 1 6.15 . . . . . . . . . . . 4053 1 1138 . 1 1 101 101 GLU C C 13 174.47 . . . . . . . . . . . 4053 1 1139 . 1 1 101 101 GLU CA C 13 57.97 . . . . . . . . . . . 4053 1 1140 . 1 1 101 101 GLU CB C 13 28.47 . . . . . . . . . . . 4053 1 1141 . 1 1 101 101 GLU N N 15 114.21 . . . . . . . . . . . 4053 1 1142 . 1 1 102 102 ALA HA H 1 4.08 . . . . . . . . . . . 4053 1 1143 . 1 1 102 102 ALA HB1 H 1 1.69 . . . . . . . . . . . 4053 1 1144 . 1 1 102 102 ALA HB2 H 1 1.69 . . . . . . . . . . . 4053 1 1145 . 1 1 102 102 ALA HB3 H 1 1.69 . . . . . . . . . . . 4053 1 1146 . 1 1 102 102 ALA H H 1 7.84 . . . . . . . . . . . 4053 1 1147 . 1 1 102 102 ALA C C 13 177.97 . . . . . . . . . . . 4053 1 1148 . 1 1 102 102 ALA CA C 13 53.67 . . . . . . . . . . . 4053 1 1149 . 1 1 102 102 ALA CB C 13 16.67 . . . . . . . . . . . 4053 1 1150 . 1 1 102 102 ALA N N 15 124.31 . . . . . . . . . . . 4053 1 1151 . 1 1 103 103 LEU HA H 1 3.34 . . . . . . . . . . . 4053 1 1152 . 1 1 103 103 LEU HB2 H 1 1.02 . . . . . . . . . . . 4053 1 1153 . 1 1 103 103 LEU HB3 H 1 1.72 . . . . . . . . . . . 4053 1 1154 . 1 1 103 103 LEU HG H 1 1.64 . . . . . . . . . . . 4053 1 1155 . 1 1 103 103 LEU HD11 H 1 0.78 . . . . . . . . . . . 4053 1 1156 . 1 1 103 103 LEU HD12 H 1 0.78 . . . . . . . . . . . 4053 1 1157 . 1 1 103 103 LEU HD13 H 1 0.78 . . . . . . . . . . . 4053 1 1158 . 1 1 103 103 LEU HD21 H 1 0.87 . . . . . . . . . . . 4053 1 1159 . 1 1 103 103 LEU HD22 H 1 0.87 . . . . . . . . . . . 4053 1 1160 . 1 1 103 103 LEU HD23 H 1 0.87 . . . . . . . . . . . 4053 1 1161 . 1 1 103 103 LEU H H 1 8.00 . . . . . . . . . . . 4053 1 1162 . 1 1 103 103 LEU C C 13 177.27 . . . . . . . . . . . 4053 1 1163 . 1 1 103 103 LEU CA C 13 56.27 . . . . . . . . . . . 4053 1 1164 . 1 1 103 103 LEU CB C 13 44.07 . . . . . . . . . . . 4053 1 1165 . 1 1 103 103 LEU CD1 C 13 22.47 . . . . . . . . . . . 4053 1 1166 . 1 1 103 103 LEU CD2 C 13 25.47 . . . . . . . . . . . 4053 1 1167 . 1 1 103 103 LEU N N 15 116.91 . . . . . . . . . . . 4053 1 1168 . 1 1 104 104 VAL HA H 1 3.98 . . . . . . . . . . . 4053 1 1169 . 1 1 104 104 VAL HB H 1 2.10 . . . . . . . . . . . 4053 1 1170 . 1 1 104 104 VAL HG11 H 1 1.05 . . . . . . . . . . . 4053 1 1171 . 1 1 104 104 VAL HG12 H 1 1.05 . . . . . . . . . . . 4053 1 1172 . 1 1 104 104 VAL HG13 H 1 1.05 . . . . . . . . . . . 4053 1 1173 . 1 1 104 104 VAL HG21 H 1 1.05 . . . . . . . . . . . 4053 1 1174 . 1 1 104 104 VAL HG22 H 1 1.05 . . . . . . . . . . . 4053 1 1175 . 1 1 104 104 VAL HG23 H 1 1.05 . . . . . . . . . . . 4053 1 1176 . 1 1 104 104 VAL H H 1 6.87 . . . . . . . . . . . 4053 1 1177 . 1 1 104 104 VAL C C 13 178.47 . . . . . . . . . . . 4053 1 1178 . 1 1 104 104 VAL CA C 13 63.27 . . . . . . . . . . . 4053 1 1179 . 1 1 104 104 VAL CB C 13 30.47 . . . . . . . . . . . 4053 1 1180 . 1 1 104 104 VAL CG1 C 13 21.07 . . . . . . . . . . . 4053 1 1181 . 1 1 104 104 VAL CG2 C 13 22.47 . . . . . . . . . . . 4053 1 1182 . 1 1 104 104 VAL N N 15 117.81 . . . . . . . . . . . 4053 1 1183 . 1 1 105 105 ARG HA H 1 4.13 . . . . . . . . . . . 4053 1 1184 . 1 1 105 105 ARG HB2 H 1 2.00 . . . . . . . . . . . 4053 1 1185 . 1 1 105 105 ARG HB3 H 1 2.00 . . . . . . . . . . . 4053 1 1186 . 1 1 105 105 ARG H H 1 9.04 . . . . . . . . . . . 4053 1 1187 . 1 1 105 105 ARG C C 13 174.37 . . . . . . . . . . . 4053 1 1188 . 1 1 105 105 ARG CA C 13 55.57 . . . . . . . . . . . 4053 1 1189 . 1 1 105 105 ARG CB C 13 30.27 . . . . . . . . . . . 4053 1 1190 . 1 1 105 105 ARG CG C 13 27.77 . . . . . . . . . . . 4053 1 1191 . 1 1 105 105 ARG N N 15 124.21 . . . . . . . . . . . 4053 1 1192 . 1 1 106 106 GLN HA H 1 4.33 . . . . . . . . . . . 4053 1 1193 . 1 1 106 106 GLN HB2 H 1 1.49 . . . . . . . . . . . 4053 1 1194 . 1 1 106 106 GLN HB3 H 1 1.99 . . . . . . . . . . . 4053 1 1195 . 1 1 106 106 GLN HG2 H 1 2.28 . . . . . . . . . . . 4053 1 1196 . 1 1 106 106 GLN HG3 H 1 2.38 . . . . . . . . . . . 4053 1 1197 . 1 1 106 106 GLN H H 1 7.15 . . . . . . . . . . . 4053 1 1198 . 1 1 106 106 GLN C C 13 173.97 . . . . . . . . . . . 4053 1 1199 . 1 1 106 106 GLN CA C 13 52.37 . . . . . . . . . . . 4053 1 1200 . 1 1 106 106 GLN CB C 13 26.87 . . . . . . . . . . . 4053 1 1201 . 1 1 106 106 GLN N N 15 113.41 . . . . . . . . . . . 4053 1 1202 . 1 1 107 107 GLY HA2 H 1 4.01 . . . . . . . . . . . 4053 1 1203 . 1 1 107 107 GLY HA3 H 1 4.28 . . . . . . . . . . . 4053 1 1204 . 1 1 107 107 GLY H H 1 8.01 . . . . . . . . . . . 4053 1 1205 . 1 1 107 107 GLY C C 13 170.57 . . . . . . . . . . . 4053 1 1206 . 1 1 107 107 GLY CA C 13 44.87 . . . . . . . . . . . 4053 1 1207 . 1 1 107 107 GLY N N 15 108.11 . . . . . . . . . . . 4053 1 1208 . 1 1 108 108 LEU HA H 1 4.30 . . . . . . . . . . . 4053 1 1209 . 1 1 108 108 LEU HB2 H 1 1.22 . . . . . . . . . . . 4053 1 1210 . 1 1 108 108 LEU HB3 H 1 1.45 . . . . . . . . . . . 4053 1 1211 . 1 1 108 108 LEU HG H 1 1.21 . . . . . . . . . . . 4053 1 1212 . 1 1 108 108 LEU HD11 H 1 0.45 . . . . . . . . . . . 4053 1 1213 . 1 1 108 108 LEU HD12 H 1 0.45 . . . . . . . . . . . 4053 1 1214 . 1 1 108 108 LEU HD13 H 1 0.45 . . . . . . . . . . . 4053 1 1215 . 1 1 108 108 LEU HD21 H 1 0.75 . . . . . . . . . . . 4053 1 1216 . 1 1 108 108 LEU HD22 H 1 0.75 . . . . . . . . . . . 4053 1 1217 . 1 1 108 108 LEU HD23 H 1 0.75 . . . . . . . . . . . 4053 1 1218 . 1 1 108 108 LEU H H 1 7.76 . . . . . . . . . . . 4053 1 1219 . 1 1 108 108 LEU C C 13 171.27 . . . . . . . . . . . 4053 1 1220 . 1 1 108 108 LEU CA C 13 51.97 . . . . . . . . . . . 4053 1 1221 . 1 1 108 108 LEU CB C 13 42.17 . . . . . . . . . . . 4053 1 1222 . 1 1 108 108 LEU CD1 C 13 21.07 . . . . . . . . . . . 4053 1 1223 . 1 1 108 108 LEU CD2 C 13 24.27 . . . . . . . . . . . 4053 1 1224 . 1 1 108 108 LEU N N 15 116.51 . . . . . . . . . . . 4053 1 1225 . 1 1 109 109 ALA HA H 1 4.53 . . . . . . . . . . . 4053 1 1226 . 1 1 109 109 ALA HB1 H 1 1.03 . . . . . . . . . . . 4053 1 1227 . 1 1 109 109 ALA HB2 H 1 1.03 . . . . . . . . . . . 4053 1 1228 . 1 1 109 109 ALA HB3 H 1 1.03 . . . . . . . . . . . 4053 1 1229 . 1 1 109 109 ALA H H 1 6.92 . . . . . . . . . . . 4053 1 1230 . 1 1 109 109 ALA C C 13 173.17 . . . . . . . . . . . 4053 1 1231 . 1 1 109 109 ALA CA C 13 47.87 . . . . . . . . . . . 4053 1 1232 . 1 1 109 109 ALA CB C 13 23.47 . . . . . . . . . . . 4053 1 1233 . 1 1 109 109 ALA N N 15 114.81 . . . . . . . . . . . 4053 1 1234 . 1 1 110 110 LYS HA H 1 5.13 . . . . . . . . . . . 4053 1 1235 . 1 1 110 110 LYS HB2 H 1 1.83 . . . . . . . . . . . 4053 1 1236 . 1 1 110 110 LYS HB3 H 1 1.83 . . . . . . . . . . . 4053 1 1237 . 1 1 110 110 LYS HG2 H 1 1.20 . . . . . . . . . . . 4053 1 1238 . 1 1 110 110 LYS HG3 H 1 1.36 . . . . . . . . . . . 4053 1 1239 . 1 1 110 110 LYS HD2 H 1 1.63 . . . . . . . . . . . 4053 1 1240 . 1 1 110 110 LYS HD3 H 1 1.63 . . . . . . . . . . . 4053 1 1241 . 1 1 110 110 LYS HE2 H 1 2.54 . . . . . . . . . . . 4053 1 1242 . 1 1 110 110 LYS HE3 H 1 2.65 . . . . . . . . . . . 4053 1 1243 . 1 1 110 110 LYS H H 1 7.59 . . . . . . . . . . . 4053 1 1244 . 1 1 110 110 LYS C C 13 174.37 . . . . . . . . . . . 4053 1 1245 . 1 1 110 110 LYS CA C 13 52.17 . . . . . . . . . . . 4053 1 1246 . 1 1 110 110 LYS CB C 13 33.87 . . . . . . . . . . . 4053 1 1247 . 1 1 110 110 LYS N N 15 118.71 . . . . . . . . . . . 4053 1 1248 . 1 1 111 111 VAL HA H 1 4.71 . . . . . . . . . . . 4053 1 1249 . 1 1 111 111 VAL HB H 1 1.99 . . . . . . . . . . . 4053 1 1250 . 1 1 111 111 VAL HG11 H 1 0.85 . . . . . . . . . . . 4053 1 1251 . 1 1 111 111 VAL HG12 H 1 0.85 . . . . . . . . . . . 4053 1 1252 . 1 1 111 111 VAL HG13 H 1 0.85 . . . . . . . . . . . 4053 1 1253 . 1 1 111 111 VAL HG21 H 1 0.90 . . . . . . . . . . . 4053 1 1254 . 1 1 111 111 VAL HG22 H 1 0.90 . . . . . . . . . . . 4053 1 1255 . 1 1 111 111 VAL HG23 H 1 0.90 . . . . . . . . . . . 4053 1 1256 . 1 1 111 111 VAL H H 1 9.13 . . . . . . . . . . . 4053 1 1257 . 1 1 111 111 VAL C C 13 174.67 . . . . . . . . . . . 4053 1 1258 . 1 1 111 111 VAL CA C 13 61.57 . . . . . . . . . . . 4053 1 1259 . 1 1 111 111 VAL CB C 13 29.07 . . . . . . . . . . . 4053 1 1260 . 1 1 111 111 VAL CG1 C 13 18.77 . . . . . . . . . . . 4053 1 1261 . 1 1 111 111 VAL CG2 C 13 19.67 . . . . . . . . . . . 4053 1 1262 . 1 1 111 111 VAL N N 15 125.11 . . . . . . . . . . . 4053 1 1263 . 1 1 112 112 ALA HA H 1 4.17 . . . . . . . . . . . 4053 1 1264 . 1 1 112 112 ALA HB1 H 1 0.80 . . . . . . . . . . . 4053 1 1265 . 1 1 112 112 ALA HB2 H 1 0.80 . . . . . . . . . . . 4053 1 1266 . 1 1 112 112 ALA HB3 H 1 0.80 . . . . . . . . . . . 4053 1 1267 . 1 1 112 112 ALA H H 1 7.92 . . . . . . . . . . . 4053 1 1268 . 1 1 112 112 ALA C C 13 171.47 . . . . . . . . . . . 4053 1 1269 . 1 1 112 112 ALA CA C 13 49.37 . . . . . . . . . . . 4053 1 1270 . 1 1 112 112 ALA CB C 13 22.87 . . . . . . . . . . . 4053 1 1271 . 1 1 112 112 ALA N N 15 132.71 . . . . . . . . . . . 4053 1 1272 . 1 1 113 113 TYR HA H 1 3.44 . . . . . . . . . . . 4053 1 1273 . 1 1 113 113 TYR HB2 H 1 2.57 . . . . . . . . . . . 4053 1 1274 . 1 1 113 113 TYR HB3 H 1 2.97 . . . . . . . . . . . 4053 1 1275 . 1 1 113 113 TYR HD1 H 1 6.98 . . . . . . . . . . . 4053 1 1276 . 1 1 113 113 TYR HD2 H 1 6.98 . . . . . . . . . . . 4053 1 1277 . 1 1 113 113 TYR HE1 H 1 6.74 . . . . . . . . . . . 4053 1 1278 . 1 1 113 113 TYR HE2 H 1 6.74 . . . . . . . . . . . 4053 1 1279 . 1 1 113 113 TYR H H 1 7.78 . . . . . . . . . . . 4053 1 1280 . 1 1 113 113 TYR C C 13 172.57 . . . . . . . . . . . 4053 1 1281 . 1 1 113 113 TYR CA C 13 55.87 . . . . . . . . . . . 4053 1 1282 . 1 1 113 113 TYR CB C 13 33.17 . . . . . . . . . . . 4053 1 1283 . 1 1 113 113 TYR CG C 13 130.27 . . . . . . . . . . . 4053 1 1284 . 1 1 113 113 TYR CD1 C 13 131.07 . . . . . . . . . . . 4053 1 1285 . 1 1 113 113 TYR CD2 C 13 131.07 . . . . . . . . . . . 4053 1 1286 . 1 1 113 113 TYR CE1 C 13 116.27 . . . . . . . . . . . 4053 1 1287 . 1 1 113 113 TYR CE2 C 13 116.27 . . . . . . . . . . . 4053 1 1288 . 1 1 113 113 TYR CZ C 13 155.87 . . . . . . . . . . . 4053 1 1289 . 1 1 113 113 TYR N N 15 111.91 . . . . . . . . . . . 4053 1 1290 . 1 1 114 114 VAL HA H 1 3.60 . . . . . . . . . . . 4053 1 1291 . 1 1 114 114 VAL HB H 1 1.93 . . . . . . . . . . . 4053 1 1292 . 1 1 114 114 VAL HG11 H 1 0.58 . . . . . . . . . . . 4053 1 1293 . 1 1 114 114 VAL HG12 H 1 0.58 . . . . . . . . . . . 4053 1 1294 . 1 1 114 114 VAL HG13 H 1 0.58 . . . . . . . . . . . 4053 1 1295 . 1 1 114 114 VAL HG21 H 1 0.71 . . . . . . . . . . . 4053 1 1296 . 1 1 114 114 VAL HG22 H 1 0.71 . . . . . . . . . . . 4053 1 1297 . 1 1 114 114 VAL HG23 H 1 0.71 . . . . . . . . . . . 4053 1 1298 . 1 1 114 114 VAL H H 1 7.74 . . . . . . . . . . . 4053 1 1299 . 1 1 114 114 VAL C C 13 173.17 . . . . . . . . . . . 4053 1 1300 . 1 1 114 114 VAL CA C 13 60.87 . . . . . . . . . . . 4053 1 1301 . 1 1 114 114 VAL CB C 13 28.17 . . . . . . . . . . . 4053 1 1302 . 1 1 114 114 VAL CG1 C 13 18.57 . . . . . . . . . . . 4053 1 1303 . 1 1 114 114 VAL CG2 C 13 20.27 . . . . . . . . . . . 4053 1 1304 . 1 1 114 114 VAL N N 15 120.81 . . . . . . . . . . . 4053 1 1305 . 1 1 115 115 TYR HA H 1 5.03 . . . . . . . . . . . 4053 1 1306 . 1 1 115 115 TYR HB2 H 1 3.00 . . . . . . . . . . . 4053 1 1307 . 1 1 115 115 TYR HB3 H 1 3.11 . . . . . . . . . . . 4053 1 1308 . 1 1 115 115 TYR HD1 H 1 7.15 . . . . . . . . . . . 4053 1 1309 . 1 1 115 115 TYR HD2 H 1 7.15 . . . . . . . . . . . 4053 1 1310 . 1 1 115 115 TYR HE1 H 1 6.60 . . . . . . . . . . . 4053 1 1311 . 1 1 115 115 TYR HE2 H 1 6.60 . . . . . . . . . . . 4053 1 1312 . 1 1 115 115 TYR H H 1 8.97 . . . . . . . . . . . 4053 1 1313 . 1 1 115 115 TYR C C 13 173.97 . . . . . . . . . . . 4053 1 1314 . 1 1 115 115 TYR CA C 13 53.27 . . . . . . . . . . . 4053 1 1315 . 1 1 115 115 TYR CB C 13 36.77 . . . . . . . . . . . 4053 1 1316 . 1 1 115 115 TYR CG C 13 129.37 . . . . . . . . . . . 4053 1 1317 . 1 1 115 115 TYR CD1 C 13 132.07 . . . . . . . . . . . 4053 1 1318 . 1 1 115 115 TYR CD2 C 13 132.07 . . . . . . . . . . . 4053 1 1319 . 1 1 115 115 TYR CE1 C 13 115.77 . . . . . . . . . . . 4053 1 1320 . 1 1 115 115 TYR CE2 C 13 115.77 . . . . . . . . . . . 4053 1 1321 . 1 1 115 115 TYR CZ C 13 155.27 . . . . . . . . . . . 4053 1 1322 . 1 1 115 115 TYR N N 15 131.71 . . . . . . . . . . . 4053 1 1323 . 1 1 116 116 LYS HA H 1 4.01 . . . . . . . . . . . 4053 1 1324 . 1 1 116 116 LYS HB2 H 1 1.76 . . . . . . . . . . . 4053 1 1325 . 1 1 116 116 LYS HB3 H 1 1.76 . . . . . . . . . . . 4053 1 1326 . 1 1 116 116 LYS HG2 H 1 1.33 . . . . . . . . . . . 4053 1 1327 . 1 1 116 116 LYS HG3 H 1 1.51 . . . . . . . . . . . 4053 1 1328 . 1 1 116 116 LYS HD2 H 1 1.70 . . . . . . . . . . . 4053 1 1329 . 1 1 116 116 LYS HD3 H 1 1.70 . . . . . . . . . . . 4053 1 1330 . 1 1 116 116 LYS HE2 H 1 3.02 . . . . . . . . . . . 4053 1 1331 . 1 1 116 116 LYS HE3 H 1 3.02 . . . . . . . . . . . 4053 1 1332 . 1 1 116 116 LYS H H 1 8.65 . . . . . . . . . . . 4053 1 1333 . 1 1 116 116 LYS CA C 13 54.47 . . . . . . . . . . . 4053 1 1334 . 1 1 116 116 LYS CB C 13 30.27 . . . . . . . . . . . 4053 1 1335 . 1 1 116 116 LYS N N 15 126.71 . . . . . . . . . . . 4053 1 1336 . 1 1 117 117 PRO HA H 1 4.66 . . . . . . . . . . . 4053 1 1337 . 1 1 117 117 PRO HB2 H 1 2.16 . . . . . . . . . . . 4053 1 1338 . 1 1 117 117 PRO HB3 H 1 2.40 . . . . . . . . . . . 4053 1 1339 . 1 1 117 117 PRO HG2 H 1 2.01 . . . . . . . . . . . 4053 1 1340 . 1 1 117 117 PRO HG3 H 1 2.01 . . . . . . . . . . . 4053 1 1341 . 1 1 117 117 PRO HD2 H 1 3.51 . . . . . . . . . . . 4053 1 1342 . 1 1 117 117 PRO HD3 H 1 3.56 . . . . . . . . . . . 4053 1 1343 . 1 1 117 117 PRO C C 13 173.87 . . . . . . . . . . . 4053 1 1344 . 1 1 117 117 PRO CA C 13 62.47 . . . . . . . . . . . 4053 1 1345 . 1 1 117 117 PRO CD C 13 58.57 . . . . . . . . . . . 4053 1 1346 . 1 1 118 118 ASN HA H 1 5.32 . . . . . . . . . . . 4053 1 1347 . 1 1 118 118 ASN HB2 H 1 3.12 . . . . . . . . . . . 4053 1 1348 . 1 1 118 118 ASN HB3 H 1 3.28 . . . . . . . . . . . 4053 1 1349 . 1 1 118 118 ASN H H 1 8.62 . . . . . . . . . . . 4053 1 1350 . 1 1 118 118 ASN HD21 H 1 7.48 . . . . . . . . . . . 4053 1 1351 . 1 1 118 118 ASN HD22 H 1 8.14 . . . . . . . . . . . 4053 1 1352 . 1 1 118 118 ASN C C 13 172.97 . . . . . . . . . . . 4053 1 1353 . 1 1 118 118 ASN CA C 13 49.87 . . . . . . . . . . . 4053 1 1354 . 1 1 118 118 ASN CB C 13 34.87 . . . . . . . . . . . 4053 1 1355 . 1 1 118 118 ASN N N 15 130.01 . . . . . . . . . . . 4053 1 1356 . 1 1 118 118 ASN ND2 N 15 108.91 . . . . . . . . . . . 4053 1 1357 . 1 1 119 119 ASN HA H 1 5.04 . . . . . . . . . . . 4053 1 1358 . 1 1 119 119 ASN HB2 H 1 2.06 . . . . . . . . . . . 4053 1 1359 . 1 1 119 119 ASN HB3 H 1 3.18 . . . . . . . . . . . 4053 1 1360 . 1 1 119 119 ASN H H 1 8.15 . . . . . . . . . . . 4053 1 1361 . 1 1 119 119 ASN HD21 H 1 7.67 . . . . . . . . . . . 4053 1 1362 . 1 1 119 119 ASN HD22 H 1 6.75 . . . . . . . . . . . 4053 1 1363 . 1 1 119 119 ASN C C 13 175.77 . . . . . . . . . . . 4053 1 1364 . 1 1 119 119 ASN CA C 13 50.67 . . . . . . . . . . . 4053 1 1365 . 1 1 119 119 ASN CB C 13 37.37 . . . . . . . . . . . 4053 1 1366 . 1 1 119 119 ASN N N 15 119.11 . . . . . . . . . . . 4053 1 1367 . 1 1 119 119 ASN ND2 N 15 111.81 . . . . . . . . . . . 4053 1 1368 . 1 1 120 120 THR HA H 1 3.91 . . . . . . . . . . . 4053 1 1369 . 1 1 120 120 THR HB H 1 3.81 . . . . . . . . . . . 4053 1 1370 . 1 1 120 120 THR HG21 H 1 0.77 . . . . . . . . . . . 4053 1 1371 . 1 1 120 120 THR HG22 H 1 0.77 . . . . . . . . . . . 4053 1 1372 . 1 1 120 120 THR HG23 H 1 0.77 . . . . . . . . . . . 4053 1 1373 . 1 1 120 120 THR H H 1 10.54 . . . . . . . . . . . 4053 1 1374 . 1 1 120 120 THR C C 13 174.57 . . . . . . . . . . . 4053 1 1375 . 1 1 120 120 THR CA C 13 67.27 . . . . . . . . . . . 4053 1 1376 . 1 1 120 120 THR CB C 13 65.07 . . . . . . . . . . . 4053 1 1377 . 1 1 120 120 THR CG2 C 13 20.07 . . . . . . . . . . . 4053 1 1378 . 1 1 120 120 THR N N 15 125.21 . . . . . . . . . . . 4053 1 1379 . 1 1 121 121 HIS HA H 1 5.47 . . . . . . . . . . . 4053 1 1380 . 1 1 121 121 HIS HB2 H 1 2.35 . . . . . . . . . . . 4053 1 1381 . 1 1 121 121 HIS HB3 H 1 3.28 . . . . . . . . . . . 4053 1 1382 . 1 1 121 121 HIS HD2 H 1 4.32 . . . . . . . . . . . 4053 1 1383 . 1 1 121 121 HIS HE1 H 1 8.01 . . . . . . . . . . . 4053 1 1384 . 1 1 121 121 HIS H H 1 6.93 . . . . . . . . . . . 4053 1 1385 . 1 1 121 121 HIS C C 13 172.57 . . . . . . . . . . . 4053 1 1386 . 1 1 121 121 HIS CA C 13 51.87 . . . . . . . . . . . 4053 1 1387 . 1 1 121 121 HIS CB C 13 27.17 . . . . . . . . . . . 4053 1 1388 . 1 1 121 121 HIS CG C 13 130.37 . . . . . . . . . . . 4053 1 1389 . 1 1 121 121 HIS CD2 C 13 117.77 . . . . . . . . . . . 4053 1 1390 . 1 1 121 121 HIS CE1 C 13 136.07 . . . . . . . . . . . 4053 1 1391 . 1 1 121 121 HIS N N 15 113.11 . . . . . . . . . . . 4053 1 1392 . 1 1 121 121 HIS ND1 N 15 214.01 . . . . . . . . . . . 4053 1 1393 . 1 1 121 121 HIS NE2 N 15 170.71 . . . . . . . . . . . 4053 1 1394 . 1 1 122 122 GLU HA H 1 3.71 . . . . . . . . . . . 4053 1 1395 . 1 1 122 122 GLU HB2 H 1 2.06 . . . . . . . . . . . 4053 1 1396 . 1 1 122 122 GLU HB3 H 1 2.19 . . . . . . . . . . . 4053 1 1397 . 1 1 122 122 GLU H H 1 7.53 . . . . . . . . . . . 4053 1 1398 . 1 1 122 122 GLU C C 13 175.57 . . . . . . . . . . . 4053 1 1399 . 1 1 122 122 GLU CA C 13 59.67 . . . . . . . . . . . 4053 1 1400 . 1 1 122 122 GLU CB C 13 25.87 . . . . . . . . . . . 4053 1 1401 . 1 1 122 122 GLU N N 15 121.51 . . . . . . . . . . . 4053 1 1402 . 1 1 123 123 GLN HA H 1 4.00 . . . . . . . . . . . 4053 1 1403 . 1 1 123 123 GLN HB2 H 1 2.14 . . . . . . . . . . . 4053 1 1404 . 1 1 123 123 GLN HB3 H 1 2.14 . . . . . . . . . . . 4053 1 1405 . 1 1 123 123 GLN HG2 H 1 2.44 . . . . . . . . . . . 4053 1 1406 . 1 1 123 123 GLN HG3 H 1 2.50 . . . . . . . . . . . 4053 1 1407 . 1 1 123 123 GLN H H 1 8.87 . . . . . . . . . . . 4053 1 1408 . 1 1 123 123 GLN C C 13 176.67 . . . . . . . . . . . 4053 1 1409 . 1 1 123 123 GLN CA C 13 58.17 . . . . . . . . . . . 4053 1 1410 . 1 1 123 123 GLN CB C 13 25.87 . . . . . . . . . . . 4053 1 1411 . 1 1 123 123 GLN N N 15 119.01 . . . . . . . . . . . 4053 1 1412 . 1 1 124 124 LEU HA H 1 4.12 . . . . . . . . . . . 4053 1 1413 . 1 1 124 124 LEU HB2 H 1 1.81 . . . . . . . . . . . 4053 1 1414 . 1 1 124 124 LEU HB3 H 1 1.81 . . . . . . . . . . . 4053 1 1415 . 1 1 124 124 LEU HG H 1 1.51 . . . . . . . . . . . 4053 1 1416 . 1 1 124 124 LEU HD11 H 1 0.75 . . . . . . . . . . . 4053 1 1417 . 1 1 124 124 LEU HD12 H 1 0.75 . . . . . . . . . . . 4053 1 1418 . 1 1 124 124 LEU HD13 H 1 0.75 . . . . . . . . . . . 4053 1 1419 . 1 1 124 124 LEU HD21 H 1 0.87 . . . . . . . . . . . 4053 1 1420 . 1 1 124 124 LEU HD22 H 1 0.87 . . . . . . . . . . . 4053 1 1421 . 1 1 124 124 LEU HD23 H 1 0.87 . . . . . . . . . . . 4053 1 1422 . 1 1 124 124 LEU H H 1 7.79 . . . . . . . . . . . 4053 1 1423 . 1 1 124 124 LEU C C 13 177.37 . . . . . . . . . . . 4053 1 1424 . 1 1 124 124 LEU CA C 13 56.77 . . . . . . . . . . . 4053 1 1425 . 1 1 124 124 LEU CB C 13 40.57 . . . . . . . . . . . 4053 1 1426 . 1 1 124 124 LEU CG C 13 25.57 . . . . . . . . . . . 4053 1 1427 . 1 1 124 124 LEU CD1 C 13 22.47 . . . . . . . . . . . 4053 1 1428 . 1 1 124 124 LEU CD2 C 13 24.17 . . . . . . . . . . . 4053 1 1429 . 1 1 124 124 LEU N N 15 122.61 . . . . . . . . . . . 4053 1 1430 . 1 1 125 125 LEU HA H 1 4.03 . . . . . . . . . . . 4053 1 1431 . 1 1 125 125 LEU HB2 H 1 1.50 . . . . . . . . . . . 4053 1 1432 . 1 1 125 125 LEU HB3 H 1 1.90 . . . . . . . . . . . 4053 1 1433 . 1 1 125 125 LEU HG H 1 1.84 . . . . . . . . . . . 4053 1 1434 . 1 1 125 125 LEU HD11 H 1 0.78 . . . . . . . . . . . 4053 1 1435 . 1 1 125 125 LEU HD12 H 1 0.78 . . . . . . . . . . . 4053 1 1436 . 1 1 125 125 LEU HD13 H 1 0.78 . . . . . . . . . . . 4053 1 1437 . 1 1 125 125 LEU HD21 H 1 0.95 . . . . . . . . . . . 4053 1 1438 . 1 1 125 125 LEU HD22 H 1 0.95 . . . . . . . . . . . 4053 1 1439 . 1 1 125 125 LEU HD23 H 1 0.95 . . . . . . . . . . . 4053 1 1440 . 1 1 125 125 LEU H H 1 7.68 . . . . . . . . . . . 4053 1 1441 . 1 1 125 125 LEU C C 13 177.37 . . . . . . . . . . . 4053 1 1442 . 1 1 125 125 LEU CA C 13 57.07 . . . . . . . . . . . 4053 1 1443 . 1 1 125 125 LEU CB C 13 39.57 . . . . . . . . . . . 4053 1 1444 . 1 1 125 125 LEU CG C 13 27.27 . . . . . . . . . . . 4053 1 1445 . 1 1 125 125 LEU CD1 C 13 22.17 . . . . . . . . . . . 4053 1 1446 . 1 1 125 125 LEU CD2 C 13 25.07 . . . . . . . . . . . 4053 1 1447 . 1 1 125 125 LEU N N 15 120.21 . . . . . . . . . . . 4053 1 1448 . 1 1 126 126 ARG HA H 1 4.00 . . . . . . . . . . . 4053 1 1449 . 1 1 126 126 ARG HB2 H 1 1.83 . . . . . . . . . . . 4053 1 1450 . 1 1 126 126 ARG HB3 H 1 1.98 . . . . . . . . . . . 4053 1 1451 . 1 1 126 126 ARG HG2 H 1 1.74 . . . . . . . . . . . 4053 1 1452 . 1 1 126 126 ARG HG3 H 1 1.74 . . . . . . . . . . . 4053 1 1453 . 1 1 126 126 ARG HD2 H 1 3.10 . . . . . . . . . . . 4053 1 1454 . 1 1 126 126 ARG HD3 H 1 3.23 . . . . . . . . . . . 4053 1 1455 . 1 1 126 126 ARG H H 1 8.90 . . . . . . . . . . . 4053 1 1456 . 1 1 126 126 ARG C C 13 177.97 . . . . . . . . . . . 4053 1 1457 . 1 1 126 126 ARG CA C 13 58.77 . . . . . . . . . . . 4053 1 1458 . 1 1 126 126 ARG CB C 13 30.67 . . . . . . . . . . . 4053 1 1459 . 1 1 126 126 ARG CG C 13 27.67 . . . . . . . . . . . 4053 1 1460 . 1 1 126 126 ARG N N 15 120.31 . . . . . . . . . . . 4053 1 1461 . 1 1 127 127 LYS HA H 1 4.16 . . . . . . . . . . . 4053 1 1462 . 1 1 127 127 LYS HB2 H 1 2.02 . . . . . . . . . . . 4053 1 1463 . 1 1 127 127 LYS HB3 H 1 2.02 . . . . . . . . . . . 4053 1 1464 . 1 1 127 127 LYS HG2 H 1 1.47 . . . . . . . . . . . 4053 1 1465 . 1 1 127 127 LYS HG3 H 1 1.61 . . . . . . . . . . . 4053 1 1466 . 1 1 127 127 LYS HD2 H 1 1.70 . . . . . . . . . . . 4053 1 1467 . 1 1 127 127 LYS HD3 H 1 1.70 . . . . . . . . . . . 4053 1 1468 . 1 1 127 127 LYS HE2 H 1 2.98 . . . . . . . . . . . 4053 1 1469 . 1 1 127 127 LYS HE3 H 1 2.98 . . . . . . . . . . . 4053 1 1470 . 1 1 127 127 LYS H H 1 8.15 . . . . . . . . . . . 4053 1 1471 . 1 1 127 127 LYS C C 13 177.97 . . . . . . . . . . . 4053 1 1472 . 1 1 127 127 LYS CA C 13 58.37 . . . . . . . . . . . 4053 1 1473 . 1 1 127 127 LYS CB C 13 30.27 . . . . . . . . . . . 4053 1 1474 . 1 1 127 127 LYS N N 15 123.51 . . . . . . . . . . . 4053 1 1475 . 1 1 128 128 SER HA H 1 4.33 . . . . . . . . . . . 4053 1 1476 . 1 1 128 128 SER HB2 H 1 3.66 . . . . . . . . . . . 4053 1 1477 . 1 1 128 128 SER HB3 H 1 4.10 . . . . . . . . . . . 4053 1 1478 . 1 1 128 128 SER H H 1 7.75 . . . . . . . . . . . 4053 1 1479 . 1 1 128 128 SER C C 13 173.87 . . . . . . . . . . . 4053 1 1480 . 1 1 128 128 SER CA C 13 61.67 . . . . . . . . . . . 4053 1 1481 . 1 1 128 128 SER CB C 13 60.97 . . . . . . . . . . . 4053 1 1482 . 1 1 128 128 SER N N 15 119.01 . . . . . . . . . . . 4053 1 1483 . 1 1 129 129 GLU HA H 1 3.90 . . . . . . . . . . . 4053 1 1484 . 1 1 129 129 GLU HB2 H 1 2.00 . . . . . . . . . . . 4053 1 1485 . 1 1 129 129 GLU HB3 H 1 2.20 . . . . . . . . . . . 4053 1 1486 . 1 1 129 129 GLU H H 1 8.47 . . . . . . . . . . . 4053 1 1487 . 1 1 129 129 GLU C C 13 175.67 . . . . . . . . . . . 4053 1 1488 . 1 1 129 129 GLU CA C 13 57.77 . . . . . . . . . . . 4053 1 1489 . 1 1 129 129 GLU CB C 13 26.07 . . . . . . . . . . . 4053 1 1490 . 1 1 129 129 GLU N N 15 126.21 . . . . . . . . . . . 4053 1 1491 . 1 1 130 130 ALA HA H 1 3.84 . . . . . . . . . . . 4053 1 1492 . 1 1 130 130 ALA HB1 H 1 1.48 . . . . . . . . . . . 4053 1 1493 . 1 1 130 130 ALA HB2 H 1 1.48 . . . . . . . . . . . 4053 1 1494 . 1 1 130 130 ALA HB3 H 1 1.48 . . . . . . . . . . . 4053 1 1495 . 1 1 130 130 ALA H H 1 7.94 . . . . . . . . . . . 4053 1 1496 . 1 1 130 130 ALA C C 13 179.17 . . . . . . . . . . . 4053 1 1497 . 1 1 130 130 ALA CA C 13 53.37 . . . . . . . . . . . 4053 1 1498 . 1 1 130 130 ALA CB C 13 16.07 . . . . . . . . . . . 4053 1 1499 . 1 1 130 130 ALA N N 15 121.11 . . . . . . . . . . . 4053 1 1500 . 1 1 131 131 GLN HA H 1 4.00 . . . . . . . . . . . 4053 1 1501 . 1 1 131 131 GLN HB2 H 1 1.95 . . . . . . . . . . . 4053 1 1502 . 1 1 131 131 GLN HB3 H 1 2.20 . . . . . . . . . . . 4053 1 1503 . 1 1 131 131 GLN HG2 H 1 2.42 . . . . . . . . . . . 4053 1 1504 . 1 1 131 131 GLN HG3 H 1 2.42 . . . . . . . . . . . 4053 1 1505 . 1 1 131 131 GLN H H 1 7.45 . . . . . . . . . . . 4053 1 1506 . 1 1 131 131 GLN C C 13 175.57 . . . . . . . . . . . 4053 1 1507 . 1 1 131 131 GLN CA C 13 57.07 . . . . . . . . . . . 4053 1 1508 . 1 1 131 131 GLN CB C 13 26.57 . . . . . . . . . . . 4053 1 1509 . 1 1 131 131 GLN N N 15 119.41 . . . . . . . . . . . 4053 1 1510 . 1 1 132 132 ALA HA H 1 3.96 . . . . . . . . . . . 4053 1 1511 . 1 1 132 132 ALA HB1 H 1 1.75 . . . . . . . . . . . 4053 1 1512 . 1 1 132 132 ALA HB2 H 1 1.75 . . . . . . . . . . . 4053 1 1513 . 1 1 132 132 ALA HB3 H 1 1.75 . . . . . . . . . . . 4053 1 1514 . 1 1 132 132 ALA H H 1 7.85 . . . . . . . . . . . 4053 1 1515 . 1 1 132 132 ALA C C 13 177.87 . . . . . . . . . . . 4053 1 1516 . 1 1 132 132 ALA CA C 13 54.07 . . . . . . . . . . . 4053 1 1517 . 1 1 132 132 ALA CB C 13 17.07 . . . . . . . . . . . 4053 1 1518 . 1 1 132 132 ALA N N 15 124.41 . . . . . . . . . . . 4053 1 1519 . 1 1 133 133 LYS HA H 1 3.41 . . . . . . . . . . . 4053 1 1520 . 1 1 133 133 LYS HB2 H 1 0.83 . . . . . . . . . . . 4053 1 1521 . 1 1 133 133 LYS HB3 H 1 1.25 . . . . . . . . . . . 4053 1 1522 . 1 1 133 133 LYS HG2 H 1 0.10 . . . . . . . . . . . 4053 1 1523 . 1 1 133 133 LYS HG3 H 1 0.45 . . . . . . . . . . . 4053 1 1524 . 1 1 133 133 LYS HD2 H 1 0.83 . . . . . . . . . . . 4053 1 1525 . 1 1 133 133 LYS HD3 H 1 0.97 . . . . . . . . . . . 4053 1 1526 . 1 1 133 133 LYS HE2 H 1 2.03 . . . . . . . . . . . 4053 1 1527 . 1 1 133 133 LYS HE3 H 1 2.13 . . . . . . . . . . . 4053 1 1528 . 1 1 133 133 LYS H H 1 8.17 . . . . . . . . . . . 4053 1 1529 . 1 1 133 133 LYS C C 13 178.97 . . . . . . . . . . . 4053 1 1530 . 1 1 133 133 LYS CA C 13 58.07 . . . . . . . . . . . 4053 1 1531 . 1 1 133 133 LYS CB C 13 30.87 . . . . . . . . . . . 4053 1 1532 . 1 1 133 133 LYS CE C 13 39.57 . . . . . . . . . . . 4053 1 1533 . 1 1 133 133 LYS N N 15 118.71 . . . . . . . . . . . 4053 1 1534 . 1 1 134 134 LYS HA H 1 3.97 . . . . . . . . . . . 4053 1 1535 . 1 1 134 134 LYS HB2 H 1 1.95 . . . . . . . . . . . 4053 1 1536 . 1 1 134 134 LYS HB3 H 1 1.95 . . . . . . . . . . . 4053 1 1537 . 1 1 134 134 LYS HG2 H 1 1.47 . . . . . . . . . . . 4053 1 1538 . 1 1 134 134 LYS HG3 H 1 1.51 . . . . . . . . . . . 4053 1 1539 . 1 1 134 134 LYS HD2 H 1 1.68 . . . . . . . . . . . 4053 1 1540 . 1 1 134 134 LYS HD3 H 1 1.68 . . . . . . . . . . . 4053 1 1541 . 1 1 134 134 LYS HE2 H 1 2.98 . . . . . . . . . . . 4053 1 1542 . 1 1 134 134 LYS HE3 H 1 2.98 . . . . . . . . . . . 4053 1 1543 . 1 1 134 134 LYS H H 1 7.77 . . . . . . . . . . . 4053 1 1544 . 1 1 134 134 LYS C C 13 176.87 . . . . . . . . . . . 4053 1 1545 . 1 1 134 134 LYS CA C 13 57.67 . . . . . . . . . . . 4053 1 1546 . 1 1 134 134 LYS CB C 13 30.57 . . . . . . . . . . . 4053 1 1547 . 1 1 134 134 LYS N N 15 123.51 . . . . . . . . . . . 4053 1 1548 . 1 1 135 135 GLU HA H 1 4.06 . . . . . . . . . . . 4053 1 1549 . 1 1 135 135 GLU HB2 H 1 2.03 . . . . . . . . . . . 4053 1 1550 . 1 1 135 135 GLU HB3 H 1 2.14 . . . . . . . . . . . 4053 1 1551 . 1 1 135 135 GLU HG2 H 1 2.27 . . . . . . . . . . . 4053 1 1552 . 1 1 135 135 GLU HG3 H 1 2.51 . . . . . . . . . . . 4053 1 1553 . 1 1 135 135 GLU H H 1 7.59 . . . . . . . . . . . 4053 1 1554 . 1 1 135 135 GLU C C 13 172.87 . . . . . . . . . . . 4053 1 1555 . 1 1 135 135 GLU CA C 13 54.97 . . . . . . . . . . . 4053 1 1556 . 1 1 135 135 GLU CB C 13 28.47 . . . . . . . . . . . 4053 1 1557 . 1 1 135 135 GLU N N 15 117.71 . . . . . . . . . . . 4053 1 1558 . 1 1 136 136 LYS HA H 1 3.54 . . . . . . . . . . . 4053 1 1559 . 1 1 136 136 LYS HB2 H 1 1.82 . . . . . . . . . . . 4053 1 1560 . 1 1 136 136 LYS HB3 H 1 2.06 . . . . . . . . . . . 4053 1 1561 . 1 1 136 136 LYS HG2 H 1 1.40 . . . . . . . . . . . 4053 1 1562 . 1 1 136 136 LYS HG3 H 1 1.40 . . . . . . . . . . . 4053 1 1563 . 1 1 136 136 LYS HD2 H 1 1.76 . . . . . . . . . . . 4053 1 1564 . 1 1 136 136 LYS HD3 H 1 1.76 . . . . . . . . . . . 4053 1 1565 . 1 1 136 136 LYS HE2 H 1 3.08 . . . . . . . . . . . 4053 1 1566 . 1 1 136 136 LYS HE3 H 1 3.08 . . . . . . . . . . . 4053 1 1567 . 1 1 136 136 LYS H H 1 7.81 . . . . . . . . . . . 4053 1 1568 . 1 1 136 136 LYS C C 13 173.37 . . . . . . . . . . . 4053 1 1569 . 1 1 136 136 LYS CA C 13 55.07 . . . . . . . . . . . 4053 1 1570 . 1 1 136 136 LYS CB C 13 31.07 . . . . . . . . . . . 4053 1 1571 . 1 1 136 136 LYS N N 15 118.11 . . . . . . . . . . . 4053 1 1572 . 1 1 137 137 LEU HA H 1 4.19 . . . . . . . . . . . 4053 1 1573 . 1 1 137 137 LEU HB2 H 1 1.39 . . . . . . . . . . . 4053 1 1574 . 1 1 137 137 LEU HB3 H 1 1.52 . . . . . . . . . . . 4053 1 1575 . 1 1 137 137 LEU HG H 1 1.66 . . . . . . . . . . . 4053 1 1576 . 1 1 137 137 LEU HD11 H 1 0.85 . . . . . . . . . . . 4053 1 1577 . 1 1 137 137 LEU HD12 H 1 0.85 . . . . . . . . . . . 4053 1 1578 . 1 1 137 137 LEU HD13 H 1 0.85 . . . . . . . . . . . 4053 1 1579 . 1 1 137 137 LEU HD21 H 1 1.00 . . . . . . . . . . . 4053 1 1580 . 1 1 137 137 LEU HD22 H 1 1.00 . . . . . . . . . . . 4053 1 1581 . 1 1 137 137 LEU HD23 H 1 1.00 . . . . . . . . . . . 4053 1 1582 . 1 1 137 137 LEU H H 1 7.60 . . . . . . . . . . . 4053 1 1583 . 1 1 137 137 LEU C C 13 176.77 . . . . . . . . . . . 4053 1 1584 . 1 1 137 137 LEU CA C 13 53.37 . . . . . . . . . . . 4053 1 1585 . 1 1 137 137 LEU CB C 13 42.57 . . . . . . . . . . . 4053 1 1586 . 1 1 137 137 LEU CD1 C 13 21.47 . . . . . . . . . . . 4053 1 1587 . 1 1 137 137 LEU CD2 C 13 23.87 . . . . . . . . . . . 4053 1 1588 . 1 1 137 137 LEU N N 15 118.61 . . . . . . . . . . . 4053 1 1589 . 1 1 138 138 ASN HA H 1 3.86 . . . . . . . . . . . 4053 1 1590 . 1 1 138 138 ASN HB2 H 1 1.53 . . . . . . . . . . . 4053 1 1591 . 1 1 138 138 ASN HB3 H 1 2.77 . . . . . . . . . . . 4053 1 1592 . 1 1 138 138 ASN H H 1 9.00 . . . . . . . . . . . 4053 1 1593 . 1 1 138 138 ASN HD21 H 1 8.13 . . . . . . . . . . . 4053 1 1594 . 1 1 138 138 ASN HD22 H 1 7.09 . . . . . . . . . . . 4053 1 1595 . 1 1 138 138 ASN C C 13 174.57 . . . . . . . . . . . 4053 1 1596 . 1 1 138 138 ASN CA C 13 54.77 . . . . . . . . . . . 4053 1 1597 . 1 1 138 138 ASN CB C 13 37.27 . . . . . . . . . . . 4053 1 1598 . 1 1 138 138 ASN N N 15 120.21 . . . . . . . . . . . 4053 1 1599 . 1 1 138 138 ASN ND2 N 15 116.01 . . . . . . . . . . . 4053 1 1600 . 1 1 139 139 ILE HA H 1 3.32 . . . . . . . . . . . 4053 1 1601 . 1 1 139 139 ILE HB H 1 1.05 . . . . . . . . . . . 4053 1 1602 . 1 1 139 139 ILE HG12 H 1 0.50 . . . . . . . . . . . 4053 1 1603 . 1 1 139 139 ILE HG13 H 1 0.50 . . . . . . . . . . . 4053 1 1604 . 1 1 139 139 ILE HG21 H 1 0.12 . . . . . . . . . . . 4053 1 1605 . 1 1 139 139 ILE HG22 H 1 0.12 . . . . . . . . . . . 4053 1 1606 . 1 1 139 139 ILE HG23 H 1 0.12 . . . . . . . . . . . 4053 1 1607 . 1 1 139 139 ILE HD11 H 1 0.06 . . . . . . . . . . . 4053 1 1608 . 1 1 139 139 ILE HD12 H 1 0.06 . . . . . . . . . . . 4053 1 1609 . 1 1 139 139 ILE HD13 H 1 0.06 . . . . . . . . . . . 4053 1 1610 . 1 1 139 139 ILE H H 1 8.34 . . . . . . . . . . . 4053 1 1611 . 1 1 139 139 ILE C C 13 174.87 . . . . . . . . . . . 4053 1 1612 . 1 1 139 139 ILE CA C 13 64.07 . . . . . . . . . . . 4053 1 1613 . 1 1 139 139 ILE CB C 13 35.67 . . . . . . . . . . . 4053 1 1614 . 1 1 139 139 ILE CG2 C 13 13.57 . . . . . . . . . . . 4053 1 1615 . 1 1 139 139 ILE CD1 C 13 11.77 . . . . . . . . . . . 4053 1 1616 . 1 1 139 139 ILE N N 15 126.01 . . . . . . . . . . . 4053 1 1617 . 1 1 140 140 TRP HA H 1 4.91 . . . . . . . . . . . 4053 1 1618 . 1 1 140 140 TRP HB2 H 1 2.83 . . . . . . . . . . . 4053 1 1619 . 1 1 140 140 TRP HB3 H 1 3.71 . . . . . . . . . . . 4053 1 1620 . 1 1 140 140 TRP HD1 H 1 7.00 . . . . . . . . . . . 4053 1 1621 . 1 1 140 140 TRP HE3 H 1 7.66 . . . . . . . . . . . 4053 1 1622 . 1 1 140 140 TRP HZ2 H 1 7.54 . . . . . . . . . . . 4053 1 1623 . 1 1 140 140 TRP HZ3 H 1 7.06 . . . . . . . . . . . 4053 1 1624 . 1 1 140 140 TRP HH2 H 1 7.12 . . . . . . . . . . . 4053 1 1625 . 1 1 140 140 TRP H H 1 7.77 . . . . . . . . . . . 4053 1 1626 . 1 1 140 140 TRP C C 13 174.47 . . . . . . . . . . . 4053 1 1627 . 1 1 140 140 TRP CA C 13 53.47 . . . . . . . . . . . 4053 1 1628 . 1 1 140 140 TRP CB C 13 28.47 . . . . . . . . . . . 4053 1 1629 . 1 1 140 140 TRP CG C 13 109.67 . . . . . . . . . . . 4053 1 1630 . 1 1 140 140 TRP CD1 C 13 126.37 . . . . . . . . . . . 4053 1 1631 . 1 1 140 140 TRP CD2 C 13 127.17 . . . . . . . . . . . 4053 1 1632 . 1 1 140 140 TRP CE2 C 13 138.37 . . . . . . . . . . . 4053 1 1633 . 1 1 140 140 TRP CE3 C 13 119.57 . . . . . . . . . . . 4053 1 1634 . 1 1 140 140 TRP CZ2 C 13 113.17 . . . . . . . . . . . 4053 1 1635 . 1 1 140 140 TRP CZ3 C 13 119.57 . . . . . . . . . . . 4053 1 1636 . 1 1 140 140 TRP CH2 C 13 122.37 . . . . . . . . . . . 4053 1 1637 . 1 1 140 140 TRP N N 15 121.01 . . . . . . . . . . . 4053 1 1638 . 1 1 141 141 SER HA H 1 4.19 . . . . . . . . . . . 4053 1 1639 . 1 1 141 141 SER HB2 H 1 3.81 . . . . . . . . . . . 4053 1 1640 . 1 1 141 141 SER HB3 H 1 4.13 . . . . . . . . . . . 4053 1 1641 . 1 1 141 141 SER H H 1 8.04 . . . . . . . . . . . 4053 1 1642 . 1 1 141 141 SER C C 13 173.47 . . . . . . . . . . . 4053 1 1643 . 1 1 141 141 SER CA C 13 58.27 . . . . . . . . . . . 4053 1 1644 . 1 1 141 141 SER CB C 13 62.57 . . . . . . . . . . . 4053 1 1645 . 1 1 141 141 SER N N 15 117.31 . . . . . . . . . . . 4053 1 1646 . 1 1 142 142 GLU HA H 1 4.43 . . . . . . . . . . . 4053 1 1647 . 1 1 142 142 GLU HB2 H 1 1.97 . . . . . . . . . . . 4053 1 1648 . 1 1 142 142 GLU HB3 H 1 2.19 . . . . . . . . . . . 4053 1 1649 . 1 1 142 142 GLU HG2 H 1 2.38 . . . . . . . . . . . 4053 1 1650 . 1 1 142 142 GLU HG3 H 1 2.38 . . . . . . . . . . . 4053 1 1651 . 1 1 142 142 GLU H H 1 7.89 . . . . . . . . . . . 4053 1 1652 . 1 1 142 142 GLU C C 13 174.47 . . . . . . . . . . . 4053 1 1653 . 1 1 142 142 GLU CA C 13 54.57 . . . . . . . . . . . 4053 1 1654 . 1 1 142 142 GLU CB C 13 28.67 . . . . . . . . . . . 4053 1 1655 . 1 1 142 142 GLU N N 15 122.61 . . . . . . . . . . . 4053 1 1656 . 1 1 143 143 ASP HA H 1 4.64 . . . . . . . . . . . 4053 1 1657 . 1 1 143 143 ASP HB2 H 1 2.68 . . . . . . . . . . . 4053 1 1658 . 1 1 143 143 ASP HB3 H 1 2.78 . . . . . . . . . . . 4053 1 1659 . 1 1 143 143 ASP H H 1 8.30 . . . . . . . . . . . 4053 1 1660 . 1 1 143 143 ASP C C 13 174.27 . . . . . . . . . . . 4053 1 1661 . 1 1 143 143 ASP CA C 13 53.07 . . . . . . . . . . . 4053 1 1662 . 1 1 143 143 ASP CB C 13 39.57 . . . . . . . . . . . 4053 1 1663 . 1 1 143 143 ASP N N 15 122.51 . . . . . . . . . . . 4053 1 1664 . 1 1 144 144 ASN C C 13 173.47 . . . . . . . . . . . 4053 1 1665 . 1 1 145 145 ALA C C 13 175.87 . . . . . . . . . . . 4053 1 1666 . 1 1 146 146 ASP C C 13 174.57 . . . . . . . . . . . 4053 1 1667 . 1 1 147 147 SER C C 13 173.47 . . . . . . . . . . . 4053 1 1668 . 1 1 148 148 GLY C C 13 171.67 . . . . . . . . . . . 4053 1 stop_ save_