data_27612 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27612 _Entry.Title ; NMR study of non-structural proteins - 1H, 13C, 15N resonance assignment of macro domain from Mayaro virus (MAYV) in complex with ADP-ribose ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-09-14 _Entry.Accession_date 2018-09-14 _Entry.Last_release_date 2018-09-14 _Entry.Original_release_date 2018-09-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Aikaterini Tsika . C. . . 27612 2 Efstathios Melekis . . . . 27612 3 Bruno Coutard . . . . 27612 4 Detlef Bentrop . . . . 27612 5 Georgios Spyroulias . A. . . 27612 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Patras' . 27612 2 . 'University of Patras' . 27612 3 . 'AFMB, UMR7257 CNRS/Aix Marseille Universit' . 27612 4 . 'nstitute of Physiology II, Faculty of Medicine, University of Freiburg' . 27612 5 . 'University of Patras' . 27612 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27612 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 456 27612 '15N chemical shifts' 140 27612 '1H chemical shifts' 942 27612 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 2 . . 2019-06-07 2018-09-14 update BMRB 'update entry citation' 27612 1 . . 2019-05-24 2018-09-14 original author 'original release' 27612 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 30043 'Mayaro virus macro domain' 27612 PDB 5IQ5 . 27612 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 27612 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.jmb.2019.04.013 _Citation.PubMed_ID 30998933 _Citation.Full_citation . _Citation.Title ; Deciphering the Nucleotide and RNA Binding Selectivity of the Mayaro Virus Macro Domain. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 431 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _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 2283 _Citation.Page_last 2297 _Citation.Year 2019 _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 Aikaterini Tsika . C. . . 27612 1 2 Efstathios Melekis . . . . 27612 1 3 Sofia-Antigoni Tsatsouli . . . . 27612 1 4 Nicolas Papageorgiou . . . . 27612 1 5 Maria Mate . J. . . 27612 1 6 Bruno Canard . . . . 27612 1 7 Bruno Coutard . . . . 27612 1 8 Detlef Bentrop . . . . 27612 1 9 Georgios Spyroulias . A. . . 27612 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ADP-ribose 27612 1 'Mayaro virus' 27612 1 NMR 27612 1 RNA 27612 1 'macro domain' 27612 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27612 _Assembly.ID 1 _Assembly.Name 'MAYV macro domain in complex with ADP-ribose' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 18676.77 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 1 1 $MAYV_macro_domain A . yes native no no . . . 27612 1 2 2 2 $entity_APR B . no native no no . . . 27612 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes BMRB 30043 . . 'solution NMR' . 'BMRB id for the MAYV macro domain' . 27612 1 yes PDB 5IQ5 . . 'solution NMR' . 'Structure for the MAYV macro domain' . 27612 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MAYV_macro_domain _Entity.Sf_category entity _Entity.Sf_framecode MAYV_macro_domain _Entity.Entry_ID 27612 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MAYV_macro_domain _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 ; MAPAYTVKRADIATAIEDAV VNAANHRGQVGDGVCRAVAR KWPQAFRNAATPVGTAKTVK CDETYIIHAVGPNFNNTSEA EGDRDLAAAYRAVAAEINRL SISSVAIPLLSTGIFSAGKD RVHQSLSHLLAAMDTTEARV TIYCRDKTWEQKIKTVLQNR HHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residue 1 represents a methionine derived from the start codon in the DNA sequence. Residues 161-166 represent a non-native affinity tag. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 166 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18117.46 _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 'Part of the nsP3, part of the viral replication machinery, ADP-r binding protein, RNA binding protein' 27612 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 0 MET . 27612 1 2 1 ALA . 27612 1 3 2 PRO . 27612 1 4 3 ALA . 27612 1 5 4 TYR . 27612 1 6 5 THR . 27612 1 7 6 VAL . 27612 1 8 7 LYS . 27612 1 9 8 ARG . 27612 1 10 9 ALA . 27612 1 11 10 ASP . 27612 1 12 11 ILE . 27612 1 13 12 ALA . 27612 1 14 13 THR . 27612 1 15 14 ALA . 27612 1 16 15 ILE . 27612 1 17 16 GLU . 27612 1 18 17 ASP . 27612 1 19 18 ALA . 27612 1 20 19 VAL . 27612 1 21 20 VAL . 27612 1 22 21 ASN . 27612 1 23 22 ALA . 27612 1 24 23 ALA . 27612 1 25 24 ASN . 27612 1 26 25 HIS . 27612 1 27 26 ARG . 27612 1 28 27 GLY . 27612 1 29 28 GLN . 27612 1 30 29 VAL . 27612 1 31 30 GLY . 27612 1 32 31 ASP . 27612 1 33 32 GLY . 27612 1 34 33 VAL . 27612 1 35 34 CYS . 27612 1 36 35 ARG . 27612 1 37 36 ALA . 27612 1 38 37 VAL . 27612 1 39 38 ALA . 27612 1 40 39 ARG . 27612 1 41 40 LYS . 27612 1 42 41 TRP . 27612 1 43 42 PRO . 27612 1 44 43 GLN . 27612 1 45 44 ALA . 27612 1 46 45 PHE . 27612 1 47 46 ARG . 27612 1 48 47 ASN . 27612 1 49 48 ALA . 27612 1 50 49 ALA . 27612 1 51 50 THR . 27612 1 52 51 PRO . 27612 1 53 52 VAL . 27612 1 54 53 GLY . 27612 1 55 54 THR . 27612 1 56 55 ALA . 27612 1 57 56 LYS . 27612 1 58 57 THR . 27612 1 59 58 VAL . 27612 1 60 59 LYS . 27612 1 61 60 CYS . 27612 1 62 61 ASP . 27612 1 63 62 GLU . 27612 1 64 63 THR . 27612 1 65 64 TYR . 27612 1 66 65 ILE . 27612 1 67 66 ILE . 27612 1 68 67 HIS . 27612 1 69 68 ALA . 27612 1 70 69 VAL . 27612 1 71 70 GLY . 27612 1 72 71 PRO . 27612 1 73 72 ASN . 27612 1 74 73 PHE . 27612 1 75 74 ASN . 27612 1 76 75 ASN . 27612 1 77 76 THR . 27612 1 78 77 SER . 27612 1 79 78 GLU . 27612 1 80 79 ALA . 27612 1 81 80 GLU . 27612 1 82 81 GLY . 27612 1 83 82 ASP . 27612 1 84 83 ARG . 27612 1 85 84 ASP . 27612 1 86 85 LEU . 27612 1 87 86 ALA . 27612 1 88 87 ALA . 27612 1 89 88 ALA . 27612 1 90 89 TYR . 27612 1 91 90 ARG . 27612 1 92 91 ALA . 27612 1 93 92 VAL . 27612 1 94 93 ALA . 27612 1 95 94 ALA . 27612 1 96 95 GLU . 27612 1 97 96 ILE . 27612 1 98 97 ASN . 27612 1 99 98 ARG . 27612 1 100 99 LEU . 27612 1 101 100 SER . 27612 1 102 101 ILE . 27612 1 103 102 SER . 27612 1 104 103 SER . 27612 1 105 104 VAL . 27612 1 106 105 ALA . 27612 1 107 106 ILE . 27612 1 108 107 PRO . 27612 1 109 108 LEU . 27612 1 110 109 LEU . 27612 1 111 110 SER . 27612 1 112 111 THR . 27612 1 113 112 GLY . 27612 1 114 113 ILE . 27612 1 115 114 PHE . 27612 1 116 115 SER . 27612 1 117 116 ALA . 27612 1 118 117 GLY . 27612 1 119 118 LYS . 27612 1 120 119 ASP . 27612 1 121 120 ARG . 27612 1 122 121 VAL . 27612 1 123 122 HIS . 27612 1 124 123 GLN . 27612 1 125 124 SER . 27612 1 126 125 LEU . 27612 1 127 126 SER . 27612 1 128 127 HIS . 27612 1 129 128 LEU . 27612 1 130 129 LEU . 27612 1 131 130 ALA . 27612 1 132 131 ALA . 27612 1 133 132 MET . 27612 1 134 133 ASP . 27612 1 135 134 THR . 27612 1 136 135 THR . 27612 1 137 136 GLU . 27612 1 138 137 ALA . 27612 1 139 138 ARG . 27612 1 140 139 VAL . 27612 1 141 140 THR . 27612 1 142 141 ILE . 27612 1 143 142 TYR . 27612 1 144 143 CYS . 27612 1 145 144 ARG . 27612 1 146 145 ASP . 27612 1 147 146 LYS . 27612 1 148 147 THR . 27612 1 149 148 TRP . 27612 1 150 149 GLU . 27612 1 151 150 GLN . 27612 1 152 151 LYS . 27612 1 153 152 ILE . 27612 1 154 153 LYS . 27612 1 155 154 THR . 27612 1 156 155 VAL . 27612 1 157 156 LEU . 27612 1 158 157 GLN . 27612 1 159 158 ASN . 27612 1 160 159 ARG . 27612 1 161 160 HIS . 27612 1 162 161 HIS . 27612 1 163 162 HIS . 27612 1 164 163 HIS . 27612 1 165 164 HIS . 27612 1 166 165 HIS . 27612 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27612 1 . ALA 2 2 27612 1 . PRO 3 3 27612 1 . ALA 4 4 27612 1 . TYR 5 5 27612 1 . THR 6 6 27612 1 . VAL 7 7 27612 1 . LYS 8 8 27612 1 . ARG 9 9 27612 1 . ALA 10 10 27612 1 . ASP 11 11 27612 1 . ILE 12 12 27612 1 . ALA 13 13 27612 1 . THR 14 14 27612 1 . ALA 15 15 27612 1 . ILE 16 16 27612 1 . GLU 17 17 27612 1 . ASP 18 18 27612 1 . ALA 19 19 27612 1 . VAL 20 20 27612 1 . VAL 21 21 27612 1 . ASN 22 22 27612 1 . ALA 23 23 27612 1 . ALA 24 24 27612 1 . ASN 25 25 27612 1 . HIS 26 26 27612 1 . ARG 27 27 27612 1 . GLY 28 28 27612 1 . GLN 29 29 27612 1 . VAL 30 30 27612 1 . GLY 31 31 27612 1 . ASP 32 32 27612 1 . GLY 33 33 27612 1 . VAL 34 34 27612 1 . CYS 35 35 27612 1 . ARG 36 36 27612 1 . ALA 37 37 27612 1 . VAL 38 38 27612 1 . ALA 39 39 27612 1 . ARG 40 40 27612 1 . LYS 41 41 27612 1 . TRP 42 42 27612 1 . PRO 43 43 27612 1 . GLN 44 44 27612 1 . ALA 45 45 27612 1 . PHE 46 46 27612 1 . ARG 47 47 27612 1 . ASN 48 48 27612 1 . ALA 49 49 27612 1 . ALA 50 50 27612 1 . THR 51 51 27612 1 . PRO 52 52 27612 1 . VAL 53 53 27612 1 . GLY 54 54 27612 1 . THR 55 55 27612 1 . ALA 56 56 27612 1 . LYS 57 57 27612 1 . THR 58 58 27612 1 . VAL 59 59 27612 1 . LYS 60 60 27612 1 . CYS 61 61 27612 1 . ASP 62 62 27612 1 . GLU 63 63 27612 1 . THR 64 64 27612 1 . TYR 65 65 27612 1 . ILE 66 66 27612 1 . ILE 67 67 27612 1 . HIS 68 68 27612 1 . ALA 69 69 27612 1 . VAL 70 70 27612 1 . GLY 71 71 27612 1 . PRO 72 72 27612 1 . ASN 73 73 27612 1 . PHE 74 74 27612 1 . ASN 75 75 27612 1 . ASN 76 76 27612 1 . THR 77 77 27612 1 . SER 78 78 27612 1 . GLU 79 79 27612 1 . ALA 80 80 27612 1 . GLU 81 81 27612 1 . GLY 82 82 27612 1 . ASP 83 83 27612 1 . ARG 84 84 27612 1 . ASP 85 85 27612 1 . LEU 86 86 27612 1 . ALA 87 87 27612 1 . ALA 88 88 27612 1 . ALA 89 89 27612 1 . TYR 90 90 27612 1 . ARG 91 91 27612 1 . ALA 92 92 27612 1 . VAL 93 93 27612 1 . ALA 94 94 27612 1 . ALA 95 95 27612 1 . GLU 96 96 27612 1 . ILE 97 97 27612 1 . ASN 98 98 27612 1 . ARG 99 99 27612 1 . LEU 100 100 27612 1 . SER 101 101 27612 1 . ILE 102 102 27612 1 . SER 103 103 27612 1 . SER 104 104 27612 1 . VAL 105 105 27612 1 . ALA 106 106 27612 1 . ILE 107 107 27612 1 . PRO 108 108 27612 1 . LEU 109 109 27612 1 . LEU 110 110 27612 1 . SER 111 111 27612 1 . THR 112 112 27612 1 . GLY 113 113 27612 1 . ILE 114 114 27612 1 . PHE 115 115 27612 1 . SER 116 116 27612 1 . ALA 117 117 27612 1 . GLY 118 118 27612 1 . LYS 119 119 27612 1 . ASP 120 120 27612 1 . ARG 121 121 27612 1 . VAL 122 122 27612 1 . HIS 123 123 27612 1 . GLN 124 124 27612 1 . SER 125 125 27612 1 . LEU 126 126 27612 1 . SER 127 127 27612 1 . HIS 128 128 27612 1 . LEU 129 129 27612 1 . LEU 130 130 27612 1 . ALA 131 131 27612 1 . ALA 132 132 27612 1 . MET 133 133 27612 1 . ASP 134 134 27612 1 . THR 135 135 27612 1 . THR 136 136 27612 1 . GLU 137 137 27612 1 . ALA 138 138 27612 1 . ARG 139 139 27612 1 . VAL 140 140 27612 1 . THR 141 141 27612 1 . ILE 142 142 27612 1 . TYR 143 143 27612 1 . CYS 144 144 27612 1 . ARG 145 145 27612 1 . ASP 146 146 27612 1 . LYS 147 147 27612 1 . THR 148 148 27612 1 . TRP 149 149 27612 1 . GLU 150 150 27612 1 . GLN 151 151 27612 1 . LYS 152 152 27612 1 . ILE 153 153 27612 1 . LYS 154 154 27612 1 . THR 155 155 27612 1 . VAL 156 156 27612 1 . LEU 157 157 27612 1 . GLN 158 158 27612 1 . ASN 159 159 27612 1 . ARG 160 160 27612 1 . HIS 161 161 27612 1 . HIS 162 162 27612 1 . HIS 163 163 27612 1 . HIS 164 164 27612 1 . HIS 165 165 27612 1 . HIS 166 166 27612 1 stop_ save_ save_entity_APR _Entity.Sf_category entity _Entity.Sf_framecode entity_APR _Entity.Entry_ID 27612 _Entity.ID 2 _Entity.BMRB_code APR _Entity.Name entity_APR _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 APR _Entity.Nonpolymer_comp_label $chem_comp_APR _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _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 559.316 _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 ADENOSINE-5-DIPHOSPHORIBOSE BMRB 27612 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID ADENOSINE-5-DIPHOSPHORIBOSE BMRB 27612 2 APR 'Three letter code' 27612 2 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 APR $chem_comp_APR 27612 2 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 27612 _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 $MAYV_macro_domain . 59301 virus . 'Mayaro Virus' 'Mayaro Virus' . . Viruses . Mayaro Virus TRVL4675 . . . . . . . . . . . . 27612 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 27612 _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 $MAYV_macro_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta 2' 'pLysS DE3' . . . . pDest14 . . . 27612 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_APR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_APR _Chem_comp.Entry_ID 27612 _Chem_comp.ID APR _Chem_comp.Provenance PDB _Chem_comp.Name ADENOSINE-5-DIPHOSPHORIBOSE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code APR _Chem_comp.PDB_code APR _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 . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code APR _Chem_comp.Number_atoms_all 59 _Chem_comp.Number_atoms_nh 36 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/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 yes _Chem_comp.Formula 'C15 H23 N5 O14 P2' _Chem_comp.Formula_weight 559.316 _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 1G9Q _Chem_comp.Processing_site RCSB _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 ; InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 ; InChI InChI 1.03 27612 APR Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 27612 APR Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O SMILES CACTVS 3.341 27612 APR O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC4OC(O)C(O)C4O SMILES ACDLabs 10.04 27612 APR SRNWOUGRCWSEMX-KEOHHSTQSA-N InChIKey InChI 1.03 27612 APR c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 27612 APR c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 27612 APR 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,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) ; 'SYSTEMATIC NAME' ACDLabs 10.04 27612 APR ; [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[[(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate ; 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 27612 APR 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 N1 N1 N1 N1 . N . . N 0 . . . 1 yes no . . . . 57.304 . 21.677 . 3.126 . 2.348 -0.932 9.041 1 . 27612 APR C2 C2 C2 C2 . C . . N 0 . . . 1 yes no . . . . 58.333 . 20.780 . 2.780 . 1.265 -1.622 8.731 2 . 27612 APR N3 N3 N3 N3 . N . . N 0 . . . 1 yes no . . . . 58.815 . 19.783 . 3.523 . 0.592 -1.418 7.618 3 . 27612 APR C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 58.161 . 19.655 . 4.774 . 0.984 -0.493 6.749 4 . 27612 APR C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . 57.100 . 20.441 . 5.267 . 2.128 0.271 7.035 5 . 27612 APR C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . 56.684 . 21.562 . 4.396 . 2.816 0.012 8.233 6 . 27612 APR N6 N6 N6 N6 . N . . N 0 . . . 1 no no . . . . 55.837 . 22.531 . 4.767 . 3.952 0.730 8.566 7 . 27612 APR N7 N7 N7 N7 . N . . N 0 . . . 1 yes no . . . . 56.714 . 19.987 . 6.521 . 2.307 1.124 5.999 8 . 27612 APR C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 57.592 . 19.016 . 6.814 . 1.365 0.943 5.120 9 . 27612 APR N9 N9 N9 N9 . N . . N 0 . . . 1 yes no . . . . 58.523 . 18.831 . 5.825 . 0.523 -0.044 5.537 10 . 27612 APR C1' C1' C1' C1* . C . . R 0 . . . 1 no no . . . . 59.925 . 18.013 . 5.799 . -0.656 -0.537 4.822 11 . 27612 APR C2' C2' C2' C2* . C . . R 0 . . . 1 no no . . . . 60.873 . 18.577 . 6.883 . -1.902 0.290 5.207 12 . 27612 APR O2' O2' O2' O2* . O . . N 0 . . . 1 no no . . . . 62.159 . 18.740 . 6.323 . -2.672 -0.385 6.202 13 . 27612 APR C3' C3' C3' C3* . C . . S 0 . . . 1 no no . . . . 60.931 . 17.488 . 8.019 . -2.700 0.400 3.886 14 . 27612 APR O3' O3' O3' O3* . O . . N 0 . . . 1 no no . . . . 62.274 . 17.237 . 8.416 . -3.986 -0.206 4.025 15 . 27612 APR O4' O4' O4' O4* . O . . N 0 . . . 1 no no . . . . 59.714 . 16.695 . 6.161 . -0.502 -0.338 3.400 16 . 27612 APR C4' C4' C4' C4* . C . . R 0 . . . 1 no no . . . . 60.320 . 16.270 . 7.470 . -1.842 -0.377 2.863 17 . 27612 APR C5' C5' C5' C5* . C . . N 0 . . . 1 no no . . . . 59.249 . 15.847 . 8.393 . -1.888 0.307 1.496 18 . 27612 APR O5' O5' O5' O5* . O . . N 0 . . . 1 no no . . . . 58.071 . 15.548 . 7.636 . -1.032 -0.386 0.586 19 . 27612 APR PA PA PA PA . P . . S 0 . . . 1 no no . . . . 56.778 . 15.038 . 8.330 . -1.129 0.384 -0.823 20 . 27612 APR O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 56.709 . 13.669 . 8.178 . -0.686 1.786 -0.651 21 . 27612 APR O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 55.711 . 15.657 . 7.705 . -2.652 0.362 -1.343 22 . 27612 APR O3A O3A O3A O3A . O . . N 0 . . . 1 no no . . . . 56.727 . 15.443 . 9.983 . -0.183 -0.348 -1.901 23 . 27612 APR PB PB PB PB . P . . R 0 . . . 1 no no . . . . 56.585 . 16.854 . 10.752 . -0.328 0.470 -3.280 24 . 27612 APR O1B O1B O1B O1B . O . . N 0 . . . 1 no no . . . . 57.185 . 17.940 . 9.929 . 0.101 1.871 -3.069 25 . 27612 APR O2B O2B O2B O2B . O . . N 0 . . . 1 no no . . . . 57.257 . 16.795 . 12.071 . -1.865 0.447 -3.758 26 . 27612 APR O5D O5D O5D RO5* . O . . N 0 . . . 1 no no . . . . 54.938 . 17.195 . 10.904 . 0.595 -0.210 -4.408 27 . 27612 APR C5D C5D C5D RC5* . C . . N 0 . . . 1 no no . . . . 54.343 . 16.628 . 12.167 . 0.423 0.556 -5.601 28 . 27612 APR O4D O4D O4D RO4* . O . . N 0 . . . 1 no no . . . . 54.107 . 19.129 . 12.819 . 0.853 -1.385 -6.996 29 . 27612 APR O1D O1D O1D RO1* . O . . N 0 . . . 1 no no . . . . 52.862 . 20.438 . 11.386 . 0.208 -2.680 -8.863 30 . 27612 APR C1D C1D C1D RC1* . C . . R 0 . . . 1 no no . . . . 52.834 . 19.759 . 12.610 . 1.030 -1.602 -8.412 31 . 27612 APR O2D O2D O2D RO2* . O . . N 0 . . . 1 no no . . . . 50.542 . 19.075 . 13.137 . 1.185 -0.064 -10.319 32 . 27612 APR C2D C2D C2D RC2* . C . . R 0 . . . 1 no no . . . . 51.779 . 18.629 . 12.553 . 0.574 -0.261 -9.042 33 . 27612 APR O3D O3D O3D RO3* . O . . N 0 . . . 1 no no . . . . 51.951 . 17.595 . 14.816 . 2.341 1.326 -8.446 34 . 27612 APR C3D C3D C3D RC3* . C . . S 0 . . . 1 no no . . . . 52.364 . 17.465 . 13.367 . 1.096 0.775 -8.014 35 . 27612 APR C4D C4D C4D RC4* . C . . R 0 . . . 1 no no . . . . 53.842 . 17.623 . 13.261 . 1.279 -0.041 -6.720 36 . 27612 APR H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . 58.826 . 20.870 . 1.797 . 0.918 -2.381 9.417 37 . 27612 APR H61 H61 H61 1H6 . H . . N 0 . . . 1 no no . . . . 55.391 . 22.448 . 5.680 . 4.416 0.544 9.397 38 . 27612 APR H62 H62 H62 2H6 . H . . N 0 . . . 1 no no . . . . 55.118 . 22.640 . 4.051 . 4.286 1.415 7.966 39 . 27612 APR H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 57.553 . 18.439 . 7.753 . 1.265 1.493 4.196 40 . 27612 APR H'1 H'1 H'1 1H* . H . . N 0 . . . 1 no no . . . . 60.348 . 18.101 . 4.771 . -0.819 -1.592 5.042 41 . 27612 APR H'2 H'2 H'2 2H* . H . . N 0 . . . 1 no no . . . . 60.523 . 19.560 . 7.276 . -1.608 1.279 5.559 42 . 27612 APR HO'2 HO'2 HO'2 2HO* . H . . N 0 . . . 0 no no . . . . 62.741 . 19.086 . 6.988 . -3.464 0.149 6.354 43 . 27612 APR H'3 H'3 H'3 3H* . H . . N 0 . . . 1 no no . . . . 60.384 . 17.837 . 8.926 . -2.801 1.443 3.585 44 . 27612 APR HO'3 HO'3 HO'3 3HO* . H . . N 0 . . . 0 no no . . . . 62.309 . 16.580 . 9.101 . -4.474 0.319 4.673 45 . 27612 APR H'4 H'4 H'4 4H* . H . . N 0 . . . 1 no no . . . . 61.043 . 15.432 . 7.339 . -2.189 -1.407 2.782 46 . 27612 APR H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 no no . . . . 59.561 . 14.998 . 9.044 . -2.910 0.293 1.116 47 . 27612 APR H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 no no . . . . 59.058 . 16.598 . 9.194 . -1.552 1.340 1.595 48 . 27612 APR HOA2 HOA2 HOA2 2HOA . H . . N 0 . . . 0 no no . . . . 54.920 . 15.345 . 8.129 . -2.901 -0.566 -1.442 49 . 27612 APR HOB2 HOB2 HOB2 2HOB . H . . N 0 . . . 0 no no . . . . 57.173 . 17.625 . 12.523 . -2.105 -0.480 -3.884 50 . 27612 APR H5R1 H5R1 H5R1 1H5R . H . . N 0 . . . 0 no no . . . . 53.512 . 15.935 . 11.898 . -0.625 0.539 -5.897 51 . 27612 APR H5R2 H5R2 H5R2 2H5R . H . . N 0 . . . 0 no no . . . . 55.071 . 15.919 . 12.626 . 0.732 1.586 -5.418 52 . 27612 APR HOR1 HOR1 HOR1 1HOR . H . . N 0 . . . 0 no no . . . . 52.019 . 20.854 . 11.247 . 0.495 -3.469 -8.385 53 . 27612 APR HR'1 HR'1 HR'1 1HR* . H . . N 0 . . . 0 no no . . . . 52.595 . 20.484 . 13.422 . 2.078 -1.797 -8.642 54 . 27612 APR HOR2 HOR2 HOR2 2HOR . H . . N 0 . . . 0 no no . . . . 49.894 . 18.381 . 13.102 . 0.892 -0.792 -10.884 55 . 27612 APR HR'2 HR'2 HR'2 2HR* . H . . N 0 . . . 0 no no . . . . 51.559 . 18.323 . 11.503 . -0.512 -0.219 -9.122 56 . 27612 APR HOR3 HOR3 HOR3 3HOR . H . . N 0 . . . 0 no no . . . . 52.312 . 16.875 . 15.319 . 2.172 1.772 -9.288 57 . 27612 APR HR'3 HR'3 HR'3 3HR* . H . . N 0 . . . 0 no no . . . . 52.011 . 16.474 . 12.994 . 0.361 1.567 -7.864 58 . 27612 APR HR'4 HR'4 HR'4 4HR* . H . . N 0 . . . 0 no no . . . . 54.373 . 17.409 . 14.217 . 2.329 -0.038 -6.425 59 . 27612 APR 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 . SING N1 C2 yes N 1 . 27612 APR 2 . DOUB N1 C6 yes N 2 . 27612 APR 3 . DOUB C2 N3 yes N 3 . 27612 APR 4 . SING C2 H2 no N 4 . 27612 APR 5 . SING N3 C4 yes N 5 . 27612 APR 6 . DOUB C4 C5 yes N 6 . 27612 APR 7 . SING C4 N9 yes N 7 . 27612 APR 8 . SING C5 C6 yes N 8 . 27612 APR 9 . SING C5 N7 yes N 9 . 27612 APR 10 . SING C6 N6 no N 10 . 27612 APR 11 . SING N6 H61 no N 11 . 27612 APR 12 . SING N6 H62 no N 12 . 27612 APR 13 . DOUB N7 C8 yes N 13 . 27612 APR 14 . SING C8 N9 yes N 14 . 27612 APR 15 . SING C8 H8 no N 15 . 27612 APR 16 . SING N9 C1' no N 16 . 27612 APR 17 . SING C1' C2' no N 17 . 27612 APR 18 . SING C1' O4' no N 18 . 27612 APR 19 . SING C1' H'1 no N 19 . 27612 APR 20 . SING C2' O2' no N 20 . 27612 APR 21 . SING C2' C3' no N 21 . 27612 APR 22 . SING C2' H'2 no N 22 . 27612 APR 23 . SING O2' HO'2 no N 23 . 27612 APR 24 . SING C3' O3' no N 24 . 27612 APR 25 . SING C3' C4' no N 25 . 27612 APR 26 . SING C3' H'3 no N 26 . 27612 APR 27 . SING O3' HO'3 no N 27 . 27612 APR 28 . SING O4' C4' no N 28 . 27612 APR 29 . SING C4' C5' no N 29 . 27612 APR 30 . SING C4' H'4 no N 30 . 27612 APR 31 . SING C5' O5' no N 31 . 27612 APR 32 . SING C5' H5'1 no N 32 . 27612 APR 33 . SING C5' H5'2 no N 33 . 27612 APR 34 . SING O5' PA no N 34 . 27612 APR 35 . DOUB PA O1A no N 35 . 27612 APR 36 . SING PA O2A no N 36 . 27612 APR 37 . SING PA O3A no N 37 . 27612 APR 38 . SING O2A HOA2 no N 38 . 27612 APR 39 . SING O3A PB no N 39 . 27612 APR 40 . DOUB PB O1B no N 40 . 27612 APR 41 . SING PB O2B no N 41 . 27612 APR 42 . SING PB O5D no N 42 . 27612 APR 43 . SING O2B HOB2 no N 43 . 27612 APR 44 . SING O5D C5D no N 44 . 27612 APR 45 . SING C5D C4D no N 45 . 27612 APR 46 . SING C5D H5R1 no N 46 . 27612 APR 47 . SING C5D H5R2 no N 47 . 27612 APR 48 . SING O4D C1D no N 48 . 27612 APR 49 . SING O4D C4D no N 49 . 27612 APR 50 . SING O1D C1D no N 50 . 27612 APR 51 . SING O1D HOR1 no N 51 . 27612 APR 52 . SING C1D C2D no N 52 . 27612 APR 53 . SING C1D HR'1 no N 53 . 27612 APR 54 . SING O2D C2D no N 54 . 27612 APR 55 . SING O2D HOR2 no N 55 . 27612 APR 56 . SING C2D C3D no N 56 . 27612 APR 57 . SING C2D HR'2 no N 57 . 27612 APR 58 . SING O3D C3D no N 58 . 27612 APR 59 . SING O3D HOR3 no N 59 . 27612 APR 60 . SING C3D C4D no N 60 . 27612 APR 61 . SING C3D HR'3 no N 61 . 27612 APR 62 . SING C4D HR'4 no N 62 . 27612 APR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27612 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 'MAYV MD' '[U-99% 15N]' . . 1 $MAYV_macro_domain . . 0.4 . . mM . . . . 27612 1 2 ADP-ribose 'natural abundance' . . 2 $entity_APR . . 1.6 . . mM . . . . 27612 1 3 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 27612 1 4 NaCl 'natural abundance' . . . . . . 20 . . mM . . . . 27612 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27612 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 'MAYV MD' '[U-99% 13C; U-99% 15N]' . . 1 $MAYV_macro_domain . . 0.6 . . mM . . . . 27612 2 2 ADP-ribose 'natural abundance' . . 2 $entity_APR . . 1.2 . . mM . . . . 27612 2 3 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 27612 2 4 NaCl 'natural abundance' . . . . . . 20 . . mM . . . . 27612 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27612 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 27612 1 pH 7 . pH 27612 1 pressure 1 . atm 27612 1 temperature 298 . K 27612 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27612 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27612 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27612 1 processing 27612 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27612 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance HD- III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27612 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance HD- III HD' . 700 . . . 27612 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 27612 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27612 1 2 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27612 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27612 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27612 1 5 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27612 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27612 1 7 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27612 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27612 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27612 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27612 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27612 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27612 _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 internal indirect 0.251449530 . . . . . 27612 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . 27612 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . . . 27612 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27612 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27612 1 2 '3D HNHA' . . . 27612 1 3 '3D 1H-15N NOESY' . . . 27612 1 4 '3D HNCA' . . . 27612 1 5 '3D HN(CO)CA' . . . 27612 1 6 '3D CBCA(CO)NH' . . . 27612 1 7 '3D HNCACB' . . . 27612 1 8 '3D HCCH-TOCSY' . . . 27612 1 9 '2D 1H-13C HSQC' . . . 27612 1 10 '3D HBHA(CO)NH' . . . 27612 1 11 '3D 1H-13C NOESY aliphatic' . . . 27612 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 PRO HA H 1 4.250 0.020 . 1 . . . . . 2 PRO HA . 27612 1 2 . 1 1 3 3 PRO HB2 H 1 1.930 0.020 . 2 . . . . . 2 PRO HB2 . 27612 1 3 . 1 1 3 3 PRO HB3 H 1 1.044 0.020 . 2 . . . . . 2 PRO HB3 . 27612 1 4 . 1 1 3 3 PRO HG2 H 1 2.216 0.020 . 2 . . . . . 2 PRO HG2 . 27612 1 5 . 1 1 3 3 PRO HG3 H 1 1.629 0.020 . 2 . . . . . 2 PRO HG3 . 27612 1 6 . 1 1 3 3 PRO HD2 H 1 3.968 0.020 . 2 . . . . . 2 PRO HD2 . 27612 1 7 . 1 1 3 3 PRO HD3 H 1 3.622 0.020 . 2 . . . . . 2 PRO HD3 . 27612 1 8 . 1 1 3 3 PRO CA C 13 62.849 0.3 . 1 . . . . . 2 PRO CA . 27612 1 9 . 1 1 3 3 PRO CB C 13 32.894 0.3 . 1 . . . . . 2 PRO CB . 27612 1 10 . 1 1 3 3 PRO CG C 13 26.822 0.3 . 1 . . . . . 2 PRO CG . 27612 1 11 . 1 1 3 3 PRO CD C 13 50.001 0.3 . 1 . . . . . 2 PRO CD . 27612 1 12 . 1 1 4 4 ALA H H 1 7.461 0.020 . 1 . . . . . 3 ALA H . 27612 1 13 . 1 1 4 4 ALA HA H 1 4.638 0.020 . 1 . . . . . 3 ALA HA . 27612 1 14 . 1 1 4 4 ALA HB1 H 1 1.252 0.020 . 1 . . . . . 3 ALA HB . 27612 1 15 . 1 1 4 4 ALA HB2 H 1 1.252 0.020 . 1 . . . . . 3 ALA HB . 27612 1 16 . 1 1 4 4 ALA HB3 H 1 1.252 0.020 . 1 . . . . . 3 ALA HB . 27612 1 17 . 1 1 4 4 ALA CA C 13 50.680 0.3 . 1 . . . . . 3 ALA CA . 27612 1 18 . 1 1 4 4 ALA CB C 13 21.166 0.3 . 1 . . . . . 3 ALA CB . 27612 1 19 . 1 1 4 4 ALA N N 15 122.582 0.3 . 1 . . . . . 3 ALA N . 27612 1 20 . 1 1 5 5 TYR H H 1 8.642 0.020 . 1 . . . . . 4 TYR H . 27612 1 21 . 1 1 5 5 TYR HA H 1 5.637 0.020 . 1 . . . . . 4 TYR HA . 27612 1 22 . 1 1 5 5 TYR HB2 H 1 2.706 0.020 . 1 . . . . . 4 TYR HB2 . 27612 1 23 . 1 1 5 5 TYR HB3 H 1 2.706 0.020 . 1 . . . . . 4 TYR HB3 . 27612 1 24 . 1 1 5 5 TYR CA C 13 57.821 0.3 . 1 . . . . . 4 TYR CA . 27612 1 25 . 1 1 5 5 TYR CB C 13 43.019 0.3 . 1 . . . . . 4 TYR CB . 27612 1 26 . 1 1 5 5 TYR N N 15 121.994 0.3 . 1 . . . . . 4 TYR N . 27612 1 27 . 1 1 6 6 THR H H 1 8.880 0.020 . 1 . . . . . 5 THR H . 27612 1 28 . 1 1 6 6 THR HA H 1 4.541 0.020 . 1 . . . . . 5 THR HA . 27612 1 29 . 1 1 6 6 THR HB H 1 4.122 0.020 . 1 . . . . . 5 THR HB . 27612 1 30 . 1 1 6 6 THR CA C 13 60.760 0.3 . 1 . . . . . 5 THR CA . 27612 1 31 . 1 1 6 6 THR CB C 13 72.348 0.3 . 1 . . . . . 5 THR CB . 27612 1 32 . 1 1 6 6 THR N N 15 116.318 0.3 . 1 . . . . . 5 THR N . 27612 1 33 . 1 1 7 7 VAL H H 1 8.441 0.020 . 1 . . . . . 6 VAL H . 27612 1 34 . 1 1 7 7 VAL HA H 1 5.264 0.020 . 1 . . . . . 6 VAL HA . 27612 1 35 . 1 1 7 7 VAL HB H 1 1.834 0.020 . 1 . . . . . 6 VAL HB . 27612 1 36 . 1 1 7 7 VAL HG11 H 1 0.952 0.020 . 1 . . . . . 6 VAL HG1 . 27612 1 37 . 1 1 7 7 VAL HG12 H 1 0.952 0.020 . 1 . . . . . 6 VAL HG1 . 27612 1 38 . 1 1 7 7 VAL HG13 H 1 0.952 0.020 . 1 . . . . . 6 VAL HG1 . 27612 1 39 . 1 1 7 7 VAL HG21 H 1 0.899 0.020 . 1 . . . . . 6 VAL HG2 . 27612 1 40 . 1 1 7 7 VAL HG22 H 1 0.899 0.020 . 1 . . . . . 6 VAL HG2 . 27612 1 41 . 1 1 7 7 VAL HG23 H 1 0.899 0.020 . 1 . . . . . 6 VAL HG2 . 27612 1 42 . 1 1 7 7 VAL CA C 13 59.300 0.3 . 1 . . . . . 6 VAL CA . 27612 1 43 . 1 1 7 7 VAL CB C 13 34.687 0.3 . 1 . . . . . 6 VAL CB . 27612 1 44 . 1 1 7 7 VAL CG1 C 13 20.472 0.3 . 1 . . . . . 6 VAL CG1 . 27612 1 45 . 1 1 7 7 VAL CG2 C 13 23.138 0.3 . 1 . . . . . 6 VAL CG2 . 27612 1 46 . 1 1 7 7 VAL N N 15 121.189 0.3 . 1 . . . . . 6 VAL N . 27612 1 47 . 1 1 8 8 LYS H H 1 9.064 0.020 . 1 . . . . . 7 LYS H . 27612 1 48 . 1 1 8 8 LYS HA H 1 4.358 0.020 . 1 . . . . . 7 LYS HA . 27612 1 49 . 1 1 8 8 LYS HB2 H 1 0.910 0.020 . 2 . . . . . 7 LYS HB2 . 27612 1 50 . 1 1 8 8 LYS HB3 H 1 0.756 0.020 . 2 . . . . . 7 LYS HB3 . 27612 1 51 . 1 1 8 8 LYS HG2 H 1 0.976 0.020 . 1 . . . . . 7 LYS HG2 . 27612 1 52 . 1 1 8 8 LYS HG3 H 1 0.976 0.020 . 1 . . . . . 7 LYS HG3 . 27612 1 53 . 1 1 8 8 LYS HD2 H 1 1.439 0.020 . 1 . . . . . 7 LYS HD2 . 27612 1 54 . 1 1 8 8 LYS HD3 H 1 1.439 0.020 . 1 . . . . . 7 LYS HD3 . 27612 1 55 . 1 1 8 8 LYS HE2 H 1 2.970 0.020 . 2 . . . . . 7 LYS HE2 . 27612 1 56 . 1 1 8 8 LYS HE3 H 1 2.818 0.020 . 2 . . . . . 7 LYS HE3 . 27612 1 57 . 1 1 8 8 LYS CA C 13 54.866 0.3 . 1 . . . . . 7 LYS CA . 27612 1 58 . 1 1 8 8 LYS CB C 13 36.228 0.3 . 1 . . . . . 7 LYS CB . 27612 1 59 . 1 1 8 8 LYS CG C 13 24.914 0.3 . 1 . . . . . 7 LYS CG . 27612 1 60 . 1 1 8 8 LYS CD C 13 29.211 0.3 . 1 . . . . . 7 LYS CD . 27612 1 61 . 1 1 8 8 LYS CE C 13 41.916 0.3 . 1 . . . . . 7 LYS CE . 27612 1 62 . 1 1 8 8 LYS N N 15 129.851 0.3 . 1 . . . . . 7 LYS N . 27612 1 63 . 1 1 9 9 ARG H H 1 8.490 0.020 . 1 . . . . . 8 ARG H . 27612 1 64 . 1 1 9 9 ARG HA H 1 5.161 0.020 . 1 . . . . . 8 ARG HA . 27612 1 65 . 1 1 9 9 ARG HB2 H 1 1.920 0.020 . 2 . . . . . 8 ARG HB2 . 27612 1 66 . 1 1 9 9 ARG HB3 H 1 0.967 0.020 . 2 . . . . . 8 ARG HB3 . 27612 1 67 . 1 1 9 9 ARG HG2 H 1 1.111 0.020 . 1 . . . . . 8 ARG HG2 . 27612 1 68 . 1 1 9 9 ARG HG3 H 1 1.111 0.020 . 1 . . . . . 8 ARG HG3 . 27612 1 69 . 1 1 9 9 ARG HD2 H 1 3.039 0.020 . 1 . . . . . 8 ARG HD2 . 27612 1 70 . 1 1 9 9 ARG HD3 H 1 3.039 0.020 . 1 . . . . . 8 ARG HD3 . 27612 1 71 . 1 1 9 9 ARG CA C 13 53.503 0.3 . 1 . . . . . 8 ARG CA . 27612 1 72 . 1 1 9 9 ARG CB C 13 29.561 0.3 . 1 . . . . . 8 ARG CB . 27612 1 73 . 1 1 9 9 ARG CG C 13 27.806 0.3 . 1 . . . . . 8 ARG CG . 27612 1 74 . 1 1 9 9 ARG CD C 13 42.823 0.3 . 1 . . . . . 8 ARG CD . 27612 1 75 . 1 1 9 9 ARG N N 15 128.509 0.3 . 1 . . . . . 8 ARG N . 27612 1 76 . 1 1 10 10 ALA H H 1 8.267 0.020 . 1 . . . . . 9 ALA H . 27612 1 77 . 1 1 10 10 ALA HA H 1 4.421 0.020 . 1 . . . . . 9 ALA HA . 27612 1 78 . 1 1 10 10 ALA HB1 H 1 1.376 0.020 . 1 . . . . . 9 ALA HB . 27612 1 79 . 1 1 10 10 ALA HB2 H 1 1.376 0.020 . 1 . . . . . 9 ALA HB . 27612 1 80 . 1 1 10 10 ALA HB3 H 1 1.376 0.020 . 1 . . . . . 9 ALA HB . 27612 1 81 . 1 1 10 10 ALA CA C 13 50.958 0.3 . 1 . . . . . 9 ALA CA . 27612 1 82 . 1 1 10 10 ALA CB C 13 22.118 0.3 . 1 . . . . . 9 ALA CB . 27612 1 83 . 1 1 10 10 ALA N N 15 128.475 0.3 . 1 . . . . . 9 ALA N . 27612 1 84 . 1 1 11 11 ASP H H 1 8.335 0.020 . 1 . . . . . 10 ASP H . 27612 1 85 . 1 1 11 11 ASP HA H 1 5.038 0.020 . 1 . . . . . 10 ASP HA . 27612 1 86 . 1 1 11 11 ASP HB2 H 1 2.810 0.020 . 2 . . . . . 10 ASP HB2 . 27612 1 87 . 1 1 11 11 ASP HB3 H 1 2.682 0.020 . 2 . . . . . 10 ASP HB3 . 27612 1 88 . 1 1 11 11 ASP CA C 13 53.389 0.3 . 1 . . . . . 10 ASP CA . 27612 1 89 . 1 1 11 11 ASP CB C 13 41.908 0.3 . 1 . . . . . 10 ASP CB . 27612 1 90 . 1 1 11 11 ASP N N 15 117.595 0.3 . 1 . . . . . 10 ASP N . 27612 1 91 . 1 1 12 12 ILE HA H 1 3.578 0.020 . 1 . . . . . 11 ILE HA . 27612 1 92 . 1 1 12 12 ILE HB H 1 1.314 0.020 . 1 . . . . . 11 ILE HB . 27612 1 93 . 1 1 12 12 ILE HG12 H 1 0.485 0.020 . 2 . . . . . 11 ILE HG12 . 27612 1 94 . 1 1 12 12 ILE HG13 H 1 0.399 0.020 . 2 . . . . . 11 ILE HG13 . 27612 1 95 . 1 1 12 12 ILE HG21 H 1 0.607 0.020 . 1 . . . . . 11 ILE HG2 . 27612 1 96 . 1 1 12 12 ILE HG22 H 1 0.607 0.020 . 1 . . . . . 11 ILE HG2 . 27612 1 97 . 1 1 12 12 ILE HG23 H 1 0.607 0.020 . 1 . . . . . 11 ILE HG2 . 27612 1 98 . 1 1 12 12 ILE HD11 H 1 0.412 0.020 . 1 . . . . . 11 ILE HD1 . 27612 1 99 . 1 1 12 12 ILE HD12 H 1 0.412 0.020 . 1 . . . . . 11 ILE HD1 . 27612 1 100 . 1 1 12 12 ILE HD13 H 1 0.412 0.020 . 1 . . . . . 11 ILE HD1 . 27612 1 101 . 1 1 12 12 ILE CA C 13 64.355 0.3 . 1 . . . . . 11 ILE CA . 27612 1 102 . 1 1 12 12 ILE CB C 13 38.942 0.3 . 1 . . . . . 11 ILE CB . 27612 1 103 . 1 1 12 12 ILE CG1 C 13 29.341 0.3 . 1 . . . . . 11 ILE CG1 . 27612 1 104 . 1 1 12 12 ILE CG2 C 13 16.776 0.3 . 1 . . . . . 11 ILE CG2 . 27612 1 105 . 1 1 12 12 ILE CD1 C 13 13.891 0.3 . 1 . . . . . 11 ILE CD1 . 27612 1 106 . 1 1 13 13 ALA H H 1 8.555 0.020 . 1 . . . . . 12 ALA H . 27612 1 107 . 1 1 13 13 ALA HA H 1 4.178 0.020 . 1 . . . . . 12 ALA HA . 27612 1 108 . 1 1 13 13 ALA HB1 H 1 1.309 0.020 . 1 . . . . . 12 ALA HB . 27612 1 109 . 1 1 13 13 ALA HB2 H 1 1.309 0.020 . 1 . . . . . 12 ALA HB . 27612 1 110 . 1 1 13 13 ALA HB3 H 1 1.309 0.020 . 1 . . . . . 12 ALA HB . 27612 1 111 . 1 1 13 13 ALA CA C 13 53.914 0.3 . 1 . . . . . 12 ALA CA . 27612 1 112 . 1 1 13 13 ALA CB C 13 18.854 0.3 . 1 . . . . . 12 ALA CB . 27612 1 113 . 1 1 13 13 ALA N N 15 123.467 0.3 . 1 . . . . . 12 ALA N . 27612 1 114 . 1 1 14 14 THR H H 1 8.249 0.020 . 1 . . . . . 13 THR H . 27612 1 115 . 1 1 14 14 THR HA H 1 4.347 0.020 . 1 . . . . . 13 THR HA . 27612 1 116 . 1 1 14 14 THR HB H 1 4.542 0.020 . 1 . . . . . 13 THR HB . 27612 1 117 . 1 1 14 14 THR HG21 H 1 1.342 0.020 . 1 . . . . . 13 THR HG2 . 27612 1 118 . 1 1 14 14 THR HG22 H 1 1.342 0.020 . 1 . . . . . 13 THR HG2 . 27612 1 119 . 1 1 14 14 THR HG23 H 1 1.342 0.020 . 1 . . . . . 13 THR HG2 . 27612 1 120 . 1 1 14 14 THR CA C 13 61.393 0.3 . 1 . . . . . 13 THR CA . 27612 1 121 . 1 1 14 14 THR CB C 13 70.046 0.3 . 1 . . . . . 13 THR CB . 27612 1 122 . 1 1 14 14 THR CG2 C 13 20.931 0.3 . 1 . . . . . 13 THR CG2 . 27612 1 123 . 1 1 14 14 THR N N 15 108.314 0.3 . 1 . . . . . 13 THR N . 27612 1 124 . 1 1 15 15 ALA H H 1 7.716 0.020 . 1 . . . . . 14 ALA H . 27612 1 125 . 1 1 15 15 ALA HA H 1 4.495 0.020 . 1 . . . . . 14 ALA HA . 27612 1 126 . 1 1 15 15 ALA HB1 H 1 1.444 0.020 . 1 . . . . . 14 ALA HB . 27612 1 127 . 1 1 15 15 ALA HB2 H 1 1.444 0.020 . 1 . . . . . 14 ALA HB . 27612 1 128 . 1 1 15 15 ALA HB3 H 1 1.444 0.020 . 1 . . . . . 14 ALA HB . 27612 1 129 . 1 1 15 15 ALA CA C 13 54.271 0.3 . 1 . . . . . 14 ALA CA . 27612 1 130 . 1 1 15 15 ALA CB C 13 19.983 0.3 . 1 . . . . . 14 ALA CB . 27612 1 131 . 1 1 15 15 ALA N N 15 126.508 0.3 . 1 . . . . . 14 ALA N . 27612 1 132 . 1 1 16 16 ILE H H 1 6.945 0.020 . 1 . . . . . 15 ILE H . 27612 1 133 . 1 1 16 16 ILE HA H 1 4.616 0.020 . 1 . . . . . 15 ILE HA . 27612 1 134 . 1 1 16 16 ILE HB H 1 2.185 0.020 . 1 . . . . . 15 ILE HB . 27612 1 135 . 1 1 16 16 ILE HG12 H 1 1.181 0.020 . 1 . . . . . 15 ILE HG12 . 27612 1 136 . 1 1 16 16 ILE HG13 H 1 1.181 0.020 . 1 . . . . . 15 ILE HG13 . 27612 1 137 . 1 1 16 16 ILE HG21 H 1 0.997 0.020 . 1 . . . . . 15 ILE HG2 . 27612 1 138 . 1 1 16 16 ILE HG22 H 1 0.997 0.020 . 1 . . . . . 15 ILE HG2 . 27612 1 139 . 1 1 16 16 ILE HG23 H 1 0.997 0.020 . 1 . . . . . 15 ILE HG2 . 27612 1 140 . 1 1 16 16 ILE HD11 H 1 0.858 0.020 . 1 . . . . . 15 ILE HD1 . 27612 1 141 . 1 1 16 16 ILE HD12 H 1 0.858 0.020 . 1 . . . . . 15 ILE HD1 . 27612 1 142 . 1 1 16 16 ILE HD13 H 1 0.858 0.020 . 1 . . . . . 15 ILE HD1 . 27612 1 143 . 1 1 16 16 ILE CA C 13 60.184 0.3 . 1 . . . . . 15 ILE CA . 27612 1 144 . 1 1 16 16 ILE CB C 13 38.638 0.3 . 1 . . . . . 15 ILE CB . 27612 1 145 . 1 1 16 16 ILE CG1 C 13 25.924 0.3 . 1 . . . . . 15 ILE CG1 . 27612 1 146 . 1 1 16 16 ILE CG2 C 13 18.447 0.3 . 1 . . . . . 15 ILE CG2 . 27612 1 147 . 1 1 16 16 ILE CD1 C 13 14.086 0.3 . 1 . . . . . 15 ILE CD1 . 27612 1 148 . 1 1 16 16 ILE N N 15 113.811 0.3 . 1 . . . . . 15 ILE N . 27612 1 149 . 1 1 17 17 GLU H H 1 8.338 0.020 . 1 . . . . . 16 GLU H . 27612 1 150 . 1 1 17 17 GLU HA H 1 4.021 0.020 . 1 . . . . . 16 GLU HA . 27612 1 151 . 1 1 17 17 GLU HB2 H 1 2.112 0.020 . 1 . . . . . 16 GLU HB2 . 27612 1 152 . 1 1 17 17 GLU HB3 H 1 2.112 0.020 . 1 . . . . . 16 GLU HB3 . 27612 1 153 . 1 1 17 17 GLU HG2 H 1 2.563 0.020 . 2 . . . . . 16 GLU HG2 . 27612 1 154 . 1 1 17 17 GLU HG3 H 1 2.281 0.020 . 2 . . . . . 16 GLU HG3 . 27612 1 155 . 1 1 17 17 GLU CA C 13 59.020 0.3 . 1 . . . . . 16 GLU CA . 27612 1 156 . 1 1 17 17 GLU CB C 13 30.444 0.3 . 1 . . . . . 16 GLU CB . 27612 1 157 . 1 1 17 17 GLU CG C 13 39.089 0.3 . 1 . . . . . 16 GLU CG . 27612 1 158 . 1 1 17 17 GLU N N 15 124.624 0.3 . 1 . . . . . 16 GLU N . 27612 1 159 . 1 1 18 18 ASP H H 1 7.880 0.020 . 1 . . . . . 17 ASP H . 27612 1 160 . 1 1 18 18 ASP HA H 1 4.404 0.020 . 1 . . . . . 17 ASP HA . 27612 1 161 . 1 1 18 18 ASP HB2 H 1 2.962 0.020 . 1 . . . . . 17 ASP HB2 . 27612 1 162 . 1 1 18 18 ASP HB3 H 1 2.962 0.020 . 1 . . . . . 17 ASP HB3 . 27612 1 163 . 1 1 18 18 ASP CA C 13 57.051 0.3 . 1 . . . . . 17 ASP CA . 27612 1 164 . 1 1 18 18 ASP CB C 13 42.190 0.3 . 1 . . . . . 17 ASP CB . 27612 1 165 . 1 1 18 18 ASP N N 15 119.618 0.3 . 1 . . . . . 17 ASP N . 27612 1 166 . 1 1 19 19 ALA H H 1 7.612 0.020 . 1 . . . . . 18 ALA H . 27612 1 167 . 1 1 19 19 ALA HA H 1 5.675 0.020 . 1 . . . . . 18 ALA HA . 27612 1 168 . 1 1 19 19 ALA HB1 H 1 1.294 0.020 . 1 . . . . . 18 ALA HB . 27612 1 169 . 1 1 19 19 ALA HB2 H 1 1.294 0.020 . 1 . . . . . 18 ALA HB . 27612 1 170 . 1 1 19 19 ALA HB3 H 1 1.294 0.020 . 1 . . . . . 18 ALA HB . 27612 1 171 . 1 1 19 19 ALA CA C 13 49.028 0.3 . 1 . . . . . 18 ALA CA . 27612 1 172 . 1 1 19 19 ALA CB C 13 24.143 0.3 . 1 . . . . . 18 ALA CB . 27612 1 173 . 1 1 19 19 ALA N N 15 117.982 0.3 . 1 . . . . . 18 ALA N . 27612 1 174 . 1 1 20 20 VAL H H 1 8.609 0.020 . 1 . . . . . 19 VAL H . 27612 1 175 . 1 1 20 20 VAL HA H 1 4.416 0.020 . 1 . . . . . 19 VAL HA . 27612 1 176 . 1 1 20 20 VAL HB H 1 1.247 0.020 . 1 . . . . . 19 VAL HB . 27612 1 177 . 1 1 20 20 VAL HG11 H 1 0.496 0.020 . 1 . . . . . 19 VAL HG1 . 27612 1 178 . 1 1 20 20 VAL HG12 H 1 0.496 0.020 . 1 . . . . . 19 VAL HG1 . 27612 1 179 . 1 1 20 20 VAL HG13 H 1 0.496 0.020 . 1 . . . . . 19 VAL HG1 . 27612 1 180 . 1 1 20 20 VAL HG21 H 1 0.444 0.020 . 1 . . . . . 19 VAL HG2 . 27612 1 181 . 1 1 20 20 VAL HG22 H 1 0.444 0.020 . 1 . . . . . 19 VAL HG2 . 27612 1 182 . 1 1 20 20 VAL HG23 H 1 0.444 0.020 . 1 . . . . . 19 VAL HG2 . 27612 1 183 . 1 1 20 20 VAL CA C 13 60.916 0.3 . 1 . . . . . 19 VAL CA . 27612 1 184 . 1 1 20 20 VAL CB C 13 35.042 0.3 . 1 . . . . . 19 VAL CB . 27612 1 185 . 1 1 20 20 VAL CG1 C 13 20.266 0.3 . 1 . . . . . 19 VAL CG1 . 27612 1 186 . 1 1 20 20 VAL N N 15 122.627 0.3 . 1 . . . . . 19 VAL N . 27612 1 187 . 1 1 21 21 VAL H H 1 8.608 0.020 . 1 . . . . . 20 VAL H . 27612 1 188 . 1 1 21 21 VAL HA H 1 4.636 0.020 . 1 . . . . . 20 VAL HA . 27612 1 189 . 1 1 21 21 VAL HB H 1 2.240 0.020 . 1 . . . . . 20 VAL HB . 27612 1 190 . 1 1 21 21 VAL HG11 H 1 0.869 0.020 . 1 . . . . . 20 VAL HG1 . 27612 1 191 . 1 1 21 21 VAL HG12 H 1 0.869 0.020 . 1 . . . . . 20 VAL HG1 . 27612 1 192 . 1 1 21 21 VAL HG13 H 1 0.869 0.020 . 1 . . . . . 20 VAL HG1 . 27612 1 193 . 1 1 21 21 VAL HG21 H 1 0.881 0.020 . 1 . . . . . 20 VAL HG2 . 27612 1 194 . 1 1 21 21 VAL HG22 H 1 0.881 0.020 . 1 . . . . . 20 VAL HG2 . 27612 1 195 . 1 1 21 21 VAL HG23 H 1 0.881 0.020 . 1 . . . . . 20 VAL HG2 . 27612 1 196 . 1 1 21 21 VAL CA C 13 60.136 0.3 . 1 . . . . . 20 VAL CA . 27612 1 197 . 1 1 21 21 VAL CB C 13 32.658 0.3 . 1 . . . . . 20 VAL CB . 27612 1 198 . 1 1 21 21 VAL CG1 C 13 22.960 0.3 . 1 . . . . . 20 VAL CG1 . 27612 1 199 . 1 1 21 21 VAL CG2 C 13 21.166 0.3 . 1 . . . . . 20 VAL CG2 . 27612 1 200 . 1 1 21 21 VAL N N 15 128.205 0.3 . 1 . . . . . 20 VAL N . 27612 1 201 . 1 1 22 22 ASN H H 1 8.508 0.020 . 1 . . . . . 21 ASN H . 27612 1 202 . 1 1 22 22 ASN HA H 1 4.599 0.020 . 1 . . . . . 21 ASN HA . 27612 1 203 . 1 1 22 22 ASN HB2 H 1 2.440 0.020 . 2 . . . . . 21 ASN HB2 . 27612 1 204 . 1 1 22 22 ASN HB3 H 1 1.901 0.020 . 2 . . . . . 21 ASN HB3 . 27612 1 205 . 1 1 22 22 ASN CA C 13 50.972 0.3 . 1 . . . . . 21 ASN CA . 27612 1 206 . 1 1 22 22 ASN CB C 13 41.116 0.3 . 1 . . . . . 21 ASN CB . 27612 1 207 . 1 1 22 22 ASN N N 15 122.407 0.3 . 1 . . . . . 21 ASN N . 27612 1 208 . 1 1 23 23 ALA H H 1 5.714 0.020 . 1 . . . . . 22 ALA H . 27612 1 209 . 1 1 23 23 ALA HA H 1 4.574 0.020 . 1 . . . . . 22 ALA HA . 27612 1 210 . 1 1 23 23 ALA HB1 H 1 1.414 0.020 . 1 . . . . . 22 ALA HB . 27612 1 211 . 1 1 23 23 ALA HB2 H 1 1.414 0.020 . 1 . . . . . 22 ALA HB . 27612 1 212 . 1 1 23 23 ALA HB3 H 1 1.414 0.020 . 1 . . . . . 22 ALA HB . 27612 1 213 . 1 1 23 23 ALA CA C 13 51.882 0.3 . 1 . . . . . 22 ALA CA . 27612 1 214 . 1 1 23 23 ALA CB C 13 17.317 0.3 . 1 . . . . . 22 ALA CB . 27612 1 215 . 1 1 23 23 ALA N N 15 131.142 0.3 . 1 . . . . . 22 ALA N . 27612 1 216 . 1 1 24 24 ALA H H 1 8.577 0.020 . 1 . . . . . 23 ALA H . 27612 1 217 . 1 1 24 24 ALA HA H 1 4.568 0.020 . 1 . . . . . 23 ALA HA . 27612 1 218 . 1 1 24 24 ALA HB1 H 1 1.418 0.020 . 1 . . . . . 23 ALA HB . 27612 1 219 . 1 1 24 24 ALA HB2 H 1 1.418 0.020 . 1 . . . . . 23 ALA HB . 27612 1 220 . 1 1 24 24 ALA HB3 H 1 1.418 0.020 . 1 . . . . . 23 ALA HB . 27612 1 221 . 1 1 24 24 ALA CA C 13 51.555 0.3 . 1 . . . . . 23 ALA CA . 27612 1 222 . 1 1 24 24 ALA CB C 13 23.430 0.3 . 1 . . . . . 23 ALA CB . 27612 1 223 . 1 1 24 24 ALA N N 15 130.820 0.3 . 1 . . . . . 23 ALA N . 27612 1 224 . 1 1 25 25 ASN H H 1 7.057 0.020 . 1 . . . . . 24 ASN H . 27612 1 225 . 1 1 25 25 ASN HA H 1 5.644 0.020 . 1 . . . . . 24 ASN HA . 27612 1 226 . 1 1 25 25 ASN HB2 H 1 3.353 0.020 . 1 . . . . . 24 ASN HB2 . 27612 1 227 . 1 1 25 25 ASN HB3 H 1 3.353 0.020 . 1 . . . . . 24 ASN HB3 . 27612 1 228 . 1 1 25 25 ASN CA C 13 50.886 0.3 . 1 . . . . . 24 ASN CA . 27612 1 229 . 1 1 25 25 ASN CB C 13 43.317 0.3 . 1 . . . . . 24 ASN CB . 27612 1 230 . 1 1 25 25 ASN N N 15 108.200 0.3 . 1 . . . . . 24 ASN N . 27612 1 231 . 1 1 26 26 HIS HA H 1 5.203 0.020 . 1 . . . . . 25 HIS HA . 27612 1 232 . 1 1 26 26 HIS HB2 H 1 3.503 0.020 . 1 . . . . . 25 HIS HB2 . 27612 1 233 . 1 1 26 26 HIS HB3 H 1 3.503 0.020 . 1 . . . . . 25 HIS HB3 . 27612 1 234 . 1 1 26 26 HIS CA C 13 58.129 0.3 . 1 . . . . . 25 HIS CA . 27612 1 235 . 1 1 26 26 HIS CB C 13 30.475 0.3 . 1 . . . . . 25 HIS CB . 27612 1 236 . 1 1 27 27 ARG H H 1 7.025 0.020 . 1 . . . . . 26 ARG H . 27612 1 237 . 1 1 27 27 ARG HA H 1 4.152 0.020 . 1 . . . . . 26 ARG HA . 27612 1 238 . 1 1 27 27 ARG HB2 H 1 1.777 0.020 . 1 . . . . . 26 ARG HB2 . 27612 1 239 . 1 1 27 27 ARG HB3 H 1 1.777 0.020 . 1 . . . . . 26 ARG HB3 . 27612 1 240 . 1 1 27 27 ARG HG2 H 1 0.997 0.020 . 2 . . . . . 26 ARG HG2 . 27612 1 241 . 1 1 27 27 ARG HG3 H 1 0.716 0.020 . 2 . . . . . 26 ARG HG3 . 27612 1 242 . 1 1 27 27 ARG HD2 H 1 3.025 0.020 . 1 . . . . . 26 ARG HD2 . 27612 1 243 . 1 1 27 27 ARG HD3 H 1 3.025 0.020 . 1 . . . . . 26 ARG HD3 . 27612 1 244 . 1 1 27 27 ARG CA C 13 55.418 0.3 . 1 . . . . . 26 ARG CA . 27612 1 245 . 1 1 27 27 ARG CB C 13 29.953 0.3 . 1 . . . . . 26 ARG CB . 27612 1 246 . 1 1 27 27 ARG CG C 13 26.760 0.3 . 1 . . . . . 26 ARG CG . 27612 1 247 . 1 1 27 27 ARG CD C 13 42.666 0.3 . 1 . . . . . 26 ARG CD . 27612 1 248 . 1 1 27 27 ARG N N 15 117.714 0.3 . 1 . . . . . 26 ARG N . 27612 1 249 . 1 1 28 28 GLY H H 1 7.585 0.020 . 1 . . . . . 27 GLY H . 27612 1 250 . 1 1 28 28 GLY HA2 H 1 3.929 0.020 . 2 . . . . . 27 GLY HA2 . 27612 1 251 . 1 1 28 28 GLY HA3 H 1 3.555 0.020 . 2 . . . . . 27 GLY HA3 . 27612 1 252 . 1 1 28 28 GLY CA C 13 46.060 0.3 . 1 . . . . . 27 GLY CA . 27612 1 253 . 1 1 28 28 GLY N N 15 110.060 0.3 . 1 . . . . . 27 GLY N . 27612 1 254 . 1 1 29 29 GLN H H 1 8.179 0.020 . 1 . . . . . 28 GLN H . 27612 1 255 . 1 1 29 29 GLN HA H 1 4.383 0.020 . 1 . . . . . 28 GLN HA . 27612 1 256 . 1 1 29 29 GLN HB2 H 1 1.880 0.020 . 2 . . . . . 28 GLN HB2 . 27612 1 257 . 1 1 29 29 GLN HB3 H 1 1.747 0.020 . 2 . . . . . 28 GLN HB3 . 27612 1 258 . 1 1 29 29 GLN HG2 H 1 2.164 0.020 . 2 . . . . . 28 GLN HG2 . 27612 1 259 . 1 1 29 29 GLN HG3 H 1 2.062 0.020 . 2 . . . . . 28 GLN HG3 . 27612 1 260 . 1 1 29 29 GLN CA C 13 54.256 0.3 . 1 . . . . . 28 GLN CA . 27612 1 261 . 1 1 29 29 GLN CB C 13 30.760 0.3 . 1 . . . . . 28 GLN CB . 27612 1 262 . 1 1 29 29 GLN CG C 13 33.822 0.3 . 1 . . . . . 28 GLN CG . 27612 1 263 . 1 1 29 29 GLN N N 15 117.745 0.3 . 1 . . . . . 28 GLN N . 27612 1 264 . 1 1 30 30 VAL H H 1 8.767 0.020 . 1 . . . . . 29 VAL H . 27612 1 265 . 1 1 30 30 VAL HA H 1 3.327 0.020 . 1 . . . . . 29 VAL HA . 27612 1 266 . 1 1 30 30 VAL HB H 1 1.896 0.020 . 1 . . . . . 29 VAL HB . 27612 1 267 . 1 1 30 30 VAL HG11 H 1 0.702 0.020 . 1 . . . . . 29 VAL HG1 . 27612 1 268 . 1 1 30 30 VAL HG12 H 1 0.702 0.020 . 1 . . . . . 29 VAL HG1 . 27612 1 269 . 1 1 30 30 VAL HG13 H 1 0.702 0.020 . 1 . . . . . 29 VAL HG1 . 27612 1 270 . 1 1 30 30 VAL HG21 H 1 0.998 0.020 . 1 . . . . . 29 VAL HG2 . 27612 1 271 . 1 1 30 30 VAL HG22 H 1 0.998 0.020 . 1 . . . . . 29 VAL HG2 . 27612 1 272 . 1 1 30 30 VAL HG23 H 1 0.998 0.020 . 1 . . . . . 29 VAL HG2 . 27612 1 273 . 1 1 30 30 VAL CA C 13 64.192 0.3 . 1 . . . . . 29 VAL CA . 27612 1 274 . 1 1 30 30 VAL CB C 13 28.663 0.3 . 1 . . . . . 29 VAL CB . 27612 1 275 . 1 1 30 30 VAL CG1 C 13 16.934 0.3 . 1 . . . . . 29 VAL CG1 . 27612 1 276 . 1 1 30 30 VAL CG2 C 13 13.949 0.3 . 1 . . . . . 29 VAL CG2 . 27612 1 277 . 1 1 30 30 VAL N N 15 125.587 0.3 . 1 . . . . . 29 VAL N . 27612 1 278 . 1 1 31 31 GLY H H 1 7.637 0.020 . 1 . . . . . 30 GLY H . 27612 1 279 . 1 1 31 31 GLY HA2 H 1 3.808 0.020 . 2 . . . . . 30 GLY HA2 . 27612 1 280 . 1 1 31 31 GLY HA3 H 1 3.754 0.020 . 2 . . . . . 30 GLY HA3 . 27612 1 281 . 1 1 31 31 GLY CA C 13 44.205 0.3 . 1 . . . . . 30 GLY CA . 27612 1 282 . 1 1 31 31 GLY N N 15 121.946 0.3 . 1 . . . . . 30 GLY N . 27612 1 283 . 1 1 32 32 ASP H H 1 8.285 0.020 . 1 . . . . . 31 ASP H . 27612 1 284 . 1 1 32 32 ASP HA H 1 4.965 0.020 . 1 . . . . . 31 ASP HA . 27612 1 285 . 1 1 32 32 ASP HB2 H 1 2.425 0.020 . 1 . . . . . 31 ASP HB2 . 27612 1 286 . 1 1 32 32 ASP HB3 H 1 2.425 0.020 . 1 . . . . . 31 ASP HB3 . 27612 1 287 . 1 1 32 32 ASP CA C 13 54.520 0.3 . 1 . . . . . 31 ASP CA . 27612 1 288 . 1 1 32 32 ASP CB C 13 41.685 0.3 . 1 . . . . . 31 ASP CB . 27612 1 289 . 1 1 32 32 ASP N N 15 121.424 0.3 . 1 . . . . . 31 ASP N . 27612 1 290 . 1 1 33 33 GLY H H 1 7.481 0.020 . 1 . . . . . 32 GLY H . 27612 1 291 . 1 1 33 33 GLY HA2 H 1 4.573 0.020 . 1 . . . . . 32 GLY HA2 . 27612 1 292 . 1 1 33 33 GLY HA3 H 1 4.573 0.020 . 1 . . . . . 32 GLY HA3 . 27612 1 293 . 1 1 33 33 GLY CA C 13 44.043 0.3 . 1 . . . . . 32 GLY CA . 27612 1 294 . 1 1 33 33 GLY N N 15 109.816 0.3 . 1 . . . . . 32 GLY N . 27612 1 295 . 1 1 34 34 VAL H H 1 10.811 0.020 . 1 . . . . . 33 VAL H . 27612 1 296 . 1 1 34 34 VAL HA H 1 3.521 0.020 . 1 . . . . . 33 VAL HA . 27612 1 297 . 1 1 34 34 VAL HB H 1 1.604 0.020 . 1 . . . . . 33 VAL HB . 27612 1 298 . 1 1 34 34 VAL HG11 H 1 0.197 0.020 . 1 . . . . . 33 VAL HG1 . 27612 1 299 . 1 1 34 34 VAL HG12 H 1 0.197 0.020 . 1 . . . . . 33 VAL HG1 . 27612 1 300 . 1 1 34 34 VAL HG13 H 1 0.197 0.020 . 1 . . . . . 33 VAL HG1 . 27612 1 301 . 1 1 34 34 VAL CA C 13 65.686 0.3 . 1 . . . . . 33 VAL CA . 27612 1 302 . 1 1 34 34 VAL CB C 13 32.093 0.3 . 1 . . . . . 33 VAL CB . 27612 1 303 . 1 1 34 34 VAL CG1 C 13 22.333 0.3 . 1 . . . . . 33 VAL CG1 . 27612 1 304 . 1 1 34 34 VAL CG2 C 13 21.583 0.3 . 1 . . . . . 33 VAL CG2 . 27612 1 305 . 1 1 34 34 VAL N N 15 132.746 0.3 . 1 . . . . . 33 VAL N . 27612 1 306 . 1 1 35 35 CYS H H 1 8.738 0.020 . 1 . . . . . 34 CYS H . 27612 1 307 . 1 1 35 35 CYS HA H 1 4.420 0.020 . 1 . . . . . 34 CYS HA . 27612 1 308 . 1 1 35 35 CYS HB2 H 1 2.221 0.020 . 1 . . . . . 34 CYS HB2 . 27612 1 309 . 1 1 35 35 CYS CA C 13 56.633 0.3 . 1 . . . . . 34 CYS CA . 27612 1 310 . 1 1 35 35 CYS CB C 13 37.171 0.3 . 1 . . . . . 34 CYS CB . 27612 1 311 . 1 1 35 35 CYS N N 15 119.062 0.3 . 1 . . . . . 34 CYS N . 27612 1 312 . 1 1 36 36 ARG H H 1 7.814 0.020 . 1 . . . . . 35 ARG H . 27612 1 313 . 1 1 36 36 ARG HA H 1 3.717 0.020 . 1 . . . . . 35 ARG HA . 27612 1 314 . 1 1 36 36 ARG HB2 H 1 2.377 0.020 . 2 . . . . . 35 ARG HB2 . 27612 1 315 . 1 1 36 36 ARG HB3 H 1 1.950 0.020 . 2 . . . . . 35 ARG HB3 . 27612 1 316 . 1 1 36 36 ARG HG2 H 1 1.664 0.020 . 1 . . . . . 35 ARG HG2 . 27612 1 317 . 1 1 36 36 ARG HG3 H 1 1.664 0.020 . 1 . . . . . 35 ARG HG3 . 27612 1 318 . 1 1 36 36 ARG HD2 H 1 3.038 0.020 . 1 . . . . . 35 ARG HD2 . 27612 1 319 . 1 1 36 36 ARG HD3 H 1 3.038 0.020 . 1 . . . . . 35 ARG HD3 . 27612 1 320 . 1 1 36 36 ARG CA C 13 59.398 0.3 . 1 . . . . . 35 ARG CA . 27612 1 321 . 1 1 36 36 ARG CB C 13 29.274 0.3 . 1 . . . . . 35 ARG CB . 27612 1 322 . 1 1 36 36 ARG CG C 13 26.319 0.3 . 1 . . . . . 35 ARG CG . 27612 1 323 . 1 1 36 36 ARG CD C 13 43.025 0.3 . 1 . . . . . 35 ARG CD . 27612 1 324 . 1 1 36 36 ARG N N 15 124.166 0.3 . 1 . . . . . 35 ARG N . 27612 1 325 . 1 1 37 37 ALA H H 1 7.217 0.020 . 1 . . . . . 36 ALA H . 27612 1 326 . 1 1 37 37 ALA HA H 1 4.197 0.020 . 1 . . . . . 36 ALA HA . 27612 1 327 . 1 1 37 37 ALA HB1 H 1 1.771 0.020 . 1 . . . . . 36 ALA HB . 27612 1 328 . 1 1 37 37 ALA HB2 H 1 1.771 0.020 . 1 . . . . . 36 ALA HB . 27612 1 329 . 1 1 37 37 ALA HB3 H 1 1.771 0.020 . 1 . . . . . 36 ALA HB . 27612 1 330 . 1 1 37 37 ALA CA C 13 54.520 0.3 . 1 . . . . . 36 ALA CA . 27612 1 331 . 1 1 37 37 ALA CB C 13 19.959 0.3 . 1 . . . . . 36 ALA CB . 27612 1 332 . 1 1 37 37 ALA N N 15 122.399 0.3 . 1 . . . . . 36 ALA N . 27612 1 333 . 1 1 38 38 VAL HA H 1 3.969 0.020 . 1 . . . . . 37 VAL HA . 27612 1 334 . 1 1 38 38 VAL HB H 1 2.242 0.020 . 1 . . . . . 37 VAL HB . 27612 1 335 . 1 1 38 38 VAL HG11 H 1 0.908 0.020 . 1 . . . . . 37 VAL HG1 . 27612 1 336 . 1 1 38 38 VAL HG12 H 1 0.908 0.020 . 1 . . . . . 37 VAL HG1 . 27612 1 337 . 1 1 38 38 VAL HG13 H 1 0.908 0.020 . 1 . . . . . 37 VAL HG1 . 27612 1 338 . 1 1 38 38 VAL HG21 H 1 1.061 0.020 . 1 . . . . . 37 VAL HG2 . 27612 1 339 . 1 1 38 38 VAL HG22 H 1 1.061 0.020 . 1 . . . . . 37 VAL HG2 . 27612 1 340 . 1 1 38 38 VAL HG23 H 1 1.061 0.020 . 1 . . . . . 37 VAL HG2 . 27612 1 341 . 1 1 38 38 VAL CA C 13 66.122 0.3 . 1 . . . . . 37 VAL CA . 27612 1 342 . 1 1 38 38 VAL CB C 13 31.732 0.3 . 1 . . . . . 37 VAL CB . 27612 1 343 . 1 1 38 38 VAL CG1 C 13 23.212 0.3 . 1 . . . . . 37 VAL CG1 . 27612 1 344 . 1 1 38 38 VAL CG2 C 13 21.636 0.3 . 1 . . . . . 37 VAL CG2 . 27612 1 345 . 1 1 39 39 ALA H H 1 8.668 0.020 . 1 . . . . . 38 ALA H . 27612 1 346 . 1 1 39 39 ALA HA H 1 4.023 0.020 . 1 . . . . . 38 ALA HA . 27612 1 347 . 1 1 39 39 ALA HB1 H 1 1.058 0.020 . 1 . . . . . 38 ALA HB . 27612 1 348 . 1 1 39 39 ALA HB2 H 1 1.058 0.020 . 1 . . . . . 38 ALA HB . 27612 1 349 . 1 1 39 39 ALA HB3 H 1 1.058 0.020 . 1 . . . . . 38 ALA HB . 27612 1 350 . 1 1 39 39 ALA CA C 13 54.707 0.3 . 1 . . . . . 38 ALA CA . 27612 1 351 . 1 1 39 39 ALA CB C 13 18.598 0.3 . 1 . . . . . 38 ALA CB . 27612 1 352 . 1 1 39 39 ALA N N 15 121.400 0.3 . 1 . . . . . 38 ALA N . 27612 1 353 . 1 1 40 40 ARG H H 1 7.323 0.020 . 1 . . . . . 39 ARG H . 27612 1 354 . 1 1 40 40 ARG HA H 1 3.982 0.020 . 1 . . . . . 39 ARG HA . 27612 1 355 . 1 1 40 40 ARG HB2 H 1 1.904 0.020 . 1 . . . . . 39 ARG HB2 . 27612 1 356 . 1 1 40 40 ARG HB3 H 1 1.904 0.020 . 1 . . . . . 39 ARG HB3 . 27612 1 357 . 1 1 40 40 ARG HG2 H 1 1.701 0.020 . 2 . . . . . 39 ARG HG2 . 27612 1 358 . 1 1 40 40 ARG HG3 H 1 1.540 0.020 . 2 . . . . . 39 ARG HG3 . 27612 1 359 . 1 1 40 40 ARG HD2 H 1 3.178 0.020 . 1 . . . . . 39 ARG HD2 . 27612 1 360 . 1 1 40 40 ARG HD3 H 1 3.178 0.020 . 1 . . . . . 39 ARG HD3 . 27612 1 361 . 1 1 40 40 ARG CA C 13 58.393 0.3 . 1 . . . . . 39 ARG CA . 27612 1 362 . 1 1 40 40 ARG CB C 13 29.920 0.3 . 1 . . . . . 39 ARG CB . 27612 1 363 . 1 1 40 40 ARG CG C 13 27.202 0.3 . 1 . . . . . 39 ARG CG . 27612 1 364 . 1 1 40 40 ARG CD C 13 43.459 0.3 . 1 . . . . . 39 ARG CD . 27612 1 365 . 1 1 40 40 ARG N N 15 116.459 0.3 . 1 . . . . . 39 ARG N . 27612 1 366 . 1 1 41 41 LYS H H 1 7.037 0.020 . 1 . . . . . 40 LYS H . 27612 1 367 . 1 1 41 41 LYS HA H 1 3.961 0.020 . 1 . . . . . 40 LYS HA . 27612 1 368 . 1 1 41 41 LYS HB2 H 1 1.105 0.020 . 2 . . . . . 40 LYS HB2 . 27612 1 369 . 1 1 41 41 LYS HB3 H 1 0.921 0.020 . 2 . . . . . 40 LYS HB3 . 27612 1 370 . 1 1 41 41 LYS HG2 H 1 -0.041 0.020 . 2 . . . . . 40 LYS HG2 . 27612 1 371 . 1 1 41 41 LYS HG3 H 1 -0.107 0.020 . 2 . . . . . 40 LYS HG3 . 27612 1 372 . 1 1 41 41 LYS HD2 H 1 0.921 0.020 . 1 . . . . . 40 LYS HD2 . 27612 1 373 . 1 1 41 41 LYS HD3 H 1 0.921 0.020 . 1 . . . . . 40 LYS HD3 . 27612 1 374 . 1 1 41 41 LYS HE2 H 1 2.471 0.020 . 2 . . . . . 40 LYS HE2 . 27612 1 375 . 1 1 41 41 LYS HE3 H 1 2.596 0.020 . 2 . . . . . 40 LYS HE3 . 27612 1 376 . 1 1 41 41 LYS CA C 13 56.768 0.3 . 1 . . . . . 40 LYS CA . 27612 1 377 . 1 1 41 41 LYS CB C 13 33.020 0.3 . 1 . . . . . 40 LYS CB . 27612 1 378 . 1 1 41 41 LYS CG C 13 22.826 0.3 . 1 . . . . . 40 LYS CG . 27612 1 379 . 1 1 41 41 LYS CD C 13 27.828 0.3 . 1 . . . . . 40 LYS CD . 27612 1 380 . 1 1 41 41 LYS CE C 13 41.949 0.3 . 1 . . . . . 40 LYS CE . 27612 1 381 . 1 1 41 41 LYS N N 15 119.444 0.3 . 1 . . . . . 40 LYS N . 27612 1 382 . 1 1 42 42 TRP H H 1 8.773 0.020 . 1 . . . . . 41 TRP H . 27612 1 383 . 1 1 42 42 TRP HA H 1 5.145 0.020 . 1 . . . . . 41 TRP HA . 27612 1 384 . 1 1 42 42 TRP HB2 H 1 3.208 0.020 . 1 . . . . . 41 TRP HB2 . 27612 1 385 . 1 1 42 42 TRP HB3 H 1 3.208 0.020 . 1 . . . . . 41 TRP HB3 . 27612 1 386 . 1 1 42 42 TRP CA C 13 56.462 0.3 . 1 . . . . . 41 TRP CA . 27612 1 387 . 1 1 42 42 TRP CB C 13 42.306 0.3 . 1 . . . . . 41 TRP CB . 27612 1 388 . 1 1 42 42 TRP N N 15 118.546 0.3 . 1 . . . . . 41 TRP N . 27612 1 389 . 1 1 43 43 PRO HA H 1 4.599 0.020 . 1 . . . . . 42 PRO HA . 27612 1 390 . 1 1 43 43 PRO HB2 H 1 2.007 0.020 . 2 . . . . . 42 PRO HB2 . 27612 1 391 . 1 1 43 43 PRO HB3 H 1 2.526 0.020 . 2 . . . . . 42 PRO HB3 . 27612 1 392 . 1 1 43 43 PRO HG2 H 1 2.101 0.020 . 1 . . . . . 42 PRO HG2 . 27612 1 393 . 1 1 43 43 PRO HG3 H 1 2.101 0.020 . 1 . . . . . 42 PRO HG3 . 27612 1 394 . 1 1 43 43 PRO HD2 H 1 3.696 0.020 . 2 . . . . . 42 PRO HD2 . 27612 1 395 . 1 1 43 43 PRO HD3 H 1 3.238 0.020 . 2 . . . . . 42 PRO HD3 . 27612 1 396 . 1 1 43 43 PRO CA C 13 65.563 0.3 . 1 . . . . . 42 PRO CA . 27612 1 397 . 1 1 43 43 PRO CB C 13 31.179 0.3 . 1 . . . . . 42 PRO CB . 27612 1 398 . 1 1 43 43 PRO CG C 13 27.410 0.3 . 1 . . . . . 42 PRO CG . 27612 1 399 . 1 1 43 43 PRO CD C 13 49.861 0.3 . 1 . . . . . 42 PRO CD . 27612 1 400 . 1 1 44 44 GLN H H 1 9.261 0.020 . 1 . . . . . 43 GLN H . 27612 1 401 . 1 1 44 44 GLN HA H 1 4.365 0.020 . 1 . . . . . 43 GLN HA . 27612 1 402 . 1 1 44 44 GLN HB2 H 1 2.270 0.020 . 2 . . . . . 43 GLN HB2 . 27612 1 403 . 1 1 44 44 GLN HB3 H 1 2.164 0.020 . 2 . . . . . 43 GLN HB3 . 27612 1 404 . 1 1 44 44 GLN HG2 H 1 2.592 0.020 . 2 . . . . . 43 GLN HG2 . 27612 1 405 . 1 1 44 44 GLN HG3 H 1 2.452 0.020 . 2 . . . . . 43 GLN HG3 . 27612 1 406 . 1 1 44 44 GLN CA C 13 57.209 0.3 . 1 . . . . . 43 GLN CA . 27612 1 407 . 1 1 44 44 GLN CB C 13 27.283 0.3 . 1 . . . . . 43 GLN CB . 27612 1 408 . 1 1 44 44 GLN CG C 13 33.728 0.3 . 1 . . . . . 43 GLN CG . 27612 1 409 . 1 1 44 44 GLN N N 15 117.517 0.3 . 1 . . . . . 43 GLN N . 27612 1 410 . 1 1 45 45 ALA H H 1 8.469 0.020 . 1 . . . . . 44 ALA H . 27612 1 411 . 1 1 45 45 ALA HA H 1 3.960 0.020 . 1 . . . . . 44 ALA HA . 27612 1 412 . 1 1 45 45 ALA HB1 H 1 1.340 0.020 . 1 . . . . . 44 ALA HB . 27612 1 413 . 1 1 45 45 ALA HB2 H 1 1.340 0.020 . 1 . . . . . 44 ALA HB . 27612 1 414 . 1 1 45 45 ALA HB3 H 1 1.340 0.020 . 1 . . . . . 44 ALA HB . 27612 1 415 . 1 1 45 45 ALA CA C 13 53.609 0.3 . 1 . . . . . 44 ALA CA . 27612 1 416 . 1 1 45 45 ALA CB C 13 18.691 0.3 . 1 . . . . . 44 ALA CB . 27612 1 417 . 1 1 45 45 ALA N N 15 122.857 0.3 . 1 . . . . . 44 ALA N . 27612 1 418 . 1 1 46 46 PHE HA H 1 4.003 0.020 . 1 . . . . . 45 PHE HA . 27612 1 419 . 1 1 46 46 PHE HB2 H 1 3.313 0.020 . 2 . . . . . 45 PHE HB2 . 27612 1 420 . 1 1 46 46 PHE HB3 H 1 2.804 0.020 . 2 . . . . . 45 PHE HB3 . 27612 1 421 . 1 1 46 46 PHE CA C 13 58.559 0.3 . 1 . . . . . 45 PHE CA . 27612 1 422 . 1 1 46 46 PHE CB C 13 37.737 0.3 . 1 . . . . . 45 PHE CB . 27612 1 423 . 1 1 47 47 ARG H H 1 6.917 0.020 . 1 . . . . . 46 ARG H . 27612 1 424 . 1 1 47 47 ARG HA H 1 4.178 0.020 . 1 . . . . . 46 ARG HA . 27612 1 425 . 1 1 47 47 ARG HB2 H 1 1.777 0.020 . 1 . . . . . 46 ARG HB2 . 27612 1 426 . 1 1 47 47 ARG HB3 H 1 1.777 0.020 . 1 . . . . . 46 ARG HB3 . 27612 1 427 . 1 1 47 47 ARG HG2 H 1 1.629 0.020 . 2 . . . . . 46 ARG HG2 . 27612 1 428 . 1 1 47 47 ARG HG3 H 1 1.717 0.020 . 2 . . . . . 46 ARG HG3 . 27612 1 429 . 1 1 47 47 ARG HD2 H 1 2.888 0.020 . 2 . . . . . 46 ARG HD2 . 27612 1 430 . 1 1 47 47 ARG HD3 H 1 3.270 0.020 . 2 . . . . . 46 ARG HD3 . 27612 1 431 . 1 1 47 47 ARG CA C 13 57.359 0.3 . 1 . . . . . 46 ARG CA . 27612 1 432 . 1 1 47 47 ARG CB C 13 30.092 0.3 . 1 . . . . . 46 ARG CB . 27612 1 433 . 1 1 47 47 ARG CG C 13 27.027 0.3 . 1 . . . . . 46 ARG CG . 27612 1 434 . 1 1 47 47 ARG CD C 13 43.348 0.3 . 1 . . . . . 46 ARG CD . 27612 1 435 . 1 1 47 47 ARG N N 15 122.935 0.3 . 1 . . . . . 46 ARG N . 27612 1 436 . 1 1 48 48 ASN HA H 1 4.536 0.020 . 1 . . . . . 47 ASN HA . 27612 1 437 . 1 1 48 48 ASN HB2 H 1 2.874 0.020 . 2 . . . . . 47 ASN HB2 . 27612 1 438 . 1 1 48 48 ASN HB3 H 1 2.675 0.020 . 2 . . . . . 47 ASN HB3 . 27612 1 439 . 1 1 48 48 ASN CA C 13 53.633 0.3 . 1 . . . . . 47 ASN CA . 27612 1 440 . 1 1 48 48 ASN CB C 13 37.501 0.3 . 1 . . . . . 47 ASN CB . 27612 1 441 . 1 1 49 49 ALA H H 1 7.685 0.020 . 1 . . . . . 48 ALA H . 27612 1 442 . 1 1 49 49 ALA HA H 1 3.768 0.020 . 1 . . . . . 48 ALA HA . 27612 1 443 . 1 1 49 49 ALA HB1 H 1 0.514 0.020 . 1 . . . . . 48 ALA HB . 27612 1 444 . 1 1 49 49 ALA HB2 H 1 0.514 0.020 . 1 . . . . . 48 ALA HB . 27612 1 445 . 1 1 49 49 ALA HB3 H 1 0.514 0.020 . 1 . . . . . 48 ALA HB . 27612 1 446 . 1 1 49 49 ALA CA C 13 52.671 0.3 . 1 . . . . . 48 ALA CA . 27612 1 447 . 1 1 49 49 ALA CB C 13 18.700 0.3 . 1 . . . . . 48 ALA CB . 27612 1 448 . 1 1 49 49 ALA N N 15 121.262 0.3 . 1 . . . . . 48 ALA N . 27612 1 449 . 1 1 50 50 ALA H H 1 7.593 0.020 . 1 . . . . . 49 ALA H . 27612 1 450 . 1 1 50 50 ALA HA H 1 3.421 0.020 . 1 . . . . . 49 ALA HA . 27612 1 451 . 1 1 50 50 ALA HB1 H 1 1.184 0.020 . 1 . . . . . 49 ALA HB . 27612 1 452 . 1 1 50 50 ALA HB2 H 1 1.184 0.020 . 1 . . . . . 49 ALA HB . 27612 1 453 . 1 1 50 50 ALA HB3 H 1 1.184 0.020 . 1 . . . . . 49 ALA HB . 27612 1 454 . 1 1 50 50 ALA CA C 13 54.532 0.3 . 1 . . . . . 49 ALA CA . 27612 1 455 . 1 1 50 50 ALA CB C 13 18.581 0.3 . 1 . . . . . 49 ALA CB . 27612 1 456 . 1 1 50 50 ALA N N 15 121.736 0.3 . 1 . . . . . 49 ALA N . 27612 1 457 . 1 1 51 51 THR H H 1 7.177 0.020 . 1 . . . . . 50 THR H . 27612 1 458 . 1 1 51 51 THR HA H 1 4.771 0.020 . 1 . . . . . 50 THR HA . 27612 1 459 . 1 1 51 51 THR HB H 1 3.804 0.020 . 1 . . . . . 50 THR HB . 27612 1 460 . 1 1 51 51 THR HG21 H 1 0.875 0.020 . 1 . . . . . 50 THR HG2 . 27612 1 461 . 1 1 51 51 THR HG22 H 1 0.875 0.020 . 1 . . . . . 50 THR HG2 . 27612 1 462 . 1 1 51 51 THR HG23 H 1 0.875 0.020 . 1 . . . . . 50 THR HG2 . 27612 1 463 . 1 1 51 51 THR CA C 13 59.711 0.3 . 1 . . . . . 50 THR CA . 27612 1 464 . 1 1 51 51 THR CB C 13 70.796 0.3 . 1 . . . . . 50 THR CB . 27612 1 465 . 1 1 51 51 THR CG2 C 13 18.753 0.3 . 1 . . . . . 50 THR CG2 . 27612 1 466 . 1 1 51 51 THR N N 15 119.475 0.3 . 1 . . . . . 50 THR N . 27612 1 467 . 1 1 52 52 PRO HA H 1 4.434 0.020 . 1 . . . . . 51 PRO HA . 27612 1 468 . 1 1 52 52 PRO HB2 H 1 2.306 0.020 . 2 . . . . . 51 PRO HB2 . 27612 1 469 . 1 1 52 52 PRO HB3 H 1 1.709 0.020 . 2 . . . . . 51 PRO HB3 . 27612 1 470 . 1 1 52 52 PRO HG2 H 1 1.977 0.020 . 2 . . . . . 51 PRO HG2 . 27612 1 471 . 1 1 52 52 PRO HG3 H 1 1.786 0.020 . 2 . . . . . 51 PRO HG3 . 27612 1 472 . 1 1 52 52 PRO HD2 H 1 3.817 0.020 . 2 . . . . . 51 PRO HD2 . 27612 1 473 . 1 1 52 52 PRO HD3 H 1 3.581 0.020 . 2 . . . . . 51 PRO HD3 . 27612 1 474 . 1 1 52 52 PRO CA C 13 63.004 0.3 . 1 . . . . . 51 PRO CA . 27612 1 475 . 1 1 52 52 PRO CB C 13 32.667 0.3 . 1 . . . . . 51 PRO CB . 27612 1 476 . 1 1 52 52 PRO CG C 13 27.394 0.3 . 1 . . . . . 51 PRO CG . 27612 1 477 . 1 1 52 52 PRO CD C 13 52.137 0.3 . 1 . . . . . 51 PRO CD . 27612 1 478 . 1 1 53 53 VAL H H 1 8.241 0.020 . 1 . . . . . 52 VAL H . 27612 1 479 . 1 1 53 53 VAL HB H 1 1.768 0.020 . 1 . . . . . 52 VAL HB . 27612 1 480 . 1 1 53 53 VAL HG11 H 1 0.654 0.020 . 1 . . . . . 52 VAL HG1 . 27612 1 481 . 1 1 53 53 VAL HG12 H 1 0.654 0.020 . 1 . . . . . 52 VAL HG1 . 27612 1 482 . 1 1 53 53 VAL HG13 H 1 0.654 0.020 . 1 . . . . . 52 VAL HG1 . 27612 1 483 . 1 1 53 53 VAL HG21 H 1 0.904 0.020 . 1 . . . . . 52 VAL HG2 . 27612 1 484 . 1 1 53 53 VAL HG22 H 1 0.904 0.020 . 1 . . . . . 52 VAL HG2 . 27612 1 485 . 1 1 53 53 VAL HG23 H 1 0.904 0.020 . 1 . . . . . 52 VAL HG2 . 27612 1 486 . 1 1 53 53 VAL CA C 13 64.016 0.3 . 1 . . . . . 52 VAL CA . 27612 1 487 . 1 1 53 53 VAL CB C 13 31.216 0.3 . 1 . . . . . 52 VAL CB . 27612 1 488 . 1 1 53 53 VAL CG1 C 13 19.964 0.3 . 1 . . . . . 52 VAL CG1 . 27612 1 489 . 1 1 53 53 VAL CG2 C 13 21.638 0.3 . 1 . . . . . 52 VAL CG2 . 27612 1 490 . 1 1 53 53 VAL N N 15 121.164 0.3 . 1 . . . . . 52 VAL N . 27612 1 491 . 1 1 54 54 GLY H H 1 9.385 0.020 . 1 . . . . . 53 GLY H . 27612 1 492 . 1 1 54 54 GLY HA2 H 1 3.639 0.020 . 2 . . . . . 53 GLY HA2 . 27612 1 493 . 1 1 54 54 GLY HA3 H 1 4.132 0.020 . 2 . . . . . 53 GLY HA3 . 27612 1 494 . 1 1 54 54 GLY CA C 13 44.737 0.3 . 1 . . . . . 53 GLY CA . 27612 1 495 . 1 1 54 54 GLY N N 15 114.813 0.3 . 1 . . . . . 53 GLY N . 27612 1 496 . 1 1 55 55 THR H H 1 7.433 0.020 . 1 . . . . . 54 THR H . 27612 1 497 . 1 1 55 55 THR HA H 1 4.474 0.020 . 1 . . . . . 54 THR HA . 27612 1 498 . 1 1 55 55 THR HB H 1 4.251 0.020 . 1 . . . . . 54 THR HB . 27612 1 499 . 1 1 55 55 THR HG21 H 1 0.878 0.020 . 1 . . . . . 54 THR HG2 . 27612 1 500 . 1 1 55 55 THR HG22 H 1 0.878 0.020 . 1 . . . . . 54 THR HG2 . 27612 1 501 . 1 1 55 55 THR HG23 H 1 0.878 0.020 . 1 . . . . . 54 THR HG2 . 27612 1 502 . 1 1 55 55 THR CA C 13 59.767 0.3 . 1 . . . . . 54 THR CA . 27612 1 503 . 1 1 55 55 THR CB C 13 72.358 0.3 . 1 . . . . . 54 THR CB . 27612 1 504 . 1 1 55 55 THR CG2 C 13 19.168 0.3 . 1 . . . . . 54 THR CG2 . 27612 1 505 . 1 1 55 55 THR N N 15 108.665 0.3 . 1 . . . . . 54 THR N . 27612 1 506 . 1 1 56 56 ALA H H 1 7.703 0.020 . 1 . . . . . 55 ALA H . 27612 1 507 . 1 1 56 56 ALA HA H 1 5.823 0.020 . 1 . . . . . 55 ALA HA . 27612 1 508 . 1 1 56 56 ALA HB1 H 1 0.961 0.020 . 1 . . . . . 55 ALA HB . 27612 1 509 . 1 1 56 56 ALA HB2 H 1 0.961 0.020 . 1 . . . . . 55 ALA HB . 27612 1 510 . 1 1 56 56 ALA HB3 H 1 0.961 0.020 . 1 . . . . . 55 ALA HB . 27612 1 511 . 1 1 56 56 ALA CA C 13 49.896 0.3 . 1 . . . . . 55 ALA CA . 27612 1 512 . 1 1 56 56 ALA CB C 13 22.612 0.3 . 1 . . . . . 55 ALA CB . 27612 1 513 . 1 1 56 56 ALA N N 15 116.515 0.3 . 1 . . . . . 55 ALA N . 27612 1 514 . 1 1 57 57 LYS H H 1 8.800 0.020 . 1 . . . . . 56 LYS H . 27612 1 515 . 1 1 57 57 LYS HA H 1 4.576 0.020 . 1 . . . . . 56 LYS HA . 27612 1 516 . 1 1 57 57 LYS HB2 H 1 1.691 0.020 . 2 . . . . . 56 LYS HB2 . 27612 1 517 . 1 1 57 57 LYS HB3 H 1 1.577 0.020 . 2 . . . . . 56 LYS HB3 . 27612 1 518 . 1 1 57 57 LYS HG2 H 1 1.303 0.020 . 2 . . . . . 56 LYS HG2 . 27612 1 519 . 1 1 57 57 LYS HG3 H 1 1.263 0.020 . 2 . . . . . 56 LYS HG3 . 27612 1 520 . 1 1 57 57 LYS HD2 H 1 1.598 0.020 . 2 . . . . . 56 LYS HD2 . 27612 1 521 . 1 1 57 57 LYS HD3 H 1 1.528 0.020 . 2 . . . . . 56 LYS HD3 . 27612 1 522 . 1 1 57 57 LYS HE2 H 1 2.963 0.020 . 1 . . . . . 56 LYS HE2 . 27612 1 523 . 1 1 57 57 LYS HE3 H 1 2.963 0.020 . 1 . . . . . 56 LYS HE3 . 27612 1 524 . 1 1 57 57 LYS CA C 13 55.305 0.3 . 1 . . . . . 56 LYS CA . 27612 1 525 . 1 1 57 57 LYS CB C 13 36.141 0.3 . 1 . . . . . 56 LYS CB . 27612 1 526 . 1 1 57 57 LYS CG C 13 25.192 0.3 . 1 . . . . . 56 LYS CG . 27612 1 527 . 1 1 57 57 LYS CD C 13 29.387 0.3 . 1 . . . . . 56 LYS CD . 27612 1 528 . 1 1 57 57 LYS CE C 13 42.269 0.3 . 1 . . . . . 56 LYS CE . 27612 1 529 . 1 1 57 57 LYS N N 15 122.699 0.3 . 1 . . . . . 56 LYS N . 27612 1 530 . 1 1 58 58 THR H H 1 8.665 0.020 . 1 . . . . . 57 THR H . 27612 1 531 . 1 1 58 58 THR HA H 1 4.996 0.020 . 1 . . . . . 57 THR HA . 27612 1 532 . 1 1 58 58 THR HB H 1 3.696 0.020 . 1 . . . . . 57 THR HB . 27612 1 533 . 1 1 58 58 THR HG21 H 1 0.935 0.020 . 1 . . . . . 57 THR HG2 . 27612 1 534 . 1 1 58 58 THR HG22 H 1 0.935 0.020 . 1 . . . . . 57 THR HG2 . 27612 1 535 . 1 1 58 58 THR HG23 H 1 0.935 0.020 . 1 . . . . . 57 THR HG2 . 27612 1 536 . 1 1 58 58 THR CA C 13 63.323 0.3 . 1 . . . . . 57 THR CA . 27612 1 537 . 1 1 58 58 THR CB C 13 68.079 0.3 . 1 . . . . . 57 THR CB . 27612 1 538 . 1 1 58 58 THR CG2 C 13 23.446 0.3 . 1 . . . . . 57 THR CG2 . 27612 1 539 . 1 1 58 58 THR N N 15 127.259 0.3 . 1 . . . . . 57 THR N . 27612 1 540 . 1 1 59 59 VAL H H 1 9.574 0.020 . 1 . . . . . 58 VAL H . 27612 1 541 . 1 1 59 59 VAL HA H 1 4.309 0.020 . 1 . . . . . 58 VAL HA . 27612 1 542 . 1 1 59 59 VAL HB H 1 1.980 0.020 . 1 . . . . . 58 VAL HB . 27612 1 543 . 1 1 59 59 VAL HG11 H 1 0.940 0.020 . 1 . . . . . 58 VAL HG1 . 27612 1 544 . 1 1 59 59 VAL HG12 H 1 0.940 0.020 . 1 . . . . . 58 VAL HG1 . 27612 1 545 . 1 1 59 59 VAL HG13 H 1 0.940 0.020 . 1 . . . . . 58 VAL HG1 . 27612 1 546 . 1 1 59 59 VAL HG21 H 1 0.950 0.020 . 1 . . . . . 58 VAL HG2 . 27612 1 547 . 1 1 59 59 VAL HG22 H 1 0.950 0.020 . 1 . . . . . 58 VAL HG2 . 27612 1 548 . 1 1 59 59 VAL HG23 H 1 0.950 0.020 . 1 . . . . . 58 VAL HG2 . 27612 1 549 . 1 1 59 59 VAL CA C 13 60.808 0.3 . 1 . . . . . 58 VAL CA . 27612 1 550 . 1 1 59 59 VAL CB C 13 35.224 0.3 . 1 . . . . . 58 VAL CB . 27612 1 551 . 1 1 59 59 VAL CG1 C 13 20.052 0.3 . 1 . . . . . 58 VAL CG1 . 27612 1 552 . 1 1 59 59 VAL CG2 C 13 21.222 0.3 . 1 . . . . . 58 VAL CG2 . 27612 1 553 . 1 1 59 59 VAL N N 15 128.948 0.3 . 1 . . . . . 58 VAL N . 27612 1 554 . 1 1 60 60 LYS H H 1 8.788 0.020 . 1 . . . . . 59 LYS H . 27612 1 555 . 1 1 60 60 LYS HA H 1 4.288 0.020 . 1 . . . . . 59 LYS HA . 27612 1 556 . 1 1 60 60 LYS HB2 H 1 1.427 0.020 . 2 . . . . . 59 LYS HB2 . 27612 1 557 . 1 1 60 60 LYS HB3 H 1 1.764 0.020 . 2 . . . . . 59 LYS HB3 . 27612 1 558 . 1 1 60 60 LYS HG2 H 1 0.995 0.020 . 2 . . . . . 59 LYS HG2 . 27612 1 559 . 1 1 60 60 LYS HG3 H 1 0.226 0.020 . 2 . . . . . 59 LYS HG3 . 27612 1 560 . 1 1 60 60 LYS HD2 H 1 1.317 0.020 . 2 . . . . . 59 LYS HD2 . 27612 1 561 . 1 1 60 60 LYS HD3 H 1 1.252 0.020 . 2 . . . . . 59 LYS HD3 . 27612 1 562 . 1 1 60 60 LYS HE2 H 1 2.633 0.020 . 2 . . . . . 59 LYS HE2 . 27612 1 563 . 1 1 60 60 LYS HE3 H 1 2.412 0.020 . 2 . . . . . 59 LYS HE3 . 27612 1 564 . 1 1 60 60 LYS CA C 13 56.735 0.3 . 1 . . . . . 59 LYS CA . 27612 1 565 . 1 1 60 60 LYS CB C 13 33.655 0.3 . 1 . . . . . 59 LYS CB . 27612 1 566 . 1 1 60 60 LYS CG C 13 25.082 0.3 . 1 . . . . . 59 LYS CG . 27612 1 567 . 1 1 60 60 LYS CD C 13 29.339 0.3 . 1 . . . . . 59 LYS CD . 27612 1 568 . 1 1 60 60 LYS CE C 13 41.803 0.3 . 1 . . . . . 59 LYS CE . 27612 1 569 . 1 1 60 60 LYS N N 15 129.769 0.3 . 1 . . . . . 59 LYS N . 27612 1 570 . 1 1 61 61 CYS H H 1 8.790 0.020 . 1 . . . . . 60 CYS H . 27612 1 571 . 1 1 61 61 CYS HA H 1 4.504 0.020 . 1 . . . . . 60 CYS HA . 27612 1 572 . 1 1 61 61 CYS HB2 H 1 2.894 0.020 . 2 . . . . . 60 CYS HB2 . 27612 1 573 . 1 1 61 61 CYS HB3 H 1 2.520 0.020 . 2 . . . . . 60 CYS HB3 . 27612 1 574 . 1 1 61 61 CYS CA C 13 57.951 0.3 . 1 . . . . . 60 CYS CA . 27612 1 575 . 1 1 61 61 CYS CB C 13 28.882 0.3 . 1 . . . . . 60 CYS CB . 27612 1 576 . 1 1 61 61 CYS N N 15 129.338 0.3 . 1 . . . . . 60 CYS N . 27612 1 577 . 1 1 62 62 ASP H H 1 8.800 0.020 . 1 . . . . . 61 ASP H . 27612 1 578 . 1 1 62 62 ASP HA H 1 4.055 0.020 . 1 . . . . . 61 ASP HA . 27612 1 579 . 1 1 62 62 ASP HB2 H 1 3.123 0.020 . 2 . . . . . 61 ASP HB2 . 27612 1 580 . 1 1 62 62 ASP HB3 H 1 2.905 0.020 . 2 . . . . . 61 ASP HB3 . 27612 1 581 . 1 1 62 62 ASP CA C 13 57.059 0.3 . 1 . . . . . 61 ASP CA . 27612 1 582 . 1 1 62 62 ASP CB C 13 39.268 0.3 . 1 . . . . . 61 ASP CB . 27612 1 583 . 1 1 62 62 ASP N N 15 124.510 0.3 . 1 . . . . . 61 ASP N . 27612 1 584 . 1 1 63 63 GLU H H 1 8.433 0.020 . 1 . . . . . 62 GLU H . 27612 1 585 . 1 1 63 63 GLU HA H 1 4.258 0.020 . 1 . . . . . 62 GLU HA . 27612 1 586 . 1 1 63 63 GLU HB2 H 1 2.296 0.020 . 2 . . . . . 62 GLU HB2 . 27612 1 587 . 1 1 63 63 GLU HB3 H 1 1.832 0.020 . 2 . . . . . 62 GLU HB3 . 27612 1 588 . 1 1 63 63 GLU HG2 H 1 2.304 0.020 . 2 . . . . . 62 GLU HG2 . 27612 1 589 . 1 1 63 63 GLU HG3 H 1 2.232 0.020 . 2 . . . . . 62 GLU HG3 . 27612 1 590 . 1 1 63 63 GLU CA C 13 56.685 0.3 . 1 . . . . . 62 GLU CA . 27612 1 591 . 1 1 63 63 GLU CB C 13 29.386 0.3 . 1 . . . . . 62 GLU CB . 27612 1 592 . 1 1 63 63 GLU CG C 13 36.357 0.3 . 1 . . . . . 62 GLU CG . 27612 1 593 . 1 1 63 63 GLU N N 15 121.433 0.3 . 1 . . . . . 62 GLU N . 27612 1 594 . 1 1 64 64 THR H H 1 7.833 0.020 . 1 . . . . . 63 THR H . 27612 1 595 . 1 1 64 64 THR HA H 1 4.401 0.020 . 1 . . . . . 63 THR HA . 27612 1 596 . 1 1 64 64 THR HB H 1 3.446 0.020 . 1 . . . . . 63 THR HB . 27612 1 597 . 1 1 64 64 THR HG21 H 1 0.684 0.020 . 1 . . . . . 63 THR HG2 . 27612 1 598 . 1 1 64 64 THR HG22 H 1 0.684 0.020 . 1 . . . . . 63 THR HG2 . 27612 1 599 . 1 1 64 64 THR HG23 H 1 0.684 0.020 . 1 . . . . . 63 THR HG2 . 27612 1 600 . 1 1 64 64 THR CA C 13 62.685 0.3 . 1 . . . . . 63 THR CA . 27612 1 601 . 1 1 64 64 THR CB C 13 71.340 0.3 . 1 . . . . . 63 THR CB . 27612 1 602 . 1 1 64 64 THR CG2 C 13 20.365 0.3 . 1 . . . . . 63 THR CG2 . 27612 1 603 . 1 1 64 64 THR N N 15 119.551 0.3 . 1 . . . . . 63 THR N . 27612 1 604 . 1 1 65 65 TYR H H 1 8.244 0.020 . 1 . . . . . 64 TYR H . 27612 1 605 . 1 1 65 65 TYR HA H 1 4.425 0.020 . 1 . . . . . 64 TYR HA . 27612 1 606 . 1 1 65 65 TYR HB2 H 1 2.440 0.020 . 2 . . . . . 64 TYR HB2 . 27612 1 607 . 1 1 65 65 TYR HB3 H 1 2.680 0.020 . 2 . . . . . 64 TYR HB3 . 27612 1 608 . 1 1 65 65 TYR CA C 13 58.559 0.3 . 1 . . . . . 64 TYR CA . 27612 1 609 . 1 1 65 65 TYR CB C 13 39.200 0.3 . 1 . . . . . 64 TYR CB . 27612 1 610 . 1 1 65 65 TYR N N 15 125.127 0.3 . 1 . . . . . 64 TYR N . 27612 1 611 . 1 1 66 66 ILE H H 1 8.621 0.020 . 1 . . . . . 65 ILE H . 27612 1 612 . 1 1 66 66 ILE HA H 1 4.632 0.020 . 1 . . . . . 65 ILE HA . 27612 1 613 . 1 1 66 66 ILE HB H 1 1.720 0.020 . 1 . . . . . 65 ILE HB . 27612 1 614 . 1 1 66 66 ILE HG12 H 1 0.934 0.020 . 2 . . . . . 65 ILE HG12 . 27612 1 615 . 1 1 66 66 ILE HG13 H 1 0.636 0.020 . 2 . . . . . 65 ILE HG13 . 27612 1 616 . 1 1 66 66 ILE HG21 H 1 -0.189 0.020 . 1 . . . . . 65 ILE HG2 . 27612 1 617 . 1 1 66 66 ILE HG22 H 1 -0.189 0.020 . 1 . . . . . 65 ILE HG2 . 27612 1 618 . 1 1 66 66 ILE HG23 H 1 -0.189 0.020 . 1 . . . . . 65 ILE HG2 . 27612 1 619 . 1 1 66 66 ILE HD11 H 1 -0.486 0.020 . 1 . . . . . 65 ILE HD1 . 27612 1 620 . 1 1 66 66 ILE HD12 H 1 -0.486 0.020 . 1 . . . . . 65 ILE HD1 . 27612 1 621 . 1 1 66 66 ILE HD13 H 1 -0.486 0.020 . 1 . . . . . 65 ILE HD1 . 27612 1 622 . 1 1 66 66 ILE CA C 13 57.564 0.3 . 1 . . . . . 65 ILE CA . 27612 1 623 . 1 1 66 66 ILE CB C 13 35.598 0.3 . 1 . . . . . 65 ILE CB . 27612 1 624 . 1 1 66 66 ILE CG1 C 13 27.808 0.3 . 1 . . . . . 65 ILE CG1 . 27612 1 625 . 1 1 66 66 ILE CG2 C 13 16.262 0.3 . 1 . . . . . 65 ILE CG2 . 27612 1 626 . 1 1 66 66 ILE CD1 C 13 9.740 0.3 . 1 . . . . . 65 ILE CD1 . 27612 1 627 . 1 1 66 66 ILE N N 15 126.416 0.3 . 1 . . . . . 65 ILE N . 27612 1 628 . 1 1 67 67 ILE H H 1 8.616 0.020 . 1 . . . . . 66 ILE H . 27612 1 629 . 1 1 67 67 ILE HA H 1 4.274 0.020 . 1 . . . . . 66 ILE HA . 27612 1 630 . 1 1 67 67 ILE HB H 1 1.620 0.020 . 1 . . . . . 66 ILE HB . 27612 1 631 . 1 1 67 67 ILE HG12 H 1 1.298 0.020 . 2 . . . . . 66 ILE HG12 . 27612 1 632 . 1 1 67 67 ILE HG13 H 1 1.172 0.020 . 2 . . . . . 66 ILE HG13 . 27612 1 633 . 1 1 67 67 ILE HG21 H 1 0.655 0.020 . 1 . . . . . 66 ILE HG2 . 27612 1 634 . 1 1 67 67 ILE HG22 H 1 0.655 0.020 . 1 . . . . . 66 ILE HG2 . 27612 1 635 . 1 1 67 67 ILE HG23 H 1 0.655 0.020 . 1 . . . . . 66 ILE HG2 . 27612 1 636 . 1 1 67 67 ILE HD11 H 1 0.496 0.020 . 1 . . . . . 66 ILE HD1 . 27612 1 637 . 1 1 67 67 ILE HD12 H 1 0.496 0.020 . 1 . . . . . 66 ILE HD1 . 27612 1 638 . 1 1 67 67 ILE HD13 H 1 0.496 0.020 . 1 . . . . . 66 ILE HD1 . 27612 1 639 . 1 1 67 67 ILE CA C 13 59.711 0.3 . 1 . . . . . 66 ILE CA . 27612 1 640 . 1 1 67 67 ILE CB C 13 39.133 0.3 . 1 . . . . . 66 ILE CB . 27612 1 641 . 1 1 67 67 ILE CG1 C 13 25.340 0.3 . 1 . . . . . 66 ILE CG1 . 27612 1 642 . 1 1 67 67 ILE CG2 C 13 17.584 0.3 . 1 . . . . . 66 ILE CG2 . 27612 1 643 . 1 1 67 67 ILE CD1 C 13 13.530 0.3 . 1 . . . . . 66 ILE CD1 . 27612 1 644 . 1 1 67 67 ILE N N 15 127.763 0.3 . 1 . . . . . 66 ILE N . 27612 1 645 . 1 1 68 68 HIS H H 1 9.045 0.020 . 1 . . . . . 67 HIS H . 27612 1 646 . 1 1 68 68 HIS HA H 1 4.402 0.020 . 1 . . . . . 67 HIS HA . 27612 1 647 . 1 1 68 68 HIS HB2 H 1 3.176 0.020 . 2 . . . . . 67 HIS HB2 . 27612 1 648 . 1 1 68 68 HIS HB3 H 1 2.631 0.020 . 2 . . . . . 67 HIS HB3 . 27612 1 649 . 1 1 68 68 HIS CA C 13 56.441 0.3 . 1 . . . . . 67 HIS CA . 27612 1 650 . 1 1 68 68 HIS CB C 13 30.257 0.3 . 1 . . . . . 67 HIS CB . 27612 1 651 . 1 1 68 68 HIS N N 15 129.194 0.3 . 1 . . . . . 67 HIS N . 27612 1 652 . 1 1 69 69 ALA HA H 1 5.046 0.020 . 1 . . . . . 68 ALA HA . 27612 1 653 . 1 1 69 69 ALA HB1 H 1 1.011 0.020 . 1 . . . . . 68 ALA HB . 27612 1 654 . 1 1 69 69 ALA HB2 H 1 1.011 0.020 . 1 . . . . . 68 ALA HB . 27612 1 655 . 1 1 69 69 ALA HB3 H 1 1.011 0.020 . 1 . . . . . 68 ALA HB . 27612 1 656 . 1 1 69 69 ALA CA C 13 50.187 0.3 . 1 . . . . . 68 ALA CA . 27612 1 657 . 1 1 69 69 ALA CB C 13 22.390 0.3 . 1 . . . . . 68 ALA CB . 27612 1 658 . 1 1 70 70 VAL H H 1 7.615 0.020 . 1 . . . . . 69 VAL H . 27612 1 659 . 1 1 70 70 VAL HA H 1 4.391 0.020 . 1 . . . . . 69 VAL HA . 27612 1 660 . 1 1 70 70 VAL HB H 1 2.122 0.020 . 1 . . . . . 69 VAL HB . 27612 1 661 . 1 1 70 70 VAL HG11 H 1 0.556 0.020 . 1 . . . . . 69 VAL HG1 . 27612 1 662 . 1 1 70 70 VAL HG12 H 1 0.556 0.020 . 1 . . . . . 69 VAL HG1 . 27612 1 663 . 1 1 70 70 VAL HG13 H 1 0.556 0.020 . 1 . . . . . 69 VAL HG1 . 27612 1 664 . 1 1 70 70 VAL HG21 H 1 1.105 0.020 . 1 . . . . . 69 VAL HG2 . 27612 1 665 . 1 1 70 70 VAL HG22 H 1 1.105 0.020 . 1 . . . . . 69 VAL HG2 . 27612 1 666 . 1 1 70 70 VAL HG23 H 1 1.105 0.020 . 1 . . . . . 69 VAL HG2 . 27612 1 667 . 1 1 70 70 VAL CA C 13 60.321 0.3 . 1 . . . . . 69 VAL CA . 27612 1 668 . 1 1 70 70 VAL CB C 13 30.541 0.3 . 1 . . . . . 69 VAL CB . 27612 1 669 . 1 1 70 70 VAL CG1 C 13 22.070 0.3 . 1 . . . . . 69 VAL CG1 . 27612 1 670 . 1 1 70 70 VAL CG2 C 13 23.028 0.3 . 1 . . . . . 69 VAL CG2 . 27612 1 671 . 1 1 70 70 VAL N N 15 123.673 0.3 . 1 . . . . . 69 VAL N . 27612 1 672 . 1 1 71 71 GLY H H 1 8.772 0.020 . 1 . . . . . 70 GLY H . 27612 1 673 . 1 1 71 71 GLY HA2 H 1 3.983 0.020 . 2 . . . . . 70 GLY HA2 . 27612 1 674 . 1 1 71 71 GLY HA3 H 1 3.647 0.020 . 2 . . . . . 70 GLY HA3 . 27612 1 675 . 1 1 71 71 GLY CA C 13 43.237 0.3 . 1 . . . . . 70 GLY CA . 27612 1 676 . 1 1 71 71 GLY N N 15 115.356 0.3 . 1 . . . . . 70 GLY N . 27612 1 677 . 1 1 72 72 PRO HA H 1 3.950 0.020 . 1 . . . . . 71 PRO HA . 27612 1 678 . 1 1 72 72 PRO HB2 H 1 1.854 0.020 . 1 . . . . . 71 PRO HB2 . 27612 1 679 . 1 1 72 72 PRO HG2 H 1 2.485 0.020 . 2 . . . . . 71 PRO HG2 . 27612 1 680 . 1 1 72 72 PRO HG3 H 1 1.526 0.020 . 2 . . . . . 71 PRO HG3 . 27612 1 681 . 1 1 72 72 PRO HD2 H 1 3.800 0.020 . 2 . . . . . 71 PRO HD2 . 27612 1 682 . 1 1 72 72 PRO HD3 H 1 2.706 0.020 . 2 . . . . . 71 PRO HD3 . 27612 1 683 . 1 1 72 72 PRO CA C 13 61.538 0.3 . 1 . . . . . 71 PRO CA . 27612 1 684 . 1 1 72 72 PRO CB C 13 32.236 0.3 . 1 . . . . . 71 PRO CB . 27612 1 685 . 1 1 72 72 PRO CG C 13 26.293 0.3 . 1 . . . . . 71 PRO CG . 27612 1 686 . 1 1 72 72 PRO CD C 13 48.175 0.3 . 1 . . . . . 71 PRO CD . 27612 1 687 . 1 1 73 73 ASN H H 1 7.884 0.020 . 1 . . . . . 72 ASN H . 27612 1 688 . 1 1 73 73 ASN HA H 1 4.147 0.020 . 1 . . . . . 72 ASN HA . 27612 1 689 . 1 1 73 73 ASN HB2 H 1 2.666 0.020 . 2 . . . . . 72 ASN HB2 . 27612 1 690 . 1 1 73 73 ASN HB3 H 1 0.900 0.020 . 2 . . . . . 72 ASN HB3 . 27612 1 691 . 1 1 73 73 ASN CA C 13 50.681 0.3 . 1 . . . . . 72 ASN CA . 27612 1 692 . 1 1 73 73 ASN CB C 13 36.631 0.3 . 1 . . . . . 72 ASN CB . 27612 1 693 . 1 1 73 73 ASN N N 15 116.597 0.3 . 1 . . . . . 72 ASN N . 27612 1 694 . 1 1 74 74 PHE H H 1 8.915 0.020 . 1 . . . . . 73 PHE H . 27612 1 695 . 1 1 74 74 PHE HA H 1 4.179 0.020 . 1 . . . . . 73 PHE HA . 27612 1 696 . 1 1 74 74 PHE HB2 H 1 3.205 0.020 . 2 . . . . . 73 PHE HB2 . 27612 1 697 . 1 1 74 74 PHE HB3 H 1 3.001 0.020 . 2 . . . . . 73 PHE HB3 . 27612 1 698 . 1 1 74 74 PHE CA C 13 62.245 0.3 . 1 . . . . . 73 PHE CA . 27612 1 699 . 1 1 74 74 PHE CB C 13 38.074 0.3 . 1 . . . . . 73 PHE CB . 27612 1 700 . 1 1 74 74 PHE N N 15 123.594 0.3 . 1 . . . . . 73 PHE N . 27612 1 701 . 1 1 75 75 ASN H H 1 8.080 0.020 . 1 . . . . . 74 ASN H . 27612 1 702 . 1 1 75 75 ASN HA H 1 4.469 0.020 . 1 . . . . . 74 ASN HA . 27612 1 703 . 1 1 75 75 ASN HB2 H 1 2.647 0.020 . 2 . . . . . 74 ASN HB2 . 27612 1 704 . 1 1 75 75 ASN HB3 H 1 2.638 0.020 . 2 . . . . . 74 ASN HB3 . 27612 1 705 . 1 1 75 75 ASN CA C 13 56.313 0.3 . 1 . . . . . 74 ASN CA . 27612 1 706 . 1 1 75 75 ASN CB C 13 39.242 0.3 . 1 . . . . . 74 ASN CB . 27612 1 707 . 1 1 75 75 ASN N N 15 116.076 0.3 . 1 . . . . . 74 ASN N . 27612 1 708 . 1 1 76 76 ASN H H 1 7.782 0.020 . 1 . . . . . 75 ASN H . 27612 1 709 . 1 1 76 76 ASN HB2 H 1 2.809 0.020 . 2 . . . . . 75 ASN HB2 . 27612 1 710 . 1 1 76 76 ASN HB3 H 1 2.636 0.020 . 2 . . . . . 75 ASN HB3 . 27612 1 711 . 1 1 76 76 ASN CA C 13 52.423 0.3 . 1 . . . . . 75 ASN CA . 27612 1 712 . 1 1 76 76 ASN CB C 13 40.231 0.3 . 1 . . . . . 75 ASN CB . 27612 1 713 . 1 1 76 76 ASN N N 15 115.081 0.3 . 1 . . . . . 75 ASN N . 27612 1 714 . 1 1 77 77 THR H H 1 7.078 0.020 . 1 . . . . . 76 THR H . 27612 1 715 . 1 1 77 77 THR HA H 1 4.607 0.020 . 1 . . . . . 76 THR HA . 27612 1 716 . 1 1 77 77 THR HB H 1 3.586 0.020 . 1 . . . . . 76 THR HB . 27612 1 717 . 1 1 77 77 THR HG21 H 1 0.903 0.020 . 1 . . . . . 76 THR HG2 . 27612 1 718 . 1 1 77 77 THR HG22 H 1 0.903 0.020 . 1 . . . . . 76 THR HG2 . 27612 1 719 . 1 1 77 77 THR HG23 H 1 0.903 0.020 . 1 . . . . . 76 THR HG2 . 27612 1 720 . 1 1 77 77 THR CA C 13 60.485 0.3 . 1 . . . . . 76 THR CA . 27612 1 721 . 1 1 77 77 THR CB C 13 70.435 0.3 . 1 . . . . . 76 THR CB . 27612 1 722 . 1 1 77 77 THR CG2 C 13 17.964 0.3 . 1 . . . . . 76 THR CG2 . 27612 1 723 . 1 1 77 77 THR N N 15 115.495 0.3 . 1 . . . . . 76 THR N . 27612 1 724 . 1 1 78 78 SER H H 1 8.234 0.020 . 1 . . . . . 77 SER H . 27612 1 725 . 1 1 78 78 SER HA H 1 4.635 0.020 . 1 . . . . . 77 SER HA . 27612 1 726 . 1 1 78 78 SER HB2 H 1 4.377 0.020 . 2 . . . . . 77 SER HB2 . 27612 1 727 . 1 1 78 78 SER HB3 H 1 4.102 0.020 . 2 . . . . . 77 SER HB3 . 27612 1 728 . 1 1 78 78 SER CA C 13 57.658 0.3 . 1 . . . . . 77 SER CA . 27612 1 729 . 1 1 78 78 SER CB C 13 65.143 0.3 . 1 . . . . . 77 SER CB . 27612 1 730 . 1 1 78 78 SER N N 15 119.465 0.3 . 1 . . . . . 77 SER N . 27612 1 731 . 1 1 79 79 GLU H H 1 8.940 0.020 . 1 . . . . . 78 GLU H . 27612 1 732 . 1 1 79 79 GLU HA H 1 4.285 0.020 . 1 . . . . . 78 GLU HA . 27612 1 733 . 1 1 79 79 GLU HB2 H 1 2.011 0.020 . 2 . . . . . 78 GLU HB2 . 27612 1 734 . 1 1 79 79 GLU HB3 H 1 2.216 0.020 . 2 . . . . . 78 GLU HB3 . 27612 1 735 . 1 1 79 79 GLU HG2 H 1 2.579 0.020 . 2 . . . . . 78 GLU HG2 . 27612 1 736 . 1 1 79 79 GLU HG3 H 1 2.506 0.020 . 2 . . . . . 78 GLU HG3 . 27612 1 737 . 1 1 79 79 GLU CA C 13 59.746 0.3 . 1 . . . . . 78 GLU CA . 27612 1 738 . 1 1 79 79 GLU CB C 13 28.680 0.3 . 1 . . . . . 78 GLU CB . 27612 1 739 . 1 1 79 79 GLU CG C 13 35.415 0.3 . 1 . . . . . 78 GLU CG . 27612 1 740 . 1 1 79 79 GLU N N 15 121.381 0.3 . 1 . . . . . 78 GLU N . 27612 1 741 . 1 1 80 80 ALA H H 1 8.767 0.020 . 1 . . . . . 79 ALA H . 27612 1 742 . 1 1 80 80 ALA HA H 1 4.265 0.020 . 1 . . . . . 79 ALA HA . 27612 1 743 . 1 1 80 80 ALA HB1 H 1 1.462 0.020 . 1 . . . . . 79 ALA HB . 27612 1 744 . 1 1 80 80 ALA HB2 H 1 1.462 0.020 . 1 . . . . . 79 ALA HB . 27612 1 745 . 1 1 80 80 ALA HB3 H 1 1.462 0.020 . 1 . . . . . 79 ALA HB . 27612 1 746 . 1 1 80 80 ALA CA C 13 55.431 0.3 . 1 . . . . . 79 ALA CA . 27612 1 747 . 1 1 80 80 ALA CB C 13 18.452 0.3 . 1 . . . . . 79 ALA CB . 27612 1 748 . 1 1 80 80 ALA N N 15 122.627 0.3 . 1 . . . . . 79 ALA N . 27612 1 749 . 1 1 81 81 GLU H H 1 7.740 0.020 . 1 . . . . . 80 GLU H . 27612 1 750 . 1 1 81 81 GLU HA H 1 3.835 0.020 . 1 . . . . . 80 GLU HA . 27612 1 751 . 1 1 81 81 GLU HB2 H 1 1.994 0.020 . 2 . . . . . 80 GLU HB2 . 27612 1 752 . 1 1 81 81 GLU HB3 H 1 1.955 0.020 . 2 . . . . . 80 GLU HB3 . 27612 1 753 . 1 1 81 81 GLU HG2 H 1 2.202 0.020 . 2 . . . . . 80 GLU HG2 . 27612 1 754 . 1 1 81 81 GLU HG3 H 1 2.126 0.020 . 2 . . . . . 80 GLU HG3 . 27612 1 755 . 1 1 81 81 GLU CA C 13 58.939 0.3 . 1 . . . . . 80 GLU CA . 27612 1 756 . 1 1 81 81 GLU CB C 13 29.794 0.3 . 1 . . . . . 80 GLU CB . 27612 1 757 . 1 1 81 81 GLU CG C 13 37.087 0.3 . 1 . . . . . 80 GLU CG . 27612 1 758 . 1 1 81 81 GLU N N 15 119.628 0.3 . 1 . . . . . 80 GLU N . 27612 1 759 . 1 1 82 82 GLY H H 1 8.710 0.020 . 1 . . . . . 81 GLY H . 27612 1 760 . 1 1 82 82 GLY HA2 H 1 3.447 0.020 . 2 . . . . . 81 GLY HA2 . 27612 1 761 . 1 1 82 82 GLY HA3 H 1 3.403 0.020 . 2 . . . . . 81 GLY HA3 . 27612 1 762 . 1 1 82 82 GLY CA C 13 47.122 0.3 . 1 . . . . . 81 GLY CA . 27612 1 763 . 1 1 82 82 GLY N N 15 106.858 0.3 . 1 . . . . . 81 GLY N . 27612 1 764 . 1 1 83 83 ASP H H 1 8.360 0.020 . 1 . . . . . 82 ASP H . 27612 1 765 . 1 1 83 83 ASP HA H 1 4.501 0.020 . 1 . . . . . 82 ASP HA . 27612 1 766 . 1 1 83 83 ASP HB2 H 1 2.756 0.020 . 2 . . . . . 82 ASP HB2 . 27612 1 767 . 1 1 83 83 ASP HB3 H 1 2.879 0.020 . 2 . . . . . 82 ASP HB3 . 27612 1 768 . 1 1 83 83 ASP CA C 13 59.588 0.3 . 1 . . . . . 82 ASP CA . 27612 1 769 . 1 1 83 83 ASP CB C 13 42.709 0.3 . 1 . . . . . 82 ASP CB . 27612 1 770 . 1 1 83 83 ASP N N 15 122.555 0.3 . 1 . . . . . 82 ASP N . 27612 1 771 . 1 1 84 84 ARG H H 1 6.984 0.020 . 1 . . . . . 83 ARG H . 27612 1 772 . 1 1 84 84 ARG HA H 1 4.054 0.020 . 1 . . . . . 83 ARG HA . 27612 1 773 . 1 1 84 84 ARG HB2 H 1 2.099 0.020 . 1 . . . . . 83 ARG HB2 . 27612 1 774 . 1 1 84 84 ARG HB3 H 1 2.099 0.020 . 1 . . . . . 83 ARG HB3 . 27612 1 775 . 1 1 84 84 ARG HG2 H 1 1.913 0.020 . 1 . . . . . 83 ARG HG2 . 27612 1 776 . 1 1 84 84 ARG HG3 H 1 1.913 0.020 . 1 . . . . . 83 ARG HG3 . 27612 1 777 . 1 1 84 84 ARG HD2 H 1 3.190 0.020 . 1 . . . . . 83 ARG HD2 . 27612 1 778 . 1 1 84 84 ARG HD3 H 1 3.190 0.020 . 1 . . . . . 83 ARG HD3 . 27612 1 779 . 1 1 84 84 ARG CA C 13 59.133 0.3 . 1 . . . . . 83 ARG CA . 27612 1 780 . 1 1 84 84 ARG CB C 13 29.765 0.3 . 1 . . . . . 83 ARG CB . 27612 1 781 . 1 1 84 84 ARG CG C 13 26.614 0.3 . 1 . . . . . 83 ARG CG . 27612 1 782 . 1 1 84 84 ARG CD C 13 43.265 0.3 . 1 . . . . . 83 ARG CD . 27612 1 783 . 1 1 84 84 ARG N N 15 116.888 0.3 . 1 . . . . . 83 ARG N . 27612 1 784 . 1 1 85 85 ASP H H 1 8.087 0.020 . 1 . . . . . 84 ASP H . 27612 1 785 . 1 1 85 85 ASP HA H 1 4.521 0.020 . 1 . . . . . 84 ASP HA . 27612 1 786 . 1 1 85 85 ASP HB2 H 1 2.422 0.020 . 2 . . . . . 84 ASP HB2 . 27612 1 787 . 1 1 85 85 ASP HB3 H 1 2.174 0.020 . 2 . . . . . 84 ASP HB3 . 27612 1 788 . 1 1 85 85 ASP CA C 13 57.334 0.3 . 1 . . . . . 84 ASP CA . 27612 1 789 . 1 1 85 85 ASP CB C 13 40.752 0.3 . 1 . . . . . 84 ASP CB . 27612 1 790 . 1 1 85 85 ASP N N 15 122.311 0.3 . 1 . . . . . 84 ASP N . 27612 1 791 . 1 1 86 86 LEU H H 1 8.571 0.020 . 1 . . . . . 85 LEU H . 27612 1 792 . 1 1 86 86 LEU HA H 1 3.981 0.020 . 1 . . . . . 85 LEU HA . 27612 1 793 . 1 1 86 86 LEU HB2 H 1 2.165 0.020 . 2 . . . . . 85 LEU HB2 . 27612 1 794 . 1 1 86 86 LEU HB3 H 1 1.536 0.020 . 2 . . . . . 85 LEU HB3 . 27612 1 795 . 1 1 86 86 LEU HG H 1 1.271 0.020 . 1 . . . . . 85 LEU HG . 27612 1 796 . 1 1 86 86 LEU HD11 H 1 1.192 0.020 . 1 . . . . . 85 LEU HD1 . 27612 1 797 . 1 1 86 86 LEU HD12 H 1 1.192 0.020 . 1 . . . . . 85 LEU HD1 . 27612 1 798 . 1 1 86 86 LEU HD13 H 1 1.192 0.020 . 1 . . . . . 85 LEU HD1 . 27612 1 799 . 1 1 86 86 LEU HD21 H 1 0.821 0.020 . 1 . . . . . 85 LEU HD2 . 27612 1 800 . 1 1 86 86 LEU HD22 H 1 0.821 0.020 . 1 . . . . . 85 LEU HD2 . 27612 1 801 . 1 1 86 86 LEU HD23 H 1 0.821 0.020 . 1 . . . . . 85 LEU HD2 . 27612 1 802 . 1 1 86 86 LEU CA C 13 57.498 0.3 . 1 . . . . . 85 LEU CA . 27612 1 803 . 1 1 86 86 LEU CB C 13 42.335 0.3 . 1 . . . . . 85 LEU CB . 27612 1 804 . 1 1 86 86 LEU CG C 13 26.662 0.3 . 1 . . . . . 85 LEU CG . 27612 1 805 . 1 1 86 86 LEU CD1 C 13 24.004 0.3 . 1 . . . . . 85 LEU CD1 . 27612 1 806 . 1 1 86 86 LEU CD2 C 13 23.747 0.3 . 1 . . . . . 85 LEU CD2 . 27612 1 807 . 1 1 86 86 LEU N N 15 124.064 0.3 . 1 . . . . . 85 LEU N . 27612 1 808 . 1 1 87 87 ALA H H 1 7.267 0.020 . 1 . . . . . 86 ALA H . 27612 1 809 . 1 1 87 87 ALA HA H 1 3.849 0.020 . 1 . . . . . 86 ALA HA . 27612 1 810 . 1 1 87 87 ALA HB1 H 1 1.122 0.020 . 1 . . . . . 86 ALA HB . 27612 1 811 . 1 1 87 87 ALA HB2 H 1 1.122 0.020 . 1 . . . . . 86 ALA HB . 27612 1 812 . 1 1 87 87 ALA HB3 H 1 1.122 0.020 . 1 . . . . . 86 ALA HB . 27612 1 813 . 1 1 87 87 ALA CA C 13 55.598 0.3 . 1 . . . . . 86 ALA CA . 27612 1 814 . 1 1 87 87 ALA CB C 13 17.905 0.3 . 1 . . . . . 86 ALA CB . 27612 1 815 . 1 1 87 87 ALA N N 15 121.189 0.3 . 1 . . . . . 86 ALA N . 27612 1 816 . 1 1 88 88 ALA H H 1 7.860 0.020 . 1 . . . . . 87 ALA H . 27612 1 817 . 1 1 88 88 ALA HA H 1 3.945 0.020 . 1 . . . . . 87 ALA HA . 27612 1 818 . 1 1 88 88 ALA HB1 H 1 1.627 0.020 . 1 . . . . . 87 ALA HB . 27612 1 819 . 1 1 88 88 ALA HB2 H 1 1.627 0.020 . 1 . . . . . 87 ALA HB . 27612 1 820 . 1 1 88 88 ALA HB3 H 1 1.627 0.020 . 1 . . . . . 87 ALA HB . 27612 1 821 . 1 1 88 88 ALA CA C 13 55.410 0.3 . 1 . . . . . 87 ALA CA . 27612 1 822 . 1 1 88 88 ALA CB C 13 18.173 0.3 . 1 . . . . . 87 ALA CB . 27612 1 823 . 1 1 88 88 ALA N N 15 120.317 0.3 . 1 . . . . . 87 ALA N . 27612 1 824 . 1 1 89 89 ALA H H 1 8.323 0.020 . 1 . . . . . 88 ALA H . 27612 1 825 . 1 1 89 89 ALA HA H 1 3.566 0.020 . 1 . . . . . 88 ALA HA . 27612 1 826 . 1 1 89 89 ALA HB1 H 1 1.131 0.020 . 1 . . . . . 88 ALA HB . 27612 1 827 . 1 1 89 89 ALA HB2 H 1 1.131 0.020 . 1 . . . . . 88 ALA HB . 27612 1 828 . 1 1 89 89 ALA HB3 H 1 1.131 0.020 . 1 . . . . . 88 ALA HB . 27612 1 829 . 1 1 89 89 ALA CA C 13 54.984 0.3 . 1 . . . . . 88 ALA CA . 27612 1 830 . 1 1 89 89 ALA CB C 13 17.164 0.3 . 1 . . . . . 88 ALA CB . 27612 1 831 . 1 1 89 89 ALA N N 15 123.130 0.3 . 1 . . . . . 88 ALA N . 27612 1 832 . 1 1 90 90 TYR H H 1 7.367 0.020 . 1 . . . . . 89 TYR H . 27612 1 833 . 1 1 90 90 TYR HA H 1 4.169 0.020 . 1 . . . . . 89 TYR HA . 27612 1 834 . 1 1 90 90 TYR HB2 H 1 2.983 0.020 . 2 . . . . . 89 TYR HB2 . 27612 1 835 . 1 1 90 90 TYR HB3 H 1 2.614 0.020 . 2 . . . . . 89 TYR HB3 . 27612 1 836 . 1 1 90 90 TYR CA C 13 62.995 0.3 . 1 . . . . . 89 TYR CA . 27612 1 837 . 1 1 90 90 TYR CB C 13 38.851 0.3 . 1 . . . . . 89 TYR CB . 27612 1 838 . 1 1 90 90 TYR N N 15 113.275 0.3 . 1 . . . . . 89 TYR N . 27612 1 839 . 1 1 91 91 ARG H H 1 8.142 0.020 . 1 . . . . . 90 ARG H . 27612 1 840 . 1 1 91 91 ARG HA H 1 3.974 0.020 . 1 . . . . . 90 ARG HA . 27612 1 841 . 1 1 91 91 ARG HB2 H 1 2.091 0.020 . 2 . . . . . 90 ARG HB2 . 27612 1 842 . 1 1 91 91 ARG HB3 H 1 2.010 0.020 . 2 . . . . . 90 ARG HB3 . 27612 1 843 . 1 1 91 91 ARG HG2 H 1 1.864 0.020 . 2 . . . . . 90 ARG HG2 . 27612 1 844 . 1 1 91 91 ARG HG3 H 1 1.864 0.020 . 1 . . . . . 90 ARG HG3 . 27612 1 845 . 1 1 91 91 ARG HD2 H 1 3.180 0.020 . 1 . . . . . 90 ARG HD2 . 27612 1 846 . 1 1 91 91 ARG HD3 H 1 3.180 0.020 . 1 . . . . . 90 ARG HD3 . 27612 1 847 . 1 1 91 91 ARG CA C 13 60.686 0.3 . 1 . . . . . 90 ARG CA . 27612 1 848 . 1 1 91 91 ARG CB C 13 29.936 0.3 . 1 . . . . . 90 ARG CB . 27612 1 849 . 1 1 91 91 ARG CG C 13 27.279 0.3 . 1 . . . . . 90 ARG CG . 27612 1 850 . 1 1 91 91 ARG CD C 13 43.319 0.3 . 1 . . . . . 90 ARG CD . 27612 1 851 . 1 1 91 91 ARG N N 15 121.018 0.3 . 1 . . . . . 90 ARG N . 27612 1 852 . 1 1 92 92 ALA H H 1 8.496 0.020 . 1 . . . . . 91 ALA H . 27612 1 853 . 1 1 92 92 ALA HA H 1 4.249 0.020 . 1 . . . . . 91 ALA HA . 27612 1 854 . 1 1 92 92 ALA HB1 H 1 1.609 0.020 . 1 . . . . . 91 ALA HB . 27612 1 855 . 1 1 92 92 ALA HB2 H 1 1.609 0.020 . 1 . . . . . 91 ALA HB . 27612 1 856 . 1 1 92 92 ALA HB3 H 1 1.609 0.020 . 1 . . . . . 91 ALA HB . 27612 1 857 . 1 1 92 92 ALA CA C 13 54.713 0.3 . 1 . . . . . 91 ALA CA . 27612 1 858 . 1 1 92 92 ALA CB C 13 17.836 0.3 . 1 . . . . . 91 ALA CB . 27612 1 859 . 1 1 92 92 ALA N N 15 124.984 0.3 . 1 . . . . . 91 ALA N . 27612 1 860 . 1 1 93 93 VAL H H 1 7.675 0.020 . 1 . . . . . 92 VAL H . 27612 1 861 . 1 1 93 93 VAL HA H 1 3.186 0.020 . 1 . . . . . 92 VAL HA . 27612 1 862 . 1 1 93 93 VAL HB H 1 2.485 0.020 . 1 . . . . . 92 VAL HB . 27612 1 863 . 1 1 93 93 VAL HG11 H 1 0.984 0.020 . 1 . . . . . 92 VAL HG1 . 27612 1 864 . 1 1 93 93 VAL HG12 H 1 0.984 0.020 . 1 . . . . . 92 VAL HG1 . 27612 1 865 . 1 1 93 93 VAL HG13 H 1 0.984 0.020 . 1 . . . . . 92 VAL HG1 . 27612 1 866 . 1 1 93 93 VAL HG21 H 1 0.904 0.020 . 1 . . . . . 92 VAL HG2 . 27612 1 867 . 1 1 93 93 VAL HG22 H 1 0.904 0.020 . 1 . . . . . 92 VAL HG2 . 27612 1 868 . 1 1 93 93 VAL HG23 H 1 0.904 0.020 . 1 . . . . . 92 VAL HG2 . 27612 1 869 . 1 1 93 93 VAL CA C 13 67.163 0.3 . 1 . . . . . 92 VAL CA . 27612 1 870 . 1 1 93 93 VAL CB C 13 31.559 0.3 . 1 . . . . . 92 VAL CB . 27612 1 871 . 1 1 93 93 VAL CG1 C 13 24.194 0.3 . 1 . . . . . 92 VAL CG1 . 27612 1 872 . 1 1 93 93 VAL CG2 C 13 22.212 0.3 . 1 . . . . . 92 VAL CG2 . 27612 1 873 . 1 1 93 93 VAL N N 15 120.630 0.3 . 1 . . . . . 92 VAL N . 27612 1 874 . 1 1 94 94 ALA H H 1 8.087 0.020 . 1 . . . . . 93 ALA H . 27612 1 875 . 1 1 94 94 ALA HA H 1 3.703 0.020 . 1 . . . . . 93 ALA HA . 27612 1 876 . 1 1 94 94 ALA HB1 H 1 1.330 0.020 . 1 . . . . . 93 ALA HB . 27612 1 877 . 1 1 94 94 ALA HB2 H 1 1.330 0.020 . 1 . . . . . 93 ALA HB . 27612 1 878 . 1 1 94 94 ALA HB3 H 1 1.330 0.020 . 1 . . . . . 93 ALA HB . 27612 1 879 . 1 1 94 94 ALA CA C 13 55.449 0.3 . 1 . . . . . 93 ALA CA . 27612 1 880 . 1 1 94 94 ALA CB C 13 18.446 0.3 . 1 . . . . . 93 ALA CB . 27612 1 881 . 1 1 94 94 ALA N N 15 122.440 0.3 . 1 . . . . . 93 ALA N . 27612 1 882 . 1 1 95 95 ALA H H 1 7.980 0.020 . 1 . . . . . 94 ALA H . 27612 1 883 . 1 1 95 95 ALA HA H 1 4.148 0.020 . 1 . . . . . 94 ALA HA . 27612 1 884 . 1 1 95 95 ALA HB1 H 1 1.590 0.020 . 1 . . . . . 94 ALA HB . 27612 1 885 . 1 1 95 95 ALA HB2 H 1 1.590 0.020 . 1 . . . . . 94 ALA HB . 27612 1 886 . 1 1 95 95 ALA HB3 H 1 1.590 0.020 . 1 . . . . . 94 ALA HB . 27612 1 887 . 1 1 95 95 ALA CA C 13 55.091 0.3 . 1 . . . . . 94 ALA CA . 27612 1 888 . 1 1 95 95 ALA CB C 13 17.856 0.3 . 1 . . . . . 94 ALA CB . 27612 1 889 . 1 1 95 95 ALA N N 15 118.878 0.3 . 1 . . . . . 94 ALA N . 27612 1 890 . 1 1 96 96 GLU H H 1 7.510 0.020 . 1 . . . . . 95 GLU H . 27612 1 891 . 1 1 96 96 GLU HA H 1 4.114 0.020 . 1 . . . . . 95 GLU HA . 27612 1 892 . 1 1 96 96 GLU HB2 H 1 2.220 0.020 . 2 . . . . . 95 GLU HB2 . 27612 1 893 . 1 1 96 96 GLU HB3 H 1 1.860 0.020 . 2 . . . . . 95 GLU HB3 . 27612 1 894 . 1 1 96 96 GLU HG2 H 1 2.424 0.020 . 1 . . . . . 95 GLU HG2 . 27612 1 895 . 1 1 96 96 GLU HG3 H 1 2.424 0.020 . 1 . . . . . 95 GLU HG3 . 27612 1 896 . 1 1 96 96 GLU CA C 13 57.980 0.3 . 1 . . . . . 95 GLU CA . 27612 1 897 . 1 1 96 96 GLU CB C 13 30.192 0.3 . 1 . . . . . 95 GLU CB . 27612 1 898 . 1 1 96 96 GLU CG C 13 36.460 0.3 . 1 . . . . . 95 GLU CG . 27612 1 899 . 1 1 96 96 GLU N N 15 119.934 0.3 . 1 . . . . . 95 GLU N . 27612 1 900 . 1 1 97 97 ILE H H 1 7.960 0.020 . 1 . . . . . 96 ILE H . 27612 1 901 . 1 1 97 97 ILE HA H 1 3.366 0.020 . 1 . . . . . 96 ILE HA . 27612 1 902 . 1 1 97 97 ILE HB H 1 2.072 0.020 . 1 . . . . . 96 ILE HB . 27612 1 903 . 1 1 97 97 ILE HG12 H 1 1.351 0.020 . 2 . . . . . 96 ILE HG12 . 27612 1 904 . 1 1 97 97 ILE HG13 H 1 1.073 0.020 . 2 . . . . . 96 ILE HG13 . 27612 1 905 . 1 1 97 97 ILE HG21 H 1 0.850 0.020 . 1 . . . . . 96 ILE HG2 . 27612 1 906 . 1 1 97 97 ILE HG22 H 1 0.850 0.020 . 1 . . . . . 96 ILE HG2 . 27612 1 907 . 1 1 97 97 ILE HG23 H 1 0.850 0.020 . 1 . . . . . 96 ILE HG2 . 27612 1 908 . 1 1 97 97 ILE HD11 H 1 0.589 0.020 . 1 . . . . . 96 ILE HD1 . 27612 1 909 . 1 1 97 97 ILE HD12 H 1 0.589 0.020 . 1 . . . . . 96 ILE HD1 . 27612 1 910 . 1 1 97 97 ILE HD13 H 1 0.589 0.020 . 1 . . . . . 96 ILE HD1 . 27612 1 911 . 1 1 97 97 ILE CA C 13 64.043 0.3 . 1 . . . . . 96 ILE CA . 27612 1 912 . 1 1 97 97 ILE CB C 13 36.835 0.3 . 1 . . . . . 96 ILE CB . 27612 1 913 . 1 1 97 97 ILE CG1 C 13 28.817 0.3 . 1 . . . . . 96 ILE CG1 . 27612 1 914 . 1 1 97 97 ILE CG2 C 13 16.996 0.3 . 1 . . . . . 96 ILE CG2 . 27612 1 915 . 1 1 97 97 ILE CD1 C 13 14.052 0.3 . 1 . . . . . 96 ILE CD1 . 27612 1 916 . 1 1 97 97 ILE N N 15 119.949 0.3 . 1 . . . . . 96 ILE N . 27612 1 917 . 1 1 98 98 ASN H H 1 8.155 0.020 . 1 . . . . . 97 ASN H . 27612 1 918 . 1 1 98 98 ASN HA H 1 4.479 0.020 . 1 . . . . . 97 ASN HA . 27612 1 919 . 1 1 98 98 ASN HB2 H 1 2.813 0.020 . 2 . . . . . 97 ASN HB2 . 27612 1 920 . 1 1 98 98 ASN HB3 H 1 2.743 0.020 . 2 . . . . . 97 ASN HB3 . 27612 1 921 . 1 1 98 98 ASN CA C 13 55.328 0.3 . 1 . . . . . 97 ASN CA . 27612 1 922 . 1 1 98 98 ASN CB C 13 37.602 0.3 . 1 . . . . . 97 ASN CB . 27612 1 923 . 1 1 98 98 ASN N N 15 116.827 0.3 . 1 . . . . . 97 ASN N . 27612 1 924 . 1 1 99 99 ARG H H 1 8.304 0.020 . 1 . . . . . 98 ARG H . 27612 1 925 . 1 1 99 99 ARG HA H 1 4.063 0.020 . 1 . . . . . 98 ARG HA . 27612 1 926 . 1 1 99 99 ARG HB2 H 1 1.885 0.020 . 1 . . . . . 98 ARG HB2 . 27612 1 927 . 1 1 99 99 ARG HB3 H 1 1.885 0.020 . 1 . . . . . 98 ARG HB3 . 27612 1 928 . 1 1 99 99 ARG HG2 H 1 1.578 0.020 . 2 . . . . . 98 ARG HG2 . 27612 1 929 . 1 1 99 99 ARG HG3 H 1 1.475 0.020 . 2 . . . . . 98 ARG HG3 . 27612 1 930 . 1 1 99 99 ARG HD2 H 1 3.330 0.020 . 1 . . . . . 98 ARG HD2 . 27612 1 931 . 1 1 99 99 ARG HD3 H 1 3.330 0.020 . 1 . . . . . 98 ARG HD3 . 27612 1 932 . 1 1 99 99 ARG CA C 13 59.410 0.3 . 1 . . . . . 98 ARG CA . 27612 1 933 . 1 1 99 99 ARG CB C 13 30.826 0.3 . 1 . . . . . 98 ARG CB . 27612 1 934 . 1 1 99 99 ARG CG C 13 28.048 0.3 . 1 . . . . . 98 ARG CG . 27612 1 935 . 1 1 99 99 ARG CD C 13 43.603 0.3 . 1 . . . . . 98 ARG CD . 27612 1 936 . 1 1 99 99 ARG N N 15 122.958 0.3 . 1 . . . . . 98 ARG N . 27612 1 937 . 1 1 100 100 LEU H H 1 7.623 0.020 . 1 . . . . . 99 LEU H . 27612 1 938 . 1 1 100 100 LEU HA H 1 4.230 0.020 . 1 . . . . . 99 LEU HA . 27612 1 939 . 1 1 100 100 LEU HB2 H 1 1.425 0.020 . 2 . . . . . 99 LEU HB2 . 27612 1 940 . 1 1 100 100 LEU HB3 H 1 1.104 0.020 . 2 . . . . . 99 LEU HB3 . 27612 1 941 . 1 1 100 100 LEU HG H 1 1.349 0.020 . 1 . . . . . 99 LEU HG . 27612 1 942 . 1 1 100 100 LEU HD11 H 1 0.372 0.020 . 1 . . . . . 99 LEU HD1 . 27612 1 943 . 1 1 100 100 LEU HD12 H 1 0.372 0.020 . 1 . . . . . 99 LEU HD1 . 27612 1 944 . 1 1 100 100 LEU HD13 H 1 0.372 0.020 . 1 . . . . . 99 LEU HD1 . 27612 1 945 . 1 1 100 100 LEU HD21 H 1 0.747 0.020 . 1 . . . . . 99 LEU HD2 . 27612 1 946 . 1 1 100 100 LEU HD22 H 1 0.747 0.020 . 1 . . . . . 99 LEU HD2 . 27612 1 947 . 1 1 100 100 LEU HD23 H 1 0.747 0.020 . 1 . . . . . 99 LEU HD2 . 27612 1 948 . 1 1 100 100 LEU CA C 13 54.228 0.3 . 1 . . . . . 99 LEU CA . 27612 1 949 . 1 1 100 100 LEU CB C 13 42.469 0.3 . 1 . . . . . 99 LEU CB . 27612 1 950 . 1 1 100 100 LEU CG C 13 27.158 0.3 . 1 . . . . . 99 LEU CG . 27612 1 951 . 1 1 100 100 LEU CD1 C 13 25.665 0.3 . 1 . . . . . 99 LEU CD1 . 27612 1 952 . 1 1 100 100 LEU CD2 C 13 22.159 0.3 . 1 . . . . . 99 LEU CD2 . 27612 1 953 . 1 1 100 100 LEU N N 15 117.735 0.3 . 1 . . . . . 99 LEU N . 27612 1 954 . 1 1 101 101 SER H H 1 7.586 0.020 . 1 . . . . . 100 SER H . 27612 1 955 . 1 1 101 101 SER HA H 1 3.998 0.020 . 1 . . . . . 100 SER HA . 27612 1 956 . 1 1 101 101 SER HB2 H 1 4.033 0.020 . 2 . . . . . 100 SER HB2 . 27612 1 957 . 1 1 101 101 SER HB3 H 1 3.916 0.020 . 2 . . . . . 100 SER HB3 . 27612 1 958 . 1 1 101 101 SER CA C 13 58.408 0.3 . 1 . . . . . 100 SER CA . 27612 1 959 . 1 1 101 101 SER CB C 13 61.235 0.3 . 1 . . . . . 100 SER CB . 27612 1 960 . 1 1 101 101 SER N N 15 115.816 0.3 . 1 . . . . . 100 SER N . 27612 1 961 . 1 1 102 102 ILE H H 1 7.599 0.020 . 1 . . . . . 101 ILE H . 27612 1 962 . 1 1 102 102 ILE HA H 1 3.938 0.020 . 1 . . . . . 101 ILE HA . 27612 1 963 . 1 1 102 102 ILE HB H 1 1.511 0.020 . 1 . . . . . 101 ILE HB . 27612 1 964 . 1 1 102 102 ILE HG12 H 1 1.257 0.020 . 2 . . . . . 101 ILE HG12 . 27612 1 965 . 1 1 102 102 ILE HG13 H 1 0.781 0.020 . 2 . . . . . 101 ILE HG13 . 27612 1 966 . 1 1 102 102 ILE HG21 H 1 0.885 0.020 . 1 . . . . . 101 ILE HG2 . 27612 1 967 . 1 1 102 102 ILE HG22 H 1 0.885 0.020 . 1 . . . . . 101 ILE HG2 . 27612 1 968 . 1 1 102 102 ILE HG23 H 1 0.885 0.020 . 1 . . . . . 101 ILE HG2 . 27612 1 969 . 1 1 102 102 ILE HD11 H 1 0.287 0.020 . 1 . . . . . 101 ILE HD1 . 27612 1 970 . 1 1 102 102 ILE HD12 H 1 0.287 0.020 . 1 . . . . . 101 ILE HD1 . 27612 1 971 . 1 1 102 102 ILE HD13 H 1 0.287 0.020 . 1 . . . . . 101 ILE HD1 . 27612 1 972 . 1 1 102 102 ILE CA C 13 61.550 0.3 . 1 . . . . . 101 ILE CA . 27612 1 973 . 1 1 102 102 ILE CB C 13 38.986 0.3 . 1 . . . . . 101 ILE CB . 27612 1 974 . 1 1 102 102 ILE CG1 C 13 28.436 0.3 . 1 . . . . . 101 ILE CG1 . 27612 1 975 . 1 1 102 102 ILE CG2 C 13 19.611 0.3 . 1 . . . . . 101 ILE CG2 . 27612 1 976 . 1 1 102 102 ILE CD1 C 13 13.535 0.3 . 1 . . . . . 101 ILE CD1 . 27612 1 977 . 1 1 102 102 ILE N N 15 120.917 0.3 . 1 . . . . . 101 ILE N . 27612 1 978 . 1 1 103 103 SER H H 1 9.172 0.020 . 1 . . . . . 102 SER H . 27612 1 979 . 1 1 103 103 SER HA H 1 4.408 0.020 . 1 . . . . . 102 SER HA . 27612 1 980 . 1 1 103 103 SER HB2 H 1 4.068 0.020 . 2 . . . . . 102 SER HB2 . 27612 1 981 . 1 1 103 103 SER HB3 H 1 3.983 0.020 . 2 . . . . . 102 SER HB3 . 27612 1 982 . 1 1 103 103 SER CA C 13 60.627 0.3 . 1 . . . . . 102 SER CA . 27612 1 983 . 1 1 103 103 SER CB C 13 64.234 0.3 . 1 . . . . . 102 SER CB . 27612 1 984 . 1 1 103 103 SER N N 15 122.822 0.3 . 1 . . . . . 102 SER N . 27612 1 985 . 1 1 104 104 SER H H 1 7.433 0.020 . 1 . . . . . 103 SER H . 27612 1 986 . 1 1 104 104 SER HA H 1 5.696 0.020 . 1 . . . . . 103 SER HA . 27612 1 987 . 1 1 104 104 SER HB2 H 1 4.032 0.020 . 2 . . . . . 103 SER HB2 . 27612 1 988 . 1 1 104 104 SER HB3 H 1 3.878 0.020 . 2 . . . . . 103 SER HB3 . 27612 1 989 . 1 1 104 104 SER CA C 13 56.319 0.3 . 1 . . . . . 103 SER CA . 27612 1 990 . 1 1 104 104 SER CB C 13 66.137 0.3 . 1 . . . . . 103 SER CB . 27612 1 991 . 1 1 104 104 SER N N 15 114.836 0.3 . 1 . . . . . 103 SER N . 27612 1 992 . 1 1 105 105 VAL H H 1 8.663 0.020 . 1 . . . . . 104 VAL H . 27612 1 993 . 1 1 105 105 VAL HA H 1 5.172 0.020 . 1 . . . . . 104 VAL HA . 27612 1 994 . 1 1 105 105 VAL HB H 1 1.735 0.020 . 1 . . . . . 104 VAL HB . 27612 1 995 . 1 1 105 105 VAL HG11 H 1 0.712 0.020 . 1 . . . . . 104 VAL HG1 . 27612 1 996 . 1 1 105 105 VAL HG12 H 1 0.712 0.020 . 1 . . . . . 104 VAL HG1 . 27612 1 997 . 1 1 105 105 VAL HG13 H 1 0.712 0.020 . 1 . . . . . 104 VAL HG1 . 27612 1 998 . 1 1 105 105 VAL HG21 H 1 0.844 0.020 . 1 . . . . . 104 VAL HG2 . 27612 1 999 . 1 1 105 105 VAL HG22 H 1 0.844 0.020 . 1 . . . . . 104 VAL HG2 . 27612 1 1000 . 1 1 105 105 VAL HG23 H 1 0.844 0.020 . 1 . . . . . 104 VAL HG2 . 27612 1 1001 . 1 1 105 105 VAL CA C 13 58.560 0.3 . 1 . . . . . 104 VAL CA . 27612 1 1002 . 1 1 105 105 VAL CB C 13 35.353 0.3 . 1 . . . . . 104 VAL CB . 27612 1 1003 . 1 1 105 105 VAL CG1 C 13 22.042 0.3 . 1 . . . . . 104 VAL CG1 . 27612 1 1004 . 1 1 105 105 VAL CG2 C 13 20.111 0.3 . 1 . . . . . 104 VAL CG2 . 27612 1 1005 . 1 1 105 105 VAL N N 15 118.652 0.3 . 1 . . . . . 104 VAL N . 27612 1 1006 . 1 1 106 106 ALA H H 1 8.906 0.020 . 1 . . . . . 105 ALA H . 27612 1 1007 . 1 1 106 106 ALA HA H 1 5.572 0.020 . 1 . . . . . 105 ALA HA . 27612 1 1008 . 1 1 106 106 ALA HB1 H 1 1.513 0.020 . 1 . . . . . 105 ALA HB . 27612 1 1009 . 1 1 106 106 ALA HB2 H 1 1.513 0.020 . 1 . . . . . 105 ALA HB . 27612 1 1010 . 1 1 106 106 ALA HB3 H 1 1.513 0.020 . 1 . . . . . 105 ALA HB . 27612 1 1011 . 1 1 106 106 ALA CA C 13 49.943 0.3 . 1 . . . . . 105 ALA CA . 27612 1 1012 . 1 1 106 106 ALA CB C 13 22.691 0.3 . 1 . . . . . 105 ALA CB . 27612 1 1013 . 1 1 106 106 ALA N N 15 133.292 0.3 . 1 . . . . . 105 ALA N . 27612 1 1014 . 1 1 107 107 ILE H H 1 9.425 0.020 . 1 . . . . . 106 ILE H . 27612 1 1015 . 1 1 107 107 ILE HA H 1 5.234 0.020 . 1 . . . . . 106 ILE HA . 27612 1 1016 . 1 1 107 107 ILE HB H 1 1.694 0.020 . 1 . . . . . 106 ILE HB . 27612 1 1017 . 1 1 107 107 ILE HG12 H 1 1.764 0.020 . 1 . . . . . 106 ILE HG12 . 27612 1 1018 . 1 1 107 107 ILE HG13 H 1 1.764 0.020 . 1 . . . . . 106 ILE HG13 . 27612 1 1019 . 1 1 107 107 ILE HG21 H 1 1.179 0.020 . 1 . . . . . 106 ILE HG2 . 27612 1 1020 . 1 1 107 107 ILE HG22 H 1 1.179 0.020 . 1 . . . . . 106 ILE HG2 . 27612 1 1021 . 1 1 107 107 ILE HG23 H 1 1.179 0.020 . 1 . . . . . 106 ILE HG2 . 27612 1 1022 . 1 1 107 107 ILE HD11 H 1 1.070 0.020 . 1 . . . . . 106 ILE HD1 . 27612 1 1023 . 1 1 107 107 ILE HD12 H 1 1.070 0.020 . 1 . . . . . 106 ILE HD1 . 27612 1 1024 . 1 1 107 107 ILE HD13 H 1 1.070 0.020 . 1 . . . . . 106 ILE HD1 . 27612 1 1025 . 1 1 107 107 ILE CA C 13 57.201 0.3 . 1 . . . . . 106 ILE CA . 27612 1 1026 . 1 1 107 107 ILE CB C 13 44.356 0.3 . 1 . . . . . 106 ILE CB . 27612 1 1027 . 1 1 107 107 ILE CG1 C 13 27.455 0.3 . 1 . . . . . 106 ILE CG1 . 27612 1 1028 . 1 1 107 107 ILE CG2 C 13 16.256 0.3 . 1 . . . . . 106 ILE CG2 . 27612 1 1029 . 1 1 107 107 ILE CD1 C 13 15.254 0.3 . 1 . . . . . 106 ILE CD1 . 27612 1 1030 . 1 1 107 107 ILE N N 15 123.036 0.3 . 1 . . . . . 106 ILE N . 27612 1 1031 . 1 1 108 108 PRO HA H 1 5.613 0.020 . 1 . . . . . 107 PRO HA . 27612 1 1032 . 1 1 108 108 PRO HB2 H 1 1.915 0.020 . 2 . . . . . 107 PRO HB2 . 27612 1 1033 . 1 1 108 108 PRO HB3 H 1 1.736 0.020 . 2 . . . . . 107 PRO HB3 . 27612 1 1034 . 1 1 108 108 PRO HD2 H 1 4.038 0.020 . 2 . . . . . 107 PRO HD2 . 27612 1 1035 . 1 1 108 108 PRO HD3 H 1 3.636 0.020 . 2 . . . . . 107 PRO HD3 . 27612 1 1036 . 1 1 108 108 PRO CA C 13 61.203 0.3 . 1 . . . . . 107 PRO CA . 27612 1 1037 . 1 1 108 108 PRO CB C 13 32.254 0.3 . 1 . . . . . 107 PRO CB . 27612 1 1038 . 1 1 108 108 PRO CG C 13 25.830 0.3 . 1 . . . . . 107 PRO CG . 27612 1 1039 . 1 1 108 108 PRO CD C 13 50.707 0.3 . 1 . . . . . 107 PRO CD . 27612 1 1040 . 1 1 109 109 LEU H H 1 8.644 0.020 . 1 . . . . . 108 LEU H . 27612 1 1041 . 1 1 109 109 LEU HA H 1 4.573 0.020 . 1 . . . . . 108 LEU HA . 27612 1 1042 . 1 1 109 109 LEU HB2 H 1 2.150 0.020 . 1 . . . . . 108 LEU HB2 . 27612 1 1043 . 1 1 109 109 LEU HB3 H 1 2.150 0.020 . 1 . . . . . 108 LEU HB3 . 27612 1 1044 . 1 1 109 109 LEU HG H 1 1.531 0.020 . 1 . . . . . 108 LEU HG . 27612 1 1045 . 1 1 109 109 LEU HD11 H 1 0.657 0.020 . 1 . . . . . 108 LEU HD1 . 27612 1 1046 . 1 1 109 109 LEU HD12 H 1 0.657 0.020 . 1 . . . . . 108 LEU HD1 . 27612 1 1047 . 1 1 109 109 LEU HD13 H 1 0.657 0.020 . 1 . . . . . 108 LEU HD1 . 27612 1 1048 . 1 1 109 109 LEU CA C 13 54.085 0.3 . 1 . . . . . 108 LEU CA . 27612 1 1049 . 1 1 109 109 LEU CB C 13 40.752 0.3 . 1 . . . . . 108 LEU CB . 27612 1 1050 . 1 1 109 109 LEU CG C 13 29.371 0.3 . 1 . . . . . 108 LEU CG . 27612 1 1051 . 1 1 109 109 LEU CD1 C 13 25.222 0.3 . 1 . . . . . 108 LEU CD1 . 27612 1 1052 . 1 1 109 109 LEU CD2 C 13 24.871 0.3 . 1 . . . . . 108 LEU CD2 . 27612 1 1053 . 1 1 109 109 LEU N N 15 113.859 0.3 . 1 . . . . . 108 LEU N . 27612 1 1054 . 1 1 110 110 LEU H H 1 8.354 0.020 . 1 . . . . . 109 LEU H . 27612 1 1055 . 1 1 110 110 LEU HA H 1 4.885 0.020 . 1 . . . . . 109 LEU HA . 27612 1 1056 . 1 1 110 110 LEU HB2 H 1 2.132 0.020 . 2 . . . . . 109 LEU HB2 . 27612 1 1057 . 1 1 110 110 LEU HB3 H 1 1.265 0.020 . 2 . . . . . 109 LEU HB3 . 27612 1 1058 . 1 1 110 110 LEU HG H 1 1.097 0.020 . 1 . . . . . 109 LEU HG . 27612 1 1059 . 1 1 110 110 LEU CA C 13 53.811 0.3 . 1 . . . . . 109 LEU CA . 27612 1 1060 . 1 1 110 110 LEU CB C 13 41.329 0.3 . 1 . . . . . 109 LEU CB . 27612 1 1061 . 1 1 110 110 LEU CG C 13 28.281 0.3 . 1 . . . . . 109 LEU CG . 27612 1 1062 . 1 1 110 110 LEU CD1 C 13 26.486 0.3 . 1 . . . . . 109 LEU CD1 . 27612 1 1063 . 1 1 110 110 LEU CD2 C 13 24.282 0.3 . 1 . . . . . 109 LEU CD2 . 27612 1 1064 . 1 1 110 110 LEU N N 15 126.623 0.3 . 1 . . . . . 109 LEU N . 27612 1 1065 . 1 1 111 111 SER H H 1 10.185 0.020 . 1 . . . . . 110 SER H . 27612 1 1066 . 1 1 111 111 SER HA H 1 3.921 0.020 . 1 . . . . . 110 SER HA . 27612 1 1067 . 1 1 111 111 SER HB2 H 1 3.989 0.020 . 1 . . . . . 110 SER HB2 . 27612 1 1068 . 1 1 111 111 SER HB3 H 1 3.989 0.020 . 1 . . . . . 110 SER HB3 . 27612 1 1069 . 1 1 111 111 SER CA C 13 61.363 0.3 . 1 . . . . . 110 SER CA . 27612 1 1070 . 1 1 111 111 SER CB C 13 58.182 0.3 . 1 . . . . . 110 SER CB . 27612 1 1071 . 1 1 111 111 SER N N 15 115.450 0.3 . 1 . . . . . 110 SER N . 27612 1 1072 . 1 1 112 112 THR H H 1 7.025 0.020 . 1 . . . . . 111 THR H . 27612 1 1073 . 1 1 112 112 THR HA H 1 4.898 0.020 . 1 . . . . . 111 THR HA . 27612 1 1074 . 1 1 112 112 THR HB H 1 4.556 0.020 . 1 . . . . . 111 THR HB . 27612 1 1075 . 1 1 112 112 THR HG21 H 1 1.102 0.020 . 1 . . . . . 111 THR HG2 . 27612 1 1076 . 1 1 112 112 THR HG22 H 1 1.102 0.020 . 1 . . . . . 111 THR HG2 . 27612 1 1077 . 1 1 112 112 THR HG23 H 1 1.102 0.020 . 1 . . . . . 111 THR HG2 . 27612 1 1078 . 1 1 112 112 THR CA C 13 61.074 0.3 . 1 . . . . . 111 THR CA . 27612 1 1079 . 1 1 112 112 THR CB C 13 69.393 0.3 . 1 . . . . . 111 THR CB . 27612 1 1080 . 1 1 112 112 THR CG2 C 13 19.956 0.3 . 1 . . . . . 111 THR CG2 . 27612 1 1081 . 1 1 112 112 THR N N 15 99.751 0.3 . 1 . . . . . 111 THR N . 27612 1 1082 . 1 1 113 113 GLY H H 1 9.502 0.020 . 1 . . . . . 112 GLY H . 27612 1 1083 . 1 1 113 113 GLY HA2 H 1 4.743 0.020 . 1 . . . . . 112 GLY HA2 . 27612 1 1084 . 1 1 113 113 GLY HA3 H 1 4.743 0.020 . 1 . . . . . 112 GLY HA3 . 27612 1 1085 . 1 1 113 113 GLY CA C 13 44.905 0.3 . 1 . . . . . 112 GLY CA . 27612 1 1086 . 1 1 113 113 GLY N N 15 117.530 0.3 . 1 . . . . . 112 GLY N . 27612 1 1087 . 1 1 115 115 PHE HA H 1 4.519 0.020 . 1 . . . . . 114 PHE HA . 27612 1 1088 . 1 1 115 115 PHE HB2 H 1 2.898 0.020 . 1 . . . . . 114 PHE HB2 . 27612 1 1089 . 1 1 115 115 PHE CA C 13 53.487 0.3 . 1 . . . . . 114 PHE CA . 27612 1 1090 . 1 1 115 115 PHE CB C 13 37.587 0.3 . 1 . . . . . 114 PHE CB . 27612 1 1091 . 1 1 116 116 SER H H 1 8.263 0.020 . 1 . . . . . 115 SER H . 27612 1 1092 . 1 1 116 116 SER HA H 1 4.355 0.020 . 1 . . . . . 115 SER HA . 27612 1 1093 . 1 1 116 116 SER HB2 H 1 3.975 0.020 . 1 . . . . . 115 SER HB2 . 27612 1 1094 . 1 1 116 116 SER HB3 H 1 3.975 0.020 . 1 . . . . . 115 SER HB3 . 27612 1 1095 . 1 1 116 116 SER CA C 13 61.590 0.3 . 1 . . . . . 115 SER CA . 27612 1 1096 . 1 1 116 116 SER CB C 13 65.393 0.3 . 1 . . . . . 115 SER CB . 27612 1 1097 . 1 1 116 116 SER N N 15 115.124 0.3 . 1 . . . . . 115 SER N . 27612 1 1098 . 1 1 117 117 ALA H H 1 8.759 0.020 . 1 . . . . . 116 ALA H . 27612 1 1099 . 1 1 117 117 ALA HA H 1 4.266 0.020 . 1 . . . . . 116 ALA HA . 27612 1 1100 . 1 1 117 117 ALA HB1 H 1 1.337 0.020 . 1 . . . . . 116 ALA HB . 27612 1 1101 . 1 1 117 117 ALA HB2 H 1 1.337 0.020 . 1 . . . . . 116 ALA HB . 27612 1 1102 . 1 1 117 117 ALA HB3 H 1 1.337 0.020 . 1 . . . . . 116 ALA HB . 27612 1 1103 . 1 1 117 117 ALA CA C 13 53.332 0.3 . 1 . . . . . 116 ALA CA . 27612 1 1104 . 1 1 117 117 ALA CB C 13 17.288 0.3 . 1 . . . . . 116 ALA CB . 27612 1 1105 . 1 1 117 117 ALA N N 15 124.797 0.3 . 1 . . . . . 116 ALA N . 27612 1 1106 . 1 1 118 118 GLY H H 1 8.131 0.020 . 1 . . . . . 117 GLY H . 27612 1 1107 . 1 1 118 118 GLY HA2 H 1 4.112 0.020 . 2 . . . . . 117 GLY HA2 . 27612 1 1108 . 1 1 118 118 GLY HA3 H 1 3.762 0.020 . 2 . . . . . 117 GLY HA3 . 27612 1 1109 . 1 1 118 118 GLY CA C 13 45.939 0.3 . 1 . . . . . 117 GLY CA . 27612 1 1110 . 1 1 118 118 GLY N N 15 106.004 0.3 . 1 . . . . . 117 GLY N . 27612 1 1111 . 1 1 119 119 LYS H H 1 6.746 0.020 . 1 . . . . . 118 LYS H . 27612 1 1112 . 1 1 119 119 LYS HA H 1 4.478 0.020 . 1 . . . . . 118 LYS HA . 27612 1 1113 . 1 1 119 119 LYS HB2 H 1 1.648 0.020 . 2 . . . . . 118 LYS HB2 . 27612 1 1114 . 1 1 119 119 LYS HB3 H 1 1.539 0.020 . 2 . . . . . 118 LYS HB3 . 27612 1 1115 . 1 1 119 119 LYS HG2 H 1 1.417 0.020 . 2 . . . . . 118 LYS HG2 . 27612 1 1116 . 1 1 119 119 LYS HG3 H 1 1.306 0.020 . 2 . . . . . 118 LYS HG3 . 27612 1 1117 . 1 1 119 119 LYS HD2 H 1 1.565 0.020 . 1 . . . . . 118 LYS HD2 . 27612 1 1118 . 1 1 119 119 LYS HD3 H 1 1.565 0.020 . 1 . . . . . 118 LYS HD3 . 27612 1 1119 . 1 1 119 119 LYS HE2 H 1 2.970 0.020 . 1 . . . . . 118 LYS HE2 . 27612 1 1120 . 1 1 119 119 LYS HE3 H 1 2.970 0.020 . 1 . . . . . 118 LYS HE3 . 27612 1 1121 . 1 1 119 119 LYS CA C 13 54.245 0.3 . 1 . . . . . 118 LYS CA . 27612 1 1122 . 1 1 119 119 LYS CB C 13 34.493 0.3 . 1 . . . . . 118 LYS CB . 27612 1 1123 . 1 1 119 119 LYS CG C 13 25.166 0.3 . 1 . . . . . 118 LYS CG . 27612 1 1124 . 1 1 119 119 LYS CD C 13 28.686 0.3 . 1 . . . . . 118 LYS CD . 27612 1 1125 . 1 1 119 119 LYS CE C 13 42.178 0.3 . 1 . . . . . 118 LYS CE . 27612 1 1126 . 1 1 119 119 LYS N N 15 119.965 0.3 . 1 . . . . . 118 LYS N . 27612 1 1127 . 1 1 121 121 ARG HA H 1 4.873 0.020 . 1 . . . . . 120 ARG HA . 27612 1 1128 . 1 1 121 121 ARG HB2 H 1 1.614 0.020 . 1 . . . . . 120 ARG HB2 . 27612 1 1129 . 1 1 121 121 ARG HB3 H 1 1.614 0.020 . 1 . . . . . 120 ARG HB3 . 27612 1 1130 . 1 1 121 121 ARG CA C 13 54.387 0.3 . 1 . . . . . 120 ARG CA . 27612 1 1131 . 1 1 121 121 ARG CB C 13 29.877 0.3 . 1 . . . . . 120 ARG CB . 27612 1 1132 . 1 1 121 121 ARG CG C 13 26.699 0.3 . 1 . . . . . 120 ARG CG . 27612 1 1133 . 1 1 121 121 ARG CD C 13 42.323 0.3 . 1 . . . . . 120 ARG CD . 27612 1 1134 . 1 1 122 122 VAL H H 1 7.829 0.020 . 1 . . . . . 121 VAL H . 27612 1 1135 . 1 1 122 122 VAL HA H 1 3.040 0.020 . 1 . . . . . 121 VAL HA . 27612 1 1136 . 1 1 122 122 VAL HB H 1 1.154 0.020 . 1 . . . . . 121 VAL HB . 27612 1 1137 . 1 1 122 122 VAL HG11 H 1 -0.340 0.020 . 1 . . . . . 121 VAL HG1 . 27612 1 1138 . 1 1 122 122 VAL HG12 H 1 -0.340 0.020 . 1 . . . . . 121 VAL HG1 . 27612 1 1139 . 1 1 122 122 VAL HG13 H 1 -0.340 0.020 . 1 . . . . . 121 VAL HG1 . 27612 1 1140 . 1 1 122 122 VAL HG21 H 1 0.286 0.020 . 1 . . . . . 121 VAL HG2 . 27612 1 1141 . 1 1 122 122 VAL HG22 H 1 0.286 0.020 . 1 . . . . . 121 VAL HG2 . 27612 1 1142 . 1 1 122 122 VAL HG23 H 1 0.286 0.020 . 1 . . . . . 121 VAL HG2 . 27612 1 1143 . 1 1 122 122 VAL CA C 13 67.752 0.3 . 1 . . . . . 121 VAL CA . 27612 1 1144 . 1 1 122 122 VAL CB C 13 30.294 0.3 . 1 . . . . . 121 VAL CB . 27612 1 1145 . 1 1 122 122 VAL CG1 C 13 20.970 0.3 . 1 . . . . . 121 VAL CG1 . 27612 1 1146 . 1 1 122 122 VAL CG2 C 13 19.409 0.3 . 1 . . . . . 121 VAL CG2 . 27612 1 1147 . 1 1 122 122 VAL N N 15 122.627 0.3 . 1 . . . . . 121 VAL N . 27612 1 1148 . 1 1 123 123 HIS H H 1 8.508 0.020 . 1 . . . . . 122 HIS H . 27612 1 1149 . 1 1 123 123 HIS HA H 1 3.980 0.020 . 1 . . . . . 122 HIS HA . 27612 1 1150 . 1 1 123 123 HIS HB2 H 1 2.935 0.020 . 2 . . . . . 122 HIS HB2 . 27612 1 1151 . 1 1 123 123 HIS HB3 H 1 2.828 0.020 . 2 . . . . . 122 HIS HB3 . 27612 1 1152 . 1 1 123 123 HIS CA C 13 60.902 0.3 . 1 . . . . . 122 HIS CA . 27612 1 1153 . 1 1 123 123 HIS CB C 13 29.703 0.3 . 1 . . . . . 122 HIS CB . 27612 1 1154 . 1 1 123 123 HIS N N 15 118.392 0.3 . 1 . . . . . 122 HIS N . 27612 1 1155 . 1 1 124 124 GLN H H 1 8.035 0.020 . 1 . . . . . 123 GLN H . 27612 1 1156 . 1 1 124 124 GLN HA H 1 3.895 0.020 . 1 . . . . . 123 GLN HA . 27612 1 1157 . 1 1 124 124 GLN HB2 H 1 2.002 0.020 . 1 . . . . . 123 GLN HB2 . 27612 1 1158 . 1 1 124 124 GLN HB3 H 1 2.002 0.020 . 1 . . . . . 123 GLN HB3 . 27612 1 1159 . 1 1 124 124 GLN HG2 H 1 2.507 0.020 . 1 . . . . . 123 GLN HG2 . 27612 1 1160 . 1 1 124 124 GLN HG3 H 1 2.507 0.020 . 1 . . . . . 123 GLN HG3 . 27612 1 1161 . 1 1 124 124 GLN CA C 13 58.357 0.3 . 1 . . . . . 123 GLN CA . 27612 1 1162 . 1 1 124 124 GLN CB C 13 28.334 0.3 . 1 . . . . . 123 GLN CB . 27612 1 1163 . 1 1 124 124 GLN CG C 13 32.218 0.3 . 1 . . . . . 123 GLN CG . 27612 1 1164 . 1 1 124 124 GLN N N 15 122.785 0.3 . 1 . . . . . 123 GLN N . 27612 1 1165 . 1 1 125 125 SER H H 1 8.725 0.020 . 1 . . . . . 124 SER H . 27612 1 1166 . 1 1 125 125 SER HA H 1 4.352 0.020 . 1 . . . . . 124 SER HA . 27612 1 1167 . 1 1 125 125 SER HB2 H 1 3.982 0.020 . 1 . . . . . 124 SER HB2 . 27612 1 1168 . 1 1 125 125 SER HB3 H 1 3.982 0.020 . 1 . . . . . 124 SER HB3 . 27612 1 1169 . 1 1 125 125 SER CA C 13 61.921 0.3 . 1 . . . . . 124 SER CA . 27612 1 1170 . 1 1 125 125 SER CB C 13 65.080 0.3 . 1 . . . . . 124 SER CB . 27612 1 1171 . 1 1 125 125 SER N N 15 111.997 0.3 . 1 . . . . . 124 SER N . 27612 1 1172 . 1 1 126 126 LEU H H 1 8.747 0.020 . 1 . . . . . 125 LEU H . 27612 1 1173 . 1 1 126 126 LEU HA H 1 3.877 0.020 . 1 . . . . . 125 LEU HA . 27612 1 1174 . 1 1 126 126 LEU HB2 H 1 1.942 0.020 . 2 . . . . . 125 LEU HB2 . 27612 1 1175 . 1 1 126 126 LEU HB3 H 1 1.428 0.020 . 2 . . . . . 125 LEU HB3 . 27612 1 1176 . 1 1 126 126 LEU HG H 1 0.839 0.020 . 1 . . . . . 125 LEU HG . 27612 1 1177 . 1 1 126 126 LEU HD11 H 1 0.816 0.020 . 1 . . . . . 125 LEU HD1 . 27612 1 1178 . 1 1 126 126 LEU HD12 H 1 0.816 0.020 . 1 . . . . . 125 LEU HD1 . 27612 1 1179 . 1 1 126 126 LEU HD13 H 1 0.816 0.020 . 1 . . . . . 125 LEU HD1 . 27612 1 1180 . 1 1 126 126 LEU HD21 H 1 0.816 0.020 . 1 . . . . . 125 LEU HD2 . 27612 1 1181 . 1 1 126 126 LEU HD22 H 1 0.816 0.020 . 1 . . . . . 125 LEU HD2 . 27612 1 1182 . 1 1 126 126 LEU HD23 H 1 0.816 0.020 . 1 . . . . . 125 LEU HD2 . 27612 1 1183 . 1 1 126 126 LEU CA C 13 57.057 0.3 . 1 . . . . . 125 LEU CA . 27612 1 1184 . 1 1 126 126 LEU CB C 13 42.155 0.3 . 1 . . . . . 125 LEU CB . 27612 1 1185 . 1 1 126 126 LEU CG C 13 27.779 0.3 . 1 . . . . . 125 LEU CG . 27612 1 1186 . 1 1 126 126 LEU CD1 C 13 24.074 0.3 . 1 . . . . . 125 LEU CD1 . 27612 1 1187 . 1 1 126 126 LEU CD2 C 13 23.854 0.3 . 1 . . . . . 125 LEU CD2 . 27612 1 1188 . 1 1 126 126 LEU N N 15 118.408 0.3 . 1 . . . . . 125 LEU N . 27612 1 1189 . 1 1 127 127 SER H H 1 8.136 0.020 . 1 . . . . . 126 SER H . 27612 1 1190 . 1 1 127 127 SER HA H 1 3.708 0.020 . 1 . . . . . 126 SER HA . 27612 1 1191 . 1 1 127 127 SER HB2 H 1 3.878 0.020 . 1 . . . . . 126 SER HB2 . 27612 1 1192 . 1 1 127 127 SER HB3 H 1 3.878 0.020 . 1 . . . . . 126 SER HB3 . 27612 1 1193 . 1 1 127 127 SER CA C 13 62.144 0.3 . 1 . . . . . 126 SER CA . 27612 1 1194 . 1 1 127 127 SER CB C 13 62.314 0.3 . 1 . . . . . 126 SER CB . 27612 1 1195 . 1 1 127 127 SER N N 15 114.522 0.3 . 1 . . . . . 126 SER N . 27612 1 1196 . 1 1 128 128 HIS H H 1 6.967 0.020 . 1 . . . . . 127 HIS H . 27612 1 1197 . 1 1 128 128 HIS HA H 1 4.799 0.020 . 1 . . . . . 127 HIS HA . 27612 1 1198 . 1 1 128 128 HIS HB2 H 1 3.180 0.020 . 1 . . . . . 127 HIS HB2 . 27612 1 1199 . 1 1 128 128 HIS HB3 H 1 3.180 0.020 . 1 . . . . . 127 HIS HB3 . 27612 1 1200 . 1 1 128 128 HIS CA C 13 58.227 0.3 . 1 . . . . . 127 HIS CA . 27612 1 1201 . 1 1 128 128 HIS CB C 13 32.370 0.3 . 1 . . . . . 127 HIS CB . 27612 1 1202 . 1 1 128 128 HIS N N 15 120.730 0.3 . 1 . . . . . 127 HIS N . 27612 1 1203 . 1 1 129 129 LEU H H 1 7.703 0.020 . 1 . . . . . 128 LEU H . 27612 1 1204 . 1 1 129 129 LEU HA H 1 2.726 0.020 . 1 . . . . . 128 LEU HA . 27612 1 1205 . 1 1 129 129 LEU HB2 H 1 1.153 0.020 . 2 . . . . . 128 LEU HB2 . 27612 1 1206 . 1 1 129 129 LEU HB3 H 1 1.697 0.020 . 2 . . . . . 128 LEU HB3 . 27612 1 1207 . 1 1 129 129 LEU HG H 1 0.965 0.020 . 1 . . . . . 128 LEU HG . 27612 1 1208 . 1 1 129 129 LEU HD11 H 1 0.726 0.020 . 1 . . . . . 128 LEU HD1 . 27612 1 1209 . 1 1 129 129 LEU HD12 H 1 0.726 0.020 . 1 . . . . . 128 LEU HD1 . 27612 1 1210 . 1 1 129 129 LEU HD13 H 1 0.726 0.020 . 1 . . . . . 128 LEU HD1 . 27612 1 1211 . 1 1 129 129 LEU HD21 H 1 0.741 0.020 . 1 . . . . . 128 LEU HD2 . 27612 1 1212 . 1 1 129 129 LEU HD22 H 1 0.741 0.020 . 1 . . . . . 128 LEU HD2 . 27612 1 1213 . 1 1 129 129 LEU HD23 H 1 0.741 0.020 . 1 . . . . . 128 LEU HD2 . 27612 1 1214 . 1 1 129 129 LEU CA C 13 59.959 0.3 . 1 . . . . . 128 LEU CA . 27612 1 1215 . 1 1 129 129 LEU CB C 13 41.722 0.3 . 1 . . . . . 128 LEU CB . 27612 1 1216 . 1 1 129 129 LEU CG C 13 28.673 0.3 . 1 . . . . . 128 LEU CG . 27612 1 1217 . 1 1 129 129 LEU CD1 C 13 24.401 0.3 . 1 . . . . . 128 LEU CD1 . 27612 1 1218 . 1 1 129 129 LEU CD2 C 13 24.108 0.3 . 1 . . . . . 128 LEU CD2 . 27612 1 1219 . 1 1 129 129 LEU N N 15 127.630 0.3 . 1 . . . . . 128 LEU N . 27612 1 1220 . 1 1 130 130 LEU H H 1 8.356 0.020 . 1 . . . . . 129 LEU H . 27612 1 1221 . 1 1 130 130 LEU HA H 1 3.826 0.020 . 1 . . . . . 129 LEU HA . 27612 1 1222 . 1 1 130 130 LEU HB2 H 1 1.575 0.020 . 2 . . . . . 129 LEU HB2 . 27612 1 1223 . 1 1 130 130 LEU HB3 H 1 1.128 0.020 . 2 . . . . . 129 LEU HB3 . 27612 1 1224 . 1 1 130 130 LEU HG H 1 0.413 0.020 . 1 . . . . . 129 LEU HG . 27612 1 1225 . 1 1 130 130 LEU HD11 H 1 -0.125 0.020 . 1 . . . . . 129 LEU HD1 . 27612 1 1226 . 1 1 130 130 LEU HD12 H 1 -0.125 0.020 . 1 . . . . . 129 LEU HD1 . 27612 1 1227 . 1 1 130 130 LEU HD13 H 1 -0.125 0.020 . 1 . . . . . 129 LEU HD1 . 27612 1 1228 . 1 1 130 130 LEU CA C 13 57.067 0.3 . 1 . . . . . 129 LEU CA . 27612 1 1229 . 1 1 130 130 LEU CB C 13 41.276 0.3 . 1 . . . . . 129 LEU CB . 27612 1 1230 . 1 1 130 130 LEU CG C 13 25.278 0.3 . 1 . . . . . 129 LEU CG . 27612 1 1231 . 1 1 130 130 LEU CD1 C 13 21.470 0.3 . 1 . . . . . 129 LEU CD1 . 27612 1 1232 . 1 1 130 130 LEU CD2 C 13 21.148 0.3 . 1 . . . . . 129 LEU CD2 . 27612 1 1233 . 1 1 130 130 LEU N N 15 121.262 0.3 . 1 . . . . . 129 LEU N . 27612 1 1234 . 1 1 131 131 ALA H H 1 7.367 0.020 . 1 . . . . . 130 ALA H . 27612 1 1235 . 1 1 131 131 ALA HA H 1 4.008 0.020 . 1 . . . . . 130 ALA HA . 27612 1 1236 . 1 1 131 131 ALA HB1 H 1 1.503 0.020 . 1 . . . . . 130 ALA HB . 27612 1 1237 . 1 1 131 131 ALA HB2 H 1 1.503 0.020 . 1 . . . . . 130 ALA HB . 27612 1 1238 . 1 1 131 131 ALA HB3 H 1 1.503 0.020 . 1 . . . . . 130 ALA HB . 27612 1 1239 . 1 1 131 131 ALA CA C 13 54.826 0.3 . 1 . . . . . 130 ALA CA . 27612 1 1240 . 1 1 131 131 ALA CB C 13 18.448 0.3 . 1 . . . . . 130 ALA CB . 27612 1 1241 . 1 1 131 131 ALA N N 15 118.388 0.3 . 1 . . . . . 130 ALA N . 27612 1 1242 . 1 1 132 132 ALA H H 1 7.194 0.020 . 1 . . . . . 131 ALA H . 27612 1 1243 . 1 1 132 132 ALA HA H 1 4.290 0.020 . 1 . . . . . 131 ALA HA . 27612 1 1244 . 1 1 132 132 ALA HB1 H 1 1.499 0.020 . 1 . . . . . 131 ALA HB . 27612 1 1245 . 1 1 132 132 ALA HB2 H 1 1.499 0.020 . 1 . . . . . 131 ALA HB . 27612 1 1246 . 1 1 132 132 ALA HB3 H 1 1.499 0.020 . 1 . . . . . 131 ALA HB . 27612 1 1247 . 1 1 132 132 ALA CA C 13 53.790 0.3 . 1 . . . . . 131 ALA CA . 27612 1 1248 . 1 1 132 132 ALA CB C 13 20.065 0.3 . 1 . . . . . 131 ALA CB . 27612 1 1249 . 1 1 132 132 ALA N N 15 116.612 0.3 . 1 . . . . . 131 ALA N . 27612 1 1250 . 1 1 133 133 MET H H 1 9.445 0.020 . 1 . . . . . 132 MET H . 27612 1 1251 . 1 1 133 133 MET HA H 1 4.553 0.020 . 1 . . . . . 132 MET HA . 27612 1 1252 . 1 1 133 133 MET HB2 H 1 2.015 0.020 . 1 . . . . . 132 MET HB2 . 27612 1 1253 . 1 1 133 133 MET HB3 H 1 2.015 0.020 . 1 . . . . . 132 MET HB3 . 27612 1 1254 . 1 1 133 133 MET HG2 H 1 1.566 0.020 . 1 . . . . . 132 MET HG2 . 27612 1 1255 . 1 1 133 133 MET HG3 H 1 1.566 0.020 . 1 . . . . . 132 MET HG3 . 27612 1 1256 . 1 1 133 133 MET CA C 13 56.311 0.3 . 1 . . . . . 132 MET CA . 27612 1 1257 . 1 1 133 133 MET CB C 13 29.367 0.3 . 1 . . . . . 132 MET CB . 27612 1 1258 . 1 1 133 133 MET CG C 13 28.328 0.3 . 1 . . . . . 132 MET CG . 27612 1 1259 . 1 1 133 133 MET N N 15 119.804 0.3 . 1 . . . . . 132 MET N . 27612 1 1260 . 1 1 134 134 ASP H H 1 8.493 0.020 . 1 . . . . . 133 ASP H . 27612 1 1261 . 1 1 134 134 ASP HA H 1 4.679 0.020 . 1 . . . . . 133 ASP HA . 27612 1 1262 . 1 1 134 134 ASP HB2 H 1 2.772 0.020 . 2 . . . . . 133 ASP HB2 . 27612 1 1263 . 1 1 134 134 ASP HB3 H 1 2.871 0.020 . 2 . . . . . 133 ASP HB3 . 27612 1 1264 . 1 1 134 134 ASP CA C 13 56.484 0.3 . 1 . . . . . 133 ASP CA . 27612 1 1265 . 1 1 134 134 ASP CB C 13 40.395 0.3 . 1 . . . . . 133 ASP CB . 27612 1 1266 . 1 1 134 134 ASP N N 15 121.587 0.3 . 1 . . . . . 133 ASP N . 27612 1 1267 . 1 1 135 135 THR H H 1 7.602 0.020 . 1 . . . . . 134 THR H . 27612 1 1268 . 1 1 135 135 THR HA H 1 4.604 0.020 . 1 . . . . . 134 THR HA . 27612 1 1269 . 1 1 135 135 THR HB H 1 4.562 0.020 . 1 . . . . . 134 THR HB . 27612 1 1270 . 1 1 135 135 THR HG21 H 1 1.328 0.020 . 1 . . . . . 134 THR HG2 . 27612 1 1271 . 1 1 135 135 THR HG22 H 1 1.328 0.020 . 1 . . . . . 134 THR HG2 . 27612 1 1272 . 1 1 135 135 THR HG23 H 1 1.328 0.020 . 1 . . . . . 134 THR HG2 . 27612 1 1273 . 1 1 135 135 THR CA C 13 62.257 0.3 . 1 . . . . . 134 THR CA . 27612 1 1274 . 1 1 135 135 THR CB C 13 69.471 0.3 . 1 . . . . . 134 THR CB . 27612 1 1275 . 1 1 135 135 THR CG2 C 13 20.845 0.3 . 1 . . . . . 134 THR CG2 . 27612 1 1276 . 1 1 135 135 THR N N 15 109.447 0.3 . 1 . . . . . 134 THR N . 27612 1 1277 . 1 1 136 136 THR H H 1 7.817 0.020 . 1 . . . . . 135 THR H . 27612 1 1278 . 1 1 136 136 THR HA H 1 5.239 0.020 . 1 . . . . . 135 THR HA . 27612 1 1279 . 1 1 136 136 THR HB H 1 4.201 0.020 . 1 . . . . . 135 THR HB . 27612 1 1280 . 1 1 136 136 THR HG21 H 1 1.198 0.020 . 1 . . . . . 135 THR HG2 . 27612 1 1281 . 1 1 136 136 THR HG22 H 1 1.198 0.020 . 1 . . . . . 135 THR HG2 . 27612 1 1282 . 1 1 136 136 THR HG23 H 1 1.198 0.020 . 1 . . . . . 135 THR HG2 . 27612 1 1283 . 1 1 136 136 THR CA C 13 60.188 0.3 . 1 . . . . . 135 THR CA . 27612 1 1284 . 1 1 136 136 THR CB C 13 72.363 0.3 . 1 . . . . . 135 THR CB . 27612 1 1285 . 1 1 136 136 THR CG2 C 13 21.890 0.3 . 1 . . . . . 135 THR CG2 . 27612 1 1286 . 1 1 136 136 THR N N 15 116.076 0.3 . 1 . . . . . 135 THR N . 27612 1 1287 . 1 1 137 137 GLU H H 1 8.623 0.020 . 1 . . . . . 136 GLU H . 27612 1 1288 . 1 1 137 137 GLU HA H 1 4.463 0.020 . 1 . . . . . 136 GLU HA . 27612 1 1289 . 1 1 137 137 GLU HB2 H 1 2.357 0.020 . 2 . . . . . 136 GLU HB2 . 27612 1 1290 . 1 1 137 137 GLU HB3 H 1 1.432 0.020 . 2 . . . . . 136 GLU HB3 . 27612 1 1291 . 1 1 137 137 GLU HG2 H 1 2.258 0.020 . 2 . . . . . 136 GLU HG2 . 27612 1 1292 . 1 1 137 137 GLU HG3 H 1 2.084 0.020 . 2 . . . . . 136 GLU HG3 . 27612 1 1293 . 1 1 137 137 GLU CA C 13 53.323 0.3 . 1 . . . . . 136 GLU CA . 27612 1 1294 . 1 1 137 137 GLU CB C 13 29.348 0.3 . 1 . . . . . 136 GLU CB . 27612 1 1295 . 1 1 137 137 GLU CG C 13 34.994 0.3 . 1 . . . . . 136 GLU CG . 27612 1 1296 . 1 1 137 137 GLU N N 15 116.578 0.3 . 1 . . . . . 136 GLU N . 27612 1 1297 . 1 1 138 138 ALA H H 1 7.147 0.020 . 1 . . . . . 137 ALA H . 27612 1 1298 . 1 1 138 138 ALA HA H 1 4.127 0.020 . 1 . . . . . 137 ALA HA . 27612 1 1299 . 1 1 138 138 ALA HB1 H 1 1.034 0.020 . 1 . . . . . 137 ALA HB . 27612 1 1300 . 1 1 138 138 ALA HB2 H 1 1.034 0.020 . 1 . . . . . 137 ALA HB . 27612 1 1301 . 1 1 138 138 ALA HB3 H 1 1.034 0.020 . 1 . . . . . 137 ALA HB . 27612 1 1302 . 1 1 138 138 ALA CA C 13 52.056 0.3 . 1 . . . . . 137 ALA CA . 27612 1 1303 . 1 1 138 138 ALA CB C 13 19.193 0.3 . 1 . . . . . 137 ALA CB . 27612 1 1304 . 1 1 138 138 ALA N N 15 123.271 0.3 . 1 . . . . . 137 ALA N . 27612 1 1305 . 1 1 139 139 ARG H H 1 7.942 0.020 . 1 . . . . . 138 ARG H . 27612 1 1306 . 1 1 139 139 ARG HA H 1 4.490 0.020 . 1 . . . . . 138 ARG HA . 27612 1 1307 . 1 1 139 139 ARG HB2 H 1 1.939 0.020 . 2 . . . . . 138 ARG HB2 . 27612 1 1308 . 1 1 139 139 ARG HB3 H 1 2.009 0.020 . 2 . . . . . 138 ARG HB3 . 27612 1 1309 . 1 1 139 139 ARG HG2 H 1 1.784 0.020 . 1 . . . . . 138 ARG HG2 . 27612 1 1310 . 1 1 139 139 ARG HG3 H 1 1.784 0.020 . 1 . . . . . 138 ARG HG3 . 27612 1 1311 . 1 1 139 139 ARG HD2 H 1 3.264 0.020 . 1 . . . . . 138 ARG HD2 . 27612 1 1312 . 1 1 139 139 ARG HD3 H 1 3.264 0.020 . 1 . . . . . 138 ARG HD3 . 27612 1 1313 . 1 1 139 139 ARG CA C 13 56.582 0.3 . 1 . . . . . 138 ARG CA . 27612 1 1314 . 1 1 139 139 ARG CB C 13 29.447 0.3 . 1 . . . . . 138 ARG CB . 27612 1 1315 . 1 1 139 139 ARG CG C 13 27.631 0.3 . 1 . . . . . 138 ARG CG . 27612 1 1316 . 1 1 139 139 ARG CD C 13 43.432 0.3 . 1 . . . . . 138 ARG CD . 27612 1 1317 . 1 1 139 139 ARG N N 15 118.658 0.3 . 1 . . . . . 138 ARG N . 27612 1 1318 . 1 1 140 140 VAL H H 1 8.672 0.020 . 1 . . . . . 139 VAL H . 27612 1 1319 . 1 1 140 140 VAL HA H 1 4.449 0.020 . 1 . . . . . 139 VAL HA . 27612 1 1320 . 1 1 140 140 VAL HB H 1 1.953 0.020 . 1 . . . . . 139 VAL HB . 27612 1 1321 . 1 1 140 140 VAL HG11 H 1 0.923 0.020 . 1 . . . . . 139 VAL HG1 . 27612 1 1322 . 1 1 140 140 VAL HG12 H 1 0.923 0.020 . 1 . . . . . 139 VAL HG1 . 27612 1 1323 . 1 1 140 140 VAL HG13 H 1 0.923 0.020 . 1 . . . . . 139 VAL HG1 . 27612 1 1324 . 1 1 140 140 VAL HG21 H 1 0.530 0.020 . 1 . . . . . 139 VAL HG2 . 27612 1 1325 . 1 1 140 140 VAL HG22 H 1 0.530 0.020 . 1 . . . . . 139 VAL HG2 . 27612 1 1326 . 1 1 140 140 VAL HG23 H 1 0.530 0.020 . 1 . . . . . 139 VAL HG2 . 27612 1 1327 . 1 1 140 140 VAL CA C 13 61.384 0.3 . 1 . . . . . 139 VAL CA . 27612 1 1328 . 1 1 140 140 VAL CB C 13 33.153 0.3 . 1 . . . . . 139 VAL CB . 27612 1 1329 . 1 1 140 140 VAL CG1 C 13 21.829 0.3 . 1 . . . . . 139 VAL CG1 . 27612 1 1330 . 1 1 140 140 VAL CG2 C 13 20.422 0.3 . 1 . . . . . 139 VAL CG2 . 27612 1 1331 . 1 1 140 140 VAL N N 15 129.545 0.3 . 1 . . . . . 139 VAL N . 27612 1 1332 . 1 1 141 141 THR H H 1 9.425 0.020 . 1 . . . . . 140 THR H . 27612 1 1333 . 1 1 141 141 THR HA H 1 4.896 0.020 . 1 . . . . . 140 THR HA . 27612 1 1334 . 1 1 141 141 THR HB H 1 4.103 0.020 . 1 . . . . . 140 THR HB . 27612 1 1335 . 1 1 141 141 THR HG21 H 1 0.720 0.020 . 1 . . . . . 140 THR HG2 . 27612 1 1336 . 1 1 141 141 THR HG22 H 1 0.720 0.020 . 1 . . . . . 140 THR HG2 . 27612 1 1337 . 1 1 141 141 THR HG23 H 1 0.720 0.020 . 1 . . . . . 140 THR HG2 . 27612 1 1338 . 1 1 141 141 THR CA C 13 60.303 0.3 . 1 . . . . . 140 THR CA . 27612 1 1339 . 1 1 141 141 THR CB C 13 69.676 0.3 . 1 . . . . . 140 THR CB . 27612 1 1340 . 1 1 141 141 THR CG2 C 13 23.722 0.3 . 1 . . . . . 140 THR CG2 . 27612 1 1341 . 1 1 141 141 THR N N 15 127.249 0.3 . 1 . . . . . 140 THR N . 27612 1 1342 . 1 1 142 142 ILE H H 1 9.217 0.020 . 1 . . . . . 141 ILE H . 27612 1 1343 . 1 1 142 142 ILE HA H 1 5.187 0.020 . 1 . . . . . 141 ILE HA . 27612 1 1344 . 1 1 142 142 ILE HB H 1 1.784 0.020 . 1 . . . . . 141 ILE HB . 27612 1 1345 . 1 1 142 142 ILE HG12 H 1 1.886 0.020 . 1 . . . . . 141 ILE HG12 . 27612 1 1346 . 1 1 142 142 ILE HG13 H 1 1.886 0.020 . 1 . . . . . 141 ILE HG13 . 27612 1 1347 . 1 1 142 142 ILE HG21 H 1 0.966 0.020 . 1 . . . . . 141 ILE HG2 . 27612 1 1348 . 1 1 142 142 ILE HG22 H 1 0.966 0.020 . 1 . . . . . 141 ILE HG2 . 27612 1 1349 . 1 1 142 142 ILE HG23 H 1 0.966 0.020 . 1 . . . . . 141 ILE HG2 . 27612 1 1350 . 1 1 142 142 ILE HD11 H 1 0.789 0.020 . 1 . . . . . 141 ILE HD1 . 27612 1 1351 . 1 1 142 142 ILE HD12 H 1 0.789 0.020 . 1 . . . . . 141 ILE HD1 . 27612 1 1352 . 1 1 142 142 ILE HD13 H 1 0.789 0.020 . 1 . . . . . 141 ILE HD1 . 27612 1 1353 . 1 1 142 142 ILE CA C 13 60.453 0.3 . 1 . . . . . 141 ILE CA . 27612 1 1354 . 1 1 142 142 ILE CB C 13 39.367 0.3 . 1 . . . . . 141 ILE CB . 27612 1 1355 . 1 1 142 142 ILE CG1 C 13 28.336 0.3 . 1 . . . . . 141 ILE CG1 . 27612 1 1356 . 1 1 142 142 ILE CG2 C 13 17.320 0.3 . 1 . . . . . 141 ILE CG2 . 27612 1 1357 . 1 1 142 142 ILE CD1 C 13 14.764 0.3 . 1 . . . . . 141 ILE CD1 . 27612 1 1358 . 1 1 142 142 ILE N N 15 130.593 0.3 . 1 . . . . . 141 ILE N . 27612 1 1359 . 1 1 143 143 TYR H H 1 8.577 0.020 . 1 . . . . . 142 TYR H . 27612 1 1360 . 1 1 143 143 TYR HA H 1 4.419 0.020 . 1 . . . . . 142 TYR HA . 27612 1 1361 . 1 1 143 143 TYR HB2 H 1 2.654 0.020 . 2 . . . . . 142 TYR HB2 . 27612 1 1362 . 1 1 143 143 TYR HB3 H 1 2.431 0.020 . 2 . . . . . 142 TYR HB3 . 27612 1 1363 . 1 1 143 143 TYR HD1 H 1 7.219 0.020 . 1 . . . . . 142 TYR HD1 . 27612 1 1364 . 1 1 143 143 TYR CA C 13 57.362 0.3 . 1 . . . . . 142 TYR CA . 27612 1 1365 . 1 1 143 143 TYR CB C 13 41.748 0.3 . 1 . . . . . 142 TYR CB . 27612 1 1366 . 1 1 143 143 TYR N N 15 129.094 0.3 . 1 . . . . . 142 TYR N . 27612 1 1367 . 1 1 144 144 CYS H H 1 8.684 0.020 . 1 . . . . . 143 CYS H . 27612 1 1368 . 1 1 144 144 CYS HA H 1 5.681 0.020 . 1 . . . . . 143 CYS HA . 27612 1 1369 . 1 1 144 144 CYS HB2 H 1 3.073 0.020 . 1 . . . . . 143 CYS HB2 . 27612 1 1370 . 1 1 144 144 CYS HB3 H 1 3.073 0.020 . 1 . . . . . 143 CYS HB3 . 27612 1 1371 . 1 1 144 144 CYS CA C 13 56.175 0.3 . 1 . . . . . 143 CYS CA . 27612 1 1372 . 1 1 144 144 CYS CB C 13 30.766 0.3 . 1 . . . . . 143 CYS CB . 27612 1 1373 . 1 1 144 144 CYS N N 15 113.538 0.3 . 1 . . . . . 143 CYS N . 27612 1 1374 . 1 1 145 145 ARG H H 1 8.369 0.020 . 1 . . . . . 144 ARG H . 27612 1 1375 . 1 1 145 145 ARG HA H 1 4.481 0.020 . 1 . . . . . 144 ARG HA . 27612 1 1376 . 1 1 145 145 ARG HB2 H 1 1.462 0.020 . 2 . . . . . 144 ARG HB2 . 27612 1 1377 . 1 1 145 145 ARG HB3 H 1 1.214 0.020 . 2 . . . . . 144 ARG HB3 . 27612 1 1378 . 1 1 145 145 ARG HG2 H 1 0.781 0.020 . 1 . . . . . 144 ARG HG2 . 27612 1 1379 . 1 1 145 145 ARG HG3 H 1 0.781 0.020 . 1 . . . . . 144 ARG HG3 . 27612 1 1380 . 1 1 145 145 ARG HD2 H 1 2.086 0.020 . 1 . . . . . 144 ARG HD2 . 27612 1 1381 . 1 1 145 145 ARG HD3 H 1 2.086 0.020 . 1 . . . . . 144 ARG HD3 . 27612 1 1382 . 1 1 145 145 ARG CA C 13 55.266 0.3 . 1 . . . . . 144 ARG CA . 27612 1 1383 . 1 1 145 145 ARG CB C 13 31.685 0.3 . 1 . . . . . 144 ARG CB . 27612 1 1384 . 1 1 145 145 ARG CG C 13 25.727 0.3 . 1 . . . . . 144 ARG CG . 27612 1 1385 . 1 1 145 145 ARG CD C 13 42.548 0.3 . 1 . . . . . 144 ARG CD . 27612 1 1386 . 1 1 145 145 ARG N N 15 113.958 0.3 . 1 . . . . . 144 ARG N . 27612 1 1387 . 1 1 148 148 THR HA H 1 4.208 0.020 . 1 . . . . . 147 THR HA . 27612 1 1388 . 1 1 148 148 THR HB H 1 4.425 0.020 . 1 . . . . . 147 THR HB . 27612 1 1389 . 1 1 148 148 THR HG21 H 1 1.344 0.020 . 1 . . . . . 147 THR HG2 . 27612 1 1390 . 1 1 148 148 THR HG22 H 1 1.344 0.020 . 1 . . . . . 147 THR HG2 . 27612 1 1391 . 1 1 148 148 THR HG23 H 1 1.344 0.020 . 1 . . . . . 147 THR HG2 . 27612 1 1392 . 1 1 148 148 THR CA C 13 65.648 0.3 . 1 . . . . . 147 THR CA . 27612 1 1393 . 1 1 148 148 THR CB C 13 68.044 0.3 . 1 . . . . . 147 THR CB . 27612 1 1394 . 1 1 148 148 THR CG2 C 13 22.080 0.3 . 1 . . . . . 147 THR CG2 . 27612 1 1395 . 1 1 149 149 TRP H H 1 8.386 0.020 . 1 . . . . . 148 TRP H . 27612 1 1396 . 1 1 149 149 TRP HA H 1 4.481 0.020 . 1 . . . . . 148 TRP HA . 27612 1 1397 . 1 1 149 149 TRP HB2 H 1 3.441 0.020 . 2 . . . . . 148 TRP HB2 . 27612 1 1398 . 1 1 149 149 TRP HB3 H 1 3.187 0.020 . 2 . . . . . 148 TRP HB3 . 27612 1 1399 . 1 1 149 149 TRP CA C 13 60.047 0.3 . 1 . . . . . 148 TRP CA . 27612 1 1400 . 1 1 149 149 TRP CB C 13 28.517 0.3 . 1 . . . . . 148 TRP CB . 27612 1 1401 . 1 1 149 149 TRP N N 15 125.214 0.3 . 1 . . . . . 148 TRP N . 27612 1 1402 . 1 1 150 150 GLU H H 1 8.252 0.020 . 1 . . . . . 149 GLU H . 27612 1 1403 . 1 1 150 150 GLU HA H 1 3.805 0.020 . 1 . . . . . 149 GLU HA . 27612 1 1404 . 1 1 150 150 GLU HB2 H 1 2.459 0.020 . 1 . . . . . 149 GLU HB2 . 27612 1 1405 . 1 1 150 150 GLU HB3 H 1 2.459 0.020 . 1 . . . . . 149 GLU HB3 . 27612 1 1406 . 1 1 150 150 GLU HG2 H 1 1.991 0.020 . 1 . . . . . 149 GLU HG2 . 27612 1 1407 . 1 1 150 150 GLU HG3 H 1 1.991 0.020 . 1 . . . . . 149 GLU HG3 . 27612 1 1408 . 1 1 150 150 GLU CA C 13 60.197 0.3 . 1 . . . . . 149 GLU CA . 27612 1 1409 . 1 1 150 150 GLU CB C 13 30.290 0.3 . 1 . . . . . 149 GLU CB . 27612 1 1410 . 1 1 150 150 GLU CG C 13 35.182 0.3 . 1 . . . . . 149 GLU CG . 27612 1 1411 . 1 1 150 150 GLU N N 15 121.392 0.3 . 1 . . . . . 149 GLU N . 27612 1 1412 . 1 1 151 151 GLN H H 1 7.559 0.020 . 1 . . . . . 150 GLN H . 27612 1 1413 . 1 1 151 151 GLN HA H 1 4.025 0.020 . 1 . . . . . 150 GLN HA . 27612 1 1414 . 1 1 151 151 GLN HB2 H 1 2.233 0.020 . 1 . . . . . 150 GLN HB2 . 27612 1 1415 . 1 1 151 151 GLN HG2 H 1 2.497 0.020 . 1 . . . . . 150 GLN HG2 . 27612 1 1416 . 1 1 151 151 GLN HG3 H 1 2.497 0.020 . 1 . . . . . 150 GLN HG3 . 27612 1 1417 . 1 1 151 151 GLN CA C 13 58.555 0.3 . 1 . . . . . 150 GLN CA . 27612 1 1418 . 1 1 151 151 GLN CB C 13 28.259 0.3 . 1 . . . . . 150 GLN CB . 27612 1 1419 . 1 1 151 151 GLN CG C 13 33.469 0.3 . 1 . . . . . 150 GLN CG . 27612 1 1420 . 1 1 151 151 GLN N N 15 116.704 0.3 . 1 . . . . . 150 GLN N . 27612 1 1421 . 1 1 152 152 LYS H H 1 7.896 0.020 . 1 . . . . . 151 LYS H . 27612 1 1422 . 1 1 152 152 LYS HA H 1 4.075 0.020 . 1 . . . . . 151 LYS HA . 27612 1 1423 . 1 1 152 152 LYS HB2 H 1 1.945 0.020 . 2 . . . . . 151 LYS HB2 . 27612 1 1424 . 1 1 152 152 LYS HB3 H 1 1.767 0.020 . 2 . . . . . 151 LYS HB3 . 27612 1 1425 . 1 1 152 152 LYS HG2 H 1 1.431 0.020 . 1 . . . . . 151 LYS HG2 . 27612 1 1426 . 1 1 152 152 LYS HG3 H 1 1.431 0.020 . 1 . . . . . 151 LYS HG3 . 27612 1 1427 . 1 1 152 152 LYS HD2 H 1 1.679 0.020 . 1 . . . . . 151 LYS HD2 . 27612 1 1428 . 1 1 152 152 LYS HD3 H 1 1.679 0.020 . 1 . . . . . 151 LYS HD3 . 27612 1 1429 . 1 1 152 152 LYS HE2 H 1 2.783 0.020 . 1 . . . . . 151 LYS HE2 . 27612 1 1430 . 1 1 152 152 LYS HE3 H 1 2.783 0.020 . 1 . . . . . 151 LYS HE3 . 27612 1 1431 . 1 1 152 152 LYS CA C 13 60.035 0.3 . 1 . . . . . 151 LYS CA . 27612 1 1432 . 1 1 152 152 LYS CB C 13 33.116 0.3 . 1 . . . . . 151 LYS CB . 27612 1 1433 . 1 1 152 152 LYS CG C 13 25.331 0.3 . 1 . . . . . 151 LYS CG . 27612 1 1434 . 1 1 152 152 LYS CD C 13 29.319 0.3 . 1 . . . . . 151 LYS CD . 27612 1 1435 . 1 1 152 152 LYS CE C 13 41.843 0.3 . 1 . . . . . 151 LYS CE . 27612 1 1436 . 1 1 152 152 LYS N N 15 121.693 0.3 . 1 . . . . . 151 LYS N . 27612 1 1437 . 1 1 153 153 ILE H H 1 8.631 0.020 . 1 . . . . . 152 ILE H . 27612 1 1438 . 1 1 153 153 ILE HA H 1 3.422 0.020 . 1 . . . . . 152 ILE HA . 27612 1 1439 . 1 1 153 153 ILE HB H 1 1.854 0.020 . 1 . . . . . 152 ILE HB . 27612 1 1440 . 1 1 153 153 ILE HG12 H 1 1.904 0.020 . 2 . . . . . 152 ILE HG12 . 27612 1 1441 . 1 1 153 153 ILE HG13 H 1 0.809 0.020 . 2 . . . . . 152 ILE HG13 . 27612 1 1442 . 1 1 153 153 ILE HG21 H 1 0.840 0.020 . 1 . . . . . 152 ILE HG2 . 27612 1 1443 . 1 1 153 153 ILE HG22 H 1 0.840 0.020 . 1 . . . . . 152 ILE HG2 . 27612 1 1444 . 1 1 153 153 ILE HG23 H 1 0.840 0.020 . 1 . . . . . 152 ILE HG2 . 27612 1 1445 . 1 1 153 153 ILE HD11 H 1 0.942 0.020 . 1 . . . . . 152 ILE HD1 . 27612 1 1446 . 1 1 153 153 ILE HD12 H 1 0.942 0.020 . 1 . . . . . 152 ILE HD1 . 27612 1 1447 . 1 1 153 153 ILE HD13 H 1 0.942 0.020 . 1 . . . . . 152 ILE HD1 . 27612 1 1448 . 1 1 153 153 ILE CA C 13 65.140 0.3 . 1 . . . . . 152 ILE CA . 27612 1 1449 . 1 1 153 153 ILE CB C 13 38.940 0.3 . 1 . . . . . 152 ILE CB . 27612 1 1450 . 1 1 153 153 ILE CG1 C 13 28.857 0.3 . 1 . . . . . 152 ILE CG1 . 27612 1 1451 . 1 1 153 153 ILE CG2 C 13 18.127 0.3 . 1 . . . . . 152 ILE CG2 . 27612 1 1452 . 1 1 153 153 ILE CD1 C 13 14.291 0.3 . 1 . . . . . 152 ILE CD1 . 27612 1 1453 . 1 1 153 153 ILE N N 15 119.985 0.3 . 1 . . . . . 152 ILE N . 27612 1 1454 . 1 1 154 154 LYS H H 1 8.336 0.020 . 1 . . . . . 153 LYS H . 27612 1 1455 . 1 1 154 154 LYS HA H 1 3.749 0.020 . 1 . . . . . 153 LYS HA . 27612 1 1456 . 1 1 154 154 LYS HB2 H 1 1.901 0.020 . 1 . . . . . 153 LYS HB2 . 27612 1 1457 . 1 1 154 154 LYS HB3 H 1 1.901 0.020 . 1 . . . . . 153 LYS HB3 . 27612 1 1458 . 1 1 154 154 LYS HG2 H 1 1.677 0.020 . 1 . . . . . 153 LYS HG2 . 27612 1 1459 . 1 1 154 154 LYS HG3 H 1 1.677 0.020 . 1 . . . . . 153 LYS HG3 . 27612 1 1460 . 1 1 154 154 LYS HD2 H 1 1.655 0.020 . 1 . . . . . 153 LYS HD2 . 27612 1 1461 . 1 1 154 154 LYS HD3 H 1 1.655 0.020 . 1 . . . . . 153 LYS HD3 . 27612 1 1462 . 1 1 154 154 LYS HE2 H 1 2.879 0.020 . 1 . . . . . 153 LYS HE2 . 27612 1 1463 . 1 1 154 154 LYS HE3 H 1 2.879 0.020 . 1 . . . . . 153 LYS HE3 . 27612 1 1464 . 1 1 154 154 LYS CA C 13 60.777 0.3 . 1 . . . . . 153 LYS CA . 27612 1 1465 . 1 1 154 154 LYS CB C 13 32.376 0.3 . 1 . . . . . 153 LYS CB . 27612 1 1466 . 1 1 154 154 LYS CG C 13 26.053 0.3 . 1 . . . . . 153 LYS CG . 27612 1 1467 . 1 1 154 154 LYS CD C 13 29.492 0.3 . 1 . . . . . 153 LYS CD . 27612 1 1468 . 1 1 154 154 LYS CE C 13 41.889 0.3 . 1 . . . . . 153 LYS CE . 27612 1 1469 . 1 1 154 154 LYS N N 15 119.530 0.3 . 1 . . . . . 153 LYS N . 27612 1 1470 . 1 1 155 155 THR H H 1 8.013 0.020 . 1 . . . . . 154 THR H . 27612 1 1471 . 1 1 155 155 THR HA H 1 3.868 0.020 . 1 . . . . . 154 THR HA . 27612 1 1472 . 1 1 155 155 THR HB H 1 4.262 0.020 . 1 . . . . . 154 THR HB . 27612 1 1473 . 1 1 155 155 THR HG21 H 1 1.229 0.020 . 1 . . . . . 154 THR HG2 . 27612 1 1474 . 1 1 155 155 THR HG22 H 1 1.229 0.020 . 1 . . . . . 154 THR HG2 . 27612 1 1475 . 1 1 155 155 THR HG23 H 1 1.229 0.020 . 1 . . . . . 154 THR HG2 . 27612 1 1476 . 1 1 155 155 THR CA C 13 67.164 0.3 . 1 . . . . . 154 THR CA . 27612 1 1477 . 1 1 155 155 THR CB C 13 68.850 0.3 . 1 . . . . . 154 THR CB . 27612 1 1478 . 1 1 155 155 THR CG2 C 13 21.402 0.3 . 1 . . . . . 154 THR CG2 . 27612 1 1479 . 1 1 155 155 THR N N 15 116.031 0.3 . 1 . . . . . 154 THR N . 27612 1 1480 . 1 1 156 156 VAL H H 1 7.311 0.020 . 1 . . . . . 155 VAL H . 27612 1 1481 . 1 1 156 156 VAL HA H 1 3.605 0.020 . 1 . . . . . 155 VAL HA . 27612 1 1482 . 1 1 156 156 VAL HB H 1 2.059 0.020 . 1 . . . . . 155 VAL HB . 27612 1 1483 . 1 1 156 156 VAL HG11 H 1 1.045 0.020 . 1 . . . . . 155 VAL HG1 . 27612 1 1484 . 1 1 156 156 VAL HG12 H 1 1.045 0.020 . 1 . . . . . 155 VAL HG1 . 27612 1 1485 . 1 1 156 156 VAL HG13 H 1 1.045 0.020 . 1 . . . . . 155 VAL HG1 . 27612 1 1486 . 1 1 156 156 VAL HG21 H 1 0.696 0.020 . 1 . . . . . 155 VAL HG2 . 27612 1 1487 . 1 1 156 156 VAL HG22 H 1 0.696 0.020 . 1 . . . . . 155 VAL HG2 . 27612 1 1488 . 1 1 156 156 VAL HG23 H 1 0.696 0.020 . 1 . . . . . 155 VAL HG2 . 27612 1 1489 . 1 1 156 156 VAL CA C 13 66.549 0.3 . 1 . . . . . 155 VAL CA . 27612 1 1490 . 1 1 156 156 VAL CB C 13 31.348 0.3 . 1 . . . . . 155 VAL CB . 27612 1 1491 . 1 1 156 156 VAL CG1 C 13 22.257 0.3 . 1 . . . . . 155 VAL CG1 . 27612 1 1492 . 1 1 156 156 VAL CG2 C 13 20.785 0.3 . 1 . . . . . 155 VAL CG2 . 27612 1 1493 . 1 1 156 156 VAL N N 15 122.751 0.3 . 1 . . . . . 155 VAL N . 27612 1 1494 . 1 1 157 157 LEU H H 1 8.045 0.020 . 1 . . . . . 156 LEU H . 27612 1 1495 . 1 1 157 157 LEU HA H 1 3.724 0.020 . 1 . . . . . 156 LEU HA . 27612 1 1496 . 1 1 157 157 LEU HB2 H 1 1.889 0.020 . 2 . . . . . 156 LEU HB2 . 27612 1 1497 . 1 1 157 157 LEU HB3 H 1 1.485 0.020 . 2 . . . . . 156 LEU HB3 . 27612 1 1498 . 1 1 157 157 LEU HG H 1 1.806 0.020 . 1 . . . . . 156 LEU HG . 27612 1 1499 . 1 1 157 157 LEU HD11 H 1 0.451 0.020 . 1 . . . . . 156 LEU HD1 . 27612 1 1500 . 1 1 157 157 LEU HD12 H 1 0.451 0.020 . 1 . . . . . 156 LEU HD1 . 27612 1 1501 . 1 1 157 157 LEU HD13 H 1 0.451 0.020 . 1 . . . . . 156 LEU HD1 . 27612 1 1502 . 1 1 157 157 LEU HD21 H 1 0.427 0.020 . 1 . . . . . 156 LEU HD2 . 27612 1 1503 . 1 1 157 157 LEU HD22 H 1 0.427 0.020 . 1 . . . . . 156 LEU HD2 . 27612 1 1504 . 1 1 157 157 LEU HD23 H 1 0.427 0.020 . 1 . . . . . 156 LEU HD2 . 27612 1 1505 . 1 1 157 157 LEU CA C 13 57.809 0.3 . 1 . . . . . 156 LEU CA . 27612 1 1506 . 1 1 157 157 LEU CB C 13 40.984 0.3 . 1 . . . . . 156 LEU CB . 27612 1 1507 . 1 1 157 157 LEU CG C 13 25.707 0.3 . 1 . . . . . 156 LEU CG . 27612 1 1508 . 1 1 157 157 LEU CD1 C 13 22.400 0.3 . 1 . . . . . 156 LEU CD1 . 27612 1 1509 . 1 1 157 157 LEU CD2 C 13 22.213 0.3 . 1 . . . . . 156 LEU CD2 . 27612 1 1510 . 1 1 157 157 LEU N N 15 117.959 0.3 . 1 . . . . . 156 LEU N . 27612 1 1511 . 1 1 158 158 GLN H H 1 8.169 0.020 . 1 . . . . . 157 GLN H . 27612 1 1512 . 1 1 158 158 GLN HA H 1 4.112 0.020 . 1 . . . . . 157 GLN HA . 27612 1 1513 . 1 1 158 158 GLN HB2 H 1 2.121 0.020 . 2 . . . . . 157 GLN HB2 . 27612 1 1514 . 1 1 158 158 GLN HB3 H 1 2.099 0.020 . 2 . . . . . 157 GLN HB3 . 27612 1 1515 . 1 1 158 158 GLN HG2 H 1 2.463 0.020 . 1 . . . . . 157 GLN HG2 . 27612 1 1516 . 1 1 158 158 GLN HG3 H 1 2.463 0.020 . 1 . . . . . 157 GLN HG3 . 27612 1 1517 . 1 1 158 158 GLN CA C 13 57.948 0.3 . 1 . . . . . 157 GLN CA . 27612 1 1518 . 1 1 158 158 GLN CB C 13 28.753 0.3 . 1 . . . . . 157 GLN CB . 27612 1 1519 . 1 1 158 158 GLN CG C 13 33.964 0.3 . 1 . . . . . 157 GLN CG . 27612 1 1520 . 1 1 158 158 GLN N N 15 117.883 0.3 . 1 . . . . . 157 GLN N . 27612 1 1521 . 1 1 159 159 ASN H H 1 7.608 0.020 . 1 . . . . . 158 ASN H . 27612 1 1522 . 1 1 159 159 ASN HA H 1 4.757 0.020 . 1 . . . . . 158 ASN HA . 27612 1 1523 . 1 1 159 159 ASN HB2 H 1 2.848 0.020 . 2 . . . . . 158 ASN HB2 . 27612 1 1524 . 1 1 159 159 ASN HB3 H 1 2.731 0.020 . 2 . . . . . 158 ASN HB3 . 27612 1 1525 . 1 1 159 159 ASN CA C 13 53.797 0.3 . 1 . . . . . 158 ASN CA . 27612 1 1526 . 1 1 159 159 ASN CB C 13 39.202 0.3 . 1 . . . . . 158 ASN CB . 27612 1 1527 . 1 1 159 159 ASN N N 15 117.013 0.3 . 1 . . . . . 158 ASN N . 27612 1 1528 . 1 1 160 160 ARG H H 1 7.498 0.020 . 1 . . . . . 159 ARG H . 27612 1 1529 . 1 1 160 160 ARG HA H 1 4.128 0.020 . 1 . . . . . 159 ARG HA . 27612 1 1530 . 1 1 160 160 ARG HB2 H 1 1.739 0.020 . 1 . . . . . 159 ARG HB2 . 27612 1 1531 . 1 1 160 160 ARG HB3 H 1 1.739 0.020 . 1 . . . . . 159 ARG HB3 . 27612 1 1532 . 1 1 160 160 ARG HG2 H 1 1.547 0.020 . 1 . . . . . 159 ARG HG2 . 27612 1 1533 . 1 1 160 160 ARG HG3 H 1 1.547 0.020 . 1 . . . . . 159 ARG HG3 . 27612 1 1534 . 1 1 160 160 ARG HD2 H 1 2.948 0.020 . 2 . . . . . 159 ARG HD2 . 27612 1 1535 . 1 1 160 160 ARG HD3 H 1 2.879 0.020 . 2 . . . . . 159 ARG HD3 . 27612 1 1536 . 1 1 160 160 ARG CA C 13 57.491 0.3 . 1 . . . . . 159 ARG CA . 27612 1 1537 . 1 1 160 160 ARG CB C 13 30.255 0.3 . 1 . . . . . 159 ARG CB . 27612 1 1538 . 1 1 160 160 ARG N N 15 120.210 0.3 . 1 . . . . . 159 ARG N . 27612 1 stop_ save_