data_19108 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19108 _Entry.Title ; NMR structure of human restriction factor APOBEC3A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-03-21 _Entry.Accession_date 2013-03-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 In-Ja Byeon . L. . 19108 2 Chang-Hyeock Byeon . . . 19108 3 Jinwoo Ahn . M. . 19108 4 Angela Gronenborn . M. . 19108 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19108 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID APOBEC3A . 19108 NMR . 19108 Protein . 19108 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19108 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 502 19108 '15N chemical shifts' 203 19108 '1H chemical shifts' 1146 19108 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 . . 2013-05-28 2013-03-21 update BMRB 'update entry citation' 19108 1 . . 2013-05-20 2013-03-21 original author 'original release' 19108 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M65 'BMRB Entry Tracking System' 19108 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19108 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23695684 _Citation.Full_citation . _Citation.Title 'NMR structure of human restriction factor APOBEC3A reveals substrate binding and enzyme specificity.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 4 _Citation.Journal_issue 1890 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1890 _Citation.Page_last 1890 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 In-Ja Byeon . L. . 19108 1 2 Jinwoo Ahn . . . 19108 1 3 Mithun Mitra . . . 19108 1 4 Chang-Hyeock Byeon . . . 19108 1 5 Kamil Hercik . . . 19108 1 6 Jozef Hritz . . . 19108 1 7 Lisa Charlton . M. . 19108 1 8 Judith Levin . G. . 19108 1 9 Angela Gronenborn . M. . 19108 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19108 _Assembly.ID 1 _Assembly.Name 'human restriction factor APOBEC3A' _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 . _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 'human restriction factor APOBEC3A' 1 $entity_1 A . yes native no no . . . 19108 1 2 'ZINC ION' 2 $entity_ZN B . no native no no . . . 19108 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 19108 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MEASPASGPRHLMDPHIFTS NFNNGIGRHKTYLCYEVERL DNGTSVKMDQHRGFLHNQAK NLLCGFYGRHAELRFLDLVP SLQLDPAQIYRVTWFISWSP CFSWGCAGEVRAFLQENTHV RLRIFAARIYDYDPLYKEAL QMLRDAGAQVSIMTYDEFKH CWDTFVDHQGCPFQPWDGLD EHSQALSGRLRAILQNQGN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 199 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 23041.172 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2M65 . "Nmr Structure Of Human Restriction Factor Apobec3a" . . . . . 100.00 207 100.00 100.00 2.14e-147 . . . . 19108 1 2 no PDB 4XXO . "Crystal Structure Of Human Apobec3a" . . . . . 100.00 203 98.99 98.99 1.54e-145 . . . . 19108 1 3 no DBJ BAI46227 . "apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3A [synthetic construct]" . . . . . 100.00 199 100.00 100.00 1.21e-147 . . . . 19108 1 4 no EMBL CAG30279 . "bK150C2.1 [Homo sapiens]" . . . . . 100.00 199 100.00 100.00 1.21e-147 . . . . 19108 1 5 no EMBL CAK54381 . "APOBEC3A [synthetic construct]" . . . . . 100.00 199 100.00 100.00 1.21e-147 . . . . 19108 1 6 no EMBL CAK54680 . "APOBEC3A [synthetic construct]" . . . . . 100.00 199 100.00 100.00 1.21e-147 . . . . 19108 1 7 no GB AAA03706 . "phorbolin I [Homo sapiens]" . . . . . 100.00 199 100.00 100.00 1.21e-147 . . . . 19108 1 8 no GB AAI26417 . "Apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3A [Homo sapiens]" . . . . . 100.00 199 100.00 100.00 1.21e-147 . . . . 19108 1 9 no GB ADO85886 . "apolipoprotein B mRNA editing enzyme catalytic polypeptide-like 3A [Gorilla gorilla]" . . . . . 100.00 199 96.98 98.49 2.30e-142 . . . . 19108 1 10 no GB ADR82854 . "apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3A (APOBEC3A) [synthetic construct]" . . . . . 100.00 199 100.00 100.00 1.21e-147 . . . . 19108 1 11 no GB AIC53372 . "APOBEC3A, partial [synthetic construct]" . . . . . 100.00 199 100.00 100.00 1.21e-147 . . . . 19108 1 12 no REF NP_001180218 . "probable DNA dC->dU-editing enzyme APOBEC-3A [Homo sapiens]" . . . . . 100.00 199 100.00 100.00 1.21e-147 . . . . 19108 1 13 no REF NP_663745 . "DNA dC->dU-editing enzyme APOBEC-3A isoform a [Homo sapiens]" . . . . . 100.00 199 100.00 100.00 1.21e-147 . . . . 19108 1 14 no REF XP_001149270 . "PREDICTED: DNA dC->dU-editing enzyme APOBEC-3A [Pan troglodytes]" . . . . . 93.97 187 98.40 99.47 5.71e-136 . . . . 19108 1 15 no REF XP_011545340 . "PREDICTED: probable DNA dC->dU-editing enzyme APOBEC-3A isoform X1 [Homo sapiens]" . . . . . 78.89 207 100.00 100.00 1.92e-113 . . . . 19108 1 16 no REF XP_011545341 . "PREDICTED: probable DNA dC->dU-editing enzyme APOBEC-3A isoform X1 [Homo sapiens]" . . . . . 78.89 207 100.00 100.00 1.92e-113 . . . . 19108 1 17 no SP P31941 . "RecName: Full=DNA dC->dU-editing enzyme APOBEC-3A; Short=A3A; AltName: Full=Phorbolin-1" . . . . . 100.00 199 100.00 100.00 1.21e-147 . . . . 19108 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 19108 1 2 . GLU . 19108 1 3 . ALA . 19108 1 4 . SER . 19108 1 5 . PRO . 19108 1 6 . ALA . 19108 1 7 . SER . 19108 1 8 . GLY . 19108 1 9 . PRO . 19108 1 10 . ARG . 19108 1 11 . HIS . 19108 1 12 . LEU . 19108 1 13 . MET . 19108 1 14 . ASP . 19108 1 15 . PRO . 19108 1 16 . HIS . 19108 1 17 . ILE . 19108 1 18 . PHE . 19108 1 19 . THR . 19108 1 20 . SER . 19108 1 21 . ASN . 19108 1 22 . PHE . 19108 1 23 . ASN . 19108 1 24 . ASN . 19108 1 25 . GLY . 19108 1 26 . ILE . 19108 1 27 . GLY . 19108 1 28 . ARG . 19108 1 29 . HIS . 19108 1 30 . LYS . 19108 1 31 . THR . 19108 1 32 . TYR . 19108 1 33 . LEU . 19108 1 34 . CYS . 19108 1 35 . TYR . 19108 1 36 . GLU . 19108 1 37 . VAL . 19108 1 38 . GLU . 19108 1 39 . ARG . 19108 1 40 . LEU . 19108 1 41 . ASP . 19108 1 42 . ASN . 19108 1 43 . GLY . 19108 1 44 . THR . 19108 1 45 . SER . 19108 1 46 . VAL . 19108 1 47 . LYS . 19108 1 48 . MET . 19108 1 49 . ASP . 19108 1 50 . GLN . 19108 1 51 . HIS . 19108 1 52 . ARG . 19108 1 53 . GLY . 19108 1 54 . PHE . 19108 1 55 . LEU . 19108 1 56 . HIS . 19108 1 57 . ASN . 19108 1 58 . GLN . 19108 1 59 . ALA . 19108 1 60 . LYS . 19108 1 61 . ASN . 19108 1 62 . LEU . 19108 1 63 . LEU . 19108 1 64 . CYS . 19108 1 65 . GLY . 19108 1 66 . PHE . 19108 1 67 . TYR . 19108 1 68 . GLY . 19108 1 69 . ARG . 19108 1 70 . HIS . 19108 1 71 . ALA . 19108 1 72 . GLU . 19108 1 73 . LEU . 19108 1 74 . ARG . 19108 1 75 . PHE . 19108 1 76 . LEU . 19108 1 77 . ASP . 19108 1 78 . LEU . 19108 1 79 . VAL . 19108 1 80 . PRO . 19108 1 81 . SER . 19108 1 82 . LEU . 19108 1 83 . GLN . 19108 1 84 . LEU . 19108 1 85 . ASP . 19108 1 86 . PRO . 19108 1 87 . ALA . 19108 1 88 . GLN . 19108 1 89 . ILE . 19108 1 90 . TYR . 19108 1 91 . ARG . 19108 1 92 . VAL . 19108 1 93 . THR . 19108 1 94 . TRP . 19108 1 95 . PHE . 19108 1 96 . ILE . 19108 1 97 . SER . 19108 1 98 . TRP . 19108 1 99 . SER . 19108 1 100 . PRO . 19108 1 101 . CYS . 19108 1 102 . PHE . 19108 1 103 . SER . 19108 1 104 . TRP . 19108 1 105 . GLY . 19108 1 106 . CYS . 19108 1 107 . ALA . 19108 1 108 . GLY . 19108 1 109 . GLU . 19108 1 110 . VAL . 19108 1 111 . ARG . 19108 1 112 . ALA . 19108 1 113 . PHE . 19108 1 114 . LEU . 19108 1 115 . GLN . 19108 1 116 . GLU . 19108 1 117 . ASN . 19108 1 118 . THR . 19108 1 119 . HIS . 19108 1 120 . VAL . 19108 1 121 . ARG . 19108 1 122 . LEU . 19108 1 123 . ARG . 19108 1 124 . ILE . 19108 1 125 . PHE . 19108 1 126 . ALA . 19108 1 127 . ALA . 19108 1 128 . ARG . 19108 1 129 . ILE . 19108 1 130 . TYR . 19108 1 131 . ASP . 19108 1 132 . TYR . 19108 1 133 . ASP . 19108 1 134 . PRO . 19108 1 135 . LEU . 19108 1 136 . TYR . 19108 1 137 . LYS . 19108 1 138 . GLU . 19108 1 139 . ALA . 19108 1 140 . LEU . 19108 1 141 . GLN . 19108 1 142 . MET . 19108 1 143 . LEU . 19108 1 144 . ARG . 19108 1 145 . ASP . 19108 1 146 . ALA . 19108 1 147 . GLY . 19108 1 148 . ALA . 19108 1 149 . GLN . 19108 1 150 . VAL . 19108 1 151 . SER . 19108 1 152 . ILE . 19108 1 153 . MET . 19108 1 154 . THR . 19108 1 155 . TYR . 19108 1 156 . ASP . 19108 1 157 . GLU . 19108 1 158 . PHE . 19108 1 159 . LYS . 19108 1 160 . HIS . 19108 1 161 . CYS . 19108 1 162 . TRP . 19108 1 163 . ASP . 19108 1 164 . THR . 19108 1 165 . PHE . 19108 1 166 . VAL . 19108 1 167 . ASP . 19108 1 168 . HIS . 19108 1 169 . GLN . 19108 1 170 . GLY . 19108 1 171 . CYS . 19108 1 172 . PRO . 19108 1 173 . PHE . 19108 1 174 . GLN . 19108 1 175 . PRO . 19108 1 176 . TRP . 19108 1 177 . ASP . 19108 1 178 . GLY . 19108 1 179 . LEU . 19108 1 180 . ASP . 19108 1 181 . GLU . 19108 1 182 . HIS . 19108 1 183 . SER . 19108 1 184 . GLN . 19108 1 185 . ALA . 19108 1 186 . LEU . 19108 1 187 . SER . 19108 1 188 . GLY . 19108 1 189 . ARG . 19108 1 190 . LEU . 19108 1 191 . ARG . 19108 1 192 . ALA . 19108 1 193 . ILE . 19108 1 194 . LEU . 19108 1 195 . GLN . 19108 1 196 . ASN . 19108 1 197 . GLN . 19108 1 198 . GLY . 19108 1 199 . ASN . 19108 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 19108 1 . GLU 2 2 19108 1 . ALA 3 3 19108 1 . SER 4 4 19108 1 . PRO 5 5 19108 1 . ALA 6 6 19108 1 . SER 7 7 19108 1 . GLY 8 8 19108 1 . PRO 9 9 19108 1 . ARG 10 10 19108 1 . HIS 11 11 19108 1 . LEU 12 12 19108 1 . MET 13 13 19108 1 . ASP 14 14 19108 1 . PRO 15 15 19108 1 . HIS 16 16 19108 1 . ILE 17 17 19108 1 . PHE 18 18 19108 1 . THR 19 19 19108 1 . SER 20 20 19108 1 . ASN 21 21 19108 1 . PHE 22 22 19108 1 . ASN 23 23 19108 1 . ASN 24 24 19108 1 . GLY 25 25 19108 1 . ILE 26 26 19108 1 . GLY 27 27 19108 1 . ARG 28 28 19108 1 . HIS 29 29 19108 1 . LYS 30 30 19108 1 . THR 31 31 19108 1 . TYR 32 32 19108 1 . LEU 33 33 19108 1 . CYS 34 34 19108 1 . TYR 35 35 19108 1 . GLU 36 36 19108 1 . VAL 37 37 19108 1 . GLU 38 38 19108 1 . ARG 39 39 19108 1 . LEU 40 40 19108 1 . ASP 41 41 19108 1 . ASN 42 42 19108 1 . GLY 43 43 19108 1 . THR 44 44 19108 1 . SER 45 45 19108 1 . VAL 46 46 19108 1 . LYS 47 47 19108 1 . MET 48 48 19108 1 . ASP 49 49 19108 1 . GLN 50 50 19108 1 . HIS 51 51 19108 1 . ARG 52 52 19108 1 . GLY 53 53 19108 1 . PHE 54 54 19108 1 . LEU 55 55 19108 1 . HIS 56 56 19108 1 . ASN 57 57 19108 1 . GLN 58 58 19108 1 . ALA 59 59 19108 1 . LYS 60 60 19108 1 . ASN 61 61 19108 1 . LEU 62 62 19108 1 . LEU 63 63 19108 1 . CYS 64 64 19108 1 . GLY 65 65 19108 1 . PHE 66 66 19108 1 . TYR 67 67 19108 1 . GLY 68 68 19108 1 . ARG 69 69 19108 1 . HIS 70 70 19108 1 . ALA 71 71 19108 1 . GLU 72 72 19108 1 . LEU 73 73 19108 1 . ARG 74 74 19108 1 . PHE 75 75 19108 1 . LEU 76 76 19108 1 . ASP 77 77 19108 1 . LEU 78 78 19108 1 . VAL 79 79 19108 1 . PRO 80 80 19108 1 . SER 81 81 19108 1 . LEU 82 82 19108 1 . GLN 83 83 19108 1 . LEU 84 84 19108 1 . ASP 85 85 19108 1 . PRO 86 86 19108 1 . ALA 87 87 19108 1 . GLN 88 88 19108 1 . ILE 89 89 19108 1 . TYR 90 90 19108 1 . ARG 91 91 19108 1 . VAL 92 92 19108 1 . THR 93 93 19108 1 . TRP 94 94 19108 1 . PHE 95 95 19108 1 . ILE 96 96 19108 1 . SER 97 97 19108 1 . TRP 98 98 19108 1 . SER 99 99 19108 1 . PRO 100 100 19108 1 . CYS 101 101 19108 1 . PHE 102 102 19108 1 . SER 103 103 19108 1 . TRP 104 104 19108 1 . GLY 105 105 19108 1 . CYS 106 106 19108 1 . ALA 107 107 19108 1 . GLY 108 108 19108 1 . GLU 109 109 19108 1 . VAL 110 110 19108 1 . ARG 111 111 19108 1 . ALA 112 112 19108 1 . PHE 113 113 19108 1 . LEU 114 114 19108 1 . GLN 115 115 19108 1 . GLU 116 116 19108 1 . ASN 117 117 19108 1 . THR 118 118 19108 1 . HIS 119 119 19108 1 . VAL 120 120 19108 1 . ARG 121 121 19108 1 . LEU 122 122 19108 1 . ARG 123 123 19108 1 . ILE 124 124 19108 1 . PHE 125 125 19108 1 . ALA 126 126 19108 1 . ALA 127 127 19108 1 . ARG 128 128 19108 1 . ILE 129 129 19108 1 . TYR 130 130 19108 1 . ASP 131 131 19108 1 . TYR 132 132 19108 1 . ASP 133 133 19108 1 . PRO 134 134 19108 1 . LEU 135 135 19108 1 . TYR 136 136 19108 1 . LYS 137 137 19108 1 . GLU 138 138 19108 1 . ALA 139 139 19108 1 . LEU 140 140 19108 1 . GLN 141 141 19108 1 . MET 142 142 19108 1 . LEU 143 143 19108 1 . ARG 144 144 19108 1 . ASP 145 145 19108 1 . ALA 146 146 19108 1 . GLY 147 147 19108 1 . ALA 148 148 19108 1 . GLN 149 149 19108 1 . VAL 150 150 19108 1 . SER 151 151 19108 1 . ILE 152 152 19108 1 . MET 153 153 19108 1 . THR 154 154 19108 1 . TYR 155 155 19108 1 . ASP 156 156 19108 1 . GLU 157 157 19108 1 . PHE 158 158 19108 1 . LYS 159 159 19108 1 . HIS 160 160 19108 1 . CYS 161 161 19108 1 . TRP 162 162 19108 1 . ASP 163 163 19108 1 . THR 164 164 19108 1 . PHE 165 165 19108 1 . VAL 166 166 19108 1 . ASP 167 167 19108 1 . HIS 168 168 19108 1 . GLN 169 169 19108 1 . GLY 170 170 19108 1 . CYS 171 171 19108 1 . PRO 172 172 19108 1 . PHE 173 173 19108 1 . GLN 174 174 19108 1 . PRO 175 175 19108 1 . TRP 176 176 19108 1 . ASP 177 177 19108 1 . GLY 178 178 19108 1 . LEU 179 179 19108 1 . ASP 180 180 19108 1 . GLU 181 181 19108 1 . HIS 182 182 19108 1 . SER 183 183 19108 1 . GLN 184 184 19108 1 . ALA 185 185 19108 1 . LEU 186 186 19108 1 . SER 187 187 19108 1 . GLY 188 188 19108 1 . ARG 189 189 19108 1 . LEU 190 190 19108 1 . ARG 191 191 19108 1 . ALA 192 192 19108 1 . ILE 193 193 19108 1 . LEU 194 194 19108 1 . GLN 195 195 19108 1 . ASN 196 196 19108 1 . GLN 197 197 19108 1 . GLY 198 198 19108 1 . ASN 199 199 19108 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 19108 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _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 ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _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 65.409 _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 'ZINC ION' BMRB 19108 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 19108 2 ZN 'Three letter code' 19108 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 ZN $chem_comp_ZN 19108 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 19108 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 19108 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19108 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 19108 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21 . . . . . . 19108 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 19108 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _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 ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _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/Zn/q+2 InChI InChI 1.03 19108 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 19108 ZN [Zn++] SMILES CACTVS 3.341 19108 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 19108 ZN [Zn+2] SMILES ACDLabs 10.04 19108 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 19108 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19108 ZN 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 zinc 'SYSTEMATIC NAME' ACDLabs 10.04 19108 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19108 ZN 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 ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 19108 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19108 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C,15N-APOBEC3A at pH 6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 APOBEC3A '[U-13C; U-15N]' . . 1 $entity_1 . . . . . mM . . . . 19108 1 2 'ZINC ION' 'natural abundance' . . 2 $entity_ZN . . . . . mM . . . . 19108 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19108 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C,15N-APOBEC3A at pH 6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 APOBEC3A '[U-13C; U-15N]' . . 1 $entity_1 . . . . . mM . . . . 19108 2 2 'ZINC ION' 'natural abundance' . . 2 $entity_ZN . . . . . mM . . . . 19108 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19108 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C,15N-APOBEC3A at pH 6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 APOBEC3A '[U-13C; U-15N]' . . 1 $entity_1 . . . . . mM . . . . 19108 3 2 'ZINC ION' 'natural abundance' . . 2 $entity_ZN . . . . . mM . . . . 19108 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 19108 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C,15N-APOBEC3A at pH 6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 APOBEC3A '[U-13C; U-15N]' . . 1 $entity_1 . . . . . mM . . . . 19108 4 2 'ZINC ION' 'natural abundance' . . 2 $entity_ZN . . . . . mM . . . . 19108 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 19108 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C,15N-APOBEC3A at pH 6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 APOBEC3A '[U-13C; U-15N]' . . 1 $entity_1 . . . . . mM . . . . 19108 5 2 'ZINC ION' 'natural abundance' . . 2 $entity_ZN . . . . . mM . . . . 19108 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 19108 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C,15N-APOBEC3A at pH 6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 APOBEC3A '[U-13C; U-15N]' . . 1 $entity_1 . . . . . mM . . . . 19108 6 2 'ZINC ION' 'natural abundance' . . 2 $entity_ZN . . . . . mM . . . . 19108 6 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 19108 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 19108 1 pressure 1 . atm 19108 1 temperature . . K 19108 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 19108 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 19108 2 pressure 1 . atm 19108 2 temperature . . K 19108 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 19108 _Sample_condition_list.ID 3 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 19108 3 pressure 1 . atm 19108 3 temperature . . K 19108 3 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19108 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.3 _Software.Details . 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 19108 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19108 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19108 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 19108 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 19108 _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 . 900 . . . 19108 1 2 spectrometer_2 Bruker Avance . 800 . . . 19108 1 3 spectrometer_3 Bruker Avance . 700 . . . 19108 1 4 spectrometer_4 Bruker Avance . 600 . . . 19108 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 19108 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19108 1 2 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19108 1 3 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19108 1 4 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19108 1 5 '3D HN(CO)CACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19108 1 6 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19108 1 7 '3D simulaneous 1H-13C and 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19108 1 8 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 19108 1 9 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 19108 1 10 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 19108 1 11 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 19108 1 12 '3D simultaneous 1H-13C and 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 19108 1 13 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . . . . . . . . . . . . . . . . . . . 19108 1 14 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . . . . . . . . . . . . . . . . . . . 19108 1 15 '3D simulaneous 1H-13C and 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . . . . . . . . . . . . . . . . . . . 19108 1 16 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19108 1 17 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19108 1 18 '3D HN(CO)CACB' no 1 $NMR_spectrometer_expt . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19108 1 19 '3D simultaneous 1H-13C and 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19108 1 20 '2D 1H-13C HSQC aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19108 1 21 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19108 1 22 '3D simultaneous 1H-13C and 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19108 1 23 '2D 1H-13C HSQC aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19108 1 24 '2D 1H-1H NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19108 1 25 '2D 1H-1H TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19108 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19108 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $TOPSPIN _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19108 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19108 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19108 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19108 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 19108 _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' . . . 19108 1 2 '3D HNCA' . . . 19108 1 3 '3D HN(CO)CA' . . . 19108 1 4 '3D HNCACB' . . . 19108 1 5 '3D HN(CO)CACB' . . . 19108 1 6 '3D HCCH-TOCSY' . . . 19108 1 7 '3D simulaneous 1H-13C and 1H-15N NOESY' . . . 19108 1 16 '2D 1H-15N HSQC' . . . 19108 1 17 '3D HNCACB' . . . 19108 1 18 '3D HN(CO)CACB' . . . 19108 1 19 '3D simultaneous 1H-13C and 1H-15N NOESY' . . . 19108 1 20 '2D 1H-13C HSQC aliphatic' . . . 19108 1 21 '2D 1H-15N HSQC' . . . 19108 1 22 '3D simultaneous 1H-13C and 1H-15N NOESY' . . . 19108 1 23 '2D 1H-13C HSQC aliphatic' . . . 19108 1 24 '2D 1H-1H NOESY' . . . 19108 1 25 '2D 1H-1H TOCSY' . . . 19108 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.097 . . . . . . A 1 MET HA . 19108 1 2 . 1 1 1 1 MET HB3 H 1 2.148 . . . . . . A 1 MET HB3 . 19108 1 3 . 1 1 1 1 MET HG3 H 1 2.613 . . . . . . A 1 MET HG3 . 19108 1 4 . 1 1 1 1 MET CA C 13 55.208 . . . . . . A 1 MET CA . 19108 1 5 . 1 1 1 1 MET CB C 13 33.214 . . . . . . A 1 MET CB . 19108 1 6 . 1 1 1 1 MET CG C 13 30.850 . . . . . . A 1 MET CG . 19108 1 7 . 1 1 2 2 GLU HA H 1 4.374 . . . . . . A 2 GLU HA . 19108 1 8 . 1 1 2 2 GLU HB2 H 1 1.955 . . . . . . A 2 GLU HB2 . 19108 1 9 . 1 1 2 2 GLU HB3 H 1 2.081 . . . . . . A 2 GLU HB3 . 19108 1 10 . 1 1 2 2 GLU HG3 H 1 2.309 . . . . . . A 2 GLU HG3 . 19108 1 11 . 1 1 2 2 GLU CA C 13 56.348 . . . . . . A 2 GLU CA . 19108 1 12 . 1 1 2 2 GLU CB C 13 30.453 . . . . . . A 2 GLU CB . 19108 1 13 . 1 1 2 2 GLU CG C 13 36.183 . . . . . . A 2 GLU CG . 19108 1 14 . 1 1 3 3 ALA H H 1 8.526 . . . . . . A 3 ALA H . 19108 1 15 . 1 1 3 3 ALA HA H 1 4.350 . . . . . . A 3 ALA HA . 19108 1 16 . 1 1 3 3 ALA HB1 H 1 1.399 . . . . . . A 3 ALA HB1 . 19108 1 17 . 1 1 3 3 ALA HB2 H 1 1.399 . . . . . . A 3 ALA HB2 . 19108 1 18 . 1 1 3 3 ALA HB3 H 1 1.399 . . . . . . A 3 ALA HB3 . 19108 1 19 . 1 1 3 3 ALA CA C 13 52.407 . . . . . . A 3 ALA CA . 19108 1 20 . 1 1 3 3 ALA CB C 13 19.580 . . . . . . A 3 ALA CB . 19108 1 21 . 1 1 3 3 ALA N N 15 125.932 . . . . . . A 3 ALA N . 19108 1 22 . 1 1 4 4 SER H H 1 8.397 . . . . . . A 4 SER H . 19108 1 23 . 1 1 4 4 SER HA H 1 4.766 . . . . . . A 4 SER HA . 19108 1 24 . 1 1 4 4 SER HB2 H 1 3.840 . . . . . . A 4 SER HB2 . 19108 1 25 . 1 1 4 4 SER HB3 H 1 3.881 . . . . . . A 4 SER HB3 . 19108 1 26 . 1 1 4 4 SER CA C 13 56.283 . . . . . . A 4 SER CA . 19108 1 27 . 1 1 4 4 SER CB C 13 63.278 . . . . . . A 4 SER CB . 19108 1 28 . 1 1 4 4 SER N N 15 116.729 . . . . . . A 4 SER N . 19108 1 29 . 1 1 5 5 PRO HA H 1 4.446 . . . . . . A 5 PRO HA . 19108 1 30 . 1 1 5 5 PRO HB2 H 1 1.954 . . . . . . A 5 PRO HB2 . 19108 1 31 . 1 1 5 5 PRO HB3 H 1 2.316 . . . . . . A 5 PRO HB3 . 19108 1 32 . 1 1 5 5 PRO HG2 H 1 1.879 . . . . . . A 5 PRO HG2 . 19108 1 33 . 1 1 5 5 PRO HG3 H 1 2.021 . . . . . . A 5 PRO HG3 . 19108 1 34 . 1 1 5 5 PRO HD2 H 1 3.725 . . . . . . A 5 PRO HD2 . 19108 1 35 . 1 1 5 5 PRO HD3 H 1 3.825 . . . . . . A 5 PRO HD3 . 19108 1 36 . 1 1 5 5 PRO CA C 13 63.306 . . . . . . A 5 PRO CA . 19108 1 37 . 1 1 5 5 PRO CB C 13 32.097 . . . . . . A 5 PRO CB . 19108 1 38 . 1 1 5 5 PRO CG C 13 27.356 . . . . . . A 5 PRO CG . 19108 1 39 . 1 1 5 5 PRO CD C 13 50.856 . . . . . . A 5 PRO CD . 19108 1 40 . 1 1 6 6 ALA H H 1 8.411 . . . . . . A 6 ALA H . 19108 1 41 . 1 1 6 6 ALA HA H 1 4.333 . . . . . . A 6 ALA HA . 19108 1 42 . 1 1 6 6 ALA HB1 H 1 1.397 . . . . . . A 6 ALA HB1 . 19108 1 43 . 1 1 6 6 ALA HB2 H 1 1.397 . . . . . . A 6 ALA HB2 . 19108 1 44 . 1 1 6 6 ALA HB3 H 1 1.397 . . . . . . A 6 ALA HB3 . 19108 1 45 . 1 1 6 6 ALA CA C 13 52.563 . . . . . . A 6 ALA CA . 19108 1 46 . 1 1 6 6 ALA CB C 13 19.334 . . . . . . A 6 ALA CB . 19108 1 47 . 1 1 6 6 ALA N N 15 124.236 . . . . . . A 6 ALA N . 19108 1 48 . 1 1 7 7 SER H H 1 8.195 . . . . . . A 7 SER H . 19108 1 49 . 1 1 7 7 SER HA H 1 4.475 . . . . . . A 7 SER HA . 19108 1 50 . 1 1 7 7 SER HB2 H 1 3.858 . . . . . . A 7 SER HB2 . 19108 1 51 . 1 1 7 7 SER HB3 H 1 3.895 . . . . . . A 7 SER HB3 . 19108 1 52 . 1 1 7 7 SER CA C 13 58.258 . . . . . . A 7 SER CA . 19108 1 53 . 1 1 7 7 SER CB C 13 64.174 . . . . . . A 7 SER CB . 19108 1 54 . 1 1 7 7 SER N N 15 114.497 . . . . . . A 7 SER N . 19108 1 55 . 1 1 8 8 GLY H H 1 8.226 . . . . . . A 8 GLY H . 19108 1 56 . 1 1 8 8 GLY HA2 H 1 4.155 . . . . . . A 8 GLY HA2 . 19108 1 57 . 1 1 8 8 GLY HA3 H 1 4.185 . . . . . . A 8 GLY HA3 . 19108 1 58 . 1 1 8 8 GLY CA C 13 44.846 . . . . . . A 8 GLY CA . 19108 1 59 . 1 1 8 8 GLY N N 15 110.497 . . . . . . A 8 GLY N . 19108 1 60 . 1 1 9 9 PRO HA H 1 4.449 . . . . . . A 9 PRO HA . 19108 1 61 . 1 1 9 9 PRO HB2 H 1 1.875 . . . . . . A 9 PRO HB2 . 19108 1 62 . 1 1 9 9 PRO HB3 H 1 2.288 . . . . . . A 9 PRO HB3 . 19108 1 63 . 1 1 9 9 PRO HG3 H 1 2.024 . . . . . . A 9 PRO HG3 . 19108 1 64 . 1 1 9 9 PRO HD2 H 1 3.631 . . . . . . A 9 PRO HD2 . 19108 1 65 . 1 1 9 9 PRO HD3 H 1 3.648 . . . . . . A 9 PRO HD3 . 19108 1 66 . 1 1 9 9 PRO CA C 13 63.434 . . . . . . A 9 PRO CA . 19108 1 67 . 1 1 9 9 PRO CB C 13 32.193 . . . . . . A 9 PRO CB . 19108 1 68 . 1 1 9 9 PRO CG C 13 27.314 . . . . . . A 9 PRO CG . 19108 1 69 . 1 1 9 9 PRO CD C 13 49.877 . . . . . . A 9 PRO CD . 19108 1 70 . 1 1 10 10 ARG H H 1 8.469 . . . . . . A 10 ARG H . 19108 1 71 . 1 1 10 10 ARG HA H 1 4.341 . . . . . . A 10 ARG HA . 19108 1 72 . 1 1 10 10 ARG HB2 H 1 1.744 . . . . . . A 10 ARG HB2 . 19108 1 73 . 1 1 10 10 ARG HB3 H 1 1.853 . . . . . . A 10 ARG HB3 . 19108 1 74 . 1 1 10 10 ARG HG2 H 1 1.639 . . . . . . A 10 ARG HG2 . 19108 1 75 . 1 1 10 10 ARG HG3 H 1 1.688 . . . . . . A 10 ARG HG3 . 19108 1 76 . 1 1 10 10 ARG HD3 H 1 3.246 . . . . . . A 10 ARG HD3 . 19108 1 77 . 1 1 10 10 ARG HE H 1 6.308 . . . . . . A 10 ARG HE . 19108 1 78 . 1 1 10 10 ARG CA C 13 56.016 . . . . . . A 10 ARG CA . 19108 1 79 . 1 1 10 10 ARG CB C 13 30.809 . . . . . . A 10 ARG CB . 19108 1 80 . 1 1 10 10 ARG CG C 13 27.229 . . . . . . A 10 ARG CG . 19108 1 81 . 1 1 10 10 ARG CD C 13 43.466 . . . . . . A 10 ARG CD . 19108 1 82 . 1 1 10 10 ARG N N 15 120.534 . . . . . . A 10 ARG N . 19108 1 83 . 1 1 11 11 HIS HA H 1 4.825 . . . . . . A 11 HIS HA . 19108 1 84 . 1 1 11 11 HIS HB2 H 1 3.138 . . . . . . A 11 HIS HB2 . 19108 1 85 . 1 1 11 11 HIS HB3 H 1 3.257 . . . . . . A 11 HIS HB3 . 19108 1 86 . 1 1 11 11 HIS CA C 13 55.461 . . . . . . A 11 HIS CA . 19108 1 87 . 1 1 11 11 HIS CB C 13 30.191 . . . . . . A 11 HIS CB . 19108 1 88 . 1 1 12 12 LEU H H 1 8.250 . . . . . . A 12 LEU H . 19108 1 89 . 1 1 12 12 LEU HB2 H 1 1.010 . . . . . . A 12 LEU HB2 . 19108 1 90 . 1 1 12 12 LEU HB3 H 1 1.459 . . . . . . A 12 LEU HB3 . 19108 1 91 . 1 1 12 12 LEU HG H 1 1.326 . . . . . . A 12 LEU HG . 19108 1 92 . 1 1 12 12 LEU HD11 H 1 0.596 . . . . . . A 12 LEU HD11 . 19108 1 93 . 1 1 12 12 LEU HD12 H 1 0.596 . . . . . . A 12 LEU HD12 . 19108 1 94 . 1 1 12 12 LEU HD13 H 1 0.596 . . . . . . A 12 LEU HD13 . 19108 1 95 . 1 1 12 12 LEU HD21 H 1 0.568 . . . . . . A 12 LEU HD21 . 19108 1 96 . 1 1 12 12 LEU HD22 H 1 0.568 . . . . . . A 12 LEU HD22 . 19108 1 97 . 1 1 12 12 LEU HD23 H 1 0.568 . . . . . . A 12 LEU HD23 . 19108 1 98 . 1 1 12 12 LEU CA C 13 53.609 . . . . . . A 12 LEU CA . 19108 1 99 . 1 1 12 12 LEU CB C 13 45.030 . . . . . . A 12 LEU CB . 19108 1 100 . 1 1 12 12 LEU CG C 13 26.309 . . . . . . A 12 LEU CG . 19108 1 101 . 1 1 12 12 LEU CD1 C 13 25.716 . . . . . . A 12 LEU CD1 . 19108 1 102 . 1 1 12 12 LEU CD2 C 13 22.565 . . . . . . A 12 LEU CD2 . 19108 1 103 . 1 1 12 12 LEU N N 15 122.284 . . . . . . A 12 LEU N . 19108 1 104 . 1 1 13 13 MET H H 1 8.955 . . . . . . A 13 MET H . 19108 1 105 . 1 1 13 13 MET HA H 1 4.038 . . . . . . A 13 MET HA . 19108 1 106 . 1 1 13 13 MET HB2 H 1 1.684 . . . . . . A 13 MET HB2 . 19108 1 107 . 1 1 13 13 MET HB3 H 1 2.064 . . . . . . A 13 MET HB3 . 19108 1 108 . 1 1 13 13 MET HG2 H 1 2.551 . . . . . . A 13 MET HG2 . 19108 1 109 . 1 1 13 13 MET HE1 H 1 1.360 . . . . . . A 13 MET HE1 . 19108 1 110 . 1 1 13 13 MET HE2 H 1 1.360 . . . . . . A 13 MET HE2 . 19108 1 111 . 1 1 13 13 MET HE3 H 1 1.360 . . . . . . A 13 MET HE3 . 19108 1 112 . 1 1 13 13 MET CA C 13 54.449 . . . . . . A 13 MET CA . 19108 1 113 . 1 1 13 13 MET CB C 13 35.015 . . . . . . A 13 MET CB . 19108 1 114 . 1 1 13 13 MET CE C 13 16.662 . . . . . . A 13 MET CE . 19108 1 115 . 1 1 13 13 MET N N 15 121.493 . . . . . . A 13 MET N . 19108 1 116 . 1 1 14 14 ASP H H 1 8.514 . . . . . . A 14 ASP H . 19108 1 117 . 1 1 14 14 ASP HA H 1 4.100 . . . . . . A 14 ASP HA . 19108 1 118 . 1 1 14 14 ASP HB2 H 1 2.043 . . . . . . A 14 ASP HB2 . 19108 1 119 . 1 1 14 14 ASP HB3 H 1 2.712 . . . . . . A 14 ASP HB3 . 19108 1 120 . 1 1 14 14 ASP CA C 13 52.456 . . . . . . A 14 ASP CA . 19108 1 121 . 1 1 14 14 ASP CB C 13 42.510 . . . . . . A 14 ASP CB . 19108 1 122 . 1 1 14 14 ASP N N 15 127.113 . . . . . . A 14 ASP N . 19108 1 123 . 1 1 15 15 PRO HA H 1 3.853 . . . . . . A 15 PRO HA . 19108 1 124 . 1 1 15 15 PRO HB2 H 1 2.056 . . . . . . A 15 PRO HB2 . 19108 1 125 . 1 1 15 15 PRO HB3 H 1 2.171 . . . . . . A 15 PRO HB3 . 19108 1 126 . 1 1 15 15 PRO HG3 H 1 1.693 . . . . . . A 15 PRO HG3 . 19108 1 127 . 1 1 15 15 PRO HD3 H 1 3.198 . . . . . . A 15 PRO HD3 . 19108 1 128 . 1 1 15 15 PRO CA C 13 66.654 . . . . . . A 15 PRO CA . 19108 1 129 . 1 1 15 15 PRO CB C 13 31.651 . . . . . . A 15 PRO CB . 19108 1 130 . 1 1 15 15 PRO CG C 13 27.424 . . . . . . A 15 PRO CG . 19108 1 131 . 1 1 16 16 HIS H H 1 8.591 . . . . . . A 16 HIS H . 19108 1 132 . 1 1 16 16 HIS HA H 1 4.278 . . . . . . A 16 HIS HA . 19108 1 133 . 1 1 16 16 HIS HB2 H 1 2.661 . . . . . . A 16 HIS HB2 . 19108 1 134 . 1 1 16 16 HIS HB3 H 1 3.231 . . . . . . A 16 HIS HB3 . 19108 1 135 . 1 1 16 16 HIS HD2 H 1 7.190 . . . . . . A 16 HIS HD2 . 19108 1 136 . 1 1 16 16 HIS CA C 13 58.918 . . . . . . A 16 HIS CA . 19108 1 137 . 1 1 16 16 HIS CB C 13 29.208 . . . . . . A 16 HIS CB . 19108 1 138 . 1 1 16 16 HIS CD2 C 13 119.970 . . . . . . A 16 HIS CD2 . 19108 1 139 . 1 1 16 16 HIS N N 15 115.776 . . . . . . A 16 HIS N . 19108 1 140 . 1 1 17 17 ILE H H 1 7.558 . . . . . . A 17 ILE H . 19108 1 141 . 1 1 17 17 ILE HA H 1 3.484 . . . . . . A 17 ILE HA . 19108 1 142 . 1 1 17 17 ILE HB H 1 2.055 . . . . . . A 17 ILE HB . 19108 1 143 . 1 1 17 17 ILE HG12 H 1 1.286 . . . . . . A 17 ILE HG12 . 19108 1 144 . 1 1 17 17 ILE HG13 H 1 1.599 . . . . . . A 17 ILE HG13 . 19108 1 145 . 1 1 17 17 ILE HG21 H 1 0.453 . . . . . . A 17 ILE HG21 . 19108 1 146 . 1 1 17 17 ILE HG22 H 1 0.453 . . . . . . A 17 ILE HG22 . 19108 1 147 . 1 1 17 17 ILE HG23 H 1 0.453 . . . . . . A 17 ILE HG23 . 19108 1 148 . 1 1 17 17 ILE HD11 H 1 0.862 . . . . . . A 17 ILE HD11 . 19108 1 149 . 1 1 17 17 ILE HD12 H 1 0.862 . . . . . . A 17 ILE HD12 . 19108 1 150 . 1 1 17 17 ILE HD13 H 1 0.862 . . . . . . A 17 ILE HD13 . 19108 1 151 . 1 1 17 17 ILE CA C 13 63.226 . . . . . . A 17 ILE CA . 19108 1 152 . 1 1 17 17 ILE CB C 13 36.097 . . . . . . A 17 ILE CB . 19108 1 153 . 1 1 17 17 ILE CG1 C 13 27.972 . . . . . . A 17 ILE CG1 . 19108 1 154 . 1 1 17 17 ILE CG2 C 13 17.058 . . . . . . A 17 ILE CG2 . 19108 1 155 . 1 1 17 17 ILE CD1 C 13 10.713 . . . . . . A 17 ILE CD1 . 19108 1 156 . 1 1 17 17 ILE N N 15 122.675 . . . . . . A 17 ILE N . 19108 1 157 . 1 1 18 18 PHE H H 1 7.831 . . . . . . A 18 PHE H . 19108 1 158 . 1 1 18 18 PHE HA H 1 4.003 . . . . . . A 18 PHE HA . 19108 1 159 . 1 1 18 18 PHE HB2 H 1 3.023 . . . . . . A 18 PHE HB2 . 19108 1 160 . 1 1 18 18 PHE HB3 H 1 3.253 . . . . . . A 18 PHE HB3 . 19108 1 161 . 1 1 18 18 PHE HD1 H 1 7.277 . . . . . . A 18 PHE HD1 . 19108 1 162 . 1 1 18 18 PHE HE1 H 1 7.626 . . . . . . A 18 PHE HE1 . 19108 1 163 . 1 1 18 18 PHE HZ H 1 7.277 . . . . . . A 18 PHE HZ . 19108 1 164 . 1 1 18 18 PHE CA C 13 62.804 . . . . . . A 18 PHE CA . 19108 1 165 . 1 1 18 18 PHE CB C 13 39.640 . . . . . . A 18 PHE CB . 19108 1 166 . 1 1 18 18 PHE N N 15 120.513 . . . . . . A 18 PHE N . 19108 1 167 . 1 1 19 19 THR H H 1 9.036 . . . . . . A 19 THR H . 19108 1 168 . 1 1 19 19 THR HA H 1 3.657 . . . . . . A 19 THR HA . 19108 1 169 . 1 1 19 19 THR HB H 1 4.328 . . . . . . A 19 THR HB . 19108 1 170 . 1 1 19 19 THR HG21 H 1 1.627 . . . . . . A 19 THR HG21 . 19108 1 171 . 1 1 19 19 THR HG22 H 1 1.627 . . . . . . A 19 THR HG22 . 19108 1 172 . 1 1 19 19 THR HG23 H 1 1.627 . . . . . . A 19 THR HG23 . 19108 1 173 . 1 1 19 19 THR CA C 13 66.485 . . . . . . A 19 THR CA . 19108 1 174 . 1 1 19 19 THR CB C 13 68.345 . . . . . . A 19 THR CB . 19108 1 175 . 1 1 19 19 THR CG2 C 13 22.799 . . . . . . A 19 THR CG2 . 19108 1 176 . 1 1 19 19 THR N N 15 114.555 . . . . . . A 19 THR N . 19108 1 177 . 1 1 20 20 SER H H 1 7.809 . . . . . . A 20 SER H . 19108 1 178 . 1 1 20 20 SER HA H 1 4.062 . . . . . . A 20 SER HA . 19108 1 179 . 1 1 20 20 SER HB2 H 1 3.708 . . . . . . A 20 SER HB2 . 19108 1 180 . 1 1 20 20 SER HB3 H 1 4.041 . . . . . . A 20 SER HB3 . 19108 1 181 . 1 1 20 20 SER CA C 13 60.610 . . . . . . A 20 SER CA . 19108 1 182 . 1 1 20 20 SER CB C 13 63.843 . . . . . . A 20 SER CB . 19108 1 183 . 1 1 20 20 SER N N 15 113.030 . . . . . . A 20 SER N . 19108 1 184 . 1 1 21 21 ASN H H 1 7.362 . . . . . . A 21 ASN H . 19108 1 185 . 1 1 21 21 ASN HA H 1 4.411 . . . . . . A 21 ASN HA . 19108 1 186 . 1 1 21 21 ASN HB2 H 1 2.708 . . . . . . A 21 ASN HB2 . 19108 1 187 . 1 1 21 21 ASN HB3 H 1 2.996 . . . . . . A 21 ASN HB3 . 19108 1 188 . 1 1 21 21 ASN HD21 H 1 7.648 . . . . . . A 21 ASN HD21 . 19108 1 189 . 1 1 21 21 ASN HD22 H 1 6.887 . . . . . . A 21 ASN HD22 . 19108 1 190 . 1 1 21 21 ASN CA C 13 56.989 . . . . . . A 21 ASN CA . 19108 1 191 . 1 1 21 21 ASN CB C 13 41.580 . . . . . . A 21 ASN CB . 19108 1 192 . 1 1 21 21 ASN N N 15 115.629 . . . . . . A 21 ASN N . 19108 1 193 . 1 1 21 21 ASN ND2 N 15 113.149 . . . . . . A 21 ASN ND2 . 19108 1 194 . 1 1 22 22 PHE H H 1 8.296 . . . . . . A 22 PHE H . 19108 1 195 . 1 1 22 22 PHE HA H 1 4.273 . . . . . . A 22 PHE HA . 19108 1 196 . 1 1 22 22 PHE HB3 H 1 3.216 . . . . . . A 22 PHE HB3 . 19108 1 197 . 1 1 22 22 PHE HD2 H 1 6.821 . . . . . . A 22 PHE HD2 . 19108 1 198 . 1 1 22 22 PHE HE2 H 1 6.975 . . . . . . A 22 PHE HE2 . 19108 1 199 . 1 1 22 22 PHE HZ H 1 6.819 . . . . . . A 22 PHE HZ . 19108 1 200 . 1 1 22 22 PHE CA C 13 56.460 . . . . . . A 22 PHE CA . 19108 1 201 . 1 1 22 22 PHE CB C 13 37.830 . . . . . . A 22 PHE CB . 19108 1 202 . 1 1 22 22 PHE N N 15 117.773 . . . . . . A 22 PHE N . 19108 1 203 . 1 1 23 23 ASN H H 1 6.097 . . . . . . A 23 ASN H . 19108 1 204 . 1 1 23 23 ASN HA H 1 4.529 . . . . . . A 23 ASN HA . 19108 1 205 . 1 1 23 23 ASN HB2 H 1 1.855 . . . . . . A 23 ASN HB2 . 19108 1 206 . 1 1 23 23 ASN HB3 H 1 2.303 . . . . . . A 23 ASN HB3 . 19108 1 207 . 1 1 23 23 ASN CA C 13 53.642 . . . . . . A 23 ASN CA . 19108 1 208 . 1 1 23 23 ASN CB C 13 36.623 . . . . . . A 23 ASN CB . 19108 1 209 . 1 1 23 23 ASN N N 15 115.026 . . . . . . A 23 ASN N . 19108 1 210 . 1 1 24 24 ASN H H 1 7.083 . . . . . . A 24 ASN H . 19108 1 211 . 1 1 24 24 ASN HA H 1 4.433 . . . . . . A 24 ASN HA . 19108 1 212 . 1 1 24 24 ASN HB2 H 1 2.723 . . . . . . A 24 ASN HB2 . 19108 1 213 . 1 1 24 24 ASN HB3 H 1 3.003 . . . . . . A 24 ASN HB3 . 19108 1 214 . 1 1 24 24 ASN HD21 H 1 7.650 . . . . . . A 24 ASN HD21 . 19108 1 215 . 1 1 24 24 ASN HD22 H 1 6.880 . . . . . . A 24 ASN HD22 . 19108 1 216 . 1 1 24 24 ASN CA C 13 53.273 . . . . . . A 24 ASN CA . 19108 1 217 . 1 1 24 24 ASN CB C 13 37.892 . . . . . . A 24 ASN CB . 19108 1 218 . 1 1 24 24 ASN N N 15 122.900 . . . . . . A 24 ASN N . 19108 1 219 . 1 1 25 25 GLY H H 1 8.520 . . . . . . A 25 GLY H . 19108 1 220 . 1 1 25 25 GLY HA2 H 1 3.578 . . . . . . A 25 GLY HA2 . 19108 1 221 . 1 1 25 25 GLY CA C 13 44.865 . . . . . . A 25 GLY CA . 19108 1 222 . 1 1 25 25 GLY N N 15 105.587 . . . . . . A 25 GLY N . 19108 1 223 . 1 1 26 26 ILE H H 1 6.944 . . . . . . A 26 ILE H . 19108 1 224 . 1 1 26 26 ILE HA H 1 4.174 . . . . . . A 26 ILE HA . 19108 1 225 . 1 1 26 26 ILE HB H 1 1.470 . . . . . . A 26 ILE HB . 19108 1 226 . 1 1 26 26 ILE HG12 H 1 0.904 . . . . . . A 26 ILE HG12 . 19108 1 227 . 1 1 26 26 ILE HG13 H 1 1.228 . . . . . . A 26 ILE HG13 . 19108 1 228 . 1 1 26 26 ILE HG21 H 1 0.739 . . . . . . A 26 ILE HG21 . 19108 1 229 . 1 1 26 26 ILE HG22 H 1 0.739 . . . . . . A 26 ILE HG22 . 19108 1 230 . 1 1 26 26 ILE HG23 H 1 0.739 . . . . . . A 26 ILE HG23 . 19108 1 231 . 1 1 26 26 ILE HD11 H 1 0.748 . . . . . . A 26 ILE HD11 . 19108 1 232 . 1 1 26 26 ILE HD12 H 1 0.748 . . . . . . A 26 ILE HD12 . 19108 1 233 . 1 1 26 26 ILE HD13 H 1 0.748 . . . . . . A 26 ILE HD13 . 19108 1 234 . 1 1 26 26 ILE CA C 13 60.443 . . . . . . A 26 ILE CA . 19108 1 235 . 1 1 26 26 ILE CB C 13 40.515 . . . . . . A 26 ILE CB . 19108 1 236 . 1 1 26 26 ILE CG1 C 13 27.010 . . . . . . A 26 ILE CG1 . 19108 1 237 . 1 1 26 26 ILE CG2 C 13 16.804 . . . . . . A 26 ILE CG2 . 19108 1 238 . 1 1 26 26 ILE CD1 C 13 13.337 . . . . . . A 26 ILE CD1 . 19108 1 239 . 1 1 26 26 ILE N N 15 120.182 . . . . . . A 26 ILE N . 19108 1 240 . 1 1 27 27 GLY H H 1 8.457 . . . . . . A 27 GLY H . 19108 1 241 . 1 1 27 27 GLY HA2 H 1 3.747 . . . . . . A 27 GLY HA2 . 19108 1 242 . 1 1 27 27 GLY HA3 H 1 4.157 . . . . . . A 27 GLY HA3 . 19108 1 243 . 1 1 27 27 GLY CA C 13 45.319 . . . . . . A 27 GLY CA . 19108 1 244 . 1 1 27 27 GLY N N 15 111.665 . . . . . . A 27 GLY N . 19108 1 245 . 1 1 28 28 ARG H H 1 6.741 . . . . . . A 28 ARG H . 19108 1 246 . 1 1 28 28 ARG HE H 1 7.248 . . . . . . A 28 ARG HE . 19108 1 247 . 1 1 28 28 ARG CA C 13 53.565 . . . . . . A 28 ARG CA . 19108 1 248 . 1 1 28 28 ARG N N 15 117.565 . . . . . . A 28 ARG N . 19108 1 249 . 1 1 28 28 ARG NE N 15 84.843 . . . . . . A 28 ARG NE . 19108 1 250 . 1 1 29 29 HIS H H 1 8.636 . . . . . . A 29 HIS H . 19108 1 251 . 1 1 29 29 HIS HB3 H 1 3.138 . . . . . . A 29 HIS HB3 . 19108 1 252 . 1 1 29 29 HIS CA C 13 58.003 . . . . . . A 29 HIS CA . 19108 1 253 . 1 1 29 29 HIS CB C 13 29.044 . . . . . . A 29 HIS CB . 19108 1 254 . 1 1 30 30 LYS H H 1 7.870 . . . . . . A 30 LYS H . 19108 1 255 . 1 1 30 30 LYS HA H 1 4.421 . . . . . . A 30 LYS HA . 19108 1 256 . 1 1 30 30 LYS HB3 H 1 1.799 . . . . . . A 30 LYS HB3 . 19108 1 257 . 1 1 30 30 LYS HG3 H 1 1.555 . . . . . . A 30 LYS HG3 . 19108 1 258 . 1 1 30 30 LYS HE2 H 1 2.839 . . . . . . A 30 LYS HE2 . 19108 1 259 . 1 1 30 30 LYS CA C 13 56.864 . . . . . . A 30 LYS CA . 19108 1 260 . 1 1 30 30 LYS CB C 13 35.191 . . . . . . A 30 LYS CB . 19108 1 261 . 1 1 30 30 LYS N N 15 119.344 . . . . . . A 30 LYS N . 19108 1 262 . 1 1 31 31 THR H H 1 8.436 . . . . . . A 31 THR H . 19108 1 263 . 1 1 31 31 THR HA H 1 4.125 . . . . . . A 31 THR HA . 19108 1 264 . 1 1 31 31 THR HB H 1 3.569 . . . . . . A 31 THR HB . 19108 1 265 . 1 1 31 31 THR HG21 H 1 0.790 . . . . . . A 31 THR HG21 . 19108 1 266 . 1 1 31 31 THR HG22 H 1 0.790 . . . . . . A 31 THR HG22 . 19108 1 267 . 1 1 31 31 THR HG23 H 1 0.790 . . . . . . A 31 THR HG23 . 19108 1 268 . 1 1 31 31 THR CA C 13 63.175 . . . . . . A 31 THR CA . 19108 1 269 . 1 1 31 31 THR N N 15 118.233 . . . . . . A 31 THR N . 19108 1 270 . 1 1 32 32 TYR H H 1 8.244 . . . . . . A 32 TYR H . 19108 1 271 . 1 1 32 32 TYR HA H 1 4.936 . . . . . . A 32 TYR HA . 19108 1 272 . 1 1 32 32 TYR HB2 H 1 2.519 . . . . . . A 32 TYR HB2 . 19108 1 273 . 1 1 32 32 TYR HB3 H 1 3.065 . . . . . . A 32 TYR HB3 . 19108 1 274 . 1 1 32 32 TYR HD2 H 1 6.834 . . . . . . A 32 TYR HD2 . 19108 1 275 . 1 1 32 32 TYR HE2 H 1 6.655 . . . . . . A 32 TYR HE2 . 19108 1 276 . 1 1 32 32 TYR CA C 13 57.501 . . . . . . A 32 TYR CA . 19108 1 277 . 1 1 32 32 TYR CB C 13 44.404 . . . . . . A 32 TYR CB . 19108 1 278 . 1 1 32 32 TYR N N 15 124.026 . . . . . . A 32 TYR N . 19108 1 279 . 1 1 33 33 LEU H H 1 9.232 . . . . . . A 33 LEU H . 19108 1 280 . 1 1 33 33 LEU HA H 1 5.079 . . . . . . A 33 LEU HA . 19108 1 281 . 1 1 33 33 LEU HB2 H 1 1.021 . . . . . . A 33 LEU HB2 . 19108 1 282 . 1 1 33 33 LEU HB3 H 1 1.547 . . . . . . A 33 LEU HB3 . 19108 1 283 . 1 1 33 33 LEU HG H 1 0.956 . . . . . . A 33 LEU HG . 19108 1 284 . 1 1 33 33 LEU HD11 H 1 -0.065 . . . . . . A 33 LEU HD11 . 19108 1 285 . 1 1 33 33 LEU HD12 H 1 -0.065 . . . . . . A 33 LEU HD12 . 19108 1 286 . 1 1 33 33 LEU HD13 H 1 -0.065 . . . . . . A 33 LEU HD13 . 19108 1 287 . 1 1 33 33 LEU HD21 H 1 -0.277 . . . . . . A 33 LEU HD21 . 19108 1 288 . 1 1 33 33 LEU HD22 H 1 -0.277 . . . . . . A 33 LEU HD22 . 19108 1 289 . 1 1 33 33 LEU HD23 H 1 -0.277 . . . . . . A 33 LEU HD23 . 19108 1 290 . 1 1 33 33 LEU CA C 13 54.838 . . . . . . A 33 LEU CA . 19108 1 291 . 1 1 33 33 LEU CB C 13 46.984 . . . . . . A 33 LEU CB . 19108 1 292 . 1 1 33 33 LEU CG C 13 28.773 . . . . . . A 33 LEU CG . 19108 1 293 . 1 1 33 33 LEU CD1 C 13 24.193 . . . . . . A 33 LEU CD1 . 19108 1 294 . 1 1 33 33 LEU CD2 C 13 25.229 . . . . . . A 33 LEU CD2 . 19108 1 295 . 1 1 33 33 LEU N N 15 125.428 . . . . . . A 33 LEU N . 19108 1 296 . 1 1 34 34 CYS H H 1 9.640 . . . . . . A 34 CYS H . 19108 1 297 . 1 1 34 34 CYS HA H 1 5.006 . . . . . . A 34 CYS HA . 19108 1 298 . 1 1 34 34 CYS HB2 H 1 1.136 . . . . . . A 34 CYS HB2 . 19108 1 299 . 1 1 34 34 CYS HB3 H 1 2.716 . . . . . . A 34 CYS HB3 . 19108 1 300 . 1 1 34 34 CYS CA C 13 57.145 . . . . . . A 34 CYS CA . 19108 1 301 . 1 1 34 34 CYS CB C 13 28.302 . . . . . . A 34 CYS CB . 19108 1 302 . 1 1 34 34 CYS N N 15 125.975 . . . . . . A 34 CYS N . 19108 1 303 . 1 1 35 35 TYR H H 1 9.094 . . . . . . A 35 TYR H . 19108 1 304 . 1 1 35 35 TYR HA H 1 6.488 . . . . . . A 35 TYR HA . 19108 1 305 . 1 1 35 35 TYR HB2 H 1 2.494 . . . . . . A 35 TYR HB2 . 19108 1 306 . 1 1 35 35 TYR HB3 H 1 2.932 . . . . . . A 35 TYR HB3 . 19108 1 307 . 1 1 35 35 TYR HD1 H 1 6.790 . . . . . . A 35 TYR HD1 . 19108 1 308 . 1 1 35 35 TYR HE1 H 1 6.515 . . . . . . A 35 TYR HE1 . 19108 1 309 . 1 1 35 35 TYR CA C 13 54.782 . . . . . . A 35 TYR CA . 19108 1 310 . 1 1 35 35 TYR CB C 13 43.090 . . . . . . A 35 TYR CB . 19108 1 311 . 1 1 35 35 TYR N N 15 121.183 . . . . . . A 35 TYR N . 19108 1 312 . 1 1 36 36 GLU H H 1 8.977 . . . . . . A 36 GLU H . 19108 1 313 . 1 1 36 36 GLU HA H 1 5.435 . . . . . . A 36 GLU HA . 19108 1 314 . 1 1 36 36 GLU HB2 H 1 2.081 . . . . . . A 36 GLU HB2 . 19108 1 315 . 1 1 36 36 GLU HB3 H 1 2.296 . . . . . . A 36 GLU HB3 . 19108 1 316 . 1 1 36 36 GLU HG2 H 1 2.502 . . . . . . A 36 GLU HG2 . 19108 1 317 . 1 1 36 36 GLU HG3 H 1 2.639 . . . . . . A 36 GLU HG3 . 19108 1 318 . 1 1 36 36 GLU CA C 13 55.391 . . . . . . A 36 GLU CA . 19108 1 319 . 1 1 36 36 GLU CB C 13 34.544 . . . . . . A 36 GLU CB . 19108 1 320 . 1 1 36 36 GLU N N 15 115.538 . . . . . . A 36 GLU N . 19108 1 321 . 1 1 37 37 VAL H H 1 9.271 . . . . . . A 37 VAL H . 19108 1 322 . 1 1 37 37 VAL HA H 1 5.159 . . . . . . A 37 VAL HA . 19108 1 323 . 1 1 37 37 VAL HB H 1 2.409 . . . . . . A 37 VAL HB . 19108 1 324 . 1 1 37 37 VAL HG11 H 1 1.319 . . . . . . A 37 VAL HG11 . 19108 1 325 . 1 1 37 37 VAL HG12 H 1 1.319 . . . . . . A 37 VAL HG12 . 19108 1 326 . 1 1 37 37 VAL HG13 H 1 1.319 . . . . . . A 37 VAL HG13 . 19108 1 327 . 1 1 37 37 VAL HG21 H 1 1.186 . . . . . . A 37 VAL HG21 . 19108 1 328 . 1 1 37 37 VAL HG22 H 1 1.186 . . . . . . A 37 VAL HG22 . 19108 1 329 . 1 1 37 37 VAL HG23 H 1 1.186 . . . . . . A 37 VAL HG23 . 19108 1 330 . 1 1 37 37 VAL CA C 13 62.048 . . . . . . A 37 VAL CA . 19108 1 331 . 1 1 37 37 VAL CB C 13 35.070 . . . . . . A 37 VAL CB . 19108 1 332 . 1 1 37 37 VAL CG1 C 13 21.448 . . . . . . A 37 VAL CG1 . 19108 1 333 . 1 1 37 37 VAL CG2 C 13 22.277 . . . . . . A 37 VAL CG2 . 19108 1 334 . 1 1 37 37 VAL N N 15 121.600 . . . . . . A 37 VAL N . 19108 1 335 . 1 1 38 38 GLU H H 1 9.114 . . . . . . A 38 GLU H . 19108 1 336 . 1 1 38 38 GLU HA H 1 5.218 . . . . . . A 38 GLU HA . 19108 1 337 . 1 1 38 38 GLU HB2 H 1 2.093 . . . . . . A 38 GLU HB2 . 19108 1 338 . 1 1 38 38 GLU HB3 H 1 2.143 . . . . . . A 38 GLU HB3 . 19108 1 339 . 1 1 38 38 GLU HG2 H 1 2.036 . . . . . . A 38 GLU HG2 . 19108 1 340 . 1 1 38 38 GLU HG3 H 1 2.181 . . . . . . A 38 GLU HG3 . 19108 1 341 . 1 1 38 38 GLU CA C 13 54.252 . . . . . . A 38 GLU CA . 19108 1 342 . 1 1 38 38 GLU CB C 13 34.927 . . . . . . A 38 GLU CB . 19108 1 343 . 1 1 38 38 GLU N N 15 125.227 . . . . . . A 38 GLU N . 19108 1 344 . 1 1 39 39 ARG H H 1 9.215 . . . . . . A 39 ARG H . 19108 1 345 . 1 1 39 39 ARG HA H 1 5.365 . . . . . . A 39 ARG HA . 19108 1 346 . 1 1 39 39 ARG HB2 H 1 1.905 . . . . . . A 39 ARG HB2 . 19108 1 347 . 1 1 39 39 ARG HB3 H 1 2.103 . . . . . . A 39 ARG HB3 . 19108 1 348 . 1 1 39 39 ARG HG2 H 1 1.228 . . . . . . A 39 ARG HG2 . 19108 1 349 . 1 1 39 39 ARG HG3 H 1 1.424 . . . . . . A 39 ARG HG3 . 19108 1 350 . 1 1 39 39 ARG CA C 13 55.247 . . . . . . A 39 ARG CA . 19108 1 351 . 1 1 39 39 ARG CB C 13 32.565 . . . . . . A 39 ARG CB . 19108 1 352 . 1 1 39 39 ARG N N 15 124.872 . . . . . . A 39 ARG N . 19108 1 353 . 1 1 40 40 LEU H H 1 8.659 . . . . . . A 40 LEU H . 19108 1 354 . 1 1 40 40 LEU HA H 1 4.753 . . . . . . A 40 LEU HA . 19108 1 355 . 1 1 40 40 LEU HB2 H 1 1.248 . . . . . . A 40 LEU HB2 . 19108 1 356 . 1 1 40 40 LEU HB3 H 1 1.543 . . . . . . A 40 LEU HB3 . 19108 1 357 . 1 1 40 40 LEU HG H 1 1.445 . . . . . . A 40 LEU HG . 19108 1 358 . 1 1 40 40 LEU HD11 H 1 0.742 . . . . . . A 40 LEU HD11 . 19108 1 359 . 1 1 40 40 LEU HD12 H 1 0.742 . . . . . . A 40 LEU HD12 . 19108 1 360 . 1 1 40 40 LEU HD13 H 1 0.742 . . . . . . A 40 LEU HD13 . 19108 1 361 . 1 1 40 40 LEU HD21 H 1 0.661 . . . . . . A 40 LEU HD21 . 19108 1 362 . 1 1 40 40 LEU HD22 H 1 0.661 . . . . . . A 40 LEU HD22 . 19108 1 363 . 1 1 40 40 LEU HD23 H 1 0.661 . . . . . . A 40 LEU HD23 . 19108 1 364 . 1 1 40 40 LEU CA C 13 54.323 . . . . . . A 40 LEU CA . 19108 1 365 . 1 1 40 40 LEU CB C 13 40.843 . . . . . . A 40 LEU CB . 19108 1 366 . 1 1 40 40 LEU CD1 C 13 25.242 . . . . . . A 40 LEU CD1 . 19108 1 367 . 1 1 40 40 LEU CD2 C 13 23.002 . . . . . . A 40 LEU CD2 . 19108 1 368 . 1 1 40 40 LEU N N 15 126.510 . . . . . . A 40 LEU N . 19108 1 369 . 1 1 41 41 ASP H H 1 8.575 . . . . . . A 41 ASP H . 19108 1 370 . 1 1 41 41 ASP HA H 1 4.793 . . . . . . A 41 ASP HA . 19108 1 371 . 1 1 41 41 ASP HB2 H 1 2.471 . . . . . . A 41 ASP HB2 . 19108 1 372 . 1 1 41 41 ASP HB3 H 1 2.669 . . . . . . A 41 ASP HB3 . 19108 1 373 . 1 1 41 41 ASP CA C 13 53.218 . . . . . . A 41 ASP CA . 19108 1 374 . 1 1 41 41 ASP CB C 13 41.733 . . . . . . A 41 ASP CB . 19108 1 375 . 1 1 41 41 ASP N N 15 124.410 . . . . . . A 41 ASP N . 19108 1 376 . 1 1 42 42 ASN H H 1 9.048 . . . . . . A 42 ASN H . 19108 1 377 . 1 1 42 42 ASN HA H 1 4.420 . . . . . . A 42 ASN HA . 19108 1 378 . 1 1 42 42 ASN HB2 H 1 2.713 . . . . . . A 42 ASN HB2 . 19108 1 379 . 1 1 42 42 ASN HB3 H 1 2.989 . . . . . . A 42 ASN HB3 . 19108 1 380 . 1 1 42 42 ASN CA C 13 54.173 . . . . . . A 42 ASN CA . 19108 1 381 . 1 1 42 42 ASN CB C 13 37.847 . . . . . . A 42 ASN CB . 19108 1 382 . 1 1 42 42 ASN N N 15 123.319 . . . . . . A 42 ASN N . 19108 1 383 . 1 1 43 43 GLY H H 1 8.548 . . . . . . A 43 GLY H . 19108 1 384 . 1 1 43 43 GLY HA2 H 1 3.688 . . . . . . A 43 GLY HA2 . 19108 1 385 . 1 1 43 43 GLY HA3 H 1 4.191 . . . . . . A 43 GLY HA3 . 19108 1 386 . 1 1 43 43 GLY CA C 13 45.394 . . . . . . A 43 GLY CA . 19108 1 387 . 1 1 43 43 GLY N N 15 106.044 . . . . . . A 43 GLY N . 19108 1 388 . 1 1 44 44 THR H H 1 7.833 . . . . . . A 44 THR H . 19108 1 389 . 1 1 44 44 THR HA H 1 4.524 . . . . . . A 44 THR HA . 19108 1 390 . 1 1 44 44 THR HB H 1 4.220 . . . . . . A 44 THR HB . 19108 1 391 . 1 1 44 44 THR HG21 H 1 1.216 . . . . . . A 44 THR HG21 . 19108 1 392 . 1 1 44 44 THR HG22 H 1 1.216 . . . . . . A 44 THR HG22 . 19108 1 393 . 1 1 44 44 THR HG23 H 1 1.216 . . . . . . A 44 THR HG23 . 19108 1 394 . 1 1 44 44 THR CA C 13 61.285 . . . . . . A 44 THR CA . 19108 1 395 . 1 1 44 44 THR CB C 13 70.572 . . . . . . A 44 THR CB . 19108 1 396 . 1 1 44 44 THR CG2 C 13 21.314 . . . . . . A 44 THR CG2 . 19108 1 397 . 1 1 44 44 THR N N 15 115.893 . . . . . . A 44 THR N . 19108 1 398 . 1 1 45 45 SER H H 1 8.590 . . . . . . A 45 SER H . 19108 1 399 . 1 1 45 45 SER HA H 1 4.804 . . . . . . A 45 SER HA . 19108 1 400 . 1 1 45 45 SER HB2 H 1 3.697 . . . . . . A 45 SER HB2 . 19108 1 401 . 1 1 45 45 SER HB3 H 1 3.747 . . . . . . A 45 SER HB3 . 19108 1 402 . 1 1 45 45 SER CA C 13 58.080 . . . . . . A 45 SER CA . 19108 1 403 . 1 1 45 45 SER CB C 13 64.265 . . . . . . A 45 SER CB . 19108 1 404 . 1 1 45 45 SER N N 15 119.589 . . . . . . A 45 SER N . 19108 1 405 . 1 1 46 46 VAL H H 1 9.034 . . . . . . A 46 VAL H . 19108 1 406 . 1 1 46 46 VAL HA H 1 4.293 . . . . . . A 46 VAL HA . 19108 1 407 . 1 1 46 46 VAL HB H 1 2.107 . . . . . . A 46 VAL HB . 19108 1 408 . 1 1 46 46 VAL HG11 H 1 1.007 . . . . . . A 46 VAL HG11 . 19108 1 409 . 1 1 46 46 VAL HG12 H 1 1.007 . . . . . . A 46 VAL HG12 . 19108 1 410 . 1 1 46 46 VAL HG13 H 1 1.007 . . . . . . A 46 VAL HG13 . 19108 1 411 . 1 1 46 46 VAL HG21 H 1 0.973 . . . . . . A 46 VAL HG21 . 19108 1 412 . 1 1 46 46 VAL HG22 H 1 0.973 . . . . . . A 46 VAL HG22 . 19108 1 413 . 1 1 46 46 VAL HG23 H 1 0.973 . . . . . . A 46 VAL HG23 . 19108 1 414 . 1 1 46 46 VAL CA C 13 61.843 . . . . . . A 46 VAL CA . 19108 1 415 . 1 1 46 46 VAL CB C 13 33.517 . . . . . . A 46 VAL CB . 19108 1 416 . 1 1 46 46 VAL CG1 C 13 21.025 . . . . . . A 46 VAL CG1 . 19108 1 417 . 1 1 46 46 VAL CG2 C 13 20.841 . . . . . . A 46 VAL CG2 . 19108 1 418 . 1 1 46 46 VAL N N 15 125.827 . . . . . . A 46 VAL N . 19108 1 419 . 1 1 47 47 LYS H H 1 8.738 . . . . . . A 47 LYS H . 19108 1 420 . 1 1 47 47 LYS HA H 1 4.285 . . . . . . A 47 LYS HA . 19108 1 421 . 1 1 47 47 LYS HB2 H 1 1.865 . . . . . . A 47 LYS HB2 . 19108 1 422 . 1 1 47 47 LYS HB3 H 1 1.909 . . . . . . A 47 LYS HB3 . 19108 1 423 . 1 1 47 47 LYS HG2 H 1 1.509 . . . . . . A 47 LYS HG2 . 19108 1 424 . 1 1 47 47 LYS HG3 H 1 1.603 . . . . . . A 47 LYS HG3 . 19108 1 425 . 1 1 47 47 LYS HD2 H 1 1.768 . . . . . . A 47 LYS HD2 . 19108 1 426 . 1 1 47 47 LYS HD3 H 1 1.767 . . . . . . A 47 LYS HD3 . 19108 1 427 . 1 1 47 47 LYS HE2 H 1 3.046 . . . . . . A 47 LYS HE2 . 19108 1 428 . 1 1 47 47 LYS HZ1 H 1 6.509 . . . . . . A 47 LYS HZ1 . 19108 1 429 . 1 1 47 47 LYS HZ2 H 1 6.509 . . . . . . A 47 LYS HZ2 . 19108 1 430 . 1 1 47 47 LYS HZ3 H 1 6.509 . . . . . . A 47 LYS HZ3 . 19108 1 431 . 1 1 47 47 LYS CA C 13 57.665 . . . . . . A 47 LYS CA . 19108 1 432 . 1 1 47 47 LYS CB C 13 32.792 . . . . . . A 47 LYS CB . 19108 1 433 . 1 1 47 47 LYS CG C 13 25.087 . . . . . . A 47 LYS CG . 19108 1 434 . 1 1 47 47 LYS CD C 13 29.055 . . . . . . A 47 LYS CD . 19108 1 435 . 1 1 47 47 LYS CE C 13 42.184 . . . . . . A 47 LYS CE . 19108 1 436 . 1 1 47 47 LYS N N 15 126.528 . . . . . . A 47 LYS N . 19108 1 437 . 1 1 48 48 MET H H 1 8.334 . . . . . . A 48 MET H . 19108 1 438 . 1 1 48 48 MET HA H 1 5.195 . . . . . . A 48 MET HA . 19108 1 439 . 1 1 48 48 MET HB2 H 1 1.914 . . . . . . A 48 MET HB2 . 19108 1 440 . 1 1 48 48 MET HB3 H 1 2.110 . . . . . . A 48 MET HB3 . 19108 1 441 . 1 1 48 48 MET HG2 H 1 2.597 . . . . . . A 48 MET HG2 . 19108 1 442 . 1 1 48 48 MET HG3 H 1 2.622 . . . . . . A 48 MET HG3 . 19108 1 443 . 1 1 48 48 MET HE1 H 1 2.092 . . . . . . A 48 MET HE1 . 19108 1 444 . 1 1 48 48 MET HE2 H 1 2.092 . . . . . . A 48 MET HE2 . 19108 1 445 . 1 1 48 48 MET HE3 H 1 2.092 . . . . . . A 48 MET HE3 . 19108 1 446 . 1 1 48 48 MET CA C 13 54.747 . . . . . . A 48 MET CA . 19108 1 447 . 1 1 48 48 MET CB C 13 32.379 . . . . . . A 48 MET CB . 19108 1 448 . 1 1 48 48 MET CE C 13 16.994 . . . . . . A 48 MET CE . 19108 1 449 . 1 1 48 48 MET N N 15 122.645 . . . . . . A 48 MET N . 19108 1 450 . 1 1 49 49 ASP H H 1 8.575 . . . . . . A 49 ASP H . 19108 1 451 . 1 1 49 49 ASP HA H 1 4.424 . . . . . . A 49 ASP HA . 19108 1 452 . 1 1 49 49 ASP HB2 H 1 2.650 . . . . . . A 49 ASP HB2 . 19108 1 453 . 1 1 49 49 ASP HB3 H 1 2.736 . . . . . . A 49 ASP HB3 . 19108 1 454 . 1 1 49 49 ASP CA C 13 56.610 . . . . . . A 49 ASP CA . 19108 1 455 . 1 1 49 49 ASP CB C 13 41.034 . . . . . . A 49 ASP CB . 19108 1 456 . 1 1 49 49 ASP N N 15 123.713 . . . . . . A 49 ASP N . 19108 1 457 . 1 1 50 50 GLN H H 1 9.110 . . . . . . A 50 GLN H . 19108 1 458 . 1 1 50 50 GLN N N 15 117.540 . . . . . . A 50 GLN N . 19108 1 459 . 1 1 51 51 HIS H H 1 8.031 . . . . . . A 51 HIS H . 19108 1 460 . 1 1 51 51 HIS HA H 1 5.151 . . . . . . A 51 HIS HA . 19108 1 461 . 1 1 51 51 HIS HB2 H 1 3.197 . . . . . . A 51 HIS HB2 . 19108 1 462 . 1 1 51 51 HIS HB3 H 1 3.433 . . . . . . A 51 HIS HB3 . 19108 1 463 . 1 1 51 51 HIS HD2 H 1 6.932 . . . . . . A 51 HIS HD2 . 19108 1 464 . 1 1 51 51 HIS HE1 H 1 7.944 . . . . . . A 51 HIS HE1 . 19108 1 465 . 1 1 51 51 HIS CA C 13 54.834 . . . . . . A 51 HIS CA . 19108 1 466 . 1 1 52 52 ARG H H 1 7.685 . . . . . . A 52 ARG H . 19108 1 467 . 1 1 52 52 ARG HA H 1 5.237 . . . . . . A 52 ARG HA . 19108 1 468 . 1 1 52 52 ARG HB2 H 1 2.057 . . . . . . A 52 ARG HB2 . 19108 1 469 . 1 1 52 52 ARG HB3 H 1 2.088 . . . . . . A 52 ARG HB3 . 19108 1 470 . 1 1 52 52 ARG HG3 H 1 1.767 . . . . . . A 52 ARG HG3 . 19108 1 471 . 1 1 52 52 ARG HD3 H 1 2.862 . . . . . . A 52 ARG HD3 . 19108 1 472 . 1 1 52 52 ARG CA C 13 55.055 . . . . . . A 52 ARG CA . 19108 1 473 . 1 1 52 52 ARG CB C 13 33.054 . . . . . . A 52 ARG CB . 19108 1 474 . 1 1 52 52 ARG N N 15 117.888 . . . . . . A 52 ARG N . 19108 1 475 . 1 1 53 53 GLY H H 1 7.529 . . . . . . A 53 GLY H . 19108 1 476 . 1 1 53 53 GLY HA2 H 1 4.009 . . . . . . A 53 GLY HA2 . 19108 1 477 . 1 1 53 53 GLY HA3 H 1 4.302 . . . . . . A 53 GLY HA3 . 19108 1 478 . 1 1 53 53 GLY CA C 13 45.708 . . . . . . A 53 GLY CA . 19108 1 479 . 1 1 53 53 GLY N N 15 108.573 . . . . . . A 53 GLY N . 19108 1 480 . 1 1 54 54 PHE H H 1 8.287 . . . . . . A 54 PHE H . 19108 1 481 . 1 1 54 54 PHE HA H 1 5.995 . . . . . . A 54 PHE HA . 19108 1 482 . 1 1 54 54 PHE HB2 H 1 3.039 . . . . . . A 54 PHE HB2 . 19108 1 483 . 1 1 54 54 PHE HB3 H 1 3.126 . . . . . . A 54 PHE HB3 . 19108 1 484 . 1 1 54 54 PHE HD1 H 1 7.195 . . . . . . A 54 PHE HD1 . 19108 1 485 . 1 1 54 54 PHE HE1 H 1 7.357 . . . . . . A 54 PHE HE1 . 19108 1 486 . 1 1 54 54 PHE HZ H 1 7.243 . . . . . . A 54 PHE HZ . 19108 1 487 . 1 1 54 54 PHE CA C 13 55.856 . . . . . . A 54 PHE CA . 19108 1 488 . 1 1 54 54 PHE CB C 13 44.363 . . . . . . A 54 PHE CB . 19108 1 489 . 1 1 54 54 PHE N N 15 113.146 . . . . . . A 54 PHE N . 19108 1 490 . 1 1 55 55 LEU H H 1 9.452 . . . . . . A 55 LEU H . 19108 1 491 . 1 1 55 55 LEU HA H 1 4.695 . . . . . . A 55 LEU HA . 19108 1 492 . 1 1 55 55 LEU HB2 H 1 1.528 . . . . . . A 55 LEU HB2 . 19108 1 493 . 1 1 55 55 LEU HB3 H 1 1.755 . . . . . . A 55 LEU HB3 . 19108 1 494 . 1 1 55 55 LEU HG H 1 1.760 . . . . . . A 55 LEU HG . 19108 1 495 . 1 1 55 55 LEU HD11 H 1 0.844 . . . . . . A 55 LEU HD11 . 19108 1 496 . 1 1 55 55 LEU HD12 H 1 0.844 . . . . . . A 55 LEU HD12 . 19108 1 497 . 1 1 55 55 LEU HD13 H 1 0.844 . . . . . . A 55 LEU HD13 . 19108 1 498 . 1 1 55 55 LEU HD21 H 1 0.798 . . . . . . A 55 LEU HD21 . 19108 1 499 . 1 1 55 55 LEU HD22 H 1 0.798 . . . . . . A 55 LEU HD22 . 19108 1 500 . 1 1 55 55 LEU HD23 H 1 0.798 . . . . . . A 55 LEU HD23 . 19108 1 501 . 1 1 55 55 LEU CA C 13 53.712 . . . . . . A 55 LEU CA . 19108 1 502 . 1 1 55 55 LEU CB C 13 46.628 . . . . . . A 55 LEU CB . 19108 1 503 . 1 1 55 55 LEU CD1 C 13 25.338 . . . . . . A 55 LEU CD1 . 19108 1 504 . 1 1 55 55 LEU CD2 C 13 26.172 . . . . . . A 55 LEU CD2 . 19108 1 505 . 1 1 55 55 LEU N N 15 119.389 . . . . . . A 55 LEU N . 19108 1 506 . 1 1 56 56 HIS H H 1 7.709 . . . . . . A 56 HIS H . 19108 1 507 . 1 1 56 56 HIS HA H 1 5.439 . . . . . . A 56 HIS HA . 19108 1 508 . 1 1 56 56 HIS HB3 H 1 2.890 . . . . . . A 56 HIS HB3 . 19108 1 509 . 1 1 56 56 HIS HD2 H 1 6.800 . . . . . . A 56 HIS HD2 . 19108 1 510 . 1 1 56 56 HIS CA C 13 53.465 . . . . . . A 56 HIS CA . 19108 1 511 . 1 1 56 56 HIS CB C 13 31.467 . . . . . . A 56 HIS CB . 19108 1 512 . 1 1 56 56 HIS N N 15 114.176 . . . . . . A 56 HIS N . 19108 1 513 . 1 1 57 57 ASN H H 1 8.684 . . . . . . A 57 ASN H . 19108 1 514 . 1 1 57 57 ASN HA H 1 4.415 . . . . . . A 57 ASN HA . 19108 1 515 . 1 1 57 57 ASN HB3 H 1 2.317 . . . . . . A 57 ASN HB3 . 19108 1 516 . 1 1 57 57 ASN HD21 H 1 7.426 . . . . . . A 57 ASN HD21 . 19108 1 517 . 1 1 57 57 ASN HD22 H 1 6.678 . . . . . . A 57 ASN HD22 . 19108 1 518 . 1 1 57 57 ASN CA C 13 54.184 . . . . . . A 57 ASN CA . 19108 1 519 . 1 1 57 57 ASN CB C 13 38.662 . . . . . . A 57 ASN CB . 19108 1 520 . 1 1 57 57 ASN N N 15 116.522 . . . . . . A 57 ASN N . 19108 1 521 . 1 1 57 57 ASN ND2 N 15 111.475 . . . . . . A 57 ASN ND2 . 19108 1 522 . 1 1 58 58 GLN H H 1 9.099 . . . . . . A 58 GLN H . 19108 1 523 . 1 1 58 58 GLN HA H 1 4.389 . . . . . . A 58 GLN HA . 19108 1 524 . 1 1 58 58 GLN HB2 H 1 2.082 . . . . . . A 58 GLN HB2 . 19108 1 525 . 1 1 58 58 GLN HB3 H 1 2.122 . . . . . . A 58 GLN HB3 . 19108 1 526 . 1 1 58 58 GLN HG2 H 1 2.307 . . . . . . A 58 GLN HG2 . 19108 1 527 . 1 1 58 58 GLN HG3 H 1 2.372 . . . . . . A 58 GLN HG3 . 19108 1 528 . 1 1 58 58 GLN CA C 13 54.853 . . . . . . A 58 GLN CA . 19108 1 529 . 1 1 58 58 GLN CB C 13 30.382 . . . . . . A 58 GLN CB . 19108 1 530 . 1 1 58 58 GLN N N 15 122.850 . . . . . . A 58 GLN N . 19108 1 531 . 1 1 59 59 ALA HA H 1 4.300 . . . . . . A 59 ALA HA . 19108 1 532 . 1 1 59 59 ALA HB1 H 1 1.409 . . . . . . A 59 ALA HB1 . 19108 1 533 . 1 1 59 59 ALA HB2 H 1 1.409 . . . . . . A 59 ALA HB2 . 19108 1 534 . 1 1 59 59 ALA HB3 H 1 1.409 . . . . . . A 59 ALA HB3 . 19108 1 535 . 1 1 59 59 ALA CA C 13 52.504 . . . . . . A 59 ALA CA . 19108 1 536 . 1 1 59 59 ALA CB C 13 19.421 . . . . . . A 59 ALA CB . 19108 1 537 . 1 1 60 60 LYS H H 1 8.344 . . . . . . A 60 LYS H . 19108 1 538 . 1 1 60 60 LYS HA H 1 3.776 . . . . . . A 60 LYS HA . 19108 1 539 . 1 1 60 60 LYS HB3 H 1 1.669 . . . . . . A 60 LYS HB3 . 19108 1 540 . 1 1 60 60 LYS HG3 H 1 1.363 . . . . . . A 60 LYS HG3 . 19108 1 541 . 1 1 60 60 LYS HD3 H 1 1.645 . . . . . . A 60 LYS HD3 . 19108 1 542 . 1 1 60 60 LYS HE2 H 1 2.961 . . . . . . A 60 LYS HE2 . 19108 1 543 . 1 1 60 60 LYS HZ1 H 1 6.599 . . . . . . A 60 LYS HZ1 . 19108 1 544 . 1 1 60 60 LYS HZ2 H 1 6.599 . . . . . . A 60 LYS HZ2 . 19108 1 545 . 1 1 60 60 LYS HZ3 H 1 6.599 . . . . . . A 60 LYS HZ3 . 19108 1 546 . 1 1 60 60 LYS CA C 13 56.301 . . . . . . A 60 LYS CA . 19108 1 547 . 1 1 60 60 LYS CB C 13 32.816 . . . . . . A 60 LYS CB . 19108 1 548 . 1 1 60 60 LYS CE C 13 42.023 . . . . . . A 60 LYS CE . 19108 1 549 . 1 1 60 60 LYS N N 15 119.998 . . . . . . A 60 LYS N . 19108 1 550 . 1 1 61 61 ASN H H 1 8.643 . . . . . . A 61 ASN H . 19108 1 551 . 1 1 61 61 ASN HA H 1 4.455 . . . . . . A 61 ASN HA . 19108 1 552 . 1 1 61 61 ASN HB3 H 1 2.590 . . . . . . A 61 ASN HB3 . 19108 1 553 . 1 1 61 61 ASN CA C 13 52.904 . . . . . . A 61 ASN CA . 19108 1 554 . 1 1 61 61 ASN CB C 13 38.537 . . . . . . A 61 ASN CB . 19108 1 555 . 1 1 61 61 ASN N N 15 119.688 . . . . . . A 61 ASN N . 19108 1 556 . 1 1 62 62 LEU H H 1 8.873 . . . . . . A 62 LEU H . 19108 1 557 . 1 1 62 62 LEU HA H 1 3.934 . . . . . . A 62 LEU HA . 19108 1 558 . 1 1 62 62 LEU HB2 H 1 1.569 . . . . . . A 62 LEU HB2 . 19108 1 559 . 1 1 62 62 LEU HB3 H 1 1.660 . . . . . . A 62 LEU HB3 . 19108 1 560 . 1 1 62 62 LEU HD11 H 1 0.900 . . . . . . A 62 LEU HD11 . 19108 1 561 . 1 1 62 62 LEU HD12 H 1 0.900 . . . . . . A 62 LEU HD12 . 19108 1 562 . 1 1 62 62 LEU HD13 H 1 0.900 . . . . . . A 62 LEU HD13 . 19108 1 563 . 1 1 62 62 LEU HD21 H 1 0.720 . . . . . . A 62 LEU HD21 . 19108 1 564 . 1 1 62 62 LEU HD22 H 1 0.720 . . . . . . A 62 LEU HD22 . 19108 1 565 . 1 1 62 62 LEU HD23 H 1 0.720 . . . . . . A 62 LEU HD23 . 19108 1 566 . 1 1 62 62 LEU CA C 13 57.245 . . . . . . A 62 LEU CA . 19108 1 567 . 1 1 62 62 LEU CB C 13 40.943 . . . . . . A 62 LEU CB . 19108 1 568 . 1 1 62 62 LEU CD1 C 13 24.986 . . . . . . A 62 LEU CD1 . 19108 1 569 . 1 1 62 62 LEU CD2 C 13 22.869 . . . . . . A 62 LEU CD2 . 19108 1 570 . 1 1 62 62 LEU N N 15 124.761 . . . . . . A 62 LEU N . 19108 1 571 . 1 1 63 63 LEU H H 1 8.145 . . . . . . A 63 LEU H . 19108 1 572 . 1 1 63 63 LEU HA H 1 4.199 . . . . . . A 63 LEU HA . 19108 1 573 . 1 1 63 63 LEU HB2 H 1 1.658 . . . . . . A 63 LEU HB2 . 19108 1 574 . 1 1 63 63 LEU HB3 H 1 1.827 . . . . . . A 63 LEU HB3 . 19108 1 575 . 1 1 63 63 LEU HG H 1 1.690 . . . . . . A 63 LEU HG . 19108 1 576 . 1 1 63 63 LEU HD11 H 1 0.937 . . . . . . A 63 LEU HD11 . 19108 1 577 . 1 1 63 63 LEU HD12 H 1 0.937 . . . . . . A 63 LEU HD12 . 19108 1 578 . 1 1 63 63 LEU HD13 H 1 0.937 . . . . . . A 63 LEU HD13 . 19108 1 579 . 1 1 63 63 LEU HD21 H 1 0.882 . . . . . . A 63 LEU HD21 . 19108 1 580 . 1 1 63 63 LEU HD22 H 1 0.882 . . . . . . A 63 LEU HD22 . 19108 1 581 . 1 1 63 63 LEU HD23 H 1 0.882 . . . . . . A 63 LEU HD23 . 19108 1 582 . 1 1 63 63 LEU CA C 13 57.077 . . . . . . A 63 LEU CA . 19108 1 583 . 1 1 63 63 LEU CB C 13 41.257 . . . . . . A 63 LEU CB . 19108 1 584 . 1 1 63 63 LEU CD1 C 13 24.737 . . . . . . A 63 LEU CD1 . 19108 1 585 . 1 1 63 63 LEU CD2 C 13 23.471 . . . . . . A 63 LEU CD2 . 19108 1 586 . 1 1 63 63 LEU N N 15 120.312 . . . . . . A 63 LEU N . 19108 1 587 . 1 1 64 64 CYS H H 1 7.376 . . . . . . A 64 CYS H . 19108 1 588 . 1 1 64 64 CYS HA H 1 4.171 . . . . . . A 64 CYS HA . 19108 1 589 . 1 1 64 64 CYS HB3 H 1 2.894 . . . . . . A 64 CYS HB3 . 19108 1 590 . 1 1 64 64 CYS CA C 13 57.784 . . . . . . A 64 CYS CA . 19108 1 591 . 1 1 64 64 CYS CB C 13 28.718 . . . . . . A 64 CYS CB . 19108 1 592 . 1 1 64 64 CYS N N 15 113.898 . . . . . . A 64 CYS N . 19108 1 593 . 1 1 65 65 GLY H H 1 7.789 . . . . . . A 65 GLY H . 19108 1 594 . 1 1 65 65 GLY HA2 H 1 3.655 . . . . . . A 65 GLY HA2 . 19108 1 595 . 1 1 65 65 GLY HA3 H 1 3.945 . . . . . . A 65 GLY HA3 . 19108 1 596 . 1 1 65 65 GLY CA C 13 45.983 . . . . . . A 65 GLY CA . 19108 1 597 . 1 1 65 65 GLY N N 15 108.894 . . . . . . A 65 GLY N . 19108 1 598 . 1 1 66 66 PHE H H 1 7.699 . . . . . . A 66 PHE H . 19108 1 599 . 1 1 66 66 PHE HA H 1 3.917 . . . . . . A 66 PHE HA . 19108 1 600 . 1 1 66 66 PHE HB3 H 1 2.915 . . . . . . A 66 PHE HB3 . 19108 1 601 . 1 1 66 66 PHE CA C 13 55.940 . . . . . . A 66 PHE CA . 19108 1 602 . 1 1 66 66 PHE CB C 13 40.268 . . . . . . A 66 PHE CB . 19108 1 603 . 1 1 66 66 PHE N N 15 118.711 . . . . . . A 66 PHE N . 19108 1 604 . 1 1 67 67 TYR H H 1 8.568 . . . . . . A 67 TYR H . 19108 1 605 . 1 1 67 67 TYR HA H 1 4.300 . . . . . . A 67 TYR HA . 19108 1 606 . 1 1 67 67 TYR HB2 H 1 2.814 . . . . . . A 67 TYR HB2 . 19108 1 607 . 1 1 67 67 TYR HB3 H 1 3.162 . . . . . . A 67 TYR HB3 . 19108 1 608 . 1 1 67 67 TYR HD2 H 1 7.091 . . . . . . A 67 TYR HD2 . 19108 1 609 . 1 1 67 67 TYR HE2 H 1 6.777 . . . . . . A 67 TYR HE2 . 19108 1 610 . 1 1 67 67 TYR CA C 13 58.764 . . . . . . A 67 TYR CA . 19108 1 611 . 1 1 67 67 TYR CB C 13 38.153 . . . . . . A 67 TYR CB . 19108 1 612 . 1 1 67 67 TYR CD2 C 13 132.874 . . . . . . A 67 TYR CD2 . 19108 1 613 . 1 1 67 67 TYR CE2 C 13 118.275 . . . . . . A 67 TYR CE2 . 19108 1 614 . 1 1 67 67 TYR N N 15 124.623 . . . . . . A 67 TYR N . 19108 1 615 . 1 1 69 69 ARG H H 1 8.313 . . . . . . A 69 ARG H . 19108 1 616 . 1 1 69 69 ARG CA C 13 57.057 . . . . . . A 69 ARG CA . 19108 1 617 . 1 1 69 69 ARG CB C 13 32.296 . . . . . . A 69 ARG CB . 19108 1 618 . 1 1 69 69 ARG N N 15 121.427 . . . . . . A 69 ARG N . 19108 1 619 . 1 1 70 70 HIS H H 1 9.182 . . . . . . A 70 HIS H . 19108 1 620 . 1 1 70 70 HIS HA H 1 4.782 . . . . . . A 70 HIS HA . 19108 1 621 . 1 1 70 70 HIS CA C 13 56.716 . . . . . . A 70 HIS CA . 19108 1 622 . 1 1 70 70 HIS CB C 13 31.776 . . . . . . A 70 HIS CB . 19108 1 623 . 1 1 70 70 HIS N N 15 128.351 . . . . . . A 70 HIS N . 19108 1 624 . 1 1 71 71 ALA H H 1 8.968 . . . . . . A 71 ALA H . 19108 1 625 . 1 1 71 71 ALA HA H 1 3.357 . . . . . . A 71 ALA HA . 19108 1 626 . 1 1 71 71 ALA HB1 H 1 1.008 . . . . . . A 71 ALA HB1 . 19108 1 627 . 1 1 71 71 ALA HB2 H 1 1.008 . . . . . . A 71 ALA HB2 . 19108 1 628 . 1 1 71 71 ALA HB3 H 1 1.008 . . . . . . A 71 ALA HB3 . 19108 1 629 . 1 1 71 71 ALA CA C 13 55.782 . . . . . . A 71 ALA CA . 19108 1 630 . 1 1 71 71 ALA CB C 13 18.010 . . . . . . A 71 ALA CB . 19108 1 631 . 1 1 71 71 ALA N N 15 125.649 . . . . . . A 71 ALA N . 19108 1 632 . 1 1 72 72 GLU H H 1 12.692 . . . . . . A 72 GLU H . 19108 1 633 . 1 1 72 72 GLU HA H 1 2.977 . . . . . . A 72 GLU HA . 19108 1 634 . 1 1 72 72 GLU HB2 H 1 1.801 . . . . . . A 72 GLU HB2 . 19108 1 635 . 1 1 72 72 GLU HB3 H 1 2.472 . . . . . . A 72 GLU HB3 . 19108 1 636 . 1 1 72 72 GLU CA C 13 60.956 . . . . . . A 72 GLU CA . 19108 1 637 . 1 1 72 72 GLU CB C 13 28.006 . . . . . . A 72 GLU CB . 19108 1 638 . 1 1 72 72 GLU N N 15 119.941 . . . . . . A 72 GLU N . 19108 1 639 . 1 1 73 73 LEU H H 1 6.637 . . . . . . A 73 LEU H . 19108 1 640 . 1 1 73 73 LEU HA H 1 3.585 . . . . . . A 73 LEU HA . 19108 1 641 . 1 1 73 73 LEU HB2 H 1 1.723 . . . . . . A 73 LEU HB2 . 19108 1 642 . 1 1 73 73 LEU HB3 H 1 1.924 . . . . . . A 73 LEU HB3 . 19108 1 643 . 1 1 73 73 LEU HG H 1 0.985 . . . . . . A 73 LEU HG . 19108 1 644 . 1 1 73 73 LEU HD11 H 1 0.801 . . . . . . A 73 LEU HD11 . 19108 1 645 . 1 1 73 73 LEU HD12 H 1 0.801 . . . . . . A 73 LEU HD12 . 19108 1 646 . 1 1 73 73 LEU HD13 H 1 0.801 . . . . . . A 73 LEU HD13 . 19108 1 647 . 1 1 73 73 LEU HD21 H 1 0.793 . . . . . . A 73 LEU HD21 . 19108 1 648 . 1 1 73 73 LEU HD22 H 1 0.793 . . . . . . A 73 LEU HD22 . 19108 1 649 . 1 1 73 73 LEU HD23 H 1 0.793 . . . . . . A 73 LEU HD23 . 19108 1 650 . 1 1 73 73 LEU CA C 13 56.661 . . . . . . A 73 LEU CA . 19108 1 651 . 1 1 73 73 LEU CB C 13 39.245 . . . . . . A 73 LEU CB . 19108 1 652 . 1 1 73 73 LEU CD2 C 13 26.617 . . . . . . A 73 LEU CD2 . 19108 1 653 . 1 1 73 73 LEU N N 15 114.882 . . . . . . A 73 LEU N . 19108 1 654 . 1 1 74 74 ARG H H 1 7.556 . . . . . . A 74 ARG H . 19108 1 655 . 1 1 74 74 ARG HB3 H 1 1.906 . . . . . . A 74 ARG HB3 . 19108 1 656 . 1 1 74 74 ARG CA C 13 59.042 . . . . . . A 74 ARG CA . 19108 1 657 . 1 1 74 74 ARG CB C 13 29.175 . . . . . . A 74 ARG CB . 19108 1 658 . 1 1 74 74 ARG N N 15 117.799 . . . . . . A 74 ARG N . 19108 1 659 . 1 1 75 75 PHE H H 1 8.233 . . . . . . A 75 PHE H . 19108 1 660 . 1 1 75 75 PHE HA H 1 3.561 . . . . . . A 75 PHE HA . 19108 1 661 . 1 1 75 75 PHE HB2 H 1 2.317 . . . . . . A 75 PHE HB2 . 19108 1 662 . 1 1 75 75 PHE HB3 H 1 3.036 . . . . . . A 75 PHE HB3 . 19108 1 663 . 1 1 75 75 PHE HD2 H 1 6.589 . . . . . . A 75 PHE HD2 . 19108 1 664 . 1 1 75 75 PHE HE2 H 1 6.524 . . . . . . A 75 PHE HE2 . 19108 1 665 . 1 1 75 75 PHE HZ H 1 6.781 . . . . . . A 75 PHE HZ . 19108 1 666 . 1 1 75 75 PHE CA C 13 61.674 . . . . . . A 75 PHE CA . 19108 1 667 . 1 1 75 75 PHE CB C 13 38.038 . . . . . . A 75 PHE CB . 19108 1 668 . 1 1 75 75 PHE N N 15 119.783 . . . . . . A 75 PHE N . 19108 1 669 . 1 1 76 76 LEU H H 1 7.629 . . . . . . A 76 LEU H . 19108 1 670 . 1 1 76 76 LEU HA H 1 3.558 . . . . . . A 76 LEU HA . 19108 1 671 . 1 1 76 76 LEU HB2 H 1 1.312 . . . . . . A 76 LEU HB2 . 19108 1 672 . 1 1 76 76 LEU HB3 H 1 2.047 . . . . . . A 76 LEU HB3 . 19108 1 673 . 1 1 76 76 LEU HG H 1 2.093 . . . . . . A 76 LEU HG . 19108 1 674 . 1 1 76 76 LEU HD11 H 1 0.829 . . . . . . A 76 LEU HD11 . 19108 1 675 . 1 1 76 76 LEU HD12 H 1 0.829 . . . . . . A 76 LEU HD12 . 19108 1 676 . 1 1 76 76 LEU HD13 H 1 0.829 . . . . . . A 76 LEU HD13 . 19108 1 677 . 1 1 76 76 LEU HD21 H 1 0.264 . . . . . . A 76 LEU HD21 . 19108 1 678 . 1 1 76 76 LEU HD22 H 1 0.264 . . . . . . A 76 LEU HD22 . 19108 1 679 . 1 1 76 76 LEU HD23 H 1 0.264 . . . . . . A 76 LEU HD23 . 19108 1 680 . 1 1 76 76 LEU CA C 13 58.039 . . . . . . A 76 LEU CA . 19108 1 681 . 1 1 76 76 LEU CB C 13 39.016 . . . . . . A 76 LEU CB . 19108 1 682 . 1 1 76 76 LEU CG C 13 26.047 . . . . . . A 76 LEU CG . 19108 1 683 . 1 1 76 76 LEU CD1 C 13 25.863 . . . . . . A 76 LEU CD1 . 19108 1 684 . 1 1 76 76 LEU CD2 C 13 21.182 . . . . . . A 76 LEU CD2 . 19108 1 685 . 1 1 76 76 LEU N N 15 119.526 . . . . . . A 76 LEU N . 19108 1 686 . 1 1 77 77 ASP H H 1 8.190 . . . . . . A 77 ASP H . 19108 1 687 . 1 1 77 77 ASP HA H 1 4.158 . . . . . . A 77 ASP HA . 19108 1 688 . 1 1 77 77 ASP HB2 H 1 2.588 . . . . . . A 77 ASP HB2 . 19108 1 689 . 1 1 77 77 ASP HB3 H 1 2.825 . . . . . . A 77 ASP HB3 . 19108 1 690 . 1 1 77 77 ASP CA C 13 56.400 . . . . . . A 77 ASP CA . 19108 1 691 . 1 1 77 77 ASP CB C 13 40.368 . . . . . . A 77 ASP CB . 19108 1 692 . 1 1 77 77 ASP N N 15 118.215 . . . . . . A 77 ASP N . 19108 1 693 . 1 1 78 78 LEU H H 1 7.252 . . . . . . A 78 LEU H . 19108 1 694 . 1 1 78 78 LEU HA H 1 4.290 . . . . . . A 78 LEU HA . 19108 1 695 . 1 1 78 78 LEU HB2 H 1 1.412 . . . . . . A 78 LEU HB2 . 19108 1 696 . 1 1 78 78 LEU HB3 H 1 1.447 . . . . . . A 78 LEU HB3 . 19108 1 697 . 1 1 78 78 LEU HG H 1 1.625 . . . . . . A 78 LEU HG . 19108 1 698 . 1 1 78 78 LEU HD11 H 1 0.564 . . . . . . A 78 LEU HD11 . 19108 1 699 . 1 1 78 78 LEU HD12 H 1 0.564 . . . . . . A 78 LEU HD12 . 19108 1 700 . 1 1 78 78 LEU HD13 H 1 0.564 . . . . . . A 78 LEU HD13 . 19108 1 701 . 1 1 78 78 LEU HD21 H 1 0.380 . . . . . . A 78 LEU HD21 . 19108 1 702 . 1 1 78 78 LEU HD22 H 1 0.380 . . . . . . A 78 LEU HD22 . 19108 1 703 . 1 1 78 78 LEU HD23 H 1 0.380 . . . . . . A 78 LEU HD23 . 19108 1 704 . 1 1 78 78 LEU CA C 13 54.985 . . . . . . A 78 LEU CA . 19108 1 705 . 1 1 78 78 LEU CB C 13 42.401 . . . . . . A 78 LEU CB . 19108 1 706 . 1 1 78 78 LEU CG C 13 25.588 . . . . . . A 78 LEU CG . 19108 1 707 . 1 1 78 78 LEU CD1 C 13 25.556 . . . . . . A 78 LEU CD1 . 19108 1 708 . 1 1 78 78 LEU CD2 C 13 23.940 . . . . . . A 78 LEU CD2 . 19108 1 709 . 1 1 78 78 LEU N N 15 117.496 . . . . . . A 78 LEU N . 19108 1 710 . 1 1 79 79 VAL H H 1 7.179 . . . . . . A 79 VAL H . 19108 1 711 . 1 1 79 79 VAL HA H 1 3.223 . . . . . . A 79 VAL HA . 19108 1 712 . 1 1 79 79 VAL HB H 1 2.174 . . . . . . A 79 VAL HB . 19108 1 713 . 1 1 79 79 VAL HG11 H 1 0.595 . . . . . . A 79 VAL HG11 . 19108 1 714 . 1 1 79 79 VAL HG12 H 1 0.595 . . . . . . A 79 VAL HG12 . 19108 1 715 . 1 1 79 79 VAL HG13 H 1 0.595 . . . . . . A 79 VAL HG13 . 19108 1 716 . 1 1 79 79 VAL HG21 H 1 0.971 . . . . . . A 79 VAL HG21 . 19108 1 717 . 1 1 79 79 VAL HG22 H 1 0.971 . . . . . . A 79 VAL HG22 . 19108 1 718 . 1 1 79 79 VAL HG23 H 1 0.971 . . . . . . A 79 VAL HG23 . 19108 1 719 . 1 1 79 79 VAL CA C 13 68.528 . . . . . . A 79 VAL CA . 19108 1 720 . 1 1 79 79 VAL CB C 13 29.120 . . . . . . A 79 VAL CB . 19108 1 721 . 1 1 79 79 VAL CG1 C 13 24.716 . . . . . . A 79 VAL CG1 . 19108 1 722 . 1 1 79 79 VAL CG2 C 13 21.550 . . . . . . A 79 VAL CG2 . 19108 1 723 . 1 1 79 79 VAL N N 15 120.915 . . . . . . A 79 VAL N . 19108 1 724 . 1 1 80 80 PRO HA H 1 3.975 . . . . . . A 80 PRO HA . 19108 1 725 . 1 1 80 80 PRO HG3 H 1 1.831 . . . . . . A 80 PRO HG3 . 19108 1 726 . 1 1 80 80 PRO HD3 H 1 3.597 . . . . . . A 80 PRO HD3 . 19108 1 727 . 1 1 80 80 PRO CA C 13 66.787 . . . . . . A 80 PRO CA . 19108 1 728 . 1 1 80 80 PRO CB C 13 29.808 . . . . . . A 80 PRO CB . 19108 1 729 . 1 1 81 81 SER H H 1 7.828 . . . . . . A 81 SER H . 19108 1 730 . 1 1 81 81 SER HA H 1 4.314 . . . . . . A 81 SER HA . 19108 1 731 . 1 1 81 81 SER HB3 H 1 4.011 . . . . . . A 81 SER HB3 . 19108 1 732 . 1 1 81 81 SER CA C 13 60.618 . . . . . . A 81 SER CA . 19108 1 733 . 1 1 81 81 SER CB C 13 63.450 . . . . . . A 81 SER CB . 19108 1 734 . 1 1 81 81 SER N N 15 112.727 . . . . . . A 81 SER N . 19108 1 735 . 1 1 82 82 LEU H H 1 7.912 . . . . . . A 82 LEU H . 19108 1 736 . 1 1 82 82 LEU HA H 1 3.874 . . . . . . A 82 LEU HA . 19108 1 737 . 1 1 82 82 LEU HB2 H 1 0.942 . . . . . . A 82 LEU HB2 . 19108 1 738 . 1 1 82 82 LEU HG H 1 1.565 . . . . . . A 82 LEU HG . 19108 1 739 . 1 1 82 82 LEU HD11 H 1 0.515 . . . . . . A 82 LEU HD11 . 19108 1 740 . 1 1 82 82 LEU HD12 H 1 0.515 . . . . . . A 82 LEU HD12 . 19108 1 741 . 1 1 82 82 LEU HD13 H 1 0.515 . . . . . . A 82 LEU HD13 . 19108 1 742 . 1 1 82 82 LEU HD21 H 1 0.474 . . . . . . A 82 LEU HD21 . 19108 1 743 . 1 1 82 82 LEU HD22 H 1 0.474 . . . . . . A 82 LEU HD22 . 19108 1 744 . 1 1 82 82 LEU HD23 H 1 0.474 . . . . . . A 82 LEU HD23 . 19108 1 745 . 1 1 82 82 LEU CA C 13 55.492 . . . . . . A 82 LEU CA . 19108 1 746 . 1 1 82 82 LEU CB C 13 40.211 . . . . . . A 82 LEU CB . 19108 1 747 . 1 1 82 82 LEU CG C 13 25.750 . . . . . . A 82 LEU CG . 19108 1 748 . 1 1 82 82 LEU CD1 C 13 25.262 . . . . . . A 82 LEU CD1 . 19108 1 749 . 1 1 82 82 LEU CD2 C 13 20.931 . . . . . . A 82 LEU CD2 . 19108 1 750 . 1 1 82 82 LEU N N 15 120.918 . . . . . . A 82 LEU N . 19108 1 751 . 1 1 83 83 GLN H H 1 7.458 . . . . . . A 83 GLN H . 19108 1 752 . 1 1 83 83 GLN HA H 1 3.808 . . . . . . A 83 GLN HA . 19108 1 753 . 1 1 83 83 GLN HB2 H 1 2.115 . . . . . . A 83 GLN HB2 . 19108 1 754 . 1 1 83 83 GLN HB3 H 1 2.252 . . . . . . A 83 GLN HB3 . 19108 1 755 . 1 1 83 83 GLN HG3 H 1 2.265 . . . . . . A 83 GLN HG3 . 19108 1 756 . 1 1 83 83 GLN HE21 H 1 7.480 . . . . . . A 83 GLN HE21 . 19108 1 757 . 1 1 83 83 GLN HE22 H 1 6.831 . . . . . . A 83 GLN HE22 . 19108 1 758 . 1 1 83 83 GLN CA C 13 56.166 . . . . . . A 83 GLN CA . 19108 1 759 . 1 1 83 83 GLN CB C 13 26.668 . . . . . . A 83 GLN CB . 19108 1 760 . 1 1 83 83 GLN N N 15 111.397 . . . . . . A 83 GLN N . 19108 1 761 . 1 1 83 83 GLN NE2 N 15 112.027 . . . . . . A 83 GLN NE2 . 19108 1 762 . 1 1 84 84 LEU H H 1 8.736 . . . . . . A 84 LEU H . 19108 1 763 . 1 1 84 84 LEU HA H 1 3.719 . . . . . . A 84 LEU HA . 19108 1 764 . 1 1 84 84 LEU HB2 H 1 0.631 . . . . . . A 84 LEU HB2 . 19108 1 765 . 1 1 84 84 LEU HB3 H 1 1.579 . . . . . . A 84 LEU HB3 . 19108 1 766 . 1 1 84 84 LEU HG H 1 1.345 . . . . . . A 84 LEU HG . 19108 1 767 . 1 1 84 84 LEU HD11 H 1 0.371 . . . . . . A 84 LEU HD11 . 19108 1 768 . 1 1 84 84 LEU HD12 H 1 0.371 . . . . . . A 84 LEU HD12 . 19108 1 769 . 1 1 84 84 LEU HD13 H 1 0.371 . . . . . . A 84 LEU HD13 . 19108 1 770 . 1 1 84 84 LEU HD21 H 1 -0.127 . . . . . . A 84 LEU HD21 . 19108 1 771 . 1 1 84 84 LEU HD22 H 1 -0.127 . . . . . . A 84 LEU HD22 . 19108 1 772 . 1 1 84 84 LEU HD23 H 1 -0.127 . . . . . . A 84 LEU HD23 . 19108 1 773 . 1 1 84 84 LEU CA C 13 54.742 . . . . . . A 84 LEU CA . 19108 1 774 . 1 1 84 84 LEU CB C 13 39.245 . . . . . . A 84 LEU CB . 19108 1 775 . 1 1 84 84 LEU CG C 13 25.536 . . . . . . A 84 LEU CG . 19108 1 776 . 1 1 84 84 LEU CD1 C 13 24.100 . . . . . . A 84 LEU CD1 . 19108 1 777 . 1 1 84 84 LEU CD2 C 13 20.374 . . . . . . A 84 LEU CD2 . 19108 1 778 . 1 1 84 84 LEU N N 15 118.520 . . . . . . A 84 LEU N . 19108 1 779 . 1 1 85 85 ASP H H 1 8.415 . . . . . . A 85 ASP H . 19108 1 780 . 1 1 85 85 ASP HA H 1 4.883 . . . . . . A 85 ASP HA . 19108 1 781 . 1 1 85 85 ASP HB2 H 1 2.744 . . . . . . A 85 ASP HB2 . 19108 1 782 . 1 1 85 85 ASP HB3 H 1 3.182 . . . . . . A 85 ASP HB3 . 19108 1 783 . 1 1 85 85 ASP CA C 13 51.346 . . . . . . A 85 ASP CA . 19108 1 784 . 1 1 85 85 ASP CB C 13 42.948 . . . . . . A 85 ASP CB . 19108 1 785 . 1 1 85 85 ASP N N 15 126.187 . . . . . . A 85 ASP N . 19108 1 786 . 1 1 86 86 PRO HA H 1 3.928 . . . . . . A 86 PRO HA . 19108 1 787 . 1 1 86 86 PRO HB3 H 1 1.837 . . . . . . A 86 PRO HB3 . 19108 1 788 . 1 1 86 86 PRO HD2 H 1 3.707 . . . . . . A 86 PRO HD2 . 19108 1 789 . 1 1 86 86 PRO HD3 H 1 3.946 . . . . . . A 86 PRO HD3 . 19108 1 790 . 1 1 86 86 PRO CA C 13 63.638 . . . . . . A 86 PRO CA . 19108 1 791 . 1 1 86 86 PRO CB C 13 31.286 . . . . . . A 86 PRO CB . 19108 1 792 . 1 1 87 87 ALA H H 1 8.504 . . . . . . A 87 ALA H . 19108 1 793 . 1 1 87 87 ALA HA H 1 4.418 . . . . . . A 87 ALA HA . 19108 1 794 . 1 1 87 87 ALA HB1 H 1 1.434 . . . . . . A 87 ALA HB1 . 19108 1 795 . 1 1 87 87 ALA HB2 H 1 1.434 . . . . . . A 87 ALA HB2 . 19108 1 796 . 1 1 87 87 ALA HB3 H 1 1.434 . . . . . . A 87 ALA HB3 . 19108 1 797 . 1 1 87 87 ALA CA C 13 52.172 . . . . . . A 87 ALA CA . 19108 1 798 . 1 1 87 87 ALA CB C 13 19.348 . . . . . . A 87 ALA CB . 19108 1 799 . 1 1 87 87 ALA N N 15 121.030 . . . . . . A 87 ALA N . 19108 1 800 . 1 1 88 88 GLN H H 1 8.125 . . . . . . A 88 GLN H . 19108 1 801 . 1 1 88 88 GLN HA H 1 4.522 . . . . . . A 88 GLN HA . 19108 1 802 . 1 1 88 88 GLN HB2 H 1 1.891 . . . . . . A 88 GLN HB2 . 19108 1 803 . 1 1 88 88 GLN HB3 H 1 2.131 . . . . . . A 88 GLN HB3 . 19108 1 804 . 1 1 88 88 GLN HG2 H 1 2.185 . . . . . . A 88 GLN HG2 . 19108 1 805 . 1 1 88 88 GLN HG3 H 1 2.280 . . . . . . A 88 GLN HG3 . 19108 1 806 . 1 1 88 88 GLN HE21 H 1 7.649 . . . . . . A 88 GLN HE21 . 19108 1 807 . 1 1 88 88 GLN HE22 H 1 6.810 . . . . . . A 88 GLN HE22 . 19108 1 808 . 1 1 88 88 GLN CA C 13 53.434 . . . . . . A 88 GLN CA . 19108 1 809 . 1 1 88 88 GLN CB C 13 30.049 . . . . . . A 88 GLN CB . 19108 1 810 . 1 1 88 88 GLN N N 15 119.601 . . . . . . A 88 GLN N . 19108 1 811 . 1 1 88 88 GLN NE2 N 15 112.740 . . . . . . A 88 GLN NE2 . 19108 1 812 . 1 1 89 89 ILE H H 1 8.099 . . . . . . A 89 ILE H . 19108 1 813 . 1 1 89 89 ILE HA H 1 4.969 . . . . . . A 89 ILE HA . 19108 1 814 . 1 1 89 89 ILE HB H 1 1.742 . . . . . . A 89 ILE HB . 19108 1 815 . 1 1 89 89 ILE HG12 H 1 1.155 . . . . . . A 89 ILE HG12 . 19108 1 816 . 1 1 89 89 ILE HG13 H 1 1.516 . . . . . . A 89 ILE HG13 . 19108 1 817 . 1 1 89 89 ILE HG21 H 1 0.840 . . . . . . A 89 ILE HG21 . 19108 1 818 . 1 1 89 89 ILE HG22 H 1 0.840 . . . . . . A 89 ILE HG22 . 19108 1 819 . 1 1 89 89 ILE HG23 H 1 0.840 . . . . . . A 89 ILE HG23 . 19108 1 820 . 1 1 89 89 ILE HD11 H 1 0.851 . . . . . . A 89 ILE HD11 . 19108 1 821 . 1 1 89 89 ILE HD12 H 1 0.851 . . . . . . A 89 ILE HD12 . 19108 1 822 . 1 1 89 89 ILE HD13 H 1 0.851 . . . . . . A 89 ILE HD13 . 19108 1 823 . 1 1 89 89 ILE CA C 13 59.541 . . . . . . A 89 ILE CA . 19108 1 824 . 1 1 89 89 ILE CB C 13 39.252 . . . . . . A 89 ILE CB . 19108 1 825 . 1 1 89 89 ILE CG1 C 13 27.443 . . . . . . A 89 ILE CG1 . 19108 1 826 . 1 1 89 89 ILE CG2 C 13 17.926 . . . . . . A 89 ILE CG2 . 19108 1 827 . 1 1 89 89 ILE CD1 C 13 12.427 . . . . . . A 89 ILE CD1 . 19108 1 828 . 1 1 89 89 ILE N N 15 118.195 . . . . . . A 89 ILE N . 19108 1 829 . 1 1 90 90 TYR H H 1 8.892 . . . . . . A 90 TYR H . 19108 1 830 . 1 1 90 90 TYR HA H 1 5.361 . . . . . . A 90 TYR HA . 19108 1 831 . 1 1 90 90 TYR HB2 H 1 2.581 . . . . . . A 90 TYR HB2 . 19108 1 832 . 1 1 90 90 TYR HB3 H 1 2.878 . . . . . . A 90 TYR HB3 . 19108 1 833 . 1 1 90 90 TYR HD2 H 1 7.023 . . . . . . A 90 TYR HD2 . 19108 1 834 . 1 1 90 90 TYR HE2 H 1 7.033 . . . . . . A 90 TYR HE2 . 19108 1 835 . 1 1 90 90 TYR CA C 13 56.040 . . . . . . A 90 TYR CA . 19108 1 836 . 1 1 90 90 TYR CB C 13 42.826 . . . . . . A 90 TYR CB . 19108 1 837 . 1 1 90 90 TYR N N 15 122.421 . . . . . . A 90 TYR N . 19108 1 838 . 1 1 91 91 ARG H H 1 9.327 . . . . . . A 91 ARG H . 19108 1 839 . 1 1 91 91 ARG HA H 1 5.243 . . . . . . A 91 ARG HA . 19108 1 840 . 1 1 91 91 ARG HB3 H 1 1.429 . . . . . . A 91 ARG HB3 . 19108 1 841 . 1 1 91 91 ARG CA C 13 54.535 . . . . . . A 91 ARG CA . 19108 1 842 . 1 1 91 91 ARG CB C 13 33.132 . . . . . . A 91 ARG CB . 19108 1 843 . 1 1 91 91 ARG N N 15 121.043 . . . . . . A 91 ARG N . 19108 1 844 . 1 1 92 92 VAL H H 1 9.668 . . . . . . A 92 VAL H . 19108 1 845 . 1 1 92 92 VAL HA H 1 4.924 . . . . . . A 92 VAL HA . 19108 1 846 . 1 1 92 92 VAL HB H 1 1.861 . . . . . . A 92 VAL HB . 19108 1 847 . 1 1 92 92 VAL HG11 H 1 1.067 . . . . . . A 92 VAL HG11 . 19108 1 848 . 1 1 92 92 VAL HG12 H 1 1.067 . . . . . . A 92 VAL HG12 . 19108 1 849 . 1 1 92 92 VAL HG13 H 1 1.067 . . . . . . A 92 VAL HG13 . 19108 1 850 . 1 1 92 92 VAL HG21 H 1 0.757 . . . . . . A 92 VAL HG21 . 19108 1 851 . 1 1 92 92 VAL HG22 H 1 0.757 . . . . . . A 92 VAL HG22 . 19108 1 852 . 1 1 92 92 VAL HG23 H 1 0.757 . . . . . . A 92 VAL HG23 . 19108 1 853 . 1 1 92 92 VAL CA C 13 60.905 . . . . . . A 92 VAL CA . 19108 1 854 . 1 1 92 92 VAL CB C 13 32.853 . . . . . . A 92 VAL CB . 19108 1 855 . 1 1 92 92 VAL CG1 C 13 21.602 . . . . . . A 92 VAL CG1 . 19108 1 856 . 1 1 92 92 VAL CG2 C 13 22.466 . . . . . . A 92 VAL CG2 . 19108 1 857 . 1 1 92 92 VAL N N 15 132.287 . . . . . . A 92 VAL N . 19108 1 858 . 1 1 93 93 THR H H 1 9.381 . . . . . . A 93 THR H . 19108 1 859 . 1 1 93 93 THR HA H 1 5.264 . . . . . . A 93 THR HA . 19108 1 860 . 1 1 93 93 THR HB H 1 4.030 . . . . . . A 93 THR HB . 19108 1 861 . 1 1 93 93 THR HG21 H 1 0.768 . . . . . . A 93 THR HG21 . 19108 1 862 . 1 1 93 93 THR HG22 H 1 0.768 . . . . . . A 93 THR HG22 . 19108 1 863 . 1 1 93 93 THR HG23 H 1 0.768 . . . . . . A 93 THR HG23 . 19108 1 864 . 1 1 93 93 THR CA C 13 61.616 . . . . . . A 93 THR CA . 19108 1 865 . 1 1 93 93 THR CB C 13 70.082 . . . . . . A 93 THR CB . 19108 1 866 . 1 1 93 93 THR N N 15 124.468 . . . . . . A 93 THR N . 19108 1 867 . 1 1 94 94 TRP H H 1 9.071 . . . . . . A 94 TRP H . 19108 1 868 . 1 1 94 94 TRP HA H 1 5.666 . . . . . . A 94 TRP HA . 19108 1 869 . 1 1 94 94 TRP HB2 H 1 2.739 . . . . . . A 94 TRP HB2 . 19108 1 870 . 1 1 94 94 TRP HD1 H 1 6.467 . . . . . . A 94 TRP HD1 . 19108 1 871 . 1 1 94 94 TRP HE1 H 1 5.544 . . . . . . A 94 TRP HE1 . 19108 1 872 . 1 1 94 94 TRP HE3 H 1 7.133 . . . . . . A 94 TRP HE3 . 19108 1 873 . 1 1 94 94 TRP HZ2 H 1 6.978 . . . . . . A 94 TRP HZ2 . 19108 1 874 . 1 1 94 94 TRP HZ3 H 1 6.976 . . . . . . A 94 TRP HZ3 . 19108 1 875 . 1 1 94 94 TRP HH2 H 1 6.825 . . . . . . A 94 TRP HH2 . 19108 1 876 . 1 1 94 94 TRP CA C 13 52.205 . . . . . . A 94 TRP CA . 19108 1 877 . 1 1 94 94 TRP CB C 13 33.668 . . . . . . A 94 TRP CB . 19108 1 878 . 1 1 94 94 TRP N N 15 124.491 . . . . . . A 94 TRP N . 19108 1 879 . 1 1 94 94 TRP NE1 N 15 118.865 . . . . . . A 94 TRP NE1 . 19108 1 880 . 1 1 95 95 PHE H H 1 9.578 . . . . . . A 95 PHE H . 19108 1 881 . 1 1 95 95 PHE HA H 1 5.670 . . . . . . A 95 PHE HA . 19108 1 882 . 1 1 95 95 PHE HB3 H 1 2.950 . . . . . . A 95 PHE HB3 . 19108 1 883 . 1 1 95 95 PHE HD1 H 1 6.921 . . . . . . A 95 PHE HD1 . 19108 1 884 . 1 1 95 95 PHE HE1 H 1 6.828 . . . . . . A 95 PHE HE1 . 19108 1 885 . 1 1 95 95 PHE CA C 13 56.774 . . . . . . A 95 PHE CA . 19108 1 886 . 1 1 95 95 PHE CB C 13 39.449 . . . . . . A 95 PHE CB . 19108 1 887 . 1 1 95 95 PHE N N 15 122.179 . . . . . . A 95 PHE N . 19108 1 888 . 1 1 96 96 ILE H H 1 9.816 . . . . . . A 96 ILE H . 19108 1 889 . 1 1 96 96 ILE HA H 1 5.973 . . . . . . A 96 ILE HA . 19108 1 890 . 1 1 96 96 ILE HB H 1 1.600 . . . . . . A 96 ILE HB . 19108 1 891 . 1 1 96 96 ILE HG12 H 1 0.890 . . . . . . A 96 ILE HG12 . 19108 1 892 . 1 1 96 96 ILE HG13 H 1 1.912 . . . . . . A 96 ILE HG13 . 19108 1 893 . 1 1 96 96 ILE HG21 H 1 1.044 . . . . . . A 96 ILE HG21 . 19108 1 894 . 1 1 96 96 ILE HG22 H 1 1.044 . . . . . . A 96 ILE HG22 . 19108 1 895 . 1 1 96 96 ILE HG23 H 1 1.044 . . . . . . A 96 ILE HG23 . 19108 1 896 . 1 1 96 96 ILE HD11 H 1 0.809 . . . . . . A 96 ILE HD11 . 19108 1 897 . 1 1 96 96 ILE HD12 H 1 0.809 . . . . . . A 96 ILE HD12 . 19108 1 898 . 1 1 96 96 ILE HD13 H 1 0.809 . . . . . . A 96 ILE HD13 . 19108 1 899 . 1 1 96 96 ILE CA C 13 58.427 . . . . . . A 96 ILE CA . 19108 1 900 . 1 1 96 96 ILE CB C 13 45.073 . . . . . . A 96 ILE CB . 19108 1 901 . 1 1 96 96 ILE CG1 C 13 29.008 . . . . . . A 96 ILE CG1 . 19108 1 902 . 1 1 96 96 ILE CG2 C 13 13.963 . . . . . . A 96 ILE CG2 . 19108 1 903 . 1 1 96 96 ILE CD1 C 13 14.896 . . . . . . A 96 ILE CD1 . 19108 1 904 . 1 1 96 96 ILE N N 15 125.072 . . . . . . A 96 ILE N . 19108 1 905 . 1 1 97 97 SER H H 1 9.156 . . . . . . A 97 SER H . 19108 1 906 . 1 1 97 97 SER HA H 1 3.623 . . . . . . A 97 SER HA . 19108 1 907 . 1 1 97 97 SER HB2 H 1 2.454 . . . . . . A 97 SER HB2 . 19108 1 908 . 1 1 97 97 SER HB3 H 1 4.029 . . . . . . A 97 SER HB3 . 19108 1 909 . 1 1 97 97 SER HG H 1 5.473 . . . . . . A 97 SER HG . 19108 1 910 . 1 1 97 97 SER CA C 13 61.750 . . . . . . A 97 SER CA . 19108 1 911 . 1 1 97 97 SER CB C 13 63.711 . . . . . . A 97 SER CB . 19108 1 912 . 1 1 97 97 SER N N 15 124.020 . . . . . . A 97 SER N . 19108 1 913 . 1 1 98 98 TRP H H 1 6.619 . . . . . . A 98 TRP H . 19108 1 914 . 1 1 98 98 TRP HA H 1 5.339 . . . . . . A 98 TRP HA . 19108 1 915 . 1 1 98 98 TRP HD1 H 1 7.686 . . . . . . A 98 TRP HD1 . 19108 1 916 . 1 1 98 98 TRP HE1 H 1 10.302 . . . . . . A 98 TRP HE1 . 19108 1 917 . 1 1 98 98 TRP HE3 H 1 6.392 . . . . . . A 98 TRP HE3 . 19108 1 918 . 1 1 98 98 TRP HZ2 H 1 7.679 . . . . . . A 98 TRP HZ2 . 19108 1 919 . 1 1 98 98 TRP HZ3 H 1 6.224 . . . . . . A 98 TRP HZ3 . 19108 1 920 . 1 1 98 98 TRP HH2 H 1 6.680 . . . . . . A 98 TRP HH2 . 19108 1 921 . 1 1 98 98 TRP CA C 13 54.671 . . . . . . A 98 TRP CA . 19108 1 922 . 1 1 98 98 TRP CB C 13 34.751 . . . . . . A 98 TRP CB . 19108 1 923 . 1 1 98 98 TRP N N 15 114.829 . . . . . . A 98 TRP N . 19108 1 924 . 1 1 98 98 TRP NE1 N 15 129.263 . . . . . . A 98 TRP NE1 . 19108 1 925 . 1 1 99 99 SER H H 1 8.590 . . . . . . A 99 SER H . 19108 1 926 . 1 1 99 99 SER HB3 H 1 3.731 . . . . . . A 99 SER HB3 . 19108 1 927 . 1 1 99 99 SER CA C 13 58.045 . . . . . . A 99 SER CA . 19108 1 928 . 1 1 99 99 SER CB C 13 61.927 . . . . . . A 99 SER CB . 19108 1 929 . 1 1 99 99 SER N N 15 115.444 . . . . . . A 99 SER N . 19108 1 930 . 1 1 100 100 PRO CA C 13 61.925 . . . . . . A 100 PRO CA . 19108 1 931 . 1 1 100 100 PRO CB C 13 34.796 . . . . . . A 100 PRO CB . 19108 1 932 . 1 1 101 101 CYS H H 1 8.686 . . . . . . A 101 CYS H . 19108 1 933 . 1 1 101 101 CYS CA C 13 58.659 . . . . . . A 101 CYS CA . 19108 1 934 . 1 1 101 101 CYS CB C 13 30.189 . . . . . . A 101 CYS CB . 19108 1 935 . 1 1 101 101 CYS N N 15 121.768 . . . . . . A 101 CYS N . 19108 1 936 . 1 1 102 102 PHE H H 1 9.318 . . . . . . A 102 PHE H . 19108 1 937 . 1 1 102 102 PHE HD2 H 1 6.938 . . . . . . A 102 PHE HD2 . 19108 1 938 . 1 1 102 102 PHE HE2 H 1 7.260 . . . . . . A 102 PHE HE2 . 19108 1 939 . 1 1 102 102 PHE CA C 13 58.960 . . . . . . A 102 PHE CA . 19108 1 940 . 1 1 102 102 PHE CB C 13 40.157 . . . . . . A 102 PHE CB . 19108 1 941 . 1 1 102 102 PHE CD2 C 13 131.780 . . . . . . A 102 PHE CD2 . 19108 1 942 . 1 1 102 102 PHE CE2 C 13 131.785 . . . . . . A 102 PHE CE2 . 19108 1 943 . 1 1 102 102 PHE N N 15 115.031 . . . . . . A 102 PHE N . 19108 1 944 . 1 1 103 103 SER H H 1 10.858 . . . . . . A 103 SER H . 19108 1 945 . 1 1 103 103 SER HA H 1 3.713 . . . . . . A 103 SER HA . 19108 1 946 . 1 1 103 103 SER HB2 H 1 4.101 . . . . . . A 103 SER HB2 . 19108 1 947 . 1 1 103 103 SER HB3 H 1 4.115 . . . . . . A 103 SER HB3 . 19108 1 948 . 1 1 103 103 SER CA C 13 63.368 . . . . . . A 103 SER CA . 19108 1 949 . 1 1 103 103 SER CB C 13 60.539 . . . . . . A 103 SER CB . 19108 1 950 . 1 1 103 103 SER N N 15 119.552 . . . . . . A 103 SER N . 19108 1 951 . 1 1 104 104 TRP H H 1 7.880 . . . . . . A 104 TRP H . 19108 1 952 . 1 1 104 104 TRP HA H 1 3.776 . . . . . . A 104 TRP HA . 19108 1 953 . 1 1 104 104 TRP HB3 H 1 3.180 . . . . . . A 104 TRP HB3 . 19108 1 954 . 1 1 104 104 TRP HD1 H 1 7.274 . . . . . . A 104 TRP HD1 . 19108 1 955 . 1 1 104 104 TRP HE1 H 1 10.233 . . . . . . A 104 TRP HE1 . 19108 1 956 . 1 1 104 104 TRP HE3 H 1 6.380 . . . . . . A 104 TRP HE3 . 19108 1 957 . 1 1 104 104 TRP HZ2 H 1 7.615 . . . . . . A 104 TRP HZ2 . 19108 1 958 . 1 1 104 104 TRP HH2 H 1 7.211 . . . . . . A 104 TRP HH2 . 19108 1 959 . 1 1 104 104 TRP CA C 13 59.214 . . . . . . A 104 TRP CA . 19108 1 960 . 1 1 104 104 TRP CB C 13 27.886 . . . . . . A 104 TRP CB . 19108 1 961 . 1 1 104 104 TRP CD1 C 13 127.366 . . . . . . A 104 TRP CD1 . 19108 1 962 . 1 1 104 104 TRP N N 15 117.909 . . . . . . A 104 TRP N . 19108 1 963 . 1 1 104 104 TRP NE1 N 15 130.528 . . . . . . A 104 TRP NE1 . 19108 1 964 . 1 1 105 105 GLY H H 1 7.468 . . . . . . A 105 GLY H . 19108 1 965 . 1 1 105 105 GLY HA2 H 1 3.693 . . . . . . A 105 GLY HA2 . 19108 1 966 . 1 1 105 105 GLY HA3 H 1 4.311 . . . . . . A 105 GLY HA3 . 19108 1 967 . 1 1 105 105 GLY CA C 13 46.081 . . . . . . A 105 GLY CA . 19108 1 968 . 1 1 105 105 GLY N N 15 106.359 . . . . . . A 105 GLY N . 19108 1 969 . 1 1 106 106 CYS H H 1 7.366 . . . . . . A 106 CYS H . 19108 1 970 . 1 1 106 106 CYS HA H 1 3.859 . . . . . . A 106 CYS HA . 19108 1 971 . 1 1 106 106 CYS HB2 H 1 2.708 . . . . . . A 106 CYS HB2 . 19108 1 972 . 1 1 106 106 CYS HB3 H 1 3.617 . . . . . . A 106 CYS HB3 . 19108 1 973 . 1 1 106 106 CYS CA C 13 67.102 . . . . . . A 106 CYS CA . 19108 1 974 . 1 1 106 106 CYS CB C 13 28.718 . . . . . . A 106 CYS CB . 19108 1 975 . 1 1 106 106 CYS N N 15 120.359 . . . . . . A 106 CYS N . 19108 1 976 . 1 1 107 107 ALA H H 1 8.719 . . . . . . A 107 ALA H . 19108 1 977 . 1 1 107 107 ALA HA H 1 3.865 . . . . . . A 107 ALA HA . 19108 1 978 . 1 1 107 107 ALA HB1 H 1 1.664 . . . . . . A 107 ALA HB1 . 19108 1 979 . 1 1 107 107 ALA HB2 H 1 1.664 . . . . . . A 107 ALA HB2 . 19108 1 980 . 1 1 107 107 ALA HB3 H 1 1.664 . . . . . . A 107 ALA HB3 . 19108 1 981 . 1 1 107 107 ALA CA C 13 56.934 . . . . . . A 107 ALA CA . 19108 1 982 . 1 1 107 107 ALA CB C 13 18.443 . . . . . . A 107 ALA CB . 19108 1 983 . 1 1 107 107 ALA N N 15 119.725 . . . . . . A 107 ALA N . 19108 1 984 . 1 1 108 108 GLY H H 1 8.555 . . . . . . A 108 GLY H . 19108 1 985 . 1 1 108 108 GLY HA2 H 1 3.744 . . . . . . A 108 GLY HA2 . 19108 1 986 . 1 1 108 108 GLY HA3 H 1 3.868 . . . . . . A 108 GLY HA3 . 19108 1 987 . 1 1 108 108 GLY CA C 13 46.894 . . . . . . A 108 GLY CA . 19108 1 988 . 1 1 108 108 GLY N N 15 103.829 . . . . . . A 108 GLY N . 19108 1 989 . 1 1 109 109 GLU H H 1 8.023 . . . . . . A 109 GLU H . 19108 1 990 . 1 1 109 109 GLU HA H 1 4.266 . . . . . . A 109 GLU HA . 19108 1 991 . 1 1 109 109 GLU HB2 H 1 1.982 . . . . . . A 109 GLU HB2 . 19108 1 992 . 1 1 109 109 GLU HB3 H 1 2.311 . . . . . . A 109 GLU HB3 . 19108 1 993 . 1 1 109 109 GLU HG3 H 1 2.347 . . . . . . A 109 GLU HG3 . 19108 1 994 . 1 1 109 109 GLU CA C 13 59.292 . . . . . . A 109 GLU CA . 19108 1 995 . 1 1 109 109 GLU CB C 13 30.382 . . . . . . A 109 GLU CB . 19108 1 996 . 1 1 109 109 GLU N N 15 123.162 . . . . . . A 109 GLU N . 19108 1 997 . 1 1 110 110 VAL H H 1 8.942 . . . . . . A 110 VAL H . 19108 1 998 . 1 1 110 110 VAL HA H 1 3.699 . . . . . . A 110 VAL HA . 19108 1 999 . 1 1 110 110 VAL HB H 1 2.169 . . . . . . A 110 VAL HB . 19108 1 1000 . 1 1 110 110 VAL HG11 H 1 1.150 . . . . . . A 110 VAL HG11 . 19108 1 1001 . 1 1 110 110 VAL HG12 H 1 1.150 . . . . . . A 110 VAL HG12 . 19108 1 1002 . 1 1 110 110 VAL HG13 H 1 1.150 . . . . . . A 110 VAL HG13 . 19108 1 1003 . 1 1 110 110 VAL HG21 H 1 0.688 . . . . . . A 110 VAL HG21 . 19108 1 1004 . 1 1 110 110 VAL HG22 H 1 0.688 . . . . . . A 110 VAL HG22 . 19108 1 1005 . 1 1 110 110 VAL HG23 H 1 0.688 . . . . . . A 110 VAL HG23 . 19108 1 1006 . 1 1 110 110 VAL CA C 13 67.043 . . . . . . A 110 VAL CA . 19108 1 1007 . 1 1 110 110 VAL CB C 13 31.006 . . . . . . A 110 VAL CB . 19108 1 1008 . 1 1 110 110 VAL CG1 C 13 23.657 . . . . . . A 110 VAL CG1 . 19108 1 1009 . 1 1 110 110 VAL CG2 C 13 22.565 . . . . . . A 110 VAL CG2 . 19108 1 1010 . 1 1 110 110 VAL N N 15 121.866 . . . . . . A 110 VAL N . 19108 1 1011 . 1 1 111 111 ARG H H 1 8.653 . . . . . . A 111 ARG H . 19108 1 1012 . 1 1 111 111 ARG HA H 1 3.786 . . . . . . A 111 ARG HA . 19108 1 1013 . 1 1 111 111 ARG HB3 H 1 1.708 . . . . . . A 111 ARG HB3 . 19108 1 1014 . 1 1 111 111 ARG CA C 13 60.081 . . . . . . A 111 ARG CA . 19108 1 1015 . 1 1 111 111 ARG CB C 13 29.175 . . . . . . A 111 ARG CB . 19108 1 1016 . 1 1 111 111 ARG N N 15 120.587 . . . . . . A 111 ARG N . 19108 1 1017 . 1 1 112 112 ALA H H 1 7.875 . . . . . . A 112 ALA H . 19108 1 1018 . 1 1 112 112 ALA HA H 1 4.134 . . . . . . A 112 ALA HA . 19108 1 1019 . 1 1 112 112 ALA HB1 H 1 1.541 . . . . . . A 112 ALA HB1 . 19108 1 1020 . 1 1 112 112 ALA HB2 H 1 1.541 . . . . . . A 112 ALA HB2 . 19108 1 1021 . 1 1 112 112 ALA HB3 H 1 1.541 . . . . . . A 112 ALA HB3 . 19108 1 1022 . 1 1 112 112 ALA CA C 13 55.418 . . . . . . A 112 ALA CA . 19108 1 1023 . 1 1 112 112 ALA CB C 13 17.991 . . . . . . A 112 ALA CB . 19108 1 1024 . 1 1 112 112 ALA N N 15 120.687 . . . . . . A 112 ALA N . 19108 1 1025 . 1 1 113 113 PHE H H 1 8.139 . . . . . . A 113 PHE H . 19108 1 1026 . 1 1 113 113 PHE HA H 1 4.337 . . . . . . A 113 PHE HA . 19108 1 1027 . 1 1 113 113 PHE HB2 H 1 3.446 . . . . . . A 113 PHE HB2 . 19108 1 1028 . 1 1 113 113 PHE HB3 H 1 3.706 . . . . . . A 113 PHE HB3 . 19108 1 1029 . 1 1 113 113 PHE HD1 H 1 7.235 . . . . . . A 113 PHE HD1 . 19108 1 1030 . 1 1 113 113 PHE HE1 H 1 7.141 . . . . . . A 113 PHE HE1 . 19108 1 1031 . 1 1 113 113 PHE HZ H 1 6.980 . . . . . . A 113 PHE HZ . 19108 1 1032 . 1 1 113 113 PHE CA C 13 61.376 . . . . . . A 113 PHE CA . 19108 1 1033 . 1 1 113 113 PHE CB C 13 39.387 . . . . . . A 113 PHE CB . 19108 1 1034 . 1 1 113 113 PHE N N 15 118.950 . . . . . . A 113 PHE N . 19108 1 1035 . 1 1 114 114 LEU H H 1 8.639 . . . . . . A 114 LEU H . 19108 1 1036 . 1 1 114 114 LEU HA H 1 3.800 . . . . . . A 114 LEU HA . 19108 1 1037 . 1 1 114 114 LEU HB2 H 1 1.547 . . . . . . A 114 LEU HB2 . 19108 1 1038 . 1 1 114 114 LEU HB3 H 1 1.583 . . . . . . A 114 LEU HB3 . 19108 1 1039 . 1 1 114 114 LEU HG H 1 1.739 . . . . . . A 114 LEU HG . 19108 1 1040 . 1 1 114 114 LEU HD11 H 1 0.745 . . . . . . A 114 LEU HD11 . 19108 1 1041 . 1 1 114 114 LEU HD12 H 1 0.745 . . . . . . A 114 LEU HD12 . 19108 1 1042 . 1 1 114 114 LEU HD13 H 1 0.745 . . . . . . A 114 LEU HD13 . 19108 1 1043 . 1 1 114 114 LEU HD21 H 1 0.802 . . . . . . A 114 LEU HD21 . 19108 1 1044 . 1 1 114 114 LEU HD22 H 1 0.802 . . . . . . A 114 LEU HD22 . 19108 1 1045 . 1 1 114 114 LEU HD23 H 1 0.802 . . . . . . A 114 LEU HD23 . 19108 1 1046 . 1 1 114 114 LEU CA C 13 57.133 . . . . . . A 114 LEU CA . 19108 1 1047 . 1 1 114 114 LEU CB C 13 40.909 . . . . . . A 114 LEU CB . 19108 1 1048 . 1 1 114 114 LEU CD1 C 13 25.558 . . . . . . A 114 LEU CD1 . 19108 1 1049 . 1 1 114 114 LEU CD2 C 13 21.182 . . . . . . A 114 LEU CD2 . 19108 1 1050 . 1 1 114 114 LEU N N 15 120.595 . . . . . . A 114 LEU N . 19108 1 1051 . 1 1 115 115 GLN H H 1 8.167 . . . . . . A 115 GLN H . 19108 1 1052 . 1 1 115 115 GLN HA H 1 4.023 . . . . . . A 115 GLN HA . 19108 1 1053 . 1 1 115 115 GLN HB2 H 1 2.083 . . . . . . A 115 GLN HB2 . 19108 1 1054 . 1 1 115 115 GLN HB3 H 1 2.295 . . . . . . A 115 GLN HB3 . 19108 1 1055 . 1 1 115 115 GLN HG2 H 1 2.405 . . . . . . A 115 GLN HG2 . 19108 1 1056 . 1 1 115 115 GLN HG3 H 1 2.604 . . . . . . A 115 GLN HG3 . 19108 1 1057 . 1 1 115 115 GLN HE21 H 1 7.526 . . . . . . A 115 GLN HE21 . 19108 1 1058 . 1 1 115 115 GLN HE22 H 1 6.753 . . . . . . A 115 GLN HE22 . 19108 1 1059 . 1 1 115 115 GLN CA C 13 58.386 . . . . . . A 115 GLN CA . 19108 1 1060 . 1 1 115 115 GLN CB C 13 28.538 . . . . . . A 115 GLN CB . 19108 1 1061 . 1 1 115 115 GLN CG C 13 34.441 . . . . . . A 115 GLN CG . 19108 1 1062 . 1 1 115 115 GLN N N 15 117.666 . . . . . . A 115 GLN N . 19108 1 1063 . 1 1 115 115 GLN NE2 N 15 110.955 . . . . . . A 115 GLN NE2 . 19108 1 1064 . 1 1 116 116 GLU H H 1 7.448 . . . . . . A 116 GLU H . 19108 1 1065 . 1 1 116 116 GLU HA H 1 4.322 . . . . . . A 116 GLU HA . 19108 1 1066 . 1 1 116 116 GLU HB2 H 1 1.952 . . . . . . A 116 GLU HB2 . 19108 1 1067 . 1 1 116 116 GLU HB3 H 1 2.049 . . . . . . A 116 GLU HB3 . 19108 1 1068 . 1 1 116 116 GLU HG2 H 1 2.304 . . . . . . A 116 GLU HG2 . 19108 1 1069 . 1 1 116 116 GLU HG3 H 1 2.407 . . . . . . A 116 GLU HG3 . 19108 1 1070 . 1 1 116 116 GLU CA C 13 57.062 . . . . . . A 116 GLU CA . 19108 1 1071 . 1 1 116 116 GLU CB C 13 30.715 . . . . . . A 116 GLU CB . 19108 1 1072 . 1 1 116 116 GLU CG C 13 36.292 . . . . . . A 116 GLU CG . 19108 1 1073 . 1 1 116 116 GLU N N 15 115.380 . . . . . . A 116 GLU N . 19108 1 1074 . 1 1 117 117 ASN H H 1 7.632 . . . . . . A 117 ASN H . 19108 1 1075 . 1 1 117 117 ASN HA H 1 5.065 . . . . . . A 117 ASN HA . 19108 1 1076 . 1 1 117 117 ASN HB2 H 1 1.955 . . . . . . A 117 ASN HB2 . 19108 1 1077 . 1 1 117 117 ASN HB3 H 1 2.041 . . . . . . A 117 ASN HB3 . 19108 1 1078 . 1 1 117 117 ASN CA C 13 52.185 . . . . . . A 117 ASN CA . 19108 1 1079 . 1 1 117 117 ASN CB C 13 38.246 . . . . . . A 117 ASN CB . 19108 1 1080 . 1 1 117 117 ASN N N 15 119.831 . . . . . . A 117 ASN N . 19108 1 1081 . 1 1 118 118 THR H H 1 8.054 . . . . . . A 118 THR H . 19108 1 1082 . 1 1 118 118 THR HA H 1 4.317 . . . . . . A 118 THR HA . 19108 1 1083 . 1 1 118 118 THR HB H 1 4.549 . . . . . . A 118 THR HB . 19108 1 1084 . 1 1 118 118 THR HG21 H 1 1.329 . . . . . . A 118 THR HG21 . 19108 1 1085 . 1 1 118 118 THR HG22 H 1 1.329 . . . . . . A 118 THR HG22 . 19108 1 1086 . 1 1 118 118 THR HG23 H 1 1.329 . . . . . . A 118 THR HG23 . 19108 1 1087 . 1 1 118 118 THR CA C 13 64.081 . . . . . . A 118 THR CA . 19108 1 1088 . 1 1 118 118 THR CB C 13 68.767 . . . . . . A 118 THR CB . 19108 1 1089 . 1 1 118 118 THR CG2 C 13 22.096 . . . . . . A 118 THR CG2 . 19108 1 1090 . 1 1 118 118 THR N N 15 111.041 . . . . . . A 118 THR N . 19108 1 1091 . 1 1 119 119 HIS H H 1 9.248 . . . . . . A 119 HIS H . 19108 1 1092 . 1 1 119 119 HIS HA H 1 4.289 . . . . . . A 119 HIS HA . 19108 1 1093 . 1 1 119 119 HIS HD2 H 1 8.184 . . . . . . A 119 HIS HD2 . 19108 1 1094 . 1 1 119 119 HIS HE1 H 1 7.626 . . . . . . A 119 HIS HE1 . 19108 1 1095 . 1 1 119 119 HIS CA C 13 56.601 . . . . . . A 119 HIS CA . 19108 1 1096 . 1 1 119 119 HIS CB C 13 30.320 . . . . . . A 119 HIS CB . 19108 1 1097 . 1 1 119 119 HIS N N 15 120.403 . . . . . . A 119 HIS N . 19108 1 1098 . 1 1 120 120 VAL H H 1 7.379 . . . . . . A 120 VAL H . 19108 1 1099 . 1 1 120 120 VAL HA H 1 4.526 . . . . . . A 120 VAL HA . 19108 1 1100 . 1 1 120 120 VAL HB H 1 1.817 . . . . . . A 120 VAL HB . 19108 1 1101 . 1 1 120 120 VAL HG11 H 1 0.733 . . . . . . A 120 VAL HG11 . 19108 1 1102 . 1 1 120 120 VAL HG12 H 1 0.733 . . . . . . A 120 VAL HG12 . 19108 1 1103 . 1 1 120 120 VAL HG13 H 1 0.733 . . . . . . A 120 VAL HG13 . 19108 1 1104 . 1 1 120 120 VAL HG21 H 1 0.227 . . . . . . A 120 VAL HG21 . 19108 1 1105 . 1 1 120 120 VAL HG22 H 1 0.227 . . . . . . A 120 VAL HG22 . 19108 1 1106 . 1 1 120 120 VAL HG23 H 1 0.227 . . . . . . A 120 VAL HG23 . 19108 1 1107 . 1 1 120 120 VAL CA C 13 61.890 . . . . . . A 120 VAL CA . 19108 1 1108 . 1 1 120 120 VAL CB C 13 32.995 . . . . . . A 120 VAL CB . 19108 1 1109 . 1 1 120 120 VAL CG1 C 13 21.684 . . . . . . A 120 VAL CG1 . 19108 1 1110 . 1 1 120 120 VAL CG2 C 13 20.957 . . . . . . A 120 VAL CG2 . 19108 1 1111 . 1 1 120 120 VAL N N 15 120.001 . . . . . . A 120 VAL N . 19108 1 1112 . 1 1 121 121 ARG H H 1 8.775 . . . . . . A 121 ARG H . 19108 1 1113 . 1 1 121 121 ARG HA H 1 4.810 . . . . . . A 121 ARG HA . 19108 1 1114 . 1 1 121 121 ARG HB2 H 1 1.626 . . . . . . A 121 ARG HB2 . 19108 1 1115 . 1 1 121 121 ARG HB3 H 1 1.828 . . . . . . A 121 ARG HB3 . 19108 1 1116 . 1 1 121 121 ARG HD3 H 1 3.094 . . . . . . A 121 ARG HD3 . 19108 1 1117 . 1 1 121 121 ARG CA C 13 53.067 . . . . . . A 121 ARG CA . 19108 1 1118 . 1 1 121 121 ARG CB C 13 30.580 . . . . . . A 121 ARG CB . 19108 1 1119 . 1 1 121 121 ARG N N 15 125.312 . . . . . . A 121 ARG N . 19108 1 1120 . 1 1 122 122 LEU H H 1 9.345 . . . . . . A 122 LEU H . 19108 1 1121 . 1 1 122 122 LEU HA H 1 5.160 . . . . . . A 122 LEU HA . 19108 1 1122 . 1 1 122 122 LEU HB2 H 1 0.761 . . . . . . A 122 LEU HB2 . 19108 1 1123 . 1 1 122 122 LEU HB3 H 1 1.533 . . . . . . A 122 LEU HB3 . 19108 1 1124 . 1 1 122 122 LEU HG H 1 0.678 . . . . . . A 122 LEU HG . 19108 1 1125 . 1 1 122 122 LEU HD11 H 1 -0.095 . . . . . . A 122 LEU HD11 . 19108 1 1126 . 1 1 122 122 LEU HD12 H 1 -0.095 . . . . . . A 122 LEU HD12 . 19108 1 1127 . 1 1 122 122 LEU HD13 H 1 -0.095 . . . . . . A 122 LEU HD13 . 19108 1 1128 . 1 1 122 122 LEU HD21 H 1 -0.479 . . . . . . A 122 LEU HD21 . 19108 1 1129 . 1 1 122 122 LEU HD22 H 1 -0.479 . . . . . . A 122 LEU HD22 . 19108 1 1130 . 1 1 122 122 LEU HD23 H 1 -0.479 . . . . . . A 122 LEU HD23 . 19108 1 1131 . 1 1 122 122 LEU CA C 13 53.301 . . . . . . A 122 LEU CA . 19108 1 1132 . 1 1 122 122 LEU CB C 13 46.672 . . . . . . A 122 LEU CB . 19108 1 1133 . 1 1 122 122 LEU CG C 13 27.452 . . . . . . A 122 LEU CG . 19108 1 1134 . 1 1 122 122 LEU CD1 C 13 26.583 . . . . . . A 122 LEU CD1 . 19108 1 1135 . 1 1 122 122 LEU CD2 C 13 21.360 . . . . . . A 122 LEU CD2 . 19108 1 1136 . 1 1 122 122 LEU N N 15 125.483 . . . . . . A 122 LEU N . 19108 1 1137 . 1 1 123 123 ARG H H 1 9.053 . . . . . . A 123 ARG H . 19108 1 1138 . 1 1 123 123 ARG HA H 1 4.736 . . . . . . A 123 ARG HA . 19108 1 1139 . 1 1 123 123 ARG HB2 H 1 1.647 . . . . . . A 123 ARG HB2 . 19108 1 1140 . 1 1 123 123 ARG CA C 13 54.167 . . . . . . A 123 ARG CA . 19108 1 1141 . 1 1 123 123 ARG CB C 13 32.812 . . . . . . A 123 ARG CB . 19108 1 1142 . 1 1 123 123 ARG N N 15 127.748 . . . . . . A 123 ARG N . 19108 1 1143 . 1 1 124 124 ILE H H 1 9.019 . . . . . . A 124 ILE H . 19108 1 1144 . 1 1 124 124 ILE HA H 1 4.442 . . . . . . A 124 ILE HA . 19108 1 1145 . 1 1 124 124 ILE HB H 1 1.733 . . . . . . A 124 ILE HB . 19108 1 1146 . 1 1 124 124 ILE HG13 H 1 1.230 . . . . . . A 124 ILE HG13 . 19108 1 1147 . 1 1 124 124 ILE HG21 H 1 0.928 . . . . . . A 124 ILE HG21 . 19108 1 1148 . 1 1 124 124 ILE HG22 H 1 0.928 . . . . . . A 124 ILE HG22 . 19108 1 1149 . 1 1 124 124 ILE HG23 H 1 0.928 . . . . . . A 124 ILE HG23 . 19108 1 1150 . 1 1 124 124 ILE HD11 H 1 0.649 . . . . . . A 124 ILE HD11 . 19108 1 1151 . 1 1 124 124 ILE HD12 H 1 0.649 . . . . . . A 124 ILE HD12 . 19108 1 1152 . 1 1 124 124 ILE HD13 H 1 0.649 . . . . . . A 124 ILE HD13 . 19108 1 1153 . 1 1 124 124 ILE CA C 13 60.759 . . . . . . A 124 ILE CA . 19108 1 1154 . 1 1 124 124 ILE CB C 13 41.893 . . . . . . A 124 ILE CB . 19108 1 1155 . 1 1 124 124 ILE CG1 C 13 26.634 . . . . . . A 124 ILE CG1 . 19108 1 1156 . 1 1 124 124 ILE CG2 C 13 17.107 . . . . . . A 124 ILE CG2 . 19108 1 1157 . 1 1 124 124 ILE CD1 C 13 14.960 . . . . . . A 124 ILE CD1 . 19108 1 1158 . 1 1 124 124 ILE N N 15 123.665 . . . . . . A 124 ILE N . 19108 1 1159 . 1 1 125 125 PHE H H 1 9.359 . . . . . . A 125 PHE H . 19108 1 1160 . 1 1 125 125 PHE HA H 1 5.165 . . . . . . A 125 PHE HA . 19108 1 1161 . 1 1 125 125 PHE HB2 H 1 3.041 . . . . . . A 125 PHE HB2 . 19108 1 1162 . 1 1 125 125 PHE HB3 H 1 3.258 . . . . . . A 125 PHE HB3 . 19108 1 1163 . 1 1 125 125 PHE HD2 H 1 6.618 . . . . . . A 125 PHE HD2 . 19108 1 1164 . 1 1 125 125 PHE HE2 H 1 7.055 . . . . . . A 125 PHE HE2 . 19108 1 1165 . 1 1 125 125 PHE HZ H 1 7.196 . . . . . . A 125 PHE HZ . 19108 1 1166 . 1 1 125 125 PHE CA C 13 55.914 . . . . . . A 125 PHE CA . 19108 1 1167 . 1 1 125 125 PHE CB C 13 40.819 . . . . . . A 125 PHE CB . 19108 1 1168 . 1 1 125 125 PHE CD2 C 13 132.156 . . . . . . A 125 PHE CD2 . 19108 1 1169 . 1 1 125 125 PHE CE2 C 13 131.000 . . . . . . A 125 PHE CE2 . 19108 1 1170 . 1 1 125 125 PHE N N 15 126.320 . . . . . . A 125 PHE N . 19108 1 1171 . 1 1 126 126 ALA H H 1 9.091 . . . . . . A 126 ALA H . 19108 1 1172 . 1 1 126 126 ALA HA H 1 5.816 . . . . . . A 126 ALA HA . 19108 1 1173 . 1 1 126 126 ALA HB1 H 1 1.223 . . . . . . A 126 ALA HB1 . 19108 1 1174 . 1 1 126 126 ALA HB2 H 1 1.223 . . . . . . A 126 ALA HB2 . 19108 1 1175 . 1 1 126 126 ALA HB3 H 1 1.223 . . . . . . A 126 ALA HB3 . 19108 1 1176 . 1 1 126 126 ALA CA C 13 48.870 . . . . . . A 126 ALA CA . 19108 1 1177 . 1 1 126 126 ALA CB C 13 20.334 . . . . . . A 126 ALA CB . 19108 1 1178 . 1 1 126 126 ALA N N 15 124.526 . . . . . . A 126 ALA N . 19108 1 1179 . 1 1 127 127 ALA H H 1 9.049 . . . . . . A 127 ALA H . 19108 1 1180 . 1 1 127 127 ALA HA H 1 4.751 . . . . . . A 127 ALA HA . 19108 1 1181 . 1 1 127 127 ALA HB1 H 1 1.916 . . . . . . A 127 ALA HB1 . 19108 1 1182 . 1 1 127 127 ALA HB2 H 1 1.916 . . . . . . A 127 ALA HB2 . 19108 1 1183 . 1 1 127 127 ALA HB3 H 1 1.916 . . . . . . A 127 ALA HB3 . 19108 1 1184 . 1 1 127 127 ALA CA C 13 55.468 . . . . . . A 127 ALA CA . 19108 1 1185 . 1 1 127 127 ALA CB C 13 19.605 . . . . . . A 127 ALA CB . 19108 1 1186 . 1 1 127 127 ALA N N 15 126.272 . . . . . . A 127 ALA N . 19108 1 1187 . 1 1 128 128 ARG H H 1 6.741 . . . . . . A 128 ARG H . 19108 1 1188 . 1 1 128 128 ARG CA C 13 54.414 . . . . . . A 128 ARG CA . 19108 1 1189 . 1 1 128 128 ARG CB C 13 37.206 . . . . . . A 128 ARG CB . 19108 1 1190 . 1 1 128 128 ARG N N 15 108.570 . . . . . . A 128 ARG N . 19108 1 1191 . 1 1 129 129 ILE H H 1 8.340 . . . . . . A 129 ILE H . 19108 1 1192 . 1 1 129 129 ILE HA H 1 4.291 . . . . . . A 129 ILE HA . 19108 1 1193 . 1 1 129 129 ILE HB H 1 1.776 . . . . . . A 129 ILE HB . 19108 1 1194 . 1 1 129 129 ILE HG12 H 1 1.799 . . . . . . A 129 ILE HG12 . 19108 1 1195 . 1 1 129 129 ILE HG13 H 1 2.121 . . . . . . A 129 ILE HG13 . 19108 1 1196 . 1 1 129 129 ILE HG21 H 1 0.759 . . . . . . A 129 ILE HG21 . 19108 1 1197 . 1 1 129 129 ILE HG22 H 1 0.759 . . . . . . A 129 ILE HG22 . 19108 1 1198 . 1 1 129 129 ILE HG23 H 1 0.759 . . . . . . A 129 ILE HG23 . 19108 1 1199 . 1 1 129 129 ILE HD11 H 1 1.019 . . . . . . A 129 ILE HD11 . 19108 1 1200 . 1 1 129 129 ILE HD12 H 1 1.019 . . . . . . A 129 ILE HD12 . 19108 1 1201 . 1 1 129 129 ILE HD13 H 1 1.019 . . . . . . A 129 ILE HD13 . 19108 1 1202 . 1 1 129 129 ILE CA C 13 60.867 . . . . . . A 129 ILE CA . 19108 1 1203 . 1 1 129 129 ILE CB C 13 38.829 . . . . . . A 129 ILE CB . 19108 1 1204 . 1 1 129 129 ILE CG2 C 13 18.768 . . . . . . A 129 ILE CG2 . 19108 1 1205 . 1 1 129 129 ILE CD1 C 13 13.232 . . . . . . A 129 ILE CD1 . 19108 1 1206 . 1 1 129 129 ILE N N 15 121.285 . . . . . . A 129 ILE N . 19108 1 1207 . 1 1 130 130 TYR H H 1 8.870 . . . . . . A 130 TYR H . 19108 1 1208 . 1 1 130 130 TYR HA H 1 5.335 . . . . . . A 130 TYR HA . 19108 1 1209 . 1 1 130 130 TYR HB3 H 1 3.383 . . . . . . A 130 TYR HB3 . 19108 1 1210 . 1 1 130 130 TYR HD1 H 1 7.435 . . . . . . A 130 TYR HD1 . 19108 1 1211 . 1 1 130 130 TYR CA C 13 56.926 . . . . . . A 130 TYR CA . 19108 1 1212 . 1 1 130 130 TYR CB C 13 38.163 . . . . . . A 130 TYR CB . 19108 1 1213 . 1 1 130 130 TYR N N 15 130.143 . . . . . . A 130 TYR N . 19108 1 1214 . 1 1 131 131 ASP H H 1 8.123 . . . . . . A 131 ASP H . 19108 1 1215 . 1 1 131 131 ASP HA H 1 3.667 . . . . . . A 131 ASP HA . 19108 1 1216 . 1 1 131 131 ASP HB3 H 1 2.325 . . . . . . A 131 ASP HB3 . 19108 1 1217 . 1 1 131 131 ASP CA C 13 54.713 . . . . . . A 131 ASP CA . 19108 1 1218 . 1 1 131 131 ASP CB C 13 38.901 . . . . . . A 131 ASP CB . 19108 1 1219 . 1 1 131 131 ASP N N 15 123.662 . . . . . . A 131 ASP N . 19108 1 1220 . 1 1 132 132 TYR H H 1 6.448 . . . . . . A 132 TYR H . 19108 1 1221 . 1 1 132 132 TYR HA H 1 3.915 . . . . . . A 132 TYR HA . 19108 1 1222 . 1 1 132 132 TYR HB3 H 1 3.263 . . . . . . A 132 TYR HB3 . 19108 1 1223 . 1 1 132 132 TYR HD2 H 1 6.683 . . . . . . A 132 TYR HD2 . 19108 1 1224 . 1 1 132 132 TYR CA C 13 59.468 . . . . . . A 132 TYR CA . 19108 1 1225 . 1 1 132 132 TYR CB C 13 39.037 . . . . . . A 132 TYR CB . 19108 1 1226 . 1 1 132 132 TYR N N 15 116.852 . . . . . . A 132 TYR N . 19108 1 1227 . 1 1 133 133 ASP H H 1 7.005 . . . . . . A 133 ASP H . 19108 1 1228 . 1 1 133 133 ASP HB3 H 1 2.852 . . . . . . A 133 ASP HB3 . 19108 1 1229 . 1 1 133 133 ASP CA C 13 50.165 . . . . . . A 133 ASP CA . 19108 1 1230 . 1 1 133 133 ASP CB C 13 42.782 . . . . . . A 133 ASP CB . 19108 1 1231 . 1 1 133 133 ASP N N 15 116.930 . . . . . . A 133 ASP N . 19108 1 1232 . 1 1 134 134 PRO HA H 1 4.103 . . . . . . A 134 PRO HA . 19108 1 1233 . 1 1 134 134 PRO HD3 H 1 3.224 . . . . . . A 134 PRO HD3 . 19108 1 1234 . 1 1 134 134 PRO CA C 13 63.701 . . . . . . A 134 PRO CA . 19108 1 1235 . 1 1 134 134 PRO CB C 13 32.090 . . . . . . A 134 PRO CB . 19108 1 1236 . 1 1 135 135 LEU H H 1 8.456 . . . . . . A 135 LEU H . 19108 1 1237 . 1 1 135 135 LEU HA H 1 4.698 . . . . . . A 135 LEU HA . 19108 1 1238 . 1 1 135 135 LEU HB3 H 1 1.891 . . . . . . A 135 LEU HB3 . 19108 1 1239 . 1 1 135 135 LEU HG H 1 1.346 . . . . . . A 135 LEU HG . 19108 1 1240 . 1 1 135 135 LEU HD11 H 1 0.790 . . . . . . A 135 LEU HD11 . 19108 1 1241 . 1 1 135 135 LEU HD12 H 1 0.790 . . . . . . A 135 LEU HD12 . 19108 1 1242 . 1 1 135 135 LEU HD13 H 1 0.790 . . . . . . A 135 LEU HD13 . 19108 1 1243 . 1 1 135 135 LEU HD21 H 1 0.549 . . . . . . A 135 LEU HD21 . 19108 1 1244 . 1 1 135 135 LEU HD22 H 1 0.549 . . . . . . A 135 LEU HD22 . 19108 1 1245 . 1 1 135 135 LEU HD23 H 1 0.549 . . . . . . A 135 LEU HD23 . 19108 1 1246 . 1 1 135 135 LEU CA C 13 54.381 . . . . . . A 135 LEU CA . 19108 1 1247 . 1 1 135 135 LEU CB C 13 39.744 . . . . . . A 135 LEU CB . 19108 1 1248 . 1 1 135 135 LEU CG C 13 27.896 . . . . . . A 135 LEU CG . 19108 1 1249 . 1 1 135 135 LEU CD1 C 13 25.833 . . . . . . A 135 LEU CD1 . 19108 1 1250 . 1 1 135 135 LEU CD2 C 13 23.050 . . . . . . A 135 LEU CD2 . 19108 1 1251 . 1 1 135 135 LEU N N 15 120.252 . . . . . . A 135 LEU N . 19108 1 1252 . 1 1 136 136 TYR H H 1 8.028 . . . . . . A 136 TYR H . 19108 1 1253 . 1 1 136 136 TYR HA H 1 4.061 . . . . . . A 136 TYR HA . 19108 1 1254 . 1 1 136 136 TYR HB3 H 1 2.612 . . . . . . A 136 TYR HB3 . 19108 1 1255 . 1 1 136 136 TYR HE2 H 1 6.761 . . . . . . A 136 TYR HE2 . 19108 1 1256 . 1 1 136 136 TYR CA C 13 61.058 . . . . . . A 136 TYR CA . 19108 1 1257 . 1 1 136 136 TYR CB C 13 37.580 . . . . . . A 136 TYR CB . 19108 1 1258 . 1 1 136 136 TYR N N 15 117.432 . . . . . . A 136 TYR N . 19108 1 1259 . 1 1 137 137 LYS H H 1 7.503 . . . . . . A 137 LYS H . 19108 1 1260 . 1 1 137 137 LYS HB3 H 1 1.389 . . . . . . A 137 LYS HB3 . 19108 1 1261 . 1 1 137 137 LYS CA C 13 60.299 . . . . . . A 137 LYS CA . 19108 1 1262 . 1 1 137 137 LYS CB C 13 30.798 . . . . . . A 137 LYS CB . 19108 1 1263 . 1 1 137 137 LYS N N 15 122.000 . . . . . . A 137 LYS N . 19108 1 1264 . 1 1 138 138 GLU H H 1 8.752 . . . . . . A 138 GLU H . 19108 1 1265 . 1 1 138 138 GLU CA C 13 59.841 . . . . . . A 138 GLU CA . 19108 1 1266 . 1 1 138 138 GLU CB C 13 27.469 . . . . . . A 138 GLU CB . 19108 1 1267 . 1 1 138 138 GLU N N 15 121.833 . . . . . . A 138 GLU N . 19108 1 1268 . 1 1 139 139 ALA H H 1 7.682 . . . . . . A 139 ALA H . 19108 1 1269 . 1 1 139 139 ALA HA H 1 3.846 . . . . . . A 139 ALA HA . 19108 1 1270 . 1 1 139 139 ALA HB1 H 1 1.711 . . . . . . A 139 ALA HB1 . 19108 1 1271 . 1 1 139 139 ALA HB2 H 1 1.711 . . . . . . A 139 ALA HB2 . 19108 1 1272 . 1 1 139 139 ALA HB3 H 1 1.711 . . . . . . A 139 ALA HB3 . 19108 1 1273 . 1 1 139 139 ALA CA C 13 55.140 . . . . . . A 139 ALA CA . 19108 1 1274 . 1 1 139 139 ALA CB C 13 20.255 . . . . . . A 139 ALA CB . 19108 1 1275 . 1 1 139 139 ALA N N 15 119.592 . . . . . . A 139 ALA N . 19108 1 1276 . 1 1 140 140 LEU H H 1 7.175 . . . . . . A 140 LEU H . 19108 1 1277 . 1 1 140 140 LEU HB2 H 1 1.320 . . . . . . A 140 LEU HB2 . 19108 1 1278 . 1 1 140 140 LEU HG H 1 2.320 . . . . . . A 140 LEU HG . 19108 1 1279 . 1 1 140 140 LEU HD11 H 1 1.121 . . . . . . A 140 LEU HD11 . 19108 1 1280 . 1 1 140 140 LEU HD12 H 1 1.121 . . . . . . A 140 LEU HD12 . 19108 1 1281 . 1 1 140 140 LEU HD13 H 1 1.121 . . . . . . A 140 LEU HD13 . 19108 1 1282 . 1 1 140 140 LEU HD21 H 1 1.002 . . . . . . A 140 LEU HD21 . 19108 1 1283 . 1 1 140 140 LEU HD22 H 1 1.002 . . . . . . A 140 LEU HD22 . 19108 1 1284 . 1 1 140 140 LEU HD23 H 1 1.002 . . . . . . A 140 LEU HD23 . 19108 1 1285 . 1 1 140 140 LEU CA C 13 58.193 . . . . . . A 140 LEU CA . 19108 1 1286 . 1 1 140 140 LEU CB C 13 41.095 . . . . . . A 140 LEU CB . 19108 1 1287 . 1 1 140 140 LEU CG C 13 26.785 . . . . . . A 140 LEU CG . 19108 1 1288 . 1 1 140 140 LEU CD1 C 13 26.305 . . . . . . A 140 LEU CD1 . 19108 1 1289 . 1 1 140 140 LEU CD2 C 13 22.987 . . . . . . A 140 LEU CD2 . 19108 1 1290 . 1 1 140 140 LEU N N 15 116.268 . . . . . . A 140 LEU N . 19108 1 1291 . 1 1 141 141 GLN H H 1 8.322 . . . . . . A 141 GLN H . 19108 1 1292 . 1 1 141 141 GLN HA H 1 3.719 . . . . . . A 141 GLN HA . 19108 1 1293 . 1 1 141 141 GLN HB3 H 1 2.077 . . . . . . A 141 GLN HB3 . 19108 1 1294 . 1 1 141 141 GLN HG2 H 1 2.259 . . . . . . A 141 GLN HG2 . 19108 1 1295 . 1 1 141 141 GLN HG3 H 1 2.396 . . . . . . A 141 GLN HG3 . 19108 1 1296 . 1 1 141 141 GLN HE21 H 1 7.389 . . . . . . A 141 GLN HE21 . 19108 1 1297 . 1 1 141 141 GLN HE22 H 1 6.752 . . . . . . A 141 GLN HE22 . 19108 1 1298 . 1 1 141 141 GLN CA C 13 59.051 . . . . . . A 141 GLN CA . 19108 1 1299 . 1 1 141 141 GLN CB C 13 27.594 . . . . . . A 141 GLN CB . 19108 1 1300 . 1 1 141 141 GLN N N 15 117.550 . . . . . . A 141 GLN N . 19108 1 1301 . 1 1 141 141 GLN NE2 N 15 109.124 . . . . . . A 141 GLN NE2 . 19108 1 1302 . 1 1 142 142 MET H H 1 8.241 . . . . . . A 142 MET H . 19108 1 1303 . 1 1 142 142 MET HA H 1 4.135 . . . . . . A 142 MET HA . 19108 1 1304 . 1 1 142 142 MET HB3 H 1 2.123 . . . . . . A 142 MET HB3 . 19108 1 1305 . 1 1 142 142 MET HG3 H 1 2.439 . . . . . . A 142 MET HG3 . 19108 1 1306 . 1 1 142 142 MET CA C 13 59.051 . . . . . . A 142 MET CA . 19108 1 1307 . 1 1 142 142 MET CB C 13 33.170 . . . . . . A 142 MET CB . 19108 1 1308 . 1 1 142 142 MET N N 15 118.520 . . . . . . A 142 MET N . 19108 1 1309 . 1 1 143 143 LEU H H 1 7.932 . . . . . . A 143 LEU H . 19108 1 1310 . 1 1 143 143 LEU HA H 1 4.292 . . . . . . A 143 LEU HA . 19108 1 1311 . 1 1 143 143 LEU HB3 H 1 1.975 . . . . . . A 143 LEU HB3 . 19108 1 1312 . 1 1 143 143 LEU HG H 1 2.124 . . . . . . A 143 LEU HG . 19108 1 1313 . 1 1 143 143 LEU HD11 H 1 0.810 . . . . . . A 143 LEU HD11 . 19108 1 1314 . 1 1 143 143 LEU HD12 H 1 0.810 . . . . . . A 143 LEU HD12 . 19108 1 1315 . 1 1 143 143 LEU HD13 H 1 0.810 . . . . . . A 143 LEU HD13 . 19108 1 1316 . 1 1 143 143 LEU HD21 H 1 0.734 . . . . . . A 143 LEU HD21 . 19108 1 1317 . 1 1 143 143 LEU HD22 H 1 0.734 . . . . . . A 143 LEU HD22 . 19108 1 1318 . 1 1 143 143 LEU HD23 H 1 0.734 . . . . . . A 143 LEU HD23 . 19108 1 1319 . 1 1 143 143 LEU CA C 13 58.115 . . . . . . A 143 LEU CA . 19108 1 1320 . 1 1 143 143 LEU CB C 13 41.377 . . . . . . A 143 LEU CB . 19108 1 1321 . 1 1 143 143 LEU CD1 C 13 25.528 . . . . . . A 143 LEU CD1 . 19108 1 1322 . 1 1 143 143 LEU CD2 C 13 22.429 . . . . . . A 143 LEU CD2 . 19108 1 1323 . 1 1 143 143 LEU N N 15 118.659 . . . . . . A 143 LEU N . 19108 1 1324 . 1 1 144 144 ARG H H 1 7.968 . . . . . . A 144 ARG H . 19108 1 1325 . 1 1 144 144 ARG HA H 1 4.426 . . . . . . A 144 ARG HA . 19108 1 1326 . 1 1 144 144 ARG HB2 H 1 1.908 . . . . . . A 144 ARG HB2 . 19108 1 1327 . 1 1 144 144 ARG HB3 H 1 2.116 . . . . . . A 144 ARG HB3 . 19108 1 1328 . 1 1 144 144 ARG HG3 H 1 1.585 . . . . . . A 144 ARG HG3 . 19108 1 1329 . 1 1 144 144 ARG CA C 13 58.989 . . . . . . A 144 ARG CA . 19108 1 1330 . 1 1 144 144 ARG CB C 13 28.108 . . . . . . A 144 ARG CB . 19108 1 1331 . 1 1 144 144 ARG N N 15 121.294 . . . . . . A 144 ARG N . 19108 1 1332 . 1 1 145 145 ASP H H 1 8.868 . . . . . . A 145 ASP H . 19108 1 1333 . 1 1 145 145 ASP HA H 1 4.429 . . . . . . A 145 ASP HA . 19108 1 1334 . 1 1 145 145 ASP HB2 H 1 2.741 . . . . . . A 145 ASP HB2 . 19108 1 1335 . 1 1 145 145 ASP HB3 H 1 2.866 . . . . . . A 145 ASP HB3 . 19108 1 1336 . 1 1 145 145 ASP CA C 13 56.578 . . . . . . A 145 ASP CA . 19108 1 1337 . 1 1 145 145 ASP CB C 13 39.590 . . . . . . A 145 ASP CB . 19108 1 1338 . 1 1 145 145 ASP N N 15 122.553 . . . . . . A 145 ASP N . 19108 1 1339 . 1 1 146 146 ALA H H 1 7.737 . . . . . . A 146 ALA H . 19108 1 1340 . 1 1 146 146 ALA HA H 1 4.418 . . . . . . A 146 ALA HA . 19108 1 1341 . 1 1 146 146 ALA HB1 H 1 1.576 . . . . . . A 146 ALA HB1 . 19108 1 1342 . 1 1 146 146 ALA HB2 H 1 1.576 . . . . . . A 146 ALA HB2 . 19108 1 1343 . 1 1 146 146 ALA HB3 H 1 1.576 . . . . . . A 146 ALA HB3 . 19108 1 1344 . 1 1 146 146 ALA CA C 13 52.034 . . . . . . A 146 ALA CA . 19108 1 1345 . 1 1 146 146 ALA CB C 13 19.295 . . . . . . A 146 ALA CB . 19108 1 1346 . 1 1 146 146 ALA N N 15 120.102 . . . . . . A 146 ALA N . 19108 1 1347 . 1 1 147 147 GLY H H 1 7.966 . . . . . . A 147 GLY H . 19108 1 1348 . 1 1 147 147 GLY HA2 H 1 3.722 . . . . . . A 147 GLY HA2 . 19108 1 1349 . 1 1 147 147 GLY HA3 H 1 4.382 . . . . . . A 147 GLY HA3 . 19108 1 1350 . 1 1 147 147 GLY CA C 13 44.864 . . . . . . A 147 GLY CA . 19108 1 1351 . 1 1 147 147 GLY N N 15 105.039 . . . . . . A 147 GLY N . 19108 1 1352 . 1 1 148 148 ALA H H 1 8.051 . . . . . . A 148 ALA H . 19108 1 1353 . 1 1 148 148 ALA HA H 1 4.689 . . . . . . A 148 ALA HA . 19108 1 1354 . 1 1 148 148 ALA HB1 H 1 0.867 . . . . . . A 148 ALA HB1 . 19108 1 1355 . 1 1 148 148 ALA HB2 H 1 0.867 . . . . . . A 148 ALA HB2 . 19108 1 1356 . 1 1 148 148 ALA HB3 H 1 0.867 . . . . . . A 148 ALA HB3 . 19108 1 1357 . 1 1 148 148 ALA CA C 13 51.459 . . . . . . A 148 ALA CA . 19108 1 1358 . 1 1 148 148 ALA CB C 13 18.479 . . . . . . A 148 ALA CB . 19108 1 1359 . 1 1 148 148 ALA N N 15 124.181 . . . . . . A 148 ALA N . 19108 1 1360 . 1 1 149 149 GLN H H 1 7.953 . . . . . . A 149 GLN H . 19108 1 1361 . 1 1 149 149 GLN HA H 1 4.439 . . . . . . A 149 GLN HA . 19108 1 1362 . 1 1 149 149 GLN HB2 H 1 1.852 . . . . . . A 149 GLN HB2 . 19108 1 1363 . 1 1 149 149 GLN HB3 H 1 1.884 . . . . . . A 149 GLN HB3 . 19108 1 1364 . 1 1 149 149 GLN HG2 H 1 2.114 . . . . . . A 149 GLN HG2 . 19108 1 1365 . 1 1 149 149 GLN HG3 H 1 2.323 . . . . . . A 149 GLN HG3 . 19108 1 1366 . 1 1 149 149 GLN HE21 H 1 7.393 . . . . . . A 149 GLN HE21 . 19108 1 1367 . 1 1 149 149 GLN HE22 H 1 6.763 . . . . . . A 149 GLN HE22 . 19108 1 1368 . 1 1 149 149 GLN CA C 13 54.955 . . . . . . A 149 GLN CA . 19108 1 1369 . 1 1 149 149 GLN CB C 13 29.421 . . . . . . A 149 GLN CB . 19108 1 1370 . 1 1 149 149 GLN N N 15 122.185 . . . . . . A 149 GLN N . 19108 1 1371 . 1 1 149 149 GLN NE2 N 15 111.641 . . . . . . A 149 GLN NE2 . 19108 1 1372 . 1 1 150 150 VAL H H 1 8.658 . . . . . . A 150 VAL H . 19108 1 1373 . 1 1 150 150 VAL HA H 1 4.752 . . . . . . A 150 VAL HA . 19108 1 1374 . 1 1 150 150 VAL HB H 1 1.933 . . . . . . A 150 VAL HB . 19108 1 1375 . 1 1 150 150 VAL HG11 H 1 0.874 . . . . . . A 150 VAL HG11 . 19108 1 1376 . 1 1 150 150 VAL HG12 H 1 0.874 . . . . . . A 150 VAL HG12 . 19108 1 1377 . 1 1 150 150 VAL HG13 H 1 0.874 . . . . . . A 150 VAL HG13 . 19108 1 1378 . 1 1 150 150 VAL HG21 H 1 0.785 . . . . . . A 150 VAL HG21 . 19108 1 1379 . 1 1 150 150 VAL HG22 H 1 0.785 . . . . . . A 150 VAL HG22 . 19108 1 1380 . 1 1 150 150 VAL HG23 H 1 0.785 . . . . . . A 150 VAL HG23 . 19108 1 1381 . 1 1 150 150 VAL CA C 13 61.439 . . . . . . A 150 VAL CA . 19108 1 1382 . 1 1 150 150 VAL CB C 13 33.178 . . . . . . A 150 VAL CB . 19108 1 1383 . 1 1 150 150 VAL CG1 C 13 21.495 . . . . . . A 150 VAL CG1 . 19108 1 1384 . 1 1 150 150 VAL CG2 C 13 20.772 . . . . . . A 150 VAL CG2 . 19108 1 1385 . 1 1 150 150 VAL N N 15 127.399 . . . . . . A 150 VAL N . 19108 1 1386 . 1 1 151 151 SER H H 1 8.737 . . . . . . A 151 SER H . 19108 1 1387 . 1 1 151 151 SER HA H 1 5.179 . . . . . . A 151 SER HA . 19108 1 1388 . 1 1 151 151 SER HB2 H 1 3.251 . . . . . . A 151 SER HB2 . 19108 1 1389 . 1 1 151 151 SER HB3 H 1 3.834 . . . . . . A 151 SER HB3 . 19108 1 1390 . 1 1 151 151 SER CA C 13 56.981 . . . . . . A 151 SER CA . 19108 1 1391 . 1 1 151 151 SER CB C 13 66.538 . . . . . . A 151 SER CB . 19108 1 1392 . 1 1 151 151 SER N N 15 120.616 . . . . . . A 151 SER N . 19108 1 1393 . 1 1 152 152 ILE H H 1 8.672 . . . . . . A 152 ILE H . 19108 1 1394 . 1 1 152 152 ILE HA H 1 5.147 . . . . . . A 152 ILE HA . 19108 1 1395 . 1 1 152 152 ILE HB H 1 2.225 . . . . . . A 152 ILE HB . 19108 1 1396 . 1 1 152 152 ILE HG12 H 1 1.222 . . . . . . A 152 ILE HG12 . 19108 1 1397 . 1 1 152 152 ILE HG13 H 1 1.888 . . . . . . A 152 ILE HG13 . 19108 1 1398 . 1 1 152 152 ILE HG21 H 1 1.414 . . . . . . A 152 ILE HG21 . 19108 1 1399 . 1 1 152 152 ILE HG22 H 1 1.414 . . . . . . A 152 ILE HG22 . 19108 1 1400 . 1 1 152 152 ILE HG23 H 1 1.414 . . . . . . A 152 ILE HG23 . 19108 1 1401 . 1 1 152 152 ILE HD11 H 1 0.768 . . . . . . A 152 ILE HD11 . 19108 1 1402 . 1 1 152 152 ILE HD12 H 1 0.768 . . . . . . A 152 ILE HD12 . 19108 1 1403 . 1 1 152 152 ILE HD13 H 1 0.768 . . . . . . A 152 ILE HD13 . 19108 1 1404 . 1 1 152 152 ILE CA C 13 56.518 . . . . . . A 152 ILE CA . 19108 1 1405 . 1 1 152 152 ILE CB C 13 37.080 . . . . . . A 152 ILE CB . 19108 1 1406 . 1 1 152 152 ILE CG2 C 13 18.263 . . . . . . A 152 ILE CG2 . 19108 1 1407 . 1 1 152 152 ILE CD1 C 13 8.297 . . . . . . A 152 ILE CD1 . 19108 1 1408 . 1 1 152 152 ILE N N 15 123.180 . . . . . . A 152 ILE N . 19108 1 1409 . 1 1 153 153 MET H H 1 8.314 . . . . . . A 153 MET H . 19108 1 1410 . 1 1 153 153 MET HA H 1 3.886 . . . . . . A 153 MET HA . 19108 1 1411 . 1 1 153 153 MET HB3 H 1 1.561 . . . . . . A 153 MET HB3 . 19108 1 1412 . 1 1 153 153 MET HG3 H 1 2.098 . . . . . . A 153 MET HG3 . 19108 1 1413 . 1 1 153 153 MET HE1 H 1 1.530 . . . . . . A 153 MET HE1 . 19108 1 1414 . 1 1 153 153 MET HE2 H 1 1.530 . . . . . . A 153 MET HE2 . 19108 1 1415 . 1 1 153 153 MET HE3 H 1 1.530 . . . . . . A 153 MET HE3 . 19108 1 1416 . 1 1 153 153 MET CA C 13 59.053 . . . . . . A 153 MET CA . 19108 1 1417 . 1 1 153 153 MET CB C 13 34.793 . . . . . . A 153 MET CB . 19108 1 1418 . 1 1 153 153 MET CE C 13 17.742 . . . . . . A 153 MET CE . 19108 1 1419 . 1 1 153 153 MET N N 15 123.477 . . . . . . A 153 MET N . 19108 1 1420 . 1 1 154 154 THR H H 1 9.630 . . . . . . A 154 THR H . 19108 1 1421 . 1 1 154 154 THR HA H 1 4.951 . . . . . . A 154 THR HA . 19108 1 1422 . 1 1 154 154 THR HB H 1 4.647 . . . . . . A 154 THR HB . 19108 1 1423 . 1 1 154 154 THR HG21 H 1 1.425 . . . . . . A 154 THR HG21 . 19108 1 1424 . 1 1 154 154 THR HG22 H 1 1.425 . . . . . . A 154 THR HG22 . 19108 1 1425 . 1 1 154 154 THR HG23 H 1 1.425 . . . . . . A 154 THR HG23 . 19108 1 1426 . 1 1 154 154 THR CA C 13 60.436 . . . . . . A 154 THR CA . 19108 1 1427 . 1 1 154 154 THR CB C 13 72.370 . . . . . . A 154 THR CB . 19108 1 1428 . 1 1 154 154 THR N N 15 117.621 . . . . . . A 154 THR N . 19108 1 1429 . 1 1 155 155 TYR H H 1 9.769 . . . . . . A 155 TYR H . 19108 1 1430 . 1 1 155 155 TYR HA H 1 4.099 . . . . . . A 155 TYR HA . 19108 1 1431 . 1 1 155 155 TYR HB2 H 1 3.047 . . . . . . A 155 TYR HB2 . 19108 1 1432 . 1 1 155 155 TYR HD1 H 1 7.163 . . . . . . A 155 TYR HD1 . 19108 1 1433 . 1 1 155 155 TYR HE1 H 1 6.698 . . . . . . A 155 TYR HE1 . 19108 1 1434 . 1 1 155 155 TYR CA C 13 64.439 . . . . . . A 155 TYR CA . 19108 1 1435 . 1 1 155 155 TYR CB C 13 39.286 . . . . . . A 155 TYR CB . 19108 1 1436 . 1 1 155 155 TYR CD1 C 13 133.545 . . . . . . A 155 TYR CD1 . 19108 1 1437 . 1 1 155 155 TYR CE1 C 13 117.901 . . . . . . A 155 TYR CE1 . 19108 1 1438 . 1 1 155 155 TYR N N 15 121.751 . . . . . . A 155 TYR N . 19108 1 1439 . 1 1 156 156 ASP H H 1 8.230 . . . . . . A 156 ASP H . 19108 1 1440 . 1 1 156 156 ASP HA H 1 4.108 . . . . . . A 156 ASP HA . 19108 1 1441 . 1 1 156 156 ASP HB2 H 1 2.318 . . . . . . A 156 ASP HB2 . 19108 1 1442 . 1 1 156 156 ASP HB3 H 1 2.508 . . . . . . A 156 ASP HB3 . 19108 1 1443 . 1 1 156 156 ASP CA C 13 58.260 . . . . . . A 156 ASP CA . 19108 1 1444 . 1 1 156 156 ASP CB C 13 40.618 . . . . . . A 156 ASP CB . 19108 1 1445 . 1 1 156 156 ASP N N 15 115.555 . . . . . . A 156 ASP N . 19108 1 1446 . 1 1 157 157 GLU H H 1 7.470 . . . . . . A 157 GLU H . 19108 1 1447 . 1 1 157 157 GLU HA H 1 3.870 . . . . . . A 157 GLU HA . 19108 1 1448 . 1 1 157 157 GLU HB2 H 1 1.446 . . . . . . A 157 GLU HB2 . 19108 1 1449 . 1 1 157 157 GLU HB3 H 1 1.508 . . . . . . A 157 GLU HB3 . 19108 1 1450 . 1 1 157 157 GLU HG2 H 1 2.088 . . . . . . A 157 GLU HG2 . 19108 1 1451 . 1 1 157 157 GLU HG3 H 1 2.143 . . . . . . A 157 GLU HG3 . 19108 1 1452 . 1 1 157 157 GLU CA C 13 60.507 . . . . . . A 157 GLU CA . 19108 1 1453 . 1 1 157 157 GLU CB C 13 31.048 . . . . . . A 157 GLU CB . 19108 1 1454 . 1 1 157 157 GLU N N 15 117.678 . . . . . . A 157 GLU N . 19108 1 1455 . 1 1 158 158 PHE H H 1 8.077 . . . . . . A 158 PHE H . 19108 1 1456 . 1 1 158 158 PHE HA H 1 3.829 . . . . . . A 158 PHE HA . 19108 1 1457 . 1 1 158 158 PHE HB3 H 1 2.806 . . . . . . A 158 PHE HB3 . 19108 1 1458 . 1 1 158 158 PHE HD1 H 1 7.091 . . . . . . A 158 PHE HD1 . 19108 1 1459 . 1 1 158 158 PHE HE1 H 1 7.138 . . . . . . A 158 PHE HE1 . 19108 1 1460 . 1 1 158 158 PHE CA C 13 62.776 . . . . . . A 158 PHE CA . 19108 1 1461 . 1 1 158 158 PHE CB C 13 39.907 . . . . . . A 158 PHE CB . 19108 1 1462 . 1 1 158 158 PHE N N 15 119.869 . . . . . . A 158 PHE N . 19108 1 1463 . 1 1 159 159 LYS H H 1 8.273 . . . . . . A 159 LYS H . 19108 1 1464 . 1 1 159 159 LYS HA H 1 3.917 . . . . . . A 159 LYS HA . 19108 1 1465 . 1 1 159 159 LYS HB2 H 1 1.259 . . . . . . A 159 LYS HB2 . 19108 1 1466 . 1 1 159 159 LYS HB3 H 1 1.417 . . . . . . A 159 LYS HB3 . 19108 1 1467 . 1 1 159 159 LYS CA C 13 59.231 . . . . . . A 159 LYS CA . 19108 1 1468 . 1 1 159 159 LYS CB C 13 31.963 . . . . . . A 159 LYS CB . 19108 1 1469 . 1 1 159 159 LYS N N 15 118.859 . . . . . . A 159 LYS N . 19108 1 1470 . 1 1 160 160 HIS H H 1 7.695 . . . . . . A 160 HIS H . 19108 1 1471 . 1 1 160 160 HIS HA H 1 4.159 . . . . . . A 160 HIS HA . 19108 1 1472 . 1 1 160 160 HIS HB2 H 1 2.873 . . . . . . A 160 HIS HB2 . 19108 1 1473 . 1 1 160 160 HIS HB3 H 1 3.159 . . . . . . A 160 HIS HB3 . 19108 1 1474 . 1 1 160 160 HIS HD2 H 1 6.340 . . . . . . A 160 HIS HD2 . 19108 1 1475 . 1 1 160 160 HIS HE1 H 1 8.299 . . . . . . A 160 HIS HE1 . 19108 1 1476 . 1 1 160 160 HIS CA C 13 59.981 . . . . . . A 160 HIS CA . 19108 1 1477 . 1 1 160 160 HIS CB C 13 27.930 . . . . . . A 160 HIS CB . 19108 1 1478 . 1 1 160 160 HIS N N 15 115.889 . . . . . . A 160 HIS N . 19108 1 1479 . 1 1 161 161 CYS H H 1 7.885 . . . . . . A 161 CYS H . 19108 1 1480 . 1 1 161 161 CYS HA H 1 3.789 . . . . . . A 161 CYS HA . 19108 1 1481 . 1 1 161 161 CYS HB2 H 1 2.579 . . . . . . A 161 CYS HB2 . 19108 1 1482 . 1 1 161 161 CYS HB3 H 1 2.631 . . . . . . A 161 CYS HB3 . 19108 1 1483 . 1 1 161 161 CYS HG H 1 1.522 . . . . . . A 161 CYS HG . 19108 1 1484 . 1 1 161 161 CYS CA C 13 63.794 . . . . . . A 161 CYS CA . 19108 1 1485 . 1 1 161 161 CYS CB C 13 27.886 . . . . . . A 161 CYS CB . 19108 1 1486 . 1 1 161 161 CYS N N 15 118.188 . . . . . . A 161 CYS N . 19108 1 1487 . 1 1 162 162 TRP H H 1 8.040 . . . . . . A 162 TRP H . 19108 1 1488 . 1 1 162 162 TRP HA H 1 3.764 . . . . . . A 162 TRP HA . 19108 1 1489 . 1 1 162 162 TRP HB2 H 1 2.992 . . . . . . A 162 TRP HB2 . 19108 1 1490 . 1 1 162 162 TRP HB3 H 1 3.173 . . . . . . A 162 TRP HB3 . 19108 1 1491 . 1 1 162 162 TRP HD1 H 1 7.397 . . . . . . A 162 TRP HD1 . 19108 1 1492 . 1 1 162 162 TRP HE1 H 1 10.204 . . . . . . A 162 TRP HE1 . 19108 1 1493 . 1 1 162 162 TRP HE3 H 1 7.326 . . . . . . A 162 TRP HE3 . 19108 1 1494 . 1 1 162 162 TRP HZ2 H 1 7.251 . . . . . . A 162 TRP HZ2 . 19108 1 1495 . 1 1 162 162 TRP HZ3 H 1 7.056 . . . . . . A 162 TRP HZ3 . 19108 1 1496 . 1 1 162 162 TRP HH2 H 1 7.188 . . . . . . A 162 TRP HH2 . 19108 1 1497 . 1 1 162 162 TRP CA C 13 59.717 . . . . . . A 162 TRP CA . 19108 1 1498 . 1 1 162 162 TRP CB C 13 28.593 . . . . . . A 162 TRP CB . 19108 1 1499 . 1 1 162 162 TRP N N 15 122.741 . . . . . . A 162 TRP N . 19108 1 1500 . 1 1 162 162 TRP NE1 N 15 132.469 . . . . . . A 162 TRP NE1 . 19108 1 1501 . 1 1 163 163 ASP H H 1 8.319 . . . . . . A 163 ASP H . 19108 1 1502 . 1 1 163 163 ASP HA H 1 4.126 . . . . . . A 163 ASP HA . 19108 1 1503 . 1 1 163 163 ASP HB3 H 1 2.498 . . . . . . A 163 ASP HB3 . 19108 1 1504 . 1 1 163 163 ASP CA C 13 56.929 . . . . . . A 163 ASP CA . 19108 1 1505 . 1 1 163 163 ASP CB C 13 40.535 . . . . . . A 163 ASP CB . 19108 1 1506 . 1 1 163 163 ASP N N 15 113.796 . . . . . . A 163 ASP N . 19108 1 1507 . 1 1 164 164 THR H H 1 7.494 . . . . . . A 164 THR H . 19108 1 1508 . 1 1 164 164 THR HA H 1 3.803 . . . . . . A 164 THR HA . 19108 1 1509 . 1 1 164 164 THR HB H 1 2.999 . . . . . . A 164 THR HB . 19108 1 1510 . 1 1 164 164 THR HG21 H 1 0.196 . . . . . . A 164 THR HG21 . 19108 1 1511 . 1 1 164 164 THR HG22 H 1 0.196 . . . . . . A 164 THR HG22 . 19108 1 1512 . 1 1 164 164 THR HG23 H 1 0.196 . . . . . . A 164 THR HG23 . 19108 1 1513 . 1 1 164 164 THR CA C 13 65.164 . . . . . . A 164 THR CA . 19108 1 1514 . 1 1 164 164 THR CB C 13 70.171 . . . . . . A 164 THR CB . 19108 1 1515 . 1 1 164 164 THR CG2 C 13 20.097 . . . . . . A 164 THR CG2 . 19108 1 1516 . 1 1 164 164 THR N N 15 112.008 . . . . . . A 164 THR N . 19108 1 1517 . 1 1 165 165 PHE H H 1 8.235 . . . . . . A 165 PHE H . 19108 1 1518 . 1 1 165 165 PHE HA H 1 4.535 . . . . . . A 165 PHE HA . 19108 1 1519 . 1 1 165 165 PHE HB3 H 1 3.077 . . . . . . A 165 PHE HB3 . 19108 1 1520 . 1 1 165 165 PHE HD1 H 1 7.249 . . . . . . A 165 PHE HD1 . 19108 1 1521 . 1 1 165 165 PHE HE1 H 1 7.214 . . . . . . A 165 PHE HE1 . 19108 1 1522 . 1 1 165 165 PHE HZ H 1 7.347 . . . . . . A 165 PHE HZ . 19108 1 1523 . 1 1 165 165 PHE CA C 13 57.969 . . . . . . A 165 PHE CA . 19108 1 1524 . 1 1 165 165 PHE CB C 13 40.368 . . . . . . A 165 PHE CB . 19108 1 1525 . 1 1 165 165 PHE N N 15 115.079 . . . . . . A 165 PHE N . 19108 1 1526 . 1 1 166 166 VAL H H 1 6.838 . . . . . . A 166 VAL H . 19108 1 1527 . 1 1 166 166 VAL HA H 1 4.025 . . . . . . A 166 VAL HA . 19108 1 1528 . 1 1 166 166 VAL HB H 1 1.900 . . . . . . A 166 VAL HB . 19108 1 1529 . 1 1 166 166 VAL HG11 H 1 0.131 . . . . . . A 166 VAL HG11 . 19108 1 1530 . 1 1 166 166 VAL HG12 H 1 0.131 . . . . . . A 166 VAL HG12 . 19108 1 1531 . 1 1 166 166 VAL HG13 H 1 0.131 . . . . . . A 166 VAL HG13 . 19108 1 1532 . 1 1 166 166 VAL HG21 H 1 -0.341 . . . . . . A 166 VAL HG21 . 19108 1 1533 . 1 1 166 166 VAL HG22 H 1 -0.341 . . . . . . A 166 VAL HG22 . 19108 1 1534 . 1 1 166 166 VAL HG23 H 1 -0.341 . . . . . . A 166 VAL HG23 . 19108 1 1535 . 1 1 166 166 VAL CA C 13 61.001 . . . . . . A 166 VAL CA . 19108 1 1536 . 1 1 166 166 VAL CB C 13 31.355 . . . . . . A 166 VAL CB . 19108 1 1537 . 1 1 166 166 VAL CG1 C 13 23.606 . . . . . . A 166 VAL CG1 . 19108 1 1538 . 1 1 166 166 VAL CG2 C 13 20.026 . . . . . . A 166 VAL CG2 . 19108 1 1539 . 1 1 166 166 VAL N N 15 118.432 . . . . . . A 166 VAL N . 19108 1 1540 . 1 1 167 167 ASP H H 1 8.498 . . . . . . A 167 ASP H . 19108 1 1541 . 1 1 167 167 ASP HA H 1 3.848 . . . . . . A 167 ASP HA . 19108 1 1542 . 1 1 167 167 ASP HB3 H 1 2.747 . . . . . . A 167 ASP HB3 . 19108 1 1543 . 1 1 167 167 ASP CA C 13 51.630 . . . . . . A 167 ASP CA . 19108 1 1544 . 1 1 167 167 ASP CB C 13 38.080 . . . . . . A 167 ASP CB . 19108 1 1545 . 1 1 167 167 ASP N N 15 126.263 . . . . . . A 167 ASP N . 19108 1 1546 . 1 1 168 168 HIS H H 1 6.977 . . . . . . A 168 HIS H . 19108 1 1547 . 1 1 168 168 HIS HA H 1 4.346 . . . . . . A 168 HIS HA . 19108 1 1548 . 1 1 168 168 HIS HB3 H 1 2.353 . . . . . . A 168 HIS HB3 . 19108 1 1549 . 1 1 168 168 HIS HD2 H 1 7.663 . . . . . . A 168 HIS HD2 . 19108 1 1550 . 1 1 168 168 HIS CA C 13 56.575 . . . . . . A 168 HIS CA . 19108 1 1551 . 1 1 168 168 HIS CB C 13 32.462 . . . . . . A 168 HIS CB . 19108 1 1552 . 1 1 168 168 HIS N N 15 119.890 . . . . . . A 168 HIS N . 19108 1 1553 . 1 1 169 169 GLN H H 1 9.126 . . . . . . A 169 GLN H . 19108 1 1554 . 1 1 169 169 GLN HA H 1 3.723 . . . . . . A 169 GLN HA . 19108 1 1555 . 1 1 169 169 GLN HB2 H 1 2.058 . . . . . . A 169 GLN HB2 . 19108 1 1556 . 1 1 169 169 GLN HB3 H 1 2.222 . . . . . . A 169 GLN HB3 . 19108 1 1557 . 1 1 169 169 GLN HG2 H 1 2.079 . . . . . . A 169 GLN HG2 . 19108 1 1558 . 1 1 169 169 GLN HG3 H 1 2.213 . . . . . . A 169 GLN HG3 . 19108 1 1559 . 1 1 169 169 GLN HE21 H 1 7.865 . . . . . . A 169 GLN HE21 . 19108 1 1560 . 1 1 169 169 GLN HE22 H 1 6.678 . . . . . . A 169 GLN HE22 . 19108 1 1561 . 1 1 169 169 GLN CA C 13 56.770 . . . . . . A 169 GLN CA . 19108 1 1562 . 1 1 169 169 GLN CB C 13 26.521 . . . . . . A 169 GLN CB . 19108 1 1563 . 1 1 169 169 GLN CG C 13 33.836 . . . . . . A 169 GLN CG . 19108 1 1564 . 1 1 169 169 GLN N N 15 119.254 . . . . . . A 169 GLN N . 19108 1 1565 . 1 1 169 169 GLN NE2 N 15 114.628 . . . . . . A 169 GLN NE2 . 19108 1 1566 . 1 1 170 170 GLY H H 1 11.556 . . . . . . A 170 GLY H . 19108 1 1567 . 1 1 170 170 GLY HA2 H 1 3.702 . . . . . . A 170 GLY HA2 . 19108 1 1568 . 1 1 170 170 GLY HA3 H 1 4.341 . . . . . . A 170 GLY HA3 . 19108 1 1569 . 1 1 170 170 GLY CA C 13 44.824 . . . . . . A 170 GLY CA . 19108 1 1570 . 1 1 170 170 GLY N N 15 111.911 . . . . . . A 170 GLY N . 19108 1 1571 . 1 1 171 171 CYS H H 1 8.044 . . . . . . A 171 CYS H . 19108 1 1572 . 1 1 171 171 CYS HA H 1 4.716 . . . . . . A 171 CYS HA . 19108 1 1573 . 1 1 171 171 CYS HB2 H 1 3.163 . . . . . . A 171 CYS HB2 . 19108 1 1574 . 1 1 171 171 CYS HB3 H 1 3.359 . . . . . . A 171 CYS HB3 . 19108 1 1575 . 1 1 171 171 CYS CA C 13 57.785 . . . . . . A 171 CYS CA . 19108 1 1576 . 1 1 171 171 CYS CB C 13 27.904 . . . . . . A 171 CYS CB . 19108 1 1577 . 1 1 171 171 CYS N N 15 123.390 . . . . . . A 171 CYS N . 19108 1 1578 . 1 1 172 172 PRO HA H 1 4.618 . . . . . . A 172 PRO HA . 19108 1 1579 . 1 1 172 172 PRO HB2 H 1 1.752 . . . . . . A 172 PRO HB2 . 19108 1 1580 . 1 1 172 172 PRO HB3 H 1 2.250 . . . . . . A 172 PRO HB3 . 19108 1 1581 . 1 1 172 172 PRO CA C 13 61.858 . . . . . . A 172 PRO CA . 19108 1 1582 . 1 1 172 172 PRO CB C 13 32.529 . . . . . . A 172 PRO CB . 19108 1 1583 . 1 1 173 173 PHE H H 1 8.842 . . . . . . A 173 PHE H . 19108 1 1584 . 1 1 173 173 PHE HA H 1 2.656 . . . . . . A 173 PHE HA . 19108 1 1585 . 1 1 173 173 PHE HB2 H 1 2.311 . . . . . . A 173 PHE HB2 . 19108 1 1586 . 1 1 173 173 PHE HB3 H 1 2.334 . . . . . . A 173 PHE HB3 . 19108 1 1587 . 1 1 173 173 PHE HD1 H 1 6.347 . . . . . . A 173 PHE HD1 . 19108 1 1588 . 1 1 173 173 PHE HE1 H 1 6.775 . . . . . . A 173 PHE HE1 . 19108 1 1589 . 1 1 173 173 PHE HZ H 1 5.995 . . . . . . A 173 PHE HZ . 19108 1 1590 . 1 1 173 173 PHE CA C 13 57.541 . . . . . . A 173 PHE CA . 19108 1 1591 . 1 1 173 173 PHE CB C 13 38.746 . . . . . . A 173 PHE CB . 19108 1 1592 . 1 1 173 173 PHE N N 15 121.101 . . . . . . A 173 PHE N . 19108 1 1593 . 1 1 174 174 GLN H H 1 7.250 . . . . . . A 174 GLN H . 19108 1 1594 . 1 1 174 174 GLN HA H 1 4.317 . . . . . . A 174 GLN HA . 19108 1 1595 . 1 1 174 174 GLN HB2 H 1 1.520 . . . . . . A 174 GLN HB2 . 19108 1 1596 . 1 1 174 174 GLN HB3 H 1 1.563 . . . . . . A 174 GLN HB3 . 19108 1 1597 . 1 1 174 174 GLN HG2 H 1 1.992 . . . . . . A 174 GLN HG2 . 19108 1 1598 . 1 1 174 174 GLN HG3 H 1 2.011 . . . . . . A 174 GLN HG3 . 19108 1 1599 . 1 1 174 174 GLN HE21 H 1 7.332 . . . . . . A 174 GLN HE21 . 19108 1 1600 . 1 1 174 174 GLN HE22 H 1 6.808 . . . . . . A 174 GLN HE22 . 19108 1 1601 . 1 1 174 174 GLN CA C 13 50.795 . . . . . . A 174 GLN CA . 19108 1 1602 . 1 1 174 174 GLN CB C 13 29.097 . . . . . . A 174 GLN CB . 19108 1 1603 . 1 1 174 174 GLN CG C 13 33.111 . . . . . . A 174 GLN CG . 19108 1 1604 . 1 1 174 174 GLN N N 15 129.493 . . . . . . A 174 GLN N . 19108 1 1605 . 1 1 174 174 GLN NE2 N 15 112.507 . . . . . . A 174 GLN NE2 . 19108 1 1606 . 1 1 175 175 PRO HA H 1 2.914 . . . . . . A 175 PRO HA . 19108 1 1607 . 1 1 175 175 PRO HB2 H 1 1.646 . . . . . . A 175 PRO HB2 . 19108 1 1608 . 1 1 175 175 PRO HB3 H 1 1.719 . . . . . . A 175 PRO HB3 . 19108 1 1609 . 1 1 175 175 PRO HG2 H 1 1.823 . . . . . . A 175 PRO HG2 . 19108 1 1610 . 1 1 175 175 PRO HG3 H 1 1.862 . . . . . . A 175 PRO HG3 . 19108 1 1611 . 1 1 175 175 PRO HD3 H 1 3.523 . . . . . . A 175 PRO HD3 . 19108 1 1612 . 1 1 175 175 PRO CA C 13 62.423 . . . . . . A 175 PRO CA . 19108 1 1613 . 1 1 176 176 TRP H H 1 5.591 . . . . . . A 176 TRP H . 19108 1 1614 . 1 1 176 176 TRP HA H 1 4.633 . . . . . . A 176 TRP HA . 19108 1 1615 . 1 1 176 176 TRP HB2 H 1 3.283 . . . . . . A 176 TRP HB2 . 19108 1 1616 . 1 1 176 176 TRP HB3 H 1 3.422 . . . . . . A 176 TRP HB3 . 19108 1 1617 . 1 1 176 176 TRP HD1 H 1 7.032 . . . . . . A 176 TRP HD1 . 19108 1 1618 . 1 1 176 176 TRP HE1 H 1 10.022 . . . . . . A 176 TRP HE1 . 19108 1 1619 . 1 1 176 176 TRP HE3 H 1 7.654 . . . . . . A 176 TRP HE3 . 19108 1 1620 . 1 1 176 176 TRP HZ2 H 1 6.165 . . . . . . A 176 TRP HZ2 . 19108 1 1621 . 1 1 176 176 TRP HZ3 H 1 7.086 . . . . . . A 176 TRP HZ3 . 19108 1 1622 . 1 1 176 176 TRP HH2 H 1 6.331 . . . . . . A 176 TRP HH2 . 19108 1 1623 . 1 1 176 176 TRP CA C 13 55.162 . . . . . . A 176 TRP CA . 19108 1 1624 . 1 1 176 176 TRP CB C 13 28.889 . . . . . . A 176 TRP CB . 19108 1 1625 . 1 1 176 176 TRP N N 15 118.133 . . . . . . A 176 TRP N . 19108 1 1626 . 1 1 176 176 TRP NE1 N 15 128.845 . . . . . . A 176 TRP NE1 . 19108 1 1627 . 1 1 177 177 ASP H H 1 8.848 . . . . . . A 177 ASP H . 19108 1 1628 . 1 1 177 177 ASP HA H 1 4.397 . . . . . . A 177 ASP HA . 19108 1 1629 . 1 1 177 177 ASP HB2 H 1 2.649 . . . . . . A 177 ASP HB2 . 19108 1 1630 . 1 1 177 177 ASP HB3 H 1 2.682 . . . . . . A 177 ASP HB3 . 19108 1 1631 . 1 1 177 177 ASP CA C 13 56.172 . . . . . . A 177 ASP CA . 19108 1 1632 . 1 1 177 177 ASP CB C 13 40.675 . . . . . . A 177 ASP CB . 19108 1 1633 . 1 1 177 177 ASP N N 15 121.814 . . . . . . A 177 ASP N . 19108 1 1634 . 1 1 178 178 GLY H H 1 8.987 . . . . . . A 178 GLY H . 19108 1 1635 . 1 1 178 178 GLY HA2 H 1 3.997 . . . . . . A 178 GLY HA2 . 19108 1 1636 . 1 1 178 178 GLY HA3 H 1 4.411 . . . . . . A 178 GLY HA3 . 19108 1 1637 . 1 1 178 178 GLY CA C 13 45.666 . . . . . . A 178 GLY CA . 19108 1 1638 . 1 1 178 178 GLY N N 15 111.875 . . . . . . A 178 GLY N . 19108 1 1639 . 1 1 179 179 LEU H H 1 7.148 . . . . . . A 179 LEU H . 19108 1 1640 . 1 1 179 179 LEU HA H 1 4.488 . . . . . . A 179 LEU HA . 19108 1 1641 . 1 1 179 179 LEU HB3 H 1 1.275 . . . . . . A 179 LEU HB3 . 19108 1 1642 . 1 1 179 179 LEU HG H 1 -0.199 . . . . . . A 179 LEU HG . 19108 1 1643 . 1 1 179 179 LEU HD11 H 1 1.124 . . . . . . A 179 LEU HD11 . 19108 1 1644 . 1 1 179 179 LEU HD12 H 1 1.124 . . . . . . A 179 LEU HD12 . 19108 1 1645 . 1 1 179 179 LEU HD13 H 1 1.124 . . . . . . A 179 LEU HD13 . 19108 1 1646 . 1 1 179 179 LEU HD21 H 1 1.667 . . . . . . A 179 LEU HD21 . 19108 1 1647 . 1 1 179 179 LEU HD22 H 1 1.667 . . . . . . A 179 LEU HD22 . 19108 1 1648 . 1 1 179 179 LEU HD23 H 1 1.667 . . . . . . A 179 LEU HD23 . 19108 1 1649 . 1 1 179 179 LEU CA C 13 60.782 . . . . . . A 179 LEU CA . 19108 1 1650 . 1 1 179 179 LEU CB C 13 42.229 . . . . . . A 179 LEU CB . 19108 1 1651 . 1 1 179 179 LEU CG C 13 27.960 . . . . . . A 179 LEU CG . 19108 1 1652 . 1 1 179 179 LEU CD1 C 13 23.253 . . . . . . A 179 LEU CD1 . 19108 1 1653 . 1 1 179 179 LEU N N 15 121.470 . . . . . . A 179 LEU N . 19108 1 1654 . 1 1 180 180 ASP H H 1 8.874 . . . . . . A 180 ASP H . 19108 1 1655 . 1 1 180 180 ASP HA H 1 4.492 . . . . . . A 180 ASP HA . 19108 1 1656 . 1 1 180 180 ASP HB2 H 1 2.652 . . . . . . A 180 ASP HB2 . 19108 1 1657 . 1 1 180 180 ASP HB3 H 1 2.693 . . . . . . A 180 ASP HB3 . 19108 1 1658 . 1 1 180 180 ASP CA C 13 57.939 . . . . . . A 180 ASP CA . 19108 1 1659 . 1 1 180 180 ASP CB C 13 40.713 . . . . . . A 180 ASP CB . 19108 1 1660 . 1 1 180 180 ASP N N 15 119.476 . . . . . . A 180 ASP N . 19108 1 1661 . 1 1 181 181 GLU H H 1 8.712 . . . . . . A 181 GLU H . 19108 1 1662 . 1 1 181 181 GLU HA H 1 4.012 . . . . . . A 181 GLU HA . 19108 1 1663 . 1 1 181 181 GLU HB2 H 1 1.860 . . . . . . A 181 GLU HB2 . 19108 1 1664 . 1 1 181 181 GLU HB3 H 1 2.050 . . . . . . A 181 GLU HB3 . 19108 1 1665 . 1 1 181 181 GLU HG2 H 1 2.266 . . . . . . A 181 GLU HG2 . 19108 1 1666 . 1 1 181 181 GLU HG3 H 1 2.316 . . . . . . A 181 GLU HG3 . 19108 1 1667 . 1 1 181 181 GLU CA C 13 59.969 . . . . . . A 181 GLU CA . 19108 1 1668 . 1 1 181 181 GLU CB C 13 28.926 . . . . . . A 181 GLU CB . 19108 1 1669 . 1 1 181 181 GLU CG C 13 36.665 . . . . . . A 181 GLU CG . 19108 1 1670 . 1 1 181 181 GLU N N 15 122.379 . . . . . . A 181 GLU N . 19108 1 1671 . 1 1 182 182 HIS H H 1 8.854 . . . . . . A 182 HIS H . 19108 1 1672 . 1 1 182 182 HIS HA H 1 4.754 . . . . . . A 182 HIS HA . 19108 1 1673 . 1 1 182 182 HIS HB2 H 1 3.017 . . . . . . A 182 HIS HB2 . 19108 1 1674 . 1 1 182 182 HIS HB3 H 1 3.336 . . . . . . A 182 HIS HB3 . 19108 1 1675 . 1 1 182 182 HIS HD2 H 1 7.131 . . . . . . A 182 HIS HD2 . 19108 1 1676 . 1 1 182 182 HIS CA C 13 59.029 . . . . . . A 182 HIS CA . 19108 1 1677 . 1 1 182 182 HIS CB C 13 28.848 . . . . . . A 182 HIS CB . 19108 1 1678 . 1 1 182 182 HIS N N 15 118.572 . . . . . . A 182 HIS N . 19108 1 1679 . 1 1 183 183 SER H H 1 8.665 . . . . . . A 183 SER H . 19108 1 1680 . 1 1 183 183 SER HA H 1 4.554 . . . . . . A 183 SER HA . 19108 1 1681 . 1 1 183 183 SER HB3 H 1 3.979 . . . . . . A 183 SER HB3 . 19108 1 1682 . 1 1 183 183 SER CA C 13 63.604 . . . . . . A 183 SER CA . 19108 1 1683 . 1 1 183 183 SER CB C 13 65.216 . . . . . . A 183 SER CB . 19108 1 1684 . 1 1 183 183 SER N N 15 116.329 . . . . . . A 183 SER N . 19108 1 1685 . 1 1 184 184 GLN H H 1 8.714 . . . . . . A 184 GLN H . 19108 1 1686 . 1 1 184 184 GLN HA H 1 4.247 . . . . . . A 184 GLN HA . 19108 1 1687 . 1 1 184 184 GLN HB3 H 1 2.285 . . . . . . A 184 GLN HB3 . 19108 1 1688 . 1 1 184 184 GLN HG2 H 1 2.531 . . . . . . A 184 GLN HG2 . 19108 1 1689 . 1 1 184 184 GLN HG3 H 1 2.644 . . . . . . A 184 GLN HG3 . 19108 1 1690 . 1 1 184 184 GLN HE21 H 1 7.563 . . . . . . A 184 GLN HE21 . 19108 1 1691 . 1 1 184 184 GLN HE22 H 1 6.904 . . . . . . A 184 GLN HE22 . 19108 1 1692 . 1 1 184 184 GLN CA C 13 58.960 . . . . . . A 184 GLN CA . 19108 1 1693 . 1 1 184 184 GLN CB C 13 28.935 . . . . . . A 184 GLN CB . 19108 1 1694 . 1 1 184 184 GLN CG C 13 34.074 . . . . . . A 184 GLN CG . 19108 1 1695 . 1 1 184 184 GLN N N 15 122.215 . . . . . . A 184 GLN N . 19108 1 1696 . 1 1 184 184 GLN NE2 N 15 111.721 . . . . . . A 184 GLN NE2 . 19108 1 1697 . 1 1 185 185 ALA H H 1 8.258 . . . . . . A 185 ALA H . 19108 1 1698 . 1 1 185 185 ALA HA H 1 4.284 . . . . . . A 185 ALA HA . 19108 1 1699 . 1 1 185 185 ALA HB1 H 1 1.726 . . . . . . A 185 ALA HB1 . 19108 1 1700 . 1 1 185 185 ALA HB2 H 1 1.726 . . . . . . A 185 ALA HB2 . 19108 1 1701 . 1 1 185 185 ALA HB3 H 1 1.726 . . . . . . A 185 ALA HB3 . 19108 1 1702 . 1 1 185 185 ALA CA C 13 55.469 . . . . . . A 185 ALA CA . 19108 1 1703 . 1 1 185 185 ALA CB C 13 18.374 . . . . . . A 185 ALA CB . 19108 1 1704 . 1 1 185 185 ALA N N 15 124.432 . . . . . . A 185 ALA N . 19108 1 1705 . 1 1 186 186 LEU H H 1 8.953 . . . . . . A 186 LEU H . 19108 1 1706 . 1 1 186 186 LEU HA H 1 4.212 . . . . . . A 186 LEU HA . 19108 1 1707 . 1 1 186 186 LEU HB2 H 1 2.258 . . . . . . A 186 LEU HB2 . 19108 1 1708 . 1 1 186 186 LEU HG H 1 2.274 . . . . . . A 186 LEU HG . 19108 1 1709 . 1 1 186 186 LEU HD11 H 1 1.415 . . . . . . A 186 LEU HD11 . 19108 1 1710 . 1 1 186 186 LEU HD12 H 1 1.415 . . . . . . A 186 LEU HD12 . 19108 1 1711 . 1 1 186 186 LEU HD13 H 1 1.415 . . . . . . A 186 LEU HD13 . 19108 1 1712 . 1 1 186 186 LEU HD21 H 1 1.195 . . . . . . A 186 LEU HD21 . 19108 1 1713 . 1 1 186 186 LEU HD22 H 1 1.195 . . . . . . A 186 LEU HD22 . 19108 1 1714 . 1 1 186 186 LEU HD23 H 1 1.195 . . . . . . A 186 LEU HD23 . 19108 1 1715 . 1 1 186 186 LEU CA C 13 58.216 . . . . . . A 186 LEU CA . 19108 1 1716 . 1 1 186 186 LEU CB C 13 42.764 . . . . . . A 186 LEU CB . 19108 1 1717 . 1 1 186 186 LEU CD1 C 13 27.135 . . . . . . A 186 LEU CD1 . 19108 1 1718 . 1 1 186 186 LEU CD2 C 13 24.302 . . . . . . A 186 LEU CD2 . 19108 1 1719 . 1 1 186 186 LEU N N 15 119.941 . . . . . . A 186 LEU N . 19108 1 1720 . 1 1 187 187 SER H H 1 8.935 . . . . . . A 187 SER H . 19108 1 1721 . 1 1 187 187 SER HA H 1 4.039 . . . . . . A 187 SER HA . 19108 1 1722 . 1 1 187 187 SER HB2 H 1 4.301 . . . . . . A 187 SER HB2 . 19108 1 1723 . 1 1 187 187 SER HB3 H 1 4.284 . . . . . . A 187 SER HB3 . 19108 1 1724 . 1 1 187 187 SER CA C 13 63.302 . . . . . . A 187 SER CA . 19108 1 1725 . 1 1 187 187 SER CB C 13 62.760 . . . . . . A 187 SER CB . 19108 1 1726 . 1 1 187 187 SER N N 15 116.987 . . . . . . A 187 SER N . 19108 1 1727 . 1 1 188 188 GLY H H 1 8.228 . . . . . . A 188 GLY H . 19108 1 1728 . 1 1 188 188 GLY HA2 H 1 4.147 . . . . . . A 188 GLY HA2 . 19108 1 1729 . 1 1 188 188 GLY HA3 H 1 4.198 . . . . . . A 188 GLY HA3 . 19108 1 1730 . 1 1 188 188 GLY CA C 13 47.154 . . . . . . A 188 GLY CA . 19108 1 1731 . 1 1 188 188 GLY N N 15 110.215 . . . . . . A 188 GLY N . 19108 1 1732 . 1 1 189 189 ARG H H 1 7.838 . . . . . . A 189 ARG H . 19108 1 1733 . 1 1 189 189 ARG HA H 1 4.237 . . . . . . A 189 ARG HA . 19108 1 1734 . 1 1 189 189 ARG HB3 H 1 2.081 . . . . . . A 189 ARG HB3 . 19108 1 1735 . 1 1 189 189 ARG HG3 H 1 1.790 . . . . . . A 189 ARG HG3 . 19108 1 1736 . 1 1 189 189 ARG CA C 13 59.559 . . . . . . A 189 ARG CA . 19108 1 1737 . 1 1 189 189 ARG CB C 13 30.395 . . . . . . A 189 ARG CB . 19108 1 1738 . 1 1 189 189 ARG N N 15 122.994 . . . . . . A 189 ARG N . 19108 1 1739 . 1 1 190 190 LEU H H 1 8.791 . . . . . . A 190 LEU H . 19108 1 1740 . 1 1 190 190 LEU HA H 1 4.238 . . . . . . A 190 LEU HA . 19108 1 1741 . 1 1 190 190 LEU HD11 H 1 0.999 . . . . . . A 190 LEU HD11 . 19108 1 1742 . 1 1 190 190 LEU HD12 H 1 0.999 . . . . . . A 190 LEU HD12 . 19108 1 1743 . 1 1 190 190 LEU HD13 H 1 0.999 . . . . . . A 190 LEU HD13 . 19108 1 1744 . 1 1 190 190 LEU HD21 H 1 0.980 . . . . . . A 190 LEU HD21 . 19108 1 1745 . 1 1 190 190 LEU HD22 H 1 0.980 . . . . . . A 190 LEU HD22 . 19108 1 1746 . 1 1 190 190 LEU HD23 H 1 0.980 . . . . . . A 190 LEU HD23 . 19108 1 1747 . 1 1 190 190 LEU CA C 13 58.219 . . . . . . A 190 LEU CA . 19108 1 1748 . 1 1 190 190 LEU CB C 13 41.242 . . . . . . A 190 LEU CB . 19108 1 1749 . 1 1 190 190 LEU CD1 C 13 26.342 . . . . . . A 190 LEU CD1 . 19108 1 1750 . 1 1 190 190 LEU CD2 C 13 25.400 . . . . . . A 190 LEU CD2 . 19108 1 1751 . 1 1 190 190 LEU N N 15 119.765 . . . . . . A 190 LEU N . 19108 1 1752 . 1 1 191 191 ARG H H 1 8.305 . . . . . . A 191 ARG H . 19108 1 1753 . 1 1 191 191 ARG HA H 1 4.043 . . . . . . A 191 ARG HA . 19108 1 1754 . 1 1 191 191 ARG HB2 H 1 1.969 . . . . . . A 191 ARG HB2 . 19108 1 1755 . 1 1 191 191 ARG HB3 H 1 2.037 . . . . . . A 191 ARG HB3 . 19108 1 1756 . 1 1 191 191 ARG HG2 H 1 1.643 . . . . . . A 191 ARG HG2 . 19108 1 1757 . 1 1 191 191 ARG HG3 H 1 1.871 . . . . . . A 191 ARG HG3 . 19108 1 1758 . 1 1 191 191 ARG HD2 H 1 3.277 . . . . . . A 191 ARG HD2 . 19108 1 1759 . 1 1 191 191 ARG HD3 H 1 3.302 . . . . . . A 191 ARG HD3 . 19108 1 1760 . 1 1 191 191 ARG CA C 13 59.782 . . . . . . A 191 ARG CA . 19108 1 1761 . 1 1 191 191 ARG CB C 13 30.191 . . . . . . A 191 ARG CB . 19108 1 1762 . 1 1 191 191 ARG CG C 13 27.697 . . . . . . A 191 ARG CG . 19108 1 1763 . 1 1 191 191 ARG N N 15 118.427 . . . . . . A 191 ARG N . 19108 1 1764 . 1 1 192 192 ALA H H 1 7.414 . . . . . . A 192 ALA H . 19108 1 1765 . 1 1 192 192 ALA HA H 1 4.217 . . . . . . A 192 ALA HA . 19108 1 1766 . 1 1 192 192 ALA HB1 H 1 1.593 . . . . . . A 192 ALA HB1 . 19108 1 1767 . 1 1 192 192 ALA HB2 H 1 1.593 . . . . . . A 192 ALA HB2 . 19108 1 1768 . 1 1 192 192 ALA HB3 H 1 1.593 . . . . . . A 192 ALA HB3 . 19108 1 1769 . 1 1 192 192 ALA CA C 13 54.716 . . . . . . A 192 ALA CA . 19108 1 1770 . 1 1 192 192 ALA CB C 13 18.165 . . . . . . A 192 ALA CB . 19108 1 1771 . 1 1 192 192 ALA N N 15 119.414 . . . . . . A 192 ALA N . 19108 1 1772 . 1 1 193 193 ILE H H 1 7.896 . . . . . . A 193 ILE H . 19108 1 1773 . 1 1 193 193 ILE HA H 1 3.770 . . . . . . A 193 ILE HA . 19108 1 1774 . 1 1 193 193 ILE HB H 1 2.120 . . . . . . A 193 ILE HB . 19108 1 1775 . 1 1 193 193 ILE HG12 H 1 2.130 . . . . . . A 193 ILE HG12 . 19108 1 1776 . 1 1 193 193 ILE HG13 H 1 2.169 . . . . . . A 193 ILE HG13 . 19108 1 1777 . 1 1 193 193 ILE HG21 H 1 0.962 . . . . . . A 193 ILE HG21 . 19108 1 1778 . 1 1 193 193 ILE HG22 H 1 0.962 . . . . . . A 193 ILE HG22 . 19108 1 1779 . 1 1 193 193 ILE HG23 H 1 0.962 . . . . . . A 193 ILE HG23 . 19108 1 1780 . 1 1 193 193 ILE HD11 H 1 1.081 . . . . . . A 193 ILE HD11 . 19108 1 1781 . 1 1 193 193 ILE HD12 H 1 1.081 . . . . . . A 193 ILE HD12 . 19108 1 1782 . 1 1 193 193 ILE HD13 H 1 1.081 . . . . . . A 193 ILE HD13 . 19108 1 1783 . 1 1 193 193 ILE CA C 13 64.838 . . . . . . A 193 ILE CA . 19108 1 1784 . 1 1 193 193 ILE CB C 13 39.446 . . . . . . A 193 ILE CB . 19108 1 1785 . 1 1 193 193 ILE CG1 C 13 29.482 . . . . . . A 193 ILE CG1 . 19108 1 1786 . 1 1 193 193 ILE CG2 C 13 17.748 . . . . . . A 193 ILE CG2 . 19108 1 1787 . 1 1 193 193 ILE CD1 C 13 15.453 . . . . . . A 193 ILE CD1 . 19108 1 1788 . 1 1 193 193 ILE N N 15 118.949 . . . . . . A 193 ILE N . 19108 1 1789 . 1 1 194 194 LEU H H 1 8.296 . . . . . . A 194 LEU H . 19108 1 1790 . 1 1 194 194 LEU HA H 1 4.273 . . . . . . A 194 LEU HA . 19108 1 1791 . 1 1 194 194 LEU HB2 H 1 1.586 . . . . . . A 194 LEU HB2 . 19108 1 1792 . 1 1 194 194 LEU HB3 H 1 1.878 . . . . . . A 194 LEU HB3 . 19108 1 1793 . 1 1 194 194 LEU HD11 H 1 0.959 . . . . . . A 194 LEU HD11 . 19108 1 1794 . 1 1 194 194 LEU HD12 H 1 0.959 . . . . . . A 194 LEU HD12 . 19108 1 1795 . 1 1 194 194 LEU HD13 H 1 0.959 . . . . . . A 194 LEU HD13 . 19108 1 1796 . 1 1 194 194 LEU HD21 H 1 0.725 . . . . . . A 194 LEU HD21 . 19108 1 1797 . 1 1 194 194 LEU HD22 H 1 0.725 . . . . . . A 194 LEU HD22 . 19108 1 1798 . 1 1 194 194 LEU HD23 H 1 0.725 . . . . . . A 194 LEU HD23 . 19108 1 1799 . 1 1 194 194 LEU CA C 13 55.713 . . . . . . A 194 LEU CA . 19108 1 1800 . 1 1 194 194 LEU CB C 13 40.471 . . . . . . A 194 LEU CB . 19108 1 1801 . 1 1 194 194 LEU CD1 C 13 26.082 . . . . . . A 194 LEU CD1 . 19108 1 1802 . 1 1 194 194 LEU CD2 C 13 22.252 . . . . . . A 194 LEU CD2 . 19108 1 1803 . 1 1 194 194 LEU N N 15 116.435 . . . . . . A 194 LEU N . 19108 1 1804 . 1 1 195 195 GLN H H 1 7.921 . . . . . . A 195 GLN H . 19108 1 1805 . 1 1 195 195 GLN HA H 1 4.335 . . . . . . A 195 GLN HA . 19108 1 1806 . 1 1 195 195 GLN HB3 H 1 2.193 . . . . . . A 195 GLN HB3 . 19108 1 1807 . 1 1 195 195 GLN HG3 H 1 2.468 . . . . . . A 195 GLN HG3 . 19108 1 1808 . 1 1 195 195 GLN HE21 H 1 7.526 . . . . . . A 195 GLN HE21 . 19108 1 1809 . 1 1 195 195 GLN HE22 H 1 6.860 . . . . . . A 195 GLN HE22 . 19108 1 1810 . 1 1 195 195 GLN CA C 13 56.417 . . . . . . A 195 GLN CA . 19108 1 1811 . 1 1 195 195 GLN CB C 13 28.598 . . . . . . A 195 GLN CB . 19108 1 1812 . 1 1 195 195 GLN CG C 13 34.134 . . . . . . A 195 GLN CG . 19108 1 1813 . 1 1 195 195 GLN N N 15 118.580 . . . . . . A 195 GLN N . 19108 1 1814 . 1 1 195 195 GLN NE2 N 15 111.785 . . . . . . A 195 GLN NE2 . 19108 1 1815 . 1 1 196 196 ASN H H 1 8.078 . . . . . . A 196 ASN H . 19108 1 1816 . 1 1 196 196 ASN HA H 1 4.702 . . . . . . A 196 ASN HA . 19108 1 1817 . 1 1 196 196 ASN HB2 H 1 2.820 . . . . . . A 196 ASN HB2 . 19108 1 1818 . 1 1 196 196 ASN HB3 H 1 2.883 . . . . . . A 196 ASN HB3 . 19108 1 1819 . 1 1 196 196 ASN HD21 H 1 7.629 . . . . . . A 196 ASN HD21 . 19108 1 1820 . 1 1 196 196 ASN HD22 H 1 6.927 . . . . . . A 196 ASN HD22 . 19108 1 1821 . 1 1 196 196 ASN CA C 13 53.450 . . . . . . A 196 ASN CA . 19108 1 1822 . 1 1 196 196 ASN CB C 13 38.825 . . . . . . A 196 ASN CB . 19108 1 1823 . 1 1 196 196 ASN N N 15 118.941 . . . . . . A 196 ASN N . 19108 1 1824 . 1 1 196 196 ASN ND2 N 15 112.870 . . . . . . A 196 ASN ND2 . 19108 1 1825 . 1 1 197 197 GLN H H 1 8.526 . . . . . . A 197 GLN H . 19108 1 1826 . 1 1 197 197 GLN HA H 1 4.356 . . . . . . A 197 GLN HA . 19108 1 1827 . 1 1 197 197 GLN HB2 H 1 1.993 . . . . . . A 197 GLN HB2 . 19108 1 1828 . 1 1 197 197 GLN HB3 H 1 2.185 . . . . . . A 197 GLN HB3 . 19108 1 1829 . 1 1 197 197 GLN HG3 H 1 2.389 . . . . . . A 197 GLN HG3 . 19108 1 1830 . 1 1 197 197 GLN HE21 H 1 7.517 . . . . . . A 197 GLN HE21 . 19108 1 1831 . 1 1 197 197 GLN HE22 H 1 6.862 . . . . . . A 197 GLN HE22 . 19108 1 1832 . 1 1 197 197 GLN CA C 13 56.166 . . . . . . A 197 GLN CA . 19108 1 1833 . 1 1 197 197 GLN CB C 13 29.496 . . . . . . A 197 GLN CB . 19108 1 1834 . 1 1 197 197 GLN CG C 13 33.897 . . . . . . A 197 GLN CG . 19108 1 1835 . 1 1 197 197 GLN N N 15 120.984 . . . . . . A 197 GLN N . 19108 1 1836 . 1 1 197 197 GLN NE2 N 15 112.143 . . . . . . A 197 GLN NE2 . 19108 1 1837 . 1 1 198 198 GLY H H 1 8.467 . . . . . . A 198 GLY H . 19108 1 1838 . 1 1 198 198 GLY HA2 H 1 3.936 . . . . . . A 198 GLY HA2 . 19108 1 1839 . 1 1 198 198 GLY HA3 H 1 3.961 . . . . . . A 198 GLY HA3 . 19108 1 1840 . 1 1 198 198 GLY CA C 13 45.384 . . . . . . A 198 GLY CA . 19108 1 1841 . 1 1 198 198 GLY N N 15 109.565 . . . . . . A 198 GLY N . 19108 1 1842 . 1 1 199 199 ASN H H 1 8.361 . . . . . . A 199 ASN H . 19108 1 1843 . 1 1 199 199 ASN HA H 1 4.725 . . . . . . A 199 ASN HA . 19108 1 1844 . 1 1 199 199 ASN HB2 H 1 2.754 . . . . . . A 199 ASN HB2 . 19108 1 1845 . 1 1 199 199 ASN HB3 H 1 2.828 . . . . . . A 199 ASN HB3 . 19108 1 1846 . 1 1 199 199 ASN HD21 H 1 7.607 . . . . . . A 199 ASN HD21 . 19108 1 1847 . 1 1 199 199 ASN HD22 H 1 6.941 . . . . . . A 199 ASN HD22 . 19108 1 1848 . 1 1 199 199 ASN CA C 13 53.359 . . . . . . A 199 ASN CA . 19108 1 1849 . 1 1 199 199 ASN CB C 13 38.907 . . . . . . A 199 ASN CB . 19108 1 1850 . 1 1 199 199 ASN N N 15 118.615 . . . . . . A 199 ASN N . 19108 1 1851 . 1 1 199 199 ASN ND2 N 15 112.888 . . . . . . A 199 ASN ND2 . 19108 1 stop_ save_