data_19768 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19768 _Entry.Title ; Resonance assignment and secondary structure determination of full length human Dickkopf 4 (hDkk4), a secreted, disulphide-rich Wnt inhibitor protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-02-05 _Entry.Accession_date 2014-02-05 _Entry.Last_release_date 2015-06-15 _Entry.Original_release_date 2015-06-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _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 Alice Barkell . M. . 19768 2 Gill Holdsworth . . . 19768 3 Lorna Waters . C. . 19768 4 Vaclav Veverka . . . 19768 5 Patrick Slocombe . M. . 19768 6 Frederick Muskett . W. . 19768 7 Alistair Henry . J. . 19768 8 Martyn Robinson . K. . 19768 9 Mark Carr . D. . 19768 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Carr Group, University of Leicester' . 19768 2 . 'UCB, Slough' . 19768 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19768 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 683 19768 '15N chemical shifts' 185 19768 '1H chemical shifts' 1014 19768 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-06-15 . original BMRB . 19768 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19768 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24816897 _Citation.Full_citation . _Citation.Title ; Resonance assignment and secondary structure determination of full length human Dickkopf 4 (hDkk4), a secreted, disulphide-rich Wnt inhibitor protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 1 _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 147 _Citation.Page_last 151 _Citation.Year 2015 _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 Alice Barkell . M. . 19768 1 2 Gill Holdsworth . . . 19768 1 3 Lorna Waters . C. . 19768 1 4 Frederick Muskett . W. . 19768 1 5 Vaclav Veverka . . . 19768 1 6 Patrick Slocombe . M. . 19768 1 7 Alistair Henry . J. . 19768 1 8 Martyn Robinson . K. . 19768 1 9 Mark Carr . D. . 19768 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Dickkopf 19768 1 Dkk 19768 1 'NMR resonance assignments' 19768 1 'Wnt signalling' 19768 1 'secondary structure' 19768 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19768 _Assembly.ID 1 _Assembly.Name hDkk4 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 hDkk4 1 $hDkk4 A . yes native no no . . . 19768 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hDkk4 _Entity.Sf_category entity _Entity.Sf_framecode hDkk4 _Entity.Entry_ID 19768 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hDkk4 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MLVLDFNNIRSSADLHGARK GSQCLSDTDCNTRKFCLQPR DEKPFCATCRGLRRRCQRDA MCCPGTLCVNDVCTTMEDAT PILERQLDEQDGTHAEGTTG HPVQENQPKRKPSIKKSQGR KGQEGESCLRTFDCGPGLCC ARHFWTKICKPVLLEGQVCS RRGHKDTAQAPEIFQRCDCG PGLLCRSQLTSNRQHARLRV CQKIEKLENLYFQSLEHHHH HH ; _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 222 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 DBJ BAA33438 . "hdkk-4 [Homo sapiens]" . . . . . 92.79 224 99.51 100.00 1.20e-145 . . . . 19768 1 2 no DBJ BAA33475 . "hdkk-4 [Homo sapiens]" . . . . . 92.79 224 100.00 100.00 3.12e-146 . . . . 19768 1 3 no DBJ BAG63095 . "unnamed protein product [Homo sapiens]" . . . . . 52.25 139 100.00 100.00 1.61e-76 . . . . 19768 1 4 no DBJ BAK63662 . "dickkopf-related protein 4 precursor [Pan troglodytes]" . . . . . 66.22 147 100.00 100.00 1.91e-100 . . . . 19768 1 5 no GB AAF02677 . "dickkopf-4 [Homo sapiens]" . . . . . 92.79 224 100.00 100.00 3.12e-146 . . . . 19768 1 6 no GB AAI07047 . "Dickkopf homolog 4 (Xenopus laevis) [Homo sapiens]" . . . . . 92.79 224 100.00 100.00 3.12e-146 . . . . 19768 1 7 no GB AAI07048 . "Dickkopf homolog 4 (Xenopus laevis) [Homo sapiens]" . . . . . 92.79 224 100.00 100.00 3.12e-146 . . . . 19768 1 8 no GB AIC51187 . "DKK4, partial [synthetic construct]" . . . . . 92.79 224 100.00 100.00 3.12e-146 . . . . 19768 1 9 no GB EAW63220 . "dickkopf homolog 4 (Xenopus laevis) [Homo sapiens]" . . . . . 92.79 224 100.00 100.00 3.12e-146 . . . . 19768 1 10 no REF NP_055235 . "dickkopf-related protein 4 precursor [Homo sapiens]" . . . . . 92.79 224 100.00 100.00 3.12e-146 . . . . 19768 1 11 no REF XP_001144036 . "PREDICTED: dickkopf-related protein 4 [Pan troglodytes]" . . . . . 92.79 224 99.51 100.00 3.06e-145 . . . . 19768 1 12 no REF XP_002819091 . "PREDICTED: dickkopf-related protein 4 [Pongo abelii]" . . . . . 92.79 224 99.51 99.51 3.81e-145 . . . . 19768 1 13 no REF XP_003269688 . "PREDICTED: dickkopf-related protein 4 [Nomascus leucogenys]" . . . . . 92.79 224 97.57 98.06 3.50e-142 . . . . 19768 1 14 no REF XP_003823332 . "PREDICTED: dickkopf-related protein 4 [Pan paniscus]" . . . . . 92.79 224 99.51 100.00 3.38e-145 . . . . 19768 1 15 no SP Q9UBT3 . "RecName: Full=Dickkopf-related protein 4; Short=Dickkopf-4; Short=Dkk-4; Short=hDkk-4; Contains: RecName: Full=Dickkopf-related" . . . . . 92.79 224 100.00 100.00 3.12e-146 . . . . 19768 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Secreted Wnt inhibitor protein' 19768 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 1 MET . 19768 1 2 2 LEU . 19768 1 3 3 VAL . 19768 1 4 4 LEU . 19768 1 5 5 ASP . 19768 1 6 6 PHE . 19768 1 7 7 ASN . 19768 1 8 8 ASN . 19768 1 9 9 ILE . 19768 1 10 10 ARG . 19768 1 11 11 SER . 19768 1 12 12 SER . 19768 1 13 13 ALA . 19768 1 14 14 ASP . 19768 1 15 15 LEU . 19768 1 16 16 HIS . 19768 1 17 17 GLY . 19768 1 18 18 ALA . 19768 1 19 19 ARG . 19768 1 20 20 LYS . 19768 1 21 21 GLY . 19768 1 22 22 SER . 19768 1 23 23 GLN . 19768 1 24 24 CYS . 19768 1 25 25 LEU . 19768 1 26 26 SER . 19768 1 27 27 ASP . 19768 1 28 28 THR . 19768 1 29 29 ASP . 19768 1 30 30 CYS . 19768 1 31 31 ASN . 19768 1 32 32 THR . 19768 1 33 33 ARG . 19768 1 34 34 LYS . 19768 1 35 35 PHE . 19768 1 36 36 CYS . 19768 1 37 37 LEU . 19768 1 38 38 GLN . 19768 1 39 39 PRO . 19768 1 40 40 ARG . 19768 1 41 41 ASP . 19768 1 42 42 GLU . 19768 1 43 43 LYS . 19768 1 44 44 PRO . 19768 1 45 45 PHE . 19768 1 46 46 CYS . 19768 1 47 47 ALA . 19768 1 48 48 THR . 19768 1 49 49 CYS . 19768 1 50 50 ARG . 19768 1 51 51 GLY . 19768 1 52 52 LEU . 19768 1 53 53 ARG . 19768 1 54 54 ARG . 19768 1 55 55 ARG . 19768 1 56 56 CYS . 19768 1 57 57 GLN . 19768 1 58 58 ARG . 19768 1 59 59 ASP . 19768 1 60 60 ALA . 19768 1 61 61 MET . 19768 1 62 62 CYS . 19768 1 63 63 CYS . 19768 1 64 64 PRO . 19768 1 65 65 GLY . 19768 1 66 66 THR . 19768 1 67 67 LEU . 19768 1 68 68 CYS . 19768 1 69 69 VAL . 19768 1 70 70 ASN . 19768 1 71 71 ASP . 19768 1 72 72 VAL . 19768 1 73 73 CYS . 19768 1 74 74 THR . 19768 1 75 75 THR . 19768 1 76 76 MET . 19768 1 77 77 GLU . 19768 1 78 78 ASP . 19768 1 79 79 ALA . 19768 1 80 80 THR . 19768 1 81 81 PRO . 19768 1 82 82 ILE . 19768 1 83 83 LEU . 19768 1 84 84 GLU . 19768 1 85 85 ARG . 19768 1 86 86 GLN . 19768 1 87 87 LEU . 19768 1 88 88 ASP . 19768 1 89 89 GLU . 19768 1 90 90 GLN . 19768 1 91 91 ASP . 19768 1 92 92 GLY . 19768 1 93 93 THR . 19768 1 94 94 HIS . 19768 1 95 95 ALA . 19768 1 96 96 GLU . 19768 1 97 97 GLY . 19768 1 98 98 THR . 19768 1 99 99 THR . 19768 1 100 100 GLY . 19768 1 101 101 HIS . 19768 1 102 102 PRO . 19768 1 103 103 VAL . 19768 1 104 104 GLN . 19768 1 105 105 GLU . 19768 1 106 106 ASN . 19768 1 107 107 GLN . 19768 1 108 108 PRO . 19768 1 109 109 LYS . 19768 1 110 110 ARG . 19768 1 111 111 LYS . 19768 1 112 112 PRO . 19768 1 113 113 SER . 19768 1 114 114 ILE . 19768 1 115 115 LYS . 19768 1 116 116 LYS . 19768 1 117 117 SER . 19768 1 118 118 GLN . 19768 1 119 119 GLY . 19768 1 120 120 ARG . 19768 1 121 121 LYS . 19768 1 122 122 GLY . 19768 1 123 123 GLN . 19768 1 124 124 GLU . 19768 1 125 125 GLY . 19768 1 126 126 GLU . 19768 1 127 127 SER . 19768 1 128 128 CYS . 19768 1 129 129 LEU . 19768 1 130 130 ARG . 19768 1 131 131 THR . 19768 1 132 132 PHE . 19768 1 133 133 ASP . 19768 1 134 134 CYS . 19768 1 135 135 GLY . 19768 1 136 136 PRO . 19768 1 137 137 GLY . 19768 1 138 138 LEU . 19768 1 139 139 CYS . 19768 1 140 140 CYS . 19768 1 141 141 ALA . 19768 1 142 142 ARG . 19768 1 143 143 HIS . 19768 1 144 144 PHE . 19768 1 145 145 TRP . 19768 1 146 146 THR . 19768 1 147 147 LYS . 19768 1 148 148 ILE . 19768 1 149 149 CYS . 19768 1 150 150 LYS . 19768 1 151 151 PRO . 19768 1 152 152 VAL . 19768 1 153 153 LEU . 19768 1 154 154 LEU . 19768 1 155 155 GLU . 19768 1 156 156 GLY . 19768 1 157 157 GLN . 19768 1 158 158 VAL . 19768 1 159 159 CYS . 19768 1 160 160 SER . 19768 1 161 161 ARG . 19768 1 162 162 ARG . 19768 1 163 163 GLY . 19768 1 164 164 HIS . 19768 1 165 165 LYS . 19768 1 166 166 ASP . 19768 1 167 167 THR . 19768 1 168 168 ALA . 19768 1 169 169 GLN . 19768 1 170 170 ALA . 19768 1 171 171 PRO . 19768 1 172 172 GLU . 19768 1 173 173 ILE . 19768 1 174 174 PHE . 19768 1 175 175 GLN . 19768 1 176 176 ARG . 19768 1 177 177 CYS . 19768 1 178 178 ASP . 19768 1 179 179 CYS . 19768 1 180 180 GLY . 19768 1 181 181 PRO . 19768 1 182 182 GLY . 19768 1 183 183 LEU . 19768 1 184 184 LEU . 19768 1 185 185 CYS . 19768 1 186 186 ARG . 19768 1 187 187 SER . 19768 1 188 188 GLN . 19768 1 189 189 LEU . 19768 1 190 190 THR . 19768 1 191 191 SER . 19768 1 192 192 ASN . 19768 1 193 193 ARG . 19768 1 194 194 GLN . 19768 1 195 195 HIS . 19768 1 196 196 ALA . 19768 1 197 197 ARG . 19768 1 198 198 LEU . 19768 1 199 199 ARG . 19768 1 200 200 VAL . 19768 1 201 201 CYS . 19768 1 202 202 GLN . 19768 1 203 203 LYS . 19768 1 204 204 ILE . 19768 1 205 205 GLU . 19768 1 206 206 LYS . 19768 1 207 207 LEU . 19768 1 208 208 GLU . 19768 1 209 209 ASN . 19768 1 210 210 LEU . 19768 1 211 211 TYR . 19768 1 212 212 PHE . 19768 1 213 213 GLN . 19768 1 214 214 SER . 19768 1 215 215 LEU . 19768 1 216 216 GLU . 19768 1 217 217 HIS . 19768 1 218 218 HIS . 19768 1 219 219 HIS . 19768 1 220 220 HIS . 19768 1 221 221 HIS . 19768 1 222 222 HIS . 19768 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 19768 1 . LEU 2 2 19768 1 . VAL 3 3 19768 1 . LEU 4 4 19768 1 . ASP 5 5 19768 1 . PHE 6 6 19768 1 . ASN 7 7 19768 1 . ASN 8 8 19768 1 . ILE 9 9 19768 1 . ARG 10 10 19768 1 . SER 11 11 19768 1 . SER 12 12 19768 1 . ALA 13 13 19768 1 . ASP 14 14 19768 1 . LEU 15 15 19768 1 . HIS 16 16 19768 1 . GLY 17 17 19768 1 . ALA 18 18 19768 1 . ARG 19 19 19768 1 . LYS 20 20 19768 1 . GLY 21 21 19768 1 . SER 22 22 19768 1 . GLN 23 23 19768 1 . CYS 24 24 19768 1 . LEU 25 25 19768 1 . SER 26 26 19768 1 . ASP 27 27 19768 1 . THR 28 28 19768 1 . ASP 29 29 19768 1 . CYS 30 30 19768 1 . ASN 31 31 19768 1 . THR 32 32 19768 1 . ARG 33 33 19768 1 . LYS 34 34 19768 1 . PHE 35 35 19768 1 . CYS 36 36 19768 1 . LEU 37 37 19768 1 . GLN 38 38 19768 1 . PRO 39 39 19768 1 . ARG 40 40 19768 1 . ASP 41 41 19768 1 . GLU 42 42 19768 1 . LYS 43 43 19768 1 . PRO 44 44 19768 1 . PHE 45 45 19768 1 . CYS 46 46 19768 1 . ALA 47 47 19768 1 . THR 48 48 19768 1 . CYS 49 49 19768 1 . ARG 50 50 19768 1 . GLY 51 51 19768 1 . LEU 52 52 19768 1 . ARG 53 53 19768 1 . ARG 54 54 19768 1 . ARG 55 55 19768 1 . CYS 56 56 19768 1 . GLN 57 57 19768 1 . ARG 58 58 19768 1 . ASP 59 59 19768 1 . ALA 60 60 19768 1 . MET 61 61 19768 1 . CYS 62 62 19768 1 . CYS 63 63 19768 1 . PRO 64 64 19768 1 . GLY 65 65 19768 1 . THR 66 66 19768 1 . LEU 67 67 19768 1 . CYS 68 68 19768 1 . VAL 69 69 19768 1 . ASN 70 70 19768 1 . ASP 71 71 19768 1 . VAL 72 72 19768 1 . CYS 73 73 19768 1 . THR 74 74 19768 1 . THR 75 75 19768 1 . MET 76 76 19768 1 . GLU 77 77 19768 1 . ASP 78 78 19768 1 . ALA 79 79 19768 1 . THR 80 80 19768 1 . PRO 81 81 19768 1 . ILE 82 82 19768 1 . LEU 83 83 19768 1 . GLU 84 84 19768 1 . ARG 85 85 19768 1 . GLN 86 86 19768 1 . LEU 87 87 19768 1 . ASP 88 88 19768 1 . GLU 89 89 19768 1 . GLN 90 90 19768 1 . ASP 91 91 19768 1 . GLY 92 92 19768 1 . THR 93 93 19768 1 . HIS 94 94 19768 1 . ALA 95 95 19768 1 . GLU 96 96 19768 1 . GLY 97 97 19768 1 . THR 98 98 19768 1 . THR 99 99 19768 1 . GLY 100 100 19768 1 . HIS 101 101 19768 1 . PRO 102 102 19768 1 . VAL 103 103 19768 1 . GLN 104 104 19768 1 . GLU 105 105 19768 1 . ASN 106 106 19768 1 . GLN 107 107 19768 1 . PRO 108 108 19768 1 . LYS 109 109 19768 1 . ARG 110 110 19768 1 . LYS 111 111 19768 1 . PRO 112 112 19768 1 . SER 113 113 19768 1 . ILE 114 114 19768 1 . LYS 115 115 19768 1 . LYS 116 116 19768 1 . SER 117 117 19768 1 . GLN 118 118 19768 1 . GLY 119 119 19768 1 . ARG 120 120 19768 1 . LYS 121 121 19768 1 . GLY 122 122 19768 1 . GLN 123 123 19768 1 . GLU 124 124 19768 1 . GLY 125 125 19768 1 . GLU 126 126 19768 1 . SER 127 127 19768 1 . CYS 128 128 19768 1 . LEU 129 129 19768 1 . ARG 130 130 19768 1 . THR 131 131 19768 1 . PHE 132 132 19768 1 . ASP 133 133 19768 1 . CYS 134 134 19768 1 . GLY 135 135 19768 1 . PRO 136 136 19768 1 . GLY 137 137 19768 1 . LEU 138 138 19768 1 . CYS 139 139 19768 1 . CYS 140 140 19768 1 . ALA 141 141 19768 1 . ARG 142 142 19768 1 . HIS 143 143 19768 1 . PHE 144 144 19768 1 . TRP 145 145 19768 1 . THR 146 146 19768 1 . LYS 147 147 19768 1 . ILE 148 148 19768 1 . CYS 149 149 19768 1 . LYS 150 150 19768 1 . PRO 151 151 19768 1 . VAL 152 152 19768 1 . LEU 153 153 19768 1 . LEU 154 154 19768 1 . GLU 155 155 19768 1 . GLY 156 156 19768 1 . GLN 157 157 19768 1 . VAL 158 158 19768 1 . CYS 159 159 19768 1 . SER 160 160 19768 1 . ARG 161 161 19768 1 . ARG 162 162 19768 1 . GLY 163 163 19768 1 . HIS 164 164 19768 1 . LYS 165 165 19768 1 . ASP 166 166 19768 1 . THR 167 167 19768 1 . ALA 168 168 19768 1 . GLN 169 169 19768 1 . ALA 170 170 19768 1 . PRO 171 171 19768 1 . GLU 172 172 19768 1 . ILE 173 173 19768 1 . PHE 174 174 19768 1 . GLN 175 175 19768 1 . ARG 176 176 19768 1 . CYS 177 177 19768 1 . ASP 178 178 19768 1 . CYS 179 179 19768 1 . GLY 180 180 19768 1 . PRO 181 181 19768 1 . GLY 182 182 19768 1 . LEU 183 183 19768 1 . LEU 184 184 19768 1 . CYS 185 185 19768 1 . ARG 186 186 19768 1 . SER 187 187 19768 1 . GLN 188 188 19768 1 . LEU 189 189 19768 1 . THR 190 190 19768 1 . SER 191 191 19768 1 . ASN 192 192 19768 1 . ARG 193 193 19768 1 . GLN 194 194 19768 1 . HIS 195 195 19768 1 . ALA 196 196 19768 1 . ARG 197 197 19768 1 . LEU 198 198 19768 1 . ARG 199 199 19768 1 . VAL 200 200 19768 1 . CYS 201 201 19768 1 . GLN 202 202 19768 1 . LYS 203 203 19768 1 . ILE 204 204 19768 1 . GLU 205 205 19768 1 . LYS 206 206 19768 1 . LEU 207 207 19768 1 . GLU 208 208 19768 1 . ASN 209 209 19768 1 . LEU 210 210 19768 1 . TYR 211 211 19768 1 . PHE 212 212 19768 1 . GLN 213 213 19768 1 . SER 214 214 19768 1 . LEU 215 215 19768 1 . GLU 216 216 19768 1 . HIS 217 217 19768 1 . HIS 218 218 19768 1 . HIS 219 219 19768 1 . HIS 220 220 19768 1 . HIS 221 221 19768 1 . HIS 222 222 19768 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19768 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $hDkk4 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 19768 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 19768 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $hDkk4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pLEICS05 . . 'Derived from pET-21a(+)' 19768 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19768 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 hDkk4 '[U-99% 15N]' . . 1 $hDkk4 . . . 200 250 uM . . . . 19768 1 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19768 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19768 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hDkk4 '[U-99% 15N]' . . 1 $hDkk4 . . . 150 300 uM . . . . 19768 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19768 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19768 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19768 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hDkk4 '[U-99% 13C; U-99% 15N]' . . 1 $hDkk4 . . . 200 300 uM . . . . 19768 3 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19768 3 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19768 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 19768 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 hDkk4 '[U-99% 13C]' . . 1 $hDkk4 . . . 150 250 uM . . . . 19768 4 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19768 4 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 19768 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.5 . pH 19768 1 pressure 1 . atm 19768 1 temperature 308 . K 19768 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19768 _Software.ID 1 _Software.Name TOPSPIN _Software.Version v3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19768 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19768 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19768 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19768 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19768 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19768 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19768 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19768 3 'peak picking' 19768 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19768 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19768 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19768 _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 DRX . 600 . . . 19768 1 2 spectrometer_2 Bruker Avance . 800 . . . 19768 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 19768 _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-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19768 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19768 1 3 '2D 1H-15N TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19768 1 4 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19768 1 5 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19768 1 6 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19768 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19768 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19768 1 9 '3D 1H-13C NOESY-HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19768 1 10 '3D 1H-15N TOCSY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19768 1 11 '3D 1H-15N NOESY-TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19768 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19768 _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 na indirect 0.251449530 . . . . . . . . . 19768 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.00 . . . . . . . . . 19768 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 19768 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 19768 _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-1H TOCSY' . . . 19768 1 2 '2D 1H-1H NOESY' . . . 19768 1 3 '2D 1H-15N TROSY' . . . 19768 1 4 '3D HNCA' . . . 19768 1 5 '3D HNCACB' . . . 19768 1 6 '3D HNCO' . . . 19768 1 7 '3D CBCA(CO)NH' . . . 19768 1 8 '3D HCCH-TOCSY' . . . 19768 1 9 '3D 1H-13C NOESY-HSQC' . . . 19768 1 10 '3D 1H-15N TOCSY-HSQC' . . . 19768 1 11 '3D 1H-15N NOESY-TROSY' . . . 19768 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LEU C C 13 176.285 0.400 . 1 . . . . 2 LEU C . 19768 1 2 . 1 1 2 2 LEU CA C 13 55.178 0.400 . 1 . . . . 2 LEU CA . 19768 1 3 . 1 1 2 2 LEU CB C 13 42.441 0.400 . 1 . . . . 2 LEU CB . 19768 1 4 . 1 1 3 3 VAL H H 1 8.155 0.020 . 1 . . . . 3 VAL H . 19768 1 5 . 1 1 3 3 VAL HA H 1 3.958 0.020 . 1 . . . . 3 VAL HA . 19768 1 6 . 1 1 3 3 VAL HB H 1 1.899 0.020 . 1 . . . . 3 VAL HB . 19768 1 7 . 1 1 3 3 VAL HG11 H 1 0.776 0.020 . 2 . . . . 3 VAL HG1 . 19768 1 8 . 1 1 3 3 VAL HG12 H 1 0.776 0.020 . 2 . . . . 3 VAL HG1 . 19768 1 9 . 1 1 3 3 VAL HG13 H 1 0.776 0.020 . 2 . . . . 3 VAL HG1 . 19768 1 10 . 1 1 3 3 VAL C C 13 175.626 0.400 . 1 . . . . 3 VAL C . 19768 1 11 . 1 1 3 3 VAL CA C 13 62.136 0.400 . 1 . . . . 3 VAL CA . 19768 1 12 . 1 1 3 3 VAL CB C 13 32.589 0.400 . 1 . . . . 3 VAL CB . 19768 1 13 . 1 1 3 3 VAL CG1 C 13 20.969 0.400 . 1 . . . . 3 VAL CG1 . 19768 1 14 . 1 1 3 3 VAL N N 15 123.788 0.400 . 1 . . . . 3 VAL N . 19768 1 15 . 1 1 4 4 LEU H H 1 8.112 0.020 . 1 . . . . 4 LEU H . 19768 1 16 . 1 1 4 4 LEU HA H 1 4.211 0.020 . 1 . . . . 4 LEU HA . 19768 1 17 . 1 1 4 4 LEU HB2 H 1 1.435 0.020 . 2 . . . . 4 LEU HB2 . 19768 1 18 . 1 1 4 4 LEU HB3 H 1 1.292 0.020 . 2 . . . . 4 LEU HB3 . 19768 1 19 . 1 1 4 4 LEU HG H 1 1.424 0.020 . 1 . . . . 4 LEU HG . 19768 1 20 . 1 1 4 4 LEU HD11 H 1 0.767 0.020 . 2 . . . . 4 LEU HD1 . 19768 1 21 . 1 1 4 4 LEU HD12 H 1 0.767 0.020 . 2 . . . . 4 LEU HD1 . 19768 1 22 . 1 1 4 4 LEU HD13 H 1 0.767 0.020 . 2 . . . . 4 LEU HD1 . 19768 1 23 . 1 1 4 4 LEU HD21 H 1 0.703 0.020 . 2 . . . . 4 LEU HD2 . 19768 1 24 . 1 1 4 4 LEU HD22 H 1 0.703 0.020 . 2 . . . . 4 LEU HD2 . 19768 1 25 . 1 1 4 4 LEU HD23 H 1 0.703 0.020 . 2 . . . . 4 LEU HD2 . 19768 1 26 . 1 1 4 4 LEU C C 13 176.372 0.400 . 1 . . . . 4 LEU C . 19768 1 27 . 1 1 4 4 LEU CA C 13 54.639 0.400 . 1 . . . . 4 LEU CA . 19768 1 28 . 1 1 4 4 LEU CB C 13 42.317 0.400 . 1 . . . . 4 LEU CB . 19768 1 29 . 1 1 4 4 LEU CG C 13 26.994 0.400 . 1 . . . . 4 LEU CG . 19768 1 30 . 1 1 4 4 LEU CD1 C 13 24.944 0.400 . 1 . . . . 4 LEU CD1 . 19768 1 31 . 1 1 4 4 LEU N N 15 126.663 0.400 . 1 . . . . 4 LEU N . 19768 1 32 . 1 1 5 5 ASP H H 1 7.987 0.020 . 1 . . . . 5 ASP H . 19768 1 33 . 1 1 5 5 ASP HA H 1 4.463 0.020 . 1 . . . . 5 ASP HA . 19768 1 34 . 1 1 5 5 ASP HB2 H 1 2.557 0.020 . 2 . . . . 5 ASP HB2 . 19768 1 35 . 1 1 5 5 ASP HB3 H 1 2.431 0.020 . 2 . . . . 5 ASP HB3 . 19768 1 36 . 1 1 5 5 ASP C C 13 174.761 0.400 . 1 . . . . 5 ASP C . 19768 1 37 . 1 1 5 5 ASP CA C 13 53.626 0.400 . 1 . . . . 5 ASP CA . 19768 1 38 . 1 1 5 5 ASP CB C 13 41.264 0.400 . 1 . . . . 5 ASP CB . 19768 1 39 . 1 1 5 5 ASP N N 15 121.219 0.400 . 1 . . . . 5 ASP N . 19768 1 40 . 1 1 6 6 PHE H H 1 8.043 0.020 . 1 . . . . 6 PHE H . 19768 1 41 . 1 1 6 6 PHE HA H 1 4.383 0.020 . 1 . . . . 6 PHE HA . 19768 1 42 . 1 1 6 6 PHE HB2 H 1 3.046 0.020 . 2 . . . . 6 PHE HB2 . 19768 1 43 . 1 1 6 6 PHE HB3 H 1 2.908 0.020 . 2 . . . . 6 PHE HB3 . 19768 1 44 . 1 1 6 6 PHE HD1 H 1 7.123 0.020 . 1 . . . . 6 PHE HD1 . 19768 1 45 . 1 1 6 6 PHE HD2 H 1 7.123 0.020 . 1 . . . . 6 PHE HD2 . 19768 1 46 . 1 1 6 6 PHE HE1 H 1 7.227 0.020 . 1 . . . . 6 PHE HE1 . 19768 1 47 . 1 1 6 6 PHE HE2 H 1 7.227 0.020 . 1 . . . . 6 PHE HE2 . 19768 1 48 . 1 1 6 6 PHE HZ H 1 7.181 0.020 . 1 . . . . 6 PHE HZ . 19768 1 49 . 1 1 6 6 PHE C C 13 175.897 0.400 . 1 . . . . 6 PHE C . 19768 1 50 . 1 1 6 6 PHE CA C 13 58.215 0.400 . 1 . . . . 6 PHE CA . 19768 1 51 . 1 1 6 6 PHE CB C 13 39.033 0.400 . 1 . . . . 6 PHE CB . 19768 1 52 . 1 1 6 6 PHE N N 15 121.201 0.400 . 1 . . . . 6 PHE N . 19768 1 53 . 1 1 7 7 ASN H H 1 8.244 0.020 . 1 . . . . 7 ASN H . 19768 1 54 . 1 1 7 7 ASN HA H 1 4.505 0.020 . 1 . . . . 7 ASN HA . 19768 1 55 . 1 1 7 7 ASN HB2 H 1 2.635 0.020 . 2 . . . . 7 ASN HB2 . 19768 1 56 . 1 1 7 7 ASN HB3 H 1 2.635 0.020 . 2 . . . . 7 ASN HB3 . 19768 1 57 . 1 1 7 7 ASN C C 13 175.034 0.400 . 1 . . . . 7 ASN C . 19768 1 58 . 1 1 7 7 ASN CA C 13 53.714 0.400 . 1 . . . . 7 ASN CA . 19768 1 59 . 1 1 7 7 ASN CB C 13 38.737 0.400 . 1 . . . . 7 ASN CB . 19768 1 60 . 1 1 7 7 ASN N N 15 119.090 0.400 . 1 . . . . 7 ASN N . 19768 1 61 . 1 1 8 8 ASN H H 1 8.016 0.020 . 1 . . . . 8 ASN H . 19768 1 62 . 1 1 8 8 ASN HA H 1 4.564 0.020 . 1 . . . . 8 ASN HA . 19768 1 63 . 1 1 8 8 ASN HB2 H 1 2.718 0.020 . 2 . . . . 8 ASN HB2 . 19768 1 64 . 1 1 8 8 ASN HB3 H 1 2.610 0.020 . 2 . . . . 8 ASN HB3 . 19768 1 65 . 1 1 8 8 ASN C C 13 175.092 0.400 . 1 . . . . 8 ASN C . 19768 1 66 . 1 1 8 8 ASN CA C 13 53.279 0.400 . 1 . . . . 8 ASN CA . 19768 1 67 . 1 1 8 8 ASN CB C 13 38.629 0.400 . 1 . . . . 8 ASN CB . 19768 1 68 . 1 1 8 8 ASN N N 15 118.689 0.400 . 1 . . . . 8 ASN N . 19768 1 69 . 1 1 9 9 ILE H H 1 7.799 0.020 . 1 . . . . 9 ILE H . 19768 1 70 . 1 1 9 9 ILE HA H 1 4.021 0.020 . 1 . . . . 9 ILE HA . 19768 1 71 . 1 1 9 9 ILE HB H 1 1.767 0.020 . 1 . . . . 9 ILE HB . 19768 1 72 . 1 1 9 9 ILE HG12 H 1 1.340 0.020 . 2 . . . . 9 ILE HG12 . 19768 1 73 . 1 1 9 9 ILE HG13 H 1 1.074 0.020 . 2 . . . . 9 ILE HG13 . 19768 1 74 . 1 1 9 9 ILE HG21 H 1 0.780 0.020 . 1 . . . . 9 ILE HG2 . 19768 1 75 . 1 1 9 9 ILE HG22 H 1 0.780 0.020 . 1 . . . . 9 ILE HG2 . 19768 1 76 . 1 1 9 9 ILE HG23 H 1 0.780 0.020 . 1 . . . . 9 ILE HG2 . 19768 1 77 . 1 1 9 9 ILE HD11 H 1 0.732 0.020 . 1 . . . . 9 ILE HD1 . 19768 1 78 . 1 1 9 9 ILE HD12 H 1 0.732 0.020 . 1 . . . . 9 ILE HD1 . 19768 1 79 . 1 1 9 9 ILE HD13 H 1 0.732 0.020 . 1 . . . . 9 ILE HD1 . 19768 1 80 . 1 1 9 9 ILE C C 13 176.342 0.400 . 1 . . . . 9 ILE C . 19768 1 81 . 1 1 9 9 ILE CA C 13 61.457 0.400 . 1 . . . . 9 ILE CA . 19768 1 82 . 1 1 9 9 ILE CB C 13 38.269 0.400 . 1 . . . . 9 ILE CB . 19768 1 83 . 1 1 9 9 ILE CG1 C 13 27.221 0.400 . 1 . . . . 9 ILE CG1 . 19768 1 84 . 1 1 9 9 ILE CG2 C 13 17.393 0.400 . 1 . . . . 9 ILE CG2 . 19768 1 85 . 1 1 9 9 ILE CD1 C 13 12.830 0.400 . 1 . . . . 9 ILE CD1 . 19768 1 86 . 1 1 9 9 ILE N N 15 120.663 0.400 . 1 . . . . 9 ILE N . 19768 1 87 . 1 1 10 10 ARG H H 1 8.210 0.020 . 1 . . . . 10 ARG H . 19768 1 88 . 1 1 10 10 ARG HA H 1 4.254 0.020 . 1 . . . . 10 ARG HA . 19768 1 89 . 1 1 10 10 ARG HB2 H 1 1.761 0.020 . 2 . . . . 10 ARG HB2 . 19768 1 90 . 1 1 10 10 ARG HB3 H 1 1.657 0.020 . 2 . . . . 10 ARG HB3 . 19768 1 91 . 1 1 10 10 ARG HG2 H 1 1.505 0.020 . 2 . . . . 10 ARG HG2 . 19768 1 92 . 1 1 10 10 ARG HG3 H 1 1.505 0.020 . 2 . . . . 10 ARG HG3 . 19768 1 93 . 1 1 10 10 ARG HD2 H 1 3.074 0.020 . 2 . . . . 10 ARG HD2 . 19768 1 94 . 1 1 10 10 ARG HD3 H 1 3.074 0.020 . 2 . . . . 10 ARG HD3 . 19768 1 95 . 1 1 10 10 ARG C C 13 176.343 0.400 . 1 . . . . 10 ARG C . 19768 1 96 . 1 1 10 10 ARG CA C 13 56.059 0.400 . 1 . . . . 10 ARG CA . 19768 1 97 . 1 1 10 10 ARG CB C 13 30.639 0.400 . 1 . . . . 10 ARG CB . 19768 1 98 . 1 1 10 10 ARG CG C 13 27.221 0.400 . 1 . . . . 10 ARG CG . 19768 1 99 . 1 1 10 10 ARG CD C 13 43.221 0.400 . 1 . . . . 10 ARG CD . 19768 1 100 . 1 1 10 10 ARG N N 15 124.447 0.400 . 1 . . . . 10 ARG N . 19768 1 101 . 1 1 11 11 SER H H 1 8.165 0.020 . 1 . . . . 11 SER H . 19768 1 102 . 1 1 11 11 SER HA H 1 4.364 0.020 . 1 . . . . 11 SER HA . 19768 1 103 . 1 1 11 11 SER HB2 H 1 3.776 0.020 . 2 . . . . 11 SER HB2 . 19768 1 104 . 1 1 11 11 SER HB3 H 1 3.776 0.020 . 2 . . . . 11 SER HB3 . 19768 1 105 . 1 1 11 11 SER C C 13 174.860 0.400 . 1 . . . . 11 SER C . 19768 1 106 . 1 1 11 11 SER CA C 13 58.166 0.400 . 1 . . . . 11 SER CA . 19768 1 107 . 1 1 11 11 SER CB C 13 63.851 0.400 . 1 . . . . 11 SER CB . 19768 1 108 . 1 1 11 11 SER N N 15 116.878 0.400 . 1 . . . . 11 SER N . 19768 1 109 . 1 1 12 12 SER H H 1 8.234 0.020 . 1 . . . . 12 SER H . 19768 1 110 . 1 1 12 12 SER HA H 1 4.281 0.020 . 1 . . . . 12 SER HA . 19768 1 111 . 1 1 12 12 SER HB2 H 1 3.784 0.020 . 2 . . . . 12 SER HB2 . 19768 1 112 . 1 1 12 12 SER HB3 H 1 3.784 0.020 . 2 . . . . 12 SER HB3 . 19768 1 113 . 1 1 12 12 SER C C 13 174.660 0.400 . 1 . . . . 12 SER C . 19768 1 114 . 1 1 12 12 SER CA C 13 58.759 0.400 . 1 . . . . 12 SER CA . 19768 1 115 . 1 1 12 12 SER CB C 13 63.596 0.400 . 1 . . . . 12 SER CB . 19768 1 116 . 1 1 12 12 SER N N 15 118.091 0.400 . 1 . . . . 12 SER N . 19768 1 117 . 1 1 13 13 ALA H H 1 8.098 0.020 . 1 . . . . 13 ALA H . 19768 1 118 . 1 1 13 13 ALA HA H 1 4.150 0.020 . 1 . . . . 13 ALA HA . 19768 1 119 . 1 1 13 13 ALA HB1 H 1 1.263 0.020 . 1 . . . . 13 ALA HB . 19768 1 120 . 1 1 13 13 ALA HB2 H 1 1.263 0.020 . 1 . . . . 13 ALA HB . 19768 1 121 . 1 1 13 13 ALA HB3 H 1 1.263 0.020 . 1 . . . . 13 ALA HB . 19768 1 122 . 1 1 13 13 ALA C C 13 177.624 0.400 . 1 . . . . 13 ALA C . 19768 1 123 . 1 1 13 13 ALA CA C 13 52.874 0.400 . 1 . . . . 13 ALA CA . 19768 1 124 . 1 1 13 13 ALA CB C 13 19.034 0.400 . 1 . . . . 13 ALA CB . 19768 1 125 . 1 1 13 13 ALA N N 15 125.561 0.400 . 1 . . . . 13 ALA N . 19768 1 126 . 1 1 14 14 ASP H H 1 7.970 0.020 . 1 . . . . 14 ASP H . 19768 1 127 . 1 1 14 14 ASP HA H 1 4.452 0.020 . 1 . . . . 14 ASP HA . 19768 1 128 . 1 1 14 14 ASP HB2 H 1 2.599 0.020 . 2 . . . . 14 ASP HB2 . 19768 1 129 . 1 1 14 14 ASP HB3 H 1 2.503 0.020 . 2 . . . . 14 ASP HB3 . 19768 1 130 . 1 1 14 14 ASP C C 13 176.493 0.400 . 1 . . . . 14 ASP C . 19768 1 131 . 1 1 14 14 ASP CA C 13 54.271 0.400 . 1 . . . . 14 ASP CA . 19768 1 132 . 1 1 14 14 ASP CB C 13 41.064 0.400 . 1 . . . . 14 ASP CB . 19768 1 133 . 1 1 14 14 ASP N N 15 118.917 0.400 . 1 . . . . 14 ASP N . 19768 1 134 . 1 1 15 15 LEU H H 1 7.859 0.020 . 1 . . . . 15 LEU H . 19768 1 135 . 1 1 15 15 LEU HA H 1 4.114 0.020 . 1 . . . . 15 LEU HA . 19768 1 136 . 1 1 15 15 LEU HB2 H 1 1.427 0.020 . 2 . . . . 15 LEU HB2 . 19768 1 137 . 1 1 15 15 LEU HB3 H 1 1.427 0.020 . 2 . . . . 15 LEU HB3 . 19768 1 138 . 1 1 15 15 LEU HG H 1 1.429 0.020 . 1 . . . . 15 LEU HG . 19768 1 139 . 1 1 15 15 LEU HD11 H 1 0.741 0.020 . 2 . . . . 15 LEU HD1 . 19768 1 140 . 1 1 15 15 LEU HD12 H 1 0.741 0.020 . 2 . . . . 15 LEU HD1 . 19768 1 141 . 1 1 15 15 LEU HD13 H 1 0.741 0.020 . 2 . . . . 15 LEU HD1 . 19768 1 142 . 1 1 15 15 LEU HD21 H 1 0.691 0.020 . 2 . . . . 15 LEU HD2 . 19768 1 143 . 1 1 15 15 LEU HD22 H 1 0.691 0.020 . 2 . . . . 15 LEU HD2 . 19768 1 144 . 1 1 15 15 LEU HD23 H 1 0.691 0.020 . 2 . . . . 15 LEU HD2 . 19768 1 145 . 1 1 15 15 LEU C C 13 177.576 0.400 . 1 . . . . 15 LEU C . 19768 1 146 . 1 1 15 15 LEU CA C 13 55.504 0.400 . 1 . . . . 15 LEU CA . 19768 1 147 . 1 1 15 15 LEU CB C 13 41.859 0.400 . 1 . . . . 15 LEU CB . 19768 1 148 . 1 1 15 15 LEU CG C 13 26.364 0.400 . 1 . . . . 15 LEU CG . 19768 1 149 . 1 1 15 15 LEU N N 15 122.285 0.400 . 1 . . . . 15 LEU N . 19768 1 150 . 1 1 16 16 HIS H H 1 8.145 0.020 . 1 . . . . 16 HIS H . 19768 1 151 . 1 1 16 16 HIS HA H 1 4.568 0.020 . 1 . . . . 16 HIS HA . 19768 1 152 . 1 1 16 16 HIS HB2 H 1 3.151 0.020 . 2 . . . . 16 HIS HB2 . 19768 1 153 . 1 1 16 16 HIS HB3 H 1 3.047 0.020 . 2 . . . . 16 HIS HB3 . 19768 1 154 . 1 1 16 16 HIS C C 13 175.745 0.400 . 1 . . . . 16 HIS C . 19768 1 155 . 1 1 16 16 HIS CA C 13 56.117 0.400 . 1 . . . . 16 HIS CA . 19768 1 156 . 1 1 16 16 HIS CB C 13 29.579 0.400 . 1 . . . . 16 HIS CB . 19768 1 157 . 1 1 16 16 HIS N N 15 118.388 0.400 . 1 . . . . 16 HIS N . 19768 1 158 . 1 1 17 17 GLY H H 1 8.116 0.020 . 1 . . . . 17 GLY H . 19768 1 159 . 1 1 17 17 GLY HA2 H 1 3.811 0.020 . 2 . . . . 17 GLY HA2 . 19768 1 160 . 1 1 17 17 GLY HA3 H 1 3.811 0.020 . 2 . . . . 17 GLY HA3 . 19768 1 161 . 1 1 17 17 GLY C C 13 173.983 0.400 . 1 . . . . 17 GLY C . 19768 1 162 . 1 1 17 17 GLY CA C 13 45.393 0.400 . 1 . . . . 17 GLY CA . 19768 1 163 . 1 1 17 17 GLY N N 15 109.539 0.400 . 1 . . . . 17 GLY N . 19768 1 164 . 1 1 18 18 ALA H H 1 7.978 0.020 . 1 . . . . 18 ALA H . 19768 1 165 . 1 1 18 18 ALA HA H 1 4.175 0.020 . 1 . . . . 18 ALA HA . 19768 1 166 . 1 1 18 18 ALA HB1 H 1 1.262 0.020 . 1 . . . . 18 ALA HB . 19768 1 167 . 1 1 18 18 ALA HB2 H 1 1.262 0.020 . 1 . . . . 18 ALA HB . 19768 1 168 . 1 1 18 18 ALA HB3 H 1 1.262 0.020 . 1 . . . . 18 ALA HB . 19768 1 169 . 1 1 18 18 ALA C C 13 177.404 0.400 . 1 . . . . 18 ALA C . 19768 1 170 . 1 1 18 18 ALA CA C 13 52.484 0.400 . 1 . . . . 18 ALA CA . 19768 1 171 . 1 1 18 18 ALA CB C 13 19.315 0.400 . 1 . . . . 18 ALA CB . 19768 1 172 . 1 1 18 18 ALA N N 15 123.797 0.400 . 1 . . . . 18 ALA N . 19768 1 173 . 1 1 19 19 ARG H H 1 8.271 0.020 . 1 . . . . 19 ARG H . 19768 1 174 . 1 1 19 19 ARG HA H 1 4.248 0.020 . 1 . . . . 19 ARG HA . 19768 1 175 . 1 1 19 19 ARG HB2 H 1 1.774 0.020 . 2 . . . . 19 ARG HB2 . 19768 1 176 . 1 1 19 19 ARG HB3 H 1 1.670 0.020 . 2 . . . . 19 ARG HB3 . 19768 1 177 . 1 1 19 19 ARG HG2 H 1 1.515 0.020 . 2 . . . . 19 ARG HG2 . 19768 1 178 . 1 1 19 19 ARG HG3 H 1 1.515 0.020 . 2 . . . . 19 ARG HG3 . 19768 1 179 . 1 1 19 19 ARG HD2 H 1 3.067 0.020 . 2 . . . . 19 ARG HD2 . 19768 1 180 . 1 1 19 19 ARG HD3 H 1 3.067 0.020 . 2 . . . . 19 ARG HD3 . 19768 1 181 . 1 1 19 19 ARG CA C 13 56.169 0.400 . 1 . . . . 19 ARG CA . 19768 1 182 . 1 1 19 19 ARG CB C 13 30.464 0.400 . 1 . . . . 19 ARG CB . 19768 1 183 . 1 1 19 19 ARG CG C 13 27.560 0.400 . 1 . . . . 19 ARG CG . 19768 1 184 . 1 1 19 19 ARG CD C 13 43.066 0.400 . 1 . . . . 19 ARG CD . 19768 1 185 . 1 1 19 19 ARG N N 15 119.685 0.400 . 1 . . . . 19 ARG N . 19768 1 186 . 1 1 20 20 LYS C C 13 176.849 0.400 . 1 . . . . 20 LYS C . 19768 1 187 . 1 1 20 20 LYS CA C 13 56.538 0.400 . 1 . . . . 20 LYS CA . 19768 1 188 . 1 1 20 20 LYS CB C 13 32.753 0.400 . 1 . . . . 20 LYS CB . 19768 1 189 . 1 1 21 21 GLY H H 1 7.983 0.020 . 1 . . . . 21 GLY H . 19768 1 190 . 1 1 21 21 GLY HA2 H 1 3.953 0.020 . 2 . . . . 21 GLY HA2 . 19768 1 191 . 1 1 21 21 GLY HA3 H 1 3.953 0.020 . 2 . . . . 21 GLY HA3 . 19768 1 192 . 1 1 21 21 GLY C C 13 173.616 0.400 . 1 . . . . 21 GLY C . 19768 1 193 . 1 1 21 21 GLY CA C 13 45.041 0.400 . 1 . . . . 21 GLY CA . 19768 1 194 . 1 1 21 21 GLY N N 15 109.545 0.400 . 1 . . . . 21 GLY N . 19768 1 195 . 1 1 22 22 SER H H 1 8.186 0.020 . 1 . . . . 22 SER H . 19768 1 196 . 1 1 22 22 SER HA H 1 4.359 0.020 . 1 . . . . 22 SER HA . 19768 1 197 . 1 1 22 22 SER HB2 H 1 3.780 0.020 . 2 . . . . 22 SER HB2 . 19768 1 198 . 1 1 22 22 SER HB3 H 1 3.780 0.020 . 2 . . . . 22 SER HB3 . 19768 1 199 . 1 1 22 22 SER C C 13 173.954 0.400 . 1 . . . . 22 SER C . 19768 1 200 . 1 1 22 22 SER CA C 13 58.342 0.400 . 1 . . . . 22 SER CA . 19768 1 201 . 1 1 22 22 SER CB C 13 64.123 0.400 . 1 . . . . 22 SER CB . 19768 1 202 . 1 1 22 22 SER N N 15 116.038 0.400 . 1 . . . . 22 SER N . 19768 1 203 . 1 1 23 23 GLN H H 1 8.287 0.020 . 1 . . . . 23 GLN H . 19768 1 204 . 1 1 23 23 GLN HA H 1 4.384 0.020 . 1 . . . . 23 GLN HA . 19768 1 205 . 1 1 23 23 GLN HB2 H 1 1.984 0.020 . 2 . . . . 23 GLN HB2 . 19768 1 206 . 1 1 23 23 GLN HB3 H 1 1.984 0.020 . 2 . . . . 23 GLN HB3 . 19768 1 207 . 1 1 23 23 GLN HG2 H 1 2.344 0.020 . 2 . . . . 23 GLN HG2 . 19768 1 208 . 1 1 23 23 GLN HG3 H 1 2.299 0.020 . 2 . . . . 23 GLN HG3 . 19768 1 209 . 1 1 23 23 GLN C C 13 174.590 0.400 . 1 . . . . 23 GLN C . 19768 1 210 . 1 1 23 23 GLN CA C 13 56.391 0.400 . 1 . . . . 23 GLN CA . 19768 1 211 . 1 1 23 23 GLN CB C 13 29.593 0.400 . 1 . . . . 23 GLN CB . 19768 1 212 . 1 1 23 23 GLN CG C 13 33.994 0.400 . 1 . . . . 23 GLN CG . 19768 1 213 . 1 1 23 23 GLN N N 15 121.361 0.400 . 1 . . . . 23 GLN N . 19768 1 214 . 1 1 24 24 CYS H H 1 7.134 0.020 . 1 . . . . 24 CYS H . 19768 1 215 . 1 1 24 24 CYS HA H 1 4.604 0.020 . 1 . . . . 24 CYS HA . 19768 1 216 . 1 1 24 24 CYS HB2 H 1 3.041 0.020 . 2 . . . . 24 CYS HB2 . 19768 1 217 . 1 1 24 24 CYS HB3 H 1 3.041 0.020 . 2 . . . . 24 CYS HB3 . 19768 1 218 . 1 1 24 24 CYS C C 13 171.803 0.400 . 1 . . . . 24 CYS C . 19768 1 219 . 1 1 24 24 CYS CA C 13 53.587 0.400 . 1 . . . . 24 CYS CA . 19768 1 220 . 1 1 24 24 CYS CB C 13 46.537 0.400 . 1 . . . . 24 CYS CB . 19768 1 221 . 1 1 24 24 CYS N N 15 114.332 0.400 . 1 . . . . 24 CYS N . 19768 1 222 . 1 1 25 25 LEU H H 1 9.124 0.020 . 1 . . . . 25 LEU H . 19768 1 223 . 1 1 25 25 LEU HA H 1 4.418 0.020 . 1 . . . . 25 LEU HA . 19768 1 224 . 1 1 25 25 LEU HB2 H 1 1.559 0.020 . 2 . . . . 25 LEU HB2 . 19768 1 225 . 1 1 25 25 LEU HB3 H 1 1.478 0.020 . 2 . . . . 25 LEU HB3 . 19768 1 226 . 1 1 25 25 LEU HG H 1 1.459 0.020 . 1 . . . . 25 LEU HG . 19768 1 227 . 1 1 25 25 LEU HD11 H 1 0.781 0.020 . 2 . . . . 25 LEU HD1 . 19768 1 228 . 1 1 25 25 LEU HD12 H 1 0.781 0.020 . 2 . . . . 25 LEU HD1 . 19768 1 229 . 1 1 25 25 LEU HD13 H 1 0.781 0.020 . 2 . . . . 25 LEU HD1 . 19768 1 230 . 1 1 25 25 LEU C C 13 176.534 0.400 . 1 . . . . 25 LEU C . 19768 1 231 . 1 1 25 25 LEU CA C 13 55.109 0.400 . 1 . . . . 25 LEU CA . 19768 1 232 . 1 1 25 25 LEU CB C 13 43.574 0.400 . 1 . . . . 25 LEU CB . 19768 1 233 . 1 1 25 25 LEU CG C 13 27.163 0.400 . 1 . . . . 25 LEU CG . 19768 1 234 . 1 1 25 25 LEU CD1 C 13 24.667 0.400 . 1 . . . . 25 LEU CD1 . 19768 1 235 . 1 1 25 25 LEU N N 15 119.507 0.400 . 1 . . . . 25 LEU N . 19768 1 236 . 1 1 26 26 SER H H 1 7.962 0.020 . 1 . . . . 26 SER H . 19768 1 237 . 1 1 26 26 SER HA H 1 4.549 0.020 . 1 . . . . 26 SER HA . 19768 1 238 . 1 1 26 26 SER HB2 H 1 3.848 0.020 . 2 . . . . 26 SER HB2 . 19768 1 239 . 1 1 26 26 SER HB3 H 1 3.643 0.020 . 2 . . . . 26 SER HB3 . 19768 1 240 . 1 1 26 26 SER CA C 13 56.223 0.400 . 1 . . . . 26 SER CA . 19768 1 241 . 1 1 26 26 SER CB C 13 65.279 0.400 . 1 . . . . 26 SER CB . 19768 1 242 . 1 1 26 26 SER N N 15 113.631 0.400 . 1 . . . . 26 SER N . 19768 1 243 . 1 1 27 27 ASP C C 13 178.082 0.400 . 1 . . . . 27 ASP C . 19768 1 244 . 1 1 27 27 ASP CA C 13 59.002 0.400 . 1 . . . . 27 ASP CA . 19768 1 245 . 1 1 27 27 ASP CB C 13 40.688 0.400 . 1 . . . . 27 ASP CB . 19768 1 246 . 1 1 28 28 THR H H 1 7.611 0.020 . 1 . . . . 28 THR H . 19768 1 247 . 1 1 28 28 THR HA H 1 4.054 0.020 . 1 . . . . 28 THR HA . 19768 1 248 . 1 1 28 28 THR HB H 1 4.221 0.020 . 1 . . . . 28 THR HB . 19768 1 249 . 1 1 28 28 THR HG21 H 1 1.162 0.020 . 1 . . . . 28 THR HG2 . 19768 1 250 . 1 1 28 28 THR HG22 H 1 1.162 0.020 . 1 . . . . 28 THR HG2 . 19768 1 251 . 1 1 28 28 THR HG23 H 1 1.162 0.020 . 1 . . . . 28 THR HG2 . 19768 1 252 . 1 1 28 28 THR C C 13 175.268 0.400 . 1 . . . . 28 THR C . 19768 1 253 . 1 1 28 28 THR CA C 13 63.670 0.400 . 1 . . . . 28 THR CA . 19768 1 254 . 1 1 28 28 THR CB C 13 68.218 0.400 . 1 . . . . 28 THR CB . 19768 1 255 . 1 1 28 28 THR CG2 C 13 22.072 0.400 . 1 . . . . 28 THR CG2 . 19768 1 256 . 1 1 28 28 THR N N 15 109.017 0.400 . 1 . . . . 28 THR N . 19768 1 257 . 1 1 29 29 ASP H H 1 7.464 0.020 . 1 . . . . 29 ASP H . 19768 1 258 . 1 1 29 29 ASP HA H 1 4.495 0.020 . 1 . . . . 29 ASP HA . 19768 1 259 . 1 1 29 29 ASP C C 13 176.142 0.400 . 1 . . . . 29 ASP C . 19768 1 260 . 1 1 29 29 ASP CA C 13 55.583 0.400 . 1 . . . . 29 ASP CA . 19768 1 261 . 1 1 29 29 ASP CB C 13 42.085 0.400 . 1 . . . . 29 ASP CB . 19768 1 262 . 1 1 29 29 ASP N N 15 119.720 0.400 . 1 . . . . 29 ASP N . 19768 1 263 . 1 1 30 30 CYS H H 1 7.447 0.020 . 1 . . . . 30 CYS H . 19768 1 264 . 1 1 30 30 CYS HA H 1 4.767 0.020 . 1 . . . . 30 CYS HA . 19768 1 265 . 1 1 30 30 CYS HB2 H 1 2.843 0.020 . 2 . . . . 30 CYS HB2 . 19768 1 266 . 1 1 30 30 CYS HB3 H 1 2.462 0.020 . 2 . . . . 30 CYS HB3 . 19768 1 267 . 1 1 30 30 CYS C C 13 173.641 0.400 . 1 . . . . 30 CYS C . 19768 1 268 . 1 1 30 30 CYS CA C 13 52.430 0.400 . 1 . . . . 30 CYS CA . 19768 1 269 . 1 1 30 30 CYS CB C 13 39.609 0.400 . 1 . . . . 30 CYS CB . 19768 1 270 . 1 1 30 30 CYS N N 15 117.100 0.400 . 1 . . . . 30 CYS N . 19768 1 271 . 1 1 31 31 ASN H H 1 8.142 0.020 . 1 . . . . 31 ASN H . 19768 1 272 . 1 1 31 31 ASN HA H 1 4.532 0.020 . 1 . . . . 31 ASN HA . 19768 1 273 . 1 1 31 31 ASN HB2 H 1 2.831 0.020 . 2 . . . . 31 ASN HB2 . 19768 1 274 . 1 1 31 31 ASN HB3 H 1 2.655 0.020 . 2 . . . . 31 ASN HB3 . 19768 1 275 . 1 1 31 31 ASN C C 13 173.715 0.400 . 1 . . . . 31 ASN C . 19768 1 276 . 1 1 31 31 ASN CA C 13 52.818 0.400 . 1 . . . . 31 ASN CA . 19768 1 277 . 1 1 31 31 ASN CB C 13 39.378 0.400 . 1 . . . . 31 ASN CB . 19768 1 278 . 1 1 31 31 ASN N N 15 118.576 0.400 . 1 . . . . 31 ASN N . 19768 1 279 . 1 1 32 32 THR H H 1 7.885 0.020 . 1 . . . . 32 THR H . 19768 1 280 . 1 1 32 32 THR HA H 1 3.958 0.020 . 1 . . . . 32 THR HA . 19768 1 281 . 1 1 32 32 THR HB H 1 3.968 0.020 . 1 . . . . 32 THR HB . 19768 1 282 . 1 1 32 32 THR HG21 H 1 1.209 0.020 . 1 . . . . 32 THR HG2 . 19768 1 283 . 1 1 32 32 THR HG22 H 1 1.209 0.020 . 1 . . . . 32 THR HG2 . 19768 1 284 . 1 1 32 32 THR HG23 H 1 1.209 0.020 . 1 . . . . 32 THR HG2 . 19768 1 285 . 1 1 32 32 THR C C 13 174.294 0.400 . 1 . . . . 32 THR C . 19768 1 286 . 1 1 32 32 THR CA C 13 64.218 0.400 . 1 . . . . 32 THR CA . 19768 1 287 . 1 1 32 32 THR CB C 13 68.939 0.400 . 1 . . . . 32 THR CB . 19768 1 288 . 1 1 32 32 THR CG2 C 13 21.718 0.400 . 1 . . . . 32 THR CG2 . 19768 1 289 . 1 1 32 32 THR N N 15 112.304 0.400 . 1 . . . . 32 THR N . 19768 1 290 . 1 1 33 33 ARG H H 1 8.761 0.020 . 1 . . . . 33 ARG H . 19768 1 291 . 1 1 33 33 ARG HA H 1 3.696 0.020 . 1 . . . . 33 ARG HA . 19768 1 292 . 1 1 33 33 ARG HB2 H 1 2.293 0.020 . 2 . . . . 33 ARG HB2 . 19768 1 293 . 1 1 33 33 ARG HB3 H 1 2.072 0.020 . 2 . . . . 33 ARG HB3 . 19768 1 294 . 1 1 33 33 ARG HG2 H 1 1.567 0.020 . 2 . . . . 33 ARG HG2 . 19768 1 295 . 1 1 33 33 ARG HG3 H 1 1.305 0.020 . 2 . . . . 33 ARG HG3 . 19768 1 296 . 1 1 33 33 ARG HD2 H 1 3.265 0.020 . 2 . . . . 33 ARG HD2 . 19768 1 297 . 1 1 33 33 ARG HD3 H 1 3.086 0.020 . 2 . . . . 33 ARG HD3 . 19768 1 298 . 1 1 33 33 ARG C C 13 174.458 0.400 . 1 . . . . 33 ARG C . 19768 1 299 . 1 1 33 33 ARG CA C 13 58.736 0.400 . 1 . . . . 33 ARG CA . 19768 1 300 . 1 1 33 33 ARG CB C 13 28.022 0.400 . 1 . . . . 33 ARG CB . 19768 1 301 . 1 1 33 33 ARG CG C 13 29.274 0.400 . 1 . . . . 33 ARG CG . 19768 1 302 . 1 1 33 33 ARG CD C 13 43.046 0.400 . 1 . . . . 33 ARG CD . 19768 1 303 . 1 1 33 33 ARG N N 15 116.598 0.400 . 1 . . . . 33 ARG N . 19768 1 304 . 1 1 34 34 LYS H H 1 8.021 0.020 . 1 . . . . 34 LYS H . 19768 1 305 . 1 1 34 34 LYS HA H 1 5.273 0.020 . 1 . . . . 34 LYS HA . 19768 1 306 . 1 1 34 34 LYS HB2 H 1 1.799 0.020 . 2 . . . . 34 LYS HB2 . 19768 1 307 . 1 1 34 34 LYS HB3 H 1 1.368 0.020 . 2 . . . . 34 LYS HB3 . 19768 1 308 . 1 1 34 34 LYS HG2 H 1 1.268 0.020 . 2 . . . . 34 LYS HG2 . 19768 1 309 . 1 1 34 34 LYS HG3 H 1 1.024 0.020 . 2 . . . . 34 LYS HG3 . 19768 1 310 . 1 1 34 34 LYS HD2 H 1 1.364 0.020 . 2 . . . . 34 LYS HD2 . 19768 1 311 . 1 1 34 34 LYS HD3 H 1 1.268 0.020 . 2 . . . . 34 LYS HD3 . 19768 1 312 . 1 1 34 34 LYS HE2 H 1 2.831 0.020 . 2 . . . . 34 LYS HE2 . 19768 1 313 . 1 1 34 34 LYS HE3 H 1 2.798 0.020 . 2 . . . . 34 LYS HE3 . 19768 1 314 . 1 1 34 34 LYS C C 13 174.269 0.400 . 1 . . . . 34 LYS C . 19768 1 315 . 1 1 34 34 LYS CA C 13 54.979 0.400 . 1 . . . . 34 LYS CA . 19768 1 316 . 1 1 34 34 LYS CB C 13 37.464 0.400 . 1 . . . . 34 LYS CB . 19768 1 317 . 1 1 34 34 LYS CG C 13 26.022 0.400 . 1 . . . . 34 LYS CG . 19768 1 318 . 1 1 34 34 LYS CD C 13 29.701 0.400 . 1 . . . . 34 LYS CD . 19768 1 319 . 1 1 34 34 LYS CE C 13 42.424 0.400 . 1 . . . . 34 LYS CE . 19768 1 320 . 1 1 34 34 LYS N N 15 119.140 0.400 . 1 . . . . 34 LYS N . 19768 1 321 . 1 1 35 35 PHE H H 1 8.668 0.020 . 1 . . . . 35 PHE H . 19768 1 322 . 1 1 35 35 PHE HA H 1 4.585 0.020 . 1 . . . . 35 PHE HA . 19768 1 323 . 1 1 35 35 PHE HB2 H 1 2.782 0.020 . 2 . . . . 35 PHE HB2 . 19768 1 324 . 1 1 35 35 PHE HB3 H 1 2.711 0.020 . 2 . . . . 35 PHE HB3 . 19768 1 325 . 1 1 35 35 PHE HD1 H 1 6.690 0.020 . 1 . . . . 35 PHE HD1 . 19768 1 326 . 1 1 35 35 PHE HD2 H 1 6.690 0.020 . 1 . . . . 35 PHE HD2 . 19768 1 327 . 1 1 35 35 PHE HE1 H 1 7.180 0.020 . 1 . . . . 35 PHE HE1 . 19768 1 328 . 1 1 35 35 PHE HE2 H 1 7.180 0.020 . 1 . . . . 35 PHE HE2 . 19768 1 329 . 1 1 35 35 PHE HZ H 1 6.992 0.020 . 1 . . . . 35 PHE HZ . 19768 1 330 . 1 1 35 35 PHE C C 13 171.576 0.400 . 1 . . . . 35 PHE C . 19768 1 331 . 1 1 35 35 PHE CA C 13 55.270 0.400 . 1 . . . . 35 PHE CA . 19768 1 332 . 1 1 35 35 PHE CB C 13 40.082 0.400 . 1 . . . . 35 PHE CB . 19768 1 333 . 1 1 35 35 PHE N N 15 116.632 0.400 . 1 . . . . 35 PHE N . 19768 1 334 . 1 1 36 36 CYS H H 1 9.650 0.020 . 1 . . . . 36 CYS H . 19768 1 335 . 1 1 36 36 CYS HA H 1 4.413 0.020 . 1 . . . . 36 CYS HA . 19768 1 336 . 1 1 36 36 CYS HB2 H 1 2.598 0.020 . 2 . . . . 36 CYS HB2 . 19768 1 337 . 1 1 36 36 CYS HB3 H 1 2.473 0.020 . 2 . . . . 36 CYS HB3 . 19768 1 338 . 1 1 36 36 CYS C C 13 172.058 0.400 . 1 . . . . 36 CYS C . 19768 1 339 . 1 1 36 36 CYS CA C 13 54.900 0.400 . 1 . . . . 36 CYS CA . 19768 1 340 . 1 1 36 36 CYS CB C 13 38.544 0.400 . 1 . . . . 36 CYS CB . 19768 1 341 . 1 1 36 36 CYS N N 15 122.059 0.400 . 1 . . . . 36 CYS N . 19768 1 342 . 1 1 37 37 LEU H H 1 8.377 0.020 . 1 . . . . 37 LEU H . 19768 1 343 . 1 1 37 37 LEU HA H 1 4.250 0.020 . 1 . . . . 37 LEU HA . 19768 1 344 . 1 1 37 37 LEU HB2 H 1 0.861 0.020 . 2 . . . . 37 LEU HB2 . 19768 1 345 . 1 1 37 37 LEU HB3 H 1 0.620 0.020 . 2 . . . . 37 LEU HB3 . 19768 1 346 . 1 1 37 37 LEU HG H 1 1.085 0.020 . 1 . . . . 37 LEU HG . 19768 1 347 . 1 1 37 37 LEU HD11 H 1 0.604 0.020 . 2 . . . . 37 LEU HD1 . 19768 1 348 . 1 1 37 37 LEU HD12 H 1 0.604 0.020 . 2 . . . . 37 LEU HD1 . 19768 1 349 . 1 1 37 37 LEU HD13 H 1 0.604 0.020 . 2 . . . . 37 LEU HD1 . 19768 1 350 . 1 1 37 37 LEU C C 13 174.901 0.400 . 1 . . . . 37 LEU C . 19768 1 351 . 1 1 37 37 LEU CA C 13 54.534 0.400 . 1 . . . . 37 LEU CA . 19768 1 352 . 1 1 37 37 LEU CB C 13 42.844 0.400 . 1 . . . . 37 LEU CB . 19768 1 353 . 1 1 37 37 LEU CG C 13 27.645 0.400 . 1 . . . . 37 LEU CG . 19768 1 354 . 1 1 37 37 LEU CD1 C 13 25.577 0.400 . 1 . . . . 37 LEU CD1 . 19768 1 355 . 1 1 37 37 LEU N N 15 135.957 0.400 . 1 . . . . 37 LEU N . 19768 1 356 . 1 1 38 38 GLN H H 1 8.119 0.020 . 1 . . . . 38 GLN H . 19768 1 357 . 1 1 38 38 GLN CA C 13 52.532 0.400 . 1 . . . . 38 GLN CA . 19768 1 358 . 1 1 38 38 GLN N N 15 125.039 0.400 . 1 . . . . 38 GLN N . 19768 1 359 . 1 1 39 39 PRO C C 13 176.598 0.400 . 1 . . . . 39 PRO C . 19768 1 360 . 1 1 39 39 PRO CA C 13 61.430 0.400 . 1 . . . . 39 PRO CA . 19768 1 361 . 1 1 39 39 PRO CB C 13 32.183 0.400 . 1 . . . . 39 PRO CB . 19768 1 362 . 1 1 40 40 ARG H H 1 8.440 0.020 . 1 . . . . 40 ARG H . 19768 1 363 . 1 1 40 40 ARG HA H 1 3.968 0.020 . 1 . . . . 40 ARG HA . 19768 1 364 . 1 1 40 40 ARG HB2 H 1 1.696 0.020 . 2 . . . . 40 ARG HB2 . 19768 1 365 . 1 1 40 40 ARG HB3 H 1 1.697 0.020 . 2 . . . . 40 ARG HB3 . 19768 1 366 . 1 1 40 40 ARG HG2 H 1 1.563 0.020 . 2 . . . . 40 ARG HG2 . 19768 1 367 . 1 1 40 40 ARG HG3 H 1 1.515 0.020 . 2 . . . . 40 ARG HG3 . 19768 1 368 . 1 1 40 40 ARG HD2 H 1 3.089 0.020 . 2 . . . . 40 ARG HD2 . 19768 1 369 . 1 1 40 40 ARG HD3 H 1 3.089 0.020 . 2 . . . . 40 ARG HD3 . 19768 1 370 . 1 1 40 40 ARG C C 13 177.162 0.400 . 1 . . . . 40 ARG C . 19768 1 371 . 1 1 40 40 ARG CA C 13 58.034 0.400 . 1 . . . . 40 ARG CA . 19768 1 372 . 1 1 40 40 ARG CB C 13 29.919 0.400 . 1 . . . . 40 ARG CB . 19768 1 373 . 1 1 40 40 ARG CG C 13 26.576 0.400 . 1 . . . . 40 ARG CG . 19768 1 374 . 1 1 40 40 ARG CD C 13 43.115 0.400 . 1 . . . . 40 ARG CD . 19768 1 375 . 1 1 40 40 ARG N N 15 120.593 0.400 . 1 . . . . 40 ARG N . 19768 1 376 . 1 1 41 41 ASP H H 1 8.453 0.020 . 1 . . . . 41 ASP H . 19768 1 377 . 1 1 41 41 ASP HA H 1 4.444 0.020 . 1 . . . . 41 ASP HA . 19768 1 378 . 1 1 41 41 ASP HB2 H 1 2.683 0.020 . 2 . . . . 41 ASP HB2 . 19768 1 379 . 1 1 41 41 ASP HB3 H 1 2.683 0.020 . 2 . . . . 41 ASP HB3 . 19768 1 380 . 1 1 41 41 ASP C C 13 174.862 0.400 . 1 . . . . 41 ASP C . 19768 1 381 . 1 1 41 41 ASP CA C 13 54.740 0.400 . 1 . . . . 41 ASP CA . 19768 1 382 . 1 1 41 41 ASP CB C 13 40.598 0.400 . 1 . . . . 41 ASP CB . 19768 1 383 . 1 1 41 41 ASP N N 15 117.504 0.400 . 1 . . . . 41 ASP N . 19768 1 384 . 1 1 42 42 GLU H H 1 7.233 0.020 . 1 . . . . 42 GLU H . 19768 1 385 . 1 1 42 42 GLU HA H 1 4.464 0.020 . 1 . . . . 42 GLU HA . 19768 1 386 . 1 1 42 42 GLU HB2 H 1 1.721 0.020 . 2 . . . . 42 GLU HB2 . 19768 1 387 . 1 1 42 42 GLU HB3 H 1 1.621 0.020 . 2 . . . . 42 GLU HB3 . 19768 1 388 . 1 1 42 42 GLU HG2 H 1 2.132 0.020 . 2 . . . . 42 GLU HG2 . 19768 1 389 . 1 1 42 42 GLU HG3 H 1 2.132 0.020 . 2 . . . . 42 GLU HG3 . 19768 1 390 . 1 1 42 42 GLU C C 13 175.037 0.400 . 1 . . . . 42 GLU C . 19768 1 391 . 1 1 42 42 GLU CA C 13 54.639 0.400 . 1 . . . . 42 GLU CA . 19768 1 392 . 1 1 42 42 GLU CB C 13 33.116 0.400 . 1 . . . . 42 GLU CB . 19768 1 393 . 1 1 42 42 GLU N N 15 117.040 0.400 . 1 . . . . 42 GLU N . 19768 1 394 . 1 1 43 43 LYS H H 1 8.298 0.020 . 1 . . . . 43 LYS H . 19768 1 395 . 1 1 43 43 LYS CA C 13 54.686 0.400 . 1 . . . . 43 LYS CA . 19768 1 396 . 1 1 43 43 LYS CB C 13 31.628 0.400 . 1 . . . . 43 LYS CB . 19768 1 397 . 1 1 43 43 LYS N N 15 121.479 0.400 . 1 . . . . 43 LYS N . 19768 1 398 . 1 1 44 44 PRO HA H 1 4.865 0.020 . 1 . . . . 44 PRO HA . 19768 1 399 . 1 1 44 44 PRO HB2 H 1 2.119 0.020 . 2 . . . . 44 PRO HB2 . 19768 1 400 . 1 1 44 44 PRO HB3 H 1 2.043 0.020 . 2 . . . . 44 PRO HB3 . 19768 1 401 . 1 1 44 44 PRO HG2 H 1 2.112 0.020 . 2 . . . . 44 PRO HG2 . 19768 1 402 . 1 1 44 44 PRO HG3 H 1 1.883 0.020 . 2 . . . . 44 PRO HG3 . 19768 1 403 . 1 1 44 44 PRO HD2 H 1 3.595 0.020 . 2 . . . . 44 PRO HD2 . 19768 1 404 . 1 1 44 44 PRO C C 13 176.238 0.400 . 1 . . . . 44 PRO C . 19768 1 405 . 1 1 44 44 PRO CA C 13 63.054 0.400 . 1 . . . . 44 PRO CA . 19768 1 406 . 1 1 44 44 PRO CB C 13 32.854 0.400 . 1 . . . . 44 PRO CB . 19768 1 407 . 1 1 44 44 PRO CG C 13 28.164 0.400 . 1 . . . . 44 PRO CG . 19768 1 408 . 1 1 45 45 PHE H H 1 8.092 0.020 . 1 . . . . 45 PHE H . 19768 1 409 . 1 1 45 45 PHE HA H 1 4.949 0.020 . 1 . . . . 45 PHE HA . 19768 1 410 . 1 1 45 45 PHE HB2 H 1 2.916 0.020 . 2 . . . . 45 PHE HB2 . 19768 1 411 . 1 1 45 45 PHE HB3 H 1 2.680 0.020 . 2 . . . . 45 PHE HB3 . 19768 1 412 . 1 1 45 45 PHE HD1 H 1 7.050 0.020 . 1 . . . . 45 PHE HD1 . 19768 1 413 . 1 1 45 45 PHE HD2 H 1 7.050 0.020 . 1 . . . . 45 PHE HD2 . 19768 1 414 . 1 1 45 45 PHE HE1 H 1 6.575 0.020 . 1 . . . . 45 PHE HE1 . 19768 1 415 . 1 1 45 45 PHE HE2 H 1 6.575 0.020 . 1 . . . . 45 PHE HE2 . 19768 1 416 . 1 1 45 45 PHE HZ H 1 7.015 0.020 . 1 . . . . 45 PHE HZ . 19768 1 417 . 1 1 45 45 PHE C C 13 173.382 0.400 . 1 . . . . 45 PHE C . 19768 1 418 . 1 1 45 45 PHE CA C 13 55.597 0.400 . 1 . . . . 45 PHE CA . 19768 1 419 . 1 1 45 45 PHE CB C 13 41.587 0.400 . 1 . . . . 45 PHE CB . 19768 1 420 . 1 1 45 45 PHE N N 15 117.089 0.400 . 1 . . . . 45 PHE N . 19768 1 421 . 1 1 46 46 CYS H H 1 8.419 0.020 . 1 . . . . 46 CYS H . 19768 1 422 . 1 1 46 46 CYS HA H 1 4.925 0.020 . 1 . . . . 46 CYS HA . 19768 1 423 . 1 1 46 46 CYS HB2 H 1 2.785 0.020 . 2 . . . . 46 CYS HB2 . 19768 1 424 . 1 1 46 46 CYS HB3 H 1 2.483 0.020 . 2 . . . . 46 CYS HB3 . 19768 1 425 . 1 1 46 46 CYS C C 13 173.400 0.400 . 1 . . . . 46 CYS C . 19768 1 426 . 1 1 46 46 CYS CA C 13 54.424 0.400 . 1 . . . . 46 CYS CA . 19768 1 427 . 1 1 46 46 CYS CB C 13 39.562 0.400 . 1 . . . . 46 CYS CB . 19768 1 428 . 1 1 46 46 CYS N N 15 117.727 0.400 . 1 . . . . 46 CYS N . 19768 1 429 . 1 1 47 47 ALA H H 1 8.902 0.020 . 1 . . . . 47 ALA H . 19768 1 430 . 1 1 47 47 ALA HA H 1 4.507 0.020 . 1 . . . . 47 ALA HA . 19768 1 431 . 1 1 47 47 ALA HB1 H 1 0.568 0.020 . 1 . . . . 47 ALA HB . 19768 1 432 . 1 1 47 47 ALA HB2 H 1 0.568 0.020 . 1 . . . . 47 ALA HB . 19768 1 433 . 1 1 47 47 ALA HB3 H 1 0.568 0.020 . 1 . . . . 47 ALA HB . 19768 1 434 . 1 1 47 47 ALA C C 13 175.708 0.400 . 1 . . . . 47 ALA C . 19768 1 435 . 1 1 47 47 ALA CA C 13 49.902 0.400 . 1 . . . . 47 ALA CA . 19768 1 436 . 1 1 47 47 ALA CB C 13 22.513 0.400 . 1 . . . . 47 ALA CB . 19768 1 437 . 1 1 47 47 ALA N N 15 132.030 0.400 . 1 . . . . 47 ALA N . 19768 1 438 . 1 1 48 48 THR H H 1 8.154 0.020 . 1 . . . . 48 THR H . 19768 1 439 . 1 1 48 48 THR HA H 1 4.037 0.020 . 1 . . . . 48 THR HA . 19768 1 440 . 1 1 48 48 THR HB H 1 4.041 0.020 . 1 . . . . 48 THR HB . 19768 1 441 . 1 1 48 48 THR HG21 H 1 1.463 0.020 . 1 . . . . 48 THR HG2 . 19768 1 442 . 1 1 48 48 THR HG22 H 1 1.463 0.020 . 1 . . . . 48 THR HG2 . 19768 1 443 . 1 1 48 48 THR HG23 H 1 1.463 0.020 . 1 . . . . 48 THR HG2 . 19768 1 444 . 1 1 48 48 THR C C 13 177.198 0.400 . 1 . . . . 48 THR C . 19768 1 445 . 1 1 48 48 THR CA C 13 63.924 0.400 . 1 . . . . 48 THR CA . 19768 1 446 . 1 1 48 48 THR CB C 13 69.344 0.400 . 1 . . . . 48 THR CB . 19768 1 447 . 1 1 48 48 THR CG2 C 13 22.321 0.400 . 1 . . . . 48 THR CG2 . 19768 1 448 . 1 1 48 48 THR N N 15 114.852 0.400 . 1 . . . . 48 THR N . 19768 1 449 . 1 1 49 49 CYS H H 1 8.125 0.020 . 1 . . . . 49 CYS H . 19768 1 450 . 1 1 49 49 CYS HA H 1 4.397 0.020 . 1 . . . . 49 CYS HA . 19768 1 451 . 1 1 49 49 CYS HB2 H 1 3.172 0.020 . 2 . . . . 49 CYS HB2 . 19768 1 452 . 1 1 49 49 CYS HB3 H 1 2.631 0.020 . 2 . . . . 49 CYS HB3 . 19768 1 453 . 1 1 49 49 CYS C C 13 172.918 0.400 . 1 . . . . 49 CYS C . 19768 1 454 . 1 1 49 49 CYS CA C 13 55.419 0.400 . 1 . . . . 49 CYS CA . 19768 1 455 . 1 1 49 49 CYS CB C 13 42.760 0.400 . 1 . . . . 49 CYS CB . 19768 1 456 . 1 1 49 49 CYS N N 15 120.968 0.400 . 1 . . . . 49 CYS N . 19768 1 457 . 1 1 50 50 ARG H H 1 9.394 0.020 . 1 . . . . 50 ARG H . 19768 1 458 . 1 1 50 50 ARG HA H 1 4.311 0.020 . 1 . . . . 50 ARG HA . 19768 1 459 . 1 1 50 50 ARG C C 13 175.757 0.400 . 1 . . . . 50 ARG C . 19768 1 460 . 1 1 50 50 ARG CA C 13 55.231 0.400 . 1 . . . . 50 ARG CA . 19768 1 461 . 1 1 50 50 ARG CB C 13 30.935 0.400 . 1 . . . . 50 ARG CB . 19768 1 462 . 1 1 50 50 ARG N N 15 121.558 0.400 . 1 . . . . 50 ARG N . 19768 1 463 . 1 1 51 51 GLY H H 1 8.177 0.020 . 1 . . . . 51 GLY H . 19768 1 464 . 1 1 51 51 GLY HA2 H 1 3.885 0.020 . 2 . . . . 51 GLY HA2 . 19768 1 465 . 1 1 51 51 GLY HA3 H 1 3.647 0.020 . 2 . . . . 51 GLY HA3 . 19768 1 466 . 1 1 51 51 GLY C C 13 172.381 0.400 . 1 . . . . 51 GLY C . 19768 1 467 . 1 1 51 51 GLY CA C 13 43.374 0.400 . 1 . . . . 51 GLY CA . 19768 1 468 . 1 1 51 51 GLY N N 15 108.624 0.400 . 1 . . . . 51 GLY N . 19768 1 469 . 1 1 52 52 LEU H H 1 7.671 0.020 . 1 . . . . 52 LEU H . 19768 1 470 . 1 1 52 52 LEU HA H 1 3.601 0.020 . 1 . . . . 52 LEU HA . 19768 1 471 . 1 1 52 52 LEU HB2 H 1 1.478 0.020 . 2 . . . . 52 LEU HB2 . 19768 1 472 . 1 1 52 52 LEU HB3 H 1 1.354 0.020 . 2 . . . . 52 LEU HB3 . 19768 1 473 . 1 1 52 52 LEU HG H 1 1.574 0.020 . 1 . . . . 52 LEU HG . 19768 1 474 . 1 1 52 52 LEU HD11 H 1 0.861 0.020 . 2 . . . . 52 LEU HD1 . 19768 1 475 . 1 1 52 52 LEU HD12 H 1 0.861 0.020 . 2 . . . . 52 LEU HD1 . 19768 1 476 . 1 1 52 52 LEU HD13 H 1 0.861 0.020 . 2 . . . . 52 LEU HD1 . 19768 1 477 . 1 1 52 52 LEU HD21 H 1 0.788 0.020 . 2 . . . . 52 LEU HD2 . 19768 1 478 . 1 1 52 52 LEU HD22 H 1 0.788 0.020 . 2 . . . . 52 LEU HD2 . 19768 1 479 . 1 1 52 52 LEU HD23 H 1 0.788 0.020 . 2 . . . . 52 LEU HD2 . 19768 1 480 . 1 1 52 52 LEU C C 13 178.519 0.400 . 1 . . . . 52 LEU C . 19768 1 481 . 1 1 52 52 LEU CA C 13 56.402 0.400 . 1 . . . . 52 LEU CA . 19768 1 482 . 1 1 52 52 LEU CB C 13 42.464 0.400 . 1 . . . . 52 LEU CB . 19768 1 483 . 1 1 52 52 LEU CG C 13 26.892 0.400 . 1 . . . . 52 LEU CG . 19768 1 484 . 1 1 52 52 LEU CD1 C 13 24.744 0.400 . 1 . . . . 52 LEU CD1 . 19768 1 485 . 1 1 52 52 LEU N N 15 117.252 0.400 . 1 . . . . 52 LEU N . 19768 1 486 . 1 1 53 53 ARG H H 1 8.796 0.020 . 1 . . . . 53 ARG H . 19768 1 487 . 1 1 53 53 ARG HA H 1 3.500 0.020 . 1 . . . . 53 ARG HA . 19768 1 488 . 1 1 53 53 ARG HB2 H 1 2.138 0.020 . 2 . . . . 53 ARG HB2 . 19768 1 489 . 1 1 53 53 ARG HB3 H 1 1.976 0.020 . 2 . . . . 53 ARG HB3 . 19768 1 490 . 1 1 53 53 ARG HG2 H 1 1.544 0.020 . 2 . . . . 53 ARG HG2 . 19768 1 491 . 1 1 53 53 ARG HG3 H 1 1.544 0.020 . 2 . . . . 53 ARG HG3 . 19768 1 492 . 1 1 53 53 ARG HD2 H 1 3.149 0.020 . 2 . . . . 53 ARG HD2 . 19768 1 493 . 1 1 53 53 ARG HD3 H 1 3.064 0.020 . 2 . . . . 53 ARG HD3 . 19768 1 494 . 1 1 53 53 ARG C C 13 175.320 0.400 . 1 . . . . 53 ARG C . 19768 1 495 . 1 1 53 53 ARG CA C 13 58.503 0.400 . 1 . . . . 53 ARG CA . 19768 1 496 . 1 1 53 53 ARG CB C 13 27.757 0.400 . 1 . . . . 53 ARG CB . 19768 1 497 . 1 1 53 53 ARG CG C 13 28.291 0.400 . 1 . . . . 53 ARG CG . 19768 1 498 . 1 1 53 53 ARG CD C 13 42.944 0.400 . 1 . . . . 53 ARG CD . 19768 1 499 . 1 1 53 53 ARG N N 15 114.226 0.400 . 1 . . . . 53 ARG N . 19768 1 500 . 1 1 54 54 ARG H H 1 7.429 0.020 . 1 . . . . 54 ARG H . 19768 1 501 . 1 1 54 54 ARG HA H 1 4.363 0.020 . 1 . . . . 54 ARG HA . 19768 1 502 . 1 1 54 54 ARG HB2 H 1 1.737 0.020 . 2 . . . . 54 ARG HB2 . 19768 1 503 . 1 1 54 54 ARG HB3 H 1 1.737 0.020 . 2 . . . . 54 ARG HB3 . 19768 1 504 . 1 1 54 54 ARG HD2 H 1 3.088 0.020 . 2 . . . . 54 ARG HD2 . 19768 1 505 . 1 1 54 54 ARG HD3 H 1 3.088 0.020 . 2 . . . . 54 ARG HD3 . 19768 1 506 . 1 1 54 54 ARG C C 13 175.287 0.400 . 1 . . . . 54 ARG C . 19768 1 507 . 1 1 54 54 ARG CA C 13 53.959 0.400 . 1 . . . . 54 ARG CA . 19768 1 508 . 1 1 54 54 ARG CB C 13 30.152 0.400 . 1 . . . . 54 ARG CB . 19768 1 509 . 1 1 54 54 ARG N N 15 118.622 0.400 . 1 . . . . 54 ARG N . 19768 1 510 . 1 1 55 55 ARG H H 1 8.117 0.020 . 1 . . . . 55 ARG H . 19768 1 511 . 1 1 55 55 ARG C C 13 175.176 0.400 . 1 . . . . 55 ARG C . 19768 1 512 . 1 1 55 55 ARG CA C 13 56.101 0.400 . 1 . . . . 55 ARG CA . 19768 1 513 . 1 1 55 55 ARG CB C 13 30.481 0.400 . 1 . . . . 55 ARG CB . 19768 1 514 . 1 1 55 55 ARG N N 15 119.501 0.400 . 1 . . . . 55 ARG N . 19768 1 515 . 1 1 56 56 CYS H H 1 8.101 0.020 . 1 . . . . 56 CYS H . 19768 1 516 . 1 1 56 56 CYS HA H 1 4.447 0.020 . 1 . . . . 56 CYS HA . 19768 1 517 . 1 1 56 56 CYS HB2 H 1 2.739 0.020 . 2 . . . . 56 CYS HB2 . 19768 1 518 . 1 1 56 56 CYS HB3 H 1 2.739 0.020 . 2 . . . . 56 CYS HB3 . 19768 1 519 . 1 1 56 56 CYS C C 13 171.865 0.400 . 1 . . . . 56 CYS C . 19768 1 520 . 1 1 56 56 CYS CA C 13 53.453 0.400 . 1 . . . . 56 CYS CA . 19768 1 521 . 1 1 56 56 CYS CB C 13 47.144 0.400 . 1 . . . . 56 CYS CB . 19768 1 522 . 1 1 56 56 CYS N N 15 116.506 0.400 . 1 . . . . 56 CYS N . 19768 1 523 . 1 1 57 57 GLN H H 1 7.672 0.020 . 1 . . . . 57 GLN H . 19768 1 524 . 1 1 57 57 GLN C C 13 174.585 0.400 . 1 . . . . 57 GLN C . 19768 1 525 . 1 1 57 57 GLN CA C 13 55.359 0.400 . 1 . . . . 57 GLN CA . 19768 1 526 . 1 1 57 57 GLN CB C 13 31.191 0.400 . 1 . . . . 57 GLN CB . 19768 1 527 . 1 1 57 57 GLN N N 15 117.245 0.400 . 1 . . . . 57 GLN N . 19768 1 528 . 1 1 58 58 ARG H H 1 7.021 0.020 . 1 . . . . 58 ARG H . 19768 1 529 . 1 1 58 58 ARG HA H 1 4.582 0.020 . 1 . . . . 58 ARG HA . 19768 1 530 . 1 1 58 58 ARG C C 13 176.233 0.400 . 1 . . . . 58 ARG C . 19768 1 531 . 1 1 58 58 ARG CA C 13 53.993 0.400 . 1 . . . . 58 ARG CA . 19768 1 532 . 1 1 58 58 ARG CB C 13 30.633 0.400 . 1 . . . . 58 ARG CB . 19768 1 533 . 1 1 58 58 ARG N N 15 112.851 0.400 . 1 . . . . 58 ARG N . 19768 1 534 . 1 1 59 59 ASP H H 1 8.920 0.020 . 1 . . . . 59 ASP H . 19768 1 535 . 1 1 59 59 ASP HA H 1 4.569 0.020 . 1 . . . . 59 ASP HA . 19768 1 536 . 1 1 59 59 ASP C C 13 178.489 0.400 . 1 . . . . 59 ASP C . 19768 1 537 . 1 1 59 59 ASP CA C 13 58.949 0.400 . 1 . . . . 59 ASP CA . 19768 1 538 . 1 1 59 59 ASP CB C 13 40.518 0.400 . 1 . . . . 59 ASP CB . 19768 1 539 . 1 1 59 59 ASP N N 15 124.146 0.400 . 1 . . . . 59 ASP N . 19768 1 540 . 1 1 60 60 ALA H H 1 8.412 0.020 . 1 . . . . 60 ALA H . 19768 1 541 . 1 1 60 60 ALA HA H 1 3.978 0.020 . 1 . . . . 60 ALA HA . 19768 1 542 . 1 1 60 60 ALA HB1 H 1 1.257 0.020 . 1 . . . . 60 ALA HB . 19768 1 543 . 1 1 60 60 ALA HB2 H 1 1.257 0.020 . 1 . . . . 60 ALA HB . 19768 1 544 . 1 1 60 60 ALA HB3 H 1 1.257 0.020 . 1 . . . . 60 ALA HB . 19768 1 545 . 1 1 60 60 ALA C C 13 177.284 0.400 . 1 . . . . 60 ALA C . 19768 1 546 . 1 1 60 60 ALA CA C 13 53.915 0.400 . 1 . . . . 60 ALA CA . 19768 1 547 . 1 1 60 60 ALA CB C 13 18.937 0.400 . 1 . . . . 60 ALA CB . 19768 1 548 . 1 1 60 60 ALA N N 15 118.946 0.400 . 1 . . . . 60 ALA N . 19768 1 549 . 1 1 61 61 MET H H 1 6.806 0.020 . 1 . . . . 61 MET H . 19768 1 550 . 1 1 61 61 MET HA H 1 2.957 0.020 . 1 . . . . 61 MET HA . 19768 1 551 . 1 1 61 61 MET C C 13 175.470 0.400 . 1 . . . . 61 MET C . 19768 1 552 . 1 1 61 61 MET CA C 13 56.748 0.400 . 1 . . . . 61 MET CA . 19768 1 553 . 1 1 61 61 MET CB C 13 33.461 0.400 . 1 . . . . 61 MET CB . 19768 1 554 . 1 1 61 61 MET N N 15 109.787 0.400 . 1 . . . . 61 MET N . 19768 1 555 . 1 1 62 62 CYS H H 1 7.666 0.020 . 1 . . . . 62 CYS H . 19768 1 556 . 1 1 62 62 CYS HA H 1 4.867 0.020 . 1 . . . . 62 CYS HA . 19768 1 557 . 1 1 62 62 CYS HB2 H 1 3.625 0.020 . 2 . . . . 62 CYS HB2 . 19768 1 558 . 1 1 62 62 CYS HB3 H 1 2.266 0.020 . 2 . . . . 62 CYS HB3 . 19768 1 559 . 1 1 62 62 CYS C C 13 174.713 0.400 . 1 . . . . 62 CYS C . 19768 1 560 . 1 1 62 62 CYS CA C 13 52.994 0.400 . 1 . . . . 62 CYS CA . 19768 1 561 . 1 1 62 62 CYS CB C 13 38.163 0.400 . 1 . . . . 62 CYS CB . 19768 1 562 . 1 1 62 62 CYS N N 15 117.579 0.400 . 1 . . . . 62 CYS N . 19768 1 563 . 1 1 63 63 CYS H H 1 7.721 0.020 . 1 . . . . 63 CYS H . 19768 1 564 . 1 1 63 63 CYS HA H 1 4.632 0.020 . 1 . . . . 63 CYS HA . 19768 1 565 . 1 1 63 63 CYS HB2 H 1 3.084 0.020 . 2 . . . . 63 CYS HB2 . 19768 1 566 . 1 1 63 63 CYS HB3 H 1 2.590 0.020 . 2 . . . . 63 CYS HB3 . 19768 1 567 . 1 1 63 63 CYS CA C 13 53.075 0.400 . 1 . . . . 63 CYS CA . 19768 1 568 . 1 1 63 63 CYS CB C 13 37.121 0.400 . 1 . . . . 63 CYS CB . 19768 1 569 . 1 1 63 63 CYS N N 15 118.969 0.400 . 1 . . . . 63 CYS N . 19768 1 570 . 1 1 64 64 PRO C C 13 176.259 0.400 . 1 . . . . 64 PRO C . 19768 1 571 . 1 1 64 64 PRO CA C 13 64.654 0.400 . 1 . . . . 64 PRO CA . 19768 1 572 . 1 1 65 65 GLY H H 1 8.784 0.020 . 1 . . . . 65 GLY H . 19768 1 573 . 1 1 65 65 GLY HA2 H 1 4.298 0.020 . 2 . . . . 65 GLY HA2 . 19768 1 574 . 1 1 65 65 GLY HA3 H 1 3.534 0.020 . 2 . . . . 65 GLY HA3 . 19768 1 575 . 1 1 65 65 GLY C C 13 173.699 0.400 . 1 . . . . 65 GLY C . 19768 1 576 . 1 1 65 65 GLY CA C 13 44.489 0.400 . 1 . . . . 65 GLY CA . 19768 1 577 . 1 1 65 65 GLY N N 15 112.620 0.400 . 1 . . . . 65 GLY N . 19768 1 578 . 1 1 66 66 THR H H 1 7.945 0.020 . 1 . . . . 66 THR H . 19768 1 579 . 1 1 66 66 THR HA H 1 4.809 0.020 . 1 . . . . 66 THR HA . 19768 1 580 . 1 1 66 66 THR HB H 1 3.833 0.020 . 1 . . . . 66 THR HB . 19768 1 581 . 1 1 66 66 THR HG21 H 1 0.804 0.020 . 1 . . . . 66 THR HG2 . 19768 1 582 . 1 1 66 66 THR HG22 H 1 0.804 0.020 . 1 . . . . 66 THR HG2 . 19768 1 583 . 1 1 66 66 THR HG23 H 1 0.804 0.020 . 1 . . . . 66 THR HG2 . 19768 1 584 . 1 1 66 66 THR C C 13 171.347 0.400 . 1 . . . . 66 THR C . 19768 1 585 . 1 1 66 66 THR CA C 13 59.299 0.400 . 1 . . . . 66 THR CA . 19768 1 586 . 1 1 66 66 THR CB C 13 72.492 0.400 . 1 . . . . 66 THR CB . 19768 1 587 . 1 1 66 66 THR CG2 C 13 22.615 0.400 . 1 . . . . 66 THR CG2 . 19768 1 588 . 1 1 66 66 THR N N 15 111.073 0.400 . 1 . . . . 66 THR N . 19768 1 589 . 1 1 67 67 LEU H H 1 8.815 0.020 . 1 . . . . 67 LEU H . 19768 1 590 . 1 1 67 67 LEU HA H 1 4.429 0.020 . 1 . . . . 67 LEU HA . 19768 1 591 . 1 1 67 67 LEU HB2 H 1 1.329 0.020 . 2 . . . . 67 LEU HB2 . 19768 1 592 . 1 1 67 67 LEU HB3 H 1 1.241 0.020 . 2 . . . . 67 LEU HB3 . 19768 1 593 . 1 1 67 67 LEU HG H 1 1.317 0.020 . 1 . . . . 67 LEU HG . 19768 1 594 . 1 1 67 67 LEU HD11 H 1 0.683 0.020 . 2 . . . . 67 LEU HD1 . 19768 1 595 . 1 1 67 67 LEU HD12 H 1 0.683 0.020 . 2 . . . . 67 LEU HD1 . 19768 1 596 . 1 1 67 67 LEU HD13 H 1 0.683 0.020 . 2 . . . . 67 LEU HD1 . 19768 1 597 . 1 1 67 67 LEU C C 13 174.841 0.400 . 1 . . . . 67 LEU C . 19768 1 598 . 1 1 67 67 LEU CA C 13 53.212 0.400 . 1 . . . . 67 LEU CA . 19768 1 599 . 1 1 67 67 LEU CB C 13 45.667 0.400 . 1 . . . . 67 LEU CB . 19768 1 600 . 1 1 67 67 LEU CG C 13 26.839 0.400 . 1 . . . . 67 LEU CG . 19768 1 601 . 1 1 67 67 LEU CD1 C 13 22.602 0.400 . 1 . . . . 67 LEU CD1 . 19768 1 602 . 1 1 67 67 LEU N N 15 119.708 0.400 . 1 . . . . 67 LEU N . 19768 1 603 . 1 1 68 68 CYS H H 1 9.204 0.020 . 1 . . . . 68 CYS H . 19768 1 604 . 1 1 68 68 CYS HA H 1 4.606 0.020 . 1 . . . . 68 CYS HA . 19768 1 605 . 1 1 68 68 CYS HB2 H 1 2.784 0.020 . 2 . . . . 68 CYS HB2 . 19768 1 606 . 1 1 68 68 CYS HB3 H 1 2.460 0.020 . 2 . . . . 68 CYS HB3 . 19768 1 607 . 1 1 68 68 CYS C C 13 173.517 0.400 . 1 . . . . 68 CYS C . 19768 1 608 . 1 1 68 68 CYS CA C 13 55.764 0.400 . 1 . . . . 68 CYS CA . 19768 1 609 . 1 1 68 68 CYS CB C 13 39.549 0.400 . 1 . . . . 68 CYS CB . 19768 1 610 . 1 1 68 68 CYS N N 15 122.073 0.400 . 1 . . . . 68 CYS N . 19768 1 611 . 1 1 69 69 VAL H H 1 8.290 0.020 . 1 . . . . 69 VAL H . 19768 1 612 . 1 1 69 69 VAL HA H 1 4.131 0.020 . 1 . . . . 69 VAL HA . 19768 1 613 . 1 1 69 69 VAL HB H 1 1.842 0.020 . 1 . . . . 69 VAL HB . 19768 1 614 . 1 1 69 69 VAL HG11 H 1 0.684 0.020 . 2 . . . . 69 VAL HG1 . 19768 1 615 . 1 1 69 69 VAL HG12 H 1 0.684 0.020 . 2 . . . . 69 VAL HG1 . 19768 1 616 . 1 1 69 69 VAL HG13 H 1 0.684 0.020 . 2 . . . . 69 VAL HG1 . 19768 1 617 . 1 1 69 69 VAL HG21 H 1 0.673 0.020 . 2 . . . . 69 VAL HG2 . 19768 1 618 . 1 1 69 69 VAL HG22 H 1 0.673 0.020 . 2 . . . . 69 VAL HG2 . 19768 1 619 . 1 1 69 69 VAL HG23 H 1 0.673 0.020 . 2 . . . . 69 VAL HG2 . 19768 1 620 . 1 1 69 69 VAL C C 13 175.594 0.400 . 1 . . . . 69 VAL C . 19768 1 621 . 1 1 69 69 VAL CA C 13 61.534 0.400 . 1 . . . . 69 VAL CA . 19768 1 622 . 1 1 69 69 VAL CB C 13 33.775 0.400 . 1 . . . . 69 VAL CB . 19768 1 623 . 1 1 69 69 VAL CG1 C 13 20.664 0.400 . 1 . . . . 69 VAL CG1 . 19768 1 624 . 1 1 69 69 VAL CG2 C 13 20.941 0.400 . 1 . . . . 69 VAL CG2 . 19768 1 625 . 1 1 69 69 VAL N N 15 130.832 0.400 . 1 . . . . 69 VAL N . 19768 1 626 . 1 1 70 70 ASN H H 1 9.107 0.020 . 1 . . . . 70 ASN H . 19768 1 627 . 1 1 70 70 ASN HA H 1 4.120 0.020 . 1 . . . . 70 ASN HA . 19768 1 628 . 1 1 70 70 ASN HB2 H 1 2.878 0.020 . 2 . . . . 70 ASN HB2 . 19768 1 629 . 1 1 70 70 ASN HB3 H 1 2.694 0.020 . 2 . . . . 70 ASN HB3 . 19768 1 630 . 1 1 70 70 ASN C C 13 174.097 0.400 . 1 . . . . 70 ASN C . 19768 1 631 . 1 1 70 70 ASN CA C 13 54.731 0.400 . 1 . . . . 70 ASN CA . 19768 1 632 . 1 1 70 70 ASN CB C 13 36.994 0.400 . 1 . . . . 70 ASN CB . 19768 1 633 . 1 1 70 70 ASN N N 15 126.070 0.400 . 1 . . . . 70 ASN N . 19768 1 634 . 1 1 71 71 ASP H H 1 8.061 0.020 . 1 . . . . 71 ASP H . 19768 1 635 . 1 1 71 71 ASP HA H 1 4.131 0.020 . 1 . . . . 71 ASP HA . 19768 1 636 . 1 1 71 71 ASP HB2 H 1 3.103 0.020 . 2 . . . . 71 ASP HB2 . 19768 1 637 . 1 1 71 71 ASP HB3 H 1 2.915 0.020 . 2 . . . . 71 ASP HB3 . 19768 1 638 . 1 1 71 71 ASP C C 13 175.683 0.400 . 1 . . . . 71 ASP C . 19768 1 639 . 1 1 71 71 ASP CA C 13 55.965 0.400 . 1 . . . . 71 ASP CA . 19768 1 640 . 1 1 71 71 ASP CB C 13 39.055 0.400 . 1 . . . . 71 ASP CB . 19768 1 641 . 1 1 71 71 ASP N N 15 108.031 0.400 . 1 . . . . 71 ASP N . 19768 1 642 . 1 1 72 72 VAL H H 1 7.425 0.020 . 1 . . . . 72 VAL H . 19768 1 643 . 1 1 72 72 VAL HA H 1 4.877 0.020 . 1 . . . . 72 VAL HA . 19768 1 644 . 1 1 72 72 VAL HB H 1 1.585 0.020 . 1 . . . . 72 VAL HB . 19768 1 645 . 1 1 72 72 VAL HG11 H 1 0.676 0.020 . 2 . . . . 72 VAL HG1 . 19768 1 646 . 1 1 72 72 VAL HG12 H 1 0.676 0.020 . 2 . . . . 72 VAL HG1 . 19768 1 647 . 1 1 72 72 VAL HG13 H 1 0.676 0.020 . 2 . . . . 72 VAL HG1 . 19768 1 648 . 1 1 72 72 VAL C C 13 177.450 0.400 . 1 . . . . 72 VAL C . 19768 1 649 . 1 1 72 72 VAL CA C 13 60.186 0.400 . 1 . . . . 72 VAL CA . 19768 1 650 . 1 1 72 72 VAL CB C 13 36.593 0.400 . 1 . . . . 72 VAL CB . 19768 1 651 . 1 1 72 72 VAL CG1 C 13 20.015 0.400 . 1 . . . . 72 VAL CG1 . 19768 1 652 . 1 1 72 72 VAL CG2 C 13 22.139 0.400 . 1 . . . . 72 VAL CG2 . 19768 1 653 . 1 1 72 72 VAL N N 15 114.624 0.400 . 1 . . . . 72 VAL N . 19768 1 654 . 1 1 73 73 CYS H H 1 8.529 0.020 . 1 . . . . 73 CYS H . 19768 1 655 . 1 1 73 73 CYS HA H 1 4.995 0.020 . 1 . . . . 73 CYS HA . 19768 1 656 . 1 1 73 73 CYS HB2 H 1 2.955 0.020 . 2 . . . . 73 CYS HB2 . 19768 1 657 . 1 1 73 73 CYS HB3 H 1 2.601 0.020 . 2 . . . . 73 CYS HB3 . 19768 1 658 . 1 1 73 73 CYS C C 13 176.345 0.400 . 1 . . . . 73 CYS C . 19768 1 659 . 1 1 73 73 CYS CA C 13 55.111 0.400 . 1 . . . . 73 CYS CA . 19768 1 660 . 1 1 73 73 CYS CB C 13 37.619 0.400 . 1 . . . . 73 CYS CB . 19768 1 661 . 1 1 73 73 CYS N N 15 124.698 0.400 . 1 . . . . 73 CYS N . 19768 1 662 . 1 1 74 74 THR H H 1 9.746 0.020 . 1 . . . . 74 THR H . 19768 1 663 . 1 1 74 74 THR HA H 1 4.580 0.020 . 1 . . . . 74 THR HA . 19768 1 664 . 1 1 74 74 THR HB H 1 3.769 0.020 . 1 . . . . 74 THR HB . 19768 1 665 . 1 1 74 74 THR HG21 H 1 1.201 0.020 . 1 . . . . 74 THR HG2 . 19768 1 666 . 1 1 74 74 THR HG22 H 1 1.201 0.020 . 1 . . . . 74 THR HG2 . 19768 1 667 . 1 1 74 74 THR HG23 H 1 1.201 0.020 . 1 . . . . 74 THR HG2 . 19768 1 668 . 1 1 74 74 THR C C 13 176.455 0.400 . 1 . . . . 74 THR C . 19768 1 669 . 1 1 74 74 THR CA C 13 62.015 0.400 . 1 . . . . 74 THR CA . 19768 1 670 . 1 1 74 74 THR CB C 13 72.316 0.400 . 1 . . . . 74 THR CB . 19768 1 671 . 1 1 74 74 THR CG2 C 13 19.956 0.400 . 1 . . . . 74 THR CG2 . 19768 1 672 . 1 1 74 74 THR N N 15 123.603 0.400 . 1 . . . . 74 THR N . 19768 1 673 . 1 1 75 75 THR H H 1 8.475 0.020 . 1 . . . . 75 THR H . 19768 1 674 . 1 1 75 75 THR HA H 1 4.120 0.020 . 1 . . . . 75 THR HA . 19768 1 675 . 1 1 75 75 THR HB H 1 4.252 0.020 . 1 . . . . 75 THR HB . 19768 1 676 . 1 1 75 75 THR HG21 H 1 1.242 0.020 . 1 . . . . 75 THR HG2 . 19768 1 677 . 1 1 75 75 THR HG22 H 1 1.242 0.020 . 1 . . . . 75 THR HG2 . 19768 1 678 . 1 1 75 75 THR HG23 H 1 1.242 0.020 . 1 . . . . 75 THR HG2 . 19768 1 679 . 1 1 75 75 THR C C 13 174.464 0.400 . 1 . . . . 75 THR C . 19768 1 680 . 1 1 75 75 THR CA C 13 62.694 0.400 . 1 . . . . 75 THR CA . 19768 1 681 . 1 1 75 75 THR CB C 13 69.644 0.400 . 1 . . . . 75 THR CB . 19768 1 682 . 1 1 75 75 THR CG2 C 13 22.701 0.400 . 1 . . . . 75 THR CG2 . 19768 1 683 . 1 1 75 75 THR N N 15 119.333 0.400 . 1 . . . . 75 THR N . 19768 1 684 . 1 1 76 76 MET H H 1 8.118 0.020 . 1 . . . . 76 MET H . 19768 1 685 . 1 1 76 76 MET C C 13 176.973 0.400 . 1 . . . . 76 MET C . 19768 1 686 . 1 1 76 76 MET CA C 13 56.767 0.400 . 1 . . . . 76 MET CA . 19768 1 687 . 1 1 76 76 MET CB C 13 32.424 0.400 . 1 . . . . 76 MET CB . 19768 1 688 . 1 1 76 76 MET N N 15 122.325 0.400 . 1 . . . . 76 MET N . 19768 1 689 . 1 1 77 77 GLU H H 1 8.535 0.020 . 1 . . . . 77 GLU H . 19768 1 690 . 1 1 77 77 GLU HA H 1 4.033 0.020 . 1 . . . . 77 GLU HA . 19768 1 691 . 1 1 77 77 GLU HB2 H 1 1.842 0.020 . 2 . . . . 77 GLU HB2 . 19768 1 692 . 1 1 77 77 GLU HB3 H 1 1.842 0.020 . 2 . . . . 77 GLU HB3 . 19768 1 693 . 1 1 77 77 GLU HG2 H 1 2.141 0.020 . 2 . . . . 77 GLU HG2 . 19768 1 694 . 1 1 77 77 GLU HG3 H 1 2.141 0.020 . 2 . . . . 77 GLU HG3 . 19768 1 695 . 1 1 77 77 GLU C C 13 176.783 0.400 . 1 . . . . 77 GLU C . 19768 1 696 . 1 1 77 77 GLU CA C 13 57.812 0.400 . 1 . . . . 77 GLU CA . 19768 1 697 . 1 1 77 77 GLU CB C 13 29.730 0.400 . 1 . . . . 77 GLU CB . 19768 1 698 . 1 1 77 77 GLU N N 15 120.939 0.400 . 1 . . . . 77 GLU N . 19768 1 699 . 1 1 78 78 ASP H H 1 7.874 0.020 . 1 . . . . 78 ASP H . 19768 1 700 . 1 1 78 78 ASP HA H 1 4.452 0.020 . 1 . . . . 78 ASP HA . 19768 1 701 . 1 1 78 78 ASP HB2 H 1 2.526 0.020 . 2 . . . . 78 ASP HB2 . 19768 1 702 . 1 1 78 78 ASP HB3 H 1 2.526 0.020 . 2 . . . . 78 ASP HB3 . 19768 1 703 . 1 1 78 78 ASP C C 13 176.272 0.400 . 1 . . . . 78 ASP C . 19768 1 704 . 1 1 78 78 ASP CA C 13 54.514 0.400 . 1 . . . . 78 ASP CA . 19768 1 705 . 1 1 78 78 ASP CB C 13 40.814 0.400 . 1 . . . . 78 ASP CB . 19768 1 706 . 1 1 78 78 ASP N N 15 120.258 0.400 . 1 . . . . 78 ASP N . 19768 1 707 . 1 1 79 79 ALA H H 1 7.969 0.020 . 1 . . . . 79 ALA H . 19768 1 708 . 1 1 79 79 ALA HA H 1 4.174 0.020 . 1 . . . . 79 ALA HA . 19768 1 709 . 1 1 79 79 ALA HB1 H 1 1.256 0.020 . 1 . . . . 79 ALA HB . 19768 1 710 . 1 1 79 79 ALA HB2 H 1 1.256 0.020 . 1 . . . . 79 ALA HB . 19768 1 711 . 1 1 79 79 ALA HB3 H 1 1.256 0.020 . 1 . . . . 79 ALA HB . 19768 1 712 . 1 1 79 79 ALA C C 13 177.596 0.400 . 1 . . . . 79 ALA C . 19768 1 713 . 1 1 79 79 ALA CA C 13 52.570 0.400 . 1 . . . . 79 ALA CA . 19768 1 714 . 1 1 79 79 ALA CB C 13 19.565 0.400 . 1 . . . . 79 ALA CB . 19768 1 715 . 1 1 79 79 ALA N N 15 123.298 0.400 . 1 . . . . 79 ALA N . 19768 1 716 . 1 1 80 80 THR H H 1 7.832 0.020 . 1 . . . . 80 THR H . 19768 1 717 . 1 1 80 80 THR HA H 1 4.220 0.020 . 1 . . . . 80 THR HA . 19768 1 718 . 1 1 80 80 THR HB H 1 4.062 0.020 . 1 . . . . 80 THR HB . 19768 1 719 . 1 1 80 80 THR HG21 H 1 1.115 0.020 . 1 . . . . 80 THR HG2 . 19768 1 720 . 1 1 80 80 THR HG22 H 1 1.115 0.020 . 1 . . . . 80 THR HG2 . 19768 1 721 . 1 1 80 80 THR HG23 H 1 1.115 0.020 . 1 . . . . 80 THR HG2 . 19768 1 722 . 1 1 80 80 THR CA C 13 62.153 0.400 . 1 . . . . 80 THR CA . 19768 1 723 . 1 1 80 80 THR CB C 13 69.435 0.400 . 1 . . . . 80 THR CB . 19768 1 724 . 1 1 80 80 THR N N 15 115.684 0.400 . 1 . . . . 80 THR N . 19768 1 725 . 1 1 81 81 PRO C C 13 177.205 0.400 . 1 . . . . 81 PRO C . 19768 1 726 . 1 1 81 81 PRO CA C 13 63.599 0.400 . 1 . . . . 81 PRO CA . 19768 1 727 . 1 1 81 81 PRO CB C 13 31.759 0.400 . 1 . . . . 81 PRO CB . 19768 1 728 . 1 1 82 82 ILE H H 1 7.756 0.020 . 1 . . . . 82 ILE H . 19768 1 729 . 1 1 82 82 ILE HA H 1 3.979 0.020 . 1 . . . . 82 ILE HA . 19768 1 730 . 1 1 82 82 ILE HB H 1 1.632 0.020 . 1 . . . . 82 ILE HB . 19768 1 731 . 1 1 82 82 ILE HG12 H 1 1.183 0.020 . 2 . . . . 82 ILE HG12 . 19768 1 732 . 1 1 82 82 ILE HG13 H 1 0.978 0.020 . 2 . . . . 82 ILE HG13 . 19768 1 733 . 1 1 82 82 ILE HG21 H 1 0.621 0.020 . 1 . . . . 82 ILE HG2 . 19768 1 734 . 1 1 82 82 ILE HG22 H 1 0.621 0.020 . 1 . . . . 82 ILE HG2 . 19768 1 735 . 1 1 82 82 ILE HG23 H 1 0.621 0.020 . 1 . . . . 82 ILE HG2 . 19768 1 736 . 1 1 82 82 ILE HD11 H 1 0.652 0.020 . 1 . . . . 82 ILE HD1 . 19768 1 737 . 1 1 82 82 ILE HD12 H 1 0.652 0.020 . 1 . . . . 82 ILE HD1 . 19768 1 738 . 1 1 82 82 ILE HD13 H 1 0.652 0.020 . 1 . . . . 82 ILE HD1 . 19768 1 739 . 1 1 82 82 ILE C C 13 176.722 0.400 . 1 . . . . 82 ILE C . 19768 1 740 . 1 1 82 82 ILE CA C 13 61.615 0.400 . 1 . . . . 82 ILE CA . 19768 1 741 . 1 1 82 82 ILE CB C 13 38.542 0.400 . 1 . . . . 82 ILE CB . 19768 1 742 . 1 1 82 82 ILE CG1 C 13 26.951 0.400 . 1 . . . . 82 ILE CG1 . 19768 1 743 . 1 1 82 82 ILE CG2 C 13 17.311 0.400 . 1 . . . . 82 ILE CG2 . 19768 1 744 . 1 1 82 82 ILE CD1 C 13 12.868 0.400 . 1 . . . . 82 ILE CD1 . 19768 1 745 . 1 1 82 82 ILE N N 15 120.386 0.400 . 1 . . . . 82 ILE N . 19768 1 746 . 1 1 83 83 LEU H H 1 8.049 0.020 . 1 . . . . 83 LEU H . 19768 1 747 . 1 1 83 83 LEU HA H 1 4.162 0.020 . 1 . . . . 83 LEU HA . 19768 1 748 . 1 1 83 83 LEU HB2 H 1 1.536 0.020 . 2 . . . . 83 LEU HB2 . 19768 1 749 . 1 1 83 83 LEU HB3 H 1 1.425 0.020 . 2 . . . . 83 LEU HB3 . 19768 1 750 . 1 1 83 83 LEU HG H 1 1.284 0.020 . 1 . . . . 83 LEU HG . 19768 1 751 . 1 1 83 83 LEU HD11 H 1 0.741 0.020 . 2 . . . . 83 LEU HD1 . 19768 1 752 . 1 1 83 83 LEU HD12 H 1 0.741 0.020 . 2 . . . . 83 LEU HD1 . 19768 1 753 . 1 1 83 83 LEU HD13 H 1 0.741 0.020 . 2 . . . . 83 LEU HD1 . 19768 1 754 . 1 1 83 83 LEU HD21 H 1 0.691 0.020 . 2 . . . . 83 LEU HD2 . 19768 1 755 . 1 1 83 83 LEU HD22 H 1 0.691 0.020 . 2 . . . . 83 LEU HD2 . 19768 1 756 . 1 1 83 83 LEU HD23 H 1 0.691 0.020 . 2 . . . . 83 LEU HD2 . 19768 1 757 . 1 1 83 83 LEU C C 13 177.647 0.400 . 1 . . . . 83 LEU C . 19768 1 758 . 1 1 83 83 LEU CA C 13 55.544 0.400 . 1 . . . . 83 LEU CA . 19768 1 759 . 1 1 83 83 LEU CB C 13 41.624 0.400 . 1 . . . . 83 LEU CB . 19768 1 760 . 1 1 83 83 LEU CD1 C 13 22.773 0.400 . 1 . . . . 83 LEU CD1 . 19768 1 761 . 1 1 83 83 LEU N N 15 124.736 0.400 . 1 . . . . 83 LEU N . 19768 1 762 . 1 1 84 84 GLU H H 1 8.239 0.020 . 1 . . . . 84 GLU H . 19768 1 763 . 1 1 84 84 GLU HA H 1 4.080 0.020 . 1 . . . . 84 GLU HA . 19768 1 764 . 1 1 84 84 GLU HB2 H 1 1.875 0.020 . 2 . . . . 84 GLU HB2 . 19768 1 765 . 1 1 84 84 GLU HB3 H 1 1.875 0.020 . 2 . . . . 84 GLU HB3 . 19768 1 766 . 1 1 84 84 GLU HG2 H 1 2.181 0.020 . 2 . . . . 84 GLU HG2 . 19768 1 767 . 1 1 84 84 GLU HG3 H 1 2.103 0.020 . 2 . . . . 84 GLU HG3 . 19768 1 768 . 1 1 84 84 GLU C C 13 176.590 0.400 . 1 . . . . 84 GLU C . 19768 1 769 . 1 1 84 84 GLU CA C 13 57.049 0.400 . 1 . . . . 84 GLU CA . 19768 1 770 . 1 1 84 84 GLU CB C 13 29.960 0.400 . 1 . . . . 84 GLU CB . 19768 1 771 . 1 1 84 84 GLU CG C 13 35.834 0.400 . 1 . . . . 84 GLU CG . 19768 1 772 . 1 1 84 84 GLU N N 15 120.574 0.400 . 1 . . . . 84 GLU N . 19768 1 773 . 1 1 85 85 ARG H H 1 7.878 0.020 . 1 . . . . 85 ARG H . 19768 1 774 . 1 1 85 85 ARG HA H 1 4.177 0.020 . 1 . . . . 85 ARG HA . 19768 1 775 . 1 1 85 85 ARG HB2 H 1 1.754 0.020 . 2 . . . . 85 ARG HB2 . 19768 1 776 . 1 1 85 85 ARG HB3 H 1 1.704 0.020 . 2 . . . . 85 ARG HB3 . 19768 1 777 . 1 1 85 85 ARG HG2 H 1 1.538 0.020 . 2 . . . . 85 ARG HG2 . 19768 1 778 . 1 1 85 85 ARG HG3 H 1 1.538 0.020 . 2 . . . . 85 ARG HG3 . 19768 1 779 . 1 1 85 85 ARG CA C 13 56.347 0.400 . 1 . . . . 85 ARG CA . 19768 1 780 . 1 1 85 85 ARG CB C 13 30.684 0.400 . 1 . . . . 85 ARG CB . 19768 1 781 . 1 1 85 85 ARG N N 15 121.015 0.400 . 1 . . . . 85 ARG N . 19768 1 782 . 1 1 88 88 ASP C C 13 176.434 0.400 . 1 . . . . 88 ASP C . 19768 1 783 . 1 1 88 88 ASP CA C 13 54.326 0.400 . 1 . . . . 88 ASP CA . 19768 1 784 . 1 1 88 88 ASP CB C 13 41.165 0.400 . 1 . . . . 88 ASP CB . 19768 1 785 . 1 1 89 89 GLU H H 1 8.134 0.020 . 1 . . . . 89 GLU H . 19768 1 786 . 1 1 89 89 GLU HA H 1 4.148 0.020 . 1 . . . . 89 GLU HA . 19768 1 787 . 1 1 89 89 GLU HB2 H 1 1.948 0.020 . 2 . . . . 89 GLU HB2 . 19768 1 788 . 1 1 89 89 GLU HB3 H 1 1.846 0.020 . 2 . . . . 89 GLU HB3 . 19768 1 789 . 1 1 89 89 GLU HG2 H 1 2.144 0.020 . 2 . . . . 89 GLU HG2 . 19768 1 790 . 1 1 89 89 GLU HG3 H 1 2.145 0.020 . 2 . . . . 89 GLU HG3 . 19768 1 791 . 1 1 89 89 GLU C C 13 176.712 0.400 . 1 . . . . 89 GLU C . 19768 1 792 . 1 1 89 89 GLU CA C 13 56.825 0.400 . 1 . . . . 89 GLU CA . 19768 1 793 . 1 1 89 89 GLU CB C 13 30.167 0.400 . 1 . . . . 89 GLU CB . 19768 1 794 . 1 1 89 89 GLU CG C 13 36.081 0.400 . 1 . . . . 89 GLU CG . 19768 1 795 . 1 1 89 89 GLU N N 15 120.918 0.400 . 1 . . . . 89 GLU N . 19768 1 796 . 1 1 90 90 GLN H H 1 8.210 0.020 . 1 . . . . 90 GLN H . 19768 1 797 . 1 1 90 90 GLN HA H 1 4.185 0.020 . 1 . . . . 90 GLN HA . 19768 1 798 . 1 1 90 90 GLN HB2 H 1 2.029 0.020 . 2 . . . . 90 GLN HB2 . 19768 1 799 . 1 1 90 90 GLN HB3 H 1 1.897 0.020 . 2 . . . . 90 GLN HB3 . 19768 1 800 . 1 1 90 90 GLN HG2 H 1 2.248 0.020 . 2 . . . . 90 GLN HG2 . 19768 1 801 . 1 1 90 90 GLN HG3 H 1 2.248 0.020 . 2 . . . . 90 GLN HG3 . 19768 1 802 . 1 1 90 90 GLN C C 13 175.902 0.400 . 1 . . . . 90 GLN C . 19768 1 803 . 1 1 90 90 GLN CA C 13 55.872 0.400 . 1 . . . . 90 GLN CA . 19768 1 804 . 1 1 90 90 GLN CB C 13 29.261 0.400 . 1 . . . . 90 GLN CB . 19768 1 805 . 1 1 90 90 GLN CG C 13 33.928 0.400 . 1 . . . . 90 GLN CG . 19768 1 806 . 1 1 90 90 GLN N N 15 120.489 0.400 . 1 . . . . 90 GLN N . 19768 1 807 . 1 1 91 91 ASP H H 1 8.186 0.020 . 1 . . . . 91 ASP H . 19768 1 808 . 1 1 91 91 ASP HA H 1 4.516 0.020 . 1 . . . . 91 ASP HA . 19768 1 809 . 1 1 91 91 ASP HB2 H 1 2.611 0.020 . 2 . . . . 91 ASP HB2 . 19768 1 810 . 1 1 91 91 ASP HB3 H 1 2.611 0.020 . 2 . . . . 91 ASP HB3 . 19768 1 811 . 1 1 91 91 ASP C C 13 176.847 0.400 . 1 . . . . 91 ASP C . 19768 1 812 . 1 1 91 91 ASP CA C 13 54.338 0.400 . 1 . . . . 91 ASP CA . 19768 1 813 . 1 1 91 91 ASP CB C 13 41.150 0.400 . 1 . . . . 91 ASP CB . 19768 1 814 . 1 1 91 91 ASP N N 15 121.255 0.400 . 1 . . . . 91 ASP N . 19768 1 815 . 1 1 92 92 GLY H H 1 8.212 0.020 . 1 . . . . 92 GLY H . 19768 1 816 . 1 1 92 92 GLY HA2 H 1 3.872 0.020 . 2 . . . . 92 GLY HA2 . 19768 1 817 . 1 1 92 92 GLY HA3 H 1 3.872 0.020 . 2 . . . . 92 GLY HA3 . 19768 1 818 . 1 1 92 92 GLY C C 13 174.698 0.400 . 1 . . . . 92 GLY C . 19768 1 819 . 1 1 92 92 GLY CA C 13 45.449 0.400 . 1 . . . . 92 GLY CA . 19768 1 820 . 1 1 92 92 GLY N N 15 109.598 0.400 . 1 . . . . 92 GLY N . 19768 1 821 . 1 1 93 93 THR H H 1 7.952 0.020 . 1 . . . . 93 THR H . 19768 1 822 . 1 1 93 93 THR HA H 1 4.141 0.020 . 1 . . . . 93 THR HA . 19768 1 823 . 1 1 93 93 THR HB H 1 4.043 0.020 . 1 . . . . 93 THR HB . 19768 1 824 . 1 1 93 93 THR HG21 H 1 1.031 0.020 . 1 . . . . 93 THR HG2 . 19768 1 825 . 1 1 93 93 THR HG22 H 1 1.031 0.020 . 1 . . . . 93 THR HG2 . 19768 1 826 . 1 1 93 93 THR HG23 H 1 1.031 0.020 . 1 . . . . 93 THR HG2 . 19768 1 827 . 1 1 93 93 THR C C 13 176.223 0.400 . 1 . . . . 93 THR C . 19768 1 828 . 1 1 93 93 THR CA C 13 62.410 0.400 . 1 . . . . 93 THR CA . 19768 1 829 . 1 1 93 93 THR CB C 13 69.644 0.400 . 1 . . . . 93 THR CB . 19768 1 830 . 1 1 93 93 THR CG2 C 13 21.353 0.400 . 1 . . . . 93 THR CG2 . 19768 1 831 . 1 1 93 93 THR N N 15 113.429 0.400 . 1 . . . . 93 THR N . 19768 1 832 . 1 1 94 94 HIS H H 1 8.296 0.020 . 1 . . . . 94 HIS H . 19768 1 833 . 1 1 94 94 HIS C C 13 174.942 0.400 . 1 . . . . 94 HIS C . 19768 1 834 . 1 1 94 94 HIS CA C 13 55.625 0.400 . 1 . . . . 94 HIS CA . 19768 1 835 . 1 1 94 94 HIS CB C 13 30.000 0.400 . 1 . . . . 94 HIS CB . 19768 1 836 . 1 1 94 94 HIS N N 15 124.575 0.400 . 1 . . . . 94 HIS N . 19768 1 837 . 1 1 95 95 ALA H H 1 8.025 0.020 . 1 . . . . 95 ALA H . 19768 1 838 . 1 1 95 95 ALA HA H 1 4.215 0.020 . 1 . . . . 95 ALA HA . 19768 1 839 . 1 1 95 95 ALA HB1 H 1 1.282 0.020 . 1 . . . . 95 ALA HB . 19768 1 840 . 1 1 95 95 ALA HB2 H 1 1.282 0.020 . 1 . . . . 95 ALA HB . 19768 1 841 . 1 1 95 95 ALA HB3 H 1 1.282 0.020 . 1 . . . . 95 ALA HB . 19768 1 842 . 1 1 95 95 ALA C C 13 177.599 0.400 . 1 . . . . 95 ALA C . 19768 1 843 . 1 1 95 95 ALA CA C 13 52.457 0.400 . 1 . . . . 95 ALA CA . 19768 1 844 . 1 1 95 95 ALA CB C 13 19.294 0.400 . 1 . . . . 95 ALA CB . 19768 1 845 . 1 1 95 95 ALA N N 15 124.333 0.400 . 1 . . . . 95 ALA N . 19768 1 846 . 1 1 96 96 GLU H H 1 8.407 0.020 . 1 . . . . 96 GLU H . 19768 1 847 . 1 1 96 96 GLU HA H 1 4.169 0.020 . 1 . . . . 96 GLU HA . 19768 1 848 . 1 1 96 96 GLU HB2 H 1 1.970 0.020 . 2 . . . . 96 GLU HB2 . 19768 1 849 . 1 1 96 96 GLU HB3 H 1 1.861 0.020 . 2 . . . . 96 GLU HB3 . 19768 1 850 . 1 1 96 96 GLU HG2 H 1 2.179 0.020 . 2 . . . . 96 GLU HG2 . 19768 1 851 . 1 1 96 96 GLU HG3 H 1 2.183 0.020 . 2 . . . . 96 GLU HG3 . 19768 1 852 . 1 1 96 96 GLU C C 13 177.106 0.400 . 1 . . . . 96 GLU C . 19768 1 853 . 1 1 96 96 GLU CA C 13 56.743 0.400 . 1 . . . . 96 GLU CA . 19768 1 854 . 1 1 96 96 GLU CB C 13 30.167 0.400 . 1 . . . . 96 GLU CB . 19768 1 855 . 1 1 96 96 GLU CG C 13 35.852 0.400 . 1 . . . . 96 GLU CG . 19768 1 856 . 1 1 96 96 GLU N N 15 120.829 0.400 . 1 . . . . 96 GLU N . 19768 1 857 . 1 1 97 97 GLY H H 1 8.307 0.020 . 1 . . . . 97 GLY H . 19768 1 858 . 1 1 97 97 GLY HA2 H 1 3.917 0.020 . 2 . . . . 97 GLY HA2 . 19768 1 859 . 1 1 97 97 GLY HA3 H 1 3.917 0.020 . 2 . . . . 97 GLY HA3 . 19768 1 860 . 1 1 97 97 GLY C C 13 174.549 0.400 . 1 . . . . 97 GLY C . 19768 1 861 . 1 1 97 97 GLY CA C 13 45.318 0.400 . 1 . . . . 97 GLY CA . 19768 1 862 . 1 1 97 97 GLY N N 15 110.020 0.400 . 1 . . . . 97 GLY N . 19768 1 863 . 1 1 98 98 THR H H 1 7.942 0.020 . 1 . . . . 98 THR H . 19768 1 864 . 1 1 98 98 THR HA H 1 4.324 0.020 . 1 . . . . 98 THR HA . 19768 1 865 . 1 1 98 98 THR HB H 1 4.167 0.020 . 1 . . . . 98 THR HB . 19768 1 866 . 1 1 98 98 THR HG21 H 1 1.073 0.020 . 1 . . . . 98 THR HG2 . 19768 1 867 . 1 1 98 98 THR HG22 H 1 1.073 0.020 . 1 . . . . 98 THR HG2 . 19768 1 868 . 1 1 98 98 THR HG23 H 1 1.073 0.020 . 1 . . . . 98 THR HG2 . 19768 1 869 . 1 1 98 98 THR C C 13 175.047 0.400 . 1 . . . . 98 THR C . 19768 1 870 . 1 1 98 98 THR CA C 13 61.621 0.400 . 1 . . . . 98 THR CA . 19768 1 871 . 1 1 98 98 THR CB C 13 69.821 0.400 . 1 . . . . 98 THR CB . 19768 1 872 . 1 1 98 98 THR CG2 C 13 20.993 0.400 . 1 . . . . 98 THR CG2 . 19768 1 873 . 1 1 98 98 THR N N 15 113.203 0.400 . 1 . . . . 98 THR N . 19768 1 874 . 1 1 99 99 THR H H 1 8.042 0.020 . 1 . . . . 99 THR H . 19768 1 875 . 1 1 99 99 THR HA H 1 4.212 0.020 . 1 . . . . 99 THR HA . 19768 1 876 . 1 1 99 99 THR HB H 1 4.097 0.020 . 1 . . . . 99 THR HB . 19768 1 877 . 1 1 99 99 THR HG21 H 1 1.074 0.020 . 1 . . . . 99 THR HG2 . 19768 1 878 . 1 1 99 99 THR HG22 H 1 1.074 0.020 . 1 . . . . 99 THR HG2 . 19768 1 879 . 1 1 99 99 THR HG23 H 1 1.074 0.020 . 1 . . . . 99 THR HG2 . 19768 1 880 . 1 1 99 99 THR C C 13 175.032 0.400 . 1 . . . . 99 THR C . 19768 1 881 . 1 1 99 99 THR CA C 13 62.026 0.400 . 1 . . . . 99 THR CA . 19768 1 882 . 1 1 99 99 THR CB C 13 69.576 0.400 . 1 . . . . 99 THR CB . 19768 1 883 . 1 1 99 99 THR CG2 C 13 21.513 0.400 . 1 . . . . 99 THR CG2 . 19768 1 884 . 1 1 99 99 THR N N 15 115.808 0.400 . 1 . . . . 99 THR N . 19768 1 885 . 1 1 100 100 GLY H H 1 8.228 0.020 . 1 . . . . 100 GLY H . 19768 1 886 . 1 1 100 100 GLY HA2 H 1 3.784 0.020 . 2 . . . . 100 GLY HA2 . 19768 1 887 . 1 1 100 100 GLY HA3 H 1 3.784 0.020 . 2 . . . . 100 GLY HA3 . 19768 1 888 . 1 1 100 100 GLY C C 13 173.434 0.400 . 1 . . . . 100 GLY C . 19768 1 889 . 1 1 100 100 GLY CA C 13 44.992 0.400 . 1 . . . . 100 GLY CA . 19768 1 890 . 1 1 100 100 GLY N N 15 111.058 0.400 . 1 . . . . 100 GLY N . 19768 1 891 . 1 1 101 101 HIS H H 1 8.019 0.020 . 1 . . . . 101 HIS H . 19768 1 892 . 1 1 101 101 HIS HA H 1 4.826 0.020 . 1 . . . . 101 HIS HA . 19768 1 893 . 1 1 101 101 HIS HB2 H 1 3.075 0.020 . 2 . . . . 101 HIS HB2 . 19768 1 894 . 1 1 101 101 HIS HB3 H 1 2.950 0.020 . 2 . . . . 101 HIS HB3 . 19768 1 895 . 1 1 101 101 HIS CA C 13 53.484 0.400 . 1 . . . . 101 HIS CA . 19768 1 896 . 1 1 101 101 HIS CB C 13 29.394 0.400 . 1 . . . . 101 HIS CB . 19768 1 897 . 1 1 101 101 HIS N N 15 119.396 0.400 . 1 . . . . 101 HIS N . 19768 1 898 . 1 1 102 102 PRO HA H 1 4.377 0.020 . 1 . . . . 102 PRO HA . 19768 1 899 . 1 1 102 102 PRO HB2 H 1 2.176 0.020 . 2 . . . . 102 PRO HB2 . 19768 1 900 . 1 1 102 102 PRO HB3 H 1 1.780 0.020 . 2 . . . . 102 PRO HB3 . 19768 1 901 . 1 1 102 102 PRO HG2 H 1 1.874 0.020 . 2 . . . . 102 PRO HG2 . 19768 1 902 . 1 1 102 102 PRO HG3 H 1 1.874 0.020 . 2 . . . . 102 PRO HG3 . 19768 1 903 . 1 1 102 102 PRO HD2 H 1 3.593 0.020 . 2 . . . . 102 PRO HD2 . 19768 1 904 . 1 1 102 102 PRO HD3 H 1 3.473 0.020 . 2 . . . . 102 PRO HD3 . 19768 1 905 . 1 1 102 102 PRO C C 13 176.962 0.400 . 1 . . . . 102 PRO C . 19768 1 906 . 1 1 102 102 PRO CA C 13 63.153 0.400 . 1 . . . . 102 PRO CA . 19768 1 907 . 1 1 102 102 PRO CB C 13 32.014 0.400 . 1 . . . . 102 PRO CB . 19768 1 908 . 1 1 102 102 PRO CG C 13 27.264 0.400 . 1 . . . . 102 PRO CG . 19768 1 909 . 1 1 102 102 PRO CD C 13 50.608 0.400 . 1 . . . . 102 PRO CD . 19768 1 910 . 1 1 103 103 VAL H H 1 8.188 0.020 . 1 . . . . 103 VAL H . 19768 1 911 . 1 1 103 103 VAL HA H 1 3.983 0.020 . 1 . . . . 103 VAL HA . 19768 1 912 . 1 1 103 103 VAL HB H 1 1.952 0.020 . 1 . . . . 103 VAL HB . 19768 1 913 . 1 1 103 103 VAL HG11 H 1 0.848 0.020 . 2 . . . . 103 VAL HG1 . 19768 1 914 . 1 1 103 103 VAL HG12 H 1 0.848 0.020 . 2 . . . . 103 VAL HG1 . 19768 1 915 . 1 1 103 103 VAL HG13 H 1 0.848 0.020 . 2 . . . . 103 VAL HG1 . 19768 1 916 . 1 1 103 103 VAL HG21 H 1 0.823 0.020 . 2 . . . . 103 VAL HG2 . 19768 1 917 . 1 1 103 103 VAL HG22 H 1 0.823 0.020 . 2 . . . . 103 VAL HG2 . 19768 1 918 . 1 1 103 103 VAL HG23 H 1 0.823 0.020 . 2 . . . . 103 VAL HG2 . 19768 1 919 . 1 1 103 103 VAL C C 13 176.238 0.400 . 1 . . . . 103 VAL C . 19768 1 920 . 1 1 103 103 VAL CA C 13 62.377 0.400 . 1 . . . . 103 VAL CA . 19768 1 921 . 1 1 103 103 VAL CB C 13 32.683 0.400 . 1 . . . . 103 VAL CB . 19768 1 922 . 1 1 103 103 VAL CG1 C 13 21.116 0.400 . 1 . . . . 103 VAL CG1 . 19768 1 923 . 1 1 103 103 VAL CG2 C 13 20.662 0.400 . 1 . . . . 103 VAL CG2 . 19768 1 924 . 1 1 103 103 VAL N N 15 120.876 0.400 . 1 . . . . 103 VAL N . 19768 1 925 . 1 1 104 104 GLN H H 1 8.294 0.020 . 1 . . . . 104 GLN H . 19768 1 926 . 1 1 104 104 GLN HA H 1 4.238 0.020 . 1 . . . . 104 GLN HA . 19768 1 927 . 1 1 104 104 GLN HB2 H 1 1.972 0.020 . 2 . . . . 104 GLN HB2 . 19768 1 928 . 1 1 104 104 GLN HB3 H 1 1.884 0.020 . 2 . . . . 104 GLN HB3 . 19768 1 929 . 1 1 104 104 GLN HG2 H 1 2.238 0.020 . 2 . . . . 104 GLN HG2 . 19768 1 930 . 1 1 104 104 GLN HG3 H 1 2.239 0.020 . 2 . . . . 104 GLN HG3 . 19768 1 931 . 1 1 104 104 GLN C C 13 175.819 0.400 . 1 . . . . 104 GLN C . 19768 1 932 . 1 1 104 104 GLN CA C 13 55.636 0.400 . 1 . . . . 104 GLN CA . 19768 1 933 . 1 1 104 104 GLN CB C 13 29.477 0.400 . 1 . . . . 104 GLN CB . 19768 1 934 . 1 1 104 104 GLN CG C 13 33.340 0.400 . 1 . . . . 104 GLN CG . 19768 1 935 . 1 1 104 104 GLN N N 15 124.005 0.400 . 1 . . . . 104 GLN N . 19768 1 936 . 1 1 105 105 GLU H H 1 8.332 0.020 . 1 . . . . 105 GLU H . 19768 1 937 . 1 1 105 105 GLU HA H 1 4.158 0.020 . 1 . . . . 105 GLU HA . 19768 1 938 . 1 1 105 105 GLU HB2 H 1 1.921 0.020 . 2 . . . . 105 GLU HB2 . 19768 1 939 . 1 1 105 105 GLU HB3 H 1 1.838 0.020 . 2 . . . . 105 GLU HB3 . 19768 1 940 . 1 1 105 105 GLU HG2 H 1 2.147 0.020 . 2 . . . . 105 GLU HG2 . 19768 1 941 . 1 1 105 105 GLU HG3 H 1 2.147 0.020 . 2 . . . . 105 GLU HG3 . 19768 1 942 . 1 1 105 105 GLU C C 13 176.111 0.400 . 1 . . . . 105 GLU C . 19768 1 943 . 1 1 105 105 GLU CA C 13 56.586 0.400 . 1 . . . . 105 GLU CA . 19768 1 944 . 1 1 105 105 GLU CB C 13 30.268 0.400 . 1 . . . . 105 GLU CB . 19768 1 945 . 1 1 105 105 GLU N N 15 122.599 0.400 . 1 . . . . 105 GLU N . 19768 1 946 . 1 1 106 106 ASN H H 1 8.345 0.020 . 1 . . . . 106 ASN H . 19768 1 947 . 1 1 106 106 ASN HA H 1 4.564 0.020 . 1 . . . . 106 ASN HA . 19768 1 948 . 1 1 106 106 ASN HB2 H 1 2.691 0.020 . 2 . . . . 106 ASN HB2 . 19768 1 949 . 1 1 106 106 ASN HB3 H 1 2.618 0.020 . 2 . . . . 106 ASN HB3 . 19768 1 950 . 1 1 106 106 ASN C C 13 173.971 0.400 . 1 . . . . 106 ASN C . 19768 1 951 . 1 1 106 106 ASN CA C 13 53.214 0.400 . 1 . . . . 106 ASN CA . 19768 1 952 . 1 1 106 106 ASN CB C 13 38.924 0.400 . 1 . . . . 106 ASN CB . 19768 1 953 . 1 1 106 106 ASN N N 15 119.653 0.400 . 1 . . . . 106 ASN N . 19768 1 954 . 1 1 107 107 GLN H H 1 7.826 0.020 . 1 . . . . 107 GLN H . 19768 1 955 . 1 1 107 107 GLN HA H 1 4.321 0.020 . 1 . . . . 107 GLN HA . 19768 1 956 . 1 1 107 107 GLN HB2 H 1 1.899 0.020 . 2 . . . . 107 GLN HB2 . 19768 1 957 . 1 1 107 107 GLN HB3 H 1 1.723 0.020 . 2 . . . . 107 GLN HB3 . 19768 1 958 . 1 1 107 107 GLN HG2 H 1 2.207 0.020 . 2 . . . . 107 GLN HG2 . 19768 1 959 . 1 1 107 107 GLN HG3 H 1 2.207 0.020 . 2 . . . . 107 GLN HG3 . 19768 1 960 . 1 1 107 107 GLN CA C 13 53.107 0.400 . 1 . . . . 107 GLN CA . 19768 1 961 . 1 1 107 107 GLN CB C 13 29.944 0.400 . 1 . . . . 107 GLN CB . 19768 1 962 . 1 1 107 107 GLN N N 15 118.953 0.400 . 1 . . . . 107 GLN N . 19768 1 963 . 1 1 108 108 PRO HA H 1 4.295 0.020 . 1 . . . . 108 PRO HA . 19768 1 964 . 1 1 108 108 PRO HB2 H 1 2.176 0.020 . 2 . . . . 108 PRO HB2 . 19768 1 965 . 1 1 108 108 PRO HB3 H 1 1.772 0.020 . 2 . . . . 108 PRO HB3 . 19768 1 966 . 1 1 108 108 PRO HG2 H 1 1.889 0.020 . 2 . . . . 108 PRO HG2 . 19768 1 967 . 1 1 108 108 PRO HG3 H 1 1.889 0.020 . 2 . . . . 108 PRO HG3 . 19768 1 968 . 1 1 108 108 PRO HD2 H 1 3.633 0.020 . 2 . . . . 108 PRO HD2 . 19768 1 969 . 1 1 108 108 PRO HD3 H 1 3.540 0.020 . 2 . . . . 108 PRO HD3 . 19768 1 970 . 1 1 108 108 PRO C C 13 176.824 0.400 . 1 . . . . 108 PRO C . 19768 1 971 . 1 1 108 108 PRO CA C 13 63.097 0.400 . 1 . . . . 108 PRO CA . 19768 1 972 . 1 1 108 108 PRO CB C 13 31.966 0.400 . 1 . . . . 108 PRO CB . 19768 1 973 . 1 1 108 108 PRO CG C 13 27.265 0.400 . 1 . . . . 108 PRO CG . 19768 1 974 . 1 1 108 108 PRO CD C 13 50.574 0.400 . 1 . . . . 108 PRO CD . 19768 1 975 . 1 1 109 109 LYS H H 1 8.248 0.020 . 1 . . . . 109 LYS H . 19768 1 976 . 1 1 109 109 LYS HA H 1 4.163 0.020 . 1 . . . . 109 LYS HA . 19768 1 977 . 1 1 109 109 LYS HB2 H 1 1.663 0.020 . 2 . . . . 109 LYS HB2 . 19768 1 978 . 1 1 109 109 LYS HB3 H 1 1.663 0.020 . 2 . . . . 109 LYS HB3 . 19768 1 979 . 1 1 109 109 LYS HG2 H 1 1.350 0.020 . 2 . . . . 109 LYS HG2 . 19768 1 980 . 1 1 109 109 LYS HG3 H 1 1.350 0.020 . 2 . . . . 109 LYS HG3 . 19768 1 981 . 1 1 109 109 LYS C C 13 176.558 0.400 . 1 . . . . 109 LYS C . 19768 1 982 . 1 1 109 109 LYS CA C 13 56.086 0.400 . 1 . . . . 109 LYS CA . 19768 1 983 . 1 1 109 109 LYS CB C 13 32.761 0.400 . 1 . . . . 109 LYS CB . 19768 1 984 . 1 1 109 109 LYS N N 15 121.625 0.400 . 1 . . . . 109 LYS N . 19768 1 985 . 1 1 110 110 ARG H H 1 8.107 0.020 . 1 . . . . 110 ARG H . 19768 1 986 . 1 1 110 110 ARG HA H 1 4.220 0.020 . 1 . . . . 110 ARG HA . 19768 1 987 . 1 1 110 110 ARG HB2 H 1 1.647 0.020 . 2 . . . . 110 ARG HB2 . 19768 1 988 . 1 1 110 110 ARG HB3 H 1 1.647 0.020 . 2 . . . . 110 ARG HB3 . 19768 1 989 . 1 1 110 110 ARG HG2 H 1 1.493 0.020 . 2 . . . . 110 ARG HG2 . 19768 1 990 . 1 1 110 110 ARG HG3 H 1 1.493 0.020 . 2 . . . . 110 ARG HG3 . 19768 1 991 . 1 1 110 110 ARG HD2 H 1 3.068 0.020 . 2 . . . . 110 ARG HD2 . 19768 1 992 . 1 1 110 110 ARG HD3 H 1 3.068 0.020 . 2 . . . . 110 ARG HD3 . 19768 1 993 . 1 1 110 110 ARG C C 13 175.911 0.400 . 1 . . . . 110 ARG C . 19768 1 994 . 1 1 110 110 ARG CA C 13 55.624 0.400 . 1 . . . . 110 ARG CA . 19768 1 995 . 1 1 110 110 ARG CB C 13 30.977 0.400 . 1 . . . . 110 ARG CB . 19768 1 996 . 1 1 110 110 ARG CG C 13 27.221 0.400 . 1 . . . . 110 ARG CG . 19768 1 997 . 1 1 110 110 ARG CD C 13 43.761 0.400 . 1 . . . . 110 ARG CD . 19768 1 998 . 1 1 110 110 ARG N N 15 122.396 0.400 . 1 . . . . 110 ARG N . 19768 1 999 . 1 1 111 111 LYS H H 1 8.246 0.020 . 1 . . . . 111 LYS H . 19768 1 1000 . 1 1 111 111 LYS HA H 1 4.466 0.020 . 1 . . . . 111 LYS HA . 19768 1 1001 . 1 1 111 111 LYS HB2 H 1 1.717 0.020 . 2 . . . . 111 LYS HB2 . 19768 1 1002 . 1 1 111 111 LYS HB3 H 1 1.604 0.020 . 2 . . . . 111 LYS HB3 . 19768 1 1003 . 1 1 111 111 LYS HG2 H 1 1.388 0.020 . 2 . . . . 111 LYS HG2 . 19768 1 1004 . 1 1 111 111 LYS HG3 H 1 1.351 0.020 . 2 . . . . 111 LYS HG3 . 19768 1 1005 . 1 1 111 111 LYS HD2 H 1 1.591 0.020 . 2 . . . . 111 LYS HD2 . 19768 1 1006 . 1 1 111 111 LYS HD3 H 1 1.591 0.020 . 2 . . . . 111 LYS HD3 . 19768 1 1007 . 1 1 111 111 LYS HE2 H 1 2.897 0.020 . 2 . . . . 111 LYS HE2 . 19768 1 1008 . 1 1 111 111 LYS HE3 H 1 2.897 0.020 . 2 . . . . 111 LYS HE3 . 19768 1 1009 . 1 1 111 111 LYS CA C 13 54.141 0.400 . 1 . . . . 111 LYS CA . 19768 1 1010 . 1 1 111 111 LYS CB C 13 32.354 0.400 . 1 . . . . 111 LYS CB . 19768 1 1011 . 1 1 111 111 LYS CD C 13 28.628 0.400 . 1 . . . . 111 LYS CD . 19768 1 1012 . 1 1 111 111 LYS N N 15 124.527 0.400 . 1 . . . . 111 LYS N . 19768 1 1013 . 1 1 112 112 PRO C C 13 176.776 0.400 . 1 . . . . 112 PRO C . 19768 1 1014 . 1 1 112 112 PRO CA C 13 62.923 0.400 . 1 . . . . 112 PRO CA . 19768 1 1015 . 1 1 112 112 PRO CB C 13 32.001 0.400 . 1 . . . . 112 PRO CB . 19768 1 1016 . 1 1 113 113 SER H H 1 8.256 0.020 . 1 . . . . 113 SER H . 19768 1 1017 . 1 1 113 113 SER HA H 1 4.354 0.020 . 1 . . . . 113 SER HA . 19768 1 1018 . 1 1 113 113 SER HB2 H 1 3.739 0.020 . 2 . . . . 113 SER HB2 . 19768 1 1019 . 1 1 113 113 SER HB3 H 1 3.739 0.020 . 2 . . . . 113 SER HB3 . 19768 1 1020 . 1 1 113 113 SER C C 13 174.527 0.400 . 1 . . . . 113 SER C . 19768 1 1021 . 1 1 113 113 SER CA C 13 57.867 0.400 . 1 . . . . 113 SER CA . 19768 1 1022 . 1 1 113 113 SER CB C 13 63.663 0.400 . 1 . . . . 113 SER CB . 19768 1 1023 . 1 1 113 113 SER N N 15 116.698 0.400 . 1 . . . . 113 SER N . 19768 1 1024 . 1 1 114 114 ILE H H 1 8.016 0.020 . 1 . . . . 114 ILE H . 19768 1 1025 . 1 1 114 114 ILE HA H 1 4.092 0.020 . 1 . . . . 114 ILE HA . 19768 1 1026 . 1 1 114 114 ILE HB H 1 1.759 0.020 . 1 . . . . 114 ILE HB . 19768 1 1027 . 1 1 114 114 ILE HG12 H 1 1.338 0.020 . 2 . . . . 114 ILE HG12 . 19768 1 1028 . 1 1 114 114 ILE HG13 H 1 1.079 0.020 . 2 . . . . 114 ILE HG13 . 19768 1 1029 . 1 1 114 114 ILE HG21 H 1 0.785 0.020 . 1 . . . . 114 ILE HG2 . 19768 1 1030 . 1 1 114 114 ILE HG22 H 1 0.785 0.020 . 1 . . . . 114 ILE HG2 . 19768 1 1031 . 1 1 114 114 ILE HG23 H 1 0.785 0.020 . 1 . . . . 114 ILE HG2 . 19768 1 1032 . 1 1 114 114 ILE HD11 H 1 0.751 0.020 . 1 . . . . 114 ILE HD1 . 19768 1 1033 . 1 1 114 114 ILE HD12 H 1 0.751 0.020 . 1 . . . . 114 ILE HD1 . 19768 1 1034 . 1 1 114 114 ILE HD13 H 1 0.751 0.020 . 1 . . . . 114 ILE HD1 . 19768 1 1035 . 1 1 114 114 ILE C C 13 176.074 0.400 . 1 . . . . 114 ILE C . 19768 1 1036 . 1 1 114 114 ILE CA C 13 60.910 0.400 . 1 . . . . 114 ILE CA . 19768 1 1037 . 1 1 114 114 ILE CB C 13 38.689 0.400 . 1 . . . . 114 ILE CB . 19768 1 1038 . 1 1 114 114 ILE CG1 C 13 27.221 0.400 . 1 . . . . 114 ILE CG1 . 19768 1 1039 . 1 1 114 114 ILE CD1 C 13 12.944 0.400 . 1 . . . . 114 ILE CD1 . 19768 1 1040 . 1 1 114 114 ILE N N 15 123.070 0.400 . 1 . . . . 114 ILE N . 19768 1 1041 . 1 1 115 115 LYS H H 1 8.208 0.020 . 1 . . . . 115 LYS H . 19768 1 1042 . 1 1 115 115 LYS HA H 1 4.208 0.020 . 1 . . . . 115 LYS HA . 19768 1 1043 . 1 1 115 115 LYS HB2 H 1 1.737 0.020 . 2 . . . . 115 LYS HB2 . 19768 1 1044 . 1 1 115 115 LYS HB3 H 1 1.623 0.020 . 2 . . . . 115 LYS HB3 . 19768 1 1045 . 1 1 115 115 LYS HG2 H 1 1.305 0.020 . 2 . . . . 115 LYS HG2 . 19768 1 1046 . 1 1 115 115 LYS HG3 H 1 1.305 0.020 . 2 . . . . 115 LYS HG3 . 19768 1 1047 . 1 1 115 115 LYS HD2 H 1 1.565 0.020 . 2 . . . . 115 LYS HD2 . 19768 1 1048 . 1 1 115 115 LYS HD3 H 1 1.565 0.020 . 2 . . . . 115 LYS HD3 . 19768 1 1049 . 1 1 115 115 LYS HE2 H 1 2.864 0.020 . 2 . . . . 115 LYS HE2 . 19768 1 1050 . 1 1 115 115 LYS HE3 H 1 2.864 0.020 . 2 . . . . 115 LYS HE3 . 19768 1 1051 . 1 1 115 115 LYS C C 13 176.413 0.400 . 1 . . . . 115 LYS C . 19768 1 1052 . 1 1 115 115 LYS CA C 13 56.083 0.400 . 1 . . . . 115 LYS CA . 19768 1 1053 . 1 1 115 115 LYS CB C 13 32.926 0.400 . 1 . . . . 115 LYS CB . 19768 1 1054 . 1 1 115 115 LYS CD C 13 28.869 0.400 . 1 . . . . 115 LYS CD . 19768 1 1055 . 1 1 115 115 LYS CE C 13 41.944 0.400 . 1 . . . . 115 LYS CE . 19768 1 1056 . 1 1 115 115 LYS N N 15 125.821 0.400 . 1 . . . . 115 LYS N . 19768 1 1057 . 1 1 116 116 LYS H H 1 8.221 0.020 . 1 . . . . 116 LYS H . 19768 1 1058 . 1 1 116 116 LYS HA H 1 4.217 0.020 . 1 . . . . 116 LYS HA . 19768 1 1059 . 1 1 116 116 LYS HB2 H 1 1.720 0.020 . 2 . . . . 116 LYS HB2 . 19768 1 1060 . 1 1 116 116 LYS HB3 H 1 1.637 0.020 . 2 . . . . 116 LYS HB3 . 19768 1 1061 . 1 1 116 116 LYS HG2 H 1 1.333 0.020 . 2 . . . . 116 LYS HG2 . 19768 1 1062 . 1 1 116 116 LYS HG3 H 1 1.333 0.020 . 2 . . . . 116 LYS HG3 . 19768 1 1063 . 1 1 116 116 LYS HD2 H 1 1.566 0.020 . 2 . . . . 116 LYS HD2 . 19768 1 1064 . 1 1 116 116 LYS HD3 H 1 1.566 0.020 . 2 . . . . 116 LYS HD3 . 19768 1 1065 . 1 1 116 116 LYS HE2 H 1 2.881 0.020 . 2 . . . . 116 LYS HE2 . 19768 1 1066 . 1 1 116 116 LYS HE3 H 1 2.881 0.020 . 2 . . . . 116 LYS HE3 . 19768 1 1067 . 1 1 116 116 LYS C C 13 176.596 0.400 . 1 . . . . 116 LYS C . 19768 1 1068 . 1 1 116 116 LYS CA C 13 56.293 0.400 . 1 . . . . 116 LYS CA . 19768 1 1069 . 1 1 116 116 LYS CB C 13 33.042 0.400 . 1 . . . . 116 LYS CB . 19768 1 1070 . 1 1 116 116 LYS CD C 13 28.944 0.400 . 1 . . . . 116 LYS CD . 19768 1 1071 . 1 1 116 116 LYS N N 15 123.594 0.400 . 1 . . . . 116 LYS N . 19768 1 1072 . 1 1 117 117 SER H H 1 8.200 0.020 . 1 . . . . 117 SER H . 19768 1 1073 . 1 1 117 117 SER HA H 1 4.342 0.020 . 1 . . . . 117 SER HA . 19768 1 1074 . 1 1 117 117 SER HB2 H 1 3.766 0.020 . 2 . . . . 117 SER HB2 . 19768 1 1075 . 1 1 117 117 SER HB3 H 1 3.766 0.020 . 2 . . . . 117 SER HB3 . 19768 1 1076 . 1 1 117 117 SER C C 13 174.547 0.400 . 1 . . . . 117 SER C . 19768 1 1077 . 1 1 117 117 SER CA C 13 58.154 0.400 . 1 . . . . 117 SER CA . 19768 1 1078 . 1 1 117 117 SER CB C 13 63.774 0.400 . 1 . . . . 117 SER CB . 19768 1 1079 . 1 1 117 117 SER N N 15 117.386 0.400 . 1 . . . . 117 SER N . 19768 1 1080 . 1 1 118 118 GLN H H 1 8.320 0.020 . 1 . . . . 118 GLN H . 19768 1 1081 . 1 1 118 118 GLN C C 13 176.710 0.400 . 1 . . . . 118 GLN C . 19768 1 1082 . 1 1 118 118 GLN CA C 13 56.132 0.400 . 1 . . . . 118 GLN CA . 19768 1 1083 . 1 1 118 118 GLN CB C 13 30.856 0.400 . 1 . . . . 118 GLN CB . 19768 1 1084 . 1 1 118 118 GLN N N 15 122.473 0.400 . 1 . . . . 118 GLN N . 19768 1 1085 . 1 1 119 119 GLY H H 1 8.433 0.020 . 1 . . . . 119 GLY H . 19768 1 1086 . 1 1 119 119 GLY HA2 H 1 3.841 0.020 . 2 . . . . 119 GLY HA2 . 19768 1 1087 . 1 1 119 119 GLY HA3 H 1 3.841 0.020 . 2 . . . . 119 GLY HA3 . 19768 1 1088 . 1 1 119 119 GLY C C 13 173.656 0.400 . 1 . . . . 119 GLY C . 19768 1 1089 . 1 1 119 119 GLY CA C 13 45.163 0.400 . 1 . . . . 119 GLY CA . 19768 1 1090 . 1 1 119 119 GLY N N 15 110.846 0.400 . 1 . . . . 119 GLY N . 19768 1 1091 . 1 1 120 120 ARG H H 1 7.931 0.020 . 1 . . . . 120 ARG H . 19768 1 1092 . 1 1 120 120 ARG HA H 1 4.246 0.020 . 1 . . . . 120 ARG HA . 19768 1 1093 . 1 1 120 120 ARG HB2 H 1 1.678 0.020 . 2 . . . . 120 ARG HB2 . 19768 1 1094 . 1 1 120 120 ARG HB3 H 1 1.678 0.020 . 2 . . . . 120 ARG HB3 . 19768 1 1095 . 1 1 120 120 ARG HG2 H 1 1.483 0.020 . 2 . . . . 120 ARG HG2 . 19768 1 1096 . 1 1 120 120 ARG HG3 H 1 1.483 0.020 . 2 . . . . 120 ARG HG3 . 19768 1 1097 . 1 1 120 120 ARG HD2 H 1 3.037 0.020 . 2 . . . . 120 ARG HD2 . 19768 1 1098 . 1 1 120 120 ARG HD3 H 1 3.037 0.020 . 2 . . . . 120 ARG HD3 . 19768 1 1099 . 1 1 120 120 ARG C C 13 176.070 0.400 . 1 . . . . 120 ARG C . 19768 1 1100 . 1 1 120 120 ARG CA C 13 55.853 0.400 . 1 . . . . 120 ARG CA . 19768 1 1101 . 1 1 120 120 ARG CB C 13 30.756 0.400 . 1 . . . . 120 ARG CB . 19768 1 1102 . 1 1 120 120 ARG N N 15 120.233 0.400 . 1 . . . . 120 ARG N . 19768 1 1103 . 1 1 121 121 LYS H H 1 8.230 0.020 . 1 . . . . 121 LYS H . 19768 1 1104 . 1 1 121 121 LYS HA H 1 4.283 0.020 . 1 . . . . 121 LYS HA . 19768 1 1105 . 1 1 121 121 LYS HB2 H 1 1.715 0.020 . 2 . . . . 121 LYS HB2 . 19768 1 1106 . 1 1 121 121 LYS HB3 H 1 1.628 0.020 . 2 . . . . 121 LYS HB3 . 19768 1 1107 . 1 1 121 121 LYS HG2 H 1 1.421 0.020 . 2 . . . . 121 LYS HG2 . 19768 1 1108 . 1 1 121 121 LYS HG3 H 1 1.421 0.020 . 2 . . . . 121 LYS HG3 . 19768 1 1109 . 1 1 121 121 LYS C C 13 177.245 0.400 . 1 . . . . 121 LYS C . 19768 1 1110 . 1 1 121 121 LYS CA C 13 54.446 0.400 . 1 . . . . 121 LYS CA . 19768 1 1111 . 1 1 121 121 LYS CB C 13 33.104 0.400 . 1 . . . . 121 LYS CB . 19768 1 1112 . 1 1 121 121 LYS N N 15 121.894 0.400 . 1 . . . . 121 LYS N . 19768 1 1113 . 1 1 122 122 GLY H H 1 8.792 0.020 . 1 . . . . 122 GLY H . 19768 1 1114 . 1 1 122 122 GLY HA2 H 1 3.999 0.020 . 2 . . . . 122 GLY HA2 . 19768 1 1115 . 1 1 122 122 GLY HA3 H 1 3.715 0.020 . 2 . . . . 122 GLY HA3 . 19768 1 1116 . 1 1 122 122 GLY C C 13 173.744 0.400 . 1 . . . . 122 GLY C . 19768 1 1117 . 1 1 122 122 GLY CA C 13 45.958 0.400 . 1 . . . . 122 GLY CA . 19768 1 1118 . 1 1 122 122 GLY N N 15 109.318 0.400 . 1 . . . . 122 GLY N . 19768 1 1119 . 1 1 123 123 GLN H H 1 8.584 0.020 . 1 . . . . 123 GLN H . 19768 1 1120 . 1 1 123 123 GLN HA H 1 4.303 0.020 . 1 . . . . 123 GLN HA . 19768 1 1121 . 1 1 123 123 GLN C C 13 175.147 0.400 . 1 . . . . 123 GLN C . 19768 1 1122 . 1 1 123 123 GLN CA C 13 53.405 0.400 . 1 . . . . 123 GLN CA . 19768 1 1123 . 1 1 123 123 GLN CB C 13 30.651 0.400 . 1 . . . . 123 GLN CB . 19768 1 1124 . 1 1 123 123 GLN N N 15 122.342 0.400 . 1 . . . . 123 GLN N . 19768 1 1125 . 1 1 124 124 GLU H H 1 8.502 0.020 . 1 . . . . 124 GLU H . 19768 1 1126 . 1 1 124 124 GLU HA H 1 4.303 0.020 . 1 . . . . 124 GLU HA . 19768 1 1127 . 1 1 124 124 GLU HB2 H 1 1.796 0.020 . 2 . . . . 124 GLU HB2 . 19768 1 1128 . 1 1 124 124 GLU HB3 H 1 1.676 0.020 . 2 . . . . 124 GLU HB3 . 19768 1 1129 . 1 1 124 124 GLU HG2 H 1 2.120 0.020 . 2 . . . . 124 GLU HG2 . 19768 1 1130 . 1 1 124 124 GLU HG3 H 1 2.120 0.020 . 2 . . . . 124 GLU HG3 . 19768 1 1131 . 1 1 124 124 GLU C C 13 177.273 0.400 . 1 . . . . 124 GLU C . 19768 1 1132 . 1 1 124 124 GLU CA C 13 58.233 0.400 . 1 . . . . 124 GLU CA . 19768 1 1133 . 1 1 124 124 GLU CB C 13 29.216 0.400 . 1 . . . . 124 GLU CB . 19768 1 1134 . 1 1 124 124 GLU N N 15 120.955 0.400 . 1 . . . . 124 GLU N . 19768 1 1135 . 1 1 125 125 GLY H H 1 9.250 0.020 . 1 . . . . 125 GLY H . 19768 1 1136 . 1 1 125 125 GLY HA2 H 1 4.227 0.020 . 2 . . . . 125 GLY HA2 . 19768 1 1137 . 1 1 125 125 GLY HA3 H 1 3.401 0.020 . 2 . . . . 125 GLY HA3 . 19768 1 1138 . 1 1 125 125 GLY C C 13 174.047 0.400 . 1 . . . . 125 GLY C . 19768 1 1139 . 1 1 125 125 GLY CA C 13 44.962 0.400 . 1 . . . . 125 GLY CA . 19768 1 1140 . 1 1 125 125 GLY N N 15 113.951 0.400 . 1 . . . . 125 GLY N . 19768 1 1141 . 1 1 126 126 GLU H H 1 7.798 0.020 . 1 . . . . 126 GLU H . 19768 1 1142 . 1 1 126 126 GLU HA H 1 4.275 0.020 . 1 . . . . 126 GLU HA . 19768 1 1143 . 1 1 126 126 GLU HB2 H 1 1.863 0.020 . 2 . . . . 126 GLU HB2 . 19768 1 1144 . 1 1 126 126 GLU HB3 H 1 1.863 0.020 . 2 . . . . 126 GLU HB3 . 19768 1 1145 . 1 1 126 126 GLU HG2 H 1 2.169 0.020 . 2 . . . . 126 GLU HG2 . 19768 1 1146 . 1 1 126 126 GLU HG3 H 1 2.169 0.020 . 2 . . . . 126 GLU HG3 . 19768 1 1147 . 1 1 126 126 GLU C C 13 175.661 0.400 . 1 . . . . 126 GLU C . 19768 1 1148 . 1 1 126 126 GLU CA C 13 56.317 0.400 . 1 . . . . 126 GLU CA . 19768 1 1149 . 1 1 126 126 GLU CB C 13 30.519 0.400 . 1 . . . . 126 GLU CB . 19768 1 1150 . 1 1 126 126 GLU CG C 13 35.579 0.400 . 1 . . . . 126 GLU CG . 19768 1 1151 . 1 1 126 126 GLU N N 15 118.902 0.400 . 1 . . . . 126 GLU N . 19768 1 1152 . 1 1 127 127 SER H H 1 8.284 0.020 . 1 . . . . 127 SER H . 19768 1 1153 . 1 1 127 127 SER HA H 1 4.816 0.020 . 1 . . . . 127 SER HA . 19768 1 1154 . 1 1 127 127 SER HB2 H 1 3.844 0.020 . 2 . . . . 127 SER HB2 . 19768 1 1155 . 1 1 127 127 SER HB3 H 1 3.844 0.020 . 2 . . . . 127 SER HB3 . 19768 1 1156 . 1 1 127 127 SER C C 13 172.887 0.400 . 1 . . . . 127 SER C . 19768 1 1157 . 1 1 127 127 SER CA C 13 59.090 0.400 . 1 . . . . 127 SER CA . 19768 1 1158 . 1 1 127 127 SER CB C 13 64.068 0.400 . 1 . . . . 127 SER CB . 19768 1 1159 . 1 1 127 127 SER N N 15 115.507 0.400 . 1 . . . . 127 SER N . 19768 1 1160 . 1 1 128 128 CYS H H 1 7.891 0.020 . 1 . . . . 128 CYS H . 19768 1 1161 . 1 1 128 128 CYS HA H 1 4.757 0.020 . 1 . . . . 128 CYS HA . 19768 1 1162 . 1 1 128 128 CYS HB2 H 1 3.128 0.020 . 2 . . . . 128 CYS HB2 . 19768 1 1163 . 1 1 128 128 CYS HB3 H 1 3.039 0.020 . 2 . . . . 128 CYS HB3 . 19768 1 1164 . 1 1 128 128 CYS C C 13 171.724 0.400 . 1 . . . . 128 CYS C . 19768 1 1165 . 1 1 128 128 CYS CA C 13 53.675 0.400 . 1 . . . . 128 CYS CA . 19768 1 1166 . 1 1 128 128 CYS CB C 13 48.004 0.400 . 1 . . . . 128 CYS CB . 19768 1 1167 . 1 1 128 128 CYS N N 15 117.128 0.400 . 1 . . . . 128 CYS N . 19768 1 1168 . 1 1 129 129 LEU H H 1 8.916 0.020 . 1 . . . . 129 LEU H . 19768 1 1169 . 1 1 129 129 LEU HA H 1 4.434 0.020 . 1 . . . . 129 LEU HA . 19768 1 1170 . 1 1 129 129 LEU HB2 H 1 1.733 0.020 . 2 . . . . 129 LEU HB2 . 19768 1 1171 . 1 1 129 129 LEU HB3 H 1 1.452 0.020 . 2 . . . . 129 LEU HB3 . 19768 1 1172 . 1 1 129 129 LEU HG H 1 1.488 0.020 . 1 . . . . 129 LEU HG . 19768 1 1173 . 1 1 129 129 LEU HD11 H 1 0.824 0.020 . 2 . . . . 129 LEU HD1 . 19768 1 1174 . 1 1 129 129 LEU HD12 H 1 0.824 0.020 . 2 . . . . 129 LEU HD1 . 19768 1 1175 . 1 1 129 129 LEU HD13 H 1 0.824 0.020 . 2 . . . . 129 LEU HD1 . 19768 1 1176 . 1 1 129 129 LEU C C 13 176.719 0.400 . 1 . . . . 129 LEU C . 19768 1 1177 . 1 1 129 129 LEU CA C 13 55.714 0.400 . 1 . . . . 129 LEU CA . 19768 1 1178 . 1 1 129 129 LEU CB C 13 43.504 0.400 . 1 . . . . 129 LEU CB . 19768 1 1179 . 1 1 129 129 LEU CG C 13 27.254 0.400 . 1 . . . . 129 LEU CG . 19768 1 1180 . 1 1 129 129 LEU CD1 C 13 24.641 0.400 . 1 . . . . 129 LEU CD1 . 19768 1 1181 . 1 1 129 129 LEU N N 15 118.887 0.400 . 1 . . . . 129 LEU N . 19768 1 1182 . 1 1 130 130 ARG H H 1 8.092 0.020 . 1 . . . . 130 ARG H . 19768 1 1183 . 1 1 130 130 ARG HA H 1 4.581 0.020 . 1 . . . . 130 ARG HA . 19768 1 1184 . 1 1 130 130 ARG HB2 H 1 1.851 0.020 . 2 . . . . 130 ARG HB2 . 19768 1 1185 . 1 1 130 130 ARG HB3 H 1 1.561 0.020 . 2 . . . . 130 ARG HB3 . 19768 1 1186 . 1 1 130 130 ARG HD2 H 1 3.090 0.020 . 2 . . . . 130 ARG HD2 . 19768 1 1187 . 1 1 130 130 ARG HD3 H 1 3.090 0.020 . 2 . . . . 130 ARG HD3 . 19768 1 1188 . 1 1 130 130 ARG CA C 13 53.419 0.400 . 1 . . . . 130 ARG CA . 19768 1 1189 . 1 1 130 130 ARG CB C 13 32.664 0.400 . 1 . . . . 130 ARG CB . 19768 1 1190 . 1 1 130 130 ARG CD C 13 43.404 0.400 . 1 . . . . 130 ARG CD . 19768 1 1191 . 1 1 130 130 ARG N N 15 117.774 0.400 . 1 . . . . 130 ARG N . 19768 1 1192 . 1 1 131 131 THR HA H 1 4.121 0.020 . 1 . . . . 131 THR HA . 19768 1 1193 . 1 1 131 131 THR HB H 1 3.620 0.020 . 1 . . . . 131 THR HB . 19768 1 1194 . 1 1 131 131 THR HG21 H 1 1.194 0.020 . 1 . . . . 131 THR HG2 . 19768 1 1195 . 1 1 131 131 THR HG22 H 1 1.194 0.020 . 1 . . . . 131 THR HG2 . 19768 1 1196 . 1 1 131 131 THR HG23 H 1 1.194 0.020 . 1 . . . . 131 THR HG2 . 19768 1 1197 . 1 1 131 131 THR CA C 13 68.527 0.400 . 1 . . . . 131 THR CA . 19768 1 1198 . 1 1 131 131 THR CB C 13 67.863 0.400 . 1 . . . . 131 THR CB . 19768 1 1199 . 1 1 131 131 THR CG2 C 13 23.090 0.400 . 1 . . . . 131 THR CG2 . 19768 1 1200 . 1 1 132 132 PHE HA H 1 4.352 0.020 . 1 . . . . 132 PHE HA . 19768 1 1201 . 1 1 132 132 PHE HB2 H 1 3.151 0.020 . 2 . . . . 132 PHE HB2 . 19768 1 1202 . 1 1 132 132 PHE HB3 H 1 2.746 0.020 . 2 . . . . 132 PHE HB3 . 19768 1 1203 . 1 1 132 132 PHE HD1 H 1 7.142 0.020 . 1 . . . . 132 PHE HD1 . 19768 1 1204 . 1 1 132 132 PHE HD2 H 1 7.142 0.020 . 1 . . . . 132 PHE HD2 . 19768 1 1205 . 1 1 132 132 PHE HE1 H 1 7.260 0.020 . 1 . . . . 132 PHE HE1 . 19768 1 1206 . 1 1 132 132 PHE HE2 H 1 7.260 0.020 . 1 . . . . 132 PHE HE2 . 19768 1 1207 . 1 1 132 132 PHE C C 13 175.037 0.400 . 1 . . . . 132 PHE C . 19768 1 1208 . 1 1 132 132 PHE CA C 13 59.144 0.400 . 1 . . . . 132 PHE CA . 19768 1 1209 . 1 1 132 132 PHE CB C 13 38.804 0.400 . 1 . . . . 132 PHE CB . 19768 1 1210 . 1 1 133 133 ASP H H 1 7.668 0.020 . 1 . . . . 133 ASP H . 19768 1 1211 . 1 1 133 133 ASP HA H 1 4.437 0.020 . 1 . . . . 133 ASP HA . 19768 1 1212 . 1 1 133 133 ASP C C 13 177.294 0.400 . 1 . . . . 133 ASP C . 19768 1 1213 . 1 1 133 133 ASP CA C 13 55.783 0.400 . 1 . . . . 133 ASP CA . 19768 1 1214 . 1 1 133 133 ASP CB C 13 42.181 0.400 . 1 . . . . 133 ASP CB . 19768 1 1215 . 1 1 133 133 ASP N N 15 116.552 0.400 . 1 . . . . 133 ASP N . 19768 1 1216 . 1 1 134 134 CYS H H 1 8.040 0.020 . 1 . . . . 134 CYS H . 19768 1 1217 . 1 1 134 134 CYS C C 13 174.011 0.400 . 1 . . . . 134 CYS C . 19768 1 1218 . 1 1 134 134 CYS CA C 13 53.880 0.400 . 1 . . . . 134 CYS CA . 19768 1 1219 . 1 1 134 134 CYS CB C 13 42.016 0.400 . 1 . . . . 134 CYS CB . 19768 1 1220 . 1 1 134 134 CYS N N 15 118.550 0.400 . 1 . . . . 134 CYS N . 19768 1 1221 . 1 1 135 135 GLY H H 1 8.734 0.020 . 1 . . . . 135 GLY H . 19768 1 1222 . 1 1 135 135 GLY HA2 H 1 3.830 0.020 . 2 . . . . 135 GLY HA2 . 19768 1 1223 . 1 1 135 135 GLY HA3 H 1 3.776 0.020 . 2 . . . . 135 GLY HA3 . 19768 1 1224 . 1 1 135 135 GLY CA C 13 44.371 0.400 . 1 . . . . 135 GLY CA . 19768 1 1225 . 1 1 135 135 GLY N N 15 107.529 0.400 . 1 . . . . 135 GLY N . 19768 1 1226 . 1 1 136 136 PRO C C 13 177.979 0.400 . 1 . . . . 136 PRO C . 19768 1 1227 . 1 1 136 136 PRO CA C 13 63.270 0.400 . 1 . . . . 136 PRO CA . 19768 1 1228 . 1 1 136 136 PRO CB C 13 31.767 0.400 . 1 . . . . 136 PRO CB . 19768 1 1229 . 1 1 137 137 GLY H H 1 8.778 0.020 . 1 . . . . 137 GLY H . 19768 1 1230 . 1 1 137 137 GLY HA2 H 1 4.013 0.020 . 2 . . . . 137 GLY HA2 . 19768 1 1231 . 1 1 137 137 GLY HA3 H 1 3.571 0.020 . 2 . . . . 137 GLY HA3 . 19768 1 1232 . 1 1 137 137 GLY C C 13 173.886 0.400 . 1 . . . . 137 GLY C . 19768 1 1233 . 1 1 137 137 GLY CA C 13 45.284 0.400 . 1 . . . . 137 GLY CA . 19768 1 1234 . 1 1 137 137 GLY N N 15 110.102 0.400 . 1 . . . . 137 GLY N . 19768 1 1235 . 1 1 138 138 LEU H H 1 7.350 0.020 . 1 . . . . 138 LEU H . 19768 1 1236 . 1 1 138 138 LEU HA H 1 5.362 0.020 . 1 . . . . 138 LEU HA . 19768 1 1237 . 1 1 138 138 LEU HB2 H 1 1.043 0.020 . 2 . . . . 138 LEU HB2 . 19768 1 1238 . 1 1 138 138 LEU HB3 H 1 1.043 0.020 . 2 . . . . 138 LEU HB3 . 19768 1 1239 . 1 1 138 138 LEU HG H 1 0.623 0.020 . 1 . . . . 138 LEU HG . 19768 1 1240 . 1 1 138 138 LEU HD11 H 1 0.476 0.020 . 2 . . . . 138 LEU HD1 . 19768 1 1241 . 1 1 138 138 LEU HD12 H 1 0.476 0.020 . 2 . . . . 138 LEU HD1 . 19768 1 1242 . 1 1 138 138 LEU HD13 H 1 0.476 0.020 . 2 . . . . 138 LEU HD1 . 19768 1 1243 . 1 1 138 138 LEU C C 13 175.824 0.400 . 1 . . . . 138 LEU C . 19768 1 1244 . 1 1 138 138 LEU CA C 13 53.394 0.400 . 1 . . . . 138 LEU CA . 19768 1 1245 . 1 1 138 138 LEU CB C 13 45.151 0.400 . 1 . . . . 138 LEU CB . 19768 1 1246 . 1 1 138 138 LEU N N 15 120.736 0.400 . 1 . . . . 138 LEU N . 19768 1 1247 . 1 1 139 139 CYS H H 1 9.870 0.020 . 1 . . . . 139 CYS H . 19768 1 1248 . 1 1 139 139 CYS HA H 1 5.106 0.020 . 1 . . . . 139 CYS HA . 19768 1 1249 . 1 1 139 139 CYS HB2 H 1 2.967 0.020 . 2 . . . . 139 CYS HB2 . 19768 1 1250 . 1 1 139 139 CYS HB3 H 1 2.862 0.020 . 2 . . . . 139 CYS HB3 . 19768 1 1251 . 1 1 139 139 CYS C C 13 170.996 0.400 . 1 . . . . 139 CYS C . 19768 1 1252 . 1 1 139 139 CYS CA C 13 54.930 0.400 . 1 . . . . 139 CYS CA . 19768 1 1253 . 1 1 139 139 CYS CB C 13 43.051 0.400 . 1 . . . . 139 CYS CB . 19768 1 1254 . 1 1 139 139 CYS N N 15 120.221 0.400 . 1 . . . . 139 CYS N . 19768 1 1255 . 1 1 140 140 CYS H H 1 8.209 0.020 . 1 . . . . 140 CYS H . 19768 1 1256 . 1 1 140 140 CYS HB2 H 1 2.570 0.020 . 2 . . . . 140 CYS HB2 . 19768 1 1257 . 1 1 140 140 CYS HB3 H 1 2.454 0.020 . 2 . . . . 140 CYS HB3 . 19768 1 1258 . 1 1 140 140 CYS CA C 13 54.722 0.400 . 1 . . . . 140 CYS CA . 19768 1 1259 . 1 1 140 140 CYS N N 15 122.329 0.400 . 1 . . . . 140 CYS N . 19768 1 1260 . 1 1 144 144 PHE C C 13 176.188 0.400 . 1 . . . . 144 PHE C . 19768 1 1261 . 1 1 144 144 PHE CA C 13 53.484 0.400 . 1 . . . . 144 PHE CA . 19768 1 1262 . 1 1 144 144 PHE CB C 13 38.705 0.400 . 1 . . . . 144 PHE CB . 19768 1 1263 . 1 1 145 145 TRP H H 1 8.054 0.020 . 1 . . . . 145 TRP H . 19768 1 1264 . 1 1 145 145 TRP HA H 1 4.693 0.020 . 1 . . . . 145 TRP HA . 19768 1 1265 . 1 1 145 145 TRP HB2 H 1 3.400 0.020 . 2 . . . . 145 TRP HB2 . 19768 1 1266 . 1 1 145 145 TRP HB3 H 1 3.279 0.020 . 2 . . . . 145 TRP HB3 . 19768 1 1267 . 1 1 145 145 TRP HE1 H 1 10.070 0.020 . 1 . . . . 145 TRP HE1 . 19768 1 1268 . 1 1 145 145 TRP HE3 H 1 7.578 0.020 . 1 . . . . 145 TRP HE3 . 19768 1 1269 . 1 1 145 145 TRP HZ2 H 1 7.386 0.020 . 1 . . . . 145 TRP HZ2 . 19768 1 1270 . 1 1 145 145 TRP HZ3 H 1 7.005 0.020 . 1 . . . . 145 TRP HZ3 . 19768 1 1271 . 1 1 145 145 TRP HH2 H 1 7.112 0.020 . 1 . . . . 145 TRP HH2 . 19768 1 1272 . 1 1 145 145 TRP C C 13 175.412 0.400 . 1 . . . . 145 TRP C . 19768 1 1273 . 1 1 145 145 TRP CA C 13 57.904 0.400 . 1 . . . . 145 TRP CA . 19768 1 1274 . 1 1 145 145 TRP CB C 13 28.795 0.400 . 1 . . . . 145 TRP CB . 19768 1 1275 . 1 1 145 145 TRP N N 15 121.273 0.400 . 1 . . . . 145 TRP N . 19768 1 1276 . 1 1 145 145 TRP NE1 N 15 129.919 0.400 . 1 . . . . 145 TRP NE1 . 19768 1 1277 . 1 1 146 146 THR H H 1 7.688 0.020 . 1 . . . . 146 THR H . 19768 1 1278 . 1 1 146 146 THR HA H 1 4.665 0.020 . 1 . . . . 146 THR HA . 19768 1 1279 . 1 1 146 146 THR HB H 1 4.040 0.020 . 1 . . . . 146 THR HB . 19768 1 1280 . 1 1 146 146 THR HG21 H 1 1.043 0.020 . 1 . . . . 146 THR HG2 . 19768 1 1281 . 1 1 146 146 THR HG22 H 1 1.043 0.020 . 1 . . . . 146 THR HG2 . 19768 1 1282 . 1 1 146 146 THR HG23 H 1 1.043 0.020 . 1 . . . . 146 THR HG2 . 19768 1 1283 . 1 1 146 146 THR C C 13 172.908 0.400 . 1 . . . . 146 THR C . 19768 1 1284 . 1 1 146 146 THR CA C 13 59.313 0.400 . 1 . . . . 146 THR CA . 19768 1 1285 . 1 1 146 146 THR CB C 13 70.550 0.400 . 1 . . . . 146 THR CB . 19768 1 1286 . 1 1 146 146 THR CG2 C 13 20.620 0.400 . 1 . . . . 146 THR CG2 . 19768 1 1287 . 1 1 146 146 THR N N 15 114.864 0.400 . 1 . . . . 146 THR N . 19768 1 1288 . 1 1 147 147 LYS H H 1 8.355 0.020 . 1 . . . . 147 LYS H . 19768 1 1289 . 1 1 147 147 LYS HA H 1 4.852 0.020 . 1 . . . . 147 LYS HA . 19768 1 1290 . 1 1 147 147 LYS HB2 H 1 2.329 0.020 . 2 . . . . 147 LYS HB2 . 19768 1 1291 . 1 1 147 147 LYS HB3 H 1 2.216 0.020 . 2 . . . . 147 LYS HB3 . 19768 1 1292 . 1 1 147 147 LYS C C 13 175.942 0.400 . 1 . . . . 147 LYS C . 19768 1 1293 . 1 1 147 147 LYS CA C 13 56.448 0.400 . 1 . . . . 147 LYS CA . 19768 1 1294 . 1 1 147 147 LYS CB C 13 34.478 0.400 . 1 . . . . 147 LYS CB . 19768 1 1295 . 1 1 147 147 LYS N N 15 122.831 0.400 . 1 . . . . 147 LYS N . 19768 1 1296 . 1 1 148 148 ILE H H 1 8.521 0.020 . 1 . . . . 148 ILE H . 19768 1 1297 . 1 1 148 148 ILE HA H 1 5.079 0.020 . 1 . . . . 148 ILE HA . 19768 1 1298 . 1 1 148 148 ILE HB H 1 1.277 0.020 . 1 . . . . 148 ILE HB . 19768 1 1299 . 1 1 148 148 ILE HG12 H 1 1.054 0.020 . 2 . . . . 148 ILE HG12 . 19768 1 1300 . 1 1 148 148 ILE HG13 H 1 0.707 0.020 . 2 . . . . 148 ILE HG13 . 19768 1 1301 . 1 1 148 148 ILE HG21 H 1 0.594 0.020 . 1 . . . . 148 ILE HG2 . 19768 1 1302 . 1 1 148 148 ILE HG22 H 1 0.594 0.020 . 1 . . . . 148 ILE HG2 . 19768 1 1303 . 1 1 148 148 ILE HG23 H 1 0.594 0.020 . 1 . . . . 148 ILE HG2 . 19768 1 1304 . 1 1 148 148 ILE HD11 H 1 0.389 0.020 . 1 . . . . 148 ILE HD1 . 19768 1 1305 . 1 1 148 148 ILE HD12 H 1 0.389 0.020 . 1 . . . . 148 ILE HD1 . 19768 1 1306 . 1 1 148 148 ILE HD13 H 1 0.389 0.020 . 1 . . . . 148 ILE HD1 . 19768 1 1307 . 1 1 148 148 ILE C C 13 175.981 0.400 . 1 . . . . 148 ILE C . 19768 1 1308 . 1 1 148 148 ILE CA C 13 58.901 0.400 . 1 . . . . 148 ILE CA . 19768 1 1309 . 1 1 148 148 ILE CB C 13 43.782 0.400 . 1 . . . . 148 ILE CB . 19768 1 1310 . 1 1 148 148 ILE CG1 C 13 25.260 0.400 . 1 . . . . 148 ILE CG1 . 19768 1 1311 . 1 1 148 148 ILE CG2 C 13 18.093 0.400 . 1 . . . . 148 ILE CG2 . 19768 1 1312 . 1 1 148 148 ILE CD1 C 13 13.451 0.400 . 1 . . . . 148 ILE CD1 . 19768 1 1313 . 1 1 148 148 ILE N N 15 115.527 0.400 . 1 . . . . 148 ILE N . 19768 1 1314 . 1 1 149 149 CYS H H 1 8.521 0.020 . 1 . . . . 149 CYS H . 19768 1 1315 . 1 1 149 149 CYS HA H 1 5.223 0.020 . 1 . . . . 149 CYS HA . 19768 1 1316 . 1 1 149 149 CYS HB2 H 1 3.003 0.020 . 2 . . . . 149 CYS HB2 . 19768 1 1317 . 1 1 149 149 CYS HB3 H 1 2.562 0.020 . 2 . . . . 149 CYS HB3 . 19768 1 1318 . 1 1 149 149 CYS C C 13 175.189 0.400 . 1 . . . . 149 CYS C . 19768 1 1319 . 1 1 149 149 CYS CA C 13 54.169 0.400 . 1 . . . . 149 CYS CA . 19768 1 1320 . 1 1 149 149 CYS CB C 13 40.051 0.400 . 1 . . . . 149 CYS CB . 19768 1 1321 . 1 1 149 149 CYS N N 15 119.942 0.400 . 1 . . . . 149 CYS N . 19768 1 1322 . 1 1 150 150 LYS H H 1 9.564 0.020 . 1 . . . . 150 LYS H . 19768 1 1323 . 1 1 150 150 LYS HA H 1 4.798 0.020 . 1 . . . . 150 LYS HA . 19768 1 1324 . 1 1 150 150 LYS CA C 13 54.013 0.400 . 1 . . . . 150 LYS CA . 19768 1 1325 . 1 1 150 150 LYS N N 15 126.796 0.400 . 1 . . . . 150 LYS N . 19768 1 1326 . 1 1 151 151 PRO C C 13 177.607 0.400 . 1 . . . . 151 PRO C . 19768 1 1327 . 1 1 151 151 PRO CA C 13 63.037 0.400 . 1 . . . . 151 PRO CA . 19768 1 1328 . 1 1 151 151 PRO CB C 13 31.996 0.400 . 1 . . . . 151 PRO CB . 19768 1 1329 . 1 1 152 152 VAL H H 1 7.555 0.020 . 1 . . . . 152 VAL H . 19768 1 1330 . 1 1 152 152 VAL HA H 1 3.925 0.020 . 1 . . . . 152 VAL HA . 19768 1 1331 . 1 1 152 152 VAL HB H 1 1.950 0.020 . 1 . . . . 152 VAL HB . 19768 1 1332 . 1 1 152 152 VAL HG11 H 1 0.745 0.020 . 2 . . . . 152 VAL HG1 . 19768 1 1333 . 1 1 152 152 VAL HG12 H 1 0.745 0.020 . 2 . . . . 152 VAL HG1 . 19768 1 1334 . 1 1 152 152 VAL HG13 H 1 0.745 0.020 . 2 . . . . 152 VAL HG1 . 19768 1 1335 . 1 1 152 152 VAL C C 13 176.078 0.400 . 1 . . . . 152 VAL C . 19768 1 1336 . 1 1 152 152 VAL CA C 13 61.888 0.400 . 1 . . . . 152 VAL CA . 19768 1 1337 . 1 1 152 152 VAL CB C 13 31.707 0.400 . 1 . . . . 152 VAL CB . 19768 1 1338 . 1 1 152 152 VAL CG1 C 13 19.078 0.400 . 1 . . . . 152 VAL CG1 . 19768 1 1339 . 1 1 152 152 VAL N N 15 116.231 0.400 . 1 . . . . 152 VAL N . 19768 1 1340 . 1 1 153 153 LEU H H 1 7.526 0.020 . 1 . . . . 153 LEU H . 19768 1 1341 . 1 1 153 153 LEU HA H 1 4.174 0.020 . 1 . . . . 153 LEU HA . 19768 1 1342 . 1 1 153 153 LEU CA C 13 54.917 0.400 . 1 . . . . 153 LEU CA . 19768 1 1343 . 1 1 153 153 LEU N N 15 121.586 0.400 . 1 . . . . 153 LEU N . 19768 1 1344 . 1 1 154 154 LEU C C 13 176.688 0.400 . 1 . . . . 154 LEU C . 19768 1 1345 . 1 1 154 154 LEU CA C 13 52.719 0.400 . 1 . . . . 154 LEU CA . 19768 1 1346 . 1 1 154 154 LEU CB C 13 43.642 0.400 . 1 . . . . 154 LEU CB . 19768 1 1347 . 1 1 155 155 GLU H H 1 8.189 0.020 . 1 . . . . 155 GLU H . 19768 1 1348 . 1 1 155 155 GLU C C 13 177.500 0.400 . 1 . . . . 155 GLU C . 19768 1 1349 . 1 1 155 155 GLU CA C 13 58.264 0.400 . 1 . . . . 155 GLU CA . 19768 1 1350 . 1 1 155 155 GLU CB C 13 29.116 0.400 . 1 . . . . 155 GLU CB . 19768 1 1351 . 1 1 155 155 GLU N N 15 119.998 0.400 . 1 . . . . 155 GLU N . 19768 1 1352 . 1 1 156 156 GLY H H 1 9.292 0.020 . 1 . . . . 156 GLY H . 19768 1 1353 . 1 1 156 156 GLY HA2 H 1 4.256 0.020 . 2 . . . . 156 GLY HA2 . 19768 1 1354 . 1 1 156 156 GLY HA3 H 1 3.379 0.020 . 2 . . . . 156 GLY HA3 . 19768 1 1355 . 1 1 156 156 GLY CA C 13 45.039 0.400 . 1 . . . . 156 GLY CA . 19768 1 1356 . 1 1 156 156 GLY N N 15 113.998 0.400 . 1 . . . . 156 GLY N . 19768 1 1357 . 1 1 157 157 GLN C C 13 175.513 0.400 . 1 . . . . 157 GLN C . 19768 1 1358 . 1 1 157 157 GLN CA C 13 56.200 0.400 . 1 . . . . 157 GLN CA . 19768 1 1359 . 1 1 157 157 GLN CB C 13 30.232 0.400 . 1 . . . . 157 GLN CB . 19768 1 1360 . 1 1 158 158 VAL H H 1 8.110 0.020 . 1 . . . . 158 VAL H . 19768 1 1361 . 1 1 158 158 VAL HA H 1 4.328 0.020 . 1 . . . . 158 VAL HA . 19768 1 1362 . 1 1 158 158 VAL HB H 1 1.820 0.020 . 1 . . . . 158 VAL HB . 19768 1 1363 . 1 1 158 158 VAL HG11 H 1 0.958 0.020 . 2 . . . . 158 VAL HG1 . 19768 1 1364 . 1 1 158 158 VAL HG12 H 1 0.958 0.020 . 2 . . . . 158 VAL HG1 . 19768 1 1365 . 1 1 158 158 VAL HG13 H 1 0.958 0.020 . 2 . . . . 158 VAL HG1 . 19768 1 1366 . 1 1 158 158 VAL C C 13 175.376 0.400 . 1 . . . . 158 VAL C . 19768 1 1367 . 1 1 158 158 VAL CA C 13 63.287 0.400 . 1 . . . . 158 VAL CA . 19768 1 1368 . 1 1 158 158 VAL CB C 13 31.958 0.400 . 1 . . . . 158 VAL CB . 19768 1 1369 . 1 1 158 158 VAL CG1 C 13 21.864 0.400 . 1 . . . . 158 VAL CG1 . 19768 1 1370 . 1 1 158 158 VAL N N 15 121.984 0.400 . 1 . . . . 158 VAL N . 19768 1 1371 . 1 1 159 159 CYS H H 1 8.296 0.020 . 1 . . . . 159 CYS H . 19768 1 1372 . 1 1 159 159 CYS HA H 1 4.830 0.020 . 1 . . . . 159 CYS HA . 19768 1 1373 . 1 1 159 159 CYS HB2 H 1 3.295 0.020 . 2 . . . . 159 CYS HB2 . 19768 1 1374 . 1 1 159 159 CYS HB3 H 1 3.040 0.020 . 2 . . . . 159 CYS HB3 . 19768 1 1375 . 1 1 159 159 CYS C C 13 172.924 0.400 . 1 . . . . 159 CYS C . 19768 1 1376 . 1 1 159 159 CYS CA C 13 53.619 0.400 . 1 . . . . 159 CYS CA . 19768 1 1377 . 1 1 159 159 CYS CB C 13 47.693 0.400 . 1 . . . . 159 CYS CB . 19768 1 1378 . 1 1 159 159 CYS N N 15 121.997 0.400 . 1 . . . . 159 CYS N . 19768 1 1379 . 1 1 160 160 SER H H 1 7.998 0.020 . 1 . . . . 160 SER H . 19768 1 1380 . 1 1 160 160 SER HA H 1 4.435 0.020 . 1 . . . . 160 SER HA . 19768 1 1381 . 1 1 160 160 SER HB2 H 1 3.661 0.020 . 2 . . . . 160 SER HB2 . 19768 1 1382 . 1 1 160 160 SER HB3 H 1 3.661 0.020 . 2 . . . . 160 SER HB3 . 19768 1 1383 . 1 1 160 160 SER C C 13 175.953 0.400 . 1 . . . . 160 SER C . 19768 1 1384 . 1 1 160 160 SER CA C 13 57.746 0.400 . 1 . . . . 160 SER CA . 19768 1 1385 . 1 1 160 160 SER CB C 13 64.711 0.400 . 1 . . . . 160 SER CB . 19768 1 1386 . 1 1 160 160 SER N N 15 115.559 0.400 . 1 . . . . 160 SER N . 19768 1 1387 . 1 1 161 161 ARG H H 1 8.390 0.020 . 1 . . . . 161 ARG H . 19768 1 1388 . 1 1 161 161 ARG HA H 1 4.230 0.020 . 1 . . . . 161 ARG HA . 19768 1 1389 . 1 1 161 161 ARG HB2 H 1 1.688 0.020 . 2 . . . . 161 ARG HB2 . 19768 1 1390 . 1 1 161 161 ARG HB3 H 1 1.688 0.020 . 2 . . . . 161 ARG HB3 . 19768 1 1391 . 1 1 161 161 ARG HG2 H 1 1.542 0.020 . 2 . . . . 161 ARG HG2 . 19768 1 1392 . 1 1 161 161 ARG HG3 H 1 1.542 0.020 . 2 . . . . 161 ARG HG3 . 19768 1 1393 . 1 1 161 161 ARG C C 13 173.528 0.400 . 1 . . . . 161 ARG C . 19768 1 1394 . 1 1 161 161 ARG CA C 13 56.017 0.400 . 1 . . . . 161 ARG CA . 19768 1 1395 . 1 1 161 161 ARG CB C 13 31.084 0.400 . 1 . . . . 161 ARG CB . 19768 1 1396 . 1 1 161 161 ARG N N 15 123.775 0.400 . 1 . . . . 161 ARG N . 19768 1 1397 . 1 1 162 162 ARG H H 1 8.390 0.020 . 1 . . . . 162 ARG H . 19768 1 1398 . 1 1 162 162 ARG HA H 1 4.224 0.020 . 1 . . . . 162 ARG HA . 19768 1 1399 . 1 1 162 162 ARG HB2 H 1 1.613 0.020 . 2 . . . . 162 ARG HB2 . 19768 1 1400 . 1 1 162 162 ARG HB3 H 1 1.613 0.020 . 2 . . . . 162 ARG HB3 . 19768 1 1401 . 1 1 162 162 ARG HG2 H 1 1.536 0.020 . 2 . . . . 162 ARG HG2 . 19768 1 1402 . 1 1 162 162 ARG HG3 H 1 1.536 0.020 . 2 . . . . 162 ARG HG3 . 19768 1 1403 . 1 1 162 162 ARG C C 13 176.337 0.400 . 1 . . . . 162 ARG C . 19768 1 1404 . 1 1 162 162 ARG CA C 13 56.006 0.400 . 1 . . . . 162 ARG CA . 19768 1 1405 . 1 1 162 162 ARG CB C 13 29.436 0.400 . 1 . . . . 162 ARG CB . 19768 1 1406 . 1 1 162 162 ARG N N 15 123.689 0.400 . 1 . . . . 162 ARG N . 19768 1 1407 . 1 1 163 163 GLY H H 1 8.270 0.020 . 1 . . . . 163 GLY H . 19768 1 1408 . 1 1 163 163 GLY HA2 H 1 3.824 0.020 . 2 . . . . 163 GLY HA2 . 19768 1 1409 . 1 1 163 163 GLY HA3 H 1 3.824 0.020 . 2 . . . . 163 GLY HA3 . 19768 1 1410 . 1 1 163 163 GLY C C 13 172.637 0.400 . 1 . . . . 163 GLY C . 19768 1 1411 . 1 1 163 163 GLY CA C 13 45.072 0.400 . 1 . . . . 163 GLY CA . 19768 1 1412 . 1 1 163 163 GLY N N 15 110.168 0.400 . 1 . . . . 163 GLY N . 19768 1 1413 . 1 1 164 164 HIS H H 1 7.819 0.020 . 1 . . . . 164 HIS H . 19768 1 1414 . 1 1 164 164 HIS CA C 13 53.787 0.400 . 1 . . . . 164 HIS CA . 19768 1 1415 . 1 1 164 164 HIS CB C 13 31.084 0.400 . 1 . . . . 164 HIS CB . 19768 1 1416 . 1 1 164 164 HIS N N 15 118.942 0.400 . 1 . . . . 164 HIS N . 19768 1 1417 . 1 1 166 166 ASP C C 13 176.542 0.400 . 1 . . . . 166 ASP C . 19768 1 1418 . 1 1 166 166 ASP CA C 13 54.545 0.400 . 1 . . . . 166 ASP CA . 19768 1 1419 . 1 1 166 166 ASP CB C 13 41.102 0.400 . 1 . . . . 166 ASP CB . 19768 1 1420 . 1 1 167 167 THR H H 1 7.823 0.020 . 1 . . . . 167 THR H . 19768 1 1421 . 1 1 167 167 THR HA H 1 4.202 0.020 . 1 . . . . 167 THR HA . 19768 1 1422 . 1 1 167 167 THR HB H 1 4.198 0.020 . 1 . . . . 167 THR HB . 19768 1 1423 . 1 1 167 167 THR HG21 H 1 1.079 0.020 . 1 . . . . 167 THR HG2 . 19768 1 1424 . 1 1 167 167 THR HG22 H 1 1.079 0.020 . 1 . . . . 167 THR HG2 . 19768 1 1425 . 1 1 167 167 THR HG23 H 1 1.079 0.020 . 1 . . . . 167 THR HG2 . 19768 1 1426 . 1 1 167 167 THR C C 13 174.545 0.400 . 1 . . . . 167 THR C . 19768 1 1427 . 1 1 167 167 THR CA C 13 61.721 0.400 . 1 . . . . 167 THR CA . 19768 1 1428 . 1 1 167 167 THR CB C 13 69.623 0.400 . 1 . . . . 167 THR CB . 19768 1 1429 . 1 1 167 167 THR CG2 C 13 21.774 0.400 . 1 . . . . 167 THR CG2 . 19768 1 1430 . 1 1 167 167 THR N N 15 113.364 0.400 . 1 . . . . 167 THR N . 19768 1 1431 . 1 1 168 168 ALA H H 1 8.123 0.020 . 1 . . . . 168 ALA H . 19768 1 1432 . 1 1 168 168 ALA HA H 1 4.169 0.020 . 1 . . . . 168 ALA HA . 19768 1 1433 . 1 1 168 168 ALA HB1 H 1 1.286 0.020 . 1 . . . . 168 ALA HB . 19768 1 1434 . 1 1 168 168 ALA HB2 H 1 1.286 0.020 . 1 . . . . 168 ALA HB . 19768 1 1435 . 1 1 168 168 ALA HB3 H 1 1.286 0.020 . 1 . . . . 168 ALA HB . 19768 1 1436 . 1 1 168 168 ALA C C 13 177.662 0.400 . 1 . . . . 168 ALA C . 19768 1 1437 . 1 1 168 168 ALA CA C 13 52.812 0.400 . 1 . . . . 168 ALA CA . 19768 1 1438 . 1 1 168 168 ALA CB C 13 18.942 0.400 . 1 . . . . 168 ALA CB . 19768 1 1439 . 1 1 168 168 ALA N N 15 125.349 0.400 . 1 . . . . 168 ALA N . 19768 1 1440 . 1 1 169 169 GLN H H 1 7.946 0.020 . 1 . . . . 169 GLN H . 19768 1 1441 . 1 1 169 169 GLN HA H 1 4.171 0.020 . 1 . . . . 169 GLN HA . 19768 1 1442 . 1 1 169 169 GLN HB2 H 1 1.978 0.020 . 2 . . . . 169 GLN HB2 . 19768 1 1443 . 1 1 169 169 GLN HB3 H 1 1.842 0.020 . 2 . . . . 169 GLN HB3 . 19768 1 1444 . 1 1 169 169 GLN HG2 H 1 2.226 0.020 . 2 . . . . 169 GLN HG2 . 19768 1 1445 . 1 1 169 169 GLN HG3 H 1 2.226 0.020 . 2 . . . . 169 GLN HG3 . 19768 1 1446 . 1 1 169 169 GLN C C 13 175.265 0.400 . 1 . . . . 169 GLN C . 19768 1 1447 . 1 1 169 169 GLN CA C 13 55.486 0.400 . 1 . . . . 169 GLN CA . 19768 1 1448 . 1 1 169 169 GLN CB C 13 29.574 0.400 . 1 . . . . 169 GLN CB . 19768 1 1449 . 1 1 169 169 GLN CG C 13 34.408 0.400 . 1 . . . . 169 GLN CG . 19768 1 1450 . 1 1 169 169 GLN N N 15 118.110 0.400 . 1 . . . . 169 GLN N . 19768 1 1451 . 1 1 170 170 ALA H H 1 7.965 0.020 . 1 . . . . 170 ALA H . 19768 1 1452 . 1 1 170 170 ALA HA H 1 4.446 0.020 . 1 . . . . 170 ALA HA . 19768 1 1453 . 1 1 170 170 ALA HB1 H 1 1.247 0.020 . 1 . . . . 170 ALA HB . 19768 1 1454 . 1 1 170 170 ALA HB2 H 1 1.247 0.020 . 1 . . . . 170 ALA HB . 19768 1 1455 . 1 1 170 170 ALA HB3 H 1 1.247 0.020 . 1 . . . . 170 ALA HB . 19768 1 1456 . 1 1 170 170 ALA CA C 13 50.540 0.400 . 1 . . . . 170 ALA CA . 19768 1 1457 . 1 1 170 170 ALA CB C 13 18.213 0.400 . 1 . . . . 170 ALA CB . 19768 1 1458 . 1 1 170 170 ALA N N 15 125.713 0.400 . 1 . . . . 170 ALA N . 19768 1 1459 . 1 1 171 171 PRO HA H 1 4.260 0.020 . 1 . . . . 171 PRO HA . 19768 1 1460 . 1 1 171 171 PRO HB2 H 1 2.103 0.020 . 2 . . . . 171 PRO HB2 . 19768 1 1461 . 1 1 171 171 PRO HB3 H 1 1.666 0.020 . 2 . . . . 171 PRO HB3 . 19768 1 1462 . 1 1 171 171 PRO HG2 H 1 1.857 0.020 . 2 . . . . 171 PRO HG2 . 19768 1 1463 . 1 1 171 171 PRO HG3 H 1 1.857 0.020 . 2 . . . . 171 PRO HG3 . 19768 1 1464 . 1 1 171 171 PRO HD2 H 1 3.637 0.020 . 2 . . . . 171 PRO HD2 . 19768 1 1465 . 1 1 171 171 PRO HD3 H 1 3.536 0.020 . 2 . . . . 171 PRO HD3 . 19768 1 1466 . 1 1 171 171 PRO C C 13 176.884 0.400 . 1 . . . . 171 PRO C . 19768 1 1467 . 1 1 171 171 PRO CA C 13 63.244 0.400 . 1 . . . . 171 PRO CA . 19768 1 1468 . 1 1 171 171 PRO CB C 13 31.924 0.400 . 1 . . . . 171 PRO CB . 19768 1 1469 . 1 1 171 171 PRO CG C 13 27.395 0.400 . 1 . . . . 171 PRO CG . 19768 1 1470 . 1 1 171 171 PRO CD C 13 50.384 0.400 . 1 . . . . 171 PRO CD . 19768 1 1471 . 1 1 172 172 GLU H H 1 8.343 0.020 . 1 . . . . 172 GLU H . 19768 1 1472 . 1 1 172 172 GLU HA H 1 4.067 0.020 . 1 . . . . 172 GLU HA . 19768 1 1473 . 1 1 172 172 GLU HB2 H 1 1.792 0.020 . 2 . . . . 172 GLU HB2 . 19768 1 1474 . 1 1 172 172 GLU HB3 H 1 1.739 0.020 . 2 . . . . 172 GLU HB3 . 19768 1 1475 . 1 1 172 172 GLU HG2 H 1 2.097 0.020 . 2 . . . . 172 GLU HG2 . 19768 1 1476 . 1 1 172 172 GLU HG3 H 1 2.097 0.020 . 2 . . . . 172 GLU HG3 . 19768 1 1477 . 1 1 172 172 GLU C C 13 176.304 0.400 . 1 . . . . 172 GLU C . 19768 1 1478 . 1 1 172 172 GLU CA C 13 56.597 0.400 . 1 . . . . 172 GLU CA . 19768 1 1479 . 1 1 172 172 GLU CB C 13 29.919 0.400 . 1 . . . . 172 GLU CB . 19768 1 1480 . 1 1 172 172 GLU N N 15 120.795 0.400 . 1 . . . . 172 GLU N . 19768 1 1481 . 1 1 173 173 ILE H H 1 7.663 0.020 . 1 . . . . 173 ILE H . 19768 1 1482 . 1 1 173 173 ILE HA H 1 3.692 0.020 . 1 . . . . 173 ILE HA . 19768 1 1483 . 1 1 173 173 ILE HB H 1 1.445 0.020 . 1 . . . . 173 ILE HB . 19768 1 1484 . 1 1 173 173 ILE HG12 H 1 0.971 0.020 . 2 . . . . 173 ILE HG12 . 19768 1 1485 . 1 1 173 173 ILE HG13 H 1 0.821 0.020 . 2 . . . . 173 ILE HG13 . 19768 1 1486 . 1 1 173 173 ILE HG21 H 1 0.389 0.020 . 1 . . . . 173 ILE HG2 . 19768 1 1487 . 1 1 173 173 ILE HG22 H 1 0.389 0.020 . 1 . . . . 173 ILE HG2 . 19768 1 1488 . 1 1 173 173 ILE HG23 H 1 0.389 0.020 . 1 . . . . 173 ILE HG2 . 19768 1 1489 . 1 1 173 173 ILE HD11 H 1 0.551 0.020 . 1 . . . . 173 ILE HD1 . 19768 1 1490 . 1 1 173 173 ILE HD12 H 1 0.551 0.020 . 1 . . . . 173 ILE HD1 . 19768 1 1491 . 1 1 173 173 ILE HD13 H 1 0.551 0.020 . 1 . . . . 173 ILE HD1 . 19768 1 1492 . 1 1 173 173 ILE C C 13 174.823 0.400 . 1 . . . . 173 ILE C . 19768 1 1493 . 1 1 173 173 ILE CA C 13 61.814 0.400 . 1 . . . . 173 ILE CA . 19768 1 1494 . 1 1 173 173 ILE CB C 13 38.326 0.400 . 1 . . . . 173 ILE CB . 19768 1 1495 . 1 1 173 173 ILE CG1 C 13 26.885 0.400 . 1 . . . . 173 ILE CG1 . 19768 1 1496 . 1 1 173 173 ILE CG2 C 13 17.471 0.400 . 1 . . . . 173 ILE CG2 . 19768 1 1497 . 1 1 173 173 ILE CD1 C 13 12.926 0.400 . 1 . . . . 173 ILE CD1 . 19768 1 1498 . 1 1 173 173 ILE N N 15 119.369 0.400 . 1 . . . . 173 ILE N . 19768 1 1499 . 1 1 174 174 PHE H H 1 7.622 0.020 . 1 . . . . 174 PHE H . 19768 1 1500 . 1 1 174 174 PHE HA H 1 4.453 0.020 . 1 . . . . 174 PHE HA . 19768 1 1501 . 1 1 174 174 PHE HB2 H 1 2.676 0.020 . 2 . . . . 174 PHE HB2 . 19768 1 1502 . 1 1 174 174 PHE HB3 H 1 2.647 0.020 . 2 . . . . 174 PHE HB3 . 19768 1 1503 . 1 1 174 174 PHE HD1 H 1 6.831 0.020 . 1 . . . . 174 PHE HD1 . 19768 1 1504 . 1 1 174 174 PHE HD2 H 1 6.831 0.020 . 1 . . . . 174 PHE HD2 . 19768 1 1505 . 1 1 174 174 PHE HE1 H 1 6.947 0.020 . 1 . . . . 174 PHE HE1 . 19768 1 1506 . 1 1 174 174 PHE HE2 H 1 6.947 0.020 . 1 . . . . 174 PHE HE2 . 19768 1 1507 . 1 1 174 174 PHE HZ H 1 7.035 0.020 . 1 . . . . 174 PHE HZ . 19768 1 1508 . 1 1 174 174 PHE CA C 13 56.040 0.400 . 1 . . . . 174 PHE CA . 19768 1 1509 . 1 1 174 174 PHE N N 15 120.262 0.400 . 1 . . . . 174 PHE N . 19768 1 1510 . 1 1 176 176 ARG C C 13 172.912 0.400 . 1 . . . . 176 ARG C . 19768 1 1511 . 1 1 176 176 ARG CA C 13 54.338 0.400 . 1 . . . . 176 ARG CA . 19768 1 1512 . 1 1 176 176 ARG CB C 13 32.673 0.400 . 1 . . . . 176 ARG CB . 19768 1 1513 . 1 1 177 177 CYS H H 1 8.469 0.020 . 1 . . . . 177 CYS H . 19768 1 1514 . 1 1 177 177 CYS HA H 1 4.441 0.020 . 1 . . . . 177 CYS HA . 19768 1 1515 . 1 1 177 177 CYS HB2 H 1 3.280 0.020 . 2 . . . . 177 CYS HB2 . 19768 1 1516 . 1 1 177 177 CYS HB3 H 1 2.716 0.020 . 2 . . . . 177 CYS HB3 . 19768 1 1517 . 1 1 177 177 CYS C C 13 173.308 0.400 . 1 . . . . 177 CYS C . 19768 1 1518 . 1 1 177 177 CYS CA C 13 54.092 0.400 . 1 . . . . 177 CYS CA . 19768 1 1519 . 1 1 177 177 CYS CB C 13 40.144 0.400 . 1 . . . . 177 CYS CB . 19768 1 1520 . 1 1 177 177 CYS N N 15 119.290 0.400 . 1 . . . . 177 CYS N . 19768 1 1521 . 1 1 178 178 ASP H H 1 8.037 0.020 . 1 . . . . 178 ASP H . 19768 1 1522 . 1 1 178 178 ASP HA H 1 4.646 0.020 . 1 . . . . 178 ASP HA . 19768 1 1523 . 1 1 178 178 ASP HB2 H 1 2.850 0.020 . 2 . . . . 178 ASP HB2 . 19768 1 1524 . 1 1 178 178 ASP HB3 H 1 2.449 0.020 . 2 . . . . 178 ASP HB3 . 19768 1 1525 . 1 1 178 178 ASP C C 13 176.501 0.400 . 1 . . . . 178 ASP C . 19768 1 1526 . 1 1 178 178 ASP CA C 13 53.132 0.400 . 1 . . . . 178 ASP CA . 19768 1 1527 . 1 1 178 178 ASP CB C 13 42.341 0.400 . 1 . . . . 178 ASP CB . 19768 1 1528 . 1 1 178 178 ASP N N 15 117.628 0.400 . 1 . . . . 178 ASP N . 19768 1 1529 . 1 1 179 179 CYS H H 1 8.733 0.020 . 1 . . . . 179 CYS H . 19768 1 1530 . 1 1 179 179 CYS C C 13 176.063 0.400 . 1 . . . . 179 CYS C . 19768 1 1531 . 1 1 179 179 CYS CA C 13 55.925 0.400 . 1 . . . . 179 CYS CA . 19768 1 1532 . 1 1 179 179 CYS CB C 13 39.311 0.400 . 1 . . . . 179 CYS CB . 19768 1 1533 . 1 1 179 179 CYS N N 15 116.356 0.400 . 1 . . . . 179 CYS N . 19768 1 1534 . 1 1 180 180 GLY H H 1 8.514 0.020 . 1 . . . . 180 GLY H . 19768 1 1535 . 1 1 180 180 GLY HA2 H 1 3.855 0.020 . 2 . . . . 180 GLY HA2 . 19768 1 1536 . 1 1 180 180 GLY HA3 H 1 3.855 0.020 . 2 . . . . 180 GLY HA3 . 19768 1 1537 . 1 1 180 180 GLY CA C 13 44.776 0.400 . 1 . . . . 180 GLY CA . 19768 1 1538 . 1 1 180 180 GLY N N 15 109.648 0.400 . 1 . . . . 180 GLY N . 19768 1 1539 . 1 1 181 181 PRO C C 13 178.099 0.400 . 1 . . . . 181 PRO C . 19768 1 1540 . 1 1 181 181 PRO CA C 13 63.400 0.400 . 1 . . . . 181 PRO CA . 19768 1 1541 . 1 1 181 181 PRO CB C 13 31.654 0.400 . 1 . . . . 181 PRO CB . 19768 1 1542 . 1 1 182 182 GLY H H 1 8.764 0.020 . 1 . . . . 182 GLY H . 19768 1 1543 . 1 1 182 182 GLY HA2 H 1 4.569 0.020 . 2 . . . . 182 GLY HA2 . 19768 1 1544 . 1 1 182 182 GLY HA3 H 1 4.569 0.020 . 2 . . . . 182 GLY HA3 . 19768 1 1545 . 1 1 182 182 GLY C C 13 173.220 0.400 . 1 . . . . 182 GLY C . 19768 1 1546 . 1 1 182 182 GLY CA C 13 45.202 0.400 . 1 . . . . 182 GLY CA . 19768 1 1547 . 1 1 182 182 GLY N N 15 111.347 0.400 . 1 . . . . 182 GLY N . 19768 1 1548 . 1 1 183 183 LEU H H 1 7.649 0.020 . 1 . . . . 183 LEU H . 19768 1 1549 . 1 1 183 183 LEU HA H 1 5.081 0.020 . 1 . . . . 183 LEU HA . 19768 1 1550 . 1 1 183 183 LEU HB2 H 1 1.285 0.020 . 2 . . . . 183 LEU HB2 . 19768 1 1551 . 1 1 183 183 LEU HB3 H 1 1.285 0.020 . 2 . . . . 183 LEU HB3 . 19768 1 1552 . 1 1 183 183 LEU HG H 1 0.640 0.020 . 1 . . . . 183 LEU HG . 19768 1 1553 . 1 1 183 183 LEU HD11 H 1 0.492 0.020 . 2 . . . . 183 LEU HD1 . 19768 1 1554 . 1 1 183 183 LEU HD12 H 1 0.492 0.020 . 2 . . . . 183 LEU HD1 . 19768 1 1555 . 1 1 183 183 LEU HD13 H 1 0.492 0.020 . 2 . . . . 183 LEU HD1 . 19768 1 1556 . 1 1 183 183 LEU C C 13 175.515 0.400 . 1 . . . . 183 LEU C . 19768 1 1557 . 1 1 183 183 LEU CA C 13 52.612 0.400 . 1 . . . . 183 LEU CA . 19768 1 1558 . 1 1 183 183 LEU CB C 13 45.843 0.400 . 1 . . . . 183 LEU CB . 19768 1 1559 . 1 1 183 183 LEU CG C 13 26.344 0.400 . 1 . . . . 183 LEU CG . 19768 1 1560 . 1 1 183 183 LEU CD1 C 13 23.004 0.400 . 1 . . . . 183 LEU CD1 . 19768 1 1561 . 1 1 183 183 LEU N N 15 120.059 0.400 . 1 . . . . 183 LEU N . 19768 1 1562 . 1 1 184 184 LEU H H 1 9.037 0.020 . 1 . . . . 184 LEU H . 19768 1 1563 . 1 1 184 184 LEU HA H 1 4.517 0.020 . 1 . . . . 184 LEU HA . 19768 1 1564 . 1 1 184 184 LEU HB2 H 1 1.301 0.020 . 2 . . . . 184 LEU HB2 . 19768 1 1565 . 1 1 184 184 LEU HB3 H 1 1.301 0.020 . 2 . . . . 184 LEU HB3 . 19768 1 1566 . 1 1 184 184 LEU HG H 1 1.331 0.020 . 1 . . . . 184 LEU HG . 19768 1 1567 . 1 1 184 184 LEU HD11 H 1 0.783 0.020 . 2 . . . . 184 LEU HD1 . 19768 1 1568 . 1 1 184 184 LEU HD12 H 1 0.783 0.020 . 2 . . . . 184 LEU HD1 . 19768 1 1569 . 1 1 184 184 LEU HD13 H 1 0.783 0.020 . 2 . . . . 184 LEU HD1 . 19768 1 1570 . 1 1 184 184 LEU C C 13 175.593 0.400 . 1 . . . . 184 LEU C . 19768 1 1571 . 1 1 184 184 LEU CA C 13 53.253 0.400 . 1 . . . . 184 LEU CA . 19768 1 1572 . 1 1 184 184 LEU CB C 13 46.819 0.400 . 1 . . . . 184 LEU CB . 19768 1 1573 . 1 1 184 184 LEU CG C 13 26.667 0.400 . 1 . . . . 184 LEU CG . 19768 1 1574 . 1 1 184 184 LEU CD1 C 13 23.844 0.400 . 1 . . . . 184 LEU CD1 . 19768 1 1575 . 1 1 184 184 LEU N N 15 119.874 0.400 . 1 . . . . 184 LEU N . 19768 1 1576 . 1 1 185 185 CYS H H 1 8.803 0.020 . 1 . . . . 185 CYS H . 19768 1 1577 . 1 1 185 185 CYS HA H 1 4.620 0.020 . 1 . . . . 185 CYS HA . 19768 1 1578 . 1 1 185 185 CYS HB2 H 1 3.146 0.020 . 2 . . . . 185 CYS HB2 . 19768 1 1579 . 1 1 185 185 CYS HB3 H 1 2.845 0.020 . 2 . . . . 185 CYS HB3 . 19768 1 1580 . 1 1 185 185 CYS C C 13 174.284 0.400 . 1 . . . . 185 CYS C . 19768 1 1581 . 1 1 185 185 CYS CA C 13 55.539 0.400 . 1 . . . . 185 CYS CA . 19768 1 1582 . 1 1 185 185 CYS CB C 13 39.314 0.400 . 1 . . . . 185 CYS CB . 19768 1 1583 . 1 1 185 185 CYS N N 15 123.382 0.400 . 1 . . . . 185 CYS N . 19768 1 1584 . 1 1 186 186 ARG H H 1 8.335 0.020 . 1 . . . . 186 ARG H . 19768 1 1585 . 1 1 186 186 ARG HA H 1 4.766 0.020 . 1 . . . . 186 ARG HA . 19768 1 1586 . 1 1 186 186 ARG HB2 H 1 1.815 0.020 . 2 . . . . 186 ARG HB2 . 19768 1 1587 . 1 1 186 186 ARG HB3 H 1 1.541 0.020 . 2 . . . . 186 ARG HB3 . 19768 1 1588 . 1 1 186 186 ARG HG2 H 1 1.469 0.020 . 2 . . . . 186 ARG HG2 . 19768 1 1589 . 1 1 186 186 ARG HG3 H 1 1.433 0.020 . 2 . . . . 186 ARG HG3 . 19768 1 1590 . 1 1 186 186 ARG HD2 H 1 3.165 0.020 . 2 . . . . 186 ARG HD2 . 19768 1 1591 . 1 1 186 186 ARG HD3 H 1 3.055 0.020 . 2 . . . . 186 ARG HD3 . 19768 1 1592 . 1 1 186 186 ARG C C 13 175.274 0.400 . 1 . . . . 186 ARG C . 19768 1 1593 . 1 1 186 186 ARG CA C 13 54.184 0.400 . 1 . . . . 186 ARG CA . 19768 1 1594 . 1 1 186 186 ARG CB C 13 35.069 0.400 . 1 . . . . 186 ARG CB . 19768 1 1595 . 1 1 186 186 ARG CG C 13 26.944 0.400 . 1 . . . . 186 ARG CG . 19768 1 1596 . 1 1 186 186 ARG CD C 13 43.444 0.400 . 1 . . . . 186 ARG CD . 19768 1 1597 . 1 1 186 186 ARG N N 15 130.285 0.400 . 1 . . . . 186 ARG N . 19768 1 1598 . 1 1 187 187 SER H H 1 8.705 0.020 . 1 . . . . 187 SER H . 19768 1 1599 . 1 1 187 187 SER HA H 1 4.235 0.020 . 1 . . . . 187 SER HA . 19768 1 1600 . 1 1 187 187 SER HB2 H 1 3.800 0.020 . 2 . . . . 187 SER HB2 . 19768 1 1601 . 1 1 187 187 SER HB3 H 1 3.752 0.020 . 2 . . . . 187 SER HB3 . 19768 1 1602 . 1 1 187 187 SER C C 13 174.375 0.400 . 1 . . . . 187 SER C . 19768 1 1603 . 1 1 187 187 SER CA C 13 59.370 0.400 . 1 . . . . 187 SER CA . 19768 1 1604 . 1 1 187 187 SER CB C 13 63.684 0.400 . 1 . . . . 187 SER CB . 19768 1 1605 . 1 1 187 187 SER N N 15 119.191 0.400 . 1 . . . . 187 SER N . 19768 1 1606 . 1 1 188 188 GLN H H 1 8.603 0.020 . 1 . . . . 188 GLN H . 19768 1 1607 . 1 1 188 188 GLN HA H 1 4.302 0.020 . 1 . . . . 188 GLN HA . 19768 1 1608 . 1 1 188 188 GLN HB2 H 1 1.975 0.020 . 2 . . . . 188 GLN HB2 . 19768 1 1609 . 1 1 188 188 GLN HB3 H 1 1.818 0.020 . 2 . . . . 188 GLN HB3 . 19768 1 1610 . 1 1 188 188 GLN HG2 H 1 2.205 0.020 . 2 . . . . 188 GLN HG2 . 19768 1 1611 . 1 1 188 188 GLN HG3 H 1 2.205 0.020 . 2 . . . . 188 GLN HG3 . 19768 1 1612 . 1 1 188 188 GLN C C 13 175.374 0.400 . 1 . . . . 188 GLN C . 19768 1 1613 . 1 1 188 188 GLN CA C 13 55.413 0.400 . 1 . . . . 188 GLN CA . 19768 1 1614 . 1 1 188 188 GLN CB C 13 30.546 0.400 . 1 . . . . 188 GLN CB . 19768 1 1615 . 1 1 188 188 GLN N N 15 124.184 0.400 . 1 . . . . 188 GLN N . 19768 1 1616 . 1 1 189 189 LEU H H 1 8.434 0.020 . 1 . . . . 189 LEU H . 19768 1 1617 . 1 1 189 189 LEU HA H 1 4.329 0.020 . 1 . . . . 189 LEU HA . 19768 1 1618 . 1 1 189 189 LEU HB2 H 1 1.525 0.020 . 2 . . . . 189 LEU HB2 . 19768 1 1619 . 1 1 189 189 LEU HB3 H 1 1.525 0.020 . 2 . . . . 189 LEU HB3 . 19768 1 1620 . 1 1 189 189 LEU HG H 1 1.466 0.020 . 1 . . . . 189 LEU HG . 19768 1 1621 . 1 1 189 189 LEU HD11 H 1 0.758 0.020 . 2 . . . . 189 LEU HD1 . 19768 1 1622 . 1 1 189 189 LEU HD12 H 1 0.758 0.020 . 2 . . . . 189 LEU HD1 . 19768 1 1623 . 1 1 189 189 LEU HD13 H 1 0.758 0.020 . 2 . . . . 189 LEU HD1 . 19768 1 1624 . 1 1 189 189 LEU C C 13 177.324 0.400 . 1 . . . . 189 LEU C . 19768 1 1625 . 1 1 189 189 LEU CA C 13 55.336 0.400 . 1 . . . . 189 LEU CA . 19768 1 1626 . 1 1 189 189 LEU CB C 13 41.944 0.400 . 1 . . . . 189 LEU CB . 19768 1 1627 . 1 1 189 189 LEU CG C 13 27.234 0.400 . 1 . . . . 189 LEU CG . 19768 1 1628 . 1 1 189 189 LEU CD1 C 13 23.434 0.400 . 1 . . . . 189 LEU CD1 . 19768 1 1629 . 1 1 189 189 LEU N N 15 125.246 0.400 . 1 . . . . 189 LEU N . 19768 1 1630 . 1 1 190 190 THR H H 1 7.939 0.020 . 1 . . . . 190 THR H . 19768 1 1631 . 1 1 190 190 THR HA H 1 4.354 0.020 . 1 . . . . 190 THR HA . 19768 1 1632 . 1 1 190 190 THR HB H 1 4.199 0.020 . 1 . . . . 190 THR HB . 19768 1 1633 . 1 1 190 190 THR HG21 H 1 1.069 0.020 . 1 . . . . 190 THR HG2 . 19768 1 1634 . 1 1 190 190 THR HG22 H 1 1.069 0.020 . 1 . . . . 190 THR HG2 . 19768 1 1635 . 1 1 190 190 THR HG23 H 1 1.069 0.020 . 1 . . . . 190 THR HG2 . 19768 1 1636 . 1 1 190 190 THR C C 13 174.964 0.400 . 1 . . . . 190 THR C . 19768 1 1637 . 1 1 190 190 THR CA C 13 60.678 0.400 . 1 . . . . 190 THR CA . 19768 1 1638 . 1 1 190 190 THR CB C 13 69.824 0.400 . 1 . . . . 190 THR CB . 19768 1 1639 . 1 1 190 190 THR CG2 C 13 21.286 0.400 . 1 . . . . 190 THR CG2 . 19768 1 1640 . 1 1 190 190 THR N N 15 114.359 0.400 . 1 . . . . 190 THR N . 19768 1 1641 . 1 1 191 191 SER H H 1 7.895 0.020 . 1 . . . . 191 SER H . 19768 1 1642 . 1 1 191 191 SER CA C 13 57.815 0.400 . 1 . . . . 191 SER CA . 19768 1 1643 . 1 1 191 191 SER N N 15 121.641 0.400 . 1 . . . . 191 SER N . 19768 1 1644 . 1 1 192 192 ASN C C 13 172.918 0.400 . 1 . . . . 192 ASN C . 19768 1 1645 . 1 1 192 192 ASN CA C 13 55.094 0.400 . 1 . . . . 192 ASN CA . 19768 1 1646 . 1 1 192 192 ASN CB C 13 39.361 0.400 . 1 . . . . 192 ASN CB . 19768 1 1647 . 1 1 193 193 ARG H H 1 8.966 0.020 . 1 . . . . 193 ARG H . 19768 1 1648 . 1 1 193 193 ARG HA H 1 4.626 0.020 . 1 . . . . 193 ARG HA . 19768 1 1649 . 1 1 193 193 ARG HB2 H 1 1.059 0.020 . 2 . . . . 193 ARG HB2 . 19768 1 1650 . 1 1 193 193 ARG HB3 H 1 1.059 0.020 . 2 . . . . 193 ARG HB3 . 19768 1 1651 . 1 1 193 193 ARG C C 13 175.691 0.400 . 1 . . . . 193 ARG C . 19768 1 1652 . 1 1 193 193 ARG CA C 13 50.454 0.400 . 1 . . . . 193 ARG CA . 19768 1 1653 . 1 1 193 193 ARG CB C 13 22.255 0.400 . 1 . . . . 193 ARG CB . 19768 1 1654 . 1 1 193 193 ARG N N 15 135.123 0.400 . 1 . . . . 193 ARG N . 19768 1 1655 . 1 1 194 194 GLN H H 1 8.325 0.020 . 1 . . . . 194 GLN H . 19768 1 1656 . 1 1 194 194 GLN C C 13 174.646 0.400 . 1 . . . . 194 GLN C . 19768 1 1657 . 1 1 194 194 GLN CA C 13 57.284 0.400 . 1 . . . . 194 GLN CA . 19768 1 1658 . 1 1 194 194 GLN CB C 13 30.103 0.400 . 1 . . . . 194 GLN CB . 19768 1 1659 . 1 1 194 194 GLN N N 15 120.806 0.400 . 1 . . . . 194 GLN N . 19768 1 1660 . 1 1 195 195 HIS H H 1 8.260 0.020 . 1 . . . . 195 HIS H . 19768 1 1661 . 1 1 195 195 HIS HA H 1 4.569 0.020 . 1 . . . . 195 HIS HA . 19768 1 1662 . 1 1 195 195 HIS HB2 H 1 3.150 0.020 . 2 . . . . 195 HIS HB2 . 19768 1 1663 . 1 1 195 195 HIS HB3 H 1 3.005 0.020 . 2 . . . . 195 HIS HB3 . 19768 1 1664 . 1 1 195 195 HIS C C 13 174.387 0.400 . 1 . . . . 195 HIS C . 19768 1 1665 . 1 1 195 195 HIS CA C 13 55.314 0.400 . 1 . . . . 195 HIS CA . 19768 1 1666 . 1 1 195 195 HIS CB C 13 29.584 0.400 . 1 . . . . 195 HIS CB . 19768 1 1667 . 1 1 195 195 HIS N N 15 120.855 0.400 . 1 . . . . 195 HIS N . 19768 1 1668 . 1 1 196 196 ALA H H 1 8.133 0.020 . 1 . . . . 196 ALA H . 19768 1 1669 . 1 1 196 196 ALA HA H 1 4.203 0.020 . 1 . . . . 196 ALA HA . 19768 1 1670 . 1 1 196 196 ALA HB1 H 1 1.278 0.020 . 1 . . . . 196 ALA HB . 19768 1 1671 . 1 1 196 196 ALA HB2 H 1 1.278 0.020 . 1 . . . . 196 ALA HB . 19768 1 1672 . 1 1 196 196 ALA HB3 H 1 1.278 0.020 . 1 . . . . 196 ALA HB . 19768 1 1673 . 1 1 196 196 ALA C C 13 177.763 0.400 . 1 . . . . 196 ALA C . 19768 1 1674 . 1 1 196 196 ALA CA C 13 52.486 0.400 . 1 . . . . 196 ALA CA . 19768 1 1675 . 1 1 196 196 ALA CB C 13 19.291 0.400 . 1 . . . . 196 ALA CB . 19768 1 1676 . 1 1 196 196 ALA N N 15 125.496 0.400 . 1 . . . . 196 ALA N . 19768 1 1677 . 1 1 197 197 ARG H H 1 8.097 0.020 . 1 . . . . 197 ARG H . 19768 1 1678 . 1 1 197 197 ARG CA C 13 55.850 0.400 . 1 . . . . 197 ARG CA . 19768 1 1679 . 1 1 197 197 ARG CB C 13 30.509 0.400 . 1 . . . . 197 ARG CB . 19768 1 1680 . 1 1 197 197 ARG N N 15 119.973 0.400 . 1 . . . . 197 ARG N . 19768 1 1681 . 1 1 198 198 LEU H H 1 7.905 0.020 . 1 . . . . 198 LEU H . 19768 1 1682 . 1 1 198 198 LEU HA H 1 4.351 0.020 . 1 . . . . 198 LEU HA . 19768 1 1683 . 1 1 198 198 LEU HB2 H 1 1.454 0.020 . 2 . . . . 198 LEU HB2 . 19768 1 1684 . 1 1 198 198 LEU HB3 H 1 1.454 0.020 . 2 . . . . 198 LEU HB3 . 19768 1 1685 . 1 1 198 198 LEU HD11 H 1 0.722 0.020 . 2 . . . . 198 LEU HD1 . 19768 1 1686 . 1 1 198 198 LEU HD12 H 1 0.722 0.020 . 2 . . . . 198 LEU HD1 . 19768 1 1687 . 1 1 198 198 LEU HD13 H 1 0.722 0.020 . 2 . . . . 198 LEU HD1 . 19768 1 1688 . 1 1 198 198 LEU C C 13 176.017 0.400 . 1 . . . . 198 LEU C . 19768 1 1689 . 1 1 198 198 LEU CA C 13 54.578 0.400 . 1 . . . . 198 LEU CA . 19768 1 1690 . 1 1 198 198 LEU CB C 13 43.569 0.400 . 1 . . . . 198 LEU CB . 19768 1 1691 . 1 1 198 198 LEU CD1 C 13 23.480 0.400 . 1 . . . . 198 LEU CD1 . 19768 1 1692 . 1 1 198 198 LEU N N 15 122.830 0.400 . 1 . . . . 198 LEU N . 19768 1 1693 . 1 1 199 199 ARG H H 1 8.182 0.020 . 1 . . . . 199 ARG H . 19768 1 1694 . 1 1 199 199 ARG C C 13 175.354 0.400 . 1 . . . . 199 ARG C . 19768 1 1695 . 1 1 199 199 ARG CA C 13 55.659 0.400 . 1 . . . . 199 ARG CA . 19768 1 1696 . 1 1 199 199 ARG CB C 13 32.742 0.400 . 1 . . . . 199 ARG CB . 19768 1 1697 . 1 1 199 199 ARG N N 15 123.191 0.400 . 1 . . . . 199 ARG N . 19768 1 1698 . 1 1 200 200 VAL H H 1 8.161 0.020 . 1 . . . . 200 VAL H . 19768 1 1699 . 1 1 200 200 VAL HA H 1 5.046 0.020 . 1 . . . . 200 VAL HA . 19768 1 1700 . 1 1 200 200 VAL HB H 1 1.532 0.020 . 1 . . . . 200 VAL HB . 19768 1 1701 . 1 1 200 200 VAL HG11 H 1 0.618 0.020 . 2 . . . . 200 VAL HG1 . 19768 1 1702 . 1 1 200 200 VAL HG12 H 1 0.618 0.020 . 2 . . . . 200 VAL HG1 . 19768 1 1703 . 1 1 200 200 VAL HG13 H 1 0.618 0.020 . 2 . . . . 200 VAL HG1 . 19768 1 1704 . 1 1 200 200 VAL HG21 H 1 0.598 0.020 . 2 . . . . 200 VAL HG2 . 19768 1 1705 . 1 1 200 200 VAL HG22 H 1 0.598 0.020 . 2 . . . . 200 VAL HG2 . 19768 1 1706 . 1 1 200 200 VAL HG23 H 1 0.598 0.020 . 2 . . . . 200 VAL HG2 . 19768 1 1707 . 1 1 200 200 VAL C C 13 176.981 0.400 . 1 . . . . 200 VAL C . 19768 1 1708 . 1 1 200 200 VAL CA C 13 58.551 0.400 . 1 . . . . 200 VAL CA . 19768 1 1709 . 1 1 200 200 VAL CB C 13 36.982 0.400 . 1 . . . . 200 VAL CB . 19768 1 1710 . 1 1 200 200 VAL CG1 C 13 18.752 0.400 . 1 . . . . 200 VAL CG1 . 19768 1 1711 . 1 1 200 200 VAL CG2 C 13 21.422 0.400 . 1 . . . . 200 VAL CG2 . 19768 1 1712 . 1 1 200 200 VAL N N 15 113.755 0.400 . 1 . . . . 200 VAL N . 19768 1 1713 . 1 1 201 201 CYS H H 1 8.235 0.020 . 1 . . . . 201 CYS H . 19768 1 1714 . 1 1 201 201 CYS HA H 1 4.828 0.020 . 1 . . . . 201 CYS HA . 19768 1 1715 . 1 1 201 201 CYS HB2 H 1 3.101 0.020 . 2 . . . . 201 CYS HB2 . 19768 1 1716 . 1 1 201 201 CYS HB3 H 1 2.513 0.020 . 2 . . . . 201 CYS HB3 . 19768 1 1717 . 1 1 201 201 CYS C C 13 175.799 0.400 . 1 . . . . 201 CYS C . 19768 1 1718 . 1 1 201 201 CYS CA C 13 54.417 0.400 . 1 . . . . 201 CYS CA . 19768 1 1719 . 1 1 201 201 CYS CB C 13 39.061 0.400 . 1 . . . . 201 CYS CB . 19768 1 1720 . 1 1 201 201 CYS N N 15 119.980 0.400 . 1 . . . . 201 CYS N . 19768 1 1721 . 1 1 202 202 GLN H H 1 9.400 0.020 . 1 . . . . 202 GLN H . 19768 1 1722 . 1 1 202 202 GLN HA H 1 4.839 0.020 . 1 . . . . 202 GLN HA . 19768 1 1723 . 1 1 202 202 GLN HB2 H 1 2.079 0.020 . 2 . . . . 202 GLN HB2 . 19768 1 1724 . 1 1 202 202 GLN HB3 H 1 1.619 0.020 . 2 . . . . 202 GLN HB3 . 19768 1 1725 . 1 1 202 202 GLN C C 13 174.883 0.400 . 1 . . . . 202 GLN C . 19768 1 1726 . 1 1 202 202 GLN CA C 13 54.474 0.400 . 1 . . . . 202 GLN CA . 19768 1 1727 . 1 1 202 202 GLN CB C 13 33.615 0.400 . 1 . . . . 202 GLN CB . 19768 1 1728 . 1 1 202 202 GLN N N 15 126.123 0.400 . 1 . . . . 202 GLN N . 19768 1 1729 . 1 1 203 203 LYS H H 1 8.998 0.020 . 1 . . . . 203 LYS H . 19768 1 1730 . 1 1 203 203 LYS HA H 1 4.268 0.020 . 1 . . . . 203 LYS HA . 19768 1 1731 . 1 1 203 203 LYS HB2 H 1 1.743 0.020 . 2 . . . . 203 LYS HB2 . 19768 1 1732 . 1 1 203 203 LYS HB3 H 1 1.743 0.020 . 2 . . . . 203 LYS HB3 . 19768 1 1733 . 1 1 203 203 LYS HG2 H 1 1.377 0.020 . 2 . . . . 203 LYS HG2 . 19768 1 1734 . 1 1 203 203 LYS HG3 H 1 1.261 0.020 . 2 . . . . 203 LYS HG3 . 19768 1 1735 . 1 1 203 203 LYS HE2 H 1 2.902 0.020 . 2 . . . . 203 LYS HE2 . 19768 1 1736 . 1 1 203 203 LYS HE3 H 1 2.902 0.020 . 2 . . . . 203 LYS HE3 . 19768 1 1737 . 1 1 203 203 LYS C C 13 177.275 0.400 . 1 . . . . 203 LYS C . 19768 1 1738 . 1 1 203 203 LYS CA C 13 57.204 0.400 . 1 . . . . 203 LYS CA . 19768 1 1739 . 1 1 203 203 LYS CB C 13 33.019 0.400 . 1 . . . . 203 LYS CB . 19768 1 1740 . 1 1 203 203 LYS CG C 13 25.419 0.400 . 1 . . . . 203 LYS CG . 19768 1 1741 . 1 1 203 203 LYS CE C 13 41.589 0.400 . 1 . . . . 203 LYS CE . 19768 1 1742 . 1 1 203 203 LYS N N 15 123.297 0.400 . 1 . . . . 203 LYS N . 19768 1 1743 . 1 1 204 204 ILE H H 1 7.817 0.020 . 1 . . . . 204 ILE H . 19768 1 1744 . 1 1 204 204 ILE HA H 1 3.707 0.020 . 1 . . . . 204 ILE HA . 19768 1 1745 . 1 1 204 204 ILE HB H 1 1.559 0.020 . 1 . . . . 204 ILE HB . 19768 1 1746 . 1 1 204 204 ILE HG12 H 1 1.283 0.020 . 2 . . . . 204 ILE HG12 . 19768 1 1747 . 1 1 204 204 ILE HG13 H 1 0.913 0.020 . 2 . . . . 204 ILE HG13 . 19768 1 1748 . 1 1 204 204 ILE HG21 H 1 0.750 0.020 . 1 . . . . 204 ILE HG2 . 19768 1 1749 . 1 1 204 204 ILE HG22 H 1 0.750 0.020 . 1 . . . . 204 ILE HG2 . 19768 1 1750 . 1 1 204 204 ILE HG23 H 1 0.750 0.020 . 1 . . . . 204 ILE HG2 . 19768 1 1751 . 1 1 204 204 ILE HD11 H 1 0.685 0.020 . 1 . . . . 204 ILE HD1 . 19768 1 1752 . 1 1 204 204 ILE HD12 H 1 0.685 0.020 . 1 . . . . 204 ILE HD1 . 19768 1 1753 . 1 1 204 204 ILE HD13 H 1 0.685 0.020 . 1 . . . . 204 ILE HD1 . 19768 1 1754 . 1 1 204 204 ILE C C 13 176.488 0.400 . 1 . . . . 204 ILE C . 19768 1 1755 . 1 1 204 204 ILE CA C 13 63.193 0.400 . 1 . . . . 204 ILE CA . 19768 1 1756 . 1 1 204 204 ILE CB C 13 38.667 0.400 . 1 . . . . 204 ILE CB . 19768 1 1757 . 1 1 204 204 ILE CG1 C 13 28.630 0.400 . 1 . . . . 204 ILE CG1 . 19768 1 1758 . 1 1 204 204 ILE CG2 C 13 17.273 0.400 . 1 . . . . 204 ILE CG2 . 19768 1 1759 . 1 1 204 204 ILE CD1 C 13 13.385 0.400 . 1 . . . . 204 ILE CD1 . 19768 1 1760 . 1 1 204 204 ILE N N 15 123.536 0.400 . 1 . . . . 204 ILE N . 19768 1 1761 . 1 1 205 205 GLU H H 1 8.670 0.020 . 1 . . . . 205 GLU H . 19768 1 1762 . 1 1 205 205 GLU HA H 1 4.135 0.020 . 1 . . . . 205 GLU HA . 19768 1 1763 . 1 1 205 205 GLU HB2 H 1 1.868 0.020 . 2 . . . . 205 GLU HB2 . 19768 1 1764 . 1 1 205 205 GLU HB3 H 1 1.868 0.020 . 2 . . . . 205 GLU HB3 . 19768 1 1765 . 1 1 205 205 GLU HG2 H 1 2.134 0.020 . 2 . . . . 205 GLU HG2 . 19768 1 1766 . 1 1 205 205 GLU HG3 H 1 2.134 0.020 . 2 . . . . 205 GLU HG3 . 19768 1 1767 . 1 1 205 205 GLU CA C 13 57.225 0.400 . 1 . . . . 205 GLU CA . 19768 1 1768 . 1 1 205 205 GLU CB C 13 30.147 0.400 . 1 . . . . 205 GLU CB . 19768 1 1769 . 1 1 205 205 GLU N N 15 123.131 0.400 . 1 . . . . 205 GLU N . 19768 1 1770 . 1 1 206 206 LYS C C 13 176.232 0.400 . 1 . . . . 206 LYS C . 19768 1 1771 . 1 1 206 206 LYS CA C 13 55.963 0.400 . 1 . . . . 206 LYS CA . 19768 1 1772 . 1 1 206 206 LYS CB C 13 29.182 0.400 . 1 . . . . 206 LYS CB . 19768 1 1773 . 1 1 207 207 LEU H H 1 8.080 0.020 . 1 . . . . 207 LEU H . 19768 1 1774 . 1 1 207 207 LEU HA H 1 4.171 0.020 . 1 . . . . 207 LEU HA . 19768 1 1775 . 1 1 207 207 LEU HB2 H 1 1.531 0.020 . 2 . . . . 207 LEU HB2 . 19768 1 1776 . 1 1 207 207 LEU HB3 H 1 1.531 0.020 . 2 . . . . 207 LEU HB3 . 19768 1 1777 . 1 1 207 207 LEU HG H 1 1.511 0.020 . 1 . . . . 207 LEU HG . 19768 1 1778 . 1 1 207 207 LEU HD11 H 1 0.724 0.020 . 2 . . . . 207 LEU HD1 . 19768 1 1779 . 1 1 207 207 LEU HD12 H 1 0.724 0.020 . 2 . . . . 207 LEU HD1 . 19768 1 1780 . 1 1 207 207 LEU HD13 H 1 0.724 0.020 . 2 . . . . 207 LEU HD1 . 19768 1 1781 . 1 1 207 207 LEU C C 13 177.523 0.400 . 1 . . . . 207 LEU C . 19768 1 1782 . 1 1 207 207 LEU CA C 13 55.393 0.400 . 1 . . . . 207 LEU CA . 19768 1 1783 . 1 1 207 207 LEU CB C 13 42.203 0.400 . 1 . . . . 207 LEU CB . 19768 1 1784 . 1 1 207 207 LEU CG C 13 27.334 0.400 . 1 . . . . 207 LEU CG . 19768 1 1785 . 1 1 207 207 LEU CD1 C 13 23.234 0.400 . 1 . . . . 207 LEU CD1 . 19768 1 1786 . 1 1 207 207 LEU N N 15 122.990 0.400 . 1 . . . . 207 LEU N . 19768 1 1787 . 1 1 208 208 GLU H H 1 8.324 0.020 . 1 . . . . 208 GLU H . 19768 1 1788 . 1 1 208 208 GLU C C 13 176.479 0.400 . 1 . . . . 208 GLU C . 19768 1 1789 . 1 1 208 208 GLU CA C 13 57.087 0.400 . 1 . . . . 208 GLU CA . 19768 1 1790 . 1 1 208 208 GLU CB C 13 29.962 0.400 . 1 . . . . 208 GLU CB . 19768 1 1791 . 1 1 208 208 GLU N N 15 121.198 0.400 . 1 . . . . 208 GLU N . 19768 1 1792 . 1 1 209 209 ASN H H 1 8.093 0.020 . 1 . . . . 209 ASN H . 19768 1 1793 . 1 1 209 209 ASN HA H 1 4.541 0.020 . 1 . . . . 209 ASN HA . 19768 1 1794 . 1 1 209 209 ASN HB2 H 1 2.683 0.020 . 2 . . . . 209 ASN HB2 . 19768 1 1795 . 1 1 209 209 ASN HB3 H 1 2.683 0.020 . 2 . . . . 209 ASN HB3 . 19768 1 1796 . 1 1 209 209 ASN C C 13 175.520 0.400 . 1 . . . . 209 ASN C . 19768 1 1797 . 1 1 209 209 ASN CA C 13 53.724 0.400 . 1 . . . . 209 ASN CA . 19768 1 1798 . 1 1 209 209 ASN CB C 13 38.594 0.400 . 1 . . . . 209 ASN CB . 19768 1 1799 . 1 1 209 209 ASN N N 15 118.588 0.400 . 1 . . . . 209 ASN N . 19768 1 1800 . 1 1 210 210 LEU H H 1 7.887 0.020 . 1 . . . . 210 LEU H . 19768 1 1801 . 1 1 210 210 LEU HA H 1 4.056 0.020 . 1 . . . . 210 LEU HA . 19768 1 1802 . 1 1 210 210 LEU HB2 H 1 1.431 0.020 . 2 . . . . 210 LEU HB2 . 19768 1 1803 . 1 1 210 210 LEU HB3 H 1 1.277 0.020 . 2 . . . . 210 LEU HB3 . 19768 1 1804 . 1 1 210 210 LEU HG H 1 1.435 0.020 . 1 . . . . 210 LEU HG . 19768 1 1805 . 1 1 210 210 LEU HD11 H 1 0.747 0.020 . 2 . . . . 210 LEU HD1 . 19768 1 1806 . 1 1 210 210 LEU HD12 H 1 0.747 0.020 . 2 . . . . 210 LEU HD1 . 19768 1 1807 . 1 1 210 210 LEU HD13 H 1 0.747 0.020 . 2 . . . . 210 LEU HD1 . 19768 1 1808 . 1 1 210 210 LEU HD21 H 1 0.680 0.020 . 2 . . . . 210 LEU HD2 . 19768 1 1809 . 1 1 210 210 LEU HD22 H 1 0.680 0.020 . 2 . . . . 210 LEU HD2 . 19768 1 1810 . 1 1 210 210 LEU HD23 H 1 0.680 0.020 . 2 . . . . 210 LEU HD2 . 19768 1 1811 . 1 1 210 210 LEU C C 13 177.537 0.400 . 1 . . . . 210 LEU C . 19768 1 1812 . 1 1 210 210 LEU CA C 13 55.701 0.400 . 1 . . . . 210 LEU CA . 19768 1 1813 . 1 1 210 210 LEU CB C 13 41.899 0.400 . 1 . . . . 210 LEU CB . 19768 1 1814 . 1 1 210 210 LEU CG C 13 26.682 0.400 . 1 . . . . 210 LEU CG . 19768 1 1815 . 1 1 210 210 LEU CD1 C 13 24.815 0.400 . 1 . . . . 210 LEU CD1 . 19768 1 1816 . 1 1 210 210 LEU CD2 C 13 23.367 0.400 . 1 . . . . 210 LEU CD2 . 19768 1 1817 . 1 1 210 210 LEU N N 15 121.668 0.400 . 1 . . . . 210 LEU N . 19768 1 1818 . 1 1 211 211 TYR H H 1 7.839 0.020 . 1 . . . . 211 TYR H . 19768 1 1819 . 1 1 211 211 TYR HA H 1 4.296 0.020 . 1 . . . . 211 TYR HA . 19768 1 1820 . 1 1 211 211 TYR HB2 H 1 2.840 0.020 . 2 . . . . 211 TYR HB2 . 19768 1 1821 . 1 1 211 211 TYR HB3 H 1 2.799 0.020 . 2 . . . . 211 TYR HB3 . 19768 1 1822 . 1 1 211 211 TYR HD1 H 1 6.809 0.020 . 1 . . . . 211 TYR HD1 . 19768 1 1823 . 1 1 211 211 TYR HD2 H 1 6.809 0.020 . 1 . . . . 211 TYR HD2 . 19768 1 1824 . 1 1 211 211 TYR HE1 H 1 6.623 0.020 . 1 . . . . 211 TYR HE1 . 19768 1 1825 . 1 1 211 211 TYR HE2 H 1 6.623 0.020 . 1 . . . . 211 TYR HE2 . 19768 1 1826 . 1 1 211 211 TYR C C 13 176.157 0.400 . 1 . . . . 211 TYR C . 19768 1 1827 . 1 1 211 211 TYR CA C 13 58.400 0.400 . 1 . . . . 211 TYR CA . 19768 1 1828 . 1 1 211 211 TYR CB C 13 38.173 0.400 . 1 . . . . 211 TYR CB . 19768 1 1829 . 1 1 211 211 TYR N N 15 119.793 0.400 . 1 . . . . 211 TYR N . 19768 1 1830 . 1 1 212 212 PHE H H 1 7.808 0.020 . 1 . . . . 212 PHE H . 19768 1 1831 . 1 1 212 212 PHE HA H 1 4.301 0.020 . 1 . . . . 212 PHE HA . 19768 1 1832 . 1 1 212 212 PHE HB2 H 1 3.026 0.020 . 2 . . . . 212 PHE HB2 . 19768 1 1833 . 1 1 212 212 PHE HB3 H 1 2.914 0.020 . 2 . . . . 212 PHE HB3 . 19768 1 1834 . 1 1 212 212 PHE HD1 H 1 7.114 0.020 . 1 . . . . 212 PHE HD1 . 19768 1 1835 . 1 1 212 212 PHE HD2 H 1 7.114 0.020 . 1 . . . . 212 PHE HD2 . 19768 1 1836 . 1 1 212 212 PHE HE1 H 1 7.019 0.020 . 1 . . . . 212 PHE HE1 . 19768 1 1837 . 1 1 212 212 PHE HE2 H 1 7.019 0.020 . 1 . . . . 212 PHE HE2 . 19768 1 1838 . 1 1 212 212 PHE HZ H 1 7.231 0.020 . 1 . . . . 212 PHE HZ . 19768 1 1839 . 1 1 212 212 PHE C C 13 176.065 0.400 . 1 . . . . 212 PHE C . 19768 1 1840 . 1 1 212 212 PHE CA C 13 58.330 0.400 . 1 . . . . 212 PHE CA . 19768 1 1841 . 1 1 212 212 PHE CB C 13 39.111 0.400 . 1 . . . . 212 PHE CB . 19768 1 1842 . 1 1 212 212 PHE N N 15 120.345 0.400 . 1 . . . . 212 PHE N . 19768 1 1843 . 1 1 213 213 GLN H H 1 8.007 0.020 . 1 . . . . 213 GLN H . 19768 1 1844 . 1 1 213 213 GLN HA H 1 4.110 0.020 . 1 . . . . 213 GLN HA . 19768 1 1845 . 1 1 213 213 GLN HB2 H 1 1.960 0.020 . 2 . . . . 213 GLN HB2 . 19768 1 1846 . 1 1 213 213 GLN HB3 H 1 1.864 0.020 . 2 . . . . 213 GLN HB3 . 19768 1 1847 . 1 1 213 213 GLN HG2 H 1 2.207 0.020 . 2 . . . . 213 GLN HG2 . 19768 1 1848 . 1 1 213 213 GLN HG3 H 1 2.207 0.020 . 2 . . . . 213 GLN HG3 . 19768 1 1849 . 1 1 213 213 GLN C C 13 176.073 0.400 . 1 . . . . 213 GLN C . 19768 1 1850 . 1 1 213 213 GLN CA C 13 56.344 0.400 . 1 . . . . 213 GLN CA . 19768 1 1851 . 1 1 213 213 GLN CB C 13 29.211 0.400 . 1 . . . . 213 GLN CB . 19768 1 1852 . 1 1 213 213 GLN N N 15 120.839 0.400 . 1 . . . . 213 GLN N . 19768 1 1853 . 1 1 214 214 SER H H 1 7.972 0.020 . 1 . . . . 214 SER H . 19768 1 1854 . 1 1 214 214 SER HA H 1 4.258 0.020 . 1 . . . . 214 SER HA . 19768 1 1855 . 1 1 214 214 SER HB2 H 1 3.777 0.020 . 2 . . . . 214 SER HB2 . 19768 1 1856 . 1 1 214 214 SER HB3 H 1 3.777 0.020 . 2 . . . . 214 SER HB3 . 19768 1 1857 . 1 1 214 214 SER C C 13 174.784 0.400 . 1 . . . . 214 SER C . 19768 1 1858 . 1 1 214 214 SER CA C 13 58.524 0.400 . 1 . . . . 214 SER CA . 19768 1 1859 . 1 1 214 214 SER CB C 13 63.367 0.400 . 1 . . . . 214 SER CB . 19768 1 1860 . 1 1 214 214 SER N N 15 116.259 0.400 . 1 . . . . 214 SER N . 19768 1 1861 . 1 1 215 215 LEU H H 1 7.938 0.020 . 1 . . . . 215 LEU H . 19768 1 1862 . 1 1 215 215 LEU HA H 1 4.105 0.020 . 1 . . . . 215 LEU HA . 19768 1 1863 . 1 1 215 215 LEU HB2 H 1 1.429 0.020 . 2 . . . . 215 LEU HB2 . 19768 1 1864 . 1 1 215 215 LEU HB3 H 1 1.429 0.020 . 2 . . . . 215 LEU HB3 . 19768 1 1865 . 1 1 215 215 LEU HG H 1 1.497 0.020 . 1 . . . . 215 LEU HG . 19768 1 1866 . 1 1 215 215 LEU HD11 H 1 0.721 0.020 . 2 . . . . 215 LEU HD1 . 19768 1 1867 . 1 1 215 215 LEU HD12 H 1 0.721 0.020 . 2 . . . . 215 LEU HD1 . 19768 1 1868 . 1 1 215 215 LEU HD13 H 1 0.721 0.020 . 2 . . . . 215 LEU HD1 . 19768 1 1869 . 1 1 215 215 LEU C C 13 177.540 0.400 . 1 . . . . 215 LEU C . 19768 1 1870 . 1 1 215 215 LEU CA C 13 55.425 0.400 . 1 . . . . 215 LEU CA . 19768 1 1871 . 1 1 215 215 LEU CB C 13 41.965 0.400 . 1 . . . . 215 LEU CB . 19768 1 1872 . 1 1 215 215 LEU CG C 13 27.667 0.400 . 1 . . . . 215 LEU CG . 19768 1 1873 . 1 1 215 215 LEU N N 15 123.734 0.400 . 1 . . . . 215 LEU N . 19768 1 1874 . 1 1 216 216 GLU H H 1 7.999 0.020 . 1 . . . . 216 GLU H . 19768 1 1875 . 1 1 216 216 GLU HA H 1 4.012 0.020 . 1 . . . . 216 GLU HA . 19768 1 1876 . 1 1 216 216 GLU HB2 H 1 1.753 0.020 . 2 . . . . 216 GLU HB2 . 19768 1 1877 . 1 1 216 216 GLU HB3 H 1 1.753 0.020 . 2 . . . . 216 GLU HB3 . 19768 1 1878 . 1 1 216 216 GLU HG2 H 1 2.047 0.020 . 2 . . . . 216 GLU HG2 . 19768 1 1879 . 1 1 216 216 GLU HG3 H 1 2.047 0.020 . 2 . . . . 216 GLU HG3 . 19768 1 1880 . 1 1 216 216 GLU CA C 13 56.719 0.400 . 1 . . . . 216 GLU CA . 19768 1 1881 . 1 1 216 216 GLU CB C 13 29.983 0.400 . 1 . . . . 216 GLU CB . 19768 1 1882 . 1 1 216 216 GLU N N 15 120.188 0.400 . 1 . . . . 216 GLU N . 19768 1 stop_ save_