############################## # Heteronuclear NOE values # ############################## save_apo_LangCRD_hNOE_600 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode apo_LangCRD_hNOE_600 _Heteronucl_NOE_list.Entry_ID 26791 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 3 _Heteronucl_NOE_list.Sample_condition_list_label $apo_conditions _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 230000 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 20 '2D 1H-15N HSQC hNOE' . . . 26791 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $SPARKY . . 26791 1 4 $NMRPipe . . 26791 1 5 $relax . . 26791 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 8 8 GLY N N 15 . 1 1 8 8 GLY H H 1 0.517027197 0.013736954 . . . 198 GLY . . 198 GLY . 26791 1 2 . 1 1 9 9 TRP N N 15 . 1 1 9 9 TRP H H 1 0.626791828 0.008135324 . . . 199 TRP . . 199 TRP . 26791 1 3 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.749867741 0.012285195 . . . 200 LYS . . 200 LYS . 26791 1 4 . 1 1 11 11 TYR N N 15 . 1 1 11 11 TYR H H 1 0.747242698 0.013798113 . . . 201 TYR . . 201 TYR . 26791 1 5 . 1 1 12 12 PHE N N 15 . 1 1 12 12 PHE H H 1 0.841418909 0.010882442 . . . 202 PHE . . 202 PHE . 26791 1 6 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.817405237 0.011478355 . . . 203 LYS . . 203 LYS . 26791 1 7 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.802957328 0.014374204 . . . 204 GLY . . 204 GLY . 26791 1 8 . 1 1 16 16 PHE N N 15 . 1 1 16 16 PHE H H 1 0.844349899 0.015747683 . . . 206 PHE . . 206 PHE . 26791 1 9 . 1 1 17 17 TYR N N 15 . 1 1 17 17 TYR H H 1 0.802205619 0.014876335 . . . 207 TYR . . 207 TYR . 26791 1 10 . 1 1 18 18 TYR N N 15 . 1 1 18 18 TYR H H 1 0.830966552 0.014229802 . . . 208 TYR . . 208 TYR . 26791 1 11 . 1 1 20 20 SER N N 15 . 1 1 20 20 SER H H 1 0.809106803 0.012154806 . . . 210 SER . . 210 SER . 26791 1 12 . 1 1 22 22 ILE N N 15 . 1 1 22 22 ILE H H 1 0.761034044 0.012242708 . . . 212 ILE . . 212 ILE . 26791 1 13 . 1 1 24 24 LYS N N 15 . 1 1 24 24 LYS H H 1 0.79982563 0.011148273 . . . 214 LYS . . 214 LYS . 26791 1 14 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.811262956 0.010848191 . . . 215 THR . . 215 THR . 26791 1 15 . 1 1 27 27 TYR N N 15 . 1 1 27 27 TYR H H 1 0.842316802 0.017234392 . . . 217 TYR . . 217 TYR . 26791 1 16 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.8090204 0.011903302 . . . 218 SER . . 218 SER . 26791 1 17 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 0.818931032 0.010301886 . . . 219 ALA . . 219 ALA . 26791 1 18 . 1 1 31 31 GLN N N 15 . 1 1 31 31 GLN H H 1 0.803325118 0.009556868 . . . 221 GLN . . 221 GLN . 26791 1 19 . 1 1 33 33 CYS N N 15 . 1 1 33 33 CYS H H 1 0.816152354 0.010055259 . . . 223 CYS . . 223 CYS . 26791 1 20 . 1 1 34 34 VAL N N 15 . 1 1 34 34 VAL H H 1 0.839948947 0.010728255 . . . 224 VAL . . 224 VAL . 26791 1 21 . 1 1 35 35 SER N N 15 . 1 1 35 35 SER H H 1 0.82727111 0.010291859 . . . 225 SER . . 225 SER . 26791 1 22 . 1 1 36 36 ARG N N 15 . 1 1 36 36 ARG H H 1 0.795531567 0.010442598 . . . 226 ARG . . 226 ARG . 26791 1 23 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.796215677 0.009706449 . . . 227 ASN . . 227 ASN . 26791 1 24 . 1 1 38 38 SER N N 15 . 1 1 38 38 SER H H 1 0.827153399 0.009796235 . . . 228 SER . . 228 SER . 26791 1 25 . 1 1 39 39 HIS N N 15 . 1 1 39 39 HIS H H 1 0.773703247 0.010437469 . . . 229 HIS . . 229 HIS . 26791 1 26 . 1 1 40 40 LEU N N 15 . 1 1 40 40 LEU H H 1 0.836805569 0.013542112 . . . 230 LEU . . 230 LEU . 26791 1 27 . 1 1 42 42 SER N N 15 . 1 1 42 42 SER H H 1 0.807290989 0.017658087 . . . 232 SER . . 232 SER . 26791 1 28 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.797399992 0.013283883 . . . 234 THR . . 234 THR . 26791 1 29 . 1 1 45 45 SER N N 15 . 1 1 45 45 SER H H 1 0.811263042 0.008674614 . . . 235 SER . . 235 SER . 26791 1 30 . 1 1 46 46 GLU N N 15 . 1 1 46 46 GLU H H 1 0.77627386 0.020626846 . . . 236 GLU . . 236 GLU . 26791 1 31 . 1 1 48 48 GLU N N 15 . 1 1 48 48 GLU H H 1 0.838315275 0.011733346 . . . 238 GLU . . 238 GLU . 26791 1 32 . 1 1 50 50 GLU N N 15 . 1 1 50 50 GLU H H 1 0.816950939 0.010637197 . . . 240 GLU . . 240 GLU . 26791 1 33 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.80873848 0.010251554 . . . 241 PHE . . 241 PHE . 26791 1 34 . 1 1 53 53 TYR N N 15 . 1 1 53 53 TYR H H 1 0.824383368 0.009471437 . . . 243 TYR . . 243 TYR . 26791 1 35 . 1 1 54 54 LYS N N 15 . 1 1 54 54 LYS H H 1 0.817300974 0.011665058 . . . 244 LYS . . 244 LYS . 26791 1 36 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 0.79422018 0.012086244 . . . 246 ALA . . 246 ALA . 26791 1 37 . 1 1 57 57 GLY N N 15 . 1 1 57 57 GLY H H 1 0.792434083 0.01412414 . . . 247 GLY . . 247 GLY . 26791 1 38 . 1 1 58 58 GLY N N 15 . 1 1 58 58 GLY H H 1 0.762281495 0.011619559 . . . 248 GLY . . 248 GLY . 26791 1 39 . 1 1 59 59 LEU N N 15 . 1 1 59 59 LEU H H 1 0.821719632 0.010782761 . . . 249 LEU . . 249 LEU . 26791 1 40 . 1 1 60 60 ILE N N 15 . 1 1 60 60 ILE H H 1 0.779255774 0.011421002 . . . 250 ILE . . 250 ILE . 26791 1 41 . 1 1 61 61 TYR N N 15 . 1 1 61 61 TYR H H 1 0.798456857 0.013573094 . . . 251 TYR . . 251 TYR . 26791 1 42 . 1 1 62 62 TRP N N 15 . 1 1 62 62 TRP H H 1 0.821911211 0.017663709 . . . 252 TRP . . 252 TRP . 26791 1 43 . 1 1 63 63 ILE N N 15 . 1 1 63 63 ILE H H 1 0.821584031 0.018745399 . . . 253 ILE . . 253 ILE . 26791 1 44 . 1 1 64 64 GLY N N 15 . 1 1 64 64 GLY H H 1 0.833810265 0.020689938 . . . 254 GLY . . 254 GLY . 26791 1 45 . 1 1 65 65 LEU N N 15 . 1 1 65 65 LEU H H 1 0.81531479 0.013463907 . . . 255 LEU . . 255 LEU . 26791 1 46 . 1 1 66 66 THR N N 15 . 1 1 66 66 THR H H 1 0.803259658 0.015353833 . . . 256 THR . . 256 THR . 26791 1 47 . 1 1 67 67 LYS N N 15 . 1 1 67 67 LYS H H 1 0.751183975 0.015264329 . . . 257 LYS . . 257 LYS . 26791 1 48 . 1 1 69 69 GLY N N 15 . 1 1 69 69 GLY H H 1 0.090623272 0.006934668 . . . 259 GLY . . 259 GLY . 26791 1 49 . 1 1 70 70 MET N N 15 . 1 1 70 70 MET H H 1 0.484378292 0.008340415 . . . 260 MET . . 260 MET . 26791 1 50 . 1 1 71 71 GLU N N 15 . 1 1 71 71 GLU H H 1 0.424774973 0.006064962 . . . 261 GLU . . 261 GLU . 26791 1 51 . 1 1 72 72 GLY N N 15 . 1 1 72 72 GLY H H 1 0.389717983 0.006702036 . . . 262 GLY . . 262 GLY . 26791 1 52 . 1 1 74 74 TRP N N 15 . 1 1 74 74 TRP H H 1 0.540639073 0.029664403 . . . 264 TRP . . 264 TRP . 26791 1 53 . 1 1 76 76 TRP N N 15 . 1 1 76 76 TRP H H 1 0.787041052 0.014507724 . . . 266 TRP . . 266 TRP . 26791 1 54 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.792884111 0.013740056 . . . 267 VAL . . 267 VAL . 26791 1 55 . 1 1 78 78 ASP N N 15 . 1 1 78 78 ASP H H 1 0.55031477 0.005491828 . . . 268 ASP . . 268 ASP . 26791 1 56 . 1 1 80 80 THR N N 15 . 1 1 80 80 THR H H 1 0.792777855 0.010147721 . . . 270 THR . . 270 THR . 26791 1 57 . 1 1 82 82 PHE N N 15 . 1 1 82 82 PHE H H 1 0.799162882 0.010317114 . . . 272 PHE . . 272 PHE . 26791 1 58 . 1 1 83 83 ASN N N 15 . 1 1 83 83 ASN H H 1 0.724976622 0.013641671 . . . 273 ASN . . 273 ASN . 26791 1 59 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.704313463 0.018394843 . . . 274 LYS . . 274 LYS . 26791 1 60 . 1 1 85 85 VAL N N 15 . 1 1 85 85 VAL H H 1 0.663840346 0.00855737 . . . 275 VAL . . 275 VAL . 26791 1 61 . 1 1 86 86 GLN N N 15 . 1 1 86 86 GLN H H 1 0.728445772 0.009741084 . . . 276 GLN . . 276 GLN . 26791 1 62 . 1 1 87 87 SER N N 15 . 1 1 87 87 SER H H 1 0.687981468 0.011137256 . . . 277 SER . . 277 SER . 26791 1 63 . 1 1 88 88 ALA N N 15 . 1 1 88 88 ALA H H 1 0.751738591 0.010688795 . . . 278 ALA . . 278 ALA . 26791 1 64 . 1 1 89 89 ARG N N 15 . 1 1 89 89 ARG H H 1 0.65578604 0.011822912 . . . 279 ARG . . 279 ARG . 26791 1 65 . 1 1 90 90 PHE N N 15 . 1 1 90 90 PHE H H 1 0.756656486 0.013494791 . . . 280 PHE . . 280 PHE . 26791 1 66 . 1 1 91 91 TRP N N 15 . 1 1 91 91 TRP H H 1 0.819216698 0.012118184 . . . 281 TRP . . 281 TRP . 26791 1 67 . 1 1 92 92 ILE N N 15 . 1 1 92 92 ILE H H 1 0.836630132 0.022854443 . . . 282 ILE . . 282 ILE . 26791 1 68 . 1 1 95 95 GLU N N 15 . 1 1 95 95 GLU H H 1 0.835030282 0.014025667 . . . 285 GLU . . 285 GLU . 26791 1 69 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.463737861 0.008092893 . . . 290 GLY . . 290 GLY . 26791 1 70 . 1 1 101 101 ASN N N 15 . 1 1 101 101 ASN H H 1 0.549267424 0.010025404 . . . 291 ASN . . 291 ASN . 26791 1 71 . 1 1 102 102 ASN N N 15 . 1 1 102 102 ASN H H 1 0.21072949 0.020996373 . . . 292 ASN . . 292 ASN . 26791 1 72 . 1 1 107 107 ASN N N 15 . 1 1 107 107 ASN H H 1 0.814742709 0.016441158 . . . 297 ASN . . 297 ASN . 26791 1 73 . 1 1 109 109 LYS N N 15 . 1 1 109 109 LYS H H 1 0.799299583 0.018419099 . . . 299 LYS . . 299 LYS . 26791 1 74 . 1 1 110 110 ALA N N 15 . 1 1 110 110 ALA H H 1 0.659965147 0.011823138 . . . 300 ALA . . 300 ALA . 26791 1 75 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.805068876 0.010509926 . . . 303 LEU . . 303 LEU . 26791 1 76 . 1 1 114 114 GLN N N 15 . 1 1 114 114 GLN H H 1 0.764610666 0.012724957 . . . 304 GLN . . 304 GLN . 26791 1 77 . 1 1 115 115 ALA N N 15 . 1 1 115 115 ALA H H 1 0.728882969 0.013617388 . . . 305 ALA . . 305 ALA . 26791 1 78 . 1 1 116 116 TRP N N 15 . 1 1 116 116 TRP H H 1 0.831309952 0.01382537 . . . 306 TRP . . 306 TRP . 26791 1 79 . 1 1 124 124 THR N N 15 . 1 1 124 124 THR H H 1 0.778809056 0.009426374 . . . 314 THR . . 314 THR . 26791 1 80 . 1 1 125 125 PHE N N 15 . 1 1 125 125 PHE H H 1 0.808859306 0.011783041 . . . 315 PHE . . 315 PHE . 26791 1 81 . 1 1 126 126 LEU N N 15 . 1 1 126 126 LEU H H 1 0.781638625 0.013761469 . . . 316 LEU . . 316 LEU . 26791 1 82 . 1 1 128 128 ILE N N 15 . 1 1 128 128 ILE H H 1 0.890235234 0.017707389 . . . 318 ILE . . 318 ILE . 26791 1 83 . 1 1 129 129 CYS N N 15 . 1 1 129 129 CYS H H 1 0.794844547 0.012224539 . . . 319 CYS . . 319 CYS . 26791 1 84 . 1 1 130 130 LYS N N 15 . 1 1 130 130 LYS H H 1 0.840965989 0.012137877 . . . 320 LYS . . 320 LYS . 26791 1 85 . 1 1 131 131 ARG N N 15 . 1 1 131 131 ARG H H 1 0.790078233 0.012185657 . . . 321 ARG . . 321 ARG . 26791 1 86 . 1 1 133 133 TYR N N 15 . 1 1 133 133 TYR H H 1 0.756188712 0.015060692 . . . 323 TYR . . 323 TYR . 26791 1 87 . 1 1 134 134 VAL N N 15 . 1 1 134 134 VAL H H 1 0.541983477 0.012187274 . . . 324 VAL . . 324 VAL . 26791 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_apo_LangCRD_hNOE_750 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode apo_LangCRD_hNOE_750 _Heteronucl_NOE_list.Entry_ID 26791 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 3 _Heteronucl_NOE_list.Sample_condition_list_label $apo_conditions _Heteronucl_NOE_list.Spectrometer_frequency_1H 750 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 230000 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 20 '2D 1H-15N HSQC hNOE' . . . 26791 2 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $SPARKY . . 26791 2 4 $NMRPipe . . 26791 2 5 $relax . . 26791 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 8 8 GLY N N 15 . 1 1 8 8 GLY H H 1 0.608265917 0.014423414 . . . 198 GLY . . 198 GLY . 26791 2 2 . 1 1 9 9 TRP N N 15 . 1 1 9 9 TRP H H 1 0.735588311 0.012509374 . . . 199 TRP . . 199 TRP . 26791 2 3 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.79890254 0.017564724 . . . 200 LYS . . 200 LYS . 26791 2 4 . 1 1 11 11 TYR N N 15 . 1 1 11 11 TYR H H 1 0.774351137 0.014662729 . . . 201 TYR . . 201 TYR . 26791 2 5 . 1 1 12 12 PHE N N 15 . 1 1 12 12 PHE H H 1 0.839559865 0.014491357 . . . 202 PHE . . 202 PHE . 26791 2 6 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.850814285 0.016788865 . . . 203 LYS . . 203 LYS . 26791 2 7 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.822131944 0.018373623 . . . 204 GLY . . 204 GLY . 26791 2 8 . 1 1 16 16 PHE N N 15 . 1 1 16 16 PHE H H 1 0.844397504 0.016805503 . . . 206 PHE . . 206 PHE . 26791 2 9 . 1 1 17 17 TYR N N 15 . 1 1 17 17 TYR H H 1 0.84614207 0.020396344 . . . 207 TYR . . 207 TYR . 26791 2 10 . 1 1 18 18 TYR N N 15 . 1 1 18 18 TYR H H 1 0.845572906 0.019838337 . . . 208 TYR . . 208 TYR . 26791 2 11 . 1 1 20 20 SER N N 15 . 1 1 20 20 SER H H 1 0.857854088 0.015859946 . . . 210 SER . . 210 SER . 26791 2 12 . 1 1 22 22 ILE N N 15 . 1 1 22 22 ILE H H 1 0.779344055 0.016270355 . . . 212 ILE . . 212 ILE . 26791 2 13 . 1 1 24 24 LYS N N 15 . 1 1 24 24 LYS H H 1 0.796681317 0.014355047 . . . 214 LYS . . 214 LYS . 26791 2 14 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.836374844 0.015282936 . . . 215 THR . . 215 THR . 26791 2 15 . 1 1 27 27 TYR N N 15 . 1 1 27 27 TYR H H 1 0.845762472 0.025595556 . . . 217 TYR . . 217 TYR . 26791 2 16 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.820537722 0.016576102 . . . 218 SER . . 218 SER . 26791 2 17 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 0.83184411 0.014209303 . . . 219 ALA . . 219 ALA . 26791 2 18 . 1 1 31 31 GLN N N 15 . 1 1 31 31 GLN H H 1 0.855072762 0.012566154 . . . 221 GLN . . 221 GLN . 26791 2 19 . 1 1 32 32 PHE N N 15 . 1 1 32 32 PHE H H 1 0.89988708 0.014198359 . . . 222 PHE . . 222 PHE . 26791 2 20 . 1 1 33 33 CYS N N 15 . 1 1 33 33 CYS H H 1 0.84148155 0.013976003 . . . 223 CYS . . 223 CYS . 26791 2 21 . 1 1 34 34 VAL N N 15 . 1 1 34 34 VAL H H 1 0.857565069 0.014798212 . . . 224 VAL . . 224 VAL . 26791 2 22 . 1 1 35 35 SER N N 15 . 1 1 35 35 SER H H 1 0.881685751 0.014946501 . . . 225 SER . . 225 SER . 26791 2 23 . 1 1 36 36 ARG N N 15 . 1 1 36 36 ARG H H 1 0.837842518 0.014030981 . . . 226 ARG . . 226 ARG . 26791 2 24 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.848505128 0.013632372 . . . 227 ASN . . 227 ASN . 26791 2 25 . 1 1 38 38 SER N N 15 . 1 1 38 38 SER H H 1 0.839850828 0.011909108 . . . 228 SER . . 228 SER . 26791 2 26 . 1 1 39 39 HIS N N 15 . 1 1 39 39 HIS H H 1 0.811485526 0.013356427 . . . 229 HIS . . 229 HIS . 26791 2 27 . 1 1 40 40 LEU N N 15 . 1 1 40 40 LEU H H 1 0.850284253 0.019717708 . . . 230 LEU . . 230 LEU . 26791 2 28 . 1 1 42 42 SER N N 15 . 1 1 42 42 SER H H 1 0.863818537 0.026298605 . . . 232 SER . . 232 SER . 26791 2 29 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.814664701 0.019026495 . . . 234 THR . . 234 THR . 26791 2 30 . 1 1 45 45 SER N N 15 . 1 1 45 45 SER H H 1 0.827709718 0.011724731 . . . 235 SER . . 235 SER . 26791 2 31 . 1 1 46 46 GLU N N 15 . 1 1 46 46 GLU H H 1 0.86439567 0.031795215 . . . 236 GLU . . 236 GLU . 26791 2 32 . 1 1 48 48 GLU N N 15 . 1 1 48 48 GLU H H 1 0.871676557 0.015920565 . . . 238 GLU . . 238 GLU . 26791 2 33 . 1 1 50 50 GLU N N 15 . 1 1 50 50 GLU H H 1 0.809508552 0.013124716 . . . 240 GLU . . 240 GLU . 26791 2 34 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.860554708 0.014125995 . . . 241 PHE . . 241 PHE . 26791 2 35 . 1 1 53 53 TYR N N 15 . 1 1 53 53 TYR H H 1 0.861865796 0.012707854 . . . 243 TYR . . 243 TYR . 26791 2 36 . 1 1 54 54 LYS N N 15 . 1 1 54 54 LYS H H 1 0.831413943 0.015896614 . . . 244 LYS . . 244 LYS . 26791 2 37 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 0.849387758 0.017655033 . . . 246 ALA . . 246 ALA . 26791 2 38 . 1 1 57 57 GLY N N 15 . 1 1 57 57 GLY H H 1 0.822340826 0.0182888 . . . 247 GLY . . 247 GLY . 26791 2 39 . 1 1 58 58 GLY N N 15 . 1 1 58 58 GLY H H 1 0.816403131 0.017796519 . . . 248 GLY . . 248 GLY . 26791 2 40 . 1 1 59 59 LEU N N 15 . 1 1 59 59 LEU H H 1 0.842291084 0.014952531 . . . 249 LEU . . 249 LEU . 26791 2 41 . 1 1 60 60 ILE N N 15 . 1 1 60 60 ILE H H 1 0.846399281 0.01682534 . . . 250 ILE . . 250 ILE . 26791 2 42 . 1 1 61 61 TYR N N 15 . 1 1 61 61 TYR H H 1 0.832127587 0.018768772 . . . 251 TYR . . 251 TYR . 26791 2 43 . 1 1 62 62 TRP N N 15 . 1 1 62 62 TRP H H 1 0.838505492 0.024512174 . . . 252 TRP . . 252 TRP . 26791 2 44 . 1 1 63 63 ILE N N 15 . 1 1 63 63 ILE H H 1 0.872243628 0.025553222 . . . 253 ILE . . 253 ILE . 26791 2 45 . 1 1 64 64 GLY N N 15 . 1 1 64 64 GLY H H 1 0.899981542 0.027536367 . . . 254 GLY . . 254 GLY . 26791 2 46 . 1 1 65 65 LEU N N 15 . 1 1 65 65 LEU H H 1 0.875330206 0.01841971 . . . 255 LEU . . 255 LEU . 26791 2 47 . 1 1 66 66 THR N N 15 . 1 1 66 66 THR H H 1 0.818318673 0.018908868 . . . 256 THR . . 256 THR . 26791 2 48 . 1 1 67 67 LYS N N 15 . 1 1 67 67 LYS H H 1 0.820218678 0.022579916 . . . 257 LYS . . 257 LYS . 26791 2 49 . 1 1 69 69 GLY N N 15 . 1 1 69 69 GLY H H 1 0.249174625 0.010300798 . . . 259 GLY . . 259 GLY . 26791 2 50 . 1 1 70 70 MET N N 15 . 1 1 70 70 MET H H 1 0.550880477 0.012013919 . . . 260 MET . . 260 MET . 26791 2 51 . 1 1 71 71 GLU N N 15 . 1 1 71 71 GLU H H 1 0.516316553 0.009349289 . . . 261 GLU . . 261 GLU . 26791 2 52 . 1 1 72 72 GLY N N 15 . 1 1 72 72 GLY H H 1 0.4975697 0.010183392 . . . 262 GLY . . 262 GLY . 26791 2 53 . 1 1 74 74 TRP N N 15 . 1 1 74 74 TRP H H 1 0.713225107 0.048243467 . . . 264 TRP . . 264 TRP . 26791 2 54 . 1 1 75 75 SER N N 15 . 1 1 75 75 SER H H 1 0.821692113 0.020960304 . . . 265 SER . . 265 SER . 26791 2 55 . 1 1 76 76 TRP N N 15 . 1 1 76 76 TRP H H 1 0.807368814 0.022100676 . . . 266 TRP . . 266 TRP . 26791 2 56 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.867050137 0.020221983 . . . 267 VAL . . 267 VAL . 26791 2 57 . 1 1 78 78 ASP N N 15 . 1 1 78 78 ASP H H 1 0.560239312 0.008758168 . . . 268 ASP . . 268 ASP . 26791 2 58 . 1 1 80 80 THR N N 15 . 1 1 80 80 THR H H 1 0.855529177 0.014888281 . . . 270 THR . . 270 THR . 26791 2 59 . 1 1 82 82 PHE N N 15 . 1 1 82 82 PHE H H 1 0.836021399 0.015287187 . . . 272 PHE . . 272 PHE . 26791 2 60 . 1 1 83 83 ASN N N 15 . 1 1 83 83 ASN H H 1 0.771677561 0.020533248 . . . 273 ASN . . 273 ASN . 26791 2 61 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.731706773 0.024727158 . . . 274 LYS . . 274 LYS . 26791 2 62 . 1 1 85 85 VAL N N 15 . 1 1 85 85 VAL H H 1 0.719509505 0.012248168 . . . 275 VAL . . 275 VAL . 26791 2 63 . 1 1 86 86 GLN N N 15 . 1 1 86 86 GLN H H 1 0.761556106 0.015018779 . . . 276 GLN . . 276 GLN . 26791 2 64 . 1 1 87 87 SER N N 15 . 1 1 87 87 SER H H 1 0.756879799 0.015588878 . . . 277 SER . . 277 SER . 26791 2 65 . 1 1 88 88 ALA N N 15 . 1 1 88 88 ALA H H 1 0.807657704 0.015715219 . . . 278 ALA . . 278 ALA . 26791 2 66 . 1 1 89 89 ARG N N 15 . 1 1 89 89 ARG H H 1 0.700520662 0.017158663 . . . 279 ARG . . 279 ARG . 26791 2 67 . 1 1 90 90 PHE N N 15 . 1 1 90 90 PHE H H 1 0.772984409 0.018268035 . . . 280 PHE . . 280 PHE . 26791 2 68 . 1 1 91 91 TRP N N 15 . 1 1 91 91 TRP H H 1 0.811166384 0.017085251 . . . 281 TRP . . 281 TRP . 26791 2 69 . 1 1 92 92 ILE N N 15 . 1 1 92 92 ILE H H 1 0.838092772 0.031663721 . . . 282 ILE . . 282 ILE . 26791 2 70 . 1 1 94 94 GLY N N 15 . 1 1 94 94 GLY H H 1 0.806205567 0.02223052 . . . 284 GLY . . 284 GLY . 26791 2 71 . 1 1 95 95 GLU N N 15 . 1 1 95 95 GLU H H 1 0.758546944 0.017044465 . . . 285 GLU . . 285 GLU . 26791 2 72 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.572564534 0.012354084 . . . 290 GLY . . 290 GLY . 26791 2 73 . 1 1 101 101 ASN N N 15 . 1 1 101 101 ASN H H 1 0.606254688 0.01361772 . . . 291 ASN . . 291 ASN . 26791 2 74 . 1 1 102 102 ASN N N 15 . 1 1 102 102 ASN H H 1 0.47262194 0.032103541 . . . 292 ASN . . 292 ASN . 26791 2 75 . 1 1 107 107 ASN N N 15 . 1 1 107 107 ASN H H 1 0.899242375 0.025012529 . . . 297 ASN . . 297 ASN . 26791 2 76 . 1 1 109 109 LYS N N 15 . 1 1 109 109 LYS H H 1 0.820619626 0.026208847 . . . 299 LYS . . 299 LYS . 26791 2 77 . 1 1 110 110 ALA N N 15 . 1 1 110 110 ALA H H 1 0.707828628 0.016747016 . . . 300 ALA . . 300 ALA . 26791 2 78 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.819410305 0.015336636 . . . 303 LEU . . 303 LEU . 26791 2 79 . 1 1 114 114 GLN N N 15 . 1 1 114 114 GLN H H 1 0.815180743 0.018238607 . . . 304 GLN . . 304 GLN . 26791 2 80 . 1 1 115 115 ALA N N 15 . 1 1 115 115 ALA H H 1 0.782226847 0.022634678 . . . 305 ALA . . 305 ALA . 26791 2 81 . 1 1 116 116 TRP N N 15 . 1 1 116 116 TRP H H 1 0.818854132 0.019966354 . . . 306 TRP . . 306 TRP . 26791 2 82 . 1 1 124 124 THR N N 15 . 1 1 124 124 THR H H 1 0.81781586 0.012820131 . . . 314 THR . . 314 THR . 26791 2 83 . 1 1 125 125 PHE N N 15 . 1 1 125 125 PHE H H 1 0.809406143 0.016940189 . . . 315 PHE . . 315 PHE . 26791 2 84 . 1 1 126 126 LEU N N 15 . 1 1 126 126 LEU H H 1 0.844386355 0.017925566 . . . 316 LEU . . 316 LEU . 26791 2 85 . 1 1 128 128 ILE N N 15 . 1 1 128 128 ILE H H 1 0.884902522 0.020393193 . . . 318 ILE . . 318 ILE . 26791 2 86 . 1 1 129 129 CYS N N 15 . 1 1 129 129 CYS H H 1 0.857851295 0.018121182 . . . 319 CYS . . 319 CYS . 26791 2 87 . 1 1 130 130 LYS N N 15 . 1 1 130 130 LYS H H 1 0.841824776 0.016493692 . . . 320 LYS . . 320 LYS . 26791 2 88 . 1 1 131 131 ARG N N 15 . 1 1 131 131 ARG H H 1 0.86895519 0.017150215 . . . 321 ARG . . 321 ARG . 26791 2 89 . 1 1 133 133 TYR N N 15 . 1 1 133 133 TYR H H 1 0.765249625 0.017819564 . . . 323 TYR . . 323 TYR . 26791 2 90 . 1 1 134 134 VAL N N 15 . 1 1 134 134 VAL H H 1 0.606412308 0.01350311 . . . 324 VAL . . 324 VAL . 26791 2 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_holo_LangCRD_hNOE_600 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode holo_LangCRD_hNOE_600 _Heteronucl_NOE_list.Entry_ID 26791 _Heteronucl_NOE_list.ID 3 _Heteronucl_NOE_list.Sample_condition_list_ID 2 _Heteronucl_NOE_list.Sample_condition_list_label $holo_conditions _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 230000 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 14 '2D 1H-15N HSQC hNOE' . . . 26791 3 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $SPARKY . . 26791 3 4 $NMRPipe . . 26791 3 5 $relax . . 26791 3 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 8 8 GLY N N 15 . 1 1 8 8 GLY H H 1 0.53600345 0.014927432 . . . 198 GLY . . 198 GLY . 26791 3 2 . 1 1 9 9 TRP N N 15 . 1 1 9 9 TRP H H 1 0.636534751 0.008040506 . . . 199 TRP . . 199 TRP . 26791 3 3 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.781613204 0.011793837 . . . 200 LYS . . 200 LYS . 26791 3 4 . 1 1 11 11 TYR N N 15 . 1 1 11 11 TYR H H 1 0.722994848 0.01433578 . . . 201 TYR . . 201 TYR . 26791 3 5 . 1 1 12 12 PHE N N 15 . 1 1 12 12 PHE H H 1 0.809697603 0.01013418 . . . 202 PHE . . 202 PHE . 26791 3 6 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.795318199 0.010641545 . . . 203 LYS . . 203 LYS . 26791 3 7 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.790872117 0.012711941 . . . 204 GLY . . 204 GLY . 26791 3 8 . 1 1 15 15 ASN N N 15 . 1 1 15 15 ASN H H 1 0.807226613 0.008871402 . . . 205 ASN . . 205 ASN . 26791 3 9 . 1 1 16 16 PHE N N 15 . 1 1 16 16 PHE H H 1 0.783544816 0.014886924 . . . 206 PHE . . 206 PHE . 26791 3 10 . 1 1 17 17 TYR N N 15 . 1 1 17 17 TYR H H 1 0.817920345 0.014350106 . . . 207 TYR . . 207 TYR . 26791 3 11 . 1 1 19 19 PHE N N 15 . 1 1 19 19 PHE H H 1 0.805269995 0.012880108 . . . 209 PHE . . 209 PHE . 26791 3 12 . 1 1 20 20 SER N N 15 . 1 1 20 20 SER H H 1 0.814610784 0.0114202 . . . 210 SER . . 210 SER . 26791 3 13 . 1 1 22 22 ILE N N 15 . 1 1 22 22 ILE H H 1 0.771468197 0.011230452 . . . 212 ILE . . 212 ILE . 26791 3 14 . 1 1 24 24 LYS N N 15 . 1 1 24 24 LYS H H 1 0.804238854 0.010933825 . . . 214 LYS . . 214 LYS . 26791 3 15 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.83197229 0.013702649 . . . 215 THR . . 215 THR . 26791 3 16 . 1 1 27 27 TYR N N 15 . 1 1 27 27 TYR H H 1 0.714390722 0.026480225 . . . 217 TYR . . 217 TYR . 26791 3 17 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.81589431 0.013290205 . . . 218 SER . . 218 SER . 26791 3 18 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 0.8162302 0.011035103 . . . 219 ALA . . 219 ALA . 26791 3 19 . 1 1 30 30 GLU N N 15 . 1 1 30 30 GLU H H 1 0.820179502 0.01082234 . . . 220 GLU . . 220 GLU . 26791 3 20 . 1 1 31 31 GLN N N 15 . 1 1 31 31 GLN H H 1 0.817387624 0.012133628 . . . 221 GLN . . 221 GLN . 26791 3 21 . 1 1 33 33 CYS N N 15 . 1 1 33 33 CYS H H 1 0.844532177 0.01032275 . . . 223 CYS . . 223 CYS . 26791 3 22 . 1 1 34 34 VAL N N 15 . 1 1 34 34 VAL H H 1 0.838609423 0.010685693 . . . 224 VAL . . 224 VAL . 26791 3 23 . 1 1 35 35 SER N N 15 . 1 1 35 35 SER H H 1 0.799545881 0.011798435 . . . 225 SER . . 225 SER . 26791 3 24 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.814667308 0.009997681 . . . 227 ASN . . 227 ASN . 26791 3 25 . 1 1 38 38 SER N N 15 . 1 1 38 38 SER H H 1 0.827195824 0.009882363 . . . 228 SER . . 228 SER . 26791 3 26 . 1 1 39 39 HIS N N 15 . 1 1 39 39 HIS H H 1 0.775969519 0.010620916 . . . 229 HIS . . 229 HIS . 26791 3 27 . 1 1 40 40 LEU N N 15 . 1 1 40 40 LEU H H 1 0.810437381 0.012823628 . . . 230 LEU . . 230 LEU . 26791 3 28 . 1 1 42 42 SER N N 15 . 1 1 42 42 SER H H 1 0.78529822 0.013656907 . . . 232 SER . . 232 SER . 26791 3 29 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.797018851 0.013141915 . . . 234 THR . . 234 THR . 26791 3 30 . 1 1 45 45 SER N N 15 . 1 1 45 45 SER H H 1 0.801217857 0.008303799 . . . 235 SER . . 235 SER . 26791 3 31 . 1 1 46 46 GLU N N 15 . 1 1 46 46 GLU H H 1 0.815698904 0.015015708 . . . 236 GLU . . 236 GLU . 26791 3 32 . 1 1 47 47 SER N N 15 . 1 1 47 47 SER H H 1 0.800579311 0.00989906 . . . 237 SER . . 237 SER . 26791 3 33 . 1 1 48 48 GLU N N 15 . 1 1 48 48 GLU H H 1 0.834335407 0.010770067 . . . 238 GLU . . 238 GLU . 26791 3 34 . 1 1 50 50 GLU N N 15 . 1 1 50 50 GLU H H 1 0.811325869 0.009757811 . . . 240 GLU . . 240 GLU . 26791 3 35 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.81919563 0.009479798 . . . 241 PHE . . 241 PHE . 26791 3 36 . 1 1 53 53 TYR N N 15 . 1 1 53 53 TYR H H 1 0.838572955 0.008608999 . . . 243 TYR . . 243 TYR . 26791 3 37 . 1 1 54 54 LYS N N 15 . 1 1 54 54 LYS H H 1 0.811780688 0.009876212 . . . 244 LYS . . 244 LYS . 26791 3 38 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.815318252 0.010072386 . . . 245 THR . . 245 THR . 26791 3 39 . 1 1 57 57 GLY N N 15 . 1 1 57 57 GLY H H 1 0.772821558 0.010486053 . . . 247 GLY . . 247 GLY . 26791 3 40 . 1 1 58 58 GLY N N 15 . 1 1 58 58 GLY H H 1 0.731305894 0.010303934 . . . 248 GLY . . 248 GLY . 26791 3 41 . 1 1 60 60 ILE N N 15 . 1 1 60 60 ILE H H 1 0.779053573 0.010903608 . . . 250 ILE . . 250 ILE . 26791 3 42 . 1 1 61 61 TYR N N 15 . 1 1 61 61 TYR H H 1 0.838008113 0.013515547 . . . 251 TYR . . 251 TYR . 26791 3 43 . 1 1 62 62 TRP N N 15 . 1 1 62 62 TRP H H 1 0.835124935 0.012828374 . . . 252 TRP . . 252 TRP . 26791 3 44 . 1 1 63 63 ILE N N 15 . 1 1 63 63 ILE H H 1 0.818637454 0.014893169 . . . 253 ILE . . 253 ILE . 26791 3 45 . 1 1 64 64 GLY N N 15 . 1 1 64 64 GLY H H 1 0.81974252 0.014902322 . . . 254 GLY . . 254 GLY . 26791 3 46 . 1 1 65 65 LEU N N 15 . 1 1 65 65 LEU H H 1 0.819772454 0.012766929 . . . 255 LEU . . 255 LEU . 26791 3 47 . 1 1 66 66 THR N N 15 . 1 1 66 66 THR H H 1 0.813603795 0.01063964 . . . 256 THR . . 256 THR . 26791 3 48 . 1 1 67 67 LYS N N 15 . 1 1 67 67 LYS H H 1 0.77729177 0.015822856 . . . 257 LYS . . 257 LYS . 26791 3 49 . 1 1 68 68 ALA N N 15 . 1 1 68 68 ALA H H 1 0.5215952 0.011074371 . . . 258 ALA . . 258 ALA . 26791 3 50 . 1 1 69 69 GLY N N 15 . 1 1 69 69 GLY H H 1 0.22691585 0.007501574 . . . 259 GLY . . 259 GLY . 26791 3 51 . 1 1 70 70 MET N N 15 . 1 1 70 70 MET H H 1 0.411640456 0.007608018 . . . 260 MET . . 260 MET . 26791 3 52 . 1 1 71 71 GLU N N 15 . 1 1 71 71 GLU H H 1 0.366830245 0.007592963 . . . 261 GLU . . 261 GLU . 26791 3 53 . 1 1 72 72 GLY N N 15 . 1 1 72 72 GLY H H 1 0.434906041 0.007931877 . . . 262 GLY . . 262 GLY . 26791 3 54 . 1 1 74 74 TRP N N 15 . 1 1 74 74 TRP H H 1 0.649947705 0.011447768 . . . 264 TRP . . 264 TRP . 26791 3 55 . 1 1 76 76 TRP N N 15 . 1 1 76 76 TRP H H 1 0.805186962 0.011272367 . . . 266 TRP . . 266 TRP . 26791 3 56 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.826976413 0.012784095 . . . 267 VAL . . 267 VAL . 26791 3 57 . 1 1 78 78 ASP N N 15 . 1 1 78 78 ASP H H 1 0.776057254 0.008960088 . . . 268 ASP . . 268 ASP . 26791 3 58 . 1 1 80 80 THR N N 15 . 1 1 80 80 THR H H 1 0.884889567 0.010565468 . . . 270 THR . . 270 THR . 26791 3 59 . 1 1 82 82 PHE N N 15 . 1 1 82 82 PHE H H 1 0.797646377 0.00997409 . . . 272 PHE . . 272 PHE . 26791 3 60 . 1 1 83 83 ASN N N 15 . 1 1 83 83 ASN H H 1 0.725889256 0.009975753 . . . 273 ASN . . 273 ASN . 26791 3 61 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.734308459 0.017238476 . . . 274 LYS . . 274 LYS . 26791 3 62 . 1 1 85 85 VAL N N 15 . 1 1 85 85 VAL H H 1 0.675688377 0.008096377 . . . 275 VAL . . 275 VAL . 26791 3 63 . 1 1 86 86 GLN N N 15 . 1 1 86 86 GLN H H 1 0.730129429 0.008471474 . . . 276 GLN . . 276 GLN . 26791 3 64 . 1 1 87 87 SER N N 15 . 1 1 87 87 SER H H 1 0.671819069 0.008416518 . . . 277 SER . . 277 SER . 26791 3 65 . 1 1 88 88 ALA N N 15 . 1 1 88 88 ALA H H 1 0.75877731 0.007974858 . . . 278 ALA . . 278 ALA . 26791 3 66 . 1 1 89 89 ARG N N 15 . 1 1 89 89 ARG H H 1 0.670435608 0.008533905 . . . 279 ARG . . 279 ARG . 26791 3 67 . 1 1 90 90 PHE N N 15 . 1 1 90 90 PHE H H 1 0.778938809 0.010047433 . . . 280 PHE . . 280 PHE . 26791 3 68 . 1 1 91 91 TRP N N 15 . 1 1 91 91 TRP H H 1 0.787802803 0.008130765 . . . 281 TRP . . 281 TRP . 26791 3 69 . 1 1 94 94 GLY N N 15 . 1 1 94 94 GLY H H 1 0.791213294 0.010997666 . . . 284 GLY . . 284 GLY . 26791 3 70 . 1 1 95 95 GLU N N 15 . 1 1 95 95 GLU H H 1 0.822938757 0.010275934 . . . 285 GLU . . 285 GLU . 26791 3 71 . 1 1 107 107 ASN N N 15 . 1 1 107 107 ASN H H 1 0.824232672 0.01211984 . . . 297 ASN . . 297 ASN . 26791 3 72 . 1 1 109 109 LYS N N 15 . 1 1 109 109 LYS H H 1 0.816802185 0.01335285 . . . 299 LYS . . 299 LYS . 26791 3 73 . 1 1 110 110 ALA N N 15 . 1 1 110 110 ALA H H 1 0.680456029 0.00917427 . . . 300 ALA . . 300 ALA . 26791 3 74 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.755120452 0.008796983 . . . 303 LEU . . 303 LEU . 26791 3 75 . 1 1 114 114 GLN N N 15 . 1 1 114 114 GLN H H 1 0.797522529 0.010315077 . . . 304 GLN . . 304 GLN . 26791 3 76 . 1 1 115 115 ALA N N 15 . 1 1 115 115 ALA H H 1 0.739130429 0.011393887 . . . 305 ALA . . 305 ALA . 26791 3 77 . 1 1 116 116 TRP N N 15 . 1 1 116 116 TRP H H 1 0.829864155 0.012058669 . . . 306 TRP . . 306 TRP . 26791 3 78 . 1 1 123 123 LYS N N 15 . 1 1 123 123 LYS H H 1 0.822838911 0.011634057 . . . 313 LYS . . 313 LYS . 26791 3 79 . 1 1 124 124 THR N N 15 . 1 1 124 124 THR H H 1 0.792327877 0.009189811 . . . 314 THR . . 314 THR . 26791 3 80 . 1 1 125 125 PHE N N 15 . 1 1 125 125 PHE H H 1 -0.783484467 0.005816014 . . . 315 PHE . . 315 PHE . 26791 3 81 . 1 1 128 128 ILE N N 15 . 1 1 128 128 ILE H H 1 0.847554551 0.01306718 . . . 318 ILE . . 318 ILE . 26791 3 82 . 1 1 129 129 CYS N N 15 . 1 1 129 129 CYS H H 1 0.861229821 0.014219087 . . . 319 CYS . . 319 CYS . 26791 3 83 . 1 1 130 130 LYS N N 15 . 1 1 130 130 LYS H H 1 0.818422951 0.011396685 . . . 320 LYS . . 320 LYS . 26791 3 84 . 1 1 131 131 ARG N N 15 . 1 1 131 131 ARG H H 1 0.82093723 0.011607674 . . . 321 ARG . . 321 ARG . 26791 3 85 . 1 1 133 133 TYR N N 15 . 1 1 133 133 TYR H H 1 0.743315262 0.012640948 . . . 323 TYR . . 323 TYR . 26791 3 86 . 1 1 134 134 VAL N N 15 . 1 1 134 134 VAL H H 1 0.523136112 0.01333169 . . . 324 VAL . . 324 VAL . 26791 3 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_holo_LangCRD_hNOE_750 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode holo_LangCRD_hNOE_750 _Heteronucl_NOE_list.Entry_ID 26791 _Heteronucl_NOE_list.ID 4 _Heteronucl_NOE_list.Sample_condition_list_ID 2 _Heteronucl_NOE_list.Sample_condition_list_label $holo_conditions _Heteronucl_NOE_list.Spectrometer_frequency_1H 750 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 230000 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 14 '2D 1H-15N HSQC hNOE' . . . 26791 4 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $SPARKY . . 26791 4 4 $NMRPipe . . 26791 4 5 $relax . . 26791 4 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 8 8 GLY N N 15 . 1 1 8 8 GLY H H 1 0.608265917 0.014423414 . . . 198 GLY . . 198 GLY . 26791 4 2 . 1 1 9 9 TRP N N 15 . 1 1 9 9 TRP H H 1 0.735588311 0.012509374 . . . 199 TRP . . 199 TRP . 26791 4 3 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.79890254 0.017564724 . . . 200 LYS . . 200 LYS . 26791 4 4 . 1 1 11 11 TYR N N 15 . 1 1 11 11 TYR H H 1 0.774351137 0.014662729 . . . 201 TYR . . 201 TYR . 26791 4 5 . 1 1 12 12 PHE N N 15 . 1 1 12 12 PHE H H 1 0.839559865 0.014491357 . . . 202 PHE . . 202 PHE . 26791 4 6 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.850814285 0.016788865 . . . 203 LYS . . 203 LYS . 26791 4 7 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.822131944 0.018373623 . . . 204 GLY . . 204 GLY . 26791 4 8 . 1 1 16 16 PHE N N 15 . 1 1 16 16 PHE H H 1 0.844397504 0.016805503 . . . 206 PHE . . 206 PHE . 26791 4 9 . 1 1 17 17 TYR N N 15 . 1 1 17 17 TYR H H 1 0.84614207 0.020396344 . . . 207 TYR . . 207 TYR . 26791 4 10 . 1 1 18 18 TYR N N 15 . 1 1 18 18 TYR H H 1 0.845572906 0.019838337 . . . 208 TYR . . 208 TYR . 26791 4 11 . 1 1 20 20 SER N N 15 . 1 1 20 20 SER H H 1 0.857854088 0.015859946 . . . 210 SER . . 210 SER . 26791 4 12 . 1 1 22 22 ILE N N 15 . 1 1 22 22 ILE H H 1 0.779344055 0.016270355 . . . 212 ILE . . 212 ILE . 26791 4 13 . 1 1 24 24 LYS N N 15 . 1 1 24 24 LYS H H 1 0.796681317 0.014355047 . . . 214 LYS . . 214 LYS . 26791 4 14 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.836374844 0.015282936 . . . 215 THR . . 215 THR . 26791 4 15 . 1 1 27 27 TYR N N 15 . 1 1 27 27 TYR H H 1 0.845762472 0.025595556 . . . 217 TYR . . 217 TYR . 26791 4 16 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.820537722 0.016576102 . . . 218 SER . . 218 SER . 26791 4 17 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 0.83184411 0.014209303 . . . 219 ALA . . 219 ALA . 26791 4 18 . 1 1 31 31 GLN N N 15 . 1 1 31 31 GLN H H 1 0.855072762 0.012566154 . . . 221 GLN . . 221 GLN . 26791 4 19 . 1 1 32 32 PHE N N 15 . 1 1 32 32 PHE H H 1 0.89988708 0.014198359 . . . 222 PHE . . 222 PHE . 26791 4 20 . 1 1 33 33 CYS N N 15 . 1 1 33 33 CYS H H 1 0.84148155 0.013976003 . . . 223 CYS . . 223 CYS . 26791 4 21 . 1 1 34 34 VAL N N 15 . 1 1 34 34 VAL H H 1 0.857565069 0.014798212 . . . 224 VAL . . 224 VAL . 26791 4 22 . 1 1 35 35 SER N N 15 . 1 1 35 35 SER H H 1 0.881685751 0.014946501 . . . 225 SER . . 225 SER . 26791 4 23 . 1 1 36 36 ARG N N 15 . 1 1 36 36 ARG H H 1 0.837842518 0.014030981 . . . 226 ARG . . 226 ARG . 26791 4 24 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.848505128 0.013632372 . . . 227 ASN . . 227 ASN . 26791 4 25 . 1 1 38 38 SER N N 15 . 1 1 38 38 SER H H 1 0.839850828 0.011909108 . . . 228 SER . . 228 SER . 26791 4 26 . 1 1 39 39 HIS N N 15 . 1 1 39 39 HIS H H 1 0.811485526 0.013356427 . . . 229 HIS . . 229 HIS . 26791 4 27 . 1 1 40 40 LEU N N 15 . 1 1 40 40 LEU H H 1 0.850284253 0.019717708 . . . 230 LEU . . 230 LEU . 26791 4 28 . 1 1 42 42 SER N N 15 . 1 1 42 42 SER H H 1 0.863818537 0.026298605 . . . 232 SER . . 232 SER . 26791 4 29 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.814664701 0.019026495 . . . 234 THR . . 234 THR . 26791 4 30 . 1 1 45 45 SER N N 15 . 1 1 45 45 SER H H 1 0.827709718 0.011724731 . . . 235 SER . . 235 SER . 26791 4 31 . 1 1 46 46 GLU N N 15 . 1 1 46 46 GLU H H 1 0.86439567 0.031795215 . . . 236 GLU . . 236 GLU . 26791 4 32 . 1 1 48 48 GLU N N 15 . 1 1 48 48 GLU H H 1 0.871676557 0.015920565 . . . 238 GLU . . 238 GLU . 26791 4 33 . 1 1 50 50 GLU N N 15 . 1 1 50 50 GLU H H 1 0.809508552 0.013124716 . . . 240 GLU . . 240 GLU . 26791 4 34 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.860554708 0.014125995 . . . 241 PHE . . 241 PHE . 26791 4 35 . 1 1 53 53 TYR N N 15 . 1 1 53 53 TYR H H 1 0.861865796 0.012707854 . . . 243 TYR . . 243 TYR . 26791 4 36 . 1 1 54 54 LYS N N 15 . 1 1 54 54 LYS H H 1 0.831413943 0.015896614 . . . 244 LYS . . 244 LYS . 26791 4 37 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 0.849387758 0.017655033 . . . 246 ALA . . 246 ALA . 26791 4 38 . 1 1 57 57 GLY N N 15 . 1 1 57 57 GLY H H 1 0.822340826 0.0182888 . . . 247 GLY . . 247 GLY . 26791 4 39 . 1 1 58 58 GLY N N 15 . 1 1 58 58 GLY H H 1 0.816403131 0.017796519 . . . 248 GLY . . 248 GLY . 26791 4 40 . 1 1 59 59 LEU N N 15 . 1 1 59 59 LEU H H 1 0.842291084 0.014952531 . . . 249 LEU . . 249 LEU . 26791 4 41 . 1 1 60 60 ILE N N 15 . 1 1 60 60 ILE H H 1 0.846399281 0.01682534 . . . 250 ILE . . 250 ILE . 26791 4 42 . 1 1 61 61 TYR N N 15 . 1 1 61 61 TYR H H 1 0.832127587 0.018768772 . . . 251 TYR . . 251 TYR . 26791 4 43 . 1 1 62 62 TRP N N 15 . 1 1 62 62 TRP H H 1 0.838505492 0.024512174 . . . 252 TRP . . 252 TRP . 26791 4 44 . 1 1 63 63 ILE N N 15 . 1 1 63 63 ILE H H 1 0.872243628 0.025553222 . . . 253 ILE . . 253 ILE . 26791 4 45 . 1 1 64 64 GLY N N 15 . 1 1 64 64 GLY H H 1 0.899981542 0.027536367 . . . 254 GLY . . 254 GLY . 26791 4 46 . 1 1 65 65 LEU N N 15 . 1 1 65 65 LEU H H 1 0.875330206 0.01841971 . . . 255 LEU . . 255 LEU . 26791 4 47 . 1 1 66 66 THR N N 15 . 1 1 66 66 THR H H 1 0.818318673 0.018908868 . . . 256 THR . . 256 THR . 26791 4 48 . 1 1 67 67 LYS N N 15 . 1 1 67 67 LYS H H 1 0.820218678 0.022579916 . . . 257 LYS . . 257 LYS . 26791 4 49 . 1 1 69 69 GLY N N 15 . 1 1 69 69 GLY H H 1 0.249174625 0.010300798 . . . 259 GLY . . 259 GLY . 26791 4 50 . 1 1 70 70 MET N N 15 . 1 1 70 70 MET H H 1 0.550880477 0.012013919 . . . 260 MET . . 260 MET . 26791 4 51 . 1 1 71 71 GLU N N 15 . 1 1 71 71 GLU H H 1 0.516316553 0.009349289 . . . 261 GLU . . 261 GLU . 26791 4 52 . 1 1 72 72 GLY N N 15 . 1 1 72 72 GLY H H 1 0.4975697 0.010183392 . . . 262 GLY . . 262 GLY . 26791 4 53 . 1 1 74 74 TRP N N 15 . 1 1 74 74 TRP H H 1 0.713225107 0.048243467 . . . 264 TRP . . 264 TRP . 26791 4 54 . 1 1 75 75 SER N N 15 . 1 1 75 75 SER H H 1 0.821692113 0.020960304 . . . 265 SER . . 265 SER . 26791 4 55 . 1 1 76 76 TRP N N 15 . 1 1 76 76 TRP H H 1 0.807368814 0.022100676 . . . 266 TRP . . 266 TRP . 26791 4 56 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.867050137 0.020221983 . . . 267 VAL . . 267 VAL . 26791 4 57 . 1 1 78 78 ASP N N 15 . 1 1 78 78 ASP H H 1 0.560239312 0.008758168 . . . 268 ASP . . 268 ASP . 26791 4 58 . 1 1 80 80 THR N N 15 . 1 1 80 80 THR H H 1 0.855529177 0.014888281 . . . 270 THR . . 270 THR . 26791 4 59 . 1 1 82 82 PHE N N 15 . 1 1 82 82 PHE H H 1 0.836021399 0.015287187 . . . 272 PHE . . 272 PHE . 26791 4 60 . 1 1 83 83 ASN N N 15 . 1 1 83 83 ASN H H 1 0.771677561 0.020533248 . . . 273 ASN . . 273 ASN . 26791 4 61 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.731706773 0.024727158 . . . 274 LYS . . 274 LYS . 26791 4 62 . 1 1 85 85 VAL N N 15 . 1 1 85 85 VAL H H 1 0.719509505 0.012248168 . . . 275 VAL . . 275 VAL . 26791 4 63 . 1 1 86 86 GLN N N 15 . 1 1 86 86 GLN H H 1 0.761556106 0.015018779 . . . 276 GLN . . 276 GLN . 26791 4 64 . 1 1 87 87 SER N N 15 . 1 1 87 87 SER H H 1 0.756879799 0.015588878 . . . 277 SER . . 277 SER . 26791 4 65 . 1 1 88 88 ALA N N 15 . 1 1 88 88 ALA H H 1 0.807657704 0.015715219 . . . 278 ALA . . 278 ALA . 26791 4 66 . 1 1 89 89 ARG N N 15 . 1 1 89 89 ARG H H 1 0.700520662 0.017158663 . . . 279 ARG . . 279 ARG . 26791 4 67 . 1 1 90 90 PHE N N 15 . 1 1 90 90 PHE H H 1 0.772984409 0.018268035 . . . 280 PHE . . 280 PHE . 26791 4 68 . 1 1 91 91 TRP N N 15 . 1 1 91 91 TRP H H 1 0.811166384 0.017085251 . . . 281 TRP . . 281 TRP . 26791 4 69 . 1 1 92 92 ILE N N 15 . 1 1 92 92 ILE H H 1 0.838092772 0.031663721 . . . 282 ILE . . 282 ILE . 26791 4 70 . 1 1 94 94 GLY N N 15 . 1 1 94 94 GLY H H 1 0.806205567 0.02223052 . . . 284 GLY . . 284 GLY . 26791 4 71 . 1 1 95 95 GLU N N 15 . 1 1 95 95 GLU H H 1 0.758546944 0.017044465 . . . 285 GLU . . 285 GLU . 26791 4 72 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.572564534 0.012354084 . . . 290 GLY . . 290 GLY . 26791 4 73 . 1 1 101 101 ASN N N 15 . 1 1 101 101 ASN H H 1 0.606254688 0.01361772 . . . 291 ASN . . 291 ASN . 26791 4 74 . 1 1 102 102 ASN N N 15 . 1 1 102 102 ASN H H 1 0.47262194 0.032103541 . . . 292 ASN . . 292 ASN . 26791 4 75 . 1 1 107 107 ASN N N 15 . 1 1 107 107 ASN H H 1 0.899242375 0.025012529 . . . 297 ASN . . 297 ASN . 26791 4 76 . 1 1 109 109 LYS N N 15 . 1 1 109 109 LYS H H 1 0.820619626 0.026208847 . . . 299 LYS . . 299 LYS . 26791 4 77 . 1 1 110 110 ALA N N 15 . 1 1 110 110 ALA H H 1 0.707828628 0.016747016 . . . 300 ALA . . 300 ALA . 26791 4 78 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.819410305 0.015336636 . . . 303 LEU . . 303 LEU . 26791 4 79 . 1 1 114 114 GLN N N 15 . 1 1 114 114 GLN H H 1 0.815180743 0.018238607 . . . 304 GLN . . 304 GLN . 26791 4 80 . 1 1 115 115 ALA N N 15 . 1 1 115 115 ALA H H 1 0.782226847 0.022634678 . . . 305 ALA . . 305 ALA . 26791 4 81 . 1 1 116 116 TRP N N 15 . 1 1 116 116 TRP H H 1 0.818854132 0.019966354 . . . 306 TRP . . 306 TRP . 26791 4 82 . 1 1 124 124 THR N N 15 . 1 1 124 124 THR H H 1 0.81781586 0.012820131 . . . 314 THR . . 314 THR . 26791 4 83 . 1 1 125 125 PHE N N 15 . 1 1 125 125 PHE H H 1 0.809406143 0.016940189 . . . 315 PHE . . 315 PHE . 26791 4 84 . 1 1 126 126 LEU N N 15 . 1 1 126 126 LEU H H 1 0.844386355 0.017925566 . . . 316 LEU . . 316 LEU . 26791 4 85 . 1 1 128 128 ILE N N 15 . 1 1 128 128 ILE H H 1 0.884902522 0.020393193 . . . 318 ILE . . 318 ILE . 26791 4 86 . 1 1 129 129 CYS N N 15 . 1 1 129 129 CYS H H 1 0.857851295 0.018121182 . . . 319 CYS . . 319 CYS . 26791 4 87 . 1 1 130 130 LYS N N 15 . 1 1 130 130 LYS H H 1 0.841824776 0.016493692 . . . 320 LYS . . 320 LYS . 26791 4 88 . 1 1 131 131 ARG N N 15 . 1 1 131 131 ARG H H 1 0.86895519 0.017150215 . . . 321 ARG . . 321 ARG . 26791 4 89 . 1 1 133 133 TYR N N 15 . 1 1 133 133 TYR H H 1 0.765249625 0.017819564 . . . 323 TYR . . 323 TYR . 26791 4 90 . 1 1 134 134 VAL N N 15 . 1 1 134 134 VAL H H 1 0.606412308 0.01350311 . . . 324 VAL . . 324 VAL . 26791 4 stop_ save_