============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 84 rings ring int. center anis. iso. HIS 11 0.900 42.073 11.558 12.228 -99.200 -91.000 TRP 12 1.040 38.025 8.528 20.787 -99.200 -91.000 TRP6 12 1.020 36.958 6.444 21.124 -99.200 -91.000 PHE 54 1.000 14.154 6.255 30.350 -99.200 -91.000 HIS 60 0.900 25.229 13.671 33.194 -99.200 -91.000 PHE 61 1.000 19.096 14.654 26.414 -99.200 -91.000 HIS 72 0.900 33.162 38.940 25.001 -99.200 -91.000 PHE 79 1.000 43.265 24.389 26.415 -99.200 -91.000 TYR 81 0.840 55.009 27.732 23.589 -99.200 -91.000 PHE 82 1.000 54.420 35.485 27.702 -99.200 -91.000 HIS 86 0.900 62.512 41.275 22.972 -99.200 -91.000 TYR 91 0.840 59.812 49.287 31.823 -99.200 -91.000 PHE 97 1.000 55.606 39.646 32.184 -99.200 -91.000 HIS 99 0.900 64.099 32.048 32.631 -99.200 -91.000 PHE 110 1.000 41.324 33.195 19.717 -99.200 -91.000 PHE 129 1.000 43.972 36.942 21.308 -99.200 -91.000 PHE 133 1.000 49.515 35.000 30.104 -99.200 -91.000 TYR 134 0.840 46.451 27.172 33.088 -99.200 -91.000 TRP 140 1.040 48.025 38.168 34.202 -99.200 -91.000 TRP6 140 1.020 49.713 38.523 32.590 -99.200 -91.000 PHE 150 1.000 33.287 47.500 25.915 -99.200 -91.000 PHE 151 1.000 31.164 49.322 21.472 -99.200 -91.000 PHE 158 1.000 29.677 45.114 30.022 -99.200 -91.000 PHE 161 1.000 27.703 48.425 24.433 -99.200 -91.000 HIS 163 0.900 19.842 44.711 30.082 -99.200 -91.000 HIS 172 0.900 14.298 36.410 22.722 -99.200 -91.000 TRP 180 1.040 22.515 52.624 15.339 -99.200 -91.000 TRP6 180 1.020 24.644 53.641 15.230 -99.200 -91.000 PHE 182 1.000 24.350 52.734 25.986 -99.200 -91.000 TRP 183 1.040 26.594 52.389 20.468 -99.200 -91.000 TRP6 183 1.020 26.780 51.003 18.568 -99.200 -91.000 HIS 191 0.900 38.973 56.100 19.889 -99.200 -91.000 PHE 195 1.000 39.092 48.459 15.993 -99.200 -91.000 PHE 197 1.000 28.582 50.014 12.751 -99.200 -91.000 HIS 206 0.900 37.826 33.250 16.644 -99.200 -91.000 HIS 208 0.900 44.643 35.649 9.044 -99.200 -91.000 TYR 212 0.840 44.672 45.941 20.254 -99.200 -91.000 HIS 215 0.900 39.816 47.558 31.371 -99.200 -91.000 PHE 217 1.000 45.208 45.341 33.074 -99.200 -91.000 TYR 228 0.840 49.372 54.474 36.507 -99.200 -91.000 PHE 231 1.000 49.656 43.815 30.299 -99.200 -91.000 HIS 232 0.900 48.996 47.663 22.552 -99.200 -91.000 TYR 233 0.840 46.659 39.776 23.709 -99.200 -91.000 TYR 257 0.840 35.691 31.246 8.080 -99.200 -91.000 PHE 263 1.000 39.918 20.276 16.017 -99.200 -91.000 TYR 271 0.840 51.337 23.713 16.222 -99.200 -91.000 TRP 274 1.040 47.702 36.829 18.184 -99.200 -91.000 TRP6 274 1.020 47.057 34.566 18.074 -99.200 -91.000 PHE 276 1.000 51.699 39.988 26.439 -99.200 -91.000 TYR 277 0.840 55.188 44.125 19.920 -99.200 -91.000 PHE 283 1.000 52.674 55.495 39.206 -99.200 -91.000 PHE 289 1.000 47.065 60.182 27.525 -99.200 -91.000 PHE 291 1.000 42.514 63.302 24.866 -99.200 -91.000 PHE 294 1.000 44.697 56.223 35.639 -99.200 -91.000 TRP 300 1.040