============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TYR 12 0.840 -13.382 28.280 11.781 -99.200 -91.000 TYR 14 0.840 -11.945 32.516 22.899 -99.200 -91.000 PHE 18 1.000 -20.725 30.786 28.650 -99.200 -91.000 PHE 32 1.000 1.432 53.932 43.077 -99.200 -91.000 PHE 52 1.000 -17.955 51.106 37.245 -99.200 -91.000 PHE 55 1.000 -12.946 46.753 29.680 -99.200 -91.000 PHE 60 1.000 -16.014 42.201 30.503 -99.200 -91.000 TYR 65 0.840 -11.861 45.305 43.761 -99.200 -91.000 HIS 85 0.900 -15.146 33.569 37.250 -99.200 -91.000 PHE 91 1.000 -11.063 37.921 35.836 -99.200 -91.000 HIS 98 0.900 3.877 55.122 39.449 -99.200 -91.000 TYR 105 0.840 6.587 50.490 41.757 -99.200 -91.000 HIS 119 0.900 -4.027 34.819 42.029 -99.200 -91.000 PHE 120 1.000 -7.737 34.445 37.092 -99.200 -91.000 PHE 135 1.000 -5.042 38.759 33.572 -99.200 -91.000 PHE 136 1.000 -8.599 44.680 28.101 -99.200 -91.000 TYR 165 0.840 11.630 39.551 37.485 -99.200 -91.000 PHE 173 1.000 -4.335 33.509 31.114 -99.200 -91.000 PHE 175 1.000 -1.238 38.536 29.773 -99.200 -91.000 TYR 177 0.840 3.047 46.134 30.192 -99.200 -91.000 TYR 183 0.840 5.120 61.508 33.631 -99.200 -91.000 TYR 184 0.840 1.696 65.262 27.711 -99.200 -91.000 TRP 186 1.040 3.073 74.753 36.765 -99.200 -91.000 TRP6 186 1.020 1.425 76.096 37.802 -99.200 -91.000 TRP 194 1.040 -2.058 60.543 24.090 -99.200 -91.000 TRP6 194 1.020 0.242 60.865 23.647 -99.200 -91.000 PHE 195 1.000 -3.880 50.484 26.312 -99.200 -91.000 HIS 206 0.900 -16.250 50.485 15.249 -99.200 -91.000 HIS 226 0.900 -2.547 60.273 20.789 -99.200 -91.000 PHE 227 1.000 4.377 58.283 21.389 -99.200 -91.000 HIS 234 0.900 12.420 73.651 25.026 -99.200 -91.000 PHE 235 1.000 9.117 71.463 27.465 -99.200 -91.000 HIS 236 0.900 12.199 65.956 21.307 -99.200 -91.000 TYR 253 0.840 -16.682 39.472 16.406 -99.200 -91.000 PHE 254 1.000 -15.343 42.281 24.592 -99.200 -91.000 HIS 259 0.900 -26.641 45.866 14.945 -99.200 -91.000