============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. HIS 16 0.900 18.246 -2.473 6.585 -99.200 -91.000 PHE 24 1.000 25.715 -8.499 -5.279 -99.200 -91.000 PHE 28 1.000 27.646 -2.001 -2.663 -99.200 -91.000 PHE 38 1.000 27.351 0.207 -9.165 -99.200 -91.000 TYR 46 0.840 15.246 -0.111 -17.308 -99.200 -91.000 HIS 47 0.900 15.001 -5.336 -16.273 -99.200 -91.000 TYR 49 0.840 13.501 2.630 -7.891 -99.200 -91.000 PHE 65 1.000 1.587 5.218 -4.144 -99.200 -91.000 TYR 69 0.840 1.904 10.830 -8.178 -99.200 -91.000 PHE 70 1.000 5.355 13.505 -1.379 -99.200 -91.000 HIS 75 0.900 11.554 11.594 -11.969 -99.200 -91.000 PHE 86 1.000 29.862 5.138 -17.011 -99.200 -91.000 TRP 87 1.040 27.138 1.771 -14.546 -99.200 -91.000 TRP6 87 1.020 29.347 1.402 -13.790 -99.200 -91.000 TYR 88 0.840 24.587 -3.737 -18.543 -99.200 -91.000 TRP 92 1.040 20.368 1.794 -22.331 -99.200 -91.000 TRP6 92 1.020 18.413 1.405 -21.055 -99.200 -91.000 TYR 98 0.840 12.739 -8.877 -16.677 -99.200 -91.000 TYR 105 0.840 11.710 -6.170 -5.905 -99.200 -91.000 HIS 110 0.900 4.171 -4.638 -13.759 -99.200 -91.000 HIS 123 0.900 6.348 -4.329 -3.117 -99.200 -91.000 TYR 125 0.840 9.264 1.574 4.919 -99.200 -91.000 TYR 128 0.840 10.140 5.685 -5.031 -99.200 -91.000 PHE 157 1.000 19.059 3.924 -7.595 -99.200 -91.000 PHE 158 1.000 23.937 4.455 -5.959 -99.200 -91.000 PHE 160 1.000 16.296 9.416 -4.431 -99.200 -91.000 PHE 169 1.000 10.392 13.118 -0.103 -99.200 -91.000 TYR 173 0.840 7.236 8.216 1.063 -99.200 -91.000 PHE 198 1.000 13.504 -4.513 4.028 -99.200 -91.000 PHE 205 1.000 20.491 -7.572 -2.210 -99.200 -91.000 HIS 214 0.900 28.189 -20.145 -12.491 -99.200 -91.000