============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TRP 14 1.040 64.182 -26.295 0.299 -99.200 -91.000 TRP6 14 1.020 65.249 -26.558 -1.779 -99.200 -91.000 PHE 19 1.000 60.152 -34.725 15.280 -99.200 -91.000 TRP 37 1.040 74.499 -20.667 10.389 -99.200 -91.000 TRP6 37 1.020 73.867 -19.674 12.442 -99.200 -91.000 HIS 43 0.900 54.258 -18.808 15.814 -99.200 -91.000 TYR 47 0.840 52.169 -16.303 20.492 -99.200 -91.000 TRP 49 1.040 49.803 -20.189 21.575 -99.200 -91.000 TRP6 49 1.020 50.359 -21.248 19.545 -99.200 -91.000 PHE 53 1.000 59.394 -25.850 23.172 -99.200 -91.000 HIS 65 0.900 58.204 -38.262 0.527 -99.200 -91.000 TYR 70 0.840 65.808 -44.012 11.217 -99.200 -91.000 TYR 84 0.840 72.407 -17.391 17.496 -99.200 -91.000 HIS 86 0.900 64.454 -9.170 14.159 -99.200 -91.000 TYR 89 0.840 58.407 -13.089 18.051 -99.200 -91.000 TRP 91 1.040 56.355 -11.563 22.295 -99.200 -91.000 TRP6 91 1.020 54.595 -11.533 23.858 -99.200 -91.000 PHE 110 1.000 74.814 -29.215 2.316 -99.200 -91.000 TYR 113 0.840 67.484 -39.154 -0.410 -99.200 -91.000 HIS 115 0.900 71.923 -28.523 -2.527 -99.200 -91.000 TYR 132 0.840 55.952 -12.182 -10.826 -99.200 -91.000 TRP 139 1.040 56.415 -33.898 6.753 -99.200 -91.000 TRP6 139 1.020 58.432 -32.658 6.807 -99.200 -91.000 PHE 176 1.000 55.686 -13.455 1.336 -99.200 -91.000 TYR 180 0.840 45.620 -20.546 -6.027 -99.200 -91.000 PHE 199 1.000 55.602 -18.070 -0.909 -99.200 -91.000 PHE 205 1.000 66.312 -13.512 -15.363 -99.200 -91.000 TRP 209 1.040 64.037 -24.746 -6.548 -99.200 -91.000 TRP6 209 1.020 61.694 -24.474 -6.763 -99.200 -91.000 TYR 210 0.840 67.471 -17.329 -5.436 -99.200 -91.000 TRP 217 1.040 50.421 -13.563 10.785 -99.200 -91.000 TRP6 217 1.020 48.297 -12.630 10.318 -99.200 -91.000 TYR 227 0.840 43.720 -13.906 0.258 -99.200 -91.000 PHE 229 1.000 48.233 -12.151 6.436 -99.200 -91.000 TYR 230 0.840 53.065 -18.001 3.520 -99.200 -91.000 HIS 232 0.900 59.852 -9.454 2.040 -99.200 -91.000 PHE 234 1.000 65.885 -8.198 0.340 -99.200 -91.000 TRP 239 1.040 68.526 -10.707 13.508 -99.200 -91.000 TRP6 239 1.020 67.700 -12.896 13.248 -99.200 -91.000