============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TRP 8 1.040 3.107 -7.166 49.907 -99.200 -91.000 TRP6 8 1.020 5.197 -6.086 50.032 -99.200 -91.000 PHE 12 1.000 -0.058 0.175 49.153 -99.200 -91.000 PHE 21 1.000 5.203 -2.619 54.168 -99.200 -91.000 TYR 43 0.840 6.527 10.993 48.850 -99.200 -91.000 PHE 49 1.000 15.357 15.742 61.187 -99.200 -91.000 HIS 67 0.900 17.688 7.811 83.432 -99.200 -91.000 PHE 70 1.000 13.506 16.561 75.970 -99.200 -91.000 TRP 72 1.040 3.455 23.337 78.604 -99.200 -91.000 TRP6 72 1.020 1.453 23.465 79.855 -99.200 -91.000 TRP 82 1.040 2.239 17.528 71.196 -99.200 -91.000 TRP6 82 1.020 2.317 18.899 69.271 -99.200 -91.000 PHE 100 1.000 12.145 15.020 69.545 -99.200 -91.000 TYR 115 0.840 26.060 14.944 64.736 -99.200 -91.000 PHE 119 1.000 22.826 10.630 62.150 -99.200 -91.000 TYR 121 0.840 16.562 11.661 57.835 -99.200 -91.000 PHE 133 1.000 15.518 20.594 59.704 -99.200 -91.000 PHE 149 1.000 18.204 7.407 60.495 -99.200 -91.000 TYR 154 0.840 18.401 -4.932 64.303 -99.200 -91.000 TYR 180 0.840 4.307 -9.330 67.198 -99.200 -91.000 HIS 183 0.900 12.765 -1.326 68.784 -99.200 -91.000 PHE 188 1.000 -1.526 14.372 58.812 -99.200 -91.000 TRP 201 1.040 7.023 9.919 56.017 -99.200 -91.000 TRP6 201 1.020 8.417 8.614 54.609 -99.200 -91.000 TRP 202 1.040 3.946 2.533 61.786 -99.200 -91.000 TRP6 202 1.020 3.269 0.266 61.550 -99.200 -91.000 TRP 205 1.040 14.105 -2.513 64.481 -99.200 -91.000 TRP6 205 1.020 14.662 -0.261 64.975 -99.200 -91.000 TYR 213 0.840 10.845 -10.464 58.629 -99.200 -91.000 PHE 214 1.000 16.397 -3.869 59.309 -99.200 -91.000 PHE 215 1.000 7.489 -1.025 59.923 -99.200 -91.000 PHE 217 1.000 1.596 2.946 54.054 -99.200 -91.000