============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 8 1.040 -21.960 11.724 41.434 -99.200 -91.000 TRP6 8 1.020 -20.745 13.735 41.112 -99.200 -91.000 PHE 12 1.000 -23.328 13.703 49.189 -99.200 -91.000 PHE 21 1.000 -16.775 14.901 45.164 -99.200 -91.000 TYR 43 0.840 -22.546 25.008 53.854 -99.200 -91.000 PHE 49 1.000 -8.382 31.986 55.850 -99.200 -91.000 HIS 66 0.900 13.640 24.259 53.507 -99.200 -91.000 PHE 69 1.000 5.359 28.094 61.032 -99.200 -91.000 TRP 71 1.040 4.268 23.414 72.423 -99.200 -91.000 TRP6 71 1.020 4.785 21.754 74.028 -99.200 -91.000 TRP 81 1.040 -2.512 20.424 66.649 -99.200 -91.000 TRP6 81 1.020 -4.518 21.532 67.232 -99.200 -91.000 PHE 99 1.000 -1.318 27.537 59.171 -99.200 -91.000 TYR 114 0.840 -1.662 39.331 50.222 -99.200 -91.000 PHE 118 1.000 -4.892 34.887 47.865 -99.200 -91.000 TYR 120 0.840 -10.968 31.375 51.093 -99.200 -91.000 PHE 132 1.000 -10.038 35.394 59.208 -99.200 -91.000 TRP 133 1.040 -9.225 29.811 60.439 -99.200 -91.000 TRP6 133 1.020 -7.919 31.569 61.367 -99.200 -91.000 PHE 148 1.000 -7.598 29.665 47.384 -99.200 -91.000 TYR 153 0.840 -2.933 21.807 38.233 -99.200 -91.000 TYR 179 0.840 -4.670 8.913 42.412 -99.200 -91.000 HIS 182 0.900 -0.548 18.958 45.153 -99.200 -91.000 PHE 187 1.000 -15.151 18.313 63.436 -99.200 -91.000 TRP 200 1.040 -15.409 23.135 54.449 -99.200 -91.000 TRP6 200 1.020 -16.176 23.808 52.298 -99.200 -91.000 TRP 201 1.040 -10.241 15.357 51.505 -99.200 -91.000 TRP6 201 1.020 -10.465 13.509 50.055 -99.200 -91.000 TRP 204 1.040 -4.318 19.743 42.551 -99.200 -91.000 TRP6 204 1.020 -3.934 21.600 43.962 -99.200 -91.000 TYR 212 0.840 -10.219 13.589 36.847 -99.200 -91.000 PHE 213 1.000 -8.322 21.788 39.175 -99.200 -91.000 PHE 214 1.000 -10.727 16.338 46.231 -99.200 -91.000 PHE 216 1.000 -18.333 15.366 51.382 -99.200 -91.000