============================================================================= 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. PHE 5 1.000 36.585 38.548 90.999 -99.200 -91.000 PHE 11 1.000 36.834 24.999 100.562 -99.200 -91.000 TYR 49 0.840 48.281 27.087 76.401 -99.200 -91.000 TYR 60 0.840 43.625 41.248 89.685 -99.200 -91.000 TYR 68 0.840 54.767 32.377 89.385 -99.200 -91.000 TRP 75 1.040 43.886 38.929 77.135 -99.200 -91.000 TRP6 75 1.020 43.168 39.277 79.361 -99.200 -91.000 PHE 88 1.000 43.351 21.377 76.985 -99.200 -91.000 TYR 97 0.840 25.649 31.063 87.871 -99.200 -91.000 PHE 105 1.000 27.670 17.695 78.405 -99.200 -91.000 PHE 112 1.000 38.778 16.894 80.507 -99.200 -91.000 TYR 119 0.840 31.185 21.532 86.896 -99.200 -91.000 TYR 121 0.840 26.194 20.092 97.193 -99.200 -91.000 PHE 123 1.000 25.918 21.658 85.566 -99.200 -91.000 TYR 136 0.840 20.307 8.319 86.397 -99.200 -91.000 PHE 160 1.000 33.310 30.394 95.384 -99.200 -91.000 TYR 161 0.840 33.843 40.798 98.611 -99.200 -91.000 TYR 167 0.840 27.335 25.352 101.579 -99.200 -91.000 TYR 180 0.840 29.313 2.696 80.350 -99.200 -91.000 HIS 181 0.900 30.830 -0.619 70.589 -99.200 -91.000 PHE 187 1.000 19.697 5.456 68.070 -99.200 -91.000 PHE 188 1.000 24.619 7.585 75.197 -99.200 -91.000 PHE 191 1.000 17.628 5.226 73.854 -99.200 -91.000 PHE 196 1.000 17.532 10.470 81.629 -99.200 -91.000 HIS 198 0.900 8.008 12.625 77.089 -99.200 -91.000 TYR 216 0.840 12.752 6.293 63.292 -99.200 -91.000 PHE 228 1.000 14.618 -3.000 70.389 -99.200 -91.000 PHE 244 1.000 12.875 7.779 88.632 -99.200 -91.000 PHE 258 1.000 14.864 2.041 69.115 -99.200 -91.000 TYR 259 0.840 23.155 3.046 65.080 -99.200 -91.000 PHE 261 1.000 14.095 -3.745 65.309 -99.200 -91.000