============================================================================= 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 20 1.040 84.096 -7.752 46.432 -99.200 -91.000 TRP6 20 1.020 84.240 -5.624 47.475 -99.200 -91.000 PHE 29 1.000 82.582 3.315 40.174 -99.200 -91.000 TRP 40 1.040 85.732 3.200 47.099 -99.200 -91.000 TRP6 40 1.020 84.472 1.640 48.339 -99.200 -91.000 PHE 43 1.000 89.540 -3.865 54.137 -99.200 -91.000 TYR 67 0.840 90.824 -4.752 36.352 -99.200 -91.000 PHE 75 1.000 82.810 -8.841 23.563 -99.200 -91.000 TRP 80 1.040 93.745 0.618 37.090 -99.200 -91.000 TRP6 80 1.020 91.534 1.093 36.478 -99.200 -91.000 PHE 100 1.000 80.052 -5.049 22.997 -99.200 -91.000 TYR 111 0.840 83.149 -8.714 28.927 -99.200 -91.000 PHE 112 1.000 76.877 -15.375 27.249 -99.200 -91.000 HIS 128 0.900 62.321 -3.923 18.590 -99.200 -91.000 TYR 133 0.840 77.276 -9.239 18.822 -99.200 -91.000 PHE 136 1.000 81.936 -19.216 23.027 -99.200 -91.000 HIS 139 0.900 91.330 -13.636 22.839 -99.200 -91.000 HIS 140 0.900 83.285 -17.992 17.548 -99.200 -91.000 TYR 144 0.840 75.158 -16.617 22.779 -99.200 -91.000 PHE 145 1.000 69.052 -12.928 22.498 -99.200 -91.000 TRP 156 1.040 75.216 -17.334 32.658 -99.200 -91.000 TRP6 156 1.020 76.274 -15.218 32.595 -99.200 -91.000 HIS 160 0.900 78.063 -22.853 37.127 -99.200 -91.000 PHE 163 1.000 72.095 -15.129 29.484 -99.200 -91.000 TYR 164 0.840 67.700 -16.810 36.033 -99.200 -91.000 TYR 165 0.840 69.314 -10.425 27.328 -99.200 -91.000 TYR 171 0.840 58.986 -1.232 30.296 -99.200 -91.000 PHE 176 1.000 67.476 -16.506 26.384 -99.200 -91.000 TYR 178 0.840 75.273 -21.108 30.377 -99.200 -91.000 TYR 192 0.840 58.657 -9.322 38.616 -99.200 -91.000 TRP 213 1.040 68.969 -9.486 45.431 -99.200 -91.000 TRP6 213 1.020 67.885 -8.179 47.071 -99.200 -91.000 TYR 217 0.840 67.201 5.281 34.033 -99.200 -91.000 PHE 248 1.000 73.819 -9.501 46.913 -99.200 -91.000 TYR 253 0.840 81.536 -12.224 46.979 -99.200 -91.000 TYR 257 0.840 79.884 -2.254 47.657 -99.200 -91.000 PHE 280 1.000 73.392 6.176 46.919 -99.200 -91.000 TYR 293 0.840 80.668 -17.525 37.501 -99.200 -91.000 TYR 295 0.840 87.901 -13.267 27.954 -99.200 -91.000