============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 92 rings ring int. center anis. iso. HIS 23 0.900 -3.212 93.551 46.784 -99.200 -91.000 PHE 27 1.000 -8.457 81.285 41.605 -99.200 -91.000 PHE 32 1.000 -9.174 66.532 46.881 -99.200 -91.000 PHE 42 1.000 -14.004 53.934 58.901 -99.200 -91.000 TRP 51 1.040 -18.927 73.876 40.644 -99.200 -91.000 TRP6 51 1.020 -16.939 72.713 41.175 -99.200 -91.000 TRP 55 1.040 -16.571 75.958 45.481 -99.200 -91.000 TRP6 55 1.020 -17.937 74.151 46.156 -99.200 -91.000 TYR 60 0.840 -6.675 79.034 54.183 -99.200 -91.000 TYR 67 0.840 -4.370 64.068 70.161 -99.200 -91.000 PHE 72 1.000 3.473 71.566 76.005 -99.200 -91.000 PHE 75 1.000 4.774 76.850 73.427 -99.200 -91.000 TRP 81 1.040 3.397 72.619 64.586 -99.200 -91.000 TRP6 81 1.020 4.239 72.818 62.387 -99.200 -91.000 TYR 93 0.840 -14.023 71.124 50.511 -99.200 -91.000 TRP 97 1.040 -2.146 81.220 48.351 -99.200 -91.000 TRP6 97 1.020 -2.360 79.181 49.532 -99.200 -91.000 TRP 111 1.040 2.310 71.739 52.432 -99.200 -91.000 TRP6 111 1.020 4.562 71.253 52.976 -99.200 -91.000 TYR 113 0.840 -2.736 67.798 55.615 -99.200 -91.000 PHE 117 1.000 1.167 58.869 56.662 -99.200 -91.000 TYR 118 0.840 -0.749 62.422 65.133 -99.200 -91.000 TYR 127 0.840 1.484 73.279 56.669 -99.200 -91.000 TYR 131 0.840 3.947 85.357 53.119 -99.200 -91.000 TYR 134 0.840 5.104 89.263 45.242 -99.200 -91.000 TYR 145 0.840 -2.863 63.605 54.047 -99.200 -91.000 PHE 150 1.000 -12.520 60.218 61.468 -99.200 -91.000 PHE 152 1.000 -3.698 57.169 55.896 -99.200 -91.000 HIS 156 0.900 -5.372 43.205 51.566 -99.200 -91.000 TRP 176 1.040 -10.045 69.283 40.379 -99.200 -91.000 TRP6 176 1.020 -9.278 71.520 40.397 -99.200 -91.000 HIS 178 0.900 -2.624 64.851 34.136 -99.200 -91.000 PHE 183 1.000 -8.919 74.217 31.990 -99.200 -91.000 PHE 184 1.000 -7.514 77.087 38.768 -99.200 -91.000 PHE 194 1.000 6.228 72.095 48.494 -99.200 -91.000 HIS 206 0.900 0.871 60.049 46.338 -99.200 -91.000 PHE 216 1.000 5.080 62.258 41.456 -99.200 -91.000 TRP 230 1.040 7.838 57.699 61.251 -99.200 -91.000 TRP6 230 1.020 6.618 58.987 59.683 -99.200 -91.000 HIS 261 0.900 -24.344 49.353 60.432 -99.200 -91.000 TRP 276 1.040 -3.611 59.200 70.156 -99.200 -91.000 TRP6 276 1.020 -1.593 59.338 68.934 -99.200 -91.000 PHE 281 1.000 5.291 46.367 69.978 -99.200 -91.000 PHE 285 1.000 8.987 60.274 64.720 -99.200 -91.000 PHE 287 1.000 3.260 59.195 64.306 -99.200 -91.000 PHE 289 1.000 -6.606 53.478 63.398 -99.200 -91.000 PHE 297 1.000 -0.650 54.427 47.249 -99.200 -91.000 PHE 298 1.000 2.483 51.844 49.725 -99.200 -91.000 PHE 311 1.000 13.062 53.643 42.562 -99.200 -91.000 PHE 327 1.000 6.383 68.165 68.172 -99.200 -91.000 PHE 328 1.000 7.093 62.964 66.910 -99.200 -91.000 TYR 331 0.840 3.799 67.196 72.359 -99.200 -91.000 PHE 336 1.000 13.714 63.788 77.004 -99.200 -91.000 PHE 349 1.000 20.614 57.005 76.891 -99.200 -91.000 HIS 359 0.900 1