============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. TRP 7 1.040 0.520 -14.551 3.196 -99.200 -91.000 TRP6 7 1.020 0.565 -12.486 2.038 -99.200 -91.000 PHE 8 1.000 -0.738 -12.575 -3.105 -99.200 -91.000 PHE 11 1.000 -5.196 -17.975 -9.008 -99.200 -91.000 TRP 22 1.040 11.097 -10.896 -7.510 -99.200 -91.000 TRP6 22 1.020 10.829 -9.106 -9.035 -99.200 -91.000 TRP 28 1.040 -2.559 -5.340 -6.596 -99.200 -91.000 TRP6 28 1.020 -3.133 -3.216 -7.459 -99.200 -91.000 TYR 32 0.840 -5.325 -7.559 2.925 -99.200 -91.000 TYR 40 0.840 3.305 -17.523 10.994 -99.200 -91.000 TYR 41 0.840 3.546 -12.307 10.693 -99.200 -91.000 PHE 53 1.000 15.031 9.858 9.454 -99.200 -91.000 TYR 58 0.840 9.200 18.347 4.740 -99.200 -91.000 HIS 61 0.900 3.293 23.010 6.711 -99.200 -91.000 TYR 62 0.840 3.600 17.745 5.451 -99.200 -91.000 PHE 66 1.000 3.979 8.623 9.566 -99.200 -91.000 HIS 73 0.900 -6.346 4.146 10.159 -99.200 -91.000 PHE 74 1.000 3.240 0.195 11.106 -99.200 -91.000 HIS 78 0.900 -0.058 -8.467 15.216 -99.200 -91.000 PHE 82 1.000 3.700 4.467 16.010 -99.200 -91.000 TYR 83 0.840 12.284 2.281 16.583 -99.200 -91.000 PHE 103 1.000 6.598 8.886 21.874 -99.200 -91.000 PHE 106 1.000 16.455 7.451 19.045 -99.200 -91.000 TRP 114 1.040 14.909 20.417 -1.184 -99.200 -91.000 TRP6 114 1.020 14.377 18.481 -2.436 -99.200 -91.000 HIS 128 0.900 18.810 6.165 15.431 -99.200 -91.000 HIS 132 0.900 17.336 2.228 18.519 -99.200 -91.000 HIS 135 0.900 20.524 -5.835 19.595 -99.200 -91.000 PHE 139 1.000 8.697 -9.350 9.831 -99.200 -91.000 PHE 141 1.000 6.418 -1.949 6.259 -99.200 -91.000 PHE 149 1.000 0.242 4.532 8.520 -99.200 -91.000 PHE 153 1.000 1.115 0.170 5.403 -99.200 -91.000 TRP 168 1.040 1.352 10.385 -9.596 -99.200 -91.000 TRP6 168 1.020 -0.071 11.752 -10.903 -99.200 -91.000 TRP 169 1.040 6.018 7.154 -12.647 -99.200 -91.000 TRP6 169 1.020 6.059 8.025 -14.844 -99.200 -91.000 TYR 170 0.840 -1.437 1.219 -10.819 -99.200 -91.000 PHE 177 1.000 8.655 1.753 -14.448 -99.200 -91.000 TYR 179 0.840 13.846 2.363 -13.193 -99.200 -91.000 TYR 188 0.840 22.961 3.768 -16.800 -99.200 -91.000 PHE 191 1.000 16.064 5.358 -21.472 -99.200 -91.000 PHE 196 1.000 6.737 -4.665 -10.688 -99.200 -91.000 TYR 197 0.840 10.206 5.564 -9.978 -99.200 -91.000 TYR 198 0.840 10.372 -1.764 -6.751 -99.200 -91.000 HIS 199 0.900 6.319 7.387 -3.187 -99.200 -91.000 PHE 203 1.000 13.301 2.316 2.982 -99.200 -91.000 PHE 218 1.000 25.021 8.188 3.598 -99.200 -91.000 TRP 233 1.040 12.733 11.741 -9.852 -99.200 -91.000 TRP6 233 1.020 11.410 13.529 -9.044 -99.200 -91.000 HIS 234 0.900 16.704 14.526 -4.945 -99.200 -91.000 HIS 238 0.900 21.780 6.812 -5.143 -99.200 -91.000 TYR 242 0.840 19.111 -3.084 -1.754 -99.200 -91.000 PHE 243 1.000 13.483 -2.391 -2.601 -99.200 -91.000 TYR 256 0.840 -1.280 -2.192 1.491 -99.200 -91.000 TRP 258 1.040 -4.885 6.848 -4.965 -99.200 -91.000 TRP6 258 1.020 -4.017 5.894 -6.945 -99.200 -91.000 TYR 260 0.840 -7.548 9.697 -1.737 -99.200 -91.000 HIS 261 0.900 -3.359 16.484 -8.922 -99.200 -91.000 TRP 275 1.040 1.373 9.781 -2.615 -99.200 -91.000 TRP6 275 1.020 2.545 10.558 -4.516 -99.200 -91.000 TYR 280 0.840 7.766 19.668 -2.995 -99.200 -91.000