============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. PHE 3 1.000 14.164 -22.278 26.185 -99.200 -91.000 TYR 8 0.840 13.469 -16.771 25.250 -99.200 -91.000 TYR 30 0.840 8.145 12.956 13.618 -99.200 -91.000 PHE 34 1.000 8.502 8.815 7.612 -99.200 -91.000 PHE 38 1.000 8.150 1.153 -0.706 -99.200 -91.000 PHE 39 1.000 8.612 -1.460 8.120 -99.200 -91.000 PHE 53 1.000 0.762 -5.426 14.684 -99.200 -91.000 TYR 63 0.840 2.981 1.205 0.040 -99.200 -91.000 HIS 72 0.900 14.615 -9.360 -10.250 -99.200 -91.000 TRP 102 1.040 17.602 -0.917 -6.985 -99.200 -91.000 TRP6 102 1.020 15.580 -0.232 -6.010 -99.200 -91.000 TRP 127 1.040 19.479 6.241 10.808 -99.200 -91.000 TRP6 127 1.020 18.019 6.913 9.085 -99.200 -91.000 HIS 128 0.900 24.266 -2.271 13.179 -99.200 -91.000 HIS 132 0.900 17.444 -12.590 17.438 -99.200 -91.000 TYR 138 0.840 14.483 -12.588 21.986 -99.200 -91.000 TYR 140 0.840 6.673 -11.060 14.939 -99.200 -91.000 TYR 143 0.840 5.830 -5.879 17.439 -99.200 -91.000 TRP 144 1.040 11.139 -1.301 22.013 -99.200 -91.000 TRP6 144 1.020 12.543 -3.138 22.539 -99.200 -91.000 PHE 146 1.000 4.540 0.705 12.244 -99.200 -91.000 PHE 147 1.000 3.469 -0.716 17.088 -99.200 -91.000 PHE 156 1.000 1.204 2.422 19.744 -99.200 -91.000 TYR 159 0.840 7.258 4.092 21.793 -99.200 -91.000 PHE 162 1.000 4.285 -1.693 21.793 -99.200 -91.000 PHE 180 1.000 2.548 -25.263 22.140 -99.200 -91.000 TYR 191 0.840 -2.136 -34.029 14.203 -99.200 -91.000 HIS 192 0.900 6.191 -38.815 13.963 -99.200 -91.000 TYR 196 0.840 -2.887 -31.205 2.503 -99.200 -91.000 TRP 197 1.040 0.470 -26.012 9.501 -99.200 -91.000 TRP6 197 1.020 0.982 -25.338 11.713 -99.200 -91.000 TRP 203 1.040 0.081 -14.623 5.364 -99.200 -91.000 TRP6 203 1.020 -0.828 -16.771 4.959 -99.200 -91.000 TYR 207 0.840 5.229 -16.472 3.697 -99.200 -91.000 PHE 209 1.000 5.776 -24.561 12.968 -99.200 -91.000 TRP 217 1.040 13.492 -32.151 3.668 -99.200 -91.000 TRP6 217 1.020 14.953 -33.962 3.397 -99.200 -91.000 PHE 228 1.000 -10.825 -23.712 5.618 -99.200 -91.000 PHE 229 1.000 -14.900 -20.668 6.230 -99.200 -91.000 HIS 230 0.900 -14.435 -16.594 -0.184 -99.200 -91.000 PHE 261 1.000 -15.939 -26.057 6.803 -99.200 -91.000 TYR 277 0.840 -0.102 -20.210 25.600 -99.200 -91.000 PHE 286 1.000 0.119 -1.279 25.073 -99.200 -91.000 TRP 288 1.040 -3.930 -4.785 18.595 -99.200 -91.000 TRP6 288 1.020 -3.903 -4.386 16.275 -99.200 -91.000 HIS 305 0.900 8.427 -31.341 22.523 -99.200 -91.000 PHE 306 1.000 5.567 -31.547 13.661 -99.200 -91.000 TYR 309 0.840 7.488 -37.673 19.469 -99.200 -91.000 HIS 312 0.900 14.885 -34.117 7.881 -99.200 -91.000 TYR 319 0.840 16.583 -30.301 -3.297 -99.200 -91.000 TYR 320 0.840 18.133 -21.835 2.550 -99.200 -91.000 PHE 323 1.000 21.706 -27.298 -6.126 -99.200 -91.000 TYR 325 0.840 19.560 -22.679 -4.739 -99.200 -91.000