============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. PHE 10 1.000 9.061 -26.562 -7.787 -99.200 -91.000 PHE 39 1.000 18.864 -0.959 -7.787 -99.200 -91.000 TYR 48 0.840 24.919 5.401 -3.448 -99.200 -91.000 TYR 59 0.840 18.182 -15.823 5.669 -99.200 -91.000 PHE 86 1.000 26.260 -4.737 -15.939 -99.200 -91.000 PHE 87 1.000 29.026 -9.224 -8.451 -99.200 -91.000 TYR 88 0.840 27.443 -2.449 -4.617 -99.200 -91.000 PHE 89 1.000 25.194 0.867 -8.257 -99.200 -91.000 PHE 90 1.000 22.514 -8.429 -13.914 -99.200 -91.000 HIS 92 0.900 23.584 -4.624 -3.300 -99.200 -91.000 PHE 93 1.000 16.223 -4.290 -11.170 -99.200 -91.000 PHE 95 1.000 21.440 -10.051 -3.617 -99.200 -91.000 TYR 96 0.840 14.230 -2.110 -5.717 -99.200 -91.000 TYR 104 0.840 2.454 -8.653 -1.802 -99.200 -91.000 PHE 108 1.000 10.828 -13.764 -6.464 -99.200 -91.000 PHE 112 1.000 21.985 -19.040 -18.946 -99.200 -91.000 PHE 114 1.000 15.501 -10.914 -20.174 -99.200 -91.000 TYR 115 0.840 19.598 -13.202 -14.312 -99.200 -91.000 TYR 118 0.840 24.587 -7.517 -19.380 -99.200 -91.000 PHE 130 1.000 18.052 -19.874 -9.811 -99.200 -91.000 TYR 132 0.840 18.489 -12.359 -0.710 -99.200 -91.000 TYR 134 0.840 18.967 -24.147 -0.667 -99.200 -91.000 TYR 156 0.840 22.132 -26.485 -21.355 -99.200 -91.000 PHE 159 1.000 24.034 -22.556 -14.840 -99.200 -91.000 PHE 161 1.000 16.925 -29.311 -12.057 -99.200 -91.000 TYR 163 0.840 27.550 -22.573 -9.973 -99.200 -91.000 TYR 174 0.840 10.278 -30.345 -33.361 -99.200 -91.000 TYR 185 0.840 17.183 -41.353 -12.120 -99.200 -91.000 TYR 192 0.840 13.854 -40.174 -9.060 -99.200 -91.000 TYR 193 0.840 17.888 -32.874 -9.779 -99.200 -91.000 PHE 196 1.000 6.567 -25.779 -14.232 -99.200 -91.000 PHE 209 1.000 7.225 -24.764 -37.145 -99.200 -91.000 TYR 221 0.840 -2.776 -27.916 -27.990 -99.200 -91.000 TYR 234 0.840 10.866 -45.732 -18.167 -99.200 -91.000 PHE 243 1.000 5.868 -29.960 -10.817 -99.200 -91.000 PHE 246 1.000 1.382 -30.952 -19.568 -99.200 -91.000 TYR 253 0.840 -7.230 -15.945 -23.636 -99.200 -91.000 TYR 258 0.840 -7.456 -31.199 -25.625 -99.200 -91.000 TYR 262 0.840 -10.011 -33.957 -23.695 -99.200 -91.000 PHE 263 1.000 -3.134 -34.231 -21.193 -99.200 -91.000 TYR 267 0.840 2.139 -29.843 -9.810 -99.200 -91.000 HIS 281 0.900 -12.791 -13.402 -15.085 -99.200 -91.000 TYR 288 0.840 -9.925 -23.086 -9.186 -99.200 -91.000 HIS 289 0.900 -6.100 -29.114 -9.384 -99.200 -91.000 TYR 292 0.840 -4.781 -21.181 -4.587 -99.200 -91.000 TYR 308 0.840 6.731 4.244 -6.702 -99.200 -91.000 TYR 316 0.840 -0.137 -7.653 -12.636 -99.200 -91.000 TYR 317 0.840 -1.222 -12.007 -2.422 -99.200 -91.000