============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. HIS 10 0.900 -31.887 27.039 76.536 -99.200 -91.000 PHE 12 1.000 -28.832 30.039 81.300 -99.200 -91.000 PHE 16 1.000 -21.168 33.116 90.048 -99.200 -91.000 TYR 59 0.840 -4.406 21.136 87.265 -99.200 -91.000 PHE 62 1.000 3.057 25.235 90.338 -99.200 -91.000 PHE 77 1.000 -21.119 13.927 68.445 -99.200 -91.000 PHE 79 1.000 -20.277 9.813 78.567 -99.200 -91.000 TYR 80 0.840 -18.114 13.794 76.590 -99.200 -91.000 TYR 83 0.840 -25.070 14.236 80.967 -99.200 -91.000 HIS 88 0.900 -28.490 18.111 82.116 -99.200 -91.000 TYR 90 0.840 -31.629 18.896 78.474 -99.200 -91.000 PHE 96 1.000 -24.310 26.957 77.737 -99.200 -91.000 TYR 142 0.840 -3.497 32.956 69.338 -99.200 -91.000 PHE 144 1.000 -7.242 37.119 63.168 -99.200 -91.000 TYR 150 0.840 -11.438 24.704 61.875 -99.200 -91.000 TYR 158 0.840 -25.641 23.012 65.704 -99.200 -91.000 PHE 162 1.000 -21.944 28.172 65.505 -99.200 -91.000 TYR 169 0.840 -7.562 36.875 69.163 -99.200 -91.000 PHE 170 1.000 -1.987 37.779 75.022 -99.200 -91.000 HIS 174 0.900 -3.058 39.880 66.138 -99.200 -91.000 PHE 175 1.000 -8.192 42.850 72.186 -99.200 -91.000 PHE 185 1.000 -18.994 33.269 59.605 -99.200 -91.000 PHE 190 1.000 -22.419 30.411 73.622 -99.200 -91.000 PHE 218 1.000 8.175 25.801 76.049 -99.200 -91.000 TYR 225 0.840 0.952 32.524 87.271 -99.200 -91.000 PHE 237 1.000 -13.161 39.186 70.706 -99.200 -91.000 TYR 238 0.840 -20.984 44.711 76.785 -99.200 -91.000 PHE 247 1.000 -22.382 32.492 77.596 -99.200 -91.000 TYR 253 0.840 -8.216 31.859 91.924 -99.200 -91.000 PHE 259 1.000 -19.299 44.938 90.800 -99.200 -91.000 HIS 261 0.900 -14.221 37.602 83.884 -99.200 -91.000 PHE 283 1.000 -19.900 26.248 90.350 -99.200 -91.000 TYR 299 0.840 -24.889 48.475 90.714 -99.200 -91.000 PHE 305 1.000 -23.586 44.176 88.457 -99.200 -91.000