============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. HIS 16 0.900 79.407 17.427 4.928 -99.200 -91.000 TYR 30 0.840 62.357 6.163 -9.303 -99.200 -91.000 TYR 36 0.840 73.252 8.704 -16.195 -99.200 -91.000 TYR 37 0.840 67.676 13.264 -13.241 -99.200 -91.000 PHE 62 1.000 80.982 13.256 -10.983 -99.200 -91.000 TRP 72 1.040 75.982 6.957 -23.343 -99.200 -91.000 TRP6 72 1.020 75.850 8.001 -21.299 -99.200 -91.000 TYR 78 0.840 85.334 12.998 -17.433 -99.200 -91.000 PHE 91 1.000 82.082 30.440 -17.873 -99.200 -91.000 PHE 97 1.000 85.482 22.013 -23.191 -99.200 -91.000 TYR 112 0.840 67.237 23.727 -15.453 -99.200 -91.000 TYR 113 0.840 59.982 16.061 -17.426 -99.200 -91.000 HIS 115 0.900 54.696 20.779 -24.615 -99.200 -91.000 PHE 117 1.000 64.783 22.232 -20.192 -99.200 -91.000 HIS 118 0.900 65.365 19.970 -28.790 -99.200 -91.000 PHE 134 1.000 66.805 29.659 -19.868 -99.200 -91.000 TYR 136 0.840 60.892 27.497 -11.687 -99.200 -91.000 HIS 137 0.900 56.927 33.344 -7.760 -99.200 -91.000 TYR 144 0.840 67.640 29.129 -5.227 -99.200 -91.000 PHE 149 1.000 62.395 39.962 -14.483 -99.200 -91.000 TYR 169 0.840 59.583 35.851 -11.547 -99.200 -91.000 TYR 175 0.840 74.302 30.302 -14.622 -99.200 -91.000 PHE 176 1.000 72.052 27.964 -23.067 -99.200 -91.000 TYR 177 0.840 77.831 33.002 -19.325 -99.200 -91.000 TYR 205 0.840 78.024 38.297 -20.950 -99.200 -91.000 TYR 220 0.840 59.551 25.053 -19.239 -99.200 -91.000 TRP 222 1.040 66.089 25.293 -11.388 -99.200 -91.000 TRP6 222 1.020 66.326 27.078 -9.881 -99.200 -91.000 HIS 228 0.900 70.465 15.956 4.622 -99.200 -91.000 PHE 237 1.000 58.409 16.937 -10.725 -99.200 -91.000 TYR 257 0.840 67.013 5.142 -31.250 -99.200 -91.000 TRP 261 1.040 73.688 14.110 -31.416 -99.200 -91.000 TRP6 261 1.020 73.539 15.273 -29.347 -99.200 -91.000 TYR 279 0.840 69.194 3.663 -17.622 -99.200 -91.000 TYR 282 0.840 63.139 4.131 -21.065 -99.200 -91.000 TYR 292 0.840 53.926 9.298 -32.356 -99.200 -91.000