============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 30 0.840 19.205 -24.909 27.211 -99.200 -91.000 TYR 47 0.840 18.139 -29.399 19.152 -99.200 -91.000 HIS 53 0.900 22.171 -36.745 13.361 -99.200 -91.000 TYR 61 0.840 26.572 -16.756 3.976 -99.200 -91.000 HIS 62 0.900 29.621 -13.762 2.595 -99.200 -91.000 TYR 64 0.840 28.291 -14.823 12.638 -99.200 -91.000 HIS 78 0.900 23.735 -9.258 10.092 -99.200 -91.000 PHE 104 1.000 16.654 -27.422 -1.630 -99.200 -91.000 HIS 105 0.900 21.068 -22.297 2.746 -99.200 -91.000 PHE 112 1.000 13.934 -16.801 22.477 -99.200 -91.000 TYR 133 0.840 2.258 -13.760 13.667 -99.200 -91.000 PHE 155 1.000 0.908 -3.174 12.928 -99.200 -91.000 PHE 161 1.000 7.093 0.765 18.811 -99.200 -91.000 TYR 167 0.840 21.451 -4.725 7.847 -99.200 -91.000 HIS 170 0.900 17.274 -14.026 3.274 -99.200 -91.000 PHE 176 1.000 22.033 -17.389 5.600 -99.200 -91.000 HIS 177 0.900 21.850 -14.061 3.522 -99.200 -91.000 HIS 184 0.900 11.654 -6.459 6.224 -99.200 -91.000 TYR 185 0.840 12.451 0.630 2.881 -99.200 -91.000 PHE 200 1.000 8.649 -13.950 -0.325 -99.200 -91.000 TRP 220 1.040 31.281 -9.937 11.638 -99.200 -91.000 TRP6 220 1.020 30.334 -11.124 9.843 -99.200 -91.000 TYR 233 0.840 8.926 -11.654 17.098 -99.200 -91.000 HIS 235 0.900 7.514 -17.473 11.379 -99.200 -91.000 HIS 261 0.900 -4.593 -14.560 0.971 -99.200 -91.000