============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TYR 5 0.840 1.128 11.261 -24.385 -99.200 -91.000 PHE 23 1.000 -1.301 -15.471 -7.494 -99.200 -91.000 TYR 33 0.840 12.213 -11.498 -18.505 -99.200 -91.000 TYR 43 0.840 -4.669 -16.941 -16.699 -99.200 -91.000 PHE 47 1.000 -12.192 -17.720 -9.994 -99.200 -91.000 PHE 49 1.000 -14.460 -14.330 -13.316 -99.200 -91.000 TRP 59 1.040 -15.479 -7.090 2.648 -99.200 -91.000 TRP6 59 1.020 -14.741 -6.470 4.812 -99.200 -91.000 PHE 86 1.000 -3.978 -14.353 -12.264 -99.200 -91.000 HIS 95 0.900 11.458 1.558 -17.459 -99.200 -91.000 TRP 130 1.040 -1.377 -1.341 -26.156 -99.200 -91.000 TRP6 130 1.020 -1.214 -3.011 -27.836 -99.200 -91.000 HIS 133 0.900 -8.458 -5.061 -28.088 -99.200 -91.000 PHE 137 1.000 -16.180 -9.996 -14.101 -99.200 -91.000 PHE 151 1.000 -15.429 -6.580 -5.097 -99.200 -91.000 HIS 162 0.900 8.116 7.950 -18.283 -99.200 -91.000 HIS 163 0.900 6.364 9.128 -22.543 -99.200 -91.000 TYR 168 0.840 -9.411 -0.552 -29.646 -99.200 -91.000 TYR 170 0.840 -17.611 -4.541 -21.177 -99.200 -91.000 TYR 172 0.840 -18.811 -6.321 -16.974 -99.200 -91.000 TYR 174 0.840 -13.282 -2.377 -10.934 -99.200 -91.000 TYR 182 0.840 0.125 8.424 -3.397 -99.200 -91.000 TYR 196 0.840 -6.593 6.943 -19.092 -99.200 -91.000 HIS 197 0.900 -6.700 4.262 -28.463 -99.200 -91.000 HIS 198 0.900 -10.964 3.650 -30.654 -99.200 -91.000 PHE 201 1.000 -13.501 3.945 -19.421 -99.200 -91.000 PHE 213 1.000 0.163 16.555 -8.950 -99.200 -91.000 HIS 217 0.900 -5.606 12.196 -27.634 -99.200 -91.000 TYR 219 0.840 -7.824 8.640 -29.397 -99.200 -91.000 TYR 222 0.840 -21.231 3.424 -24.819 -99.200 -91.000 PHE 223 1.000 -16.297 8.275 -20.687 -99.200 -91.000 TYR 245 0.840 -22.658 7.649 -28.231 -99.200 -91.000 PHE 246 1.000 -18.146 12.180 -22.453 -99.200 -91.000 TYR 263 0.840 -6.522 24.467 -15.122 -99.200 -91.000 TRP 264 1.040 -12.693 20.860 -19.006 -99.200 -91.000 TRP6 264 1.020 -12.889 20.446 -16.687 -99.200 -91.000 TYR 270 0.840 -23.853 11.321 -29.945 -99.200 -91.000 TRP 277 1.040 -23.728 18.609 -15.993 -99.200 -91.000 TRP6 277 1.020 -21.400 18.312 -16.251 -99.200 -91.000 TYR 286 0.840 -18.232 23.105 -7.877 -99.200 -91.000 TRP 292 1.040 -20.706 19.135 -22.666 -99.200 -91.000 TRP6 292 1.020 -19.576 17.079 -22.356 -99.200 -91.000 PHE 298 1.000 -2.237 17.637 -24.628 -99.200 -91.000 TYR 304 0.840 -0.337 10.221 -29.132 -99.200 -91.000 TYR 306 0.840 -5.118 11.733 -32.257 -99.200 -91.000