============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TYR 4 0.840 12.709 21.049 12.888 -99.200 -91.000 PHE 92 1.000 27.965 17.325 34.171 -99.200 -91.000 PHE 97 1.000 19.072 24.804 30.571 -99.200 -91.000 PHE 106 1.000 -2.439 1.863 38.035 -99.200 -91.000 HIS 112 0.900 -12.620 -2.260 39.496 -99.200 -91.000 TRP 118 1.040 -4.513 8.285 45.576 -99.200 -91.000 TRP6 118 1.020 -5.925 9.418 44.030 -99.200 -91.000 HIS 119 0.900 -1.423 6.539 49.050 -99.200 -91.000 PHE 130 1.000 7.432 20.133 47.906 -99.200 -91.000 TYR 131 0.840 9.835 14.544 48.395 -99.200 -91.000 TYR 137 0.840 14.145 28.320 45.889 -99.200 -91.000 TRP 140 1.040 23.357 26.468 40.532 -99.200 -91.000 TRP6 140 1.020 25.581 26.751 41.310 -99.200 -91.000 HIS 144 0.900 24.420 30.066 41.745 -99.200 -91.000 PHE 159 1.000 -5.267 10.083 31.944 -99.200 -91.000 HIS 164 0.900 -3.969 6.362 38.717 -99.200 -91.000 TYR 173 0.840 -1.332 24.637 34.155 -99.200 -91.000 TRP 183 1.040 10.696 28.968 44.448 -99.200 -91.000 TRP6 183 1.020 11.130 26.730 43.801 -99.200 -91.000 TYR 199 0.840 6.053 3.554 18.376 -99.200 -91.000 TYR 207 0.840 3.344 -4.662 28.205 -99.200 -91.000 TRP 210 1.040 0.750 -7.954 20.934 -99.200 -91.000 TRP6 210 1.020 0.110 -8.105 23.192 -99.200 -91.000 PHE 214 1.000 -0.064 -3.276 24.425 -99.200 -91.000 PHE 215 1.000 1.783 3.935 21.755 -99.200 -91.000 PHE 219 1.000 -6.203 5.782 12.711 -99.200 -91.000 PHE 239 1.000 10.669 28.807 22.110 -99.200 -91.000 PHE 247 1.000 8.253 39.618 29.804 -99.200 -91.000 TYR 262 0.840 -12.015 14.402 17.502 -99.200 -91.000 HIS 264 0.900 -17.439 10.975 22.410 -99.200 -91.000 TYR 266 0.840 -16.075 19.034 13.812 -99.200 -91.000 HIS 271 0.900 -6.390 14.630 8.588 -99.200 -91.000 TRP 274 1.040 -0.646 16.924 12.224 -99.200 -91.000 TRP6 274 1.020 -2.366 18.501 12.662 -99.200 -91.000 PHE 291 1.000 -7.417 0.572 13.701 -99.200 -91.000