============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 1 0.840 27.109 34.313 7.278 -99.200 -91.000 PHE 2 1.000 23.637 26.911 13.777 -99.200 -91.000 PHE 9 1.000 15.048 31.539 11.677 -99.200 -91.000 PHE 27 1.000 -2.194 16.883 14.615 -99.200 -91.000 TYR 46 0.840 1.155 23.201 14.293 -99.200 -91.000 TRP 52 1.040 1.246 29.014 22.367 -99.200 -91.000 TRP6 52 1.020 1.374 28.437 24.657 -99.200 -91.000 HIS 88 0.900 6.321 22.179 22.645 -99.200 -91.000 HIS 91 0.900 8.831 16.582 18.214 -99.200 -91.000 HIS 118 0.900 11.465 30.440 28.642 -99.200 -91.000 PHE 119 1.000 14.449 34.990 25.359 -99.200 -91.000 TYR 134 0.840 6.622 36.884 19.005 -99.200 -91.000 TYR 138 0.840 0.856 38.091 25.185 -99.200 -91.000 TYR 139 0.840 5.763 37.076 24.701 -99.200 -91.000 PHE 141 1.000 12.002 40.098 27.852 -99.200 -91.000 PHE 148 1.000 19.960 38.736 18.645 -99.200 -91.000 PHE 149 1.000 24.425 41.885 18.791 -99.200 -91.000 HIS 155 0.900 23.039 29.614 24.294 -99.200 -91.000 PHE 161 1.000 14.718 41.474 18.275 -99.200 -91.000 PHE 164 1.000 2.199 41.432 17.804 -99.200 -91.000 TYR 171 0.840 16.704 48.824 20.566 -99.200 -91.000 HIS 194 0.900 9.023 50.841 9.930 -99.200 -91.000 PHE 196 1.000 10.130 41.995 3.341 -99.200 -91.000 HIS 218 0.900 1.593 42.203 -6.608 -99.200 -91.000 PHE 250 1.000 -10.002 41.709 10.892 -99.200 -91.000 TYR 259 0.840 -12.121 39.748 13.626 -99.200 -91.000 PHE 260 1.000 -5.513 37.025 10.231 -99.200 -91.000 TYR 262 0.840 -16.939 34.223 8.934 -99.200 -91.000 TYR 270 0.840 -8.401 26.145 7.935 -99.200 -91.000 HIS 273 0.900 -12.478 29.547 16.151 -99.200 -91.000 PHE 274 1.000 -8.136 23.144 18.047 -99.200 -91.000 TYR 287 0.840 -14.908 45.700 10.080 -99.200 -91.000 PHE 292 1.000 -12.401 37.002 1.603 -99.200 -91.000 PHE 295 1.000 -6.754 42.671 -0.676 -99.200 -91.000 TRP 298 1.040 -7.811 48.661 -3.978 -99.200 -91.000 TRP6 298 1.020 -5.654 47.705 -3.830 -99.200 -91.000 TYR 299 0.840 -4.288 41.541 -5.703 -99.200 -91.000 TRP 302 1.040 -3.207 48.572 -6.942 -99.200 -91.000 TRP6 302 1.020 -1.600 46.880 -6.492 -99.200 -91.000