============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. TYR 6 0.840 4.968 6.086 8.867 -99.200 -91.000 PHE 22 1.000 9.290 1.344 0.161 -99.200 -91.000 TYR 23 0.840 11.759 -5.482 5.116 -99.200 -91.000 HIS 26 0.900 12.885 3.338 0.738 -99.200 -91.000 TYR 28 0.840 9.092 2.877 5.290 -99.200 -91.000 PHE 30 1.000 1.157 4.004 5.965 -99.200 -91.000 HIS 60 0.900 -20.895 8.924 31.588 -99.200 -91.000 PHE 71 1.000 2.096 3.872 29.947 -99.200 -91.000 HIS 80 0.900 0.463 -6.736 28.391 -99.200 -91.000 TYR 82 0.840 -9.651 -5.140 32.068 -99.200 -91.000 TYR 85 0.840 -1.275 -9.003 24.019 -99.200 -91.000 PHE 88 1.000 -5.656 -7.346 15.165 -99.200 -91.000 TRP 89 1.040 -0.522 -9.511 17.867 -99.200 -91.000 TRP6 89 1.020 -0.372 -7.483 16.625 -99.200 -91.000 PHE 98 1.000 0.909 -10.286 11.144 -99.200 -91.000 PHE 102 1.000 7.757 -11.887 8.186 -99.200 -91.000 PHE 107 1.000 6.182 -18.165 17.408 -99.200 -91.000 PHE 109 1.000 9.225 -12.062 18.548 -99.200 -91.000 TYR 116 0.840 -2.067 1.731 28.798 -99.200 -91.000 TYR 117 0.840 2.675 5.672 25.242 -99.200 -91.000 PHE 128 1.000 5.623 13.845 26.358 -99.200 -91.000 HIS 129 0.900 8.881 9.048 33.138 -99.200 -91.000 TYR 130 0.840 4.752 7.606 29.429 -99.200 -91.000 PHE 134 1.000 16.192 8.534 16.170 -99.200 -91.000 HIS 135 0.900 13.670 1.442 20.286 -99.200 -91.000 PHE 139 1.000 21.545 -2.548 22.427 -99.200 -91.000 TYR 140 0.840 13.933 -4.703 22.538 -99.200 -91.000 PHE 147 1.000 13.448 -8.982 15.695 -99.200 -91.000 PHE 150 1.000 4.377 -7.465 10.604 -99.200 -91.000 TRP 151 1.040 3.754 1.327 16.459 -99.200 -91.000 TRP6 151 1.020 2.032 2.836 15.796 -99.200 -91.000 HIS 171 0.900 17.005 -1.328 6.025 -99.200 -91.000 HIS 178 0.900 20.653 0.613 20.472 -99.200 -91.000 PHE 184 1.000 13.934 8.933 25.561 -99.200 -91.000 PHE 187 1.000 10.357 -2.649 34.796 -99.200 -91.000 HIS 189 0.900 16.707 1.150 38.283 -99.200 -91.000 HIS 204 0.900 15.942 12.097 3.805 -99.200 -91.000 HIS 207 0.900 4.277 10.182 13.389 -99.200 -91.000 PHE 218 1.000 9.471 -0.778 13.323 -99.200 -91.000 HIS 219 0.900 16.565 -5.401 8.915 -99.200 -91.000 HIS 221 0.900 20.382 -5.387 12.367 -99.200 -91.000 HIS 224 0.900 12.142 1.160 16.318 -99.200 -91.000 HIS 251 0.900 16.665 -19.655 18.556 -99.200 -91.000 PHE 254 1.000 13.238 -13.831 28.003 -99.200 -91.000 TRP 260 1.040 5.140 -5.971 28.332 -99.200 -91.000 TRP6 260 1.020 4.324 -5.306 30.464 -99.200 -91.000