============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. HIS 2 0.900 34.091 -12.600 1.554 -99.200 -91.000 TYR 3 0.840 33.036 -20.042 -0.588 -99.200 -91.000 TRP 15 1.040 32.178 -10.084 17.328 -99.200 -91.000 TRP6 15 1.020 33.552 -11.575 16.118 -99.200 -91.000 PHE 17 1.000 25.201 -12.159 24.966 -99.200 -91.000 HIS 27 0.900 28.747 -19.560 11.861 -99.200 -91.000 HIS 30 0.900 21.109 -14.151 14.284 -99.200 -91.000 HIS 35 0.900 26.321 -18.614 6.073 -99.200 -91.000 TYR 43 0.840 28.935 -19.659 2.054 -99.200 -91.000 TYR 51 0.840 26.168 -31.406 16.696 -99.200 -91.000 HIS 57 0.900 43.749 -32.929 18.928 -99.200 -91.000 PHE 60 1.000 45.629 -31.833 14.487 -99.200 -91.000 PHE 61 1.000 38.252 -27.219 13.497 -99.200 -91.000 TYR 63 0.840 32.191 -28.203 13.213 -99.200 -91.000 PHE 98 1.000 41.318 -28.481 -5.620 -99.200 -91.000 TRP 112 1.040 46.159 -30.243 3.198 -99.200 -91.000 TRP6 112 1.020 46.285 -28.278 4.506 -99.200 -91.000 TYR 132 0.840 44.640 -25.496 21.117 -99.200 -91.000 TYR 140 0.840 38.285 -14.785 11.653 -99.200 -91.000 TYR 144 0.840 41.325 -23.641 11.753 -99.200 -91.000 TYR 149 0.840 33.899 -35.261 2.547 -99.200 -91.000 TRP 150 1.040 36.075 -40.293 9.317 -99.200 -91.000 TRP6 150 1.020 37.420 -38.390 9.694 -99.200 -91.000 PHE 158 1.000 21.589 -43.540 17.388 -99.200 -91.000 TRP 161 1.040 28.135 -38.070 6.836 -99.200 -91.000 TRP6 161 1.020 29.665 -38.777 5.176 -99.200 -91.000 TYR 163 0.840 32.213 -32.551 7.570 -99.200 -91.000 TRP 175 1.040 46.719 -21.606 19.569 -99.200 -91.000 TRP6 175 1.020 44.981 -21.456 17.981 -99.200 -91.000 TYR 192 0.840 31.053 -7.502 27.163 -99.200 -91.000 TYR 196 0.840 25.389 -8.117 28.217 -99.200 -91.000 HIS 204 0.900 20.340 -4.649 44.878 -99.200 -91.000