============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 9 1.040 23.600 -3.294 17.491 -99.200 -91.000 TRP6 9 1.020 21.560 -2.571 16.537 -99.200 -91.000 PHE 13 1.000 27.162 4.258 16.248 -99.200 -91.000 PHE 22 1.000 21.742 0.712 11.839 -99.200 -91.000 TYR 44 0.840 20.398 14.767 15.604 -99.200 -91.000 PHE 50 1.000 11.671 17.815 2.898 -99.200 -91.000 HIS 67 0.900 7.808 7.570 -17.934 -99.200 -91.000 PHE 70 1.000 12.916 16.810 -12.279 -99.200 -91.000 TRP 72 1.040 23.361 22.792 -15.728 -99.200 -91.000 TRP6 72 1.020 25.324 22.589 -17.040 -99.200 -91.000 TRP 81 1.040 24.321 17.939 -7.581 -99.200 -91.000 TRP6 81 1.020 24.482 19.551 -5.856 -99.200 -91.000 PHE 99 1.000 14.417 16.070 -5.508 -99.200 -91.000 TYR 113 0.840 0.557 16.758 -0.316 -99.200 -91.000 PHE 117 1.000 3.827 12.830 2.798 -99.200 -91.000 TYR 119 0.840 10.208 14.309 6.789 -99.200 -91.000 PHE 131 1.000 11.357 22.874 3.638 -99.200 -91.000 TRP 132 1.040 16.045 20.088 1.742 -99.200 -91.000 TRP6 132 1.020 14.785 21.548 0.363 -99.200 -91.000 PHE 147 1.000 8.439 9.772 4.774 -99.200 -91.000 TYR 152 0.840 7.830 -2.886 2.483 -99.200 -91.000 TYR 178 0.840 20.911 -7.407 0.433 -99.200 -91.000 HIS 181 0.900 13.321 0.062 -2.453 -99.200 -91.000 PHE 186 1.000 28.404 16.541 4.909 -99.200 -91.000 TRP 199 1.040 19.884 12.624 8.671 -99.200 -91.000 TRP6 199 1.020 18.396 11.548 10.167 -99.200 -91.000 TRP 200 1.040 22.730 4.760 3.585 -99.200 -91.000 TRP6 200 1.020 23.408 2.513 3.906 -99.200 -91.000 TRP 203 1.040 12.425 -0.671 1.922 -99.200 -91.000 TRP6 203 1.020 11.704 1.484 1.257 -99.200 -91.000 TYR 211 0.840 16.010 -7.737 8.438 -99.200 -91.000 PHE 212 1.000 10.286 -1.148 7.123 -99.200 -91.000 PHE 213 1.000 19.196 1.340 6.126 -99.200 -91.000 PHE 215 1.000 25.144 6.092 11.171 -99.200 -91.000