============================================================================= 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 8 1.040 -29.633 24.707 3.457 -99.200 -91.000 TRP6 8 1.020 -29.656 22.609 2.403 -99.200 -91.000 PHE 12 1.000 -29.468 28.764 -3.740 -99.200 -91.000 PHE 21 1.000 -25.833 21.991 -1.898 -99.200 -91.000 TYR 43 0.840 -32.570 23.491 -14.847 -99.200 -91.000 PHE 49 1.000 -23.113 12.725 -21.413 -99.200 -91.000 HIS 66 0.900 -1.867 4.289 -15.824 -99.200 -91.000 PHE 69 1.000 -8.176 10.950 -23.695 -99.200 -91.000 TRP 71 1.040 -3.436 21.210 -29.001 -99.200 -91.000 TRP6 71 1.020 -1.732 22.853 -28.991 -99.200 -91.000 TRP 81 1.040 -10.244 23.066 -22.683 -99.200 -91.000 TRP6 81 1.020 -12.230 23.639 -23.866 -99.200 -91.000 PHE 99 1.000 -14.195 13.554 -21.451 -99.200 -91.000 TYR 114 0.840 -22.381 1.227 -21.948 -99.200 -91.000 PHE 118 1.000 -23.849 4.544 -17.198 -99.200 -91.000 TYR 120 0.840 -26.432 11.718 -17.162 -99.200 -91.000 PHE 132 1.000 -25.136 13.109 -26.164 -99.200 -91.000 TRP 133 1.040 -21.677 17.002 -23.498 -99.200 -91.000 TRP6 133 1.020 -21.001 15.702 -25.392 -99.200 -91.000 PHE 148 1.000 -23.905 8.998 -13.402 -99.200 -91.000 TYR 153 0.840 -19.398 6.403 -1.666 -99.200 -91.000 TYR 179 0.840 -13.736 17.946 3.694 -99.200 -91.000 HIS 182 0.900 -14.046 11.054 -5.096 -99.200 -91.000 PHE 187 1.000 -20.724 29.179 -18.433 -99.200 -91.000 TRP 200 1.040 -25.677 21.181 -14.318 -99.200 -91.000 TRP6 200 1.020 -27.309 19.927 -13.127 -99.200 -91.000 TRP 201 1.040 -18.609 21.779 -7.600 -99.200 -91.000 TRP6 201 1.020 -18.314 22.131 -5.291 -99.200 -91.000 TRP 204 1.040 -18.244 10.848 -3.519 -99.200 -91.000 TRP6 204 1.020 -18.228 10.331 -5.810 -99.200 -91.000 TYR 212 0.840 -22.285 14.715 5.135 -99.200 -91.000 PHE 213 1.000 -23.652 9.807 -2.005 -99.200 -91.000 PHE 214 1.000 -21.169 18.563 -3.970 -99.200 -91.000 PHE 216 1.000 -25.627 26.084 -6.904 -99.200 -91.000