============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 13 0.840 65.211 -28.298 6.915 -99.200 -91.000 PHE 19 1.000 78.316 -20.472 2.382 -99.200 -91.000 TRP 25 1.040 68.143 -15.618 -0.601 -99.200 -91.000 TRP6 25 1.020 67.455 -15.018 1.588 -99.200 -91.000 HIS 44 0.900 55.815 4.107 -14.153 -99.200 -91.000 TYR 52 0.840 45.736 3.263 -20.188 -99.200 -91.000 TYR 71 0.840 58.037 -8.220 -6.192 -99.200 -91.000 HIS 76 0.900 56.576 -20.329 -4.185 -99.200 -91.000 TYR 79 0.840 56.866 -17.565 3.335 -99.200 -91.000 HIS 96 0.900 63.583 -20.055 28.636 -99.200 -91.000 HIS 108 0.900 65.350 -16.094 20.635 -99.200 -91.000 TYR 140 0.840 49.486 -13.484 -0.707 -99.200 -91.000 TYR 145 0.840 47.253 -4.850 -12.996 -99.200 -91.000 PHE 177 1.000 48.610 -2.626 -8.257 -99.200 -91.000 HIS 187 0.900 61.456 -1.848 1.789 -99.200 -91.000 TYR 199 0.840 73.990 -18.013 7.445 -99.200 -91.000 TRP 203 1.040 79.525 -18.672 9.679 -99.200 -91.000 TRP6 203 1.020 80.317 -20.859 10.206 -99.200 -91.000 HIS 215 0.900 88.814 -25.840 30.341 -99.200 -91.000