============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. HIS 12 0.900 18.719 50.050 -52.701 -99.200 -91.000 TRP 23 1.040 17.476 49.202 -36.116 -99.200 -91.000 TRP6 23 1.020 15.987 50.763 -35.123 -99.200 -91.000 PHE 32 1.000 10.891 49.230 -30.036 -99.200 -91.000 PHE 40 1.000 11.989 53.284 -38.149 -99.200 -91.000 HIS 62 0.900 12.564 46.092 -26.363 -99.200 -91.000 TRP 80 1.040 -1.672 51.573 -50.342 -99.200 -91.000 TRP6 80 1.020 -0.701 53.728 -50.162 -99.200 -91.000 HIS 84 0.900 -4.027 54.697 -51.360 -99.200 -91.000 HIS 87 0.900 -9.033 50.829 -63.957 -99.200 -91.000 TRP 117 1.040 5.828 50.201 -57.403 -99.200 -91.000 TRP6 117 1.020 5.831 48.139 -56.223 -99.200 -91.000 HIS 120 0.900 6.519 55.699 -62.438 -99.200 -91.000 TYR 130 0.840 7.010 48.207 -44.015 -99.200 -91.000 TRP 133 1.040 1.410 52.191 -43.767 -99.200 -91.000 TRP6 133 1.020 1.277 50.336 -45.249 -99.200 -91.000 TYR 145 0.840 9.127 49.527 -24.261 -99.200 -91.000