============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. TRP 6 1.040 21.677 26.950 -12.001 -99.200 -91.000 TRP6 6 1.020 20.343 27.048 -13.948 -99.200 -91.000 TRP 42 1.040 13.312 5.229 19.900 -99.200 -91.000 TRP6 42 1.020 11.401 4.136 19.028 -99.200 -91.000 PHE 53 1.000 0.376 10.260 4.793 -99.200 -91.000 TYR 59 0.840 16.305 8.718 18.102 -99.200 -91.000 HIS 69 0.900 27.203 27.426 9.282 -99.200 -91.000 PHE 99 1.000 11.264 34.770 -5.323 -99.200 -91.000 TRP 105 1.040 12.551 32.381 11.366 -99.200 -91.000 TRP6 105 1.020 13.350 31.297 13.312 -99.200 -91.000 TRP 141 1.040 -2.293 14.010 -20.421 -99.200 -91.000 TRP6 141 1.020 -2.226 11.855 -19.450 -99.200 -91.000 PHE 152 1.000 8.802 5.580 -5.821 -99.200 -91.000 TYR 158 0.840 -0.609 18.495 -18.544 -99.200 -91.000 HIS 168 0.900 10.406 37.246 -9.989 -99.200 -91.000 PHE 198 1.000 24.621 27.077 4.811 -99.200 -91.000