============================================================================= 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. PHE 3 1.000 -13.776 -47.040 -11.036 -99.200 -91.000 HIS 15 0.900 -18.262 -43.653 -2.930 -99.200 -91.000 TYR 20 0.840 -25.792 -34.268 -4.313 -99.200 -91.000 TYR 23 0.840 -28.513 -32.575 -12.194 -99.200 -91.000 TRP 28 1.040 -24.605 -37.953 -10.751 -99.200 -91.000 TRP6 28 1.020 -23.494 -35.956 -10.228 -99.200 -91.000 PHE 34 1.000 -19.733 -39.504 -24.106 -99.200 -91.000 PHE 38 1.000 -16.896 -45.057 -18.028 -99.200 -91.000 TYR 53 0.840 -5.239 -31.543 -11.218 -99.200 -91.000 TRP 62 1.040 -14.069 -20.534 -9.823 -99.200 -91.000 TRP6 62 1.020 -16.414 -20.360 -10.170 -99.200 -91.000 TRP 63 1.040 -14.909 -26.337 -9.015 -99.200 -91.000 TRP6 63 1.020 -16.669 -25.632 -7.591 -99.200 -91.000 TRP 108 1.040 -18.379 -32.216 -14.313 -99.200 -91.000 TRP6 108 1.020 -19.770 -32.011 -12.450 -99.200 -91.000 TRP 111 1.040 -25.054 -34.010 -17.812 -99.200 -91.000 TRP6 111 1.020 -26.542 -32.179 -17.963 -99.200 -91.000 TRP 123 1.040 -24.270 -43.385 -20.854 -99.200 -91.000 TRP6 123 1.020 -22.302 -44.231 -21.849 -99.200 -91.000