============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 14 0.840 37.385 10.273 26.795 -99.200 -91.000 PHE 20 1.000 34.736 15.011 15.474 -99.200 -91.000 HIS 21 0.900 39.823 8.240 17.125 -99.200 -91.000 PHE 23 1.000 30.050 11.727 20.931 -99.200 -91.000 HIS 32 0.900 30.232 -4.502 10.524 -99.200 -91.000 TRP 47 1.040 16.016 5.157 21.721 -99.200 -91.000 TRP6 47 1.020 17.782 6.001 23.028 -99.200 -91.000 HIS 48 0.900 15.215 8.152 27.055 -99.200 -91.000 PHE 51 1.000 21.461 4.334 26.400 -99.200 -91.000 PHE 54 1.000 23.502 -0.222 23.374 -99.200 -91.000 HIS 61 0.900 36.498 -5.619 30.665 -99.200 -91.000 TRP 66 1.040 30.207 -4.645 14.915 -99.200 -91.000 TRP6 66 1.020 29.790 -6.956 14.541 -99.200 -91.000 PHE 84 1.000 18.767 1.096 21.644 -99.200 -91.000 HIS 86 0.900 18.506 1.959 11.451 -99.200 -91.000 HIS 96 0.900 31.262 12.600 15.792 -99.200 -91.000 PHE 119 1.000 37.372 21.831 28.110 -99.200 -91.000 TYR 120 0.840 43.309 17.222 29.464 -99.200 -91.000 PHE 127 1.000 31.526 1.884 25.077 -99.200 -91.000 TYR 142 0.840 34.514 22.868 31.861 -99.200 -91.000 TYR 148 0.840 55.834 22.378 41.217 -99.200 -91.000 TRP 149 1.040 53.651 16.884 47.489 -99.200 -91.000 TRP6 149 1.020 52.073 16.465 49.224 -99.200 -91.000 HIS 150 0.900 57.964 24.577 45.774 -99.200 -91.000 TYR 154 0.840 54.762 27.823 59.859 -99.200 -91.000