============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 12 1.040 -3.815 39.772 42.669 -99.200 -91.000 TRP6 12 1.020 -4.800 39.857 44.811 -99.200 -91.000 TYR 20 0.840 1.118 21.119 28.670 -99.200 -91.000 TRP 26 1.040 8.740 25.925 27.723 -99.200 -91.000 TRP6 26 1.020 8.994 24.218 29.336 -99.200 -91.000 HIS 28 0.900 -1.651 28.970 32.984 -99.200 -91.000 TRP 39 1.040 10.577 23.993 48.835 -99.200 -91.000 TRP6 39 1.020 9.981 21.785 48.231 -99.200 -91.000 HIS 45 0.900 -7.274 16.656 38.446 -99.200 -91.000 PHE 53 1.000 3.910 19.370 35.071 -99.200 -91.000 HIS 60 0.900 -0.526 41.599 34.031 -99.200 -91.000 TYR 71 0.840 10.327 32.845 31.081 -99.200 -91.000 HIS 80 0.900 -1.617 14.758 51.965 -99.200 -91.000 TYR 82 0.840 -4.030 9.459 53.800 -99.200 -91.000 TRP 83 1.040 -3.997 13.630 43.742 -99.200 -91.000 TRP6 83 1.020 -6.059 14.797 43.680 -99.200 -91.000 TYR 91 0.840 -6.485 13.617 52.102 -99.200 -91.000 TYR 107 0.840 7.170 44.008 38.392 -99.200 -91.000 TYR 127 0.840 -10.534 40.953 45.031 -99.200 -91.000 TRP 131 1.040 -2.050 34.476 33.360 -99.200 -91.000 TRP6 131 1.020 -0.670 33.992 35.200 -99.200 -91.000 TYR 148 0.840 -15.720 40.390 47.023 -99.200 -91.000 TYR 154 0.840 -18.586 20.989 56.193 -99.200 -91.000 TYR 160 0.840 -25.091 27.071 48.511 -99.200 -91.000 TRP 161 1.040 -19.619 22.735 45.385 -99.200 -91.000 TRP6 161 1.020 -19.101 21.513 43.427 -99.200 -91.000 HIS 190 0.900 -3.939 35.988 45.953 -99.200 -91.000 TYR 197 0.840 -6.167 41.314 49.904 -99.200 -91.000 HIS 200 0.900 -6.990 32.520 54.729 -99.200 -91.000 PHE 205 1.000 -14.185 20.101 44.073 -99.200 -91.000 PHE 220 1.000 -10.946 28.678 45.640 -99.200 -91.000 TYR 226 0.840 -4.163 19.704 53.092 -99.200 -91.000 TRP 229 1.040 2.011 16.980 53.198 -99.200 -91.000 TRP6 229 1.020 2.027 18.178 51.156 -99.200 -91.000