============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. TRP 18 1.040 -28.187 24.990 40.309 -99.200 -91.000 TRP6 18 1.020 -26.749 24.147 41.992 -99.200 -91.000 PHE 24 1.000 -16.469 21.430 36.098 -99.200 -91.000 TYR 36 0.840 -23.775 17.235 55.731 -99.200 -91.000 TRP 43 1.040 -6.860 14.739 58.547 -99.200 -91.000 TRP6 43 1.020 -7.934 13.181 59.974 -99.200 -91.000 HIS 56 0.900 -6.855 20.214 46.314 -99.200 -91.000 PHE 58 1.000 -16.472 24.932 47.925 -99.200 -91.000 TRP 61 1.040 -16.055 30.275 46.958 -99.200 -91.000 TRP6 61 1.020 -14.840 31.782 45.577 -99.200 -91.000 HIS 85 0.900 -18.169 21.075 51.540 -99.200 -91.000 PHE 95 1.000 -17.738 16.749 38.505 -99.200 -91.000 TRP 96 1.040 -23.575 11.743 38.589 -99.200 -91.000 TRP6 96 1.020 -22.246 11.034 40.430 -99.200 -91.000 PHE 102 1.000 -17.053 10.901 40.975 -99.200 -91.000 TYR 104 0.840 -19.218 11.105 50.742 -99.200 -91.000 TYR 116 0.840 -23.051 22.835 58.697 -99.200 -91.000 TYR 117 0.840 -24.217 24.809 68.767 -99.200 -91.000 HIS 118 0.900 -19.263 23.998 69.428 -99.200 -91.000 PHE 119 1.000 -17.385 26.540 59.265 -99.200 -91.000 HIS 124 0.900 -18.667 36.902 62.120 -99.200 -91.000 TRP 132 1.040 -27.137 20.396 71.710 -99.200 -91.000 TRP6 132 1.020 -25.750 19.783 69.884 -99.200 -91.000 TYR 135 0.840 -26.874 23.315 63.976 -99.200 -91.000 PHE 136 1.000 -31.119 16.287 68.627 -99.200 -91.000 PHE 139 1.000 -26.419 17.721 61.342 -99.200 -91.000 TRP 146 1.040 -22.920 22.693 50.100 -99.200 -91.000 TRP6 146 1.020 -21.606 24.360 51.185 -99.200 -91.000 TRP 149 1.040 -24.157 13.033 58.209 -99.200 -91.000 TRP6 149 1.020 -24.973 10.827 58.450 -99.200 -91.000 PHE 150 1.000 -30.137 11.467 59.138 -99.200 -91.000 HIS 152 0.900 -23.022 15.149 50.913 -99.200 -91.000 TRP 156 1.040 -21.937 12.184 47.380 -99.200 -91.000 TRP6 156 1.020 -20.562 12.184 45.439 -99.200 -91.000 TRP 157 1.040 -23.270 2.612 51.441 -99.200 -91.000 TRP6 157 1.020 -21.075 2.201 52.185 -99.200 -91.000 HIS 163 0.900 -21.221 6.748 38.726 -99.200 -91.000 PHE 167 1.000 -18.938 6.502 51.526 -99.200 -91.000 PHE 169 1.000 -17.344 4.792 56.432 -99.200 -91.000 TYR 170 0.840 -12.870 13.214 61.471 -99.200 -91.000 HIS 179 0.900 -5.867 0.077 56.732 -99.200 -91.000 PHE 187 1.000 -9.811 6.684 44.144 -99.200 -91.000 PHE 204 1.000 -7.277 19.577 65.882 -99.200 -91.000 PHE 208 1.000 -12.358 25.615 58.653 -99.200 -91.000 TRP 217 1.040 -21.208 10.943 69.741 -99.200 -91.000 TRP6 217 1.020 -22.789 9.848 71.124 -99.200 -91.000 HIS 220 0.900 -20.877 19.448 72.016 -99.200 -91.000 PHE 221 1.000 -26.246 14.086 69.476 -99.200 -91.000 PHE 229 1.000 -28.695 11.573 65.268 -99.200 -91.000 TYR 233 0.840 -27.697 6.686 61.709 -99.200 -91.000 PHE 244 1.000 -21.184 6.968 59.123 -99.200 -91.000