============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 11 1.000 90.666 21.446 70.220 -99.200 -91.000 HIS 18 0.900 88.780 34.770 70.262 -99.200 -91.000 TRP 19 1.040 81.177 35.536 72.243 -99.200 -91.000 TRP6 19 1.020 79.694 36.282 73.931 -99.200 -91.000 TYR 46 0.840 97.091 40.757 77.796 -99.200 -91.000 PHE 54 1.000 90.649 40.884 74.090 -99.200 -91.000 TYR 64 0.840 91.834 23.936 90.767 -99.200 -91.000 TYR 119 0.840 72.438 14.861 92.393 -99.200 -91.000 PHE 127 1.000 79.635 27.496 95.556 -99.200 -91.000 TYR 144 0.840 63.761 23.071 66.784 -99.200 -91.000 PHE 147 1.000 70.420 21.085 62.507 -99.200 -91.000 HIS 167 0.900 73.943 17.950 75.039 -99.200 -91.000 PHE 177 1.000 55.621 24.590 75.055 -99.200 -91.000 PHE 188 1.000 57.404 30.533 59.514 -99.200 -91.000 TYR 218 0.840 86.618 23.799 68.282 -99.200 -91.000 TYR 219 0.840 85.069 27.058 66.004 -99.200 -91.000 TYR 245 0.840 68.304 19.171 93.640 -99.200 -91.000 TYR 250 0.840 58.727 20.840 83.550 -99.200 -91.000 TYR 256 0.840 71.734 20.223 89.250 -99.200 -91.000 PHE 257 1.000 64.694 16.090 82.483 -99.200 -91.000