============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 10 0.840 35.362 13.425 38.406 -99.200 -91.000 TYR 14 0.840 39.061 9.781 29.935 -99.200 -91.000 PHE 16 1.000 30.702 14.448 29.731 -99.200 -91.000 PHE 20 1.000 23.270 22.006 26.808 -99.200 -91.000 HIS 22 0.900 24.605 30.098 20.661 -99.200 -91.000 TYR 33 0.840 22.509 25.562 28.033 -99.200 -91.000 PHE 41 1.000 14.151 27.953 30.099 -99.200 -91.000 TRP 53 1.040 31.350 20.417 23.067 -99.200 -91.000 TRP6 53 1.020 32.679 21.627 21.521 -99.200 -91.000 TYR 70 0.840 10.668 15.235 40.304 -99.200 -91.000 HIS 85 0.900 -2.805 12.455 28.385 -99.200 -91.000 HIS 86 0.900 1.848 13.749 28.042 -99.200 -91.000 HIS 97 0.900 12.816 4.233 31.249 -99.200 -91.000 TYR 109 0.840 14.849 3.801 26.255 -99.200 -91.000 PHE 116 1.000 12.446 0.217 43.523 -99.200 -91.000 HIS 118 0.900 11.664 5.117 35.027 -99.200 -91.000 TYR 124 0.840 32.700 9.490 23.520 -99.200 -91.000 HIS 137 0.900 20.121 14.380 17.364 -99.200 -91.000 TYR 138 0.840 20.038 12.649 25.841 -99.200 -91.000 TYR 140 0.840 14.469 16.204 28.506 -99.200 -91.000 PHE 174 1.000 20.709 18.963 29.976 -99.200 -91.000