============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. HIS 20 0.900 -1.114 61.676 97.331 -99.200 -91.000 PHE 22 1.000 -1.611 62.017 90.551 -99.200 -91.000 TYR 33 0.840 2.277 58.007 59.423 -99.200 -91.000 PHE 51 1.000 -3.097 57.250 92.535 -99.200 -91.000 TYR 53 0.840 2.306 55.269 87.208 -99.200 -91.000 PHE 60 1.000 0.932 59.214 82.727 -99.200 -91.000 PHE 64 1.000 2.701 58.423 69.134 -99.200 -91.000 TYR 67 0.840 -7.308 55.129 62.292 -99.200 -91.000 TYR 74 0.840 -12.050 63.558 65.034 -99.200 -91.000 PHE 75 1.000 -8.160 59.561 66.960 -99.200 -91.000 PHE 79 1.000 -1.674 66.150 65.993 -99.200 -91.000 TYR 83 0.840 -6.176 64.137 69.482 -99.200 -91.000 TRP 85 1.040 -7.215 62.480 74.985 -99.200 -91.000 TRP6 85 1.020 -7.370 61.724 77.219 -99.200 -91.000 PHE 91 1.000 -11.696 52.809 87.836 -99.200 -91.000 PHE 110 1.000 2.003 63.483 67.795 -99.200 -91.000 TYR 112 0.840 0.724 63.074 74.619 -99.200 -91.000 HIS 115 0.900 -4.990 70.174 83.778 -99.200 -91.000 PHE 121 1.000 -10.881 55.225 91.965 -99.200 -91.000 TRP 135 1.040 -5.366 49.555 82.371 -99.200 -91.000 TRP6 135 1.020 -7.577 49.908 83.123 -99.200 -91.000 TYR 143 0.840 -20.164 55.974 69.064 -99.200 -91.000 HIS 155 0.900 -9.332 48.607 79.097 -99.200 -91.000 HIS 164 0.900 -9.863 39.482 84.542 -99.200 -91.000 HIS 165 0.900 -12.693 47.122 90.258 -99.200 -91.000 PHE 169 1.000 -10.687 53.102 80.201 -99.200 -91.000 TYR 173 0.840 -10.761 59.869 71.319 -99.200 -91.000 TYR 184 0.840 -20.162 50.668 62.203 -99.200 -91.000 HIS 185 0.900 -12.653 53.994 63.108 -99.200 -91.000 PHE 186 1.000 -15.855 47.759 65.669 -99.200 -91.000 HIS 189 0.900 -5.593 50.103 74.542 -99.200 -91.000 HIS 196 0.900 6.748 48.316 89.226 -99.200 -91.000 TYR 200 0.840 4.020 50.664 90.195 -99.200 -91.000 TYR 206 0.840 4.915 48.934 73.190 -99.200 -91.000 TYR 213 0.840 -11.411 47.756 57.166 -99.200 -91.000