============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. HIS 13 0.900 0.078 43.650 -27.359 -99.200 -91.000 PHE 16 1.000 1.428 45.714 -40.530 -99.200 -91.000 PHE 21 1.000 10.737 44.761 -39.736 -99.200 -91.000 PHE 25 1.000 5.277 37.044 -35.808 -99.200 -91.000 HIS 31 0.900 6.421 20.944 -35.528 -99.200 -91.000 PHE 42 1.000 18.535 25.539 -22.901 -99.200 -91.000 PHE 47 1.000 24.203 36.051 -27.147 -99.200 -91.000 PHE 93 1.000 12.685 45.308 -28.680 -99.200 -91.000 TYR 99 0.840 24.227 41.339 -30.076 -99.200 -91.000 TRP 101 1.040 25.775 38.409 -34.273 -99.200 -91.000 TRP6 101 1.020 24.440 37.360 -32.638 -99.200 -91.000 TYR 116 0.840 12.823 35.608 -46.694 -99.200 -91.000 HIS 117 0.900 14.967 39.227 -43.880 -99.200 -91.000 PHE 132 1.000 27.170 32.024 -31.130 -99.200 -91.000 PHE 137 1.000 20.827 27.313 -38.009 -99.200 -91.000 TYR 156 0.840 29.832 19.646 -51.603 -99.200 -91.000 HIS 165 0.900 37.444 26.080 -41.846 -99.200 -91.000 HIS 166 0.900 34.080 28.422 -39.411 -99.200 -91.000 PHE 173 1.000 12.422 19.257 -35.410 -99.200 -91.000 PHE 180 1.000 7.498 27.999 -39.363 -99.200 -91.000 PHE 181 1.000 -1.549 34.106 -39.213 -99.200 -91.000 TRP 187 1.040 6.885 21.164 -46.232 -99.200 -91.000 TRP6 187 1.020 6.429 19.483 -44.639 -99.200 -91.000 PHE 205 1.000 35.636 28.218 -46.337 -99.200 -91.000 PHE 212 1.000 31.704 24.626 -55.046 -99.200 -91.000 TYR 228 0.840 43.516 30.116 -56.820 -99.200 -91.000 PHE 256 1.000 37.071 22.574 -52.887 -99.200 -91.000