============================================================================= 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. HIS 1 0.900 29.430 59.981 1.561 -99.200 -91.000 PHE 6 1.000 25.008 45.313 14.759 -99.200 -91.000 PHE 13 1.000 46.055 58.269 19.197 -99.200 -91.000 PHE 14 1.000 41.040 63.695 15.980 -99.200 -91.000 TYR 17 0.840 49.035 66.799 19.198 -99.200 -91.000 PHE 20 1.000 40.832 62.748 25.652 -99.200 -91.000 TYR 21 0.840 42.380 54.413 21.340 -99.200 -91.000 TYR 22 0.840 37.297 61.772 20.344 -99.200 -91.000 HIS 31 0.900 50.260 46.486 0.774 -99.200 -91.000 TYR 39 0.840 42.812 47.363 10.614 -99.200 -91.000 PHE 43 1.000 38.142 59.274 14.372 -99.200 -91.000 PHE 58 1.000 31.395 52.597 20.971 -99.200 -91.000 PHE 59 1.000 33.071 43.494 23.477 -99.200 -91.000 HIS 76 0.900 30.980 59.715 34.910 -99.200 -91.000 PHE 82 1.000 19.689 51.041 28.401 -99.200 -91.000 HIS 105 0.900 33.246 60.500 39.724 -99.200 -91.000 TYR 118 0.840 35.865 62.305 26.143 -99.200 -91.000 PHE 127 1.000 38.301 50.021 27.146 -99.200 -91.000 PHE 134 1.000 39.064 35.325 9.799 -99.200 -91.000 PHE 141 1.000 38.603 50.131 -8.974 -99.200 -91.000