============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 17 1.000 59.028 44.521 -5.843 -99.200 -91.000 PHE 30 1.000 58.264 37.741 -8.035 -99.200 -91.000 TYR 33 0.840 70.356 36.637 -5.895 -99.200 -91.000 TRP 38 1.040 79.468 52.546 -4.892 -99.200 -91.000 TRP6 38 1.020 77.179 52.400 -5.445 -99.200 -91.000 PHE 41 1.000 83.383 52.324 -10.850 -99.200 -91.000 TRP 88 1.040 75.569 31.215 4.052 -99.200 -91.000 TRP6 88 1.020 74.864 33.396 4.602 -99.200 -91.000 PHE 117 1.000 91.812 49.361 -1.890 -99.200 -91.000 TYR 127 0.840 71.893 47.516 5.047 -99.200 -91.000 TYR 137 0.840 82.692 44.718 14.742 -99.200 -91.000 TRP 140 1.040 93.550 47.781 10.614 -99.200 -91.000 TRP6 140 1.020 93.927 46.964 8.430 -99.200 -91.000 HIS 142 0.900 87.770 54.716 10.657 -99.200 -91.000 TYR 151 0.840 99.262 51.659 -0.370 -99.200 -91.000 TYR 191 0.840 89.165 42.898 -17.111 -99.200 -91.000 TYR 225 0.840 55.705 49.684 4.004 -99.200 -91.000 PHE 253 1.000 60.843 77.041 -19.016 -99.200 -91.000