============================================================================= 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. PHE 2 1.000 43.862 50.252 5.239 -99.200 -91.000 TYR 6 0.840 43.343 45.879 8.187 -99.200 -91.000 TRP 11 1.040 31.625 41.442 12.459 -99.200 -91.000 TRP6 11 1.020 31.259 41.621 14.790 -99.200 -91.000 PHE 12 1.000 33.632 38.463 7.634 -99.200 -91.000 TYR 21 0.840 39.830 37.679 31.666 -99.200 -91.000 HIS 38 0.900 41.789 49.219 36.719 -99.200 -91.000 PHE 40 1.000 39.378 39.516 36.324 -99.200 -91.000 TYR 48 0.840 41.361 56.864 29.122 -99.200 -91.000 TYR 50 0.840 41.400 50.651 26.239 -99.200 -91.000 TYR 51 0.840 38.454 46.096 33.310 -99.200 -91.000 PHE 78 1.000 22.547 52.454 27.957 -99.200 -91.000 HIS 82 0.900 28.153 57.350 23.407 -99.200 -91.000 PHE 84 1.000 29.997 57.823 19.182 -99.200 -91.000 PHE 98 1.000 45.540 49.719 10.686 -99.200 -91.000 PHE 104 1.000 44.430 52.150 15.496 -99.200 -91.000 PHE 121 1.000 19.228 41.657 21.839 -99.200 -91.000 PHE 136 1.000 26.698 40.374 29.513 -99.200 -91.000 PHE 140 1.000 34.001 47.012 31.826 -99.200 -91.000 TYR 148 0.840 28.751 48.989 39.259 -99.200 -91.000 TYR 156 0.840 26.693 36.033 21.227 -99.200 -91.000