============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 35 1.000 37.436 47.980 81.312 -99.200 -91.000 HIS 37 0.900 36.037 43.803 86.617 -99.200 -91.000 TRP 38 1.040 35.195 46.143 94.528 -99.200 -91.000 TRP6 38 1.020 36.872 46.343 96.154 -99.200 -91.000 TYR 39 0.840 36.166 38.342 91.145 -99.200 -91.000 TYR 52 0.840 29.011 44.223 85.829 -99.200 -91.000 PHE 65 1.000 27.742 42.451 99.734 -99.200 -91.000 PHE 74 1.000 39.078 51.671 91.358 -99.200 -91.000 TYR 89 0.840 33.895 40.520 101.229 -99.200 -91.000 TYR 90 0.840 40.540 36.711 96.969 -99.200 -91.000 PHE 101 1.000 41.958 37.746 90.354 -99.200 -91.000 PHE 121 1.000 44.126 14.596 122.925 -99.200 -91.000 PHE 138 1.000 43.049 17.717 118.723 -99.200 -91.000 PHE 142 1.000 42.446 29.891 119.035 -99.200 -91.000 TYR 143 0.840 37.324 37.301 117.897 -99.200 -91.000 TRP 151 1.040 54.300 20.862 119.486 -99.200 -91.000 TRP6 151 1.020 53.318 19.140 120.754 -99.200 -91.000 TRP 166 1.040 45.584 28.295 112.624 -99.200 -91.000 TRP6 166 1.020 47.480 27.491 111.485 -99.200 -91.000 TYR 176 0.840 39.170 32.474 113.904 -99.200 -91.000 TYR 189 0.840 56.666 8.858 122.662 -99.200 -91.000 HIS 192 0.900 63.895 13.211 123.544 -99.200 -91.000 TYR 195 0.840 57.755 13.691 124.174 -99.200 -91.000 HIS 201 0.900 43.957 33.947 122.474 -99.200 -91.000 PHE 212 1.000 52.736 13.495 126.543 -99.200 -91.000