============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 3 1.000 21.639 7.140 3.111 -99.200 -91.000 PHE 7 1.000 17.581 10.936 -0.535 -99.200 -91.000 TYR 29 0.840 10.382 28.318 -7.099 -99.200 -91.000 PHE 30 1.000 11.425 23.025 2.519 -99.200 -91.000 PHE 33 1.000 10.951 17.557 -3.083 -99.200 -91.000 PHE 38 1.000 2.646 15.701 2.376 -99.200 -91.000 TYR 49 0.840 3.105 17.517 15.028 -99.200 -91.000 PHE 55 1.000 14.075 18.926 8.030 -99.200 -91.000 PHE 70 1.000 13.433 26.162 14.127 -99.200 -91.000 PHE 74 1.000 12.233 26.474 8.150 -99.200 -91.000 TYR 91 0.840 8.279 22.743 29.687 -99.200 -91.000 TYR 100 0.840 5.557 28.765 4.037 -99.200 -91.000 TRP 102 1.040 5.123 34.335 1.163 -99.200 -91.000 TRP6 102 1.020 3.698 32.651 0.343 -99.200 -91.000 HIS 110 0.900 4.627 29.491 10.301 -99.200 -91.000 PHE 112 1.000 9.275 20.839 7.712 -99.200 -91.000 PHE 125 1.000 15.066 19.657 27.265 -99.200 -91.000 TYR 126 0.840 14.488 8.621 26.987 -99.200 -91.000 TYR 127 0.840 11.031 13.744 30.178 -99.200 -91.000 TYR 128 0.840 7.519 8.616 23.274 -99.200 -91.000 PHE 129 1.000 9.344 17.338 25.257 -99.200 -91.000 PHE 146 1.000 5.536 27.197 16.861 -99.200 -91.000