============================================================================= 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 3 1.000 1.077 2.540 34.118 -99.200 -91.000 TRP 12 1.040 6.992 12.162 20.922 -99.200 -91.000 TRP6 12 1.020 8.095 12.900 18.966 -99.200 -91.000 PHE 16 1.000 10.352 18.506 26.614 -99.200 -91.000 PHE 29 1.000 27.948 1.078 27.132 -99.200 -91.000 TYR 42 0.840 19.070 18.797 24.126 -99.200 -91.000 TYR 56 0.840 10.114 3.310 50.272 -99.200 -91.000 PHE 68 1.000 21.858 8.915 29.328 -99.200 -91.000 PHE 72 1.000 21.640 12.636 25.463 -99.200 -91.000 TYR 77 0.840 13.137 17.244 35.402 -99.200 -91.000 TRP 87 1.040 2.740 10.264 33.118 -99.200 -91.000 TRP6 87 1.020 4.201 8.604 33.969 -99.200 -91.000 PHE 89 1.000 7.340 14.828 33.788 -99.200 -91.000 PHE 90 1.000 8.082 14.350 42.134 -99.200 -91.000 PHE 102 1.000 19.114 9.759 46.282 -99.200 -91.000 TYR 109 0.840 2.460 13.131 43.929 -99.200 -91.000 PHE 122 1.000 17.119 27.196 27.685 -99.200 -91.000 PHE 123 1.000 12.617 29.582 27.096 -99.200 -91.000