============================================================================= 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. TRP 10 1.040 -0.644 2.224 -0.270 -99.200 -91.000 TRP6 10 1.020 -0.091 3.566 1.602 -99.200 -91.000 TYR 13 0.840 9.193 4.361 -8.609 -99.200 -91.000 TRP 30 1.040 7.040 8.163 -5.287 -99.200 -91.000 TRP6 30 1.020 8.444 9.045 -6.978 -99.200 -91.000 TYR 31 0.840 4.665 3.180 1.028 -99.200 -91.000 PHE 44 1.000 -4.006 0.917 7.345 -99.200 -91.000 PHE 60 1.000 1.855 10.217 12.741 -99.200 -91.000 TRP 73 1.040 -3.701 9.659 1.299 -99.200 -91.000 TRP6 73 1.020 -2.915 8.804 3.350 -99.200 -91.000 PHE 76 1.000 -3.749 14.276 5.705 -99.200 -91.000 TYR 80 0.840 -7.622 7.576 20.195 -99.200 -91.000 TRP 87 1.040 -9.073 1.907 13.483 -99.200 -91.000 TRP6 87 1.020 -6.775 2.283 13.887 -99.200 -91.000 TYR 93 0.840 -4.569 16.715 10.061 -99.200 -91.000 PHE 109 1.000 -2.612 14.075 20.717 -99.200 -91.000 TYR 117 0.840 -2.691 -1.556 17.049 -99.200 -91.000 TRP 129 1.040 1.941 5.914 -8.443 -99.200 -91.000 TRP6 129 1.020 4.048 5.331 -9.334 -99.200 -91.000 PHE 132 1.000 2.566 8.557 3.364 -99.200 -91.000 PHE 135 1.000 4.013 8.050 8.991 -99.200 -91.000