============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TRP 24 1.040 8.936 32.901 -7.534 -99.200 -91.000 TRP6 24 1.020 9.830 30.862 -6.767 -99.200 -91.000 PHE 31 1.000 1.901 35.343 -5.909 -99.200 -91.000 TYR 33 0.840 -1.748 25.844 -11.391 -99.200 -91.000 PHE 34 1.000 -1.770 28.767 -3.099 -99.200 -91.000 TRP 57 1.040 -0.988 32.678 9.637 -99.200 -91.000 TRP6 57 1.020 -3.161 32.521 8.737 -99.200 -91.000 PHE 58 1.000 2.487 34.513 11.886 -99.200 -91.000 HIS 87 0.900 -10.913 29.850 8.592 -99.200 -91.000 PHE 88 1.000 -11.128 24.404 12.361 -99.200 -91.000 TRP 113 1.040 -6.160 21.639 -2.733 -99.200 -91.000 TRP6 113 1.020 -4.856 21.300 -4.663 -99.200 -91.000 TYR 121 0.840 5.337 21.916 0.023 -99.200 -91.000 HIS 127 0.900 -1.041 10.408 5.106 -99.200 -91.000 HIS 130 0.900 -4.563 10.182 -5.659 -99.200 -91.000 PHE 134 1.000 -2.572 19.330 -8.757 -99.200 -91.000 PHE 142 1.000 14.300 33.692 -9.706 -99.200 -91.000 PHE 147 1.000 17.597 25.442 -1.107 -99.200 -91.000 PHE 148 1.000 8.658 19.815 -3.405 -99.200 -91.000 TYR 156 0.840 4.984 11.224 -5.172 -99.200 -91.000 TYR 162 0.840 -5.172 16.075 -12.810 -99.200 -91.000 TYR 177 0.840 4.691 30.456 -14.707 -99.200 -91.000 PHE 179 1.000 0.797 26.595 -14.301 -99.200 -91.000 TYR 182 0.840 6.349 15.330 -10.804 -99.200 -91.000