============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 27 1.000 -37.609 -25.786 7.835 -99.200 -91.000 PHE 29 1.000 -39.133 -19.870 10.403 -99.200 -91.000 TYR 32 0.840 -35.380 -27.663 12.084 -99.200 -91.000 TRP 36 1.040 -30.434 -13.612 8.676 -99.200 -91.000 TRP6 36 1.020 -31.188 -13.556 6.438 -99.200 -91.000 TRP 47 1.040 -23.301 -17.355 12.856 -99.200 -91.000 TRP6 47 1.020 -22.889 -15.943 14.701 -99.200 -91.000 TYR 59 0.840 -26.984 -16.743 21.074 -99.200 -91.000 TYR 60 0.840 -27.861 -9.691 16.620 -99.200 -91.000 PHE 68 1.000 -25.848 -5.981 9.742 -99.200 -91.000 TYR 80 0.840 -39.540 -10.788 8.652 -99.200 -91.000 TYR 93 0.840 -25.293 -9.741 4.347 -99.200 -91.000 TYR 94 0.840 -25.173 -17.700 0.363 -99.200 -91.000 TYR 99 0.840 -26.871 -32.985 10.092 -99.200 -91.000 TYR 102 0.840 -28.625 -39.218 17.354 -99.200 -91.000 PHE 113 1.000 -25.040 -22.466 10.104 -99.200 -91.000 TRP 116 1.040 -26.012 -23.357 3.545 -99.200 -91.000 TRP6 116 1.020 -24.505 -21.710 4.277 -99.200 -91.000 PHE 135 1.000 -23.131 -0.693 -26.868 -99.200 -91.000 TYR 153 0.840 -23.324 -4.431 -15.228 -99.200 -91.000 PHE 154 1.000 -21.962 0.577 -8.498 -99.200 -91.000 TRP 162 1.040 -27.124 -15.778 -25.256 -99.200 -91.000 TRP6 162 1.020 -26.752 -14.474 -27.185 -99.200 -91.000 HIS 172 0.900 -18.550 -21.029 -21.914 -99.200 -91.000 PHE 174 1.000 -16.351 -14.749 -21.351 -99.200 -91.000 TYR 184 0.840 -19.016 -4.008 -10.834 -99.200 -91.000 TYR 202 0.840 -28.456 -18.183 -33.200 -99.200 -91.000 HIS 208 0.900 -28.468 -2.950 -13.641 -99.200 -91.000