============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 8.330 7.440 18.423 -99.200 -91.000 TRP6 14 1.020 7.019 9.297 19.088 -99.200 -91.000 PHE 19 1.000 12.825 -4.305 2.885 -99.200 -91.000 TRP 37 1.040 23.005 11.484 14.191 -99.200 -91.000 TRP6 37 1.020 24.805 9.956 14.232 -99.200 -91.000 HIS 43 0.900 19.294 -7.982 19.043 -99.200 -91.000 TYR 47 0.840 23.844 -13.127 18.763 -99.200 -91.000 TRP 49 1.040 21.956 -16.806 16.421 -99.200 -91.000 TRP6 49 1.020 19.977 -15.651 16.957 -99.200 -91.000 PHE 53 1.000 22.558 -8.132 8.232 -99.200 -91.000 HIS 65 0.900 -0.817 1.476 10.119 -99.200 -91.000 TYR 70 0.840 7.386 2.940 -2.160 -99.200 -91.000 TYR 84 0.840 29.149 6.285 13.757 -99.200 -91.000 HIS 86 0.900 28.917 0.862 24.467 -99.200 -91.000 TYR 89 0.840 26.408 -6.276 20.799 -99.200 -91.000 TRP 91 1.040 29.896 -10.011 20.071 -99.200 -91.000 TRP6 91 1.020 30.947 -12.105 19.736 -99.200 -91.000 PHE 110 1.000 12.026 15.816 11.687 -99.200 -91.000 TYR 113 0.840 1.064 10.251 7.453 -99.200 -91.000 HIS 115 0.900 7.845 15.426 15.495 -99.200 -91.000 TYR 132 0.840 5.759 5.686 37.486 -99.200 -91.000 TRP 139 1.040 5.480 -2.849 10.831 -99.200 -91.000 TRP6 139 1.020 6.907 -0.975 10.940 -99.200 -91.000 PHE 177 1.000 13.582 -0.691 30.584 -99.200 -91.000 TYR 181 0.840 0.128 -6.153 31.865 -99.200 -91.000 PHE 200 1.000 9.212 0.149 28.117 -99.200 -91.000 PHE 206 1.000 6.801 14.903 36.276 -99.200 -91.000 TRP 210 1.040 4.221 10.195 23.149 -99.200 -91.000 TRP6 210 1.020 3.469 8.187 24.144 -99.200 -91.000 TYR 211 0.840 11.253 12.834 27.483 -99.200 -91.000 TRP 218 1.040 18.204 -9.994 26.953 -99.200 -91.000 TRP6 218 1.020 17.710 -11.597 28.592 -99.200 -91.000 TYR 228 0.840 8.355 -10.620 34.388 -99.200 -91.000 PHE 230 1.000 15.390 -9.410 31.329 -99.200 -91.000 TYR 231 0.840 11.565 -3.956 26.649 -99.200 -91.000 HIS 233 0.900 18.362 2.605 32.311 -99.200 -91.000 PHE 235 1.000 20.222 9.198 32.282 -99.200 -91.000 TRP 240 1.040 28.734 4.779 22.400 -99.200 -91.000 TRP6 240 1.020 26.872 4.166 21.085 -99.200 -91.000 PHE 248 1.000 32.668 9.620 14.468 -99.200 -91.000