============================================================================= 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 8.157 6.278 18.597 -99.200 -91.000 TRP6 14 1.020 6.984 8.179 19.255 -99.200 -91.000 PHE 19 1.000 12.718 -5.354 3.202 -99.200 -91.000 TRP 37 1.040 22.752 10.266 14.329 -99.200 -91.000 TRP6 37 1.020 24.568 8.801 14.246 -99.200 -91.000 HIS 43 0.900 19.266 -9.387 19.296 -99.200 -91.000 TYR 47 0.840 23.611 -14.204 18.748 -99.200 -91.000 TRP 49 1.040 22.262 -18.575 16.287 -99.200 -91.000 TRP6 49 1.020 20.328 -17.433 16.868 -99.200 -91.000 PHE 53 1.000 22.524 -9.119 8.404 -99.200 -91.000 HIS 65 0.900 -1.163 0.386 10.355 -99.200 -91.000 TYR 70 0.840 7.518 1.645 -1.797 -99.200 -91.000 TYR 84 0.840 29.026 5.073 14.180 -99.200 -91.000 HIS 86 0.900 28.841 0.103 24.693 -99.200 -91.000 TYR 89 0.840 26.389 -7.409 20.912 -99.200 -91.000 TRP 91 1.040 29.788 -11.151 20.393 -99.200 -91.000 TRP6 91 1.020 30.931 -13.181 20.069 -99.200 -91.000 PHE 110 1.000 11.989 14.658 11.721 -99.200 -91.000 TYR 113 0.840 1.053 9.182 7.589 -99.200 -91.000 HIS 115 0.900 7.804 14.497 15.405 -99.200 -91.000 TYR 132 0.840 5.663 4.340 37.831 -99.200 -91.000 TRP 139 1.040 5.245 -4.010 11.234 -99.200 -91.000 TRP6 139 1.020 6.880 -2.339 11.218 -99.200 -91.000 PHE 177 1.000 13.603 -1.523 30.607 -99.200 -91.000 TYR 181 0.840 0.323 -7.253 32.179 -99.200 -91.000 PHE 200 1.000 9.206 -0.759 28.241 -99.200 -91.000 PHE 206 1.000 6.861 14.116 35.782 -99.200 -91.000 TRP 210 1.040 4.112 9.181 23.343 -99.200 -91.000 TRP6 210 1.020 3.348 7.189 24.313 -99.200 -91.000 TYR 211 0.840 11.104 11.897 27.596 -99.200 -91.000 TRP 218 1.040 18.200 -10.864 26.971 -99.200 -91.000 TRP6 218 1.020 17.560 -12.361 28.655 -99.200 -91.000 TYR 228 0.840 8.540 -11.841 34.617 -99.200 -91.000 PHE 230 1.000 15.217 -10.456 31.434 -99.200 -91.000 TYR 231 0.840 11.544 -4.895 26.900 -99.200 -91.000 HIS 233 0.900 18.352 1.697 32.458 -99.200 -91.000 PHE 235 1.000 20.069 8.410 32.312 -99.200 -91.000 TRP 240 1.040 28.670 3.886 22.569 -99.200 -91.000 TRP6 240 1.020 26.929 3.223 21.157 -99.200 -91.000 PHE 248 1.000 32.389 8.488 15.132 -99.200 -91.000