============================================================================= 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 8.440 6.210 18.500 -99.200 -91.000 TRP6 14 1.020 7.185 8.048 19.273 -99.200 -91.000 PHE 19 1.000 12.647 -5.432 3.137 -99.200 -91.000 TRP 37 1.040 22.891 10.227 14.137 -99.200 -91.000 TRP6 37 1.020 24.729 8.785 14.026 -99.200 -91.000 HIS 43 0.900 19.531 -9.185 19.569 -99.200 -91.000 TYR 47 0.840 23.970 -14.285 18.531 -99.200 -91.000 TRP 49 1.040 22.448 -18.366 16.124 -99.200 -91.000 TRP6 49 1.020 20.255 -17.581 16.152 -99.200 -91.000 PHE 53 1.000 22.424 -9.467 8.560 -99.200 -91.000 HIS 65 0.900 -0.843 0.573 10.563 -99.200 -91.000 TYR 70 0.840 7.537 1.448 -1.921 -99.200 -91.000 TYR 84 0.840 29.223 5.009 13.802 -99.200 -91.000 HIS 86 0.900 29.036 0.023 24.562 -99.200 -91.000 TYR 89 0.840 26.564 -7.438 20.749 -99.200 -91.000 TRP 91 1.040 30.037 -11.298 20.254 -99.200 -91.000 TRP6 91 1.020 30.964 -13.460 20.006 -99.200 -91.000 PHE 110 1.000 12.158 14.606 11.700 -99.200 -91.000 TYR 113 0.840 1.143 9.144 7.649 -99.200 -91.000 HIS 115 0.900 7.962 14.323 15.835 -99.200 -91.000 TYR 132 0.840 5.880 4.421 37.987 -99.200 -91.000 TRP 139 1.040 5.243 -3.892 11.232 -99.200 -91.000 TRP6 139 1.020 6.865 -2.184 11.259 -99.200 -91.000 PHE 177 1.000 13.820 -1.498 30.788 -99.200 -91.000 TYR 181 0.840 0.483 -7.124 32.155 -99.200 -91.000 PHE 200 1.000 9.348 -0.709 28.349 -99.200 -91.000 PHE 206 1.000 6.961 14.082 35.938 -99.200 -91.000 TRP 210 1.040 4.253 9.204 23.418 -99.200 -91.000 TRP6 210 1.020 3.531 7.203 24.403 -99.200 -91.000 TYR 211 0.840 11.305 11.919 27.647 -99.200 -91.000 TRP 218 1.040 18.403 -10.949 27.009 -99.200 -91.000 TRP6 218 1.020 17.700 -12.439 28.679 -99.200 -91.000 TYR 228 0.840 8.749 -11.752 34.694 -99.200 -91.000 PHE 230 1.000 15.488 -10.298 31.570 -99.200 -91.000 TYR 231 0.840 11.779 -4.798 26.997 -99.200 -91.000 HIS 233 0.900 18.503 1.741 32.496 -99.200 -91.000 PHE 235 1.000 20.301 8.365 32.292 -99.200 -91.000 TRP 240 1.040 28.805 3.838 22.424 -99.200 -91.000 TRP6 240 1.020 27.156 3.117 20.929 -99.200 -91.000 PHE 248 1.000 32.651 8.403 14.938 -99.200 -91.000