============================================================================= 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 8.372 7.278 18.313 -99.200 -91.000 TRP6 14 1.020 7.109 9.161 19.004 -99.200 -91.000 PHE 19 1.000 12.597 -4.232 2.870 -99.200 -91.000 TRP 37 1.040 22.970 11.246 14.010 -99.200 -91.000 TRP6 37 1.020 24.777 9.706 13.961 -99.200 -91.000 HIS 43 0.900 19.215 -8.116 18.973 -99.200 -91.000 TYR 47 0.840 23.725 -13.314 18.668 -99.200 -91.000 TRP 49 1.040 21.650 -16.852 16.185 -99.200 -91.000 TRP6 49 1.020 19.701 -15.650 16.762 -99.200 -91.000 PHE 53 1.000 22.275 -8.202 7.974 -99.200 -91.000 HIS 65 0.900 -0.799 1.442 10.201 -99.200 -91.000 TYR 70 0.840 7.166 2.537 -2.138 -99.200 -91.000 TYR 84 0.840 29.156 6.237 13.925 -99.200 -91.000 HIS 86 0.900 28.672 0.879 24.438 -99.200 -91.000 TYR 89 0.840 26.356 -6.417 20.610 -99.200 -91.000 TRP 91 1.040 29.900 -10.114 19.918 -99.200 -91.000 TRP6 91 1.020 30.967 -12.185 19.541 -99.200 -91.000 PHE 110 1.000 12.095 15.650 11.584 -99.200 -91.000 TYR 113 0.840 1.169 10.330 7.352 -99.200 -91.000 HIS 115 0.900 7.947 15.332 15.367 -99.200 -91.000 TYR 132 0.840 5.872 5.310 37.642 -99.200 -91.000 TRP 139 1.040 5.631 -2.923 10.782 -99.200 -91.000 TRP6 139 1.020 7.244 -1.226 10.993 -99.200 -91.000 PHE 177 1.000 13.651 -0.722 30.376 -99.200 -91.000 TYR 181 0.840 0.246 -6.135 31.903 -99.200 -91.000 PHE 200 1.000 9.178 0.101 27.992 -99.200 -91.000 PHE 206 1.000 7.351 14.783 35.810 -99.200 -91.000 TRP 210 1.040 4.305 10.121 23.053 -99.200 -91.000 TRP6 210 1.020 3.543 8.104 24.038 -99.200 -91.000 TYR 211 0.840 11.423 12.749 27.348 -99.200 -91.000 TRP 218 1.040 18.278 -9.989 26.861 -99.200 -91.000 TRP6 218 1.020 17.755 -11.622 28.481 -99.200 -91.000 TYR 228 0.840 8.388 -10.846 34.214 -99.200 -91.000 PHE 230 1.000 15.422 -9.582 31.071 -99.200 -91.000 TYR 231 0.840 11.575 -4.082 26.564 -99.200 -91.000 HIS 233 0.900 18.432 2.432 32.169 -99.200 -91.000 PHE 235 1.000 20.379 9.052 32.101 -99.200 -91.000 TRP 240 1.040 28.824 4.539 22.052 -99.200 -91.000 TRP6 240 1.020 26.930 3.967 20.749 -99.200 -91.000 PHE 248 1.000 32.652 9.091 14.541 -99.200 -91.000