============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. PHE 2 1.000 36.233 12.340 13.767 -99.200 -91.000 PHE 13 1.000 15.748 25.275 -10.816 -99.200 -91.000 TYR 23 0.840 10.622 11.175 -18.317 -99.200 -91.000 TYR 42 0.840 1.738 -9.334 -5.172 -99.200 -91.000 TYR 52 0.840 19.033 -9.358 8.056 -99.200 -91.000 PHE 61 1.000 17.012 -6.892 -9.226 -99.200 -91.000 PHE 70 1.000 24.276 -11.328 -20.034 -99.200 -91.000 PHE 100 1.000 35.090 -10.371 -8.623 -99.200 -91.000 TRP 111 1.040 42.651 1.810 -19.720 -99.200 -91.000 TRP6 111 1.020 43.945 3.558 -20.678 -99.200 -91.000 TRP 117 1.040 27.532 9.550 -12.991 -99.200 -91.000 TRP6 117 1.020 27.769 7.673 -11.562 -99.200 -91.000 HIS 120 0.900 31.428 5.722 -14.890 -99.200 -91.000 PHE 124 1.000 35.260 2.031 -11.896 -99.200 -91.000 TYR 134 0.840 37.119 4.720 -23.391 -99.200 -91.000 TYR 136 0.840 32.275 7.819 -26.236 -99.200 -91.000 TYR 137 0.840 31.679 16.051 -27.695 -99.200 -91.000 HIS 142 0.900 28.144 19.155 -33.000 -99.200 -91.000 PHE 146 1.000 35.250 2.748 -33.515 -99.200 -91.000 PHE 164 1.000 34.070 -0.925 -23.915 -99.200 -91.000 HIS 165 0.900 29.102 5.919 -20.045 -99.200 -91.000 HIS 169 0.900 29.512 8.725 -23.214 -99.200 -91.000 TRP 181 1.040 27.837 -0.867 -29.082 -99.200 -91.000 TRP6 181 1.020 28.988 -0.452 -27.072 -99.200 -91.000 TRP 193 1.040 41.674 -3.698 -23.870 -99.200 -91.000 TRP6 193 1.020 40.424 -2.608 -25.582 -99.200 -91.000 PHE 197 1.000 29.439 -3.538 -22.589 -99.200 -91.000 PHE 199 1.000 22.188 -2.037 -20.918 -99.200 -91.000 TYR 201 0.840 21.213 6.857 -18.196 -99.200 -91.000 PHE 204 1.000 15.046 6.263 -19.862 -99.200 -91.000 PHE 218 1.000 32.715 -5.149 -26.010 -99.200 -91.000 HIS 222 0.900 35.084 -9.647 -24.689 -99.200 -91.000 TYR 231 0.840 16.674 -3.290 -13.250 -99.200 -91.000 PHE 234 1.000 11.491 -1.557 -13.779 -99.200 -91.000 TYR 237 0.840 14.862 8.657 -11.025 -99.200 -91.000 PHE 258 1.000 27.259 -13.871 -7.499 -99.200 -91.000 TYR 269 0.840 25.309 -3.805 -0.393 -99.200 -91.000 HIS 275 0.900 8.957 -0.814 -1.551 -99.200 -91.000 TRP 293 1.040 9.112 -0.887 -16.658 -99.200 -91.000 TRP6 293 1.020 10.438 -2.414 -17.893 -99.200 -91.000 PHE 311 1.000 17.883 22.376 -27.247 -99.200 -91.000 PHE 324 1.000 22.239 24.494 -31.376 -99.200 -91.000 PHE 326 1.000 24.778 19.091 -31.752 -99.200 -91.000 PHE 334 1.000 21.999 13.116 -18.350 -99.200 -91.000 PHE 336 1.000 29.576 17.164 -23.454 -99.200 -91.000 PHE 351 1.000 19.361 35.323 -21.157 -99.200 -91.000 TYR 354 0.840 20.281 27.083 -11.929 -99.200 -91.000