============================================================================= 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. HIS 8 0.900 51.757 -7.885 -0.931 -99.200 -91.000 TYR 19 0.840 53.593 -1.005 16.741 -99.200 -91.000 PHE 25 1.000 34.554 3.850 27.541 -99.200 -91.000 HIS 27 0.900 30.173 1.752 18.458 -99.200 -91.000 HIS 34 0.900 43.564 2.805 14.331 -99.200 -91.000 TYR 36 0.840 48.327 6.514 12.028 -99.200 -91.000 TYR 38 0.840 59.333 8.480 14.120 -99.200 -91.000 PHE 43 1.000 45.769 2.629 9.269 -99.200 -91.000 PHE 51 1.000 35.162 -5.190 26.968 -99.200 -91.000 HIS 54 0.900 45.151 -2.965 28.685 -99.200 -91.000 TYR 65 0.840 55.142 -10.373 23.277 -99.200 -91.000 TYR 70 0.840 39.198 -12.993 21.213 -99.200 -91.000 HIS 71 0.900 32.767 -12.598 27.539 -99.200 -91.000 TRP 86 1.040 48.168 -10.484 16.745 -99.200 -91.000 TRP6 86 1.020 46.795 -10.188 14.855 -99.200 -91.000 PHE 93 1.000 46.300 -16.077 16.508 -99.200 -91.000 TYR 109 0.840 46.317 4.607 33.923 -99.200 -91.000 PHE 113 1.000 50.036 -7.225 27.354 -99.200 -91.000 PHE 121 1.000 59.716 -15.844 32.691 -99.200 -91.000 TYR 143 0.840 48.556 -17.028 34.446 -99.200 -91.000 TRP 154 1.040 46.300 -0.725 39.291 -99.200 -91.000 TRP6 154 1.020 44.883 -2.558 38.869 -99.200 -91.000 PHE 166 1.000 57.109 -8.477 38.394 -99.200 -91.000 PHE 196 1.000 52.236 6.487 47.295 -99.200 -91.000 PHE 204 1.000 48.710 12.082 38.434 -99.200 -91.000 HIS 215 0.900 63.438 10.115 39.172 -99.200 -91.000 PHE 216 1.000 56.876 5.618 40.757 -99.200 -91.000 TYR 219 0.840 45.557 12.050 42.538 -99.200 -91.000 TYR 220 0.840 47.120 17.080 46.846 -99.200 -91.000 TYR 224 0.840 56.258 11.447 47.306 -99.200 -91.000 PHE 228 1.000 64.893 0.265 39.528 -99.200 -91.000 TRP 239 1.040 62.417 16.006 43.750 -99.200 -91.000 TRP6 239 1.020 62.166 17.211 41.735 -99.200 -91.000 TRP 251 1.040 50.745 26.559 36.690 -99.200 -91.000 TRP6 251 1.020 50.444 25.839 34.468 -99.200 -91.000 TYR 256 0.840 43.400 9.291 31.587 -99.200 -91.000 HIS 262 0.900 67.108 12.431 26.664 -99.200 -91.000 TYR 269 0.840 61.134 15.504 28.322 -99.200 -91.000 PHE 271 1.000 51.326 15.051 28.663 -99.200 -91.000 HIS 273 0.900 45.657 20.052 35.554 -99.200 -91.000 HIS 281 0.900 42.381 12.539 39.825 -99.200 -91.000 PHE 283 1.000 40.219 19.251 34.752 -99.200 -91.000 TRP 289 1.040 55.205 23.060 33.641 -99.200 -91.000 TRP6 289 1.020 55.067 23.618 35.932 -99.200 -91.000 TYR 330 0.840 55.871 18.047 21.340 -99.200 -91.000 PHE 355 1.000 58.792 6.846 19.463 -99.200 -91.000 HIS 356 0.900 58.780 -2.524 15.729 -99.200 -91.000