============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 3 0.900 -6.477 7.409 43.429 -99.200 -91.000 TYR 7 0.840 -2.706 -7.806 41.696 -99.200 -91.000 PHE 8 1.000 -9.309 -6.972 36.101 -99.200 -91.000 PHE 9 1.000 -5.124 -13.140 39.618 -99.200 -91.000 PHE 22 1.000 -2.095 -17.529 36.127 -99.200 -91.000 TYR 27 0.840 -5.500 -3.282 34.254 -99.200 -91.000 PHE 33 1.000 0.372 -3.030 39.888 -99.200 -91.000 PHE 36 1.000 3.510 -16.158 35.343 -99.200 -91.000 TRP 51 1.040 3.617 3.694 38.425 -99.200 -91.000 TRP6 51 1.020 2.495 1.968 39.581 -99.200 -91.000 TYR 59 0.840 6.356 -5.923 44.006 -99.200 -91.000 TRP 60 1.040 10.370 -6.868 40.746 -99.200 -91.000 TRP6 60 1.020 8.349 -6.550 39.569 -99.200 -91.000 HIS 70 0.900 -3.017 -15.588 43.070 -99.200 -91.000 HIS 74 0.900 -7.150 -18.993 38.313 -99.200 -91.000 TYR 84 0.840 -17.010 -29.061 42.502 -99.200 -91.000 TYR 85 0.840 -20.410 -26.525 36.599 -99.200 -91.000 HIS 93 0.900 -14.997 -27.027 29.901 -99.200 -91.000 TYR 99 0.840 -6.916 -11.064 44.201 -99.200 -91.000 TRP 107 1.040 -4.714 8.170 48.926 -99.200 -91.000 TRP6 107 1.020 -2.356 8.182 48.797 -99.200 -91.000 PHE 109 1.000 -12.248 -1.940 52.668 -99.200 -91.000 TYR 113 0.840 -13.259 -4.683 44.011 -99.200 -91.000 HIS 114 0.900 -11.838 -14.111 45.239 -99.200 -91.000 TYR 116 0.840 -12.520 -19.134 40.531 -99.200 -91.000 TYR 118 0.840 -16.115 -24.349 34.565 -99.200 -91.000 TYR 123 0.840 -17.976 -22.347 40.771 -99.200 -91.000 TRP 133 1.040 -17.743 -17.393 50.815 -99.200 -91.000 TRP6 133 1.020 -15.953 -16.542 49.531 -99.200 -91.000 HIS 145 0.900 -22.504 -25.970 52.059 -99.200 -91.000 TRP 147 1.040 -13.509 -21.714 48.750 -99.200 -91.000 TRP6 147 1.020 -13.721 -20.079 47.072 -99.200 -91.000 HIS 151 0.900 -11.409 -21.324 59.846 -99.200 -91.000 TYR 159 0.840 -4.959 -8.925 49.038 -99.200 -91.000 TRP 167 1.040 1.102 -5.092 48.686 -99.200 -91.000 TRP6 167 1.020 3.416 -4.708 48.421 -99.200 -91.000 TYR 171 0.840 1.727 -1.308 44.235 -99.200 -91.000 HIS 188 0.900 -11.484 16.579 17.097 -99.200 -91.000 HIS 191 0.900 -21.062 18.903 8.425 -99.200 -91.000 HIS 192 0.900 -17.259 13.145 9.557 -99.200 -91.000 HIS 197 0.900 -31.891 15.591 2.374 -99.200 -91.000 TRP 204 1.040 -13.965 12.984 16.710 -99.200 -91.000 TRP6 204 1.020 -13.077 10.838 16.296 -99.200 -91.000 PHE 208 1.000 -11.362 9.830 27.538 -99.200 -91.000 TYR 209 0.840 -5.221 7.378 34.051 -99.200 -91.000 TRP 217 1.040 -24.307 14.118 20.285 -99.200 -91.000 TRP6 217 1.020 -23.440 16.043 19.229 -99.200 -91.000 PHE 241 1.000 -8.249 4.222 29.117 -99.200 -91.000 TRP 244 1.040 -16.249 7.926 17.471 -99.200 -91.000 TRP6 244 1.020 -18.388 7.291 16.670 -99.200 -91.000 TYR 257 0.840 -29.120 18.709 16.472 -99.200 -91.000 HIS 260 0.900 -24.259 19.864 26.729 -99.200 -91.000 HIS 263 0.900 -11.663 12.743 32.325 -99.200 -91.000 TRP 274 1.040 -20.275 22.473 12.036 -99.200 -91.000 TRP6 274 1.020 -18.196 21.383 11.801 -99.200 -91.000