============================================================================= 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 22 0.900 -7.550 10.917 11.231 -99.200 -91.000 PHE 24 1.000 -0.761 12.438 19.244 -99.200 -91.000 PHE 29 1.000 0.871 16.386 11.436 -99.200 -91.000 PHE 46 1.000 -1.626 13.279 1.951 -99.200 -91.000 TYR 59 0.840 1.349 5.757 20.584 -99.200 -91.000 TRP 71 1.040 2.413 5.667 33.981 -99.200 -91.000 TRP6 71 1.020 2.571 4.375 35.956 -99.200 -91.000 HIS 93 0.900 -6.408 21.802 47.673 -99.200 -91.000 TYR 95 0.840 -6.892 13.994 38.883 -99.200 -91.000 TYR 96 0.840 -11.145 20.095 37.303 -99.200 -91.000 PHE 99 1.000 -3.666 13.862 28.654 -99.200 -91.000 TYR 101 0.840 -1.380 19.033 19.881 -99.200 -91.000 HIS 103 0.900 -11.784 14.032 22.991 -99.200 -91.000 PHE 124 1.000 2.026 21.175 38.864 -99.200 -91.000 TYR 127 0.840 5.379 18.844 28.303 -99.200 -91.000 TYR 130 0.840 7.598 28.289 28.731 -99.200 -91.000 TYR 143 0.840 -5.204 35.014 24.542 -99.200 -91.000 TYR 145 0.840 -12.827 27.509 27.140 -99.200 -91.000 TYR 146 0.840 -11.270 31.317 30.259 -99.200 -91.000 TRP 157 1.040 -8.009 30.466 34.616 -99.200 -91.000 TRP6 157 1.020 -7.258 28.263 34.204 -99.200 -91.000 TRP 163 1.040 7.184 21.708 37.256 -99.200 -91.000 TRP6 163 1.020 7.350 19.409 37.797 -99.200 -91.000 HIS 166 0.900 9.691 20.582 44.149 -99.200 -91.000 HIS 167 0.900 12.289 20.437 47.787 -99.200 -91.000 PHE 173 1.000 13.905 13.416 36.618 -99.200 -91.000 HIS 176 0.900 12.232 6.418 39.804 -99.200 -91.000 HIS 183 0.900 17.791 -3.075 39.094 -99.200 -91.000 PHE 184 1.000 23.966 -0.281 34.136 -99.200 -91.000 PHE 196 1.000 21.445 13.029 33.652 -99.200 -91.000 HIS 199 0.900 10.704 15.851 21.163 -99.200 -91.000 TYR 212 0.840 13.296 21.047 26.126 -99.200 -91.000 TYR 229 0.840 29.131 16.874 40.138 -99.200 -91.000 TYR 233 0.840 26.922 15.286 33.551 -99.200 -91.000 TRP 237 1.040 20.062 17.751 23.394 -99.200 -91.000 TRP6 237 1.020 18.799 18.981 24.972 -99.200 -91.000 TRP 246 1.040 15.040 18.474 14.298 -99.200 -91.000 TRP6 246 1.020 13.230 17.928 15.717 -99.200 -91.000 PHE 273 1.000 6.048 13.220 29.217 -99.200 -91.000 HIS 277 0.900 7.046 10.456 26.901 -99.200 -91.000 TYR 282 0.840 8.757 2.515 18.439 -99.200 -91.000 TYR 288 0.840 17.044 5.867 20.367 -99.200 -91.000 PHE 313 1.000 6.169 13.467 39.383 -99.200 -91.000 HIS 322 0.900 1.536 24.180 51.357 -99.200 -91.000 HIS 324 0.900 1.116 29.042 41.614 -99.200 -91.000 PHE 353 1.000 -6.128 33.910 30.615 -99.200 -91.000 PHE 354 1.000 -1.981 31.632 32.377 -99.200 -91.000