============================================================================= 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 3 0.900 12.354 -29.031 24.821 -99.200 -91.000 TYR 7 0.840 6.783 -17.447 34.135 -99.200 -91.000 PHE 8 1.000 13.278 -13.548 30.068 -99.200 -91.000 TYR 9 0.840 8.320 -11.617 37.680 -99.200 -91.000 PHE 22 1.000 5.644 -7.107 37.758 -99.200 -91.000 TYR 27 0.840 10.074 -14.910 25.819 -99.200 -91.000 PHE 33 1.000 4.269 -19.687 29.119 -99.200 -91.000 PHE 36 1.000 -0.024 -8.324 35.757 -99.200 -91.000 TRP 51 1.040 2.131 -23.472 22.884 -99.200 -91.000 TRP6 51 1.020 2.948 -23.094 25.069 -99.200 -91.000 TYR 59 0.840 -1.922 -21.199 33.773 -99.200 -91.000 TRP 60 1.040 -6.068 -18.267 31.498 -99.200 -91.000 TRP6 60 1.020 -3.894 -17.834 30.678 -99.200 -91.000 TYR 74 0.840 10.230 -7.887 42.030 -99.200 -91.000 TYR 84 0.840 18.584 -2.083 50.635 -99.200 -91.000 TYR 85 0.840 22.296 0.533 44.776 -99.200 -91.000 HIS 93 0.900 17.028 5.053 40.177 -99.200 -91.000 TYR 99 0.840 10.698 -16.400 38.103 -99.200 -91.000 HIS 113 0.900 19.599 -20.461 34.517 -99.200 -91.000 TYR 118 0.840 18.255 0.003 41.606 -99.200 -91.000 TYR 123 0.840 20.293 -5.694 44.427 -99.200 -91.000 TRP 133 1.040 20.201 -16.126 48.138 -99.200 -91.000 TRP6 133 1.020 18.560 -16.008 46.444 -99.200 -91.000 TRP 147 1.040 15.719 -12.035 49.389 -99.200 -91.000 TRP6 147 1.020 16.272 -11.800 47.105 -99.200 -91.000 TYR 159 0.840 8.711 -21.548 40.328 -99.200 -91.000 TRP 167 1.040 2.163 -25.918 36.418 -99.200 -91.000 TRP6 167 1.020 0.063 -25.839 35.336 -99.200 -91.000 TYR 171 0.840 3.216 -24.126 30.850 -99.200 -91.000 HIS 188 0.900 15.945 -15.853 -0.883 -99.200 -91.000 HIS 191 0.900 25.514 -11.032 -8.446 -99.200 -91.000 HIS 192 0.900 20.719 -7.629 -4.092 -99.200 -91.000 HIS 197 0.900 35.910 -2.566 -11.863 -99.200 -91.000 TRP 204 1.040 17.940 -12.956 1.876 -99.200 -91.000 TRP6 204 1.020 16.881 -11.496 3.409 -99.200 -91.000 PHE 208 1.000 15.988 -18.891 11.399 -99.200 -91.000 TYR 209 0.840 10.381 -22.180 17.908 -99.200 -91.000 TRP 217 1.040 27.973 -15.603 2.599 -99.200 -91.000 TRP6 217 1.020 27.413 -16.391 0.442 -99.200 -91.000 PHE 241 1.000 12.968 -16.448 16.689 -99.200 -91.000 TRP 244 1.040 20.020 -9.783 6.015 -99.200 -91.000 TRP6 244 1.020 22.051 -8.580 5.935 -99.200 -91.000 TYR 257 0.840 33.192 -15.445 -1.917 -99.200 -91.000 HIS 260 0.900 29.202 -24.199 3.431 -99.200 -91.000 HIS 263 0.900 16.642 -24.339 12.426 -99.200 -91.000 TRP 274 1.040 23.348 -15.277 -8.193 -99.200 -91.000 TRP6 274 1.020 24.836 -14.411 -9.811 -99.200 -91.000