============================================================================= 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 20.029 15.826 22.188 -99.200 -91.000 TYR 7 0.840 9.286 4.125 23.685 -99.200 -91.000 PHE 8 1.000 12.520 2.535 15.754 -99.200 -91.000 PHE 9 1.000 5.826 0.223 20.152 -99.200 -91.000 PHE 22 1.000 4.460 -5.516 21.280 -99.200 -91.000 TYR 27 0.840 16.738 2.238 19.093 -99.200 -91.000 PHE 33 1.000 14.649 4.685 26.677 -99.200 -91.000 PHE 36 1.000 6.756 -7.255 26.625 -99.200 -91.000 TRP 51 1.040 21.076 6.279 29.590 -99.200 -91.000 TRP6 51 1.020 18.823 6.703 29.009 -99.200 -91.000 TYR 59 0.840 10.658 4.329 33.381 -99.200 -91.000 TRP 60 1.040 12.528 -0.131 35.801 -99.200 -91.000 TRP6 60 1.020 13.068 -0.225 33.491 -99.200 -91.000 HIS 70 0.900 2.164 0.698 23.403 -99.200 -91.000 HIS 74 0.900 1.211 -3.143 17.239 -99.200 -91.000 TYR 84 0.840 -10.198 -3.298 8.500 -99.200 -91.000 TYR 85 0.840 -4.408 -5.069 3.943 -99.200 -91.000 HIS 93 0.900 -0.377 -11.894 6.262 -99.200 -91.000 TYR 99 0.840 4.762 5.491 20.376 -99.200 -91.000 TRP 107 1.040 17.975 19.734 25.431 -99.200 -91.000 TRP6 107 1.020 18.220 18.641 27.518 -99.200 -91.000 PHE 109 1.000 6.495 18.728 19.099 -99.200 -91.000 TYR 113 0.840 9.040 11.165 14.939 -99.200 -91.000 HIS 114 0.900 1.114 5.942 15.595 -99.200 -91.000 TYR 116 0.840 -0.186 -0.224 12.347 -99.200 -91.000 TYR 118 0.840 -1.152 -6.531 7.006 -99.200 -91.000 TYR 123 0.840 -3.613 -0.194 7.490 -99.200 -91.000 TRP 133 1.040 -5.261 9.898 11.852 -99.200 -91.000 TRP6 133 1.020 -3.488 8.883 13.046 -99.200 -91.000 HIS 145 0.900 -13.322 6.680 6.343 -99.200 -91.000 TRP 147 1.040 -7.183 4.502 14.585 -99.200 -91.000 TRP6 147 1.020 -4.865 4.282 14.211 -99.200 -91.000 HIS 151 0.900 -12.437 14.102 17.808 -99.200 -91.000 TYR 159 0.840 3.884 9.665 23.928 -99.200 -91.000 TRP 167 1.040 8.124 11.069 31.179 -99.200 -91.000 TRP6 167 1.020 8.952 9.924 33.070 -99.200 -91.000 TYR 171 0.840 13.478 8.555 29.338 -99.200 -91.000 HIS 188 0.900 42.093 2.861 10.288 -99.200 -91.000 HIS 191 0.900 48.018 0.960 -1.405 -99.200 -91.000 HIS 192 0.900 44.656 -4.220 2.887 -99.200 -91.000 HIS 197 0.900 45.710 -4.318 -12.659 -99.200 -91.000 TRP 204 1.040 39.192 1.068 7.750 -99.200 -91.000 TRP6 204 1.020 37.634 -0.558 8.448 -99.200 -91.000 PHE 208 1.000 30.908 6.806 13.054 -99.200 -91.000 TYR 209 0.840 25.651 8.452 20.289 -99.200 -91.000 TRP 217 1.040 37.537 6.897 -0.697 -99.200 -91.000 TRP6 217 1.020 39.830 7.265 -0.265 -99.200 -91.000 PHE 241 1.000 25.766 3.850 16.033 -99.200 -91.000 TRP 244 1.040 34.522 -0.764 5.452 -99.200 -91.000 TRP6 244 1.020 34.303 -1.236 3.142 -99.200 -91.000 TYR 257 0.840 41.755 7.967 -6.426 -99.200 -91.000 HIS 260 0.900 37.449 15.699 1.121 -99.200 -91.000 HIS 263 0.900 30.363 12.029 14.194 -99.200 -91.000 TRP 274 1.040 49.026 5.421 0.888 -99.200 -91.000 TRP6 274 1.020 48.316 4.023 2.656 -99.200 -91.000