============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 4 1.000 5.038 55.238 16.740 -99.200 -91.000 TYR 15 0.840 2.410 36.346 10.039 -99.200 -91.000 TYR 19 0.840 7.944 51.500 5.919 -99.200 -91.000 HIS 52 0.900 16.437 35.499 27.109 -99.200 -91.000 HIS 63 0.900 -7.602 46.131 15.823 -99.200 -91.000 TYR 69 0.840 0.013 50.776 11.696 -99.200 -91.000 PHE 72 1.000 8.363 43.590 17.195 -99.200 -91.000 PHE 74 1.000 16.699 50.656 14.318 -99.200 -91.000 HIS 76 0.900 21.850 51.635 14.877 -99.200 -91.000 PHE 82 1.000 28.616 40.809 11.797 -99.200 -91.000 TYR 99 0.840 26.797 37.590 16.952 -99.200 -91.000 PHE 101 1.000 26.017 30.322 26.210 -99.200 -91.000 PHE 109 1.000 11.734 34.273 28.147 -99.200 -91.000 HIS 111 0.900 11.987 26.568 21.485 -99.200 -91.000 HIS 113 0.900 7.833 31.679 29.551 -99.200 -91.000 HIS 117 0.900 11.053 33.465 14.645 -99.200 -91.000 PHE 138 1.000 10.715 32.902 19.514 -99.200 -91.000 PHE 144 1.000 -2.522 37.653 12.125 -99.200 -91.000 TYR 151 0.840 4.941 43.744 1.451 -99.200 -91.000 HIS 153 0.900 1.719 38.527 -4.747 -99.200 -91.000 TRP 159 1.040 17.176 29.131 0.619 -99.200 -91.000 TRP6 159 1.020 18.891 30.728 0.263 -99.200 -91.000 TYR 160 0.840 17.906 30.066 6.646 -99.200 -91.000 TYR 171 0.840 -2.101 19.104 14.955 -99.200 -91.000 TYR 172 0.840 4.851 23.586 12.750 -99.200 -91.000 TRP 179 1.040 16.223 21.906 10.032 -99.200 -91.000 TRP6 179 1.020 17.012 19.717 9.639 -99.200 -91.000 PHE 185 1.000 27.363 26.224 14.857 -99.200 -91.000 PHE 195 1.000 20.536 21.113 4.433 -99.200 -91.000 PHE 205 1.000 13.499 14.983 -3.865 -99.200 -91.000 PHE 208 1.000 14.609 13.656 1.910 -99.200 -91.000 TRP 219 1.040 11.314 11.350 11.597 -99.200 -91.000 TRP6 219 1.020 11.287 13.167 10.085 -99.200 -91.000 TYR 228 0.840 8.370 8.197 2.864 -99.200 -91.000 PHE 232 1.000 9.888 11.945 -0.723 -99.200 -91.000 TRP 235 1.040 20.314 11.478 -3.485 -99.200 -91.000 TRP6 235 1.020 18.231 12.595 -3.545 -99.200 -91.000 PHE 240 1.000 26.780 17.097 10.193 -99.200 -91.000 HIS 260 0.900 20.495 13.499 15.824 -99.200 -91.000 TYR 261 0.840 16.767 13.303 7.918 -99.200 -91.000 HIS 275 0.900 28.130 19.853 22.148 -99.200 -91.000 PHE 277 1.000 30.965 25.241 19.155 -99.200 -91.000 PHE 278 1.000 27.137 26.582 22.903 -99.200 -91.000 HIS 287 0.900 35.179 47.158 12.062 -99.200 -91.000