============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. TRP 19 1.040 17.154 -9.858 21.310 -99.200 -91.000 TRP6 19 1.020 19.063 -8.669 20.583 -99.200 -91.000 TYR 38 0.840 15.430 -3.451 37.150 -99.200 -91.000 HIS 40 0.900 11.098 1.261 30.827 -99.200 -91.000 HIS 45 0.900 4.609 -11.766 18.356 -99.200 -91.000 TYR 47 0.840 12.793 -8.179 22.194 -99.200 -91.000 PHE 72 1.000 5.995 3.899 30.380 -99.200 -91.000 TRP 78 1.040 9.152 -8.828 13.296 -99.200 -91.000 TRP6 78 1.020 11.216 -7.895 13.901 -99.200 -91.000 TYR 81 0.840 2.534 -9.438 13.058 -99.200 -91.000 HIS 82 0.900 6.434 -1.746 9.814 -99.200 -91.000 TYR 102 0.840 -2.885 0.349 31.011 -99.200 -91.000 TYR 106 0.840 2.300 -2.243 19.801 -99.200 -91.000 HIS 109 0.900 11.356 -4.525 17.770 -99.200 -91.000 TRP 110 1.040 14.036 -3.376 13.989 -99.200 -91.000 TRP6 110 1.020 16.278 -2.661 13.849 -99.200 -91.000 PHE 114 1.000 11.753 -7.122 7.771 -99.200 -91.000 PHE 120 1.000 9.030 -13.815 14.874 -99.200 -91.000 PHE 121 1.000 14.658 -11.014 11.219 -99.200 -91.000 TRP 140 1.040 2.259 8.224 13.931 -99.200 -91.000 TRP6 140 1.020 3.607 7.301 15.636 -99.200 -91.000 PHE 160 1.000 10.501 4.935 12.550 -99.200 -91.000 HIS 162 0.900 18.093 13.902 10.333 -99.200 -91.000 TYR 176 0.840 -3.506 10.551 19.699 -99.200 -91.000 HIS 186 0.900 27.101 1.057 22.091 -99.200 -91.000 TYR 188 0.840 33.440 0.962 22.919 -99.200 -91.000 TYR 197 0.840 14.963 15.794 14.239 -99.200 -91.000 TYR 208 0.840 18.615 -0.747 20.179 -99.200 -91.000 TRP 218 1.040 24.829 -9.509 15.659 -99.200 -91.000 TRP6 218 1.020 22.533 -9.466 16.105 -99.200 -91.000 HIS 239 0.900 32.096 8.433 40.122 -99.200 -91.000 PHE 250 1.000 27.685 7.981 28.344 -99.200 -91.000 PHE 272 1.000 15.727 -0.021 40.674 -99.200 -91.000 PHE 275 1.000 17.560 5.299 39.815 -99.200 -91.000 PHE 277 1.000 27.196 6.030 39.855 -99.200 -91.000 TYR 290 0.840 36.356 6.724 26.790 -99.200 -91.000 TRP 294 1.040 31.271 -1.921 16.885 -99.200 -91.000 TRP6 294 1.020 30.864 -3.049 18.903 -99.200 -91.000 HIS 305 0.900 12.171 -2.355 3.945 -99.200 -91.000 TYR 308 0.840 20.230 -0.385 6.665 -99.200 -91.000 PHE 310 1.000 20.391 1.456 11.922 -99.200 -91.000 HIS 311 0.900 21.836 2.373 3.277 -99.200 -91.000 PHE 314 1.000 21.224 13.931 12.156 -99.200 -91.000