============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. HIS 12 0.900 50.229 -6.931 22.724 -99.200 -91.000 PHE 14 1.000 47.760 -14.956 16.890 -99.200 -91.000 PHE 16 1.000 49.445 -10.592 24.924 -99.200 -91.000 PHE 47 1.000 69.755 -16.277 21.742 -99.200 -91.000 TYR 64 0.840 52.428 -12.294 28.454 -99.200 -91.000 TYR 66 0.840 47.100 -19.336 18.906 -99.200 -91.000 PHE 80 1.000 61.626 -27.875 19.590 -99.200 -91.000 PHE 82 1.000 61.458 -22.742 23.778 -99.200 -91.000 TYR 85 0.840 66.754 -13.670 16.970 -99.200 -91.000 TYR 92 0.840 54.229 -9.749 11.179 -99.200 -91.000 TRP 100 1.040 62.828 -12.112 0.346 -99.200 -91.000 TRP6 100 1.020 60.489 -11.877 0.563 -99.200 -91.000 HIS 113 0.900 68.389 -24.006 14.892 -99.200 -91.000 PHE 119 1.000 57.021 -15.467 8.842 -99.200 -91.000 PHE 131 1.000 56.017 -19.203 5.441 -99.200 -91.000 PHE 135 1.000 50.328 -20.745 14.065 -99.200 -91.000 PHE 136 1.000 43.813 -17.651 13.954 -99.200 -91.000 HIS 155 0.900 37.105 -5.740 -4.860 -99.200 -91.000 HIS 160 0.900 40.362 0.171 -5.184 -99.200 -91.000 HIS 161 0.900 39.911 5.803 -8.299 -99.200 -91.000 PHE 166 1.000 38.942 7.814 3.443 -99.200 -91.000 PHE 168 1.000 43.612 3.944 1.411 -99.200 -91.000 TRP 172 1.040 55.858 1.732 6.768 -99.200 -91.000 TRP6 172 1.020 57.087 2.911 8.410 -99.200 -91.000 TYR 179 0.840 45.390 -8.757 -1.490 -99.200 -91.000 PHE 184 1.000 42.978 -4.271 -5.219 -99.200 -91.000 HIS 188 0.900 52.441 -0.320 -1.969 -99.200 -91.000 HIS 190 0.900 45.681 6.657 -3.839 -99.200 -91.000 HIS 194 0.900 48.569 9.337 4.082 -99.200 -91.000 HIS 201 0.900 54.549 2.617 16.160 -99.200 -91.000 PHE 216 1.000 46.516 -0.351 10.968 -99.200 -91.000 TYR 225 0.840 44.426 -8.622 22.119 -99.200 -91.000 PHE 242 1.000 40.799 -6.877 2.402 -99.200 -91.000 TYR 247 0.840 48.382 -15.308 11.651 -99.200 -91.000 PHE 264 1.000 54.429 -34.159 17.192 -99.200 -91.000 TYR 268 0.840 50.351 -29.886 18.841 -99.200 -91.000 PHE 273 1.000 48.005 -27.162 22.637 -99.200 -91.000 HIS 278 0.900 39.477 -18.345 19.097 -99.200 -91.000 TRP 281 1.040 47.150 -17.556 24.814 -99.200 -91.000 TRP6 281 1.020 48.214 -16.186 26.439 -99.200 -91.000 TYR 282 0.840 42.078 -13.646 19.116 -99.200 -91.000