============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. HIS 2 0.900 -12.621 0.563 29.436 -99.200 -91.000 HIS 4 0.900 -11.417 -0.235 36.688 -99.200 -91.000 HIS 20 0.900 13.126 -11.881 39.947 -99.200 -91.000 PHE 57 1.000 15.786 -31.622 69.886 -99.200 -91.000 TYR 58 0.840 12.007 -33.299 61.897 -99.200 -91.000 PHE 79 1.000 0.136 -26.480 60.887 -99.200 -91.000 HIS 80 0.900 -1.287 -20.131 62.983 -99.200 -91.000 TYR 84 0.840 2.375 -16.788 65.030 -99.200 -91.000 PHE 93 1.000 11.733 -22.840 65.761 -99.200 -91.000 TYR 137 0.840 -0.572 -16.816 58.646 -99.200 -91.000 PHE 144 1.000 8.089 -18.748 50.691 -99.200 -91.000 TRP 147 1.040 -4.820 -23.164 47.576 -99.200 -91.000 TRP6 147 1.020 -6.446 -22.036 48.875 -99.200 -91.000 HIS 156 0.900 -14.537 -42.595 32.841 -99.200 -91.000 TYR 173 0.840 -2.560 -19.316 47.192 -99.200 -91.000 HIS 196 0.900 -0.397 -41.973 35.190 -99.200 -91.000 TYR 203 0.840 -3.636 -34.707 25.940 -99.200 -91.000 TYR 213 0.840 1.056 -20.122 34.542 -99.200 -91.000 HIS 219 0.900 -9.985 -15.072 39.421 -99.200 -91.000 HIS 220 0.900 -8.098 -8.393 36.071 -99.200 -91.000 TYR 222 0.840 4.004 -8.104 39.093 -99.200 -91.000 HIS 237 0.900 4.541 -43.430 42.410 -99.200 -91.000 TYR 243 0.840 8.608 -43.899 30.013 -99.200 -91.000 HIS 245 0.900 17.239 -40.753 36.619 -99.200 -91.000 PHE 269 1.000 10.341 -29.000 38.117 -99.200 -91.000 TRP 295 1.040 9.629 -20.293 32.726 -99.200 -91.000 TRP6 295 1.020 10.072 -22.405 31.746 -99.200 -91.000 PHE 299 1.000 16.386 -27.277 46.583 -99.200 -91.000 TYR 301 0.840 13.170 -31.822 45.726 -99.200 -91.000 TRP 313 1.040 15.572 -36.210 66.604 -99.200 -91.000 TRP6 313 1.020 13.247 -35.828 66.373 -99.200 -91.000 TYR 327 0.840 18.208 -29.376 56.061 -99.200 -91.000 TYR 342 0.840 23.682 -35.057 43.245 -99.200 -91.000 HIS 348 0.900 11.199 -31.945 15.976 -99.200 -91.000 TYR 350 0.840 10.198 -36.493 24.814 -99.200 -91.000