============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 18 1.000 28.065 -32.280 -36.045 -99.200 -91.000 HIS 22 0.900 21.905 -37.842 -49.400 -99.200 -91.000 HIS 24 0.900 22.116 -33.880 -53.204 -99.200 -91.000 PHE 28 1.000 23.643 -28.710 -63.446 -99.200 -91.000 TRP 36 1.040 15.913 -25.277 -74.256 -99.200 -91.000 TRP6 36 1.020 15.429 -27.591 -74.149 -99.200 -91.000 HIS 38 0.900 15.939 -20.160 -71.839 -99.200 -91.000 TYR 40 0.840 19.310 -24.647 -65.390 -99.200 -91.000 PHE 46 1.000 30.478 -18.845 -55.343 -99.200 -91.000 PHE 59 1.000 23.518 -23.691 -35.847 -99.200 -91.000 PHE 78 1.000 28.113 -24.230 -57.710 -99.200 -91.000 TYR 97 0.840 18.999 -39.556 -58.215 -99.200 -91.000 TYR 99 0.840 14.022 -41.665 -59.234 -99.200 -91.000 PHE 104 1.000 18.408 -42.606 -75.719 -99.200 -91.000 TYR 105 0.840 29.111 -44.139 -72.940 -99.200 -91.000 PHE 106 1.000 26.239 -45.551 -69.073 -99.200 -91.000 PHE 118 1.000 29.984 -46.140 -61.136 -99.200 -91.000 HIS 120 0.900 38.840 -41.231 -65.485 -99.200 -91.000 PHE 135 1.000 30.015 -39.911 -51.980 -99.200 -91.000 HIS 169 0.900 16.612 -41.353 -54.143 -99.200 -91.000 HIS 173 0.900 6.686 -44.883 -47.518 -99.200 -91.000 HIS 198 0.900 16.956 -40.470 -49.759 -99.200 -91.000 TYR 207 0.840 12.359 -51.440 -45.378 -99.200 -91.000 PHE 217 1.000 27.536 -46.873 -40.736 -99.200 -91.000 TYR 223 0.840 15.390 -35.263 -38.693 -99.200 -91.000 PHE 228 1.000 10.019 -36.978 -50.266 -99.200 -91.000 TYR 246 0.840 18.337 -51.361 -33.938 -99.200 -91.000 HIS 254 0.900 19.772 -30.767 -42.099 -99.200 -91.000 TYR 256 0.840 18.410 -26.378 -48.077 -99.200 -91.000 TRP 262 1.040 14.698 -32.634 -59.468 -99.200 -91.000 TRP6 262 1.020 14.105 -34.620 -58.328 -99.200 -91.000 TYR 269 0.840 4.663 -26.095 -56.264 -99.200 -91.000 TRP 277 1.040 14.964 -29.557 -47.089 -99.200 -91.000 TRP6 277 1.020 14.873 -29.324 -49.441 -99.200 -91.000 PHE 283 1.000 24.300 -28.431 -36.307 -99.200 -91.000 PHE 289 1.000 12.121 -35.140 -29.973 -99.200 -91.000 PHE 304 1.000 24.383 -35.564 -36.126 -99.200 -91.000 PHE 311 1.000 29.357 -44.616 -45.654 -99.200 -91.000 PHE 312 1.000 33.396 -41.097 -46.281 -99.200 -91.000