============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 7 0.840 9.205 -45.953 26.318 -99.200 -91.000 TRP 9 1.040 11.330 -38.868 22.622 -99.200 -91.000 TRP6 9 1.020 11.138 -36.957 21.264 -99.200 -91.000 TYR 24 0.840 7.952 -40.930 21.358 -99.200 -91.000 TRP 35 1.040 2.548 -46.367 21.990 -99.200 -91.000 TRP6 35 1.020 4.799 -46.243 22.659 -99.200 -91.000 PHE 44 1.000 7.745 -21.081 18.077 -99.200 -91.000 TRP 49 1.040 12.354 -32.924 27.511 -99.200 -91.000 TRP6 49 1.020 14.680 -33.355 27.471 -99.200 -91.000 TRP 59 1.040 -3.338 -37.320 33.427 -99.200 -91.000 TRP6 59 1.020 -3.134 -39.145 31.940 -99.200 -91.000 TRP 63 1.040 -5.341 -43.308 32.476 -99.200 -91.000 TRP6 63 1.020 -4.368 -45.373 31.887 -99.200 -91.000 PHE 78 1.000 -0.892 -33.483 20.250 -99.200 -91.000 TYR 97 0.840 0.144 -40.886 6.212 -99.200 -91.000 TYR 117 0.840 15.205 -14.358 4.153 -99.200 -91.000 HIS 137 0.900 -5.089 -22.195 -5.152 -99.200 -91.000 TRP 146 1.040 6.358 -8.476 7.443 -99.200 -91.000 TRP6 146 1.020 5.036 -9.694 5.922 -99.200 -91.000 PHE 154 1.000 4.296 -10.514 1.331 -99.200 -91.000 TYR 157 0.840 9.073 -5.820 -3.961 -99.200 -91.000 TYR 162 0.840 0.617 -13.993 -11.031 -99.200 -91.000 PHE 168 1.000 -3.289 -20.590 5.596 -99.200 -91.000 PHE 182 1.000 -1.039 -8.028 4.627 -99.200 -91.000 TRP 192 1.040 -7.485 -14.320 13.344 -99.200 -91.000 TRP6 192 1.020 -6.253 -12.347 13.050 -99.200 -91.000 PHE 201 1.000 -9.193 -16.623 18.035 -99.200 -91.000 PHE 203 1.000 -11.995 -20.423 16.832 -99.200 -91.000 HIS 233 0.900 -13.842 -27.258 9.555 -99.200 -91.000 TRP 260 1.040 -11.984 -38.186 13.709 -99.200 -91.000 TRP6 260 1.020 -11.470 -37.798 15.964 -99.200 -91.000 TRP 283 1.040 5.580 -38.650 6.565 -99.200 -91.000 TRP6 283 1.020 3.790 -37.443 7.537 -99.200 -91.000