============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 8.370 6.909 18.533 -99.200 -91.000 TRP6 14 1.020 7.089 8.751 19.266 -99.200 -91.000 PHE 19 1.000 12.696 -4.890 3.229 -99.200 -91.000 TRP 37 1.040 22.986 10.988 14.318 -99.200 -91.000 TRP6 37 1.020 24.835 9.520 14.306 -99.200 -91.000 HIS 43 0.900 19.301 -8.575 19.309 -99.200 -91.000 TYR 47 0.840 23.909 -13.690 18.985 -99.200 -91.000 TRP 49 1.040 21.988 -17.435 16.485 -99.200 -91.000 TRP6 49 1.020 20.069 -16.159 16.997 -99.200 -91.000 PHE 53 1.000 22.398 -8.636 8.588 -99.200 -91.000 HIS 65 0.900 -1.036 1.068 10.133 -99.200 -91.000 TYR 70 0.840 7.307 2.257 -2.039 -99.200 -91.000 TYR 84 0.840 29.289 5.718 14.025 -99.200 -91.000 HIS 86 0.900 28.960 0.498 24.730 -99.200 -91.000 TYR 89 0.840 26.492 -6.795 20.900 -99.200 -91.000 TRP 91 1.040 30.131 -10.463 20.239 -99.200 -91.000 TRP6 91 1.020 31.115 -12.586 19.929 -99.200 -91.000 PHE 110 1.000 12.151 15.288 11.811 -99.200 -91.000 TYR 113 0.840 1.170 9.886 7.484 -99.200 -91.000 HIS 115 0.900 7.841 15.051 15.455 -99.200 -91.000 TYR 132 0.840 5.659 5.022 37.885 -99.200 -91.000 TRP 139 1.040 5.527 -3.361 11.078 -99.200 -91.000 TRP6 139 1.020 7.080 -1.597 11.284 -99.200 -91.000 PHE 178 1.000 13.599 -1.151 30.812 -99.200 -91.000 TYR 182 0.840 0.241 -6.629 32.085 -99.200 -91.000 PHE 201 1.000 9.159 -0.184 28.316 -99.200 -91.000 PHE 207 1.000 6.829 14.513 36.259 -99.200 -91.000 TRP 211 1.040 4.180 9.760 23.345 -99.200 -91.000 TRP6 211 1.020 3.410 7.747 24.305 -99.200 -91.000 TYR 212 0.840 11.228 12.461 27.712 -99.200 -91.000 TRP 219 1.040 18.325 -10.338 27.072 -99.200 -91.000 TRP6 219 1.020 17.758 -11.850 28.794 -99.200 -91.000 TYR 229 0.840 8.515 -11.291 34.525 -99.200 -91.000 PHE 231 1.000 15.447 -9.928 31.425 -99.200 -91.000 TYR 232 0.840 11.618 -4.408 26.810 -99.200 -91.000 HIS 234 0.900 18.408 2.128 32.540 -99.200 -91.000 PHE 236 1.000 20.305 8.778 32.391 -99.200 -91.000 TRP 241 1.040 28.807 4.340 22.557 -99.200 -91.000 TRP6 241 1.020 27.026 3.678 21.161 -99.200 -91.000 PHE 249 1.000 32.583 8.998 14.778 -99.200 -91.000