============================================================================= 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 20.023 7.030 17.372 -99.200 -91.000 TRP6 14 1.020 21.284 8.903 16.660 -99.200 -91.000 PHE 19 1.000 15.725 -4.676 32.922 -99.200 -91.000 TRP 37 1.040 5.463 10.869 21.750 -99.200 -91.000 TRP6 37 1.020 3.604 9.410 21.663 -99.200 -91.000 HIS 43 0.900 9.170 -8.482 16.470 -99.200 -91.000 TYR 47 0.840 4.885 -13.518 16.992 -99.200 -91.000 TRP 49 1.040 6.730 -17.441 19.583 -99.200 -91.000 TRP6 49 1.020 8.914 -16.596 19.262 -99.200 -91.000 PHE 53 1.000 6.174 -8.505 27.468 -99.200 -91.000 HIS 65 0.900 29.377 1.162 25.526 -99.200 -91.000 TYR 70 0.840 21.273 2.380 37.849 -99.200 -91.000 TYR 84 0.840 -0.622 5.723 22.073 -99.200 -91.000 HIS 86 0.900 -0.339 0.467 11.257 -99.200 -91.000 TYR 89 0.840 2.158 -6.763 14.933 -99.200 -91.000 TRP 91 1.040 -1.475 -10.428 15.730 -99.200 -91.000 TRP6 91 1.020 -2.474 -12.561 16.030 -99.200 -91.000 PHE 110 1.000 16.390 15.272 24.203 -99.200 -91.000 TYR 113 0.840 27.363 9.891 28.295 -99.200 -91.000 HIS 115 0.900 20.536 15.045 20.462 -99.200 -91.000 TYR 132 0.840 22.513 5.220 -1.872 -99.200 -91.000 TRP 139 1.040 22.957 -3.267 24.770 -99.200 -91.000 TRP6 139 1.020 21.427 -1.470 24.554 -99.200 -91.000 PHE 176 1.000 14.829 -1.124 5.125 -99.200 -91.000 TYR 180 0.840 28.141 -6.565 3.795 -99.200 -91.000 PHE 199 1.000 19.125 -0.140 7.572 -99.200 -91.000 PHE 205 1.000 21.236 14.387 -0.277 -99.200 -91.000 TRP 209 1.040 24.165 9.767 12.538 -99.200 -91.000 TRP6 209 1.020 24.935 7.745 11.580 -99.200 -91.000 TYR 210 0.840 17.112 12.504 8.277 -99.200 -91.000 TRP 217 1.040 10.297 -10.328 8.860 -99.200 -91.000 TRP6 217 1.020 10.897 -11.879 7.168 -99.200 -91.000 TYR 227 0.840 19.962 -11.068 1.313 -99.200 -91.000 PHE 229 1.000 13.125 -9.892 4.489 -99.200 -91.000 TYR 230 0.840 16.872 -4.368 9.039 -99.200 -91.000 HIS 232 0.900 9.960 2.266 3.406 -99.200 -91.000 PHE 234 1.000 7.955 8.799 3.471 -99.200 -91.000 TRP 239 1.040 -0.211 4.179 13.471 -99.200 -91.000 TRP6 239 1.020 1.579 3.633 14.923 -99.200 -91.000 PHE 247 1.000 -3.988 8.746 21.240 -99.200 -91.000