============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 2 1.000 78.290 25.746 14.237 -99.200 -91.000 HIS 4 0.900 74.038 19.041 21.663 -99.200 -91.000 TRP 14 1.040 65.710 40.405 14.356 -99.200 -91.000 TRP6 14 1.020 67.339 40.147 12.670 -99.200 -91.000 TRP 32 1.040 56.852 27.871 20.842 -99.200 -91.000 TRP6 32 1.020 56.589 29.883 22.061 -99.200 -91.000 TYR 34 0.840 53.530 34.907 20.847 -99.200 -91.000 HIS 38 0.900 53.312 32.079 12.432 -99.200 -91.000 TYR 51 0.840 53.752 37.480 11.731 -99.200 -91.000 TYR 55 0.840 63.070 36.024 1.206 -99.200 -91.000 PHE 57 1.000 60.187 28.017 7.562 -99.200 -91.000 TYR 64 0.840 60.191 21.372 17.043 -99.200 -91.000 PHE 84 1.000 53.590 43.533 21.935 -99.200 -91.000 PHE 86 1.000 62.785 38.998 26.981 -99.200 -91.000 HIS 87 0.900 56.037 38.818 33.077 -99.200 -91.000 TRP 105 1.040 67.748 40.160 24.752 -99.200 -91.000 TRP6 105 1.020 68.940 39.407 26.634 -99.200 -91.000 HIS 118 0.900 70.698 43.393 32.159 -99.200 -91.000 PHE 159 1.000 74.835 32.439 24.777 -99.200 -91.000 HIS 168 0.900 81.492 37.420 11.055 -99.200 -91.000 PHE 172 1.000 73.024 38.463 10.524 -99.200 -91.000 TYR 175 0.840 81.432 43.545 12.392 -99.200 -91.000 PHE 228 1.000 69.052 52.462 33.972 -99.200 -91.000 PHE 258 1.000 51.234 55.084 16.122 -99.200 -91.000 TYR 283 0.840 55.045 46.908 26.442 -99.200 -91.000 HIS 289 0.900 56.368 59.461 30.643 -99.200 -91.000 HIS 295 0.900 66.004 54.609 37.755 -99.200 -91.000 PHE 303 1.000 59.672 62.385 30.183 -99.200 -91.000 HIS 306 0.900 53.336 58.878 28.478 -99.200 -91.000 HIS 310 0.900 49.601 57.035 26.767 -99.200 -91.000