============================================================================= 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 29 1.000 33.491 -2.139 54.389 -99.200 -91.000 TYR 32 0.840 30.555 0.505 61.896 -99.200 -91.000 TRP 33 1.040 33.632 -7.247 64.489 -99.200 -91.000 TRP6 33 1.020 32.870 -8.698 66.181 -99.200 -91.000 TRP 36 1.040 29.189 -11.540 51.939 -99.200 -91.000 TRP6 36 1.020 27.972 -10.458 50.223 -99.200 -91.000 TRP 47 1.040 27.010 -15.317 60.063 -99.200 -91.000 TRP6 47 1.020 28.501 -17.014 60.656 -99.200 -91.000 TYR 58 0.840 41.985 -6.471 57.105 -99.200 -91.000 TYR 61 0.840 35.509 -15.054 63.282 -99.200 -91.000 TYR 62 0.840 34.992 -18.310 55.654 -99.200 -91.000 PHE 70 1.000 29.619 -19.606 49.696 -99.200 -91.000 TYR 82 0.840 35.593 -7.053 47.032 -99.200 -91.000 TYR 95 0.840 24.381 -16.163 48.393 -99.200 -91.000 TYR 96 0.840 18.816 -10.215 51.863 -99.200 -91.000 PHE 98 1.000 22.890 -9.062 60.349 -99.200 -91.000 TYR 103 0.840 22.820 0.259 60.164 -99.200 -91.000 TRP 104 1.040 19.204 -7.306 57.867 -99.200 -91.000 TRP6 104 1.020 19.505 -9.612 57.483 -99.200 -91.000 TYR 123 0.840 3.045 -13.855 24.739 -99.200 -91.000 TYR 139 0.840 10.579 -15.123 34.342 -99.200 -91.000 PHE 140 1.000 16.654 -21.034 35.091 -99.200 -91.000 TRP 148 1.040 1.303 -2.889 35.691 -99.200 -91.000 TRP6 148 1.020 0.338 -3.624 33.672 -99.200 -91.000 HIS 158 0.900 -3.758 -7.377 43.463 -99.200 -91.000 PHE 160 1.000 -1.810 -12.456 40.469 -99.200 -91.000 TYR 169 0.840 11.544 -19.670 37.811 -99.200 -91.000 TRP 182 1.040 -6.584 1.035 28.970 -99.200 -91.000 TRP6 182 1.020 -8.079 -0.593 28.130 -99.200 -91.000 HIS 193 0.900 15.386 -12.788 32.529 -99.200 -91.000