============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 9 0.900 60.366 8.897 59.916 -99.200 -91.000 TYR 10 0.840 53.401 4.233 60.790 -99.200 -91.000 HIS 15 0.900 50.494 13.195 52.986 -99.200 -91.000 TYR 16 0.840 56.409 12.932 52.003 -99.200 -91.000 TYR 28 0.840 47.378 11.670 37.360 -99.200 -91.000 TRP 31 1.040 49.067 14.494 44.867 -99.200 -91.000 TRP6 31 1.020 49.643 16.216 43.358 -99.200 -91.000 HIS 33 0.900 40.247 19.052 43.903 -99.200 -91.000 HIS 41 0.900 56.236 28.597 45.041 -99.200 -91.000 TYR 42 0.840 54.421 20.500 42.225 -99.200 -91.000 TRP 43 1.040 60.579 27.395 42.759 -99.200 -91.000 TRP6 43 1.020 61.870 28.114 44.596 -99.200 -91.000 TYR 47 0.840 68.699 24.659 42.061 -99.200 -91.000 PHE 51 1.000 83.918 28.098 36.182 -99.200 -91.000 TYR 67 0.840 56.053 20.783 37.200 -99.200 -91.000 PHE 71 1.000 44.063 23.293 44.830 -99.200 -91.000 TYR 82 0.840 41.482 13.233 35.930 -99.200 -91.000 TRP 87 1.040 45.895 13.436 20.582 -99.200 -91.000 TRP6 87 1.020 43.718 12.520 20.492 -99.200 -91.000 TYR 97 0.840 55.850 9.211 41.506 -99.200 -91.000 PHE 98 1.000 61.097 2.100 43.063 -99.200 -91.000 PHE 105 1.000 64.743 17.875 60.206 -99.200 -91.000 TYR 121 0.840 63.918 3.350 38.118 -99.200 -91.000 HIS 132 0.900 63.124 12.327 34.742 -99.200 -91.000 PHE 147 1.000 51.170 14.857 58.242 -99.200 -91.000 PHE 150 1.000 52.438 25.065 54.638 -99.200 -91.000 TYR 167 0.840 51.692 17.557 32.190 -99.200 -91.000 PHE 168 1.000 58.312 13.252 36.569 -99.200 -91.000 PHE 169 1.000 50.636 16.695 38.531 -99.200 -91.000