============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. HIS 7 0.900 38.062 33.221 13.290 -99.200 -91.000 PHE 21 1.000 40.643 18.540 26.121 -99.200 -91.000 TYR 22 0.840 40.554 22.621 22.890 -99.200 -91.000 PHE 28 1.000 44.420 22.865 19.020 -99.200 -91.000 TRP 34 1.040 41.084 38.322 25.470 -99.200 -91.000 TRP6 34 1.020 41.306 36.851 23.638 -99.200 -91.000 TYR 39 0.840 42.786 35.536 19.310 -99.200 -91.000 TRP 46 1.040 42.733 32.307 15.201 -99.200 -91.000 TRP6 46 1.020 42.080 34.182 13.968 -99.200 -91.000 TYR 55 0.840 29.016 26.711 26.301 -99.200 -91.000 TYR 62 0.840 25.715 11.414 15.655 -99.200 -91.000 HIS 64 0.900 31.690 14.924 14.509 -99.200 -91.000 TYR 65 0.840 33.341 21.807 16.893 -99.200 -91.000 PHE 67 1.000 40.677 19.270 16.812 -99.200 -91.000 PHE 74 1.000 42.987 6.175 16.177 -99.200 -91.000 PHE 77 1.000 44.979 12.322 20.351 -99.200 -91.000 HIS 84 0.900 44.269 14.268 31.025 -99.200 -91.000 TRP 89 1.040 32.166 12.569 20.889 -99.200 -91.000 TRP6 89 1.020 30.877 12.591 18.901 -99.200 -91.000 PHE 99 1.000 40.221 8.773 21.967 -99.200 -91.000 TYR 100 0.840 34.155 9.318 16.391 -99.200 -91.000 PHE 101 1.000 39.567 14.187 21.726 -99.200 -91.000 HIS 107 0.900 32.344 23.446 22.739 -99.200 -91.000 HIS 112 0.900 38.829 10.241 9.942 -99.200 -91.000 TYR 128 0.840 28.107 6.574 5.005 -99.200 -91.000 PHE 133 1.000 29.398 8.143 -3.640 -99.200 -91.000