============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. HIS 7 0.900 26.031 95.219 35.850 -99.200 -91.000 TRP 23 1.040 16.799 118.134 45.634 -99.200 -91.000 TRP6 23 1.020 16.890 120.370 44.856 -99.200 -91.000 TRP 34 1.040 17.921 107.804 47.774 -99.200 -91.000 TRP6 34 1.020 19.914 108.732 48.681 -99.200 -91.000 PHE 46 1.000 14.536 118.839 41.018 -99.200 -91.000 PHE 79 1.000 17.839 122.311 40.641 -99.200 -91.000 PHE 90 1.000 23.630 109.970 39.430 -99.200 -91.000 PHE 101 1.000 28.359 121.574 40.144 -99.200 -91.000 TRP 105 1.040 28.763 123.487 44.822 -99.200 -91.000 TRP6 105 1.020 29.389 121.238 45.143 -99.200 -91.000 TRP 127 1.040 38.901 114.322 34.546 -99.200 -91.000 TRP6 127 1.020 40.237 113.704 36.398 -99.200 -91.000 PHE 133 1.000 32.843 124.008 42.979 -99.200 -91.000 PHE 140 1.000 32.495 103.037 38.418 -99.200 -91.000 HIS 144 0.900 27.056 93.525 31.241 -99.200 -91.000 HIS 146 0.900 25.532 90.284 20.814 -99.200 -91.000 PHE 149 1.000 31.957 80.739 16.499 -99.200 -91.000 HIS 158 0.900 34.681 108.439 31.646 -99.200 -91.000 TRP 160 1.040 33.689 115.081 41.307 -99.200 -91.000 TRP6 160 1.020 32.422 117.055 41.499 -99.200 -91.000