============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 26 0.840 24.504 36.021 8.093 -99.200 -91.000 PHE 28 1.000 28.513 30.595 6.792 -99.200 -91.000 TYR 31 0.840 24.988 39.140 3.176 -99.200 -91.000 TRP 32 1.040 33.193 39.043 0.779 -99.200 -91.000 TRP6 32 1.020 35.012 37.786 -0.054 -99.200 -91.000 TRP 35 1.040 38.074 33.892 10.458 -99.200 -91.000 TRP6 35 1.020 37.491 32.810 12.481 -99.200 -91.000 TRP 46 1.040 41.074 41.382 7.229 -99.200 -91.000 TRP6 46 1.020 42.233 40.843 5.235 -99.200 -91.000 TYR 51 0.840 30.377 35.476 -1.366 -99.200 -91.000 TYR 56 0.840 38.337 35.020 -4.650 -99.200 -91.000 HIS 58 0.900 39.907 38.727 -1.229 -99.200 -91.000 TYR 59 0.840 44.192 32.685 3.571 -99.200 -91.000 PHE 63 1.000 48.006 37.424 11.038 -99.200 -91.000 TYR 79 0.840 34.596 24.825 11.167 -99.200 -91.000 TYR 92 0.840 43.844 34.318 16.951 -99.200 -91.000 TYR 93 0.840 37.342 40.502 18.889 -99.200 -91.000 TRP 100 1.040 27.637 50.942 2.698 -99.200 -91.000 TRP6 100 1.020 29.885 51.549 2.284 -99.200 -91.000 PHE 101 1.000 24.609 49.306 8.289 -99.200 -91.000 TYR 103 0.840 25.136 42.855 11.901 -99.200 -91.000 TRP 104 1.040 32.908 43.495 14.831 -99.200 -91.000 TRP6 104 1.020 35.273 43.501 14.723 -99.200 -91.000 TYR 123 0.840 38.617 31.171 48.455 -99.200 -91.000 TYR 141 0.840 41.467 33.154 36.522 -99.200 -91.000 PHE 142 1.000 47.828 29.193 32.167 -99.200 -91.000 TRP 150 1.040 28.718 40.742 41.487 -99.200 -91.000 TRP6 150 1.020 29.136 39.769 43.605 -99.200 -91.000 HIS 160 0.900 33.342 49.995 40.664 -99.200 -91.000 PHE 162 1.000 38.104 45.962 41.601 -99.200 -91.000 TYR 171 0.840 46.314 35.067 33.833 -99.200 -91.000 TRP 184 1.040 23.704 40.663 51.157 -99.200 -91.000 TRP6 184 1.020 25.139 40.927 53.017 -99.200 -91.000 HIS 195 0.900 39.469 28.492 34.307 -99.200 -91.000