============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TRP 6 1.040 17.749 44.010 9.565 -99.200 -91.000 TRP6 6 1.020 18.724 44.842 11.553 -99.200 -91.000 PHE 20 1.000 6.347 26.577 11.051 -99.200 -91.000 TYR 31 0.840 26.485 43.536 8.444 -99.200 -91.000 PHE 41 1.000 17.077 39.734 15.757 -99.200 -91.000 HIS 42 0.900 25.466 41.934 18.278 -99.200 -91.000 TYR 49 0.840 12.095 37.105 23.887 -99.200 -91.000 PHE 69 1.000 21.862 39.761 5.240 -99.200 -91.000 TYR 70 0.840 22.512 34.755 10.944 -99.200 -91.000 TYR 82 0.840 22.365 28.630 9.306 -99.200 -91.000 HIS 90 0.900 16.455 35.450 -11.666 -99.200 -91.000 PHE 102 1.000 9.436 26.171 5.817 -99.200 -91.000 PHE 109 1.000 14.827 19.431 13.421 -99.200 -91.000 HIS 121 0.900 17.232 34.675 8.764 -99.200 -91.000 HIS 123 0.900 13.763 43.589 4.209 -99.200 -91.000 PHE 125 1.000 7.420 42.077 7.564 -99.200 -91.000 PHE 130 1.000 4.736 30.978 -1.545 -99.200 -91.000 PHE 135 1.000 4.971 22.344 8.531 -99.200 -91.000 TRP 142 1.040 -3.522 25.934 10.547 -99.200 -91.000 TRP6 142 1.020 -3.398 28.151 11.354 -99.200 -91.000 PHE 151 1.000 3.871 35.861 8.006 -99.200 -91.000 TYR 160 0.840 6.139 43.630 2.073 -99.200 -91.000 TYR 164 0.840 6.668 36.146 -2.682 -99.200 -91.000 PHE 169 1.000 -6.124 33.198 -0.915 -99.200 -91.000 TYR 172 0.840 -0.683 25.579 -0.755 -99.200 -91.000 TRP 187 1.040 6.831 49.820 10.468 -99.200 -91.000 TRP6 187 1.020 8.091 48.168 9.349 -99.200 -91.000 PHE 189 1.000 7.649 52.224 1.426 -99.200 -91.000