============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 3 1.000 45.755 25.362 17.682 -99.200 -91.000 TRP 15 1.040 40.041 20.589 10.269 -99.200 -91.000 TRP6 15 1.020 39.215 18.694 11.404 -99.200 -91.000 TRP 17 1.040 32.888 17.223 11.018 -99.200 -91.000 TRP6 17 1.020 33.318 14.960 11.519 -99.200 -91.000 TYR 24 0.840 35.103 28.845 12.951 -99.200 -91.000 HIS 28 0.900 45.617 30.668 5.104 -99.200 -91.000 PHE 29 1.000 38.865 24.181 6.020 -99.200 -91.000 TYR 34 0.840 35.323 28.304 -2.421 -99.200 -91.000 HIS 37 0.900 33.404 38.049 -0.272 -99.200 -91.000 HIS 48 0.900 41.661 13.459 -7.597 -99.200 -91.000 HIS 62 0.900 40.749 10.699 15.816 -99.200 -91.000 HIS 65 0.900 39.075 0.269 15.369 -99.200 -91.000 TYR 69 0.840 41.537 12.735 9.976 -99.200 -91.000 TYR 73 0.840 41.954 15.019 2.570 -99.200 -91.000 PHE 82 1.000 40.680 17.592 -7.807 -99.200 -91.000 TRP 84 1.040 48.708 16.378 -3.588 -99.200 -91.000 TRP6 84 1.020 48.353 14.161 -2.856 -99.200 -91.000 TRP 93 1.040 35.655 9.274 20.711 -99.200 -91.000 TRP6 93 1.020 37.960 9.806 20.666 -99.200 -91.000 TYR 100 0.840 32.165 15.883 23.295 -99.200 -91.000 TRP 104 1.040 46.853 21.239 12.528 -99.200 -91.000 TRP6 104 1.020 48.232 20.288 10.860 -99.200 -91.000