============================================================================= 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 7 1.040 5.706 38.011 60.970 -99.200 -91.000 TRP6 7 1.020 5.085 38.072 58.704 -99.200 -91.000 HIS 22 0.900 -6.813 40.533 57.788 -99.200 -91.000 TYR 28 0.840 4.884 34.621 42.475 -99.200 -91.000 TRP 54 1.040 -5.675 42.068 52.332 -99.200 -91.000 TRP6 54 1.020 -5.030 43.057 50.293 -99.200 -91.000 TYR 63 0.840 -5.611 47.920 50.831 -99.200 -91.000 TYR 80 0.840 25.571 44.604 50.212 -99.200 -91.000 TRP 83 1.040 18.948 44.094 46.051 -99.200 -91.000 TRP6 83 1.020 17.431 44.198 44.237 -99.200 -91.000 HIS 84 0.900 13.579 48.928 47.266 -99.200 -91.000 HIS 85 0.900 13.681 41.087 44.833 -99.200 -91.000 PHE 86 1.000 5.713 45.445 42.063 -99.200 -91.000 TYR 105 0.840 8.235 40.872 40.272 -99.200 -91.000 HIS 117 0.900 19.139 35.381 49.164 -99.200 -91.000 TYR 119 0.840 13.602 36.101 47.554 -99.200 -91.000 TRP 121 1.040 5.068 38.791 47.749 -99.200 -91.000 TRP6 121 1.020 4.890 40.539 46.168 -99.200 -91.000 TYR 124 0.840 3.209 47.978 55.408 -99.200 -91.000 HIS 144 0.900 19.703 55.360 44.246 -99.200 -91.000 PHE 148 1.000 12.344 49.805 51.007 -99.200 -91.000 PHE 153 1.000 7.653 53.591 51.408 -99.200 -91.000 TYR 157 0.840 5.994 58.199 52.471 -99.200 -91.000 TYR 168 0.840 9.004 34.167 46.913 -99.200 -91.000 TRP 172 1.040 22.219 30.552 40.672 -99.200 -91.000 TRP6 172 1.020 22.397 28.644 39.298 -99.200 -91.000 TYR 175 0.840 14.589 34.681 35.545 -99.200 -91.000 TYR 180 0.840 22.352 37.929 39.409 -99.200 -91.000