============================================================================= 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. PHE 25 1.000 19.789 4.566 38.286 -99.200 -91.000 PHE 27 1.000 24.644 1.720 40.846 -99.200 -91.000 TYR 31 0.840 31.576 10.479 36.874 -99.200 -91.000 TYR 33 0.840 27.551 13.276 41.285 -99.200 -91.000 TRP 34 1.040 26.769 8.817 49.254 -99.200 -91.000 TRP6 34 1.020 24.647 8.212 50.109 -99.200 -91.000 TRP 45 1.040 30.371 16.663 46.010 -99.200 -91.000 TRP6 45 1.020 32.673 17.102 46.301 -99.200 -91.000 TYR 55 0.840 37.257 11.808 40.154 -99.200 -91.000 TYR 58 0.840 35.841 10.527 49.885 -99.200 -91.000 PHE 66 1.000 31.264 11.564 56.382 -99.200 -91.000 TYR 78 0.840 27.196 -0.459 49.650 -99.200 -91.000 TYR 91 0.840 24.900 12.906 55.165 -99.200 -91.000 TYR 92 0.840 18.021 14.919 49.836 -99.200 -91.000 TYR 99 0.840 26.642 6.426 27.983 -99.200 -91.000 TYR 100 0.840 22.750 11.319 26.910 -99.200 -91.000 TYR 102 0.840 21.564 15.879 30.387 -99.200 -91.000 PHE 105 1.000 25.704 17.468 42.907 -99.200 -91.000 TYR 107 0.840 17.723 12.163 36.263 -99.200 -91.000 TRP 108 1.040 19.181 16.062 43.418 -99.200 -91.000 TRP6 108 1.020 20.331 17.141 45.184 -99.200 -91.000