============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 2 1.000 20.436 20.127 9.923 -99.200 -91.000 TYR 13 0.840 18.479 15.317 27.665 -99.200 -91.000 PHE 25 1.000 12.711 17.749 15.744 -99.200 -91.000 TYR 26 0.840 6.098 13.735 12.086 -99.200 -91.000 PHE 31 1.000 15.336 7.874 17.432 -99.200 -91.000 HIS 35 0.900 8.041 13.418 6.677 -99.200 -91.000 PHE 55 1.000 25.778 13.929 14.424 -99.200 -91.000 PHE 67 1.000 20.326 5.757 14.874 -99.200 -91.000 TRP 78 1.040 6.970 6.229 16.295 -99.200 -91.000 TRP6 78 1.020 9.250 6.481 16.732 -99.200 -91.000 TRP 94 1.040 19.289 4.897 30.081 -99.200 -91.000 TRP6 94 1.020 20.097 2.856 29.243 -99.200 -91.000 HIS 103 0.900 18.699 -0.642 25.820 -99.200 -91.000