============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. HIS 3 0.900 4.868 38.510 21.681 -99.200 -91.000 TYR 22 0.840 12.903 32.254 22.418 -99.200 -91.000 PHE 29 1.000 11.433 26.815 20.738 -99.200 -91.000 HIS 41 0.900 9.879 8.365 21.401 -99.200 -91.000 TYR 49 0.840 2.202 8.702 4.320 -99.200 -91.000 PHE 56 1.000 5.400 20.177 3.972 -99.200 -91.000 PHE 71 1.000 7.945 30.696 23.460 -99.200 -91.000 TYR 80 0.840 9.575 13.943 27.691 -99.200 -91.000 TYR 86 0.840 0.254 27.747 18.177 -99.200 -91.000 TYR 88 0.840 3.400 31.582 12.746 -99.200 -91.000 TYR 108 0.840 0.711 14.256 22.343 -99.200 -91.000 TYR 110 0.840 -1.645 18.087 26.693 -99.200 -91.000 HIS 116 0.900 -2.845 30.263 16.367 -99.200 -91.000 HIS 119 0.900 -5.371 28.366 10.623 -99.200 -91.000 TRP 135 1.040 -5.821 12.804 6.954 -99.200 -91.000 TRP6 135 1.020 -6.506 11.901 9.006 -99.200 -91.000