============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TRP 9 1.040 14.548 18.566 22.429 -99.200 -91.000 TRP6 9 1.020 13.575 16.684 23.525 -99.200 -91.000 PHE 21 1.000 20.696 10.413 21.435 -99.200 -91.000 TYR 24 0.840 20.730 18.094 21.543 -99.200 -91.000 PHE 28 1.000 27.346 25.114 25.927 -99.200 -91.000 TRP 41 1.040 21.473 20.850 40.594 -99.200 -91.000 TRP6 41 1.020 19.389 21.913 40.161 -99.200 -91.000 TRP 64 1.040 16.234 9.637 42.515 -99.200 -91.000 TRP6 64 1.020 14.195 10.764 42.050 -99.200 -91.000 TYR 66 0.840 21.073 1.526 48.685 -99.200 -91.000 TYR 67 0.840 20.682 12.540 48.270 -99.200 -91.000 TYR 80 0.840 6.721 -0.003 47.974 -99.200 -91.000 HIS 87 0.900 10.340 -3.117 33.230 -99.200 -91.000 PHE 96 1.000 24.635 7.035 58.002 -99.200 -91.000 TRP 98 1.040 23.162 -1.284 55.558 -99.200 -91.000 TRP6 98 1.020 21.886 -3.181 56.195 -99.200 -91.000 PHE 103 1.000 16.259 -0.880 47.766 -99.200 -91.000 PHE 115 1.000 3.044 2.994 51.852 -99.200 -91.000 TRP 148 1.040 1.091 7.014 46.018 -99.200 -91.000 TRP6 148 1.020 2.029 5.871 47.867 -99.200 -91.000 TYR 151 0.840 -3.645 7.477 52.702 -99.200 -91.000 PHE 157 1.000 4.668 17.832 45.542 -99.200 -91.000 TYR 165 0.840 7.530 17.995 24.684 -99.200 -91.000 PHE 180 1.000 -2.361 17.249 45.191 -99.200 -91.000 HIS 195 0.900 11.333 19.722 27.199 -99.200 -91.000 TYR 198 0.840 13.432 14.830 37.894 -99.200 -91.000 PHE 199 1.000 3.908 18.938 40.872 -99.200 -91.000