============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 4 0.840 41.297 6.687 50.843 -99.200 -91.000 PHE 7 1.000 33.522 8.057 52.545 -99.200 -91.000 PHE 17 1.000 17.671 11.217 57.016 -99.200 -91.000 HIS 33 0.900 32.691 16.029 43.654 -99.200 -91.000 TYR 36 0.840 33.139 13.729 38.602 -99.200 -91.000 PHE 43 1.000 24.163 5.921 24.869 -99.200 -91.000 TRP 46 1.040 23.302 10.467 35.707 -99.200 -91.000 TRP6 46 1.020 24.783 8.651 35.418 -99.200 -91.000 PHE 77 1.000 19.877 14.738 46.812 -99.200 -91.000 PHE 80 1.000 11.959 10.868 38.591 -99.200 -91.000 TYR 86 0.840 20.001 3.893 27.789 -99.200 -91.000 TRP 90 1.040 23.996 13.738 24.404 -99.200 -91.000 TRP6 90 1.020 25.065 11.951 25.528 -99.200 -91.000 TRP 91 1.040 27.951 7.725 22.798 -99.200 -91.000 TRP6 91 1.020 29.708 7.433 21.254 -99.200 -91.000 PHE 94 1.000 28.906 14.415 26.835 -99.200 -91.000 HIS 95 0.900 30.675 10.372 24.360 -99.200 -91.000 TYR 116 0.840 25.078 -4.502 24.069 -99.200 -91.000 PHE 117 1.000 21.853 0.591 23.472 -99.200 -91.000 HIS 120 0.900 22.845 -8.510 24.003 -99.200 -91.000 PHE 136 1.000 23.426 10.174 39.735 -99.200 -91.000 TYR 145 0.840 30.099 17.355 50.025 -99.200 -91.000 TYR 147 0.840 24.204 17.282 54.967 -99.200 -91.000 PHE 156 1.000 9.494 5.250 43.152 -99.200 -91.000 TYR 162 0.840 3.000 16.775 45.634 -99.200 -91.000 TRP 168 1.040 12.465 12.038 32.562 -99.200 -91.000 TRP6 168 1.020 13.061 13.769 34.024 -99.200 -91.000 HIS 185 0.900 26.557 -1.720 56.187 -99.200 -91.000 PHE 193 1.000 28.494 -12.259 48.257 -99.200 -91.000