============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TRP 1 1.040 14.617 -10.609 58.036 -99.200 -91.000 TRP6 1 1.020 14.162 -8.751 56.648 -99.200 -91.000 TYR 3 0.840 14.743 -6.297 51.613 -99.200 -91.000 TYR 11 0.840 26.493 -9.340 59.239 -99.200 -91.000 TRP 19 1.040 13.816 -13.727 53.242 -99.200 -91.000 TRP6 19 1.020 12.365 -11.925 52.746 -99.200 -91.000 PHE 47 1.000 -9.403 3.069 52.169 -99.200 -91.000 PHE 48 1.000 -15.541 8.266 55.021 -99.200 -91.000 PHE 49 1.000 -7.265 8.763 54.570 -99.200 -91.000 TYR 52 0.840 -3.931 8.894 57.857 -99.200 -91.000 TRP 58 1.040 4.831 12.386 62.688 -99.200 -91.000 TRP6 58 1.020 2.952 11.153 63.401 -99.200 -91.000 HIS 65 0.900 16.114 -5.795 58.117 -99.200 -91.000 TYR 86 0.840 -8.387 -2.866 59.610 -99.200 -91.000 HIS 92 0.900 7.574 -0.462 56.145 -99.200 -91.000 HIS 94 0.900 9.780 -2.064 51.446 -99.200 -91.000 TRP 95 1.040 15.566 3.650 49.189 -99.200 -91.000 TRP6 95 1.020 14.898 3.389 51.437 -99.200 -91.000 TYR 100 0.840 15.342 0.663 35.121 -99.200 -91.000 HIS 105 0.900 2.009 -4.590 46.178 -99.200 -91.000 HIS 111 0.900 8.603 -3.869 39.393 -99.200 -91.000 PHE 112 1.000 4.512 3.273 39.055 -99.200 -91.000 HIS 117 0.900 4.897 -1.494 51.686 -99.200 -91.000 HIS 120 0.900 -3.314 2.277 58.639 -99.200 -91.000 PHE 145 1.000 -0.692 6.329 49.760 -99.200 -91.000 PHE 157 1.000 7.243 11.754 51.015 -99.200 -91.000 HIS 192 0.900 -10.963 5.967 40.073 -99.200 -91.000 TYR 193 0.840 -9.790 1.721 47.160 -99.200 -91.000 PHE 194 1.000 -5.634 -1.153 40.556 -99.200 -91.000 TYR 196 0.840 -2.804 -8.110 46.898 -99.200 -91.000 TRP 211 1.040 -0.800 -6.491 50.928 -99.200 -91.000 TRP6 211 1.020 1.033 -5.008 51.099 -99.200 -91.000 PHE 214 1.000 -5.054 4.589 48.415 -99.200 -91.000 HIS 221 0.900 13.773 17.954 42.004 -99.200 -91.000 PHE 228 1.000 13.833 8.622 51.312 -99.200 -91.000 TYR 233 0.840 26.146 5.127 54.295 -99.200 -91.000 TYR 234 0.840 20.626 -2.646 52.713 -99.200 -91.000