============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TRP 14 1.040 8.445 6.223 18.455 -99.200 -91.000 TRP6 14 1.020 7.099 8.000 19.266 -99.200 -91.000 PHE 19 1.000 12.673 -5.418 3.073 -99.200 -91.000 TRP 37 1.040 22.945 10.356 14.155 -99.200 -91.000 TRP6 37 1.020 24.765 8.859 14.068 -99.200 -91.000 HIS 43 0.900 19.400 -8.996 19.562 -99.200 -91.000 TYR 47 0.840 23.706 -14.322 18.763 -99.200 -91.000 TRP 49 1.040 21.873 -18.221 16.373 -99.200 -91.000 TRP6 49 1.020 20.087 -16.886 17.105 -99.200 -91.000 PHE 53 1.000 22.266 -9.297 8.427 -99.200 -91.000 HIS 65 0.900 -1.071 0.590 10.110 -99.200 -91.000 TYR 70 0.840 7.382 1.493 -1.963 -99.200 -91.000 TYR 84 0.840 29.355 5.082 13.924 -99.200 -91.000 HIS 86 0.900 29.012 0.136 24.603 -99.200 -91.000 TYR 89 0.840 26.572 -7.348 21.037 -99.200 -91.000 TRP 91 1.040 29.739 -11.233 20.274 -99.200 -91.000 TRP6 91 1.020 30.565 -13.469 20.126 -99.200 -91.000 PHE 110 1.000 12.007 14.606 11.582 -99.200 -91.000 TYR 113 0.840 1.155 9.220 7.530 -99.200 -91.000 HIS 115 0.900 7.786 14.381 15.331 -99.200 -91.000 TYR 132 0.840 5.753 4.647 37.906 -99.200 -91.000 TRP 139 1.040 5.217 -3.979 11.048 -99.200 -91.000 TRP6 139 1.020 6.700 -2.178 11.221 -99.200 -91.000 PHE 176 1.000 13.741 -1.558 30.980 -99.200 -91.000 TYR 180 0.840 0.516 -7.239 32.013 -99.200 -91.000 PHE 199 1.000 9.323 -0.659 28.278 -99.200 -91.000 PHE 205 1.000 6.614 14.375 36.143 -99.200 -91.000 TRP 209 1.040 4.223 9.151 23.320 -99.200 -91.000 TRP6 209 1.020 3.469 7.128 24.262 -99.200 -91.000 TYR 210 0.840 11.204 11.962 27.535 -99.200 -91.000 TRP 217 1.040 18.368 -10.826 26.995 -99.200 -91.000 TRP6 217 1.020 17.933 -12.400 28.680 -99.200 -91.000 TYR 227 0.840 8.841 -11.886 34.620 -99.200 -91.000 PHE 229 1.000 15.526 -10.526 31.522 -99.200 -91.000 TYR 230 0.840 11.721 -4.765 26.967 -99.200 -91.000 HIS 232 0.900 18.398 1.655 32.556 -99.200 -91.000 PHE 234 1.000 20.135 8.530 32.344 -99.200 -91.000 TRP 239 1.040 28.873 3.954 22.356 -99.200 -91.000 TRP6 239 1.020 27.112 3.233 20.969 -99.200 -91.000