============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TRP 14 1.040 44.541 23.883 0.119 -99.200 -91.000 TRP6 14 1.020 42.716 24.100 -1.341 -99.200 -91.000 PHE 19 1.000 61.324 19.038 0.704 -99.200 -91.000 TRP 37 1.040 51.957 37.195 4.063 -99.200 -91.000 TRP6 37 1.020 53.273 37.436 6.015 -99.200 -91.000 HIS 43 0.900 54.784 20.853 15.974 -99.200 -91.000 TYR 47 0.840 59.934 20.085 21.453 -99.200 -91.000 TRP 49 1.040 63.175 16.880 20.596 -99.200 -91.000 TRP6 49 1.020 61.430 16.270 19.119 -99.200 -91.000 PHE 53 1.000 64.811 23.448 11.641 -99.200 -91.000 HIS 65 0.900 57.389 16.937 -4.255 -99.200 -91.000 TYR 70 0.840 64.542 17.617 -6.619 -99.200 -91.000 TYR 84 0.840 56.483 37.994 10.407 -99.200 -91.000 HIS 86 0.900 50.400 33.653 19.528 -99.200 -91.000 TYR 89 0.840 55.433 26.813 20.168 -99.200 -91.000 TRP 91 1.040 59.301 25.852 24.752 -99.200 -91.000 TRP6 91 1.020 60.614 24.414 26.125 -99.200 -91.000 TYR 113 0.840 49.229 20.908 -11.578 -99.200 -91.000 HIS 115 0.900 43.073 29.351 -6.096 -99.200 -91.000 HIS 129 0.900 28.046 22.929 13.902 -99.200 -91.000 PHE 132 1.000 28.369 19.536 10.706 -99.200 -91.000 TRP 139 1.040 54.148 14.202 -0.438 -99.200 -91.000 TRP6 139 1.020 53.300 16.185 -1.357 -99.200 -91.000 TRP 146 1.040 56.513 5.053 20.069 -99.200 -91.000 TRP6 146 1.020 58.416 6.279 20.757 -99.200 -91.000 PHE 183 1.000 40.261 21.471 14.935 -99.200 -91.000 TYR 187 0.840 36.593 7.773 10.938 -99.200 -91.000 PHE 206 1.000 40.148 19.040 10.423 -99.200 -91.000 TYR 212 0.840 26.492 27.347 4.775 -99.200 -91.000 TRP 216 1.040 37.859 22.744 -1.225 -99.200 -91.000 TRP6 216 1.020 37.462 20.741 -0.049 -99.200 -91.000 TYR 217 0.840 35.767 29.471 3.971 -99.200 -91.000 TRP 224 1.040 49.159 18.274 20.734 -99.200 -91.000 TRP6 224 1.020 48.220 16.699 22.211 -99.200 -91.000 TYR 234 0.840 39.307 10.503 19.807 -99.200 -91.000 PHE 236 1.000 43.843 16.527 21.297 -99.200 -91.000 TYR 237 0.840 43.906 17.811 13.339 -99.200 -91.000 HIS 239 0.900 39.250 26.627 16.950 -99.200 -91.000 PHE 241 1.000 36.757 32.535 13.755 -99.200 -91.000 TRP 246 1.040 50.291 36.128 16.109 -99.200 -91.000 TRP6 246 1.020 50.969 34.647 14.375 -99.200 -91.000