============================================================================= 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. TYR 37 0.840 -14.397 12.748 41.478 -99.200 -91.000 TRP 40 1.040 -3.978 4.058 39.252 -99.200 -91.000 TRP6 40 1.020 -1.633 4.339 39.060 -99.200 -91.000 TYR 41 0.840 -7.304 6.284 31.900 -99.200 -91.000 TYR 54 0.840 -14.876 3.663 37.990 -99.200 -91.000 TRP 55 1.040 -15.808 7.404 41.416 -99.200 -91.000 TRP6 55 1.020 -17.776 6.121 41.651 -99.200 -91.000 PHE 67 1.000 -4.196 -5.320 35.866 -99.200 -91.000 PHE 76 1.000 -4.669 9.499 44.937 -99.200 -91.000 TYR 91 0.840 0.232 -1.160 33.927 -99.200 -91.000 TYR 92 0.840 1.217 6.765 30.122 -99.200 -91.000 TYR 97 0.840 -10.763 18.014 43.414 -99.200 -91.000 PHE 103 1.000 -3.878 11.464 30.456 -99.200 -91.000 PHE 123 1.000 17.360 -14.939 6.523 -99.200 -91.000 PHE 140 1.000 14.979 -11.254 10.082 -99.200 -91.000 PHE 144 1.000 17.716 -10.562 21.790 -99.200 -91.000 TYR 145 0.840 15.166 -11.474 30.245 -99.200 -91.000 TRP 153 1.040 26.102 -6.679 10.168 -99.200 -91.000 TRP6 153 1.020 25.291 -8.327 8.680 -99.200 -91.000 TRP 168 1.040 17.640 -3.535 19.225 -99.200 -91.000 TRP6 168 1.020 18.253 -1.490 18.203 -99.200 -91.000 TYR 178 0.840 13.259 -7.567 25.873 -99.200 -91.000 TYR 191 0.840 26.912 -9.228 -1.879 -99.200 -91.000 HIS 194 0.900 34.773 -6.684 0.239 -99.200 -91.000 TYR 197 0.840 29.558 -9.909 2.137 -99.200 -91.000 HIS 203 0.900 21.708 -12.828 25.298 -99.200 -91.000 PHE 214 1.000 25.983 -14.349 2.810 -99.200 -91.000