============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 8.196 7.368 18.383 -99.200 -91.000 TRP6 14 1.020 6.900 9.218 19.079 -99.200 -91.000 PHE 19 1.000 12.649 -4.264 3.020 -99.200 -91.000 TRP 37 1.040 22.813 11.483 14.298 -99.200 -91.000 TRP6 37 1.020 24.607 9.938 14.217 -99.200 -91.000 HIS 43 0.900 19.119 -7.926 19.222 -99.200 -91.000 TYR 47 0.840 23.535 -13.037 18.836 -99.200 -91.000 TRP 49 1.040 21.414 -16.551 16.353 -99.200 -91.000 TRP6 49 1.020 19.500 -15.283 16.917 -99.200 -91.000 PHE 53 1.000 22.274 -7.893 8.385 -99.200 -91.000 HIS 65 0.900 -1.048 1.406 9.918 -99.200 -91.000 TYR 70 0.840 7.156 2.627 -2.105 -99.200 -91.000 TYR 84 0.840 29.131 6.443 14.052 -99.200 -91.000 HIS 86 0.900 28.675 1.059 24.635 -99.200 -91.000 TYR 89 0.840 26.304 -6.224 20.843 -99.200 -91.000 TRP 91 1.040 29.874 -9.870 20.002 -99.200 -91.000 TRP6 91 1.020 30.881 -11.993 19.688 -99.200 -91.000 PHE 110 1.000 11.907 15.860 11.715 -99.200 -91.000 TYR 113 0.840 1.049 10.266 7.376 -99.200 -91.000 HIS 115 0.900 7.769 15.366 15.493 -99.200 -91.000 TYR 132 0.840 5.602 5.426 37.602 -99.200 -91.000 TRP 139 1.040 5.608 -2.871 10.808 -99.200 -91.000 TRP6 139 1.020 7.124 -1.080 11.012 -99.200 -91.000 PHE 177 1.000 13.422 -0.555 30.590 -99.200 -91.000 TYR 181 0.840 0.232 -6.316 31.814 -99.200 -91.000 PHE 200 1.000 9.100 0.125 28.073 -99.200 -91.000 PHE 206 1.000 6.789 14.675 36.091 -99.200 -91.000 TRP 210 1.040 4.060 10.147 23.133 -99.200 -91.000 TRP6 210 1.020 3.300 8.123 24.098 -99.200 -91.000 TYR 211 0.840 11.183 12.787 27.480 -99.200 -91.000 TRP 218 1.040 18.307 -9.756 27.109 -99.200 -91.000 TRP6 218 1.020 17.705 -11.227 28.852 -99.200 -91.000 TYR 228 0.840 8.356 -10.781 34.234 -99.200 -91.000 PHE 230 1.000 15.259 -9.385 31.317 -99.200 -91.000 TYR 231 0.840 11.521 -3.964 26.549 -99.200 -91.000 HIS 233 0.900 18.255 2.614 32.348 -99.200 -91.000 PHE 235 1.000 20.194 9.212 32.286 -99.200 -91.000 TRP 240 1.040 28.539 4.769 22.347 -99.200 -91.000 TRP6 240 1.020 26.760 4.104 20.935 -99.200 -91.000 PHE 248 1.000 32.296 9.403 14.820 -99.200 -91.000