============================================================================= 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 16.551 9.231 -3.620 -99.200 -91.000 TRP6 14 1.020 15.835 8.271 -5.652 -99.200 -91.000 PHE 19 1.000 17.720 7.644 13.646 -99.200 -91.000 TRP 37 1.040 31.886 7.272 -0.825 -99.200 -91.000 TRP6 37 1.020 33.166 8.666 0.598 -99.200 -91.000 HIS 43 0.900 22.262 22.489 8.900 -99.200 -91.000 TYR 47 0.840 25.090 26.306 14.194 -99.200 -91.000 TRP 49 1.040 22.195 26.057 18.572 -99.200 -91.000 TRP6 49 1.020 20.587 25.415 16.961 -99.200 -91.000 PHE 53 1.000 26.449 15.130 16.763 -99.200 -91.000 HIS 65 0.900 6.342 4.289 3.981 -99.200 -91.000 TYR 70 0.840 14.054 -3.470 12.651 -99.200 -91.000 TYR 84 0.840 36.364 12.060 3.994 -99.200 -91.000 HIS 86 0.900 33.839 22.907 0.477 -99.200 -91.000 TYR 89 0.840 29.418 24.323 7.817 -99.200 -91.000 TRP 91 1.040 31.378 27.371 12.012 -99.200 -91.000 TRP6 91 1.020 31.269 28.855 13.874 -99.200 -91.000 PHE 110 1.000 23.167 0.255 -4.354 -99.200 -91.000 TYR 113 0.840 11.297 -2.564 0.176 -99.200 -91.000 HIS 115 0.900 18.664 1.843 -7.574 -99.200 -91.000 TYR 132 0.840 11.968 24.428 -15.376 -99.200 -91.000 TRP 139 1.040 10.157 9.625 8.769 -99.200 -91.000 TRP6 139 1.020 11.761 8.676 7.313 -99.200 -91.000 PHE 174 1.000 18.630 24.862 -5.231 -99.200 -91.000 TYR 178 0.840 4.168 25.605 -3.586 -99.200 -91.000 PHE 197 1.000 14.649 21.192 -4.703 -99.200 -91.000 PHE 203 1.000 17.532 13.764 -23.523 -99.200 -91.000 TRP 207 1.040 13.017 10.176 -9.507 -99.200 -91.000 TRP6 207 1.020 11.599 11.931 -8.801 -99.200 -91.000 TYR 208 0.840 20.005 13.262 -13.326 -99.200 -91.000 TRP 215 1.040 19.297 27.342 10.579 -99.200 -91.000 TRP6 215 1.020 20.886 26.481 12.097 -99.200 -91.000 TYR 225 0.840 10.427 32.461 -0.859 -99.200 -91.000 PHE 227 1.000 18.369 31.033 1.213 -99.200 -91.000 TYR 228 0.840 15.921 23.404 -0.525 -99.200 -91.000 HIS 230 0.900 23.845 24.852 -8.104 -99.200 -91.000 PHE 232 1.000 27.331 21.145 -12.699 -99.200 -91.000 TRP 237 1.040 34.733 19.140 -1.062 -99.200 -91.000 TRP6 237 1.020 33.001 18.000 0.092 -99.200 -91.000 PHE 245 1.000 40.534 11.169 1.956 -99.200 -91.000