============================================================================= 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 32.798 13.417 43.897 -99.200 -91.000 TRP6 14 1.020 32.769 13.918 41.594 -99.200 -91.000 PHE 19 1.000 26.150 14.976 61.999 -99.200 -91.000 TRP 37 1.040 24.751 0.154 46.267 -99.200 -91.000 TRP6 37 1.020 25.070 -1.221 48.172 -99.200 -91.000 HIS 43 0.900 40.191 4.124 59.085 -99.200 -91.000 TYR 47 0.840 42.075 0.408 63.464 -99.200 -91.000 TRP 49 1.040 42.656 3.543 67.751 -99.200 -91.000 TRP6 49 1.020 43.069 4.960 65.916 -99.200 -91.000 PHE 53 1.000 31.296 4.546 65.102 -99.200 -91.000 HIS 65 0.900 30.977 25.007 50.041 -99.200 -91.000 TYR 70 0.840 19.261 21.575 57.479 -99.200 -91.000 TYR 84 0.840 26.190 -5.638 52.121 -99.200 -91.000 HIS 86 0.900 37.724 -7.483 50.469 -99.200 -91.000 TYR 89 0.840 39.123 -3.363 57.835 -99.200 -91.000 TRP 91 1.040 40.354 -5.699 62.303 -99.200 -91.000 TRP6 91 1.020 41.000 -5.720 64.582 -99.200 -91.000 TYR 113 0.840 24.255 23.049 44.857 -99.200 -91.000 HIS 115 0.900 25.956 13.276 38.416 -99.200 -91.000 HIS 129 0.900 50.476 5.199 33.397 -99.200 -91.000 PHE 132 1.000 49.611 10.664 34.166 -99.200 -91.000 TRP 139 1.040 33.308 19.431 55.091 -99.200 -91.000 TRP6 139 1.020 32.062 17.959 53.746 -99.200 -91.000 TRP 146 1.040 45.313 22.674 67.142 -99.200 -91.000 TRP6 146 1.020 44.627 20.632 66.189 -99.200 -91.000 PHE 183 1.000 46.009 5.700 44.833 -99.200 -91.000 TYR 187 0.840 52.856 18.256 45.536 -99.200 -91.000 PHE 206 1.000 44.297 10.420 44.673 -99.200 -91.000 TYR 212 0.840 42.637 9.469 26.839 -99.200 -91.000 TRP 216 1.040 35.930 15.776 37.810 -99.200 -91.000 TRP6 216 1.020 38.086 16.072 38.717 -99.200 -91.000 TYR 217 0.840 36.402 7.517 34.835 -99.200 -91.000 TRP 224 1.040 47.833 3.017 55.419 -99.200 -91.000 TRP6 224 1.020 50.127 3.315 55.880 -99.200 -91.000 TYR 234 0.840 55.858 10.406 49.837 -99.200 -91.000 PHE 236 1.000 51.296 4.304 52.288 -99.200 -91.000 TYR 237 0.840 45.494 9.096 49.216 -99.200 -91.000 HIS 239 0.900 44.808 0.320 42.617 -99.200 -91.000 PHE 241 1.000 41.119 -1.874 37.590 -99.200 -91.000 TRP 246 1.040 33.803 -6.697 48.358 -99.200 -91.000 TRP6 246 1.020 33.498 -4.643 49.494 -99.200 -91.000