============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TRP 14 1.040 25.658 13.868 47.845 -99.200 -91.000 TRP6 14 1.020 27.222 15.516 48.467 -99.200 -91.000 HIS 20 0.900 32.025 2.677 45.779 -99.200 -91.000 PHE 22 1.000 38.793 3.545 44.369 -99.200 -91.000 TYR 27 0.840 39.622 9.074 53.018 -99.200 -91.000 PHE 36 1.000 46.031 6.028 44.959 -99.200 -91.000 TYR 38 0.840 40.497 1.931 35.886 -99.200 -91.000 TYR 39 0.840 40.432 7.883 42.296 -99.200 -91.000 TYR 44 0.840 47.319 15.714 35.557 -99.200 -91.000 TYR 46 0.840 36.232 14.574 37.375 -99.200 -91.000 PHE 50 1.000 35.905 20.261 38.866 -99.200 -91.000 TYR 75 0.840 46.603 29.516 39.009 -99.200 -91.000 TYR 85 0.840 44.473 13.474 41.808 -99.200 -91.000 TYR 111 0.840 31.160 13.622 37.225 -99.200 -91.000 TYR 114 0.840 25.156 16.753 33.662 -99.200 -91.000 PHE 124 1.000 28.847 31.629 37.775 -99.200 -91.000 TYR 125 0.840 24.308 32.681 40.648 -99.200 -91.000 PHE 135 1.000 35.898 22.328 43.701 -99.200 -91.000 TRP 136 1.040 29.476 19.765 50.675 -99.200 -91.000 TRP6 136 1.020 27.280 20.602 50.494 -99.200 -91.000 TYR 138 0.840 36.932 13.107 45.458 -99.200 -91.000 HIS 145 0.900 34.869 6.334 55.116 -99.200 -91.000 HIS 155 0.900 54.080 9.070 51.606 -99.200 -91.000 TYR 157 0.840 46.293 3.317 49.079 -99.200 -91.000 TRP 160 1.040 43.444 10.712 46.729 -99.200 -91.000 TRP6 160 1.020 41.562 10.231 48.070 -99.200 -91.000 TYR 164 0.840 40.819 15.051 48.175 -99.200 -91.000 TYR 169 0.840 38.817 19.889 48.496 -99.200 -91.000 TRP 191 1.040 17.812 17.275 43.828 -99.200 -91.000 TRP6 191 1.020 16.230 15.755 42.958 -99.200 -91.000 TYR 193 0.840 20.878 22.070 35.673 -99.200 -91.000 PHE 194 1.000 24.275 19.177 45.300 -99.200 -91.000 TYR 200 0.840 27.153 11.594 34.794 -99.200 -91.000 PHE 204 1.000 35.915 9.042 38.189 -99.200 -91.000 TRP 205 1.040 33.727 7.920 44.800 -99.200 -91.000 TRP6 205 1.020 36.046 8.065 45.262 -99.200 -91.000 TYR 209 0.840 35.472 -2.204 45.216 -99.200 -91.000 HIS 212 0.900 34.001 -3.297 33.958 -99.200 -91.000