============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 4 1.000 1.190 -15.761 14.680 -99.200 -91.000 PHE 5 1.000 2.040 -8.311 12.166 -99.200 -91.000 PHE 13 1.000 7.675 -8.017 17.412 -99.200 -91.000 TRP 21 1.040 9.879 7.859 26.181 -99.200 -91.000 TRP6 21 1.020 8.812 9.248 24.606 -99.200 -91.000 TYR 40 0.840 -0.925 -5.576 26.671 -99.200 -91.000 HIS 42 0.900 5.952 -6.761 21.391 -99.200 -91.000 TYR 49 0.840 12.092 3.670 26.330 -99.200 -91.000 PHE 63 1.000 9.838 -14.627 33.436 -99.200 -91.000 PHE 74 1.000 9.825 -10.827 20.404 -99.200 -91.000 TRP 80 1.040 21.188 6.545 24.788 -99.200 -91.000 TRP6 80 1.020 19.327 7.350 23.582 -99.200 -91.000 HIS 84 0.900 24.917 3.537 17.830 -99.200 -91.000 TYR 104 0.840 15.703 -15.745 25.769 -99.200 -91.000 TYR 108 0.840 20.547 -4.734 22.643 -99.200 -91.000 HIS 111 0.900 16.036 3.840 21.858 -99.200 -91.000 TRP 112 1.040 16.506 7.471 18.677 -99.200 -91.000 TRP6 112 1.020 15.078 8.799 17.330 -99.200 -91.000 TRP 137 1.040 23.630 -5.486 11.340 -99.200 -91.000 TRP6 137 1.020 21.621 -5.287 12.564 -99.200 -91.000 TYR 144 0.840 20.858 -14.083 14.662 -99.200 -91.000 PHE 157 1.000 19.155 2.205 11.206 -99.200 -91.000 HIS 181 0.900 1.058 8.815 14.114 -99.200 -91.000 TRP 184 1.040 5.471 9.505 9.777 -99.200 -91.000 TRP6 184 1.020 5.602 11.123 8.067 -99.200 -91.000 PHE 192 1.000 13.970 -1.143 1.202 -99.200 -91.000 HIS 199 0.900 6.560 -6.721 12.281 -99.200 -91.000 TYR 203 0.840 8.961 5.600 17.488 -99.200 -91.000 TRP 213 1.040 8.527 16.662 24.570 -99.200 -91.000 TRP6 213 1.020 9.074 15.296 22.749 -99.200 -91.000 TRP 242 1.040 -5.162 2.691 9.998 -99.200 -91.000 TRP6 242 1.020 -2.908 3.299 10.262 -99.200 -91.000 HIS 248 0.900 1.552 -0.554 11.554 -99.200 -91.000 PHE 264 1.000 -3.530 -8.534 24.553 -99.200 -91.000 PHE 267 1.000 -5.185 -9.127 19.652 -99.200 -91.000 TRP 269 1.040 -12.554 -4.647 17.809 -99.200 -91.000 TRP6 269 1.020 -12.111 -2.657 16.619 -99.200 -91.000 TYR 274 0.840 -16.868 3.647 1.850 -99.200 -91.000 PHE 276 1.000 -7.418 -0.341 6.672 -99.200 -91.000 PHE 279 1.000 -9.048 4.760 9.945 -99.200 -91.000 PHE 292 1.000 17.302 12.250 20.263 -99.200 -91.000 HIS 295 0.900 24.350 22.316 16.476 -99.200 -91.000 TYR 301 0.840 22.049 11.707 11.129 -99.200 -91.000 TRP 308 1.040 13.272 11.879 10.427 -99.200 -91.000 TRP6 308 1.020 13.210 9.865 11.641 -99.200 -91.000