============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 27 0.840 52.186 -2.687 -21.469 -99.200 -91.000 PHE 29 1.000 53.523 1.268 -26.689 -99.200 -91.000 TYR 32 0.840 55.635 -1.623 -17.920 -99.200 -91.000 TRP 36 1.040 60.720 -5.461 -31.928 -99.200 -91.000 TRP6 36 1.020 58.730 -6.248 -32.881 -99.200 -91.000 TRP 47 1.040 67.205 -8.502 -26.692 -99.200 -91.000 TRP6 47 1.020 68.717 -6.715 -27.058 -99.200 -91.000 TRP 50 1.040 66.451 -1.801 -25.282 -99.200 -91.000 TRP6 50 1.020 65.452 -0.372 -23.701 -99.200 -91.000 TYR 54 0.840 58.953 8.074 -19.783 -99.200 -91.000 PHE 60 1.000 68.132 -1.459 -34.245 -99.200 -91.000 PHE 64 1.000 69.183 -9.757 -35.301 -99.200 -91.000 PHE 68 1.000 67.394 -6.891 -39.119 -99.200 -91.000 PHE 70 1.000 63.975 -2.662 -32.711 -99.200 -91.000 PHE 71 1.000 60.265 2.906 -38.263 -99.200 -91.000 TYR 80 0.840 53.785 -0.031 -36.289 -99.200 -91.000 TYR 93 0.840 61.958 -11.664 -37.730 -99.200 -91.000 PHE 94 1.000 58.278 -15.586 -30.694 -99.200 -91.000 TRP 103 1.040 68.160 -3.897 -16.010 -99.200 -91.000 TRP6 103 1.020 70.501 -3.803 -15.696 -99.200 -91.000 TYR 107 0.840 52.811 -10.434 -18.671 -99.200 -91.000 TRP 108 1.040 58.372 -13.490 -24.143 -99.200 -91.000 TRP6 108 1.020 60.190 -13.820 -25.606 -99.200 -91.000 PHE 127 1.000 41.314 -32.212 -51.701 -99.200 -91.000 TYR 150 0.840 50.169 -25.312 -46.531 -99.200 -91.000 PHE 151 1.000 56.451 -20.967 -50.534 -99.200 -91.000 TRP 159 1.040 39.269 -30.083 -36.389 -99.200 -91.000 TRP6 159 1.020 38.216 -31.370 -38.067 -99.200 -91.000 HIS 169 0.900 46.724 -35.886 -31.595 -99.200 -91.000 PHE 171 1.000 49.308 -35.915 -37.443 -99.200 -91.000 TYR 181 0.840 55.930 -25.843 -46.449 -99.200 -91.000 TYR 199 0.840 32.268 -34.152 -35.084 -99.200 -91.000 HIS 205 0.900 48.298 -20.232 -47.290 -99.200 -91.000