============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 27 0.840 6.178 69.161 64.169 -99.200 -91.000 PHE 29 1.000 10.173 74.399 64.720 -99.200 -91.000 TYR 32 0.840 4.062 67.566 68.597 -99.200 -91.000 TRP 36 1.040 18.894 67.766 67.507 -99.200 -91.000 TRP6 36 1.020 19.805 67.258 65.394 -99.200 -91.000 TRP 47 1.040 17.940 63.160 75.364 -99.200 -91.000 TRP6 47 1.020 18.460 64.629 77.129 -99.200 -91.000 TYR 60 0.840 22.925 71.316 75.006 -99.200 -91.000 PHE 64 1.000 26.796 63.854 73.330 -99.200 -91.000 TYR 80 0.840 19.971 75.573 61.676 -99.200 -91.000 TYR 93 0.840 25.959 62.787 65.780 -99.200 -91.000 PHE 94 1.000 18.548 57.727 64.012 -99.200 -91.000 PHE 99 1.000 1.100 67.402 72.845 -99.200 -91.000 TYR 100 0.840 5.764 72.682 77.115 -99.200 -91.000 TYR 102 0.840 -1.109 66.459 78.843 -99.200 -91.000 PHE 106 1.000 12.564 61.275 72.724 -99.200 -91.000 TYR 108 0.840 4.327 60.732 63.593 -99.200 -91.000 TRP 109 1.040 12.252 58.660 66.555 -99.200 -91.000 TRP6 109 1.020 14.243 58.086 67.619 -99.200 -91.000 TYR 128 0.840 33.831 49.749 37.207 -99.200 -91.000 TYR 151 0.840 31.186 53.890 47.979 -99.200 -91.000 PHE 152 1.000 36.347 58.201 53.453 -99.200 -91.000 TRP 160 1.040 18.903 47.901 41.185 -99.200 -91.000 TRP6 160 1.020 20.195 47.281 39.358 -99.200 -91.000 HIS 170 0.900 18.473 40.205 48.289 -99.200 -91.000 PHE 172 1.000 24.109 41.557 48.702 -99.200 -91.000 TYR 181 0.840 33.207 53.088 52.982 -99.200 -91.000 TRP 194 1.040 18.430 43.341 31.102 -99.200 -91.000 TRP6 194 1.020 19.778 41.655 30.278 -99.200 -91.000 HIS 205 0.900 30.650 59.557 46.845 -99.200 -91.000