============================================================================= 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. PHE 27 1.000 -51.389 44.644 57.186 -99.200 -91.000 PHE 29 1.000 -51.817 50.753 56.106 -99.200 -91.000 TYR 32 0.840 -50.154 44.755 62.285 -99.200 -91.000 TRP 36 1.040 -42.185 53.666 52.196 -99.200 -91.000 TRP6 36 1.020 -42.733 52.624 50.169 -99.200 -91.000 TRP 47 1.040 -35.842 52.988 58.857 -99.200 -91.000 TRP6 47 1.020 -35.174 54.879 60.088 -99.200 -91.000 TYR 57 0.840 -45.504 60.207 68.057 -99.200 -91.000 TYR 59 0.840 -40.003 57.811 65.002 -99.200 -91.000 TYR 60 0.840 -39.085 60.949 57.558 -99.200 -91.000 PHE 68 1.000 -36.163 59.934 50.007 -99.200 -91.000 TYR 80 0.840 -50.284 57.517 49.584 -99.200 -91.000 TYR 93 0.840 -36.306 53.884 47.344 -99.200 -91.000 TYR 94 0.840 -37.396 45.298 48.456 -99.200 -91.000 TYR 101 0.840 -49.071 40.089 69.266 -99.200 -91.000 PHE 106 1.000 -36.917 47.713 59.088 -99.200 -91.000 TYR 108 0.840 -46.126 39.011 57.264 -99.200 -91.000 TRP 109 1.040 -38.712 42.993 54.277 -99.200 -91.000 TRP6 109 1.020 -36.816 44.215 53.757 -99.200 -91.000 TYR 128 0.840 -25.050 44.755 18.376 -99.200 -91.000 TYR 145 0.840 -30.237 47.227 29.251 -99.200 -91.000 PHE 146 1.000 -30.421 54.867 32.403 -99.200 -91.000 TRP 154 1.040 -30.560 32.162 25.718 -99.200 -91.000 TRP6 154 1.020 -29.467 32.724 23.737 -99.200 -91.000 HIS 164 0.900 -23.826 29.734 32.640 -99.200 -91.000 PHE 166 1.000 -22.376 35.730 31.863 -99.200 -91.000 TYR 175 0.840 -28.171 49.772 33.780 -99.200 -91.000 TRP 188 1.040 -26.850 27.400 16.090 -99.200 -91.000 TRP6 188 1.020 -24.620 27.707 15.478 -99.200 -91.000 HIS 199 0.900 -35.236 49.206 27.613 -99.200 -91.000