============================================================================= 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 -90.059 38.124 -37.626 -99.200 -91.000 PHE 29 1.000 -86.897 40.020 -32.257 -99.200 -91.000 TRP 36 1.040 -80.263 47.231 -37.048 -99.200 -91.000 TRP6 36 1.020 -81.845 48.941 -37.356 -99.200 -91.000 TRP 47 1.040 -75.164 42.404 -42.841 -99.200 -91.000 TRP6 47 1.020 -73.371 41.790 -41.441 -99.200 -91.000 TYR 52 0.840 -78.023 34.451 -35.492 -99.200 -91.000 TYR 54 0.840 -82.130 30.200 -28.158 -99.200 -91.000 PHE 57 1.000 -72.693 34.789 -32.341 -99.200 -91.000 TYR 59 0.840 -71.118 36.453 -36.797 -99.200 -91.000 TYR 60 0.840 -71.691 44.301 -33.660 -99.200 -91.000 PHE 68 1.000 -72.755 52.536 -36.564 -99.200 -91.000 TYR 80 0.840 -84.415 48.535 -28.712 -99.200 -91.000 TYR 94 0.840 -77.702 53.923 -40.524 -99.200 -91.000 TYR 95 0.840 -83.624 50.672 -46.559 -99.200 -91.000 TYR 102 0.840 -80.106 31.125 -49.470 -99.200 -91.000 TYR 106 0.840 -74.508 28.484 -47.826 -99.200 -91.000 TYR 110 0.840 -91.908 39.202 -45.310 -99.200 -91.000 TRP 111 1.040 -85.058 43.884 -47.348 -99.200 -91.000 TRP6 111 1.020 -82.897 44.818 -47.338 -99.200 -91.000 PHE 130 1.000 -93.045 80.356 -50.416 -99.200 -91.000 TYR 148 0.840 -86.367 70.612 -47.347 -99.200 -91.000 PHE 149 1.000 -79.223 70.148 -42.728 -99.200 -91.000 TRP 157 1.040 -99.360 66.744 -55.400 -99.200 -91.000 TRP6 157 1.020 -99.771 69.053 -55.617 -99.200 -91.000 HIS 167 0.900 -93.425 63.265 -63.391 -99.200 -91.000 PHE 169 1.000 -89.056 67.718 -60.941 -99.200 -91.000 TYR 179 0.840 -80.595 68.990 -48.465 -99.200 -91.000 TYR 197 0.840 -106.120 69.444 -59.052 -99.200 -91.000 HIS 203 0.900 -88.125 69.419 -42.442 -99.200 -91.000