============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 2 1.000 -7.030 2.504 4.499 -99.200 -91.000 PHE 3 1.000 -10.499 -0.588 4.925 -99.200 -91.000 PHE 21 1.000 7.365 -1.811 -1.965 -99.200 -91.000 HIS 26 0.900 -6.473 -8.292 4.000 -99.200 -91.000 TRP 32 1.040 -7.301 -0.255 9.471 -99.200 -91.000 TRP6 32 1.020 -4.968 -0.044 9.784 -99.200 -91.000 PHE 33 1.000 -2.444 -8.420 10.448 -99.200 -91.000 PHE 37 1.000 10.274 -5.034 5.012 -99.200 -91.000 PHE 47 1.000 12.778 -2.952 1.139 -99.200 -91.000 PHE 51 1.000 16.183 -1.060 4.578 -99.200 -91.000 PHE 52 1.000 16.362 -6.267 4.051 -99.200 -91.000 PHE 63 1.000 -0.395 10.536 17.529 -99.200 -91.000 HIS 73 0.900 14.376 17.067 7.551 -99.200 -91.000 TRP 77 1.040 19.030 7.352 7.727 -99.200 -91.000 TRP6 77 1.020 20.511 8.349 9.273 -99.200 -91.000 TYR 80 0.840 8.377 -0.225 3.746 -99.200 -91.000 TRP 93 1.040 9.590 10.986 -0.862 -99.200 -91.000 TRP6 93 1.020 7.298 10.474 -1.096 -99.200 -91.000 PHE 102 1.000 20.244 18.956 -7.382 -99.200 -91.000 TYR 106 0.840 5.409 9.631 -6.655 -99.200 -91.000 PHE 117 1.000 14.356 1.531 -0.691 -99.200 -91.000 PHE 126 1.000 5.680 13.871 8.088 -99.200 -91.000 PHE 132 1.000 -4.015 14.489 16.944 -99.200 -91.000 TYR 135 0.840 6.437 9.764 8.086 -99.200 -91.000 TYR 137 0.840 11.459 7.436 9.891 -99.200 -91.000 TYR 142 0.840 22.177 1.178 13.764 -99.200 -91.000 TRP 143 1.040 22.832 11.629 14.036 -99.200 -91.000 TRP6 143 1.020 24.700 12.432 15.217 -99.200 -91.000 TYR 151 0.840 22.113 13.893 8.507 -99.200 -91.000 PHE 153 1.000 19.466 18.783 6.479 -99.200 -91.000 TYR 156 0.840 8.157 24.992 4.366 -99.200 -91.000 TRP 165 1.040 4.888 21.800 0.740 -99.200 -91.000 TRP6 165 1.020 5.427 19.660 1.572 -99.200 -91.000 HIS 180 0.900 16.450 22.214 6.550 -99.200 -91.000 PHE 182 1.000 14.075 29.493 -1.406 -99.200 -91.000