============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 5 1.000 1.607 -18.703 35.319 -99.200 -91.000 HIS 7 0.900 -0.606 -11.487 43.717 -99.200 -91.000 PHE 9 1.000 1.649 -8.211 45.395 -99.200 -91.000 PHE 14 1.000 6.099 -15.858 38.060 -99.200 -91.000 PHE 23 1.000 -6.619 -21.272 28.880 -99.200 -91.000 PHE 35 1.000 -21.334 -28.503 20.611 -99.200 -91.000 PHE 49 1.000 -32.897 -28.564 14.212 -99.200 -91.000 PHE 64 1.000 -26.948 -16.910 26.442 -99.200 -91.000 HIS 73 0.900 -26.250 -19.334 42.851 -99.200 -91.000 HIS 102 0.900 -26.436 -29.673 24.963 -99.200 -91.000 PHE 103 1.000 -32.451 -34.266 18.640 -99.200 -91.000 HIS 132 0.900 9.369 -11.021 17.771 -99.200 -91.000 HIS 146 0.900 32.778 -11.638 16.253 -99.200 -91.000 TYR 152 0.840 32.171 -22.287 32.879 -99.200 -91.000 TRP 170 1.040 20.914 -20.773 25.008 -99.200 -91.000 TRP6 170 1.020 22.089 -18.730 24.883 -99.200 -91.000 HIS 177 0.900 10.837 -27.698 21.786 -99.200 -91.000 PHE 184 1.000 -1.960 -31.186 19.270 -99.200 -91.000 PHE 189 1.000 -5.096 -27.196 18.834 -99.200 -91.000 PHE 193 1.000 -22.467 -33.952 17.683 -99.200 -91.000 TRP 226 1.040 -11.958 -35.872 21.043 -99.200 -91.000 TRP6 226 1.020 -11.314 -34.304 22.686 -99.200 -91.000 HIS 227 0.900 -18.090 -37.875 24.888 -99.200 -91.000 PHE 236 1.000 -1.941 -27.625 23.286 -99.200 -91.000 PHE 250 1.000 17.729 -17.510 26.672 -99.200 -91.000 PHE 281 1.000 3.005 -24.262 37.093 -99.200 -91.000 HIS 290 0.900 1.804 -38.166 29.976 -99.200 -91.000 TRP 304 1.040 -13.761 -33.546 31.051 -99.200 -91.000 TRP6 304 1.020 -16.081 -33.206 31.339 -99.200 -91.000 TRP 308 1.040 -12.754 -29.655 33.529 -99.200 -91.000 TRP6 308 1.020 -14.810 -29.665 34.690 -99.200 -91.000