============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 5 1.000 21.622 -19.939 45.630 -99.200 -91.000 PHE 7 1.000 22.393 -13.543 47.681 -99.200 -91.000 PHE 23 1.000 17.976 -17.219 48.194 -99.200 -91.000 PHE 25 1.000 14.256 -17.409 59.177 -99.200 -91.000 HIS 34 0.900 20.545 -30.034 58.456 -99.200 -91.000 PHE 44 1.000 36.206 -3.835 61.708 -99.200 -91.000 TYR 49 0.840 21.265 -6.988 57.874 -99.200 -91.000 HIS 55 0.900 29.473 -18.711 67.099 -99.200 -91.000 HIS 79 0.900 24.756 -25.241 65.878 -99.200 -91.000 PHE 93 1.000 42.548 -4.057 60.276 -99.200 -91.000 HIS 109 0.900 36.130 -28.275 47.285 -99.200 -91.000 PHE 114 1.000 31.081 -31.573 56.426 -99.200 -91.000 TYR 115 0.840 26.120 -26.572 56.704 -99.200 -91.000 TYR 117 0.840 19.289 -24.925 48.685 -99.200 -91.000 PHE 122 1.000 31.934 -13.955 47.075 -99.200 -91.000 HIS 128 0.900 42.796 -10.217 50.913 -99.200 -91.000 TRP 132 1.040 42.729 -17.210 46.808 -99.200 -91.000 TRP6 132 1.020 44.095 -19.105 46.463 -99.200 -91.000 HIS 136 0.900 35.372 -23.816 46.260 -99.200 -91.000 PHE 164 1.000 36.134 -12.290 38.605 -99.200 -91.000 TRP 233 1.040 15.032 -15.644 44.800 -99.200 -91.000 TRP6 233 1.020 16.505 -14.051 45.744 -99.200 -91.000 HIS 236 0.900 7.060 -20.549 43.219 -99.200 -91.000