============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TRP 4 1.040 13.216 -25.715 19.961 -99.200 -91.000 TRP6 4 1.020 13.768 -28.009 19.999 -99.200 -91.000 TYR 16 0.840 18.543 -23.900 10.659 -99.200 -91.000 TYR 17 0.840 20.149 -29.323 4.164 -99.200 -91.000 PHE 19 1.000 16.499 -30.426 15.313 -99.200 -91.000 TYR 20 0.840 14.698 -33.881 7.401 -99.200 -91.000 PHE 24 1.000 11.561 -34.254 12.204 -99.200 -91.000 TYR 27 0.840 18.767 -43.408 6.675 -99.200 -91.000 TYR 33 0.840 16.918 -24.509 6.541 -99.200 -91.000 HIS 35 0.900 15.168 -21.332 14.032 -99.200 -91.000 PHE 36 1.000 7.320 -20.367 12.019 -99.200 -91.000 PHE 44 1.000 4.392 -20.417 17.082 -99.200 -91.000 TYR 49 0.840 14.190 -29.244 9.092 -99.200 -91.000 TRP 56 1.040 11.275 -44.526 4.401 -99.200 -91.000 TRP6 56 1.020 11.069 -45.614 2.306 -99.200 -91.000 PHE 63 1.000 -4.033 -37.394 2.815 -99.200 -91.000 TYR 73 0.840 10.808 -31.025 20.950 -99.200 -91.000 PHE 78 1.000 8.614 -36.071 21.516 -99.200 -91.000 PHE 83 1.000 0.973 -28.608 16.891 -99.200 -91.000 TRP 90 1.040 -3.100 -28.416 2.534 -99.200 -91.000 TRP6 90 1.020 -1.124 -27.348 1.688 -99.200 -91.000 PHE 93 1.000 4.094 -31.588 1.867 -99.200 -91.000 TRP 133 1.040 8.024 -25.464 -8.519 -99.200 -91.000 TRP6 133 1.020 6.936 -25.336 -6.441 -99.200 -91.000 PHE 136 1.000 6.826 -29.014 -2.840 -99.200 -91.000 PHE 140 1.000 7.210 -34.257 -0.389 -99.200 -91.000 TYR 143 0.840 0.886 -35.837 0.422 -99.200 -91.000 PHE 164 1.000 -3.257 -29.563 -12.932 -99.200 -91.000 TYR 165 0.840 3.494 -33.444 -18.338 -99.200 -91.000 TYR 179 0.840 -5.099 -22.510 -19.976 -99.200 -91.000 TYR 191 0.840 -12.256 -23.883 -22.654 -99.200 -91.000 TYR 192 0.840 -10.931 -30.273 -15.909 -99.200 -91.000 TYR 215 0.840 -10.079 -20.398 -27.141 -99.200 -91.000 PHE 219 1.000 -3.101 -32.901 -22.455 -99.200 -91.000 PHE 227 1.000 -12.457 -36.530 -6.558 -99.200 -91.000 TYR 237 0.840 -5.663 -19.872 -10.394 -99.200 -91.000 TYR 240 0.840 -8.999 -15.784 -15.903 -99.200 -91.000