============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 32.595 -29.455 28.503 -99.200 -91.000 TRP6 14 1.020 33.829 -31.128 27.355 -99.200 -91.000 TRP 18 1.040 37.388 -33.444 33.600 -99.200 -91.000 TRP6 18 1.020 39.469 -34.547 33.582 -99.200 -91.000 HIS 22 0.900 30.771 -41.032 31.818 -99.200 -91.000 PHE 25 1.000 38.566 -35.175 28.045 -99.200 -91.000 HIS 26 0.900 44.801 -37.900 29.660 -99.200 -91.000 HIS 31 0.900 48.083 -34.147 18.972 -99.200 -91.000 HIS 37 0.900 54.646 -30.837 12.825 -99.200 -91.000 PHE 41 1.000 54.085 -24.325 19.311 -99.200 -91.000 PHE 51 1.000 45.370 -19.932 27.447 -99.200 -91.000 PHE 52 1.000 49.519 -27.085 26.799 -99.200 -91.000 TRP 63 1.040 55.397 -34.123 26.770 -99.200 -91.000 TRP6 63 1.020 54.415 -34.507 24.672 -99.200 -91.000 PHE 64 1.000 54.937 -26.702 24.810 -99.200 -91.000 HIS 69 0.900 60.122 -23.350 26.352 -99.200 -91.000 PHE 84 1.000 49.759 -31.156 34.502 -99.200 -91.000 PHE 85 1.000 49.438 -28.899 39.221 -99.200 -91.000 TYR 92 0.840 48.071 -29.686 43.575 -99.200 -91.000 PHE 106 1.000 43.541 -25.937 42.159 -99.200 -91.000 TYR 116 0.840 45.194 -18.375 35.970 -99.200 -91.000 PHE 121 1.000 33.569 -19.210 26.199 -99.200 -91.000 PHE 131 1.000 49.541 -16.933 28.071 -99.200 -91.000 TRP 135 1.040 48.634 -28.578 22.389 -99.200 -91.000 TRP6 135 1.020 48.952 -29.381 20.191 -99.200 -91.000 HIS 148 0.900 33.307 -22.872 16.529 -99.200 -91.000 TYR 151 0.840 38.678 -21.155 21.823 -99.200 -91.000 PHE 163 1.000 50.041 -14.892 16.521 -99.200 -91.000 TYR 165 0.840 45.599 -20.683 17.864 -99.200 -91.000 TYR 172 0.840 32.935 -35.330 13.577 -99.200 -91.000 HIS 177 0.900 30.383 -37.472 17.991 -99.200 -91.000 PHE 182 1.000 30.242 -29.357 19.757 -99.200 -91.000 TYR 183 0.840 33.324 -30.711 9.703 -99.200 -91.000 PHE 193 1.000 41.445 -18.488 15.627 -99.200 -91.000 HIS 212 0.900 37.688 -41.877 16.952 -99.200 -91.000 TRP 215 1.040 32.581 -41.574 18.503 -99.200 -91.000 TRP6 215 1.020 33.589 -39.448 18.200 -99.200 -91.000 TYR 219 0.840 34.421 -38.509 6.441 -99.200 -91.000 PHE 221 1.000 40.587 -38.091 6.034 -99.200 -91.000 TYR 225 0.840 44.560 -26.047 9.080 -99.200 -91.000