============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 4 0.840 10.188 -24.834 15.240 -99.200 -91.000 PHE 13 1.000 31.284 -8.869 17.137 -99.200 -91.000 PHE 18 1.000 39.721 -2.982 7.558 -99.200 -91.000 HIS 19 0.900 37.729 4.246 7.187 -99.200 -91.000 PHE 24 1.000 31.254 -7.742 3.370 -99.200 -91.000 TYR 31 0.840 21.405 -9.778 -0.312 -99.200 -91.000 PHE 32 1.000 24.798 -14.042 4.471 -99.200 -91.000 HIS 38 0.900 32.049 0.130 13.183 -99.200 -91.000 PHE 41 1.000 38.312 -7.557 15.664 -99.200 -91.000 TRP 54 1.040 26.430 -10.657 18.905 -99.200 -91.000 TRP6 54 1.020 26.286 -12.421 17.324 -99.200 -91.000 TYR 58 0.840 21.758 -12.038 18.894 -99.200 -91.000 PHE 72 1.000 39.512 -11.882 19.394 -99.200 -91.000 TYR 85 0.840 18.019 -21.021 21.976 -99.200 -91.000 PHE 86 1.000 14.988 -27.330 17.889 -99.200 -91.000 TRP 90 1.040 11.357 -34.937 23.124 -99.200 -91.000 TRP6 90 1.020 12.750 -35.191 21.231 -99.200 -91.000 PHE 94 1.000 11.135 -39.937 25.059 -99.200 -91.000 PHE 102 1.000 16.367 -49.260 30.379 -99.200 -91.000 PHE 104 1.000 25.252 -45.334 24.922 -99.200 -91.000 TYR 118 0.840 8.273 -47.098 27.783 -99.200 -91.000 PHE 123 1.000 7.661 -41.420 19.056 -99.200 -91.000 TYR 124 0.840 7.050 -38.587 11.005 -99.200 -91.000 TYR 125 0.840 10.950 -48.756 13.570 -99.200 -91.000 PHE 128 1.000 15.507 -47.054 5.864 -99.200 -91.000 TYR 138 0.840 20.655 -48.621 8.694 -99.200 -91.000 TYR 145 0.840 12.610 -31.405 18.469 -99.200 -91.000 TRP 178 1.040 18.277 -41.567 7.624 -99.200 -91.000 TRP6 178 1.020 18.999 -43.719 7.028 -99.200 -91.000 TYR 190 0.840 12.277 -48.953 26.379 -99.200 -91.000 PHE 194 1.000 21.767 -37.072 23.704 -99.200 -91.000 PHE 214 1.000 42.886 -19.060 3.204 -99.200 -91.000 HIS 220 0.900 30.145 -25.311 14.511 -99.200 -91.000