============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 10 0.840 -6.804 -36.420 -38.418 -99.200 -91.000 TYR 25 0.840 -28.920 -37.302 -39.697 -99.200 -91.000 PHE 26 1.000 -34.448 -29.677 -35.097 -99.200 -91.000 HIS 28 0.900 -32.450 -34.063 -44.892 -99.200 -91.000 PHE 32 1.000 -37.933 -36.870 -44.106 -99.200 -91.000 TRP 35 1.040 -43.240 -32.516 -47.325 -99.200 -91.000 TRP6 35 1.020 -41.105 -33.248 -48.015 -99.200 -91.000 TYR 45 0.840 -36.087 -34.269 -31.899 -99.200 -91.000 HIS 46 0.900 -36.097 -39.813 -31.133 -99.200 -91.000 HIS 54 0.900 -22.230 -39.266 -32.239 -99.200 -91.000 TYR 58 0.840 -15.953 -35.689 -32.353 -99.200 -91.000 PHE 64 1.000 -8.099 -34.033 -20.394 -99.200 -91.000 TYR 107 0.840 -1.879 -38.059 -35.989 -99.200 -91.000 HIS 112 0.900 2.249 -44.418 -28.512 -99.200 -91.000 TYR 114 0.840 -2.663 -46.025 -27.342 -99.200 -91.000 HIS 130 0.900 -26.686 -42.017 -36.593 -99.200 -91.000 TRP 133 1.040 -33.542 -46.046 -39.955 -99.200 -91.000 TRP6 133 1.020 -33.983 -43.944 -40.926 -99.200 -91.000 TYR 149 0.840 -39.905 -45.153 -47.191 -99.200 -91.000