============================================================================= 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 2 0.840 14.603 41.514 41.564 -99.200 -91.000 PHE 25 1.000 -7.309 34.261 67.158 -99.200 -91.000 HIS 37 0.900 -13.919 13.156 69.613 -99.200 -91.000 HIS 43 0.900 -12.034 6.421 57.506 -99.200 -91.000 HIS 63 0.900 -23.119 38.979 56.330 -99.200 -91.000 TYR 71 0.840 -26.782 28.541 60.698 -99.200 -91.000 TYR 92 0.840 -18.242 26.437 51.769 -99.200 -91.000 PHE 93 1.000 -14.158 31.910 56.959 -99.200 -91.000 TRP 102 1.040 -17.300 41.041 51.494 -99.200 -91.000 TRP6 102 1.020 -18.166 39.109 52.557 -99.200 -91.000 HIS 110 0.900 -12.191 45.680 58.847 -99.200 -91.000 PHE 114 1.000 -9.969 44.949 48.731 -99.200 -91.000 PHE 141 1.000 -9.333 24.135 53.101 -99.200 -91.000 TYR 148 0.840 -2.062 31.898 56.850 -99.200 -91.000 TRP 154 1.040 -16.839 17.178 53.852 -99.200 -91.000 TRP6 154 1.020 -17.665 18.890 52.451 -99.200 -91.000 HIS 167 0.900 -7.500 24.825 42.993 -99.200 -91.000 PHE 180 1.000 -11.658 16.525 44.527 -99.200 -91.000 HIS 202 0.900 -1.036 13.848 42.869 -99.200 -91.000 PHE 204 1.000 0.074 21.183 48.051 -99.200 -91.000 TRP 210 1.040 8.877 27.684 60.735 -99.200 -91.000 TRP6 210 1.020 8.535 28.282 62.989 -99.200 -91.000 HIS 212 0.900 11.540 30.941 52.477 -99.200 -91.000 HIS 225 0.900 -18.167 13.509 49.632 -99.200 -91.000 TYR 236 0.840 -33.602 17.404 42.596 -99.200 -91.000 HIS 240 0.900 -30.034 13.629 36.718 -99.200 -91.000 PHE 260 1.000 -31.106 18.398 50.050 -99.200 -91.000 HIS 262 0.900 -24.511 26.445 45.761 -99.200 -91.000 PHE 269 1.000 -35.367 31.860 49.724 -99.200 -91.000 HIS 296 0.900 -27.071 33.678 57.982 -99.200 -91.000 TYR 312 0.840 -27.920 38.859 63.923 -99.200 -91.000 TRP 323 1.040 -33.503 27.938 63.345 -99.200 -91.000 TRP6 323 1.020 -31.484 26.727 63.080 -99.200 -91.000