============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 4 0.900 -71.195 6.029 10.258 -99.200 -91.000 PHE 7 1.000 -60.267 1.570 6.286 -99.200 -91.000 HIS 9 0.900 -54.801 -1.407 6.483 -99.200 -91.000 TYR 12 0.840 -48.495 -2.054 1.737 -99.200 -91.000 PHE 24 1.000 -44.450 9.025 0.531 -99.200 -91.000 TYR 25 0.840 -36.185 10.522 4.860 -99.200 -91.000 PHE 36 1.000 -33.667 30.209 -9.992 -99.200 -91.000 HIS 41 0.900 -46.267 23.680 -24.006 -99.200 -91.000 HIS 62 0.900 -66.833 14.533 3.020 -99.200 -91.000 TRP 66 1.040 -60.375 20.459 -1.440 -99.200 -91.000 TRP6 66 1.020 -59.907 19.424 0.659 -99.200 -91.000 PHE 68 1.000 -56.564 21.869 -4.853 -99.200 -91.000 HIS 78 0.900 -46.574 39.903 -18.482 -99.200 -91.000 TYR 92 0.840 -38.315 40.595 -1.250 -99.200 -91.000 TRP 100 1.040 -40.730 37.803 5.962 -99.200 -91.000 TRP6 100 1.020 -43.074 38.143 5.861 -99.200 -91.000 TRP 111 1.040 -38.173 43.560 -7.070 -99.200 -91.000 TRP6 111 1.020 -36.328 43.856 -5.642 -99.200 -91.000 TYR 115 0.840 -41.880 31.948 -9.337 -99.200 -91.000 PHE 126 1.000 -58.040 31.787 -5.277 -99.200 -91.000 HIS 130 0.900 -69.021 32.050 3.616 -99.200 -91.000 PHE 132 1.000 -72.781 30.618 -0.329 -99.200 -91.000 HIS 139 0.900 -66.529 25.395 3.512 -99.200 -91.000 TYR 140 0.840 -67.820 23.379 11.602 -99.200 -91.000 TYR 141 0.840 -60.636 23.007 13.712 -99.200 -91.000 HIS 185 0.900 -67.849 31.188 -1.630 -99.200 -91.000 TYR 196 0.840 -40.806 18.272 -17.414 -99.200 -91.000 HIS 219 0.900 -40.438 7.716 29.222 -99.200 -91.000 HIS 220 0.900 -43.830 6.027 33.721 -99.200 -91.000