============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. HIS 4 0.900 -15.860 -66.995 -10.983 -99.200 -91.000 HIS 13 0.900 -31.627 -56.078 -23.863 -99.200 -91.000 PHE 14 1.000 -25.056 -57.468 -26.971 -99.200 -91.000 HIS 23 0.900 -27.507 -39.356 -37.387 -99.200 -91.000 PHE 25 1.000 -25.103 -44.120 -32.496 -99.200 -91.000 PHE 36 1.000 -17.138 -70.850 -18.476 -99.200 -91.000 PHE 41 1.000 -21.899 -67.468 -33.097 -99.200 -91.000 PHE 54 1.000 -22.296 -43.530 -36.889 -99.200 -91.000 PHE 63 1.000 -22.760 -53.009 -29.901 -99.200 -91.000 PHE 67 1.000 -19.832 -63.925 -24.384 -99.200 -91.000 TYR 70 0.840 -8.363 -64.324 -19.491 -99.200 -91.000 TYR 77 0.840 -10.050 -57.086 -13.284 -99.200 -91.000 PHE 78 1.000 -11.530 -58.617 -18.595 -99.200 -91.000 TYR 86 0.840 -15.963 -56.102 -18.197 -99.200 -91.000 TRP 88 1.040 -16.136 -52.208 -21.804 -99.200 -91.000 TRP6 88 1.020 -16.093 -50.819 -23.716 -99.200 -91.000 HIS 89 0.900 -15.660 -45.886 -18.187 -99.200 -91.000 PHE 92 1.000 -12.312 -46.156 -31.114 -99.200 -91.000 PHE 94 1.000 -11.493 -44.632 -36.009 -99.200 -91.000 TYR 116 0.840 -30.566 -58.334 -18.700 -99.200 -91.000 HIS 117 0.900 -22.094 -54.800 -23.765 -99.200 -91.000 PHE 121 1.000 -18.515 -45.341 -30.994 -99.200 -91.000 TYR 122 0.840 -21.802 -40.380 -25.770 -99.200 -91.000 PHE 126 1.000 -15.461 -40.988 -37.221 -99.200 -91.000 TRP 140 1.040 -13.278 -52.832 -36.291 -99.200 -91.000 TRP6 140 1.020 -11.889 -50.929 -35.965 -99.200 -91.000 TYR 163 0.840 -3.165 -51.473 -38.650 -99.200 -91.000 TYR 172 0.840 -10.072 -44.508 -40.710 -99.200 -91.000 PHE 176 1.000 -10.346 -50.431 -30.595 -99.200 -91.000 TYR 180 0.840 -10.349 -53.869 -20.738 -99.200 -91.000 TRP 192 1.040 3.458 -59.657 -19.383 -99.200 -91.000 TRP6 192 1.020 3.188 -60.520 -21.581 -99.200 -91.000 HIS 193 0.900 -4.083 -61.108 -19.462 -99.200 -91.000 PHE 194 1.000 1.269 -60.515 -26.169 -99.200 -91.000 HIS 197 0.900 -9.600 -58.829 -28.626 -99.200 -91.000 TRP 212 1.040 -23.983 -54.426 -37.197 -99.200 -91.000 TRP6 212 1.020 -25.059 -52.341 -36.972 -99.200 -91.000 HIS 217 0.900 -12.632 -68.255 -31.263 -99.200 -91.000