============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. HIS 2 0.900 17.105 -27.436 33.415 -99.200 -91.000 PHE 10 1.000 11.208 -4.959 39.102 -99.200 -91.000 HIS 11 0.900 16.934 0.841 35.546 -99.200 -91.000 PHE 22 1.000 26.058 -0.680 36.217 -99.200 -91.000 PHE 26 1.000 25.127 -10.725 36.507 -99.200 -91.000 HIS 30 0.900 27.258 -14.638 36.393 -99.200 -91.000 TYR 64 0.840 21.545 7.710 51.368 -99.200 -91.000 TYR 72 0.840 16.586 -0.008 55.326 -99.200 -91.000 PHE 75 1.000 7.900 -5.679 50.901 -99.200 -91.000 TRP 78 1.040 21.672 -5.538 52.576 -99.200 -91.000 TRP6 78 1.020 22.456 -5.046 50.395 -99.200 -91.000 PHE 82 1.000 24.638 2.669 42.367 -99.200 -91.000 TYR 91 0.840 20.513 25.307 26.996 -99.200 -91.000 TYR 97 0.840 13.411 34.079 24.602 -99.200 -91.000 TRP 106 1.040 19.531 29.708 36.976 -99.200 -91.000 TRP6 106 1.020 17.639 28.723 37.994 -99.200 -91.000 TYR 107 0.840 17.149 33.953 39.067 -99.200 -91.000 PHE 117 1.000 9.600 25.692 34.494 -99.200 -91.000 PHE 119 1.000 8.060 20.639 38.110 -99.200 -91.000 TYR 129 0.840 12.741 13.340 46.138 -99.200 -91.000 TYR 141 0.840 24.203 31.324 45.056 -99.200 -91.000 TYR 142 0.840 20.678 32.680 41.921 -99.200 -91.000 PHE 148 1.000 8.651 26.240 44.486 -99.200 -91.000 PHE 160 1.000 9.869 23.884 48.632 -99.200 -91.000 TYR 167 0.840 12.536 28.566 53.158 -99.200 -91.000 HIS 195 0.900 8.009 12.335 24.890 -99.200 -91.000 TYR 204 0.840 15.613 26.838 28.504 -99.200 -91.000 PHE 205 1.000 15.450 17.470 30.147 -99.200 -91.000 PHE 206 1.000 14.681 23.375 36.865 -99.200 -91.000 TYR 208 0.840 19.081 12.845 38.587 -99.200 -91.000 HIS 215 0.900 18.909 10.328 26.522 -99.200 -91.000 PHE 217 1.000 18.076 16.746 25.886 -99.200 -91.000 PHE 219 1.000 25.469 20.337 31.360 -99.200 -91.000 TYR 233 0.840 28.908 24.138 49.030 -99.200 -91.000 TYR 237 0.840 23.414 20.621 48.540 -99.200 -91.000 TYR 257 0.840 21.780 8.104 41.086 -99.200 -91.000 PHE 274 1.000 23.090 -5.831 37.969 -99.200 -91.000