============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 5 1.000 20.797 71.185 77.004 -99.200 -91.000 HIS 12 0.900 32.585 77.008 66.911 -99.200 -91.000 TYR 24 0.840 15.664 71.859 74.886 -99.200 -91.000 PHE 29 1.000 32.110 77.150 77.563 -99.200 -91.000 HIS 30 0.900 32.612 74.218 84.407 -99.200 -91.000 HIS 47 0.900 16.877 67.653 82.978 -99.200 -91.000 PHE 48 1.000 19.459 66.602 77.101 -99.200 -91.000 HIS 56 0.900 39.761 60.389 82.153 -99.200 -91.000 PHE 74 1.000 28.655 68.870 71.831 -99.200 -91.000 PHE 94 1.000 21.835 61.007 70.499 -99.200 -91.000 PHE 98 1.000 26.681 60.691 59.099 -99.200 -91.000 HIS 127 0.900 62.240 65.105 52.644 -99.200 -91.000 PHE 135 1.000 50.910 56.216 34.987 -99.200 -91.000 TYR 147 0.840 27.810 58.076 45.268 -99.200 -91.000 HIS 149 0.900 26.305 61.487 55.494 -99.200 -91.000 TYR 163 0.840 36.302 60.034 32.239 -99.200 -91.000 TYR 165 0.840 33.065 54.401 35.966 -99.200 -91.000 PHE 166 1.000 27.457 55.029 42.995 -99.200 -91.000 TYR 167 0.840 29.697 46.680 45.686 -99.200 -91.000 HIS 183 0.900 27.890 41.693 38.899 -99.200 -91.000 HIS 196 0.900 35.865 57.197 51.320 -99.200 -91.000 HIS 240 0.900 47.670 43.511 41.165 -99.200 -91.000 PHE 254 1.000 55.608 47.427 51.236 -99.200 -91.000 TYR 278 0.840 16.991 60.522 73.859 -99.200 -91.000 PHE 290 1.000 19.358 54.074 74.517 -99.200 -91.000 HIS 298 0.900 3.616 60.015 59.935 -99.200 -91.000 HIS 304 0.900 9.088 50.896 78.774 -99.200 -91.000 HIS 306 0.900 12.017 47.813 76.891 -99.200 -91.000 PHE 320 1.000 -0.035 52.368 74.636 -99.200 -91.000 TYR 331 0.840 12.313 51.879 64.409 -99.200 -91.000 TYR 339 0.840 14.258 54.779 72.540 -99.200 -91.000 TYR 370 0.840 5.374 64.357 69.611 -99.200 -91.000