============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. HIS 7 0.900 -16.511 -6.466 41.231 -99.200 -91.000 TYR 18 0.840 -18.390 0.308 23.626 -99.200 -91.000 PHE 24 1.000 0.682 5.136 12.908 -99.200 -91.000 HIS 26 0.900 4.988 3.035 21.928 -99.200 -91.000 HIS 33 0.900 -8.359 4.128 26.040 -99.200 -91.000 TYR 35 0.840 -13.157 7.812 28.341 -99.200 -91.000 TYR 37 0.840 -24.110 9.737 26.164 -99.200 -91.000 PHE 42 1.000 -10.553 3.945 31.067 -99.200 -91.000 PHE 50 1.000 -0.010 -3.871 13.444 -99.200 -91.000 HIS 53 0.900 -9.952 -1.758 11.786 -99.200 -91.000 TYR 64 0.840 -19.920 -9.097 17.223 -99.200 -91.000 TYR 69 0.840 -4.000 -11.673 19.243 -99.200 -91.000 HIS 70 0.900 2.508 -11.539 12.793 -99.200 -91.000 TRP 85 1.040 -12.939 -9.213 23.664 -99.200 -91.000 TRP6 85 1.020 -11.562 -8.887 25.546 -99.200 -91.000 PHE 92 1.000 -11.082 -14.762 23.938 -99.200 -91.000 TYR 108 0.840 -11.138 5.867 6.525 -99.200 -91.000 PHE 112 1.000 -14.829 -5.963 13.124 -99.200 -91.000 PHE 120 1.000 -24.512 -14.544 7.901 -99.200 -91.000 TYR 142 0.840 -13.364 -15.750 6.104 -99.200 -91.000 TRP 153 1.040 -11.070 0.517 1.205 -99.200 -91.000 TRP6 153 1.020 -9.651 -1.324 1.575 -99.200 -91.000 PHE 165 1.000 -21.867 -7.239 2.093 -99.200 -91.000 PHE 195 1.000 -16.993 7.694 -6.760 -99.200 -91.000 PHE 203 1.000 -13.515 13.308 2.045 -99.200 -91.000 HIS 214 0.900 -28.223 11.258 1.288 -99.200 -91.000 PHE 215 1.000 -21.587 6.839 -0.252 -99.200 -91.000 TYR 218 0.840 -10.339 13.247 -2.038 -99.200 -91.000 TYR 219 0.840 -11.920 18.257 -6.427 -99.200 -91.000 TYR 223 0.840 -21.092 12.581 -6.748 -99.200 -91.000 PHE 227 1.000 -29.630 1.451 1.002 -99.200 -91.000 TRP 238 1.040 -27.195 17.175 -3.080 -99.200 -91.000 TRP6 238 1.020 -26.942 18.403 -1.070 -99.200 -91.000 TRP 250 1.040 -15.481 27.759 3.732 -99.200 -91.000 TRP6 250 1.020 -15.225 27.028 5.961 -99.200 -91.000 TYR 255 0.840 -8.200 10.520 8.826 -99.200 -91.000 HIS 261 0.900 -31.811 13.567 13.827 -99.200 -91.000 TYR 268 0.840 -25.840 16.691 12.052 -99.200 -91.000 PHE 270 1.000 -16.135 16.248 11.741 -99.200 -91.000 HIS 272 0.900 -10.397 21.226 4.839 -99.200 -91.000 HIS 280 0.900 -7.150 13.765 0.603 -99.200 -91.000 PHE 282 1.000 -4.979 20.396 5.598 -99.200 -91.000 TRP 288 1.040 -19.960 24.245 6.759 -99.200 -91.000 TRP6 288 1.020 -19.855 24.813 4.478 -99.200 -91.000 TYR 329 0.840 -20.699 19.286 19.058 -99.200 -91.000 PHE 354 1.000 -23.590 8.081 20.939 -99.200 -91.000 HIS 355 0.900 -23.522 -1.230 24.644 -99.200 -91.000