============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TRP 8 1.040 4.092 -3.876 15.006 -99.200 -91.000 TRP6 8 1.020 3.158 -5.468 16.495 -99.200 -91.000 HIS 17 0.900 3.660 -17.705 18.199 -99.200 -91.000 PHE 21 1.000 1.234 -11.449 14.930 -99.200 -91.000 TRP 24 1.040 -2.311 -6.058 18.374 -99.200 -91.000 TRP6 24 1.020 -1.732 -6.298 16.095 -99.200 -91.000 PHE 25 1.000 -3.781 -11.370 12.497 -99.200 -91.000 HIS 51 0.900 -1.309 -22.876 7.204 -99.200 -91.000 TYR 55 0.840 -6.912 -12.521 9.389 -99.200 -91.000 PHE 58 1.000 -1.117 -14.774 0.165 -99.200 -91.000 PHE 59 1.000 4.223 -16.423 6.711 -99.200 -91.000 TYR 67 0.840 19.094 -8.458 6.285 -99.200 -91.000 TYR 73 0.840 -0.281 -13.640 9.135 -99.200 -91.000 PHE 85 1.000 10.603 -2.406 -5.904 -99.200 -91.000 PHE 90 1.000 17.507 -1.873 -5.625 -99.200 -91.000 PHE 101 1.000 -5.338 -7.566 -1.096 -99.200 -91.000 PHE 104 1.000 -6.739 -2.206 -1.773 -99.200 -91.000 TYR 107 0.840 3.488 -1.049 -5.067 -99.200 -91.000 TYR 110 0.840 12.908 -4.071 6.849 -99.200 -91.000 PHE 111 1.000 10.221 1.928 0.843 -99.200 -91.000 TYR 123 0.840 19.968 -2.715 -1.136 -99.200 -91.000 PHE 127 1.000 13.763 -1.483 -1.753 -99.200 -91.000 TYR 128 0.840 13.750 5.891 0.268 -99.200 -91.000 PHE 131 1.000 7.576 2.896 -3.517 -99.200 -91.000 PHE 151 1.000 7.473 4.760 2.636 -99.200 -91.000 HIS 155 0.900 7.857 14.576 4.027 -99.200 -91.000 PHE 172 1.000 14.974 15.150 9.880 -99.200 -91.000 TRP 179 1.040 12.737 8.786 -3.261 -99.200 -91.000 TRP6 179 1.020 11.039 7.659 -2.077 -99.200 -91.000 PHE 183 1.000 5.816 7.816 -2.481 -99.200 -91.000 TYR 188 0.840 2.395 7.940 -5.851 -99.200 -91.000 PHE 192 1.000 -0.235 10.509 12.071 -99.200 -91.000 PHE 195 1.000 -7.748 11.148 7.747 -99.200 -91.000 TYR 202 0.840 7.980 11.531 17.781 -99.200 -91.000 TRP 204 1.040 12.855 2.431 15.730 -99.200 -91.000 TRP6 204 1.020 14.667 3.927 16.072 -99.200 -91.000 TRP 205 1.040 8.997 5.943 20.502 -99.200 -91.000 TRP6 205 1.020 7.178 4.621 19.693 -99.200 -91.000 TYR 207 0.840 13.423 -2.816 21.465 -99.200 -91.000 TRP 218 1.040 14.179 8.765 15.145 -99.200 -91.000 TRP6 218 1.020 15.688 9.409 13.428 -99.200 -91.000 TYR 222 0.840 6.394 8.010 6.558 -99.200 -91.000 PHE 223 1.000 -1.388 1.651 6.151 -99.200 -91.000 PHE 224 1.000 3.975 8.260 1.802 -99.200 -91.000 PHE 229 1.000 -7.996 3.901 -2.867 -99.200 -91.000 TRP 237 1.040 -5.493 3.843 14.256 -99.200 -91.000 TRP6 237 1.020 -6.692 2.894 12.425 -99.200 -91.000 HIS 247 0.900 9.948 0.219 13.223 -99.200 -91.000