============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 4 1.000 -8.158 34.049 -2.357 -99.200 -91.000 TYR 15 0.840 -9.828 26.482 15.250 -99.200 -91.000 TYR 19 0.840 -5.709 23.297 0.641 -99.200 -91.000 HIS 53 0.900 2.904 44.347 17.132 -99.200 -91.000 HIS 64 0.900 -20.449 32.152 6.604 -99.200 -91.000 TYR 70 0.840 -13.674 28.561 1.989 -99.200 -91.000 PHE 73 1.000 -5.258 34.066 9.180 -99.200 -91.000 PHE 75 1.000 3.327 30.938 2.332 -99.200 -91.000 HIS 77 0.900 8.100 31.979 1.712 -99.200 -91.000 PHE 83 1.000 15.444 28.914 12.720 -99.200 -91.000 TYR 100 0.840 13.280 33.890 15.670 -99.200 -91.000 PHE 102 1.000 12.486 43.556 22.658 -99.200 -91.000 PHE 110 1.000 -1.825 45.580 18.508 -99.200 -91.000 HIS 112 0.900 -1.361 39.022 26.454 -99.200 -91.000 HIS 114 0.900 -5.658 46.877 20.884 -99.200 -91.000 HIS 118 0.900 -2.420 31.946 19.745 -99.200 -91.000 PHE 139 1.000 -2.729 36.864 19.941 -99.200 -91.000 PHE 145 1.000 -13.242 30.153 14.119 -99.200 -91.000 TYR 152 0.840 -8.850 19.209 9.310 -99.200 -91.000 HIS 154 0.900 -11.215 12.300 13.380 -99.200 -91.000 TRP 160 1.040 3.778 18.213 24.553 -99.200 -91.000 TRP6 160 1.020 5.454 17.852 22.925 -99.200 -91.000 TYR 161 0.840 4.428 24.063 23.468 -99.200 -91.000 TYR 171 0.840 -15.588 33.040 34.052 -99.200 -91.000 TYR 172 0.840 -8.624 30.214 29.855 -99.200 -91.000 TRP 179 1.040 2.616 27.510 31.403 -99.200 -91.000 TRP6 179 1.020 3.364 27.234 33.633 -99.200 -91.000 PHE 185 1.000 13.820 32.400 27.410 -99.200 -91.000 PHE 195 1.000 6.914 22.269 32.455 -99.200 -91.000 PHE 205 1.000 -0.141 14.163 38.904 -99.200 -91.000 PHE 208 1.000 0.877 19.841 39.869 -99.200 -91.000 TRP 219 1.040 -2.379 29.737 41.871 -99.200 -91.000 TRP6 219 1.020 -2.367 28.156 40.100 -99.200 -91.000 TYR 228 0.840 -5.269 21.109 45.074 -99.200 -91.000 PHE 232 1.000 -3.717 17.561 41.626 -99.200 -91.000 TRP 235 1.040 6.544 14.587 42.219 -99.200 -91.000 TRP6 235 1.020 4.407 14.410 41.232 -99.200 -91.000 PHE 240 1.000 12.872 28.095 36.445 -99.200 -91.000 HIS 260 0.900 6.963 33.890 39.613 -99.200 -91.000 TYR 261 0.840 3.113 25.911 40.011 -99.200 -91.000 HIS 275 0.900 14.499 39.926 33.236 -99.200 -91.000 PHE 277 1.000 17.197 36.668 27.846 -99.200 -91.000 PHE 278 1.000 13.625 40.237 26.234 -99.200 -91.000 HIS 287 0.900 21.408 29.387 5.741 -99.200 -91.000