============================================================================= 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 -7.949 34.317 -2.409 -99.200 -91.000 TYR 15 0.840 -9.787 26.654 14.944 -99.200 -91.000 TYR 19 0.840 -5.048 23.310 0.321 -99.200 -91.000 HIS 53 0.900 2.961 44.502 16.938 -99.200 -91.000 HIS 64 0.900 -20.220 32.377 6.452 -99.200 -91.000 TYR 70 0.840 -13.446 28.518 1.988 -99.200 -91.000 PHE 73 1.000 -5.107 34.242 9.188 -99.200 -91.000 PHE 75 1.000 3.507 31.375 2.229 -99.200 -91.000 HIS 77 0.900 8.211 32.303 1.646 -99.200 -91.000 PHE 83 1.000 15.632 29.097 12.590 -99.200 -91.000 TYR 100 0.840 13.309 34.013 15.501 -99.200 -91.000 PHE 102 1.000 12.645 43.652 21.824 -99.200 -91.000 PHE 110 1.000 -1.858 45.670 18.216 -99.200 -91.000 HIS 112 0.900 -1.523 39.050 25.984 -99.200 -91.000 HIS 114 0.900 -5.952 46.827 20.675 -99.200 -91.000 HIS 118 0.900 -2.570 31.769 19.423 -99.200 -91.000 PHE 139 1.000 -2.485 36.945 20.012 -99.200 -91.000 PHE 145 1.000 -13.224 30.375 13.927 -99.200 -91.000 TYR 152 0.840 -8.465 19.457 9.162 -99.200 -91.000 HIS 154 0.900 -11.085 12.318 13.228 -99.200 -91.000 TRP 160 1.040 3.558 18.260 24.379 -99.200 -91.000 TRP6 160 1.020 5.267 17.887 22.773 -99.200 -91.000 TYR 161 0.840 4.290 24.189 23.248 -99.200 -91.000 TYR 171 0.840 -15.674 33.289 33.922 -99.200 -91.000 TYR 172 0.840 -8.992 30.241 29.655 -99.200 -91.000 TRP 179 1.040 2.370 27.673 31.195 -99.200 -91.000 TRP6 179 1.020 3.068 27.452 33.430 -99.200 -91.000 PHE 185 1.000 13.642 32.534 27.305 -99.200 -91.000 PHE 195 1.000 6.683 22.446 32.250 -99.200 -91.000 PHE 205 1.000 -0.232 14.308 38.791 -99.200 -91.000 PHE 208 1.000 0.686 20.049 39.717 -99.200 -91.000 TRP 219 1.040 -2.611 29.886 41.653 -99.200 -91.000 TRP6 219 1.020 -2.549 28.328 39.877 -99.200 -91.000 TYR 228 0.840 -5.425 21.288 44.838 -99.200 -91.000 PHE 232 1.000 -3.815 17.801 41.459 -99.200 -91.000 TRP 235 1.040 6.518 14.969 42.060 -99.200 -91.000 TRP6 235 1.020 4.371 14.702 41.100 -99.200 -91.000 PHE 240 1.000 12.806 28.282 36.346 -99.200 -91.000 HIS 260 0.900 6.483 34.091 39.471 -99.200 -91.000 TYR 261 0.840 2.858 26.212 39.757 -99.200 -91.000 HIS 275 0.900 14.244 40.031 33.147 -99.200 -91.000 PHE 277 1.000 17.035 36.734 27.739 -99.200 -91.000 PHE 278 1.000 13.457 40.373 26.101 -99.200 -91.000 HIS 287 0.900 21.661 29.390 5.683 -99.200 -91.000