============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. HIS 2 0.900 10.114 -44.322 15.053 -99.200 -91.000 PHE 4 1.000 12.775 -46.431 18.628 -99.200 -91.000 HIS 27 0.900 17.294 -56.762 18.987 -99.200 -91.000 TYR 30 0.840 24.268 -45.575 10.773 -99.200 -91.000 PHE 37 1.000 32.368 -38.029 32.801 -99.200 -91.000 PHE 45 1.000 30.513 -46.379 31.022 -99.200 -91.000 PHE 46 1.000 27.101 -40.625 34.798 -99.200 -91.000 PHE 51 1.000 18.669 -47.639 19.566 -99.200 -91.000 HIS 52 0.900 19.192 -45.081 11.654 -99.200 -91.000 PHE 65 1.000 20.083 -51.946 28.048 -99.200 -91.000 PHE 72 1.000 27.989 -54.866 32.324 -99.200 -91.000 TRP 75 1.040 17.496 -50.329 31.710 -99.200 -91.000 TRP6 75 1.020 16.067 -50.755 29.871 -99.200 -91.000 HIS 78 0.900 13.166 -41.748 27.482 -99.200 -91.000 HIS 94 0.900 11.796 -13.445 34.621 -99.200 -91.000 PHE 101 1.000 9.279 -16.460 20.222 -99.200 -91.000 TRP 103 1.040 5.055 -26.002 23.411 -99.200 -91.000 TRP6 103 1.020 3.007 -24.875 23.217 -99.200 -91.000 HIS 117 0.900 0.445 -14.900 43.467 -99.200 -91.000 PHE 120 1.000 2.286 -14.401 34.639 -99.200 -91.000 HIS 127 0.900 1.183 -19.150 24.382 -99.200 -91.000 PHE 131 1.000 -3.371 -20.052 35.376 -99.200 -91.000 HIS 133 0.900 -5.537 -18.591 41.713 -99.200 -91.000 PHE 134 1.000 -4.500 -26.478 41.996 -99.200 -91.000 TRP 148 1.040 1.967 -27.677 43.734 -99.200 -91.000 TRP6 148 1.020 3.905 -28.940 43.272 -99.200 -91.000 PHE 152 1.000 4.997 -34.815 38.229 -99.200 -91.000 TYR 165 0.840 5.063 -22.557 42.901 -99.200 -91.000 HIS 184 0.900 19.695 -20.150 42.187 -99.200 -91.000 HIS 185 0.900 18.658 -13.740 42.282 -99.200 -91.000 PHE 187 1.000 22.939 -11.446 42.065 -99.200 -91.000 PHE 191 1.000 26.352 -9.268 45.732 -99.200 -91.000 TYR 197 0.840 19.022 -8.899 40.068 -99.200 -91.000 HIS 198 0.900 17.983 -1.961 44.681 -99.200 -91.000 HIS 201 0.900 24.400 0.562 41.529 -99.200 -91.000 HIS 213 0.900 18.391 -25.542 41.899 -99.200 -91.000 PHE 214 1.000 17.916 -32.714 37.287 -99.200 -91.000 HIS 234 0.900 31.127 2.306 33.857 -99.200 -91.000 TYR 236 0.840 24.316 -2.934 31.949 -99.200 -91.000 PHE 260 1.000 14.065 -34.104 32.433 -99.200 -91.000 PHE 266 1.000 23.063 -39.644 31.137 -99.200 -91.000 PHE 275 1.000 27.039 -37.834 28.093 -99.200 -91.000