============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 6 1.000 21.228 22.590 19.396 -99.200 -91.000 TYR 7 0.840 16.680 23.069 20.937 -99.200 -91.000 HIS 40 0.900 11.145 11.140 15.539 -99.200 -91.000 PHE 41 1.000 8.033 4.638 10.301 -99.200 -91.000 HIS 42 0.900 4.879 7.319 7.697 -99.200 -91.000 PHE 45 1.000 12.281 4.152 8.241 -99.200 -91.000 PHE 61 1.000 8.773 22.128 -1.494 -99.200 -91.000 PHE 68 1.000 1.252 5.993 -4.030 -99.200 -91.000 PHE 77 1.000 0.689 16.266 8.920 -99.200 -91.000 TRP 117 1.040 14.688 8.534 24.757 -99.200 -91.000 TRP6 117 1.020 12.505 7.791 24.219 -99.200 -91.000 PHE 130 1.000 13.841 15.966 0.358 -99.200 -91.000 PHE 142 1.000 1.905 -3.248 -0.130 -99.200 -91.000 PHE 143 1.000 7.391 -2.584 1.604 -99.200 -91.000 PHE 152 1.000 12.549 -0.377 9.945 -99.200 -91.000 HIS 170 0.900 2.746 -0.876 13.560 -99.200 -91.000 PHE 172 1.000 1.327 4.591 20.909 -99.200 -91.000 PHE 179 1.000 -3.438 0.949 4.924 -99.200 -91.000 TYR 185 0.840 -12.945 -10.738 4.339 -99.200 -91.000 PHE 187 1.000 -1.073 -12.885 3.023 -99.200 -91.000 TYR 201 0.840 -6.729 -10.029 16.237 -99.200 -91.000 PHE 221 1.000 -1.147 -0.708 13.546 -99.200 -91.000 PHE 229 1.000 5.851 2.530 23.393 -99.200 -91.000 TYR 233 0.840 4.057 -5.150 17.564 -99.200 -91.000 TYR 234 0.840 7.699 -6.258 20.570 -99.200 -91.000 PHE 251 1.000 6.436 -15.983 17.042 -99.200 -91.000 PHE 266 1.000 12.849 -6.282 21.668 -99.200 -91.000 PHE 273 1.000 8.768 -2.395 23.298 -99.200 -91.000 PHE 274 1.000 8.552 0.338 28.248 -99.200 -91.000 PHE 277 1.000 9.894 2.824 20.987 -99.200 -91.000