============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. HIS 16 0.900 -32.087 48.156 21.389 -99.200 -91.000 PHE 24 1.000 -13.977 47.263 29.254 -99.200 -91.000 TRP 25 1.040 -20.060 45.331 34.402 -99.200 -91.000 TRP6 25 1.020 -21.164 43.320 34.941 -99.200 -91.000 TYR 52 0.840 -18.657 54.411 25.490 -99.200 -91.000 PHE 56 1.000 -18.297 50.533 30.362 -99.200 -91.000 TYR 80 0.840 -6.308 62.024 34.061 -99.200 -91.000 PHE 83 1.000 -8.984 54.758 37.276 -99.200 -91.000 PHE 91 1.000 -15.287 51.452 25.635 -99.200 -91.000 HIS 118 0.900 1.628 43.996 25.462 -99.200 -91.000 HIS 136 0.900 4.671 49.308 15.025 -99.200 -91.000 HIS 137 0.900 3.405 48.230 10.764 -99.200 -91.000 TRP 147 1.040 -8.951 49.470 -9.744 -99.200 -91.000 TRP6 147 1.020 -7.056 50.863 -9.649 -99.200 -91.000 HIS 170 0.900 -17.849 52.806 12.388 -99.200 -91.000 PHE 171 1.000 -13.583 44.807 6.538 -99.200 -91.000 HIS 172 0.900 -17.950 42.784 5.338 -99.200 -91.000 HIS 187 0.900 2.623 47.670 6.751 -99.200 -91.000 PHE 203 1.000 -6.948 39.621 18.802 -99.200 -91.000 PHE 219 1.000 -10.446 36.592 12.524 -99.200 -91.000 TYR 227 0.840 3.559 38.379 -8.462 -99.200 -91.000 HIS 242 0.900 -1.220 36.318 -8.095 -99.200 -91.000 HIS 251 0.900 -22.599 36.146 19.728 -99.200 -91.000 TYR 255 0.840 -7.737 33.096 12.614 -99.200 -91.000 HIS 256 0.900 -9.077 27.854 18.116 -99.200 -91.000 PHE 263 1.000 -11.201 25.049 14.949 -99.200 -91.000