============================================================================= 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 25 1.000 33.695 9.655 32.673 -99.200 -91.000 TYR 44 0.840 40.861 31.964 18.387 -99.200 -91.000 TYR 51 0.840 25.689 30.871 20.300 -99.200 -91.000 PHE 62 1.000 11.989 43.253 15.448 -99.200 -91.000 PHE 63 1.000 12.281 45.626 19.841 -99.200 -91.000 PHE 68 1.000 9.762 50.295 19.453 -99.200 -91.000 TYR 81 0.840 15.285 55.734 40.080 -99.200 -91.000 PHE 95 1.000 22.163 39.815 43.915 -99.200 -91.000 PHE 101 1.000 22.994 55.175 43.903 -99.200 -91.000 TYR 112 0.840 6.639 53.916 34.903 -99.200 -91.000 TYR 114 0.840 16.783 57.921 29.107 -99.200 -91.000 PHE 129 1.000 16.343 49.255 21.416 -99.200 -91.000 TYR 135 0.840 23.341 42.297 37.923 -99.200 -91.000 HIS 144 0.900 13.305 31.671 37.752 -99.200 -91.000 PHE 148 1.000 17.093 39.163 34.806 -99.200 -91.000 PHE 153 1.000 8.599 45.516 22.885 -99.200 -91.000 PHE 172 1.000 12.215 40.430 20.049 -99.200 -91.000 HIS 175 0.900 14.506 39.757 12.821 -99.200 -91.000 PHE 180 1.000 4.757 34.448 19.524 -99.200 -91.000 TYR 190 0.840 5.031 46.573 35.276 -99.200 -91.000 HIS 198 0.900 9.724 27.548 23.227 -99.200 -91.000 TRP 217 1.040 7.476 55.548 38.403 -99.200 -91.000 TRP6 217 1.020 9.822 55.445 38.790 -99.200 -91.000 TRP 223 1.040 2.270 52.690 30.324 -99.200 -91.000 TRP6 223 1.020 3.162 50.507 30.632 -99.200 -91.000 PHE 228 1.000 9.927 39.332 24.550 -99.200 -91.000 HIS 238 0.900 21.868 29.229 20.051 -99.200 -91.000 PHE 240 1.000 22.575 26.909 24.739 -99.200 -91.000 TYR 252 0.840 28.164 25.184 30.588 -99.200 -91.000 TYR 253 0.840 32.641 32.134 23.585 -99.200 -91.000