============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. HIS 21 0.900 38.170 39.599 41.796 -99.200 -91.000 TRP 28 1.040 39.003 42.302 38.501 -99.200 -91.000 TRP6 28 1.020 37.231 43.816 38.805 -99.200 -91.000 PHE 38 1.000 32.639 49.597 36.856 -99.200 -91.000 TYR 42 0.840 33.634 43.367 40.950 -99.200 -91.000 PHE 45 1.000 26.050 44.076 41.076 -99.200 -91.000 HIS 54 0.900 20.513 34.538 54.438 -99.200 -91.000 PHE 62 1.000 31.258 23.427 44.922 -99.200 -91.000 TYR 75 0.840 35.596 36.219 31.984 -99.200 -91.000 HIS 82 0.900 34.367 32.677 40.623 -99.200 -91.000 PHE 89 1.000 36.297 30.057 49.459 -99.200 -91.000 HIS 109 0.900 17.794 24.574 28.886 -99.200 -91.000 PHE 145 1.000 11.596 13.327 32.411 -99.200 -91.000 TYR 151 0.840 9.587 17.826 34.915 -99.200 -91.000 TRP 152 1.040 5.099 13.654 30.068 -99.200 -91.000 TRP6 152 1.020 7.177 12.646 29.571 -99.200 -91.000 HIS 153 0.900 6.021 21.454 29.136 -99.200 -91.000 TRP 156 1.040 10.910 17.029 29.545 -99.200 -91.000 TRP6 156 1.020 13.163 16.794 28.877 -99.200 -91.000 PHE 167 1.000 12.439 10.961 27.377 -99.200 -91.000 TYR 170 0.840 19.030 15.638 28.941 -99.200 -91.000 PHE 173 1.000 25.589 14.909 28.902 -99.200 -91.000 TRP 178 1.040 20.518 14.207 39.603 -99.200 -91.000 TRP6 178 1.020 19.600 15.107 41.592 -99.200 -91.000 PHE 190 1.000 21.359 26.372 46.203 -99.200 -91.000 TYR 191 0.840 20.552 20.471 36.973 -99.200 -91.000 PHE 194 1.000 22.461 25.052 33.352 -99.200 -91.000 HIS 200 0.900 19.996 29.133 28.283 -99.200 -91.000 TYR 202 0.840 14.882 27.010 28.957 -99.200 -91.000 HIS 209 0.900 16.435 22.280 37.125 -99.200 -91.000 TYR 216 0.840 16.384 17.975 46.252 -99.200 -91.000 HIS 235 0.900 32.490 37.440 33.663 -99.200 -91.000