============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. HIS 14 0.900 -5.511 50.726 23.740 -99.200 -91.000 TYR 16 0.840 -1.625 48.675 13.173 -99.200 -91.000 TYR 19 0.840 3.206 52.685 15.156 -99.200 -91.000 PHE 23 1.000 4.498 57.030 17.138 -99.200 -91.000 PHE 44 1.000 15.803 68.016 -4.382 -99.200 -91.000 TYR 47 0.840 23.356 64.660 -5.516 -99.200 -91.000 PHE 61 1.000 14.520 71.625 4.842 -99.200 -91.000 HIS 63 0.900 14.602 72.816 9.912 -99.200 -91.000 PHE 71 1.000 23.936 68.735 16.713 -99.200 -91.000 PHE 76 1.000 10.979 71.269 14.355 -99.200 -91.000 TYR 88 0.840 2.358 53.797 21.363 -99.200 -91.000 PHE 95 1.000 3.733 56.120 30.875 -99.200 -91.000 TYR 109 0.840 17.318 56.699 32.557 -99.200 -91.000 HIS 112 0.900 17.250 60.403 23.322 -99.200 -91.000 TYR 116 0.840 18.922 57.045 18.590 -99.200 -91.000 PHE 136 1.000 17.118 58.238 0.592 -99.200 -91.000 PHE 141 1.000 24.890 66.527 2.589 -99.200 -91.000 PHE 149 1.000 28.297 69.310 14.121 -99.200 -91.000 PHE 152 1.000 25.867 63.836 16.459 -99.200 -91.000 PHE 157 1.000 21.973 56.220 7.403 -99.200 -91.000 PHE 159 1.000 18.595 49.373 15.813 -99.200 -91.000 PHE 163 1.000 14.164 46.830 14.762 -99.200 -91.000 PHE 176 1.000 11.334 46.519 19.989 -99.200 -91.000 HIS 214 0.900 6.542 39.141 10.941 -99.200 -91.000 PHE 221 1.000 8.828 37.362 22.806 -99.200 -91.000 HIS 238 0.900 22.904 61.197 19.329 -99.200 -91.000 HIS 255 0.900 13.912 72.094 22.318 -99.200 -91.000 TYR 262 0.840 20.455 63.026 24.867 -99.200 -91.000