============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 8 1.000 25.123 23.371 50.263 -99.200 -91.000 HIS 18 0.900 29.538 28.099 48.755 -99.200 -91.000 PHE 22 1.000 23.420 21.735 45.809 -99.200 -91.000 PHE 32 1.000 19.785 21.202 49.753 -99.200 -91.000 TYR 33 0.840 17.648 23.452 58.261 -99.200 -91.000 PHE 54 1.000 -11.576 27.855 55.873 -99.200 -91.000 PHE 55 1.000 -6.263 24.601 58.889 -99.200 -91.000 HIS 57 0.900 -11.685 32.017 65.261 -99.200 -91.000 PHE 77 1.000 -11.017 21.843 56.898 -99.200 -91.000 TYR 84 0.840 -6.061 25.731 51.444 -99.200 -91.000 PHE 93 1.000 -7.247 29.739 45.985 -99.200 -91.000 PHE 98 1.000 -6.940 30.329 52.408 -99.200 -91.000 TRP 102 1.040 -2.887 30.447 52.184 -99.200 -91.000 TRP6 102 1.020 -1.668 28.497 52.656 -99.200 -91.000 TYR 105 0.840 3.356 29.783 51.920 -99.200 -91.000 PHE 106 1.000 1.437 26.054 44.135 -99.200 -91.000 TYR 110 0.840 5.579 24.976 40.149 -99.200 -91.000 PHE 135 1.000 12.687 16.230 36.263 -99.200 -91.000 PHE 144 1.000 -0.060 25.948 57.471 -99.200 -91.000 TYR 146 0.840 -3.494 23.187 65.033 -99.200 -91.000 PHE 147 1.000 1.076 17.903 61.860 -99.200 -91.000 HIS 155 0.900 7.954 9.939 56.051 -99.200 -91.000 TYR 156 0.840 12.162 5.599 49.932 -99.200 -91.000 PHE 173 1.000 9.448 17.038 70.743 -99.200 -91.000 PHE 184 1.000 16.180 8.133 65.386 -99.200 -91.000 TYR 189 0.840 10.748 28.867 63.057 -99.200 -91.000 PHE 197 1.000 13.152 15.883 54.746 -99.200 -91.000 HIS 215 0.900 11.255 12.761 55.596 -99.200 -91.000 HIS 216 0.900 12.654 9.832 63.229 -99.200 -91.000 PHE 231 1.000 5.706 23.491 45.926 -99.200 -91.000 PHE 232 1.000 4.719 15.969 49.462 -99.200 -91.000 PHE 239 1.000 11.712 11.481 34.915 -99.200 -91.000 PHE 241 1.000 12.029 5.452 35.075 -99.200 -91.000 PHE 251 1.000 14.940 4.569 42.090 -99.200 -91.000 PHE 262 1.000 5.936 9.683 39.125 -99.200 -91.000 TRP 265 1.040 9.094 3.080 40.091 -99.200 -91.000 TRP6 265 1.020 9.719 4.932 41.406 -99.200 -91.000 TYR 270 0.840 1.553 12.743 40.527 -99.200 -91.000