============================================================================= 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. PHE 16 1.000 41.927 -9.265 41.546 -99.200 -91.000 PHE 19 1.000 34.957 -5.084 36.214 -99.200 -91.000 HIS 37 0.900 51.887 1.549 35.601 -99.200 -91.000 TYR 38 0.840 44.857 0.971 35.953 -99.200 -91.000 TYR 49 0.840 43.043 -2.953 32.972 -99.200 -91.000 PHE 51 1.000 40.790 2.992 30.200 -99.200 -91.000 PHE 55 1.000 30.184 8.788 27.388 -99.200 -91.000 HIS 64 0.900 30.514 27.361 33.906 -99.200 -91.000 TYR 66 0.840 36.895 18.474 29.156 -99.200 -91.000 PHE 78 1.000 35.714 4.225 26.973 -99.200 -91.000 PHE 85 1.000 46.873 -0.194 25.530 -99.200 -91.000 HIS 94 0.900 26.045 9.898 33.174 -99.200 -91.000 HIS 97 0.900 20.902 10.956 24.331 -99.200 -91.000 PHE 114 1.000 23.267 10.437 38.557 -99.200 -91.000 PHE 139 1.000 19.830 6.335 47.599 -99.200 -91.000 PHE 152 1.000 19.331 -3.417 34.378 -99.200 -91.000 HIS 153 0.900 17.009 -11.371 36.151 -99.200 -91.000 PHE 169 1.000 28.527 4.245 60.791 -99.200 -91.000 TYR 171 0.840 23.974 14.693 59.359 -99.200 -91.000 PHE 181 1.000 31.383 -6.961 49.518 -99.200 -91.000 PHE 195 1.000 34.954 -3.145 48.483 -99.200 -91.000 HIS 199 0.900 34.095 6.002 42.599 -99.200 -91.000 PHE 225 1.000 34.440 0.653 39.157 -99.200 -91.000 HIS 229 0.900 43.583 11.321 41.265 -99.200 -91.000 HIS 234 0.900 54.227 5.765 42.677 -99.200 -91.000 PHE 239 1.000 45.266 -1.926 45.931 -99.200 -91.000