============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 10 0.840 15.203 27.228 18.604 -99.200 -91.000 HIS 13 0.900 13.498 15.186 16.103 -99.200 -91.000 HIS 25 0.900 15.921 14.799 27.088 -99.200 -91.000 PHE 26 1.000 8.953 18.849 23.919 -99.200 -91.000 TYR 43 0.840 15.627 32.117 36.948 -99.200 -91.000 PHE 50 1.000 19.704 14.668 38.874 -99.200 -91.000 HIS 57 0.900 24.962 22.703 36.761 -99.200 -91.000 HIS 61 0.900 16.874 10.492 35.791 -99.200 -91.000 HIS 74 0.900 15.636 33.579 33.529 -99.200 -91.000 TYR 81 0.840 21.085 21.374 22.902 -99.200 -91.000 TRP 86 1.040 6.345 20.974 14.433 -99.200 -91.000 TRP6 86 1.020 6.604 20.737 16.774 -99.200 -91.000 TYR 111 0.840 1.225 42.794 24.746 -99.200 -91.000 PHE 117 1.000 12.207 41.586 13.957 -99.200 -91.000 PHE 138 1.000 2.067 31.690 9.163 -99.200 -91.000 HIS 140 0.900 -8.076 33.062 6.825 -99.200 -91.000 TRP 142 1.040 -8.751 32.315 11.349 -99.200 -91.000 TRP6 142 1.020 -9.276 30.282 10.255 -99.200 -91.000 PHE 146 1.000 -12.337 34.230 18.124 -99.200 -91.000 TRP 153 1.040 -17.643 34.424 25.742 -99.200 -91.000 TRP6 153 1.020 -19.817 34.504 24.799 -99.200 -91.000 PHE 159 1.000 -15.083 30.408 40.079 -99.200 -91.000 PHE 174 1.000 -5.914 23.090 41.756 -99.200 -91.000 TRP 181 1.040 -1.479 24.105 36.626 -99.200 -91.000 TRP6 181 1.020 -0.988 23.160 38.749 -99.200 -91.000 TYR 184 0.840 4.513 21.109 40.069 -99.200 -91.000 TYR 188 0.840 6.813 16.590 40.078 -99.200 -91.000 TYR 189 0.840 1.411 18.333 44.396 -99.200 -91.000 HIS 195 0.900 -9.376 20.302 43.883 -99.200 -91.000 PHE 196 1.000 -4.886 20.891 36.033 -99.200 -91.000 TYR 213 0.840 -16.768 29.902 13.719 -99.200 -91.000 TYR 220 0.840 -9.676 28.190 3.920 -99.200 -91.000 TYR 226 0.840 1.676 23.037 8.924 -99.200 -91.000 TYR 238 0.840 4.098 17.540 27.670 -99.200 -91.000 TYR 264 0.840 16.029 31.192 11.342 -99.200 -91.000 PHE 273 1.000 7.900 43.069 13.934 -99.200 -91.000 PHE 295 1.000 -6.712 34.198 28.901 -99.200 -91.000 PHE 308 1.000 -18.157 34.906 30.742 -99.200 -91.000 TYR 310 0.840 -19.489 42.235 39.906 -99.200 -91.000 TRP 321 1.040 -14.888 46.966 32.223 -99.200 -91.000 TRP6 321 1.020 -16.350 45.102 32.285 -99.200 -91.000 PHE 323 1.000 -12.508 42.481 38.833 -99.200 -91.000 HIS 350 0.900 4.579 35.474 39.645 -99.200 -91.000 PHE 355 1.000 3.028 26.165 39.513 -99.200 -91.000 TYR 369 0.840 -6.161 30.885 48.213 -99.200 -91.000 HIS 370 0.900 -14.929 30.501 47.061 -99.200 -91.000 PHE 371 1.000 -10.826 30.235 38.319 -99.200 -91.000 TYR 374 0.840 -2.071 26.139 40.708 -99.200 -91.000