============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. HIS 2 0.900 24.369 10.516 -15.525 -99.200 -91.000 PHE 8 1.000 30.110 -1.762 -6.196 -99.200 -91.000 HIS 32 0.900 36.858 6.292 -13.244 -99.200 -91.000 HIS 45 0.900 23.320 -19.387 -18.989 -99.200 -91.000 PHE 92 1.000 28.856 6.781 11.990 -99.200 -91.000 PHE 103 1.000 37.407 5.460 0.784 -99.200 -91.000 HIS 116 0.900 21.015 -7.146 -1.773 -99.200 -91.000 TYR 121 0.840 19.917 -2.362 8.665 -99.200 -91.000 PHE 123 1.000 22.005 3.737 0.197 -99.200 -91.000 PHE 143 1.000 24.033 12.479 -7.507 -99.200 -91.000 TYR 160 0.840 14.715 -10.095 -6.495 -99.200 -91.000 TYR 166 0.840 28.649 -15.017 -4.677 -99.200 -91.000 TYR 170 0.840 28.468 -14.599 -9.993 -99.200 -91.000 TRP 171 1.040 24.150 -22.267 -10.964 -99.200 -91.000 TRP6 171 1.020 23.864 -24.248 -12.226 -99.200 -91.000 HIS 178 0.900 24.351 -12.223 7.300 -99.200 -91.000 TRP 193 1.040 24.938 -11.824 -14.273 -99.200 -91.000 TRP6 193 1.020 22.673 -11.145 -14.240 -99.200 -91.000 TRP 201 1.040 17.964 0.474 -12.778 -99.200 -91.000 TRP6 201 1.020 18.329 0.833 -10.472 -99.200 -91.000 HIS 205 0.900 16.283 3.812 -12.793 -99.200 -91.000 PHE 209 1.000 23.221 9.033 2.708 -99.200 -91.000 TYR 216 0.840 17.754 5.095 15.308 -99.200 -91.000