============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. HIS 27 0.900 -10.751 8.177 -2.230 -99.200 -91.000 TYR 31 0.840 -5.642 7.327 -9.759 -99.200 -91.000 TRP 32 1.040 -12.710 0.626 -10.196 -99.200 -91.000 TRP6 32 1.020 -12.722 -1.737 -10.589 -99.200 -91.000 TYR 33 0.840 -5.369 1.936 -14.329 -99.200 -91.000 HIS 39 0.900 -4.609 -4.151 -22.522 -99.200 -91.000 HIS 45 0.900 -15.678 1.468 -15.150 -99.200 -91.000 TYR 46 0.840 -12.064 8.780 -15.001 -99.200 -91.000 TYR 48 0.840 -12.046 13.788 -10.854 -99.200 -91.000 TYR 62 0.840 -19.420 0.525 -19.308 -99.200 -91.000 PHE 72 1.000 -16.740 3.084 -9.860 -99.200 -91.000 TYR 87 0.840 -13.359 -7.613 -13.793 -99.200 -91.000 PHE 88 1.000 -6.372 -6.799 -7.849 -99.200 -91.000 PHE 100 1.000 -3.873 3.521 2.237 -99.200 -91.000 PHE 101 1.000 -3.534 -0.883 -6.269 -99.200 -91.000 TYR 114 0.840 -22.040 -20.631 -30.494 -99.200 -91.000 TRP 150 1.040 20.410 -13.923 -11.722 -99.200 -91.000 TRP6 150 1.020 20.933 -16.208 -12.223 -99.200 -91.000 TYR 161 0.840 9.328 9.688 -22.452 -99.200 -91.000 PHE 166 1.000 7.220 13.163 -20.255 -99.200 -91.000 TYR 168 0.840 3.910 12.330 -11.131 -99.200 -91.000 PHE 169 1.000 7.650 9.614 -17.023 -99.200 -91.000 TRP 171 1.040 9.522 4.144 -12.021 -99.200 -91.000 TRP6 171 1.020 11.229 2.465 -12.117 -99.200 -91.000 TYR 172 0.840 1.561 0.200 -7.380 -99.200 -91.000 PHE 175 1.000 4.257 -6.954 -3.459 -99.200 -91.000 PHE 198 1.000 14.129 3.162 -6.016 -99.200 -91.000 PHE 201 1.000 22.126 5.903 -13.882 -99.200 -91.000 PHE 202 1.000 16.899 12.308 -20.621 -99.200 -91.000 HIS 212 0.900 21.923 0.947 -13.135 -99.200 -91.000 TYR 224 0.840 9.383 -4.045 -8.341 -99.200 -91.000 PHE 225 1.000 2.092 2.053 -12.303 -99.200 -91.000 PHE 232 1.000 -4.321 9.124 -20.886 -99.200 -91.000 PHE 237 1.000 -1.478 1.583 -14.462 -99.200 -91.000 TYR 248 0.840 8.387 -22.753 -11.515 -99.200 -91.000