============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 21 0.840 7.775 6.174 20.629 -99.200 -91.000 HIS 35 0.900 26.761 19.420 9.313 -99.200 -91.000 TRP 42 1.040 14.644 32.276 6.608 -99.200 -91.000 TRP6 42 1.020 14.075 30.173 5.674 -99.200 -91.000 TYR 44 0.840 8.216 30.351 15.714 -99.200 -91.000 PHE 54 1.000 16.046 14.275 13.505 -99.200 -91.000 HIS 93 0.900 8.726 -1.977 6.773 -99.200 -91.000 PHE 94 1.000 13.923 4.015 6.046 -99.200 -91.000 PHE 116 1.000 -4.435 -2.844 3.567 -99.200 -91.000 PHE 125 1.000 -4.810 9.088 10.461 -99.200 -91.000 TYR 127 0.840 -5.561 8.206 -0.815 -99.200 -91.000 TYR 159 0.840 26.761 18.627 4.866 -99.200 -91.000 PHE 165 1.000 14.307 24.273 6.809 -99.200 -91.000 PHE 167 1.000 10.313 15.977 4.814 -99.200 -91.000 PHE 181 1.000 -26.368 9.142 17.678 -99.200 -91.000 TRP 205 1.040 15.475 2.378 -1.411 -99.200 -91.000 TRP6 205 1.020 17.167 3.388 -0.101 -99.200 -91.000 PHE 208 1.000 22.952 3.926 -2.199 -99.200 -91.000 PHE 218 1.000 21.361 12.253 1.962 -99.200 -91.000 PHE 227 1.000 3.461 28.547 1.183 -99.200 -91.000 TRP 229 1.040 -1.209 20.379 -5.270 -99.200 -91.000 TRP6 229 1.020 -1.018 18.809 -3.509 -99.200 -91.000 PHE 232 1.000 -4.952 28.424 -7.022 -99.200 -91.000 PHE 255 1.000 -7.570 23.028 8.623 -99.200 -91.000 HIS 258 0.900 1.558 16.564 6.226 -99.200 -91.000 HIS 286 0.900 7.889 22.901 21.072 -99.200 -91.000 TYR 319 0.840 -0.919 19.790 2.974 -99.200 -91.000 TYR 325 0.840 -6.805 15.827 -3.486 -99.200 -91.000