============================================================================= 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. PHE 33 1.000 40.175 18.300 18.935 -99.200 -91.000 HIS 41 0.900 49.651 18.366 14.864 -99.200 -91.000 HIS 49 0.900 53.558 25.975 4.266 -99.200 -91.000 TYR 55 0.840 49.325 40.525 -0.360 -99.200 -91.000 TYR 66 0.840 37.957 16.578 22.565 -99.200 -91.000 PHE 81 1.000 31.385 9.171 12.049 -99.200 -91.000 TRP 92 1.040 23.972 12.478 2.836 -99.200 -91.000 TRP6 92 1.020 22.995 14.619 2.778 -99.200 -91.000 HIS 111 0.900 36.872 17.426 26.003 -99.200 -91.000 PHE 120 1.000 28.697 33.266 17.927 -99.200 -91.000 HIS 136 0.900 21.724 26.256 24.660 -99.200 -91.000 HIS 138 0.900 25.046 17.122 26.772 -99.200 -91.000 TYR 160 0.840 25.388 30.756 -8.472 -99.200 -91.000 TYR 161 0.840 20.805 26.222 -7.288 -99.200 -91.000 HIS 176 0.900 14.650 36.062 5.024 -99.200 -91.000 HIS 181 0.900 21.242 22.404 6.210 -99.200 -91.000 TYR 191 0.840 8.921 36.700 4.626 -99.200 -91.000 PHE 201 1.000 13.127 41.134 -10.807 -99.200 -91.000 PHE 216 1.000 10.757 28.318 -4.152 -99.200 -91.000 HIS 230 0.900 33.365 10.158 -7.127 -99.200 -91.000 TYR 234 0.840 34.980 20.110 0.178 -99.200 -91.000 TYR 248 0.840 31.317 36.427 18.311 -99.200 -91.000 TYR 266 0.840 9.456 31.961 13.131 -99.200 -91.000 HIS 268 0.900 7.339 25.421 16.866 -99.200 -91.000 PHE 272 1.000 19.679 26.122 19.777 -99.200 -91.000 PHE 300 1.000 9.728 28.054 12.167 -99.200 -91.000 HIS 315 0.900 18.963 15.595 24.215 -99.200 -91.000 HIS 316 0.900 18.789 5.862 23.307 -99.200 -91.000