============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 13 0.840 -28.771 -31.619 11.553 -99.200 -91.000 TYR 23 0.840 -22.845 -22.084 5.279 -99.200 -91.000 HIS 25 0.900 -21.362 -28.401 5.509 -99.200 -91.000 TRP 41 1.040 -26.034 -28.908 -1.768 -99.200 -91.000 TRP6 41 1.020 -26.426 -30.839 -0.462 -99.200 -91.000 HIS 52 0.900 -16.262 -33.192 -13.050 -99.200 -91.000 TYR 55 0.840 -5.242 -35.420 -6.954 -99.200 -91.000 TYR 68 0.840 -29.681 -29.602 -6.640 -99.200 -91.000 TYR 78 0.840 -7.144 -28.892 1.512 -99.200 -91.000 TRP 89 1.040 -2.221 -51.435 -5.604 -99.200 -91.000 TRP6 89 1.020 -3.357 -51.969 -7.616 -99.200 -91.000 TYR 101 0.840 -33.806 -33.535 13.466 -99.200 -91.000 TRP 110 1.040 -19.850 -43.708 -8.498 -99.200 -91.000 TRP6 110 1.020 -19.332 -45.636 -7.237 -99.200 -91.000 PHE 112 1.000 -12.519 -43.816 -10.113 -99.200 -91.000 HIS 128 0.900 -15.685 -45.037 -17.844 -99.200 -91.000 PHE 129 1.000 -16.820 -47.371 -11.188 -99.200 -91.000 PHE 131 1.000 -21.350 -49.441 -11.703 -99.200 -91.000 PHE 134 1.000 -26.101 -47.732 -9.244 -99.200 -91.000 PHE 148 1.000 -32.815 -50.743 -0.474 -99.200 -91.000 PHE 176 1.000 -15.603 -51.179 -10.259 -99.200 -91.000 TYR 177 0.840 -15.603 -57.805 -5.901 -99.200 -91.000 HIS 181 0.900 -0.804 -49.296 -9.052 -99.200 -91.000 TRP 183 1.040 2.904 -41.859 -6.920 -99.200 -91.000 TRP6 183 1.020 2.608 -40.280 -8.669 -99.200 -91.000 PHE 192 1.000 -9.593 -38.850 -7.758 -99.200 -91.000 PHE 196 1.000 -22.265 -38.250 -5.934 -99.200 -91.000 PHE 198 1.000 -27.353 -34.906 -5.129 -99.200 -91.000 PHE 213 1.000 -15.418 -40.648 -5.503 -99.200 -91.000 PHE 214 1.000 -15.973 -44.392 1.004 -99.200 -91.000 PHE 234 1.000 -13.489 -39.200 8.231 -99.200 -91.000