============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 15 1.000 -1.796 -3.197 -4.458 -99.200 -91.000 PHE 29 1.000 8.238 6.404 -5.879 -99.200 -91.000 HIS 35 0.900 -11.269 -0.632 -6.737 -99.200 -91.000 HIS 46 0.900 -8.282 -3.449 -3.941 -99.200 -91.000 TRP 48 1.040 1.456 1.134 -2.576 -99.200 -91.000 TRP6 48 1.020 3.111 2.491 -1.553 -99.200 -91.000 TYR 72 0.840 -10.846 -3.288 7.305 -99.200 -91.000 HIS 83 0.900 -1.737 5.832 5.918 -99.200 -91.000 PHE 97 1.000 7.428 7.001 -0.027 -99.200 -91.000 TYR 108 0.840 12.279 -0.188 3.034 -99.200 -91.000 PHE 110 1.000 3.642 -2.735 -4.037 -99.200 -91.000 PHE 111 1.000 1.745 -4.166 3.892 -99.200 -91.000 PHE 114 1.000 -11.724 -4.717 2.280 -99.200 -91.000