============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 12 1.000 -9.338 3.174 0.519 -99.200 -91.000 PHE 14 1.000 -7.736 0.192 5.642 -99.200 -91.000 TRP 25 1.040 9.449 7.111 2.004 -99.200 -91.000 TRP6 25 1.020 11.141 7.717 0.475 -99.200 -91.000 HIS 41 0.900 8.613 -0.003 -2.467 -99.200 -91.000 TYR 46 0.840 14.891 4.020 2.388 -99.200 -91.000 PHE 51 1.000 10.816 5.830 7.135 -99.200 -91.000 HIS 75 0.900 7.816 -12.475 3.989 -99.200 -91.000 TYR 78 0.840 12.238 -5.837 0.452 -99.200 -91.000 TYR 102 0.840 -7.449 -0.239 15.320 -99.200 -91.000 TRP 123 1.040 -2.477 11.716 1.304 -99.200 -91.000 TRP6 123 1.020 -2.848 9.847 2.699 -99.200 -91.000 TYR 154 0.840 4.911 -5.491 -15.131 -99.200 -91.000 PHE 164 1.000 -3.436 -7.928 -5.433 -99.200 -91.000 TRP 197 1.040 6.671 -4.956 -8.487 -99.200 -91.000 TRP6 197 1.020 7.223 -5.523 -10.713 -99.200 -91.000 TYR 206 0.840 4.813 -2.573 -19.858 -99.200 -91.000 TYR 210 0.840 -1.783 -2.725 -6.645 -99.200 -91.000 PHE 219 1.000 6.269 -9.900 7.901 -99.200 -91.000 TYR 223 0.840 7.466 -10.805 13.188 -99.200 -91.000