============================================================================= 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 -9.319 3.167 0.541 -99.200 -91.000 PHE 14 1.000 -7.758 0.231 5.643 -99.200 -91.000 TRP 25 1.040 9.469 7.044 1.987 -99.200 -91.000 TRP6 25 1.020 11.146 7.640 0.431 -99.200 -91.000 HIS 41 0.900 8.628 -0.007 -2.431 -99.200 -91.000 TYR 46 0.840 14.885 3.932 2.431 -99.200 -91.000 PHE 51 1.000 10.819 5.746 7.141 -99.200 -91.000 HIS 75 0.900 7.708 -12.536 3.961 -99.200 -91.000 TYR 78 0.840 12.145 -5.971 0.475 -99.200 -91.000 TYR 102 0.840 -7.421 -0.225 15.307 -99.200 -91.000 TRP 123 1.040 -2.426 11.724 1.315 -99.200 -91.000 TRP6 123 1.020 -2.796 9.835 2.692 -99.200 -91.000 TYR 154 0.840 4.927 -5.431 -15.101 -99.200 -91.000 PHE 164 1.000 -3.483 -7.860 -5.454 -99.200 -91.000 TRP 197 1.040 6.677 -4.899 -8.461 -99.200 -91.000 TRP6 197 1.020 7.204 -5.477 -10.692 -99.200 -91.000 TYR 206 0.840 4.827 -2.413 -19.864 -99.200 -91.000 TYR 210 0.840 -1.796 -2.674 -6.652 -99.200 -91.000 PHE 219 1.000 6.167 -9.965 7.849 -99.200 -91.000 TYR 223 0.840 7.460 -10.746 13.068 -99.200 -91.000