============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 5 1.000 -18.377 -5.839 21.233 -99.200 -91.000 HIS 6 0.900 -22.983 -11.264 18.847 -99.200 -91.000 TYR 13 0.840 -13.488 -10.570 18.637 -99.200 -91.000 HIS 43 0.900 -2.861 -14.112 39.792 -99.200 -91.000 HIS 46 0.900 -3.694 -12.816 36.100 -99.200 -91.000 PHE 66 1.000 1.460 -14.723 22.333 -99.200 -91.000 PHE 89 1.000 -5.231 -10.564 20.256 -99.200 -91.000 TYR 97 0.840 6.339 -13.191 18.512 -99.200 -91.000 HIS 122 0.900 11.157 -11.577 31.843 -99.200 -91.000 PHE 123 1.000 12.786 -7.086 33.009 -99.200 -91.000 PHE 143 1.000 -6.519 -0.455 33.585 -99.200 -91.000 PHE 144 1.000 1.358 -3.683 31.647 -99.200 -91.000 TYR 149 0.840 8.062 -0.079 40.976 -99.200 -91.000 PHE 162 1.000 10.345 2.228 21.093 -99.200 -91.000 TYR 188 0.840 4.058 -24.990 40.598 -99.200 -91.000 HIS 209 0.900 4.386 0.463 58.504 -99.200 -91.000 TYR 236 0.840 16.725 -8.080 43.129 -99.200 -91.000