============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 5 1.000 -18.521 -5.985 21.333 -99.200 -91.000 HIS 6 0.900 -22.862 -11.718 19.041 -99.200 -91.000 TYR 13 0.840 -13.669 -10.588 18.474 -99.200 -91.000 HIS 43 0.900 -2.986 -14.790 40.222 -99.200 -91.000 HIS 46 0.900 -3.192 -13.370 36.485 -99.200 -91.000 PHE 66 1.000 1.505 -14.728 22.195 -99.200 -91.000 TYR 73 0.840 3.522 -19.802 32.650 -99.200 -91.000 PHE 93 1.000 -5.250 -10.630 20.056 -99.200 -91.000 TYR 101 0.840 6.260 -12.911 18.532 -99.200 -91.000 HIS 126 0.900 10.950 -11.432 31.636 -99.200 -91.000 PHE 127 1.000 12.166 -6.953 32.814 -99.200 -91.000 PHE 147 1.000 -6.481 -0.409 33.319 -99.200 -91.000 PHE 148 1.000 1.453 -3.647 31.246 -99.200 -91.000 TYR 153 0.840 7.637 0.092 40.934 -99.200 -91.000 PHE 166 1.000 10.186 2.330 20.931 -99.200 -91.000 TYR 192 0.840 4.046 -25.252 40.622 -99.200 -91.000 HIS 213 0.900 4.355 0.501 58.392 -99.200 -91.000 TYR 240 0.840 16.094 -8.400 42.855 -99.200 -91.000