============================================================================= 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 -18.342 -6.289 21.438 -99.200 -91.000 HIS 6 0.900 -22.309 -12.220 19.291 -99.200 -91.000 TYR 13 0.840 -13.179 -10.798 18.653 -99.200 -91.000 HIS 43 0.900 -2.751 -13.953 40.061 -99.200 -91.000 HIS 46 0.900 -3.489 -12.931 36.061 -99.200 -91.000 PHE 66 1.000 1.562 -14.816 22.491 -99.200 -91.000 PHE 72 1.000 14.281 -15.325 29.431 -99.200 -91.000 PHE 92 1.000 -5.044 -10.776 20.247 -99.200 -91.000 TYR 100 0.840 6.469 -12.960 18.783 -99.200 -91.000 HIS 125 0.900 11.132 -11.380 31.856 -99.200 -91.000 PHE 126 1.000 12.514 -7.044 32.949 -99.200 -91.000 PHE 146 1.000 -6.583 -0.301 33.597 -99.200 -91.000 PHE 147 1.000 1.310 -3.849 31.504 -99.200 -91.000 TYR 152 0.840 7.862 -0.173 40.908 -99.200 -91.000 PHE 165 1.000 10.145 2.442 21.046 -99.200 -91.000 TYR 191 0.840 3.983 -24.803 40.526 -99.200 -91.000 HIS 212 0.900 4.355 0.487 58.451 -99.200 -91.000 TYR 239 0.840 16.283 -8.206 42.968 -99.200 -91.000