============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 10 0.840 82.350 8.685 17.291 -99.200 -91.000 PHE 11 1.000 79.635 8.691 20.681 -99.200 -91.000 PHE 27 1.000 54.613 3.274 0.338 -99.200 -91.000 PHE 53 1.000 54.310 12.588 16.277 -99.200 -91.000 TYR 63 0.840 58.628 11.261 -4.698 -99.200 -91.000 TYR 68 0.840 54.816 13.929 -7.340 -99.200 -91.000 PHE 76 1.000 62.210 7.548 -6.767 -99.200 -91.000 PHE 80 1.000 55.057 13.660 -1.551 -99.200 -91.000 TYR 97 0.840 66.003 26.861 11.258 -99.200 -91.000 TYR 105 0.840 61.327 17.354 7.087 -99.200 -91.000 PHE 111 1.000 56.701 8.267 4.077 -99.200 -91.000 TYR 114 0.840 69.017 10.028 13.008 -99.200 -91.000 TYR 132 0.840 52.176 22.341 17.094 -99.200 -91.000 TYR 143 0.840 45.912 30.524 5.001 -99.200 -91.000 PHE 170 1.000 43.903 21.091 8.446 -99.200 -91.000 HIS 181 0.900 24.726 25.515 3.143 -99.200 -91.000 PHE 194 1.000 36.631 15.102 11.603 -99.200 -91.000 TYR 206 0.840 31.647 8.151 -1.140 -99.200 -91.000 TYR 219 0.840 23.079 22.367 -1.282 -99.200 -91.000 TYR 227 0.840 40.176 21.533 -0.980 -99.200 -91.000 PHE 235 1.000 36.498 17.231 -13.430 -99.200 -91.000 PHE 253 1.000 44.189 13.535 -11.057 -99.200 -91.000 TYR 257 0.840 46.020 10.472 -6.726 -99.200 -91.000 PHE 285 1.000 47.006 25.100 -4.441 -99.200 -91.000 PHE 286 1.000 52.668 20.054 -7.742 -99.200 -91.000 HIS 289 0.900 52.954 24.561 -10.197 -99.200 -91.000 TYR 290 0.840 49.269 29.035 -6.220 -99.200 -91.000 TYR 294 0.840 54.667 25.697 3.244 -99.200 -91.000 HIS 300 0.900 45.493 33.267 9.518 -99.200 -91.000 PHE 325 1.000 48.296 3.699 10.759 -99.200 -91.000 PHE 332 1.000 56.149 -0.889 3.417 -99.200 -91.000 TYR 337 0.840 43.012 3.261 8.978 -99.200 -91.000 TYR 339 0.840 45.467 5.291 -1.969 -99.200 -91.000 HIS 353 0.900 62.475 10.677 21.961 -99.200 -91.000