============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 6 1.000 49.025 86.278 27.296 -99.200 -91.000 PHE 8 1.000 53.937 88.872 23.304 -99.200 -91.000 PHE 17 1.000 67.682 80.466 32.527 -99.200 -91.000 TYR 23 0.840 54.520 78.298 34.368 -99.200 -91.000 HIS 29 0.900 47.213 79.241 33.960 -99.200 -91.000 TYR 33 0.840 51.524 83.824 21.383 -99.200 -91.000 TYR 44 0.840 51.521 87.434 18.716 -99.200 -91.000 TYR 50 0.840 42.433 97.184 22.841 -99.200 -91.000 PHE 63 1.000 61.014 87.374 29.715 -99.200 -91.000 PHE 76 1.000 60.647 96.338 26.812 -99.200 -91.000 PHE 83 1.000 52.010 98.456 26.761 -99.200 -91.000 PHE 84 1.000 44.866 102.855 23.254 -99.200 -91.000 PHE 87 1.000 41.972 101.294 26.773 -99.200 -91.000 PHE 167 1.000 71.458 101.240 28.127 -99.200 -91.000 HIS 190 0.900 91.164 101.972 38.827 -99.200 -91.000 PHE 191 1.000 86.162 98.581 39.608 -99.200 -91.000 PHE 193 1.000 82.376 93.827 34.971 -99.200 -91.000 TRP 208 1.040 93.331 87.345 36.601 -99.200 -91.000 TRP6 208 1.020 92.690 87.349 38.882 -99.200 -91.000 TYR 220 0.840 78.941 88.903 32.914 -99.200 -91.000 TYR 240 0.840 90.972 84.166 43.641 -99.200 -91.000 PHE 246 1.000 81.697 89.837 43.075 -99.200 -91.000 HIS 259 0.900 64.432 85.799 34.232 -99.200 -91.000 PHE 267 1.000 52.048 88.528 36.530 -99.200 -91.000 PHE 274 1.000 60.143 95.863 36.603 -99.200 -91.000 TYR 280 0.840 72.872 98.783 38.356 -99.200 -91.000