============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 13 1.000 -44.212 5.246 15.086 -99.200 -91.000 PHE 16 1.000 -47.242 -3.092 4.551 -99.200 -91.000 PHE 23 1.000 -31.377 -5.681 5.096 -99.200 -91.000 TYR 26 0.840 -43.231 1.964 2.408 -99.200 -91.000 PHE 27 1.000 -40.428 1.048 10.501 -99.200 -91.000 HIS 30 0.900 -51.375 -0.951 14.659 -99.200 -91.000 PHE 38 1.000 -55.289 -4.893 33.145 -99.200 -91.000 HIS 46 0.900 -69.432 -5.669 27.697 -99.200 -91.000 PHE 60 1.000 -45.829 10.313 17.125 -99.200 -91.000 TYR 67 0.840 -56.557 3.249 19.866 -99.200 -91.000 HIS 77 0.900 -57.932 10.893 37.419 -99.200 -91.000 PHE 85 1.000 -39.106 11.631 24.731 -99.200 -91.000 TYR 89 0.840 -43.687 -0.397 21.525 -99.200 -91.000 PHE 90 1.000 -39.281 3.296 15.292 -99.200 -91.000 TYR 95 0.840 -32.447 -11.293 11.424 -99.200 -91.000 TYR 105 0.840 -38.958 -0.648 24.922 -99.200 -91.000 TYR 106 0.840 -35.462 5.617 18.971 -99.200 -91.000 TYR 124 0.840 -59.672 8.546 39.921 -99.200 -91.000 HIS 132 0.900 -52.603 -4.747 35.528 -99.200 -91.000 PHE 152 1.000 -50.159 -2.777 43.040 -99.200 -91.000 TRP 169 1.040 -36.502 -4.390 35.239 -99.200 -91.000 TRP6 169 1.020 -37.195 -3.466 37.288 -99.200 -91.000 TYR 186 0.840 -48.526 -2.902 48.522 -99.200 -91.000 TYR 211 0.840 -51.745 -21.200 43.630 -99.200 -91.000 TYR 214 0.840 -45.254 -16.309 41.807 -99.200 -91.000 TYR 224 0.840 -46.077 -20.274 35.592 -99.200 -91.000 TYR 234 0.840 -51.555 -23.272 39.405 -99.200 -91.000 PHE 241 1.000 -53.006 -26.650 29.458 -99.200 -91.000 TYR 245 0.840 -58.319 -22.104 20.613 -99.200 -91.000 PHE 263 1.000 -57.611 -15.063 35.147 -99.200 -91.000 TYR 267 0.840 -61.097 -13.837 40.420 -99.200 -91.000 TYR 275 0.840 -67.069 -16.668 30.966 -99.200 -91.000 HIS 279 0.900 -64.980 -15.216 27.626 -99.200 -91.000 PHE 306 1.000 -60.970 -17.815 19.711 -99.200 -91.000 PHE 310 1.000 -59.839 -20.804 15.705 -99.200 -91.000