============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TYR 19 0.840 -30.519 144.719 32.234 -99.200 -91.000 PHE 30 1.000 -47.325 145.978 34.520 -99.200 -91.000 HIS 61 0.900 -6.678 153.251 21.057 -99.200 -91.000 TYR 62 0.840 -6.199 152.903 26.943 -99.200 -91.000 TYR 63 0.840 0.427 145.367 22.495 -99.200 -91.000 HIS 64 0.900 -1.384 150.550 17.011 -99.200 -91.000 HIS 67 0.900 4.504 146.505 20.003 -99.200 -91.000 PHE 71 1.000 1.016 155.621 25.499 -99.200 -91.000 HIS 105 0.900 -27.655 145.647 44.107 -99.200 -91.000 PHE 107 1.000 -33.561 141.093 36.595 -99.200 -91.000 HIS 114 0.900 -32.351 134.699 37.779 -99.200 -91.000 TYR 118 0.840 -34.481 126.413 26.148 -99.200 -91.000 PHE 155 1.000 -19.714 130.303 4.712 -99.200 -91.000 TRP 197 1.040 -8.159 138.717 18.124 -99.200 -91.000 TRP6 197 1.020 -7.132 137.892 20.098 -99.200 -91.000 PHE 209 1.000 -19.855 135.890 0.773 -99.200 -91.000 HIS 212 0.900 -21.259 148.176 1.982 -99.200 -91.000 PHE 226 1.000 -14.296 151.902 9.710 -99.200 -91.000 PHE 235 1.000 -9.223 144.511 9.760 -99.200 -91.000 PHE 237 1.000 -10.966 145.795 5.495 -99.200 -91.000 PHE 283 1.000 -32.385 130.396 20.949 -99.200 -91.000 PHE 308 1.000 -42.405 147.229 20.275 -99.200 -91.000 TYR 316 0.840 -47.472 142.980 24.921 -99.200 -91.000 HIS 329 0.900 -28.179 151.605 20.530 -99.200 -91.000 HIS 348 0.900 -43.308 157.617 17.609 -99.200 -91.000 TYR 351 0.840 -37.880 150.371 15.064 -99.200 -91.000 TYR 359 0.840 -18.908 151.337 20.545 -99.200 -91.000 HIS 361 0.900 -8.834 155.731 18.341 -99.200 -91.000 TRP 366 1.040 -24.805 154.913 10.349 -99.200 -91.000 TRP6 366 1.020 -23.099 153.370 10.746 -99.200 -91.000 TYR 381 0.840 -28.215 164.707 -0.698 -99.200 -91.000 PHE 386 1.000 -14.110 171.318 10.960 -99.200 -91.000 PHE 388 1.000 -13.750 164.273 14.185 -99.200 -91.000 HIS 419 0.900 -24.162 159.351 7.628 -99.200 -91.000 TYR 438 0.840 -35.904 168.677 21.451 -99.200 -91.000 HIS 450 0.900 -21.853 172.345 19.740 -99.200 -91.000 HIS 452 0.900 -11.816 176.122 21.170 -99.200 -91.000 PHE 459 1.000 -23.656 167.229 15.336 -99.200 -91.000 PHE 468 1.000 -22.671 182.152 6.198 -99.200 -91.000 PHE 474 1.000 -11.598 171.910 5.283 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs =============================================================================