============================================================================= 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 -9.270 182.002 15.105 -99.200 -91.000 PHE 30 1.000 -19.402 193.626 7.097 -99.200 -91.000 HIS 61 0.900 -5.642 159.812 31.283 -99.200 -91.000 TYR 62 0.840 -3.199 158.995 25.928 -99.200 -91.000 TYR 63 0.840 5.096 159.344 33.138 -99.200 -91.000 HIS 64 0.900 -1.508 158.183 37.246 -99.200 -91.000 HIS 67 0.900 5.739 155.932 36.646 -99.200 -91.000 PHE 71 1.000 -1.313 151.769 29.002 -99.200 -91.000 HIS 105 0.900 -4.811 177.342 4.423 -99.200 -91.000 PHE 107 1.000 -6.930 186.044 10.322 -99.200 -91.000 HIS 114 0.900 -1.186 189.059 10.564 -99.200 -91.000 TYR 118 0.840 0.450 197.479 21.990 -99.200 -91.000 PHE 155 1.000 -0.745 186.927 46.387 -99.200 -91.000 TRP 197 1.040 3.612 171.039 35.785 -99.200 -91.000 TRP6 197 1.020 5.416 170.376 34.429 -99.200 -91.000 PHE 209 1.000 -9.806 185.005 50.923 -99.200 -91.000 HIS 212 0.900 -15.899 177.047 45.409 -99.200 -91.000 PHE 226 1.000 -11.989 168.427 39.882 -99.200 -91.000 PHE 235 1.000 -4.049 169.267 42.666 -99.200 -91.000 PHE 237 1.000 -7.338 170.237 45.809 -99.200 -91.000 PHE 283 1.000 -2.717 194.028 27.369 -99.200 -91.000 PHE 308 1.000 -21.546 191.064 21.996 -99.200 -91.000 TYR 316 0.840 -20.177 197.092 16.572 -99.200 -91.000 HIS 329 0.900 -16.891 177.542 25.802 -99.200 -91.000 HIS 348 0.900 -31.453 185.200 23.144 -99.200 -91.000 TYR 351 0.840 -23.315 186.373 27.765 -99.200 -91.000 TYR 359 0.840 -11.060 170.604 28.384 -99.200 -91.000 HIS 361 0.900 -9.601 160.506 32.757 -99.200 -91.000 TRP 366 1.040 -20.499 174.238 35.669 -99.200 -91.000 TRP6 366 1.020 -18.196 174.067 36.127 -99.200 -91.000 TYR 381 0.840 -33.039 172.331 43.652 -99.200 -91.000 PHE 386 1.000 -26.615 155.709 35.748 -99.200 -91.000 PHE 388 1.000 -19.980 159.166 34.087 -99.200 -91.000 HIS 419 0.900 -24.297 171.221 37.745 -99.200 -91.000 TYR 438 0.840 -33.750 172.316 19.771 -99.200 -91.000 HIS 450 0.900 -28.743 159.750 25.151 -99.200 -91.000 HIS 452 0.900 -25.707 149.262 26.405 -99.200 -91.000 PHE 459 1.000 -27.393 164.867 29.540 -99.200 -91.000 PHE 468 1.000 -40.829 155.425 36.889 -99.200 -91.000 PHE 474 1.000 -27.044 154.155 41.989 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs =============================================================================