============================================================================= 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. TRP 6 1.040 25.907 27.161 -11.971 -99.200 -91.000 TRP6 6 1.020 26.691 25.367 -10.632 -99.200 -91.000 TRP 8 1.040 27.913 33.307 -6.811 -99.200 -91.000 TRP6 8 1.020 29.981 32.646 -5.868 -99.200 -91.000 TYR 22 0.840 25.676 23.150 15.116 -99.200 -91.000 PHE 23 1.000 21.474 27.355 13.774 -99.200 -91.000 PHE 38 1.000 15.384 33.304 23.028 -99.200 -91.000 TYR 39 0.840 18.371 25.392 20.763 -99.200 -91.000 PHE 50 1.000 16.926 22.858 1.768 -99.200 -91.000 TYR 53 0.840 19.897 31.481 -0.793 -99.200 -91.000 TYR 60 0.840 7.702 27.605 -8.289 -99.200 -91.000 PHE 67 1.000 13.600 46.614 -14.246 -99.200 -91.000 TYR 75 0.840 17.304 34.388 -9.154 -99.200 -91.000 TRP 76 1.040 9.034 34.659 -7.940 -99.200 -91.000 TRP6 76 1.020 8.094 33.255 -6.284 -99.200 -91.000 TYR 79 0.840 11.788 40.749 -3.021 -99.200 -91.000 TRP 82 1.040 15.075 38.142 2.229 -99.200 -91.000 TRP6 82 1.020 15.667 39.768 0.616 -99.200 -91.000 PHE 84 1.000 5.907 33.273 5.426 -99.200 -91.000 TYR 127 0.840 15.417 52.204 -13.985 -99.200 -91.000 TYR 129 0.840 5.666 55.525 -11.294 -99.200 -91.000 PHE 131 1.000 15.574 53.141 -9.045 -99.200 -91.000 TRP 133 1.040 6.470 50.824 -5.411 -99.200 -91.000 TRP6 133 1.020 4.711 50.966 -3.814 -99.200 -91.000 TRP 134 1.040 16.112 51.069 -2.300 -99.200 -91.000 TRP6 134 1.020 16.947 53.150 -1.530 -99.200 -91.000 TYR 143 0.840 8.872 52.288 13.589 -99.200 -91.000 TYR 146 0.840 13.244 55.716 16.859 -99.200 -91.000 PHE 149 1.000 21.200 50.761 17.178 -99.200 -91.000 PHE 150 1.000 17.752 55.892 19.421 -99.200 -91.000 PHE 152 1.000 13.771 46.380 22.064 -99.200 -91.000 PHE 162 1.000 18.761 43.960 22.193 -99.200 -91.000 TRP 173 1.040 18.565 42.381 9.365 -99.200 -91.000 TRP6 173 1.020 16.230 42.462 9.778 -99.200 -91.000 TYR 176 0.840 19.989 41.405 3.365 -99.200 -91.000 TRP 180 1.040 15.713 45.625 -4.264 -99.200 -91.000 TRP6 180 1.020 14.901 47.479 -5.466 -99.200 -91.000 PHE 199 1.000 20.231 40.722 -2.262 -99.200 -91.000 PHE 210 1.000 20.055 36.962 14.946 -99.200 -91.000 PHE 221 1.000 19.399 26.755 28.153 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs =============================================================================