============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 4 1.000 58.746 -5.819 34.037 -99.200 -91.000 PHE 7 1.000 59.215 -7.620 41.759 -99.200 -91.000 PHE 25 1.000 54.764 -2.706 29.088 -99.200 -91.000 TRP 32 1.040 57.195 -7.260 37.474 -99.200 -91.000 TRP6 32 1.020 55.899 -5.291 37.509 -99.200 -91.000 TYR 42 0.840 52.425 -14.492 45.951 -99.200 -91.000 TYR 58 0.840 51.540 7.100 36.076 -99.200 -91.000 TRP 82 1.040 41.939 -16.912 48.513 -99.200 -91.000 TRP6 82 1.020 43.960 -15.761 48.895 -99.200 -91.000 TYR 85 0.840 41.216 -9.652 41.198 -99.200 -91.000 PHE 95 1.000 48.989 23.278 33.803 -99.200 -91.000 TYR 129 0.840 41.714 -0.123 65.668 -99.200 -91.000 PHE 132 1.000 34.437 5.865 58.891 -99.200 -91.000 PHE 135 1.000 41.769 7.622 59.218 -99.200 -91.000 PHE 153 1.000 29.090 2.708 54.763 -99.200 -91.000 TRP 160 1.040 37.742 7.238 57.146 -99.200 -91.000 TRP6 160 1.020 37.780 5.301 55.820 -99.200 -91.000 TYR 170 0.840 45.953 14.494 52.424 -99.200 -91.000 TYR 186 0.840 36.077 -7.098 51.539 -99.200 -91.000 TRP 210 1.040 48.515 16.914 41.938 -99.200 -91.000 TRP6 210 1.020 48.897 15.764 43.959 -99.200 -91.000 TYR 213 0.840 41.199 9.654 41.215 -99.200 -91.000 PHE 223 1.000 33.804 -23.275 48.988 -99.200 -91.000 TYR 257 0.840 68.499 0.858 38.223 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs =============================================================================