============================================================================= 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 61.179 14.343 8.633 -99.200 -91.000 PHE 7 1.000 70.497 13.925 13.966 -99.200 -91.000 PHE 25 1.000 59.477 17.103 0.845 -99.200 -91.000 TRP 32 1.040 65.985 11.310 8.984 -99.200 -91.000 TRP6 32 1.020 67.951 11.429 10.276 -99.200 -91.000 TYR 42 0.840 72.752 3.720 13.353 -99.200 -91.000 TYR 58 0.840 58.327 21.169 16.098 -99.200 -91.000 TRP 82 1.040 66.929 -6.544 14.501 -99.200 -91.000 TRP6 82 1.020 69.121 -5.691 14.659 -99.200 -91.000 TYR 85 0.840 57.478 3.654 16.983 -99.200 -91.000 PHE 95 1.000 48.863 32.376 22.400 -99.200 -91.000 TYR 129 0.840 64.088 5.699 44.843 -99.200 -91.000 PHE 132 1.000 66.008 9.744 40.362 -99.200 -91.000 PHE 135 1.000 69.376 16.759 34.480 -99.200 -91.000 PHE 153 1.000 55.782 11.210 36.725 -99.200 -91.000 TRP 160 1.040 66.384 14.401 37.256 -99.200 -91.000 TRP6 160 1.020 65.614 12.493 36.078 -99.200 -91.000 TYR 170 0.840 62.109 25.428 32.908 -99.200 -91.000 TYR 186 0.840 65.447 3.748 28.623 -99.200 -91.000 TRP 210 1.040 53.585 30.198 25.662 -99.200 -91.000 TRP6 210 1.020 55.695 29.267 25.128 -99.200 -91.000 TYR 213 0.840 51.997 20.527 26.560 -99.200 -91.000 PHE 223 1.000 72.145 -11.637 27.370 -99.200 -91.000 TYR 257 0.840 64.601 31.728 9.220 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs =============================================================================