============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. TYR 4 0.840 27.102 42.531 -2.584 -99.200 -91.000 HIS 27 0.900 34.585 64.663 -0.457 -99.200 -91.000 PHE 28 1.000 27.342 67.933 3.910 -99.200 -91.000 TYR 40 0.840 30.794 58.908 -7.698 -99.200 -91.000 TYR 64 0.840 10.297 54.496 -17.936 -99.200 -91.000 TYR 71 0.840 18.435 55.004 -13.257 -99.200 -91.000 PHE 78 1.000 16.916 49.460 -8.404 -99.200 -91.000 PHE 82 1.000 11.712 59.913 3.472 -99.200 -91.000 PHE 90 1.000 7.219 59.646 3.498 -99.200 -91.000 HIS 94 0.900 3.193 56.521 -1.742 -99.200 -91.000 TYR 96 0.840 11.876 59.274 -7.584 -99.200 -91.000 TYR 137 0.840 6.700 51.609 -0.293 -99.200 -91.000 TYR 141 0.840 12.715 55.697 7.675 -99.200 -91.000 PHE 156 1.000 25.277 54.265 -0.197 -99.200 -91.000 TYR 157 0.840 28.789 49.063 4.729 -99.200 -91.000 HIS 166 0.900 15.743 39.459 -5.687 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs =============================================================================