============================================================================= 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 27.120 42.601 -2.589 -99.200 -91.000 HIS 27 0.900 34.488 64.770 -0.393 -99.200 -91.000 PHE 28 1.000 27.288 67.913 4.074 -99.200 -91.000 TYR 40 0.840 30.694 58.834 -7.570 -99.200 -91.000 TYR 64 0.840 10.379 54.604 -17.915 -99.200 -91.000 TYR 71 0.840 18.481 55.013 -13.487 -99.200 -91.000 PHE 78 1.000 16.880 49.515 -8.423 -99.200 -91.000 PHE 82 1.000 11.668 59.931 3.504 -99.200 -91.000 PHE 90 1.000 7.130 59.648 3.621 -99.200 -91.000 HIS 94 0.900 3.192 56.523 -1.577 -99.200 -91.000 TYR 96 0.840 11.859 59.227 -7.563 -99.200 -91.000 TYR 137 0.840 6.653 51.568 -0.313 -99.200 -91.000 TYR 141 0.840 12.754 55.616 7.682 -99.200 -91.000 PHE 156 1.000 25.124 54.386 0.124 -99.200 -91.000 TYR 157 0.840 28.910 49.069 4.656 -99.200 -91.000 HIS 166 0.900 15.776 39.463 -5.849 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs =============================================================================