============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 11 rings ring int. center anis. iso. PHE 9 1.000 24.204 55.722 82.482 -99.200 -91.000 PHE 13 1.000 14.388 50.371 82.001 -99.200 -91.000 PHE 16 1.000 17.339 50.734 74.435 -99.200 -91.000 PHE 62 1.000 16.935 53.031 86.099 -99.200 -91.000 PHE 65 1.000 19.663 50.799 80.205 -99.200 -91.000 PHE 86 1.000 27.525 62.719 62.541 -99.200 -91.000 PHE 89 1.000 20.292 61.491 67.124 -99.200 -91.000 TYR 96 0.840 28.006 70.920 59.580 -99.200 -91.000 HIS 104 0.900 12.161 64.046 59.453 -99.200 -91.000 TYR 135 0.840 32.133 61.918 64.879 -99.200 -91.000 PHE 138 1.000 25.263 62.625 67.958 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs =============================================================================