============================================================================= 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 23.322 55.319 82.501 -99.200 -91.000 PHE 13 1.000 13.129 51.367 82.173 -99.200 -91.000 PHE 16 1.000 16.335 50.879 74.112 -99.200 -91.000 PHE 62 1.000 16.380 53.447 85.902 -99.200 -91.000 PHE 65 1.000 18.189 50.789 79.825 -99.200 -91.000 PHE 86 1.000 26.741 63.126 62.857 -99.200 -91.000 PHE 89 1.000 20.255 61.253 67.130 -99.200 -91.000 TYR 96 0.840 27.608 70.885 59.503 -99.200 -91.000 HIS 104 0.900 11.143 64.619 60.301 -99.200 -91.000 TYR 135 0.840 31.571 61.814 64.788 -99.200 -91.000 PHE 138 1.000 25.517 61.848 68.035 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs =============================================================================