============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. PHE 8 1.000 57.956 -30.612 89.598 -99.200 -91.000 PHE 20 1.000 65.602 -20.917 73.438 -99.200 -91.000 PHE 26 1.000 73.249 -14.952 69.372 -99.200 -91.000 HIS 48 0.900 51.262 -17.773 77.173 -99.200 -91.000 HIS 49 0.900 49.722 -28.042 76.269 -99.200 -91.000 PHE 50 1.000 52.779 -27.988 79.922 -99.200 -91.000 HIS 72 0.900 60.193 -20.566 91.780 -99.200 -91.000 HIS 76 0.900 61.189 -18.965 87.702 -99.200 -91.000 PHE 89 1.000 67.217 -3.509 77.941 -99.200 -91.000 TYR 93 0.840 72.515 -3.011 72.738 -99.200 -91.000