============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 25 1.000 -3.090 -1.791 44.772 -99.200 -91.000 PHE 38 1.000 -4.436 -9.919 41.007 -99.200 -91.000 HIS 39 0.900 -1.288 -14.673 41.488 -99.200 -91.000 PHE 47 1.000 -10.204 -11.418 41.009 -99.200 -91.000 PHE 52 1.000 -9.541 -0.377 47.562 -99.200 -91.000 PHE 72 1.000 -8.011 -3.187 52.073 -99.200 -91.000 HIS 73 0.900 -3.847 -10.128 53.789 -99.200 -91.000 PHE 75 1.000 -13.388 -7.003 55.944 -99.200 -91.000 HIS 79 0.900 -17.410 -14.716 43.177 -99.200 -91.000 HIS 106 0.900 -27.952 -10.679 53.525 -99.200 -91.000 HIS 114 0.900 -14.477 5.008 31.962 -99.200 -91.000 TYR 115 0.840 -16.267 5.940 37.974 -99.200 -91.000