============================================================================= 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 15 1.000 8.185 -9.871 -8.238 -99.200 -91.000 HIS 16 0.900 4.035 -14.125 -6.351 -99.200 -91.000 TYR 18 0.840 1.474 -5.735 -13.802 -99.200 -91.000 HIS 26 0.900 9.376 -16.516 -7.654 -99.200 -91.000 HIS 43 0.900 -4.111 6.806 -10.035 -99.200 -91.000 PHE 44 1.000 1.342 6.681 -5.271 -99.200 -91.000 PHE 71 1.000 8.665 -9.642 -3.130 -99.200 -91.000 PHE 74 1.000 7.435 -4.842 -6.855 -99.200 -91.000 PHE 77 1.000 9.723 0.830 -9.117 -99.200 -91.000 HIS 86 0.900 7.629 10.167 4.734 -99.200 -91.000 PHE 88 1.000 2.699 15.039 -4.009 -99.200 -91.000 PHE 89 1.000 0.593 12.160 -0.237 -99.200 -91.000