============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. HIS 7 0.900 21.354 27.015 2.009 -99.200 -91.000 PHE 15 1.000 13.068 16.755 -9.330 -99.200 -91.000 HIS 16 0.900 15.471 20.145 -12.705 -99.200 -91.000 TYR 18 0.840 19.276 11.074 -7.796 -99.200 -91.000 HIS 24 0.900 8.831 16.420 -19.039 -99.200 -91.000 PHE 25 1.000 12.967 19.243 -18.665 -99.200 -91.000 PHE 58 1.000 12.501 4.548 1.253 -99.200 -91.000 PHE 71 1.000 12.211 21.300 -6.393 -99.200 -91.000 PHE 74 1.000 13.561 16.291 -4.198 -99.200 -91.000 HIS 85 0.900 13.189 14.568 17.078 -99.200 -91.000 TYR 86 0.840 12.382 20.108 11.417 -99.200 -91.000 HIS 87 0.900 18.494 15.869 15.264 -99.200 -91.000 HIS 89 0.900 23.088 17.557 12.258 -99.200 -91.000