============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. HIS 18 0.900 -5.638 3.311 74.228 -99.200 -91.000 PHE 29 1.000 -6.733 4.480 80.497 -99.200 -91.000 TYR 39 0.840 4.702 1.125 68.482 -99.200 -91.000 TYR 84 0.840 -10.593 5.984 64.071 -99.200 -91.000 PHE 85 1.000 -7.610 4.369 67.848 -99.200 -91.000 TYR 94 0.840 3.986 22.693 81.018 -99.200 -91.000 PHE 107 1.000 14.082 12.135 71.465 -99.200 -91.000 HIS 123 0.900 11.886 5.847 69.324 -99.200 -91.000 PHE 135 1.000 13.818 1.871 64.498 -99.200 -91.000 HIS 142 0.900 -1.655 11.978 77.677 -99.200 -91.000 TYR 145 0.840 2.346 4.575 76.872 -99.200 -91.000 PHE 153 1.000 10.593 -0.762 76.016 -99.200 -91.000 TYR 185 0.840 13.070 16.961 73.651 -99.200 -91.000 HIS 190 0.900 6.395 21.078 68.206 -99.200 -91.000