============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. HIS 5 0.900 2.253 -1.612 23.223 -99.200 -91.000 PHE 19 1.000 13.845 10.812 12.719 -99.200 -91.000 TYR 23 0.840 17.762 9.719 9.773 -99.200 -91.000 PHE 24 1.000 17.031 6.905 16.044 -99.200 -91.000 PHE 36 1.000 -1.780 0.183 15.568 -99.200 -91.000 PHE 44 1.000 9.646 -1.114 24.020 -99.200 -91.000 TYR 55 0.840 3.978 12.350 23.256 -99.200 -91.000 PHE 59 1.000 7.457 10.600 25.922 -99.200 -91.000 HIS 60 0.900 14.346 12.226 27.352 -99.200 -91.000 PHE 63 1.000 15.127 4.682 19.349 -99.200 -91.000 PHE 83 1.000 15.342 14.832 10.246 -99.200 -91.000 HIS 90 0.900 31.882 13.190 26.373 -99.200 -91.000 TYR 93 0.840 29.514 11.758 22.803 -99.200 -91.000 PHE 95 1.000 22.134 12.822 18.657 -99.200 -91.000 TYR 96 0.840 18.189 14.784 25.208 -99.200 -91.000 PHE 103 1.000 8.582 10.181 18.493 -99.200 -91.000