============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TRP 7 1.040 19.207 -19.744 15.992 -99.200 -91.000 TRP6 7 1.020 19.060 -20.725 13.832 -99.200 -91.000 TRP 14 1.040 9.626 -22.867 8.296 -99.200 -91.000 TRP6 14 1.020 10.744 -22.694 6.229 -99.200 -91.000 HIS 24 0.900 4.999 -19.170 1.430 -99.200 -91.000 PHE 33 1.000 13.178 -25.996 -11.379 -99.200 -91.000 HIS 36 0.900 20.103 -18.388 -11.101 -99.200 -91.000 PHE 43 1.000 15.275 -30.423 -9.484 -99.200 -91.000 PHE 46 1.000 9.999 -31.132 -10.913 -99.200 -91.000 HIS 48 0.900 7.512 -32.358 -17.493 -99.200 -91.000 HIS 64 0.900 11.739 -31.879 -5.411 -99.200 -91.000 HIS 81 0.900 22.605 -26.840 19.027 -99.200 -91.000 HIS 82 0.900 22.396 -27.079 10.778 -99.200 -91.000 HIS 93 0.900 20.150 -32.239 -2.291 -99.200 -91.000 HIS 97 0.900 19.534 -35.755 -5.389 -99.200 -91.000 TYR 103 0.840 23.403 -25.495 -10.372 -99.200 -91.000 PHE 106 1.000 22.785 -19.786 -9.255 -99.200 -91.000 HIS 113 0.900 12.009 -12.085 -6.180 -99.200 -91.000 HIS 116 0.900 11.784 -8.619 1.071 -99.200 -91.000 HIS 119 0.900 4.445 -13.967 3.365 -99.200 -91.000 PHE 123 1.000 11.905 -11.666 4.684 -99.200 -91.000 PHE 138 1.000 20.406 -25.763 3.814 -99.200 -91.000 TYR 146 0.840 27.989 -29.985 -1.860 -99.200 -91.000 PHE 151 1.000 29.444 -32.101 -6.108 -99.200 -91.000