============================================================================= 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. PHE 6 1.000 9.678 15.891 26.884 -99.200 -91.000 HIS 8 0.900 0.579 10.976 24.818 -99.200 -91.000 TYR 22 0.840 14.571 5.014 29.785 -99.200 -91.000 PHE 31 1.000 23.637 6.881 32.747 -99.200 -91.000 TYR 47 0.840 -7.496 3.962 42.061 -99.200 -91.000 TYR 51 0.840 -3.638 0.773 45.266 -99.200 -91.000 PHE 52 1.000 0.521 0.798 42.728 -99.200 -91.000 HIS 75 0.900 6.319 12.046 22.892 -99.200 -91.000 HIS 96 0.900 2.464 1.785 22.791 -99.200 -91.000 HIS 97 0.900 2.122 5.126 20.433 -99.200 -91.000 PHE 102 1.000 12.157 11.250 16.296 -99.200 -91.000 TYR 109 0.840 18.539 2.342 23.504 -99.200 -91.000 TYR 110 0.840 12.530 5.757 17.508 -99.200 -91.000 TYR 126 0.840 13.008 -0.555 35.860 -99.200 -91.000 PHE 152 1.000 -4.321 -7.070 31.370 -99.200 -91.000 TYR 179 0.840 -4.097 -0.375 40.379 -99.200 -91.000