============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TRP 5 1.040 22.055 20.344 -4.466 -99.200 -91.000 TRP6 5 1.020 20.340 21.918 -4.903 -99.200 -91.000 HIS 10 0.900 30.144 36.611 -15.317 -99.200 -91.000 HIS 21 0.900 18.037 17.639 -6.420 -99.200 -91.000 TYR 26 0.840 14.554 23.837 -5.825 -99.200 -91.000 TYR 42 0.840 26.113 34.212 3.365 -99.200 -91.000 PHE 43 1.000 24.134 29.594 -3.964 -99.200 -91.000 TRP 51 1.040 16.868 22.662 -1.132 -99.200 -91.000 TRP6 51 1.020 14.848 21.455 -1.223 -99.200 -91.000 HIS 57 0.900 30.334 18.781 -12.587 -99.200 -91.000 PHE 64 1.000 32.922 24.319 -6.241 -99.200 -91.000 TRP 73 1.040 36.473 20.641 7.985 -99.200 -91.000 TRP6 73 1.020 36.056 22.234 9.687 -99.200 -91.000 TRP 74 1.040 30.867 24.166 10.409 -99.200 -91.000 TRP6 74 1.020 28.508 24.244 10.240 -99.200 -91.000 PHE 81 1.000 36.688 14.856 -7.423 -99.200 -91.000 HIS 106 0.900 16.831 47.925 -8.387 -99.200 -91.000 PHE 116 1.000 6.575 32.371 -8.082 -99.200 -91.000 HIS 118 0.900 13.736 25.942 -13.701 -99.200 -91.000 TYR 126 0.840 3.819 14.802 -10.562 -99.200 -91.000