============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 5 1.000 48.904 21.689 -22.422 -99.200 -91.000 PHE 15 1.000 53.796 19.930 -6.921 -99.200 -91.000 TYR 16 0.840 46.112 27.631 -4.783 -99.200 -91.000 TRP 21 1.040 51.783 34.942 2.468 -99.200 -91.000 TRP6 21 1.020 53.326 35.420 0.743 -99.200 -91.000 HIS 27 0.900 57.636 28.936 4.228 -99.200 -91.000 TYR 45 0.840 57.341 31.949 -12.463 -99.200 -91.000 TRP 53 1.040 59.040 25.573 -3.856 -99.200 -91.000 TRP6 53 1.020 58.038 23.952 -5.259 -99.200 -91.000 TRP 60 1.040 67.942 22.994 -19.537 -99.200 -91.000 TRP6 60 1.020 65.856 22.427 -20.491 -99.200 -91.000 TRP 69 1.040 54.441 32.148 -22.803 -99.200 -91.000 TRP6 69 1.020 55.791 30.203 -22.808 -99.200 -91.000 PHE 75 1.000 45.735 24.107 -22.402 -99.200 -91.000 HIS 76 0.900 51.862 29.408 -22.813 -99.200 -91.000 HIS 93 0.900 65.659 1.083 -17.239 -99.200 -91.000 HIS 113 0.900 60.626 18.260 -22.130 -99.200 -91.000 TYR 120 0.840 45.974 27.651 -9.054 -99.200 -91.000 TYR 145 0.840 49.362 5.854 -19.968 -99.200 -91.000