============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 22 0.900 27.779 20.949 37.364 -99.200 -91.000 PHE 24 1.000 22.389 19.233 40.210 -99.200 -91.000 TRP 32 1.040 17.669 18.249 44.472 -99.200 -91.000 TRP6 32 1.020 16.222 19.811 43.449 -99.200 -91.000 PHE 35 1.000 16.568 20.993 32.523 -99.200 -91.000 HIS 47 0.900 22.787 34.457 27.005 -99.200 -91.000 PHE 55 1.000 13.014 26.036 32.517 -99.200 -91.000 TYR 60 0.840 13.364 22.895 35.924 -99.200 -91.000 TYR 69 0.840 34.678 34.848 40.285 -99.200 -91.000 TRP 70 1.040 34.069 34.602 45.756 -99.200 -91.000 TRP6 70 1.020 34.572 36.838 45.159 -99.200 -91.000 PHE 78 1.000 29.346 31.583 55.503 -99.200 -91.000 HIS 79 0.900 27.638 32.466 51.154 -99.200 -91.000 HIS 81 0.900 26.122 24.950 46.871 -99.200 -91.000 PHE 86 1.000 13.988 28.364 38.804 -99.200 -91.000 TYR 96 0.840 11.166 30.946 35.031 -99.200 -91.000 TYR 105 0.840 33.904 35.739 54.830 -99.200 -91.000 TYR 107 0.840 23.935 33.215 47.504 -99.200 -91.000