============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 27 1.000 95.462 -97.769-292.755 -99.200 -91.000 TYR 32 0.840 98.636 -93.427-292.856 -99.200 -91.000 TRP 35 1.040 90.235 -96.584-280.459 -99.200 -91.000 TRP6 35 1.020 88.755 -98.082-281.536 -99.200 -91.000 TRP 46 1.040 90.285 -87.438-280.011 -99.200 -91.000 TRP6 46 1.020 91.458 -86.706-278.081 -99.200 -91.000 TYR 55 0.840 105.946 -88.172-278.437 -99.200 -91.000 HIS 57 0.900 97.968 -85.978-276.967 -99.200 -91.000 TYR 58 0.840 94.319 -92.470-272.829 -99.200 -91.000 PHE 66 1.000 87.059 -95.442-272.257 -99.200 -91.000 TYR 78 0.840 94.691-104.958-280.605 -99.200 -91.000 TYR 91 0.840 83.087 -95.891-277.578 -99.200 -91.000 TYR 92 0.840 81.655 -93.916-285.996 -99.200 -91.000 TYR 103 0.840 107.081 -84.519-282.677 -99.200 -91.000 PHE 108 1.000 90.020 -87.360-286.101 -99.200 -91.000 TRP 111 1.040 85.979 -90.605-289.937 -99.200 -91.000 TRP6 111 1.020 85.095 -89.906-287.871 -99.200 -91.000 PHE 129 1.000 54.297-110.558-281.521 -99.200 -91.000 TYR 152 0.840 65.246-104.810-280.939 -99.200 -91.000 PHE 153 1.000 68.911-102.973-273.725 -99.200 -91.000 TRP 161 1.040 61.021-107.055-295.805 -99.200 -91.000 TRP6 161 1.020 58.971-107.888-294.997 -99.200 -91.000 HIS 171 0.900 60.134 -96.414-297.251 -99.200 -91.000 PHE 173 1.000 58.546 -96.825-290.468 -99.200 -91.000 TYR 183 0.840 67.135 -99.835-277.978 -99.200 -91.000 TYR 201 0.840 54.916-110.338-301.065 -99.200 -91.000 HIS 207 0.900 68.534-108.798-280.599 -99.200 -91.000