============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 5 0.840 35.849 -88.001 42.991 -99.200 -91.000 PHE 7 1.000 35.922 -86.769 37.398 -99.200 -91.000 PHE 12 1.000 47.953 -81.613 28.543 -99.200 -91.000 TYR 23 0.840 48.871 -76.122 41.235 -99.200 -91.000 TYR 75 0.840 61.403 -88.619 50.854 -99.200 -91.000 TYR 82 0.840 61.412 -92.695 49.809 -99.200 -91.000 HIS 94 0.900 61.325-109.372 44.514 -99.200 -91.000 TYR 97 0.840 64.754-107.521 34.750 -99.200 -91.000 TYR 101 0.840 63.570-110.903 31.686 -99.200 -91.000 TYR 104 0.840 67.263-109.068 43.309 -99.200 -91.000 PHE 130 1.000 52.652 -91.983 43.636 -99.200 -91.000 HIS 139 0.900 77.535-102.669 39.402 -99.200 -91.000 PHE 142 1.000 75.764-107.757 30.358 -99.200 -91.000 PHE 145 1.000 79.488 -98.717 40.799 -99.200 -91.000 TYR 148 0.840 69.136 -93.673 35.341 -99.200 -91.000 TYR 156 0.840 63.338 -92.661 32.941 -99.200 -91.000 PHE 157 1.000 64.990 -85.320 34.433 -99.200 -91.000 TRP 159 1.040 70.274 -85.672 37.416 -99.200 -91.000 TRP6 159 1.020 70.677 -83.455 36.700 -99.200 -91.000 PHE 174 1.000 80.549 -77.467 47.694 -99.200 -91.000 TRP 179 1.040 81.058 -85.672 39.394 -99.200 -91.000 TRP6 179 1.020 81.491 -85.912 37.084 -99.200 -91.000 HIS 190 0.900 85.810 -84.279 52.122 -99.200 -91.000 PHE 204 1.000 76.541 -82.249 58.164 -99.200 -91.000 TYR 223 0.840 73.392-117.270 50.226 -99.200 -91.000 PHE 234 1.000 71.057 -99.654 50.092 -99.200 -91.000