============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. TYR 2 0.840 98.839 25.768 44.893 -99.200 -91.000 PHE 11 1.000 85.061 10.237 50.689 -99.200 -91.000 PHE 31 1.000 76.394 14.234 32.494 -99.200 -91.000 PHE 37 1.000 73.759 6.963 47.023 -99.200 -91.000 PHE 41 1.000 83.937 3.312 44.564 -99.200 -91.000 TYR 51 0.840 77.228 24.108 43.854 -99.200 -91.000 PHE 57 1.000 71.533 15.752 35.113 -99.200 -91.000 PHE 69 1.000 72.278 14.184 29.270 -99.200 -91.000 PHE 86 1.000 82.934 -0.225 40.656 -99.200 -91.000 TYR 89 0.840 80.892 -2.301 35.647 -99.200 -91.000 PHE 91 1.000 86.916 -1.509 28.603 -99.200 -91.000 PHE 94 1.000 87.615 1.951 23.195 -99.200 -91.000 TYR 104 0.840 80.908 16.232 18.377 -99.200 -91.000 TYR 106 0.840 91.536 15.805 11.923 -99.200 -91.000 PHE 112 1.000 78.515 22.405 14.942 -99.200 -91.000 TRP 123 1.040 92.959 3.504 36.301 -99.200 -91.000 TRP6 123 1.020 94.926 3.439 37.618 -99.200 -91.000 HIS 128 0.900 87.995 -5.931 48.211 -99.200 -91.000 TYR 132 0.840 84.075 -8.588 34.197 -99.200 -91.000 HIS 133 0.900 83.155 -4.080 41.613 -99.200 -91.000 PHE 140 1.000 91.764 -2.038 26.536 -99.200 -91.000 PHE 141 1.000 89.161 4.855 27.075 -99.200 -91.000 HIS 143 0.900 96.309 3.040 18.334 -99.200 -91.000 PHE 156 1.000 98.584 20.139 45.993 -99.200 -91.000 PHE 174 1.000 90.960 13.233 37.832 -99.200 -91.000 PHE 175 1.000 90.573 5.858 33.204 -99.200 -91.000 TYR 181 0.840 87.296 7.136 44.874 -99.200 -91.000 TYR 193 0.840 94.948 22.683 44.184 -99.200 -91.000 TRP 214 1.040 99.975 5.115 34.913 -99.200 -91.000 TRP6 214 1.020 101.814 4.630 33.461 -99.200 -91.000 HIS 219 0.900 101.304 6.973 46.535 -99.200 -91.000 TRP 247 1.040 103.932 9.847 26.115 -99.200 -91.000 TRP6 247 1.020 106.169 9.304 26.709 -99.200 -91.000 HIS 266 0.900 101.457 -0.840 32.449 -99.200 -91.000 PHE 274 1.000 101.274 5.817 27.493 -99.200 -91.000 PHE 287 1.000 120.300 2.447 20.223 -99.200 -91.000 TYR 300 0.840 102.264 -12.173 36.425 -99.200 -91.000 PHE 304 1.000 93.516 -7.015 39.293 -99.200 -91.000 HIS 306 0.900 87.491 -13.122 44.985 -99.200 -91.000 PHE 308 1.000 94.197 -17.855 41.716 -99.200 -91.000 PHE 311 1.000 100.011 -15.658 45.440 -99.200 -91.000 TYR 312 0.840 97.217 -9.195 37.168 -99.200 -91.000 TRP 317 1.040 108.399 -7.748 48.594 -99.200 -91.000 TRP6 317 1.020 110.497 -7.365 49.620 -99.200 -91.000 TYR 320 0.840 115.290 -4.970 45.837 -99.200 -91.000 TYR 329 0.840 121.591 -6.168 29.997 -99.200 -91.000