============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 5 1.000 4.661 46.117 21.855 -99.200 -91.000 HIS 7 0.900 -1.131 41.127 13.686 -99.200 -91.000 PHE 9 1.000 -4.843 38.671 13.687 -99.200 -91.000 PHE 14 1.000 0.931 41.602 23.144 -99.200 -91.000 PHE 23 1.000 8.666 55.758 19.830 -99.200 -91.000 PHE 35 1.000 18.932 70.133 15.028 -99.200 -91.000 PHE 49 1.000 21.893 81.859 9.488 -99.200 -91.000 PHE 64 1.000 9.871 70.302 3.239 -99.200 -91.000 HIS 73 0.900 16.836 57.110 -4.614 -99.200 -91.000 HIS 102 0.900 22.026 69.343 8.542 -99.200 -91.000 PHE 103 1.000 27.239 77.527 9.177 -99.200 -91.000 HIS 132 0.900 -6.276 56.678 35.852 -99.200 -91.000 HIS 146 0.900 -7.696 47.197 57.274 -99.200 -91.000 TYR 152 0.840 -0.277 30.501 48.441 -99.200 -91.000 TRP 170 1.040 0.714 43.479 43.488 -99.200 -91.000 TRP6 170 1.020 -1.599 43.229 43.901 -99.200 -91.000 HIS 177 0.900 9.651 51.256 39.298 -99.200 -91.000 PHE 184 1.000 16.195 60.041 31.716 -99.200 -91.000 PHE 189 1.000 13.122 62.731 28.356 -99.200 -91.000 PHE 193 1.000 24.254 72.722 17.050 -99.200 -91.000 TRP 226 1.040 23.546 63.803 23.854 -99.200 -91.000 TRP6 226 1.020 22.005 62.177 23.126 -99.200 -91.000 HIS 227 0.900 27.558 63.989 17.604 -99.200 -91.000 PHE 236 1.000 13.012 57.104 28.503 -99.200 -91.000 PHE 250 1.000 -1.513 44.381 39.112 -99.200 -91.000 PHE 282 1.000 9.633 43.377 23.597 -99.200 -91.000 HIS 291 0.900 22.750 48.661 30.362 -99.200 -91.000 TRP 305 1.040 22.571 56.842 16.236 -99.200 -91.000 TRP6 305 1.020 22.863 58.032 14.212 -99.200 -91.000 TRP 309 1.040 18.746 54.657 14.828 -99.200 -91.000 TRP6 309 1.020 19.438 54.759 12.577 -99.200 -91.000