============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TYR 17 0.840 25.357 -24.532 2.420 -99.200 -91.000 PHE 18 1.000 19.176 -29.410 6.312 -99.200 -91.000 TRP 22 1.040 30.506 -16.355 11.502 -99.200 -91.000 TRP6 22 1.020 29.826 -14.090 11.302 -99.200 -91.000 HIS 23 0.900 27.166 -21.195 6.076 -99.200 -91.000 TYR 26 0.840 27.880 -14.110 -4.312 -99.200 -91.000 TRP 46 1.040 15.444 -17.173 12.452 -99.200 -91.000 TRP6 46 1.020 13.785 -15.479 12.378 -99.200 -91.000 PHE 49 1.000 19.864 -6.929 12.870 -99.200 -91.000 PHE 59 1.000 28.382 -4.066 20.072 -99.200 -91.000 TYR 60 0.840 29.988 6.379 23.594 -99.200 -91.000 TRP 63 1.040 26.478 7.971 10.215 -99.200 -91.000 TRP6 63 1.020 24.244 7.862 10.992 -99.200 -91.000 TYR 66 0.840 26.951 1.272 16.292 -99.200 -91.000 PHE 70 1.000 30.685 -1.965 16.198 -99.200 -91.000 PHE 77 1.000 27.923 -10.613 14.398 -99.200 -91.000 TRP 78 1.040 25.599 -2.515 13.764 -99.200 -91.000 TRP6 78 1.020 23.491 -2.888 14.768 -99.200 -91.000 HIS 85 0.900 18.778 0.184 2.421 -99.200 -91.000 PHE 102 1.000 25.088 -11.848 33.160 -99.200 -91.000 HIS 106 0.900 18.635 -20.227 26.073 -99.200 -91.000 PHE 108 1.000 10.123 -16.305 21.763 -99.200 -91.000 TYR 111 0.840 9.338 -6.457 17.708 -99.200 -91.000 PHE 114 1.000 15.002 -4.888 11.360 -99.200 -91.000 TYR 123 0.840 22.681 3.731 7.641 -99.200 -91.000 PHE 130 1.000 5.849 -8.361 21.337 -99.200 -91.000 HIS 142 0.900 9.964 4.848 21.114 -99.200 -91.000 PHE 146 1.000 15.187 10.493 10.667 -99.200 -91.000 PHE 147 1.000 22.120 3.140 14.511 -99.200 -91.000 PHE 165 1.000 19.730 5.438 28.355 -99.200 -91.000 TRP 169 1.040 17.798 0.958 20.138 -99.200 -91.000 TRP6 169 1.020 18.479 -1.243 19.592 -99.200 -91.000 TRP 170 1.040 17.182 2.164 14.058 -99.200 -91.000 TRP6 170 1.020 17.919 -0.034 14.545 -99.200 -91.000 TYR 171 0.840 19.689 5.647 21.913 -99.200 -91.000 HIS 175 0.900 10.962 7.836 28.276 -99.200 -91.000 TYR 183 0.840 28.048 -7.894 28.367 -99.200 -91.000 HIS 188 0.900 30.548 -15.116 38.627 -99.200 -91.000 TYR 191 0.840 22.777 -3.815 40.298 -99.200 -91.000 TRP 197 1.040 13.952 -6.956 25.211 -99.200 -91.000 TRP6 197 1.020 14.070 -6.263 22.951 -99.200 -91.000 TYR 199 0.840 17.381 -10.319 28.979 -99.200 -91.000