============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 5 0.840 18.733 35.511 4.614 -99.200 -91.000 TYR 14 0.840 30.554 39.866 -0.660 -99.200 -91.000 HIS 23 0.900 31.910 24.922 -0.401 -99.200 -91.000 PHE 24 1.000 38.872 23.583 -0.082 -99.200 -91.000 TRP 34 1.040 46.089 38.965 -5.655 -99.200 -91.000 TRP6 34 1.020 47.645 37.521 -4.583 -99.200 -91.000 HIS 40 0.900 39.683 27.099 9.294 -99.200 -91.000 TYR 42 0.840 48.291 24.988 1.925 -99.200 -91.000 HIS 53 0.900 21.732 31.057 -5.146 -99.200 -91.000 PHE 64 1.000 33.172 25.916 -12.201 -99.200 -91.000 HIS 73 0.900 49.820 36.803 8.972 -99.200 -91.000 PHE 76 1.000 46.677 28.866 10.678 -99.200 -91.000 TRP 121 1.040 27.161 27.381 -1.742 -99.200 -91.000 TRP6 121 1.020 28.625 29.072 -2.482 -99.200 -91.000 TYR 131 0.840 28.296 19.986 4.822 -99.200 -91.000 TYR 152 0.840 34.429 30.880 21.808 -99.200 -91.000 PHE 165 1.000 22.040 36.535 16.025 -99.200 -91.000 TRP 193 1.040 38.761 30.661 16.616 -99.200 -91.000 TRP6 193 1.020 38.265 30.285 18.901 -99.200 -91.000 TYR 195 0.840 32.656 23.041 22.453 -99.200 -91.000 TYR 206 0.840 32.549 34.939 12.201 -99.200 -91.000 TYR 212 0.840 45.197 39.774 10.025 -99.200 -91.000 TRP 215 1.040 50.132 39.189 5.149 -99.200 -91.000 TRP6 215 1.020 48.447 37.701 4.438 -99.200 -91.000