============================================================================= 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 60.177 -1.414 18.206 -99.200 -91.000 TYR 14 0.840 55.475 11.106 21.162 -99.200 -91.000 TYR 22 0.840 50.597 2.578 41.712 -99.200 -91.000 HIS 23 0.900 53.597 3.517 33.905 -99.200 -91.000 PHE 24 1.000 48.211 6.513 37.566 -99.200 -91.000 TRP 34 1.040 47.595 22.987 29.423 -99.200 -91.000 TRP6 34 1.020 45.655 22.455 30.607 -99.200 -91.000 HIS 40 0.900 41.280 3.579 31.171 -99.200 -91.000 TYR 42 0.840 40.524 12.285 38.664 -99.200 -91.000 PHE 64 1.000 61.010 11.751 38.809 -99.200 -91.000 HIS 73 0.900 34.422 15.087 26.663 -99.200 -91.000 TYR 76 0.840 35.459 8.158 31.693 -99.200 -91.000 TRP 121 1.040 58.041 2.762 30.772 -99.200 -91.000 TRP6 121 1.020 57.482 4.985 30.263 -99.200 -91.000 TYR 131 0.840 52.506 -4.821 34.757 -99.200 -91.000 TYR 152 0.840 36.809 -5.206 20.736 -99.200 -91.000 PHE 161 1.000 42.467 5.096 16.437 -99.200 -91.000 TYR 165 0.840 50.054 -5.996 13.964 -99.200 -91.000 TRP 193 1.040 37.535 0.207 24.922 -99.200 -91.000 TRP6 193 1.020 36.423 -1.684 24.112 -99.200 -91.000 TYR 206 0.840 44.794 1.784 20.367 -99.200 -91.000 TYR 212 0.840 37.156 13.266 22.114 -99.200 -91.000 TRP 215 1.040 36.616 19.327 25.738 -99.200 -91.000 TRP6 215 1.020 38.170 17.963 26.850 -99.200 -91.000