============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TYR 6 0.840 -3.757 22.989 26.764 -99.200 -91.000 HIS 24 0.900 12.595 15.626 29.222 -99.200 -91.000 TRP 32 1.040 16.444 9.342 28.578 -99.200 -91.000 TRP6 32 1.020 16.494 11.692 28.837 -99.200 -91.000 PHE 36 1.000 8.915 14.673 25.301 -99.200 -91.000 TRP 44 1.040 17.354 16.223 18.325 -99.200 -91.000 TRP6 44 1.020 15.223 16.948 19.048 -99.200 -91.000 TYR 50 0.840 18.462 12.289 33.664 -99.200 -91.000 TRP 53 1.040 22.774 17.397 36.305 -99.200 -91.000 TRP6 53 1.020 20.551 18.055 35.857 -99.200 -91.000 TYR 54 0.840 22.511 8.808 38.904 -99.200 -91.000 PHE 60 1.000 20.515 13.810 38.554 -99.200 -91.000 PHE 67 1.000 17.688 25.663 30.782 -99.200 -91.000 TYR 75 0.840 19.361 26.376 23.144 -99.200 -91.000 HIS 82 0.900 12.327 11.207 46.200 -99.200 -91.000 TYR 85 0.840 8.680 1.672 39.710 -99.200 -91.000 TYR 96 0.840 1.496 18.721 41.572 -99.200 -91.000 PHE 109 1.000 18.215 28.310 27.923 -99.200 -91.000 HIS 113 0.900 19.511 31.470 25.637 -99.200 -91.000 HIS 118 0.900 7.451 25.012 21.022 -99.200 -91.000 TRP 130 1.040 -3.162 20.120 31.881 -99.200 -91.000 TRP6 130 1.020 -0.842 20.209 31.429 -99.200 -91.000 TYR 150 0.840 4.009 20.565 20.584 -99.200 -91.000