============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 6 0.840 31.750 25.209 -1.827 -99.200 -91.000 TYR 13 0.840 40.793 37.909 3.717 -99.200 -91.000 TRP 21 1.040 38.064 34.882 10.761 -99.200 -91.000 TRP6 21 1.020 37.986 34.025 8.573 -99.200 -91.000 PHE 29 1.000 39.977 18.523 6.601 -99.200 -91.000 HIS 39 0.900 30.509 17.678 -1.086 -99.200 -91.000 TYR 51 0.840 25.972 34.143 20.487 -99.200 -91.000 PHE 57 1.000 30.027 37.252 7.133 -99.200 -91.000 PHE 60 1.000 25.152 37.474 2.830 -99.200 -91.000 PHE 65 1.000 25.584 25.183 25.003 -99.200 -91.000 HIS 73 0.900 27.744 29.797 22.915 -99.200 -91.000 PHE 74 1.000 25.054 24.739 13.999 -99.200 -91.000 TRP 97 1.040 29.825 18.658 28.279 -99.200 -91.000 TRP6 97 1.020 29.197 18.153 26.061 -99.200 -91.000 TYR 105 0.840 46.114 22.820 18.797 -99.200 -91.000 PHE 107 1.000 47.335 33.419 10.119 -99.200 -91.000 HIS 111 0.900 42.457 32.653 -6.209 -99.200 -91.000 TYR 121 0.840 42.403 20.723 17.426 -99.200 -91.000 TYR 123 0.840 44.979 11.195 12.422 -99.200 -91.000 TYR 126 0.840 37.477 15.426 10.850 -99.200 -91.000 TRP 138 1.040 47.474 15.390 0.996 -99.200 -91.000 TRP6 138 1.020 48.370 17.175 2.242 -99.200 -91.000