============================================================================= 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 9 0.840 35.168 -2.291 55.535 -99.200 -91.000 TYR 13 0.840 38.976 -5.842 47.034 -99.200 -91.000 PHE 15 1.000 30.502 -1.096 46.956 -99.200 -91.000 PHE 19 1.000 23.177 6.616 43.903 -99.200 -91.000 HIS 21 0.900 24.716 14.646 38.256 -99.200 -91.000 TYR 32 0.840 22.443 10.265 45.141 -99.200 -91.000 PHE 40 1.000 14.032 12.540 47.184 -99.200 -91.000 TRP 52 1.040 31.265 4.816 40.213 -99.200 -91.000 TRP6 52 1.020 32.523 6.232 38.839 -99.200 -91.000 TYR 69 0.840 10.485 -0.010 57.659 -99.200 -91.000 HIS 74 0.900 8.638 2.786 62.740 -99.200 -91.000 HIS 84 0.900 -3.124 -3.049 45.514 -99.200 -91.000 HIS 85 0.900 1.726 -1.640 45.204 -99.200 -91.000 HIS 96 0.900 12.751 -11.157 48.446 -99.200 -91.000 TYR 108 0.840 14.852 -11.527 43.500 -99.200 -91.000 PHE 115 1.000 12.250 -15.078 60.877 -99.200 -91.000 HIS 117 0.900 11.519 -10.309 52.296 -99.200 -91.000 TYR 123 0.840 32.565 -5.819 40.672 -99.200 -91.000 HIS 136 0.900 19.827 -0.664 34.516 -99.200 -91.000 TYR 137 0.840 20.049 -2.756 43.098 -99.200 -91.000 TYR 139 0.840 14.301 0.820 45.647 -99.200 -91.000 PHE 173 1.000 20.695 3.609 47.267 -99.200 -91.000