============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 21 0.900 -5.122 -21.373 -5.526 -99.200 -91.000 PHE 23 1.000 0.306 -23.209 -8.012 -99.200 -91.000 TRP 31 1.040 4.875 -24.008 -12.393 -99.200 -91.000 TRP6 31 1.020 6.356 -22.449 -11.429 -99.200 -91.000 PHE 34 1.000 6.073 -21.462 -0.368 -99.200 -91.000 HIS 46 0.900 -0.565 -8.050 5.246 -99.200 -91.000 PHE 54 1.000 9.394 -16.297 -0.189 -99.200 -91.000 TYR 59 0.840 9.131 -19.399 -3.852 -99.200 -91.000 TYR 68 0.840 -12.113 -8.666 -8.193 -99.200 -91.000 TRP 69 1.040 -12.013 -8.784 -13.460 -99.200 -91.000 TRP6 69 1.020 -12.634 -6.608 -12.836 -99.200 -91.000 PHE 77 1.000 -8.318 -11.395 -23.752 -99.200 -91.000 HIS 78 0.900 -5.886 -10.584 -19.408 -99.200 -91.000 HIS 80 0.900 -4.066 -18.277 -14.673 -99.200 -91.000 PHE 85 1.000 8.370 -13.837 -6.990 -99.200 -91.000 TYR 95 0.840 11.202 -11.484 -2.842 -99.200 -91.000 TYR 104 0.840 -12.175 -7.543 -22.633 -99.200 -91.000 TYR 106 0.840 -2.462 -9.456 -15.960 -99.200 -91.000