============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. TYR 21 0.840 13.198 27.004 -5.112 -99.200 -91.000 TYR 22 0.840 18.375 30.794 -11.730 -99.200 -91.000 TRP 26 1.040 9.419 24.664 -6.909 -99.200 -91.000 TRP6 26 1.020 11.019 22.981 -7.334 -99.200 -91.000 TRP 34 1.040 13.619 17.455 -21.762 -99.200 -91.000 TRP6 34 1.020 14.946 18.083 -19.898 -99.200 -91.000 PHE 42 1.000 13.541 16.808 -13.836 -99.200 -91.000 TYR 48 0.840 11.909 8.300 -10.092 -99.200 -91.000 TYR 57 0.840 3.448 16.579 -19.133 -99.200 -91.000 TRP 65 1.040 13.429 29.413 -12.961 -99.200 -91.000 TRP6 65 1.020 13.630 31.771 -13.036 -99.200 -91.000 TRP 79 1.040 22.046 24.417 -10.518 -99.200 -91.000 TRP6 79 1.020 19.905 23.375 -10.425 -99.200 -91.000 TRP 86 1.040 20.995 28.583 -14.416 -99.200 -91.000 TRP6 86 1.020 19.459 26.920 -13.709 -99.200 -91.000 HIS 89 0.900 11.894 31.886 -22.083 -99.200 -91.000 HIS 93 0.900 5.281 28.544 -18.654 -99.200 -91.000