============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 12 0.840 21.732 16.738 18.618 -99.200 -91.000 TYR 22 0.840 16.122 21.645 8.178 -99.200 -91.000 HIS 24 0.900 19.990 24.453 12.489 -99.200 -91.000 TRP 40 1.040 26.131 22.990 6.398 -99.200 -91.000 TRP6 40 1.020 27.195 22.734 8.457 -99.200 -91.000 HIS 51 0.900 33.709 31.928 1.164 -99.200 -91.000 TYR 54 0.840 26.659 44.710 8.176 -99.200 -91.000 TYR 67 0.840 31.182 20.233 3.956 -99.200 -91.000 TYR 77 0.840 17.491 39.169 10.637 -99.200 -91.000 TRP 88 1.040 36.468 51.214 18.898 -99.200 -91.000 TRP6 88 1.020 38.342 50.689 17.592 -99.200 -91.000 TYR 100 0.840 24.200 11.825 20.689 -99.200 -91.000 TRP 109 1.040 38.768 33.592 11.504 -99.200 -91.000 TRP6 109 1.020 39.227 34.256 13.709 -99.200 -91.000 PHE 111 1.000 37.110 40.721 10.657 -99.200 -91.000 HIS 121 0.900 42.353 58.547 -0.436 -99.200 -91.000 HIS 127 0.900 43.573 40.123 5.201 -99.200 -91.000 PHE 128 1.000 41.885 38.031 11.888 -99.200 -91.000 PHE 130 1.000 45.409 34.401 12.787 -99.200 -91.000 PHE 133 1.000 44.529 28.867 13.229 -99.200 -91.000 PHE 175 1.000 43.666 39.913 15.062 -99.200 -91.000 TYR 176 0.840 46.056 40.703 22.726 -99.200 -91.000 HIS 180 0.900 35.883 52.638 15.023 -99.200 -91.000 TRP 182 1.040 28.534 50.539 15.353 -99.200 -91.000 TRP6 182 1.020 28.098 52.632 16.348 -99.200 -91.000 PHE 191 1.000 31.224 41.868 9.473 -99.200 -91.000 PHE 195 1.000 34.276 29.328 9.966 -99.200 -91.000 PHE 197 1.000 33.285 23.994 8.088 -99.200 -91.000 HIS 205 0.900 21.448 11.060 14.400 -99.200 -91.000 PHE 212 1.000 33.020 36.090 12.084 -99.200 -91.000 PHE 213 1.000 32.752 34.874 19.411 -99.200 -91.000 PHE 233 1.000 23.635 33.780 21.759 -99.200 -91.000