============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. HIS 1 0.900 34.419 12.020 8.712 -99.200 -91.000 PHE 2 1.000 35.566 15.709 10.734 -99.200 -91.000 TYR 9 0.840 44.604 21.978 16.952 -99.200 -91.000 TYR 16 0.840 37.165 24.479 34.571 -99.200 -91.000 HIS 22 0.900 39.030 18.116 40.080 -99.200 -91.000 PHE 23 1.000 42.643 24.547 35.683 -99.200 -91.000 HIS 42 0.900 54.348 18.172 36.631 -99.200 -91.000 TYR 56 0.840 49.923 13.478 17.059 -99.200 -91.000 TYR 65 0.840 53.797 13.141 22.130 -99.200 -91.000 TYR 75 0.840 49.771 5.328 28.637 -99.200 -91.000 PHE 86 1.000 43.689 10.895 23.509 -99.200 -91.000 HIS 94 0.900 30.843 26.783 25.566 -99.200 -91.000 TYR 95 0.840 30.687 22.456 28.251 -99.200 -91.000 TYR 98 0.840 40.431 17.028 23.558 -99.200 -91.000 HIS 103 0.900 41.458 1.139 22.568 -99.200 -91.000 TRP 108 1.040 36.516 2.670 25.910 -99.200 -91.000 TRP6 108 1.020 38.325 1.153 25.892 -99.200 -91.000 PHE 109 1.000 32.911 10.189 24.455 -99.200 -91.000 HIS 125 0.900 27.464 7.413 29.921 -99.200 -91.000 TYR 126 0.840 29.151 10.907 22.002 -99.200 -91.000 PHE 133 1.000 38.366 16.976 29.792 -99.200 -91.000