============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. HIS 13 0.900 52.358 9.012 28.935 -99.200 -91.000 TRP 21 1.040 63.455 7.962 32.198 -99.200 -91.000 TRP6 21 1.020 63.939 6.725 34.148 -99.200 -91.000 HIS 25 0.900 68.788 4.256 33.769 -99.200 -91.000 TRP 45 1.040 70.873 15.740 24.762 -99.200 -91.000 TRP6 45 1.020 70.150 15.967 26.945 -99.200 -91.000 HIS 50 0.900 59.556 15.446 21.594 -99.200 -91.000 TYR 51 0.840 59.077 11.278 23.240 -99.200 -91.000 TYR 52 0.840 61.062 10.029 28.817 -99.200 -91.000 TRP 56 1.040 67.040 13.072 39.180 -99.200 -91.000 TRP6 56 1.020 68.557 11.467 40.012 -99.200 -91.000 TYR 68 0.840 85.091 9.879 34.323 -99.200 -91.000 TYR 73 0.840 82.975 7.339 22.525 -99.200 -91.000 TYR 77 0.840 80.718 6.826 17.952 -99.200 -91.000 TYR 97 0.840 69.156 26.726 40.456 -99.200 -91.000