============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TRP 6 1.040 21.989 20.357 -4.431 -99.200 -91.000 TRP6 6 1.020 20.274 21.939 -4.776 -99.200 -91.000 HIS 12 0.900 30.210 36.519 -15.468 -99.200 -91.000 HIS 23 0.900 18.058 17.757 -6.436 -99.200 -91.000 TYR 28 0.840 14.502 23.957 -5.778 -99.200 -91.000 TYR 44 0.840 26.076 34.175 3.421 -99.200 -91.000 PHE 45 1.000 24.007 29.658 -3.819 -99.200 -91.000 TRP 53 1.040 17.100 22.596 -1.053 -99.200 -91.000 TRP6 53 1.020 15.007 21.518 -1.114 -99.200 -91.000 HIS 59 0.900 30.298 18.843 -12.618 -99.200 -91.000 PHE 66 1.000 32.905 24.302 -6.375 -99.200 -91.000 TRP 76 1.040 36.499 20.568 8.007 -99.200 -91.000 TRP6 76 1.020 36.081 22.151 9.714 -99.200 -91.000 TRP 77 1.040 30.867 24.046 10.411 -99.200 -91.000 TRP6 77 1.020 28.526 24.115 10.121 -99.200 -91.000 PHE 84 1.000 36.892 14.530 -7.350 -99.200 -91.000 HIS 108 0.900 16.723 47.936 -8.118 -99.200 -91.000 PHE 118 1.000 6.470 32.371 -8.090 -99.200 -91.000 HIS 120 0.900 13.739 25.981 -13.975 -99.200 -91.000 TYR 128 0.840 3.682 15.067 -10.610 -99.200 -91.000