============================================================================= 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. PHE 10 1.000 26.331 44.897 5.526 -99.200 -91.000 TYR 25 0.840 33.688 44.506 -0.468 -99.200 -91.000 HIS 29 0.900 35.760 40.801 -6.602 -99.200 -91.000 TYR 34 0.840 31.990 33.796 8.981 -99.200 -91.000 PHE 35 1.000 24.861 38.436 9.526 -99.200 -91.000 TYR 36 0.840 32.076 35.881 13.980 -99.200 -91.000 PHE 51 1.000 33.450 30.644 5.966 -99.200 -91.000 TRP 55 1.040 42.348 33.180 1.574 -99.200 -91.000 TRP6 55 1.020 40.269 34.147 2.148 -99.200 -91.000 TYR 61 0.840 34.783 27.597 -6.424 -99.200 -91.000 HIS 76 0.900 34.937 41.635 14.823 -99.200 -91.000 PHE 79 1.000 37.853 34.813 15.856 -99.200 -91.000 TYR 83 0.840 42.043 31.135 16.899 -99.200 -91.000 PHE 87 1.000 37.749 34.837 7.591 -99.200 -91.000 TYR 101 0.840 22.077 40.574 5.096 -99.200 -91.000 PHE 106 1.000 13.988 33.214 17.162 -99.200 -91.000 PHE 114 1.000 21.869 35.616 5.243 -99.200 -91.000 HIS 124 0.900 22.939 27.291 0.274 -99.200 -91.000 TYR 126 0.840 24.624 24.985 6.859 -99.200 -91.000 HIS 135 0.900 27.375 28.036 9.108 -99.200 -91.000