============================================================================= 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 4 1.000 37.681 2.794 16.975 -99.200 -91.000 TYR 18 0.840 43.541 20.028 15.291 -99.200 -91.000 TYR 24 0.840 33.966 25.470 11.613 -99.200 -91.000 TYR 25 0.840 39.295 28.150 18.021 -99.200 -91.000 HIS 31 0.900 35.400 15.999 20.431 -99.200 -91.000 PHE 67 1.000 39.595 8.029 16.497 -99.200 -91.000 TYR 88 0.840 26.698 1.069 9.037 -99.200 -91.000 PHE 104 1.000 35.466 11.416 13.620 -99.200 -91.000 PHE 114 1.000 28.069 14.107 -0.138 -99.200 -91.000 TYR 120 0.840 24.153 7.175 -9.143 -99.200 -91.000 TRP 126 1.040 30.300 -1.370 -5.863 -99.200 -91.000 TRP6 126 1.020 29.128 -0.714 -3.946 -99.200 -91.000 PHE 133 1.000 29.641 9.119 -1.969 -99.200 -91.000 TRP 138 1.040 33.881 15.050 1.709 -99.200 -91.000 TRP6 138 1.020 33.791 13.062 0.409 -99.200 -91.000 TYR 139 0.840 36.953 15.303 -5.497 -99.200 -91.000 PHE 153 1.000 31.610 5.715 0.549 -99.200 -91.000 TRP 158 1.040 40.350 -1.939 4.846 -99.200 -91.000 TRP6 158 1.020 39.278 -0.094 5.866 -99.200 -91.000 TYR 161 0.840 42.148 5.399 4.208 -99.200 -91.000