============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 4 1.000 21.276 4.715 10.434 -99.200 -91.000 TYR 7 0.840 24.092 4.219 22.461 -99.200 -91.000 TYR 14 0.840 18.163 12.051 24.484 -99.200 -91.000 PHE 15 1.000 21.314 10.311 19.985 -99.200 -91.000 PHE 19 1.000 13.743 7.787 15.467 -99.200 -91.000 PHE 23 1.000 17.749 12.013 16.853 -99.200 -91.000 TRP 25 1.040 22.199 16.513 14.900 -99.200 -91.000 TRP6 25 1.020 23.720 18.037 13.919 -99.200 -91.000 TYR 31 0.840 36.837 23.159 11.770 -99.200 -91.000 PHE 36 1.000 34.071 30.560 15.937 -99.200 -91.000 HIS 40 0.900 17.667 22.949 14.412 -99.200 -91.000 TYR 52 0.840 19.303 11.780 9.150 -99.200 -91.000 PHE 61 1.000 35.442 27.070 8.382 -99.200 -91.000 TRP 75 1.040 36.535 14.852 9.340 -99.200 -91.000 TRP6 75 1.020 37.156 16.718 10.676 -99.200 -91.000 TYR 83 0.840 28.470 16.336 29.631 -99.200 -91.000 HIS 104 0.900 47.210 14.825 12.789 -99.200 -91.000 HIS 108 0.900 35.803 21.950 22.706 -99.200 -91.000 HIS 110 0.900 32.303 23.786 21.920 -99.200 -91.000 TYR 113 0.840 23.906 14.730 20.480 -99.200 -91.000 PHE 127 1.000 31.460 11.584 30.958 -99.200 -91.000 HIS 128 0.900 26.970 7.569 26.502 -99.200 -91.000 PHE 129 1.000 34.691 8.018 27.568 -99.200 -91.000 HIS 132 0.900 30.276 9.814 16.991 -99.200 -91.000 TYR 146 0.840 32.987 15.113 -1.886 -99.200 -91.000 TYR 149 0.840 31.666 2.675 7.258 -99.200 -91.000 TYR 156 0.840 29.309 2.670 30.727 -99.200 -91.000 HIS 166 0.900 33.746 5.400 40.698 -99.200 -91.000