============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 23 0.840 28.320 38.727 14.233 -99.200 -91.000 HIS 40 0.900 26.762 35.813 26.149 -99.200 -91.000 TRP 44 1.040 16.765 32.809 28.475 -99.200 -91.000 TRP6 44 1.020 16.532 30.417 28.611 -99.200 -91.000 PHE 51 1.000 17.114 27.843 36.032 -99.200 -91.000 HIS 57 0.900 23.815 20.413 44.142 -99.200 -91.000 HIS 61 0.900 17.976 16.628 36.294 -99.200 -91.000 TRP 67 1.040 23.693 20.918 27.028 -99.200 -91.000 TRP6 67 1.020 24.930 21.090 25.016 -99.200 -91.000 TRP 77 1.040 13.660 33.667 16.711 -99.200 -91.000 TRP6 77 1.020 11.369 34.081 16.312 -99.200 -91.000 HIS 82 0.900 18.606 34.178 6.597 -99.200 -91.000 PHE 88 1.000 24.550 25.607 12.590 -99.200 -91.000 PHE 109 1.000 22.678 21.898 7.891 -99.200 -91.000 PHE 119 1.000 9.695 27.024 15.743 -99.200 -91.000 PHE 129 1.000 12.967 31.867 20.341 -99.200 -91.000 TYR 143 0.840 7.552 15.184 33.404 -99.200 -91.000 PHE 145 1.000 14.207 18.631 39.307 -99.200 -91.000 HIS 156 0.900 9.154 27.786 41.735 -99.200 -91.000 HIS 158 0.900 5.072 19.770 36.827 -99.200 -91.000 HIS 170 0.900 -2.561 38.609 27.609 -99.200 -91.000 HIS 183 0.900 -8.914 26.129 23.903 -99.200 -91.000 HIS 195 0.900 11.493 17.411 14.543 -99.200 -91.000 HIS 198 0.900 13.884 11.988 17.076 -99.200 -91.000 HIS 206 0.900 26.912 14.544 14.527 -99.200 -91.000 TYR 208 0.840 29.598 8.932 24.220 -99.200 -91.000 TYR 213 0.840 25.779 18.359 38.731 -99.200 -91.000