============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 5 1.000 14.566 7.952 28.020 -99.200 -91.000 TYR 8 0.840 18.377 7.706 23.585 -99.200 -91.000 HIS 40 0.900 11.053 38.030 29.731 -99.200 -91.000 HIS 43 0.900 7.816 27.866 26.339 -99.200 -91.000 TYR 65 0.840 7.482 30.079 37.129 -99.200 -91.000 HIS 83 0.900 1.244 21.281 29.916 -99.200 -91.000 HIS 91 0.900 9.306 25.004 30.648 -99.200 -91.000 TYR 110 0.840 24.062 21.147 29.391 -99.200 -91.000 PHE 113 1.000 19.923 19.093 31.545 -99.200 -91.000 PHE 129 1.000 18.875 31.428 23.961 -99.200 -91.000 TYR 149 0.840 18.591 7.552 28.521 -99.200 -91.000 TYR 158 0.840 23.451 10.006 15.790 -99.200 -91.000 TYR 164 0.840 31.236 5.136 20.928 -99.200 -91.000