============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 2 1.000 -1.198 -28.648 40.670 -99.200 -91.000 HIS 3 0.900 -3.954 -18.448 41.691 -99.200 -91.000 TYR 23 0.840 -32.625 -20.574 57.844 -99.200 -91.000 TYR 25 0.840 -24.853 -19.945 65.944 -99.200 -91.000 HIS 48 0.900 -13.364 -15.427 48.952 -99.200 -91.000 HIS 55 0.900 -18.860 -4.646 38.016 -99.200 -91.000 HIS 62 0.900 -13.417 -11.269 31.227 -99.200 -91.000 PHE 70 1.000 -10.851 -27.440 38.766 -99.200 -91.000 PHE 78 1.000 -24.877 -12.598 40.077 -99.200 -91.000 HIS 80 0.900 -30.681 -20.754 40.154 -99.200 -91.000 PHE 96 1.000 -17.686 -23.896 35.823 -99.200 -91.000 HIS 100 0.900 -25.474 -23.680 43.715 -99.200 -91.000 HIS 105 0.900 -31.516 -30.194 41.181 -99.200 -91.000 PHE 110 1.000 -36.672 -19.151 41.508 -99.200 -91.000 HIS 112 0.900 -35.316 -28.616 40.274 -99.200 -91.000 HIS 113 0.900 -31.895 -22.229 33.050 -99.200 -91.000 TYR 115 0.840 -28.837 -19.242 31.417 -99.200 -91.000 TYR 132 0.840 -17.661 -22.982 49.519 -99.200 -91.000 PHE 134 1.000 -16.645 -33.428 51.148 -99.200 -91.000