============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. HIS 5 0.900 36.147 5.724 40.868 -99.200 -91.000 PHE 6 1.000 43.457 3.073 41.004 -99.200 -91.000 PHE 20 1.000 44.258 5.687 36.876 -99.200 -91.000 PHE 23 1.000 45.710 6.704 25.810 -99.200 -91.000 PHE 34 1.000 44.586 0.419 35.949 -99.200 -91.000 TYR 54 0.840 44.590 -2.251 40.188 -99.200 -91.000 PHE 59 1.000 48.992 4.782 44.068 -99.200 -91.000 HIS 60 0.900 54.263 -1.310 45.709 -99.200 -91.000 PHE 66 1.000 61.268 6.982 37.678 -99.200 -91.000 PHE 73 1.000 45.778 -8.803 43.402 -99.200 -91.000 TYR 85 0.840 44.557 -11.336 30.591 -99.200 -91.000 TYR 88 0.840 54.521 -12.239 37.125 -99.200 -91.000 PHE 89 1.000 49.018 -8.627 31.074 -99.200 -91.000 PHE 94 1.000 57.777 -3.018 25.383 -99.200 -91.000 HIS 98 0.900 57.309 4.734 29.764 -99.200 -91.000 PHE 102 1.000 50.418 14.576 36.178 -99.200 -91.000 HIS 112 0.900 57.380 -11.043 26.739 -99.200 -91.000 PHE 118 1.000 48.507 1.182 39.764 -99.200 -91.000 PHE 119 1.000 55.866 2.767 35.546 -99.200 -91.000 HIS 127 0.900 64.592 6.412 32.564 -99.200 -91.000 HIS 132 0.900 58.762 -0.610 33.402 -99.200 -91.000 PHE 135 1.000 47.923 0.190 31.559 -99.200 -91.000 PHE 142 1.000 45.767 16.093 35.737 -99.200 -91.000 TYR 160 0.840 59.153 6.265 56.842 -99.200 -91.000