============================================================================= 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 4 0.900 111.996 89.518 78.438 -99.200 -91.000 PHE 12 1.000 112.213 80.866 88.183 -99.200 -91.000 TYR 27 0.840 98.548 67.810 83.988 -99.200 -91.000 PHE 32 1.000 103.168 64.445 87.009 -99.200 -91.000 PHE 48 1.000 102.568 77.442 88.480 -99.200 -91.000 TYR 52 0.840 108.900 63.556 91.368 -99.200 -91.000 HIS 62 0.900 109.715 76.030 75.558 -99.200 -91.000 TYR 72 0.840 109.966 83.383 78.788 -99.200 -91.000 PHE 80 1.000 115.382 85.009 87.949 -99.200 -91.000 HIS 97 0.900 108.837 51.293 59.587 -99.200 -91.000 PHE 120 1.000 131.009 76.931 66.639 -99.200 -91.000 HIS 123 0.900 133.102 78.604 60.218 -99.200 -91.000 PHE 125 1.000 127.070 74.760 69.301 -99.200 -91.000 PHE 131 1.000 126.788 60.055 77.729 -99.200 -91.000 PHE 154 1.000 114.745 71.128 60.682 -99.200 -91.000 PHE 159 1.000 102.721 73.732 63.372 -99.200 -91.000 TYR 160 0.840 100.645 76.525 59.979 -99.200 -91.000 PHE 167 1.000 107.762 68.893 56.947 -99.200 -91.000 TYR 173 0.840 120.991 63.355 55.300 -99.200 -91.000 TYR 186 0.840 119.687 70.328 73.108 -99.200 -91.000 PHE 192 1.000 124.348 83.433 77.926 -99.200 -91.000 HIS 205 0.900 104.058 59.877 60.729 -99.200 -91.000 HIS 209 0.900 98.752 64.699 55.969 -99.200 -91.000 PHE 221 1.000 102.319 66.898 80.073 -99.200 -91.000