============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 23 0.900 33.661 69.400 -8.108 -99.200 -91.000 HIS 26 0.900 28.824 68.069 -1.777 -99.200 -91.000 TYR 28 0.840 31.375 76.976 -7.325 -99.200 -91.000 HIS 32 0.900 29.722 80.567 2.991 -99.200 -91.000 TYR 33 0.840 30.886 75.558 4.898 -99.200 -91.000 TYR 40 0.840 39.328 88.613 3.365 -99.200 -91.000 HIS 57 0.900 22.367 76.115 -12.287 -99.200 -91.000 PHE 61 1.000 21.274 70.097 -15.149 -99.200 -91.000 TYR 90 0.840 37.134 84.505 -5.499 -99.200 -91.000 TYR 104 0.840 26.196 72.013 -17.315 -99.200 -91.000 PHE 107 1.000 27.070 67.005 -20.532 -99.200 -91.000 PHE 123 1.000 21.873 69.908 -20.333 -99.200 -91.000 HIS 133 0.900 26.560 80.644 -11.200 -99.200 -91.000 TYR 136 0.840 31.372 86.969 -7.709 -99.200 -91.000 TYR 137 0.840 32.957 81.852 -9.062 -99.200 -91.000 HIS 143 0.900 37.638 93.969 -9.290 -99.200 -91.000 TYR 151 0.840 38.329 93.181 -4.269 -99.200 -91.000 PHE 169 1.000 8.718 69.174 9.555 -99.200 -91.000