============================================================================= 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 0.900 138.412 55.866 46.064 -99.200 -91.000 PHE 12 1.000 137.606 46.127 54.895 -99.200 -91.000 TYR 27 0.840 151.433 49.923 68.227 -99.200 -91.000 PHE 32 1.000 146.037 47.609 71.503 -99.200 -91.000 PHE 48 1.000 146.978 45.796 58.618 -99.200 -91.000 TYR 52 0.840 140.170 43.192 72.344 -99.200 -91.000 HIS 62 0.900 140.028 58.633 59.354 -99.200 -91.000 TYR 72 0.840 140.082 55.450 52.051 -99.200 -91.000 PHE 80 1.000 134.583 46.307 50.687 -99.200 -91.000 HIS 97 0.900 141.059 73.566 84.438 -99.200 -91.000 PHE 120 1.000 119.314 68.501 57.709 -99.200 -91.000 HIS 123 0.900 117.481 74.985 55.963 -99.200 -91.000 PHE 125 1.000 123.037 65.694 60.009 -99.200 -91.000 PHE 131 1.000 122.457 57.232 74.878 -99.200 -91.000 PHE 154 1.000 135.477 73.790 64.098 -99.200 -91.000 PHE 159 1.000 147.515 70.678 62.071 -99.200 -91.000 TYR 160 0.840 149.817 73.907 59.433 -99.200 -91.000 PHE 167 1.000 142.562 77.400 66.621 -99.200 -91.000 TYR 173 0.840 129.278 79.313 71.785 -99.200 -91.000 TYR 186 0.840 130.108 61.629 64.700 -99.200 -91.000 PHE 192 1.000 125.796 56.849 51.471 -99.200 -91.000 HIS 205 0.900 145.985 73.314 75.622 -99.200 -91.000 HIS 209 0.900 151.725 78.133 71.706 -99.200 -91.000 PHE 221 1.000 148.500 60.055 70.708 -99.200 -91.000