============================================================================= 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 -30.348 94.187 -65.806 -99.200 -91.000 HIS 26 0.900 -31.767 100.345 -70.769 -99.200 -91.000 TYR 28 0.840 -22.889 94.767 -68.364 -99.200 -91.000 HIS 32 0.900 -19.081 104.767 -70.417 -99.200 -91.000 TYR 33 0.840 -24.176 106.979 -69.011 -99.200 -91.000 TYR 40 0.840 -10.694 105.441 -60.994 -99.200 -91.000 HIS 57 0.900 -24.168 89.594 -77.216 -99.200 -91.000 PHE 61 1.000 -30.259 86.740 -78.102 -99.200 -91.000 TYR 90 0.840 -15.126 96.510 -62.895 -99.200 -91.000 TYR 104 0.840 -28.191 84.706 -73.159 -99.200 -91.000 PHE 107 1.000 -33.214 81.679 -72.103 -99.200 -91.000 PHE 123 1.000 -30.462 81.709 -77.344 -99.200 -91.000 HIS 133 0.900 -19.472 90.723 -73.079 -99.200 -91.000 TYR 136 0.840 -12.956 94.128 -68.688 -99.200 -91.000 TYR 137 0.840 -18.030 93.015 -66.860 -99.200 -91.000 HIS 143 0.900 -5.728 92.556 -62.650 -99.200 -91.000 TYR 151 0.840 -6.311 97.684 -62.133 -99.200 -91.000 PHE 169 1.000 -31.168 111.207 -91.108 -99.200 -91.000