============================================================================= 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 -6.355 135.829 -60.340 -99.200 -91.000 HIS 26 0.900 -0.243 138.058 -65.042 -99.200 -91.000 TYR 28 0.840 -5.734 128.869 -64.127 -99.200 -91.000 HIS 32 0.900 4.416 125.585 -66.840 -99.200 -91.000 TYR 33 0.840 6.454 130.271 -64.746 -99.200 -91.000 TYR 40 0.840 4.935 115.947 -58.972 -99.200 -91.000 HIS 57 0.900 -10.967 131.543 -72.577 -99.200 -91.000 PHE 61 1.000 -13.768 137.656 -72.310 -99.200 -91.000 TYR 90 0.840 -3.835 120.359 -59.935 -99.200 -91.000 TYR 104 0.840 -15.907 134.781 -67.813 -99.200 -91.000 PHE 107 1.000 -18.966 139.618 -65.932 -99.200 -91.000 PHE 123 1.000 -18.850 137.703 -71.402 -99.200 -91.000 HIS 133 0.900 -9.865 126.225 -69.316 -99.200 -91.000 TYR 136 0.840 -6.319 119.102 -66.122 -99.200 -91.000 TYR 137 0.840 -7.633 123.878 -63.396 -99.200 -91.000 HIS 143 0.900 -7.799 111.053 -61.138 -99.200 -91.000 TYR 151 0.840 -2.862 111.375 -60.413 -99.200 -91.000 PHE 169 1.000 10.485 141.085 -85.314 -99.200 -91.000