============================================================================= 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 -44.948 66.516 -0.585 -99.200 -91.000 HIS 26 0.900 -45.023 71.343 5.861 -99.200 -91.000 TYR 28 0.840 -37.394 69.021 -1.356 -99.200 -91.000 HIS 32 0.900 -31.699 70.669 7.958 -99.200 -91.000 TYR 33 0.840 -36.315 69.339 10.903 -99.200 -91.000 TYR 40 0.840 -23.835 61.152 6.638 -99.200 -91.000 HIS 57 0.900 -39.385 78.073 -6.000 -99.200 -91.000 PHE 61 1.000 -45.720 79.068 -7.642 -99.200 -91.000 TYR 90 0.840 -29.440 63.332 -1.229 -99.200 -91.000 TYR 104 0.840 -44.304 74.221 -10.175 -99.200 -91.000 PHE 107 1.000 -49.701 73.293 -12.220 -99.200 -91.000 PHE 123 1.000 -47.059 78.457 -12.454 -99.200 -91.000 HIS 133 0.900 -34.652 73.908 -5.857 -99.200 -91.000 TYR 136 0.840 -27.671 69.271 -3.775 -99.200 -91.000 TYR 137 0.840 -33.005 67.531 -4.166 -99.200 -91.000 HIS 143 0.900 -20.914 63.037 -6.868 -99.200 -91.000 TYR 151 0.840 -20.839 62.426 -1.615 -99.200 -91.000 PHE 169 1.000 -42.033 91.136 17.144 -99.200 -91.000