============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. HIS 2 0.900 4.118 -3.740 -56.247 -99.200 -91.000 HIS 12 0.900 4.533 -15.317 -41.904 -99.200 -91.000 HIS 36 0.900 9.121 12.411 -48.548 -99.200 -91.000 HIS 48 0.900 6.812 -12.146 -24.466 -99.200 -91.000 HIS 63 0.900 9.206 13.210 -35.409 -99.200 -91.000 PHE 71 1.000 11.324 3.216 -44.690 -99.200 -91.000 HIS 85 0.900 17.391 24.005 -42.437 -99.200 -91.000 HIS 90 0.900 3.028 15.136 -31.554 -99.200 -91.000 TYR 92 0.840 4.555 10.962 -32.005 -99.200 -91.000 HIS 94 0.900 10.391 11.484 -20.963 -99.200 -91.000 HIS 102 0.900 19.865 17.389 -28.955 -99.200 -91.000 TYR 115 0.840 21.392 -1.287 -33.725 -99.200 -91.000 PHE 117 1.000 17.436 1.766 -28.533 -99.200 -91.000 HIS 122 0.900 4.706 6.455 -32.228 -99.200 -91.000 PHE 134 1.000 19.062 -0.702 -48.468 -99.200 -91.000 HIS 137 0.900 15.985 -0.578 -60.199 -99.200 -91.000 PHE 141 1.000 11.306 -2.714 -51.247 -99.200 -91.000 PHE 161 1.000 15.820 -8.169 -28.651 -99.200 -91.000 TYR 176 0.840 11.515 -6.568 -53.948 -99.200 -91.000