============================================================================= 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 9 0.900 -18.327 -5.235 -26.441 -99.200 -91.000 HIS 31 0.900 -11.001 -23.565 -8.545 -99.200 -91.000 HIS 43 0.900 -2.382 3.705 -24.514 -99.200 -91.000 HIS 55 0.900 -0.185 -19.399 -9.286 -99.200 -91.000 PHE 63 1.000 -13.726 -15.629 -11.473 -99.200 -91.000 HIS 77 0.900 -2.550 -28.625 1.290 -99.200 -91.000 HIS 82 0.900 4.730 -22.069 -13.932 -99.200 -91.000 TYR 84 0.840 2.244 -18.246 -14.731 -99.200 -91.000 HIS 86 0.900 11.106 -10.289 -10.479 -99.200 -91.000 HIS 94 0.900 5.385 -14.516 1.193 -99.200 -91.000 TYR 107 0.840 -7.736 -2.311 -5.846 -99.200 -91.000 PHE 109 1.000 -1.130 -3.752 -8.235 -99.200 -91.000 HIS 114 0.900 0.046 -14.721 -16.741 -99.200 -91.000 PHE 126 1.000 -19.072 -11.247 -5.743 -99.200 -91.000 HIS 129 0.900 -28.063 -19.055 -5.476 -99.200 -91.000 PHE 133 1.000 -22.452 -13.732 -13.125 -99.200 -91.000 PHE 153 1.000 -5.271 2.653 -14.408 -99.200 -91.000 TYR 167 0.840 -27.386 -12.741 -12.552 -99.200 -91.000