============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. HIS 3 0.900 34.025 9.765 55.271 -99.200 -91.000 HIS 19 0.900 36.664 1.412 53.892 -99.200 -91.000 HIS 41 0.900 51.173 -7.958 43.526 -99.200 -91.000 PHE 43 1.000 45.579 0.735 45.314 -99.200 -91.000 HIS 44 0.900 48.969 2.004 38.727 -99.200 -91.000 HIS 46 0.900 44.163 1.646 35.553 -99.200 -91.000 PHE 48 1.000 37.518 6.113 30.131 -99.200 -91.000 HIS 61 0.900 48.344 3.769 35.254 -99.200 -91.000 PHE 62 1.000 41.311 11.384 36.717 -99.200 -91.000 HIS 65 0.900 45.951 18.263 36.426 -99.200 -91.000 HIS 69 0.900 53.195 5.062 36.258 -99.200 -91.000 HIS 78 0.900 50.147 8.512 34.146 -99.200 -91.000 HIS 118 0.900 48.079 -2.540 37.073 -99.200 -91.000 HIS 129 0.900 61.309 -3.224 31.333 -99.200 -91.000