============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 11 rings ring int. center anis. iso. PHE 4 1.000 -0.674 40.129 65.117 -99.200 -91.000 PHE 13 1.000 -1.066 45.118 57.558 -99.200 -91.000 HIS 18 0.900 2.773 38.147 56.166 -99.200 -91.000 HIS 22 0.900 1.501 48.374 55.883 -99.200 -91.000 HIS 26 0.900 3.039 53.294 56.132 -99.200 -91.000 PHE 32 1.000 15.754 41.059 54.519 -99.200 -91.000 PHE 41 1.000 15.985 43.563 45.972 -99.200 -91.000 HIS 50 0.900 17.950 41.755 41.919 -99.200 -91.000 HIS 55 0.900 22.438 39.405 40.092 -99.200 -91.000 TYR 72 0.840 34.418 21.081 19.797 -99.200 -91.000 HIS 73 0.900 37.321 24.385 23.167 -99.200 -91.000