============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. HIS 15 0.900 -10.525 18.633 10.718 -99.200 -91.000 HIS 21 0.900 -4.394 25.967 17.632 -99.200 -91.000 PHE 50 1.000 0.897 12.999 10.488 -99.200 -91.000 HIS 52 0.900 -1.366 11.502 21.406 -99.200 -91.000 PHE 70 1.000 -16.162 22.047 -19.237 -99.200 -91.000 HIS 79 0.900 -7.443 23.780 -7.288 -99.200 -91.000 TYR 89 0.840 2.005 16.280 18.550 -99.200 -91.000 TYR 112 0.840 -2.703 20.805 -15.708 -99.200 -91.000 PHE 125 1.000 6.401 22.996 4.956 -99.200 -91.000 TYR 126 0.840 3.553 25.308 1.358 -99.200 -91.000 PHE 131 1.000 3.685 22.284 -3.650 -99.200 -91.000 HIS 134 0.900 5.310 29.733 -11.599 -99.200 -91.000