============================================================================= 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. PHE 26 1.000 61.124 9.534 87.965 -99.200 -91.000 PHE 39 1.000 64.715 9.704 96.420 -99.200 -91.000 HIS 40 0.900 68.251 5.787 98.796 -99.200 -91.000 PHE 48 1.000 66.356 15.115 98.064 -99.200 -91.000 PHE 53 1.000 62.366 16.388 85.845 -99.200 -91.000 PHE 73 1.000 67.325 14.626 84.172 -99.200 -91.000 HIS 74 0.900 73.015 9.461 86.826 -99.200 -91.000 PHE 76 1.000 73.198 19.389 84.551 -99.200 -91.000 HIS 80 0.900 70.736 22.054 99.613 -99.200 -91.000 HIS 107 0.900 75.809 33.147 90.917 -99.200 -91.000 HIS 115 0.900 48.533 21.513 94.337 -99.200 -91.000 TYR 116 0.840 52.022 23.699 89.663 -99.200 -91.000