============================================================================= 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 22.053 -1.395 111.410 -99.200 -91.000 PHE 39 1.000 27.314 -0.555 119.004 -99.200 -91.000 HIS 40 0.900 25.462 -0.105 124.454 -99.200 -91.000 PHE 48 1.000 32.313 -3.515 118.686 -99.200 -91.000 PHE 53 1.000 25.552 -6.836 107.961 -99.200 -91.000 PHE 73 1.000 22.395 -10.213 111.197 -99.200 -91.000 HIS 74 0.900 19.889 -10.789 118.862 -99.200 -91.000 PHE 76 1.000 25.784 -17.038 113.152 -99.200 -91.000 HIS 80 0.900 37.680 -9.620 119.519 -99.200 -91.000 HIS 107 0.900 39.798 -22.860 112.383 -99.200 -91.000 HIS 115 0.900 35.880 4.927 101.918 -99.200 -91.000 TYR 116 0.840 34.302 -1.055 100.315 -99.200 -91.000