============================================================================= 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 25 1.000 -30.471 -1.695 24.616 -99.200 -91.000 PHE 38 1.000 -37.885 3.506 25.594 -99.200 -91.000 HIS 39 0.900 -42.889 2.961 22.741 -99.200 -91.000 PHE 47 1.000 -38.838 5.138 31.213 -99.200 -91.000 PHE 52 1.000 -28.718 -3.060 31.544 -99.200 -91.000 PHE 72 1.000 -32.361 -7.428 31.099 -99.200 -91.000 HIS 73 0.900 -39.709 -8.819 28.045 -99.200 -91.000 PHE 75 1.000 -36.096 -9.225 37.651 -99.200 -91.000 HIS 79 0.900 -41.625 5.240 38.962 -99.200 -91.000 HIS 106 0.900 -38.172 -2.674 51.509 -99.200 -91.000 HIS 114 0.900 -21.099 12.243 32.037 -99.200 -91.000 TYR 115 0.840 -20.872 6.677 35.203 -99.200 -91.000