============================================================================= 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. TYR 37 0.840 8.963 -60.925 13.888 -99.200 -91.000 TYR 42 0.840 7.654 -43.064 -2.160 -99.200 -91.000 TYR 44 0.840 3.214 -41.423 -8.253 -99.200 -91.000 PHE 50 1.000 -4.885 -33.438 4.644 -99.200 -91.000 TYR 57 0.840 -2.147 -36.515 2.557 -99.200 -91.000 PHE 59 1.000 -3.073 -42.961 5.892 -99.200 -91.000 HIS 87 0.900 15.570 -38.339 3.016 -99.200 -91.000 TYR 96 0.840 -4.836 -36.429 8.206 -99.200 -91.000 PHE 99 1.000 1.526 -43.454 15.174 -99.200 -91.000 PHE 107 1.000 -0.003 -58.711 11.991 -99.200 -91.000 PHE 109 1.000 8.456 -64.488 9.207 -99.200 -91.000 PHE 114 1.000 4.481 -63.394 14.102 -99.200 -91.000