============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 7 1.000 -22.986 -32.386 135.706 -99.200 -91.000 HIS 9 0.900 -18.146 -39.827 129.821 -99.200 -91.000 TYR 23 0.840 -12.030 -28.944 140.117 -99.200 -91.000 PHE 32 1.000 -13.739 -21.900 147.179 -99.200 -91.000 TYR 48 0.840 -10.791 -54.541 141.555 -99.200 -91.000 TYR 52 0.840 -7.392 -52.351 146.216 -99.200 -91.000 PHE 53 1.000 -7.500 -47.433 145.940 -99.200 -91.000 HIS 76 0.900 -19.381 -33.689 130.552 -99.200 -91.000 HIS 97 0.900 -8.885 -37.067 128.826 -99.200 -91.000 HIS 98 0.900 -13.015 -36.438 126.242 -99.200 -91.000 PHE 103 1.000 -18.608 -25.399 127.211 -99.200 -91.000 TYR 110 0.840 -9.362 -22.794 135.840 -99.200 -91.000 TYR 111 0.840 -13.125 -25.810 127.964 -99.200 -91.000 TYR 127 0.840 -6.428 -33.060 144.916 -99.200 -91.000 PHE 153 1.000 0.406 -46.781 133.454 -99.200 -91.000 TYR 180 0.840 -6.312 -50.656 141.689 -99.200 -91.000 PHE 207 1.000 -18.338 -38.245 119.868 -99.200 -91.000 PHE 250 1.000 -24.680 -47.374 118.425 -99.200 -91.000 PHE 278 1.000 -11.756 -45.837 111.593 -99.200 -91.000