============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 4 1.000 20.456 -9.816 -7.692 -99.200 -91.000 PHE 8 1.000 19.633 -2.460 -6.986 -99.200 -91.000 HIS 10 0.900 28.318 -0.188 -14.222 -99.200 -91.000 PHE 25 1.000 9.954 -18.060 -6.588 -99.200 -91.000 HIS 29 0.900 6.035 -21.082 -5.290 -99.200 -91.000 PHE 44 1.000 9.019 -11.295 0.206 -99.200 -91.000 TYR 49 0.840 3.508 -11.927 3.513 -99.200 -91.000 TYR 60 0.840 9.768 -27.036 5.726 -99.200 -91.000 PHE 61 1.000 0.962 -28.707 6.355 -99.200 -91.000 HIS 65 0.900 6.708 -22.069 21.056 -99.200 -91.000 PHE 67 1.000 6.564 -18.191 11.634 -99.200 -91.000 PHE 68 1.000 9.438 -14.076 18.123 -99.200 -91.000 PHE 74 1.000 16.777 -4.476 13.940 -99.200 -91.000 PHE 83 1.000 12.477 -21.183 11.790 -99.200 -91.000 PHE 85 1.000 18.745 -14.677 5.556 -99.200 -91.000 TYR 116 0.840 18.585 -14.845 -9.833 -99.200 -91.000 PHE 119 1.000 13.133 -17.057 -11.139 -99.200 -91.000 TYR 122 0.840 13.348 -24.167 -2.946 -99.200 -91.000