============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 1 1.000 12.801 37.158 33.769 -99.200 -91.000 TYR 19 0.840 25.790 6.599 19.241 -99.200 -91.000 HIS 21 0.900 22.707 -3.193 23.371 -99.200 -91.000 PHE 36 1.000 22.618 9.398 15.629 -99.200 -91.000 PHE 42 1.000 28.010 9.974 13.945 -99.200 -91.000 HIS 55 0.900 18.666 7.568 9.554 -99.200 -91.000 PHE 61 1.000 32.076 7.353 12.497 -99.200 -91.000 PHE 62 1.000 28.599 4.163 14.043 -99.200 -91.000 PHE 66 1.000 29.133 -1.118 13.873 -99.200 -91.000 HIS 70 0.900 36.227 -8.267 21.255 -99.200 -91.000 HIS 71 0.900 33.207 -0.281 18.811 -99.200 -91.000 HIS 73 0.900 32.026 3.133 22.418 -99.200 -91.000 TYR 74 0.840 32.502 0.826 30.671 -99.200 -91.000 PHE 78 1.000 23.768 9.407 30.810 -99.200 -91.000 TYR 83 0.840 11.915 20.235 28.360 -99.200 -91.000 TYR 92 0.840 32.224 14.125 32.562 -99.200 -91.000 TYR 110 0.840 28.954 9.623 23.456 -99.200 -91.000 PHE 111 1.000 29.541 18.452 24.669 -99.200 -91.000 PHE 112 1.000 23.257 11.446 21.478 -99.200 -91.000 TRP 121 1.040 12.474 13.062 24.356 -99.200 -91.000 TRP6 121 1.020 12.626 15.387 23.966 -99.200 -91.000 TYR 126 0.840 27.566 11.537 19.022 -99.200 -91.000 PHE 129 1.000 39.970 13.646 22.046 -99.200 -91.000