data_nef_c15058_2jms save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 THR start . . 2 A 2 ASP middle . . 3 A 3 PRO middle . false 4 A 4 GLU middle . . 5 A 5 GLU middle . . 6 A 6 HIS middle . . 7 A 7 PHE middle . . 8 A 8 ASP middle . . 9 A 9 PRO middle . false 10 A 10 ASN middle . . 11 A 11 THR middle . . 12 A 12 ASN middle . . 13 A 13 CYS middle . . 14 A 14 ASP middle . . 15 A 15 TYR middle . . 16 A 16 THR middle . . 17 A 17 ASN middle . . 18 A 18 SER middle . . 19 A 19 GLN middle . . 20 A 20 ASP middle . . 21 A 21 ALA middle . . 22 A 22 TRP middle . . 23 A 23 ASP middle . . 24 A 24 TYR middle . . 25 A 25 CYS middle . . 26 A 26 THR middle . . 27 A 27 ASN middle . . 28 A 28 TYR middle . . 29 A 29 ILE middle . . 30 A 30 VAL middle . . 31 A 31 ASN middle . . 32 A 32 SER middle . . 33 A 33 SER middle . . 34 A 34 CYS middle . . 35 A 35 GLY middle . false 36 A 36 GLU middle . . 37 A 37 ILE middle . . 38 A 38 CYS middle . . 39 A 39 CYS middle . . 40 A 40 ASN middle . . 41 A 41 ASP middle . . 42 A 42 CYS middle . . 43 A 43 PHE middle . . 44 A 44 ASP middle . . 45 A 45 GLU middle . . 46 A 46 THR middle . . 47 A 47 GLY middle . false 48 A 48 THR middle . . 49 A 49 GLY middle . false 50 A 50 ALA middle . . 51 A 51 CYS middle . . 52 A 52 ARG middle . . 53 A 53 ALA middle . . 54 A 54 GLN middle . . 55 A 55 ALA middle . . 56 A 56 PHE middle . . 57 A 57 GLY middle . false 58 A 58 ASN middle . . 59 A 59 SER middle . . 60 A 60 CYS middle . . 61 A 61 LEU middle . . 62 A 62 ASN middle . . 63 A 63 TRP end . . stop_ save_ save_EN6_NMR-STAR _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode EN6_NMR-STAR loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 THR HA H 1 3.676 0.005 A 1 THR HB H 1 3.836 0.005 A 1 THR HG2% H 1 0.946 0.005 A 2 ASP HA H 1 4.798 0.005 A 2 ASP HB2 H 1 2.766 0.005 A 2 ASP HB3 H 1 2.517 0.005 A 3 PRO HA H 1 3.942 0.005 A 3 PRO HB2 H 1 1.766 0.005 A 3 PRO HB3 H 1 1.932 0.005 A 3 PRO HD2 H 1 3.302 0.005 A 3 PRO HD3 H 1 3.543 0.005 A 3 PRO HG2 H 1 0.709 0.005 A 3 PRO HG3 H 1 1.371 0.005 A 4 GLU H H 1 8.041 0.005 A 4 GLU HA H 1 4.077 0.005 A 4 GLU HB2 H 1 2.054 0.005 A 4 GLU HB3 H 1 1.990 0.005 A 4 GLU HGx H 1 2.318 0.005 A 5 GLU H H 1 7.618 0.005 A 5 GLU HA H 1 4.086 0.005 A 5 GLU HB2 H 1 1.813 0.005 A 5 GLU HB3 H 1 1.919 0.005 A 5 GLU HG2 H 1 2.015 0.005 A 5 GLU HG3 H 1 2.157 0.005 A 6 HIS H H 1 7.572 0.005 A 6 HIS HA H 1 5.069 0.005 A 6 HIS HB2 H 1 2.891 0.005 A 6 HIS HB3 H 1 4.142 0.005 A 6 HIS HD2 H 1 7.307 0.005 A 6 HIS HE1 H 1 8.624 0.005 A 7 PHE H H 1 7.693 0.005 A 7 PHE HA H 1 4.558 0.005 A 7 PHE HB2 H 1 3.141 0.005 A 7 PHE HB3 H 1 3.319 0.005 A 7 PHE HDx H 1 6.996 0.005 A 7 PHE HEx H 1 7.104 0.005 A 8 ASP H H 1 8.085 0.005 A 8 ASP HA H 1 4.608 0.005 A 8 ASP HBx H 1 2.466 0.005 A 9 PRO HA H 1 4.490 0.005 A 9 PRO HB2 H 1 2.048 0.005 A 9 PRO HB3 H 1 1.975 0.005 A 9 PRO HD2 H 1 3.111 0.005 A 9 PRO HD3 H 1 1.132 0.005 A 9 PRO HG2 H 1 1.499 0.005 A 9 PRO HG3 H 1 1.842 0.005 A 10 ASN H H 1 8.290 0.005 A 10 ASN HA H 1 4.921 0.005 A 10 ASN HB2 H 1 3.007 0.005 A 10 ASN HB3 H 1 3.474 0.005 A 10 ASN HD21 H 1 7.616 0.005 A 10 ASN HD22 H 1 7.563 0.005 A 11 THR H H 1 7.886 0.005 A 11 THR HA H 1 4.012 0.005 A 11 THR HB H 1 4.260 0.005 A 11 THR HG2% H 1 1.256 0.005 A 12 ASN H H 1 8.452 0.005 A 12 ASN HA H 1 4.734 0.005 A 12 ASN HB2 H 1 2.556 0.005 A 12 ASN HB3 H 1 2.826 0.005 A 12 ASN HD21 H 1 7.748 0.005 A 12 ASN HD22 H 1 6.747 0.005 A 13 CYS H H 1 7.391 0.005 A 13 CYS HA H 1 4.556 0.005 A 13 CYS HB2 H 1 2.847 0.005 A 13 CYS HB3 H 1 3.329 0.005 A 14 ASP H H 1 9.212 0.005 A 14 ASP HA H 1 4.344 0.005 A 14 ASP HB2 H 1 1.737 0.005 A 14 ASP HB3 H 1 2.085 0.005 A 15 TYR H H 1 7.214 0.005 A 15 TYR HA H 1 4.889 0.005 A 15 TYR HB2 H 1 2.560 0.005 A 15 TYR HB3 H 1 3.375 0.005 A 15 TYR HDx H 1 7.121 0.005 A 15 TYR HEx H 1 6.388 0.005 A 16 THR H H 1 9.063 0.005 A 16 THR HA H 1 4.541 0.005 A 16 THR HB H 1 4.647 0.005 A 16 THR HG2% H 1 1.275 0.005 A 17 ASN H H 1 7.518 0.005 A 17 ASN HA H 1 4.766 0.005 A 17 ASN HB2 H 1 2.848 0.005 A 17 ASN HB3 H 1 2.796 0.005 A 17 ASN HD21 H 1 7.272 0.005 A 17 ASN HD22 H 1 7.445 0.005 A 18 SER H H 1 8.710 0.005 A 18 SER HA H 1 2.765 0.005 A 18 SER HBx H 1 3.486 0.005 A 19 GLN H H 1 8.005 0.005 A 19 GLN HA H 1 3.992 0.005 A 19 GLN HB2 H 1 2.111 0.005 A 19 GLN HB3 H 1 2.156 0.005 A 19 GLN HE21 H 1 6.741 0.005 A 19 GLN HE22 H 1 8.083 0.005 A 19 GLN HG2 H 1 2.409 0.005 A 19 GLN HG3 H 1 2.466 0.005 A 20 ASP H H 1 8.265 0.005 A 20 ASP HA H 1 4.458 0.005 A 20 ASP HB2 H 1 2.660 0.005 A 20 ASP HB3 H 1 2.753 0.005 A 21 ALA H H 1 7.769 0.005 A 21 ALA HA H 1 3.905 0.005 A 21 ALA HB% H 1 1.481 0.005 A 22 TRP H H 1 8.751 0.005 A 22 TRP HA H 1 4.315 0.005 A 22 TRP HBx H 1 3.395 0.005 A 22 TRP HD1 H 1 7.226 0.005 A 22 TRP HE1 H 1 9.860 0.005 A 22 TRP HE3 H 1 6.799 0.005 A 22 TRP HH2 H 1 6.700 0.005 A 22 TRP HZ2 H 1 7.295 0.005 A 22 TRP HZ3 H 1 6.137 0.005 A 23 ASP H H 1 9.185 0.005 A 23 ASP HA H 1 4.236 0.005 A 23 ASP HB2 H 1 2.376 0.005 A 23 ASP HB3 H 1 2.837 0.005 A 24 TYR H H 1 8.669 0.005 A 24 TYR HA H 1 4.424 0.005 A 24 TYR HB2 H 1 2.256 0.005 A 24 TYR HB3 H 1 2.956 0.005 A 24 TYR HDx H 1 7.113 0.005 A 24 TYR HEx H 1 6.747 0.005 A 25 CYS H H 1 9.155 0.005 A 25 CYS HA H 1 4.810 0.005 A 25 CYS HB2 H 1 3.651 0.005 A 25 CYS HB3 H 1 3.169 0.005 A 26 THR H H 1 7.986 0.005 A 26 THR HA H 1 4.044 0.005 A 26 THR HB H 1 3.878 0.005 A 26 THR HG2% H 1 0.220 0.005 A 27 ASN H H 1 8.005 0.005 A 27 ASN HA H 1 4.552 0.005 A 27 ASN HB2 H 1 3.561 0.005 A 27 ASN HB3 H 1 2.004 0.005 A 27 ASN HD21 H 1 6.607 0.005 A 27 ASN HD22 H 1 7.016 0.005 A 28 TYR H H 1 7.830 0.005 A 28 TYR HA H 1 3.954 0.005 A 28 TYR HB2 H 1 2.843 0.005 A 28 TYR HB3 H 1 3.102 0.005 A 28 TYR HDx H 1 6.952 0.005 A 28 TYR HEx H 1 6.811 0.005 A 29 ILE H H 1 6.950 0.005 A 29 ILE HA H 1 3.697 0.005 A 29 ILE HB H 1 0.661 0.005 A 29 ILE HD1% H 1 1.109 0.005 A 29 ILE HG12 H 1 0.491 0.005 A 29 ILE HG13 H 1 0.755 0.005 A 29 ILE HG2% H 1 0.565 0.005 A 30 VAL H H 1 8.023 0.005 A 30 VAL HA H 1 3.657 0.005 A 30 VAL HB H 1 1.818 0.005 A 30 VAL HG1% H 1 0.971 0.005 A 31 ASN H H 1 9.183 0.005 A 31 ASN HA H 1 5.079 0.005 A 31 ASN HB2 H 1 2.881 0.005 A 31 ASN HB3 H 1 3.014 0.005 A 31 ASN HD21 H 1 8.496 0.005 A 31 ASN HD22 H 1 8.224 0.005 A 32 SER H H 1 8.225 0.005 A 32 SER HA H 1 2.882 0.005 A 32 SER HBx H 1 3.017 0.005 A 33 SER H H 1 8.185 0.005 A 33 SER HA H 1 4.909 0.005 A 33 SER HB2 H 1 4.047 0.005 A 33 SER HB3 H 1 4.309 0.005 A 34 CYS H H 1 6.861 0.005 A 34 CYS HA H 1 4.719 0.005 A 34 CYS HB2 H 1 3.173 0.005 A 34 CYS HB3 H 1 3.598 0.005 A 35 GLY H H 1 9.891 0.005 A 35 GLY HA2 H 1 3.195 0.005 A 35 GLY HA3 H 1 4.804 0.005 A 36 GLU H H 1 8.294 0.005 A 36 GLU HA H 1 3.315 0.005 A 36 GLU HB2 H 1 1.872 0.005 A 36 GLU HB3 H 1 2.166 0.005 A 36 GLU HGx H 1 1.966 0.005 A 37 ILE H H 1 8.075 0.005 A 37 ILE HA H 1 3.692 0.005 A 37 ILE HB H 1 1.909 0.005 A 37 ILE HD1% H 1 0.854 0.005 A 37 ILE HG12 H 1 1.577 0.005 A 37 ILE HG13 H 1 1.238 0.005 A 37 ILE HG2% H 1 0.974 0.005 A 38 CYS H H 1 7.801 0.005 A 38 CYS HA H 1 4.438 0.005 A 38 CYS HB2 H 1 3.347 0.005 A 38 CYS HB3 H 1 3.625 0.005 A 39 CYS H H 1 9.403 0.005 A 39 CYS HA H 1 4.569 0.005 A 39 CYS HB2 H 1 2.996 0.005 A 39 CYS HB3 H 1 3.241 0.005 A 40 ASN H H 1 8.564 0.005 A 40 ASN HA H 1 4.783 0.005 A 40 ASN HB2 H 1 2.870 0.005 A 40 ASN HB3 H 1 3.044 0.005 A 40 ASN HD21 H 1 7.694 0.005 A 40 ASN HD22 H 1 7.207 0.005 A 41 ASP H H 1 8.835 0.005 A 41 ASP HA H 1 4.788 0.005 A 41 ASP HB2 H 1 2.619 0.005 A 41 ASP HB3 H 1 2.884 0.005 A 42 CYS H H 1 8.380 0.005 A 42 CYS HA H 1 4.553 0.005 A 42 CYS HB2 H 1 2.767 0.005 A 42 CYS HB3 H 1 3.073 0.005 A 43 PHE H H 1 8.061 0.005 A 43 PHE HA H 1 5.267 0.005 A 43 PHE HB2 H 1 3.125 0.005 A 43 PHE HB3 H 1 3.325 0.005 A 43 PHE HDx H 1 7.686 0.005 A 43 PHE HEx H 1 7.442 0.005 A 43 PHE HZ H 1 7.544 0.005 A 44 ASP H H 1 8.687 0.005 A 44 ASP HA H 1 5.010 0.005 A 44 ASP HB2 H 1 2.972 0.005 A 44 ASP HB3 H 1 3.556 0.005 A 45 GLU H H 1 8.809 0.005 A 45 GLU HA H 1 4.136 0.005 A 45 GLU HB2 H 1 2.238 0.005 A 45 GLU HB3 H 1 2.165 0.005 A 45 GLU HGx H 1 2.386 0.005 A 46 THR H H 1 8.243 0.005 A 46 THR HA H 1 4.073 0.005 A 46 THR HB H 1 3.775 0.005 A 46 THR HG2% H 1 1.006 0.005 A 47 GLY H H 1 9.293 0.005 A 47 GLY HA2 H 1 3.484 0.005 A 47 GLY HA3 H 1 3.733 0.005 A 48 THR H H 1 9.173 0.005 A 48 THR HA H 1 3.783 0.005 A 48 THR HB H 1 4.342 0.005 A 48 THR HG2% H 1 1.277 0.005 A 49 GLY H H 1 7.826 0.005 A 49 GLY HA2 H 1 3.864 0.005 A 49 GLY HA3 H 1 4.082 0.005 A 50 ALA H H 1 7.388 0.005 A 50 ALA HA H 1 4.349 0.005 A 50 ALA HB% H 1 1.616 0.005 A 51 CYS H H 1 8.393 0.005 A 51 CYS HA H 1 3.464 0.005 A 51 CYS HBx H 1 2.403 0.005 A 52 ARG H H 1 8.865 0.005 A 52 ARG HA H 1 4.079 0.005 A 52 ARG HB2 H 1 1.960 0.005 A 52 ARG HB3 H 1 2.356 0.005 A 52 ARG HDx H 1 3.161 0.005 A 52 ARG HE H 1 10.586 0.005 A 52 ARG HG2 H 1 1.516 0.005 A 52 ARG HG3 H 1 2.516 0.005 A 52 ARG HH2x H 1 6.454 0.005 A 53 ALA H H 1 7.853 0.005 A 53 ALA HA H 1 4.180 0.005 A 53 ALA HB% H 1 1.532 0.005 A 54 GLN H H 1 8.044 0.005 A 54 GLN HA H 1 4.179 0.005 A 54 GLN HB2 H 1 1.830 0.005 A 54 GLN HB3 H 1 2.132 0.005 A 54 GLN HE21 H 1 7.059 0.005 A 54 GLN HE22 H 1 7.583 0.005 A 54 GLN HGx H 1 2.404 0.005 A 55 ALA H H 1 8.677 0.005 A 55 ALA HA H 1 4.523 0.005 A 55 ALA HB% H 1 1.697 0.005 A 56 PHE H H 1 8.607 0.005 A 56 PHE HA H 1 3.849 0.005 A 56 PHE HB2 H 1 2.845 0.005 A 56 PHE HB3 H 1 2.295 0.005 A 56 PHE HDx H 1 6.169 0.005 A 56 PHE HEx H 1 7.110 0.005 A 57 GLY H H 1 7.919 0.005 A 57 GLY HA2 H 1 3.920 0.005 A 57 GLY HA3 H 1 3.639 0.005 A 58 ASN H H 1 7.734 0.005 A 58 ASN HA H 1 5.036 0.005 A 58 ASN HB2 H 1 3.241 0.005 A 58 ASN HB3 H 1 3.333 0.005 A 58 ASN HD21 H 1 6.739 0.005 A 58 ASN HD22 H 1 6.972 0.005 A 59 SER H H 1 7.640 0.005 A 59 SER HA H 1 4.000 0.005 A 59 SER HB2 H 1 4.086 0.005 A 59 SER HB3 H 1 4.046 0.005 A 60 CYS H H 1 8.296 0.005 A 60 CYS HA H 1 4.496 0.005 A 60 CYS HB2 H 1 2.630 0.005 A 60 CYS HB3 H 1 2.852 0.005 A 61 LEU H H 1 9.180 0.005 A 61 LEU HA H 1 4.335 0.005 A 61 LEU HBx H 1 1.739 0.005 A 61 LEU HD1% H 1 0.987 0.005 A 61 LEU HD2% H 1 1.037 0.005 A 61 LEU HG H 1 1.729 0.005 A 62 ASN H H 1 7.742 0.005 A 62 ASN HA H 1 5.098 0.005 A 62 ASN HB2 H 1 2.802 0.005 A 62 ASN HB3 H 1 3.026 0.005 A 62 ASN HD21 H 1 6.881 0.005 A 62 ASN HD22 H 1 6.253 0.005 A 63 TRP H H 1 6.789 0.005 A 63 TRP HA H 1 3.881 0.005 A 63 TRP HBx H 1 2.926 0.005 A 63 TRP HD1 H 1 7.711 0.005 A 63 TRP HE1 H 1 10.297 0.005 A 63 TRP HE3 H 1 7.675 0.005 A 63 TRP HH2 H 1 6.995 0.005 A 63 TRP HZ2 H 1 7.304 0.005 A 63 TRP HZ3 H 1 6.873 0.005 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 36 GLU H A 52 ARG HE 1.0 . 4.29 2 2 A 52 ARG HE A 52 ARG HA 1.0 . 4.24 3 3 A 52 ARG HE A 36 GLU HA 1.0 . 3.93 4 4 A 35 GLY H A 55 ALA HB% 1.0 . 4.20 5 5 A 36 GLU H A 35 GLY H 1.0 . 4.48 6 6 A 44 ASP H A 47 GLY H 1.0 . 4.40 7 7 A 47 GLY H A 48 THR H 1.0 . 3.08 8 8 A 47 GLY H A 45 GLU H 1.0 . 4.58 9 9 A 47 GLY H A 46 THR H 1.0 . 3.14 10 10 A 47 GLY H A 44 ASP HB3 1.0 . 4.72 11 11 A 47 GLY H A 43 PHE HB2 1.0 . 4.68 12 12 A 47 GLY H A 46 THR HG2% 1.0 . 4.61 13 13 A 14 ASP H A 15 TYR H 1.0 . 3.36 14 14 A 14 ASP H A 15 TYR HD% 1.0 . 4.17 15 15 A 31 ASN H A 31 ASN HD21 1.0 . 3.35 16 16 A 31 ASN H A 32 SER H 1.0 . 3.70 17 17 A 31 ASN H A 34 CYS H 1.0 . 5.04 18 18 A 31 ASN H A 34 CYS HB3 1.0 . 4.47 19 19 A 31 ASN H A 31 ASN HB2 1.0 . 4.04 20 20 A 31 ASN H A 30 VAL HB 1.0 . 4.55 21 21 A 61 LEU H A 61 LEU HD1% 1.0 . 4.18 22 22 A 61 LEU H A 60 CYS HB2 1.0 . 4.43 23 23 A 16 THR H A 17 ASN H 1.0 . 2.96 24 24 A 15 TYR H A 16 THR H 1.0 . 4.73 25 25 A 50 ALA H A 52 ARG H 1.0 . 4.53 26 26 A 52 ARG H A 39 CYS HB3 1.0 . 4.70 27 27 A 52 ARG H A 51 CYS H 1.0 . 3.07 28 28 A 39 CYS H A 41 ASP H 1.0 . 4.59 29 29 A 41 ASP H A 40 ASN H 1.0 . 3.23 30 30 A 41 ASP H A 38 CYS H 1.0 . 4.68 31 31 A 41 ASP H A 41 ASP HB2 1.0 . 3.49 32 32 A 45 GLU H A 45 GLU HGx 1.0 . 4.56 33 32 A 45 GLU H A 45 GLU HGy 1.0 . 4.56 34 33 A 22 TRP H A 23 ASP H 1.0 . 3.09 35 34 A 22 TRP H A 43 PHE HE% 1.0 . 4.05 36 35 A 18 SER H A 19 GLN H 1.0 . 3.37 37 36 A 18 SER H A 17 ASN HB2 1.0 . 3.65 38 37 A 44 ASP H A 8 ASP H 1.0 . 3.91 39 38 A 44 ASP H A 6 HIS HB3 1.0 . 4.45 40 39 A 44 ASP H A 44 ASP HB2 1.0 . 3.58 41 40 A 55 ALA H A 56 PHE H 1.0 . 3.02 42 41 A 24 TYR H A 25 CYS H 1.0 . 3.07 43 42 A 56 PHE H A 54 GLN H 1.0 . 4.64 44 43 A 56 PHE H A 56 PHE HD% 1.0 . 4.32 45 44 A 39 CYS H A 40 ASN H 1.0 . 3.09 46 45 A 40 ASN H A 38 CYS H 1.0 . 4.40 47 46 A 39 CYS HB3 A 40 ASN H 1.0 . 3.65 48 47 A 31 ASN HD21 A 24 TYR HB3 1.0 . 4.61 49 48 A 31 ASN HD21 A 31 ASN HB2 1.0 . 3.71 50 49 A 12 ASN H A 13 CYS HB2 1.0 . 4.51 51 50 A 12 ASN H A 12 ASN HB3 1.0 . 3.62 52 51 A 12 ASN H A 13 CYS H 1.0 . 2.80 53 52 A 12 ASN H A 11 THR HB 1.0 . 4.57 54 53 A 51 CYS H A 53 ALA H 1.0 . 4.53 55 54 A 41 ASP H A 42 CYS H 1.0 . 3.18 56 55 A 42 CYS H A 43 PHE H 1.0 . 3.22 57 56 A 42 CYS H A 42 CYS HB2 1.0 . 3.83 58 57 A 27 ASN HD22 A 60 CYS H 1.0 . 4.62 59 58 A 13 CYS HB2 A 10 ASN H 1.0 . 3.56 60 59 A 36 GLU H A 36 GLU HGx 1.0 . 4.47 61 59 A 36 GLU H A 36 GLU HGy 1.0 . 4.47 62 60 A 36 GLU H A 37 ILE HB 1.0 . 4.69 63 61 A 10 ASN H A 42 CYS HA 1.0 . 4.66 64 62 A 19 GLN H A 20 ASP H 1.0 . 3.22 65 63 A 20 ASP H A 21 ALA H 1.0 . 3.08 66 64 A 45 GLU H A 46 THR H 1.0 . 3.65 67 65 A 46 THR H A 44 ASP HB2 1.0 . 4.14 68 66 A 34 CYS H A 33 SER H 1.0 . 2.82 69 67 A 33 SER H A 33 SER HB2 1.0 . 3.47 70 68 A 19 GLN HE22 A 22 TRP HD1 1.0 . 4.04 71 69 A 8 ASP H A 9 PRO HD2 1.0 . 4.16 72 70 A 19 GLN HE22 A 19 GLN HG2 1.0 . 3.79 73 71 A 39 CYS H A 37 ILE H 1.0 . 4.30 74 72 A 38 CYS H A 37 ILE H 1.0 . 3.24 75 73 A 37 ILE H A 35 GLY HA3 1.0 . 3.94 76 74 A 43 PHE HB2 A 43 PHE H 1.0 . 3.82 77 75 A 55 ALA H A 54 GLN H 1.0 . 2.93 78 76 A 4 GLU H A 18 SER HBx 1.0 . 4.69 79 76 A 4 GLU H A 18 SER HBy 1.0 . 4.69 80 77 A 30 VAL HB A 30 VAL H 1.0 . 3.45 81 78 A 30 VAL H A 29 ILE H 1.0 . 4.13 82 79 A 27 ASN H A 27 ASN HB2 1.0 . 4.19 83 80 A 19 GLN H A 18 SER HBx 1.0 . 4.54 84 80 A 19 GLN H A 18 SER HBy 1.0 . 4.54 85 81 A 27 ASN H A 28 TYR H 1.0 . 3.57 86 82 A 27 ASN H A 28 TYR HB3 1.0 . 4.73 87 83 A 19 GLN H A 17 ASN HB2 1.0 . 4.29 88 84 A 19 GLN H A 17 ASN HB3 1.0 . 4.19 89 85 A 19 GLN H A 19 GLN HG3 1.0 . 4.54 90 86 A 19 GLN H A 19 GLN HG2 1.0 . 5.34 91 87 A 25 CYS H A 26 THR H 1.0 . 3.12 92 88 A 27 ASN H A 34 CYS HB2 1.0 . 3.96 93 89 A 55 ALA H A 57 GLY H 1.0 . 4.68 94 90 A 56 PHE H A 57 GLY H 1.0 . 3.27 95 91 A 12 ASN H A 11 THR H 1.0 . 3.60 96 92 A 52 ARG H A 53 ALA H 1.0 . 3.08 97 93 A 55 ALA H A 53 ALA H 1.0 . 4.34 98 94 A 53 ALA H A 52 ARG HG3 1.0 . 4.46 99 95 A 48 THR H A 49 GLY H 1.0 . 3.33 100 96 A 50 ALA H A 49 GLY H 1.0 . 3.27 101 97 A 49 GLY H A 48 THR HG2% 1.0 . 4.14 102 98 A 39 CYS H A 38 CYS H 1.0 . 3.06 103 99 A 22 TRP H A 21 ALA H 1.0 . 3.17 104 100 A 61 LEU H A 62 ASN H 1.0 . 3.07 105 101 A 62 ASN H A 62 ASN HB3 1.0 . 3.61 106 102 A 12 ASN HB3 A 12 ASN HD21 1.0 . 3.56 107 103 A 62 ASN H A 62 ASN HB2 1.0 . 3.78 108 104 A 56 PHE H A 58 ASN H 1.0 . 4.64 109 105 A 60 CYS H A 58 ASN H 1.0 . 4.24 110 106 A 57 GLY H A 58 ASN H 1.0 . 3.26 111 107 A 58 ASN H A 58 ASN HD22 1.0 . 4.77 112 108 A 58 ASN H A 58 ASN HB2 1.0 . 3.39 113 109 A 56 PHE HB2 A 63 TRP HE3 1.0 . 3.95 114 110 A 44 ASP H A 43 PHE HD% 1.0 . 4.00 115 111 A 40 ASN H A 40 ASN HD21 1.0 . 4.01 116 112 A 42 CYS H A 43 PHE HD% 1.0 . 4.41 117 113 A 40 ASN HD21 A 48 THR HA 1.0 . 4.74 118 114 A 43 PHE HD% A 42 CYS HB3 1.0 . 3.87 119 115 A 40 ASN HD21 A 40 ASN HB2 1.0 . 3.67 120 116 A 42 CYS HB2 A 43 PHE HD% 1.0 . 4.19 121 117 A 40 ASN HD21 A 36 GLU HB2 1.0 . 4.25 122 118 A 48 THR HG2% A 40 ASN HD21 1.0 . 4.80 123 119 A 52 ARG HE A 63 TRP HE3 1.0 . 3.94 124 120 A 7 PHE H A 7 PHE HD% 1.0 . 4.39 125 121 A 60 CYS H A 59 SER H 1.0 . 3.13 126 122 A 59 SER H A 59 SER HB3 1.0 . 3.53 127 123 A 59 SER H A 26 THR HB 1.0 . 5.03 128 124 A 58 ASN HB2 A 59 SER H 1.0 . 4.66 129 125 A 41 ASP H A 10 ASN HD21 1.0 . 4.78 130 126 A 4 GLU H A 5 GLU H 1.0 . 3.08 131 127 A 10 ASN HD21 A 10 ASN HB2 1.0 . 3.93 132 128 A 5 GLU H A 5 GLU HG2 1.0 . 3.89 133 129 A 54 GLN HE22 A 58 ASN HD21 1.0 . 4.62 134 130 A 6 HIS H A 6 HIS HD2 1.0 . 4.19 135 131 A 6 HIS H A 6 HIS HB2 1.0 . 3.41 136 132 A 6 HIS H A 5 GLU HB3 1.0 . 4.75 137 133 A 10 ASN H A 10 ASN HD22 1.0 . 4.73 138 134 A 22 TRP H A 43 PHE HZ 1.0 . 3.49 139 135 A 43 PHE HZ A 18 SER HA 1.0 . 4.22 140 136 A 16 THR H A 17 ASN HD22 1.0 . 4.71 141 137 A 17 ASN HB2 A 17 ASN HD22 1.0 . 3.51 142 138 A 14 ASP H A 13 CYS H 1.0 . 4.67 143 139 A 13 CYS H A 10 ASN H 1.0 . 4.07 144 140 A 50 ALA H A 51 CYS H 1.0 . 2.98 145 141 A 6 HIS HD2 A 4 GLU HB3 1.0 . 4.79 146 142 A 6 HIS HD2 A 5 GLU HB2 1.0 . 4.47 147 143 A 20 ASP H A 17 ASN HD21 1.0 . 4.47 148 144 A 17 ASN HD21 A 20 ASP HB3 1.0 . 4.58 149 145 A 22 TRP H A 22 TRP HD1 1.0 . 4.85 150 146 A 23 ASP H A 22 TRP HD1 1.0 . 3.98 151 147 A 40 ASN H A 40 ASN HD22 1.0 . 4.76 152 148 A 40 ASN HD22 A 36 GLU HGx 1.0 . 4.47 153 148 A 36 GLU HGy A 40 ASN HD22 1.0 . 4.47 154 149 A 36 GLU HB2 A 40 ASN HD22 1.0 . 4.27 155 150 A 48 THR HG2% A 40 ASN HD22 1.0 . 4.41 156 151 A 56 PHE HE% A 63 TRP HE1 1.0 . 4.47 157 152 A 23 ASP H A 24 TYR HD% 1.0 . 4.48 158 153 A 25 CYS H A 24 TYR HD% 1.0 . 4.38 159 154 A 15 TYR HD% A 16 THR H 1.0 . 4.26 160 155 A 24 TYR H A 24 TYR HD% 1.0 . 3.18 161 156 A 31 ASN HD21 A 24 TYR HD% 1.0 . 3.79 162 157 A 24 TYR HD% A 31 ASN HD22 1.0 . 3.96 163 158 A 15 TYR HD% A 21 ALA H 1.0 . 4.28 164 159 A 15 TYR H A 15 TYR HD% 1.0 . 3.14 165 160 A 18 SER H A 7 PHE HE% 1.0 . 4.62 166 161 A 27 ASN HD22 A 30 VAL HA 1.0 . 4.77 167 162 A 58 ASN HD22 A 59 SER HB3 1.0 . 4.74 168 163 A 58 ASN HD22 A 58 ASN HB2 1.0 . 3.26 169 164 A 29 ILE H A 28 TYR H 1.0 . 2.87 170 165 A 35 GLY H A 34 CYS H 1.0 . 4.62 171 166 A 34 CYS H A 34 CYS HB2 1.0 . 3.93 172 167 A 63 TRP HZ3 A 52 ARG HDx 1.0 . 4.07 173 167 A 52 ARG HDy A 63 TRP HZ3 1.0 . 4.07 174 168 A 63 TRP HE1 A 63 TRP H 1.0 . 4.43 175 169 A 63 TRP H A 63 TRP HD1 1.0 . 2.66 176 170 A 62 ASN HB3 A 63 TRP H 1.0 . 4.82 177 171 A 12 ASN H A 12 ASN HD22 1.0 . 4.80 178 172 A 22 TRP HD1 A 19 GLN HE21 1.0 . 4.30 179 173 A 19 GLN HE21 A 19 GLN HA 1.0 . 4.31 180 174 A 58 ASN HB2 A 58 ASN HD21 1.0 . 3.94 181 175 A 51 CYS H A 22 TRP HH2 1.0 . 4.40 182 176 A 52 ARG HH2x A 52 ARG HDx 1.0 . 4.39 183 176 A 52 ARG HDy A 52 ARG HH2x 1.0 . 4.39 184 177 A 56 PHE HD% A 63 TRP HE1 1.0 . 3.75 185 178 A 56 PHE HD% A 57 GLY H 1.0 . 4.20 186 179 A 51 CYS H A 22 TRP HZ3 1.0 . 3.88 187 180 A 44 ASP H A 43 PHE HA 1.0 . 2.94 188 181 A 8 ASP H A 43 PHE HA 1.0 . 2.93 189 182 A 43 PHE HE% A 43 PHE HA 1.0 . 4.70 190 183 A 63 TRP HD1 A 62 ASN HA 1.0 . 4.02 191 184 A 63 TRP H A 62 ASN HA 1.0 . 2.93 192 185 A 31 ASN HD21 A 31 ASN HA 1.0 . 4.48 193 186 A 62 ASN HA A 63 TRP HBx 1.0 . 4.61 194 186 A 62 ASN HA A 63 TRP HBy 1.0 . 4.61 195 187 A 45 GLU H A 44 ASP HA 1.0 . 3.04 196 188 A 44 ASP HA A 8 ASP HBx 1.0 . 4.04 197 188 A 44 ASP HA A 8 ASP HBy 1.0 . 4.04 198 189 A 11 THR H A 10 ASN HA 1.0 . 3.21 199 190 A 10 ASN HD22 A 10 ASN HA 1.0 . 4.58 200 191 A 16 THR H A 15 TYR HA 1.0 . 2.79 201 192 A 17 ASN H A 15 TYR HA 1.0 . 4.07 202 193 A 4 GLU H A 2 ASP HA 1.0 . 4.47 203 194 A 10 ASN HD21 A 41 ASP HA 1.0 . 3.02 204 195 A 10 ASN HD22 A 41 ASP HA 1.0 . 3.52 205 196 A 2 ASP HA A 3 PRO HD3 1.0 . 3.50 206 197 A 39 CYS H A 40 ASN HA 1.0 . 5.48 207 198 A 36 GLU H A 35 GLY HA3 1.0 . 2.95 208 199 A 35 GLY H A 34 CYS HA 1.0 . 3.00 209 200 A 31 ASN HD22 A 34 CYS HA 1.0 . 4.41 210 201 A 34 CYS HA A 38 CYS HB3 1.0 . 3.63 211 202 A 16 THR H A 16 THR HB 1.0 . 4.18 212 203 A 17 ASN H A 16 THR HB 1.0 . 4.51 213 204 A 8 ASP H A 7 PHE HA 1.0 . 2.76 214 205 A 43 PHE HD% A 39 CYS HA 1.0 . 2.72 215 206 A 14 ASP H A 13 CYS HA 1.0 . 2.80 216 207 A 31 ASN HD21 A 27 ASN HA 1.0 . 3.82 217 208 A 31 ASN HD22 A 27 ASN HA 1.0 . 4.02 218 209 A 27 ASN H A 27 ASN HA 1.0 . 2.68 219 210 A 7 PHE HE% A 16 THR HA 1.0 . 3.98 220 211 A 30 VAL HA A 27 ASN HA 1.0 . 4.29 221 212 A 26 THR HA A 55 ALA HA 1.0 . 3.30 222 213 A 55 ALA HA A 26 THR HG2% 1.0 . 5.06 223 214 A 27 ASN HD22 A 60 CYS HA 1.0 . 4.13 224 215 A 61 LEU H A 60 CYS HA 1.0 . 2.64 225 216 A 10 ASN H A 9 PRO HA 1.0 . 2.63 226 217 A 60 CYS HA A 27 ASN HD21 1.0 . 3.94 227 218 A 27 ASN HB2 A 60 CYS HA 1.0 . 3.76 228 219 A 9 PRO HA A 13 CYS HB3 1.0 . 3.84 229 220 A 8 ASP H A 9 PRO HA 1.0 . 4.63 230 221 A 41 ASP H A 38 CYS HA 1.0 . 4.05 231 222 A 31 ASN HD21 A 24 TYR HA 1.0 . 3.56 232 223 A 31 ASN HD22 A 24 TYR HA 1.0 . 3.40 233 224 A 29 ILE H A 24 TYR HA 1.0 . 4.24 234 225 A 52 ARG H A 50 ALA HA 1.0 . 4.74 235 226 A 54 GLN H A 50 ALA HA 1.0 . 4.44 236 227 A 53 ALA H A 50 ALA HA 1.0 . 3.68 237 228 A 48 THR H A 48 THR HB 1.0 . 2.73 238 229 A 49 GLY H A 48 THR HB 1.0 . 3.48 239 230 A 40 ASN HD21 A 48 THR HB 1.0 . 3.64 240 231 A 33 SER H A 33 SER HB3 1.0 . 3.81 241 232 A 34 CYS H A 33 SER HB3 1.0 . 4.58 242 233 A 11 THR HB A 11 THR H 1.0 . 3.73 243 234 A 28 TYR HB3 A 23 ASP HA 1.0 . 3.55 244 235 A 56 PHE H A 53 ALA HA 1.0 . 3.58 245 236 A 57 GLY H A 53 ALA HA 1.0 . 3.65 246 237 A 54 GLN HA A 54 GLN HE21 1.0 . 4.69 247 238 A 47 GLY H A 6 HIS HB3 1.0 . 3.51 248 239 A 6 HIS HB3 A 43 PHE HD% 1.0 . 3.71 249 240 A 6 HIS HB3 A 6 HIS H 1.0 . 4.06 250 241 A 48 THR H A 45 GLU HA 1.0 . 3.86 251 242 A 52 ARG HA A 51 CYS H 1.0 . 5.08 252 243 A 52 ARG HA A 56 PHE H 1.0 . 4.59 253 244 A 52 ARG HA A 63 TRP HE3 1.0 . 3.88 254 245 A 50 ALA H A 49 GLY HA3 1.0 . 3.50 255 246 A 55 ALA H A 26 THR HA 1.0 . 4.08 256 247 A 34 CYS H A 33 SER HB2 1.0 . 4.01 257 248 A 60 CYS HB2 A 59 SER HB3 1.0 . 4.47 258 249 A 13 CYS H A 11 THR HA 1.0 . 4.17 259 250 A 22 TRP H A 19 GLN HA 1.0 . 3.80 260 251 A 58 ASN HD21 A 28 TYR HA 1.0 . 4.25 261 252 A 57 GLY H A 57 GLY HA2 1.0 . 2.88 262 253 A 35 GLY H A 63 TRP HA 1.0 . 4.35 263 254 A 63 TRP HE3 A 56 PHE HA 1.0 . 3.84 264 255 A 63 TRP HA A 63 TRP HBx 1.0 . 2.65 265 255 A 63 TRP HBy A 63 TRP HA 1.0 . 2.65 266 256 A 55 ALA H A 26 THR HB 1.0 . 4.46 267 257 A 36 GLU H A 63 TRP HA 1.0 . 3.51 268 258 A 26 THR HB A 58 ASN HD21 1.0 . 4.19 269 259 A 52 ARG H A 49 GLY HA2 1.0 . 4.38 270 260 A 58 ASN HD22 A 26 THR HB 1.0 . 3.59 271 261 A 1 THR HA A 1 THR HB 1.0 . 2.69 272 262 A 51 CYS H A 48 THR HA 1.0 . 3.82 273 263 A 46 THR H A 46 THR HB 1.0 . 3.17 274 264 A 50 ALA H A 48 THR HA 1.0 . 4.62 275 265 A 46 THR HB A 46 THR HA 1.0 . 3.01 276 266 A 47 GLY H A 46 THR HB 1.0 . 3.29 277 267 A 46 THR HB A 6 HIS HE1 1.0 . 3.52 278 268 A 50 ALA H A 47 GLY HA3 1.0 . 4.22 279 269 A 6 HIS HB3 A 47 GLY HA3 1.0 . 4.36 280 270 A 30 VAL H A 29 ILE HA 1.0 . 2.53 281 271 A 41 ASP H A 37 ILE HA 1.0 . 4.47 282 272 A 40 ASN H A 37 ILE HA 1.0 . 3.77 283 273 A 31 ASN H A 30 VAL HA 1.0 . 2.51 284 274 A 31 ASN HD21 A 30 VAL HA 1.0 . 4.01 285 275 A 32 SER H A 30 VAL HA 1.0 . 4.59 286 276 A 30 VAL HA A 27 ASN HD21 1.0 . 4.13 287 277 A 56 PHE HD% A 57 GLY HA3 1.0 . 4.61 288 278 A 39 CYS H A 38 CYS HB3 1.0 . 2.92 289 279 A 38 CYS H A 38 CYS HB3 1.0 . 3.01 290 280 A 35 GLY H A 38 CYS HB3 1.0 . 3.71 291 281 A 31 ASN HD21 A 34 CYS HB3 1.0 . 4.46 292 282 A 34 CYS H A 34 CYS HB3 1.0 . 2.98 293 283 A 60 CYS HB2 A 27 ASN HB2 1.0 . 3.81 294 284 A 45 GLU H A 44 ASP HB3 1.0 . 3.07 295 285 A 27 ASN HD22 A 27 ASN HB2 1.0 . 3.18 296 286 A 27 ASN HB2 A 27 ASN HD21 1.0 . 3.72 297 287 A 44 ASP H A 44 ASP HB3 1.0 . 3.98 298 288 A 4 GLU H A 3 PRO HD3 1.0 . 3.76 299 289 A 18 SER H A 18 SER HBx 1.0 . 3.22 300 289 A 18 SER H A 18 SER HBy 1.0 . 3.22 301 290 A 12 ASN H A 10 ASN HB3 1.0 . 4.28 302 291 A 46 THR H A 47 GLY HA2 1.0 . 5.22 303 292 A 11 THR H A 10 ASN HB3 1.0 . 3.11 304 293 A 43 PHE HD% A 47 GLY HA2 1.0 . 3.80 305 294 A 10 ASN HD22 A 10 ASN HB3 1.0 . 3.61 306 295 A 10 ASN HB3 A 11 THR HG2% 1.0 . 5.26 307 296 A 52 ARG H A 51 CYS HA 1.0 . 3.52 308 297 A 51 CYS H A 51 CYS HA 1.0 . 2.74 309 298 A 22 TRP H A 22 TRP HBx 1.0 . 2.84 310 298 A 22 TRP H A 22 TRP HBy 1.0 . 2.84 311 299 A 16 THR H A 15 TYR HB3 1.0 . 3.58 312 300 A 21 ALA H A 15 TYR HB3 1.0 . 3.66 313 301 A 17 ASN H A 15 TYR HB3 1.0 . 3.53 314 302 A 15 TYR HB3 A 21 ALA HA 1.0 . 4.29 315 303 A 20 ASP HB3 A 15 TYR HB3 1.0 . 3.72 316 304 A 35 GLY H A 38 CYS HB2 1.0 . 4.46 317 305 A 39 CYS H A 38 CYS HB2 1.0 . 3.85 318 306 A 38 CYS H A 38 CYS HB2 1.0 . 2.86 319 307 A 58 ASN HD22 A 58 ASN HB3 1.0 . 3.36 320 308 A 44 ASP H A 43 PHE HB3 1.0 . 3.95 321 309 A 43 PHE H A 43 PHE HB3 1.0 . 3.32 322 310 A 58 ASN H A 58 ASN HB3 1.0 . 3.33 323 311 A 13 CYS H A 13 CYS HB3 1.0 . 3.12 324 312 A 58 ASN HD21 A 58 ASN HB3 1.0 . 4.02 325 313 A 13 CYS HB3 A 9 PRO HB2 1.0 . 3.51 326 314 A 13 CYS HB3 A 9 PRO HB3 1.0 . 3.57 327 315 A 39 CYS HB3 A 39 CYS H 1.0 . 3.47 328 316 A 39 CYS HB3 A 40 ASN HD21 1.0 . 4.45 329 317 A 58 ASN HB2 A 54 GLN HGx 1.0 . 4.58 330 317 A 58 ASN HB2 A 54 GLN HGy 1.0 . 4.58 331 318 A 35 GLY H A 35 GLY HA2 1.0 . 2.95 332 319 A 36 GLU H A 35 GLY HA2 1.0 . 3.11 333 320 A 55 ALA HB% A 35 GLY HA2 1.0 . 3.51 334 321 A 34 CYS HB2 A 31 ASN HD22 1.0 . 4.90 335 322 A 26 THR H A 25 CYS HB3 1.0 . 3.67 336 323 A 25 CYS H A 25 CYS HB3 1.0 . 3.19 337 324 A 40 ASN HD22 A 52 ARG HDx 1.0 . 4.98 338 324 A 40 ASN HD22 A 52 ARG HDy 1.0 . 4.98 339 325 A 44 ASP H A 43 PHE HB2 1.0 . 3.26 340 326 A 28 TYR H A 28 TYR HB3 1.0 . 3.16 341 327 A 28 TYR HB3 A 58 ASN HD21 1.0 . 4.10 342 328 A 42 CYS H A 42 CYS HB3 1.0 . 3.25 343 329 A 40 ASN HD21 A 40 ASN HB3 1.0 . 3.44 344 330 A 41 ASP H A 40 ASN HB3 1.0 . 3.45 345 331 A 40 ASN HD22 A 40 ASN HB3 1.0 . 4.13 346 332 A 40 ASN H A 40 ASN HB3 1.0 . 2.86 347 333 A 31 ASN H A 31 ASN HB3 1.0 . 4.10 348 334 A 31 ASN HD21 A 31 ASN HB3 1.0 . 3.33 349 335 A 10 ASN H A 10 ASN HB2 1.0 . 3.87 350 336 A 32 SER H A 32 SER HBx 1.0 . 3.90 351 336 A 32 SER H A 32 SER HBy 1.0 . 3.90 352 337 A 11 THR H A 10 ASN HB2 1.0 . 3.63 353 338 A 39 CYS H A 39 CYS HB2 1.0 . 3.02 354 339 A 10 ASN HB2 A 10 ASN HD22 1.0 . 3.26 355 340 A 45 GLU H A 44 ASP HB2 1.0 . 3.68 356 341 A 24 TYR H A 24 TYR HB3 1.0 . 3.44 357 342 A 25 CYS H A 24 TYR HB3 1.0 . 3.91 358 343 A 24 TYR HB3 A 31 ASN HD22 1.0 . 3.96 359 344 A 56 PHE H A 63 TRP HBx 1.0 . 3.94 360 344 A 56 PHE H A 63 TRP HBy 1.0 . 3.94 361 345 A 63 TRP H A 63 TRP HBx 1.0 . 3.23 362 345 A 63 TRP H A 63 TRP HBy 1.0 . 3.23 363 346 A 56 PHE HA A 63 TRP HBx 1.0 . 2.49 364 346 A 63 TRP HBy A 56 PHE HA 1.0 . 2.49 365 347 A 47 GLY H A 6 HIS HB2 1.0 . 4.54 366 348 A 42 CYS H A 41 ASP HB3 1.0 . 3.96 367 349 A 41 ASP H A 41 ASP HB3 1.0 . 2.98 368 350 A 5 GLU H A 6 HIS HB2 1.0 . 4.76 369 351 A 40 ASN H A 40 ASN HB2 1.0 . 3.34 370 352 A 56 PHE H A 56 PHE HB2 1.0 . 2.98 371 353 A 57 GLY H A 56 PHE HB2 1.0 . 3.44 372 354 A 28 TYR H A 28 TYR HB2 1.0 . 3.19 373 355 A 13 CYS HB2 A 13 CYS H 1.0 . 3.16 374 356 A 13 CYS HB2 A 9 PRO HB3 1.0 . 4.19 375 357 A 23 ASP H A 23 ASP HB3 1.0 . 2.98 376 358 A 24 TYR H A 23 ASP HB3 1.0 . 3.60 377 359 A 56 PHE HB2 A 52 ARG HB3 1.0 . 3.21 378 360 A 23 ASP HB3 A 29 ILE HG12 1.0 . 4.02 379 361 A 18 SER H A 17 ASN HB3 1.0 . 3.33 380 362 A 62 ASN HB2 A 62 ASN HD21 1.0 . 4.05 381 363 A 62 ASN HB2 A 63 TRP HD1 1.0 . 3.67 382 364 A 43 PHE H A 42 CYS HB2 1.0 . 4.66 383 365 A 4 GLU H A 2 ASP HB2 1.0 . 4.41 384 366 A 17 ASN H A 18 SER HA 1.0 . 4.80 385 367 A 42 CYS HB2 A 21 ALA HB% 1.0 . 3.20 386 368 A 22 TRP H A 18 SER HA 1.0 . 4.15 387 369 A 20 ASP H A 20 ASP HB3 1.0 . 3.48 388 370 A 20 ASP H A 20 ASP HB2 1.0 . 3.14 389 371 A 21 ALA H A 20 ASP HB2 1.0 . 3.39 390 372 A 17 ASN H A 20 ASP HB2 1.0 . 4.25 391 373 A 17 ASN HD21 A 20 ASP HB2 1.0 . 4.23 392 374 A 60 CYS HB2 A 60 CYS H 1.0 . 3.03 393 375 A 60 CYS HB2 A 27 ASN HD22 1.0 . 4.52 394 376 A 60 CYS HB2 A 34 CYS HB2 1.0 . 4.16 395 377 A 41 ASP HB2 A 42 CYS H 1.0 . 4.70 396 378 A 41 ASP HB2 A 10 ASN HD21 1.0 . 4.54 397 379 A 41 ASP HB2 A 13 CYS H 1.0 . 4.02 398 380 A 16 THR H A 15 TYR HB2 1.0 . 4.44 399 381 A 17 ASN H A 15 TYR HB2 1.0 . 4.49 400 382 A 12 ASN H A 12 ASN HB2 1.0 . 3.10 401 383 A 13 CYS H A 12 ASN HB2 1.0 . 4.32 402 384 A 15 TYR H A 15 TYR HB2 1.0 . 3.46 403 385 A 52 ARG HE A 52 ARG HG3 1.0 . 3.60 404 386 A 52 ARG H A 52 ARG HG3 1.0 . 3.86 405 387 A 52 ARG HA A 52 ARG HG3 1.0 . 3.59 406 388 A 52 ARG HG3 A 49 GLY HA2 1.0 . 4.97 407 389 A 52 ARG HG3 A 63 TRP HZ3 1.0 . 4.86 408 390 A 44 ASP H A 8 ASP HBx 1.0 . 3.82 409 390 A 44 ASP H A 8 ASP HBy 1.0 . 3.82 410 391 A 19 GLN HE22 A 19 GLN HG3 1.0 . 3.22 411 392 A 19 GLN HG3 A 19 GLN HE21 1.0 . 4.07 412 393 A 22 TRP HE1 A 54 GLN HGx 1.0 . 3.88 413 393 A 54 GLN HGy A 22 TRP HE1 1.0 . 3.88 414 394 A 24 TYR H A 23 ASP HB2 1.0 . 3.97 415 395 A 51 CYS H A 51 CYS HBx 1.0 . 3.00 416 395 A 51 CYS H A 51 CYS HBy 1.0 . 3.00 417 396 A 54 GLN HE22 A 54 GLN HGx 1.0 . 3.73 418 396 A 54 GLN HE22 A 54 GLN HGy 1.0 . 3.73 419 397 A 54 GLN HE21 A 54 GLN HGx 1.0 . 4.13 420 397 A 54 GLN HE21 A 54 GLN HGy 1.0 . 4.13 421 398 A 58 ASN HD22 A 54 GLN HGx 1.0 . 3.87 422 398 A 58 ASN HD22 A 54 GLN HGy 1.0 . 3.87 423 399 A 58 ASN HD21 A 54 GLN HGx 1.0 . 3.57 424 399 A 58 ASN HD21 A 54 GLN HGy 1.0 . 3.57 425 400 A 23 ASP H A 23 ASP HB2 1.0 . 3.56 426 401 A 52 ARG HE A 52 ARG HB3 1.0 . 4.04 427 402 A 4 GLU H A 4 GLU HGx 1.0 . 4.39 428 402 A 4 GLU H A 4 GLU HGy 1.0 . 4.39 429 403 A 56 PHE H A 56 PHE HB3 1.0 . 3.02 430 404 A 57 GLY H A 56 PHE HB3 1.0 . 3.88 431 405 A 63 TRP HE3 A 56 PHE HB3 1.0 . 4.31 432 406 A 25 CYS H A 24 TYR HB2 1.0 . 3.56 433 407 A 24 TYR H A 24 TYR HB2 1.0 . 3.12 434 408 A 45 GLU H A 45 GLU HB2 1.0 . 3.26 435 409 A 46 THR H A 45 GLU HB2 1.0 . 3.96 436 410 A 45 GLU HB2 A 45 GLU HGx 1.0 . 2.88 437 410 A 45 GLU HGy A 45 GLU HB2 1.0 . 2.88 438 411 A 52 ARG HE A 36 GLU HB3 1.0 . 3.98 439 412 A 45 GLU H A 45 GLU HB3 1.0 . 3.47 440 413 A 36 GLU H A 36 GLU HB3 1.0 . 2.97 441 414 A 37 ILE H A 36 GLU HB3 1.0 . 3.90 442 415 A 19 GLN H A 19 GLN HB3 1.0 . 3.03 443 416 A 5 GLU H A 5 GLU HG3 1.0 . 4.00 444 417 A 55 ALA H A 54 GLN HB3 1.0 . 4.21 445 418 A 54 GLN H A 54 GLN HB3 1.0 . 3.16 446 419 A 20 ASP H A 19 GLN HB2 1.0 . 3.30 447 420 A 19 GLN H A 19 GLN HB2 1.0 . 3.07 448 421 A 14 ASP H A 14 ASP HB3 1.0 . 3.90 449 422 A 4 GLU H A 4 GLU HB2 1.0 . 3.18 450 423 A 13 CYS H A 9 PRO HB2 1.0 . 4.54 451 424 A 27 ASN H A 27 ASN HB3 1.0 . 3.80 452 425 A 27 ASN HD22 A 27 ASN HB3 1.0 . 3.64 453 426 A 60 CYS HB2 A 27 ASN HB3 1.0 . 3.41 454 427 A 4 GLU H A 4 GLU HB3 1.0 . 3.26 455 428 A 5 GLU H A 4 GLU HB3 1.0 . 3.54 456 429 A 7 PHE HE% A 9 PRO HB3 1.0 . 5.01 457 430 A 52 ARG HE A 52 ARG HB2 1.0 . 4.22 458 431 A 52 ARG H A 52 ARG HB2 1.0 . 3.21 459 432 A 53 ALA H A 52 ARG HB2 1.0 . 3.51 460 433 A 63 TRP HE3 A 52 ARG HB2 1.0 . 4.15 461 434 A 37 ILE HB A 38 CYS HB2 1.0 . 4.37 462 435 A 37 ILE HB A 37 ILE H 1.0 . 2.74 463 436 A 38 CYS H A 37 ILE HB 1.0 . 3.04 464 437 A 5 GLU H A 5 GLU HB3 1.0 . 3.16 465 438 A 6 HIS HD2 A 5 GLU HB3 1.0 . 3.97 466 439 A 36 GLU H A 36 GLU HB2 1.0 . 3.58 467 440 A 55 ALA H A 54 GLN HB2 1.0 . 3.49 468 441 A 51 CYS HA A 54 GLN HB2 1.0 . 4.21 469 442 A 26 THR HG2% A 54 GLN HB2 1.0 . 3.57 470 443 A 5 GLU H A 5 GLU HB2 1.0 . 3.63 471 444 A 6 HIS H A 5 GLU HB2 1.0 . 4.58 472 445 A 5 GLU HB2 A 5 GLU HA 1.0 . 3.04 473 446 A 14 ASP H A 14 ASP HB2 1.0 . 3.19 474 447 A 61 LEU H A 61 LEU HBx 1.0 . 2.78 475 447 A 61 LEU H A 61 LEU HBy 1.0 . 2.78 476 448 A 15 TYR H A 14 ASP HB2 1.0 . 4.38 477 449 A 14 ASP HB2 A 15 TYR HE% 1.0 . 4.56 478 450 A 62 ASN H A 61 LEU HBx 1.0 . 3.37 479 450 A 62 ASN H A 61 LEU HBy 1.0 . 3.37 480 451 A 55 ALA HB% A 55 ALA H 1.0 . 3.00 481 452 A 55 ALA HB% A 56 PHE H 1.0 . 3.42 482 453 A 55 ALA HB% A 63 TRP H 1.0 . 5.12 483 454 A 55 ALA HB% A 52 ARG H 1.0 . 5.10 484 455 A 36 GLU H A 55 ALA HB% 1.0 . 4.31 485 456 A 52 ARG H A 50 ALA HB% 1.0 . 5.02 486 457 A 51 CYS H A 50 ALA HB% 1.0 . 3.43 487 458 A 50 ALA H A 50 ALA HB% 1.0 . 3.01 488 459 A 37 ILE H A 37 ILE HG12 1.0 . 3.21 489 460 A 57 GLY H A 53 ALA HB% 1.0 . 5.27 490 461 A 52 ARG H A 52 ARG HG2 1.0 . 3.76 491 462 A 54 GLN H A 53 ALA HB% 1.0 . 3.52 492 463 A 53 ALA H A 53 ALA HB% 1.0 . 2.88 493 464 A 49 GLY HA2 A 52 ARG HG2 1.0 . 4.85 494 465 A 52 ARG HE A 52 ARG HG2 1.0 . 3.53 495 466 A 39 CYS HB3 A 52 ARG HG2 1.0 . 4.58 496 467 A 25 CYS H A 21 ALA HB% 1.0 . 5.01 497 468 A 22 TRP H A 21 ALA HB% 1.0 . 3.39 498 469 A 20 ASP H A 21 ALA HB% 1.0 . 4.91 499 470 A 21 ALA H A 21 ALA HB% 1.0 . 2.98 500 471 A 43 PHE HZ A 21 ALA HB% 1.0 . 3.69 501 472 A 15 TYR H A 21 ALA HB% 1.0 . 5.01 502 473 A 7 PHE HE% A 9 PRO HG2 1.0 . 3.17 503 474 A 4 GLU H A 3 PRO HG3 1.0 . 4.51 504 475 A 48 THR H A 48 THR HG2% 1.0 . 3.77 505 476 A 52 ARG H A 48 THR HG2% 1.0 . 5.11 506 477 A 40 ASN H A 48 THR HG2% 1.0 . 4.16 507 478 A 17 ASN H A 16 THR HG2% 1.0 . 4.80 508 479 A 48 THR HG2% A 49 GLY HA3 1.0 . 4.71 509 480 A 48 THR HG2% A 52 ARG HDx 1.0 . 4.22 510 480 A 48 THR HG2% A 52 ARG HDy 1.0 . 4.22 511 481 A 48 THR HG2% A 40 ASN HB2 1.0 . 5.10 512 482 A 16 THR H A 16 THR HG2% 1.0 . 3.54 513 483 A 12 ASN H A 11 THR HG2% 1.0 . 4.67 514 484 A 11 THR H A 11 THR HG2% 1.0 . 3.62 515 485 A 37 ILE H A 37 ILE HG13 1.0 . 3.49 516 486 A 8 ASP H A 9 PRO HD3 1.0 . 3.85 517 487 A 61 LEU H A 61 LEU HD2% 1.0 . 4.95 518 488 A 46 THR H A 46 THR HG2% 1.0 . 4.21 519 489 A 46 THR HG2% A 6 HIS HD2 1.0 . 4.60 520 490 A 41 ASP H A 37 ILE HG2% 1.0 . 4.66 521 491 A 37 ILE H A 37 ILE HG2% 1.0 . 4.17 522 492 A 61 LEU HD1% A 62 ASN HD21 1.0 . 5.17 523 493 A 30 VAL H A 30 VAL HG1% 1.0 . 2.98 524 494 A 38 CYS H A 37 ILE HG2% 1.0 . 3.97 525 495 A 41 ASP HB3 A 37 ILE HG2% 1.0 . 5.02 526 496 A 30 VAL HG1% A 29 ILE HG2% 1.0 . 5.47 527 497 A 31 ASN HD21 A 30 VAL HG1% 1.0 . 5.35 528 498 A 27 ASN HD22 A 30 VAL HG1% 1.0 . 4.25 529 499 A 27 ASN HD21 A 30 VAL HG1% 1.0 . 3.71 530 500 A 31 ASN H A 30 VAL HG1% 1.0 . 3.49 531 501 A 22 TRP HH2 A 1 THR HG2% 1.0 . 5.13 532 502 A 31 ASN HA A 30 VAL HG1% 1.0 . 5.34 533 503 A 37 ILE H A 37 ILE HD1% 1.0 . 4.27 534 504 A 29 ILE HG2% A 29 ILE HG13 1.0 . 3.15 535 505 A 3 PRO HG2 A 22 TRP HBx 1.0 . 4.90 536 505 A 22 TRP HBy A 3 PRO HG2 1.0 . 4.90 537 506 A 31 ASN HD21 A 29 ILE HB 1.0 . 4.54 538 507 A 29 ILE H A 29 ILE HB 1.0 . 3.30 539 508 A 31 ASN HD21 A 29 ILE HG2% 1.0 . 4.80 540 509 A 30 VAL H A 29 ILE HG2% 1.0 . 3.66 541 510 A 29 ILE HG12 A 29 ILE HB 1.0 . 2.99 542 511 A 26 THR HG2% A 22 TRP HE1 1.0 . 4.40 543 512 A 25 CYS H A 26 THR HG2% 1.0 . 4.61 544 513 A 26 THR H A 26 THR HG2% 1.0 . 3.37 545 514 A 58 ASN HD22 A 26 THR HG2% 1.0 . 5.09 546 515 A 23 ASP H A 22 TRP HBx 1.0 . 3.41 547 515 A 23 ASP H A 22 TRP HBy 1.0 . 3.41 548 516 A 25 CYS H A 21 ALA HA 1.0 . 3.98 549 517 A 52 ARG H A 48 THR HA 1.0 . 4.06 550 518 A 52 ARG H A 52 ARG HDx 1.0 . 4.59 551 518 A 52 ARG H A 52 ARG HDy 1.0 . 4.59 552 519 A 52 ARG H A 52 ARG HB3 1.0 . 3.56 553 520 A 24 TYR H A 21 ALA HA 1.0 . 4.16 554 521 A 55 ALA H A 26 THR HG2% 1.0 . 4.60 555 522 A 56 PHE H A 56 PHE HA 1.0 . 2.92 556 523 A 46 THR HG2% A 6 HIS HE1 1.0 . 3.32 557 524 A 52 ARG HA A 55 ALA H 1.0 . 4.13 558 525 A 43 PHE H A 42 CYS HB3 1.0 . 3.77 559 526 A 54 GLN H A 26 THR HG2% 1.0 . 4.70 560 527 A 54 GLN H A 54 GLN HB2 1.0 . 3.63 561 528 A 54 GLN H A 54 GLN HGx 1.0 . 4.06 562 528 A 54 GLN H A 54 GLN HGy 1.0 . 4.06 563 529 A 24 TYR H A 26 THR H 1.0 . 4.37 564 530 A 54 GLN H A 53 ALA H 1.0 . 4.28 565 531 A 21 ALA H A 15 TYR HB2 1.0 . 4.06 566 532 A 7 PHE H A 6 HIS H 1.0 . 4.04 567 533 A 56 PHE HD% A 63 TRP HD1 1.0 . 3.43 568 534 A 63 TRP HD1 A 63 TRP HBx 1.0 . 3.27 569 534 A 63 TRP HD1 A 63 TRP HBy 1.0 . 3.27 570 535 A 58 ASN H A 59 SER H 1.0 . 4.17 571 536 A 63 TRP HE3 A 63 TRP HBx 1.0 . 3.49 572 536 A 63 TRP HE3 A 63 TRP HBy 1.0 . 3.49 573 537 A 63 TRP HE3 A 52 ARG HB3 1.0 . 4.17 574 538 A 5 GLU H A 4 GLU HGx 1.0 . 3.95 575 538 A 5 GLU H A 4 GLU HGy 1.0 . 3.95 576 539 A 43 PHE H A 43 PHE HD% 1.0 . 3.78 577 540 A 43 PHE HD% A 43 PHE HA 1.0 . 3.38 578 541 A 43 PHE HD% A 22 TRP HA 1.0 . 4.60 579 542 A 43 PHE HD% A 47 GLY HA3 1.0 . 4.58 580 543 A 43 PHE HD% A 21 ALA HB% 1.0 . 4.45 581 544 A 59 SER H A 58 ASN HD21 1.0 . 4.30 582 545 A 59 SER H A 59 SER HB2 1.0 . 3.64 583 546 A 56 PHE HD% A 63 TRP HE3 1.0 . 4.52 584 547 A 55 ALA HB% A 63 TRP HE3 1.0 . 4.67 585 548 A 43 PHE HZ A 22 TRP HA 1.0 . 3.50 586 549 A 43 PHE HZ A 22 TRP HBx 1.0 . 3.53 587 549 A 43 PHE HZ A 22 TRP HBy 1.0 . 3.53 588 550 A 43 PHE HZ A 3 PRO HB3 1.0 . 4.56 589 551 A 43 PHE HE% A 22 TRP HBx 1.0 . 4.19 590 551 A 43 PHE HE% A 22 TRP HBy 1.0 . 4.19 591 552 A 43 PHE HE% A 22 TRP HE3 1.0 . 3.57 592 553 A 43 PHE HE% A 25 CYS HB2 1.0 . 4.48 593 554 A 43 PHE HE% A 3 PRO HB2 1.0 . 4.14 594 555 A 43 PHE HE% A 22 TRP HA 1.0 . 3.54 595 556 A 43 PHE HE% A 3 PRO HA 1.0 . 3.68 596 557 A 43 PHE HE% A 25 CYS HB3 1.0 . 3.88 597 558 A 43 PHE HE% A 42 CYS HB3 1.0 . 4.54 598 559 A 43 PHE HE% A 3 PRO HB3 1.0 . 3.86 599 560 A 43 PHE HE% A 21 ALA HB% 1.0 . 3.64 600 561 A 6 HIS HD2 A 6 HIS HA 1.0 . 4.13 601 562 A 6 HIS HD2 A 5 GLU HA 1.0 . 4.47 602 563 A 6 HIS HD2 A 47 GLY HA3 1.0 . 4.28 603 564 A 6 HIS HD2 A 6 HIS HB2 1.0 . 3.05 604 565 A 6 HIS HD2 A 2 ASP HB2 1.0 . 4.42 605 566 A 6 HIS HD2 A 1 THR HG2% 1.0 . 3.46 606 567 A 6 HIS HD2 A 5 GLU HG3 1.0 . 4.69 607 568 A 51 CYS HA A 22 TRP HZ2 1.0 . 4.56 608 569 A 54 GLN HB3 A 22 TRP HZ2 1.0 . 3.76 609 570 A 50 ALA HB% A 22 TRP HZ2 1.0 . 4.05 610 571 A 56 PHE HE% A 63 TRP HZ2 1.0 . 4.37 611 572 A 54 GLN HB2 A 22 TRP HZ2 1.0 . 4.29 612 573 A 22 TRP HZ2 A 54 GLN HGx 1.0 . 3.18 613 573 A 54 GLN HGy A 22 TRP HZ2 1.0 . 3.18 614 574 A 26 THR HG2% A 22 TRP HZ2 1.0 . 4.13 615 575 A 22 TRP HD1 A 22 TRP HA 1.0 . 4.35 616 576 A 22 TRP HD1 A 23 ASP HA 1.0 . 3.43 617 577 A 22 TRP HD1 A 19 GLN HA 1.0 . 4.27 618 578 A 22 TRP HD1 A 26 THR HG2% 1.0 . 4.13 619 579 A 22 TRP HD1 A 22 TRP HBx 1.0 . 2.86 620 579 A 22 TRP HD1 A 22 TRP HBy 1.0 . 2.86 621 580 A 24 TYR HD% A 20 ASP HA 1.0 . 3.14 622 581 A 24 TYR HD% A 23 ASP HB3 1.0 . 3.74 623 582 A 15 TYR HD% A 15 TYR HA 1.0 . 2.98 624 583 A 15 TYR HD% A 21 ALA HA 1.0 . 3.16 625 584 A 15 TYR HD% A 21 ALA HB% 1.0 . 3.39 626 585 A 15 TYR HD% A 14 ASP HB2 1.0 . 4.61 627 586 A 7 PHE HE% A 9 PRO HD3 1.0 . 4.79 628 587 A 24 TYR HD% A 29 ILE HB 1.0 . 4.23 629 588 A 24 TYR HD% A 29 ILE HG2% 1.0 . 3.92 630 589 A 24 TYR HD% A 29 ILE HG12 1.0 . 3.93 631 590 A 9 PRO HD2 A 7 PHE HD% 1.0 . 4.76 632 591 A 7 PHE HD% A 7 PHE HA 1.0 . 3.42 633 592 A 42 CYS HB2 A 7 PHE HD% 1.0 . 4.12 634 593 A 7 PHE HD% A 9 PRO HG3 1.0 . 4.58 635 594 A 7 PHE HD% A 9 PRO HG2 1.0 . 3.47 636 595 A 7 PHE HD% A 9 PRO HD3 1.0 . 4.55 637 596 A 7 PHE HD% A 9 PRO HB2 1.0 . 4.36 638 597 A 58 ASN HD22 A 59 SER H 1.0 . 3.80 639 598 A 29 ILE H A 27 ASN HA 1.0 . 4.25 640 599 A 54 GLN HE21 A 28 TYR HD% 1.0 . 4.37 641 600 A 28 TYR HD% A 29 ILE HD1% 1.0 . 3.69 642 601 A 29 ILE HG12 A 28 TYR HD% 1.0 . 3.90 643 602 A 23 ASP HB2 A 28 TYR HD% 1.0 . 3.57 644 603 A 23 ASP HA A 28 TYR HD% 1.0 . 3.63 645 604 A 28 TYR HA A 28 TYR HD% 1.0 . 3.13 646 605 A 29 ILE HG13 A 28 TYR HD% 1.0 . 3.84 647 606 A 54 GLN HE21 A 28 TYR HE% 1.0 . 4.60 648 607 A 29 ILE HD1% A 28 TYR HE% 1.0 . 4.52 649 608 A 29 ILE HG13 A 28 TYR HE% 1.0 . 4.72 650 609 A 22 TRP HE3 A 51 CYS HBx 1.0 . 3.87 651 609 A 51 CYS HBy A 22 TRP HE3 1.0 . 3.87 652 610 A 3 PRO HB3 A 22 TRP HE3 1.0 . 3.75 653 611 A 22 TRP H A 22 TRP HE3 1.0 . 5.01 654 612 A 50 ALA HB% A 22 TRP HE3 1.0 . 4.78 655 613 A 43 PHE HZ A 22 TRP HE3 1.0 . 3.58 656 614 A 22 TRP HA A 22 TRP HE3 1.0 . 3.30 657 615 A 22 TRP HE3 A 22 TRP HBx 1.0 . 3.41 658 615 A 22 TRP HBy A 22 TRP HE3 1.0 . 3.41 659 616 A 26 THR HG2% A 22 TRP HE3 1.0 . 4.17 660 617 A 22 TRP HE3 A 3 PRO HB2 1.0 . 4.35 661 618 A 24 TYR H A 24 TYR HE% 1.0 . 4.56 662 619 A 20 ASP HA A 24 TYR HE% 1.0 . 3.88 663 620 A 31 ASN HB3 A 24 TYR HE% 1.0 . 4.09 664 621 A 29 ILE HD1% A 24 TYR HE% 1.0 . 5.00 665 622 A 29 ILE HB A 24 TYR HE% 1.0 . 4.01 666 623 A 29 ILE HG2% A 24 TYR HE% 1.0 . 3.16 667 624 A 29 ILE HG12 A 24 TYR HE% 1.0 . 3.36 668 625 A 31 ASN HB2 A 24 TYR HE% 1.0 . 4.13 669 626 A 15 TYR HE% A 24 TYR HE% 1.0 . 4.61 670 627 A 20 ASP HB3 A 24 TYR HE% 1.0 . 4.10 671 628 A 22 TRP HH2 A 50 ALA HA 1.0 . 4.64 672 629 A 22 TRP HH2 A 54 GLN HB3 1.0 . 4.34 673 630 A 22 TRP HH2 A 51 CYS HBx 1.0 . 3.74 674 630 A 22 TRP HH2 A 51 CYS HBy 1.0 . 3.74 675 631 A 22 TRP HH2 A 50 ALA HB% 1.0 . 3.20 676 632 A 22 TRP HH2 A 26 THR HG2% 1.0 . 4.50 677 633 A 24 TYR HB2 A 15 TYR HE% 1.0 . 4.40 678 634 A 15 TYR HA A 15 TYR HE% 1.0 . 4.44 679 635 A 56 PHE HD% A 53 ALA HA 1.0 . 4.25 680 636 A 56 PHE HD% A 56 PHE HA 1.0 . 3.33 681 637 A 56 PHE HD% A 53 ALA HB% 1.0 . 4.84 682 638 A 22 TRP HZ3 A 51 CYS HBx 1.0 . 3.37 683 638 A 22 TRP HZ3 A 51 CYS HBy 1.0 . 3.37 684 639 A 22 TRP HZ3 A 26 THR HG2% 1.0 . 4.73 685 640 A 22 TRP HZ3 A 50 ALA HB% 1.0 . 3.93 686 641 A 43 PHE HA A 7 PHE HA 1.0 . 3.65 687 642 A 10 ASN HA A 11 THR HG2% 1.0 . 4.81 688 643 A 10 ASN HB2 A 10 ASN HA 1.0 . 2.92 689 644 A 15 TYR HA A 16 THR HG2% 1.0 . 4.18 690 645 A 41 ASP HA A 41 ASP HB3 1.0 . 3.03 691 646 A 25 CYS HB2 A 25 CYS HA 1.0 . 2.59 692 647 A 7 PHE HE% A 17 ASN HA 1.0 . 3.18 693 648 A 17 ASN HD21 A 17 ASN HA 1.0 . 3.75 694 649 A 7 PHE HE% A 16 THR HB 1.0 . 4.28 695 650 A 7 PHE HD% A 8 ASP HA 1.0 . 4.23 696 651 A 42 CYS HA A 7 PHE HE% 1.0 . 4.19 697 652 A 39 CYS HA A 43 PHE HB3 1.0 . 3.27 698 653 A 34 CYS HB2 A 27 ASN HA 1.0 . 3.93 699 654 A 13 CYS HB2 A 42 CYS HA 1.0 . 3.18 700 655 A 16 THR HB A 16 THR HA 1.0 . 2.78 701 656 A 16 THR HA A 16 THR HG2% 1.0 . 2.88 702 657 A 26 THR HB A 55 ALA HA 1.0 . 3.72 703 658 A 60 CYS HB2 A 55 ALA HA 1.0 . 3.38 704 659 A 55 ALA HA A 60 CYS HB3 1.0 . 3.85 705 660 A 24 TYR HA A 29 ILE HB 1.0 . 3.96 706 661 A 28 TYR H A 23 ASP HA 1.0 . 4.24 707 662 A 23 ASP HA A 28 TYR HB2 1.0 . 3.05 708 663 A 54 GLN HA A 54 GLN HGx 1.0 . 3.23 709 663 A 54 GLN HA A 54 GLN HGy 1.0 . 3.23 710 664 A 53 ALA HA A 56 PHE HB3 1.0 . 3.60 711 665 A 48 THR HB A 45 GLU HA 1.0 . 2.74 712 666 A 43 PHE HB2 A 6 HIS HB3 1.0 . 4.47 713 667 A 45 GLU HA A 45 GLU HGx 1.0 . 3.53 714 667 A 45 GLU HGy A 45 GLU HA 1.0 . 3.53 715 668 A 45 GLU HA A 45 GLU HB2 1.0 . 2.92 716 669 A 45 GLU HA A 45 GLU HB3 1.0 . 2.93 717 670 A 48 THR HG2% A 45 GLU HA 1.0 . 3.64 718 671 A 52 ARG HA A 55 ALA HB% 1.0 . 3.59 719 672 A 46 THR HG2% A 46 THR HA 1.0 . 2.85 720 673 A 5 GLU HA A 6 HIS HA 1.0 . 4.58 721 674 A 5 GLU HG3 A 5 GLU HA 1.0 . 4.15 722 675 A 4 GLU HA A 18 SER HBx 1.0 . 3.07 723 675 A 18 SER HBy A 4 GLU HA 1.0 . 3.07 724 676 A 4 GLU HB2 A 4 GLU HA 1.0 . 2.80 725 677 A 52 ARG HA A 52 ARG HG2 1.0 . 3.44 726 678 A 5 GLU HB3 A 5 GLU HA 1.0 . 3.00 727 679 A 26 THR HA A 54 GLN HGx 1.0 . 3.89 728 679 A 26 THR HA A 54 GLN HGy 1.0 . 3.89 729 680 A 26 THR HA A 54 GLN HB2 1.0 . 4.24 730 681 A 55 ALA HB% A 26 THR HA 1.0 . 2.79 731 682 A 26 THR HA A 26 THR HG2% 1.0 . 2.94 732 683 A 11 THR HB A 11 THR HA 1.0 . 2.42 733 684 A 11 THR HA A 11 THR HG2% 1.0 . 2.78 734 685 A 19 GLN HA A 22 TRP HBx 1.0 . 3.72 735 685 A 19 GLN HA A 22 TRP HBy 1.0 . 3.72 736 686 A 19 GLN HG3 A 19 GLN HA 1.0 . 3.87 737 687 A 22 TRP HE3 A 3 PRO HA 1.0 . 4.56 738 688 A 6 HIS HD2 A 3 PRO HA 1.0 . 4.18 739 689 A 43 PHE HD% A 3 PRO HA 1.0 . 3.71 740 690 A 21 ALA HA A 15 TYR HB2 1.0 . 3.99 741 691 A 21 ALA HA A 15 TYR HE% 1.0 . 4.61 742 692 A 63 TRP HD1 A 63 TRP HA 1.0 . 4.11 743 693 A 35 GLY HA3 A 63 TRP HA 1.0 . 2.89 744 694 A 63 TRP HA A 35 GLY HA2 1.0 . 2.99 745 695 A 26 THR HB A 54 GLN HB2 1.0 . 3.43 746 696 A 26 THR HB A 54 GLN HB3 1.0 . 3.83 747 697 A 63 TRP HD1 A 56 PHE HA 1.0 . 4.60 748 698 A 48 THR HG2% A 49 GLY HA2 1.0 . 4.36 749 699 A 39 CYS HB3 A 48 THR HA 1.0 . 3.32 750 700 A 48 THR HA A 39 CYS HB2 1.0 . 4.01 751 701 A 48 THR HA A 51 CYS HBx 1.0 . 3.35 752 701 A 48 THR HA A 51 CYS HBy 1.0 . 3.35 753 702 A 48 THR HG2% A 48 THR HA 1.0 . 3.20 754 703 A 47 GLY HA3 A 50 ALA HB% 1.0 . 3.93 755 704 A 29 ILE HA A 29 ILE HD1% 1.0 . 3.78 756 705 A 29 ILE HA A 29 ILE HG13 1.0 . 3.34 757 706 A 29 ILE HA A 29 ILE HG2% 1.0 . 3.03 758 707 A 29 ILE HA A 29 ILE HG12 1.0 . 3.68 759 708 A 37 ILE HA A 37 ILE HG2% 1.0 . 2.84 760 709 A 25 CYS H A 25 CYS HB2 1.0 . 4.03 761 710 A 37 ILE HA A 40 ASN HB3 1.0 . 3.61 762 711 A 26 THR H A 25 CYS HB2 1.0 . 4.26 763 712 A 37 ILE HA A 37 ILE HG12 1.0 . 3.38 764 713 A 37 ILE HA A 37 ILE HG13 1.0 . 3.23 765 714 A 37 ILE HA A 37 ILE HD1% 1.0 . 3.56 766 715 A 30 VAL HA A 30 VAL HG1% 1.0 . 2.73 767 716 A 30 VAL HB A 30 VAL HA 1.0 . 2.93 768 717 A 35 GLY H A 34 CYS HB3 1.0 . 4.35 769 718 A 3 PRO HB2 A 18 SER HBx 1.0 . 3.80 770 718 A 18 SER HBy A 3 PRO HB2 1.0 . 3.80 771 719 A 43 PHE HE% A 18 SER HBx 1.0 . 4.33 772 719 A 43 PHE HE% A 18 SER HBy 1.0 . 4.33 773 720 A 6 HIS HB3 A 47 GLY HA2 1.0 . 3.46 774 721 A 22 TRP HH2 A 51 CYS HA 1.0 . 3.57 775 722 A 22 TRP HZ3 A 51 CYS HA 1.0 . 3.09 776 723 A 51 CYS HA A 51 CYS HBx 1.0 . 2.40 777 723 A 51 CYS HA A 51 CYS HBy 1.0 . 2.40 778 724 A 51 CYS HA A 54 GLN HB3 1.0 . 4.17 779 725 A 51 CYS HA A 22 TRP HE3 1.0 . 3.84 780 726 A 51 CYS HA A 50 ALA HB% 1.0 . 4.08 781 727 A 3 PRO HB2 A 22 TRP HBx 1.0 . 4.24 782 727 A 22 TRP HBy A 3 PRO HB2 1.0 . 4.24 783 728 A 3 PRO HB3 A 22 TRP HBx 1.0 . 4.04 784 728 A 22 TRP HBy A 3 PRO HB3 1.0 . 4.04 785 729 A 3 PRO HG3 A 22 TRP HBx 1.0 . 4.48 786 729 A 22 TRP HBy A 3 PRO HG3 1.0 . 4.48 787 730 A 34 CYS HA A 38 CYS HB2 1.0 . 4.33 788 731 A 54 GLN HE21 A 58 ASN HB3 1.0 . 4.51 789 732 A 36 GLU HA A 52 ARG HG2 1.0 . 3.73 790 733 A 52 ARG HA A 36 GLU HA 1.0 . 3.81 791 734 A 2 ASP HA A 3 PRO HD2 1.0 . 3.03 792 735 A 36 GLU HA A 39 CYS H 1.0 . 4.34 793 736 A 39 CYS HB3 A 48 THR HG2% 1.0 . 2.99 794 737 A 39 CYS HB3 A 51 CYS HBx 1.0 . 3.97 795 737 A 39 CYS HB3 A 51 CYS HBy 1.0 . 3.97 796 738 A 58 ASN HB2 A 55 ALA HA 1.0 . 3.59 797 739 A 26 THR HG2% A 25 CYS HB3 1.0 . 4.65 798 740 A 25 CYS HB3 A 22 TRP HA 1.0 . 4.19 799 741 A 52 ARG HA A 52 ARG HDx 1.0 . 4.08 800 741 A 52 ARG HA A 52 ARG HDy 1.0 . 4.08 801 742 A 35 GLY H A 34 CYS HB2 1.0 . 4.07 802 743 A 52 ARG HB3 A 52 ARG HDx 1.0 . 3.54 803 743 A 52 ARG HDy A 52 ARG HB3 1.0 . 3.54 804 744 A 55 ALA HB% A 34 CYS HB2 1.0 . 4.57 805 745 A 43 PHE HB2 A 47 GLY HA2 1.0 . 3.84 806 746 A 9 PRO HD2 A 8 ASP HA 1.0 . 3.02 807 747 A 62 ASN HB3 A 62 ASN HA 1.0 . 3.06 808 748 A 24 TYR HD% A 31 ASN HB3 1.0 . 4.00 809 749 A 31 ASN HA A 31 ASN HB3 1.0 . 2.68 810 750 A 31 ASN HB3 A 29 ILE HG2% 1.0 . 4.38 811 751 A 24 TYR HB3 A 15 TYR HE% 1.0 . 4.47 812 752 A 6 HIS HB2 A 47 GLY HA3 1.0 . 4.28 813 753 A 13 CYS HB2 A 9 PRO HB2 1.0 . 4.04 814 754 A 31 ASN HB2 A 31 ASN HA 1.0 . 2.79 815 755 A 31 ASN HB2 A 29 ILE HG2% 1.0 . 4.46 816 756 A 31 ASN HB2 A 24 TYR HD% 1.0 . 4.00 817 757 A 38 CYS HA A 41 ASP HB3 1.0 . 3.91 818 758 A 40 ASN HB2 A 40 ASN HA 1.0 . 2.93 819 759 A 63 TRP HA A 60 CYS HB3 1.0 . 3.70 820 760 A 40 ASN HB2 A 37 ILE HA 1.0 . 3.57 821 761 A 27 ASN HB3 A 60 CYS HB3 1.0 . 3.96 822 762 A 55 ALA HB% A 60 CYS HB3 1.0 . 3.47 823 763 A 56 PHE HB2 A 53 ALA HA 1.0 . 3.30 824 764 A 28 TYR HB2 A 29 ILE HG12 1.0 . 4.19 825 765 A 28 TYR HB2 A 29 ILE HD1% 1.0 . 4.59 826 766 A 23 ASP HB3 A 20 ASP HA 1.0 . 3.99 827 767 A 23 ASP HB3 A 28 TYR HD% 1.0 . 3.69 828 768 A 17 ASN HB3 A 17 ASN HA 1.0 . 2.77 829 769 A 43 PHE HE% A 42 CYS HB2 1.0 . 4.48 830 770 A 42 CYS HB2 A 7 PHE HE% 1.0 . 3.36 831 771 A 21 ALA H A 20 ASP HB3 1.0 . 3.26 832 772 A 43 PHE HE% A 18 SER HA 1.0 . 3.83 833 773 A 18 SER HA A 18 SER HBx 1.0 . 2.50 834 773 A 18 SER HBy A 18 SER HA 1.0 . 2.50 835 774 A 2 ASP HB2 A 3 PRO HD2 1.0 . 3.70 836 775 A 18 SER HA A 3 PRO HB2 1.0 . 4.22 837 776 A 15 TYR HD% A 20 ASP HB3 1.0 . 3.11 838 777 A 20 ASP HB3 A 21 ALA HA 1.0 . 4.26 839 778 A 15 TYR HB3 A 20 ASP HB2 1.0 . 3.74 840 779 A 15 TYR HD% A 20 ASP HB2 1.0 . 3.61 841 780 A 41 ASP HB2 A 38 CYS HA 1.0 . 3.99 842 781 A 55 ALA HB% A 60 CYS HB2 1.0 . 3.55 843 782 A 3 PRO HD2 A 2 ASP HB3 1.0 . 4.26 844 783 A 44 ASP HB3 A 8 ASP HBx 1.0 . 4.02 845 783 A 44 ASP HB3 A 8 ASP HBy 1.0 . 4.02 846 784 A 44 ASP HB2 A 8 ASP HBx 1.0 . 3.68 847 784 A 44 ASP HB2 A 8 ASP HBy 1.0 . 3.68 848 785 A 43 PHE HA A 8 ASP HBx 1.0 . 4.18 849 785 A 43 PHE HA A 8 ASP HBy 1.0 . 4.18 850 786 A 45 GLU HB3 A 45 GLU HGx 1.0 . 2.93 851 786 A 45 GLU HGy A 45 GLU HB3 1.0 . 2.93 852 787 A 59 SER H A 54 GLN HGx 1.0 . 4.44 853 787 A 59 SER H A 54 GLN HGy 1.0 . 4.44 854 788 A 26 THR HG2% A 54 GLN HGx 1.0 . 3.34 855 788 A 26 THR HG2% A 54 GLN HGy 1.0 . 3.34 856 789 A 19 GLN HG2 A 19 GLN HA 1.0 . 3.96 857 790 A 26 THR HB A 54 GLN HGx 1.0 . 3.01 858 790 A 26 THR HB A 54 GLN HGy 1.0 . 3.01 859 791 A 54 GLN HB2 A 54 GLN HGx 1.0 . 2.93 860 791 A 54 GLN HGy A 54 GLN HB2 1.0 . 2.93 861 792 A 52 ARG H A 51 CYS HBx 1.0 . 3.80 862 792 A 52 ARG H A 51 CYS HBy 1.0 . 3.80 863 793 A 24 TYR HA A 23 ASP HB2 1.0 . 4.09 864 794 A 23 ASP HB2 A 29 ILE HD1% 1.0 . 4.14 865 795 A 23 ASP HB2 A 29 ILE HG13 1.0 . 4.16 866 796 A 36 GLU HA A 52 ARG HB3 1.0 . 4.44 867 797 A 4 GLU HA A 4 GLU HGx 1.0 . 3.88 868 797 A 4 GLU HGy A 4 GLU HA 1.0 . 3.88 869 798 A 57 GLY HA2 A 56 PHE HB3 1.0 . 4.09 870 799 A 21 ALA HA A 24 TYR HB2 1.0 . 4.40 871 800 A 19 GLN HG2 A 19 GLN HB3 1.0 . 2.81 872 801 A 5 GLU HB3 A 5 GLU HG3 1.0 . 2.88 873 802 A 46 THR H A 45 GLU HB3 1.0 . 4.26 874 803 A 34 CYS HB2 A 27 ASN HB3 1.0 . 3.38 875 804 A 36 GLU HA A 36 GLU HGx 1.0 . 3.61 876 804 A 36 GLU HA A 36 GLU HGy 1.0 . 3.61 877 805 A 37 ILE HA A 36 GLU HGx 1.0 . 4.53 878 805 A 36 GLU HGy A 37 ILE HA 1.0 . 4.53 879 806 A 63 TRP HZ3 A 52 ARG HB2 1.0 . 4.59 880 807 A 36 GLU HB2 A 52 ARG HDx 1.0 . 4.12 881 807 A 36 GLU HB2 A 52 ARG HDy 1.0 . 4.12 882 808 A 61 LEU HA A 61 LEU HBx 1.0 . 2.86 883 808 A 61 LEU HBy A 61 LEU HA 1.0 . 2.86 884 809 A 61 LEU HD2% A 61 LEU HBx 1.0 . 3.13 885 809 A 61 LEU HBy A 61 LEU HD2% 1.0 . 3.13 886 810 A 55 ALA HB% A 35 GLY HA3 1.0 . 3.87 887 811 A 55 ALA HB% A 26 THR HB 1.0 . 3.75 888 812 A 55 ALA HB% A 63 TRP HBx 1.0 . 3.86 889 812 A 55 ALA HB% A 63 TRP HBy 1.0 . 3.86 890 813 A 55 ALA HB% A 26 THR HG2% 1.0 . 4.29 891 814 A 54 GLN HB3 A 50 ALA HB% 1.0 . 4.84 892 815 A 48 THR HA A 50 ALA HB% 1.0 . 4.61 893 816 A 50 ALA HA A 53 ALA HB% 1.0 . 3.18 894 817 A 55 ALA HB% A 52 ARG HG2 1.0 . 4.62 895 818 A 58 ASN HB3 A 53 ALA HB% 1.0 . 4.83 896 819 A 48 THR HG2% A 52 ARG HG2 1.0 . 3.92 897 820 A 39 CYS HB2 A 52 ARG HG2 1.0 . 4.16 898 821 A 63 TRP HE3 A 52 ARG HG2 1.0 . 4.55 899 822 A 15 TYR HA A 21 ALA HB% 1.0 . 4.85 900 823 A 21 ALA HB% A 15 TYR HB2 1.0 . 3.57 901 824 A 15 TYR HB3 A 21 ALA HB% 1.0 . 3.89 902 825 A 48 THR HG2% A 36 GLU HB2 1.0 . 4.33 903 826 A 48 THR HG2% A 40 ASN HA 1.0 . 3.41 904 827 A 48 THR HG2% A 39 CYS HB2 1.0 . 4.20 905 828 A 48 THR HG2% A 52 ARG HB3 1.0 . 4.29 906 829 A 16 THR HG2% A 14 ASP HA 1.0 . 4.71 907 830 A 9 PRO HD3 A 8 ASP HA 1.0 . 3.51 908 831 A 62 ASN H A 61 LEU HD2% 1.0 . 4.68 909 832 A 61 LEU HD2% A 61 LEU HA 1.0 . 3.30 910 833 A 46 THR HG2% A 47 GLY HA3 1.0 . 4.51 911 834 A 61 LEU HD1% A 61 LEU HBx 1.0 . 2.94 912 834 A 61 LEU HD1% A 61 LEU HBy 1.0 . 2.94 913 835 A 61 LEU HD1% A 61 LEU HA 1.0 . 3.50 914 836 A 40 ASN HB3 A 37 ILE HG2% 1.0 . 4.56 915 837 A 38 CYS HA A 37 ILE HG2% 1.0 . 4.31 916 838 A 37 ILE HG2% A 37 ILE HD1% 1.0 . 3.10 917 839 A 27 ASN HA A 30 VAL HG1% 1.0 . 4.77 918 840 A 37 ILE HG12 A 37 ILE HG2% 1.0 . 3.86 919 841 A 37 ILE HG13 A 37 ILE HG2% 1.0 . 3.64 920 842 A 41 ASP HB2 A 37 ILE HG2% 1.0 . 4.57 921 843 A 50 ALA HB% A 1 THR HG2% 1.0 . 4.32 922 844 A 22 TRP HZ3 A 1 THR HG2% 1.0 . 4.80 923 845 A 1 THR HG2% A 3 PRO HA 1.0 . 4.48 924 846 A 2 ASP HB2 A 1 THR HG2% 1.0 . 4.26 925 847 A 6 HIS HB2 A 1 THR HG2% 1.0 . 4.56 926 848 A 37 ILE HB A 37 ILE HD1% 1.0 . 3.44 927 849 A 29 ILE H A 29 ILE HG2% 1.0 . 3.94 928 850 A 24 TYR HA A 29 ILE HG2% 1.0 . 4.13 929 851 A 23 ASP HB2 A 29 ILE HG2% 1.0 . 4.71 930 852 A 29 ILE HG12 A 29 ILE HG2% 1.0 . 2.67 931 853 A 29 ILE HG12 A 28 TYR HE% 1.0 . 4.67 932 854 A 24 TYR HA A 29 ILE HG12 1.0 . 4.45 933 855 A 29 ILE HG12 A 23 ASP HB2 1.0 . 3.64 934 856 A 26 THR HG2% A 54 GLN HB3 1.0 . 3.87 935 857 A 26 THR HG2% A 22 TRP HA 1.0 . 4.11 stop_ save_