data_nef_c19704_2mj4 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2MJ4 PDB 1NOR BMRB 5052 BMRB 5690 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 3 CYS SG 1 23 CYS SG 1 3 CYS SG 1 17 CYS SG 1 17 CYS SG 1 40 CYS SG 1 42 CYS SG 1 53 CYS SG 1 54 CYS SG 1 59 CYS SG stop_ 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 LEU start . . 2 A 2 GLU middle . . 3 A 3 CYS middle -HG . 4 A 4 HIS middle . . 5 A 5 ASN middle . . 6 A 6 GLN middle . . 7 A 7 GLN middle . . 8 A 8 SER middle . . 9 A 9 SER middle . . 10 A 10 GLN middle . . 11 A 11 PRO middle . false 12 A 12 PRO middle . false 13 A 13 THR middle . . 14 A 14 THR middle . . 15 A 15 LYS middle . . 16 A 16 THR middle . . 17 A 17 CYS middle -HG . 18 A 18 SER middle . . 19 A 19 GLY middle . false 20 A 20 GLU middle . . 21 A 21 THR middle . . 22 A 22 ASN middle . . 23 A 23 CYS middle -HG . 24 A 24 TYR middle . . 25 A 25 LYS middle . . 26 A 26 LYS middle . . 27 A 27 TRP middle . . 28 A 28 TRP middle . . 29 A 29 SER middle . . 30 A 30 ASP middle . . 31 A 31 HIS middle . . 32 A 32 ARG middle . . 33 A 33 GLY middle . false 34 A 34 THR middle . . 35 A 35 ILE middle . . 36 A 36 ILE middle . . 37 A 37 GLU middle . . 38 A 38 ARG middle . . 39 A 39 GLY middle . false 40 A 40 CYS middle -HG . 41 A 41 GLY middle . false 42 A 42 CYS middle -HG . 43 A 43 PRO middle . false 44 A 44 LYS middle . . 45 A 45 VAL middle . . 46 A 46 LYS middle . . 47 A 47 PRO middle . false 48 A 48 GLY middle . false 49 A 49 VAL middle . . 50 A 50 ASN middle . . 51 A 51 LEU middle . . 52 A 52 ASN middle . . 53 A 53 CYS middle -HG . 54 A 54 CYS middle -HG . 55 A 55 ARG middle . . 56 A 56 THR middle . . 57 A 57 ASP middle . . 58 A 58 ARG middle . . 59 A 59 CYS middle -HG . 60 A 60 ASN middle . . 61 A 61 ASN end . . stop_ save_ save_Neurotoxin_II_13C_15N_1H _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode Neurotoxin_II_13C_15N_1H 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 LEU HA H 1 4.418 0.197 A 1 LEU HB2 H 1 1.709 0.234 A 1 LEU HB3 H 1 1.552 0.251 A 1 LEU HD1% H 1 0.862 0.208 A 1 LEU HD2% H 1 0.854 0.211 A 1 LEU HG H 1 1.496 0.427 A 1 LEU C C 13 173.987 0.870 A 1 LEU CA C 13 54.570 0.774 A 1 LEU CB C 13 42.940 0.858 A 1 LEU CD1 C 13 25.033 1.224 A 1 LEU CD2 C 13 24.650 1.402 A 1 LEU CG C 13 26.629 0.775 A 2 GLU H H 1 8.925 0.378 A 2 GLU HA H 1 4.914 0.197 A 2 GLU HB2 H 1 2.053 0.234 A 2 GLU HB3 H 1 1.849 0.251 A 2 GLU HG2 H 1 2.288 0.167 A 2 GLU HG3 H 1 2.196 0.195 A 2 GLU C C 13 175.510 0.870 A 2 GLU CA C 13 55.734 0.774 A 2 GLU CB C 13 31.519 0.858 A 2 GLU CD C 13 182.498 0.612 A 2 GLU CG C 13 36.357 0.775 A 2 GLU N N 15 123.918 2.086 A 3 CYS H H 1 8.841 0.378 A 3 CYS HA H 1 4.906 0.197 A 3 CYS HB2 H 1 3.118 0.234 A 3 CYS HB3 H 1 2.851 0.251 A 3 CYS C C 13 173.198 0.870 A 3 CYS CA C 13 54.607 0.774 A 3 CYS CB C 13 44.437 0.858 A 3 CYS N N 15 120.796 2.086 A 4 HIS H H 1 8.895 0.378 A 4 HIS HA H 1 5.012 0.197 A 4 HIS HB2 H 1 3.075 0.234 A 4 HIS HB3 H 1 2.937 0.251 A 4 HIS HD2 H 1 7.057 0.211 A 4 HIS HE1 H 1 8.123 0.284 A 4 HIS C C 13 174.625 0.870 A 4 HIS CA C 13 56.299 0.774 A 4 HIS CB C 13 30.257 0.858 A 4 HIS CD2 C 13 119.432 1.402 A 4 HIS CE1 C 13 137.018 1.057 A 4 HIS CG C 13 134.239 0.775 A 4 HIS N N 15 120.094 2.086 A 5 ASN H H 1 8.796 0.378 A 5 ASN HA H 1 5.019 0.197 A 5 ASN HB2 H 1 2.856 0.234 A 5 ASN HB3 H 1 2.639 0.251 A 5 ASN HD21 H 1 7.436 0.211 A 5 ASN HD22 H 1 6.944 0.211 A 5 ASN C C 13 174.309 0.870 A 5 ASN CA C 13 52.582 0.774 A 5 ASN CB C 13 40.252 0.858 A 5 ASN CG C 13 176.667 0.775 A 5 ASN N N 15 120.546 2.086 A 6 GLN H H 1 8.014 0.378 A 6 GLN HA H 1 4.371 0.197 A 6 GLN HB2 H 1 2.059 0.234 A 6 GLN HB3 H 1 1.926 0.251 A 6 GLN HE21 H 1 7.291 0.179 A 6 GLN HE22 H 1 6.853 0.179 A 6 GLN HG2 H 1 2.340 0.167 A 6 GLN HG3 H 1 2.300 0.195 A 6 GLN C C 13 175.283 0.870 A 6 GLN CA C 13 55.498 0.774 A 6 GLN CB C 13 29.566 0.858 A 6 GLN CD C 13 179.286 0.612 A 6 GLN CG C 13 33.742 0.775 A 6 GLN N N 15 119.866 2.086 A 7 GLN H H 1 8.401 0.378 A 7 GLN HA H 1 4.426 0.197 A 7 GLN HB2 H 1 2.092 0.234 A 7 GLN HB3 H 1 2.038 0.251 A 7 GLN HE21 H 1 7.347 0.179 A 7 GLN HE22 H 1 7.003 0.179 A 7 GLN HG2 H 1 2.386 0.167 A 7 GLN HG3 H 1 2.358 0.195 A 7 GLN C C 13 176.042 0.870 A 7 GLN CA C 13 55.213 0.774 A 7 GLN CB C 13 29.719 0.858 A 7 GLN CD C 13 179.742 0.612 A 7 GLN CG C 13 33.927 0.775 A 7 GLN N N 15 121.766 2.086 A 8 SER H H 1 8.618 0.378 A 8 SER HA H 1 4.116 0.197 A 8 SER HB2 H 1 3.894 0.234 A 8 SER HB3 H 1 3.868 0.251 A 8 SER C C 13 174.527 0.870 A 8 SER CA C 13 59.975 0.774 A 8 SER CB C 13 62.853 0.858 A 8 SER N N 15 117.165 2.086 A 9 SER H H 1 8.398 0.378 A 9 SER HA H 1 4.361 0.197 A 9 SER HB2 H 1 3.852 0.234 A 9 SER HB3 H 1 3.826 0.251 A 9 SER C C 13 174.082 0.870 A 9 SER CA C 13 58.341 0.774 A 9 SER CB C 13 63.046 0.858 A 9 SER N N 15 117.218 2.086 A 10 GLN H H 1 7.752 0.378 A 10 GLN HA H 1 4.479 0.197 A 10 GLN HB2 H 1 2.091 0.234 A 10 GLN HB3 H 1 1.953 0.251 A 10 GLN HE21 H 1 7.234 0.179 A 10 GLN HE22 H 1 6.913 0.179 A 10 GLN HG2 H 1 2.381 0.167 A 10 GLN HG3 H 1 2.340 0.195 A 10 GLN C C 13 173.868 0.870 A 10 GLN CA C 13 53.839 0.774 A 10 GLN CB C 13 28.803 0.858 A 10 GLN CD C 13 179.813 0.612 A 10 GLN CG C 13 33.692 0.775 A 10 GLN N N 15 120.653 2.086 A 11 PRO HA H 1 4.521 0.197 A 11 PRO HB2 H 1 2.165 0.234 A 11 PRO HB3 H 1 1.959 0.251 A 11 PRO HD2 H 1 3.731 0.211 A 11 PRO HD3 H 1 3.715 0.208 A 11 PRO HG2 H 1 2.066 0.167 A 11 PRO HG3 H 1 1.977 0.195 A 11 PRO C C 13 175.295 0.870 A 11 PRO CA C 13 61.962 0.774 A 11 PRO CB C 13 31.597 0.858 A 11 PRO CD C 13 50.430 0.612 A 11 PRO CG C 13 27.312 0.775 A 12 PRO HA H 1 4.548 0.197 A 12 PRO HB2 H 1 2.169 0.234 A 12 PRO HB3 H 1 1.888 0.251 A 12 PRO HD2 H 1 3.704 0.211 A 12 PRO HD3 H 1 3.691 0.208 A 12 PRO HG2 H 1 1.954 0.167 A 12 PRO HG3 H 1 1.873 0.195 A 12 PRO C C 13 176.245 0.870 A 12 PRO CA C 13 63.207 0.774 A 12 PRO CB C 13 32.167 0.858 A 12 PRO CD C 13 50.542 0.612 A 12 PRO CG C 13 27.324 0.775 A 13 THR H H 1 8.414 0.378 A 13 THR HA H 1 4.624 0.197 A 13 THR HB H 1 4.028 0.189 A 13 THR HG2% H 1 1.145 0.167 A 13 THR C C 13 173.100 0.870 A 13 THR CA C 13 60.707 0.774 A 13 THR CB C 13 71.210 0.858 A 13 THR CG2 C 13 20.658 1.083 A 13 THR N N 15 115.961 2.086 A 14 THR H H 1 8.358 0.378 A 14 THR HA H 1 4.984 0.197 A 14 THR HB H 1 4.005 0.189 A 14 THR HG2% H 1 1.095 0.167 A 14 THR C C 13 173.669 0.870 A 14 THR CA C 13 61.351 0.774 A 14 THR CB C 13 70.973 0.858 A 14 THR CG2 C 13 21.534 1.083 A 14 THR N N 15 117.765 2.086 A 15 LYS H H 1 8.818 0.378 A 15 LYS HA H 1 4.694 0.197 A 15 LYS HB2 H 1 1.750 0.234 A 15 LYS HB3 H 1 1.704 0.251 A 15 LYS HD2 H 1 1.666 0.211 A 15 LYS HD3 H 1 1.649 0.208 A 15 LYS HE2 H 1 2.942 0.179 A 15 LYS HE3 H 1 2.925 0.380 A 15 LYS HG2 H 1 1.330 0.167 A 15 LYS HG3 H 1 1.338 0.195 A 15 LYS C C 13 175.028 0.870 A 15 LYS CA C 13 54.683 0.774 A 15 LYS CB C 13 35.714 0.858 A 15 LYS CD C 13 29.125 0.612 A 15 LYS CE C 13 41.892 0.447 A 15 LYS CG C 13 24.565 0.775 A 15 LYS N N 15 124.343 2.086 A 16 THR H H 1 8.524 0.378 A 16 THR HA H 1 4.728 0.197 A 16 THR HB H 1 4.032 0.189 A 16 THR HG2% H 1 1.210 0.167 A 16 THR C C 13 174.105 0.870 A 16 THR CA C 13 62.253 0.774 A 16 THR CB C 13 69.778 0.858 A 16 THR CG2 C 13 21.562 1.083 A 16 THR N N 15 118.754 2.086 A 17 CYS H H 1 8.723 0.378 A 17 CYS HA H 1 4.861 0.197 A 17 CYS HB2 H 1 3.190 0.234 A 17 CYS HB3 H 1 3.020 0.251 A 17 CYS C C 13 173.668 0.870 A 17 CYS CA C 13 54.921 0.774 A 17 CYS CB C 13 43.010 0.858 A 17 CYS N N 15 123.675 2.086 A 18 SER H H 1 8.560 0.378 A 18 SER HA H 1 4.548 0.197 A 18 SER HB2 H 1 3.955 0.234 A 18 SER HB3 H 1 3.819 0.251 A 18 SER C C 13 174.783 0.870 A 18 SER CA C 13 58.336 0.774 A 18 SER CB C 13 64.242 0.858 A 18 SER N N 15 118.840 2.086 A 19 GLY H H 1 8.635 0.378 A 19 GLY HA2 H 1 4.009 0.334 A 19 GLY HA3 H 1 3.855 0.359 A 19 GLY C C 13 174.362 0.870 A 19 GLY CA C 13 45.717 0.774 A 19 GLY N N 15 111.284 2.086 A 20 GLU H H 1 8.009 0.378 A 20 GLU HA H 1 4.420 0.197 A 20 GLU HB2 H 1 2.070 0.234 A 20 GLU HB3 H 1 2.052 0.251 A 20 GLU HG2 H 1 2.285 0.167 A 20 GLU HG3 H 1 2.282 0.195 A 20 GLU C C 13 176.353 0.870 A 20 GLU CA C 13 56.038 0.774 A 20 GLU CB C 13 30.625 0.858 A 20 GLU CD C 13 182.443 0.612 A 20 GLU CG C 13 36.050 0.775 A 20 GLU N N 15 120.137 2.086 A 21 THR H H 1 8.550 0.378 A 21 THR HA H 1 4.457 0.197 A 21 THR HB H 1 4.191 0.189 A 21 THR HG2% H 1 1.176 0.167 A 21 THR C C 13 174.039 0.870 A 21 THR CA C 13 61.881 0.774 A 21 THR CB C 13 70.078 0.858 A 21 THR CG2 C 13 21.290 1.083 A 21 THR N N 15 114.968 2.086 A 22 ASN H H 1 7.911 0.378 A 22 ASN HA H 1 5.325 0.197 A 22 ASN HB2 H 1 2.814 0.234 A 22 ASN HB3 H 1 2.719 0.251 A 22 ASN HD21 H 1 7.512 0.211 A 22 ASN HD22 H 1 6.859 0.211 A 22 ASN C C 13 174.392 0.870 A 22 ASN CA C 13 52.443 0.774 A 22 ASN CB C 13 42.359 0.858 A 22 ASN CG C 13 176.332 0.775 A 22 ASN N N 15 118.714 2.086 A 23 CYS H H 1 9.091 0.378 A 23 CYS HA H 1 5.269 0.197 A 23 CYS HB2 H 1 3.170 0.234 A 23 CYS HB3 H 1 2.890 0.251 A 23 CYS C C 13 173.137 0.870 A 23 CYS CA C 13 54.889 0.774 A 23 CYS CB C 13 44.079 0.858 A 23 CYS N N 15 117.238 2.086 A 24 TYR H H 1 8.856 0.378 A 24 TYR HA H 1 5.745 0.197 A 24 TYR HB2 H 1 3.053 0.234 A 24 TYR HB3 H 1 2.851 0.251 A 24 TYR HD1 H 1 6.896 0.208 A 24 TYR HD2 H 1 6.958 0.211 A 24 TYR HE1 H 1 6.696 0.284 A 24 TYR HE2 H 1 6.694 0.179 A 24 TYR C C 13 173.876 0.870 A 24 TYR CA C 13 55.801 0.774 A 24 TYR CB C 13 42.593 0.858 A 24 TYR CD1 C 13 133.101 1.224 A 24 TYR CD2 C 13 133.186 1.402 A 24 TYR CE1 C 13 117.862 1.057 A 24 TYR CE2 C 13 117.917 0.891 A 24 TYR CZ C 13 160.443 1.258 A 24 TYR N N 15 119.092 2.086 A 25 LYS H H 1 9.201 0.378 A 25 LYS HA H 1 5.211 0.197 A 25 LYS HB2 H 1 1.848 0.234 A 25 LYS HB3 H 1 1.744 0.251 A 25 LYS HD2 H 1 1.486 0.211 A 25 LYS HD3 H 1 1.447 0.208 A 25 LYS HE2 H 1 2.718 0.179 A 25 LYS HE3 H 1 2.625 0.380 A 25 LYS HG2 H 1 1.416 0.167 A 25 LYS HG3 H 1 1.311 0.195 A 25 LYS C C 13 174.760 0.870 A 25 LYS CA C 13 55.287 0.774 A 25 LYS CB C 13 36.207 0.858 A 25 LYS CD C 13 29.265 0.612 A 25 LYS CE C 13 41.835 0.447 A 25 LYS CG C 13 24.746 0.775 A 25 LYS N N 15 121.585 2.086 A 26 LYS H H 1 9.533 0.378 A 26 LYS HA H 1 5.625 0.197 A 26 LYS HB2 H 1 1.944 0.234 A 26 LYS HB3 H 1 1.762 0.251 A 26 LYS HD2 H 1 1.580 0.211 A 26 LYS HD3 H 1 1.552 0.208 A 26 LYS HE2 H 1 2.861 0.179 A 26 LYS HE3 H 1 2.747 0.380 A 26 LYS HG2 H 1 1.495 0.167 A 26 LYS HG3 H 1 1.368 0.195 A 26 LYS C C 13 174.971 0.870 A 26 LYS CA C 13 54.756 0.774 A 26 LYS CB C 13 36.553 0.858 A 26 LYS CD C 13 29.276 0.612 A 26 LYS CE C 13 41.882 0.447 A 26 LYS CG C 13 24.850 0.775 A 26 LYS N N 15 126.345 2.086 A 27 TRP H H 1 9.007 0.378 A 27 TRP HA H 1 5.978 0.197 A 27 TRP HB2 H 1 3.232 0.234 A 27 TRP HB3 H 1 3.071 0.251 A 27 TRP HD1 H 1 7.017 0.208 A 27 TRP HE1 H 1 10.085 0.284 A 27 TRP HE3 H 1 7.290 0.380 A 27 TRP C C 13 173.956 0.870 A 27 TRP CA C 13 56.117 0.774 A 27 TRP CB C 13 32.923 0.858 A 27 TRP CD1 C 13 126.656 1.224 A 27 TRP CD2 C 13 127.700 1.402 A 27 TRP CE2 C 13 138.636 0.891 A 27 TRP CG C 13 111.279 0.775 A 27 TRP N N 15 123.547 2.086 A 28 TRP H H 1 8.691 0.378 A 28 TRP HA H 1 5.112 0.197 A 28 TRP HB2 H 1 3.267 0.234 A 28 TRP HB3 H 1 3.091 0.251 A 28 TRP HD1 H 1 7.004 0.208 A 28 TRP HE1 H 1 10.058 0.284 A 28 TRP HE3 H 1 7.267 0.380 A 28 TRP C C 13 173.387 0.870 A 28 TRP CA C 13 56.403 0.774 A 28 TRP CB C 13 32.350 0.858 A 28 TRP CD1 C 13 127.223 1.224 A 28 TRP CD2 C 13 128.235 1.402 A 28 TRP CE2 C 13 138.537 0.891 A 28 TRP CG C 13 111.105 0.775 A 28 TRP N N 15 119.763 2.086 A 29 SER H H 1 8.794 0.378 A 29 SER HA H 1 4.825 0.197 A 29 SER HB2 H 1 3.941 0.234 A 29 SER HB3 H 1 3.855 0.251 A 29 SER C C 13 173.871 0.870 A 29 SER CA C 13 57.800 0.774 A 29 SER CB C 13 64.394 0.858 A 29 SER N N 15 116.800 2.086 A 30 ASP H H 1 8.461 0.378 A 30 ASP HA H 1 4.879 0.197 A 30 ASP HB2 H 1 2.887 0.234 A 30 ASP HB3 H 1 2.727 0.251 A 30 ASP C C 13 175.935 0.870 A 30 ASP CA C 13 53.245 0.774 A 30 ASP CB C 13 43.000 0.858 A 30 ASP CG C 13 179.807 0.775 A 30 ASP N N 15 124.999 2.086 A 31 HIS H H 1 8.988 0.378 A 31 HIS HA H 1 4.471 0.197 A 31 HIS HB2 H 1 3.338 0.234 A 31 HIS HB3 H 1 3.084 0.251 A 31 HIS HD2 H 1 7.004 0.211 A 31 HIS HE1 H 1 8.199 0.284 A 31 HIS C C 13 174.684 0.870 A 31 HIS CA C 13 57.148 0.774 A 31 HIS CB C 13 28.567 0.858 A 31 HIS CD2 C 13 119.548 1.402 A 31 HIS CE1 C 13 136.977 1.057 A 31 HIS CG C 13 133.448 0.775 A 31 HIS N N 15 119.695 2.086 A 32 ARG H H 1 8.285 0.378 A 32 ARG HA H 1 4.217 0.197 A 32 ARG HB2 H 1 1.855 0.234 A 32 ARG HB3 H 1 1.738 0.251 A 32 ARG HD2 H 1 3.168 0.211 A 32 ARG HD3 H 1 3.121 0.208 A 32 ARG HE H 1 7.607 0.378 A 32 ARG HG2 H 1 1.582 0.167 A 32 ARG HG3 H 1 1.528 0.195 A 32 ARG C C 13 175.589 0.870 A 32 ARG CA C 13 56.285 0.774 A 32 ARG CB C 13 29.771 0.858 A 32 ARG CD C 13 43.247 0.612 A 32 ARG CG C 13 27.109 0.775 A 32 ARG CZ C 13 160.118 1.258 A 32 ARG N N 15 116.011 2.086 A 33 GLY H H 1 7.887 0.378 A 33 GLY HA2 H 1 4.161 0.334 A 33 GLY HA3 H 1 3.891 0.359 A 33 GLY C C 13 173.055 0.870 A 33 GLY CA C 13 44.828 0.774 A 33 GLY N N 15 107.656 2.086 A 34 THR H H 1 8.273 0.378 A 34 THR HA H 1 4.536 0.197 A 34 THR HB H 1 3.882 0.189 A 34 THR HG2% H 1 1.191 0.167 A 34 THR C C 13 173.830 0.870 A 34 THR CA C 13 62.517 0.774 A 34 THR CB C 13 69.829 0.858 A 34 THR CG2 C 13 21.520 1.083 A 34 THR N N 15 116.474 2.086 A 35 ILE H H 1 8.276 0.378 A 35 ILE HA H 1 4.057 0.197 A 35 ILE HB H 1 1.325 0.189 A 35 ILE HD1% H 1 0.803 0.208 A 35 ILE HG12 H 1 1.334 0.230 A 35 ILE HG13 H 1 1.041 0.155 A 35 ILE HG2% H 1 0.435 0.167 A 35 ILE C C 13 174.269 0.870 A 35 ILE CA C 13 60.317 0.774 A 35 ILE CB C 13 38.764 0.858 A 35 ILE CD1 C 13 14.301 1.224 A 35 ILE CG1 C 13 26.869 0.967 A 35 ILE CG2 C 13 18.503 1.083 A 35 ILE N N 15 127.506 2.086 A 36 ILE H H 1 8.152 0.378 A 36 ILE HA H 1 4.883 0.197 A 36 ILE HB H 1 1.876 0.189 A 36 ILE HD1% H 1 0.790 0.208 A 36 ILE HG12 H 1 1.248 0.230 A 36 ILE HG13 H 1 1.160 0.155 A 36 ILE HG2% H 1 0.805 0.167 A 36 ILE C C 13 174.924 0.870 A 36 ILE CA C 13 60.162 0.774 A 36 ILE CB C 13 40.327 0.858 A 36 ILE CD1 C 13 14.171 1.224 A 36 ILE CG1 C 13 26.811 0.967 A 36 ILE CG2 C 13 18.353 1.083 A 36 ILE N N 15 127.003 2.086 A 37 GLU H H 1 9.334 0.378 A 37 GLU HA H 1 5.017 0.197 A 37 GLU HB2 H 1 2.119 0.234 A 37 GLU HB3 H 1 1.961 0.251 A 37 GLU HG2 H 1 2.351 0.167 A 37 GLU HG3 H 1 2.251 0.195 A 37 GLU C C 13 174.774 0.870 A 37 GLU CA C 13 54.870 0.774 A 37 GLU CB C 13 33.518 0.858 A 37 GLU CD C 13 182.526 0.612 A 37 GLU CG C 13 36.066 0.775 A 37 GLU N N 15 126.543 2.086 A 38 ARG H H 1 8.377 0.378 A 38 ARG HA H 1 4.790 0.197 A 38 ARG HB2 H 1 1.734 0.234 A 38 ARG HB3 H 1 1.449 0.251 A 38 ARG HD2 H 1 3.071 0.211 A 38 ARG HD3 H 1 3.120 0.208 A 38 ARG HE H 1 7.276 0.378 A 38 ARG HG2 H 1 1.546 0.167 A 38 ARG HG3 H 1 1.477 0.195 A 38 ARG C C 13 174.717 0.870 A 38 ARG CA C 13 54.355 0.774 A 38 ARG CB C 13 34.070 0.858 A 38 ARG CD C 13 43.459 0.612 A 38 ARG CG C 13 27.436 0.775 A 38 ARG CZ C 13 159.900 1.258 A 38 ARG N N 15 122.216 2.086 A 39 GLY H H 1 7.276 0.378 A 39 GLY HA2 H 1 4.178 0.334 A 39 GLY HA3 H 1 3.881 0.359 A 39 GLY C C 13 171.625 0.870 A 39 GLY CA C 13 45.552 0.774 A 39 GLY N N 15 107.902 2.086 A 40 CYS H H 1 8.604 0.378 A 40 CYS HA H 1 5.003 0.197 A 40 CYS HB2 H 1 3.255 0.234 A 40 CYS HB3 H 1 2.981 0.251 A 40 CYS C C 13 174.758 0.870 A 40 CYS CA C 13 54.611 0.774 A 40 CYS CB C 13 42.966 0.858 A 40 CYS N N 15 117.326 2.086 A 41 GLY H H 1 8.860 0.378 A 41 GLY HA2 H 1 4.373 0.334 A 41 GLY HA3 H 1 3.914 0.359 A 41 GLY C C 13 172.505 0.870 A 41 GLY CA C 13 44.710 0.774 A 41 GLY N N 15 111.110 2.086 A 42 CYS H H 1 8.346 0.378 A 42 CYS HA H 1 4.902 0.197 A 42 CYS HB2 H 1 3.077 0.234 A 42 CYS HB3 H 1 2.908 0.251 A 42 CYS C C 13 172.114 0.870 A 42 CYS CA C 13 52.977 0.774 A 42 CYS CB C 13 42.579 0.858 A 42 CYS N N 15 118.158 2.086 A 43 PRO HA H 1 4.334 0.197 A 43 PRO HB2 H 1 1.937 0.234 A 43 PRO HB3 H 1 1.745 0.251 A 43 PRO HD2 H 1 3.205 0.211 A 43 PRO HD3 H 1 2.900 0.208 A 43 PRO HG2 H 1 1.647 0.167 A 43 PRO HG3 H 1 1.562 0.195 A 43 PRO C C 13 175.999 0.870 A 43 PRO CA C 13 62.648 0.774 A 43 PRO CB C 13 32.457 0.858 A 43 PRO CD C 13 50.627 0.612 A 43 PRO CG C 13 27.310 0.775 A 44 LYS H H 1 8.139 0.378 A 44 LYS HA H 1 4.198 0.197 A 44 LYS HB2 H 1 1.729 0.234 A 44 LYS HB3 H 1 1.679 0.251 A 44 LYS HD2 H 1 1.632 0.211 A 44 LYS HD3 H 1 1.633 0.208 A 44 LYS HE2 H 1 2.968 0.179 A 44 LYS HE3 H 1 2.958 0.380 A 44 LYS HG2 H 1 1.421 0.167 A 44 LYS HG3 H 1 1.365 0.195 A 44 LYS C C 13 176.292 0.870 A 44 LYS CA C 13 55.918 0.774 A 44 LYS CB C 13 32.863 0.858 A 44 LYS CD C 13 28.910 0.612 A 44 LYS CE C 13 41.951 0.447 A 44 LYS CG C 13 24.850 0.775 A 44 LYS N N 15 120.100 2.086 A 45 VAL H H 1 8.083 0.378 A 45 VAL HA H 1 3.962 0.197 A 45 VAL HB H 1 1.938 0.189 A 45 VAL HG1% H 1 0.874 0.179 A 45 VAL HG2% H 1 0.775 0.167 A 45 VAL C C 13 175.486 0.870 A 45 VAL CA C 13 61.985 0.774 A 45 VAL CB C 13 32.772 0.858 A 45 VAL CG1 C 13 21.026 0.967 A 45 VAL CG2 C 13 21.161 1.083 A 45 VAL N N 15 121.327 2.086 A 46 LYS H H 1 8.060 0.378 A 46 LYS HA H 1 4.587 0.197 A 46 LYS HB2 H 1 1.684 0.234 A 46 LYS HB3 H 1 1.614 0.251 A 46 LYS HD2 H 1 1.548 0.211 A 46 LYS HD3 H 1 1.475 0.208 A 46 LYS HE2 H 1 2.834 0.179 A 46 LYS HE3 H 1 2.857 0.380 A 46 LYS HG2 H 1 1.327 0.167 A 46 LYS HG3 H 1 1.314 0.195 A 46 LYS C C 13 174.059 0.870 A 46 LYS CA C 13 53.326 0.774 A 46 LYS CB C 13 33.705 0.858 A 46 LYS CD C 13 28.996 0.612 A 46 LYS CE C 13 41.958 0.447 A 46 LYS CG C 13 24.504 0.775 A 46 LYS N N 15 124.990 2.086 A 47 PRO HA H 1 4.245 0.197 A 47 PRO HB2 H 1 2.206 0.234 A 47 PRO HB3 H 1 1.992 0.251 A 47 PRO HD2 H 1 3.701 0.211 A 47 PRO HD3 H 1 3.661 0.208 A 47 PRO HG2 H 1 1.975 0.167 A 47 PRO HG3 H 1 1.954 0.195 A 47 PRO C C 13 177.571 0.870 A 47 PRO CA C 13 63.591 0.774 A 47 PRO CB C 13 31.715 0.858 A 47 PRO CD C 13 50.524 0.612 A 47 PRO CG C 13 27.167 0.775 A 48 GLY H H 1 8.619 0.378 A 48 GLY HA2 H 1 4.036 0.334 A 48 GLY HA3 H 1 3.720 0.359 A 48 GLY C C 13 173.836 0.870 A 48 GLY CA C 13 45.379 0.774 A 48 GLY N N 15 111.121 2.086 A 49 VAL H H 1 7.295 0.378 A 49 VAL HA H 1 4.250 0.197 A 49 VAL HB H 1 1.817 0.189 A 49 VAL HG1% H 1 0.814 0.179 A 49 VAL HG2% H 1 0.587 0.167 A 49 VAL C C 13 174.789 0.870 A 49 VAL CA C 13 61.076 0.774 A 49 VAL CB C 13 33.895 0.858 A 49 VAL CG1 C 13 21.228 0.967 A 49 VAL CG2 C 13 21.016 1.083 A 49 VAL N N 15 119.449 2.086 A 50 ASN H H 1 8.390 0.378 A 50 ASN HA H 1 4.534 0.197 A 50 ASN HB2 H 1 2.190 0.234 A 50 ASN HB3 H 1 1.735 0.251 A 50 ASN HD21 H 1 7.369 0.211 A 50 ASN HD22 H 1 6.829 0.211 A 50 ASN C C 13 173.574 0.870 A 50 ASN CA C 13 52.316 0.774 A 50 ASN CB C 13 38.743 0.858 A 50 ASN CG C 13 176.274 0.775 A 50 ASN N N 15 124.544 2.086 A 51 LEU H H 1 7.840 0.378 A 51 LEU HA H 1 4.969 0.197 A 51 LEU HB2 H 1 1.517 0.234 A 51 LEU HB3 H 1 1.336 0.251 A 51 LEU HD1% H 1 0.852 0.208 A 51 LEU HD2% H 1 0.707 0.211 A 51 LEU HG H 1 1.381 0.427 A 51 LEU C C 13 175.225 0.870 A 51 LEU CA C 13 54.143 0.774 A 51 LEU CB C 13 45.236 0.858 A 51 LEU CD1 C 13 25.457 1.224 A 51 LEU CD2 C 13 25.237 1.402 A 51 LEU CG C 13 27.066 0.775 A 51 LEU N N 15 124.011 2.086 A 52 ASN H H 1 9.228 0.378 A 52 ASN HA H 1 5.147 0.197 A 52 ASN HB2 H 1 2.970 0.234 A 52 ASN HB3 H 1 2.730 0.251 A 52 ASN HD21 H 1 7.487 0.211 A 52 ASN HD22 H 1 7.040 0.211 A 52 ASN C C 13 173.480 0.870 A 52 ASN CA C 13 52.375 0.774 A 52 ASN CB C 13 42.133 0.858 A 52 ASN CG C 13 176.199 0.775 A 52 ASN N N 15 123.613 2.086 A 53 CYS H H 1 8.770 0.378 A 53 CYS HA H 1 5.634 0.197 A 53 CYS HB2 H 1 3.130 0.234 A 53 CYS HB3 H 1 3.043 0.251 A 53 CYS C C 13 173.517 0.870 A 53 CYS CA C 13 54.928 0.774 A 53 CYS CB C 13 43.969 0.858 A 53 CYS N N 15 123.340 2.086 A 54 CYS H H 1 9.167 0.378 A 54 CYS HA H 1 5.190 0.197 A 54 CYS HB2 H 1 3.335 0.234 A 54 CYS HB3 H 1 3.186 0.251 A 54 CYS C C 13 172.800 0.870 A 54 CYS CA C 13 54.434 0.774 A 54 CYS CB C 13 44.192 0.858 A 54 CYS N N 15 118.593 2.086 A 55 ARG H H 1 8.563 0.378 A 55 ARG HA H 1 4.760 0.197 A 55 ARG HB2 H 1 1.838 0.234 A 55 ARG HB3 H 1 1.725 0.251 A 55 ARG HD2 H 1 3.164 0.211 A 55 ARG HD3 H 1 3.156 0.208 A 55 ARG HE H 1 7.211 0.378 A 55 ARG HG2 H 1 1.682 0.167 A 55 ARG HG3 H 1 1.582 0.195 A 55 ARG C C 13 175.884 0.870 A 55 ARG CA C 13 55.320 0.774 A 55 ARG CB C 13 31.408 0.858 A 55 ARG CD C 13 43.241 0.612 A 55 ARG CG C 13 26.995 0.775 A 55 ARG CZ C 13 159.968 1.258 A 55 ARG N N 15 119.747 2.086 A 56 THR H H 1 7.845 0.378 A 56 THR HA H 1 4.384 0.197 A 56 THR HB H 1 4.166 0.189 A 56 THR HG2% H 1 1.208 0.167 A 56 THR C C 13 173.863 0.870 A 56 THR CA C 13 61.245 0.774 A 56 THR CB C 13 70.390 0.858 A 56 THR CG2 C 13 21.180 1.083 A 56 THR N N 15 113.726 2.086 A 57 ASP H H 1 8.507 0.378 A 57 ASP HA H 1 4.481 0.197 A 57 ASP HB2 H 1 2.748 0.234 A 57 ASP HB3 H 1 2.627 0.251 A 57 ASP C C 13 176.636 0.870 A 57 ASP CA C 13 55.537 0.774 A 57 ASP CB C 13 40.815 0.858 A 57 ASP CG C 13 179.875 0.775 A 57 ASP N N 15 122.580 2.086 A 58 ARG H H 1 8.823 0.378 A 58 ARG HA H 1 3.807 0.197 A 58 ARG HB2 H 1 1.907 0.234 A 58 ARG HB3 H 1 1.786 0.251 A 58 ARG HD2 H 1 3.204 0.211 A 58 ARG HD3 H 1 3.160 0.208 A 58 ARG HE H 1 7.523 0.378 A 58 ARG HG2 H 1 1.487 0.167 A 58 ARG HG3 H 1 1.552 0.195 A 58 ARG C C 13 176.060 0.870 A 58 ARG CA C 13 57.129 0.774 A 58 ARG CB C 13 28.001 0.858 A 58 ARG CD C 13 43.264 0.612 A 58 ARG CG C 13 27.430 0.775 A 58 ARG CZ C 13 160.192 1.258 A 58 ARG N N 15 120.946 2.086 A 59 CYS H H 1 8.125 0.378 A 59 CYS HA H 1 4.507 0.197 A 59 CYS HB2 H 1 3.323 0.234 A 59 CYS HB3 H 1 3.035 0.251 A 59 CYS C C 13 174.840 0.870 A 59 CYS CA C 13 56.926 0.774 A 59 CYS CB C 13 40.823 0.858 A 59 CYS N N 15 115.946 2.086 A 60 ASN H H 1 8.240 0.378 A 60 ASN HA H 1 4.681 0.197 A 60 ASN HB2 H 1 2.877 0.234 A 60 ASN HB3 H 1 2.723 0.251 A 60 ASN HD21 H 1 7.445 0.211 A 60 ASN HD22 H 1 6.979 0.211 A 60 ASN C C 13 174.578 0.870 A 60 ASN CA C 13 52.765 0.774 A 60 ASN CB C 13 38.241 0.858 A 60 ASN CG C 13 176.848 0.775 A 60 ASN N N 15 117.831 2.086 A 61 ASN H H 1 7.899 0.378 A 61 ASN HA H 1 4.579 0.197 A 61 ASN HB2 H 1 2.827 0.234 A 61 ASN HB3 H 1 2.675 0.251 A 61 ASN HD21 H 1 7.460 0.211 A 61 ASN HD22 H 1 7.050 0.211 A 61 ASN C C 13 175.598 0.870 A 61 ASN CA C 13 54.029 0.774 A 61 ASN CB C 13 39.000 0.858 A 61 ASN CG C 13 176.622 0.775 A 61 ASN N N 15 122.089 2.086 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 1 LEU HA A 2 GLU H 1.0 . 2.31 2 2 A 2 GLU H A 1 LEU HG 1.0 . 3.28 3 3 A 2 GLU H A 1 LEU HD1% 1.0 . 2.90 4 4 A 2 GLU H A 2 GLU HB2 1.0 . 2.72 5 4 A 2 GLU H A 2 GLU HB3 1.0 . 2.72 6 5 A 2 GLU H A 57 ASP HB3 1.0 . 4.06 7 6 A 2 GLU H A 58 ARG H 1.0 . 3.99 8 7 A 2 GLU H A 58 ARG HG2 1.0 . 4.51 9 8 A 2 GLU HA A 3 CYS H 1.0 . 2.34 10 9 A 3 CYS H A 2 GLU HB2 1.0 . 3.31 11 9 A 2 GLU HB3 A 3 CYS H 1.0 . 3.31 12 10 A 3 CYS H A 3 CYS HB2 1.0 . 3.18 13 11 A 3 CYS H A 3 CYS HB3 1.0 . 4.01 14 12 A 3 CYS H A 14 THR HB 1.0 . 3.82 15 13 A 3 CYS H A 14 THR HG2% 1.0 . 4.16 16 14 A 3 CYS H A 16 THR HA 1.0 . 3.90 17 15 A 3 CYS HA A 4 HIS H 1.0 . 2.78 18 16 A 3 CYS HB2 A 4 HIS H 1.0 . 4.02 19 17 A 3 CYS HB3 A 4 HIS H 1.0 . 3.27 20 18 A 4 HIS H A 4 HIS HB2 1.0 . 2.81 21 19 A 4 HIS H A 4 HIS HB3 1.0 . 3.50 22 20 A 4 HIS H A 4 HIS HD2 1.0 . 3.87 23 21 A 4 HIS H A 58 ARG HA 1.0 . 3.41 24 22 A 4 HIS H A 60 ASN HD22 1.0 . 3.08 25 23 A 4 HIS HA A 5 ASN H 1.0 . 2.45 26 24 A 4 HIS HB3 A 5 ASN H 1.0 . 3.34 27 25 A 5 ASN H A 5 ASN HB2 1.0 . 3.81 28 26 A 5 ASN H A 5 ASN HB3 1.0 . 3.52 29 27 A 5 ASN H A 6 GLN H 1.0 . 2.57 30 28 A 5 ASN H A 13 THR H 1.0 . 3.89 31 29 A 5 ASN H A 13 THR HB 1.0 . 4.17 32 30 A 5 ASN H A 14 THR HA 1.0 . 2.93 33 31 A 14 THR HG2% A 5 ASN H 1.0 . 3.88 34 32 A 4 HIS HA A 6 GLN H 1.0 . 3.92 35 33 A 4 HIS HB3 A 6 GLN H 1.0 . 3.53 36 34 A 6 GLN H A 5 ASN HA 1.0 . 3.47 37 35 A 5 ASN HB3 A 6 GLN H 1.0 . 4.93 38 36 A 6 GLN H A 14 THR HA 1.0 . 4.91 39 37 A 6 GLN H A 38 ARG HB2 1.0 . 4.06 40 38 A 6 GLN HE21 A 12 PRO HA 1.0 . 3.77 41 39 A 6 GLN HE21 A 12 PRO HG3 1.0 . 3.88 42 40 A 12 PRO HA A 6 GLN HE22 1.0 . 3.64 43 41 A 6 GLN HA A 7 GLN H 1.0 . 2.44 44 42 A 7 GLN H A 10 GLN HB3 1.0 . 4.60 45 43 A 7 GLN HA A 8 SER H 1.0 . 2.86 46 44 A 8 SER H A 8 SER HA 1.0 . 2.56 47 45 A 8 SER H A 8 SER HB2 1.0 . 3.65 48 46 A 8 SER H A 36 ILE H 1.0 . 3.08 49 47 A 8 SER H A 36 ILE HB 1.0 . 2.76 50 48 A 8 SER H A 36 ILE HD1% 1.0 . 3.87 51 49 A 8 SER H A 36 ILE HG2% 1.0 . 3.64 52 50 A 8 SER HA A 9 SER H 1.0 . 3.26 53 51 A 9 SER H A 8 SER HB3 1.0 . 2.40 54 52 A 9 SER H A 10 GLN H 1.0 . 2.82 55 53 A 10 GLN H A 9 SER HA 1.0 . 3.55 56 54 A 10 GLN H A 10 GLN HB2 1.0 . 2.74 57 55 A 10 GLN HB3 A 10 GLN H 1.0 . 3.53 58 56 A 6 GLN H A 13 THR H 1.0 . 3.63 59 57 A 13 THR H A 6 GLN HE21 1.0 . 3.92 60 58 A 13 THR H A 12 PRO HA 1.0 . 2.40 61 59 A 13 THR H A 13 THR HB 1.0 . 3.80 62 60 A 13 THR H A 13 THR HG2% 1.0 . 3.21 63 61 A 14 THR HG2% A 13 THR H 1.0 . 4.40 64 62 A 13 THR HA A 14 THR H 1.0 . 2.89 65 63 A 13 THR HB A 14 THR H 1.0 . 2.44 66 64 A 13 THR HG2% A 14 THR H 1.0 . 3.33 67 65 A 14 THR HB A 14 THR H 1.0 . 3.59 68 66 A 14 THR HG2% A 14 THR H 1.0 . 3.37 69 67 A 4 HIS HA A 15 LYS H 1.0 . 3.96 70 68 A 5 ASN HB3 A 15 LYS H 1.0 . 3.88 71 69 A 14 THR HA A 15 LYS H 1.0 . 2.49 72 70 A 14 THR HB A 15 LYS H 1.0 . 2.66 73 71 A 14 THR HG2% A 15 LYS H 1.0 . 3.53 74 72 A 15 LYS HA A 16 THR H 1.0 . 2.59 75 73 A 16 THR H A 16 THR HB 1.0 . 2.56 76 74 A 1 LEU HB3 A 17 CYS H 1.0 . 4.27 77 75 A 2 GLU HA A 17 CYS H 1.0 . 3.29 78 76 A 16 THR HA A 17 CYS H 1.0 . 2.37 79 77 A 17 CYS H A 16 THR HG2% 1.0 . 2.93 80 78 A 17 CYS H A 17 CYS HB2 1.0 . 2.87 81 79 A 17 CYS H A 17 CYS HB3 1.0 . 3.71 82 80 A 17 CYS HA A 18 SER H 1.0 . 2.68 83 81 A 17 CYS HB2 A 18 SER H 1.0 . 4.16 84 82 A 17 CYS HB3 A 18 SER H 1.0 . 3.46 85 83 A 18 SER H A 40 CYS HB3 1.0 . 5.06 86 84 A 18 SER HA A 19 GLY H 1.0 . 2.78 87 85 A 19 GLY H A 19 GLY HA2 1.0 . 2.86 88 86 A 17 CYS HB2 A 20 GLU H 1.0 . 3.93 89 87 A 17 CYS HB3 A 20 GLU H 1.0 . 3.51 90 88 A 18 SER H A 20 GLU H 1.0 . 3.98 91 89 A 19 GLY H A 20 GLU H 1.0 . 3.06 92 90 A 20 GLU H A 19 GLY HA3 1.0 . 3.57 93 91 A 20 GLU H A 20 GLU HB2 1.0 . 2.83 94 92 A 20 GLU H A 20 GLU HB3 1.0 . 3.76 95 93 A 20 GLU H A 21 THR H 1.0 . 4.47 96 94 A 21 THR H A 1 LEU HD2% 1.0 . 4.37 97 95 A 21 THR H A 20 GLU HA 1.0 . 2.55 98 96 A 20 GLU HB2 A 21 THR H 1.0 . 4.01 99 97 A 20 GLU HB3 A 21 THR H 1.0 . 3.03 100 98 A 21 THR H A 21 THR HG2% 1.0 . 2.96 101 99 A 21 THR H A 22 ASN HB2 1.0 . 3.85 102 100 A 21 THR H A 22 ASN HD21 1.0 . 4.28 103 101 A 1 LEU HD2% A 22 ASN H 1.0 . 3.23 104 102 A 20 GLU HA A 22 ASN H 1.0 . 3.86 105 103 A 20 GLU HB2 A 22 ASN H 1.0 . 4.10 106 104 A 20 GLU HB3 A 22 ASN H 1.0 . 3.04 107 105 A 21 THR H A 22 ASN H 1.0 . 2.46 108 106 A 22 ASN H A 21 THR HA 1.0 . 3.11 109 107 A 21 THR HG2% A 22 ASN H 1.0 . 4.36 110 108 A 22 ASN HB2 A 22 ASN H 1.0 . 2.91 111 109 A 22 ASN H A 22 ASN HD22 1.0 . 4.02 112 110 A 22 ASN H A 41 GLY H 1.0 . 3.57 113 111 A 22 ASN H A 41 GLY HA2 1.0 . 3.91 114 112 A 22 ASN HD21 A 21 THR HB 1.0 . 4.28 115 113 A 21 THR HG2% A 22 ASN HD21 1.0 . 4.88 116 114 A 22 ASN HD21 A 22 ASN H 1.0 . 4.44 117 115 A 22 ASN HD21 A 22 ASN HA 1.0 . 4.19 118 116 A 22 ASN HB2 A 22 ASN HD21 1.0 . 3.55 119 117 A 22 ASN HD21 A 42 CYS HB2 1.0 . 4.50 120 118 A 22 ASN HD21 A 42 CYS HB3 1.0 . 4.47 121 119 A 22 ASN HD21 A 55 ARG HG2 1.0 . 4.66 122 120 A 22 ASN HD21 A 55 ARG HG3 1.0 . 5.32 123 121 A 22 ASN HD22 A 21 THR HB 1.0 . 4.27 124 122 A 21 THR HG2% A 22 ASN HD22 1.0 . 5.03 125 123 A 22 ASN HD22 A 22 ASN HA 1.0 . 4.54 126 124 A 22 ASN HD22 A 55 ARG HG2 1.0 . 4.58 127 125 A 22 ASN HD22 A 55 ARG HG3 1.0 . 4.90 128 126 A 1 LEU HD2% A 23 CYS H 1.0 . 3.55 129 127 A 22 ASN H A 23 CYS H 1.0 . 4.44 130 128 A 22 ASN HA A 23 CYS H 1.0 . 2.54 131 129 A 22 ASN HB2 A 23 CYS H 1.0 . 3.81 132 130 A 23 CYS H A 22 ASN HB3 1.0 . 3.04 133 131 A 23 CYS H A 23 CYS HB3 1.0 . 3.91 134 132 A 23 CYS H A 53 CYS HA 1.0 . 4.90 135 133 A 23 CYS H A 53 CYS HB3 1.0 . 4.69 136 134 A 23 CYS H A 54 CYS H 1.0 . 3.13 137 135 A 23 CYS H A 55 ARG HA 1.0 . 3.63 138 136 A 23 CYS HA A 24 TYR H 1.0 . 2.71 139 137 A 24 TYR H A 23 CYS HB2 1.0 . 3.96 140 138 A 23 CYS HB3 A 24 TYR H 1.0 . 3.13 141 139 A 24 TYR H A 24 TYR HB2 1.0 . 3.93 142 140 A 24 TYR H A 24 TYR HB3 1.0 . 3.47 143 141 A 24 TYR H A 24 TYR HD% 1.0 . 3.06 144 142 A 24 TYR H A 40 CYS HA 1.0 . 4.03 145 143 A 24 TYR H A 42 CYS HA 1.0 . 4.34 146 144 A 24 TYR H A 60 ASN HB3 1.0 . 4.13 147 145 A 24 TYR H A 60 ASN HD21 1.0 . 3.62 148 146 A 24 TYR HA A 25 LYS H 1.0 . 2.47 149 147 A 24 TYR HB2 A 25 LYS H 1.0 . 2.99 150 148 A 24 TYR HB3 A 25 LYS H 1.0 . 4.25 151 149 A 24 TYR HD% A 25 LYS H 1.0 . 3.66 152 150 A 25 LYS H A 25 LYS HB2 1.0 . 3.41 153 151 A 25 LYS H A 25 LYS HB3 1.0 . 3.05 154 152 A 25 LYS H A 51 LEU HA 1.0 . 3.94 155 153 A 25 LYS H A 51 LEU HD1% 1.0 . 3.41 156 154 A 25 LYS H A 52 ASN H 1.0 . 3.12 157 155 A 53 CYS HA A 25 LYS H 1.0 . 4.24 158 156 A 24 TYR HD% A 26 LYS H 1.0 . 3.33 159 157 A 25 LYS H A 26 LYS H 1.0 . 4.13 160 158 A 26 LYS H A 25 LYS HA 1.0 . 2.41 161 159 A 25 LYS HB2 A 26 LYS H 1.0 . 4.13 162 160 A 36 ILE HG2% A 26 LYS H 1.0 . 3.48 163 161 A 26 LYS H A 38 ARG HA 1.0 . 3.80 164 162 A 26 LYS HA A 27 TRP H 1.0 . 2.46 165 163 A 27 TRP H A 27 TRP HB2 1.0 . 4.16 166 164 A 27 TRP H A 27 TRP HB3 1.0 . 3.79 167 165 A 27 TRP H A 27 TRP HE3 1.0 . 2.97 168 166 A 27 TRP H A 28 TRP HB3 1.0 . 4.48 169 167 A 27 TRP H A 49 VAL HA 1.0 . 4.56 170 168 A 27 TRP H A 50 ASN H 1.0 . 3.42 171 169 A 27 TRP H A 50 ASN HA 1.0 . 4.58 172 170 A 27 TRP H A 50 ASN HB2 1.0 . 3.34 173 171 A 51 LEU HA A 27 TRP H 1.0 . 4.08 174 172 A 50 ASN HB2 A 27 TRP HE1 1.0 . 3.95 175 173 A 27 TRP HE1 A 50 ASN HB3 1.0 . 4.08 176 174 A 27 TRP HE1 A 50 ASN HD21 1.0 . 3.84 177 175 A 27 TRP HE1 A 50 ASN HD22 1.0 . 4.05 178 176 A 27 TRP HA A 28 TRP H 1.0 . 2.50 179 177 A 27 TRP HB2 A 28 TRP H 1.0 . 3.03 180 178 A 27 TRP HB3 A 28 TRP H 1.0 . 4.06 181 179 A 28 TRP H A 27 TRP HD1 1.0 . 3.99 182 180 A 28 TRP H A 28 TRP HB2 1.0 . 4.01 183 181 A 28 TRP HB3 A 28 TRP H 1.0 . 3.53 184 182 A 28 TRP H A 28 TRP HE3 1.0 . 4.42 185 183 A 28 TRP H A 34 THR HG2% 1.0 . 3.40 186 184 A 28 TRP H A 35 ILE HB 1.0 . 3.68 187 185 A 35 ILE HB A 28 TRP HE1 1.0 . 3.96 188 186 A 28 TRP HE1 A 35 ILE HG13 1.0 . 4.09 189 187 A 28 TRP HA A 29 SER H 1.0 . 2.56 190 188 A 28 TRP HB2 A 29 SER H 1.0 . 2.44 191 189 A 28 TRP HB3 A 29 SER H 1.0 . 3.79 192 190 A 29 SER H A 28 TRP HD1 1.0 . 3.75 193 191 A 29 SER H A 34 THR HA 1.0 . 4.79 194 192 A 29 SER HA A 30 ASP H 1.0 . 2.42 195 193 A 30 ASP HA A 32 ARG H 1.0 . 4.20 196 194 A 32 ARG H A 31 HIS HA 1.0 . 3.37 197 195 A 32 ARG H A 32 ARG HB2 1.0 . 3.08 198 196 A 32 ARG H A 33 GLY H 1.0 . 2.80 199 197 A 29 SER HA A 33 GLY H 1.0 . 4.97 200 198 A 30 ASP H A 33 GLY H 1.0 . 3.33 201 199 A 31 HIS HA A 33 GLY H 1.0 . 4.48 202 200 A 32 ARG HB2 A 33 GLY H 1.0 . 4.15 203 201 A 33 GLY H A 34 THR H 1.0 . 4.27 204 202 A 34 THR H A 33 GLY HA2 1.0 . 2.67 205 203 A 34 THR H A 33 GLY HA3 1.0 . 2.97 206 204 A 34 THR H A 34 THR HB 1.0 . 2.66 207 205 A 34 THR HG2% A 34 THR H 1.0 . 3.85 208 206 A 34 THR H A 35 ILE H 1.0 . 4.61 209 207 A 29 SER HA A 35 ILE H 1.0 . 3.40 210 208 A 34 THR HA A 35 ILE H 1.0 . 2.62 211 209 A 34 THR HB A 35 ILE H 1.0 . 4.47 212 210 A 34 THR HG2% A 35 ILE H 1.0 . 2.94 213 211 A 35 ILE HB A 35 ILE H 1.0 . 2.87 214 212 A 35 ILE H A 35 ILE HG12 1.0 . 3.53 215 213 A 35 ILE HG13 A 35 ILE H 1.0 . 3.47 216 214 A 35 ILE H A 35 ILE HD1% 1.0 . 3.92 217 215 A 35 ILE H A 35 ILE HG2% 1.0 . 3.72 218 216 A 36 ILE H A 8 SER HB3 1.0 . 3.87 219 217 A 36 ILE H A 35 ILE HA 1.0 . 2.32 220 218 A 36 ILE H A 35 ILE HB 1.0 . 4.17 221 219 A 36 ILE H A 35 ILE HG12 1.0 . 4.55 222 220 A 36 ILE H A 35 ILE HD1% 1.0 . 4.89 223 221 A 36 ILE H A 35 ILE HG2% 1.0 . 2.81 224 222 A 36 ILE H A 36 ILE HB 1.0 . 3.01 225 223 A 36 ILE H A 36 ILE HD1% 1.0 . 4.00 226 224 A 36 ILE H A 37 GLU H 1.0 . 4.24 227 225 A 27 TRP HA A 37 GLU H 1.0 . 3.66 228 226 A 27 TRP HB3 A 37 GLU H 1.0 . 4.41 229 227 A 37 GLU H A 28 TRP HH2 1.0 . 4.32 230 228 A 37 GLU H A 28 TRP HZ3 1.0 . 3.71 231 229 A 37 GLU H A 36 ILE HA 1.0 . 2.40 232 230 A 36 ILE HB A 37 GLU H 1.0 . 4.22 233 231 A 36 ILE HG2% A 37 GLU H 1.0 . 2.83 234 232 A 37 GLU H A 38 ARG H 1.0 . 4.39 235 233 A 37 GLU H A 38 ARG HG2 1.0 . 4.60 236 234 A 38 ARG H A 37 GLU HA 1.0 . 2.39 237 235 A 38 ARG HB2 A 38 ARG H 1.0 . 3.07 238 236 A 38 ARG H A 38 ARG HB3 1.0 . 3.92 239 237 A 38 ARG H A 38 ARG HG2 1.0 . 4.60 240 238 A 38 ARG H A 38 ARG HG3 1.0 . 3.61 241 239 A 24 TYR H A 39 GLY H 1.0 . 3.48 242 240 A 24 TYR HD% A 39 GLY H 1.0 . 3.83 243 241 A 39 GLY H A 24 TYR HE% 1.0 . 4.47 244 242 A 25 LYS HA A 39 GLY H 1.0 . 4.29 245 243 A 38 ARG H A 39 GLY H 1.0 . 4.56 246 244 A 38 ARG HA A 39 GLY H 1.0 . 2.63 247 245 A 38 ARG HB2 A 39 GLY H 1.0 . 4.33 248 246 A 38 ARG HB3 A 39 GLY H 1.0 . 3.56 249 247 A 60 ASN HD21 A 39 GLY H 1.0 . 3.09 250 248 A 24 TYR HE% A 40 CYS H 1.0 . 4.32 251 249 A 40 CYS H A 39 GLY HA2 1.0 . 3.01 252 250 A 40 CYS H A 39 GLY HA3 1.0 . 2.56 253 251 A 40 CYS H A 40 CYS HB2 1.0 . 2.71 254 252 A 40 CYS HB3 A 40 CYS H 1.0 . 3.34 255 253 A 1 LEU HD2% A 41 GLY H 1.0 . 4.08 256 254 A 20 GLU HB2 A 41 GLY H 1.0 . 4.02 257 255 A 20 GLU HB3 A 41 GLY H 1.0 . 3.54 258 256 A 41 GLY H A 23 CYS HA 1.0 . 3.18 259 257 A 41 GLY H A 24 TYR HD% 1.0 . 4.02 260 258 A 41 GLY H A 40 CYS H 1.0 . 4.51 261 259 A 41 GLY H A 40 CYS HA 1.0 . 2.66 262 260 A 41 GLY H A 40 CYS HB2 1.0 . 4.37 263 261 A 40 CYS HB3 A 41 GLY H 1.0 . 3.51 264 262 A 41 GLY H A 41 GLY HA2 1.0 . 2.81 265 263 A 41 GLY H A 42 CYS H 1.0 . 4.60 266 264 A 24 TYR HD% A 42 CYS H 1.0 . 4.94 267 265 A 41 GLY HA2 A 42 CYS H 1.0 . 2.89 268 266 A 42 CYS H A 41 GLY HA3 1.0 . 2.72 269 267 A 42 CYS HB2 A 42 CYS H 1.0 . 3.70 270 268 A 42 CYS HB3 A 42 CYS H 1.0 . 3.46 271 269 A 42 CYS H A 43 PRO HD2 1.0 . 4.18 272 270 A 42 CYS H A 43 PRO HD3 1.0 . 3.62 273 271 A 43 PRO HA A 44 LYS H 1.0 . 2.45 274 272 A 44 LYS H A 43 PRO HB3 1.0 . 3.57 275 273 A 44 LYS H A 43 PRO HG2 1.0 . 4.82 276 274 A 44 LYS H A 45 VAL H 1.0 . 4.59 277 275 A 44 LYS H A 45 VAL HG1% 1.0 . 4.30 278 276 A 44 LYS H A 51 LEU HD2% 1.0 . 4.66 279 277 A 45 VAL H A 44 LYS HA 1.0 . 2.29 280 278 A 45 VAL H A 45 VAL HA 1.0 . 2.92 281 279 A 45 VAL H A 45 VAL HB 1.0 . 3.57 282 280 A 45 VAL H A 51 LEU HD2% 1.0 . 3.92 283 281 A 46 LYS H A 46 LYS HB2 1.0 . 2.70 284 282 A 46 LYS H A 46 LYS HB3 1.0 . 3.40 285 283 A 46 LYS H A 47 PRO HD2 1.0 . 4.73 286 284 A 46 LYS H A 47 PRO HD3 1.0 . 4.61 287 285 A 46 LYS H A 49 VAL HG2% 1.0 . 3.36 288 286 A 47 PRO HA A 48 GLY H 1.0 . 2.37 289 287 A 48 GLY H A 47 PRO HB2 1.0 . 3.98 290 288 A 48 GLY H A 47 PRO HB3 1.0 . 3.64 291 289 A 48 GLY H A 48 GLY HA2 1.0 . 2.59 292 290 A 49 VAL HG2% A 48 GLY H 1.0 . 4.53 293 291 A 45 VAL HG2% A 49 VAL H 1.0 . 3.73 294 292 A 46 LYS H A 49 VAL H 1.0 . 4.58 295 293 A 48 GLY H A 49 VAL H 1.0 . 2.93 296 294 A 49 VAL H A 48 GLY HA3 1.0 . 3.44 297 295 A 49 VAL H A 49 VAL HB 1.0 . 2.61 298 296 A 49 VAL H A 49 VAL HG1% 1.0 . 3.65 299 297 A 49 VAL HG2% A 49 VAL H 1.0 . 2.87 300 298 A 50 ASN H A 49 VAL H 1.0 . 4.75 301 299 A 50 ASN H A 28 TRP HA 1.0 . 3.85 302 300 A 50 ASN H A 28 TRP HB2 1.0 . 4.43 303 301 A 28 TRP HB3 A 50 ASN H 1.0 . 3.80 304 302 A 49 VAL HA A 50 ASN H 1.0 . 2.41 305 303 A 50 ASN H A 49 VAL HB 1.0 . 3.68 306 304 A 50 ASN H A 49 VAL HG1% 1.0 . 2.96 307 305 A 50 ASN H A 49 VAL HG2% 1.0 . 4.37 308 306 A 50 ASN H A 50 ASN HB2 1.0 . 2.90 309 307 A 50 ASN H A 50 ASN HD21 1.0 . 3.37 310 308 A 50 ASN H A 50 ASN HD22 1.0 . 4.10 311 309 A 50 ASN HD21 A 27 TRP HD1 1.0 . 4.43 312 310 A 50 ASN HD21 A 28 TRP HA 1.0 . 3.75 313 311 A 28 TRP HB3 A 50 ASN HD21 1.0 . 4.69 314 312 A 49 VAL HA A 50 ASN HD21 1.0 . 4.37 315 313 A 50 ASN HB2 A 50 ASN HD21 1.0 . 3.08 316 314 A 50 ASN HD22 A 28 TRP HA 1.0 . 3.99 317 315 A 50 ASN HB2 A 50 ASN HD22 1.0 . 3.62 318 316 A 50 ASN HA A 51 LEU H 1.0 . 2.44 319 317 A 50 ASN HB3 A 51 LEU H 1.0 . 3.32 320 318 A 51 LEU H A 51 LEU HB2 1.0 . 3.27 321 319 A 51 LEU H A 51 LEU HB3 1.0 . 2.86 322 320 A 51 LEU H A 51 LEU HG 1.0 . 4.54 323 321 A 51 LEU HD1% A 51 LEU H 1.0 . 4.46 324 322 A 52 ASN H A 51 LEU H 1.0 . 4.28 325 323 A 24 TYR HA A 52 ASN H 1.0 . 4.69 326 324 A 25 LYS HB3 A 52 ASN H 1.0 . 3.88 327 325 A 52 ASN H A 26 LYS HA 1.0 . 4.02 328 326 A 52 ASN H A 27 TRP HZ3 1.0 . 3.33 329 327 A 52 ASN H A 51 LEU HB2 1.0 . 3.91 330 328 A 52 ASN H A 51 LEU HB3 1.0 . 4.15 331 329 A 52 ASN H A 51 LEU HG 1.0 . 3.32 332 330 A 51 LEU HD1% A 52 ASN H 1.0 . 3.03 333 331 A 52 ASN HA A 52 ASN HD21 1.0 . 4.10 334 332 A 52 ASN HA A 52 ASN HD22 1.0 . 4.73 335 333 A 52 ASN HD22 A 54 CYS HB3 1.0 . 4.40 336 334 A 51 LEU HG A 53 CYS H 1.0 . 4.50 337 335 A 51 LEU HD1% A 53 CYS H 1.0 . 4.40 338 336 A 52 ASN HA A 53 CYS H 1.0 . 2.38 339 337 A 52 ASN HD21 A 53 CYS H 1.0 . 4.44 340 338 A 53 CYS H A 53 CYS HB2 1.0 . 3.06 341 339 A 53 CYS HB3 A 53 CYS H 1.0 . 4.08 342 340 A 22 ASN HA A 54 CYS H 1.0 . 4.18 343 341 A 22 ASN HB2 A 54 CYS H 1.0 . 4.77 344 342 A 22 ASN HB3 A 54 CYS H 1.0 . 3.88 345 343 A 54 CYS H A 24 TYR HA 1.0 . 3.91 346 344 A 54 CYS H A 53 CYS H 1.0 . 4.48 347 345 A 54 CYS H A 53 CYS HB2 1.0 . 4.00 348 346 A 53 CYS HB3 A 54 CYS H 1.0 . 3.40 349 347 A 54 CYS H A 54 CYS HB3 1.0 . 3.77 350 348 A 54 CYS HA A 55 ARG H 1.0 . 2.58 351 349 A 55 ARG H A 54 CYS HB2 1.0 . 2.92 352 350 A 54 CYS HB3 A 55 ARG H 1.0 . 3.61 353 351 A 55 ARG H A 55 ARG HB2 1.0 . 2.85 354 352 A 55 ARG H A 55 ARG HB3 1.0 . 3.73 355 353 A 55 ARG HG3 A 55 ARG H 1.0 . 3.19 356 354 A 55 ARG H A 56 THR H 1.0 . 3.00 357 355 A 55 ARG H A 56 THR HG2% 1.0 . 3.88 358 356 A 1 LEU HD1% A 56 THR H 1.0 . 3.83 359 357 A 1 LEU HD2% A 56 THR H 1.0 . 4.54 360 358 A 54 CYS HA A 56 THR H 1.0 . 4.51 361 359 A 54 CYS HB2 A 56 THR H 1.0 . 3.96 362 360 A 54 CYS HB3 A 56 THR H 1.0 . 4.91 363 361 A 55 ARG HA A 56 THR H 1.0 . 3.31 364 362 A 55 ARG HB2 A 56 THR H 1.0 . 4.29 365 363 A 55 ARG HB3 A 56 THR H 1.0 . 4.56 366 364 A 56 THR H A 56 THR HB 1.0 . 3.78 367 365 A 56 THR H A 56 THR HG2% 1.0 . 3.15 368 366 A 56 THR H A 59 CYS HB2 1.0 . 3.96 369 367 A 56 THR H A 59 CYS HB3 1.0 . 3.30 370 368 A 1 LEU HD1% A 57 ASP H 1.0 . 3.35 371 369 A 2 GLU H A 57 ASP H 1.0 . 5.26 372 370 A 56 THR HB A 57 ASP H 1.0 . 2.96 373 371 A 56 THR HG2% A 57 ASP H 1.0 . 3.65 374 372 A 57 ASP H A 57 ASP HB2 1.0 . 2.98 375 373 A 57 ASP HB3 A 57 ASP H 1.0 . 3.47 376 374 A 58 ARG H A 57 ASP H 1.0 . 4.55 377 375 A 1 LEU HG A 58 ARG H 1.0 . 4.54 378 376 A 1 LEU HD1% A 58 ARG H 1.0 . 3.87 379 377 A 58 ARG H A 2 GLU HB2 1.0 . 3.74 380 377 A 2 GLU HB3 A 58 ARG H 1.0 . 3.74 381 378 A 58 ARG H A 3 CYS HA 1.0 . 3.32 382 379 A 58 ARG H A 4 HIS HD2 1.0 . 4.84 383 380 A 58 ARG H A 57 ASP HA 1.0 . 3.51 384 381 A 58 ARG H A 57 ASP HB2 1.0 . 4.01 385 382 A 57 ASP HB3 A 58 ARG H 1.0 . 3.49 386 383 A 58 ARG H A 58 ARG HA 1.0 . 2.58 387 384 A 58 ARG H A 58 ARG HB2 1.0 . 3.98 388 385 A 58 ARG H A 58 ARG HG2 1.0 . 3.74 389 386 A 58 ARG H A 58 ARG HG3 1.0 . 3.17 390 387 A 1 LEU HD1% A 59 CYS H 1.0 . 4.30 391 388 A 3 CYS HA A 59 CYS H 1.0 . 4.62 392 389 A 56 THR H A 59 CYS H 1.0 . 4.30 393 390 A 58 ARG H A 59 CYS H 1.0 . 3.16 394 391 A 58 ARG HA A 59 CYS H 1.0 . 3.29 395 392 A 58 ARG HB2 A 59 CYS H 1.0 . 4.47 396 393 A 59 CYS HB2 A 59 CYS H 1.0 . 3.63 397 394 A 59 CYS HB3 A 59 CYS H 1.0 . 2.85 398 395 A 4 HIS H A 60 ASN H 1.0 . 4.36 399 396 A 4 HIS HD2 A 60 ASN H 1.0 . 3.61 400 397 A 23 CYS HB2 A 60 ASN H 1.0 . 4.29 401 398 A 23 CYS HB3 A 60 ASN H 1.0 . 4.30 402 399 A 58 ARG HA A 60 ASN H 1.0 . 3.74 403 400 A 59 CYS H A 60 ASN H 1.0 . 3.20 404 401 A 59 CYS HB2 A 60 ASN H 1.0 . 4.30 405 402 A 59 CYS HB3 A 60 ASN H 1.0 . 4.58 406 403 A 60 ASN H A 60 ASN HB2 1.0 . 3.93 407 404 A 60 ASN HB3 A 60 ASN H 1.0 . 3.23 408 405 A 60 ASN H A 61 ASN H 1.0 . 3.45 409 406 A 3 CYS HB3 A 60 ASN HD21 1.0 . 3.67 410 407 A 4 HIS H A 60 ASN HD21 1.0 . 3.94 411 408 A 23 CYS HB3 A 60 ASN HD21 1.0 . 3.68 412 409 A 38 ARG HB2 A 60 ASN HD21 1.0 . 4.02 413 410 A 60 ASN HD21 A 38 ARG HB3 1.0 . 3.24 414 411 A 60 ASN HD21 A 60 ASN HB2 1.0 . 2.96 415 412 A 60 ASN HB3 A 60 ASN HD21 1.0 . 3.52 416 413 A 3 CYS HA A 60 ASN HD22 1.0 . 3.82 417 414 A 3 CYS HB2 A 60 ASN HD22 1.0 . 3.84 418 415 A 3 CYS HB3 A 60 ASN HD22 1.0 . 3.09 419 416 A 60 ASN HD22 A 23 CYS HB3 1.0 . 3.65 420 417 A 60 ASN HD22 A 24 TYR H 1.0 . 3.87 421 418 A 60 ASN HD22 A 38 ARG HB2 1.0 . 3.76 422 419 A 60 ASN HD22 A 38 ARG HB3 1.0 . 3.13 423 420 A 60 ASN HD22 A 39 GLY H 1.0 . 3.37 424 421 A 60 ASN HD22 A 60 ASN HB2 1.0 . 3.47 425 422 A 4 HIS HD2 A 61 ASN H 1.0 . 3.64 426 423 A 61 ASN H A 59 CYS HA 1.0 . 4.34 427 424 A 61 ASN H A 60 ASN HA 1.0 . 3.64 428 425 A 1 LEU HA A 1 LEU HG 1.0 . 3.56 429 426 A 1 LEU HA A 1 LEU HD1% 1.0 . 2.71 430 427 A 1 LEU HA A 1 LEU HD2% 1.0 . 4.01 431 428 A 1 LEU HA A 57 ASP HA 1.0 . 4.01 432 429 A 1 LEU HD1% A 1 LEU HB2 1.0 . 2.99 433 430 A 2 GLU H A 1 LEU HB2 1.0 . 4.16 434 431 A 1 LEU HB3 A 1 LEU HD2% 1.0 . 2.76 435 432 A 2 GLU H A 1 LEU HB3 1.0 . 4.14 436 433 A 1 LEU HB3 A 17 CYS HB2 1.0 . 3.57 437 434 A 1 LEU HG A 57 ASP HA 1.0 . 3.92 438 435 A 1 LEU HD1% A 55 ARG HA 1.0 . 3.97 439 436 A 1 LEU HD1% A 57 ASP HA 1.0 . 2.12 440 437 A 1 LEU HD1% A 56 THR HA 1.0 . 3.90 441 438 A 1 LEU HD1% A 57 ASP HB3 1.0 . 4.43 442 439 A 20 GLU HB2 A 1 LEU HD2% 1.0 . 4.03 443 440 A 20 GLU HB3 A 1 LEU HD2% 1.0 . 5.31 444 441 A 1 LEU HD2% A 21 THR HA 1.0 . 3.05 445 442 A 1 LEU HD2% A 55 ARG HA 1.0 . 3.76 446 443 A 1 LEU HD2% A 56 THR HA 1.0 . 4.52 447 444 A 2 GLU HA A 2 GLU HB2 1.0 . 2.77 448 444 A 2 GLU HB3 A 2 GLU HA 1.0 . 2.77 449 445 A 2 GLU HA A 16 THR HA 1.0 . 2.69 450 446 A 2 GLU HA A 16 THR HG2% 1.0 . 3.79 451 447 A 14 THR HG2% A 2 GLU HB2 1.0 . 3.35 452 447 A 2 GLU HB3 A 14 THR HG2% 1.0 . 3.35 453 448 A 16 THR HA A 2 GLU HB2 1.0 . 4.22 454 448 A 2 GLU HB3 A 16 THR HA 1.0 . 4.22 455 449 A 57 ASP HA A 2 GLU HB2 1.0 . 4.09 456 449 A 2 GLU HB3 A 57 ASP HA 1.0 . 4.09 457 450 A 3 CYS HB2 A 23 CYS HB3 1.0 . 3.97 458 451 A 3 CYS HB3 A 3 CYS HA 1.0 . 2.89 459 452 A 3 CYS HB3 A 23 CYS HB2 1.0 . 3.63 460 453 A 3 CYS HB3 A 40 CYS HA 1.0 . 3.99 461 454 A 4 HIS HB3 A 4 HIS HA 1.0 . 2.79 462 455 A 4 HIS HA A 14 THR HA 1.0 . 2.48 463 456 A 14 THR HG2% A 4 HIS HA 1.0 . 2.76 464 457 A 4 HIS HB2 A 4 HIS HD2 1.0 . 3.31 465 458 A 4 HIS HB2 A 60 ASN HD22 1.0 . 3.50 466 459 A 4 HIS HB2 A 61 ASN HA 1.0 . 3.77 467 460 A 5 ASN HB2 A 5 ASN HA 1.0 . 2.88 468 461 A 5 ASN HB3 A 5 ASN HA 1.0 . 2.82 469 462 A 5 ASN HB3 A 39 GLY HA2 1.0 . 3.53 470 463 A 8 SER HA A 8 SER HB3 1.0 . 2.70 471 464 A 8 SER HA A 36 ILE H 1.0 . 3.01 472 465 A 8 SER HB2 A 10 GLN H 1.0 . 4.13 473 466 A 10 GLN HB3 A 10 GLN HA 1.0 . 2.85 474 467 A 10 GLN HA A 11 PRO HD2 1.0 . 3.21 475 468 A 10 GLN HA A 11 PRO HD3 1.0 . 2.38 476 469 A 7 GLN H A 10 GLN HB2 1.0 . 3.68 477 470 A 10 GLN HB2 A 11 PRO HD2 1.0 . 3.02 478 471 A 10 GLN HB2 A 11 PRO HD3 1.0 . 3.53 479 472 A 10 GLN HB3 A 11 PRO HD2 1.0 . 2.84 480 473 A 10 GLN HB3 A 11 PRO HD3 1.0 . 3.39 481 474 A 11 PRO HA A 12 PRO HD2 1.0 . 2.72 482 475 A 11 PRO HA A 12 PRO HD3 1.0 . 2.55 483 476 A 10 GLN HA A 11 PRO HG3 1.0 . 4.93 484 477 A 4 HIS HE1 A 12 PRO HB2 1.0 . 3.16 485 478 A 13 THR H A 12 PRO HB2 1.0 . 4.00 486 479 A 4 HIS HE1 A 12 PRO HB3 1.0 . 3.22 487 480 A 6 GLN HE21 A 12 PRO HB3 1.0 . 4.18 488 481 A 6 GLN HE22 A 12 PRO HB3 1.0 . 3.96 489 482 A 13 THR H A 12 PRO HB3 1.0 . 3.62 490 483 A 12 PRO HD2 A 11 PRO HB3 1.0 . 3.68 491 484 A 12 PRO HD3 A 11 PRO HB3 1.0 . 3.74 492 485 A 12 PRO HG3 A 11 PRO HA 1.0 . 4.67 493 486 A 13 THR HB A 13 THR HA 1.0 . 2.75 494 487 A 12 PRO HA A 13 THR HG2% 1.0 . 4.12 495 488 A 13 THR HG2% A 13 THR HA 1.0 . 2.77 496 489 A 14 THR HB A 14 THR HA 1.0 . 2.70 497 490 A 14 THR HG2% A 14 THR HA 1.0 . 2.89 498 491 A 14 THR HB A 2 GLU HB2 1.0 . 3.81 499 491 A 2 GLU HB3 A 14 THR HB 1.0 . 3.81 500 492 A 14 THR HG2% A 4 HIS HE1 1.0 . 3.71 501 493 A 14 THR HG2% A 13 THR HA 1.0 . 4.01 502 494 A 14 THR HG2% A 58 ARG HD2 1.0 . 3.91 503 495 A 14 THR HG2% A 58 ARG HD3 1.0 . 3.60 504 496 A 16 THR HA A 16 THR HG2% 1.0 . 2.78 505 497 A 16 THR HG2% A 2 GLU HB2 1.0 . 4.79 506 497 A 2 GLU HB3 A 16 THR HG2% 1.0 . 4.79 507 498 A 16 THR H A 16 THR HG2% 1.0 . 3.77 508 499 A 17 CYS HB2 A 20 GLU HB2 1.0 . 3.73 509 500 A 17 CYS HB3 A 20 GLU HB2 1.0 . 3.13 510 501 A 17 CYS HB3 A 20 GLU HB3 1.0 . 3.40 511 502 A 20 GLU HB3 A 20 GLU HA 1.0 . 2.85 512 503 A 20 GLU HB3 A 41 GLY HA2 1.0 . 3.15 513 504 A 20 GLU HB3 A 41 GLY HA3 1.0 . 3.88 514 505 A 21 THR HG2% A 21 THR HA 1.0 . 2.58 515 506 A 1 LEU HD1% A 22 ASN HA 1.0 . 4.20 516 507 A 1 LEU HD2% A 22 ASN HA 1.0 . 3.39 517 508 A 22 ASN HA A 22 ASN HB3 1.0 . 2.95 518 509 A 22 ASN HA A 55 ARG HA 1.0 . 2.93 519 510 A 22 ASN HA A 55 ARG HG2 1.0 . 3.76 520 511 A 22 ASN HB2 A 41 GLY HA2 1.0 . 3.68 521 512 A 22 ASN HB2 A 42 CYS HB2 1.0 . 2.96 522 513 A 22 ASN HB2 A 42 CYS HB3 1.0 . 3.88 523 514 A 42 CYS HB2 A 22 ASN HB3 1.0 . 2.83 524 515 A 22 ASN HB3 A 53 CYS HA 1.0 . 4.18 525 516 A 3 CYS HB3 A 23 CYS HA 1.0 . 2.98 526 517 A 23 CYS HB3 A 23 CYS HA 1.0 . 2.46 527 518 A 23 CYS HA A 24 TYR HD% 1.0 . 3.57 528 519 A 23 CYS H A 23 CYS HB2 1.0 . 3.09 529 520 A 54 CYS H A 23 CYS HB2 1.0 . 3.99 530 521 A 3 CYS HA A 23 CYS HB3 1.0 . 3.80 531 522 A 3 CYS HB3 A 23 CYS HB3 1.0 . 3.17 532 523 A 23 CYS HB3 A 60 ASN HB2 1.0 . 3.42 533 524 A 23 CYS HB3 A 60 ASN HB3 1.0 . 3.06 534 525 A 24 TYR HB2 A 24 TYR HA 1.0 . 2.67 535 526 A 24 TYR HB3 A 24 TYR HA 1.0 . 2.78 536 527 A 24 TYR HD% A 24 TYR HA 1.0 . 3.72 537 528 A 42 CYS HA A 24 TYR HA 1.0 . 3.81 538 529 A 24 TYR HA A 51 LEU HD1% 1.0 . 3.76 539 530 A 53 CYS HA A 24 TYR HA 1.0 . 2.60 540 531 A 24 TYR HA A 60 ASN HB2 1.0 . 4.10 541 532 A 60 ASN HB3 A 24 TYR HA 1.0 . 3.91 542 533 A 24 TYR HB3 A 43 PRO HD3 1.0 . 3.43 543 534 A 24 TYR HD% A 25 LYS HA 1.0 . 3.56 544 535 A 25 LYS HB2 A 25 LYS HA 1.0 . 2.91 545 536 A 25 LYS HA A 38 ARG HA 1.0 . 3.04 546 537 A 25 LYS HB2 A 60 ASN HA 1.0 . 3.95 547 538 A 25 LYS HB2 A 60 ASN HB2 1.0 . 3.06 548 539 A 60 ASN HB3 A 25 LYS HB2 1.0 . 4.50 549 540 A 25 LYS HB3 A 27 TRP HE3 1.0 . 3.85 550 541 A 25 LYS HB3 A 27 TRP HZ3 1.0 . 3.88 551 542 A 26 LYS HA A 27 TRP HE3 1.0 . 3.38 552 543 A 26 LYS HA A 45 VAL HG1% 1.0 . 4.10 553 544 A 26 LYS HA A 49 VAL HG1% 1.0 . 3.63 554 545 A 51 LEU HA A 26 LYS HA 1.0 . 2.67 555 546 A 26 LYS HA A 51 LEU HB2 1.0 . 3.88 556 547 A 51 LEU HD1% A 26 LYS HA 1.0 . 3.03 557 548 A 27 TRP HB2 A 27 TRP HA 1.0 . 2.76 558 549 A 27 TRP HB3 A 27 TRP HA 1.0 . 2.81 559 550 A 27 TRP HA A 28 TRP HE3 1.0 . 3.02 560 551 A 27 TRP HA A 28 TRP HZ3 1.0 . 4.00 561 552 A 27 TRP HA A 34 THR HG2% 1.0 . 4.26 562 553 A 27 TRP HB2 A 27 TRP HD1 1.0 . 3.08 563 554 A 27 TRP HB2 A 36 ILE HG12 1.0 . 3.09 564 555 A 27 TRP HB3 A 27 TRP HE3 1.0 . 3.33 565 556 A 27 TRP HD1 A 28 TRP HA 1.0 . 5.64 566 557 A 28 TRP HB2 A 28 TRP HA 1.0 . 2.69 567 558 A 28 TRP HB3 A 28 TRP HA 1.0 . 2.64 568 559 A 28 TRP HB2 A 28 TRP HD1 1.0 . 3.26 569 560 A 28 TRP HB3 A 28 TRP HD1 1.0 . 3.85 570 561 A 28 TRP HB3 A 28 TRP HE3 1.0 . 3.44 571 562 A 34 THR HA A 29 SER HA 1.0 . 2.83 572 563 A 34 THR HG2% A 29 SER HA 1.0 . 3.90 573 564 A 27 TRP HB2 A 34 THR HG2% 1.0 . 3.37 574 565 A 27 TRP HB3 A 34 THR HG2% 1.0 . 4.32 575 566 A 27 TRP HD1 A 34 THR HG2% 1.0 . 3.38 576 567 A 34 THR HG2% A 34 THR HA 1.0 . 3.25 577 568 A 35 ILE HG12 A 35 ILE HA 1.0 . 3.18 578 569 A 35 ILE HG13 A 35 ILE HA 1.0 . 3.26 579 570 A 35 ILE HB A 28 TRP HZ2 1.0 . 4.22 580 571 A 35 ILE HB A 35 ILE HG13 1.0 . 2.91 581 572 A 28 TRP HD1 A 35 ILE HD1% 1.0 . 4.17 582 573 A 35 ILE HD1% A 28 TRP HH2 1.0 . 4.19 583 574 A 35 ILE HD1% A 28 TRP HZ2 1.0 . 3.65 584 575 A 35 ILE HD1% A 35 ILE HA 1.0 . 3.55 585 576 A 35 ILE HB A 35 ILE HD1% 1.0 . 3.03 586 577 A 8 SER H A 35 ILE HG2% 1.0 . 4.37 587 578 A 28 TRP HE1 A 35 ILE HG2% 1.0 . 3.88 588 579 A 35 ILE HG2% A 28 TRP HH2 1.0 . 3.27 589 580 A 35 ILE HG2% A 28 TRP HZ2 1.0 . 3.38 590 581 A 35 ILE HG2% A 28 TRP HZ3 1.0 . 4.33 591 582 A 35 ILE HG2% A 35 ILE HA 1.0 . 3.15 592 583 A 35 ILE HG12 A 35 ILE HG2% 1.0 . 3.38 593 584 A 35 ILE HG13 A 35 ILE HG2% 1.0 . 3.23 594 585 A 35 ILE HG2% A 37 GLU H 1.0 . 4.15 595 586 A 27 TRP HA A 36 ILE HA 1.0 . 2.79 596 587 A 27 TRP HB2 A 36 ILE HA 1.0 . 3.68 597 588 A 27 TRP HB3 A 36 ILE HA 1.0 . 3.04 598 589 A 36 ILE HD1% A 36 ILE HA 1.0 . 3.81 599 590 A 7 GLN HA A 36 ILE HB 1.0 . 3.78 600 591 A 8 SER HA A 36 ILE HB 1.0 . 2.59 601 592 A 36 ILE HB A 36 ILE HD1% 1.0 . 2.80 602 593 A 8 SER HA A 36 ILE HG12 1.0 . 3.59 603 594 A 27 TRP HA A 36 ILE HG12 1.0 . 3.90 604 595 A 27 TRP HB3 A 36 ILE HG12 1.0 . 2.95 605 596 A 36 ILE H A 36 ILE HG12 1.0 . 3.64 606 597 A 36 ILE HA A 36 ILE HG12 1.0 . 3.02 607 598 A 8 SER HA A 36 ILE HG13 1.0 . 3.38 608 599 A 34 THR HG2% A 36 ILE HG13 1.0 . 2.78 609 600 A 35 ILE HA A 36 ILE HG13 1.0 . 3.86 610 601 A 36 ILE H A 36 ILE HG13 1.0 . 3.15 611 602 A 36 ILE HA A 36 ILE HG13 1.0 . 3.24 612 603 A 8 SER HA A 36 ILE HD1% 1.0 . 3.45 613 604 A 36 ILE HD1% A 27 TRP HB2 1.0 . 4.68 614 605 A 36 ILE HD1% A 27 TRP HB3 1.0 . 4.42 615 606 A 36 ILE HD1% A 34 THR HG2% 1.0 . 3.29 616 607 A 8 SER HA A 36 ILE HG2% 1.0 . 4.21 617 608 A 36 ILE HG2% A 27 TRP HA 1.0 . 4.15 618 609 A 36 ILE HG2% A 27 TRP HB2 1.0 . 4.11 619 610 A 36 ILE HG2% A 27 TRP HB3 1.0 . 3.30 620 611 A 36 ILE HG2% A 27 TRP HE3 1.0 . 3.83 621 612 A 36 ILE H A 36 ILE HG2% 1.0 . 4.30 622 613 A 36 ILE HG2% A 36 ILE HA 1.0 . 2.92 623 614 A 36 ILE HG2% A 38 ARG HG2 1.0 . 3.18 624 615 A 36 ILE HG2% A 38 ARG HG3 1.0 . 3.40 625 616 A 38 ARG HB2 A 38 ARG HG3 1.0 . 2.80 626 617 A 25 LYS HA A 38 ARG HB3 1.0 . 4.34 627 618 A 3 CYS HB2 A 39 GLY HA2 1.0 . 3.75 628 619 A 5 ASN HA A 39 GLY HA2 1.0 . 3.46 629 620 A 5 ASN HB2 A 39 GLY HA2 1.0 . 3.54 630 621 A 3 CYS HB2 A 40 CYS HA 1.0 . 3.69 631 622 A 23 CYS HA A 40 CYS HA 1.0 . 2.83 632 623 A 40 CYS HB3 A 40 CYS HA 1.0 . 2.92 633 624 A 17 CYS HB3 A 40 CYS HB3 1.0 . 3.26 634 625 A 40 CYS HB3 A 20 GLU HB2 1.0 . 3.15 635 626 A 24 TYR HB3 A 42 CYS HA 1.0 . 2.86 636 627 A 24 TYR HD% A 42 CYS HA 1.0 . 3.86 637 628 A 42 CYS HB2 A 42 CYS HA 1.0 . 2.71 638 629 A 42 CYS HB3 A 42 CYS HA 1.0 . 3.02 639 630 A 42 CYS HA A 43 PRO HD2 1.0 . 2.49 640 631 A 42 CYS HA A 43 PRO HD3 1.0 . 2.73 641 632 A 44 LYS H A 43 PRO HB2 1.0 . 2.98 642 633 A 24 TYR HB3 A 43 PRO HD2 1.0 . 3.39 643 634 A 24 TYR HD% A 43 PRO HD2 1.0 . 3.79 644 635 A 24 TYR HD% A 43 PRO HD3 1.0 . 3.35 645 636 A 24 TYR HD% A 43 PRO HG3 1.0 . 4.33 646 637 A 51 LEU HD2% A 44 LYS HA 1.0 . 3.79 647 638 A 45 VAL HA A 46 LYS H 1.0 . 2.72 648 639 A 45 VAL HA A 45 VAL HB 1.0 . 2.64 649 640 A 45 VAL HB A 46 LYS H 1.0 . 2.45 650 641 A 45 VAL HB A 49 VAL HG1% 1.0 . 2.84 651 642 A 45 VAL HG1% A 44 LYS HA 1.0 . 3.91 652 643 A 45 VAL H A 45 VAL HG1% 1.0 . 3.60 653 644 A 45 VAL HG1% A 45 VAL HA 1.0 . 2.84 654 645 A 45 VAL HG1% A 51 LEU HB2 1.0 . 3.30 655 646 A 44 LYS HA A 45 VAL HG2% 1.0 . 3.83 656 647 A 45 VAL HA A 45 VAL HG2% 1.0 . 3.60 657 648 A 46 LYS H A 45 VAL HG2% 1.0 . 3.53 658 649 A 45 VAL HG2% A 51 LEU HB2 1.0 . 3.10 659 650 A 46 LYS H A 46 LYS HA 1.0 . 2.82 660 651 A 46 LYS HB3 A 46 LYS HA 1.0 . 2.79 661 652 A 47 PRO HD2 A 46 LYS HA 1.0 . 3.23 662 653 A 47 PRO HD3 A 46 LYS HA 1.0 . 2.34 663 654 A 46 LYS HA A 47 PRO HG3 1.0 . 3.85 664 655 A 46 LYS HB2 A 47 PRO HD2 1.0 . 3.19 665 656 A 46 LYS HB2 A 47 PRO HD3 1.0 . 3.69 666 657 A 46 LYS HB3 A 47 PRO HD2 1.0 . 2.81 667 658 A 46 LYS HB3 A 47 PRO HD3 1.0 . 3.40 668 659 A 48 GLY H A 48 GLY HA3 1.0 . 2.88 669 660 A 49 VAL HA A 28 TRP HA 1.0 . 3.72 670 661 A 49 VAL HA A 28 TRP HB2 1.0 . 3.95 671 662 A 28 TRP HB3 A 49 VAL HA 1.0 . 3.02 672 663 A 49 VAL HA A 49 VAL HG1% 1.0 . 2.72 673 664 A 49 VAL HA A 49 VAL HG2% 1.0 . 2.82 674 665 A 45 VAL HA A 49 VAL HB 1.0 . 4.40 675 666 A 45 VAL HG2% A 49 VAL HB 1.0 . 2.69 676 667 A 46 LYS H A 49 VAL HB 1.0 . 3.28 677 668 A 27 TRP H A 49 VAL HG1% 1.0 . 3.74 678 669 A 28 TRP HB2 A 49 VAL HG1% 1.0 . 4.27 679 670 A 28 TRP HB3 A 49 VAL HG1% 1.0 . 3.35 680 671 A 28 TRP HE3 A 49 VAL HG1% 1.0 . 3.38 681 672 A 28 TRP HZ3 A 49 VAL HG1% 1.0 . 4.36 682 673 A 46 LYS H A 49 VAL HG1% 1.0 . 4.23 683 674 A 28 TRP HB2 A 49 VAL HG2% 1.0 . 4.03 684 675 A 28 TRP HB3 A 49 VAL HG2% 1.0 . 3.62 685 676 A 46 LYS HB2 A 49 VAL HG2% 1.0 . 3.58 686 677 A 46 LYS HB3 A 49 VAL HG2% 1.0 . 4.07 687 678 A 50 ASN HA A 50 ASN HB3 1.0 . 2.81 688 679 A 50 ASN HA A 51 LEU HB3 1.0 . 4.28 689 680 A 27 TRP HE3 A 50 ASN HB2 1.0 . 4.70 690 681 A 50 ASN HB2 A 27 TRP HZ2 1.0 . 4.00 691 682 A 27 TRP H A 50 ASN HB3 1.0 . 3.72 692 683 A 27 TRP HE3 A 50 ASN HB3 1.0 . 4.65 693 684 A 50 ASN HB3 A 27 TRP HZ2 1.0 . 3.55 694 685 A 51 LEU HA A 27 TRP HZ3 1.0 . 4.18 695 686 A 51 LEU HA A 45 VAL HG1% 1.0 . 3.57 696 687 A 51 LEU HA A 51 LEU HB2 1.0 . 2.73 697 688 A 51 LEU HA A 51 LEU HG 1.0 . 3.65 698 689 A 51 LEU HA A 51 LEU HD1% 1.0 . 2.48 699 690 A 51 LEU HA A 52 ASN H 1.0 . 2.31 700 691 A 45 VAL HG2% A 51 LEU HB3 1.0 . 3.00 701 692 A 51 LEU HB3 A 51 LEU HG 1.0 . 2.93 702 693 A 24 TYR HB2 A 51 LEU HD1% 1.0 . 3.01 703 694 A 24 TYR HB3 A 51 LEU HD1% 1.0 . 3.70 704 695 A 24 TYR HD% A 51 LEU HD1% 1.0 . 3.41 705 696 A 42 CYS HA A 51 LEU HD1% 1.0 . 3.84 706 697 A 51 LEU HD1% A 43 PRO HD2 1.0 . 3.01 707 698 A 51 LEU HD1% A 51 LEU HB2 1.0 . 2.99 708 699 A 51 LEU HD1% A 51 LEU HB3 1.0 . 3.59 709 700 A 43 PRO HD2 A 51 LEU HD2% 1.0 . 3.55 710 701 A 51 LEU HD2% A 51 LEU HB2 1.0 . 2.79 711 702 A 51 LEU HD2% A 51 LEU HB3 1.0 . 2.85 712 703 A 51 LEU HG A 52 ASN HA 1.0 . 4.51 713 704 A 51 LEU HD1% A 52 ASN HA 1.0 . 4.37 714 705 A 53 CYS HA A 52 ASN HA 1.0 . 4.65 715 706 A 53 CYS HA A 24 TYR HB2 1.0 . 3.97 716 707 A 53 CYS HA A 24 TYR HB3 1.0 . 4.21 717 708 A 53 CYS HA A 51 LEU HD1% 1.0 . 4.28 718 709 A 53 CYS HA A 53 CYS HB3 1.0 . 2.82 719 710 A 53 CYS HA A 54 CYS H 1.0 . 2.56 720 711 A 22 ASN HB2 A 53 CYS HB3 1.0 . 4.07 721 712 A 22 ASN HB3 A 53 CYS HB3 1.0 . 3.36 722 713 A 42 CYS HB2 A 53 CYS HB3 1.0 . 3.20 723 714 A 42 CYS HB3 A 53 CYS HB3 1.0 . 4.10 724 715 A 54 CYS HA A 54 CYS HB2 1.0 . 2.77 725 716 A 54 CYS HB3 A 54 CYS HA 1.0 . 2.60 726 717 A 55 ARG HG3 A 54 CYS HA 1.0 . 3.52 727 718 A 55 ARG HA A 55 ARG HB3 1.0 . 2.87 728 719 A 55 ARG HG2 A 55 ARG HA 1.0 . 3.12 729 720 A 55 ARG HG2 A 55 ARG HB3 1.0 . 2.47 730 721 A 55 ARG HG3 A 55 ARG HA 1.0 . 3.53 731 722 A 56 THR HB A 56 THR HA 1.0 . 2.79 732 723 A 55 ARG HB2 A 56 THR HG2% 1.0 . 3.80 733 724 A 55 ARG HB3 A 56 THR HG2% 1.0 . 4.83 734 725 A 56 THR HG2% A 56 THR HA 1.0 . 2.82 735 726 A 57 ASP HB3 A 2 GLU HB2 1.0 . 3.37 736 726 A 2 GLU HB3 A 57 ASP HB3 1.0 . 3.37 737 727 A 57 ASP HB3 A 57 ASP HA 1.0 . 3.05 738 728 A 57 ASP HB3 A 58 ARG HG2 1.0 . 4.26 739 729 A 57 ASP HB3 A 58 ARG HG3 1.0 . 3.30 740 730 A 3 CYS HA A 58 ARG HA 1.0 . 3.28 741 731 A 4 HIS HD2 A 58 ARG HA 1.0 . 3.09 742 732 A 58 ARG HA A 58 ARG HB3 1.0 . 3.03 743 733 A 58 ARG HG2 A 58 ARG HA 1.0 . 3.01 744 734 A 58 ARG HA A 58 ARG HG3 1.0 . 3.44 745 735 A 4 HIS HD2 A 58 ARG HB2 1.0 . 3.64 746 736 A 58 ARG HB2 A 58 ARG HD2 1.0 . 2.93 747 737 A 4 HIS HD2 A 58 ARG HB3 1.0 . 3.37 748 738 A 58 ARG HD2 A 58 ARG HB3 1.0 . 3.07 749 739 A 58 ARG HG2 A 58 ARG HB3 1.0 . 2.98 750 740 A 4 HIS HE1 A 58 ARG HD3 1.0 . 4.24 751 741 A 58 ARG HB2 A 58 ARG HD3 1.0 . 3.36 752 742 A 58 ARG HD3 A 58 ARG HB3 1.0 . 3.44 753 743 A 58 ARG HG2 A 58 ARG HD3 1.0 . 2.91 754 744 A 58 ARG HG2 A 2 GLU HB2 1.0 . 3.91 755 744 A 2 GLU HB3 A 58 ARG HG2 1.0 . 3.91 756 745 A 58 ARG HG2 A 4 HIS HD2 1.0 . 4.54 757 746 A 58 ARG HG2 A 58 ARG HD2 1.0 . 3.02 758 747 A 58 ARG HG3 A 2 GLU HB2 1.0 . 3.57 759 747 A 2 GLU HB3 A 58 ARG HG3 1.0 . 3.57 760 748 A 58 ARG HB2 A 58 ARG HG3 1.0 . 2.96 761 749 A 58 ARG HG3 A 58 ARG HD3 1.0 . 3.05 762 750 A 59 CYS HB2 A 59 CYS HA 1.0 . 2.67 763 751 A 59 CYS HB3 A 59 CYS HA 1.0 . 2.64 764 752 A 56 THR HG2% A 59 CYS HB3 1.0 . 3.85 765 753 A 60 ASN HB2 A 60 ASN HA 1.0 . 2.75 766 754 A 23 CYS HB2 A 60 ASN HB3 1.0 . 2.97 767 755 A 60 ASN HB3 A 60 ASN HA 1.0 . 2.86 768 756 A 4 HIS HD2 A 61 ASN HA 1.0 . 3.43 stop_ save_