data_nef_c19331_2ma7 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_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 66 HIS NE2 2 1 ZN ZN 1 48 GLN O 2 1 ZN ZN 1 49 CYS SG 2 1 ZN ZN 1 62 HIS NE2 2 1 ZN ZN 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 MET start . . 2 A 2 GLY middle . false 3 A 3 HIS middle . . 4 A 4 HIS middle . . 5 A 5 HIS middle . . 6 A 6 HIS middle . . 7 A 7 HIS middle . . 8 A 8 HIS middle . . 9 A 9 SER middle . . 10 A 10 HIS middle . . 11 A 11 MET middle . . 12 A 12 PRO middle . false 13 A 13 ASN middle . . 14 A 14 GLY middle . false 15 A 15 LYS middle . . 16 A 16 LEU middle . . 17 A 17 LYS middle . . 18 A 18 CYS middle . . 19 A 19 ASP middle . . 20 A 20 VAL middle . . 21 A 21 CYS middle . . 22 A 22 GLY middle . false 23 A 23 MET middle . . 24 A 24 VAL middle . . 25 A 25 CYS middle . . 26 A 26 ILE middle . . 27 A 27 GLY middle . false 28 A 28 PRO middle . false 29 A 29 ASN middle . . 30 A 30 VAL middle . . 31 A 31 LEU middle . . 32 A 32 MET middle . . 33 A 33 VAL middle . . 34 A 34 HIS middle . . 35 A 35 LYS middle . . 36 A 36 ARG middle . . 37 A 37 SER middle . . 38 A 38 HIS middle . . 39 A 39 THR middle . . 40 A 40 GLY middle . false 41 A 41 GLU middle . . 42 A 42 ARG middle . . 43 A 43 PRO middle . false 44 A 44 PHE middle . . 45 A 45 HIS middle . . 46 A 46 CYS middle . . 47 A 47 ASN middle . . 48 A 48 GLN middle . . 49 A 49 CYS middle -HG . 50 A 50 GLY middle . false 51 A 51 ALA middle . . 52 A 52 SER middle . . 53 A 53 PHE middle . . 54 A 54 THR middle . . 55 A 55 GLN middle . . 56 A 56 LYS middle . . 57 A 57 GLY middle . false 58 A 58 ASN middle . . 59 A 59 LEU middle . . 60 A 60 LEU middle . . 61 A 61 ARG middle . . 62 A 62 HIS middle -HE2 . 63 A 63 ILE middle . . 64 A 64 LYS middle . . 65 A 65 LEU middle . . 66 A 66 HIS middle -HE2 . 67 A 67 SER middle . . 68 A 68 GLY middle . false 69 A 69 GLU middle . . 70 A 70 LYS middle . . 71 A 71 PRO middle . false 72 A 72 PHE middle . . 73 A 73 LYS end . . 74 B 1 ZN . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 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 12 PRO HA H 1 4.260 0.030 A 12 PRO HB2 H 1 2.289 0.030 A 12 PRO HB3 H 1 2.289 0.030 A 12 PRO C C 13 175.377 0.400 A 12 PRO CA C 13 63.385 0.400 A 12 PRO CB C 13 32.069 0.400 A 13 ASN H H 1 8.001 0.030 A 13 ASN HA H 1 4.464 0.030 A 13 ASN HB2 H 1 2.727 0.030 A 13 ASN HB3 H 1 2.727 0.030 A 13 ASN HD2x H 1 6.930 0.030 A 13 ASN HD2y H 1 7.601 0.030 A 13 ASN C C 13 176.178 0.400 A 13 ASN CA C 13 54.834 0.400 A 13 ASN CB C 13 41.005 0.400 A 13 ASN N N 15 123.885 0.400 A 13 ASN ND2 N 15 112.671 0.400 A 14 GLY H H 1 8.367 0.030 A 14 GLY HA2 H 1 3.906 0.030 A 14 GLY HA3 H 1 3.906 0.030 A 14 GLY C C 13 174.152 0.400 A 14 GLY CA C 13 45.365 0.400 A 14 GLY N N 15 113.831 0.400 A 15 LYS H H 1 8.200 0.030 A 15 LYS HA H 1 4.297 0.030 A 15 LYS HBy H 1 2.067 0.030 A 15 LYS HBx H 1 1.790 0.030 A 15 LYS HD2 H 1 1.670 0.030 A 15 LYS HD3 H 1 1.670 0.030 A 15 LYS HE2 H 1 2.975 0.030 A 15 LYS HE3 H 1 2.975 0.030 A 15 LYS HGx H 1 1.453 0.030 A 15 LYS HGy H 1 1.615 0.030 A 15 LYS C C 13 176.217 0.400 A 15 LYS CA C 13 56.921 0.400 A 15 LYS CB C 13 32.804 0.400 A 15 LYS CD C 13 28.737 0.400 A 15 LYS CE C 13 41.936 0.400 A 15 LYS CG C 13 24.824 0.400 A 15 LYS N N 15 119.903 0.400 A 16 LEU H H 1 8.394 0.030 A 16 LEU HA H 1 4.454 0.030 A 16 LEU HB2 H 1 1.623 0.030 A 16 LEU HB3 H 1 1.623 0.030 A 16 LEU HD1% H 1 0.742 0.030 A 16 LEU HD2% H 1 0.839 0.030 A 16 LEU HG H 1 1.566 0.030 A 16 LEU C C 13 173.805 0.400 A 16 LEU CA C 13 55.080 0.400 A 16 LEU CB C 13 41.852 0.400 A 16 LEU CD1 C 13 25.365 0.400 A 16 LEU CD2 C 13 23.420 0.400 A 16 LEU CG C 13 26.828 0.400 A 16 LEU N N 15 122.670 0.400 A 17 LYS H H 1 8.026 0.030 A 17 LYS HA H 1 4.877 0.030 A 17 LYS HBx H 1 1.509 0.030 A 17 LYS HBy H 1 1.562 0.030 A 17 LYS HD2 H 1 1.590 0.030 A 17 LYS HD3 H 1 1.590 0.030 A 17 LYS HE2 H 1 3.079 0.030 A 17 LYS HE3 H 1 3.079 0.030 A 17 LYS HG2 H 1 1.198 0.030 A 17 LYS C C 13 175.777 0.400 A 17 LYS CA C 13 54.489 0.400 A 17 LYS CB C 13 35.154 0.400 A 17 LYS CD C 13 29.340 0.400 A 17 LYS CE C 13 41.850 0.400 A 17 LYS CG C 13 24.353 0.400 A 17 LYS N N 15 120.445 0.400 A 18 CYS H H 1 9.071 0.030 A 18 CYS HA H 1 4.227 0.030 A 18 CYS HBx H 1 2.719 0.030 A 18 CYS HBy H 1 3.255 0.030 A 18 CYS C C 13 176.551 0.400 A 18 CYS CA C 13 60.677 0.400 A 18 CYS CB C 13 29.821 0.400 A 18 CYS N N 15 127.176 0.400 A 19 ASP H H 1 9.137 0.030 A 19 ASP HA H 1 4.364 0.030 A 19 ASP HB2 H 1 2.803 0.030 A 19 ASP HB3 H 1 2.803 0.030 A 19 ASP C C 13 175.433 0.400 A 19 ASP CA C 13 55.671 0.400 A 19 ASP CB C 13 39.613 0.400 A 19 ASP N N 15 130.419 0.400 A 20 VAL H H 1 9.022 0.030 A 20 VAL HA H 1 3.822 0.030 A 20 VAL HB H 1 1.338 0.030 A 20 VAL HG1% H 1 0.207 0.030 A 20 VAL HG2% H 1 0.796 0.030 A 20 VAL C C 13 177.009 0.400 A 20 VAL CA C 13 65.362 0.400 A 20 VAL CB C 13 32.970 0.400 A 20 VAL CG1 C 13 19.687 0.400 A 20 VAL CG2 C 13 21.125 0.400 A 20 VAL N N 15 123.067 0.400 A 21 CYS H H 1 8.092 0.030 A 21 CYS HA H 1 5.115 0.030 A 21 CYS HBy H 1 3.452 0.030 A 21 CYS HBx H 1 2.657 0.030 A 21 CYS C C 13 176.178 0.400 A 21 CYS CA C 13 58.067 0.400 A 21 CYS CB C 13 33.096 0.400 A 21 CYS N N 15 115.484 0.400 A 22 GLY H H 1 7.931 0.030 A 22 GLY HAy H 1 4.254 0.030 A 22 GLY HAx H 1 3.740 0.030 A 22 GLY C C 13 173.028 0.400 A 22 GLY CA C 13 45.741 0.400 A 22 GLY N N 15 113.222 0.400 A 23 MET H H 1 8.276 0.030 A 23 MET HA H 1 4.075 0.030 A 23 MET HBy H 1 2.014 0.030 A 23 MET HBx H 1 1.194 0.030 A 23 MET HG2 H 1 2.284 0.030 A 23 MET HG3 H 1 2.284 0.030 A 23 MET C C 13 174.950 0.400 A 23 MET CA C 13 57.226 0.400 A 23 MET CB C 13 33.750 0.400 A 23 MET CG C 13 31.297 0.400 A 23 MET N N 15 122.930 0.400 A 24 VAL H H 1 8.466 0.030 A 24 VAL HA H 1 4.330 0.030 A 24 VAL HB H 1 1.922 0.030 A 24 VAL HG1% H 1 0.823 0.030 A 24 VAL HG2% H 1 0.968 0.030 A 24 VAL C C 13 176.124 0.400 A 24 VAL CA C 13 62.581 0.400 A 24 VAL CB C 13 31.843 0.400 A 24 VAL CG1 C 13 21.429 0.400 A 24 VAL CG2 C 13 21.708 0.400 A 24 VAL N N 15 126.800 0.400 A 25 CYS H H 1 8.720 0.030 A 25 CYS HA H 1 4.729 0.030 A 25 CYS HBy H 1 2.716 0.030 A 25 CYS HBx H 1 2.587 0.030 A 25 CYS HG H 1 2.245 0.030 A 25 CYS C C 13 173.829 0.400 A 25 CYS CA C 13 57.510 0.400 A 25 CYS CB C 13 31.649 0.400 A 25 CYS N N 15 125.377 0.400 A 26 ILE H H 1 8.407 0.030 A 26 ILE HA H 1 4.170 0.030 A 26 ILE HB H 1 1.939 0.030 A 26 ILE HD1% H 1 0.857 0.030 A 26 ILE HG1x H 1 1.224 0.030 A 26 ILE HG1y H 1 1.467 0.030 A 26 ILE HG2% H 1 0.930 0.030 A 26 ILE C C 13 175.334 0.400 A 26 ILE CA C 13 61.946 0.400 A 26 ILE CB C 13 37.870 0.400 A 26 ILE CD1 C 13 13.070 0.400 A 26 ILE CG1 C 13 27.368 0.400 A 26 ILE CG2 C 13 17.713 0.400 A 26 ILE N N 15 119.435 0.400 A 27 GLY H H 1 7.444 0.030 A 27 GLY HAx H 1 4.166 0.030 A 27 GLY HAy H 1 4.405 0.030 A 27 GLY CA C 13 44.598 0.400 A 27 GLY N N 15 109.455 0.400 A 28 PRO HA H 1 4.180 0.030 A 28 PRO HBy H 1 2.324 0.030 A 28 PRO HBx H 1 2.049 0.030 A 28 PRO HDy H 1 3.868 0.030 A 28 PRO HDx H 1 3.682 0.030 A 28 PRO HG2 H 1 2.104 0.030 A 28 PRO HG3 H 1 2.104 0.030 A 28 PRO C C 13 178.526 0.400 A 28 PRO CA C 13 65.014 0.400 A 28 PRO CB C 13 31.748 0.400 A 28 PRO CD C 13 50.199 0.400 A 28 PRO CG C 13 27.333 0.400 A 29 ASN H H 1 8.722 0.030 A 29 ASN HA H 1 4.574 0.030 A 29 ASN HBy H 1 2.921 0.030 A 29 ASN HBx H 1 2.878 0.030 A 29 ASN HD2x H 1 7.193 0.030 A 29 ASN HD2y H 1 8.091 0.030 A 29 ASN C C 13 176.925 0.400 A 29 ASN CA C 13 56.454 0.400 A 29 ASN CB C 13 37.481 0.400 A 29 ASN N N 15 118.871 0.400 A 29 ASN ND2 N 15 113.894 0.400 A 30 VAL H H 1 7.475 0.030 A 30 VAL HA H 1 3.717 0.030 A 30 VAL HB H 1 1.975 0.030 A 30 VAL HG1% H 1 1.062 0.030 A 30 VAL HG2% H 1 1.079 0.030 A 30 VAL C C 13 178.526 0.400 A 30 VAL CA C 13 65.881 0.400 A 30 VAL CB C 13 31.840 0.400 A 30 VAL CG1 C 13 21.231 0.400 A 30 VAL CG2 C 13 22.559 0.400 A 30 VAL N N 15 120.904 0.400 A 31 LEU H H 1 7.853 0.030 A 31 LEU HA H 1 4.467 0.030 A 31 LEU HBy H 1 1.996 0.030 A 31 LEU HBx H 1 1.290 0.030 A 31 LEU HD1% H 1 0.826 0.030 A 31 LEU HD2% H 1 0.748 0.030 A 31 LEU HG H 1 1.633 0.030 A 31 LEU C C 13 177.379 0.400 A 31 LEU CA C 13 58.102 0.400 A 31 LEU CB C 13 41.367 0.400 A 31 LEU CD1 C 13 25.197 0.400 A 31 LEU CD2 C 13 22.968 0.400 A 31 LEU CG C 13 26.375 0.400 A 31 LEU N N 15 120.665 0.400 A 32 MET H H 1 7.974 0.030 A 32 MET HA H 1 4.099 0.030 A 32 MET HB2 H 1 2.251 0.030 A 32 MET HB3 H 1 2.251 0.030 A 32 MET HG2 H 1 2.793 0.030 A 32 MET HG3 H 1 2.793 0.030 A 32 MET C C 13 178.927 0.400 A 32 MET CA C 13 59.015 0.400 A 32 MET CB C 13 32.105 0.400 A 32 MET CG C 13 31.336 0.400 A 32 MET N N 15 117.671 0.400 A 33 VAL H H 1 7.747 0.030 A 33 VAL HA H 1 3.542 0.030 A 33 VAL HB H 1 2.127 0.030 A 33 VAL HG1% H 1 0.959 0.030 A 33 VAL HG2% H 1 1.086 0.030 A 33 VAL C C 13 179.275 0.400 A 33 VAL CA C 13 66.653 0.400 A 33 VAL CB C 13 31.815 0.400 A 33 VAL CG1 C 13 21.232 0.400 A 33 VAL CG2 C 13 22.569 0.400 A 33 VAL N N 15 119.384 0.400 A 34 HIS H H 1 8.664 0.030 A 34 HIS HA H 1 4.220 0.030 A 34 HIS HBy H 1 3.580 0.030 A 34 HIS HBx H 1 3.280 0.030 A 34 HIS HD2 H 1 6.595 0.030 A 34 HIS HE1 H 1 8.022 0.030 A 34 HIS C C 13 178.486 0.400 A 34 HIS CA C 13 59.798 0.400 A 34 HIS CB C 13 28.036 0.400 A 34 HIS CD2 C 13 126.629 0.400 A 34 HIS CE1 C 13 140.208 0.400 A 34 HIS N N 15 120.938 0.400 A 34 HIS ND1 N 15 170.425 0.400 A 34 HIS NE2 N 15 210.412 0.400 A 35 LYS H H 1 9.034 0.030 A 35 LYS HA H 1 3.716 0.030 A 35 LYS HB2 H 1 2.002 0.030 A 35 LYS HB3 H 1 2.002 0.030 A 35 LYS HD2 H 1 1.866 0.030 A 35 LYS HD3 H 1 1.866 0.030 A 35 LYS HEx H 1 3.096 0.030 A 35 LYS HEy H 1 3.225 0.030 A 35 LYS HG2 H 1 2.037 0.030 A 35 LYS HG3 H 1 2.037 0.030 A 35 LYS C C 13 178.526 0.400 A 35 LYS CA C 13 60.666 0.400 A 35 LYS CB C 13 31.428 0.400 A 35 LYS CD C 13 29.326 0.400 A 35 LYS CE C 13 41.535 0.400 A 35 LYS CG C 13 26.849 0.400 A 35 LYS N N 15 119.725 0.400 A 36 ARG H H 1 7.458 0.030 A 36 ARG HA H 1 4.149 0.030 A 36 ARG HB2 H 1 1.921 0.030 A 36 ARG HB3 H 1 1.921 0.030 A 36 ARG HD2 H 1 3.208 0.030 A 36 ARG HD3 H 1 3.208 0.030 A 36 ARG HE H 1 7.237 0.030 A 36 ARG HGx H 1 1.712 0.030 A 36 ARG HGy H 1 1.945 0.030 A 36 ARG C C 13 177.752 0.400 A 36 ARG CA C 13 58.107 0.400 A 36 ARG CB C 13 29.714 0.400 A 36 ARG CD C 13 43.629 0.400 A 36 ARG CG C 13 27.441 0.400 A 36 ARG N N 15 118.491 0.400 A 36 ARG NE N 15 84.773 0.400 A 37 SER H H 1 7.771 0.030 A 37 SER HA H 1 4.202 0.030 A 37 SER HB2 H 1 3.738 0.030 A 37 SER HB3 H 1 3.738 0.030 A 37 SER C C 13 174.576 0.400 A 37 SER CA C 13 60.412 0.400 A 37 SER CB C 13 62.129 0.400 A 37 SER N N 15 113.811 0.400 A 38 HIS H H 1 7.265 0.030 A 38 HIS HA H 1 4.994 0.030 A 38 HIS HB2 H 1 3.232 0.030 A 38 HIS HB3 H 1 3.232 0.030 A 38 HIS HD2 H 1 6.895 0.030 A 38 HIS HE1 H 1 7.801 0.030 A 38 HIS C C 13 174.977 0.400 A 38 HIS CA C 13 54.798 0.400 A 38 HIS CB C 13 28.317 0.400 A 38 HIS CD2 C 13 126.093 0.400 A 38 HIS CE1 C 13 139.246 0.400 A 38 HIS N N 15 118.829 0.400 A 38 HIS NE2 N 15 213.967 0.400 A 39 THR H H 1 7.814 0.030 A 39 THR HA H 1 4.353 0.030 A 39 THR HB H 1 4.295 0.030 A 39 THR HG2% H 1 1.240 0.030 A 39 THR C C 13 174.977 0.400 A 39 THR CA C 13 62.252 0.400 A 39 THR CB C 13 69.773 0.400 A 39 THR CG2 C 13 21.412 0.400 A 39 THR N N 15 113.289 0.400 A 40 GLY H H 1 8.425 0.030 A 40 GLY HA2 H 1 3.983 0.030 A 40 GLY HA3 H 1 3.983 0.030 A 40 GLY C C 13 173.802 0.400 A 40 GLY CA C 13 45.173 0.400 A 40 GLY N N 15 110.879 0.400 A 41 GLU H H 1 8.127 0.030 A 41 GLU HA H 1 4.222 0.030 A 41 GLU HBy H 1 1.635 0.030 A 41 GLU HBx H 1 1.447 0.030 A 41 GLU HGx H 1 2.250 0.030 A 41 GLU HGy H 1 2.302 0.030 A 41 GLU C C 13 176.151 0.400 A 41 GLU CA C 13 56.710 0.400 A 41 GLU CB C 13 30.550 0.400 A 41 GLU CG C 13 35.790 0.400 A 41 GLU N N 15 120.081 0.400 A 42 ARG H H 1 8.370 0.030 A 42 ARG HA H 1 4.530 0.030 A 42 ARG HB2 H 1 1.556 0.030 A 42 ARG HB3 H 1 1.556 0.030 A 42 ARG HD2 H 1 2.970 0.030 A 42 ARG HD3 H 1 2.970 0.030 A 42 ARG HE H 1 6.959 0.030 A 42 ARG HG2 H 1 1.427 0.030 A 42 ARG HG3 H 1 1.427 0.030 A 42 ARG CA C 13 53.378 0.400 A 42 ARG CB C 13 30.025 0.400 A 42 ARG CD C 13 43.389 0.400 A 42 ARG CG C 13 27.044 0.400 A 42 ARG N N 15 121.379 0.400 A 42 ARG NE N 15 84.066 0.400 A 43 PRO HA H 1 4.260 0.030 A 43 PRO HBy H 1 1.970 0.030 A 43 PRO HBx H 1 1.126 0.030 A 43 PRO HD2 H 1 3.660 0.030 A 43 PRO HD3 H 1 3.660 0.030 A 43 PRO HGy H 1 1.825 0.030 A 43 PRO HGx H 1 1.555 0.030 A 43 PRO C C 13 176.151 0.400 A 43 PRO CA C 13 63.652 0.400 A 43 PRO CB C 13 32.069 0.400 A 43 PRO CD C 13 50.165 0.400 A 43 PRO CG C 13 26.441 0.400 A 44 PHE H H 1 7.659 0.030 A 44 PHE HA H 1 4.845 0.030 A 44 PHE HBy H 1 3.125 0.030 A 44 PHE HBx H 1 2.856 0.030 A 44 PHE HD1 H 1 7.111 0.030 A 44 PHE HD2 H 1 7.111 0.030 A 44 PHE HE1 H 1 7.426 0.030 A 44 PHE HE2 H 1 7.426 0.030 A 44 PHE C C 13 174.603 0.400 A 44 PHE CA C 13 57.080 0.400 A 44 PHE CB C 13 39.654 0.400 A 44 PHE CD1 C 13 131.589 0.400 A 44 PHE CD2 C 13 131.589 0.400 A 44 PHE CE1 C 13 131.519 0.400 A 44 PHE CE2 C 13 131.519 0.400 A 44 PHE N N 15 116.589 0.400 A 45 HIS H H 1 9.070 0.030 A 45 HIS HA H 1 5.291 0.030 A 45 HIS HBy H 1 3.091 0.030 A 45 HIS HBx H 1 3.045 0.030 A 45 HIS HD2 H 1 6.976 0.030 A 45 HIS HE1 H 1 7.805 0.030 A 45 HIS C C 13 172.655 0.400 A 45 HIS CA C 13 54.560 0.400 A 45 HIS CB C 13 31.774 0.400 A 45 HIS CD2 C 13 119.718 0.400 A 45 HIS N N 15 121.791 0.400 A 45 HIS ND1 N 15 173.162 0.400 A 46 CYS H H 1 9.189 0.030 A 46 CYS HA H 1 4.542 0.030 A 46 CYS HB2 H 1 2.765 0.030 A 46 CYS HB3 H 1 3.391 0.030 A 46 CYS C C 13 176.525 0.400 A 46 CYS CA C 13 59.233 0.400 A 46 CYS CB C 13 29.948 0.400 A 46 CYS N N 15 125.392 0.400 A 47 ASN H H 1 9.302 0.030 A 47 ASN HA H 1 4.697 0.030 A 47 ASN HBy H 1 2.989 0.030 A 47 ASN HBx H 1 2.936 0.030 A 47 ASN HD2x H 1 6.993 0.030 A 47 ASN HD2y H 1 7.677 0.030 A 47 ASN C C 13 175.433 0.400 A 47 ASN CA C 13 54.982 0.400 A 47 ASN CB C 13 38.237 0.400 A 47 ASN N N 15 128.827 0.400 A 47 ASN ND2 N 15 112.408 0.400 A 48 GLN H H 1 9.139 0.030 A 48 GLN HA H 1 4.307 0.030 A 48 GLN HBy H 1 1.497 0.030 A 48 GLN HBx H 1 1.411 0.030 A 48 GLN HE2x H 1 6.839 0.030 A 48 GLN HE2y H 1 7.440 0.030 A 48 GLN HGy H 1 2.114 0.030 A 48 GLN HGx H 1 1.991 0.030 A 48 GLN C C 13 176.151 0.400 A 48 GLN CA C 13 57.832 0.400 A 48 GLN CB C 13 29.163 0.400 A 48 GLN CG C 13 33.936 0.400 A 48 GLN N N 15 120.952 0.400 A 48 GLN NE2 N 15 111.039 0.400 A 49 CYS H H 1 8.117 0.030 A 49 CYS HA H 1 5.149 0.030 A 49 CYS HBy H 1 3.437 0.030 A 49 CYS HBx H 1 2.895 0.030 A 49 CYS C C 13 175.430 0.400 A 49 CYS CA C 13 58.349 0.400 A 49 CYS CB C 13 32.264 0.400 A 49 CYS N N 15 116.176 0.400 A 50 GLY H H 1 8.142 0.030 A 50 GLY HAy H 1 4.223 0.030 A 50 GLY HAx H 1 3.885 0.030 A 50 GLY C C 13 173.758 0.400 A 50 GLY CA C 13 45.891 0.400 A 50 GLY N N 15 111.724 0.400 A 51 ALA H H 1 8.420 0.030 A 51 ALA HA H 1 4.087 0.030 A 51 ALA HB% H 1 0.978 0.030 A 51 ALA C C 13 175.350 0.400 A 51 ALA CA C 13 53.505 0.400 A 51 ALA CB C 13 19.611 0.400 A 51 ALA N N 15 126.041 0.400 A 52 SER H H 1 7.829 0.030 A 52 SER HA H 1 5.255 0.030 A 52 SER HB2 H 1 3.565 0.030 A 52 SER HB3 H 1 3.565 0.030 A 52 SER C C 13 173.002 0.400 A 52 SER CA C 13 56.680 0.400 A 52 SER CB C 13 65.958 0.400 A 52 SER N N 15 113.511 0.400 A 53 PHE H H 1 8.802 0.030 A 53 PHE HA H 1 4.878 0.030 A 53 PHE HBy H 1 3.592 0.030 A 53 PHE HBx H 1 2.534 0.030 A 53 PHE HD1 H 1 7.187 0.030 A 53 PHE HD2 H 1 7.187 0.030 A 53 PHE HE1 H 1 6.845 0.030 A 53 PHE HE2 H 1 6.845 0.030 A 53 PHE HZ H 1 6.342 0.030 A 53 PHE C C 13 174.977 0.400 A 53 PHE CA C 13 57.556 0.400 A 53 PHE CB C 13 43.874 0.400 A 53 PHE CD1 C 13 131.995 0.400 A 53 PHE CD2 C 13 131.995 0.400 A 53 PHE CE1 C 13 130.820 0.400 A 53 PHE CE2 C 13 130.820 0.400 A 53 PHE CZ C 13 129.153 0.400 A 53 PHE N N 15 117.376 0.400 A 54 THR H H 1 9.129 0.030 A 54 THR HA H 1 4.553 0.030 A 54 THR HB H 1 4.494 0.030 A 54 THR HG2% H 1 1.405 0.030 A 54 THR C C 13 174.229 0.400 A 54 THR CA C 13 63.789 0.400 A 54 THR CB C 13 69.491 0.400 A 54 THR CG2 C 13 22.595 0.400 A 54 THR N N 15 114.290 0.400 A 55 GLN H H 1 7.563 0.030 A 55 GLN HA H 1 4.784 0.030 A 55 GLN HB2 H 1 2.220 0.030 A 55 GLN HB3 H 1 1.933 0.030 A 55 GLN HE2x H 1 6.908 0.030 A 55 GLN HE2y H 1 7.516 0.030 A 55 GLN HG2 H 1 2.461 0.030 A 55 GLN HG3 H 1 2.461 0.030 A 55 GLN C C 13 176.124 0.400 A 55 GLN CA C 13 54.065 0.400 A 55 GLN CB C 13 31.444 0.400 A 55 GLN CG C 13 33.144 0.400 A 55 GLN N N 15 117.684 0.400 A 55 GLN NE2 N 15 111.974 0.400 A 56 LYS H H 1 8.680 0.030 A 56 LYS HA H 1 2.791 0.030 A 56 LYS HBy H 1 1.400 0.030 A 56 LYS HBx H 1 1.050 0.030 A 56 LYS HD2 H 1 1.545 0.030 A 56 LYS HD3 H 1 1.545 0.030 A 56 LYS HE2 H 1 2.959 0.030 A 56 LYS HE3 H 1 2.959 0.030 A 56 LYS HGx H 1 0.926 0.030 A 56 LYS HGy H 1 1.143 0.030 A 56 LYS C C 13 178.179 0.400 A 56 LYS CA C 13 59.297 0.400 A 56 LYS CB C 13 31.734 0.400 A 56 LYS CD C 13 29.274 0.400 A 56 LYS CE C 13 41.881 0.400 A 56 LYS CG C 13 24.725 0.400 A 56 LYS N N 15 127.497 0.400 A 57 GLY H H 1 8.900 0.030 A 57 GLY HAx H 1 3.591 0.030 A 57 GLY HAy H 1 3.844 0.030 A 57 GLY C C 13 176.204 0.400 A 57 GLY CA C 13 47.070 0.400 A 57 GLY N N 15 105.111 0.400 A 58 ASN H H 1 6.958 0.030 A 58 ASN HA H 1 4.448 0.030 A 58 ASN HB2 H 1 2.904 0.030 A 58 ASN HB3 H 1 2.809 0.030 A 58 ASN HD2x H 1 7.025 0.030 A 58 ASN HD2y H 1 7.666 0.030 A 58 ASN C C 13 177.325 0.400 A 58 ASN CA C 13 54.912 0.400 A 58 ASN CB C 13 37.462 0.400 A 58 ASN N N 15 117.732 0.400 A 58 ASN ND2 N 15 113.600 0.400 A 59 LEU H H 1 6.885 0.030 A 59 LEU HA H 1 3.126 0.030 A 59 LEU HB2 H 1 1.144 0.030 A 59 LEU HB3 H 1 2.031 0.030 A 59 LEU HD1% H 1 0.943 0.030 A 59 LEU HD2% H 1 1.034 0.030 A 59 LEU HG H 1 1.500 0.030 A 59 LEU C C 13 177.352 0.400 A 59 LEU CA C 13 57.659 0.400 A 59 LEU CB C 13 39.910 0.400 A 59 LEU CD1 C 13 22.999 0.400 A 59 LEU CD2 C 13 26.209 0.400 A 59 LEU CG C 13 27.511 0.400 A 59 LEU N N 15 123.027 0.400 A 60 LEU H H 1 8.078 0.030 A 60 LEU HA H 1 3.896 0.030 A 60 LEU HB2 H 1 1.754 0.030 A 60 LEU HB3 H 1 1.459 0.030 A 60 LEU HD1% H 1 0.903 0.030 A 60 LEU HD2% H 1 0.815 0.030 A 60 LEU HG H 1 1.675 0.030 A 60 LEU C C 13 179.669 0.400 A 60 LEU CA C 13 58.138 0.400 A 60 LEU CB C 13 40.632 0.400 A 60 LEU CD1 C 13 24.762 0.400 A 60 LEU CD2 C 13 22.148 0.400 A 60 LEU CG C 13 26.757 0.400 A 60 LEU N N 15 117.860 0.400 A 61 ARG H H 1 7.414 0.030 A 61 ARG HA H 1 3.928 0.030 A 61 ARG HB2 H 1 1.779 0.030 A 61 ARG HB3 H 1 1.779 0.030 A 61 ARG HD2 H 1 3.190 0.030 A 61 ARG HD3 H 1 3.190 0.030 A 61 ARG HE H 1 7.199 0.030 A 61 ARG HGx H 1 1.565 0.030 A 61 ARG HGy H 1 1.753 0.030 A 61 ARG C C 13 177.752 0.400 A 61 ARG CA C 13 59.258 0.400 A 61 ARG CB C 13 30.346 0.400 A 61 ARG CD C 13 43.163 0.400 A 61 ARG CG C 13 27.840 0.400 A 61 ARG N N 15 117.382 0.400 A 61 ARG NE N 15 83.881 0.400 A 61 ARG NH1 N 15 84.729 0.400 A 62 HIS H H 1 7.360 0.030 A 62 HIS HA H 1 4.111 0.030 A 62 HIS HB2 H 1 3.257 0.030 A 62 HIS HB3 H 1 2.915 0.030 A 62 HIS HD2 H 1 7.029 0.030 A 62 HIS HE1 H 1 7.922 0.030 A 62 HIS C C 13 176.978 0.400 A 62 HIS CA C 13 59.566 0.400 A 62 HIS CB C 13 28.558 0.400 A 62 HIS CD2 C 13 126.962 0.400 A 62 HIS CE1 C 13 139.548 0.400 A 62 HIS N N 15 119.118 0.400 A 62 HIS ND1 N 15 172.920 0.400 A 62 HIS NE2 N 15 216.641 0.400 A 63 ILE H H 1 8.500 0.030 A 63 ILE HA H 1 3.669 0.030 A 63 ILE HB H 1 2.011 0.030 A 63 ILE HD1% H 1 1.010 0.030 A 63 ILE HG1x H 1 1.595 0.030 A 63 ILE HG1y H 1 1.847 0.030 A 63 ILE HG2% H 1 1.164 0.030 A 63 ILE C C 13 178.526 0.400 A 63 ILE CA C 13 65.875 0.400 A 63 ILE CB C 13 38.085 0.400 A 63 ILE CD1 C 13 13.863 0.400 A 63 ILE CG1 C 13 28.706 0.400 A 63 ILE CG2 C 13 17.713 0.400 A 63 ILE N N 15 116.662 0.400 A 64 LYS H H 1 7.174 0.030 A 64 LYS HA H 1 4.068 0.030 A 64 LYS HBx H 1 1.813 0.030 A 64 LYS HBy H 1 1.878 0.030 A 64 LYS HD2 H 1 1.556 0.030 A 64 LYS HD3 H 1 1.556 0.030 A 64 LYS HE2 H 1 2.853 0.030 A 64 LYS HE3 H 1 2.853 0.030 A 64 LYS HGy H 1 1.615 0.030 A 64 LYS HGx H 1 1.465 0.030 A 64 LYS C C 13 178.553 0.400 A 64 LYS CA C 13 58.667 0.400 A 64 LYS CB C 13 32.004 0.400 A 64 LYS CD C 13 29.083 0.400 A 64 LYS CE C 13 41.851 0.400 A 64 LYS CG C 13 25.210 0.400 A 64 LYS N N 15 119.456 0.400 A 65 LEU H H 1 7.744 0.030 A 65 LEU HA H 1 4.064 0.030 A 65 LEU HBy H 1 1.466 0.030 A 65 LEU HBx H 1 1.244 0.030 A 65 LEU HD1% H 1 0.817 0.030 A 65 LEU HD2% H 1 0.768 0.030 A 65 LEU HG H 1 1.628 0.030 A 65 LEU C C 13 178.980 0.400 A 65 LEU CA C 13 56.607 0.400 A 65 LEU CB C 13 40.977 0.400 A 65 LEU CD1 C 13 25.106 0.400 A 65 LEU CD2 C 13 22.619 0.400 A 65 LEU CG C 13 26.489 0.400 A 65 LEU N N 15 118.539 0.400 A 66 HIS H H 1 7.357 0.030 A 66 HIS HA H 1 4.733 0.030 A 66 HIS HBx H 1 3.262 0.030 A 66 HIS HBy H 1 3.664 0.030 A 66 HIS HD2 H 1 6.670 0.030 A 66 HIS HE1 H 1 7.997 0.030 A 66 HIS C C 13 175.671 0.400 A 66 HIS CA C 13 56.128 0.400 A 66 HIS CB C 13 28.573 0.400 A 66 HIS CD2 C 13 127.013 0.400 A 66 HIS CE1 C 13 139.887 0.400 A 66 HIS N N 15 115.422 0.400 A 66 HIS ND1 N 15 170.425 0.400 A 66 HIS NE2 N 15 211.644 0.400 A 67 SER H H 1 7.859 0.030 A 67 SER HA H 1 4.459 0.030 A 67 SER HB2 H 1 3.975 0.030 A 67 SER HB3 H 1 3.975 0.030 A 67 SER C C 13 175.003 0.400 A 67 SER CA C 13 59.246 0.400 A 67 SER CB C 13 63.693 0.400 A 67 SER N N 15 115.047 0.400 A 68 GLY H H 1 8.281 0.030 A 68 GLY HA2 H 1 3.993 0.030 A 68 GLY HA3 H 1 3.993 0.030 A 68 GLY C C 13 173.812 0.400 A 68 GLY CA C 13 45.307 0.400 A 68 GLY N N 15 110.437 0.400 A 69 GLU H H 1 8.069 0.030 A 69 GLU HA H 1 4.280 0.030 A 69 GLU HBx H 1 1.956 0.030 A 69 GLU HBy H 1 2.030 0.030 A 69 GLU HG2 H 1 2.272 0.030 A 69 GLU HG3 H 1 2.272 0.030 A 69 GLU C C 13 176.124 0.400 A 69 GLU CA C 13 56.393 0.400 A 69 GLU CB C 13 30.396 0.400 A 69 GLU CG C 13 36.098 0.400 A 69 GLU N N 15 120.321 0.400 A 70 LYS H H 1 8.349 0.030 A 70 LYS HA H 1 4.594 0.030 A 70 LYS HBy H 1 1.781 0.030 A 70 LYS HBx H 1 1.710 0.030 A 70 LYS HD2 H 1 1.668 0.030 A 70 LYS HD3 H 1 1.668 0.030 A 70 LYS HE2 H 1 2.977 0.030 A 70 LYS HE3 H 1 2.977 0.030 A 70 LYS HG2 H 1 1.444 0.030 A 70 LYS HG3 H 1 1.444 0.030 A 70 LYS CA C 13 54.065 0.400 A 70 LYS CB C 13 32.557 0.400 A 70 LYS CD C 13 28.836 0.400 A 70 LYS CE C 13 42.043 0.400 A 70 LYS CG C 13 24.358 0.400 A 70 LYS N N 15 123.278 0.400 A 71 PRO HA H 1 4.391 0.030 A 71 PRO HBy H 1 2.218 0.030 A 71 PRO HBx H 1 1.818 0.030 A 71 PRO HDy H 1 3.770 0.030 A 71 PRO HDx H 1 3.612 0.030 A 71 PRO HG2 H 1 1.966 0.030 A 71 PRO HG3 H 1 1.966 0.030 A 71 PRO C C 13 176.178 0.400 A 71 PRO CA C 13 63.143 0.400 A 71 PRO CB C 13 31.837 0.400 A 71 PRO CD C 13 50.381 0.400 A 71 PRO CG C 13 27.087 0.400 A 72 PHE H H 1 8.177 0.030 A 72 PHE HA H 1 4.606 0.030 A 72 PHE HBx H 1 3.089 0.030 A 72 PHE HBy H 1 3.120 0.030 A 72 PHE HD1 H 1 7.271 0.030 A 72 PHE HD2 H 1 7.271 0.030 A 72 PHE C C 13 174.546 0.400 A 72 PHE CA C 13 57.543 0.400 A 72 PHE CB C 13 39.501 0.400 A 72 PHE CD1 C 13 131.673 0.400 A 72 PHE CD2 C 13 131.673 0.400 A 72 PHE N N 15 120.324 0.400 A 73 LYS H H 1 7.707 0.030 A 73 LYS HA H 1 4.096 0.030 A 73 LYS HBy H 1 1.761 0.030 A 73 LYS HBx H 1 1.682 0.030 A 73 LYS HD2 H 1 1.676 0.030 A 73 LYS HD3 H 1 1.676 0.030 A 73 LYS HE2 H 1 2.965 0.030 A 73 LYS HE3 H 1 2.965 0.030 A 73 LYS HG2 H 1 1.316 0.030 A 73 LYS HG3 H 1 1.316 0.030 A 73 LYS CA C 13 57.632 0.400 A 73 LYS CB C 13 33.920 0.400 A 73 LYS CD C 13 28.833 0.400 A 73 LYS CE C 13 41.958 0.400 A 73 LYS CG C 13 24.312 0.400 A 73 LYS N N 15 127.080 0.400 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-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 20 VAL H A 20 VAL HG2% 1.0 0.0 4.67 2 2 A 29 ASN HD2y A 32 MET HG2 1.0 0.0 4.97 3 2 A 29 ASN HD2y A 32 MET HG3 1.0 0.0 4.97 4 3 A 30 VAL H A 30 VAL HG1% 1.0 0.0 4.77 5 4 A 33 VAL H A 32 MET HB2 1.0 0.0 4.67 6 4 A 32 MET HB3 A 33 VAL H 1.0 0.0 4.67 7 5 A 33 VAL H A 33 VAL HG2% 1.0 0.0 4.61 8 6 A 35 LYS H A 36 ARG H 1.0 0.0 4.99 9 7 A 36 ARG H A 36 ARG HB2 1.0 0.0 4.37 10 7 A 36 ARG H A 36 ARG HB3 1.0 0.0 4.37 11 8 A 51 ALA HA A 52 SER H 1.0 0.0 3.65 12 9 A 52 SER H A 51 ALA HB% 1.0 0.0 4.11 13 10 A 71 PRO HA A 72 PHE H 1.0 0.0 3.32 14 11 A 48 GLN H A 49 CYS H 1.0 0.0 4.16 15 12 A 46 CYS HB3 A 51 ALA H 1.0 0.0 4.43 16 13 A 51 ALA HB% A 51 ALA H 1.0 0.0 4.01 17 14 A 53 PHE H A 53 PHE HD% 1.0 0.0 4.54 18 15 A 53 PHE H A 52 SER HB2 1.0 0.0 4.43 19 15 A 53 PHE H A 52 SER HB3 1.0 0.0 4.43 20 16 A 54 THR H A 55 GLN H 1.0 0.0 4.49 21 17 A 54 THR H A 54 THR HG2% 1.0 0.0 4.56 22 18 A 55 GLN HA A 55 GLN HE2x 1.0 0.0 4.47 23 19 A 55 GLN HA A 55 GLN HE2y 1.0 0.0 4.47 24 20 A 57 GLY H A 58 ASN H 1.0 0.0 4.54 25 21 A 58 ASN H A 58 ASN HB2 1.0 0.0 4.04 26 22 A 58 ASN H A 55 GLN HB3 1.0 0.0 4.75 27 23 A 59 LEU H A 60 LEU H 1.0 0.0 3.94 28 24 A 59 LEU H A 56 LYS HA 1.0 0.0 4.89 29 25 A 59 LEU H A 58 ASN HB3 1.0 0.0 5.27 30 26 A 59 LEU H A 59 LEU HB3 1.0 0.0 3.99 31 27 A 59 LEU H A 59 LEU HB2 1.0 0.0 4.25 32 28 A 60 LEU H A 61 ARG H 1.0 0.0 4.32 33 29 A 60 LEU H A 59 LEU HB3 1.0 0.0 4.24 34 30 A 60 LEU H A 60 LEU HG 1.0 0.0 3.87 35 31 A 60 LEU H A 59 LEU HG 1.0 0.0 4.74 36 32 A 60 LEU H A 59 LEU HB2 1.0 0.0 4.69 37 33 A 60 LEU H A 59 LEU HD2% 1.0 0.0 5.06 38 34 A 60 LEU H A 63 ILE HD1% 1.0 0.0 5.65 39 35 A 60 LEU H A 60 LEU HD2% 1.0 0.0 4.45 40 36 A 61 ARG H A 60 LEU HB2 1.0 0.0 3.96 41 37 A 61 ARG H A 61 ARG HB2 1.0 0.0 4.08 42 37 A 61 ARG H A 61 ARG HB3 1.0 0.0 4.08 43 38 A 61 ARG H A 60 LEU HB3 1.0 0.0 4.73 44 39 A 62 HIS H A 63 ILE H 1.0 0.0 4.11 45 40 A 62 HIS H A 62 HIS HB2 1.0 0.0 3.85 46 41 A 62 HIS H A 62 HIS HB3 1.0 0.0 3.96 47 42 A 62 HIS H A 61 ARG HB2 1.0 0.0 4.22 48 42 A 61 ARG HB3 A 62 HIS H 1.0 0.0 4.22 49 43 A 63 ILE H A 64 LYS H 1.0 0.0 4.46 50 44 A 63 ILE H A 62 HIS HB2 1.0 0.0 4.36 51 45 A 63 ILE H A 63 ILE HB 1.0 0.0 4.13 52 46 A 63 ILE H A 63 ILE HG1y 1.0 0.0 4.30 53 47 A 63 ILE H A 63 ILE HG1x 1.0 0.0 4.30 54 48 A 64 LYS H A 65 LEU H 1.0 0.0 4.21 55 49 A 64 LYS H A 63 ILE HG1y 1.0 0.0 4.21 56 50 A 64 LYS H A 64 LYS HBx 1.0 0.0 4.40 57 51 A 64 LYS H A 63 ILE HG1x 1.0 0.0 4.21 58 52 A 65 LEU H A 65 LEU HG 1.0 0.0 3.85 59 53 A 65 LEU H A 65 LEU HBy 1.0 0.0 4.32 60 54 A 65 LEU H A 65 LEU HBx 1.0 0.0 4.32 61 55 A 65 LEU H A 66 HIS H 1.0 0.0 4.11 62 56 A 66 HIS H A 67 SER H 1.0 0.0 3.95 63 57 A 67 SER H A 67 SER HB2 1.0 0.0 3.83 64 57 A 67 SER H A 67 SER HB3 1.0 0.0 3.83 65 58 A 69 GLU H A 69 GLU HG2 1.0 0.0 4.23 66 58 A 69 GLU H A 69 GLU HG3 1.0 0.0 4.23 67 59 A 69 GLU HA A 70 LYS H 1.0 0.0 3.34 68 60 A 70 LYS H A 70 LYS HD2 1.0 0.0 4.24 69 60 A 70 LYS H A 70 LYS HD3 1.0 0.0 4.24 70 61 A 70 LYS H A 70 LYS HG2 1.0 0.0 4.46 71 61 A 70 LYS H A 70 LYS HG3 1.0 0.0 4.46 72 62 A 72 PHE H A 73 LYS H 1.0 0.0 4.24 73 63 A 73 LYS H A 73 LYS HD2 1.0 0.0 5.00 74 63 A 73 LYS H A 73 LYS HD3 1.0 0.0 5.00 75 64 A 20 VAL H A 20 VAL HG1% 1.0 0.0 5.31 76 65 A 20 VAL H A 21 CYS H 1.0 0.0 5.26 77 66 A 21 CYS H A 20 VAL HB 1.0 0.0 5.31 78 67 A 33 VAL H A 34 HIS H 1.0 0.0 5.48 79 68 A 44 PHE H A 43 PRO HD2 1.0 0.0 5.08 80 68 A 43 PRO HD3 A 44 PHE H 1.0 0.0 5.08 81 69 A 44 PHE H A 44 PHE HD% 1.0 0.0 5.09 82 70 A 49 CYS H A 48 GLN HBx 1.0 0.0 5.23 83 71 A 55 GLN H A 53 PHE HBy 1.0 0.0 5.62 84 72 A 57 GLY H A 56 LYS H 1.0 0.0 5.15 85 73 A 55 GLN H A 58 ASN H 1.0 0.0 4.92 86 74 A 55 GLN HA A 58 ASN H 1.0 0.0 4.90 87 75 A 55 GLN H A 59 LEU H 1.0 0.0 4.92 88 76 A 59 LEU H A 62 HIS H 1.0 0.0 5.20 89 77 A 58 ASN HB2 A 59 LEU H 1.0 0.0 4.91 90 78 A 59 LEU H A 60 LEU HG 1.0 0.0 5.18 91 79 A 59 LEU H A 59 LEU HG 1.0 0.0 4.97 92 80 A 59 LEU H A 59 LEU HD2% 1.0 0.0 5.08 93 81 A 59 LEU H A 59 LEU HD1% 1.0 0.0 5.12 94 82 A 61 ARG H A 58 ASN HA 1.0 0.0 4.87 95 83 A 61 ARG H A 59 LEU HA 1.0 0.0 5.11 96 84 A 61 ARG H A 62 HIS HB3 1.0 0.0 5.52 97 85 A 61 ARG H A 61 ARG HGx 1.0 0.0 5.13 98 86 A 63 ILE H A 59 LEU HD1% 1.0 0.0 5.38 99 87 A 63 ILE H A 59 LEU HA 1.0 0.0 5.29 100 88 A 64 LYS H A 60 LEU HA 1.0 0.0 5.16 101 89 A 65 LEU H A 65 LEU HD2% 1.0 0.0 4.80 102 90 A 66 HIS H A 63 ILE HA 1.0 0.0 5.43 103 91 A 66 HIS H A 65 LEU HBx 1.0 0.0 5.50 104 92 A 67 SER H A 68 GLY H 1.0 0.0 5.05 105 93 A 72 PHE H A 71 PRO HG2 1.0 0.0 4.89 106 93 A 72 PHE H A 71 PRO HG3 1.0 0.0 4.89 107 94 A 72 PHE H A 72 PHE HD% 1.0 0.0 5.00 108 95 A 73 LYS H A 73 LYS HG2 1.0 0.0 4.99 109 95 A 73 LYS H A 73 LYS HG3 1.0 0.0 4.99 110 96 A 38 HIS H A 39 THR H 1.0 0.0 5.51 111 97 A 38 HIS H A 37 SER HB2 1.0 0.0 5.43 112 97 A 38 HIS H A 37 SER HB3 1.0 0.0 5.43 113 98 A 62 HIS H A 58 ASN HA 1.0 0.0 5.59 114 99 A 29 ASN HD2x A 32 MET HG2 1.0 0.0 4.97 115 99 A 32 MET HG3 A 29 ASN HD2x 1.0 0.0 4.97 116 100 A 24 VAL HG1% A 25 CYS H 1.0 0.0 5.50 117 101 A 30 VAL H A 29 ASN H 1.0 0.0 5.02 118 102 A 30 VAL H A 28 PRO HG2 1.0 0.0 5.43 119 102 A 30 VAL H A 28 PRO HG3 1.0 0.0 5.43 120 103 A 30 VAL H A 31 LEU H 1.0 0.0 5.44 121 104 A 35 LYS H A 34 HIS H 1.0 0.0 5.17 122 105 A 35 LYS H A 33 VAL HG1% 1.0 0.0 5.37 123 106 A 36 ARG H A 33 VAL HG1% 1.0 0.0 5.55 124 107 A 36 ARG H A 37 SER H 1.0 0.0 5.03 125 108 A 38 HIS H A 37 SER H 1.0 0.0 4.92 126 109 A 42 ARG H A 42 ARG HE 1.0 0.0 5.12 127 110 A 59 LEU HD1% A 46 CYS H 1.0 0.0 5.25 128 111 A 49 CYS H A 46 CYS HB3 1.0 0.0 5.34 129 112 A 49 CYS H A 51 ALA H 1.0 0.0 4.97 130 113 A 51 ALA H A 50 GLY H 1.0 0.0 4.67 131 114 A 46 CYS HB3 A 50 GLY H 1.0 0.0 5.74 132 115 A 50 GLY H A 49 CYS HBy 1.0 0.0 6.30 133 116 A 50 GLY H A 46 CYS HB2 1.0 0.0 5.89 134 117 A 52 SER H A 53 PHE HD% 1.0 0.0 5.62 135 118 A 53 PHE HD% A 54 THR H 1.0 0.0 5.82 136 119 A 56 LYS H A 44 PHE HE% 1.0 0.0 5.43 137 120 A 58 ASN H A 60 LEU H 1.0 0.0 5.34 138 121 A 58 ASN H A 55 GLN HB2 1.0 0.0 5.31 139 122 A 60 LEU H A 60 LEU HB2 1.0 0.0 3.87 140 123 A 64 LYS H A 63 ILE HB 1.0 0.0 5.13 141 124 A 63 ILE HD1% A 64 LYS H 1.0 0.0 5.44 142 125 A 57 GLY H A 55 GLN HB2 1.0 0.0 5.23 143 126 A 58 ASN H A 59 LEU HB2 1.0 0.0 5.49 144 127 A 61 ARG H A 60 LEU HD2% 1.0 0.0 5.42 145 128 A 61 ARG H A 60 LEU HD1% 1.0 0.0 5.40 146 129 A 63 ILE H A 62 HIS HB3 1.0 0.0 5.59 147 130 A 63 ILE H A 60 LEU HA 1.0 0.0 5.15 148 131 A 33 VAL H A 32 MET H 1.0 0.0 4.69 149 132 A 58 ASN H A 61 ARG H 1.0 0.0 5.45 150 133 A 58 ASN H A 59 LEU HD2% 1.0 0.0 6.30 151 134 A 63 ILE HD1% A 63 ILE H 1.0 0.0 5.45 152 135 A 14 GLY H A 15 LYS H 1.0 0.0 4.84 153 136 A 21 CYS H A 22 GLY H 1.0 0.0 4.69 154 137 A 22 GLY H A 23 MET H 1.0 0.0 5.47 155 138 A 26 ILE H A 26 ILE HD1% 1.0 0.0 5.67 156 139 A 34 HIS H A 33 VAL HB 1.0 0.0 6.23 157 140 A 39 THR H A 39 THR HG2% 1.0 0.0 5.41 158 141 A 55 GLN H A 56 LYS HA 1.0 0.0 6.20 159 142 A 55 GLN H A 58 ASN HB3 1.0 0.0 6.30 160 143 A 55 GLN HB3 A 56 LYS H 1.0 0.0 5.80 161 144 A 57 GLY H A 60 LEU HD1% 1.0 0.0 6.30 162 145 A 61 ARG H A 63 ILE H 1.0 0.0 5.62 163 146 A 53 PHE HD% A 59 LEU H 1.0 0.0 5.19 164 147 A 59 LEU H A 44 PHE HD% 1.0 0.0 5.53 165 148 A 62 HIS H A 61 ARG HD2 1.0 0.0 4.66 166 148 A 62 HIS H A 61 ARG HD3 1.0 0.0 4.66 167 149 A 69 GLU H A 68 GLY H 1.0 0.0 5.18 168 150 A 49 CYS H A 48 GLN HBy 1.0 0.0 5.23 169 151 A 66 HIS H A 70 LYS HD2 1.0 0.0 5.62 170 151 A 66 HIS H A 70 LYS HD3 1.0 0.0 5.62 171 152 A 64 LYS H A 66 HIS H 1.0 0.0 5.07 172 153 A 53 PHE H A 54 THR H 1.0 0.0 5.24 173 154 A 15 LYS HA A 16 LEU HD2% 1.0 0.0 5.37 174 155 A 60 LEU HD2% A 60 LEU HA 1.0 0.0 3.65 175 156 A 64 LYS H A 64 LYS HBy 1.0 0.0 4.40 176 157 A 30 VAL H A 30 VAL HG2% 1.0 0.0 4.94 177 158 A 33 VAL HG2% A 30 VAL HA 1.0 0.0 5.03 178 159 A 33 VAL HG2% A 33 VAL HA 1.0 0.0 4.46 179 160 A 65 LEU HD2% A 65 LEU HA 1.0 0.0 3.65 180 161 A 61 ARG HB2 A 61 ARG HD2 1.0 0.0 3.68 181 161 A 61 ARG HB3 A 61 ARG HD2 1.0 0.0 3.68 182 161 A 61 ARG HD3 A 61 ARG HB2 1.0 0.0 3.68 183 161 A 61 ARG HB3 A 61 ARG HD3 1.0 0.0 3.68 184 162 A 51 ALA HB% A 53 PHE HE% 1.0 0.0 4.60 185 163 A 54 THR HG2% A 55 GLN HA 1.0 0.0 4.42 186 164 A 55 GLN H A 55 GLN HG2 1.0 0.0 5.16 187 164 A 55 GLN H A 55 GLN HG3 1.0 0.0 5.16 188 165 A 55 GLN HA A 55 GLN HG2 1.0 0.0 4.40 189 165 A 55 GLN HA A 55 GLN HG3 1.0 0.0 4.40 190 166 A 56 LYS HA A 59 LEU HB3 1.0 0.0 4.97 191 167 A 56 LYS HA A 60 LEU HD1% 1.0 0.0 5.35 192 168 A 59 LEU HD1% A 62 HIS HD2 1.0 0.0 4.84 193 169 A 59 LEU HD1% A 46 CYS HA 1.0 0.0 4.75 194 170 A 59 LEU HD1% A 59 LEU HA 1.0 0.0 4.24 195 171 A 59 LEU HD1% A 46 CYS HB2 1.0 0.0 5.20 196 172 A 60 LEU HD2% A 60 LEU HB3 1.0 0.0 4.00 197 173 A 60 LEU HD2% A 60 LEU HB2 1.0 0.0 4.22 198 174 A 60 LEU HG A 59 LEU HD1% 1.0 0.0 6.30 199 175 A 61 ARG H A 61 ARG HGy 1.0 0.0 5.13 200 176 A 62 HIS H A 61 ARG HGy 1.0 0.0 5.58 201 177 A 58 ASN HA A 61 ARG HB2 1.0 0.0 4.81 202 177 A 61 ARG HB3 A 58 ASN HA 1.0 0.0 4.81 203 178 A 63 ILE HB A 60 LEU HA 1.0 0.0 5.58 204 179 A 63 ILE HD1% A 60 LEU HA 1.0 0.0 4.66 205 180 A 63 ILE HD1% A 63 ILE HB 1.0 0.0 4.09 206 181 A 63 ILE H A 63 ILE HG2% 1.0 0.0 4.54 207 182 A 63 ILE HA A 63 ILE HG2% 1.0 0.0 4.29 208 183 A 64 LYS HA A 70 LYS HD2 1.0 0.0 4.32 209 183 A 70 LYS HD3 A 64 LYS HA 1.0 0.0 4.32 210 184 A 65 LEU HD1% A 64 LYS HE2 1.0 0.0 4.44 211 184 A 64 LYS HE3 A 65 LEU HD1% 1.0 0.0 4.44 212 185 A 24 VAL H A 24 VAL HG2% 1.0 0.0 5.30 213 186 A 26 ILE H A 26 ILE HG2% 1.0 0.0 5.30 214 187 A 30 VAL H A 29 ASN HBy 1.0 0.0 6.10 215 188 A 30 VAL H A 29 ASN HBx 1.0 0.0 6.10 216 189 A 33 VAL HG1% A 32 MET HB2 1.0 0.0 5.24 217 189 A 32 MET HB3 A 33 VAL HG1% 1.0 0.0 5.24 218 190 A 33 VAL HB A 30 VAL HA 1.0 0.0 5.59 219 191 A 33 VAL HG1% A 30 VAL HA 1.0 0.0 5.95 220 192 A 35 LYS HA A 35 LYS HD2 1.0 0.0 5.35 221 192 A 35 LYS HA A 35 LYS HD3 1.0 0.0 5.35 222 193 A 73 LYS HA A 73 LYS HD2 1.0 0.0 6.15 223 193 A 73 LYS HD3 A 73 LYS HA 1.0 0.0 6.15 224 194 A 64 LYS H A 70 LYS HD2 1.0 0.0 5.59 225 194 A 64 LYS H A 70 LYS HD3 1.0 0.0 5.59 226 195 A 73 LYS H A 73 LYS HE2 1.0 0.0 5.55 227 195 A 73 LYS H A 73 LYS HE3 1.0 0.0 5.55 228 196 A 72 PHE HD% A 73 LYS HE2 1.0 0.0 5.50 229 196 A 72 PHE HD% A 73 LYS HE3 1.0 0.0 5.50 230 197 A 59 LEU HB2 A 44 PHE HBx 1.0 0.0 5.71 231 198 A 70 LYS HA A 71 PRO HG2 1.0 0.0 5.35 232 198 A 71 PRO HG3 A 70 LYS HA 1.0 0.0 5.35 233 199 A 70 LYS HG3 A 71 PRO HG2 1.0 0.0 4.60 234 199 A 70 LYS HG2 A 71 PRO HG2 1.0 0.0 4.60 235 199 A 71 PRO HG3 A 70 LYS HG2 1.0 0.0 4.60 236 199 A 70 LYS HG3 A 71 PRO HG3 1.0 0.0 4.60 237 200 A 70 LYS HA A 70 LYS HD2 1.0 0.0 5.41 238 200 A 70 LYS HD3 A 70 LYS HA 1.0 0.0 5.41 239 201 A 15 LYS HA A 15 LYS HD2 1.0 0.0 5.34 240 201 A 15 LYS HA A 15 LYS HD3 1.0 0.0 5.34 241 202 A 69 GLU HA A 69 GLU HG2 1.0 0.0 4.37 242 202 A 69 GLU HG3 A 69 GLU HA 1.0 0.0 4.37 243 203 A 65 LEU HG A 62 HIS HA 1.0 0.0 6.07 244 204 A 62 HIS HB2 A 63 ILE HG2% 1.0 0.0 5.41 245 205 A 64 LYS H A 63 ILE HG2% 1.0 0.0 5.47 246 206 A 63 ILE HD1% A 63 ILE HA 1.0 0.0 5.27 247 207 A 62 HIS HA A 61 ARG HB2 1.0 0.0 5.42 248 207 A 61 ARG HB3 A 62 HIS HA 1.0 0.0 5.42 249 208 A 62 HIS H A 61 ARG HGx 1.0 0.0 5.58 250 209 A 58 ASN HA A 61 ARG HD2 1.0 0.0 5.64 251 209 A 58 ASN HA A 61 ARG HD3 1.0 0.0 5.64 252 210 A 61 ARG HA A 61 ARG HD2 1.0 0.0 5.31 253 210 A 61 ARG HD3 A 61 ARG HA 1.0 0.0 5.31 254 211 A 59 LEU HD1% A 60 LEU HA 1.0 0.0 4.96 255 212 A 59 LEU HB3 A 60 LEU HA 1.0 0.0 5.33 256 213 A 59 LEU HD1% A 63 ILE HG2% 1.0 0.0 5.37 257 214 A 59 LEU HD2% A 44 PHE HA 1.0 0.0 5.37 258 215 A 59 LEU HB3 A 60 LEU HG 1.0 0.0 5.52 259 216 A 44 PHE HD% A 59 LEU HA 1.0 0.0 6.15 260 217 A 56 LYS HA A 60 LEU HB3 1.0 0.0 6.30 261 218 A 60 LEU H A 56 LYS HA 1.0 0.0 5.81 262 219 A 59 LEU H A 55 GLN HB2 1.0 0.0 6.30 263 220 A 53 PHE HD% A 54 THR HG2% 1.0 0.0 5.72 264 221 A 51 ALA HB% A 46 CYS HB2 1.0 0.0 5.21 265 222 A 50 GLY H A 49 CYS HBx 1.0 0.0 6.30 266 223 A 48 GLN H A 48 GLN HGy 1.0 0.0 5.51 267 224 A 48 GLN H A 48 GLN HGx 1.0 0.0 5.51 268 225 A 53 PHE HD% A 46 CYS HB2 1.0 0.0 5.62 269 226 A 42 ARG HB3 A 43 PRO HD2 1.0 0.0 5.70 270 226 A 42 ARG HB2 A 43 PRO HD2 1.0 0.0 5.70 271 226 A 43 PRO HD3 A 42 ARG HB2 1.0 0.0 5.70 272 226 A 43 PRO HD3 A 42 ARG HB3 1.0 0.0 5.70 273 227 A 36 ARG H A 36 ARG HD2 1.0 0.0 5.86 274 227 A 36 ARG H A 36 ARG HD3 1.0 0.0 5.86 275 228 A 45 HIS HA A 52 SER HA 1.0 0.0 3.55 276 229 A 65 LEU HA A 65 LEU HD1% 1.0 0.0 5.66 277 230 A 65 LEU H A 63 ILE HG2% 1.0 0.0 5.81 278 231 A 59 LEU HG A 63 ILE HD1% 1.0 0.0 4.21 279 232 A 63 ILE HD1% A 63 ILE HG2% 1.0 0.0 3.43 280 233 A 65 LEU HD2% A 62 HIS HA 1.0 0.0 5.11 281 234 A 31 LEU HA A 31 LEU HD2% 1.0 0.0 5.45 282 235 A 65 LEU HD1% A 61 ARG HB2 1.0 0.0 5.69 283 235 A 61 ARG HB3 A 65 LEU HD1% 1.0 0.0 5.69 284 236 A 63 ILE HD1% A 62 HIS HD2 1.0 0.0 5.66 285 237 A 63 ILE HG2% A 64 LYS HA 1.0 0.0 5.78 286 238 A 60 LEU HA A 63 ILE HG2% 1.0 0.0 5.48 287 239 A 63 ILE HG2% A 61 ARG HA 1.0 0.0 6.30 288 240 A 62 HIS HB3 A 59 LEU HA 1.0 0.0 4.88 289 241 A 60 LEU H A 61 ARG HB2 1.0 0.0 5.72 290 241 A 60 LEU H A 61 ARG HB3 1.0 0.0 5.72 291 242 A 65 LEU HD1% A 61 ARG HD2 1.0 0.0 5.64 292 242 A 61 ARG HD3 A 65 LEU HD1% 1.0 0.0 5.64 293 243 A 56 LYS HA A 60 LEU HD2% 1.0 0.0 6.30 294 244 A 62 HIS H A 59 LEU HD1% 1.0 0.0 5.45 295 245 A 56 LYS HA A 59 LEU HD2% 1.0 0.0 5.22 296 246 A 58 ASN HB2 A 59 LEU HD2% 1.0 0.0 6.30 297 247 A 59 LEU HD2% A 62 HIS HB3 1.0 0.0 6.30 298 248 A 53 PHE HD% A 59 LEU HB3 1.0 0.0 5.38 299 249 A 56 LYS H A 55 GLN HG2 1.0 0.0 5.69 300 249 A 56 LYS H A 55 GLN HG3 1.0 0.0 5.69 301 250 A 54 THR HG2% A 55 GLN HG2 1.0 0.0 5.04 302 250 A 54 THR HG2% A 55 GLN HG3 1.0 0.0 5.04 303 251 A 54 THR HB A 55 GLN HG2 1.0 0.0 5.24 304 251 A 55 GLN HG3 A 54 THR HB 1.0 0.0 5.24 305 252 A 54 THR HG2% A 53 PHE HA 1.0 0.0 6.05 306 253 A 55 GLN H A 53 PHE HBx 1.0 0.0 5.62 307 254 A 51 ALA H A 52 SER HB2 1.0 0.0 5.69 308 254 A 51 ALA H A 52 SER HB3 1.0 0.0 5.69 309 255 A 51 ALA HB% A 53 PHE HD% 1.0 0.0 5.59 310 256 A 51 ALA HB% A 46 CYS HB3 1.0 0.0 5.19 311 257 A 59 LEU HB2 A 44 PHE HBy 1.0 0.0 5.71 312 258 A 29 ASN H A 30 VAL HG2% 1.0 0.0 5.91 313 259 A 32 MET HG2 A 35 LYS HB2 1.0 0.0 5.03 314 259 A 32 MET HG3 A 35 LYS HB2 1.0 0.0 5.03 315 259 A 35 LYS HB3 A 32 MET HG2 1.0 0.0 5.03 316 259 A 32 MET HG3 A 35 LYS HB3 1.0 0.0 5.03 317 260 A 33 VAL HA A 32 MET HG2 1.0 0.0 5.79 318 260 A 32 MET HG3 A 33 VAL HA 1.0 0.0 5.79 319 261 A 34 HIS H A 32 MET HG2 1.0 0.0 5.57 320 261 A 32 MET HG3 A 34 HIS H 1.0 0.0 5.57 321 262 A 39 THR HG2% A 36 ARG HA 1.0 0.0 5.63 322 263 A 70 LYS H A 69 GLU HG2 1.0 0.0 6.30 323 263 A 69 GLU HG3 A 70 LYS H 1.0 0.0 6.30 324 264 A 55 GLN HB3 A 56 LYS HA 1.0 0.0 6.03 325 265 A 56 LYS HA A 60 LEU HG 1.0 0.0 5.87 326 266 A 56 LYS HA A 60 LEU HB2 1.0 0.0 6.07 327 267 A 24 VAL H A 23 MET HG2 1.0 0.0 5.94 328 267 A 24 VAL H A 23 MET HG3 1.0 0.0 5.94 329 268 A 58 ASN HB3 A 53 PHE HZ 1.0 0.0 5.89 330 269 A 33 VAL HG2% A 32 MET HG2 1.0 0.0 5.07 331 269 A 32 MET HG3 A 33 VAL HG2% 1.0 0.0 5.07 332 270 A 39 THR HG2% A 36 ARG HD2 1.0 0.0 5.87 333 270 A 39 THR HG2% A 36 ARG HD3 1.0 0.0 5.87 334 271 A 66 HIS H A 65 LEU HBy 1.0 0.0 5.50 335 272 A 62 HIS HB3 A 65 LEU HD1% 1.0 0.0 6.22 336 273 A 33 VAL HG2% A 32 MET HB2 1.0 0.0 5.63 337 273 A 32 MET HB3 A 33 VAL HG2% 1.0 0.0 5.63 338 274 A 17 LYS H A 16 LEU HB2 1.0 0.0 5.66 339 274 A 16 LEU HB3 A 17 LYS H 1.0 0.0 5.66 340 275 A 15 LYS H A 16 LEU HB2 1.0 0.0 5.70 341 275 A 15 LYS H A 16 LEU HB3 1.0 0.0 5.70 342 276 A 61 ARG H A 63 ILE HG2% 1.0 0.0 5.96 343 277 A 57 GLY H A 55 GLN HG2 1.0 0.0 5.76 344 277 A 57 GLY H A 55 GLN HG3 1.0 0.0 5.76 345 278 A 49 CYS H A 46 CYS HB2 1.0 0.0 6.30 346 279 A 44 PHE HD% A 44 PHE HA 1.0 0.0 3.97 347 280 A 59 LEU HD2% A 44 PHE HD% 1.0 0.0 4.03 348 281 A 53 PHE HD% A 58 ASN HB2 1.0 0.0 4.28 349 282 A 46 CYS HB2 A 62 HIS HD2 1.0 0.0 4.00 350 283 A 63 ILE HA A 66 HIS HD2 1.0 0.0 3.76 351 284 A 73 LYS H A 72 PHE HD% 1.0 0.0 4.21 352 285 A 72 PHE HD% A 72 PHE HA 1.0 0.0 4.16 353 286 A 53 PHE HD% A 59 LEU HD1% 1.0 0.0 4.24 354 287 A 53 PHE HD% A 58 ASN HB3 1.0 0.0 4.55 355 288 A 53 PHE HD% A 59 LEU HA 1.0 0.0 5.03 356 289 A 44 PHE HE% A 44 PHE HA 1.0 0.0 4.59 357 290 A 59 LEU HB2 A 44 PHE HE% 1.0 0.0 6.30 358 291 A 66 HIS H A 66 HIS HD2 1.0 0.0 4.56 359 292 A 44 PHE HE% A 56 LYS HD2 1.0 0.0 5.18 360 292 A 44 PHE HE% A 56 LYS HD3 1.0 0.0 5.18 361 293 A 59 LEU HB2 A 44 PHE HD% 1.0 0.0 4.64 362 294 A 59 LEU HD1% A 53 PHE HE% 1.0 0.0 3.87 363 295 A 58 ASN HB2 A 53 PHE HE% 1.0 0.0 4.90 364 296 A 59 LEU HA A 53 PHE HE% 1.0 0.0 4.76 365 297 A 53 PHE HD% A 59 LEU HB2 1.0 0.0 4.54 366 298 A 51 ALA HB% A 62 HIS HD2 1.0 0.0 5.01 367 299 A 62 HIS HD2 A 63 ILE HG2% 1.0 0.0 4.38 368 300 A 53 PHE HE% A 62 HIS HD2 1.0 0.0 3.79 369 301 A 63 ILE HA A 62 HIS HD2 1.0 0.0 4.66 370 302 A 51 ALA HB% A 53 PHE HZ 1.0 0.0 4.17 371 303 A 53 PHE HD% A 53 PHE HA 1.0 0.0 4.82 372 304 A 46 CYS HB3 A 62 HIS HD2 1.0 0.0 4.66 373 305 A 21 CYS H A 22 GLY HAy 1.0 0.0 5.12 374 305 A 21 CYS H A 22 GLY HAx 1.0 0.0 5.12 375 306 A 26 ILE H A 26 ILE HG1x 1.0 0.0 5.66 376 306 A 26 ILE H A 26 ILE HG1y 1.0 0.0 5.66 377 307 A 30 VAL HG1% A 28 PRO HBy 1.0 0.0 5.04 378 307 A 30 VAL HG1% A 28 PRO HBx 1.0 0.0 5.04 379 308 A 30 VAL HG1% A 28 PRO HDy 1.0 0.0 4.90 380 308 A 30 VAL HG1% A 28 PRO HDx 1.0 0.0 4.90 381 309 A 32 MET HB3 A 29 ASN HD2x 1.0 0.0 5.33 382 309 A 29 ASN HD2y A 32 MET HB3 1.0 0.0 5.33 383 309 A 29 ASN HD2x A 32 MET HB2 1.0 0.0 5.33 384 309 A 29 ASN HD2y A 32 MET HB2 1.0 0.0 5.33 385 310 A 29 ASN HD2x A 32 MET HG2 1.0 0.0 4.32 386 310 A 32 MET HG3 A 29 ASN HD2x 1.0 0.0 4.32 387 310 A 29 ASN HD2y A 32 MET HG3 1.0 0.0 4.32 388 310 A 29 ASN HD2y A 32 MET HG2 1.0 0.0 4.32 389 311 A 33 VAL HG1% A 34 HIS HBy 1.0 0.0 6.10 390 311 A 33 VAL HG1% A 34 HIS HBx 1.0 0.0 6.10 391 312 A 36 ARG H A 36 ARG HGx 1.0 0.0 5.26 392 312 A 36 ARG H A 36 ARG HGy 1.0 0.0 5.26 393 313 A 41 GLU H A 41 GLU HGx 1.0 0.0 4.99 394 313 A 41 GLU H A 41 GLU HGy 1.0 0.0 4.99 395 314 A 42 ARG HA A 41 GLU HBy 1.0 0.0 5.31 396 314 A 41 GLU HBx A 42 ARG HA 1.0 0.0 5.31 397 315 A 41 GLU HBy A 43 PRO HD2 1.0 0.0 5.92 398 315 A 43 PRO HD3 A 41 GLU HBy 1.0 0.0 5.92 399 315 A 43 PRO HD3 A 41 GLU HBx 1.0 0.0 5.92 400 315 A 41 GLU HBx A 43 PRO HD2 1.0 0.0 5.92 401 316 A 42 ARG H A 41 GLU HGx 1.0 0.0 6.10 402 316 A 42 ARG H A 41 GLU HGy 1.0 0.0 6.10 403 317 A 53 PHE H A 44 PHE HBy 1.0 0.0 5.33 404 317 A 53 PHE H A 44 PHE HBx 1.0 0.0 5.33 405 318 A 44 PHE HBx A 53 PHE HBy 1.0 0.0 4.82 406 318 A 53 PHE HBx A 44 PHE HBy 1.0 0.0 4.82 407 318 A 44 PHE HBx A 53 PHE HBx 1.0 0.0 4.82 408 318 A 44 PHE HBy A 53 PHE HBy 1.0 0.0 4.82 409 319 A 59 LEU HB2 A 44 PHE HBy 1.0 0.0 4.90 410 319 A 59 LEU HB2 A 44 PHE HBx 1.0 0.0 4.90 411 320 A 59 LEU HB3 A 44 PHE HBy 1.0 0.0 5.26 412 320 A 59 LEU HB3 A 44 PHE HBx 1.0 0.0 5.26 413 321 A 59 LEU HD1% A 44 PHE HBy 1.0 0.0 5.80 414 321 A 59 LEU HD1% A 44 PHE HBx 1.0 0.0 5.80 415 322 A 59 LEU HD2% A 44 PHE HBy 1.0 0.0 4.33 416 322 A 59 LEU HD2% A 44 PHE HBx 1.0 0.0 4.33 417 323 A 44 PHE HE% A 56 LYS HGx 1.0 0.0 5.71 418 323 A 44 PHE HE% A 56 LYS HGy 1.0 0.0 5.71 419 324 A 48 GLN H A 48 GLN HGx 1.0 0.0 4.75 420 324 A 48 GLN H A 48 GLN HGy 1.0 0.0 4.75 421 325 A 48 GLN H A 48 GLN HE2x 1.0 0.0 5.39 422 325 A 48 GLN H A 48 GLN HE2y 1.0 0.0 5.39 423 326 A 66 HIS HE1 A 49 CYS HBy 1.0 0.0 3.95 424 326 A 49 CYS HBx A 66 HIS HE1 1.0 0.0 3.95 425 327 A 58 ASN HB3 A 53 PHE HBy 1.0 0.0 5.48 426 327 A 58 ASN HB3 A 53 PHE HBx 1.0 0.0 5.48 427 328 A 59 LEU H A 53 PHE HBy 1.0 0.0 5.70 428 328 A 59 LEU H A 53 PHE HBx 1.0 0.0 5.70 429 329 A 55 GLN HA A 55 GLN HE2x 1.0 0.0 3.72 430 329 A 55 GLN HA A 55 GLN HE2y 1.0 0.0 3.72 431 330 A 56 LYS H A 56 LYS HBy 1.0 0.0 3.87 432 330 A 56 LYS H A 56 LYS HBx 1.0 0.0 3.87 433 331 A 57 GLY H A 56 LYS HBy 1.0 0.0 4.46 434 331 A 57 GLY H A 56 LYS HBx 1.0 0.0 4.46 435 332 A 58 ASN H A 56 LYS HBy 1.0 0.0 6.10 436 332 A 58 ASN H A 56 LYS HBx 1.0 0.0 6.10 437 333 A 60 LEU HG A 56 LYS HBy 1.0 0.0 4.85 438 333 A 60 LEU HG A 56 LYS HBx 1.0 0.0 4.85 439 334 A 57 GLY H A 56 LYS HGx 1.0 0.0 6.06 440 334 A 57 GLY H A 56 LYS HGy 1.0 0.0 6.06 441 335 A 60 LEU HG A 56 LYS HGx 1.0 0.0 5.99 442 335 A 60 LEU HG A 56 LYS HGy 1.0 0.0 5.99 443 336 A 56 LYS HD2 A 57 GLY HAx 1.0 0.0 5.90 444 336 A 56 LYS HD3 A 57 GLY HAx 1.0 0.0 5.90 445 336 A 57 GLY HAy A 56 LYS HD2 1.0 0.0 5.90 446 336 A 56 LYS HD3 A 57 GLY HAy 1.0 0.0 5.90 447 337 A 60 LEU H A 57 GLY HAx 1.0 0.0 5.16 448 337 A 60 LEU H A 57 GLY HAy 1.0 0.0 5.16 449 338 A 60 LEU HB2 A 57 GLY HAx 1.0 0.0 5.01 450 338 A 60 LEU HB2 A 57 GLY HAy 1.0 0.0 5.01 451 339 A 60 LEU HG A 57 GLY HAx 1.0 0.0 5.79 452 339 A 60 LEU HG A 57 GLY HAy 1.0 0.0 5.79 453 340 A 60 LEU HD2% A 57 GLY HAx 1.0 0.0 5.71 454 340 A 60 LEU HD2% A 57 GLY HAy 1.0 0.0 5.71 455 341 A 58 ASN HA A 61 ARG HGy 1.0 0.0 5.67 456 341 A 58 ASN HA A 61 ARG HGx 1.0 0.0 5.67 457 342 A 59 LEU HD1% A 63 ILE HG1x 1.0 0.0 5.68 458 342 A 59 LEU HD1% A 63 ILE HG1y 1.0 0.0 5.68 459 343 A 60 LEU HA A 63 ILE HG1x 1.0 0.0 4.75 460 343 A 60 LEU HA A 63 ILE HG1y 1.0 0.0 4.75 461 344 A 61 ARG H A 61 ARG HGy 1.0 0.0 4.40 462 344 A 61 ARG H A 61 ARG HGx 1.0 0.0 4.40 463 345 A 61 ARG HA A 63 ILE HG1x 1.0 0.0 5.48 464 345 A 61 ARG HA A 63 ILE HG1y 1.0 0.0 5.48 465 346 A 65 LEU HD1% A 61 ARG HGy 1.0 0.0 5.89 466 346 A 65 LEU HD1% A 61 ARG HGx 1.0 0.0 5.89 467 347 A 62 HIS H A 63 ILE HG1x 1.0 0.0 4.83 468 347 A 62 HIS H A 63 ILE HG1y 1.0 0.0 4.83 469 348 A 62 HIS HD2 A 63 ILE HG1x 1.0 0.0 5.18 470 348 A 62 HIS HD2 A 63 ILE HG1y 1.0 0.0 5.18 471 349 A 63 ILE H A 63 ILE HG1x 1.0 0.0 3.76 472 349 A 63 ILE H A 63 ILE HG1y 1.0 0.0 3.76 473 350 A 64 LYS H A 63 ILE HG1x 1.0 0.0 3.69 474 350 A 64 LYS H A 63 ILE HG1y 1.0 0.0 3.69 475 351 A 64 LYS H A 64 LYS HGy 1.0 0.0 4.68 476 351 A 64 LYS H A 64 LYS HGx 1.0 0.0 4.68 477 352 A 65 LEU H A 64 LYS HBy 1.0 0.0 4.41 478 352 A 65 LEU H A 64 LYS HBx 1.0 0.0 4.41 479 353 A 65 LEU HD2% A 64 LYS HBy 1.0 0.0 5.27 480 353 A 65 LEU HD2% A 64 LYS HBx 1.0 0.0 5.27 481 354 A 64 LYS HBy A 70 LYS HD2 1.0 0.0 3.45 482 354 A 64 LYS HBx A 70 LYS HD2 1.0 0.0 3.45 483 354 A 70 LYS HD3 A 64 LYS HBy 1.0 0.0 3.45 484 354 A 70 LYS HD3 A 64 LYS HBx 1.0 0.0 3.45 485 355 A 65 LEU H A 65 LEU HBy 1.0 0.0 3.60 486 355 A 65 LEU H A 65 LEU HBx 1.0 0.0 3.60 487 356 A 66 HIS H A 65 LEU HBy 1.0 0.0 4.62 488 356 A 66 HIS H A 65 LEU HBx 1.0 0.0 4.62 489 357 A 66 HIS H A 66 HIS HBx 1.0 0.0 3.73 490 357 A 66 HIS H A 66 HIS HBy 1.0 0.0 3.73 491 358 A 66 HIS HD2 A 66 HIS HBx 1.0 0.0 3.62 492 358 A 66 HIS HD2 A 66 HIS HBy 1.0 0.0 3.62 493 359 A 69 GLU H A 69 GLU HBx 1.0 0.0 3.64 494 359 A 69 GLU H A 69 GLU HBy 1.0 0.0 3.64 495 360 A 69 GLU H A 70 LYS HBy 1.0 0.0 5.13 496 360 A 69 GLU H A 70 LYS HBx 1.0 0.0 5.13 497 361 A 69 GLU HA A 70 LYS HBy 1.0 0.0 5.30 498 361 A 69 GLU HA A 70 LYS HBx 1.0 0.0 5.30 499 362 A 70 LYS H A 69 GLU HBx 1.0 0.0 4.24 500 362 A 70 LYS H A 69 GLU HBy 1.0 0.0 4.24 501 363 A 70 LYS HA A 71 PRO HDy 1.0 0.0 3.57 502 363 A 70 LYS HA A 71 PRO HDx 1.0 0.0 3.57 503 364 A 70 LYS HBx A 71 PRO HDy 1.0 0.0 3.74 504 364 A 70 LYS HBy A 71 PRO HDy 1.0 0.0 3.74 505 364 A 71 PRO HDx A 70 LYS HBy 1.0 0.0 3.74 506 364 A 70 LYS HBx A 71 PRO HDx 1.0 0.0 3.74 507 365 A 73 LYS H A 71 PRO HBy 1.0 0.0 5.03 508 365 A 73 LYS H A 71 PRO HBx 1.0 0.0 5.03 509 366 A 71 PRO HG3 A 72 PHE HBx 1.0 0.0 6.09 510 366 A 71 PRO HG2 A 72 PHE HBx 1.0 0.0 6.09 511 366 A 72 PHE HBy A 71 PRO HG2 1.0 0.0 6.09 512 366 A 71 PRO HG3 A 72 PHE HBy 1.0 0.0 6.09 513 367 A 72 PHE H A 72 PHE HBx 1.0 0.0 3.64 514 367 A 72 PHE H A 72 PHE HBy 1.0 0.0 3.64 515 368 A 72 PHE H A 73 LYS HBy 1.0 0.0 6.10 516 368 A 72 PHE H A 73 LYS HBx 1.0 0.0 6.10 517 369 A 73 LYS H A 72 PHE HBx 1.0 0.0 4.42 518 369 A 73 LYS H A 72 PHE HBy 1.0 0.0 4.42 519 370 A 62 HIS NE2 A 66 HIS NE2 1.0 0.0 3.68 520 371 A 46 CYS SG A 62 HIS NE2 1.0 0.0 3.99 521 372 A 49 CYS SG A 62 HIS NE2 1.0 0.0 3.99 522 373 A 46 CYS SG A 49 CYS SG 1.0 0.0 4.09 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 29 ASN C A 30 VAL N A 30 VAL CA A 30 VAL C 1.0 -77.9 -53.5 PHI 2 2 A 30 VAL N A 30 VAL CA A 30 VAL C A 31 LEU N 1.0 -56.6 -28.4 PSI 3 3 A 30 VAL C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -74.2 -54.2 PHI 4 4 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 MET N 1.0 -50.9 -30.9 PSI 5 5 A 31 LEU C A 32 MET N A 32 MET CA A 32 MET C 1.0 -75.0 -53.2 PHI 6 6 A 32 MET N A 32 MET CA A 32 MET C A 33 VAL N 1.0 -49.7 -29.7 PSI 7 7 A 32 MET C A 33 VAL N A 33 VAL CA A 33 VAL C 1.0 -75.3 -55.3 PHI 8 8 A 33 VAL N A 33 VAL CA A 33 VAL C A 34 HIS N 1.0 -52.4 -32.4 PSI 9 9 A 33 VAL C A 34 HIS N A 34 HIS CA A 34 HIS C 1.0 -72.8 -52.8 PHI 10 10 A 34 HIS N A 34 HIS CA A 34 HIS C A 35 LYS N 1.0 -53.6 -28.2 PSI 11 11 A 34 HIS C A 35 LYS N A 35 LYS CA A 35 LYS C 1.0 -73.4 -51.2 PHI 12 12 A 35 LYS N A 35 LYS CA A 35 LYS C A 36 ARG N 1.0 -58.6 -28.2 PSI 13 13 A 35 LYS C A 36 ARG N A 36 ARG CA A 36 ARG C 1.0 -79.5 -48.9 PHI 14 14 A 36 ARG N A 36 ARG CA A 36 ARG C A 37 SER N 1.0 -56.2 -7.2 PSI 15 15 A 36 ARG C A 37 SER N A 37 SER CA A 37 SER C 1.0 -87.3 -49.1 PHI 16 16 A 37 SER N A 37 SER CA A 37 SER C A 38 HIS N 1.0 -47.7 -3.3 PSI 17 17 A 41 GLU C A 42 ARG N A 42 ARG CA A 42 ARG C 1.0 -110.9 -54.9 PHI 18 18 A 42 ARG N A 42 ARG CA A 42 ARG C A 43 PRO N 1.0 104.5 166.5 PSI 19 19 A 44 PHE C A 45 HIS N A 45 HIS CA A 45 HIS C 1.0 -140.8 -91.8 PHI 20 20 A 45 HIS N A 45 HIS CA A 45 HIS C A 46 CYS N 1.0 93.6 155.8 PSI 21 21 A 50 GLY C A 51 ALA N A 51 ALA CA A 51 ALA C 1.0 -140.6 -52.2 PHI 22 22 A 51 ALA N A 51 ALA CA A 51 ALA C A 52 SER N 1.0 59.5 183.3 PSI 23 23 A 51 ALA C A 52 SER N A 52 SER CA A 52 SER C 1.0 -183.6 -67.0 PHI 24 24 A 52 SER N A 52 SER CA A 52 SER C A 53 PHE N 1.0 129.4 177.8 PSI 25 25 A 55 GLN C A 56 LYS N A 56 LYS CA A 56 LYS C 1.0 -69.8 -45.2 PHI 26 26 A 56 LYS N A 56 LYS CA A 56 LYS C A 57 GLY N 1.0 -67.9 -13.9 PSI 27 27 A 56 LYS C A 57 GLY N A 57 GLY CA A 57 GLY C 1.0 -69.1 -48.1 PHI 28 28 A 57 GLY N A 57 GLY CA A 57 GLY C A 58 ASN N 1.0 -56.8 -20.4 PSI 29 29 A 57 GLY C A 58 ASN N A 58 ASN CA A 58 ASN C 1.0 -79.0 -52.4 PHI 30 30 A 58 ASN N A 58 ASN CA A 58 ASN C A 59 LEU N 1.0 -54.1 -21.9 PSI 31 31 A 58 ASN C A 59 LEU N A 59 LEU CA A 59 LEU C 1.0 -74.8 -50.8 PHI 32 32 A 59 LEU N A 59 LEU CA A 59 LEU C A 60 LEU N 1.0 -53.6 -33.6 PSI 33 33 A 59 LEU C A 60 LEU N A 60 LEU CA A 60 LEU C 1.0 -69.9 -48.5 PHI 34 34 A 60 LEU N A 60 LEU CA A 60 LEU C A 61 ARG N 1.0 -52.4 -29.2 PSI 35 35 A 60 LEU C A 61 ARG N A 61 ARG CA A 61 ARG C 1.0 -77.4 -55.4 PHI 36 36 A 61 ARG N A 61 ARG CA A 61 ARG C A 62 HIS N 1.0 -54.2 -25.2 PSI 37 37 A 61 ARG C A 62 HIS N A 62 HIS CA A 62 HIS C 1.0 -75.6 -55.6 PHI 38 38 A 62 HIS N A 62 HIS CA A 62 HIS C A 63 ILE N 1.0 -54.5 -34.5 PSI 39 39 A 62 HIS C A 63 ILE N A 63 ILE CA A 63 ILE C 1.0 -70.5 -50.5 PHI 40 40 A 63 ILE N A 63 ILE CA A 63 ILE C A 64 LYS N 1.0 -56.9 -29.1 PSI 41 41 A 63 ILE C A 64 LYS N A 64 LYS CA A 64 LYS C 1.0 -73.3 -47.7 PHI 42 42 A 64 LYS N A 64 LYS CA A 64 LYS C A 65 LEU N 1.0 -58.7 -29.9 PSI 43 43 A 64 LYS C A 65 LEU N A 65 LEU CA A 65 LEU C 1.0 -80.1 -53.1 PHI 44 44 A 65 LEU N A 65 LEU CA A 65 LEU C A 66 HIS N 1.0 -48.2 -11.0 PSI 45 45 A 65 LEU C A 66 HIS N A 66 HIS CA A 66 HIS C 1.0 -121.3 -48.5 PHI 46 46 A 66 HIS N A 66 HIS CA A 66 HIS C A 67 SER N 1.0 -48.9 29.3 PSI stop_ save_