data_nef_c34095_5n2o 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5N2O stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 PRO middle . false 3 A 3 LEU middle . . 4 A 4 GLY middle . false 5 A 5 SER middle . . 6 A 6 THR middle . . 7 A 7 ASP middle . . 8 A 8 CYS middle . . 9 A 9 SER middle . . 10 A 10 ILE middle . . 11 A 11 VAL middle . . 12 A 12 SER middle . . 13 A 13 PHE middle . . 14 A 14 PHE middle . . 15 A 15 ALA middle . . 16 A 16 ARG middle . . 17 A 17 LEU middle . . 18 A 18 GLY middle . false 19 A 19 CYS middle . . 20 A 20 SER middle . . 21 A 21 SER middle . . 22 A 22 CYS middle . . 23 A 23 LEU middle . . 24 A 24 ASP middle . . 25 A 25 TYR middle . . 26 A 26 PHE middle . . 27 A 27 THR middle . . 28 A 28 THR middle . . 29 A 29 GLN middle . . 30 A 30 GLY middle . false 31 A 31 LEU middle . . 32 A 32 THR middle . . 33 A 33 THR middle . . 34 A 34 ILE middle . . 35 A 35 TYR middle . . 36 A 36 GLN middle . . 37 A 37 ILE middle . . 38 A 38 GLU middle . . 39 A 39 HIS middle . . 40 A 40 TYR middle . . 41 A 41 SER middle . . 42 A 42 MET middle . . 43 A 43 ASP middle . . 44 A 44 ASP middle . . 45 A 45 LEU middle . . 46 A 46 ALA middle . . 47 A 47 SER middle . . 48 A 48 LEU middle . . 49 A 49 LYS middle . . 50 A 50 ILE middle . . 51 A 51 PRO middle . false 52 A 52 GLU middle . . 53 A 53 GLN middle . . 54 A 54 PHE middle . . 55 A 55 ARG middle . . 56 A 56 HIS middle . . 57 A 57 ALA middle . . 58 A 58 ILE middle . . 59 A 59 TRP middle . . 60 A 60 LYS middle . . 61 A 61 GLY middle . false 62 A 62 ILE middle . . 63 A 63 LEU middle . . 64 A 64 ASP middle . . 65 A 65 HIS middle . . 66 A 66 ARG middle . . 67 A 67 GLN middle . . 68 A 68 LEU middle . . 69 A 69 HIS middle . . 70 A 70 ASP end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 9 SER H H 1 8.575 0.020 A 9 SER HA H 1 4.420 0.020 A 9 SER HBy H 1 4.791 0.020 A 9 SER HBx H 1 4.114 0.020 A 9 SER CA C 13 58.592 0.400 A 9 SER CB C 13 64.247 0.400 A 9 SER N N 15 119.072 0.400 A 10 ILE H H 1 8.124 0.020 A 10 ILE HA H 1 3.386 0.020 A 10 ILE HB H 1 1.081 0.020 A 10 ILE HD1% H 1 0.775 0.020 A 10 ILE HG1x H 1 0.210 0.020 A 10 ILE HG1y H 1 0.210 0.020 A 10 ILE HG2% H 1 -0.170 0.020 A 10 ILE CA C 13 64.927 0.400 A 10 ILE CB C 13 37.220 0.400 A 10 ILE N N 15 124.259 0.400 A 11 VAL H H 1 7.934 0.020 A 11 VAL HA H 1 3.600 0.020 A 11 VAL HB H 1 1.935 0.020 A 11 VAL HGx% H 1 1.068 0.020 A 11 VAL HGy% H 1 0.924 0.020 A 11 VAL CA C 13 66.495 0.400 A 11 VAL CB C 13 31.862 0.400 A 11 VAL N N 15 119.861 0.400 A 12 SER H H 1 7.742 0.020 A 12 SER HA H 1 4.237 0.020 A 12 SER HBx H 1 3.848 0.020 A 12 SER HBy H 1 3.848 0.020 A 12 SER CA C 13 61.037 0.400 A 12 SER CB C 13 62.313 0.400 A 12 SER N N 15 116.725 0.400 A 13 PHE H H 1 7.674 0.020 A 13 PHE HA H 1 4.385 0.020 A 13 PHE HBy H 1 3.087 0.020 A 13 PHE HBx H 1 2.868 0.020 A 13 PHE HD1 H 1 6.927 0.020 A 13 PHE HD2 H 1 6.927 0.020 A 13 PHE HE1 H 1 6.997 0.020 A 13 PHE HE2 H 1 6.997 0.020 A 13 PHE CA C 13 59.420 0.400 A 13 PHE CB C 13 40.082 0.400 A 13 PHE N N 15 124.249 0.400 A 14 PHE H H 1 8.920 0.020 A 14 PHE HA H 1 4.077 0.020 A 14 PHE HBy H 1 3.135 0.020 A 14 PHE HBx H 1 2.521 0.020 A 14 PHE HD1 H 1 6.680 0.020 A 14 PHE HD2 H 1 6.680 0.020 A 14 PHE HE1 H 1 6.770 0.020 A 14 PHE HE2 H 1 6.770 0.020 A 14 PHE HZ H 1 5.817 0.020 A 14 PHE CA C 13 58.055 0.400 A 14 PHE CB C 13 35.756 0.400 A 14 PHE N N 15 116.071 0.400 A 15 ALA H H 1 7.875 0.020 A 15 ALA HA H 1 4.216 0.020 A 15 ALA HB% H 1 1.538 0.020 A 15 ALA CA C 13 55.274 0.400 A 15 ALA CB C 13 17.613 0.400 A 15 ALA N N 15 123.039 0.400 A 16 ARG H H 1 7.724 0.020 A 16 ARG HA H 1 4.145 0.020 A 16 ARG HBy H 1 2.012 0.020 A 16 ARG HBx H 1 1.942 0.020 A 16 ARG HDx H 1 3.255 0.020 A 16 ARG HDy H 1 3.255 0.020 A 16 ARG HGy H 1 1.785 0.020 A 16 ARG HGx H 1 1.688 0.020 A 16 ARG CA C 13 58.988 0.400 A 16 ARG CB C 13 29.887 0.400 A 16 ARG N N 15 118.678 0.400 A 17 LEU H H 1 7.423 0.020 A 17 LEU HA H 1 4.175 0.020 A 17 LEU HBx H 1 1.512 0.020 A 17 LEU HBy H 1 1.512 0.020 A 17 LEU HDx% H 1 0.606 0.020 A 17 LEU HDy% H 1 0.155 0.020 A 17 LEU HG H 1 1.370 0.020 A 17 LEU CA C 13 55.003 0.400 A 17 LEU CB C 13 43.647 0.400 A 17 LEU N N 15 116.332 0.400 A 18 GLY H H 1 7.723 0.020 A 18 GLY HAx H 1 4.046 0.020 A 18 GLY HAy H 1 4.194 0.020 A 18 GLY CA C 13 46.271 0.400 A 18 GLY N N 15 106.933 0.400 A 19 CYS H H 1 8.244 0.020 A 19 CYS HA H 1 4.639 0.020 A 19 CYS HBx H 1 2.171 0.020 A 19 CYS HBy H 1 2.171 0.020 A 19 CYS CA C 13 56.387 0.400 A 19 CYS CB C 13 28.399 0.400 A 19 CYS N N 15 114.893 0.400 A 21 SER H H 1 7.689 0.020 A 21 SER CA C 13 60.752 0.400 A 21 SER CB C 13 62.401 0.400 A 21 SER N N 15 115.848 0.400 A 22 CYS H H 1 7.860 0.020 A 22 CYS HA H 1 4.813 0.020 A 22 CYS HBy H 1 2.913 0.020 A 22 CYS HBx H 1 2.753 0.020 A 22 CYS CA C 13 59.582 0.400 A 22 CYS CB C 13 28.376 0.400 A 22 CYS N N 15 117.271 0.400 A 23 LEU H H 1 7.765 0.020 A 23 LEU HA H 1 4.112 0.020 A 23 LEU HBx H 1 1.832 0.020 A 23 LEU HBy H 1 1.832 0.020 A 23 LEU HDx% H 1 0.901 0.020 A 23 LEU HDy% H 1 0.901 0.020 A 23 LEU HG H 1 1.920 0.020 A 23 LEU CA C 13 59.527 0.400 A 23 LEU CB C 13 43.102 0.400 A 23 LEU N N 15 122.223 0.400 A 24 ASP H H 1 8.878 0.020 A 24 ASP HA H 1 4.605 0.020 A 24 ASP HBx H 1 2.481 0.020 A 24 ASP HBy H 1 2.481 0.020 A 24 ASP CA C 13 57.227 0.400 A 24 ASP CB C 13 39.963 0.400 A 24 ASP N N 15 117.190 0.400 A 25 TYR H H 1 7.497 0.020 A 25 TYR HA H 1 4.137 0.020 A 25 TYR HBy H 1 2.928 0.020 A 25 TYR HBx H 1 2.833 0.020 A 25 TYR HD1 H 1 7.300 0.020 A 25 TYR HD2 H 1 7.300 0.020 A 25 TYR HE1 H 1 6.896 0.020 A 25 TYR HE2 H 1 6.896 0.020 A 25 TYR CA C 13 61.020 0.400 A 25 TYR CB C 13 38.399 0.400 A 25 TYR N N 15 116.565 0.400 A 26 PHE H H 1 8.034 0.020 A 26 PHE HA H 1 4.332 0.020 A 26 PHE HBx H 1 3.236 0.020 A 26 PHE HBy H 1 3.236 0.020 A 26 PHE HD1 H 1 7.531 0.020 A 26 PHE HD2 H 1 7.531 0.020 A 26 PHE HE1 H 1 7.205 0.020 A 26 PHE HE2 H 1 7.205 0.020 A 26 PHE HZ H 1 7.270 0.020 A 26 PHE CA C 13 60.731 0.400 A 26 PHE CB C 13 38.753 0.400 A 26 PHE N N 15 114.431 0.400 A 27 THR H H 1 8.813 0.020 A 27 THR HA H 1 3.940 0.020 A 27 THR HB H 1 4.270 0.020 A 27 THR HG2% H 1 1.276 0.020 A 27 THR CA C 13 66.239 0.400 A 27 THR CB C 13 68.019 0.400 A 27 THR N N 15 115.258 0.400 A 28 THR H H 1 8.087 0.020 A 28 THR HA H 1 4.153 0.020 A 28 THR HB H 1 4.267 0.020 A 28 THR HG2% H 1 1.324 0.020 A 28 THR CA C 13 65.068 0.400 A 28 THR CB C 13 69.253 0.400 A 28 THR N N 15 115.127 0.400 A 29 GLN H H 1 7.158 0.020 A 29 GLN HA H 1 4.535 0.020 A 29 GLN HBy H 1 2.356 0.020 A 29 GLN HBx H 1 1.942 0.020 A 29 GLN HGx H 1 2.490 0.020 A 29 GLN HGy H 1 2.490 0.020 A 29 GLN CA C 13 54.444 0.400 A 29 GLN CB C 13 28.827 0.400 A 29 GLN N N 15 117.582 0.400 A 30 GLY H H 1 7.899 0.020 A 30 GLY HAx H 1 3.788 0.020 A 30 GLY HAy H 1 4.146 0.020 A 30 GLY CA C 13 45.831 0.400 A 30 GLY N N 15 107.106 0.400 A 31 LEU H H 1 7.571 0.020 A 31 LEU HA H 1 4.527 0.020 A 31 LEU HBx H 1 2.059 0.020 A 31 LEU HBy H 1 2.059 0.020 A 31 LEU HDx% H 1 1.593 0.020 A 31 LEU HDy% H 1 0.857 0.020 A 31 LEU HG H 1 1.051 0.020 A 31 LEU CA C 13 53.859 0.400 A 31 LEU CB C 13 41.661 0.400 A 31 LEU N N 15 122.128 0.400 A 32 THR H H 1 9.217 0.020 A 32 THR HA H 1 4.519 0.020 A 32 THR HB H 1 4.312 0.020 A 32 THR HG2% H 1 1.087 0.020 A 32 THR CA C 13 61.754 0.400 A 32 THR CB C 13 71.245 0.400 A 32 THR N N 15 109.962 0.400 A 33 THR H H 1 8.410 0.020 A 33 THR HA H 1 5.081 0.020 A 33 THR HB H 1 4.244 0.020 A 33 THR HG2% H 1 1.186 0.020 A 33 THR CA C 13 59.845 0.400 A 33 THR CB C 13 72.728 0.400 A 33 THR N N 15 116.291 0.400 A 34 ILE H H 1 8.380 0.020 A 34 ILE HA H 1 3.182 0.020 A 34 ILE HB H 1 0.817 0.020 A 34 ILE HD1% H 1 -0.260 0.020 A 34 ILE HG1y H 1 2.849 0.020 A 34 ILE HG1x H 1 0.492 0.020 A 34 ILE HG2% H 1 -0.115 0.020 A 34 ILE CA C 13 62.860 0.400 A 34 ILE CB C 13 38.043 0.400 A 34 ILE N N 15 119.031 0.400 A 35 TYR H H 1 6.999 0.020 A 35 TYR HA H 1 4.224 0.020 A 35 TYR HBy H 1 3.161 0.020 A 35 TYR HBx H 1 2.804 0.020 A 35 TYR HD1 H 1 7.149 0.020 A 35 TYR HD2 H 1 7.149 0.020 A 35 TYR HE1 H 1 6.874 0.020 A 35 TYR HE2 H 1 6.874 0.020 A 35 TYR CA C 13 59.739 0.400 A 35 TYR CB C 13 37.443 0.400 A 35 TYR N N 15 117.284 0.400 A 36 GLN H H 1 7.320 0.020 A 36 GLN HA H 1 4.171 0.020 A 36 GLN HBx H 1 2.363 0.020 A 36 GLN HBy H 1 2.363 0.020 A 36 GLN HGy H 1 2.477 0.020 A 36 GLN HGx H 1 2.189 0.020 A 36 GLN CA C 13 57.915 0.400 A 36 GLN CB C 13 31.508 0.400 A 36 GLN N N 15 114.487 0.400 A 37 ILE H H 1 7.111 0.020 A 37 ILE HA H 1 4.149 0.020 A 37 ILE HB H 1 1.564 0.020 A 37 ILE HD1% H 1 0.421 0.020 A 37 ILE HG1y H 1 0.970 0.020 A 37 ILE HG1x H 1 0.852 0.020 A 37 ILE HG2% H 1 0.545 0.020 A 37 ILE CA C 13 60.188 0.400 A 37 ILE CB C 13 39.234 0.400 A 37 ILE N N 15 107.441 0.400 A 38 GLU H H 1 7.176 0.020 A 38 GLU HA H 1 3.891 0.020 A 38 GLU HBy H 1 2.098 0.020 A 38 GLU HBx H 1 1.919 0.020 A 38 GLU HGx H 1 2.349 0.020 A 38 GLU HGy H 1 2.349 0.020 A 38 GLU CA C 13 58.794 0.400 A 38 GLU CB C 13 29.402 0.400 A 38 GLU N N 15 120.002 0.400 A 39 HIS H H 1 8.406 0.020 A 39 HIS HA H 1 4.814 0.020 A 39 HIS HBx H 1 3.189 0.020 A 39 HIS HBy H 1 3.189 0.020 A 39 HIS HD2 H 1 7.114 0.020 A 39 HIS HE1 H 1 7.429 0.020 A 39 HIS CA C 13 55.825 0.400 A 39 HIS CB C 13 30.234 0.400 A 39 HIS N N 15 115.724 0.400 A 40 TYR H H 1 7.879 0.020 A 40 TYR HA H 1 4.662 0.020 A 40 TYR HBy H 1 3.603 0.020 A 40 TYR HBx H 1 2.999 0.020 A 40 TYR HD1 H 1 6.646 0.020 A 40 TYR HD2 H 1 6.646 0.020 A 40 TYR HE1 H 1 6.787 0.020 A 40 TYR HE2 H 1 6.787 0.020 A 40 TYR CA C 13 57.750 0.400 A 40 TYR CB C 13 37.860 0.400 A 40 TYR N N 15 124.363 0.400 A 41 SER H H 1 9.536 0.020 A 41 SER HA H 1 4.988 0.020 A 41 SER HBy H 1 4.328 0.020 A 41 SER HBx H 1 4.064 0.020 A 41 SER CA C 13 56.003 0.400 A 41 SER CB C 13 67.100 0.400 A 41 SER N N 15 117.050 0.400 A 42 MET H H 1 8.328 0.020 A 42 MET HA H 1 3.921 0.020 A 42 MET HBx H 1 1.404 0.020 A 42 MET HBy H 1 1.404 0.020 A 42 MET HGx H 1 1.678 0.020 A 42 MET HGy H 1 1.678 0.020 A 42 MET CA C 13 58.350 0.400 A 42 MET CB C 13 30.910 0.400 A 42 MET N N 15 119.123 0.400 A 43 ASP H H 1 7.979 0.020 A 43 ASP HA H 1 4.321 0.020 A 43 ASP HBy H 1 2.561 0.020 A 43 ASP HBx H 1 2.409 0.020 A 43 ASP CA C 13 57.221 0.400 A 43 ASP CB C 13 40.237 0.400 A 43 ASP N N 15 119.073 0.400 A 44 ASP H H 1 7.583 0.020 A 44 ASP HA H 1 4.188 0.020 A 44 ASP HBy H 1 2.594 0.020 A 44 ASP HBx H 1 1.701 0.020 A 44 ASP CA C 13 57.489 0.400 A 44 ASP CB C 13 40.480 0.400 A 44 ASP N N 15 121.170 0.400 A 45 LEU H H 1 7.638 0.020 A 45 LEU HA H 1 4.071 0.020 A 45 LEU HBx H 1 2.192 0.020 A 45 LEU HBy H 1 2.192 0.020 A 45 LEU HDx% H 1 1.237 0.020 A 45 LEU HDy% H 1 1.237 0.020 A 45 LEU CA C 13 57.564 0.400 A 45 LEU CB C 13 41.270 0.400 A 45 LEU N N 15 118.318 0.400 A 46 ALA H H 1 8.123 0.020 A 46 ALA HA H 1 3.941 0.020 A 46 ALA HB% H 1 1.480 0.020 A 46 ALA CA C 13 55.403 0.400 A 46 ALA CB C 13 17.831 0.400 A 46 ALA N N 15 121.611 0.400 A 47 SER H H 1 8.084 0.020 A 47 SER HA H 1 4.216 0.020 A 47 SER HBx H 1 3.974 0.020 A 47 SER HBy H 1 3.974 0.020 A 47 SER CA C 13 61.325 0.400 A 47 SER CB C 13 62.814 0.400 A 47 SER N N 15 116.468 0.400 A 48 LEU H H 1 7.120 0.020 A 48 LEU HA H 1 4.225 0.020 A 48 LEU HBx H 1 1.720 0.020 A 48 LEU HBy H 1 1.720 0.020 A 48 LEU HDx% H 1 0.672 0.020 A 48 LEU HDy% H 1 0.567 0.020 A 48 LEU HG H 1 1.383 0.020 A 48 LEU CA C 13 54.966 0.400 A 48 LEU CB C 13 43.119 0.400 A 48 LEU N N 15 120.360 0.400 A 49 LYS H H 1 7.807 0.020 A 49 LYS HA H 1 3.668 0.020 A 49 LYS HBx H 1 2.240 0.020 A 49 LYS HBy H 1 2.240 0.020 A 49 LYS HDx H 1 1.889 0.020 A 49 LYS HDy H 1 1.889 0.020 A 49 LYS HGx H 1 1.317 0.020 A 49 LYS HGy H 1 1.317 0.020 A 49 LYS N N 15 111.529 0.400 A 50 ILE H H 1 6.885 0.020 A 50 ILE HA H 1 3.452 0.020 A 50 ILE HB H 1 1.493 0.020 A 50 ILE HD1% H 1 0.732 0.020 A 50 ILE HG1x H 1 1.218 0.020 A 50 ILE HG1y H 1 1.218 0.020 A 50 ILE HG2% H 1 0.957 0.020 A 50 ILE N N 15 117.300 0.400 A 51 PRO HA H 1 4.777 0.020 A 51 PRO HDx H 1 3.561 0.020 A 51 PRO HDy H 1 3.561 0.020 A 51 PRO CA C 13 63.859 0.400 A 51 PRO CB C 13 32.689 0.400 A 52 GLU H H 1 9.051 0.020 A 52 GLU HA H 1 4.336 0.020 A 52 GLU HBx H 1 2.020 0.020 A 52 GLU HBy H 1 2.020 0.020 A 52 GLU HGy H 1 2.539 0.020 A 52 GLU HGx H 1 2.265 0.020 A 52 GLU N N 15 124.926 0.400 A 53 GLN H H 1 9.228 0.020 A 53 GLN HA H 1 4.109 0.020 A 53 GLN HBy H 1 1.836 0.020 A 53 GLN HBx H 1 1.621 0.020 A 53 GLN HGx H 1 1.985 0.020 A 53 GLN HGy H 1 1.985 0.020 A 53 GLN CA C 13 58.326 0.400 A 53 GLN CB C 13 27.418 0.400 A 53 GLN N N 15 116.404 0.400 A 54 PHE H H 1 7.536 0.020 A 54 PHE HA H 1 4.837 0.020 A 54 PHE HBy H 1 3.394 0.020 A 54 PHE HBx H 1 2.542 0.020 A 54 PHE HD1 H 1 7.083 0.020 A 54 PHE HD2 H 1 7.083 0.020 A 54 PHE HE1 H 1 7.370 0.020 A 54 PHE HE2 H 1 7.370 0.020 A 54 PHE HZ H 1 7.304 0.020 A 54 PHE CA C 13 58.014 0.400 A 54 PHE CB C 13 41.301 0.400 A 54 PHE N N 15 116.653 0.400 A 55 ARG H H 1 7.686 0.020 A 55 ARG HA H 1 3.760 0.020 A 55 ARG HBx H 1 1.863 0.020 A 55 ARG HBy H 1 1.863 0.020 A 55 ARG HDx H 1 3.127 0.020 A 55 ARG HDy H 1 3.127 0.020 A 55 ARG HGx H 1 1.316 0.020 A 55 ARG HGy H 1 1.316 0.020 A 55 ARG CA C 13 61.667 0.400 A 55 ARG CB C 13 30.680 0.400 A 55 ARG N N 15 118.613 0.400 A 56 HIS H H 1 8.492 0.020 A 56 HIS HA H 1 4.415 0.020 A 56 HIS HBx H 1 3.149 0.020 A 56 HIS HBy H 1 3.149 0.020 A 56 HIS HD2 H 1 7.104 0.020 A 56 HIS CA C 13 60.882 0.400 A 56 HIS CB C 13 30.286 0.400 A 56 HIS N N 15 116.902 0.400 A 57 ALA H H 1 7.982 0.020 A 57 ALA HA H 1 4.106 0.020 A 57 ALA HB% H 1 1.493 0.020 A 57 ALA CA C 13 55.073 0.400 A 57 ALA CB C 13 18.228 0.400 A 57 ALA N N 15 121.204 0.400 A 58 ILE H H 1 7.969 0.020 A 58 ILE HA H 1 3.494 0.020 A 58 ILE HB H 1 1.834 0.020 A 58 ILE HD1% H 1 1.235 0.020 A 58 ILE HG1y H 1 0.720 0.020 A 58 ILE HG1x H 1 0.391 0.020 A 58 ILE HG2% H 1 0.990 0.020 A 58 ILE CA C 13 65.714 0.400 A 58 ILE CB C 13 38.659 0.400 A 58 ILE N N 15 118.169 0.400 A 59 TRP H H 1 8.494 0.020 A 59 TRP HA H 1 4.349 0.020 A 59 TRP HBy H 1 3.423 0.020 A 59 TRP HBx H 1 3.255 0.020 A 59 TRP HD1 H 1 7.154 0.020 A 59 TRP HE1 H 1 10.238 0.020 A 59 TRP HE3 H 1 7.438 0.020 A 59 TRP HH2 H 1 7.514 0.020 A 59 TRP HZ2 H 1 7.519 0.020 A 59 TRP HZ3 H 1 7.261 0.020 A 59 TRP CA C 13 61.314 0.400 A 59 TRP CB C 13 29.720 0.400 A 59 TRP N N 15 120.818 0.400 A 59 TRP NE1 N 15 129.340 0.400 A 60 LYS H H 1 8.637 0.020 A 60 LYS HA H 1 3.541 0.020 A 60 LYS HBy H 1 1.812 0.020 A 60 LYS HBx H 1 1.728 0.020 A 60 LYS HGx H 1 1.397 0.020 A 60 LYS HGy H 1 1.397 0.020 A 60 LYS CA C 13 58.771 0.400 A 60 LYS CB C 13 31.777 0.400 A 60 LYS N N 15 117.082 0.400 A 61 GLY H H 1 7.890 0.020 A 61 GLY HAx H 1 3.733 0.020 A 61 GLY HAy H 1 4.022 0.020 A 61 GLY CA C 13 47.552 0.400 A 61 GLY N N 15 106.174 0.400 A 62 ILE H H 1 8.678 0.020 A 62 ILE HA H 1 3.571 0.020 A 62 ILE HB H 1 2.094 0.020 A 62 ILE HG1x H 1 0.771 0.020 A 62 ILE HG1y H 1 0.771 0.020 A 62 ILE HG2% H 1 0.987 0.020 A 62 ILE CA C 13 66.395 0.400 A 62 ILE CB C 13 37.992 0.400 A 62 ILE N N 15 125.431 0.400 A 63 LEU H H 1 8.161 0.020 A 63 LEU HA H 1 3.719 0.020 A 63 LEU HBx H 1 1.288 0.020 A 63 LEU HBy H 1 1.288 0.020 A 63 LEU HDx% H 1 0.522 0.020 A 63 LEU HDy% H 1 0.302 0.020 A 63 LEU HG H 1 0.998 0.020 A 63 LEU CA C 13 58.299 0.400 A 63 LEU CB C 13 41.222 0.400 A 63 LEU N N 15 121.737 0.400 A 64 ASP H H 1 8.417 0.020 A 64 ASP HA H 1 4.335 0.020 A 64 ASP HBy H 1 2.780 0.020 A 64 ASP HBx H 1 2.630 0.020 A 64 ASP CA C 13 56.910 0.400 A 64 ASP CB C 13 40.369 0.400 A 64 ASP N N 15 118.909 0.400 A 65 HIS H H 1 7.899 0.020 A 65 HIS HA H 1 4.250 0.020 A 65 HIS HBy H 1 3.310 0.020 A 65 HIS HBx H 1 3.084 0.020 A 65 HIS HD2 H 1 6.753 0.020 A 65 HIS CA C 13 59.801 0.400 A 65 HIS CB C 13 30.343 0.400 A 65 HIS N N 15 120.742 0.400 A 66 ARG H H 1 8.217 0.020 A 66 ARG HA H 1 3.950 0.020 A 66 ARG HBx H 1 1.905 0.020 A 66 ARG HBy H 1 1.905 0.020 A 66 ARG HDx H 1 3.184 0.020 A 66 ARG HDy H 1 3.184 0.020 A 66 ARG HGx H 1 1.721 0.020 A 66 ARG HGy H 1 1.721 0.020 A 66 ARG CA C 13 58.235 0.400 A 66 ARG CB C 13 30.628 0.400 A 66 ARG N N 15 118.211 0.400 A 67 GLN H H 1 7.737 0.020 A 67 GLN HA H 1 4.161 0.020 A 67 GLN HBx H 1 2.070 0.020 A 67 GLN HBy H 1 2.070 0.020 A 67 GLN HGx H 1 2.426 0.020 A 67 GLN HGy H 1 2.426 0.020 A 67 GLN CA C 13 56.578 0.400 A 67 GLN CB C 13 28.876 0.400 A 67 GLN N N 15 116.742 0.400 A 68 LEU H H 1 7.668 0.020 A 68 LEU HA H 1 4.204 0.020 A 68 LEU HBx H 1 1.583 0.020 A 68 LEU HBy H 1 1.583 0.020 A 68 LEU HDx% H 1 0.804 0.020 A 68 LEU HDy% H 1 0.804 0.020 A 68 LEU HG H 1 1.409 0.020 A 68 LEU CA C 13 55.452 0.400 A 68 LEU CB C 13 42.201 0.400 A 68 LEU N N 15 120.378 0.400 A 69 HIS H H 1 7.878 0.020 A 69 HIS HA H 1 4.691 0.020 A 69 HIS HBy H 1 3.205 0.020 A 69 HIS HBx H 1 3.065 0.020 A 69 HIS CA C 13 55.374 0.400 A 69 HIS CB C 13 30.322 0.400 A 69 HIS N N 15 118.059 0.400 A 70 ASP H H 1 8.094 0.020 A 70 ASP HA H 1 4.419 0.020 A 70 ASP HBy H 1 2.679 0.020 A 70 ASP HBx H 1 2.587 0.020 A 70 ASP CA C 13 56.008 0.400 A 70 ASP CB C 13 42.040 0.400 A 70 ASP N N 15 126.843 0.400 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 26 PHE HD% A 32 THR HB 1.0 . 3.96 2 2 A 26 PHE HD% A 32 THR HG2% 1.0 . 3.55 3 3 A 59 TRP HH2 A 63 LEU HDx% 1.0 . 5.50 4 4 A 59 TRP HH2 A 63 LEU HDy% 1.0 . 5.50 5 5 A 26 PHE HE% A 50 ILE HG1x 1.0 . 4.01 6 5 A 26 PHE HE% A 50 ILE HG1y 1.0 . 4.01 7 6 A 26 PHE HE% A 58 ILE HG2% 1.0 . 4.62 8 7 A 26 PHE HE% A 37 ILE HG2% 1.0 . 3.63 9 8 A 26 PHE HE% A 37 ILE HD1% 1.0 . 4.98 10 9 A 58 ILE HG2% A 59 TRP HD1 1.0 . 4.44 11 10 A 59 TRP HD1 A 62 ILE HG2% 1.0 . 3.74 12 11 A 59 TRP HD1 A 45 LEU HDx% 1.0 . 4.05 13 11 A 59 TRP HD1 A 45 LEU HDy% 1.0 . 4.05 14 12 A 59 TRP HD1 A 59 TRP HA 1.0 . 4.68 15 13 A 59 TRP HD1 A 41 SER HA 1.0 . 4.44 16 14 A 13 PHE HE% A 17 LEU HDx% 1.0 . 4.00 17 15 A 13 PHE HE% A 17 LEU HDy% 1.0 . 4.00 18 16 A 13 PHE HE% A 62 ILE HG1x 1.0 . 4.36 19 16 A 13 PHE HE% A 62 ILE HG1y 1.0 . 4.36 20 17 A 62 ILE HG2% A 13 PHE HE% 1.0 . 4.19 21 18 A 13 PHE HE% A 62 ILE HB 1.0 . 3.63 22 19 A 13 PHE HE% A 62 ILE HA 1.0 . 3.85 23 20 A 13 PHE HE% A 14 PHE HD% 1.0 . 4.88 24 21 A 65 HIS HD2 A 66 ARG HA 1.0 . 4.47 25 22 A 65 HIS HD2 A 66 ARG HBx 1.0 . 4.58 26 22 A 65 HIS HD2 A 66 ARG HBy 1.0 . 4.58 27 23 A 37 ILE HG2% A 14 PHE HE% 1.0 . 4.81 28 24 A 40 TYR HE% A 48 LEU HDx% 1.0 . 5.14 29 25 A 58 ILE HG2% A 14 PHE HE% 1.0 . 4.28 30 26 A 40 TYR HA A 40 TYR HD% 1.0 . 3.36 31 27 A 40 TYR HD% A 37 ILE HA 1.0 . 5.34 32 28 A 14 PHE HD% A 14 PHE HA 1.0 . 3.29 33 29 A 13 PHE HD% A 34 ILE HG2% 1.0 . 4.44 34 30 A 56 HIS HA A 59 TRP HE3 1.0 . 4.62 35 31 A 14 PHE HE% A 13 PHE HD% 1.0 . 3.75 36 32 A 14 PHE HD% A 13 PHE HD% 1.0 . 3.85 37 33 A 32 THR HG2% A 32 THR H 1.0 . 3.16 38 34 A 9 SER H A 9 SER HBx 1.0 . 4.00 39 35 A 9 SER H A 9 SER HBy 1.0 . 4.00 40 36 A 13 PHE H A 13 PHE HBx 1.0 . 3.01 41 37 A 13 PHE H A 13 PHE HBy 1.0 . 3.01 42 38 A 14 PHE H A 14 PHE HBy 1.0 . 3.60 43 39 A 16 ARG H A 16 ARG HGy 1.0 . 3.64 44 40 A 16 ARG H A 16 ARG HGx 1.0 . 3.64 45 41 A 17 LEU H A 17 LEU HG 1.0 . 3.21 46 42 A 17 LEU H A 17 LEU HBx 1.0 . 2.68 47 42 A 17 LEU H A 17 LEU HBy 1.0 . 2.68 48 43 A 22 CYS H A 22 CYS HBy 1.0 . 3.73 49 44 A 22 CYS H A 22 CYS HBx 1.0 . 3.73 50 45 A 23 LEU H A 23 LEU HG 1.0 . 3.07 51 46 A 25 TYR H A 25 TYR HBy 1.0 . 3.78 52 47 A 25 TYR H A 25 TYR HBx 1.0 . 3.78 53 48 A 27 THR H A 27 THR HB 1.0 . 3.77 54 49 A 28 THR H A 28 THR HG2% 1.0 . 3.89 55 50 A 32 THR H A 31 LEU HA 1.0 . 3.06 56 51 A 32 THR HB A 32 THR H 1.0 . 4.04 57 52 A 33 THR H A 33 THR HB 1.0 . 4.09 58 53 A 40 TYR H A 40 TYR HBx 1.0 . 3.63 59 54 A 45 LEU H A 45 LEU HBx 1.0 . 2.82 60 54 A 45 LEU H A 45 LEU HBy 1.0 . 2.82 61 55 A 45 LEU H A 45 LEU HDx% 1.0 . 3.28 62 55 A 45 LEU HDy% A 45 LEU H 1.0 . 3.28 63 56 A 47 SER H A 47 SER HBx 1.0 . 3.15 64 56 A 47 SER H A 47 SER HBy 1.0 . 3.15 65 57 A 47 SER H A 44 ASP HA 1.0 . 4.04 66 58 A 54 PHE H A 54 PHE HBy 1.0 . 3.60 67 59 A 54 PHE H A 54 PHE HBx 1.0 . 3.60 68 60 A 56 HIS H A 56 HIS HBx 1.0 . 3.49 69 60 A 56 HIS H A 56 HIS HBy 1.0 . 3.49 70 61 A 59 TRP H A 59 TRP HBy 1.0 . 3.00 71 62 A 60 LYS H A 60 LYS HBy 1.0 . 3.07 72 63 A 60 LYS H A 60 LYS HGx 1.0 . 4.52 73 63 A 60 LYS H A 60 LYS HGy 1.0 . 4.52 74 64 A 65 HIS H A 65 HIS HBx 1.0 . 3.01 75 65 A 68 LEU H A 68 LEU HA 1.0 . 2.91 76 66 A 68 LEU H A 68 LEU HG 1.0 . 3.58 77 67 A 69 HIS H A 69 HIS HBx 1.0 . 3.36 78 68 A 11 VAL H A 11 VAL HGx% 1.0 . 3.14 79 69 A 67 GLN H A 67 GLN HGx 1.0 . 3.86 80 69 A 67 GLN H A 67 GLN HGy 1.0 . 3.86 81 70 A 67 GLN H A 67 GLN HBx 1.0 . 2.88 82 70 A 67 GLN H A 67 GLN HBy 1.0 . 2.88 83 71 A 19 CYS H A 19 CYS HBx 1.0 . 3.26 84 71 A 19 CYS H A 19 CYS HBy 1.0 . 3.26 85 72 A 26 PHE H A 26 PHE HBx 1.0 . 2.78 86 72 A 26 PHE H A 26 PHE HBy 1.0 . 2.78 87 73 A 39 HIS H A 39 HIS HBx 1.0 . 3.69 88 73 A 39 HIS H A 39 HIS HBy 1.0 . 3.69 89 74 A 48 LEU H A 48 LEU HDy% 1.0 . 4.05 90 75 A 69 HIS HA A 70 ASP H 1.0 . 3.21 91 76 A 70 ASP H A 69 HIS HBy 1.0 . 4.57 92 77 A 70 ASP H A 69 HIS HBx 1.0 . 4.57 93 78 A 68 LEU HG A 69 HIS H 1.0 . 5.33 94 79 A 68 LEU H A 69 HIS H 1.0 . 3.49 95 80 A 68 LEU H A 66 ARG HBx 1.0 . 5.34 96 80 A 66 ARG HBy A 68 LEU H 1.0 . 5.34 97 81 A 67 GLN H A 66 ARG H 1.0 . 3.31 98 82 A 66 ARG H A 64 ASP H 1.0 . 4.27 99 83 A 66 ARG H A 63 LEU HA 1.0 . 3.75 100 84 A 62 ILE HA A 66 ARG H 1.0 . 4.60 101 85 A 66 ARG H A 68 LEU HBx 1.0 . 5.50 102 85 A 66 ARG H A 68 LEU HBy 1.0 . 5.50 103 86 A 66 ARG H A 63 LEU HBx 1.0 . 5.29 104 86 A 66 ARG H A 63 LEU HBy 1.0 . 5.29 105 87 A 65 HIS H A 66 ARG H 1.0 . 3.14 106 88 A 62 ILE HA A 65 HIS H 1.0 . 3.74 107 89 A 65 HIS H A 64 ASP HBx 1.0 . 4.11 108 90 A 65 HIS H A 67 GLN HBx 1.0 . 5.45 109 90 A 65 HIS H A 67 GLN HBy 1.0 . 5.45 110 91 A 65 HIS H A 66 ARG HBx 1.0 . 5.14 111 91 A 66 ARG HBy A 65 HIS H 1.0 . 5.14 112 92 A 65 HIS H A 66 ARG HGx 1.0 . 4.63 113 92 A 65 HIS H A 66 ARG HGy 1.0 . 4.63 114 93 A 65 HIS H A 62 ILE HG1x 1.0 . 5.49 115 93 A 62 ILE HG1y A 65 HIS H 1.0 . 5.49 116 94 A 64 ASP H A 63 LEU H 1.0 . 3.16 117 95 A 64 ASP H A 60 LYS HA 1.0 . 4.08 118 96 A 63 LEU H A 63 LEU HDx% 1.0 . 4.25 119 97 A 63 LEU H A 62 ILE H 1.0 . 3.27 120 98 A 64 ASP H A 62 ILE H 1.0 . 4.29 121 99 A 63 LEU H A 61 GLY H 1.0 . 4.24 122 100 A 59 TRP HA A 61 GLY H 1.0 . 4.55 123 101 A 61 GLY H A 58 ILE HA 1.0 . 3.94 124 102 A 56 HIS HA A 60 LYS H 1.0 . 5.50 125 103 A 60 LYS H A 59 TRP HBx 1.0 . 4.74 126 104 A 60 LYS H A 59 TRP HBy 1.0 . 4.74 127 105 A 59 TRP H A 58 ILE H 1.0 . 3.22 128 106 A 59 TRP H A 57 ALA HA 1.0 . 4.86 129 107 A 59 TRP H A 55 ARG HA 1.0 . 4.32 130 108 A 58 ILE H A 55 ARG HA 1.0 . 4.08 131 109 A 56 HIS H A 55 ARG HBx 1.0 . 4.14 132 109 A 56 HIS H A 55 ARG HBy 1.0 . 4.14 133 110 A 53 GLN HA A 55 ARG H 1.0 . 5.25 134 111 A 55 ARG H A 54 PHE HBx 1.0 . 4.38 135 112 A 55 ARG H A 54 PHE HBy 1.0 . 4.38 136 113 A 55 ARG H A 50 ILE HB 1.0 . 5.50 137 114 A 55 ARG H A 57 ALA HB% 1.0 . 5.24 138 115 A 54 PHE H A 55 ARG H 1.0 . 2.84 139 116 A 48 LEU H A 49 LYS H 1.0 . 3.18 140 117 A 47 SER H A 49 LYS H 1.0 . 5.07 141 118 A 45 LEU H A 47 SER H 1.0 . 5.50 142 119 A 44 ASP HA A 46 ALA H 1.0 . 4.81 143 120 A 46 ALA H A 44 ASP HBx 1.0 . 5.50 144 121 A 46 ALA H A 48 LEU HBx 1.0 . 5.50 145 121 A 46 ALA H A 48 LEU HBy 1.0 . 5.50 146 122 A 45 LEU H A 42 MET HA 1.0 . 4.06 147 123 A 45 LEU H A 44 ASP HBy 1.0 . 4.14 148 124 A 42 MET H A 44 ASP H 1.0 . 4.89 149 125 A 46 ALA H A 44 ASP H 1.0 . 4.53 150 126 A 44 ASP H A 41 SER H 1.0 . 3.99 151 127 A 41 SER HA A 44 ASP H 1.0 . 5.15 152 128 A 44 ASP H A 45 LEU HBx 1.0 . 4.90 153 128 A 45 LEU HBy A 44 ASP H 1.0 . 4.90 154 129 A 43 ASP H A 42 MET HGx 1.0 . 5.50 155 129 A 42 MET HGy A 43 ASP H 1.0 . 5.50 156 130 A 41 SER HA A 42 MET H 1.0 . 3.26 157 131 A 40 TYR HA A 41 SER H 1.0 . 2.94 158 132 A 41 SER H A 40 TYR HBy 1.0 . 4.65 159 133 A 41 SER H A 40 TYR HBx 1.0 . 4.65 160 134 A 40 TYR H A 39 HIS H 1.0 . 3.55 161 135 A 40 TYR H A 41 SER H 1.0 . 4.68 162 136 A 40 TYR H A 38 GLU HA 1.0 . 4.78 163 137 A 34 ILE HA A 38 GLU H 1.0 . 5.50 164 138 A 34 ILE HA A 37 ILE H 1.0 . 4.29 165 139 A 10 ILE H A 34 ILE H 1.0 . 4.00 166 140 A 34 ILE H A 9 SER HA 1.0 . 3.90 167 141 A 34 ILE H A 10 ILE HA 1.0 . 5.50 168 142 A 33 THR H A 32 THR HA 1.0 . 3.24 169 143 A 32 THR H A 33 THR HA 1.0 . 5.44 170 144 A 30 GLY H A 31 LEU H 1.0 . 3.16 171 145 A 28 THR HB A 29 GLN H 1.0 . 3.57 172 146 A 28 THR HG2% A 29 GLN H 1.0 . 4.08 173 147 A 25 TYR H A 27 THR H 1.0 . 4.87 174 148 A 27 THR H A 23 LEU HA 1.0 . 4.20 175 149 A 26 PHE HD% A 26 PHE H 1.0 . 3.34 176 150 A 26 PHE H A 23 LEU HA 1.0 . 4.00 177 151 A 26 PHE H A 25 TYR HBy 1.0 . 3.88 178 152 A 26 PHE H A 27 THR HG2% 1.0 . 4.58 179 153 A 23 LEU HG A 24 ASP H 1.0 . 3.65 180 154 A 23 LEU H A 19 CYS HA 1.0 . 5.50 181 155 A 23 LEU H A 22 CYS HBy 1.0 . 5.50 182 156 A 19 CYS H A 18 GLY H 1.0 . 2.95 183 157 A 14 PHE HA A 19 CYS H 1.0 . 4.00 184 158 A 19 CYS HA A 18 GLY H 1.0 . 4.70 185 159 A 18 GLY H A 19 CYS HBx 1.0 . 5.43 186 159 A 19 CYS HBy A 18 GLY H 1.0 . 5.43 187 160 A 17 LEU HG A 18 GLY H 1.0 . 5.15 188 161 A 16 ARG H A 17 LEU H 1.0 . 3.00 189 162 A 14 PHE HA A 17 LEU H 1.0 . 3.61 190 163 A 17 LEU H A 16 ARG HBx 1.0 . 3.64 191 164 A 17 LEU H A 16 ARG HBy 1.0 . 3.64 192 165 A 17 LEU H A 16 ARG HGx 1.0 . 4.87 193 166 A 17 LEU H A 19 CYS HBx 1.0 . 5.50 194 166 A 17 LEU H A 19 CYS HBy 1.0 . 5.50 195 167 A 16 ARG H A 13 PHE HA 1.0 . 4.49 196 168 A 17 LEU H A 15 ALA H 1.0 . 4.45 197 169 A 15 ALA H A 14 PHE HBy 1.0 . 3.86 198 170 A 13 PHE H A 14 PHE H 1.0 . 3.32 199 171 A 14 PHE H A 11 VAL HA 1.0 . 4.22 200 172 A 14 PHE H A 15 ALA HB% 1.0 . 4.48 201 173 A 13 PHE H A 10 ILE H 1.0 . 5.12 202 174 A 13 PHE H A 11 VAL HA 1.0 . 4.72 203 175 A 13 PHE H A 11 VAL HGy% 1.0 . 5.50 204 176 A 11 VAL H A 12 SER H 1.0 . 3.07 205 177 A 10 ILE HA A 12 SER H 1.0 . 5.47 206 178 A 12 SER H A 13 PHE HBy 1.0 . 5.50 207 179 A 12 SER H A 13 PHE HBx 1.0 . 5.50 208 180 A 67 GLN H A 66 ARG HBx 1.0 . 4.08 209 180 A 66 ARG HBy A 67 GLN H 1.0 . 4.08 210 181 A 12 SER H A 11 VAL HGy% 1.0 . 4.09 211 182 A 11 VAL H A 10 ILE H 1.0 . 3.28 212 183 A 9 SER H A 10 ILE H 1.0 . 4.63 213 184 A 10 ILE H A 9 SER HA 1.0 . 2.92 214 185 A 48 LEU H A 50 ILE H 1.0 . 3.85 215 186 A 50 ILE H A 49 LYS HA 1.0 . 3.44 216 187 A 50 ILE H A 50 ILE HG1x 1.0 . 2.78 217 187 A 50 ILE HG1y A 50 ILE H 1.0 . 2.78 218 188 A 50 ILE H A 50 ILE HD1% 1.0 . 3.81 219 189 A 49 LYS H A 49 LYS HDx 1.0 . 5.50 220 189 A 49 LYS H A 49 LYS HDy 1.0 . 5.50 221 190 A 49 LYS H A 47 SER HBx 1.0 . 5.50 222 190 A 47 SER HBy A 49 LYS H 1.0 . 5.50 223 191 A 50 ILE H A 49 LYS HBx 1.0 . 4.28 224 191 A 50 ILE H A 49 LYS HBy 1.0 . 4.28 225 192 A 50 ILE H A 47 SER HA 1.0 . 5.50 226 193 A 50 ILE H A 48 LEU HA 1.0 . 5.50 227 194 A 48 LEU H A 47 SER HBx 1.0 . 3.55 228 194 A 47 SER HBy A 48 LEU H 1.0 . 3.55 229 195 A 48 LEU H A 49 LYS HA 1.0 . 5.10 230 196 A 46 ALA H A 45 LEU HDx% 1.0 . 4.04 231 196 A 45 LEU HDy% A 46 ALA H 1.0 . 4.04 232 197 A 67 GLN H A 67 GLN HA 1.0 . 2.88 233 198 A 68 LEU H A 69 HIS HA 1.0 . 5.26 234 199 A 68 LEU H A 67 GLN HGx 1.0 . 4.69 235 199 A 68 LEU H A 67 GLN HGy 1.0 . 4.69 236 200 A 61 GLY H A 60 LYS HGx 1.0 . 4.33 237 200 A 60 LYS HGy A 61 GLY H 1.0 . 4.33 238 201 A 61 GLY H A 17 LEU HDy% 1.0 . 4.94 239 202 A 61 GLY H A 17 LEU HDx% 1.0 . 4.94 240 203 A 42 MET H A 59 TRP HE1 1.0 . 4.59 241 204 A 40 TYR HD% A 40 TYR H 1.0 . 3.64 242 205 A 13 PHE HD% A 13 PHE H 1.0 . 4.33 243 206 A 10 ILE H A 33 THR HA 1.0 . 3.44 244 207 A 55 ARG H A 57 ALA H 1.0 . 4.27 245 208 A 58 ILE H A 55 ARG H 1.0 . 5.24 246 209 A 25 TYR H A 25 TYR HD% 1.0 . 3.39 247 210 A 13 PHE HE% A 61 GLY H 1.0 . 4.77 248 211 A 59 TRP HE1 A 63 LEU HDy% 1.0 . 4.84 249 212 A 59 TRP HE1 A 63 LEU HDx% 1.0 . 4.84 250 213 A 9 SER H A 12 SER H 1.0 . 4.95 251 214 A 66 ARG HA A 67 GLN H 1.0 . 3.56 252 215 A 67 GLN H A 68 LEU HBx 1.0 . 4.73 253 215 A 67 GLN H A 68 LEU HBy 1.0 . 4.73 254 216 A 65 HIS HD2 A 65 HIS H 1.0 . 5.09 255 217 A 66 ARG HA A 65 HIS H 1.0 . 5.50 256 218 A 64 ASP H A 66 ARG HGx 1.0 . 5.23 257 218 A 64 ASP H A 66 ARG HGy 1.0 . 5.23 258 219 A 62 ILE HG2% A 64 ASP H 1.0 . 4.42 259 220 A 59 TRP HE3 A 63 LEU H 1.0 . 5.50 260 221 A 63 LEU H A 62 ILE HG1x 1.0 . 4.73 261 221 A 62 ILE HG1y A 63 LEU H 1.0 . 4.73 262 222 A 62 ILE HG2% A 62 ILE H 1.0 . 3.24 263 223 A 60 LYS H A 45 LEU HDx% 1.0 . 5.50 264 223 A 45 LEU HDy% A 60 LYS H 1.0 . 5.50 265 224 A 59 TRP H A 45 LEU HBx 1.0 . 5.50 266 224 A 45 LEU HBy A 59 TRP H 1.0 . 5.50 267 225 A 59 TRP H A 45 LEU HDx% 1.0 . 3.76 268 225 A 45 LEU HDy% A 59 TRP H 1.0 . 3.76 269 226 A 59 TRP H A 58 ILE HB 1.0 . 3.93 270 227 A 59 TRP HE1 A 45 LEU HDx% 1.0 . 5.50 271 227 A 45 LEU HDy% A 59 TRP HE1 1.0 . 5.50 272 228 A 58 ILE H A 58 ILE HB 1.0 . 2.95 273 229 A 58 ILE H A 58 ILE HD1% 1.0 . 4.41 274 230 A 57 ALA H A 58 ILE HB 1.0 . 5.41 275 231 A 56 HIS H A 54 PHE HA 1.0 . 5.24 276 232 A 55 ARG H A 54 PHE HD% 1.0 . 4.64 277 233 A 55 ARG H A 51 PRO HDx 1.0 . 4.18 278 233 A 55 ARG H A 51 PRO HDy 1.0 . 4.18 279 234 A 55 ARG H A 56 HIS HBx 1.0 . 5.40 280 234 A 56 HIS HBy A 55 ARG H 1.0 . 5.40 281 235 A 55 ARG H A 50 ILE HD1% 1.0 . 5.50 282 236 A 52 GLU H A 52 GLU HGy 1.0 . 5.50 283 237 A 54 PHE HA A 53 GLN H 1.0 . 5.50 284 238 A 54 PHE H A 53 GLN HBx 1.0 . 4.27 285 239 A 54 PHE H A 53 GLN HBy 1.0 . 4.27 286 240 A 54 PHE H A 55 ARG HBx 1.0 . 4.19 287 240 A 54 PHE H A 55 ARG HBy 1.0 . 4.19 288 241 A 54 PHE H A 57 ALA HB% 1.0 . 5.50 289 242 A 48 LEU H A 46 ALA HB% 1.0 . 4.54 290 243 A 48 LEU H A 50 ILE HB 1.0 . 5.15 291 244 A 48 LEU H A 45 LEU HA 1.0 . 3.53 292 245 A 44 ASP H A 45 LEU HDx% 1.0 . 5.50 293 245 A 45 LEU HDy% A 44 ASP H 1.0 . 5.50 294 246 A 43 ASP H A 42 MET HBx 1.0 . 5.50 295 246 A 43 ASP H A 42 MET HBy 1.0 . 5.50 296 247 A 42 MET H A 41 SER HBy 1.0 . 3.72 297 248 A 42 MET H A 42 MET HBx 1.0 . 3.30 298 248 A 42 MET H A 42 MET HBy 1.0 . 3.30 299 249 A 40 TYR HD% A 41 SER H 1.0 . 5.34 300 250 A 40 TYR H A 37 ILE HB 1.0 . 5.18 301 251 A 39 HIS H A 38 GLU HGx 1.0 . 4.92 302 251 A 39 HIS H A 38 GLU HGy 1.0 . 4.92 303 252 A 38 GLU H A 38 GLU HGx 1.0 . 4.13 304 252 A 38 GLU H A 38 GLU HGy 1.0 . 4.13 305 253 A 38 GLU H A 38 GLU HBy 1.0 . 3.86 306 254 A 38 GLU H A 38 GLU HBx 1.0 . 3.86 307 255 A 38 GLU H A 37 ILE HG1x 1.0 . 4.45 308 256 A 37 ILE H A 37 ILE HG1y 1.0 . 3.65 309 257 A 37 ILE HD1% A 37 ILE H 1.0 . 5.50 310 258 A 37 ILE HD1% A 36 GLN H 1.0 . 5.22 311 259 A 37 ILE HG2% A 36 GLN H 1.0 . 4.66 312 260 A 36 GLN H A 36 GLN HBx 1.0 . 2.77 313 260 A 36 GLN H A 36 GLN HBy 1.0 . 2.77 314 261 A 34 ILE HG2% A 36 GLN H 1.0 . 5.48 315 262 A 36 GLN H A 10 ILE HG1x 1.0 . 5.50 316 262 A 36 GLN H A 10 ILE HG1y 1.0 . 5.50 317 263 A 37 ILE H A 36 GLN HBx 1.0 . 4.08 318 263 A 37 ILE H A 36 GLN HBy 1.0 . 4.08 319 264 A 35 TYR H A 36 GLN HBx 1.0 . 5.50 320 264 A 36 GLN HBy A 35 TYR H 1.0 . 5.50 321 265 A 35 TYR H A 33 THR HG2% 1.0 . 5.25 322 266 A 35 TYR H A 34 ILE HB 1.0 . 4.13 323 267 A 34 ILE H A 34 ILE HG1y 1.0 . 3.79 324 268 A 34 ILE HG2% A 34 ILE H 1.0 . 3.92 325 269 A 33 THR H A 37 ILE H 1.0 . 5.49 326 270 A 33 THR H A 36 GLN HBx 1.0 . 3.79 327 270 A 33 THR H A 36 GLN HBy 1.0 . 3.79 328 271 A 33 THR H A 10 ILE HB 1.0 . 3.85 329 272 A 33 THR H A 36 GLN H 1.0 . 5.05 330 273 A 37 ILE HG2% A 33 THR H 1.0 . 5.50 331 274 A 32 THR H A 31 LEU HBx 1.0 . 4.31 332 274 A 32 THR H A 31 LEU HBy 1.0 . 4.31 333 275 A 31 LEU H A 31 LEU HDx% 1.0 . 3.86 334 276 A 31 LEU H A 31 LEU HDy% 1.0 . 3.86 335 277 A 32 THR HB A 31 LEU H 1.0 . 4.97 336 278 A 30 GLY H A 31 LEU HBx 1.0 . 5.50 337 278 A 30 GLY H A 31 LEU HBy 1.0 . 5.50 338 279 A 32 THR HG2% A 30 GLY H 1.0 . 4.47 339 280 A 29 GLN H A 29 GLN HGx 1.0 . 3.29 340 280 A 29 GLN H A 29 GLN HGy 1.0 . 3.29 341 281 A 29 GLN H A 31 LEU HG 1.0 . 5.21 342 282 A 32 THR HG2% A 29 GLN H 1.0 . 5.50 343 283 A 28 THR H A 24 ASP HBx 1.0 . 5.50 344 283 A 28 THR H A 24 ASP HBy 1.0 . 5.50 345 284 A 27 THR H A 26 PHE HBx 1.0 . 3.21 346 284 A 27 THR H A 26 PHE HBy 1.0 . 3.21 347 285 A 27 THR H A 29 GLN HGx 1.0 . 5.50 348 285 A 27 THR H A 29 GLN HGy 1.0 . 5.50 349 286 A 26 PHE H A 25 TYR HD% 1.0 . 5.04 350 287 A 26 PHE H A 23 LEU HDx% 1.0 . 5.50 351 287 A 26 PHE H A 23 LEU HDy% 1.0 . 5.50 352 288 A 25 TYR H A 25 TYR HE% 1.0 . 5.50 353 289 A 14 PHE HD% A 23 LEU H 1.0 . 4.06 354 290 A 23 LEU H A 27 THR HG2% 1.0 . 5.50 355 291 A 22 CYS H A 23 LEU HG 1.0 . 5.22 356 292 A 19 CYS H A 17 LEU HBx 1.0 . 3.57 357 292 A 17 LEU HBy A 19 CYS H 1.0 . 3.57 358 293 A 18 GLY H A 17 LEU HBx 1.0 . 3.94 359 293 A 17 LEU HBy A 18 GLY H 1.0 . 3.94 360 294 A 17 LEU H A 16 ARG HDx 1.0 . 5.38 361 294 A 17 LEU H A 16 ARG HDy 1.0 . 5.38 362 295 A 13 PHE HD% A 16 ARG H 1.0 . 5.29 363 296 A 14 PHE H A 12 SER HA 1.0 . 5.14 364 297 A 14 PHE H A 10 ILE HB 1.0 . 5.50 365 298 A 14 PHE H A 11 VAL HGx% 1.0 . 5.50 366 299 A 14 PHE H A 11 VAL HGy% 1.0 . 5.50 367 300 A 14 PHE H A 23 LEU HDx% 1.0 . 5.50 368 300 A 14 PHE H A 23 LEU HDy% 1.0 . 5.50 369 301 A 14 PHE H A 10 ILE HG2% 1.0 . 4.32 370 302 A 14 PHE HA A 13 PHE H 1.0 . 5.28 371 303 A 13 PHE H A 12 SER HBx 1.0 . 3.30 372 303 A 13 PHE H A 12 SER HBy 1.0 . 3.30 373 304 A 13 PHE H A 10 ILE HB 1.0 . 5.50 374 305 A 13 PHE H A 11 VAL HGx% 1.0 . 5.50 375 306 A 13 PHE H A 34 ILE HD1% 1.0 . 5.11 376 307 A 11 VAL H A 33 THR HA 1.0 . 5.43 377 308 A 11 VAL H A 12 SER HBx 1.0 . 4.68 378 308 A 11 VAL H A 12 SER HBy 1.0 . 4.68 379 309 A 11 VAL H A 10 ILE HG1x 1.0 . 4.82 380 309 A 11 VAL H A 10 ILE HG1y 1.0 . 4.82 381 310 A 10 ILE H A 10 ILE HB 1.0 . 3.18 382 311 A 10 ILE H A 10 ILE HD1% 1.0 . 4.24 383 312 A 10 ILE H A 10 ILE HG2% 1.0 . 3.88 384 313 A 10 ILE H A 10 ILE HG1x 1.0 . 3.69 385 313 A 10 ILE H A 10 ILE HG1y 1.0 . 3.69 386 314 A 34 ILE H A 10 ILE HG1x 1.0 . 4.11 387 314 A 34 ILE H A 10 ILE HG1y 1.0 . 4.11 388 315 A 34 ILE H A 34 ILE HD1% 1.0 . 5.50 389 316 A 62 ILE HG2% A 59 TRP HE1 1.0 . 4.49 390 317 A 42 MET H A 41 SER HBx 1.0 . 3.72 391 318 A 9 SER H A 9 SER HBy 1.0 . 3.51 392 318 A 9 SER H A 9 SER HBx 1.0 . 3.51 393 319 A 10 ILE H A 9 SER HBy 1.0 . 3.92 394 319 A 10 ILE H A 9 SER HBx 1.0 . 3.92 395 320 A 12 SER H A 9 SER HBy 1.0 . 4.21 396 320 A 12 SER H A 9 SER HBx 1.0 . 4.21 397 321 A 14 PHE HZ A 58 ILE HG1x 1.0 . 4.02 398 321 A 14 PHE HZ A 58 ILE HG1y 1.0 . 4.02 399 322 A 16 ARG H A 16 ARG HBx 1.0 . 2.41 400 322 A 16 ARG H A 16 ARG HBy 1.0 . 2.41 401 323 A 16 ARG H A 16 ARG HGx 1.0 . 2.90 402 323 A 16 ARG H A 16 ARG HGy 1.0 . 2.90 403 324 A 17 LEU H A 16 ARG HBx 1.0 . 3.01 404 324 A 17 LEU H A 16 ARG HBy 1.0 . 3.01 405 325 A 17 LEU H A 16 ARG HGx 1.0 . 4.24 406 325 A 17 LEU H A 16 ARG HGy 1.0 . 4.24 407 326 A 19 CYS H A 18 GLY HAx 1.0 . 3.04 408 326 A 19 CYS H A 18 GLY HAy 1.0 . 3.04 409 327 A 29 GLN H A 30 GLY HAx 1.0 . 4.69 410 327 A 29 GLN H A 30 GLY HAy 1.0 . 4.69 411 328 A 33 THR H A 36 GLN HGy 1.0 . 5.34 412 328 A 33 THR H A 36 GLN HGx 1.0 . 5.34 413 329 A 35 TYR H A 35 TYR HBy 1.0 . 3.41 414 329 A 35 TYR H A 35 TYR HBx 1.0 . 3.41 415 330 A 36 GLN H A 35 TYR HBy 1.0 . 3.50 416 330 A 36 GLN H A 35 TYR HBx 1.0 . 3.50 417 331 A 39 HIS H A 38 GLU HBx 1.0 . 4.42 418 331 A 39 HIS H A 38 GLU HBy 1.0 . 4.42 419 332 A 40 TYR HD% A 44 ASP HBx 1.0 . 4.03 420 332 A 40 TYR HD% A 44 ASP HBy 1.0 . 4.03 421 333 A 41 SER H A 41 SER HBy 1.0 . 3.58 422 333 A 41 SER H A 41 SER HBx 1.0 . 3.58 423 334 A 42 MET H A 41 SER HBy 1.0 . 3.06 424 334 A 42 MET H A 41 SER HBx 1.0 . 3.06 425 335 A 43 ASP H A 41 SER HBy 1.0 . 4.21 426 335 A 43 ASP H A 41 SER HBx 1.0 . 4.21 427 336 A 44 ASP H A 41 SER HBy 1.0 . 4.10 428 336 A 44 ASP H A 41 SER HBx 1.0 . 4.10 429 337 A 59 TRP HE1 A 41 SER HBy 1.0 . 5.17 430 337 A 59 TRP HE1 A 41 SER HBx 1.0 . 5.17 431 338 A 43 ASP H A 43 ASP HBy 1.0 . 3.59 432 338 A 43 ASP H A 43 ASP HBx 1.0 . 3.59 433 339 A 45 LEU H A 44 ASP HBx 1.0 . 3.48 434 339 A 45 LEU H A 44 ASP HBy 1.0 . 3.48 435 340 A 52 GLU H A 52 GLU HGx 1.0 . 4.67 436 340 A 52 GLU H A 52 GLU HGy 1.0 . 4.67 437 341 A 54 PHE H A 53 GLN HBx 1.0 . 3.72 438 341 A 54 PHE H A 53 GLN HBy 1.0 . 3.72 439 342 A 55 ARG H A 54 PHE HBy 1.0 . 3.81 440 342 A 55 ARG H A 54 PHE HBx 1.0 . 3.81 441 343 A 58 ILE H A 54 PHE HBy 1.0 . 5.34 442 343 A 58 ILE H A 54 PHE HBx 1.0 . 5.34 443 344 A 58 ILE H A 58 ILE HG1x 1.0 . 3.85 444 344 A 58 ILE H A 58 ILE HG1y 1.0 . 3.85 445 345 A 59 TRP H A 58 ILE HG1x 1.0 . 4.07 446 345 A 59 TRP H A 58 ILE HG1y 1.0 . 4.07 447 346 A 63 LEU H A 64 ASP HBx 1.0 . 4.77 448 346 A 63 LEU H A 64 ASP HBy 1.0 . 4.77 449 347 A 66 ARG H A 64 ASP HBx 1.0 . 5.25 450 347 A 66 ARG H A 64 ASP HBy 1.0 . 5.25 451 348 A 70 ASP H A 70 ASP HBy 1.0 . 3.31 452 348 A 70 ASP H A 70 ASP HBx 1.0 . 3.31 453 349 A 26 PHE HD% A 26 PHE HA 1.0 . 3.89 454 350 A 26 PHE HD% A 31 LEU HBx 1.0 . 4.30 455 350 A 26 PHE HD% A 31 LEU HBy 1.0 . 4.30 456 351 A 26 PHE HD% A 10 ILE HG1x 1.0 . 4.67 457 351 A 26 PHE HD% A 10 ILE HG1y 1.0 . 4.67 458 352 A 59 TRP HA A 59 TRP HE3 1.0 . 4.70 459 353 A 25 TYR HD% A 22 CYS HA 1.0 . 3.62 460 354 A 25 TYR HD% A 25 TYR HA 1.0 . 3.76 461 355 A 26 PHE HE% A 33 THR HG2% 1.0 . 4.28 462 356 A 37 ILE HG2% A 59 TRP HD1 1.0 . 4.55 463 357 A 35 TYR HA A 35 TYR HD% 1.0 . 3.43 464 358 A 54 PHE HD% A 50 ILE HA 1.0 . 3.77 465 359 A 54 PHE HD% A 19 CYS HBx 1.0 . 5.45 466 359 A 19 CYS HBy A 54 PHE HD% 1.0 . 5.45 467 360 A 13 PHE HE% A 34 ILE HD1% 1.0 . 5.22 468 361 A 37 ILE HD1% A 13 PHE HE% 1.0 . 4.45 469 362 A 40 TYR HE% A 48 LEU HDy% 1.0 . 5.14 470 363 A 40 TYR HD% A 33 THR HG2% 1.0 . 4.00 471 364 A 40 TYR HE% A 33 THR HG2% 1.0 . 4.02 472 365 A 19 CYS HA A 54 PHE HE% 1.0 . 5.45 473 366 A 26 PHE HE% A 14 PHE HE% 1.0 . 3.68 474 367 A 26 PHE HE% A 14 PHE HZ 1.0 . 4.62 475 368 A 13 PHE HD% A 17 LEU HDx% 1.0 . 4.74 476 368 A 13 PHE HD% A 17 LEU HDy% 1.0 . 4.74 477 369 A 14 PHE HD% A 17 LEU HDx% 1.0 . 4.26 478 369 A 14 PHE HD% A 17 LEU HDy% 1.0 . 4.26 479 370 A 26 PHE HD% A 25 TYR HBy 1.0 . 3.75 480 370 A 26 PHE HD% A 25 TYR HBx 1.0 . 3.75 481 371 A 35 TYR HE% A 34 ILE HG1x 1.0 . 3.77 482 371 A 34 ILE HG1y A 35 TYR HE% 1.0 . 3.77 483 372 A 40 TYR HE% A 48 LEU HDx% 1.0 . 4.08 484 372 A 40 TYR HE% A 48 LEU HDy% 1.0 . 4.08 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _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 26 PHE HE% A 50 ILE HD1% 1.0 . 3.25 2 2 A 57 ALA HB% A 54 PHE HD% 1.0 . 3.98 3 3 A 54 PHE HD% A 55 ARG HBx 1.0 . 3.73 4 3 A 55 ARG HBy A 54 PHE HD% 1.0 . 3.73 5 4 A 13 PHE HD% A 13 PHE HA 1.0 . 3.39 6 5 A 13 PHE HD% A 10 ILE HA 1.0 . 4.31 7 6 A 25 TYR HE% A 22 CYS HA 1.0 . 4.15 8 7 A 40 TYR HE% A 40 TYR HA 1.0 . 4.45 9 8 A 14 PHE HE% A 23 LEU HA 1.0 . 3.53 10 9 A 14 PHE HE% A 14 PHE HA 1.0 . 4.35 11 10 A 14 PHE HD% A 23 LEU HBx 1.0 . 5.33 12 10 A 14 PHE HD% A 23 LEU HBy 1.0 . 5.33 13 11 A 14 PHE HD% A 23 LEU HA 1.0 . 3.85 14 12 A 58 ILE HG2% A 14 PHE HZ 1.0 . 4.24 15 13 A 10 ILE HG2% A 14 PHE HZ 1.0 . 4.78 16 14 A 62 ILE HB A 65 HIS HD2 1.0 . 5.50 17 15 A 54 PHE HD% A 50 ILE HG2% 1.0 . 4.85 18 16 A 13 PHE HD% A 34 ILE HD1% 1.0 . 4.57 19 17 A 54 PHE HA A 54 PHE HE% 1.0 . 4.70 20 18 A 59 TRP HE3 A 45 LEU HDx% 1.0 . 4.99 21 18 A 45 LEU HDy% A 59 TRP HE3 1.0 . 4.99 22 19 A 26 PHE HD% A 14 PHE HZ 1.0 . 4.74 23 20 A 26 PHE HD% A 14 PHE HE% 1.0 . 4.41 24 21 A 13 PHE HE% A 14 PHE HE% 1.0 . 3.66 25 22 A 54 PHE HA A 54 PHE HD% 1.0 . 3.34 26 23 A 11 VAL H A 11 VAL HB 1.0 . 3.67 27 24 A 12 SER H A 12 SER HBx 1.0 . 2.82 28 24 A 12 SER H A 12 SER HBy 1.0 . 2.82 29 25 A 14 PHE H A 14 PHE HBx 1.0 . 3.60 30 26 A 15 ALA H A 15 ALA HB% 1.0 . 2.73 31 27 A 55 ARG H A 55 ARG HBx 1.0 . 2.86 32 27 A 55 ARG HBy A 55 ARG H 1.0 . 2.86 33 28 A 17 LEU H A 17 LEU HDx% 1.0 . 3.98 34 29 A 17 LEU H A 17 LEU HDy% 1.0 . 3.98 35 30 A 23 LEU H A 23 LEU HBx 1.0 . 2.68 36 30 A 23 LEU H A 23 LEU HBy 1.0 . 2.68 37 31 A 24 ASP H A 24 ASP HBx 1.0 . 3.42 38 31 A 24 ASP H A 24 ASP HBy 1.0 . 3.42 39 32 A 28 THR H A 28 THR HB 1.0 . 3.29 40 33 A 40 TYR H A 40 TYR HBy 1.0 . 3.63 41 34 A 44 ASP H A 44 ASP HBx 1.0 . 3.66 42 35 A 44 ASP H A 44 ASP HBy 1.0 . 3.66 43 36 A 46 ALA H A 46 ALA HB% 1.0 . 2.75 44 37 A 48 LEU H A 48 LEU HBx 1.0 . 2.76 45 37 A 48 LEU H A 48 LEU HBy 1.0 . 2.76 46 38 A 48 LEU H A 48 LEU HG 1.0 . 3.48 47 39 A 59 TRP H A 59 TRP HBx 1.0 . 3.00 48 40 A 60 LYS H A 60 LYS HBx 1.0 . 3.07 49 41 A 62 ILE HB A 62 ILE H 1.0 . 2.77 50 42 A 63 LEU H A 63 LEU HBx 1.0 . 2.82 51 42 A 63 LEU HBy A 63 LEU H 1.0 . 2.82 52 43 A 64 ASP H A 64 ASP HBx 1.0 . 3.61 53 44 A 64 ASP H A 64 ASP HBy 1.0 . 3.61 54 45 A 65 HIS H A 65 HIS HBy 1.0 . 3.01 55 46 A 66 ARG H A 66 ARG HGx 1.0 . 3.72 56 46 A 66 ARG H A 66 ARG HGy 1.0 . 3.72 57 47 A 66 ARG H A 66 ARG HBx 1.0 . 2.71 58 47 A 66 ARG HBy A 66 ARG H 1.0 . 2.71 59 48 A 66 ARG H A 66 ARG HDx 1.0 . 3.88 60 48 A 66 ARG H A 66 ARG HDy 1.0 . 3.88 61 49 A 68 LEU H A 68 LEU HBx 1.0 . 2.83 62 49 A 68 LEU H A 68 LEU HBy 1.0 . 2.83 63 50 A 68 LEU H A 68 LEU HDx% 1.0 . 3.86 64 50 A 68 LEU H A 68 LEU HDy% 1.0 . 3.86 65 51 A 69 HIS H A 69 HIS HBy 1.0 . 3.36 66 52 A 11 VAL H A 11 VAL HGy% 1.0 . 3.14 67 53 A 23 LEU H A 23 LEU HDx% 1.0 . 3.47 68 53 A 23 LEU H A 23 LEU HDy% 1.0 . 3.47 69 54 A 27 THR H A 27 THR HG2% 1.0 . 3.06 70 55 A 48 LEU H A 48 LEU HDx% 1.0 . 4.05 71 56 A 69 HIS H A 70 ASP H 1.0 . 5.43 72 57 A 69 HIS H A 68 LEU HBx 1.0 . 4.65 73 57 A 69 HIS H A 68 LEU HBy 1.0 . 4.65 74 58 A 68 LEU H A 66 ARG H 1.0 . 5.50 75 59 A 66 ARG HA A 68 LEU H 1.0 . 4.82 76 60 A 66 ARG H A 65 HIS HBy 1.0 . 4.22 77 61 A 66 ARG H A 65 HIS HBx 1.0 . 4.22 78 62 A 66 ARG H A 67 GLN HBx 1.0 . 4.71 79 62 A 67 GLN HBy A 66 ARG H 1.0 . 4.71 80 63 A 65 HIS H A 67 GLN H 1.0 . 3.69 81 64 A 65 HIS H A 63 LEU HA 1.0 . 4.42 82 65 A 65 HIS H A 64 ASP HBy 1.0 . 4.11 83 66 A 62 ILE HB A 65 HIS H 1.0 . 5.50 84 67 A 65 HIS H A 63 LEU HBx 1.0 . 4.88 85 67 A 65 HIS H A 63 LEU HBy 1.0 . 4.88 86 68 A 65 HIS H A 64 ASP H 1.0 . 3.18 87 69 A 62 ILE HB A 64 ASP H 1.0 . 5.32 88 70 A 64 ASP H A 63 LEU HBx 1.0 . 3.02 89 70 A 64 ASP H A 63 LEU HBy 1.0 . 3.02 90 71 A 59 TRP HA A 63 LEU H 1.0 . 4.37 91 72 A 63 LEU H A 60 LYS HA 1.0 . 4.06 92 73 A 62 ILE HB A 63 LEU H 1.0 . 3.87 93 74 A 62 ILE HG2% A 63 LEU H 1.0 . 3.17 94 75 A 63 LEU H A 63 LEU HDy% 1.0 . 4.25 95 76 A 65 HIS H A 63 LEU H 1.0 . 4.32 96 77 A 59 TRP HA A 62 ILE H 1.0 . 4.29 97 78 A 62 ILE H A 63 LEU HBx 1.0 . 5.17 98 78 A 63 LEU HBy A 62 ILE H 1.0 . 5.17 99 79 A 60 LYS H A 61 GLY H 1.0 . 2.85 100 80 A 59 TRP H A 61 GLY H 1.0 . 4.12 101 81 A 62 ILE H A 61 GLY H 1.0 . 3.03 102 82 A 62 ILE HB A 61 GLY H 1.0 . 5.28 103 83 A 60 LYS H A 57 ALA HA 1.0 . 5.50 104 84 A 59 TRP H A 60 LYS H 1.0 . 3.19 105 85 A 56 HIS HA A 59 TRP H 1.0 . 3.80 106 86 A 59 TRP H A 57 ALA HB% 1.0 . 4.53 107 87 A 56 HIS H A 57 ALA H 1.0 . 3.68 108 88 A 57 ALA H A 54 PHE HA 1.0 . 4.73 109 89 A 57 ALA H A 56 HIS HBx 1.0 . 3.32 110 89 A 56 HIS HBy A 57 ALA H 1.0 . 3.32 111 90 A 56 HIS H A 55 ARG H 1.0 . 3.83 112 91 A 47 SER H A 48 LEU H 1.0 . 3.31 113 92 A 47 SER H A 46 ALA HB% 1.0 . 3.56 114 93 A 48 LEU H A 46 ALA H 1.0 . 5.50 115 94 A 45 LEU H A 46 ALA H 1.0 . 3.22 116 95 A 46 ALA H A 43 ASP HA 1.0 . 4.22 117 96 A 46 ALA H A 45 LEU HBx 1.0 . 3.30 118 96 A 45 LEU HBy A 46 ALA H 1.0 . 3.30 119 97 A 45 LEU H A 44 ASP HBx 1.0 . 4.14 120 98 A 45 LEU H A 46 ALA HB% 1.0 . 4.55 121 99 A 40 TYR HA A 44 ASP H 1.0 . 5.29 122 100 A 42 MET HA A 44 ASP H 1.0 . 4.85 123 101 A 41 SER HA A 43 ASP H 1.0 . 5.50 124 102 A 40 TYR H A 39 HIS HBx 1.0 . 4.40 125 102 A 40 TYR H A 39 HIS HBy 1.0 . 4.40 126 103 A 39 HIS H A 38 GLU H 1.0 . 4.01 127 104 A 38 GLU H A 39 HIS HBx 1.0 . 5.50 128 104 A 39 HIS HBy A 38 GLU H 1.0 . 5.50 129 105 A 37 ILE H A 36 GLN H 1.0 . 3.02 130 106 A 36 GLN H A 35 TYR HBy 1.0 . 4.09 131 107 A 36 GLN H A 35 TYR HBx 1.0 . 4.09 132 108 A 34 ILE H A 35 TYR H 1.0 . 3.71 133 109 A 34 ILE H A 33 THR HA 1.0 . 2.96 134 110 A 33 THR HB A 34 ILE H 1.0 . 3.57 135 111 A 33 THR H A 10 ILE H 1.0 . 4.39 136 112 A 32 THR H A 31 LEU H 1.0 . 4.92 137 113 A 30 GLY H A 27 THR HA 1.0 . 3.87 138 114 A 31 LEU H A 29 GLN H 1.0 . 4.21 139 115 A 30 GLY H A 29 GLN H 1.0 . 2.98 140 116 A 28 THR H A 29 GLN H 1.0 . 3.36 141 117 A 29 GLN H A 27 THR HA 1.0 . 4.40 142 118 A 27 THR H A 28 THR H 1.0 . 3.77 143 119 A 28 THR H A 30 GLY H 1.0 . 4.09 144 120 A 28 THR H A 24 ASP HA 1.0 . 4.27 145 121 A 27 THR H A 26 PHE H 1.0 . 3.00 146 122 A 26 PHE HD% A 27 THR H 1.0 . 4.62 147 123 A 27 THR H A 29 GLN H 1.0 . 4.81 148 124 A 27 THR H A 24 ASP HA 1.0 . 4.23 149 125 A 27 THR H A 25 TYR HA 1.0 . 5.06 150 126 A 27 THR H A 23 LEU HDx% 1.0 . 4.38 151 126 A 27 THR H A 23 LEU HDy% 1.0 . 4.38 152 127 A 25 TYR H A 26 PHE H 1.0 . 3.00 153 128 A 26 PHE H A 24 ASP HA 1.0 . 4.77 154 129 A 26 PHE H A 27 THR HA 1.0 . 5.50 155 130 A 26 PHE H A 25 TYR HBx 1.0 . 3.88 156 131 A 23 LEU H A 25 TYR H 1.0 . 4.31 157 132 A 25 TYR H A 26 PHE HBx 1.0 . 5.50 158 132 A 25 TYR H A 26 PHE HBy 1.0 . 5.50 159 133 A 25 TYR H A 24 ASP HBx 1.0 . 3.80 160 133 A 25 TYR H A 24 ASP HBy 1.0 . 3.80 161 134 A 23 LEU H A 24 ASP HA 1.0 . 5.45 162 135 A 23 LEU H A 22 CYS HBx 1.0 . 5.50 163 136 A 23 LEU H A 24 ASP HBx 1.0 . 5.17 164 136 A 23 LEU H A 24 ASP HBy 1.0 . 5.17 165 137 A 22 CYS H A 19 CYS HA 1.0 . 5.10 166 138 A 22 CYS H A 19 CYS HBx 1.0 . 4.34 167 138 A 22 CYS H A 19 CYS HBy 1.0 . 4.34 168 139 A 22 CYS H A 23 LEU HDx% 1.0 . 4.89 169 139 A 22 CYS H A 23 LEU HDy% 1.0 . 4.89 170 140 A 17 LEU H A 19 CYS H 1.0 . 4.34 171 141 A 17 LEU H A 18 GLY H 1.0 . 3.23 172 142 A 17 LEU H A 16 ARG HGy 1.0 . 4.87 173 143 A 14 PHE H A 16 ARG H 1.0 . 4.82 174 144 A 16 ARG H A 15 ALA HB% 1.0 . 3.01 175 145 A 16 ARG H A 15 ALA H 1.0 . 2.98 176 146 A 14 PHE H A 15 ALA H 1.0 . 3.34 177 147 A 13 PHE HA A 15 ALA H 1.0 . 4.78 178 148 A 15 ALA H A 14 PHE HBx 1.0 . 3.86 179 149 A 14 PHE H A 10 ILE HA 1.0 . 4.16 180 150 A 13 PHE H A 10 ILE HA 1.0 . 3.57 181 151 A 13 PHE H A 15 ALA HB% 1.0 . 5.50 182 152 A 12 SER H A 11 VAL HB 1.0 . 3.42 183 153 A 14 PHE H A 12 SER H 1.0 . 5.50 184 154 A 11 VAL H A 9 SER HA 1.0 . 4.40 185 155 A 49 LYS H A 50 ILE H 1.0 . 3.36 186 156 A 50 ILE H A 50 ILE HG2% 1.0 . 4.03 187 157 A 50 ILE HB A 50 ILE H 1.0 . 3.08 188 158 A 49 LYS H A 49 LYS HGx 1.0 . 3.98 189 158 A 49 LYS H A 49 LYS HGy 1.0 . 3.98 190 159 A 49 LYS H A 48 LEU HBx 1.0 . 4.80 191 159 A 49 LYS H A 48 LEU HBy 1.0 . 4.80 192 160 A 49 LYS H A 46 ALA HA 1.0 . 5.19 193 161 A 50 ILE H A 49 LYS HDx 1.0 . 5.00 194 161 A 50 ILE H A 49 LYS HDy 1.0 . 5.00 195 162 A 50 ILE H A 48 LEU HBx 1.0 . 4.40 196 162 A 48 LEU HBy A 50 ILE H 1.0 . 4.40 197 163 A 48 LEU H A 50 ILE HG1x 1.0 . 4.05 198 163 A 50 ILE HG1y A 48 LEU H 1.0 . 4.05 199 164 A 47 SER H A 48 LEU HBx 1.0 . 4.89 200 164 A 47 SER H A 48 LEU HBy 1.0 . 4.89 201 165 A 46 ALA H A 44 ASP HBy 1.0 . 5.50 202 166 A 67 GLN H A 66 ARG HGx 1.0 . 4.37 203 166 A 67 GLN H A 66 ARG HGy 1.0 . 4.37 204 167 A 62 ILE H A 17 LEU HDy% 1.0 . 5.50 205 168 A 62 ILE H A 17 LEU HDx% 1.0 . 5.50 206 169 A 41 SER HA A 59 TRP HE1 1.0 . 3.69 207 170 A 13 PHE HE% A 62 ILE H 1.0 . 3.88 208 171 A 13 PHE H A 15 ALA H 1.0 . 4.20 209 172 A 23 LEU H A 24 ASP H 1.0 . 3.77 210 173 A 23 LEU H A 26 PHE H 1.0 . 4.77 211 174 A 44 ASP H A 43 ASP H 1.0 . 3.80 212 175 A 59 TRP HE3 A 59 TRP H 1.0 . 5.44 213 176 A 42 MET H A 43 ASP H 1.0 . 4.45 214 177 A 65 HIS HD2 A 66 ARG H 1.0 . 4.20 215 178 A 35 TYR H A 35 TYR HD% 1.0 . 3.46 216 179 A 54 PHE H A 53 GLN H 1.0 . 4.15 217 180 A 54 PHE H A 54 PHE HD% 1.0 . 4.15 218 181 A 25 TYR H A 24 ASP H 1.0 . 4.13 219 182 A 13 PHE HD% A 14 PHE H 1.0 . 4.00 220 183 A 14 PHE HD% A 14 PHE H 1.0 . 3.67 221 184 A 34 ILE H A 36 GLN H 1.0 . 4.50 222 185 A 26 PHE HE% A 26 PHE H 1.0 . 4.97 223 186 A 32 THR H A 30 GLY H 1.0 . 4.42 224 187 A 10 ILE H A 12 SER H 1.0 . 4.84 225 188 A 68 LEU H A 67 GLN HBx 1.0 . 3.49 226 188 A 68 LEU H A 67 GLN HBy 1.0 . 3.49 227 189 A 67 GLN H A 66 ARG HDx 1.0 . 2.99 228 189 A 67 GLN H A 66 ARG HDy 1.0 . 2.99 229 190 A 12 SER H A 11 VAL HGx% 1.0 . 4.09 230 191 A 66 ARG H A 64 ASP HA 1.0 . 5.50 231 192 A 13 PHE HE% A 65 HIS H 1.0 . 5.50 232 193 A 67 GLN H A 64 ASP H 1.0 . 4.83 233 194 A 64 ASP H A 63 LEU HDx% 1.0 . 4.87 234 195 A 64 ASP H A 63 LEU HDy% 1.0 . 4.87 235 196 A 13 PHE HE% A 63 LEU H 1.0 . 5.38 236 197 A 62 ILE H A 62 ILE HG1x 1.0 . 4.18 237 197 A 62 ILE HG1y A 62 ILE H 1.0 . 4.18 238 198 A 62 ILE HG2% A 61 GLY H 1.0 . 4.60 239 199 A 59 TRP HE3 A 60 LYS H 1.0 . 4.89 240 200 A 58 ILE HG2% A 59 TRP H 1.0 . 3.66 241 201 A 59 TRP H A 58 ILE HG1y 1.0 . 4.63 242 202 A 59 TRP H A 58 ILE HG1x 1.0 . 4.63 243 203 A 59 TRP H A 58 ILE HD1% 1.0 . 4.26 244 204 A 59 TRP HD1 A 59 TRP H 1.0 . 4.47 245 205 A 58 ILE H A 57 ALA HB% 1.0 . 3.29 246 206 A 58 ILE HG2% A 58 ILE H 1.0 . 3.86 247 207 A 58 ILE H A 58 ILE HG1y 1.0 . 4.52 248 208 A 58 ILE H A 58 ILE HG1x 1.0 . 4.52 249 209 A 55 ARG H A 55 ARG HDx 1.0 . 4.74 250 209 A 55 ARG H A 55 ARG HDy 1.0 . 4.74 251 210 A 55 ARG H A 55 ARG HGx 1.0 . 4.19 252 210 A 55 ARG H A 55 ARG HGy 1.0 . 4.19 253 211 A 55 ARG H A 50 ILE HG2% 1.0 . 5.50 254 212 A 52 GLU H A 51 PRO HDx 1.0 . 5.50 255 212 A 51 PRO HDy A 52 GLU H 1.0 . 5.50 256 213 A 52 GLU H A 52 GLU HGx 1.0 . 5.50 257 214 A 53 GLN H A 53 GLN HGx 1.0 . 5.50 258 214 A 53 GLN H A 53 GLN HGy 1.0 . 5.50 259 215 A 54 PHE H A 51 PRO HDx 1.0 . 5.04 260 215 A 54 PHE H A 51 PRO HDy 1.0 . 5.04 261 216 A 54 PHE H A 50 ILE HG2% 1.0 . 4.30 262 217 A 54 PHE H A 55 ARG HA 1.0 . 5.50 263 218 A 42 MET H A 42 MET HGx 1.0 . 3.29 264 218 A 42 MET H A 42 MET HGy 1.0 . 3.29 265 219 A 40 TYR H A 39 HIS HD2 1.0 . 5.13 266 220 A 37 ILE HA A 40 TYR H 1.0 . 4.28 267 221 A 38 GLU H A 37 ILE HG1y 1.0 . 4.45 268 222 A 37 ILE H A 37 ILE HG1x 1.0 . 3.65 269 223 A 37 ILE HG2% A 37 ILE H 1.0 . 3.72 270 224 A 36 GLN H A 35 TYR H 1.0 . 2.66 271 225 A 36 GLN H A 33 THR HG2% 1.0 . 4.90 272 226 A 34 ILE HG2% A 35 TYR H 1.0 . 4.14 273 227 A 34 ILE H A 33 THR HG2% 1.0 . 4.40 274 228 A 34 ILE H A 34 ILE HB 1.0 . 3.08 275 229 A 34 ILE H A 34 ILE HG1x 1.0 . 3.79 276 230 A 33 THR H A 33 THR HG2% 1.0 . 3.31 277 231 A 33 THR H A 10 ILE HG1x 1.0 . 3.86 278 231 A 33 THR H A 10 ILE HG1y 1.0 . 3.86 279 232 A 33 THR H A 10 ILE HG2% 1.0 . 4.68 280 233 A 32 THR H A 33 THR HG2% 1.0 . 3.65 281 234 A 31 LEU H A 31 LEU HG 1.0 . 3.18 282 235 A 31 LEU H A 31 LEU HBx 1.0 . 3.21 283 235 A 31 LEU H A 31 LEU HBy 1.0 . 3.21 284 236 A 31 LEU H A 29 GLN HGx 1.0 . 5.16 285 236 A 31 LEU H A 29 GLN HGy 1.0 . 5.16 286 237 A 31 LEU H A 27 THR HA 1.0 . 4.24 287 238 A 30 GLY H A 29 GLN HGx 1.0 . 4.33 288 238 A 30 GLY H A 29 GLN HGy 1.0 . 4.33 289 239 A 30 GLY H A 31 LEU HDx% 1.0 . 5.09 290 240 A 30 GLY H A 27 THR HG2% 1.0 . 5.50 291 241 A 30 GLY H A 31 LEU HDy% 1.0 . 5.09 292 242 A 29 GLN H A 29 GLN HBy 1.0 . 3.75 293 243 A 29 GLN H A 29 GLN HBx 1.0 . 3.75 294 244 A 28 THR H A 29 GLN HGx 1.0 . 5.50 295 244 A 28 THR H A 29 GLN HGy 1.0 . 5.50 296 245 A 27 THR H A 24 ASP HBx 1.0 . 5.50 297 245 A 27 THR H A 24 ASP HBy 1.0 . 5.50 298 246 A 27 THR H A 23 LEU HBx 1.0 . 5.39 299 246 A 27 THR H A 23 LEU HBy 1.0 . 5.39 300 247 A 32 THR HG2% A 27 THR H 1.0 . 4.16 301 248 A 32 THR HG2% A 26 PHE H 1.0 . 5.50 302 249 A 26 PHE H A 50 ILE HD1% 1.0 . 5.50 303 250 A 24 ASP H A 22 CYS HA 1.0 . 4.25 304 251 A 24 ASP H A 23 LEU HBx 1.0 . 3.96 305 251 A 24 ASP H A 23 LEU HBy 1.0 . 3.96 306 252 A 24 ASP H A 23 LEU HDx% 1.0 . 4.98 307 252 A 24 ASP H A 23 LEU HDy% 1.0 . 4.98 308 253 A 22 CYS H A 25 TYR HD% 1.0 . 4.97 309 254 A 14 PHE HD% A 22 CYS H 1.0 . 5.28 310 255 A 22 CYS H A 23 LEU HBx 1.0 . 4.71 311 255 A 22 CYS H A 23 LEU HBy 1.0 . 4.71 312 256 A 22 CYS H A 23 LEU H 1.0 . 2.66 313 257 A 17 LEU HG A 19 CYS H 1.0 . 4.90 314 258 A 16 ARG H A 16 ARG HDx 1.0 . 4.83 315 258 A 16 ARG H A 16 ARG HDy 1.0 . 4.83 316 259 A 14 PHE HD% A 15 ALA H 1.0 . 4.55 317 260 A 15 ALA H A 11 VAL HA 1.0 . 4.98 318 261 A 14 PHE H A 12 SER HBx 1.0 . 5.34 319 261 A 14 PHE H A 12 SER HBy 1.0 . 5.34 320 262 A 13 PHE H A 11 VAL HB 1.0 . 5.44 321 263 A 34 ILE HG2% A 13 PHE H 1.0 . 5.37 322 264 A 11 VAL H A 10 ILE HG2% 1.0 . 3.83 323 265 A 10 ILE H A 11 VAL HA 1.0 . 5.50 324 266 A 59 TRP HA A 59 TRP HE1 1.0 . 5.50 325 267 A 9 SER H A 13 PHE HBy 1.0 . 5.34 326 267 A 9 SER H A 13 PHE HBx 1.0 . 5.34 327 268 A 11 VAL H A 9 SER HBy 1.0 . 3.76 328 268 A 11 VAL H A 9 SER HBx 1.0 . 3.76 329 269 A 12 SER H A 11 VAL HGy% 1.0 . 3.23 330 269 A 12 SER H A 11 VAL HGx% 1.0 . 3.23 331 270 A 15 ALA H A 11 VAL HGy% 1.0 . 5.35 332 270 A 15 ALA H A 11 VAL HGx% 1.0 . 5.35 333 271 A 12 SER H A 13 PHE HBy 1.0 . 4.64 334 271 A 12 SER H A 13 PHE HBx 1.0 . 4.64 335 272 A 14 PHE H A 13 PHE HBy 1.0 . 3.28 336 272 A 14 PHE H A 13 PHE HBx 1.0 . 3.28 337 273 A 15 ALA H A 13 PHE HBy 1.0 . 5.32 338 273 A 15 ALA H A 13 PHE HBx 1.0 . 5.32 339 274 A 13 PHE HE% A 61 GLY HAx 1.0 . 3.26 340 274 A 13 PHE HE% A 61 GLY HAy 1.0 . 3.26 341 275 A 14 PHE H A 14 PHE HBy 1.0 . 2.79 342 275 A 14 PHE H A 14 PHE HBx 1.0 . 2.79 343 276 A 14 PHE H A 17 LEU HDx% 1.0 . 4.70 344 276 A 14 PHE H A 17 LEU HDy% 1.0 . 4.70 345 277 A 15 ALA H A 14 PHE HBy 1.0 . 3.33 346 277 A 15 ALA H A 14 PHE HBx 1.0 . 3.33 347 278 A 19 CYS H A 14 PHE HBy 1.0 . 4.05 348 278 A 19 CYS H A 14 PHE HBx 1.0 . 4.05 349 279 A 15 ALA H A 16 ARG HGx 1.0 . 5.21 350 279 A 15 ALA H A 16 ARG HGy 1.0 . 5.21 351 280 A 62 ILE H A 17 LEU HDx% 1.0 . 4.07 352 280 A 62 ILE H A 17 LEU HDy% 1.0 . 4.07 353 281 A 22 CYS H A 22 CYS HBy 1.0 . 3.05 354 281 A 22 CYS H A 22 CYS HBx 1.0 . 3.05 355 282 A 27 THR H A 25 TYR HBy 1.0 . 5.34 356 282 A 27 THR H A 25 TYR HBx 1.0 . 5.34 357 283 A 29 GLN H A 31 LEU HDx% 1.0 . 4.94 358 283 A 29 GLN H A 31 LEU HDy% 1.0 . 4.94 359 284 A 31 LEU H A 29 GLN HBx 1.0 . 3.18 360 284 A 31 LEU H A 29 GLN HBy 1.0 . 3.18 361 285 A 32 THR H A 29 GLN HBx 1.0 . 4.99 362 285 A 32 THR H A 29 GLN HBy 1.0 . 4.99 363 286 A 31 LEU H A 31 LEU HDx% 1.0 . 3.53 364 286 A 31 LEU H A 31 LEU HDy% 1.0 . 3.53 365 287 A 34 ILE H A 34 ILE HG1x 1.0 . 3.11 366 287 A 34 ILE H A 34 ILE HG1y 1.0 . 3.11 367 288 A 36 GLN H A 36 GLN HGy 1.0 . 2.82 368 288 A 36 GLN H A 36 GLN HGx 1.0 . 2.82 369 289 A 36 GLN H A 37 ILE HG1x 1.0 . 4.02 370 289 A 36 GLN H A 37 ILE HG1y 1.0 . 4.02 371 290 A 38 GLU H A 37 ILE HG1x 1.0 . 3.81 372 290 A 38 GLU H A 37 ILE HG1y 1.0 . 3.81 373 291 A 38 GLU H A 38 GLU HBx 1.0 . 3.14 374 291 A 38 GLU H A 38 GLU HBy 1.0 . 3.14 375 292 A 40 TYR H A 40 TYR HBy 1.0 . 2.90 376 292 A 40 TYR H A 40 TYR HBx 1.0 . 2.90 377 293 A 41 SER H A 40 TYR HBy 1.0 . 3.91 378 293 A 41 SER H A 40 TYR HBx 1.0 . 3.91 379 294 A 44 ASP H A 40 TYR HBy 1.0 . 5.30 380 294 A 44 ASP H A 40 TYR HBx 1.0 . 5.30 381 295 A 41 SER H A 44 ASP HBx 1.0 . 3.40 382 295 A 41 SER H A 44 ASP HBy 1.0 . 3.40 383 296 A 44 ASP H A 43 ASP HBy 1.0 . 3.53 384 296 A 44 ASP H A 43 ASP HBx 1.0 . 3.53 385 297 A 44 ASP H A 44 ASP HBx 1.0 . 2.90 386 297 A 44 ASP H A 44 ASP HBy 1.0 . 2.90 387 298 A 54 PHE H A 54 PHE HBy 1.0 . 3.03 388 298 A 54 PHE H A 54 PHE HBx 1.0 . 3.03 389 299 A 58 ILE H A 59 TRP HBx 1.0 . 4.91 390 299 A 58 ILE H A 59 TRP HBy 1.0 . 4.91 391 300 A 59 TRP HD1 A 58 ILE HG1x 1.0 . 3.91 392 300 A 59 TRP HD1 A 58 ILE HG1y 1.0 . 3.91 393 301 A 59 TRP HZ3 A 63 LEU HDx% 1.0 . 4.72 394 301 A 59 TRP HZ3 A 63 LEU HDy% 1.0 . 4.72 395 302 A 59 TRP HZ2 A 63 LEU HDx% 1.0 . 3.50 396 302 A 63 LEU HDy% A 59 TRP HZ2 1.0 . 3.50 397 303 A 61 GLY H A 60 LYS HBx 1.0 . 2.66 398 303 A 61 GLY H A 60 LYS HBy 1.0 . 2.66 399 304 A 61 GLY H A 64 ASP HBx 1.0 . 5.10 400 304 A 61 GLY H A 64 ASP HBy 1.0 . 5.10 401 305 A 64 ASP H A 61 GLY HAx 1.0 . 3.82 402 305 A 64 ASP H A 61 GLY HAy 1.0 . 3.82 403 306 A 62 ILE H A 65 HIS HBx 1.0 . 5.34 404 306 A 62 ILE H A 65 HIS HBy 1.0 . 5.34 405 307 A 64 ASP H A 64 ASP HBx 1.0 . 2.87 406 307 A 64 ASP H A 64 ASP HBy 1.0 . 2.87 407 308 A 65 HIS H A 64 ASP HBx 1.0 . 3.34 408 308 A 65 HIS H A 64 ASP HBy 1.0 . 3.34 409 309 A 66 ARG H A 65 HIS HBx 1.0 . 3.46 410 309 A 66 ARG H A 65 HIS HBy 1.0 . 3.46 411 310 A 67 GLN H A 65 HIS HBx 1.0 . 5.07 412 310 A 67 GLN H A 65 HIS HBy 1.0 . 5.07 413 311 A 70 ASP H A 69 HIS HBx 1.0 . 3.88 414 311 A 70 ASP H A 69 HIS HBy 1.0 . 3.88 415 312 A 10 ILE H A 11 VAL HGy% 1.0 . 4.55 416 312 A 10 ILE H A 11 VAL HGx% 1.0 . 4.55 417 313 A 11 VAL H A 11 VAL HGy% 1.0 . 2.64 418 313 A 11 VAL H A 11 VAL HGx% 1.0 . 2.64 419 314 A 12 SER H A 11 VAL HGy% 1.0 . 3.23 420 314 A 12 SER H A 11 VAL HGx% 1.0 . 3.23 421 315 A 13 PHE H A 11 VAL HGy% 1.0 . 4.22 422 315 A 13 PHE H A 11 VAL HGx% 1.0 . 4.22 423 316 A 13 PHE HD% A 17 LEU HDx% 1.0 . 4.74 424 316 A 13 PHE HD% A 17 LEU HDy% 1.0 . 4.74 425 317 A 13 PHE HE% A 61 GLY HAx 1.0 . 3.26 426 317 A 13 PHE HE% A 61 GLY HAy 1.0 . 3.26 427 318 A 13 PHE HE% A 65 HIS HBx 1.0 . 5.20 428 318 A 13 PHE HE% A 65 HIS HBy 1.0 . 5.20 429 319 A 14 PHE H A 14 PHE HBy 1.0 . 2.79 430 319 A 14 PHE H A 14 PHE HBx 1.0 . 2.79 431 320 A 14 PHE H A 17 LEU HDx% 1.0 . 4.70 432 320 A 14 PHE H A 17 LEU HDy% 1.0 . 4.70 433 321 A 15 ALA H A 14 PHE HBy 1.0 . 3.33 434 321 A 15 ALA H A 14 PHE HBx 1.0 . 3.33 435 322 A 16 ARG H A 14 PHE HBy 1.0 . 5.34 436 322 A 16 ARG H A 14 PHE HBx 1.0 . 5.34 437 323 A 19 CYS H A 14 PHE HBy 1.0 . 4.05 438 323 A 19 CYS H A 14 PHE HBx 1.0 . 4.05 439 324 A 23 LEU H A 14 PHE HBy 1.0 . 4.61 440 324 A 23 LEU H A 14 PHE HBx 1.0 . 4.61 441 325 A 14 PHE HD% A 17 LEU HDx% 1.0 . 4.26 442 325 A 14 PHE HD% A 17 LEU HDy% 1.0 . 4.26 443 326 A 17 LEU H A 17 LEU HDx% 1.0 . 3.43 444 326 A 17 LEU H A 17 LEU HDy% 1.0 . 3.43 445 327 A 19 CYS H A 17 LEU HDx% 1.0 . 5.14 446 327 A 19 CYS H A 17 LEU HDy% 1.0 . 5.14 447 328 A 61 GLY H A 17 LEU HDx% 1.0 . 4.28 448 328 A 61 GLY H A 17 LEU HDy% 1.0 . 4.28 449 329 A 25 TYR H A 25 TYR HBy 1.0 . 3.22 450 329 A 25 TYR H A 25 TYR HBx 1.0 . 3.22 451 330 A 26 PHE H A 25 TYR HBy 1.0 . 3.40 452 330 A 26 PHE H A 25 TYR HBx 1.0 . 3.40 453 331 A 26 PHE HD% A 25 TYR HBy 1.0 . 3.75 454 331 A 26 PHE HD% A 25 TYR HBx 1.0 . 3.75 455 332 A 27 THR H A 25 TYR HBy 1.0 . 5.34 456 332 A 27 THR H A 25 TYR HBx 1.0 . 5.34 457 333 A 29 GLN H A 29 GLN HBx 1.0 . 2.97 458 333 A 29 GLN H A 29 GLN HBy 1.0 . 2.97 459 334 A 29 GLN H A 31 LEU HDx% 1.0 . 4.94 460 334 A 29 GLN H A 31 LEU HDy% 1.0 . 4.94 461 335 A 30 GLY H A 29 GLN HBx 1.0 . 4.34 462 335 A 30 GLY H A 29 GLN HBy 1.0 . 4.34 463 336 A 31 LEU H A 29 GLN HBx 1.0 . 3.18 464 336 A 31 LEU H A 29 GLN HBy 1.0 . 3.18 465 337 A 30 GLY H A 31 LEU HDx% 1.0 . 4.46 466 337 A 30 GLY H A 31 LEU HDy% 1.0 . 4.46 467 338 A 32 THR H A 31 LEU HDx% 1.0 . 4.07 468 338 A 32 THR H A 31 LEU HDy% 1.0 . 4.07 469 339 A 33 THR H A 31 LEU HDx% 1.0 . 5.44 470 339 A 33 THR H A 31 LEU HDy% 1.0 . 5.44 471 340 A 33 THR H A 37 ILE HG1x 1.0 . 5.34 472 340 A 33 THR H A 37 ILE HG1y 1.0 . 5.34 473 341 A 36 GLN H A 37 ILE HG1x 1.0 . 4.02 474 341 A 36 GLN H A 37 ILE HG1y 1.0 . 4.02 475 342 A 37 ILE H A 37 ILE HG1x 1.0 . 3.17 476 342 A 37 ILE H A 37 ILE HG1y 1.0 . 3.17 477 343 A 38 GLU H A 37 ILE HG1x 1.0 . 3.81 478 343 A 38 GLU H A 37 ILE HG1y 1.0 . 3.81 479 344 A 40 TYR H A 40 TYR HBy 1.0 . 2.90 480 344 A 40 TYR H A 40 TYR HBx 1.0 . 2.90 481 345 A 41 SER H A 40 TYR HBy 1.0 . 3.91 482 345 A 41 SER H A 40 TYR HBx 1.0 . 3.91 483 346 A 44 ASP H A 40 TYR HBy 1.0 . 5.30 484 346 A 44 ASP H A 40 TYR HBx 1.0 . 5.30 485 347 A 40 TYR HE% A 48 LEU HDx% 1.0 . 4.08 486 347 A 40 TYR HE% A 48 LEU HDy% 1.0 . 4.08 487 348 A 50 ILE H A 48 LEU HDx% 1.0 . 5.44 488 348 A 50 ILE H A 48 LEU HDy% 1.0 . 5.44 489 349 A 58 ILE H A 59 TRP HBx 1.0 . 4.91 490 349 A 58 ILE H A 59 TRP HBy 1.0 . 4.91 491 350 A 59 TRP HE3 A 59 TRP HBx 1.0 . 3.49 492 350 A 59 TRP HE3 A 59 TRP HBy 1.0 . 3.49 493 351 A 60 LYS H A 59 TRP HBx 1.0 . 3.87 494 351 A 60 LYS H A 59 TRP HBy 1.0 . 3.87 495 352 A 59 TRP HE1 A 63 LEU HDx% 1.0 . 3.74 496 352 A 59 TRP HE1 A 63 LEU HDy% 1.0 . 3.74 497 353 A 59 TRP HZ3 A 63 LEU HDx% 1.0 . 4.72 498 353 A 59 TRP HZ3 A 63 LEU HDy% 1.0 . 4.72 499 354 A 59 TRP HZ2 A 63 LEU HDx% 1.0 . 3.50 500 354 A 63 LEU HDy% A 59 TRP HZ2 1.0 . 3.50 501 355 A 59 TRP HH2 A 63 LEU HDx% 1.0 . 4.53 502 355 A 59 TRP HH2 A 63 LEU HDy% 1.0 . 4.53 503 356 A 61 GLY H A 60 LYS HBx 1.0 . 2.66 504 356 A 61 GLY H A 60 LYS HBy 1.0 . 2.66 505 357 A 64 ASP H A 61 GLY HAx 1.0 . 3.82 506 357 A 64 ASP H A 61 GLY HAy 1.0 . 3.82 507 358 A 65 HIS H A 61 GLY HAx 1.0 . 4.78 508 358 A 65 HIS H A 61 GLY HAy 1.0 . 4.78 509 359 A 62 ILE H A 65 HIS HBx 1.0 . 5.34 510 359 A 62 ILE H A 65 HIS HBy 1.0 . 5.34 511 360 A 63 LEU H A 63 LEU HDx% 1.0 . 3.72 512 360 A 63 LEU H A 63 LEU HDy% 1.0 . 3.72 513 361 A 64 ASP H A 63 LEU HDx% 1.0 . 4.26 514 361 A 64 ASP H A 63 LEU HDy% 1.0 . 4.26 515 362 A 66 ARG H A 63 LEU HDx% 1.0 . 5.24 516 362 A 66 ARG H A 63 LEU HDy% 1.0 . 5.24 517 363 A 64 ASP H A 65 HIS HBx 1.0 . 4.24 518 363 A 64 ASP H A 65 HIS HBy 1.0 . 4.24 519 364 A 66 ARG H A 65 HIS HBx 1.0 . 3.46 520 364 A 66 ARG H A 65 HIS HBy 1.0 . 3.46 521 365 A 67 GLN H A 65 HIS HBx 1.0 . 5.07 522 365 A 67 GLN H A 65 HIS HBy 1.0 . 5.07 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _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 10 ILE O A 14 PHE N 1.0 . 3.1 2 2 A 14 PHE H A 10 ILE O 1.0 . 2.1 3 3 A 11 VAL O A 15 ALA N 1.0 . 3.1 4 4 A 15 ALA H A 11 VAL O 1.0 . 2.1 5 5 A 12 SER O A 16 ARG N 1.0 . 3.1 6 6 A 16 ARG H A 12 SER O 1.0 . 2.1 7 7 A 13 PHE O A 17 LEU N 1.0 . 3.1 8 8 A 17 LEU H A 13 PHE O 1.0 . 2.1 9 9 A 21 SER O A 25 TYR N 1.0 . 3.1 10 10 A 25 TYR H A 21 SER O 1.0 . 2.1 11 11 A 22 CYS O A 26 PHE N 1.0 . 3.1 12 12 A 26 PHE H A 22 CYS O 1.0 . 2.1 13 13 A 23 LEU O A 27 THR N 1.0 . 3.1 14 14 A 27 THR H A 23 LEU O 1.0 . 2.1 15 15 A 24 ASP O A 28 THR N 1.0 . 3.1 16 16 A 28 THR H A 24 ASP O 1.0 . 2.1 17 17 A 25 TYR O A 29 GLN N 1.0 . 3.1 18 18 A 29 GLN H A 25 TYR O 1.0 . 2.1 19 19 A 42 MET O A 46 ALA N 1.0 . 3.1 20 20 A 46 ALA H A 42 MET O 1.0 . 2.1 21 21 A 43 ASP O A 47 SER N 1.0 . 3.1 22 22 A 47 SER H A 43 ASP O 1.0 . 2.1 23 23 A 44 ASP O A 48 LEU N 1.0 . 3.1 24 24 A 48 LEU H A 44 ASP O 1.0 . 2.1 25 25 A 55 ARG O A 59 TRP N 1.0 . 3.1 26 26 A 59 TRP H A 55 ARG O 1.0 . 2.1 27 27 A 56 HIS O A 60 LYS N 1.0 . 3.1 28 28 A 60 LYS H A 56 HIS O 1.0 . 2.1 29 29 A 57 ALA O A 61 GLY N 1.0 . 3.1 30 30 A 61 GLY H A 57 ALA O 1.0 . 2.1 31 31 A 58 ILE O A 62 ILE N 1.0 . 3.1 32 32 A 62 ILE H A 58 ILE O 1.0 . 2.1 33 33 A 59 TRP O A 63 LEU N 1.0 . 3.1 34 34 A 63 LEU H A 59 TRP O 1.0 . 2.1 35 35 A 60 LYS O A 64 ASP N 1.0 . 3.1 36 36 A 64 ASP H A 60 LYS O 1.0 . 2.1 37 37 A 61 GLY O A 65 HIS N 1.0 . 3.1 38 38 A 65 HIS H A 61 GLY O 1.0 . 2.1 39 39 A 62 ILE O A 66 ARG N 1.0 . 3.1 40 40 A 66 ARG H A 62 ILE O 1.0 . 2.1 41 41 A 63 LEU O A 67 GLN N 1.0 . 3.1 42 42 A 67 GLN H A 63 LEU O 1.0 . 2.1 43 43 A 64 ASP O A 68 LEU N 1.0 . 3.1 44 44 A 68 LEU H A 64 ASP O 1.0 . 2.1 45 45 A 65 HIS O A 69 HIS N 1.0 . 3.1 46 46 A 69 HIS H A 65 HIS O 1.0 . 2.1 stop_ save_