data_nef_c25142_2msy save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2MSY 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 ALA start . . 2 A 2 ASN middle . . 3 A 3 TRP middle . . 4 A 4 ILE middle . . 5 A 5 HIS middle . . 6 A 6 ALA middle . . 7 A 7 ARG middle . . 8 A 8 SER middle . . 9 A 9 THR middle . . 10 A 10 ARG middle . . 11 A 11 LYS middle . . 12 A 12 LYS middle . . 13 A 13 ARG middle . . 14 A 14 CYS middle . . 15 A 15 PRO middle . false 16 A 16 TYR middle . . 17 A 17 THR middle . . 18 A 18 LYS middle . . 19 A 19 TYR middle . . 20 A 20 GLN middle . . 21 A 21 THR middle . . 22 A 22 LEU middle . . 23 A 23 GLU middle . . 24 A 24 LEU middle . . 25 A 25 GLU middle . . 26 A 26 LYS middle . . 27 A 27 GLU middle . . 28 A 28 PHE middle . . 29 A 29 LEU middle . . 30 A 30 PHE middle . . 31 A 31 ASN middle . . 32 A 32 MET middle . . 33 A 33 TYR middle . . 34 A 34 LEU middle . . 35 A 35 THR middle . . 36 A 36 ARG middle . . 37 A 37 ASP middle . . 38 A 38 ARG middle . . 39 A 39 ARG middle . . 40 A 40 TYR middle . . 41 A 41 GLU middle . . 42 A 42 VAL middle . . 43 A 43 ALA middle . . 44 A 44 ARG middle . . 45 A 45 VAL middle . . 46 A 46 LEU middle . . 47 A 47 ASN middle . . 48 A 48 LEU middle . . 49 A 49 THR middle . . 50 A 50 GLU middle . . 51 A 51 ARG middle . . 52 A 52 GLN middle . . 53 A 53 VAL middle . . 54 A 54 LYS middle . . 55 A 55 ILE middle . . 56 A 56 TRP middle . . 57 A 57 PHE middle . . 58 A 58 GLN middle . . 59 A 59 ASN middle . . 60 A 60 ARG middle . . 61 A 61 ARG middle . . 62 A 62 MET middle . . 63 A 63 LYS middle . . 64 A 64 MET middle . . 65 A 65 LYS middle . . 66 A 66 LYS middle . . 67 A 67 MET middle . . 68 A 68 ASN end . . 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 1 ALA HA H 1 4.132 0.000 A 1 ALA C C 13 176.549 0.000 A 1 ALA CA C 13 53.821 0.000 A 1 ALA CB C 13 19.533 0.000 A 1 ALA N N 15 126.251 0.000 A 2 ASN H H 1 7.926 0.000 A 2 ASN HA H 1 4.137 0.000 A 2 ASN HBx H 1 2.716 0.000 A 2 ASN C C 13 170.976 0.000 A 2 ASN CA C 13 53.812 0.000 A 2 ASN CB C 13 38.888 0.000 A 2 ASN N N 15 125.670 0.000 A 3 TRP H H 1 7.920 0.000 A 3 TRP HA H 1 4.762 0.000 A 3 TRP HBx H 1 3.223 0.000 A 3 TRP C C 13 176.062 0.000 A 3 TRP CA C 13 57.970 0.000 A 3 TRP CB C 13 29.629 0.000 A 3 TRP N N 15 122.562 0.000 A 4 ILE H H 1 7.893 0.000 A 4 ILE HA H 1 4.171 0.000 A 4 ILE HB H 1 1.666 0.000 A 4 ILE HG1x H 1 1.187 0.000 A 4 ILE HG2% H 1 0.683 0.000 A 4 ILE C C 13 175.825 0.000 A 4 ILE CA C 13 61.409 0.000 A 4 ILE CB C 13 38.645 0.000 A 4 ILE CG1 C 13 27.262 0.000 A 4 ILE CG2 C 13 17.285 0.000 A 4 ILE N N 15 122.339 0.000 A 5 HIS H H 1 8.015 0.000 A 5 HIS HA H 1 4.528 0.000 A 5 HIS HBy H 1 3.098 0.000 A 5 HIS HBx H 1 2.959 0.000 A 5 HIS C C 13 175.039 0.000 A 5 HIS CA C 13 56.069 0.000 A 5 HIS CB C 13 30.634 0.000 A 5 HIS N N 15 122.699 0.000 A 6 ALA H H 1 8.183 0.000 A 6 ALA HA H 1 4.268 0.000 A 6 ALA C C 13 177.735 0.000 A 6 ALA CA C 13 52.697 0.000 A 6 ALA CB C 13 19.253 0.000 A 6 ALA N N 15 125.335 0.000 A 7 ARG H H 1 8.399 0.000 A 7 ARG HA H 1 4.291 0.000 A 7 ARG HBx H 1 1.753 0.000 A 7 ARG HDx H 1 3.161 0.000 A 7 ARG C C 13 176.556 0.000 A 7 ARG CA C 13 56.226 0.000 A 7 ARG CB C 13 30.933 0.000 A 7 ARG N N 15 120.137 0.000 A 9 THR H H 1 8.081 0.000 A 9 THR HA H 1 4.311 0.000 A 9 THR HB H 1 4.220 0.000 A 9 THR HG2% H 1 1.156 0.000 A 9 THR C C 13 174.493 0.000 A 9 THR CA C 13 61.970 0.000 A 9 THR CB C 13 69.840 0.000 A 9 THR CG2 C 13 21.782 0.000 A 9 THR N N 15 115.696 0.000 A 10 ARG H H 1 8.275 0.000 A 10 ARG HA H 1 4.313 0.000 A 10 ARG HBx H 1 1.778 0.000 A 10 ARG HBy H 1 1.778 0.000 A 10 ARG HDx H 1 3.171 0.000 A 10 ARG HDy H 1 3.171 0.000 A 10 ARG HGx H 1 1.627 0.000 A 10 ARG HGy H 1 1.627 0.000 A 10 ARG C C 13 176.173 0.000 A 10 ARG CA C 13 56.227 0.000 A 10 ARG CB C 13 30.933 0.000 A 10 ARG CD C 13 43.475 0.000 A 10 ARG CG C 13 27.201 0.000 A 10 ARG N N 15 123.599 0.000 A 11 LYS H H 1 8.334 0.000 A 11 LYS HA H 1 4.298 0.000 A 11 LYS HBx H 1 1.748 0.000 A 11 LYS CA C 13 56.648 0.000 A 11 LYS CB C 13 33.181 0.000 A 11 LYS N N 15 123.132 0.000 A 12 LYS H H 1 8.357 0.000 A 12 LYS HA H 1 4.254 0.000 A 12 LYS HBx H 1 1.731 0.000 A 12 LYS HDx H 1 1.685 0.000 A 12 LYS HEx H 1 2.811 0.000 A 12 LYS HGx H 1 1.460 0.000 A 12 LYS C C 13 176.124 0.000 A 12 LYS CA C 13 56.631 0.000 A 12 LYS CB C 13 33.164 0.000 A 12 LYS CD C 13 29.230 0.000 A 12 LYS CE C 13 42.017 0.000 A 12 LYS CG C 13 24.874 0.000 A 12 LYS N N 15 123.229 0.000 A 13 ARG H H 1 8.439 0.000 A 13 ARG HA H 1 4.317 0.000 A 13 ARG HBx H 1 1.787 0.000 A 13 ARG HBy H 1 1.787 0.000 A 13 ARG HDx H 1 1.617 0.000 A 13 ARG HGx H 1 3.145 0.000 A 13 ARG C C 13 175.831 0.000 A 13 ARG CA C 13 56.210 0.000 A 13 ARG CB C 13 30.073 0.000 A 13 ARG CD C 13 27.121 0.000 A 13 ARG CG C 13 43.422 0.000 A 13 ARG N N 15 123.166 0.000 A 14 CYS H H 1 8.542 0.000 A 14 CYS HA H 1 4.614 0.000 A 14 CYS CA C 13 56.771 0.000 A 14 CYS N N 15 123.412 0.000 A 15 PRO HA H 1 4.333 0.000 A 15 PRO HBy H 1 2.154 0.000 A 15 PRO HBx H 1 1.630 0.000 A 15 PRO HDy H 1 3.807 0.000 A 15 PRO HDx H 1 3.747 0.000 A 15 PRO HGx H 1 1.946 0.000 A 15 PRO C C 13 175.713 0.000 A 15 PRO CA C 13 63.798 0.000 A 15 PRO CB C 13 32.040 0.000 A 15 PRO CD C 13 51.010 0.000 A 15 PRO CG C 13 26.700 0.000 A 16 TYR H H 1 7.539 0.000 A 16 TYR HA H 1 4.925 0.000 A 16 TYR HBx H 1 2.742 0.000 A 16 TYR HBy H 1 3.034 0.000 A 16 TYR HDx H 1 7.043 0.000 A 16 TYR HDy H 1 7.043 0.000 A 16 TYR HEx H 1 6.788 0.000 A 16 TYR HEy H 1 6.788 0.000 A 16 TYR C C 13 176.803 0.000 A 16 TYR CA C 13 56.583 0.000 A 16 TYR CB C 13 40.045 0.000 A 16 TYR N N 15 116.961 0.000 A 17 THR H H 1 9.305 0.000 A 17 THR HA H 1 4.469 0.000 A 17 THR HB H 1 4.845 0.000 A 17 THR HG2% H 1 1.373 0.000 A 17 THR C C 13 175.593 0.000 A 17 THR CA C 13 60.987 0.000 A 17 THR CB C 13 71.240 0.000 A 17 THR CG2 C 13 21.923 0.000 A 17 THR N N 15 115.107 0.000 A 18 LYS H H 1 8.990 0.000 A 18 LYS HA H 1 4.091 0.000 A 18 LYS HBx H 1 1.923 0.000 A 18 LYS HBy H 1 1.923 0.000 A 18 LYS HDx H 1 1.685 0.000 A 18 LYS HGx H 1 1.315 0.000 A 18 LYS C C 13 178.363 0.000 A 18 LYS CA C 13 60.004 0.000 A 18 LYS CB C 13 32.040 0.000 A 18 LYS CD C 13 29.229 0.000 A 18 LYS CG C 13 27.824 0.000 A 18 LYS N N 15 123.297 0.000 A 19 TYR H H 1 8.334 0.000 A 19 TYR HA H 1 4.171 0.000 A 19 TYR HBx H 1 2.789 0.000 A 19 TYR HBy H 1 3.242 0.000 A 19 TYR HDx H 1 7.067 0.000 A 19 TYR HDy H 1 7.067 0.000 A 19 TYR C C 13 176.959 0.000 A 19 TYR CA C 13 61.409 0.000 A 19 TYR CB C 13 38.802 0.000 A 19 TYR CDx C 13 133.334 0.000 A 19 TYR CEy C 13 118.469 0.000 A 19 TYR N N 15 118.372 0.000 A 20 GLN H H 1 7.771 0.000 A 20 GLN HA H 1 3.536 0.000 A 20 GLN HBy H 1 2.603 0.000 A 20 GLN HBx H 1 1.602 0.000 A 20 GLN HGx H 1 2.723 0.000 A 20 GLN HGy H 1 2.723 0.000 A 20 GLN C C 13 177.491 0.000 A 20 GLN CA C 13 59.301 0.000 A 20 GLN CB C 13 28.105 0.000 A 20 GLN CG C 13 34.991 0.000 A 20 GLN N N 15 116.238 0.000 A 21 THR H H 1 8.468 0.000 A 21 THR HA H 1 3.401 0.000 A 21 THR HB H 1 4.316 0.000 A 21 THR HG2% H 1 1.308 0.000 A 21 THR C C 13 175.530 0.000 A 21 THR CA C 13 67.451 0.000 A 21 THR CB C 13 68.856 0.000 A 21 THR CG2 C 13 22.344 0.000 A 21 THR N N 15 112.943 0.000 A 22 LEU H H 1 8.054 0.000 A 22 LEU HA H 1 3.979 0.000 A 22 LEU HBy H 1 1.875 0.000 A 22 LEU HBx H 1 1.492 0.000 A 22 LEU HDx% H 1 0.875 0.000 A 22 LEU HDy% H 1 0.869 0.000 A 22 LEU HG H 1 1.765 0.000 A 22 LEU C C 13 180.452 0.000 A 22 LEU CA C 13 58.036 0.000 A 22 LEU CB C 13 41.877 0.000 A 22 LEU CDx C 13 25.436 0.000 A 22 LEU CG C 13 27.122 0.000 A 22 LEU N N 15 121.513 0.000 A 23 GLU H H 1 7.732 0.000 A 23 GLU HA H 1 3.836 0.000 A 23 GLU HBy H 1 1.935 0.000 A 23 GLU HBx H 1 1.645 0.000 A 23 GLU HGx H 1 1.706 0.000 A 23 GLU HGy H 1 1.706 0.000 A 23 GLU C C 13 179.824 0.000 A 23 GLU CA C 13 58.598 0.000 A 23 GLU CB C 13 30.932 0.000 A 23 GLU CG C 13 35.834 0.000 A 23 GLU N N 15 118.464 0.000 A 24 LEU H H 1 8.335 0.000 A 24 LEU HA H 1 3.512 0.000 A 24 LEU HBy H 1 0.429 0.000 A 24 LEU HBx H 1 -1.030 0.000 A 24 LEU HDx% H 1 -0.558 0.000 A 24 LEU HDy% H 1 0.437 0.000 A 24 LEU HG H 1 1.087 0.000 A 24 LEU C C 13 177.592 0.000 A 24 LEU CA C 13 58.458 0.000 A 24 LEU CB C 13 37.520 0.000 A 24 LEU CDx C 13 23.187 0.000 A 24 LEU CDy C 13 23.187 0.000 A 24 LEU CG C 13 25.875 0.000 A 24 LEU N N 15 124.210 0.000 A 25 GLU H H 1 7.912 0.000 A 25 GLU HA H 1 4.247 0.000 A 25 GLU HBx H 1 1.977 0.000 A 25 GLU HBy H 1 2.160 0.000 A 25 GLU HGx H 1 2.358 0.000 A 25 GLU HGy H 1 2.454 0.000 A 25 GLU C C 13 179.021 0.000 A 25 GLU CA C 13 60.003 0.000 A 25 GLU CB C 13 28.668 0.000 A 25 GLU CG C 13 34.007 0.000 A 25 GLU N N 15 119.137 0.000 A 26 LYS H H 1 7.537 0.000 A 26 LYS HA H 1 3.917 0.000 A 26 LYS HBx H 1 1.869 0.000 A 26 LYS HBy H 1 1.869 0.000 A 26 LYS HDx H 1 1.346 0.000 A 26 LYS HDy H 1 1.346 0.000 A 26 LYS HEx H 1 2.887 0.000 A 26 LYS HGx H 1 1.603 0.000 A 26 LYS HGy H 1 1.603 0.000 A 26 LYS C C 13 179.351 0.000 A 26 LYS CA C 13 60.003 0.000 A 26 LYS CB C 13 32.602 0.000 A 26 LYS CD C 13 29.229 0.000 A 26 LYS CE C 13 42.017 0.000 A 26 LYS CG C 13 25.014 0.000 A 26 LYS N N 15 118.579 0.000 A 27 GLU H H 1 7.849 0.000 A 27 GLU HA H 1 4.145 0.000 A 27 GLU HBx H 1 2.373 0.000 A 27 GLU HGy H 1 2.275 0.000 A 27 GLU HGx H 1 2.223 0.000 A 27 GLU C C 13 178.189 0.000 A 27 GLU CA C 13 59.020 0.000 A 27 GLU CB C 13 28.527 0.000 A 27 GLU CG C 13 36.537 0.000 A 27 GLU N N 15 120.048 0.000 A 28 PHE H H 1 8.893 0.000 A 28 PHE HA H 1 4.358 0.000 A 28 PHE HBy H 1 3.204 0.000 A 28 PHE HBx H 1 2.944 0.000 A 28 PHE HDx H 1 7.568 0.000 A 28 PHE HDy H 1 7.568 0.000 A 28 PHE HEx H 1 7.226 0.000 A 28 PHE HEy H 1 7.226 0.000 A 28 PHE C C 13 176.148 0.000 A 28 PHE CA C 13 61.830 0.000 A 28 PHE CB C 13 39.347 0.000 A 28 PHE CDx C 13 132.561 0.000 A 28 PHE CEy C 13 131.425 0.000 A 28 PHE N N 15 122.074 0.000 A 29 LEU H H 1 7.919 0.000 A 29 LEU HA H 1 3.963 0.000 A 29 LEU HBx H 1 1.492 0.000 A 29 LEU HBy H 1 1.801 0.000 A 29 LEU HDx% H 1 0.945 0.000 A 29 LEU HDy% H 1 0.908 0.000 A 29 LEU HG H 1 1.946 0.000 A 29 LEU C C 13 179.362 0.000 A 29 LEU CA C 13 56.350 0.000 A 29 LEU CB C 13 41.756 0.000 A 29 LEU CDy C 13 25.155 0.000 A 29 LEU CDx C 13 22.766 0.000 A 29 LEU CG C 13 26.700 0.000 A 29 LEU N N 15 115.649 0.000 A 30 PHE H H 1 7.584 0.000 A 30 PHE HA H 1 4.445 0.000 A 30 PHE HBx H 1 3.285 0.000 A 30 PHE HDx H 1 7.324 0.000 A 30 PHE HDy H 1 7.324 0.000 A 30 PHE C C 13 176.451 0.000 A 30 PHE CA C 13 59.582 0.000 A 30 PHE CB C 13 39.628 0.000 A 30 PHE CDx C 13 131.954 0.000 A 30 PHE N N 15 119.314 0.000 A 31 ASN H H 1 8.375 0.000 A 31 ASN HA H 1 4.592 0.000 A 31 ASN HBx H 1 2.846 0.000 A 31 ASN HBy H 1 2.846 0.000 A 31 ASN HD2y H 1 8.087 0.000 A 31 ASN HD2x H 1 7.361 0.000 A 31 ASN C C 13 173.302 0.000 A 31 ASN CA C 13 53.961 0.000 A 31 ASN CB C 13 39.347 0.000 A 31 ASN N N 15 116.457 0.000 A 31 ASN ND2 N 15 115.725 0.000 A 32 MET H H 1 8.185 0.000 A 32 MET HA H 1 3.761 0.000 A 32 MET HBx H 1 1.388 0.000 A 32 MET HBy H 1 1.676 0.000 A 32 MET HGx H 1 1.976 0.000 A 32 MET C C 13 174.112 0.000 A 32 MET CA C 13 57.474 0.000 A 32 MET CB C 13 33.586 0.000 A 32 MET CG C 13 31.338 0.000 A 32 MET N N 15 121.247 0.000 A 33 TYR H H 1 7.758 0.000 A 33 TYR HA H 1 4.677 0.000 A 33 TYR HBx H 1 2.697 0.000 A 33 TYR HBy H 1 2.829 0.000 A 33 TYR HDx H 1 7.150 0.000 A 33 TYR HDy H 1 7.150 0.000 A 33 TYR C C 13 175.017 0.000 A 33 TYR CA C 13 57.193 0.000 A 33 TYR CB C 13 40.190 0.000 A 33 TYR CDy C 13 133.774 0.000 A 33 TYR CEy C 13 117.892 0.000 A 33 TYR N N 15 115.333 0.000 A 34 LEU H H 1 8.293 0.000 A 34 LEU HA H 1 4.592 0.000 A 34 LEU HBy H 1 1.472 0.000 A 34 LEU HBx H 1 1.223 0.000 A 34 LEU HDx% H 1 0.183 0.000 A 34 LEU HDy% H 1 0.512 0.000 A 34 LEU HG H 1 0.803 0.000 A 34 LEU C C 13 178.373 0.000 A 34 LEU CA C 13 53.961 0.000 A 34 LEU CB C 13 43.844 0.000 A 34 LEU CDy C 13 25.875 0.000 A 34 LEU CDx C 13 23.890 0.000 A 34 LEU CG C 13 26.559 0.000 A 34 LEU N N 15 122.393 0.000 A 35 THR H H 1 7.729 0.000 A 35 THR HA H 1 4.445 0.000 A 35 THR HB H 1 4.691 0.000 A 35 THR HG2% H 1 1.367 0.000 A 35 THR C C 13 175.115 0.000 A 35 THR CA C 13 59.582 0.000 A 35 THR CB C 13 70.823 0.000 A 35 THR CG2 C 13 22.204 0.000 A 35 THR N N 15 113.078 0.000 A 36 ARG H H 1 8.951 0.000 A 36 ARG HA H 1 3.829 0.000 A 36 ARG HBx H 1 1.810 0.000 A 36 ARG HBy H 1 1.977 0.000 A 36 ARG HDx H 1 3.186 0.000 A 36 ARG HGy H 1 1.592 0.000 A 36 ARG HGx H 1 1.472 0.000 A 36 ARG C C 13 178.596 0.000 A 36 ARG CA C 13 60.144 0.000 A 36 ARG CB C 13 29.089 0.000 A 36 ARG CD C 13 43.422 0.000 A 36 ARG CG C 13 27.122 0.000 A 36 ARG N N 15 122.118 0.000 A 37 ASP H H 1 8.454 0.000 A 37 ASP HA H 1 4.426 0.000 A 37 ASP HBy H 1 2.698 0.000 A 37 ASP HBx H 1 2.521 0.000 A 37 ASP C C 13 178.603 0.000 A 37 ASP CA C 13 57.755 0.000 A 37 ASP CB C 13 40.190 0.000 A 37 ASP N N 15 116.410 0.000 A 38 ARG H H 1 7.795 0.000 A 38 ARG HA H 1 4.217 0.000 A 38 ARG HBx H 1 1.825 0.000 A 38 ARG HBy H 1 1.929 0.000 A 38 ARG HDy H 1 3.413 0.000 A 38 ARG HDx H 1 3.102 0.000 A 38 ARG HGx H 1 1.588 0.000 A 38 ARG C C 13 177.751 0.000 A 38 ARG CA C 13 57.614 0.000 A 38 ARG CB C 13 29.932 0.000 A 38 ARG CD C 13 43.001 0.000 A 38 ARG CG C 13 26.776 0.000 A 38 ARG N N 15 121.073 0.000 A 39 ARG H H 1 8.650 0.000 A 39 ARG HA H 1 3.674 0.000 A 39 ARG HBy H 1 2.012 0.000 A 39 ARG HBx H 1 1.802 0.000 A 39 ARG HDy H 1 3.440 0.000 A 39 ARG HDx H 1 3.306 0.000 A 39 ARG HGx H 1 1.472 0.000 A 39 ARG HGy H 1 1.536 0.000 A 39 ARG C C 13 177.405 0.000 A 39 ARG CA C 13 60.285 0.000 A 39 ARG CB C 13 30.073 0.000 A 39 ARG CD C 13 43.844 0.000 A 39 ARG CG C 13 27.965 0.000 A 39 ARG N N 15 119.603 0.000 A 40 TYR H H 1 7.893 0.000 A 40 TYR HA H 1 4.071 0.000 A 40 TYR HBx H 1 3.182 0.000 A 40 TYR HBy H 1 3.182 0.000 A 40 TYR HDx H 1 7.266 0.000 A 40 TYR HDy H 1 7.266 0.000 A 40 TYR C C 13 177.632 0.000 A 40 TYR CA C 13 62.392 0.000 A 40 TYR CB C 13 37.801 0.000 A 40 TYR CDy C 13 133.622 0.000 A 40 TYR CEy C 13 118.277 0.000 A 40 TYR N N 15 116.995 0.000 A 41 GLU H H 1 7.687 0.000 A 41 GLU HA H 1 4.139 0.000 A 41 GLU HBy H 1 2.221 0.000 A 41 GLU HBx H 1 2.076 0.000 A 41 GLU HGx H 1 2.390 0.000 A 41 GLU HGy H 1 2.390 0.000 A 41 GLU C C 13 178.263 0.000 A 41 GLU CA C 13 58.036 0.000 A 41 GLU CB C 13 30.073 0.000 A 41 GLU CG C 13 35.272 0.000 A 41 GLU N N 15 120.324 0.000 A 42 VAL H H 1 8.675 0.000 A 42 VAL HA H 1 3.521 0.000 A 42 VAL HB H 1 1.869 0.000 A 42 VAL HGx% H 1 0.908 0.000 A 42 VAL HGy% H 1 0.789 0.000 A 42 VAL C C 13 177.248 0.000 A 42 VAL CA C 13 66.186 0.000 A 42 VAL CB C 13 32.602 0.000 A 42 VAL CGy C 13 22.765 0.000 A 42 VAL CGx C 13 22.203 0.000 A 42 VAL N N 15 120.030 0.000 A 43 ALA H H 1 8.026 0.000 A 43 ALA HA H 1 3.568 0.000 A 43 ALA HB% H 1 1.306 0.000 A 43 ALA C C 13 179.037 0.000 A 43 ALA CA C 13 56.069 0.000 A 43 ALA CB C 13 17.426 0.000 A 43 ALA N N 15 119.887 0.000 A 44 ARG H H 1 7.771 0.000 A 44 ARG HA H 1 4.001 0.000 A 44 ARG HBy H 1 1.932 0.000 A 44 ARG HBx H 1 1.747 0.000 A 44 ARG HDx H 1 3.013 0.000 A 44 ARG HDy H 1 3.307 0.000 A 44 ARG HGy H 1 1.584 0.000 A 44 ARG HGx H 1 1.436 0.000 A 44 ARG C C 13 180.290 0.000 A 44 ARG CA C 13 59.301 0.000 A 44 ARG CB C 13 30.073 0.000 A 44 ARG CD C 13 43.703 0.000 A 44 ARG CG C 13 27.129 0.000 A 44 ARG N N 15 116.238 0.000 A 45 VAL H H 1 8.250 0.000 A 45 VAL HA H 1 3.810 0.000 A 45 VAL HB H 1 2.153 0.000 A 45 VAL HGx% H 1 1.087 0.000 A 45 VAL HGy% H 1 0.992 0.000 A 45 VAL C C 13 177.986 0.000 A 45 VAL CA C 13 65.203 0.000 A 45 VAL CB C 13 32.602 0.000 A 45 VAL CGy C 13 22.485 0.000 A 45 VAL CGx C 13 21.220 0.000 A 45 VAL N N 15 118.391 0.000 A 46 LEU H H 1 7.896 0.000 A 46 LEU HA H 1 4.507 0.000 A 46 LEU HBy H 1 1.701 0.000 A 46 LEU HBx H 1 1.419 0.000 A 46 LEU HDx% H 1 0.646 0.000 A 46 LEU HDy% H 1 0.742 0.000 A 46 LEU C C 13 176.657 0.000 A 46 LEU CA C 13 54.664 0.000 A 46 LEU CB C 13 42.175 0.000 A 46 LEU CDy C 13 26.560 0.000 A 46 LEU CDx C 13 22.643 0.000 A 46 LEU N N 15 116.008 0.000 A 47 ASN H H 1 7.992 0.000 A 47 ASN HA H 1 4.441 0.000 A 47 ASN HBy H 1 3.246 0.000 A 47 ASN HBx H 1 2.806 0.000 A 47 ASN C C 13 173.788 0.000 A 47 ASN CA C 13 54.804 0.000 A 47 ASN CB C 13 36.818 0.000 A 47 ASN N N 15 117.881 0.000 A 47 ASN ND2 N 15 111.600 0.000 A 48 LEU H H 1 8.517 0.000 A 48 LEU HA H 1 4.877 0.000 A 48 LEU HBx H 1 1.259 0.000 A 48 LEU HBy H 1 1.694 0.000 A 48 LEU HDx% H 1 0.868 0.000 A 48 LEU HDy% H 1 0.710 0.000 A 48 LEU HG H 1 1.528 0.000 A 48 LEU C C 13 176.505 0.000 A 48 LEU CA C 13 52.832 0.000 A 48 LEU CB C 13 47.919 0.000 A 48 LEU CDy C 13 27.824 0.000 A 48 LEU CDx C 13 23.889 0.000 A 48 LEU CG C 13 26.700 0.000 A 48 LEU N N 15 119.211 0.000 A 49 THR H H 1 8.694 0.000 A 49 THR HA H 1 4.648 0.000 A 49 THR HB H 1 4.691 0.000 A 49 THR HG2% H 1 1.296 0.000 A 49 THR C C 13 176.663 0.000 A 49 THR CA C 13 60.566 0.000 A 49 THR CB C 13 70.824 0.000 A 49 THR CG2 C 13 21.782 0.000 A 49 THR N N 15 109.223 0.000 A 50 GLU H H 1 9.184 0.000 A 50 GLU HA H 1 3.653 0.000 A 50 GLU HBx H 1 1.935 0.000 A 50 GLU HBy H 1 1.935 0.000 A 50 GLU HGx H 1 2.286 0.000 A 50 GLU C C 13 178.500 0.000 A 50 GLU CA C 13 60.987 0.000 A 50 GLU CB C 13 29.932 0.000 A 50 GLU CG C 13 37.239 0.000 A 50 GLU N N 15 121.200 0.000 A 51 ARG H H 1 8.220 0.000 A 51 ARG HA H 1 4.003 0.000 A 51 ARG HBx H 1 1.748 0.000 A 51 ARG HBy H 1 1.748 0.000 A 51 ARG HDx H 1 3.186 0.000 A 51 ARG HGx H 1 1.618 0.000 A 51 ARG C C 13 177.979 0.000 A 51 ARG CA C 13 59.301 0.000 A 51 ARG CB C 13 30.073 0.000 A 51 ARG CD C 13 43.422 0.000 A 51 ARG CG C 13 27.121 0.000 A 51 ARG N N 15 119.168 0.000 A 52 GLN H H 1 8.029 0.000 A 52 GLN HA H 1 4.089 0.000 A 52 GLN HBx H 1 2.018 0.000 A 52 GLN HBy H 1 2.018 0.000 A 52 GLN HGy H 1 2.631 0.000 A 52 GLN HGx H 1 2.390 0.000 A 52 GLN C C 13 180.689 0.000 A 52 GLN CA C 13 59.863 0.000 A 52 GLN CB C 13 30.213 0.000 A 52 GLN CG C 13 35.272 0.000 A 52 GLN N N 15 117.548 0.000 A 53 VAL H H 1 8.004 0.000 A 53 VAL HA H 1 3.813 0.000 A 53 VAL HB H 1 2.153 0.000 A 53 VAL HGx% H 1 0.967 0.000 A 53 VAL HGy% H 1 0.908 0.000 A 53 VAL C C 13 176.662 0.000 A 53 VAL CA C 13 68.154 0.000 A 53 VAL CB C 13 32.602 0.000 A 53 VAL CGy C 13 23.749 0.000 A 53 VAL CGx C 13 22.766 0.000 A 53 VAL N N 15 121.408 0.000 A 54 LYS H H 1 8.527 0.000 A 54 LYS HA H 1 4.247 0.000 A 54 LYS HBx H 1 1.869 0.000 A 54 LYS HBy H 1 2.153 0.000 A 54 LYS HDx H 1 1.685 0.000 A 54 LYS HEx H 1 3.002 0.000 A 54 LYS HGy H 1 1.336 0.000 A 54 LYS HGx H 1 1.273 0.000 A 54 LYS C C 13 179.996 0.000 A 54 LYS CA C 13 60.004 0.000 A 54 LYS CB C 13 32.602 0.000 A 54 LYS CD C 13 29.230 0.000 A 54 LYS CE C 13 42.158 0.000 A 54 LYS CG C 13 24.733 0.000 A 54 LYS N N 15 121.266 0.000 A 55 ILE H H 1 8.748 0.000 A 55 ILE HA H 1 3.860 0.000 A 55 ILE HB H 1 1.953 0.000 A 55 ILE HD1% H 1 0.867 0.000 A 55 ILE HG1y H 1 1.685 0.000 A 55 ILE HG1x H 1 1.346 0.000 A 55 ILE HG2% H 1 1.023 0.000 A 55 ILE C C 13 177.548 0.000 A 55 ILE CA C 13 63.938 0.000 A 55 ILE CB C 13 38.223 0.000 A 55 ILE CD1 C 13 12.929 0.000 A 55 ILE CG1 C 13 29.230 0.000 A 55 ILE CG2 C 13 17.426 0.000 A 55 ILE N N 15 119.453 0.000 A 56 TRP H H 1 8.076 0.000 A 56 TRP HA H 1 3.907 0.000 A 56 TRP HBy H 1 3.485 0.000 A 56 TRP HBx H 1 3.252 0.000 A 56 TRP C C 13 180.094 0.000 A 56 TRP CA C 13 63.938 0.000 A 56 TRP CB C 13 29.370 0.000 A 56 TRP CD1 C 13 127.025 0.000 A 56 TRP CZ2 C 13 114.569 0.000 A 56 TRP CZ3 C 13 123.814 0.000 A 56 TRP N N 15 122.220 0.000 A 56 TRP NE1 N 15 128.878 0.000 A 57 PHE H H 1 8.859 0.000 A 57 PHE HA H 1 3.860 0.000 A 57 PHE HBx H 1 3.284 0.000 A 57 PHE HBy H 1 3.587 0.000 A 57 PHE HDx H 1 7.817 0.000 A 57 PHE HDy H 1 7.817 0.000 A 57 PHE C C 13 177.749 0.000 A 57 PHE CA C 13 63.938 0.000 A 57 PHE CB C 13 39.628 0.000 A 57 PHE N N 15 119.464 0.000 A 58 GLN H H 1 8.240 0.000 A 58 GLN HA H 1 4.003 0.000 A 58 GLN HBx H 1 2.160 0.000 A 58 GLN HBy H 1 2.292 0.000 A 58 GLN HGx H 1 2.548 0.000 A 58 GLN C C 13 178.888 0.000 A 58 GLN CA C 13 59.301 0.000 A 58 GLN CB C 13 28.667 0.000 A 58 GLN CG C 13 33.867 0.000 A 58 GLN N N 15 118.649 0.000 A 58 GLN NE2 N 15 111.332 0.000 A 59 ASN H H 1 8.320 0.000 A 59 ASN HA H 1 4.317 0.000 A 59 ASN HBy H 1 2.617 0.000 A 59 ASN HBx H 1 2.425 0.000 A 59 ASN HD2y H 1 7.407 0.000 A 59 ASN HD2x H 1 6.885 0.000 A 59 ASN C C 13 177.504 0.000 A 59 ASN CA C 13 56.210 0.000 A 59 ASN CB C 13 37.801 0.000 A 59 ASN N N 15 118.104 0.000 A 59 ASN ND2 N 15 112.749 0.000 A 60 ARG H H 1 8.113 0.000 A 60 ARG HA H 1 3.396 0.000 A 60 ARG HBy H 1 0.792 0.000 A 60 ARG HBx H 1 -0.237 0.000 A 60 ARG HDx H 1 1.597 0.000 A 60 ARG C C 13 179.229 0.000 A 60 ARG CA C 13 56.631 0.000 A 60 ARG CB C 13 28.387 0.000 A 60 ARG CG C 13 24.171 0.000 A 60 ARG N N 15 122.957 0.000 A 61 ARG H H 1 7.902 0.000 A 61 ARG HA H 1 4.089 0.000 A 61 ARG HBx H 1 1.851 0.000 A 61 ARG HBy H 1 1.851 0.000 A 61 ARG HDx H 1 3.186 0.000 A 61 ARG HGx H 1 1.617 0.000 A 61 ARG HGy H 1 1.617 0.000 A 61 ARG C C 13 178.883 0.000 A 61 ARG CA C 13 59.863 0.000 A 61 ARG CB C 13 30.915 0.000 A 61 ARG CD C 13 43.422 0.000 A 61 ARG CG C 13 27.122 0.000 A 61 ARG N N 15 117.860 0.000 A 62 MET H H 1 7.535 0.000 A 62 MET HA H 1 4.263 0.000 A 62 MET HBx H 1 2.043 0.000 A 62 MET HBy H 1 2.043 0.000 A 62 MET HGx H 1 2.630 0.000 A 62 MET HGy H 1 2.778 0.000 A 62 MET C C 13 177.644 0.000 A 62 MET CA C 13 57.474 0.000 A 62 MET CB C 13 30.494 0.000 A 62 MET CG C 13 32.180 0.000 A 62 MET N N 15 117.859 0.000 A 63 LYS H H 1 7.426 0.000 A 63 LYS HA H 1 4.132 0.000 A 63 LYS HBy H 1 1.801 0.000 A 63 LYS HBx H 1 1.671 0.000 A 63 LYS HDx H 1 1.685 0.000 A 63 LYS HEx H 1 3.002 0.000 A 63 LYS HGx H 1 1.411 0.000 A 63 LYS HGy H 1 1.411 0.000 A 63 LYS C C 13 177.090 0.000 A 63 LYS CA C 13 57.615 0.000 A 63 LYS CB C 13 33.024 0.000 A 63 LYS CD C 13 29.230 0.000 A 63 LYS CE C 13 42.157 0.000 A 63 LYS CG C 13 24.873 0.000 A 63 LYS N N 15 118.415 0.000 A 64 MET H H 1 7.538 0.000 A 64 MET HA H 1 4.271 0.000 A 64 MET HBx H 1 2.160 0.000 A 64 MET HGx H 1 2.740 0.000 A 64 MET C C 13 176.223 0.000 A 64 MET CA C 13 57.632 0.000 A 64 MET CG C 13 31.899 0.000 A 64 MET N N 15 117.987 0.000 A 65 LYS H H 1 7.930 0.000 A 65 LYS HA H 1 4.299 0.000 A 65 LYS HBx H 1 1.801 0.000 A 65 LYS HBy H 1 1.801 0.000 A 65 LYS HDx H 1 1.685 0.000 A 65 LYS HEx H 1 2.747 0.000 A 65 LYS HGx H 1 1.459 0.000 A 65 LYS C C 13 175.950 0.000 A 65 LYS CA C 13 57.632 0.000 A 65 LYS CB C 13 33.024 0.000 A 65 LYS CD C 13 29.230 0.000 A 65 LYS CE C 13 38.925 0.000 A 65 LYS CG C 13 24.873 0.000 A 65 LYS N N 15 120.643 0.000 A 66 LYS H H 1 8.172 0.000 A 66 LYS HA H 1 4.271 0.000 A 66 LYS HBx H 1 1.792 0.000 A 66 LYS HBy H 1 1.792 0.000 A 66 LYS HGx H 1 1.445 0.000 A 66 LYS HGy H 1 1.445 0.000 A 66 LYS C C 13 176.302 0.000 A 66 LYS CA C 13 57.491 0.000 A 66 LYS CB C 13 32.620 0.000 A 66 LYS CG C 13 24.891 0.000 A 66 LYS N N 15 122.089 0.000 A 67 MET H H 1 8.056 0.000 A 67 MET HA H 1 4.765 0.000 A 67 MET C C 13 175.047 0.000 A 67 MET N N 15 119.918 0.000 A 68 ASN H H 1 8.382 0.000 A 68 ASN C C 13 179.337 0.000 A 68 ASN N N 15 122.034 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _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 21 THR H A 21 THR HB 1.0 1.8 2.85 2 2 A 21 THR HB A 18 LYS HA 1.0 1.8 4.70 3 3 A 53 VAL HA A 54 LYS HA 1.0 1.8 4.83 4 4 A 53 VAL HA A 52 GLN HA 1.0 1.8 5.06 5 5 A 21 THR HA A 24 LEU H 1.0 1.8 3.61 6 6 A 21 THR HA A 21 THR HG2% 1.0 1.8 3.27 7 7 A 42 VAL HA A 45 VAL HB 1.0 1.8 5.50 8 8 A 42 VAL HA A 23 GLU HBx 1.0 1.8 4.34 9 9 A 55 ILE HA A 58 GLN H 1.0 1.8 4.03 10 10 A 57 PHE HA A 58 GLN HA 1.0 1.8 4.87 11 11 A 57 PHE HA A 60 ARG H 1.0 1.8 4.28 12 12 A 19 TYR HA A 19 TYR HD% 1.0 1.8 2.84 13 13 A 19 TYR HA A 22 LEU HBy 1.0 1.8 5.04 14 14 A 19 TYR HA A 22 LEU HBx 1.0 1.8 4.85 15 15 A 19 TYR HA A 22 LEU HG 1.0 1.8 4.85 16 16 A 50 GLU H A 50 GLU HA 1.0 1.8 2.89 17 17 A 50 GLU HA A 43 ALA HB% 1.0 1.8 5.31 18 18 A 50 GLU HA A 39 ARG HBy 1.0 1.8 5.49 19 19 A 50 GLU HA A 52 GLN HBx 1.0 1.8 5.50 20 19 A 50 GLU HA A 52 GLN HBy 1.0 1.8 5.50 21 20 A 17 THR HA A 17 THR HG2% 1.0 1.8 3.85 22 21 A 39 ARG H A 39 ARG HA 1.0 1.8 2.86 23 22 A 52 GLN HA A 51 ARG HBx 1.0 1.8 4.14 24 22 A 52 GLN HA A 51 ARG HBy 1.0 1.8 4.14 25 23 A 52 GLN HA A 55 ILE HB 1.0 1.8 3.51 26 24 A 18 LYS HA A 21 THR HG2% 1.0 1.8 3.71 27 25 A 52 GLN HA A 52 GLN H 1.0 1.8 2.82 28 26 A 51 ARG HA A 54 LYS H 1.0 1.8 3.82 29 27 A 20 GLN HA A 20 GLN HGx 1.0 1.8 3.79 30 27 A 20 GLN HA A 20 GLN HGy 1.0 1.8 3.79 31 28 A 20 GLN HA A 46 LEU HDx% 1.0 1.8 3.86 32 29 A 44 ARG H A 44 ARG HA 1.0 1.8 2.91 33 30 A 43 ALA HB% A 44 ARG HA 1.0 1.8 4.41 34 31 A 51 ARG HA A 55 ILE HG1x 1.0 1.8 4.67 35 32 A 27 GLU HA A 29 LEU HG 1.0 1.8 4.37 36 33 A 27 GLU HA A 29 LEU HDx% 1.0 1.8 5.38 37 34 A 27 GLU HA A 29 LEU HDy% 1.0 1.8 5.38 38 35 A 22 LEU HBy A 23 GLU HA 1.0 1.8 5.50 39 36 A 23 GLU HA A 42 VAL HB 1.0 1.8 5.50 40 37 A 24 LEU HA A 24 LEU HDy% 1.0 1.8 5.01 41 38 A 22 LEU H A 22 LEU HA 1.0 1.8 2.85 42 39 A 22 LEU HA A 22 LEU HDx% 1.0 1.8 5.50 43 40 A 22 LEU HA A 22 LEU HDy% 1.0 1.8 5.50 44 41 A 62 MET HA A 62 MET HGy 1.0 1.8 4.17 45 42 A 38 ARG HA A 38 ARG HDy 1.0 1.8 3.62 46 43 A 38 ARG HA A 38 ARG HDx 1.0 1.8 3.62 47 44 A 62 MET HA A 62 MET HGx 1.0 1.8 4.17 48 45 A 38 ARG HA A 41 GLU H 1.0 1.8 3.86 49 46 A 38 ARG HA A 41 GLU HGx 1.0 1.8 3.68 50 46 A 38 ARG HA A 41 GLU HGy 1.0 1.8 3.68 51 47 A 38 ARG HA A 41 GLU HBx 1.0 1.8 4.51 52 48 A 38 ARG HA A 42 VAL HGx% 1.0 1.8 3.68 53 49 A 63 LYS H A 63 LYS HA 1.0 1.8 2.85 54 50 A 60 ARG H A 60 ARG HA 1.0 1.8 2.86 55 51 A 60 ARG HA A 59 ASN HBx 1.0 1.8 4.26 56 52 A 10 ARG HA A 10 ARG HGx 1.0 1.8 4.09 57 52 A 10 ARG HA A 10 ARG HGy 1.0 1.8 4.09 58 53 A 10 ARG HA A 11 LYS H 1.0 1.8 3.06 59 54 A 13 ARG HA A 14 CYS HA 1.0 1.8 4.76 60 55 A 43 ALA HA A 48 LEU HDy% 1.0 1.8 5.39 61 56 A 47 ASN HA A 48 LEU H 1.0 1.8 2.85 62 57 A 47 ASN HA A 47 ASN H 1.0 1.8 2.40 63 58 A 15 PRO HDy A 16 TYR H 1.0 1.8 3.16 64 59 A 15 PRO HDx A 13 ARG HBx 1.0 1.8 5.28 65 59 A 13 ARG HBy A 15 PRO HDx 1.0 1.8 5.28 66 60 A 48 LEU HDx% A 48 LEU HBy 1.0 1.8 3.81 67 61 A 48 LEU HDx% A 48 LEU HBx 1.0 1.8 3.81 68 62 A 42 VAL HGx% A 38 ARG HDy 1.0 1.8 4.25 69 63 A 42 VAL HGx% A 38 ARG HDx 1.0 1.8 4.25 70 64 A 23 GLU HBx A 46 LEU HBy 1.0 1.8 5.50 71 65 A 46 LEU H A 46 LEU HBy 1.0 1.8 3.80 72 66 A 23 GLU HBx A 46 LEU HBx 1.0 1.8 5.50 73 67 A 22 LEU HBx A 23 GLU H 1.0 1.8 3.63 74 68 A 22 LEU HBy A 22 LEU H 1.0 1.8 3.48 75 69 A 22 LEU HBy A 22 LEU HDx% 1.0 1.8 4.21 76 70 A 22 LEU HBy A 22 LEU HDy% 1.0 1.8 4.21 77 71 A 29 LEU HBy A 29 LEU HDy% 1.0 1.8 4.13 78 72 A 22 LEU HBx A 22 LEU H 1.0 1.8 2.81 79 73 A 29 LEU HBx A 29 LEU HDy% 1.0 1.8 4.13 80 74 A 16 TYR H A 16 TYR HBy 1.0 1.8 3.61 81 75 A 16 TYR H A 16 TYR HBx 1.0 1.8 3.61 82 76 A 41 GLU HGy A 37 ASP HBy 1.0 1.8 5.50 83 76 A 37 ASP HBy A 41 GLU HGx 1.0 1.8 5.50 84 77 A 57 PHE H A 57 PHE HBy 1.0 1.8 3.83 85 78 A 57 PHE H A 57 PHE HBx 1.0 1.8 3.83 86 79 A 28 PHE H A 28 PHE HBx 1.0 1.8 3.54 87 80 A 19 TYR H A 19 TYR HBy 1.0 1.8 3.20 88 81 A 19 TYR H A 19 TYR HBx 1.0 1.8 2.62 89 82 A 19 TYR HBx A 20 GLN H 1.0 1.8 3.50 90 83 A 19 TYR HBy A 20 GLN H 1.0 1.8 3.02 91 84 A 55 ILE HB A 55 ILE H 1.0 1.8 3.12 92 85 A 55 ILE HB A 56 TRP H 1.0 1.8 3.03 93 86 A 55 ILE HB A 51 ARG HBx 1.0 1.8 4.57 94 86 A 51 ARG HBy A 55 ILE HB 1.0 1.8 4.57 95 87 A 41 GLU H A 40 TYR HBx 1.0 1.8 3.72 96 87 A 41 GLU H A 40 TYR HBy 1.0 1.8 3.72 97 88 A 59 ASN HBx A 59 ASN H 1.0 1.8 3.66 98 89 A 59 ASN H A 59 ASN HBy 1.0 1.8 2.76 99 90 A 60 ARG H A 59 ASN HBy 1.0 1.8 2.98 100 91 A 59 ASN HBy A 59 ASN HD2y 1.0 1.8 2.48 101 92 A 59 ASN HBy A 59 ASN HD2x 1.0 1.8 3.62 102 93 A 59 ASN HBy A 56 TRP HA 1.0 1.8 4.01 103 94 A 23 GLU H A 23 GLU HGx 1.0 1.8 2.85 104 94 A 23 GLU H A 23 GLU HGy 1.0 1.8 2.85 105 95 A 23 GLU HA A 23 GLU HGx 1.0 1.8 3.83 106 95 A 23 GLU HA A 23 GLU HGy 1.0 1.8 3.83 107 96 A 42 VAL HA A 41 GLU HGx 1.0 1.8 5.31 108 96 A 42 VAL HA A 41 GLU HGy 1.0 1.8 5.31 109 97 A 41 GLU HGy A 37 ASP HBx 1.0 1.8 5.50 110 97 A 37 ASP HBx A 41 GLU HGx 1.0 1.8 5.50 111 98 A 42 VAL H A 41 GLU HGx 1.0 1.8 2.61 112 98 A 41 GLU HGy A 42 VAL H 1.0 1.8 2.61 113 99 A 41 GLU H A 41 GLU HGx 1.0 1.8 2.76 114 99 A 41 GLU H A 41 GLU HGy 1.0 1.8 2.76 115 100 A 20 GLN H A 20 GLN HGx 1.0 1.8 3.06 116 100 A 20 GLN HGy A 20 GLN H 1.0 1.8 3.06 117 101 A 62 MET HBy A 65 LYS HBx 1.0 1.8 3.91 118 101 A 62 MET HBx A 65 LYS HBx 1.0 1.8 3.91 119 101 A 65 LYS HBy A 62 MET HBx 1.0 1.8 3.91 120 101 A 62 MET HBy A 65 LYS HBy 1.0 1.8 3.91 121 102 A 65 LYS HBy A 62 MET HGx 1.0 1.8 5.50 122 102 A 62 MET HGx A 65 LYS HBx 1.0 1.8 5.50 123 103 A 62 MET HA A 65 LYS HBx 1.0 1.8 3.05 124 103 A 62 MET HA A 65 LYS HBy 1.0 1.8 3.05 125 104 A 65 LYS HBy A 62 MET HGy 1.0 1.8 5.50 126 104 A 62 MET HGy A 65 LYS HBx 1.0 1.8 5.50 127 105 A 42 VAL HB A 23 GLU HBy 1.0 1.8 4.47 128 106 A 65 LYS H A 65 LYS HBx 1.0 1.8 2.77 129 106 A 65 LYS HBy A 65 LYS H 1.0 1.8 2.77 130 107 A 42 VAL HB A 41 GLU HGx 1.0 1.8 5.45 131 107 A 42 VAL HB A 41 GLU HGy 1.0 1.8 5.45 132 108 A 27 GLU H A 26 LYS HBx 1.0 1.8 3.00 133 108 A 26 LYS HBy A 27 GLU H 1.0 1.8 3.00 134 109 A 26 LYS H A 26 LYS HBx 1.0 1.8 2.49 135 109 A 26 LYS HBy A 26 LYS H 1.0 1.8 2.49 136 110 A 62 MET H A 62 MET HGy 1.0 1.8 2.75 137 111 A 58 GLN HBy A 62 MET HGy 1.0 1.8 5.50 138 112 A 58 GLN HBy A 62 MET HGx 1.0 1.8 5.50 139 113 A 62 MET H A 62 MET HGx 1.0 1.8 2.75 140 114 A 22 LEU HG A 23 GLU HBy 1.0 1.8 4.14 141 115 A 10 ARG HBy A 10 ARG HDx 1.0 1.8 3.64 142 115 A 10 ARG HBx A 10 ARG HDx 1.0 1.8 3.64 143 115 A 10 ARG HDy A 10 ARG HBx 1.0 1.8 3.64 144 115 A 10 ARG HBy A 10 ARG HDy 1.0 1.8 3.64 145 116 A 39 ARG HBy A 36 ARG HA 1.0 1.8 4.27 146 117 A 52 GLN H A 50 GLU HBx 1.0 1.8 5.06 147 117 A 52 GLN H A 50 GLU HBy 1.0 1.8 5.06 148 118 A 44 ARG H A 44 ARG HBy 1.0 1.8 3.50 149 119 A 50 GLU HA A 39 ARG HBx 1.0 1.8 4.23 150 120 A 44 ARG H A 44 ARG HBx 1.0 1.8 3.50 151 121 A 41 GLU H A 41 GLU HBy 1.0 1.8 3.64 152 122 A 41 GLU H A 41 GLU HBx 1.0 1.8 3.81 153 123 A 53 VAL HB A 52 GLN HBx 1.0 1.8 5.42 154 123 A 52 GLN HBy A 53 VAL HB 1.0 1.8 5.42 155 124 A 39 ARG HBy A 40 TYR H 1.0 1.8 3.06 156 125 A 51 ARG H A 50 GLU HBx 1.0 1.8 2.70 157 125 A 50 GLU HBy A 51 ARG H 1.0 1.8 2.70 158 126 A 37 ASP H A 36 ARG HBx 1.0 1.8 3.73 159 127 A 37 ASP H A 36 ARG HBy 1.0 1.8 3.73 160 128 A 56 TRP H A 56 TRP HBy 1.0 1.8 3.55 161 129 A 56 TRP H A 56 TRP HBx 1.0 1.8 3.55 162 130 A 55 ILE HG1x A 55 ILE H 1.0 1.8 2.52 163 131 A 55 ILE HG1x A 51 ARG HBx 1.0 1.8 5.23 164 131 A 51 ARG HBy A 55 ILE HG1x 1.0 1.8 5.23 165 132 A 25 GLU H A 25 GLU HBy 1.0 1.8 3.00 166 133 A 26 LYS H A 25 GLU HBy 1.0 1.8 4.16 167 134 A 26 LYS H A 25 GLU HBx 1.0 1.8 4.13 168 135 A 55 ILE HA A 58 GLN HBx 1.0 1.8 3.70 169 136 A 59 ASN H A 58 GLN HBy 1.0 1.8 3.22 170 137 A 55 ILE HA A 58 GLN HBy 1.0 1.8 4.11 171 138 A 48 LEU HDx% A 42 VAL HGy% 1.0 1.8 4.97 172 139 A 22 LEU HG A 22 LEU H 1.0 1.8 3.87 173 140 A 29 LEU HG A 29 LEU H 1.0 1.8 3.57 174 141 A 29 LEU HG A 29 LEU HA 1.0 1.8 4.20 175 142 A 48 LEU HG A 46 LEU HBx 1.0 1.8 3.86 176 143 A 48 LEU HG A 46 LEU HBy 1.0 1.8 3.86 177 144 A 45 VAL HGy% A 46 LEU HDx% 1.0 1.8 4.61 178 145 A 46 LEU HDx% A 24 LEU HDx% 1.0 1.8 5.46 179 146 A 46 LEU H A 46 LEU HDx% 1.0 1.8 4.24 180 147 A 23 GLU HBx A 46 LEU HDx% 1.0 1.8 5.12 181 148 A 24 LEU H A 24 LEU HG 1.0 1.8 4.40 182 149 A 34 LEU HA A 34 LEU HDx% 1.0 1.8 3.94 183 150 A 34 LEU HDx% A 38 ARG HBy 1.0 1.8 5.57 184 151 A 34 LEU HDx% A 38 ARG HBx 1.0 1.8 5.57 185 152 A 29 LEU HDx% A 34 LEU HDx% 1.0 1.8 5.50 186 153 A 29 LEU HDx% A 29 LEU HBx 1.0 1.8 4.13 187 154 A 29 LEU H A 29 LEU HDx% 1.0 1.8 3.80 188 155 A 29 LEU HA A 29 LEU HDx% 1.0 1.8 4.93 189 156 A 29 LEU HDx% A 29 LEU HBy 1.0 1.8 4.13 190 157 A 25 GLU HA A 26 LYS HGx 1.0 1.8 5.50 191 157 A 25 GLU HA A 26 LYS HGy 1.0 1.8 5.50 192 158 A 25 GLU HBy A 26 LYS HGx 1.0 1.8 5.50 193 158 A 25 GLU HBy A 26 LYS HGy 1.0 1.8 5.50 194 159 A 26 LYS H A 26 LYS HGx 1.0 1.8 2.91 195 159 A 26 LYS H A 26 LYS HGy 1.0 1.8 2.91 196 160 A 64 MET HBx A 63 LYS HGx 1.0 1.8 5.42 197 160 A 63 LYS HGy A 64 MET HBx 1.0 1.8 5.42 198 161 A 64 MET H A 63 LYS HGx 1.0 1.8 3.28 199 161 A 63 LYS HGy A 64 MET H 1.0 1.8 3.28 200 162 A 63 LYS H A 63 LYS HGx 1.0 1.8 2.74 201 162 A 63 LYS H A 63 LYS HGy 1.0 1.8 2.74 202 163 A 35 THR H A 34 LEU HDy% 1.0 1.8 4.00 203 164 A 34 LEU HA A 34 LEU HDy% 1.0 1.8 3.94 204 165 A 34 LEU HDy% A 38 ARG HBx 1.0 1.8 5.57 205 166 A 29 LEU HDx% A 34 LEU HDy% 1.0 1.8 5.50 206 167 A 54 LYS H A 53 VAL HGx% 1.0 1.8 3.79 207 168 A 46 LEU HDx% A 24 LEU HDy% 1.0 1.8 5.46 208 169 A 24 LEU HA A 24 LEU HDx% 1.0 1.8 5.01 209 170 A 42 VAL HGx% A 42 VAL H 1.0 1.8 3.39 210 171 A 29 LEU H A 29 LEU HDy% 1.0 1.8 3.80 211 172 A 29 LEU HA A 29 LEU HDy% 1.0 1.8 4.93 212 173 A 42 VAL HGx% A 40 TYR HBx 1.0 1.8 5.50 213 173 A 42 VAL HGx% A 40 TYR HBy 1.0 1.8 5.50 214 174 A 42 VAL HGx% A 41 GLU HGx 1.0 1.8 4.93 215 174 A 41 GLU HGy A 42 VAL HGx% 1.0 1.8 4.93 216 175 A 41 GLU HBx A 42 VAL HGx% 1.0 1.8 4.93 217 176 A 29 LEU HDy% A 34 LEU HDy% 1.0 1.8 5.50 218 177 A 42 VAL HGx% A 34 LEU HDy% 1.0 1.8 5.50 219 178 A 39 ARG HA A 42 VAL HGx% 1.0 1.8 5.34 220 179 A 42 VAL HGx% A 41 GLU HBy 1.0 1.8 5.04 221 180 A 34 LEU HDx% A 29 LEU HDy% 1.0 1.8 5.50 222 181 A 42 VAL HGx% A 34 LEU HDx% 1.0 1.8 5.50 223 182 A 20 GLN HA A 46 LEU HDy% 1.0 1.8 3.86 224 183 A 45 VAL HGy% A 46 LEU HDy% 1.0 1.8 4.61 225 184 A 24 LEU HDy% A 46 LEU HDy% 1.0 1.8 5.46 226 185 A 54 LYS H A 53 VAL HGy% 1.0 1.8 3.79 227 186 A 46 LEU H A 46 LEU HDy% 1.0 1.8 4.24 228 187 A 23 GLU HBx A 46 LEU HDy% 1.0 1.8 5.12 229 188 A 44 ARG H A 45 VAL HGx% 1.0 1.8 3.75 230 189 A 42 VAL HA A 45 VAL HGx% 1.0 1.8 3.71 231 190 A 45 VAL HGx% A 23 GLU HGx 1.0 1.8 4.14 232 190 A 23 GLU HGy A 45 VAL HGx% 1.0 1.8 4.14 233 191 A 42 VAL HGy% A 45 VAL HGy% 1.0 1.8 4.63 234 192 A 24 LEU HDx% A 46 LEU HDy% 1.0 1.8 5.46 235 193 A 21 THR H A 21 THR HG2% 1.0 1.8 2.40 236 194 A 21 THR HG2% A 22 LEU H 1.0 1.8 2.40 237 195 A 21 THR HG2% A 16 TYR HD% 1.0 1.8 4.50 238 196 A 21 THR HG2% A 22 LEU HA 1.0 1.8 3.78 239 197 A 21 THR HG2% A 18 LYS HBx 1.0 1.8 3.78 240 197 A 21 THR HG2% A 18 LYS HBy 1.0 1.8 3.78 241 198 A 43 ALA HB% A 45 VAL HGx% 1.0 1.8 5.50 242 199 A 45 VAL HGx% A 45 VAL H 1.0 1.8 3.31 243 200 A 45 VAL HGx% A 45 VAL HA 1.0 1.8 3.50 244 201 A 45 VAL HGx% A 41 GLU HGx 1.0 1.8 4.72 245 201 A 41 GLU HGy A 45 VAL HGx% 1.0 1.8 4.72 246 202 A 35 THR HG2% A 36 ARG HBx 1.0 1.8 5.44 247 203 A 37 ASP H A 35 THR HG2% 1.0 1.8 3.13 248 204 A 35 THR H A 35 THR HG2% 1.0 1.8 2.40 249 205 A 35 THR HG2% A 37 ASP HA 1.0 1.8 4.41 250 206 A 42 VAL HGy% A 23 GLU HGx 1.0 1.8 5.16 251 206 A 23 GLU HGy A 42 VAL HGy% 1.0 1.8 5.16 252 207 A 35 THR HG2% A 36 ARG HBy 1.0 1.8 5.44 253 208 A 42 VAL HGy% A 41 GLU HGx 1.0 1.8 3.72 254 208 A 41 GLU HGy A 42 VAL HGy% 1.0 1.8 3.72 255 209 A 42 VAL H A 42 VAL HGy% 1.0 1.8 2.70 256 210 A 42 VAL HA A 42 VAL HGy% 1.0 1.8 3.83 257 211 A 23 GLU HBx A 42 VAL HGy% 1.0 1.8 4.81 258 212 A 17 THR HG2% A 20 GLN HGx 1.0 1.8 5.45 259 212 A 17 THR HG2% A 20 GLN HGy 1.0 1.8 5.45 260 213 A 17 THR HG2% A 18 LYS HBx 1.0 1.8 5.44 261 213 A 17 THR HG2% A 18 LYS HBy 1.0 1.8 5.44 262 214 A 17 THR HG2% A 20 GLN HBx 1.0 1.8 5.44 263 215 A 49 THR HG2% A 52 GLN HBx 1.0 1.8 4.65 264 215 A 52 GLN HBy A 49 THR HG2% 1.0 1.8 4.65 265 216 A 49 THR HG2% A 50 GLU HBx 1.0 1.8 4.50 266 216 A 50 GLU HBy A 49 THR HG2% 1.0 1.8 4.50 267 217 A 49 THR HG2% A 51 ARG HBx 1.0 1.8 4.50 268 217 A 51 ARG HBy A 49 THR HG2% 1.0 1.8 4.50 269 218 A 17 THR HG2% A 17 THR H 1.0 1.8 2.66 270 219 A 17 THR HG2% A 20 GLN HBy 1.0 1.8 5.44 271 220 A 50 GLU H A 49 THR HG2% 1.0 1.8 2.40 272 221 A 51 ARG H A 49 THR HG2% 1.0 1.8 3.10 273 222 A 49 THR HG2% A 3 TRP HA 1.0 1.8 4.92 274 223 A 23 GLU HBx A 45 VAL HGy% 1.0 1.8 5.50 275 224 A 45 VAL HGy% A 45 VAL H 1.0 1.8 2.49 276 225 A 46 LEU H A 45 VAL HGy% 1.0 1.8 2.40 277 226 A 45 VAL HGy% A 46 LEU HA 1.0 1.8 4.60 278 227 A 42 VAL HA A 45 VAL HGy% 1.0 1.8 4.62 279 228 A 45 VAL HGy% A 23 GLU HGx 1.0 1.8 4.63 280 228 A 23 GLU HGy A 45 VAL HGy% 1.0 1.8 4.63 281 229 A 45 VAL HGy% A 22 LEU HDx% 1.0 1.8 5.35 282 230 A 45 VAL HGy% A 22 LEU HDy% 1.0 1.8 5.35 283 231 A 43 ALA HB% A 45 VAL HGy% 1.0 1.8 5.50 284 232 A 50 GLU H A 43 ALA HB% 1.0 1.8 5.15 285 233 A 43 ALA HB% A 43 ALA H 1.0 1.8 2.79 286 234 A 43 ALA HB% A 53 VAL HB 1.0 1.8 4.95 287 235 A 56 TRP H A 55 ILE HG2% 1.0 1.8 3.65 288 236 A 59 ASN HD2y A 55 ILE HG2% 1.0 1.8 2.95 289 237 A 55 ILE HG2% A 51 ARG HBx 1.0 1.8 5.05 290 237 A 51 ARG HBy A 55 ILE HG2% 1.0 1.8 5.05 291 238 A 43 ALA HB% A 48 LEU HG 1.0 1.8 4.92 292 239 A 43 ALA HB% A 48 LEU HDx% 1.0 1.8 4.65 293 240 A 43 ALA HB% A 48 LEU H 1.0 1.8 4.77 294 241 A 43 ALA HB% A 44 ARG H 1.0 1.8 3.00 295 242 A 43 ALA HB% A 40 TYR HD% 1.0 1.8 3.85 296 243 A 43 ALA HB% A 49 THR HA 1.0 1.8 4.17 297 244 A 43 ALA HB% A 40 TYR HA 1.0 1.8 4.17 298 245 A 43 ALA HB% A 40 TYR HBx 1.0 1.8 4.69 299 245 A 43 ALA HB% A 40 TYR HBy 1.0 1.8 4.69 300 246 A 43 ALA HB% A 50 GLU HBx 1.0 1.8 5.14 301 246 A 43 ALA HB% A 50 GLU HBy 1.0 1.8 5.14 302 247 A 43 ALA HB% A 42 VAL HGy% 1.0 1.8 4.17 303 248 A 55 ILE H A 55 ILE HG2% 1.0 1.8 3.78 304 249 A 59 ASN HD2x A 55 ILE HG2% 1.0 1.8 3.07 305 250 A 55 ILE HA A 55 ILE HG2% 1.0 1.8 4.04 306 251 A 55 ILE HG1x A 55 ILE HG2% 1.0 1.8 4.04 307 252 A 55 ILE H A 55 ILE HD1% 1.0 1.8 3.51 308 253 A 52 GLN HA A 55 ILE HD1% 1.0 1.8 3.53 309 254 A 55 ILE HA A 55 ILE HD1% 1.0 1.8 3.97 310 255 A 55 ILE HB A 55 ILE HD1% 1.0 1.8 3.53 311 256 A 55 ILE HD1% A 51 ARG HBx 1.0 1.8 3.53 312 256 A 51 ARG HBy A 55 ILE HD1% 1.0 1.8 3.53 313 257 A 55 ILE HG2% A 55 ILE HD1% 1.0 1.8 3.53 314 258 A 2 ASN H A 5 HIS H 1.0 1.8 4.47 315 259 A 2 ASN H A 6 ALA HA 1.0 1.8 4.77 316 260 A 2 ASN H A 6 ALA H 1.0 1.8 4.24 317 261 A 3 TRP HA A 6 ALA H 1.0 1.8 5.50 318 262 A 24 LEU H A 25 GLU H 1.0 1.8 3.75 319 263 A 24 LEU H A 23 GLU HBy 1.0 1.8 3.75 320 264 A 24 LEU H A 24 LEU HBx 1.0 1.8 3.89 321 265 A 24 LEU H A 23 GLU H 1.0 1.8 3.75 322 266 A 24 LEU H A 24 LEU HBy 1.0 1.8 3.89 323 267 A 24 LEU H A 24 LEU HDy% 1.0 1.8 4.40 324 268 A 24 LEU H A 24 LEU HDx% 1.0 1.8 4.40 325 269 A 60 ARG H A 59 ASN HBx 1.0 1.8 3.44 326 270 A 5 HIS H A 3 TRP H 1.0 1.8 4.51 327 271 A 3 TRP HA A 5 HIS H 1.0 1.8 4.82 328 272 A 6 ALA H A 4 ILE H 1.0 1.8 4.51 329 273 A 4 ILE H A 4 ILE HG2% 1.0 1.8 4.04 330 274 A 34 LEU H A 34 LEU HG 1.0 1.8 4.90 331 275 A 4 ILE H A 4 ILE HB 1.0 1.8 3.80 332 276 A 57 PHE H A 56 TRP H 1.0 1.8 3.96 333 277 A 55 ILE H A 56 TRP H 1.0 1.8 3.96 334 278 A 37 ASP HA A 36 ARG H 1.0 1.8 5.50 335 279 A 28 PHE H A 28 PHE HD% 1.0 1.8 4.60 336 280 A 28 PHE H A 30 PHE H 1.0 1.8 5.04 337 281 A 28 PHE H A 28 PHE HBy 1.0 1.8 3.54 338 282 A 66 LYS H A 65 LYS HBx 1.0 1.8 4.40 339 282 A 65 LYS HBy A 66 LYS H 1.0 1.8 4.40 340 283 A 66 LYS H A 66 LYS HGx 1.0 1.8 4.13 341 283 A 66 LYS H A 66 LYS HGy 1.0 1.8 4.13 342 284 A 24 LEU H A 22 LEU H 1.0 1.8 4.38 343 285 A 21 THR H A 22 LEU H 1.0 1.8 4.13 344 286 A 21 THR HB A 22 LEU H 1.0 1.8 4.38 345 287 A 22 LEU H A 22 LEU HDx% 1.0 1.8 5.06 346 288 A 22 LEU H A 22 LEU HDy% 1.0 1.8 5.06 347 289 A 49 THR H A 53 VAL H 1.0 1.8 4.80 348 290 A 54 LYS H A 53 VAL H 1.0 1.8 4.04 349 291 A 53 VAL H A 52 GLN HBx 1.0 1.8 4.04 350 291 A 52 GLN HBy A 53 VAL H 1.0 1.8 4.04 351 292 A 43 ALA HB% A 53 VAL H 1.0 1.8 4.55 352 293 A 54 LYS H A 53 VAL HB 1.0 1.8 4.18 353 294 A 32 MET H A 33 TYR H 1.0 1.8 3.79 354 295 A 32 MET H A 31 ASN HBx 1.0 1.8 3.79 355 295 A 32 MET H A 31 ASN HBy 1.0 1.8 3.79 356 296 A 32 MET H A 32 MET HBy 1.0 1.8 3.79 357 297 A 32 MET H A 32 MET HBx 1.0 1.8 3.79 358 298 A 50 GLU H A 3 TRP HA 1.0 1.8 5.50 359 299 A 35 THR HG2% A 38 ARG H 1.0 1.8 5.50 360 300 A 65 LYS H A 66 LYS H 1.0 1.8 3.86 361 301 A 65 LYS H A 64 MET H 1.0 1.8 3.86 362 302 A 41 GLU H A 42 VAL HGx% 1.0 1.8 4.58 363 303 A 42 VAL H A 43 ALA H 1.0 1.8 3.97 364 304 A 41 GLU H A 42 VAL H 1.0 1.8 3.48 365 305 A 43 ALA HB% A 42 VAL H 1.0 1.8 4.46 366 306 A 28 PHE H A 27 GLU H 1.0 1.8 4.36 367 307 A 24 LEU HA A 27 GLU H 1.0 1.8 4.36 368 308 A 42 VAL H A 41 GLU HBy 1.0 1.8 3.97 369 309 A 41 GLU HBx A 42 VAL H 1.0 1.8 3.91 370 310 A 27 GLU H A 26 LYS H 1.0 1.8 4.36 371 311 A 44 ARG H A 43 ALA H 1.0 1.8 4.06 372 312 A 44 ARG HA A 43 ALA H 1.0 1.8 5.08 373 313 A 42 VAL HGx% A 43 ALA H 1.0 1.8 4.06 374 314 A 42 VAL HGy% A 43 ALA H 1.0 1.8 4.06 375 315 A 39 ARG H A 37 ASP H 1.0 1.8 4.60 376 316 A 39 ARG H A 38 ARG H 1.0 1.8 4.65 377 317 A 39 ARG H A 36 ARG HA 1.0 1.8 4.60 378 318 A 57 PHE H A 57 PHE HD% 1.0 1.8 5.50 379 319 A 55 ILE H A 55 ILE HG1y 1.0 1.8 4.42 380 320 A 30 PHE H A 31 ASN H 1.0 1.8 4.84 381 321 A 30 PHE H A 29 LEU HBy 1.0 1.8 4.99 382 322 A 30 PHE H A 29 LEU HBx 1.0 1.8 4.99 383 323 A 48 LEU H A 48 LEU HG 1.0 1.8 4.04 384 324 A 43 ALA HA A 48 LEU H 1.0 1.8 4.54 385 325 A 50 GLU H A 51 ARG H 1.0 1.8 4.95 386 326 A 52 GLN H A 51 ARG H 1.0 1.8 3.72 387 327 A 51 ARG H A 3 TRP HA 1.0 1.8 4.95 388 328 A 51 ARG H A 49 THR HA 1.0 1.8 4.95 389 329 A 39 ARG HBx A 51 ARG H 1.0 1.8 5.50 390 330 A 22 LEU HA A 25 GLU H 1.0 1.8 4.09 391 331 A 25 GLU H A 25 GLU HBx 1.0 1.8 3.85 392 332 A 25 GLU H A 24 LEU HBy 1.0 1.8 3.85 393 333 A 25 GLU H A 24 LEU HBx 1.0 1.8 3.85 394 334 A 58 GLN H A 57 PHE H 1.0 1.8 4.07 395 335 A 58 GLN H A 57 PHE HBy 1.0 1.8 4.07 396 336 A 58 GLN H A 57 PHE HBx 1.0 1.8 4.07 397 337 A 58 GLN H A 58 GLN HBx 1.0 1.8 4.07 398 338 A 58 GLN H A 56 TRP H 1.0 1.8 4.32 399 339 A 54 LYS HA A 58 GLN H 1.0 1.8 4.32 400 340 A 26 LYS H A 25 GLU H 1.0 1.8 3.54 401 341 A 58 GLN H A 60 ARG H 1.0 1.8 4.95 402 342 A 22 LEU H A 23 GLU H 1.0 1.8 4.00 403 343 A 22 LEU HBy A 23 GLU H 1.0 1.8 4.50 404 344 A 23 GLU H A 25 GLU H 1.0 1.8 4.25 405 345 A 20 GLN HA A 23 GLU H 1.0 1.8 4.00 406 346 A 23 GLU H A 22 LEU HDx% 1.0 1.8 4.61 407 347 A 23 GLU H A 22 LEU HDy% 1.0 1.8 4.61 408 348 A 63 LYS H A 62 MET H 1.0 1.8 4.69 409 349 A 63 LYS H A 64 MET H 1.0 1.8 5.08 410 350 A 63 LYS H A 64 MET HBx 1.0 1.8 4.96 411 351 A 19 TYR H A 20 GLN H 1.0 1.8 3.75 412 352 A 19 TYR HD% A 19 TYR H 1.0 1.8 3.98 413 353 A 19 TYR H A 17 THR HB 1.0 1.8 4.45 414 354 A 19 TYR H A 18 LYS HBx 1.0 1.8 3.75 415 354 A 19 TYR H A 18 LYS HBy 1.0 1.8 3.75 416 355 A 48 LEU H A 45 VAL H 1.0 1.8 5.30 417 356 A 42 VAL HA A 45 VAL H 1.0 1.8 4.71 418 357 A 45 VAL H A 44 ARG HBy 1.0 1.8 4.71 419 358 A 45 VAL H A 44 ARG HBx 1.0 1.8 4.71 420 359 A 17 THR HG2% A 19 TYR H 1.0 1.8 3.75 421 360 A 59 ASN H A 55 ILE HG2% 1.0 1.8 3.93 422 361 A 21 THR H A 19 TYR H 1.0 1.8 4.62 423 362 A 59 ASN H A 56 TRP HA 1.0 1.8 4.16 424 363 A 59 ASN H A 58 GLN HBx 1.0 1.8 3.70 425 364 A 60 ARG H A 59 ASN H 1.0 1.8 3.70 426 365 A 59 ASN H A 59 ASN HD2y 1.0 1.8 3.93 427 366 A 64 MET H A 63 LYS HBy 1.0 1.8 4.21 428 367 A 64 MET H A 65 LYS HBx 1.0 1.8 4.60 429 367 A 65 LYS HBy A 64 MET H 1.0 1.8 4.60 430 368 A 64 MET H A 63 LYS HBx 1.0 1.8 4.21 431 369 A 48 LEU H A 47 ASN H 1.0 1.8 3.89 432 370 A 44 ARG HA A 47 ASN H 1.0 1.8 3.89 433 371 A 47 ASN H A 47 ASN HBy 1.0 1.8 4.13 434 372 A 47 ASN H A 46 LEU HBy 1.0 1.8 4.37 435 373 A 47 ASN H A 47 ASN HBx 1.0 1.8 4.13 436 374 A 47 ASN H A 46 LEU HBx 1.0 1.8 4.37 437 375 A 48 LEU HDy% A 47 ASN H 1.0 1.8 4.62 438 376 A 60 ARG H A 61 ARG H 1.0 1.8 3.85 439 377 A 62 MET H A 61 ARG H 1.0 1.8 3.85 440 378 A 61 ARG H A 61 ARG HBx 1.0 1.8 3.85 441 378 A 61 ARG H A 61 ARG HBy 1.0 1.8 3.85 442 379 A 61 ARG H A 61 ARG HGx 1.0 1.8 4.09 443 379 A 61 ARG H A 61 ARG HGy 1.0 1.8 4.09 444 380 A 61 ARG H A 60 ARG HBy 1.0 1.8 4.09 445 381 A 61 ARG H A 60 ARG HBx 1.0 1.8 4.09 446 382 A 47 ASN H A 45 VAL H 1.0 1.8 3.89 447 383 A 64 MET HBx A 64 MET H 1.0 1.8 3.54 448 384 A 62 MET H A 61 ARG HBx 1.0 1.8 3.54 449 384 A 62 MET H A 61 ARG HBy 1.0 1.8 3.54 450 385 A 52 GLN H A 3 TRP HA 1.0 1.8 4.31 451 386 A 52 GLN H A 52 GLN HBx 1.0 1.8 4.06 452 386 A 52 GLN HBy A 52 GLN H 1.0 1.8 4.06 453 387 A 52 GLN H A 49 THR HG2% 1.0 1.8 4.06 454 388 A 52 GLN H A 49 THR H 1.0 1.8 4.31 455 389 A 39 ARG H A 40 TYR H 1.0 1.8 3.80 456 390 A 40 TYR H A 40 TYR HBx 1.0 1.8 3.80 457 390 A 40 TYR HBy A 40 TYR H 1.0 1.8 3.80 458 391 A 16 TYR H A 16 TYR HD% 1.0 1.8 3.54 459 392 A 41 GLU H A 40 TYR H 1.0 1.8 3.80 460 393 A 40 TYR H A 40 TYR HD% 1.0 1.8 4.28 461 394 A 39 ARG HBx A 40 TYR H 1.0 1.8 4.04 462 395 A 32 MET H A 31 ASN H 1.0 1.8 5.50 463 396 A 31 ASN H A 31 ASN HD2y 1.0 1.8 5.50 464 397 A 31 ASN H A 31 ASN HD2x 1.0 1.8 5.50 465 398 A 37 ASP H A 38 ARG H 1.0 1.8 4.35 466 399 A 37 ASP H A 35 THR HB 1.0 1.8 4.35 467 400 A 37 ASP H A 40 TYR HBx 1.0 1.8 4.90 468 400 A 40 TYR HBy A 37 ASP H 1.0 1.8 4.90 469 401 A 44 ARG H A 42 VAL H 1.0 1.8 4.12 470 402 A 44 ARG H A 45 VAL H 1.0 1.8 4.12 471 403 A 44 ARG H A 46 LEU H 1.0 1.8 4.24 472 404 A 44 ARG H A 41 GLU HA 1.0 1.8 4.76 473 405 A 20 GLN H A 17 THR H 1.0 1.8 4.12 474 406 A 21 THR H A 20 GLN H 1.0 1.8 4.12 475 407 A 48 LEU H A 46 LEU H 1.0 1.8 4.04 476 408 A 46 LEU H A 45 VAL H 1.0 1.8 3.80 477 409 A 46 LEU H A 43 ALA H 1.0 1.8 4.75 478 410 A 47 ASN HA A 46 LEU H 1.0 1.8 4.75 479 411 A 42 VAL HA A 46 LEU H 1.0 1.8 4.51 480 412 A 45 VAL HB A 46 LEU H 1.0 1.8 4.28 481 413 A 46 LEU H A 46 LEU HBx 1.0 1.8 3.80 482 414 A 46 LEU H A 45 VAL HGx% 1.0 1.8 3.80 483 415 A 19 TYR HD% A 20 GLN H 1.0 1.8 4.38 484 416 A 28 PHE H A 29 LEU H 1.0 1.8 4.24 485 417 A 29 LEU H A 30 PHE H 1.0 1.8 4.30 486 418 A 29 LEU H A 28 PHE HBy 1.0 1.8 4.24 487 419 A 29 LEU H A 28 PHE HBx 1.0 1.8 4.24 488 420 A 33 TYR H A 33 TYR HD% 1.0 1.8 4.52 489 421 A 33 TYR H A 33 TYR HBy 1.0 1.8 3.81 490 422 A 33 TYR H A 33 TYR HBx 1.0 1.8 3.81 491 423 A 33 TYR H A 32 MET HBx 1.0 1.8 4.04 492 424 A 33 TYR H A 32 MET HBy 1.0 1.8 4.04 493 425 A 17 THR H A 16 TYR HA 1.0 1.8 3.26 494 426 A 17 THR H A 20 GLN HGx 1.0 1.8 4.11 495 426 A 20 GLN HGy A 17 THR H 1.0 1.8 4.11 496 427 A 17 THR H A 20 GLN HBy 1.0 1.8 4.03 497 428 A 17 THR H A 20 GLN HBx 1.0 1.8 4.03 498 429 A 39 ARG H A 35 THR H 1.0 1.8 4.75 499 430 A 35 THR H A 34 LEU HDx% 1.0 1.8 4.00 500 431 A 21 THR H A 18 LYS HA 1.0 1.8 5.50 501 432 A 21 THR H A 24 LEU H 1.0 1.8 5.50 502 433 A 21 THR H A 20 GLN HBy 1.0 1.8 5.50 503 434 A 21 THR H A 20 GLN HBx 1.0 1.8 5.50 504 435 A 3 TRP H A 3 TRP HBx 1.0 1.8 3.54 505 435 A 3 TRP H A 3 TRP HBy 1.0 1.8 3.54 506 436 A 3 TRP HA A 52 GLN HGy 1.0 1.8 5.17 507 436 A 3 TRP HA A 52 GLN HGx 1.0 1.8 5.17 508 437 A 49 THR HB A 3 TRP HBx 1.0 1.8 4.49 509 437 A 3 TRP HBy A 49 THR HB 1.0 1.8 4.49 510 438 A 51 ARG H A 3 TRP HBx 1.0 1.8 4.83 511 438 A 51 ARG H A 3 TRP HBy 1.0 1.8 4.83 512 439 A 4 ILE H A 4 ILE HG1x 1.0 1.8 3.74 513 439 A 4 ILE H A 4 ILE HG1y 1.0 1.8 3.74 514 440 A 12 LYS HBx A 15 PRO HGx 1.0 1.8 3.91 515 440 A 15 PRO HGy A 12 LYS HBx 1.0 1.8 3.91 516 440 A 12 LYS HBy A 15 PRO HGy 1.0 1.8 3.91 517 440 A 12 LYS HBy A 15 PRO HGx 1.0 1.8 3.91 518 441 A 15 PRO HDy A 12 LYS HBx 1.0 1.8 4.12 519 441 A 15 PRO HDy A 12 LYS HBy 1.0 1.8 4.12 520 442 A 16 TYR H A 15 PRO HBy 1.0 1.8 3.77 521 442 A 16 TYR H A 15 PRO HBx 1.0 1.8 3.77 522 443 A 16 TYR H A 16 TYR HBy 1.0 1.8 2.81 523 443 A 16 TYR H A 16 TYR HBx 1.0 1.8 2.81 524 444 A 17 THR H A 16 TYR HBy 1.0 1.8 3.44 525 444 A 17 THR H A 16 TYR HBx 1.0 1.8 3.44 526 445 A 17 THR HG2% A 16 TYR HBy 1.0 1.8 5.29 527 445 A 17 THR HG2% A 16 TYR HBx 1.0 1.8 5.29 528 446 A 21 THR HG2% A 16 TYR HBy 1.0 1.8 4.13 529 446 A 21 THR HG2% A 16 TYR HBx 1.0 1.8 4.13 530 447 A 17 THR HG2% A 18 LYS HDx 1.0 1.8 5.34 531 447 A 17 THR HG2% A 18 LYS HDy 1.0 1.8 5.34 532 448 A 17 THR HG2% A 20 GLN HBy 1.0 1.8 4.76 533 448 A 17 THR HG2% A 20 GLN HBx 1.0 1.8 4.76 534 449 A 18 LYS HBy A 18 LYS HDx 1.0 1.8 3.31 535 449 A 18 LYS HBx A 18 LYS HDx 1.0 1.8 3.31 536 449 A 18 LYS HDy A 18 LYS HBx 1.0 1.8 3.31 537 449 A 18 LYS HBy A 18 LYS HDy 1.0 1.8 3.31 538 450 A 19 TYR HA A 22 LEU HDy% 1.0 1.8 4.99 539 450 A 19 TYR HA A 22 LEU HDx% 1.0 1.8 4.99 540 451 A 20 GLN H A 20 GLN HBy 1.0 1.8 2.41 541 451 A 20 GLN H A 20 GLN HBx 1.0 1.8 2.41 542 452 A 20 GLN H A 46 LEU HDy% 1.0 1.8 4.10 543 452 A 20 GLN H A 46 LEU HDx% 1.0 1.8 4.10 544 453 A 20 GLN HGx A 46 LEU HDy% 1.0 1.8 5.07 545 453 A 20 GLN HGy A 46 LEU HDy% 1.0 1.8 5.07 546 453 A 46 LEU HDx% A 20 GLN HGx 1.0 1.8 5.07 547 453 A 20 GLN HGy A 46 LEU HDx% 1.0 1.8 5.07 548 454 A 21 THR HA A 24 LEU HBx 1.0 1.8 3.67 549 454 A 21 THR HA A 24 LEU HBy 1.0 1.8 3.67 550 455 A 21 THR HA A 24 LEU HDy% 1.0 1.8 3.68 551 455 A 21 THR HA A 24 LEU HDx% 1.0 1.8 3.68 552 456 A 22 LEU H A 22 LEU HDy% 1.0 1.8 4.30 553 456 A 22 LEU H A 22 LEU HDx% 1.0 1.8 4.30 554 457 A 22 LEU HA A 25 GLU HGx 1.0 1.8 4.39 555 457 A 22 LEU HA A 25 GLU HGy 1.0 1.8 4.39 556 458 A 23 GLU H A 22 LEU HDy% 1.0 1.8 3.96 557 458 A 23 GLU H A 22 LEU HDx% 1.0 1.8 3.96 558 459 A 45 VAL HGx% A 22 LEU HDy% 1.0 1.8 5.44 559 459 A 45 VAL HGx% A 22 LEU HDx% 1.0 1.8 5.44 560 460 A 45 VAL HGy% A 22 LEU HDy% 1.0 1.8 4.48 561 460 A 45 VAL HGy% A 22 LEU HDx% 1.0 1.8 4.48 562 461 A 23 GLU H A 46 LEU HDy% 1.0 1.8 3.98 563 461 A 23 GLU H A 46 LEU HDx% 1.0 1.8 3.98 564 462 A 23 GLU HA A 46 LEU HDy% 1.0 1.8 5.33 565 462 A 23 GLU HA A 46 LEU HDx% 1.0 1.8 5.33 566 463 A 23 GLU HBy A 46 LEU HBx 1.0 1.8 5.34 567 463 A 23 GLU HBy A 46 LEU HBy 1.0 1.8 5.34 568 464 A 23 GLU HBx A 46 LEU HBx 1.0 1.8 4.79 569 464 A 23 GLU HBx A 46 LEU HBy 1.0 1.8 4.79 570 465 A 23 GLU HBx A 46 LEU HDy% 1.0 1.8 4.05 571 465 A 23 GLU HBx A 46 LEU HDx% 1.0 1.8 4.05 572 466 A 23 GLU HGx A 46 LEU HDy% 1.0 1.8 3.02 573 466 A 46 LEU HDx% A 23 GLU HGx 1.0 1.8 3.02 574 466 A 23 GLU HGy A 46 LEU HDx% 1.0 1.8 3.02 575 466 A 23 GLU HGy A 46 LEU HDy% 1.0 1.8 3.02 576 467 A 24 LEU H A 24 LEU HBx 1.0 1.8 3.40 577 467 A 24 LEU H A 24 LEU HBy 1.0 1.8 3.40 578 468 A 24 LEU H A 24 LEU HDy% 1.0 1.8 3.55 579 468 A 24 LEU H A 24 LEU HDx% 1.0 1.8 3.55 580 469 A 24 LEU H A 46 LEU HDy% 1.0 1.8 3.73 581 469 A 24 LEU H A 46 LEU HDx% 1.0 1.8 3.73 582 470 A 24 LEU HA A 24 LEU HDy% 1.0 1.8 3.56 583 470 A 24 LEU HA A 24 LEU HDx% 1.0 1.8 3.56 584 471 A 24 LEU HA A 27 GLU HBx 1.0 1.8 4.35 585 471 A 24 LEU HA A 27 GLU HBy 1.0 1.8 4.35 586 472 A 24 LEU HG A 46 LEU HDy% 1.0 1.8 4.60 587 472 A 24 LEU HG A 46 LEU HDx% 1.0 1.8 4.60 588 473 A 42 VAL HGy% A 24 LEU HDy% 1.0 1.8 4.65 589 473 A 42 VAL HGy% A 24 LEU HDx% 1.0 1.8 4.65 590 474 A 24 LEU HDy% A 46 LEU HDy% 1.0 1.8 3.54 591 474 A 24 LEU HDx% A 46 LEU HDy% 1.0 1.8 3.54 592 474 A 46 LEU HDx% A 24 LEU HDy% 1.0 1.8 3.54 593 474 A 46 LEU HDx% A 24 LEU HDx% 1.0 1.8 3.54 594 475 A 24 LEU HDx% A 53 VAL HGx% 1.0 1.8 4.13 595 475 A 24 LEU HDy% A 53 VAL HGx% 1.0 1.8 4.13 596 475 A 53 VAL HGy% A 24 LEU HDy% 1.0 1.8 4.13 597 475 A 24 LEU HDx% A 53 VAL HGy% 1.0 1.8 4.13 598 476 A 25 GLU H A 25 GLU HGx 1.0 1.8 2.45 599 476 A 25 GLU H A 25 GLU HGy 1.0 1.8 2.45 600 477 A 25 GLU HA A 25 GLU HGx 1.0 1.8 3.54 601 477 A 25 GLU HA A 25 GLU HGy 1.0 1.8 3.54 602 478 A 26 LYS H A 25 GLU HGx 1.0 1.8 2.65 603 478 A 26 LYS H A 25 GLU HGy 1.0 1.8 2.65 604 479 A 25 GLU HGy A 26 LYS HBx 1.0 1.8 4.14 605 479 A 25 GLU HGx A 26 LYS HBx 1.0 1.8 4.14 606 479 A 26 LYS HBy A 25 GLU HGx 1.0 1.8 4.14 607 479 A 26 LYS HBy A 25 GLU HGy 1.0 1.8 4.14 608 480 A 26 LYS HA A 29 LEU HDy% 1.0 1.8 4.44 609 480 A 26 LYS HA A 29 LEU HDx% 1.0 1.8 4.44 610 481 A 26 LYS HBx A 26 LYS HEx 1.0 1.8 3.52 611 481 A 26 LYS HEy A 26 LYS HBx 1.0 1.8 3.52 612 481 A 26 LYS HBy A 26 LYS HEy 1.0 1.8 3.52 613 481 A 26 LYS HBy A 26 LYS HEx 1.0 1.8 3.52 614 482 A 26 LYS HBx A 27 GLU HBx 1.0 1.8 5.03 615 482 A 26 LYS HBy A 27 GLU HBx 1.0 1.8 5.03 616 482 A 27 GLU HBy A 26 LYS HBx 1.0 1.8 5.03 617 482 A 26 LYS HBy A 27 GLU HBy 1.0 1.8 5.03 618 483 A 27 GLU HA A 27 GLU HGy 1.0 1.8 3.61 619 483 A 27 GLU HA A 27 GLU HGx 1.0 1.8 3.61 620 484 A 27 GLU HA A 29 LEU HDy% 1.0 1.8 4.48 621 484 A 27 GLU HA A 29 LEU HDx% 1.0 1.8 4.48 622 485 A 28 PHE H A 27 GLU HBx 1.0 1.8 3.49 623 485 A 28 PHE H A 27 GLU HBy 1.0 1.8 3.49 624 486 A 28 PHE H A 28 PHE HBy 1.0 1.8 3.03 625 486 A 28 PHE H A 28 PHE HBx 1.0 1.8 3.03 626 487 A 28 PHE HBx A 29 LEU HDy% 1.0 1.8 5.28 627 487 A 28 PHE HBy A 29 LEU HDy% 1.0 1.8 5.28 628 487 A 29 LEU HDx% A 28 PHE HBy 1.0 1.8 5.28 629 487 A 29 LEU HDx% A 28 PHE HBx 1.0 1.8 5.28 630 488 A 30 PHE H A 28 PHE HBy 1.0 1.8 5.01 631 488 A 30 PHE H A 28 PHE HBx 1.0 1.8 5.01 632 489 A 29 LEU H A 29 LEU HBy 1.0 1.8 2.67 633 489 A 29 LEU H A 29 LEU HBx 1.0 1.8 2.67 634 490 A 29 LEU H A 29 LEU HDy% 1.0 1.8 3.29 635 490 A 29 LEU H A 29 LEU HDx% 1.0 1.8 3.29 636 491 A 29 LEU HA A 29 LEU HDy% 1.0 1.8 4.34 637 491 A 29 LEU HA A 29 LEU HDx% 1.0 1.8 4.34 638 492 A 30 PHE H A 29 LEU HBy 1.0 1.8 4.38 639 492 A 30 PHE H A 29 LEU HBx 1.0 1.8 4.38 640 493 A 29 LEU HDy% A 34 LEU HDy% 1.0 1.8 4.00 641 493 A 29 LEU HDx% A 34 LEU HDy% 1.0 1.8 4.00 642 493 A 34 LEU HDx% A 29 LEU HDy% 1.0 1.8 4.00 643 493 A 29 LEU HDx% A 34 LEU HDx% 1.0 1.8 4.00 644 494 A 30 PHE H A 30 PHE HBx 1.0 1.8 2.60 645 494 A 30 PHE H A 30 PHE HBy 1.0 1.8 2.60 646 495 A 30 PHE H A 34 LEU HBy 1.0 1.8 5.34 647 495 A 30 PHE H A 34 LEU HBx 1.0 1.8 5.34 648 496 A 31 ASN H A 30 PHE HBx 1.0 1.8 3.96 649 496 A 31 ASN H A 30 PHE HBy 1.0 1.8 3.96 650 497 A 32 MET H A 32 MET HGx 1.0 1.8 2.48 651 497 A 32 MET H A 32 MET HGy 1.0 1.8 2.48 652 498 A 33 TYR H A 32 MET HBy 1.0 1.8 3.49 653 498 A 33 TYR H A 32 MET HBx 1.0 1.8 3.49 654 499 A 33 TYR HD% A 32 MET HBy 1.0 1.8 4.25 655 499 A 33 TYR HD% A 32 MET HBx 1.0 1.8 4.25 656 500 A 33 TYR H A 32 MET HGx 1.0 1.8 3.75 657 500 A 33 TYR H A 32 MET HGy 1.0 1.8 3.75 658 501 A 32 MET HGy A 33 TYR HBy 1.0 1.8 4.96 659 501 A 32 MET HGx A 33 TYR HBy 1.0 1.8 4.96 660 501 A 33 TYR HBx A 32 MET HGx 1.0 1.8 4.96 661 501 A 32 MET HGy A 33 TYR HBx 1.0 1.8 4.96 662 502 A 34 LEU H A 34 LEU HDy% 1.0 1.8 4.49 663 502 A 34 LEU H A 34 LEU HDx% 1.0 1.8 4.49 664 503 A 34 LEU HA A 34 LEU HDy% 1.0 1.8 3.45 665 503 A 34 LEU HA A 34 LEU HDx% 1.0 1.8 3.45 666 504 A 35 THR H A 34 LEU HBy 1.0 1.8 3.93 667 504 A 35 THR H A 34 LEU HBx 1.0 1.8 3.93 668 505 A 35 THR HG2% A 34 LEU HBy 1.0 1.8 5.05 669 505 A 35 THR HG2% A 34 LEU HBx 1.0 1.8 5.05 670 506 A 39 ARG H A 34 LEU HBy 1.0 1.8 5.31 671 506 A 39 ARG H A 34 LEU HBx 1.0 1.8 5.31 672 507 A 35 THR H A 34 LEU HDy% 1.0 1.8 3.09 673 507 A 35 THR H A 34 LEU HDx% 1.0 1.8 3.09 674 508 A 34 LEU HDy% A 38 ARG HBx 1.0 1.8 3.33 675 508 A 38 ARG HBy A 34 LEU HDy% 1.0 1.8 3.33 676 508 A 34 LEU HDx% A 38 ARG HBy 1.0 1.8 3.33 677 508 A 34 LEU HDx% A 38 ARG HBx 1.0 1.8 3.33 678 509 A 38 ARG HBy A 34 LEU HDy% 1.0 1.8 5.57 679 510 A 34 LEU HDx% A 38 ARG HGx 1.0 1.8 4.30 680 510 A 34 LEU HDy% A 38 ARG HGx 1.0 1.8 4.30 681 510 A 38 ARG HGy A 34 LEU HDy% 1.0 1.8 4.30 682 510 A 34 LEU HDx% A 38 ARG HGy 1.0 1.8 4.30 683 511 A 39 ARG H A 34 LEU HDy% 1.0 1.8 4.57 684 511 A 39 ARG H A 34 LEU HDx% 1.0 1.8 4.57 685 512 A 39 ARG HA A 34 LEU HDy% 1.0 1.8 4.40 686 512 A 39 ARG HA A 34 LEU HDx% 1.0 1.8 4.40 687 513 A 34 LEU HDy% A 39 ARG HGx 1.0 1.8 4.41 688 513 A 34 LEU HDx% A 39 ARG HGx 1.0 1.8 4.41 689 513 A 39 ARG HGy A 34 LEU HDy% 1.0 1.8 4.41 690 513 A 34 LEU HDx% A 39 ARG HGy 1.0 1.8 4.41 691 514 A 42 VAL HGy% A 34 LEU HDy% 1.0 1.8 4.39 692 514 A 42 VAL HGy% A 34 LEU HDx% 1.0 1.8 4.39 693 515 A 34 LEU HDy% A 53 VAL HGx% 1.0 1.8 5.37 694 515 A 34 LEU HDx% A 53 VAL HGx% 1.0 1.8 5.37 695 515 A 53 VAL HGy% A 34 LEU HDy% 1.0 1.8 5.37 696 515 A 53 VAL HGy% A 34 LEU HDx% 1.0 1.8 5.37 697 516 A 35 THR H A 38 ARG HBx 1.0 1.8 3.93 698 516 A 35 THR H A 38 ARG HBy 1.0 1.8 3.93 699 517 A 35 THR HG2% A 36 ARG HBx 1.0 1.8 4.80 700 517 A 35 THR HG2% A 36 ARG HBy 1.0 1.8 4.80 701 518 A 36 ARG H A 36 ARG HBx 1.0 1.8 3.04 702 518 A 36 ARG H A 36 ARG HBy 1.0 1.8 3.04 703 519 A 36 ARG HA A 36 ARG HDx 1.0 1.8 3.99 704 519 A 36 ARG HA A 36 ARG HDy 1.0 1.8 3.99 705 520 A 37 ASP H A 36 ARG HBx 1.0 1.8 3.03 706 520 A 37 ASP H A 36 ARG HBy 1.0 1.8 3.03 707 521 A 36 ARG HGy A 50 GLU HBx 1.0 1.8 4.33 708 521 A 36 ARG HGx A 50 GLU HBx 1.0 1.8 4.33 709 521 A 50 GLU HBy A 36 ARG HGy 1.0 1.8 4.33 710 521 A 50 GLU HBy A 36 ARG HGx 1.0 1.8 4.33 711 522 A 37 ASP H A 37 ASP HBx 1.0 1.8 2.67 712 522 A 37 ASP H A 37 ASP HBy 1.0 1.8 2.67 713 523 A 38 ARG H A 37 ASP HBx 1.0 1.8 2.93 714 523 A 38 ARG H A 37 ASP HBy 1.0 1.8 2.93 715 524 A 37 ASP HBy A 38 ARG HBx 1.0 1.8 5.18 716 524 A 37 ASP HBx A 38 ARG HBx 1.0 1.8 5.18 717 524 A 38 ARG HBy A 37 ASP HBx 1.0 1.8 5.18 718 524 A 38 ARG HBy A 37 ASP HBy 1.0 1.8 5.18 719 525 A 41 GLU HBx A 37 ASP HBx 1.0 1.8 5.34 720 525 A 41 GLU HBx A 37 ASP HBy 1.0 1.8 5.34 721 526 A 38 ARG H A 38 ARG HBx 1.0 1.8 2.71 722 526 A 38 ARG H A 38 ARG HBy 1.0 1.8 2.71 723 527 A 38 ARG H A 38 ARG HGx 1.0 1.8 5.34 724 527 A 38 ARG H A 38 ARG HGy 1.0 1.8 5.34 725 528 A 38 ARG HA A 38 ARG HGx 1.0 1.8 3.42 726 528 A 38 ARG HA A 38 ARG HGy 1.0 1.8 3.42 727 529 A 38 ARG HA A 38 ARG HDx 1.0 1.8 3.03 728 529 A 38 ARG HA A 38 ARG HDy 1.0 1.8 3.03 729 530 A 39 ARG H A 38 ARG HBx 1.0 1.8 3.84 730 530 A 39 ARG H A 38 ARG HBy 1.0 1.8 3.84 731 531 A 38 ARG HBx A 39 ARG HGx 1.0 1.8 4.70 732 531 A 38 ARG HBy A 39 ARG HGx 1.0 1.8 4.70 733 531 A 39 ARG HGy A 38 ARG HBx 1.0 1.8 4.70 734 531 A 38 ARG HBy A 39 ARG HGy 1.0 1.8 4.70 735 532 A 42 VAL HGy% A 38 ARG HBx 1.0 1.8 5.16 736 532 A 42 VAL HGy% A 38 ARG HBy 1.0 1.8 5.16 737 533 A 42 VAL HGx% A 38 ARG HGx 1.0 1.8 4.32 738 533 A 42 VAL HGx% A 38 ARG HGy 1.0 1.8 4.32 739 534 A 42 VAL HB A 38 ARG HDx 1.0 1.8 5.20 740 534 A 42 VAL HB A 38 ARG HDy 1.0 1.8 5.20 741 535 A 42 VAL HGx% A 38 ARG HDx 1.0 1.8 3.71 742 535 A 42 VAL HGx% A 38 ARG HDy 1.0 1.8 3.71 743 536 A 39 ARG H A 39 ARG HGx 1.0 1.8 4.50 744 536 A 39 ARG H A 39 ARG HGy 1.0 1.8 4.50 745 537 A 39 ARG HA A 39 ARG HGx 1.0 1.8 3.58 746 537 A 39 ARG HA A 39 ARG HGy 1.0 1.8 3.58 747 538 A 39 ARG HA A 53 VAL HGx% 1.0 1.8 5.44 748 538 A 39 ARG HA A 53 VAL HGy% 1.0 1.8 5.44 749 539 A 39 ARG HBy A 39 ARG HDy 1.0 1.8 3.62 750 539 A 39 ARG HBy A 39 ARG HDx 1.0 1.8 3.62 751 540 A 39 ARG HBx A 54 LYS HGy 1.0 1.8 5.34 752 540 A 39 ARG HBx A 54 LYS HGx 1.0 1.8 5.34 753 541 A 40 TYR H A 39 ARG HGx 1.0 1.8 4.64 754 541 A 40 TYR H A 39 ARG HGy 1.0 1.8 4.64 755 542 A 39 ARG HGy A 53 VAL HGx% 1.0 1.8 3.70 756 542 A 39 ARG HGx A 53 VAL HGx% 1.0 1.8 3.70 757 542 A 53 VAL HGy% A 39 ARG HGx 1.0 1.8 3.70 758 542 A 53 VAL HGy% A 39 ARG HGy 1.0 1.8 3.70 759 543 A 39 ARG HGx A 54 LYS HGy 1.0 1.8 5.18 760 543 A 39 ARG HGy A 54 LYS HGy 1.0 1.8 5.18 761 543 A 54 LYS HGx A 39 ARG HGx 1.0 1.8 5.18 762 543 A 39 ARG HGy A 54 LYS HGx 1.0 1.8 5.18 763 544 A 39 ARG HGy A 54 LYS HDx 1.0 1.8 4.41 764 544 A 39 ARG HGx A 54 LYS HDx 1.0 1.8 4.41 765 544 A 54 LYS HDy A 39 ARG HGx 1.0 1.8 4.41 766 544 A 39 ARG HGy A 54 LYS HDy 1.0 1.8 4.41 767 545 A 39 ARG HDx A 54 LYS HEx 1.0 1.8 4.31 768 545 A 39 ARG HDy A 54 LYS HEx 1.0 1.8 4.31 769 545 A 54 LYS HEy A 39 ARG HDy 1.0 1.8 4.31 770 545 A 39 ARG HDx A 54 LYS HEy 1.0 1.8 4.31 771 546 A 41 GLU HA A 44 ARG HBy 1.0 1.8 4.96 772 546 A 41 GLU HA A 44 ARG HBx 1.0 1.8 4.96 773 547 A 41 GLU HBx A 44 ARG HBy 1.0 1.8 5.27 774 547 A 41 GLU HBx A 44 ARG HBx 1.0 1.8 5.27 775 548 A 42 VAL HGx% A 46 LEU HDy% 1.0 1.8 5.44 776 548 A 42 VAL HGx% A 46 LEU HDx% 1.0 1.8 5.44 777 549 A 42 VAL HGy% A 46 LEU HBx 1.0 1.8 5.28 778 549 A 42 VAL HGy% A 46 LEU HBy 1.0 1.8 5.28 779 550 A 42 VAL HGy% A 46 LEU HDy% 1.0 1.8 3.81 780 550 A 42 VAL HGy% A 46 LEU HDx% 1.0 1.8 3.81 781 551 A 43 ALA H A 44 ARG HBy 1.0 1.8 4.22 782 551 A 43 ALA H A 44 ARG HBx 1.0 1.8 4.22 783 552 A 43 ALA HA A 46 LEU HBx 1.0 1.8 4.15 784 552 A 43 ALA HA A 46 LEU HBy 1.0 1.8 4.15 785 553 A 43 ALA HA A 48 LEU HBy 1.0 1.8 3.75 786 553 A 43 ALA HA A 48 LEU HBx 1.0 1.8 3.75 787 554 A 43 ALA HA A 53 VAL HGx% 1.0 1.8 4.06 788 554 A 43 ALA HA A 53 VAL HGy% 1.0 1.8 4.06 789 555 A 43 ALA HB% A 44 ARG HBy 1.0 1.8 4.78 790 555 A 43 ALA HB% A 44 ARG HBx 1.0 1.8 4.78 791 556 A 43 ALA HB% A 44 ARG HGy 1.0 1.8 4.21 792 556 A 43 ALA HB% A 44 ARG HGx 1.0 1.8 4.21 793 557 A 43 ALA HB% A 50 GLU HGx 1.0 1.8 3.64 794 557 A 43 ALA HB% A 50 GLU HGy 1.0 1.8 3.64 795 558 A 43 ALA HB% A 53 VAL HGx% 1.0 1.8 4.06 796 558 A 43 ALA HB% A 53 VAL HGy% 1.0 1.8 4.06 797 559 A 44 ARG H A 44 ARG HGy 1.0 1.8 3.49 798 559 A 44 ARG H A 44 ARG HGx 1.0 1.8 3.49 799 560 A 44 ARG HA A 44 ARG HDx 1.0 1.8 4.39 800 560 A 44 ARG HA A 44 ARG HDy 1.0 1.8 4.39 801 561 A 44 ARG HBx A 44 ARG HDx 1.0 1.8 3.29 802 561 A 44 ARG HBy A 44 ARG HDx 1.0 1.8 3.29 803 561 A 44 ARG HDy A 44 ARG HBy 1.0 1.8 3.29 804 561 A 44 ARG HBx A 44 ARG HDy 1.0 1.8 3.29 805 562 A 45 VAL HGx% A 44 ARG HBy 1.0 1.8 4.12 806 562 A 45 VAL HGx% A 44 ARG HBx 1.0 1.8 4.12 807 563 A 45 VAL HGx% A 44 ARG HGy 1.0 1.8 5.31 808 563 A 45 VAL HGx% A 44 ARG HGx 1.0 1.8 5.31 809 564 A 45 VAL HA A 46 LEU HDy% 1.0 1.8 5.44 810 564 A 45 VAL HA A 46 LEU HDx% 1.0 1.8 5.44 811 565 A 45 VAL HGx% A 46 LEU HDy% 1.0 1.8 4.55 812 565 A 45 VAL HGx% A 46 LEU HDx% 1.0 1.8 4.55 813 566 A 45 VAL HGy% A 46 LEU HDy% 1.0 1.8 3.67 814 566 A 45 VAL HGy% A 46 LEU HDx% 1.0 1.8 3.67 815 567 A 46 LEU H A 46 LEU HBx 1.0 1.8 3.26 816 567 A 46 LEU H A 46 LEU HBy 1.0 1.8 3.26 817 568 A 46 LEU H A 46 LEU HDy% 1.0 1.8 3.35 818 568 A 46 LEU H A 46 LEU HDx% 1.0 1.8 3.35 819 569 A 46 LEU HA A 46 LEU HDy% 1.0 1.8 3.70 820 569 A 46 LEU HA A 46 LEU HDx% 1.0 1.8 3.70 821 570 A 47 ASN H A 46 LEU HBx 1.0 1.8 3.64 822 570 A 47 ASN H A 46 LEU HBy 1.0 1.8 3.64 823 571 A 48 LEU H A 46 LEU HBx 1.0 1.8 4.21 824 571 A 48 LEU H A 46 LEU HBy 1.0 1.8 4.21 825 572 A 46 LEU HBy A 53 VAL HGx% 1.0 1.8 4.47 826 572 A 46 LEU HBx A 53 VAL HGx% 1.0 1.8 4.47 827 572 A 53 VAL HGy% A 46 LEU HBx 1.0 1.8 4.47 828 572 A 46 LEU HBy A 53 VAL HGy% 1.0 1.8 4.47 829 573 A 46 LEU HDx% A 53 VAL HGx% 1.0 1.8 4.54 830 573 A 46 LEU HDy% A 53 VAL HGx% 1.0 1.8 4.54 831 573 A 53 VAL HGy% A 46 LEU HDy% 1.0 1.8 4.54 832 573 A 46 LEU HDx% A 53 VAL HGy% 1.0 1.8 4.54 833 574 A 47 ASN H A 47 ASN HBx 1.0 1.8 3.56 834 574 A 47 ASN H A 47 ASN HBy 1.0 1.8 3.56 835 575 A 48 LEU HDx% A 48 LEU HBy 1.0 1.8 3.33 836 575 A 48 LEU HDx% A 48 LEU HBx 1.0 1.8 3.33 837 576 A 53 VAL H A 48 LEU HBy 1.0 1.8 4.69 838 576 A 53 VAL H A 48 LEU HBx 1.0 1.8 4.69 839 577 A 48 LEU HBy A 53 VAL HGx% 1.0 1.8 3.65 840 577 A 48 LEU HBx A 53 VAL HGx% 1.0 1.8 3.65 841 577 A 53 VAL HGy% A 48 LEU HBy 1.0 1.8 3.65 842 577 A 53 VAL HGy% A 48 LEU HBx 1.0 1.8 3.65 843 578 A 50 GLU H A 50 GLU HGx 1.0 1.8 3.47 844 578 A 50 GLU H A 50 GLU HGy 1.0 1.8 3.47 845 579 A 50 GLU HA A 50 GLU HGx 1.0 1.8 3.48 846 579 A 50 GLU HA A 50 GLU HGy 1.0 1.8 3.48 847 580 A 51 ARG H A 50 GLU HGx 1.0 1.8 4.83 848 580 A 51 ARG H A 50 GLU HGy 1.0 1.8 4.83 849 581 A 51 ARG HA A 51 ARG HGx 1.0 1.8 3.47 850 581 A 51 ARG HA A 51 ARG HGy 1.0 1.8 3.47 851 582 A 51 ARG HA A 51 ARG HDx 1.0 1.8 3.96 852 582 A 51 ARG HA A 51 ARG HDy 1.0 1.8 3.96 853 583 A 51 ARG HA A 54 LYS HEx 1.0 1.8 4.15 854 583 A 51 ARG HA A 54 LYS HEy 1.0 1.8 4.15 855 584 A 51 ARG HBx A 52 GLN HGy 1.0 1.8 5.34 856 584 A 51 ARG HBy A 52 GLN HGy 1.0 1.8 5.34 857 584 A 52 GLN HGx A 51 ARG HBx 1.0 1.8 5.34 858 584 A 51 ARG HBy A 52 GLN HGx 1.0 1.8 5.34 859 585 A 52 GLN H A 52 GLN HGy 1.0 1.8 4.22 860 585 A 52 GLN H A 52 GLN HGx 1.0 1.8 4.22 861 586 A 52 GLN H A 53 VAL HGx% 1.0 1.8 4.28 862 586 A 52 GLN H A 53 VAL HGy% 1.0 1.8 4.28 863 587 A 53 VAL H A 53 VAL HGx% 1.0 1.8 3.49 864 587 A 53 VAL H A 53 VAL HGy% 1.0 1.8 3.49 865 588 A 54 LYS H A 53 VAL HGx% 1.0 1.8 3.22 866 588 A 54 LYS H A 53 VAL HGy% 1.0 1.8 3.22 867 589 A 54 LYS HA A 53 VAL HGx% 1.0 1.8 5.44 868 589 A 54 LYS HA A 53 VAL HGy% 1.0 1.8 5.44 869 590 A 54 LYS H A 54 LYS HBx 1.0 1.8 3.67 870 590 A 54 LYS H A 54 LYS HBy 1.0 1.8 3.67 871 591 A 54 LYS HBy A 54 LYS HEx 1.0 1.8 3.36 872 591 A 54 LYS HBx A 54 LYS HEx 1.0 1.8 3.36 873 591 A 54 LYS HEy A 54 LYS HBx 1.0 1.8 3.36 874 591 A 54 LYS HEy A 54 LYS HBy 1.0 1.8 3.36 875 592 A 55 ILE H A 54 LYS HBx 1.0 1.8 4.33 876 592 A 55 ILE H A 54 LYS HBy 1.0 1.8 4.33 877 593 A 55 ILE H A 54 LYS HEx 1.0 1.8 4.72 878 593 A 55 ILE H A 54 LYS HEy 1.0 1.8 4.72 879 594 A 56 TRP H A 56 TRP HBx 1.0 1.8 2.93 880 594 A 56 TRP H A 56 TRP HBy 1.0 1.8 2.93 881 595 A 57 PHE H A 57 PHE HBx 1.0 1.8 3.16 882 595 A 57 PHE H A 57 PHE HBy 1.0 1.8 3.16 883 596 A 58 GLN HA A 57 PHE HBx 1.0 1.8 4.25 884 596 A 58 GLN HA A 57 PHE HBy 1.0 1.8 4.25 885 597 A 58 GLN H A 58 GLN HGx 1.0 1.8 4.00 886 597 A 58 GLN H A 58 GLN HGy 1.0 1.8 4.00 887 598 A 58 GLN HA A 58 GLN HGx 1.0 1.8 3.28 888 598 A 58 GLN HA A 58 GLN HGy 1.0 1.8 3.28 889 599 A 58 GLN HBx A 62 MET HGx 1.0 1.8 5.34 890 599 A 58 GLN HBx A 62 MET HGy 1.0 1.8 5.34 891 600 A 59 ASN HA A 62 MET HGx 1.0 1.8 4.08 892 600 A 62 MET HGy A 59 ASN HA 1.0 1.8 4.08 893 601 A 59 ASN HBx A 62 MET HGx 1.0 1.8 4.84 894 601 A 59 ASN HBx A 62 MET HGy 1.0 1.8 4.84 895 602 A 61 ARG H A 60 ARG HBy 1.0 1.8 3.53 896 602 A 61 ARG H A 60 ARG HBx 1.0 1.8 3.53 897 603 A 61 ARG HA A 61 ARG HDx 1.0 1.8 3.73 898 603 A 61 ARG HA A 61 ARG HDy 1.0 1.8 3.73 899 604 A 61 ARG HA A 65 LYS HGx 1.0 1.8 4.24 900 604 A 61 ARG HA A 65 LYS HGy 1.0 1.8 4.24 901 605 A 61 ARG HBx A 61 ARG HDx 1.0 1.8 3.47 902 605 A 61 ARG HDy A 61 ARG HBx 1.0 1.8 3.47 903 605 A 61 ARG HBy A 61 ARG HDy 1.0 1.8 3.47 904 605 A 61 ARG HBy A 61 ARG HDx 1.0 1.8 3.47 905 606 A 61 ARG HBy A 65 LYS HGx 1.0 1.8 4.49 906 606 A 61 ARG HBx A 65 LYS HGx 1.0 1.8 4.49 907 606 A 65 LYS HGy A 61 ARG HBx 1.0 1.8 4.49 908 606 A 61 ARG HBy A 65 LYS HGy 1.0 1.8 4.49 909 607 A 62 MET H A 62 MET HGx 1.0 1.8 2.35 910 607 A 62 MET H A 62 MET HGy 1.0 1.8 2.35 911 608 A 62 MET HA A 62 MET HGx 1.0 1.8 3.47 912 608 A 62 MET HA A 62 MET HGy 1.0 1.8 3.47 913 609 A 62 MET HGy A 65 LYS HBx 1.0 1.8 4.74 914 609 A 62 MET HGx A 65 LYS HBx 1.0 1.8 4.74 915 609 A 65 LYS HBy A 62 MET HGx 1.0 1.8 4.74 916 609 A 65 LYS HBy A 62 MET HGy 1.0 1.8 4.74 917 610 A 63 LYS HBx A 63 LYS HEx 1.0 1.8 4.18 918 610 A 63 LYS HBy A 63 LYS HEx 1.0 1.8 4.18 919 610 A 63 LYS HEy A 63 LYS HBx 1.0 1.8 4.18 920 610 A 63 LYS HBy A 63 LYS HEy 1.0 1.8 4.18 921 611 A 64 MET H A 63 LYS HBx 1.0 1.8 3.64 922 611 A 64 MET H A 63 LYS HBy 1.0 1.8 3.64 923 612 A 64 MET HA A 63 LYS HEx 1.0 1.8 4.61 924 612 A 63 LYS HEy A 64 MET HA 1.0 1.8 4.61 925 613 A 63 LYS HEy A 64 MET HGx 1.0 1.8 3.57 926 613 A 63 LYS HEx A 64 MET HGx 1.0 1.8 3.57 927 613 A 64 MET HGy A 63 LYS HEx 1.0 1.8 3.57 928 613 A 63 LYS HEy A 64 MET HGy 1.0 1.8 3.57 929 614 A 64 MET H A 64 MET HGx 1.0 1.8 3.22 930 614 A 64 MET H A 64 MET HGy 1.0 1.8 3.22 931 615 A 65 LYS H A 65 LYS HGx 1.0 1.8 3.80 932 615 A 65 LYS H A 65 LYS HGy 1.0 1.8 3.80 933 616 A 65 LYS HA A 65 LYS HDx 1.0 1.8 3.24 934 616 A 65 LYS HA A 65 LYS HDy 1.0 1.8 3.24 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _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 18 LYS O A 22 LEU N 1.0 2.6 3.5 2 2 A 22 LEU H A 18 LYS O 1.0 1.6 2.5 3 3 A 19 TYR O A 23 GLU N 1.0 2.6 3.5 4 4 A 23 GLU H A 19 TYR O 1.0 1.6 2.5 5 5 A 20 GLN O A 24 LEU N 1.0 2.6 3.5 6 6 A 24 LEU H A 20 GLN O 1.0 1.6 2.5 7 7 A 23 GLU O A 27 GLU N 1.0 2.6 3.5 8 8 A 27 GLU H A 23 GLU O 1.0 1.6 2.5 9 9 A 36 ARG O A 40 TYR N 1.0 2.6 3.5 10 10 A 40 TYR H A 36 ARG O 1.0 1.6 2.5 11 11 A 37 ASP O A 41 GLU N 1.0 2.6 3.5 12 12 A 41 GLU H A 37 ASP O 1.0 1.6 2.5 13 13 A 38 ARG O A 42 VAL N 1.0 2.6 3.5 14 14 A 42 VAL H A 38 ARG O 1.0 1.6 2.5 15 15 A 39 ARG O A 43 ALA N 1.0 2.6 3.5 16 16 A 43 ALA H A 39 ARG O 1.0 1.6 2.5 17 17 A 40 TYR O A 44 ARG N 1.0 2.6 3.5 18 18 A 44 ARG H A 40 TYR O 1.0 1.6 2.5 19 19 A 41 GLU O A 45 VAL N 1.0 2.6 3.5 20 20 A 45 VAL H A 41 GLU O 1.0 1.6 2.5 21 21 A 52 GLN O A 56 TRP N 1.0 2.6 3.5 22 22 A 56 TRP H A 52 GLN O 1.0 1.6 2.5 23 23 A 53 VAL O A 57 PHE N 1.0 2.6 3.5 24 24 A 57 PHE H A 53 VAL O 1.0 1.6 2.5 25 25 A 55 ILE O A 59 ASN N 1.0 2.6 3.5 26 26 A 59 ASN H A 55 ILE O 1.0 1.6 2.5 27 27 A 56 TRP O A 60 ARG N 1.0 2.6 3.5 28 28 A 60 ARG H A 56 TRP O 1.0 1.6 2.5 29 29 A 57 PHE O A 61 ARG N 1.0 2.6 3.5 30 30 A 61 ARG H A 57 PHE O 1.0 1.6 2.5 31 31 A 59 ASN O A 63 LYS N 1.0 2.6 3.5 32 32 A 63 LYS H A 59 ASN O 1.0 1.6 2.5 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _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 15 PRO C A 16 TYR N A 16 TYR CA A 16 TYR C 1.0 -140.5 -54.9 PHI 2 2 A 16 TYR N A 16 TYR CA A 16 TYR C A 17 THR N 1.0 108.6 186.3 PSI 3 3 A 16 TYR C A 17 THR N A 17 THR CA A 17 THR C 1.0 -99.7 -59.7 PHI 4 4 A 17 THR N A 17 THR CA A 17 THR C A 18 LYS N 1.0 147.0 187.0 PSI 5 5 A 17 THR C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -81.9 -41.9 PHI 6 6 A 18 LYS N A 18 LYS CA A 18 LYS C A 19 TYR N 1.0 -57.8 -17.8 PSI 7 7 A 18 LYS C A 19 TYR N A 19 TYR CA A 19 TYR C 1.0 -82.9 -42.9 PHI 8 8 A 19 TYR N A 19 TYR CA A 19 TYR C A 20 GLN N 1.0 -65.7 -25.7 PSI 9 9 A 19 TYR C A 20 GLN N A 20 GLN CA A 20 GLN C 1.0 -84.8 -44.8 PHI 10 10 A 20 GLN N A 20 GLN CA A 20 GLN C A 21 THR N 1.0 -57.8 -17.8 PSI 11 11 A 20 GLN C A 21 THR N A 21 THR CA A 21 THR C 1.0 -82.1 -42.1 PHI 12 12 A 21 THR N A 21 THR CA A 21 THR C A 22 LEU N 1.0 -62.2 -22.2 PSI 13 13 A 21 THR C A 22 LEU N A 22 LEU CA A 22 LEU C 1.0 -81.4 -41.4 PHI 14 14 A 22 LEU N A 22 LEU CA A 22 LEU C A 23 GLU N 1.0 -62.6 -22.6 PSI 15 15 A 22 LEU C A 23 GLU N A 23 GLU CA A 23 GLU C 1.0 -82.8 -42.8 PHI 16 16 A 23 GLU N A 23 GLU CA A 23 GLU C A 24 LEU N 1.0 -62.1 -22.1 PSI 17 17 A 23 GLU C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -83.3 -43.3 PHI 18 18 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 GLU N 1.0 -60.9 -20.9 PSI 19 19 A 24 LEU C A 25 GLU N A 25 GLU CA A 25 GLU C 1.0 -80.5 -40.5 PHI 20 20 A 25 GLU N A 25 GLU CA A 25 GLU C A 26 LYS N 1.0 -63.5 -23.5 PSI 21 21 A 25 GLU C A 26 LYS N A 26 LYS CA A 26 LYS C 1.0 -86.1 -46.1 PHI 22 22 A 26 LYS N A 26 LYS CA A 26 LYS C A 27 GLU N 1.0 -58.6 -18.6 PSI 23 23 A 26 LYS C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -88.4 -48.4 PHI 24 24 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 PHE N 1.0 -58.7 -18.7 PSI 25 25 A 27 GLU C A 28 PHE N A 28 PHE CA A 28 PHE C 1.0 -84.0 -44.0 PHI 26 26 A 28 PHE N A 28 PHE CA A 28 PHE C A 29 LEU N 1.0 -64.4 -24.4 PSI 27 27 A 28 PHE C A 29 LEU N A 29 LEU CA A 29 LEU C 1.0 -86.0 -46.0 PHI 28 28 A 29 LEU N A 29 LEU CA A 29 LEU C A 30 PHE N 1.0 -61.3 -6.5 PSI 29 29 A 29 LEU C A 30 PHE N A 30 PHE CA A 30 PHE C 1.0 -104.7 -51.3 PHI 30 30 A 30 PHE N A 30 PHE CA A 30 PHE C A 31 ASN N 1.0 -61.0 2.7 PSI 31 31 A 30 PHE C A 31 ASN N A 31 ASN CA A 31 ASN C 1.0 -127.0 -37.1 PHI 32 32 A 31 ASN N A 31 ASN CA A 31 ASN C A 32 MET N 1.0 -68.7 23.5 PSI 33 33 A 31 ASN C A 32 MET N A 32 MET CA A 32 MET C 1.0 -116.1 -55.1 PHI 34 34 A 32 MET N A 32 MET CA A 32 MET C A 33 TYR N 1.0 -61.8 19.0 PSI 35 35 A 33 TYR C A 34 LEU N A 34 LEU CA A 34 LEU C 1.0 -143.6 -59.7 PHI 36 36 A 34 LEU N A 34 LEU CA A 34 LEU C A 35 THR N 1.0 115.2 179.8 PSI 37 37 A 34 LEU C A 35 THR N A 35 THR CA A 35 THR C 1.0 -119.9 -59.8 PHI 38 38 A 35 THR N A 35 THR CA A 35 THR C A 36 ARG N 1.0 146.6 186.6 PSI 39 39 A 35 THR C A 36 ARG N A 36 ARG CA A 36 ARG C 1.0 -80.8 -40.8 PHI 40 40 A 36 ARG N A 36 ARG CA A 36 ARG C A 37 ASP N 1.0 -58.8 -18.8 PSI 41 41 A 36 ARG C A 37 ASP N A 37 ASP CA A 37 ASP C 1.0 -81.3 -41.3 PHI 42 42 A 37 ASP N A 37 ASP CA A 37 ASP C A 38 ARG N 1.0 -60.3 -20.3 PSI 43 43 A 37 ASP C A 38 ARG N A 38 ARG CA A 38 ARG C 1.0 -88.5 -48.5 PHI 44 44 A 38 ARG N A 38 ARG CA A 38 ARG C A 39 ARG N 1.0 -60.9 -20.9 PSI 45 45 A 38 ARG C A 39 ARG N A 39 ARG CA A 39 ARG C 1.0 -79.4 -39.4 PHI 46 46 A 39 ARG N A 39 ARG CA A 39 ARG C A 40 TYR N 1.0 -65.9 -25.9 PSI 47 47 A 39 ARG C A 40 TYR N A 40 TYR CA A 40 TYR C 1.0 -82.0 -42.0 PHI 48 48 A 40 TYR N A 40 TYR CA A 40 TYR C A 41 GLU N 1.0 -59.0 -19.0 PSI 49 49 A 40 TYR C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -85.4 -45.4 PHI 50 50 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 VAL N 1.0 -61.7 -21.7 PSI 51 51 A 41 GLU C A 42 VAL N A 42 VAL CA A 42 VAL C 1.0 -82.5 -42.5 PHI 52 52 A 42 VAL N A 42 VAL CA A 42 VAL C A 43 ALA N 1.0 -61.1 -21.1 PSI 53 53 A 42 VAL C A 43 ALA N A 43 ALA CA A 43 ALA C 1.0 -81.8 -41.8 PHI 54 54 A 43 ALA N A 43 ALA CA A 43 ALA C A 44 ARG N 1.0 -60.8 -20.8 PSI 55 55 A 43 ALA C A 44 ARG N A 44 ARG CA A 44 ARG C 1.0 -82.4 -42.4 PHI 56 56 A 44 ARG N A 44 ARG CA A 44 ARG C A 45 VAL N 1.0 -63.5 -23.5 PSI 57 57 A 44 ARG C A 45 VAL N A 45 VAL CA A 45 VAL C 1.0 -87.7 -46.0 PHI 58 58 A 45 VAL N A 45 VAL CA A 45 VAL C A 46 LEU N 1.0 -64.4 -24.4 PSI 59 59 A 45 VAL C A 46 LEU N A 46 LEU CA A 46 LEU C 1.0 -116.1 -76.1 PHI 60 60 A 46 LEU N A 46 LEU CA A 46 LEU C A 47 ASN N 1.0 -27.7 25.5 PSI 61 61 A 46 LEU C A 47 ASN N A 47 ASN CA A 47 ASN C 1.0 32.4 106.7 PHI 62 62 A 47 ASN N A 47 ASN CA A 47 ASN C A 48 LEU N 1.0 -15.0 70.8 PSI 63 63 A 47 ASN C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -153.3 -74.3 PHI 64 64 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 THR N 1.0 138.8 178.8 PSI 65 65 A 48 LEU C A 49 THR N A 49 THR CA A 49 THR C 1.0 -122.3 -47.0 PHI 66 66 A 49 THR N A 49 THR CA A 49 THR C A 50 GLU N 1.0 145.1 185.1 PSI 67 67 A 49 THR C A 50 GLU N A 50 GLU CA A 50 GLU C 1.0 -80.1 -40.1 PHI 68 68 A 50 GLU N A 50 GLU CA A 50 GLU C A 51 ARG N 1.0 -59.4 -19.4 PSI 69 69 A 50 GLU C A 51 ARG N A 51 ARG CA A 51 ARG C 1.0 -85.2 -45.2 PHI 70 70 A 51 ARG N A 51 ARG CA A 51 ARG C A 52 GLN N 1.0 -63.5 -23.5 PSI 71 71 A 51 ARG C A 52 GLN N A 52 GLN CA A 52 GLN C 1.0 -83.6 -43.6 PHI 72 72 A 52 GLN N A 52 GLN CA A 52 GLN C A 53 VAL N 1.0 -59.4 -19.4 PSI 73 73 A 52 GLN C A 53 VAL N A 53 VAL CA A 53 VAL C 1.0 -88.0 -48.0 PHI 74 74 A 53 VAL N A 53 VAL CA A 53 VAL C A 54 LYS N 1.0 -61.7 -21.7 PSI 75 75 A 53 VAL C A 54 LYS N A 54 LYS CA A 54 LYS C 1.0 -79.0 -39.0 PHI 76 76 A 54 LYS N A 54 LYS CA A 54 LYS C A 55 ILE N 1.0 -62.1 -22.1 PSI 77 77 A 54 LYS C A 55 ILE N A 55 ILE CA A 55 ILE C 1.0 -85.9 -45.9 PHI 78 78 A 55 ILE N A 55 ILE CA A 55 ILE C A 56 TRP N 1.0 -59.2 -19.2 PSI 79 79 A 55 ILE C A 56 TRP N A 56 TRP CA A 56 TRP C 1.0 -84.7 -44.7 PHI 80 80 A 56 TRP N A 56 TRP CA A 56 TRP C A 57 PHE N 1.0 -57.5 -17.5 PSI 81 81 A 56 TRP C A 57 PHE N A 57 PHE CA A 57 PHE C 1.0 -82.1 -42.1 PHI 82 82 A 57 PHE N A 57 PHE CA A 57 PHE C A 58 GLN N 1.0 -62.3 -22.3 PSI 83 83 A 57 PHE C A 58 GLN N A 58 GLN CA A 58 GLN C 1.0 -82.8 -42.8 PHI 84 84 A 58 GLN N A 58 GLN CA A 58 GLN C A 59 ASN N 1.0 -61.8 -21.8 PSI 85 85 A 58 GLN C A 59 ASN N A 59 ASN CA A 59 ASN C 1.0 -86.7 -46.7 PHI 86 86 A 59 ASN N A 59 ASN CA A 59 ASN C A 60 ARG N 1.0 -59.8 -19.8 PSI 87 87 A 59 ASN C A 60 ARG N A 60 ARG CA A 60 ARG C 1.0 -84.6 -44.6 PHI 88 88 A 60 ARG N A 60 ARG CA A 60 ARG C A 61 ARG N 1.0 -62.5 -22.5 PSI 89 89 A 60 ARG C A 61 ARG N A 61 ARG CA A 61 ARG C 1.0 -82.9 -42.9 PHI 90 90 A 61 ARG N A 61 ARG CA A 61 ARG C A 62 MET N 1.0 -61.1 -21.1 PSI 91 91 A 61 ARG C A 62 MET N A 62 MET CA A 62 MET C 1.0 -83.7 -43.7 PHI 92 92 A 62 MET N A 62 MET CA A 62 MET C A 63 LYS N 1.0 -57.9 -10.6 PSI 93 93 A 62 MET C A 63 LYS N A 63 LYS CA A 63 LYS C 1.0 -89.5 -46.8 PHI 94 94 A 63 LYS N A 63 LYS CA A 63 LYS C A 64 MET N 1.0 -58.4 -7.4 PSI 95 95 A 63 LYS C A 64 MET N A 64 MET CA A 64 MET C 1.0 -85.2 -45.2 PHI 96 96 A 64 MET N A 64 MET CA A 64 MET C A 65 LYS N 1.0 -60.8 -10.2 PSI 97 97 A 64 MET C A 65 LYS N A 65 LYS CA A 65 LYS C 1.0 -116.0 -40.6 PHI 98 98 A 65 LYS N A 65 LYS CA A 65 LYS C A 66 LYS N 1.0 -70.4 16.8 PSI 99 99 A 65 LYS C A 66 LYS N A 66 LYS CA A 66 LYS C 1.0 -123.3 -71.2 PHI 100 100 A 66 LYS N A 66 LYS CA A 66 LYS C A 67 MET N 1.0 -34.8 31.5 PSI stop_ save_