data_nef_c18400_2lrx save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 ARG start . . 2 A 2 GLN middle . . 3 A 3 PRO middle . false 4 A 4 ARG middle . . 5 A 5 PRO middle . false 6 A 6 ALA middle . . 7 A 7 LYS middle . . 8 A 8 TYR middle . . 9 A 9 LYS middle . . 10 A 10 PHE middle . . 11 A 11 THR middle . . 12 A 12 ASP middle . . 13 A 13 VAL middle . . 14 A 14 ASN middle . . 15 A 15 GLY middle . false 16 A 16 GLU middle . . 17 A 17 THR middle . . 18 A 18 LYS middle . . 19 A 19 THR middle . . 20 A 20 TRP middle . . 21 A 21 THR middle . . 22 A 22 GLY middle . false 23 A 23 GLN middle . . 24 A 24 GLY middle . false 25 A 25 ARG middle . . 26 A 26 THR middle . . 27 A 27 PRO middle . false 28 A 28 LYS middle . . 29 A 29 PRO middle . false 30 A 30 ILE middle . . 31 A 31 ALA middle . . 32 A 32 GLN middle . . 33 A 33 ALA middle . . 34 A 34 LEU middle . . 35 A 35 ALA middle . . 36 A 36 GLU middle . . 37 A 37 GLY middle . false 38 A 38 LYS middle . . 39 A 39 SER middle . . 40 A 40 LEU middle . . 41 A 41 ASP middle . . 42 A 42 ASP middle . . 43 A 43 PHE middle . . 44 A 44 LEU middle . . 45 A 45 ILE 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 ARG HA H 1 4.046 . A 1 ARG HDx H 1 1.921 . A 1 ARG HDy H 1 1.921 . A 1 ARG HGx H 1 1.664 . A 1 ARG HGy H 1 1.664 . A 1 ARG C C 13 176.616 . A 1 ARG CA C 13 55.659 . A 1 ARG CD C 13 28.335 . A 2 GLN H H 1 8.573 . A 2 GLN HA H 1 4.665 . A 2 GLN HBy H 1 2.442 . A 2 GLN HBx H 1 2.120 . A 2 GLN HE2y H 1 7.571 . A 2 GLN HE2x H 1 6.907 . A 2 GLN HGx H 1 2.445 . A 2 GLN HGy H 1 2.445 . A 2 GLN CA C 13 53.740 . A 2 GLN CB C 13 28.509 . A 2 GLN CG C 13 33.596 . A 2 GLN N N 15 122.420 . A 2 GLN NE2 N 15 112.896 . A 3 PRO HA H 1 4.464 . A 3 PRO HBx H 1 1.884 . A 3 PRO HBy H 1 2.308 . A 3 PRO HDx H 1 3.680 . A 3 PRO HDy H 1 3.834 . A 3 PRO HGx H 1 1.964 . A 3 PRO HGy H 1 1.964 . A 3 PRO C C 13 177.173 . A 3 PRO CA C 13 62.946 . A 3 PRO CB C 13 32.109 . A 3 PRO CD C 13 50.873 . A 3 PRO CG C 13 27.207 . A 4 ARG H H 1 8.438 . A 4 ARG HA H 1 4.578 . A 4 ARG HBx H 1 1.698 . A 4 ARG HBy H 1 1.871 . A 4 ARG HDy H 1 3.189 . A 4 ARG HGx H 1 1.647 . A 4 ARG HGy H 1 1.647 . A 4 ARG CA C 13 53.646 . A 4 ARG CB C 13 29.634 . A 4 ARG CG C 13 26.823 . A 4 ARG N N 15 122.684 . A 5 PRO HA H 1 4.400 . A 5 PRO HBx H 1 1.845 . A 5 PRO HBy H 1 2.252 . A 5 PRO HDx H 1 3.597 . A 5 PRO HDy H 1 3.756 . A 5 PRO HGx H 1 1.953 . A 5 PRO HGy H 1 1.953 . A 5 PRO C C 13 177.137 . A 5 PRO CA C 13 62.490 . A 5 PRO CB C 13 31.928 . A 5 PRO CD C 13 50.694 . A 6 ALA H H 1 8.360 . A 6 ALA HA H 1 3.919 . A 6 ALA HB% H 1 1.321 . A 6 ALA C C 13 176.845 . A 6 ALA CA C 13 53.270 . A 6 ALA CB C 13 19.045 . A 6 ALA N N 15 123.540 . A 7 LYS H H 1 7.691 . A 7 LYS HA H 1 4.306 . A 7 LYS HBx H 1 1.217 . A 7 LYS HBy H 1 1.359 . A 7 LYS HDx H 1 1.419 . A 7 LYS HDy H 1 1.435 . A 7 LYS HEx H 1 2.810 . A 7 LYS HEy H 1 2.810 . A 7 LYS HGy H 1 1.067 . A 7 LYS HGx H 1 0.652 . A 7 LYS C C 13 175.113 . A 7 LYS CA C 13 56.621 . A 7 LYS CB C 13 36.158 . A 7 LYS CD C 13 29.263 . A 7 LYS CE C 13 42.079 . A 7 LYS CG C 13 25.770 . A 7 LYS N N 15 121.074 . A 8 TYR H H 1 8.349 . A 8 TYR HA H 1 5.660 . A 8 TYR HBx H 1 3.009 . A 8 TYR HBy H 1 3.357 . A 8 TYR HDx H 1 6.737 . A 8 TYR HDy H 1 6.737 . A 8 TYR HEx H 1 6.527 . A 8 TYR HEy H 1 6.527 . A 8 TYR C C 13 175.278 . A 8 TYR CA C 13 56.011 . A 8 TYR CB C 13 42.531 . A 8 TYR CDx C 13 133.139 . A 8 TYR CDy C 13 133.139 . A 8 TYR CEx C 13 118.139 . A 8 TYR CEy C 13 118.139 . A 8 TYR N N 15 117.325 . A 9 LYS H H 1 9.648 . A 9 LYS HA H 1 5.647 . A 9 LYS HBx H 1 1.770 . A 9 LYS HBy H 1 1.770 . A 9 LYS HDx H 1 1.629 . A 9 LYS HDy H 1 1.629 . A 9 LYS HEx H 1 2.951 . A 9 LYS HEy H 1 2.951 . A 9 LYS HGx H 1 1.410 . A 9 LYS HGy H 1 1.410 . A 9 LYS C C 13 174.978 . A 9 LYS CA C 13 54.767 . A 9 LYS CB C 13 36.033 . A 9 LYS CE C 13 42.235 . A 9 LYS CG C 13 23.953 . A 9 LYS N N 15 120.812 . A 10 PHE H H 1 8.890 . A 10 PHE HA H 1 5.220 . A 10 PHE HBx H 1 3.055 . A 10 PHE HBy H 1 3.081 . A 10 PHE HDx H 1 6.800 . A 10 PHE HDy H 1 6.800 . A 10 PHE HEy H 1 7.073 . A 10 PHE HEx H 1 7.017 . A 10 PHE HZ H 1 7.259 . A 10 PHE C C 13 172.698 . A 10 PHE CA C 13 55.854 . A 10 PHE CB C 13 40.607 . A 10 PHE CDx C 13 132.523 . A 10 PHE CDy C 13 132.523 . A 10 PHE CEx C 13 130.325 . A 10 PHE N N 15 118.595 . A 11 THR H H 1 8.904 . A 11 THR HA H 1 4.745 . A 11 THR HB H 1 3.996 . A 11 THR HG2% H 1 1.232 . A 11 THR C C 13 175.071 . A 11 THR CA C 13 61.667 . A 11 THR CB C 13 69.324 . A 11 THR CG2 C 13 21.757 . A 11 THR N N 15 117.249 . A 12 ASP H H 1 8.993 . A 12 ASP HA H 1 4.903 . A 12 ASP HBx H 1 2.905 . A 12 ASP C C 13 179.041 . A 12 ASP CA C 13 52.773 . A 12 ASP CB C 13 38.879 . A 12 ASP N N 15 127.813 . A 13 VAL H H 1 8.950 . A 13 VAL HA H 1 3.990 . A 13 VAL HB H 1 2.253 . A 13 VAL HGx% H 1 1.010 . A 13 VAL HGy% H 1 1.028 . A 13 VAL C C 13 176.796 . A 13 VAL CA C 13 64.349 . A 13 VAL CB C 13 31.652 . A 13 VAL CGx C 13 20.018 . A 13 VAL CGy C 13 20.862 . A 13 VAL N N 15 117.388 . A 14 ASN H H 1 8.011 . A 14 ASN HA H 1 4.781 . A 14 ASN HBx H 1 2.938 . A 14 ASN HBy H 1 3.090 . A 14 ASN HD2y H 1 7.772 . A 14 ASN HD2x H 1 6.955 . A 14 ASN C C 13 176.606 . A 14 ASN CB C 13 38.851 . A 14 ASN N N 15 117.303 . A 14 ASN ND2 N 15 113.224 . A 15 GLY H H 1 8.288 . A 15 GLY HAy H 1 4.253 . A 15 GLY HAx H 1 3.545 . A 15 GLY C C 13 174.799 . A 15 GLY CA C 13 45.246 . A 15 GLY N N 15 108.443 . A 16 GLU H H 1 8.045 . A 16 GLU HA H 1 4.373 . A 16 GLU HBy H 1 2.197 . A 16 GLU HBx H 1 1.999 . A 16 GLU HGx H 1 2.139 . A 16 GLU HGy H 1 2.230 . A 16 GLU C C 13 176.564 . A 16 GLU CA C 13 55.798 . A 16 GLU CB C 13 30.932 . A 16 GLU CG C 13 36.175 . A 16 GLU N N 15 122.005 . A 17 THR H H 1 8.758 . A 17 THR HA H 1 4.583 . A 17 THR HB H 1 3.981 . A 17 THR HG2% H 1 1.133 . A 17 THR C C 13 174.583 . A 17 THR CA C 13 63.471 . A 17 THR CB C 13 69.004 . A 17 THR CG2 C 13 21.865 . A 17 THR N N 15 120.458 . A 18 LYS H H 1 8.848 . A 18 LYS HA H 1 4.581 . A 18 LYS HBx H 1 0.512 . A 18 LYS HBy H 1 1.496 . A 18 LYS HDx H 1 1.641 . A 18 LYS HDy H 1 1.763 . A 18 LYS HEx H 1 2.971 . A 18 LYS HEy H 1 2.971 . A 18 LYS HGx H 1 1.152 . A 18 LYS HGy H 1 1.274 . A 18 LYS C C 13 174.995 . A 18 LYS CB C 13 36.219 . A 18 LYS CD C 13 28.552 . A 18 LYS CE C 13 42.467 . A 18 LYS CG C 13 24.872 . A 18 LYS N N 15 129.000 . A 19 THR H H 1 8.023 . A 19 THR HA H 1 5.662 . A 19 THR HB H 1 4.370 . A 19 THR HG2% H 1 1.167 . A 19 THR C C 13 175.135 . A 19 THR CA C 13 59.541 . A 19 THR CB C 13 72.571 . A 19 THR CG2 C 13 21.269 . A 19 THR N N 15 107.308 . A 20 TRP H H 1 9.317 . A 20 TRP HA H 1 5.793 . A 20 TRP HBx H 1 3.280 . A 20 TRP HBy H 1 3.380 . A 20 TRP HD1 H 1 8.078 . A 20 TRP HE1 H 1 10.256 . A 20 TRP HE3 H 1 6.988 . A 20 TRP HH2 H 1 7.098 . A 20 TRP HZ2 H 1 7.058 . A 20 TRP HZ3 H 1 6.548 . A 20 TRP CA C 13 55.233 . A 20 TRP CB C 13 33.193 . A 20 TRP CD1 C 13 127.883 . A 20 TRP CE3 C 13 120.426 . A 20 TRP CH2 C 13 126.318 . A 20 TRP CZ2 C 13 116.139 . A 20 TRP CZ3 C 13 122.341 . A 20 TRP N N 15 120.113 . A 20 TRP NE1 N 15 134.205 . A 21 THR H H 1 8.449 . A 21 THR HA H 1 4.280 . A 21 THR HB H 1 4.280 . A 21 THR HG2% H 1 1.315 . A 21 THR CA C 13 62.844 . A 21 THR CB C 13 70.918 . A 21 THR CG2 C 13 21.675 . A 22 GLY H H 1 7.928 . A 22 GLY HAy H 1 3.726 . A 22 GLY HAx H 1 0.857 . A 22 GLY C C 13 172.841 . A 22 GLY CA C 13 44.229 . A 23 GLN H H 1 7.141 . A 23 GLN HA H 1 4.533 . A 23 GLN HBx H 1 1.761 . A 23 GLN HBy H 1 2.082 . A 23 GLN HE2y H 1 7.518 . A 23 GLN HE2x H 1 6.852 . A 23 GLN HGx H 1 2.183 . A 23 GLN HGy H 1 2.183 . A 23 GLN C C 13 176.979 . A 23 GLN CA C 13 54.099 . A 23 GLN CB C 13 30.565 . A 23 GLN CG C 13 33.495 . A 23 GLN N N 15 117.973 . A 23 GLN NE2 N 15 112.938 . A 24 GLY H H 1 8.841 . A 24 GLY HAy H 1 4.284 . A 24 GLY HAx H 1 3.824 . A 24 GLY C C 13 174.510 . A 24 GLY CA C 13 44.906 . A 24 GLY N N 15 111.998 . A 25 ARG H H 1 8.444 . A 25 ARG HA H 1 4.179 . A 25 ARG HBx H 1 1.702 . A 25 ARG HBy H 1 1.702 . A 25 ARG HDx H 1 3.172 . A 25 ARG HDy H 1 3.172 . A 25 ARG HGx H 1 1.551 . A 25 ARG HGy H 1 1.684 . A 25 ARG C C 13 177.025 . A 25 ARG CA C 13 56.285 . A 25 ARG CB C 13 29.885 . A 25 ARG CD C 13 43.211 . A 25 ARG CG C 13 27.333 . A 25 ARG N N 15 121.958 . A 26 THR H H 1 8.369 . A 26 THR HA H 1 3.226 . A 26 THR HB H 1 3.577 . A 26 THR HG2% H 1 0.633 . A 26 THR CA C 13 60.422 . A 26 THR CB C 13 69.088 . A 26 THR CG2 C 13 20.889 . A 26 THR N N 15 122.468 . A 27 PRO HA H 1 3.867 . A 27 PRO HBx H 1 0.255 . A 27 PRO HBy H 1 1.705 . A 27 PRO HDx H 1 1.297 . A 27 PRO HGx H 1 0.747 . A 27 PRO HGy H 1 1.199 . A 27 PRO C C 13 177.571 . A 27 PRO CA C 13 62.174 . A 27 PRO CB C 13 32.818 . A 27 PRO CG C 13 27.301 . A 28 LYS H H 1 8.903 . A 28 LYS HA H 1 3.925 . A 28 LYS HBx H 1 1.833 . A 28 LYS HBy H 1 1.833 . A 28 LYS HDx H 1 1.647 . A 28 LYS HDy H 1 1.647 . A 28 LYS HGx H 1 1.339 . A 28 LYS HGy H 1 1.495 . A 28 LYS CA C 13 60.815 . A 28 LYS CD C 13 29.487 . A 28 LYS CG C 13 25.133 . A 28 LYS N N 15 126.298 . A 29 PRO HA H 1 4.289 . A 29 PRO HBx H 1 1.369 . A 29 PRO HBy H 1 2.563 . A 29 PRO HDx H 1 2.784 . A 29 PRO HDy H 1 3.827 . A 29 PRO HGx H 1 2.029 . A 29 PRO HGy H 1 2.204 . A 29 PRO C C 13 180.695 . A 29 PRO CA C 13 65.875 . A 29 PRO CB C 13 31.770 . A 29 PRO CD C 13 50.864 . A 29 PRO CG C 13 27.342 . A 30 ILE H H 1 6.051 . A 30 ILE HA H 1 3.021 . A 30 ILE HB H 1 0.860 . A 30 ILE HD1% H 1 0.159 . A 30 ILE HG1x H 1 -0.637 . A 30 ILE HG1y H 1 0.312 . A 30 ILE HG2% H 1 0.115 . A 30 ILE C C 13 176.633 . A 30 ILE CA C 13 63.949 . A 30 ILE CB C 13 36.650 . A 30 ILE CD1 C 13 12.289 . A 30 ILE CG2 C 13 16.469 . A 30 ILE N N 15 114.387 . A 31 ALA H H 1 7.922 . A 31 ALA HA H 1 3.720 . A 31 ALA HB% H 1 1.190 . A 31 ALA C C 13 181.571 . A 31 ALA CA C 13 55.456 . A 31 ALA CB C 13 17.825 . A 31 ALA N N 15 123.060 . A 32 GLN H H 1 8.438 . A 32 GLN HA H 1 3.934 . A 32 GLN HBx H 1 1.896 . A 32 GLN HBy H 1 2.050 . A 32 GLN HE2y H 1 7.702 . A 32 GLN HE2x H 1 6.794 . A 32 GLN HGx H 1 2.306 . A 32 GLN HGy H 1 2.356 . A 32 GLN C C 13 178.025 . A 32 GLN CA C 13 58.424 . A 32 GLN CB C 13 28.285 . A 32 GLN CG C 13 33.658 . A 32 GLN N N 15 117.568 . A 32 GLN NE2 N 15 112.486 . A 33 ALA H H 1 7.099 . A 33 ALA HA H 1 4.282 . A 33 ALA HB% H 1 1.710 . A 33 ALA C C 13 181.426 . A 33 ALA CA C 13 55.082 . A 33 ALA CB C 13 18.720 . A 33 ALA N N 15 121.972 . A 34 LEU H H 1 8.538 . A 34 LEU HA H 1 4.297 . A 34 LEU HBx H 1 1.565 . A 34 LEU HBy H 1 1.757 . A 34 LEU HD11 H 1 0.751 . A 34 LEU HD12 H 1 0.753 . A 34 LEU HD13 H 1 0.753 . A 34 LEU HG H 1 1.754 . A 34 LEU C C 13 182.198 . A 34 LEU CA C 13 57.310 . A 34 LEU CB C 13 40.490 . A 34 LEU CDy C 13 24.875 . A 34 LEU CDx C 13 22.678 . A 34 LEU CG C 13 27.207 . A 34 LEU N N 15 119.898 . A 35 ALA H H 1 7.741 . A 35 ALA HA H 1 4.222 . A 35 ALA HB% H 1 1.531 . A 35 ALA C C 13 179.762 . A 35 ALA CA C 13 54.226 . A 35 ALA CB C 13 17.744 . A 35 ALA N N 15 122.660 . A 36 GLU H H 1 7.496 . A 36 GLU HA H 1 4.403 . A 36 GLU HBx H 1 2.201 . A 36 GLU HBy H 1 2.299 . A 36 GLU HGx H 1 2.319 . A 36 GLU HGy H 1 2.540 . A 36 GLU C C 13 177.531 . A 36 GLU CA C 13 55.856 . A 36 GLU CB C 13 29.741 . A 36 GLU CG C 13 36.204 . A 36 GLU N N 15 116.640 . A 37 GLY H H 1 7.802 . A 37 GLY HAy H 1 4.436 . A 37 GLY HAx H 1 3.802 . A 37 GLY C C 13 176.072 . A 37 GLY CA C 13 45.369 . A 37 GLY N N 15 106.885 . A 38 LYS H H 1 7.935 . A 38 LYS HA H 1 4.479 . A 38 LYS HBx H 1 1.559 . A 38 LYS HBy H 1 2.176 . A 38 LYS HDx H 1 1.695 . A 38 LYS HDy H 1 1.695 . A 38 LYS HEx H 1 3.030 . A 38 LYS HEy H 1 3.030 . A 38 LYS HGy H 1 1.649 . A 38 LYS HGx H 1 1.522 . A 38 LYS C C 13 174.921 . A 38 LYS CA C 13 55.927 . A 38 LYS CB C 13 31.850 . A 38 LYS CD C 13 28.405 . A 38 LYS CE C 13 42.412 . A 38 LYS CG C 13 26.012 . A 38 LYS N N 15 120.419 . A 39 SER H H 1 8.579 . A 39 SER HA H 1 4.812 . A 39 SER HBx H 1 3.813 . A 39 SER HBy H 1 3.996 . A 39 SER C C 13 176.690 . A 39 SER CA C 13 56.473 . A 39 SER CB C 13 65.933 . A 39 SER N N 15 114.172 . A 40 LEU H H 1 9.038 . A 40 LEU HA H 1 4.201 . A 40 LEU HBx H 1 1.706 . A 40 LEU HBy H 1 1.769 . A 40 LEU HDx% H 1 0.761 . A 40 LEU HDy% H 1 0.707 . A 40 LEU HG H 1 1.737 . A 40 LEU C C 13 179.329 . A 40 LEU CA C 13 58.049 . A 40 LEU CB C 13 41.038 . A 40 LEU CDx C 13 24.116 . A 40 LEU N N 15 126.212 . A 41 ASP H H 1 8.217 . A 41 ASP HA H 1 4.580 . A 41 ASP HBx H 1 2.606 . A 41 ASP HBy H 1 2.774 . A 41 ASP C C 13 179.063 . A 41 ASP CA C 13 56.353 . A 41 ASP CB C 13 40.217 . A 41 ASP N N 15 115.700 . A 42 ASP H H 1 7.959 . A 42 ASP HA H 1 4.422 . A 42 ASP HBx H 1 2.366 . A 42 ASP HBy H 1 2.709 . A 42 ASP C C 13 177.484 . A 42 ASP CB C 13 40.234 . A 42 ASP N N 15 119.466 . A 43 PHE H H 1 8.320 . A 43 PHE HA H 1 4.873 . A 43 PHE HBx H 1 3.227 . A 43 PHE HBy H 1 4.185 . A 43 PHE HDx H 1 7.837 . A 43 PHE HDy H 1 7.837 . A 43 PHE HEx H 1 7.271 . A 43 PHE HEy H 1 7.271 . A 43 PHE HZ H 1 7.125 . A 43 PHE C C 13 175.641 . A 43 PHE CA C 13 58.196 . A 43 PHE CB C 13 39.344 . A 43 PHE CDx C 13 132.938 . A 43 PHE CDy C 13 132.938 . A 43 PHE CEx C 13 130.766 . A 43 PHE CEy C 13 130.766 . A 43 PHE CZ C 13 129.276 . A 43 PHE N N 15 117.109 . A 44 LEU H H 1 7.387 . A 44 LEU HA H 1 4.428 . A 44 LEU HBx H 1 1.621 . A 44 LEU HBy H 1 1.817 . A 44 LEU HDx% H 1 0.786 . A 44 LEU HDy% H 1 1.016 . A 44 LEU HG H 1 1.949 . A 44 LEU C C 13 178.294 . A 44 LEU CA C 13 56.434 . A 44 LEU CB C 13 42.835 . A 44 LEU CDx C 13 24.251 . A 44 LEU CDy C 13 24.251 . A 44 LEU N N 15 122.188 . A 45 ILE H H 1 7.727 . A 45 ILE HA H 1 3.736 . A 45 ILE HB H 1 1.444 . A 45 ILE HD1% H 1 0.740 . A 45 ILE HG2% H 1 0.885 . A 45 ILE CA C 13 64.768 . A 45 ILE CB C 13 39.269 . A 45 ILE CD1 C 13 14.324 . A 45 ILE CG1 C 13 29.379 . A 45 ILE CG2 C 13 17.689 . A 45 ILE N N 15 127.639 . 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 1 ARG HA A 1 ARG HDx 1.0 1.8 6.5 2 1 A 1 ARG HA A 1 ARG HDy 1.0 1.8 6.5 3 2 A 1 ARG HA A 1 ARG HGx 1.0 1.8 6.5 4 2 A 1 ARG HA A 1 ARG HGy 1.0 1.8 6.5 5 3 A 2 GLN HA A 3 PRO HDy 1.0 1.8 6.5 6 4 A 2 GLN HA A 3 PRO HDx 1.0 1.8 6.5 7 5 A 2 GLN HA A 2 GLN HBx 1.0 1.8 6.5 8 6 A 2 GLN HBx A 3 PRO HDx 1.0 1.8 6.5 9 7 A 2 GLN HBx A 3 PRO HDy 1.0 1.8 6.5 10 8 A 2 GLN HA A 2 GLN HBy 1.0 1.8 6.5 11 9 A 2 GLN HBy A 3 PRO HDx 1.0 1.8 6.5 12 10 A 2 GLN HBy A 3 PRO HDy 1.0 1.8 6.5 13 11 A 2 GLN HBy A 2 GLN HGx 1.0 1.8 6.5 14 11 A 2 GLN HBy A 2 GLN HGy 1.0 1.8 6.5 15 12 A 2 GLN HA A 2 GLN HGx 1.0 1.8 6.5 16 12 A 2 GLN HA A 2 GLN HGy 1.0 1.8 6.5 17 13 A 2 GLN HBx A 2 GLN HGx 1.0 1.8 6.5 18 13 A 2 GLN HBx A 2 GLN HGy 1.0 1.8 6.5 19 14 A 3 PRO HDx A 2 GLN HGx 1.0 1.8 6.5 20 14 A 2 GLN HGy A 3 PRO HDx 1.0 1.8 6.5 21 15 A 2 GLN HGx A 3 PRO HDy 1.0 1.8 6.5 22 15 A 2 GLN HGy A 3 PRO HDy 1.0 1.8 6.5 23 16 A 3 PRO HA A 3 PRO HBy 1.0 1.8 6.5 24 17 A 3 PRO HA A 3 PRO HGx 1.0 1.8 6.5 25 17 A 3 PRO HA A 3 PRO HGy 1.0 1.8 6.5 26 18 A 3 PRO HA A 3 PRO HBy 1.0 1.8 6.5 27 18 A 3 PRO HA A 3 PRO HBx 1.0 1.8 6.5 28 19 A 3 PRO HA A 4 ARG H 1.0 1.8 6.5 29 20 A 3 PRO HA A 4 ARG HBx 1.0 1.8 6.5 30 21 A 3 PRO HBx A 3 PRO HBy 1.0 1.8 6.5 31 22 A 3 PRO HA A 3 PRO HBy 1.0 1.8 6.5 32 23 A 3 PRO HDx A 3 PRO HBy 1.0 1.8 6.5 33 24 A 3 PRO HA A 3 PRO HBx 1.0 1.8 6.5 34 25 A 3 PRO HBx A 3 PRO HDx 1.0 1.8 6.5 35 26 A 3 PRO HBy A 3 PRO HDy 1.0 1.8 6.5 36 26 A 3 PRO HBx A 3 PRO HDy 1.0 1.8 6.5 37 27 A 2 GLN HA A 3 PRO HDx 1.0 1.8 6.5 38 28 A 2 GLN HA A 3 PRO HDx 1.0 1.8 6.5 39 29 A 3 PRO HDx A 3 PRO HBy 1.0 1.8 6.5 40 29 A 3 PRO HBx A 3 PRO HDx 1.0 1.8 6.5 41 30 A 3 PRO HGy A 3 PRO HDx 1.0 1.8 5.5 42 30 A 3 PRO HDx A 3 PRO HGx 1.0 1.8 5.5 43 31 A 4 ARG HBx A 4 ARG HA 1.0 1.8 6.5 44 32 A 4 ARG HA A 4 ARG HBy 1.0 1.8 6.5 45 33 A 4 ARG H A 4 ARG HA 1.0 1.8 6.5 46 34 A 4 ARG HA A 5 PRO HDx 1.0 1.8 6.5 47 35 A 4 ARG HA A 5 PRO HDy 1.0 1.8 6.5 48 36 A 4 ARG HA A 5 PRO HBy 1.0 1.8 6.5 49 37 A 4 ARG HBy A 4 ARG HDy 1.0 1.8 6.5 50 38 A 4 ARG HBx A 5 PRO HDx 1.0 1.8 6.5 51 39 A 4 ARG H A 4 ARG HBx 1.0 1.8 5.5 52 40 A 5 PRO HBy A 5 PRO HA 1.0 1.8 6.5 53 41 A 5 PRO HA A 5 PRO HBx 1.0 1.8 6.5 54 42 A 5 PRO HA A 5 PRO HGx 1.0 1.8 6.5 55 42 A 5 PRO HA A 5 PRO HGy 1.0 1.8 6.5 56 43 A 5 PRO HDy A 5 PRO HA 1.0 1.8 6.5 57 44 A 5 PRO HA A 6 ALA H 1.0 1.8 6.5 58 45 A 5 PRO HA A 6 ALA HB% 1.0 1.8 6.5 59 46 A 5 PRO HBy A 5 PRO HBx 1.0 1.8 6.5 60 47 A 5 PRO HBy A 5 PRO HA 1.0 1.8 6.5 61 48 A 5 PRO HBy A 6 ALA H 1.0 1.8 6.5 62 49 A 5 PRO HBx A 3 PRO HDy 1.0 1.8 5.5 63 49 A 5 PRO HBx A 3 PRO HDx 1.0 1.8 5.5 64 50 A 4 ARG HA A 5 PRO HBx 1.0 1.8 6.5 65 51 A 5 PRO HA A 5 PRO HBx 1.0 1.8 6.5 66 52 A 5 PRO HBx A 6 ALA H 1.0 1.8 6.5 67 53 A 4 ARG HA A 5 PRO HDy 1.0 1.8 6.5 68 54 A 4 ARG HBx A 5 PRO HDy 1.0 1.8 6.5 69 55 A 5 PRO HDy A 5 PRO HGx 1.0 1.8 6.5 70 55 A 5 PRO HDy A 5 PRO HGy 1.0 1.8 6.5 71 56 A 5 PRO HDy A 5 PRO HBy 1.0 1.8 6.5 72 57 A 4 ARG HA A 5 PRO HDx 1.0 1.8 6.5 73 58 A 4 ARG HBx A 5 PRO HDx 1.0 1.8 6.5 74 59 A 5 PRO HDx A 5 PRO HDy 1.0 1.8 6.5 75 60 A 5 PRO HDx A 5 PRO HGx 1.0 1.8 6.5 76 60 A 5 PRO HDx A 5 PRO HGy 1.0 1.8 6.5 77 61 A 6 ALA H A 6 ALA HA 1.0 1.8 6.5 78 62 A 6 ALA HA A 7 LYS H 1.0 1.8 6.5 79 63 A 6 ALA HA A 21 THR HB 1.0 1.8 6.5 80 64 A 6 ALA HB% A 6 ALA HA 1.0 1.8 6.5 81 65 A 6 ALA H A 6 ALA HB% 1.0 1.8 6.5 82 66 A 6 ALA HB% A 6 ALA HA 1.0 1.8 5.5 83 67 A 6 ALA HB% A 7 LYS HA 1.0 1.8 6.5 84 68 A 6 ALA HB% A 7 LYS H 1.0 1.8 6.5 85 69 A 6 ALA HB% A 19 THR HB 1.0 1.8 6.5 86 70 A 5 PRO HBx A 6 ALA H 1.0 1.8 5.5 87 71 A 6 ALA H A 6 ALA HA 1.0 1.8 5.5 88 72 A 6 ALA H A 6 ALA HB% 1.0 1.8 5.5 89 73 A 6 ALA H A 7 LYS H 1.0 1.8 5.5 90 74 A 6 ALA H A 19 THR HB 1.0 1.8 5.5 91 75 A 7 LYS HA A 7 LYS HBy 1.0 1.8 6.5 92 76 A 7 LYS H A 7 LYS HA 1.0 1.8 6.5 93 77 A 7 LYS HA A 7 LYS HBy 1.0 1.8 6.5 94 77 A 7 LYS HA A 7 LYS HBx 1.0 1.8 6.5 95 78 A 7 LYS HA A 7 LYS HGx 1.0 1.8 6.5 96 78 A 7 LYS HA A 7 LYS HGy 1.0 1.8 6.5 97 79 A 7 LYS HA A 8 TYR H 1.0 1.8 6.5 98 80 A 7 LYS HA A 8 TYR HD% 1.0 1.8 6.0 99 81 A 7 LYS HBx A 7 LYS HGx 1.0 1.8 6.5 100 81 A 7 LYS HBy A 7 LYS HGx 1.0 1.8 6.5 101 81 A 7 LYS HGy A 7 LYS HBy 1.0 1.8 6.5 102 81 A 7 LYS HBx A 7 LYS HGy 1.0 1.8 6.5 103 82 A 7 LYS HA A 7 LYS HBy 1.0 1.8 6.5 104 83 A 7 LYS HGy A 7 LYS HBy 1.0 1.8 6.5 105 83 A 7 LYS HBy A 7 LYS HGx 1.0 1.8 6.5 106 84 A 7 LYS H A 7 LYS HBy 1.0 1.8 6.5 107 85 A 7 LYS HBx A 7 LYS HBy 1.0 1.8 6.5 108 86 A 7 LYS HA A 7 LYS HBx 1.0 1.8 6.5 109 87 A 7 LYS H A 7 LYS HBx 1.0 1.8 6.5 110 88 A 8 TYR HA A 7 LYS HDy 1.0 1.8 6.5 111 88 A 7 LYS HDx A 8 TYR HA 1.0 1.8 6.5 112 89 A 45 ILE H A 7 LYS HDy 1.0 1.8 6.5 113 89 A 7 LYS HDx A 45 ILE H 1.0 1.8 6.5 114 90 A 45 ILE HA A 7 LYS HDy 1.0 1.8 6.5 115 90 A 7 LYS HDx A 45 ILE HA 1.0 1.8 6.5 116 91 A 8 TYR HE% A 7 LYS HDy 1.0 1.8 6.5 117 91 A 7 LYS HDx A 8 TYR HE% 1.0 1.8 6.5 118 92 A 7 LYS HEy A 7 LYS HDy 1.0 1.8 6.5 119 92 A 7 LYS HDy A 7 LYS HEx 1.0 1.8 6.5 120 93 A 7 LYS HGy A 7 LYS HEy 1.0 1.8 6.5 121 93 A 7 LYS HGy A 7 LYS HEx 1.0 1.8 6.5 122 94 A 7 LYS HEx A 7 LYS HGx 1.0 1.8 6.5 123 94 A 7 LYS HGy A 7 LYS HEx 1.0 1.8 6.5 124 94 A 7 LYS HGy A 7 LYS HEy 1.0 1.8 6.5 125 94 A 7 LYS HEy A 7 LYS HGx 1.0 1.8 6.5 126 95 A 44 LEU HDx% A 7 LYS HEx 1.0 1.8 6.5 127 95 A 7 LYS HEy A 44 LEU HDx% 1.0 1.8 6.5 128 96 A 7 LYS HGy A 7 LYS HGx 1.0 1.8 6.5 129 97 A 7 LYS HGy A 18 LYS HGy 1.0 1.8 6.5 130 97 A 18 LYS HGx A 7 LYS HGx 1.0 1.8 6.5 131 97 A 7 LYS HGy A 18 LYS HGx 1.0 1.8 6.5 132 97 A 7 LYS HGx A 18 LYS HGy 1.0 1.8 6.5 133 98 A 7 LYS HGy A 7 LYS HEy 1.0 1.8 6.5 134 98 A 7 LYS HGy A 7 LYS HEx 1.0 1.8 6.5 135 99 A 7 LYS HGy A 7 LYS HGx 1.0 1.8 5.5 136 100 A 7 LYS HGy A 7 LYS HEy 1.0 1.8 4.0 137 100 A 7 LYS HGy A 7 LYS HEx 1.0 1.8 4.0 138 101 A 6 ALA HB% A 7 LYS H 1.0 1.8 5.5 139 102 A 6 ALA HA A 7 LYS H 1.0 1.8 5.5 140 103 A 7 LYS H A 7 LYS HA 1.0 1.8 5.5 141 104 A 7 LYS H A 8 TYR H 1.0 1.8 5.5 142 105 A 7 LYS H A 19 THR HG2% 1.0 1.8 5.5 143 106 A 8 TYR HD% A 8 TYR HA 1.0 1.8 6.5 144 107 A 8 TYR HA A 8 TYR HBx 1.0 1.8 6.5 145 108 A 8 TYR HA A 9 LYS H 1.0 1.8 6.5 146 109 A 8 TYR HA A 9 LYS HBx 1.0 1.8 6.5 147 109 A 8 TYR HA A 9 LYS HBy 1.0 1.8 6.5 148 110 A 8 TYR HA A 9 LYS HGx 1.0 1.8 6.5 149 110 A 8 TYR HA A 9 LYS HGy 1.0 1.8 6.5 150 111 A 8 TYR HA A 19 THR HG2% 1.0 1.8 6.5 151 112 A 8 TYR HA A 44 LEU HA 1.0 1.8 6.5 152 113 A 8 TYR HA A 45 ILE H 1.0 1.8 6.5 153 114 A 8 TYR HD% A 8 TYR HBx 1.0 1.8 6.0 154 114 A 8 TYR HD% A 8 TYR HBy 1.0 1.8 6.0 155 115 A 9 LYS HA A 8 TYR HBx 1.0 1.8 6.0 156 115 A 8 TYR HBy A 9 LYS HA 1.0 1.8 6.0 157 116 A 8 TYR HBy A 8 TYR HBx 1.0 1.8 6.5 158 117 A 8 TYR HA A 8 TYR HBy 1.0 1.8 6.5 159 118 A 8 TYR HBy A 10 PHE HD% 1.0 1.8 6.5 160 119 A 8 TYR HD% A 8 TYR HBy 1.0 1.8 6.5 161 120 A 8 TYR HD% A 8 TYR HE% 1.0 1.8 5.5 162 121 A 8 TYR H A 7 LYS HBy 1.0 1.8 5.5 163 121 A 7 LYS HBx A 8 TYR H 1.0 1.8 5.5 164 122 A 7 LYS HA A 8 TYR H 1.0 1.8 5.5 165 123 A 7 LYS H A 8 TYR H 1.0 1.8 5.5 166 124 A 8 TYR H A 8 TYR HBx 1.0 1.8 5.5 167 124 A 8 TYR H A 8 TYR HBy 1.0 1.8 5.5 168 125 A 8 TYR H A 8 TYR HD% 1.0 1.8 5.5 169 126 A 8 TYR H A 8 TYR HA 1.0 1.8 5.5 170 127 A 8 TYR H A 8 TYR HBx 1.0 1.8 5.5 171 128 A 8 TYR H A 9 LYS H 1.0 1.8 5.5 172 129 A 8 TYR H A 20 TRP H 1.0 1.8 5.5 173 130 A 8 TYR H A 45 ILE HD1% 1.0 1.8 5.5 174 131 A 9 LYS HA A 10 PHE H 1.0 1.8 6.5 175 132 A 9 LYS HA A 10 PHE HD% 1.0 1.8 5.5 176 133 A 9 LYS HBx A 9 LYS HGx 1.0 1.8 6.5 177 133 A 9 LYS HBy A 9 LYS HGx 1.0 1.8 6.5 178 133 A 9 LYS HGy A 9 LYS HBx 1.0 1.8 6.5 179 133 A 9 LYS HBy A 9 LYS HGy 1.0 1.8 6.5 180 134 A 9 LYS HA A 9 LYS HBx 1.0 1.8 6.5 181 134 A 9 LYS HBy A 9 LYS HA 1.0 1.8 6.5 182 135 A 10 PHE H A 9 LYS HBx 1.0 1.8 6.5 183 135 A 9 LYS HBy A 10 PHE H 1.0 1.8 6.5 184 136 A 45 ILE HG2% A 9 LYS HBx 1.0 1.8 6.5 185 136 A 9 LYS HBy A 45 ILE HG2% 1.0 1.8 6.5 186 137 A 9 LYS HEy A 9 LYS HGx 1.0 1.8 6.5 187 137 A 9 LYS HEx A 9 LYS HGx 1.0 1.8 6.5 188 137 A 9 LYS HGy A 9 LYS HEx 1.0 1.8 6.5 189 137 A 9 LYS HGy A 9 LYS HEy 1.0 1.8 6.5 190 138 A 9 LYS HEx A 18 LYS HBy 1.0 1.8 6.5 191 138 A 9 LYS HEy A 18 LYS HBy 1.0 1.8 6.5 192 139 A 19 THR HG2% A 9 LYS HEx 1.0 1.8 6.5 193 139 A 19 THR HG2% A 9 LYS HEy 1.0 1.8 6.5 194 140 A 9 LYS HEy A 9 LYS HGx 1.0 1.8 4.0 195 140 A 9 LYS HEx A 9 LYS HGx 1.0 1.8 4.0 196 140 A 9 LYS HGy A 9 LYS HEx 1.0 1.8 4.0 197 140 A 9 LYS HGy A 9 LYS HEy 1.0 1.8 4.0 198 141 A 9 LYS HA A 9 LYS HGx 1.0 1.8 6.0 199 141 A 9 LYS HGy A 9 LYS HA 1.0 1.8 6.0 200 142 A 17 THR HG2% A 9 LYS HGx 1.0 1.8 6.5 201 142 A 9 LYS HGy A 17 THR HG2% 1.0 1.8 6.5 202 143 A 9 LYS H A 8 TYR HBx 1.0 1.8 5.5 203 143 A 9 LYS H A 8 TYR HBy 1.0 1.8 5.5 204 144 A 9 LYS H A 9 LYS HBx 1.0 1.8 5.5 205 144 A 9 LYS H A 9 LYS HBy 1.0 1.8 5.5 206 145 A 9 LYS H A 9 LYS HGx 1.0 1.8 5.5 207 145 A 9 LYS H A 9 LYS HGy 1.0 1.8 5.5 208 146 A 9 LYS H A 9 LYS HA 1.0 1.8 5.5 209 147 A 45 ILE H A 9 LYS H 1.0 1.8 5.5 210 148 A 10 PHE HA A 10 PHE HBy 1.0 1.8 6.5 211 148 A 10 PHE HA A 10 PHE HBx 1.0 1.8 6.5 212 149 A 10 PHE HD% A 10 PHE HA 1.0 1.8 6.5 213 150 A 10 PHE HD% A 10 PHE HA 1.0 1.8 5.5 214 151 A 10 PHE HA A 11 THR H 1.0 1.8 6.5 215 152 A 10 PHE HA A 10 PHE HBy 1.0 1.8 6.5 216 152 A 10 PHE HA A 10 PHE HBx 1.0 1.8 6.5 217 153 A 10 PHE HD% A 10 PHE HBy 1.0 1.8 6.5 218 153 A 10 PHE HD% A 10 PHE HBx 1.0 1.8 6.5 219 154 A 10 PHE H A 10 PHE HBy 1.0 1.8 6.5 220 154 A 10 PHE H A 10 PHE HBx 1.0 1.8 6.5 221 155 A 20 TRP HE3 A 10 PHE HBy 1.0 1.8 4.0 222 155 A 10 PHE HBx A 20 TRP HE3 1.0 1.8 4.0 223 156 A 30 ILE HD1% A 10 PHE HBy 1.0 1.8 6.5 224 156 A 10 PHE HBx A 30 ILE HD1% 1.0 1.8 6.5 225 157 A 43 PHE HD% A 10 PHE HBy 1.0 1.8 5.5 226 157 A 10 PHE HBx A 43 PHE HD% 1.0 1.8 5.5 227 158 A 10 PHE HD% A 10 PHE HEy 1.0 1.8 5.5 228 158 A 10 PHE HD% A 10 PHE HEx 1.0 1.8 5.5 229 159 A 10 PHE HD% A 20 TRP HE3 1.0 1.8 5.5 230 160 A 10 PHE HEy A 10 PHE HZ 1.0 1.8 5.5 231 161 A 10 PHE H A 9 LYS HGx 1.0 1.8 5.5 232 161 A 9 LYS HGy A 10 PHE H 1.0 1.8 5.5 233 162 A 10 PHE H A 9 LYS HBx 1.0 1.8 5.5 234 162 A 9 LYS HBy A 10 PHE H 1.0 1.8 5.5 235 163 A 9 LYS HA A 10 PHE H 1.0 1.8 5.5 236 164 A 10 PHE H A 10 PHE HEy 1.0 1.8 5.5 237 164 A 10 PHE H A 10 PHE HEx 1.0 1.8 5.5 238 165 A 10 PHE H A 10 PHE HBx 1.0 1.8 5.5 239 166 A 10 PHE H A 10 PHE HA 1.0 1.8 5.5 240 167 A 10 PHE HD% A 10 PHE H 1.0 1.8 5.5 241 168 A 10 PHE H A 17 THR HA 1.0 1.8 5.5 242 169 A 11 THR HB A 11 THR HG2% 1.0 1.8 6.5 243 170 A 11 THR H A 11 THR HB 1.0 1.8 6.5 244 171 A 11 THR HB A 11 THR HA 1.0 1.8 6.5 245 172 A 10 PHE HD% A 11 THR H 1.0 1.8 5.5 246 173 A 11 THR H A 10 PHE HBy 1.0 1.8 5.5 247 173 A 10 PHE HBx A 11 THR H 1.0 1.8 5.5 248 174 A 10 PHE HA A 11 THR H 1.0 1.8 5.5 249 175 A 11 THR H A 11 THR HG2% 1.0 1.8 5.5 250 176 A 11 THR H A 11 THR HA 1.0 1.8 5.5 251 177 A 11 THR H A 11 THR HB 1.0 1.8 5.5 252 178 A 10 PHE HD% A 12 ASP HA 1.0 1.8 6.5 253 179 A 10 PHE HEy A 12 ASP HA 1.0 1.8 6.5 254 179 A 12 ASP HA A 10 PHE HEx 1.0 1.8 6.5 255 180 A 10 PHE HD% A 12 ASP HA 1.0 1.8 6.0 256 181 A 12 ASP H A 12 ASP HA 1.0 1.8 6.5 257 182 A 12 ASP HA A 13 VAL H 1.0 1.8 6.5 258 183 A 11 THR HG2% A 12 ASP H 1.0 1.8 5.5 259 184 A 11 THR HA A 12 ASP H 1.0 1.8 5.5 260 185 A 12 ASP H A 12 ASP HA 1.0 1.8 5.5 261 186 A 12 ASP H A 16 GLU H 1.0 1.8 5.5 262 187 A 12 ASP HA A 13 VAL HA 1.0 1.8 6.5 263 188 A 13 VAL HA A 13 VAL HB 1.0 1.8 6.5 264 189 A 13 VAL HA A 13 VAL HGx% 1.0 1.8 6.5 265 190 A 13 VAL H A 13 VAL HA 1.0 1.8 6.5 266 191 A 13 VAL HA A 14 ASN H 1.0 1.8 6.5 267 192 A 12 ASP HA A 13 VAL HB 1.0 1.8 6.5 268 193 A 13 VAL HB A 13 VAL HGy% 1.0 1.8 6.5 269 194 A 13 VAL HA A 13 VAL HB 1.0 1.8 6.5 270 195 A 13 VAL HB A 14 ASN HD2y 1.0 1.8 6.0 271 196 A 13 VAL HB A 13 VAL HGx% 1.0 1.8 6.5 272 197 A 13 VAL HA A 13 VAL HGx% 1.0 1.8 6.5 273 198 A 14 ASN H A 13 VAL HGx% 1.0 1.8 6.5 274 199 A 13 VAL HB A 13 VAL HGy% 1.0 1.8 6.5 275 200 A 13 VAL HA A 13 VAL HGy% 1.0 1.8 6.5 276 201 A 13 VAL HB A 13 VAL HGy% 1.0 1.8 6.0 277 202 A 13 VAL HA A 13 VAL HGy% 1.0 1.8 6.0 278 203 A 14 ASN H A 13 VAL HGy% 1.0 1.8 6.5 279 204 A 12 ASP HA A 13 VAL H 1.0 1.8 5.5 280 205 A 13 VAL H A 13 VAL HA 1.0 1.8 5.5 281 206 A 13 VAL H A 13 VAL HB 1.0 1.8 5.5 282 207 A 13 VAL H A 13 VAL HGy% 1.0 1.8 5.5 283 208 A 13 VAL H A 14 ASN H 1.0 1.8 5.5 284 209 A 14 ASN HA A 14 ASN HD2x 1.0 1.8 4.0 285 210 A 14 ASN HD2y A 14 ASN HBy 1.0 1.8 4.0 286 210 A 14 ASN HD2y A 14 ASN HBx 1.0 1.8 4.0 287 211 A 14 ASN HA A 14 ASN HBy 1.0 1.8 6.5 288 212 A 14 ASN HD2y A 14 ASN HBy 1.0 1.8 6.5 289 213 A 14 ASN H A 14 ASN HBy 1.0 1.8 6.5 290 214 A 14 ASN HD2x A 14 ASN HBy 1.0 1.8 6.5 291 215 A 14 ASN HBx A 14 ASN HBy 1.0 1.8 6.5 292 216 A 14 ASN HA A 14 ASN HBx 1.0 1.8 6.5 293 217 A 14 ASN HD2y A 14 ASN HBx 1.0 1.8 6.5 294 218 A 14 ASN H A 14 ASN HBx 1.0 1.8 6.5 295 219 A 14 ASN HD2x A 14 ASN HBx 1.0 1.8 6.5 296 220 A 14 ASN HD2y A 14 ASN HBx 1.0 1.8 4.0 297 221 A 14 ASN HD2y A 14 ASN HBx 1.0 1.8 5.5 298 222 A 14 ASN HD2x A 14 ASN HBx 1.0 1.8 5.5 299 223 A 14 ASN HD2y A 14 ASN HD2x 1.0 1.8 6.0 300 224 A 13 VAL HA A 14 ASN H 1.0 1.8 5.5 301 225 A 13 VAL H A 14 ASN H 1.0 1.8 5.5 302 226 A 14 ASN H A 13 VAL HGx% 1.0 1.8 5.5 303 227 A 14 ASN H A 14 ASN HD2x 1.0 1.8 5.5 304 228 A 14 ASN H A 14 ASN HA 1.0 1.8 5.5 305 229 A 14 ASN H A 14 ASN HBy 1.0 1.8 5.5 306 229 A 14 ASN H A 14 ASN HBx 1.0 1.8 5.5 307 230 A 14 ASN H A 14 ASN HBx 1.0 1.8 5.5 308 231 A 15 GLY HAx A 14 ASN H 1.0 1.8 5.5 309 232 A 15 GLY H A 14 ASN H 1.0 1.8 5.5 310 233 A 11 THR HG2% A 15 GLY HAx 1.0 1.8 6.5 311 234 A 15 GLY HAx A 15 GLY H 1.0 1.8 6.5 312 235 A 15 GLY HAx A 16 GLU H 1.0 1.8 6.5 313 236 A 11 THR HG2% A 15 GLY HAy 1.0 1.8 6.5 314 237 A 15 GLY HAx A 15 GLY HAy 1.0 1.8 6.5 315 238 A 15 GLY HAy A 15 GLY H 1.0 1.8 6.5 316 239 A 15 GLY HAy A 16 GLU H 1.0 1.8 6.5 317 240 A 12 ASP H A 15 GLY H 1.0 1.8 5.5 318 241 A 15 GLY H A 13 VAL HGy% 1.0 1.8 5.5 319 241 A 15 GLY H A 13 VAL HGx% 1.0 1.8 5.5 320 242 A 15 GLY H A 14 ASN HBy 1.0 1.8 5.5 321 242 A 15 GLY H A 14 ASN HBx 1.0 1.8 5.5 322 243 A 15 GLY H A 14 ASN HA 1.0 1.8 5.5 323 244 A 15 GLY H A 14 ASN HBx 1.0 1.8 5.5 324 245 A 15 GLY H A 14 ASN H 1.0 1.8 5.5 325 246 A 15 GLY HAy A 15 GLY H 1.0 1.8 5.5 326 247 A 15 GLY HAx A 15 GLY H 1.0 1.8 5.5 327 248 A 16 GLU HA A 16 GLU HBx 1.0 1.8 6.5 328 249 A 16 GLU HA A 16 GLU HGx 1.0 1.8 6.5 329 250 A 16 GLU H A 16 GLU HA 1.0 1.8 6.5 330 251 A 16 GLU HA A 17 THR H 1.0 1.8 6.5 331 252 A 16 GLU HA A 16 GLU HBx 1.0 1.8 6.5 332 253 A 16 GLU H A 16 GLU HBx 1.0 1.8 6.5 333 254 A 17 THR H A 16 GLU HBx 1.0 1.8 6.5 334 255 A 18 LYS HEy A 16 GLU HBx 1.0 1.8 6.5 335 255 A 16 GLU HBx A 18 LYS HEx 1.0 1.8 6.5 336 256 A 16 GLU HGy A 16 GLU HBx 1.0 1.8 6.5 337 257 A 16 GLU H A 16 GLU HGy 1.0 1.8 6.5 338 258 A 16 GLU HBx A 16 GLU HGx 1.0 1.8 6.5 339 259 A 16 GLU H A 16 GLU HGx 1.0 1.8 6.5 340 260 A 16 GLU HA A 16 GLU HGx 1.0 1.8 6.5 341 261 A 12 ASP H A 16 GLU H 1.0 1.8 5.5 342 262 A 16 GLU H A 14 ASN HBy 1.0 1.8 5.5 343 262 A 16 GLU H A 14 ASN HBx 1.0 1.8 5.5 344 263 A 16 GLU H A 14 ASN HBx 1.0 1.8 5.5 345 264 A 15 GLY HAx A 16 GLU H 1.0 1.8 5.5 346 265 A 15 GLY H A 16 GLU H 1.0 1.8 5.5 347 266 A 16 GLU H A 16 GLU HGx 1.0 1.8 5.5 348 266 A 16 GLU H A 16 GLU HGy 1.0 1.8 5.5 349 267 A 16 GLU H A 16 GLU HA 1.0 1.8 5.5 350 268 A 16 GLU H A 16 GLU HBx 1.0 1.8 5.5 351 268 A 16 GLU H A 16 GLU HBy 1.0 1.8 5.5 352 269 A 16 GLU H A 17 THR H 1.0 1.8 5.5 353 270 A 17 THR HA A 11 THR HA 1.0 1.8 6.5 354 271 A 17 THR HA A 16 GLU H 1.0 1.8 6.5 355 272 A 17 THR HG2% A 17 THR HA 1.0 1.8 6.5 356 273 A 17 THR HA A 18 LYS H 1.0 1.8 6.5 357 274 A 17 THR HG2% A 17 THR HB 1.0 1.8 6.5 358 275 A 17 THR H A 17 THR HB 1.0 1.8 6.5 359 276 A 17 THR HA A 17 THR HB 1.0 1.8 6.5 360 277 A 17 THR HG2% A 9 LYS HBx 1.0 1.8 6.5 361 277 A 9 LYS HBy A 17 THR HG2% 1.0 1.8 6.5 362 278 A 17 THR HG2% A 9 LYS HDx 1.0 1.8 6.5 363 278 A 17 THR HG2% A 9 LYS HDy 1.0 1.8 6.5 364 279 A 17 THR HG2% A 11 THR HA 1.0 1.8 6.5 365 280 A 17 THR HG2% A 11 THR HA 1.0 1.8 6.5 366 281 A 17 THR HG2% A 17 THR HB 1.0 1.8 6.5 367 282 A 17 THR HG2% A 17 THR HA 1.0 1.8 6.5 368 283 A 17 THR HG2% A 17 THR H 1.0 1.8 6.5 369 284 A 17 THR H A 16 GLU HGx 1.0 1.8 5.5 370 284 A 17 THR H A 16 GLU HGy 1.0 1.8 5.5 371 285 A 16 GLU H A 17 THR H 1.0 1.8 5.5 372 286 A 17 THR H A 16 GLU HBx 1.0 1.8 5.5 373 286 A 17 THR H A 16 GLU HBy 1.0 1.8 5.5 374 287 A 16 GLU HA A 17 THR H 1.0 1.8 5.5 375 288 A 17 THR HG2% A 17 THR H 1.0 1.8 5.5 376 289 A 17 THR HA A 17 THR H 1.0 1.8 5.5 377 290 A 17 THR H A 17 THR HB 1.0 1.8 5.5 378 291 A 10 PHE HEy A 18 LYS HBx 1.0 1.8 6.0 379 291 A 10 PHE HEx A 18 LYS HBy 1.0 1.8 6.0 380 291 A 18 LYS HBx A 10 PHE HEx 1.0 1.8 6.0 381 291 A 10 PHE HEy A 18 LYS HBy 1.0 1.8 6.0 382 292 A 17 THR HA A 18 LYS HBy 1.0 1.8 6.5 383 293 A 18 LYS HBx A 18 LYS HBy 1.0 1.8 6.5 384 294 A 18 LYS HBy A 18 LYS HGy 1.0 1.8 6.5 385 295 A 18 LYS HGx A 18 LYS HBy 1.0 1.8 6.5 386 296 A 19 THR H A 18 LYS HBy 1.0 1.8 6.5 387 297 A 10 PHE HZ A 18 LYS HBx 1.0 1.8 6.0 388 298 A 10 PHE HEy A 18 LYS HBx 1.0 1.8 6.0 389 298 A 18 LYS HBx A 10 PHE HEx 1.0 1.8 6.0 390 299 A 18 LYS HBx A 18 LYS HBy 1.0 1.8 6.0 391 300 A 18 LYS HEy A 18 LYS HDy 1.0 1.8 6.5 392 300 A 18 LYS HDy A 18 LYS HEx 1.0 1.8 6.5 393 301 A 17 THR HA A 18 LYS HDy 1.0 1.8 6.5 394 301 A 17 THR HA A 18 LYS HDx 1.0 1.8 6.5 395 302 A 18 LYS HEy A 18 LYS HDx 1.0 1.8 6.5 396 302 A 18 LYS HDx A 18 LYS HEx 1.0 1.8 6.5 397 303 A 19 THR H A 18 LYS HDx 1.0 1.8 6.5 398 304 A 11 THR HA A 18 LYS HEx 1.0 1.8 6.5 399 304 A 11 THR HA A 18 LYS HEy 1.0 1.8 6.5 400 305 A 18 LYS HEy A 16 GLU HBx 1.0 1.8 6.5 401 305 A 16 GLU HBx A 18 LYS HEx 1.0 1.8 6.5 402 306 A 18 LYS HEy A 18 LYS HDx 1.0 1.8 6.5 403 306 A 18 LYS HDx A 18 LYS HEx 1.0 1.8 6.5 404 307 A 18 LYS HEy A 18 LYS HDy 1.0 1.8 6.5 405 307 A 18 LYS HDy A 18 LYS HEx 1.0 1.8 6.5 406 308 A 18 LYS HGx A 18 LYS HEx 1.0 1.8 6.5 407 308 A 18 LYS HGx A 18 LYS HEy 1.0 1.8 6.5 408 309 A 18 LYS HEy A 18 LYS HGy 1.0 1.8 6.5 409 309 A 18 LYS HEx A 18 LYS HGy 1.0 1.8 6.5 410 310 A 18 LYS HEy A 18 LYS HGy 1.0 1.8 4.0 411 310 A 18 LYS HEx A 18 LYS HGy 1.0 1.8 4.0 412 310 A 18 LYS HGx A 18 LYS HEx 1.0 1.8 4.0 413 310 A 18 LYS HGx A 18 LYS HEy 1.0 1.8 4.0 414 311 A 18 LYS HGx A 18 LYS HBx 1.0 1.8 6.5 415 312 A 11 THR HA A 18 LYS H 1.0 1.8 5.5 416 313 A 18 LYS H A 17 THR HB 1.0 1.8 5.5 417 314 A 17 THR HA A 18 LYS H 1.0 1.8 5.5 418 315 A 18 LYS H A 18 LYS HBy 1.0 1.8 5.5 419 315 A 18 LYS H A 18 LYS HBx 1.0 1.8 5.5 420 316 A 18 LYS HGx A 18 LYS H 1.0 1.8 5.5 421 317 A 18 LYS H A 18 LYS HA 1.0 1.8 5.5 422 318 A 19 THR HG2% A 19 THR HA 1.0 1.8 6.5 423 319 A 19 THR HB A 19 THR HA 1.0 1.8 6.5 424 320 A 20 TRP H A 19 THR HA 1.0 1.8 6.5 425 321 A 19 THR HB A 19 THR HG2% 1.0 1.8 6.5 426 322 A 19 THR HB A 19 THR HA 1.0 1.8 6.5 427 323 A 19 THR HB A 20 TRP H 1.0 1.8 6.5 428 324 A 19 THR HB A 45 ILE HD1% 1.0 1.8 6.5 429 325 A 19 THR HG2% A 9 LYS HA 1.0 1.8 6.5 430 326 A 19 THR HG2% A 9 LYS HBx 1.0 1.8 6.5 431 326 A 19 THR HG2% A 9 LYS HBy 1.0 1.8 6.5 432 327 A 19 THR HB A 19 THR HG2% 1.0 1.8 6.5 433 328 A 19 THR HG2% A 19 THR H 1.0 1.8 6.5 434 329 A 19 THR HG2% A 20 TRP H 1.0 1.8 6.5 435 330 A 19 THR HG2% A 45 ILE HD1% 1.0 1.8 6.5 436 331 A 20 TRP HA A 20 TRP HD1 1.0 1.8 6.5 437 332 A 20 TRP HA A 20 TRP HBy 1.0 1.8 6.5 438 333 A 20 TRP HA A 20 TRP HD1 1.0 1.8 4.0 439 334 A 10 PHE HEx A 20 TRP HBy 1.0 1.8 4.0 440 334 A 10 PHE HEy A 20 TRP HBx 1.0 1.8 4.0 441 334 A 20 TRP HBx A 10 PHE HEx 1.0 1.8 4.0 442 334 A 10 PHE HEy A 20 TRP HBy 1.0 1.8 4.0 443 335 A 20 TRP HE3 A 20 TRP HBy 1.0 1.8 4.0 444 335 A 20 TRP HE3 A 20 TRP HBx 1.0 1.8 4.0 445 336 A 20 TRP HD1 A 20 TRP HBy 1.0 1.8 6.0 446 336 A 20 TRP HD1 A 20 TRP HBx 1.0 1.8 6.0 447 337 A 20 TRP HA A 20 TRP HBy 1.0 1.8 4.0 448 337 A 20 TRP HA A 20 TRP HBx 1.0 1.8 4.0 449 338 A 10 PHE HD% A 20 TRP HBy 1.0 1.8 6.5 450 339 A 20 TRP HA A 20 TRP HBy 1.0 1.8 6.5 451 340 A 20 TRP HE3 A 20 TRP HBy 1.0 1.8 6.5 452 341 A 20 TRP H A 20 TRP HBy 1.0 1.8 6.5 453 342 A 20 TRP HD1 A 20 TRP HBy 1.0 1.8 6.5 454 343 A 27 PRO HGx A 20 TRP HBy 1.0 1.8 6.5 455 344 A 20 TRP HBx A 8 TYR HBx 1.0 1.8 6.5 456 345 A 10 PHE HD% A 20 TRP HBx 1.0 1.8 6.5 457 346 A 19 THR HG2% A 20 TRP HBy 1.0 1.8 6.5 458 346 A 19 THR HG2% A 20 TRP HBx 1.0 1.8 6.5 459 347 A 20 TRP HBx A 20 TRP HZ2 1.0 1.8 6.5 460 348 A 20 TRP HA A 20 TRP HBx 1.0 1.8 6.5 461 349 A 20 TRP H A 20 TRP HBx 1.0 1.8 6.5 462 350 A 20 TRP HD1 A 20 TRP HBx 1.0 1.8 6.5 463 351 A 20 TRP HE3 A 20 TRP HBx 1.0 1.8 4.0 464 352 A 20 TRP HA A 20 TRP HBx 1.0 1.8 6.0 465 353 A 20 TRP HD1 A 20 TRP HE1 1.0 1.8 4.0 466 354 A 20 TRP H A 8 TYR HBx 1.0 1.8 5.5 467 355 A 8 TYR H A 20 TRP H 1.0 1.8 5.5 468 356 A 20 TRP H A 8 TYR HBx 1.0 1.8 5.5 469 356 A 8 TYR HBy A 20 TRP H 1.0 1.8 5.5 470 357 A 8 TYR HA A 20 TRP H 1.0 1.8 5.5 471 358 A 10 PHE HD% A 20 TRP H 1.0 1.8 5.5 472 359 A 19 THR HB A 20 TRP H 1.0 1.8 5.5 473 360 A 20 TRP H A 20 TRP HBx 1.0 1.8 5.5 474 361 A 20 TRP H A 20 TRP HA 1.0 1.8 5.5 475 362 A 20 TRP HE3 A 20 TRP HZ3 1.0 1.8 5.5 476 363 A 21 THR HA A 39 SER HA 1.0 1.8 6.5 477 364 A 21 THR HB A 21 THR HG2% 1.0 1.8 6.5 478 365 A 21 THR HB A 21 THR HG1 1.0 1.8 6.5 479 366 A 21 THR HB A 40 LEU HG 1.0 1.8 6.5 480 367 A 39 SER HA A 22 GLY HAy 1.0 1.8 6.5 481 367 A 39 SER HA A 22 GLY HAx 1.0 1.8 6.5 482 368 A 22 GLY HAx A 22 GLY HAy 1.0 1.8 6.5 483 369 A 5 PRO HBx A 23 GLN HA 1.0 1.8 6.5 484 370 A 23 GLN HA A 23 GLN HGx 1.0 1.8 6.5 485 370 A 23 GLN HA A 23 GLN HGy 1.0 1.8 6.5 486 371 A 23 GLN HA A 23 GLN HBy 1.0 1.8 6.5 487 372 A 23 GLN HA A 23 GLN H 1.0 1.8 6.5 488 373 A 23 GLN HA A 24 GLY H 1.0 1.8 6.5 489 374 A 22 GLY HAx A 23 GLN HBx 1.0 1.8 5.5 490 374 A 22 GLY HAy A 23 GLN HBx 1.0 1.8 5.5 491 375 A 23 GLN HA A 23 GLN HGx 1.0 1.8 6.5 492 375 A 23 GLN HA A 23 GLN HGy 1.0 1.8 6.5 493 376 A 23 GLN HE2y A 23 GLN HGx 1.0 1.8 6.5 494 376 A 23 GLN HGy A 23 GLN HE2y 1.0 1.8 6.5 495 377 A 23 GLN H A 23 GLN HGx 1.0 1.8 6.5 496 377 A 23 GLN HGy A 23 GLN H 1.0 1.8 6.5 497 378 A 23 GLN HE2x A 23 GLN HGx 1.0 1.8 6.5 498 378 A 23 GLN HGy A 23 GLN HE2x 1.0 1.8 6.5 499 379 A 24 GLY H A 23 GLN HGx 1.0 1.8 6.5 500 379 A 23 GLN HGy A 24 GLY H 1.0 1.8 6.5 501 380 A 20 TRP HD1 A 23 GLN H 1.0 1.8 5.5 502 381 A 20 TRP HE1 A 23 GLN H 1.0 1.8 5.5 503 382 A 23 GLN H A 22 GLY HAy 1.0 1.8 5.5 504 382 A 22 GLY HAx A 23 GLN H 1.0 1.8 5.5 505 383 A 23 GLN HA A 23 GLN H 1.0 1.8 5.5 506 384 A 23 GLN H A 23 GLN HBx 1.0 1.8 5.5 507 384 A 23 GLN H A 23 GLN HBy 1.0 1.8 5.5 508 385 A 23 GLN H A 23 GLN HBx 1.0 1.8 5.5 509 386 A 23 GLN H A 24 GLY HAx 1.0 1.8 5.5 510 387 A 24 GLY HAx A 24 GLY HAy 1.0 1.8 6.5 511 388 A 24 GLY H A 24 GLY HAx 1.0 1.8 6.5 512 389 A 24 GLY HAx A 25 ARG H 1.0 1.8 6.5 513 390 A 24 GLY H A 24 GLY HAy 1.0 1.8 6.5 514 391 A 24 GLY HAy A 25 ARG H 1.0 1.8 6.5 515 392 A 24 GLY H A 23 GLN HBx 1.0 1.8 5.5 516 393 A 24 GLY H A 23 GLN HBx 1.0 1.8 5.5 517 393 A 24 GLY H A 23 GLN HBy 1.0 1.8 5.5 518 394 A 23 GLN HA A 24 GLY H 1.0 1.8 5.5 519 395 A 24 GLY H A 24 GLY HAx 1.0 1.8 5.5 520 396 A 24 GLY H A 24 GLY HAy 1.0 1.8 5.5 521 397 A 25 ARG HA A 25 ARG HGy 1.0 1.8 6.5 522 398 A 25 ARG HA A 25 ARG HDx 1.0 1.8 6.5 523 398 A 25 ARG HA A 25 ARG HDy 1.0 1.8 6.5 524 399 A 25 ARG HA A 26 THR H 1.0 1.8 6.5 525 400 A 24 GLY HAx A 25 ARG HBx 1.0 1.8 6.5 526 400 A 24 GLY HAx A 25 ARG HBy 1.0 1.8 6.5 527 401 A 25 ARG HA A 25 ARG HBx 1.0 1.8 6.5 528 401 A 25 ARG HA A 25 ARG HBy 1.0 1.8 6.5 529 402 A 26 THR H A 25 ARG HBx 1.0 1.8 6.5 530 402 A 26 THR H A 25 ARG HBy 1.0 1.8 6.5 531 403 A 25 ARG HDy A 25 ARG HGy 1.0 1.8 6.5 532 403 A 25 ARG HDx A 25 ARG HGy 1.0 1.8 6.5 533 404 A 25 ARG HA A 25 ARG HDx 1.0 1.8 6.5 534 404 A 25 ARG HA A 25 ARG HDy 1.0 1.8 6.5 535 405 A 26 THR H A 25 ARG HDx 1.0 1.8 6.5 536 405 A 25 ARG HDy A 26 THR H 1.0 1.8 6.5 537 406 A 27 PRO HA A 25 ARG HGy 1.0 1.8 5.5 538 406 A 25 ARG HGx A 27 PRO HA 1.0 1.8 5.5 539 407 A 25 ARG HDy A 25 ARG HGy 1.0 1.8 6.5 540 407 A 25 ARG HDx A 25 ARG HGy 1.0 1.8 6.5 541 408 A 25 ARG HA A 25 ARG HGx 1.0 1.8 6.5 542 409 A 26 THR H A 25 ARG HGx 1.0 1.8 6.5 543 410 A 24 GLY HAy A 25 ARG H 1.0 1.8 5.5 544 411 A 24 GLY HAx A 25 ARG H 1.0 1.8 5.5 545 412 A 25 ARG H A 25 ARG HDx 1.0 1.8 5.5 546 412 A 25 ARG H A 25 ARG HDy 1.0 1.8 5.5 547 413 A 25 ARG H A 25 ARG HA 1.0 1.8 5.5 548 414 A 25 ARG H A 25 ARG HGy 1.0 1.8 5.5 549 414 A 25 ARG H A 25 ARG HGx 1.0 1.8 5.5 550 415 A 10 PHE HEy A 26 THR HA 1.0 1.8 6.5 551 415 A 26 THR HA A 10 PHE HEx 1.0 1.8 6.5 552 416 A 26 THR HA A 26 THR HG2% 1.0 1.8 6.5 553 417 A 26 THR HA A 27 PRO HDx 1.0 1.8 6.5 554 418 A 26 THR HG2% A 26 THR HB 1.0 1.8 6.5 555 419 A 26 THR H A 26 THR HB 1.0 1.8 6.5 556 420 A 26 THR HA A 26 THR HB 1.0 1.8 6.5 557 421 A 26 THR HB A 31 ALA HB% 1.0 1.8 6.5 558 422 A 20 TRP HZ2 A 26 THR HG2% 1.0 1.8 6.5 559 423 A 20 TRP HZ3 A 26 THR HG2% 1.0 1.8 6.0 560 424 A 26 THR HG2% A 20 TRP HH2 1.0 1.8 4.0 561 425 A 26 THR HG2% A 22 GLY HAy 1.0 1.8 6.5 562 425 A 22 GLY HAx A 26 THR HG2% 1.0 1.8 6.5 563 426 A 26 THR HG2% A 26 THR HB 1.0 1.8 6.5 564 427 A 26 THR HG2% A 26 THR HB 1.0 1.8 4.0 565 428 A 26 THR HA A 26 THR HG2% 1.0 1.8 4.0 566 429 A 26 THR HG2% A 27 PRO HGy 1.0 1.8 6.5 567 430 A 26 THR HG2% A 30 ILE HG2% 1.0 1.8 6.5 568 431 A 26 THR HG2% A 31 ALA HB% 1.0 1.8 5.5 569 432 A 26 THR HG2% A 31 ALA HA 1.0 1.8 4.0 570 433 A 26 THR H A 25 ARG HGy 1.0 1.8 5.5 571 433 A 26 THR H A 25 ARG HGx 1.0 1.8 5.5 572 434 A 25 ARG HA A 26 THR H 1.0 1.8 5.5 573 435 A 26 THR H A 26 THR HG2% 1.0 1.8 5.5 574 436 A 26 THR H A 26 THR HA 1.0 1.8 5.5 575 437 A 26 THR H A 26 THR HB 1.0 1.8 5.5 576 438 A 10 PHE HZ A 27 PRO HBy 1.0 1.8 6.5 577 439 A 27 PRO HBy A 27 PRO HBx 1.0 1.8 6.5 578 440 A 27 PRO HBy A 27 PRO HGy 1.0 1.8 6.5 579 441 A 27 PRO HBy A 27 PRO HGx 1.0 1.8 6.5 580 442 A 27 PRO HBy A 27 PRO HDx 1.0 1.8 6.5 581 443 A 27 PRO HBy A 29 PRO HDy 1.0 1.8 6.5 582 444 A 27 PRO HBy A 29 PRO HDx 1.0 1.8 6.5 583 445 A 10 PHE HZ A 27 PRO HBx 1.0 1.8 6.0 584 446 A 27 PRO HBx A 25 ARG HGy 1.0 1.8 6.0 585 446 A 25 ARG HGx A 27 PRO HBx 1.0 1.8 6.0 586 447 A 27 PRO HBx A 27 PRO HGx 1.0 1.8 6.5 587 448 A 27 PRO HBx A 27 PRO HGy 1.0 1.8 6.5 588 449 A 27 PRO HA A 27 PRO HBx 1.0 1.8 4.0 589 450 A 27 PRO HBx A 29 PRO HDy 1.0 1.8 6.5 590 451 A 27 PRO HBx A 29 PRO HDx 1.0 1.8 6.5 591 452 A 20 TRP HD1 A 27 PRO HDx 1.0 1.8 6.0 592 453 A 26 THR HA A 27 PRO HDx 1.0 1.8 6.0 593 454 A 10 PHE HD% A 27 PRO HGy 1.0 1.8 6.0 594 454 A 10 PHE HD% A 27 PRO HGx 1.0 1.8 6.0 595 455 A 27 PRO HA A 27 PRO HGy 1.0 1.8 5.5 596 455 A 27 PRO HA A 27 PRO HGx 1.0 1.8 5.5 597 456 A 28 LYS HA A 28 LYS HBx 1.0 1.8 6.5 598 456 A 28 LYS HA A 28 LYS HBy 1.0 1.8 6.5 599 457 A 28 LYS HA A 28 LYS H 1.0 1.8 6.5 600 458 A 31 ALA HB% A 28 LYS HA 1.0 1.8 6.5 601 459 A 28 LYS HA A 31 ALA H 1.0 1.8 6.5 602 460 A 26 THR H A 28 LYS HDx 1.0 1.8 6.5 603 460 A 26 THR H A 28 LYS HDy 1.0 1.8 6.5 604 461 A 28 LYS H A 28 LYS HDx 1.0 1.8 6.5 605 461 A 28 LYS H A 28 LYS HDy 1.0 1.8 6.5 606 462 A 28 LYS H A 28 LYS HGy 1.0 1.8 5.5 607 462 A 28 LYS H A 28 LYS HGx 1.0 1.8 5.5 608 463 A 28 LYS H A 28 LYS HBx 1.0 1.8 5.5 609 463 A 28 LYS HBy A 28 LYS H 1.0 1.8 5.5 610 464 A 28 LYS HA A 28 LYS H 1.0 1.8 5.5 611 465 A 28 LYS H A 29 PRO HDx 1.0 1.8 5.5 612 466 A 29 PRO HA A 29 PRO HBy 1.0 1.8 6.5 613 467 A 29 PRO HA A 29 PRO HBx 1.0 1.8 6.5 614 468 A 29 PRO HA A 32 GLN HBy 1.0 1.8 6.5 615 469 A 29 PRO HA A 32 GLN HBx 1.0 1.8 6.5 616 470 A 29 PRO HA A 29 PRO HBy 1.0 1.8 6.5 617 470 A 29 PRO HA A 29 PRO HBx 1.0 1.8 6.5 618 471 A 29 PRO HBx A 29 PRO HDy 1.0 1.8 6.5 619 471 A 29 PRO HBy A 29 PRO HDy 1.0 1.8 6.5 620 472 A 29 PRO HDx A 29 PRO HBy 1.0 1.8 6.5 621 472 A 29 PRO HBx A 29 PRO HDx 1.0 1.8 6.5 622 473 A 30 ILE HA A 29 PRO HBy 1.0 1.8 6.5 623 473 A 29 PRO HBx A 30 ILE HA 1.0 1.8 6.5 624 474 A 30 ILE H A 29 PRO HBy 1.0 1.8 6.5 625 474 A 29 PRO HBx A 30 ILE H 1.0 1.8 6.5 626 475 A 29 PRO HBx A 29 PRO HBy 1.0 1.8 6.5 627 476 A 29 PRO HBx A 29 PRO HGy 1.0 1.8 6.5 628 477 A 29 PRO HBx A 29 PRO HDy 1.0 1.8 6.5 629 478 A 29 PRO HBx A 29 PRO HGx 1.0 1.8 4.0 630 478 A 29 PRO HBx A 29 PRO HGy 1.0 1.8 4.0 631 479 A 29 PRO HBx A 29 PRO HBy 1.0 1.8 6.0 632 480 A 29 PRO HBx A 30 ILE H 1.0 1.8 6.5 633 481 A 29 PRO HBx A 32 GLN HBy 1.0 1.8 6.5 634 481 A 29 PRO HBx A 32 GLN HBx 1.0 1.8 6.5 635 482 A 29 PRO HBx A 32 GLN HE2x 1.0 1.8 6.5 636 483 A 28 LYS HBx A 29 PRO HDy 1.0 1.8 6.5 637 483 A 28 LYS HBy A 29 PRO HDy 1.0 1.8 6.5 638 484 A 28 LYS HGx A 29 PRO HDy 1.0 1.8 6.5 639 485 A 29 PRO HDy A 29 PRO HGy 1.0 1.8 6.5 640 486 A 29 PRO HDx A 28 LYS HBx 1.0 1.8 6.5 641 486 A 28 LYS HBy A 29 PRO HDx 1.0 1.8 6.5 642 487 A 29 PRO HDx A 29 PRO HDy 1.0 1.8 6.5 643 488 A 29 PRO HDx A 29 PRO HGy 1.0 1.8 6.5 644 489 A 29 PRO HBy A 29 PRO HGy 1.0 1.8 6.5 645 490 A 29 PRO HDy A 29 PRO HGy 1.0 1.8 6.5 646 491 A 29 PRO HA A 29 PRO HGy 1.0 1.8 6.5 647 492 A 29 PRO HDx A 29 PRO HGy 1.0 1.8 6.5 648 493 A 30 ILE HG2% A 30 ILE HA 1.0 1.8 6.5 649 494 A 30 ILE HA A 33 ALA HB% 1.0 1.8 6.5 650 495 A 30 ILE HG2% A 30 ILE HB 1.0 1.8 6.5 651 496 A 30 ILE H A 30 ILE HB 1.0 1.8 6.5 652 497 A 10 PHE HBx A 30 ILE HD1% 1.0 1.8 6.5 653 498 A 10 PHE HD% A 30 ILE HD1% 1.0 1.8 6.5 654 499 A 10 PHE HBx A 30 ILE HD1% 1.0 1.8 4.0 655 500 A 20 TRP HE3 A 30 ILE HD1% 1.0 1.8 6.5 656 501 A 30 ILE HD1% A 20 TRP HZ3 1.0 1.8 4.0 657 502 A 20 TRP HE3 A 30 ILE HD1% 1.0 1.8 4.0 658 503 A 30 ILE HD1% A 30 ILE HG1y 1.0 1.8 6.5 659 504 A 30 ILE HD1% A 30 ILE HG1x 1.0 1.8 6.5 660 505 A 30 ILE HD1% A 30 ILE HB 1.0 1.8 6.5 661 506 A 30 ILE HD1% A 43 PHE HE% 1.0 1.8 6.0 662 507 A 30 ILE HD1% A 43 PHE HD% 1.0 1.8 6.0 663 508 A 10 PHE HZ A 30 ILE HG1y 1.0 1.8 6.0 664 508 A 10 PHE HZ A 30 ILE HG1x 1.0 1.8 6.0 665 509 A 10 PHE HEy A 30 ILE HG1x 1.0 1.8 6.0 666 509 A 10 PHE HEy A 30 ILE HG1y 1.0 1.8 6.0 667 509 A 30 ILE HG1x A 10 PHE HEx 1.0 1.8 6.0 668 509 A 10 PHE HEx A 30 ILE HG1y 1.0 1.8 6.0 669 510 A 10 PHE HD% A 30 ILE HG1y 1.0 1.8 6.0 670 510 A 10 PHE HD% A 30 ILE HG1x 1.0 1.8 6.0 671 511 A 10 PHE HBx A 30 ILE HG1x 1.0 1.8 6.0 672 511 A 10 PHE HBx A 30 ILE HG1y 1.0 1.8 6.0 673 512 A 30 ILE HA A 30 ILE HG1y 1.0 1.8 6.0 674 512 A 30 ILE HA A 30 ILE HG1x 1.0 1.8 6.0 675 513 A 43 PHE HD% A 30 ILE HG1y 1.0 1.8 6.0 676 513 A 43 PHE HD% A 30 ILE HG1x 1.0 1.8 6.0 677 514 A 30 ILE HG2% A 30 ILE HG1x 1.0 1.8 5.5 678 515 A 30 ILE HA A 30 ILE HG1x 1.0 1.8 5.5 679 516 A 43 PHE HE% A 30 ILE HG1x 1.0 1.8 6.0 680 517 A 43 PHE HD% A 30 ILE HG1x 1.0 1.8 6.0 681 518 A 20 TRP HZ3 A 30 ILE HG2% 1.0 1.8 4.0 682 519 A 30 ILE HG2% A 30 ILE HA 1.0 1.8 6.5 683 520 A 30 ILE HG2% A 30 ILE HB 1.0 1.8 6.5 684 521 A 30 ILE HG2% A 30 ILE HG1x 1.0 1.8 6.5 685 522 A 30 ILE HG2% A 30 ILE HA 1.0 1.8 4.0 686 523 A 30 ILE HG2% A 34 LEU HG 1.0 1.8 6.5 687 524 A 30 ILE HG2% A 43 PHE HE% 1.0 1.8 6.0 688 525 A 43 PHE HD% A 30 ILE HG2% 1.0 1.8 6.0 689 526 A 30 ILE H A 29 PRO HDx 1.0 1.8 5.5 690 527 A 30 ILE H A 30 ILE HG1x 1.0 1.8 5.5 691 528 A 30 ILE H A 30 ILE HG1y 1.0 1.8 5.5 692 528 A 30 ILE H A 30 ILE HG1x 1.0 1.8 5.5 693 529 A 30 ILE H A 30 ILE HB 1.0 1.8 5.5 694 530 A 31 ALA H A 30 ILE H 1.0 1.8 5.5 695 531 A 30 ILE H A 33 ALA H 1.0 1.8 5.5 696 532 A 26 THR HG2% A 31 ALA HA 1.0 1.8 6.5 697 533 A 26 THR H A 31 ALA HA 1.0 1.8 6.5 698 534 A 31 ALA HB% A 31 ALA HA 1.0 1.8 6.5 699 535 A 31 ALA HA A 31 ALA H 1.0 1.8 6.5 700 536 A 31 ALA HA A 32 GLN HBx 1.0 1.8 6.5 701 537 A 31 ALA HA A 34 LEU HD21 1.0 1.8 6.5 702 537 A 31 ALA HA A 34 LEU HD11 1.0 1.8 6.5 703 538 A 31 ALA HA A 34 LEU HG 1.0 1.8 6.5 704 539 A 31 ALA HA A 34 LEU H 1.0 1.8 6.5 705 540 A 26 THR HG2% A 31 ALA HB% 1.0 1.8 6.5 706 541 A 26 THR HB A 31 ALA HB% 1.0 1.8 6.5 707 542 A 26 THR HB A 31 ALA HB% 1.0 1.8 5.5 708 543 A 31 ALA HB% A 27 PRO HGx 1.0 1.8 6.5 709 544 A 31 ALA HB% A 30 ILE HG2% 1.0 1.8 6.5 710 545 A 31 ALA HB% A 31 ALA H 1.0 1.8 6.5 711 546 A 31 ALA HB% A 31 ALA HA 1.0 1.8 5.5 712 547 A 31 ALA HB% A 32 GLN HA 1.0 1.8 6.5 713 548 A 31 ALA HB% A 32 GLN H 1.0 1.8 6.5 714 549 A 31 ALA HB% A 32 GLN HA 1.0 1.8 5.5 715 550 A 26 THR HG2% A 31 ALA H 1.0 1.8 6.0 716 551 A 28 LYS HA A 31 ALA H 1.0 1.8 5.5 717 552 A 31 ALA H A 30 ILE HG1y 1.0 1.8 5.5 718 552 A 31 ALA H A 30 ILE HG1x 1.0 1.8 5.5 719 553 A 31 ALA H A 30 ILE HA 1.0 1.8 5.5 720 554 A 30 ILE HG2% A 31 ALA H 1.0 1.8 5.5 721 555 A 31 ALA H A 30 ILE HB 1.0 1.8 5.5 722 556 A 31 ALA H A 30 ILE H 1.0 1.8 5.5 723 557 A 31 ALA HA A 31 ALA H 1.0 1.8 5.5 724 558 A 31 ALA HB% A 31 ALA H 1.0 1.8 5.5 725 559 A 31 ALA H A 32 GLN HBx 1.0 1.8 5.5 726 560 A 31 ALA H A 32 GLN H 1.0 1.8 5.5 727 561 A 32 GLN HA A 32 GLN HBx 1.0 1.8 6.5 728 562 A 32 GLN HBy A 32 GLN HA 1.0 1.8 6.5 729 563 A 32 GLN HA A 32 GLN H 1.0 1.8 6.5 730 564 A 32 GLN HA A 32 GLN HGy 1.0 1.8 6.5 731 565 A 33 ALA H A 32 GLN HA 1.0 1.8 6.5 732 566 A 32 GLN HA A 35 ALA HB% 1.0 1.8 6.5 733 567 A 32 GLN HA A 35 ALA H 1.0 1.8 6.5 734 568 A 32 GLN HA A 32 GLN HBx 1.0 1.8 5.5 735 568 A 32 GLN HBy A 32 GLN HA 1.0 1.8 5.5 736 569 A 32 GLN HBy A 32 GLN H 1.0 1.8 6.5 737 570 A 29 PRO HA A 32 GLN HBx 1.0 1.8 6.5 738 571 A 33 ALA H A 32 GLN HBx 1.0 1.8 6.5 739 572 A 32 GLN HE2x A 32 GLN HGy 1.0 1.8 5.5 740 572 A 32 GLN HE2x A 32 GLN HGx 1.0 1.8 5.5 741 573 A 29 PRO HA A 32 GLN HGy 1.0 1.8 6.5 742 574 A 32 GLN HA A 32 GLN HGy 1.0 1.8 6.5 743 575 A 32 GLN HBx A 32 GLN HGy 1.0 1.8 6.5 744 576 A 32 GLN H A 32 GLN HGy 1.0 1.8 6.5 745 577 A 32 GLN HE2y A 32 GLN HGy 1.0 1.8 6.5 746 578 A 32 GLN HE2x A 32 GLN HGy 1.0 1.8 6.5 747 579 A 29 PRO HA A 32 GLN HGx 1.0 1.8 6.5 748 580 A 32 GLN H A 32 GLN HGx 1.0 1.8 6.5 749 581 A 32 GLN HA A 32 GLN HGx 1.0 1.8 6.5 750 582 A 32 GLN HGx A 32 GLN HE2y 1.0 1.8 6.5 751 583 A 32 GLN HE2x A 32 GLN HGx 1.0 1.8 6.5 752 584 A 30 ILE HA A 32 GLN H 1.0 1.8 5.5 753 585 A 30 ILE H A 32 GLN H 1.0 1.8 5.5 754 586 A 31 ALA HA A 32 GLN H 1.0 1.8 5.5 755 587 A 31 ALA H A 32 GLN H 1.0 1.8 5.5 756 588 A 31 ALA HB% A 32 GLN H 1.0 1.8 5.5 757 589 A 32 GLN H A 32 GLN HE2y 1.0 1.8 5.5 758 590 A 32 GLN H A 32 GLN HGy 1.0 1.8 5.5 759 590 A 32 GLN H A 32 GLN HGx 1.0 1.8 5.5 760 591 A 32 GLN H A 32 GLN HBx 1.0 1.8 5.5 761 592 A 32 GLN HA A 32 GLN H 1.0 1.8 5.5 762 593 A 32 GLN H A 32 GLN HBx 1.0 1.8 5.5 763 593 A 32 GLN HBy A 32 GLN H 1.0 1.8 5.5 764 594 A 33 ALA HB% A 32 GLN H 1.0 1.8 5.5 765 595 A 32 GLN H A 33 ALA HA 1.0 1.8 5.5 766 596 A 33 ALA H A 32 GLN H 1.0 1.8 5.5 767 597 A 33 ALA HB% A 33 ALA HA 1.0 1.8 6.5 768 598 A 33 ALA H A 33 ALA HA 1.0 1.8 6.5 769 599 A 34 LEU H A 33 ALA HA 1.0 1.8 6.5 770 600 A 33 ALA HA A 36 GLU HBx 1.0 1.8 6.5 771 601 A 33 ALA HA A 36 GLU HGx 1.0 1.8 6.5 772 602 A 33 ALA HA A 36 GLU H 1.0 1.8 6.5 773 603 A 33 ALA HA A 36 GLU HGy 1.0 1.8 6.5 774 604 A 30 ILE HA A 33 ALA HB% 1.0 1.8 6.5 775 605 A 33 ALA HB% A 33 ALA H 1.0 1.8 6.5 776 606 A 33 ALA HB% A 33 ALA HA 1.0 1.8 6.5 777 607 A 33 ALA HB% A 34 LEU H 1.0 1.8 6.5 778 608 A 33 ALA HB% A 34 LEU HD21 1.0 1.8 6.5 779 608 A 33 ALA HB% A 34 LEU HD11 1.0 1.8 6.5 780 609 A 33 ALA HB% A 38 LYS HBy 1.0 1.8 6.5 781 610 A 33 ALA HB% A 43 PHE HE% 1.0 1.8 6.5 782 611 A 43 PHE HD% A 33 ALA HB% 1.0 1.8 6.0 783 612 A 30 ILE HA A 33 ALA H 1.0 1.8 5.5 784 613 A 33 ALA H A 32 GLN HA 1.0 1.8 5.5 785 614 A 33 ALA H A 32 GLN HBx 1.0 1.8 5.5 786 614 A 32 GLN HBy A 33 ALA H 1.0 1.8 5.5 787 615 A 33 ALA H A 32 GLN HBx 1.0 1.8 5.5 788 616 A 33 ALA H A 33 ALA HA 1.0 1.8 5.5 789 617 A 33 ALA HB% A 33 ALA H 1.0 1.8 5.5 790 618 A 33 ALA H A 34 LEU H 1.0 1.8 5.5 791 619 A 34 LEU HG A 33 ALA H 1.0 1.8 5.5 792 620 A 33 ALA H A 35 ALA HB% 1.0 1.8 6.0 793 621 A 34 LEU HA A 34 LEU HD21 1.0 1.8 6.5 794 621 A 34 LEU HD11 A 34 LEU HA 1.0 1.8 6.5 795 622 A 34 LEU HA A 34 LEU HBx 1.0 1.8 6.5 796 623 A 34 LEU H A 34 LEU HA 1.0 1.8 6.5 797 624 A 34 LEU HA A 38 LYS H 1.0 1.8 6.5 798 625 A 34 LEU H A 34 LEU HBy 1.0 1.8 6.5 799 626 A 35 ALA H A 34 LEU HBy 1.0 1.8 6.5 800 627 A 34 LEU HBx A 34 LEU HD21 1.0 1.8 6.5 801 627 A 34 LEU HD11 A 34 LEU HBx 1.0 1.8 6.5 802 628 A 34 LEU HA A 34 LEU HBx 1.0 1.8 6.5 803 629 A 34 LEU H A 34 LEU HBx 1.0 1.8 6.5 804 630 A 22 GLY H A 34 LEU HD21 1.0 1.8 6.5 805 630 A 34 LEU HD11 A 22 GLY H 1.0 1.8 6.5 806 631 A 31 ALA HA A 34 LEU HD21 1.0 1.8 6.5 807 631 A 31 ALA HA A 34 LEU HD11 1.0 1.8 6.5 808 632 A 34 LEU HA A 34 LEU HD21 1.0 1.8 6.5 809 632 A 34 LEU HD11 A 34 LEU HA 1.0 1.8 6.5 810 633 A 34 LEU HBx A 34 LEU HD21 1.0 1.8 6.5 811 633 A 34 LEU HD11 A 34 LEU HBx 1.0 1.8 6.5 812 634 A 34 LEU H A 34 LEU HD21 1.0 1.8 6.5 813 634 A 34 LEU HD11 A 34 LEU H 1.0 1.8 6.5 814 635 A 39 SER HA A 34 LEU HD21 1.0 1.8 6.5 815 635 A 39 SER HA A 34 LEU HD11 1.0 1.8 6.5 816 636 A 40 LEU H A 34 LEU HD21 1.0 1.8 6.5 817 636 A 34 LEU HD11 A 40 LEU H 1.0 1.8 6.5 818 637 A 30 ILE HG2% A 34 LEU H 1.0 1.8 6.0 819 638 A 31 ALA HA A 34 LEU H 1.0 1.8 5.5 820 639 A 34 LEU H A 32 GLN HA 1.0 1.8 5.5 821 640 A 33 ALA H A 34 LEU H 1.0 1.8 5.5 822 641 A 34 LEU H A 34 LEU HBx 1.0 1.8 5.5 823 642 A 34 LEU H A 34 LEU HD21 1.0 1.8 5.5 824 642 A 34 LEU HD11 A 34 LEU H 1.0 1.8 5.5 825 643 A 34 LEU H A 34 LEU HA 1.0 1.8 5.5 826 644 A 34 LEU HG A 34 LEU H 1.0 1.8 5.5 827 645 A 34 LEU H A 35 ALA H 1.0 1.8 5.5 828 646 A 34 LEU H A 36 GLU H 1.0 1.8 5.5 829 647 A 35 ALA HB% A 35 ALA HA 1.0 1.8 6.5 830 648 A 35 ALA H A 35 ALA HA 1.0 1.8 6.5 831 649 A 36 GLU H A 35 ALA HA 1.0 1.8 6.5 832 650 A 32 GLN HA A 35 ALA HB% 1.0 1.8 5.5 833 651 A 35 ALA HB% A 35 ALA HA 1.0 1.8 6.5 834 652 A 35 ALA HB% A 35 ALA H 1.0 1.8 6.5 835 653 A 35 ALA HB% A 35 ALA HA 1.0 1.8 4.0 836 654 A 31 ALA HA A 35 ALA H 1.0 1.8 5.5 837 655 A 32 GLN HA A 35 ALA H 1.0 1.8 5.5 838 656 A 35 ALA H A 34 LEU HD21 1.0 1.8 5.5 839 656 A 34 LEU HD11 A 35 ALA H 1.0 1.8 5.5 840 657 A 34 LEU H A 35 ALA H 1.0 1.8 5.5 841 658 A 35 ALA H A 35 ALA HA 1.0 1.8 5.5 842 659 A 35 ALA HB% A 35 ALA H 1.0 1.8 5.5 843 660 A 35 ALA H A 36 GLU H 1.0 1.8 5.5 844 661 A 35 ALA H A 38 LYS H 1.0 1.8 5.5 845 662 A 36 GLU HBy A 36 GLU HGy 1.0 1.8 6.5 846 663 A 36 GLU H A 36 GLU HBy 1.0 1.8 6.5 847 664 A 36 GLU HBx A 36 GLU H 1.0 1.8 6.5 848 665 A 36 GLU HBx A 37 GLY HAy 1.0 1.8 5.5 849 666 A 36 GLU HGy A 36 GLU HGx 1.0 1.8 6.5 850 667 A 36 GLU HBx A 36 GLU HGy 1.0 1.8 6.5 851 668 A 36 GLU HA A 36 GLU HGy 1.0 1.8 6.5 852 669 A 36 GLU H A 36 GLU HGy 1.0 1.8 6.5 853 670 A 32 GLN HE2y A 36 GLU HGx 1.0 1.8 6.0 854 671 A 36 GLU HA A 36 GLU HGx 1.0 1.8 6.5 855 672 A 36 GLU H A 36 GLU HGx 1.0 1.8 6.5 856 673 A 34 LEU H A 36 GLU H 1.0 1.8 5.5 857 674 A 36 GLU H A 35 ALA HA 1.0 1.8 5.5 858 675 A 35 ALA HB% A 36 GLU H 1.0 1.8 5.5 859 676 A 35 ALA H A 36 GLU H 1.0 1.8 5.5 860 677 A 36 GLU H A 36 GLU HGx 1.0 1.8 5.5 861 677 A 36 GLU H A 36 GLU HGy 1.0 1.8 5.5 862 678 A 36 GLU H A 36 GLU HA 1.0 1.8 5.5 863 679 A 36 GLU H A 36 GLU HGx 1.0 1.8 5.5 864 680 A 36 GLU HBx A 36 GLU H 1.0 1.8 5.5 865 681 A 36 GLU H A 38 LYS H 1.0 1.8 5.5 866 682 A 37 GLY HAy A 37 GLY HAx 1.0 1.8 6.5 867 683 A 37 GLY HAx A 37 GLY H 1.0 1.8 6.5 868 684 A 37 GLY HAy A 37 GLY H 1.0 1.8 6.5 869 685 A 38 LYS HA A 38 LYS HBx 1.0 1.8 6.5 870 686 A 38 LYS HA A 38 LYS HBy 1.0 1.8 6.5 871 687 A 38 LYS HA A 38 LYS HGy 1.0 1.8 6.5 872 688 A 38 LYS H A 38 LYS HA 1.0 1.8 6.5 873 689 A 38 LYS HA A 39 SER H 1.0 1.8 6.5 874 690 A 38 LYS HBx A 38 LYS HBy 1.0 1.8 6.5 875 691 A 38 LYS H A 38 LYS HBy 1.0 1.8 6.5 876 692 A 39 SER H A 38 LYS HBy 1.0 1.8 6.5 877 693 A 34 LEU HA A 38 LYS HBx 1.0 1.8 6.5 878 694 A 38 LYS HBx A 38 LYS HBy 1.0 1.8 6.5 879 695 A 38 LYS H A 38 LYS HBx 1.0 1.8 6.5 880 696 A 38 LYS HA A 38 LYS HBx 1.0 1.8 6.5 881 697 A 39 SER H A 38 LYS HBx 1.0 1.8 6.5 882 698 A 43 PHE HE% A 38 LYS HBx 1.0 1.8 6.5 883 699 A 38 LYS HA A 38 LYS HDx 1.0 1.8 6.5 884 699 A 38 LYS HA A 38 LYS HDy 1.0 1.8 6.5 885 700 A 38 LYS H A 38 LYS HDx 1.0 1.8 6.5 886 700 A 38 LYS H A 38 LYS HDy 1.0 1.8 6.5 887 701 A 39 SER H A 38 LYS HDx 1.0 1.8 6.5 888 701 A 39 SER H A 38 LYS HDy 1.0 1.8 6.5 889 702 A 34 LEU HA A 38 LYS H 1.0 1.8 5.5 890 703 A 36 GLU H A 38 LYS H 1.0 1.8 5.5 891 704 A 38 LYS H A 37 GLY HAy 1.0 1.8 5.5 892 705 A 38 LYS H A 37 GLY H 1.0 1.8 5.5 893 706 A 38 LYS H A 38 LYS HBy 1.0 1.8 5.5 894 706 A 38 LYS H A 38 LYS HBx 1.0 1.8 5.5 895 707 A 38 LYS H A 38 LYS HA 1.0 1.8 5.5 896 708 A 38 LYS H A 38 LYS HBx 1.0 1.8 5.5 897 709 A 38 LYS H A 39 SER H 1.0 1.8 5.5 898 710 A 39 SER HBx A 39 SER HBy 1.0 1.8 6.5 899 711 A 39 SER H A 39 SER HBy 1.0 1.8 6.5 900 712 A 39 SER HA A 39 SER HBy 1.0 1.8 6.5 901 713 A 40 LEU H A 39 SER HBy 1.0 1.8 6.5 902 714 A 41 ASP H A 39 SER HBy 1.0 1.8 6.5 903 715 A 39 SER HBx A 39 SER HBy 1.0 1.8 6.5 904 716 A 39 SER H A 39 SER HBx 1.0 1.8 6.5 905 717 A 39 SER HA A 39 SER HBx 1.0 1.8 6.5 906 718 A 40 LEU H A 39 SER HBx 1.0 1.8 6.5 907 719 A 41 ASP H A 39 SER HBx 1.0 1.8 6.5 908 720 A 38 LYS H A 39 SER H 1.0 1.8 5.5 909 721 A 39 SER H A 38 LYS HBx 1.0 1.8 5.5 910 722 A 39 SER H A 38 LYS HBy 1.0 1.8 5.5 911 722 A 39 SER H A 38 LYS HBx 1.0 1.8 5.5 912 723 A 38 LYS HA A 39 SER H 1.0 1.8 5.5 913 724 A 39 SER H A 39 SER HBx 1.0 1.8 5.5 914 725 A 39 SER HA A 39 SER H 1.0 1.8 5.5 915 726 A 40 LEU H A 39 SER H 1.0 1.8 5.5 916 727 A 39 SER H A 42 ASP HBx 1.0 1.8 5.5 917 728 A 39 SER H A 42 ASP HBx 1.0 1.8 5.5 918 728 A 39 SER H A 42 ASP HBy 1.0 1.8 5.5 919 729 A 34 LEU HD11 A 40 LEU HA 1.0 1.8 6.5 920 730 A 40 LEU HG A 40 LEU HA 1.0 1.8 6.5 921 731 A 40 LEU H A 40 LEU HA 1.0 1.8 6.5 922 732 A 43 PHE HD% A 40 LEU HA 1.0 1.8 6.5 923 733 A 43 PHE HD% A 40 LEU HA 1.0 1.8 6.0 924 734 A 40 LEU HA A 44 LEU H 1.0 1.8 6.5 925 735 A 40 LEU HBy A 40 LEU HDy% 1.0 1.8 6.5 926 736 A 40 LEU HA A 40 LEU HBy 1.0 1.8 6.5 927 737 A 40 LEU H A 40 LEU HBy 1.0 1.8 6.5 928 738 A 40 LEU HDy% A 40 LEU HBx 1.0 1.8 6.5 929 739 A 40 LEU HA A 40 LEU HBx 1.0 1.8 6.5 930 740 A 40 LEU H A 40 LEU HBx 1.0 1.8 6.5 931 741 A 20 TRP HZ3 A 40 LEU HDx% 1.0 1.8 6.5 932 742 A 20 TRP HH2 A 40 LEU HDx% 1.0 1.8 6.5 933 743 A 20 TRP HH2 A 40 LEU HDx% 1.0 1.8 6.0 934 744 A 20 TRP HE3 A 40 LEU HDx% 1.0 1.8 6.0 935 745 A 30 ILE HG2% A 40 LEU HDx% 1.0 1.8 6.5 936 746 A 40 LEU HG A 40 LEU HDx% 1.0 1.8 6.5 937 747 A 40 LEU HA A 40 LEU HDx% 1.0 1.8 6.5 938 748 A 40 LEU H A 40 LEU HDx% 1.0 1.8 6.5 939 749 A 30 ILE HG2% A 40 LEU HDy% 1.0 1.8 6.5 940 750 A 40 LEU HG A 40 LEU HDy% 1.0 1.8 6.5 941 751 A 43 PHE HD% A 40 LEU HDy% 1.0 1.8 6.5 942 752 A 40 LEU H A 39 SER H 1.0 1.8 5.5 943 753 A 40 LEU H A 39 SER HBx 1.0 1.8 5.5 944 754 A 40 LEU H A 39 SER HBy 1.0 1.8 5.5 945 754 A 40 LEU H A 39 SER HBx 1.0 1.8 5.5 946 755 A 39 SER HA A 40 LEU H 1.0 1.8 5.5 947 756 A 40 LEU H A 40 LEU HA 1.0 1.8 5.5 948 757 A 40 LEU H A 40 LEU HDx% 1.0 1.8 5.5 949 758 A 40 LEU HG A 40 LEU H 1.0 1.8 5.5 950 759 A 40 LEU H A 41 ASP H 1.0 1.8 5.5 951 760 A 8 TYR HE% A 41 ASP HA 1.0 1.8 6.5 952 761 A 40 LEU HBx A 41 ASP HA 1.0 1.8 6.5 953 762 A 41 ASP HA A 41 ASP HBy 1.0 1.8 6.5 954 763 A 41 ASP HA A 41 ASP HBx 1.0 1.8 6.5 955 764 A 41 ASP H A 41 ASP HA 1.0 1.8 6.5 956 765 A 41 ASP HA A 42 ASP H 1.0 1.8 6.5 957 766 A 41 ASP HA A 43 PHE H 1.0 1.8 6.5 958 767 A 41 ASP HA A 44 LEU HG 1.0 1.8 6.5 959 768 A 41 ASP HA A 44 LEU HDy% 1.0 1.8 6.5 960 769 A 44 LEU HDx% A 41 ASP HA 1.0 1.8 6.5 961 770 A 44 LEU H A 41 ASP HA 1.0 1.8 6.5 962 771 A 41 ASP HA A 41 ASP HBy 1.0 1.8 6.5 963 772 A 41 ASP H A 41 ASP HBy 1.0 1.8 6.5 964 773 A 42 ASP H A 41 ASP HBy 1.0 1.8 6.5 965 774 A 44 LEU HDy% A 41 ASP HBy 1.0 1.8 6.5 966 775 A 41 ASP HA A 41 ASP HBx 1.0 1.8 6.5 967 776 A 41 ASP H A 41 ASP HBx 1.0 1.8 6.5 968 777 A 42 ASP H A 41 ASP HBx 1.0 1.8 6.5 969 778 A 44 LEU HDy% A 41 ASP HBx 1.0 1.8 6.5 970 779 A 39 SER HA A 41 ASP H 1.0 1.8 5.5 971 780 A 41 ASP H A 39 SER HBy 1.0 1.8 5.5 972 780 A 41 ASP H A 39 SER HBx 1.0 1.8 5.5 973 781 A 41 ASP H A 39 SER HBx 1.0 1.8 5.5 974 782 A 41 ASP H A 40 LEU HA 1.0 1.8 5.5 975 783 A 41 ASP H A 40 LEU HDx% 1.0 1.8 5.5 976 784 A 40 LEU HG A 41 ASP H 1.0 1.8 5.5 977 785 A 40 LEU H A 41 ASP H 1.0 1.8 5.5 978 786 A 41 ASP H A 41 ASP HBx 1.0 1.8 5.5 979 786 A 41 ASP H A 41 ASP HBy 1.0 1.8 5.5 980 787 A 41 ASP H A 41 ASP HA 1.0 1.8 5.5 981 788 A 41 ASP H A 41 ASP HBx 1.0 1.8 5.5 982 789 A 41 ASP H A 42 ASP H 1.0 1.8 5.5 983 790 A 43 PHE HE% A 42 ASP HBx 1.0 1.8 6.0 984 790 A 43 PHE HE% A 42 ASP HBy 1.0 1.8 6.0 985 791 A 42 ASP HBy A 42 ASP H 1.0 1.8 6.5 986 792 A 42 ASP HBy A 42 ASP HA 1.0 1.8 6.5 987 793 A 42 ASP HBy A 42 ASP HBx 1.0 1.8 6.5 988 794 A 42 ASP HA A 42 ASP HBx 1.0 1.8 6.5 989 795 A 42 ASP H A 42 ASP HBx 1.0 1.8 6.5 990 796 A 43 PHE HE% A 42 ASP HBx 1.0 1.8 6.0 991 797 A 43 PHE HD% A 42 ASP HBx 1.0 1.8 6.0 992 798 A 39 SER HA A 42 ASP H 1.0 1.8 5.5 993 799 A 42 ASP H A 39 SER HBy 1.0 1.8 5.5 994 799 A 39 SER HBx A 42 ASP H 1.0 1.8 5.5 995 800 A 40 LEU H A 42 ASP H 1.0 1.8 5.5 996 801 A 40 LEU HA A 42 ASP H 1.0 1.8 5.5 997 802 A 41 ASP HA A 42 ASP H 1.0 1.8 5.5 998 803 A 41 ASP H A 42 ASP H 1.0 1.8 5.5 999 804 A 42 ASP H A 42 ASP HA 1.0 1.8 5.5 1000 805 A 42 ASP H A 42 ASP HBx 1.0 1.8 5.5 1001 806 A 42 ASP H A 42 ASP HBx 1.0 1.8 5.5 1002 806 A 42 ASP HBy A 42 ASP H 1.0 1.8 5.5 1003 807 A 42 ASP H A 43 PHE H 1.0 1.8 5.5 1004 808 A 44 LEU H A 42 ASP H 1.0 1.8 5.5 1005 809 A 43 PHE HD% A 43 PHE HA 1.0 1.8 4.0 1006 810 A 43 PHE HBx A 43 PHE HBy 1.0 1.8 6.5 1007 811 A 43 PHE HA A 43 PHE HBy 1.0 1.8 6.5 1008 812 A 43 PHE HD% A 43 PHE HBy 1.0 1.8 6.5 1009 813 A 10 PHE HD% A 43 PHE HBx 1.0 1.8 6.5 1010 814 A 43 PHE HD% A 43 PHE HBx 1.0 1.8 6.5 1011 815 A 43 PHE H A 43 PHE HBx 1.0 1.8 6.5 1012 816 A 43 PHE HA A 43 PHE HBx 1.0 1.8 6.5 1013 817 A 43 PHE HD% A 43 PHE HBx 1.0 1.8 4.0 1014 818 A 43 PHE HD% A 43 PHE HE% 1.0 1.8 6.0 1015 819 A 43 PHE H A 42 ASP HBx 1.0 1.8 5.5 1016 820 A 43 PHE H A 42 ASP HA 1.0 1.8 5.5 1017 821 A 43 PHE H A 42 ASP HBx 1.0 1.8 5.5 1018 821 A 42 ASP HBy A 43 PHE H 1.0 1.8 5.5 1019 822 A 42 ASP H A 43 PHE H 1.0 1.8 5.5 1020 823 A 43 PHE H A 43 PHE HA 1.0 1.8 5.5 1021 824 A 43 PHE H A 43 PHE HBy 1.0 1.8 5.5 1022 824 A 43 PHE H A 43 PHE HBx 1.0 1.8 5.5 1023 825 A 43 PHE HD% A 43 PHE H 1.0 1.8 5.5 1024 826 A 43 PHE H A 43 PHE HBx 1.0 1.8 5.5 1025 827 A 43 PHE H A 44 LEU HBy 1.0 1.8 5.5 1026 827 A 43 PHE H A 44 LEU HBx 1.0 1.8 5.5 1027 828 A 43 PHE H A 44 LEU HG 1.0 1.8 5.5 1028 829 A 43 PHE HE% A 43 PHE HZ 1.0 1.8 5.5 1029 830 A 43 PHE HD% A 43 PHE HZ 1.0 1.8 6.0 1030 831 A 8 TYR HA A 44 LEU HA 1.0 1.8 6.5 1031 832 A 8 TYR HD% A 44 LEU HA 1.0 1.8 6.5 1032 833 A 8 TYR HE% A 44 LEU HA 1.0 1.8 6.0 1033 834 A 44 LEU HA A 43 PHE H 1.0 1.8 6.5 1034 835 A 44 LEU HA A 44 LEU HBx 1.0 1.8 6.5 1035 836 A 44 LEU HA A 44 LEU H 1.0 1.8 6.5 1036 837 A 44 LEU HA A 44 LEU HBy 1.0 1.8 6.5 1037 838 A 44 LEU HA A 44 LEU HG 1.0 1.8 6.5 1038 839 A 44 LEU HA A 44 LEU HDy% 1.0 1.8 6.5 1039 840 A 45 ILE H A 44 LEU HA 1.0 1.8 6.5 1040 841 A 44 LEU HA A 45 ILE HB 1.0 1.8 6.5 1041 842 A 44 LEU HDy% A 44 LEU HBx 1.0 1.8 6.5 1042 843 A 44 LEU H A 44 LEU HBx 1.0 1.8 6.5 1043 844 A 44 LEU HDx% A 44 LEU HBx 1.0 1.8 6.5 1044 845 A 44 LEU H A 44 LEU HBx 1.0 1.8 6.5 1045 846 A 44 LEU HA A 44 LEU HBx 1.0 1.8 6.5 1046 847 A 44 LEU HDx% A 44 LEU HBx 1.0 1.8 6.5 1047 848 A 44 LEU HA A 44 LEU HBx 1.0 1.8 6.5 1048 849 A 8 TYR HE% A 44 LEU HDx% 1.0 1.8 5.0 1049 850 A 8 TYR HD% A 44 LEU HDx% 1.0 1.8 5.0 1050 851 A 44 LEU HDx% A 41 ASP HA 1.0 1.8 6.5 1051 852 A 44 LEU HDx% A 44 LEU HDy% 1.0 1.8 6.5 1052 853 A 44 LEU HDx% A 44 LEU HA 1.0 1.8 6.5 1053 854 A 44 LEU HDx% A 44 LEU HG 1.0 1.8 6.5 1054 855 A 44 LEU HDx% A 44 LEU HBx 1.0 1.8 6.5 1055 856 A 44 LEU HDx% A 44 LEU HBy 1.0 1.8 6.5 1056 857 A 44 LEU HDx% A 44 LEU H 1.0 1.8 6.5 1057 858 A 44 LEU HDx% A 44 LEU HDy% 1.0 1.8 5.5 1058 859 A 45 ILE H A 44 LEU HDx% 1.0 1.8 6.5 1059 860 A 44 LEU HDx% A 45 ILE HB 1.0 1.8 6.5 1060 861 A 45 ILE H A 44 LEU HDx% 1.0 1.8 6.0 1061 862 A 8 TYR HE% A 44 LEU HDy% 1.0 1.8 6.5 1062 863 A 8 TYR HD% A 44 LEU HDy% 1.0 1.8 6.0 1063 864 A 41 ASP HA A 44 LEU HDy% 1.0 1.8 6.5 1064 865 A 44 LEU HDy% A 41 ASP HBy 1.0 1.8 6.5 1065 866 A 44 LEU HDy% A 41 ASP HBx 1.0 1.8 6.5 1066 867 A 44 LEU HDy% A 41 ASP HBx 1.0 1.8 6.0 1067 867 A 44 LEU HDy% A 41 ASP HBy 1.0 1.8 6.0 1068 868 A 44 LEU HDy% A 44 LEU HBy 1.0 1.8 6.5 1069 869 A 44 LEU HDy% A 44 LEU HBx 1.0 1.8 6.5 1070 870 A 44 LEU H A 44 LEU HDy% 1.0 1.8 6.5 1071 871 A 44 LEU HA A 44 LEU HDy% 1.0 1.8 6.5 1072 872 A 44 LEU H A 41 ASP HA 1.0 1.8 5.5 1073 873 A 44 LEU H A 42 ASP H 1.0 1.8 5.5 1074 874 A 44 LEU H A 42 ASP HA 1.0 1.8 5.5 1075 875 A 44 LEU H A 43 PHE HBx 1.0 1.8 5.5 1076 876 A 44 LEU H A 43 PHE HA 1.0 1.8 5.5 1077 877 A 44 LEU H A 43 PHE H 1.0 1.8 5.5 1078 878 A 44 LEU H A 44 LEU HDy% 1.0 1.8 5.5 1079 879 A 44 LEU HDx% A 44 LEU H 1.0 1.8 5.5 1080 880 A 44 LEU H A 44 LEU HBx 1.0 1.8 5.5 1081 881 A 44 LEU H A 44 LEU HBy 1.0 1.8 5.5 1082 881 A 44 LEU H A 44 LEU HBx 1.0 1.8 5.5 1083 882 A 45 ILE HA A 7 LYS HDy 1.0 1.8 6.5 1084 883 A 8 TYR HD% A 45 ILE HA 1.0 1.8 6.0 1085 884 A 45 ILE HA A 9 LYS HDx 1.0 1.8 6.5 1086 884 A 45 ILE HA A 9 LYS HDy 1.0 1.8 6.5 1087 885 A 45 ILE HA A 9 LYS HEx 1.0 1.8 6.5 1088 885 A 45 ILE HA A 9 LYS HEy 1.0 1.8 6.5 1089 886 A 45 ILE HA A 9 LYS HBx 1.0 1.8 6.5 1090 886 A 45 ILE HA A 9 LYS HBy 1.0 1.8 6.5 1091 887 A 45 ILE HA A 45 ILE HG2% 1.0 1.8 6.5 1092 888 A 45 ILE H A 45 ILE HA 1.0 1.8 6.5 1093 889 A 45 ILE HA A 45 ILE HD1% 1.0 1.8 6.5 1094 890 A 45 ILE HG2% A 45 ILE HB 1.0 1.8 6.5 1095 891 A 45 ILE H A 45 ILE HB 1.0 1.8 6.5 1096 892 A 45 ILE HD1% A 45 ILE HB 1.0 1.8 6.5 1097 893 A 45 ILE HA A 45 ILE HB 1.0 1.8 6.5 1098 894 A 7 LYS HA A 45 ILE HD1% 1.0 1.8 6.5 1099 895 A 8 TYR HA A 45 ILE HD1% 1.0 1.8 6.5 1100 896 A 8 TYR H A 45 ILE HD1% 1.0 1.8 6.5 1101 897 A 45 ILE HD1% A 45 ILE HG2% 1.0 1.8 6.5 1102 898 A 45 ILE H A 45 ILE HD1% 1.0 1.8 6.5 1103 899 A 45 ILE HA A 45 ILE HD1% 1.0 1.8 6.5 1104 900 A 45 ILE HG2% A 9 LYS HBx 1.0 1.8 6.5 1105 900 A 9 LYS HBy A 45 ILE HG2% 1.0 1.8 6.5 1106 901 A 45 ILE HG2% A 45 ILE HB 1.0 1.8 6.5 1107 902 A 45 ILE HA A 45 ILE HG2% 1.0 1.8 6.5 1108 903 A 45 ILE HA A 45 ILE HG2% 1.0 1.8 6.5 1109 904 A 45 ILE H A 45 ILE HG2% 1.0 1.8 6.5 1110 905 A 45 ILE H A 8 TYR HBx 1.0 1.8 5.5 1111 906 A 8 TYR HD% A 45 ILE H 1.0 1.8 5.5 1112 907 A 8 TYR HA A 45 ILE H 1.0 1.8 5.5 1113 908 A 45 ILE H A 9 LYS H 1.0 1.8 5.5 1114 909 A 45 ILE H A 44 LEU H 1.0 1.8 5.5 1115 910 A 45 ILE H A 44 LEU HBy 1.0 1.8 5.5 1116 910 A 45 ILE H A 44 LEU HBx 1.0 1.8 5.5 1117 911 A 45 ILE H A 44 LEU HDx% 1.0 1.8 5.5 1118 912 A 45 ILE H A 44 LEU HA 1.0 1.8 5.5 1119 913 A 7 LYS HDy A 7 LYS HGx 1.0 1.8 5.5 1120 913 A 7 LYS HDx A 7 LYS HGx 1.0 1.8 5.5 1121 913 A 7 LYS HGy A 7 LYS HDy 1.0 1.8 5.5 1122 913 A 7 LYS HGy A 7 LYS HDx 1.0 1.8 5.5 1123 914 A 7 LYS HBy A 7 LYS HGx 1.0 1.8 5.5 1124 914 A 7 LYS HGy A 7 LYS HBy 1.0 1.8 5.5 1125 914 A 7 LYS HBx A 7 LYS HGy 1.0 1.8 5.5 1126 914 A 7 LYS HBx A 7 LYS HGx 1.0 1.8 5.5 1127 915 A 7 LYS HA A 7 LYS HGx 1.0 1.8 5.5 1128 915 A 7 LYS HA A 7 LYS HGy 1.0 1.8 5.5 1129 916 A 7 LYS HA A 7 LYS HEx 1.0 1.8 5.5 1130 916 A 7 LYS HA A 7 LYS HEy 1.0 1.8 5.5 1131 917 A 7 LYS HBx A 7 LYS HEx 1.0 1.8 5.5 1132 917 A 7 LYS HEy A 7 LYS HBy 1.0 1.8 5.5 1133 917 A 7 LYS HBx A 7 LYS HEy 1.0 1.8 5.5 1134 917 A 7 LYS HBy A 7 LYS HEx 1.0 1.8 5.5 1135 918 A 8 TYR HE% A 7 LYS HEx 1.0 1.8 5.5 1136 918 A 8 TYR HE% A 7 LYS HEy 1.0 1.8 5.5 1137 919 A 12 ASP H A 12 ASP HA 1.0 1.8 5.5 1138 920 A 12 ASP HA A 18 LYS H 1.0 1.8 5.5 1139 921 A 10 PHE HEy A 12 ASP HA 1.0 1.8 5.5 1140 921 A 12 ASP HA A 10 PHE HEx 1.0 1.8 5.5 1141 922 A 10 PHE HD% A 12 ASP HA 1.0 1.8 5.5 1142 923 A 12 ASP HA A 20 TRP HD1 1.0 1.8 5.5 1143 924 A 12 ASP HA A 16 GLU HGx 1.0 1.8 6.5 1144 924 A 12 ASP HA A 16 GLU HGy 1.0 1.8 6.5 1145 925 A 12 ASP HA A 23 GLN HBx 1.0 1.8 6.5 1146 925 A 12 ASP HA A 23 GLN HBy 1.0 1.8 6.5 1147 926 A 12 ASP HA A 13 VAL HGy% 1.0 1.8 5.5 1148 926 A 12 ASP HA A 13 VAL HGx% 1.0 1.8 5.5 1149 927 A 12 ASP HA A 27 PRO HDy 1.0 1.8 5.5 1150 927 A 12 ASP HA A 27 PRO HDx 1.0 1.8 5.5 1151 928 A 12 ASP HA A 12 ASP HBx 1.0 1.8 5.5 1152 928 A 12 ASP HA A 12 ASP HBy 1.0 1.8 5.5 1153 929 A 11 THR HA A 12 ASP HBx 1.0 1.8 5.5 1154 929 A 11 THR HA A 12 ASP HBy 1.0 1.8 5.5 1155 930 A 13 VAL HGx% A 14 ASN HBy 1.0 1.8 6.0 1156 930 A 13 VAL HGy% A 14 ASN HBy 1.0 1.8 6.0 1157 930 A 14 ASN HBx A 13 VAL HGy% 1.0 1.8 6.0 1158 930 A 14 ASN HBx A 13 VAL HGx% 1.0 1.8 6.0 1159 931 A 12 ASP HA A 13 VAL HGy% 1.0 1.8 5.5 1160 931 A 12 ASP HA A 13 VAL HGx% 1.0 1.8 5.5 1161 932 A 15 GLY H A 13 VAL HGy% 1.0 1.8 5.5 1162 932 A 15 GLY H A 13 VAL HGx% 1.0 1.8 5.5 1163 933 A 13 VAL HB A 26 THR HB 1.0 1.8 5.5 1164 934 A 13 VAL HA A 14 ASN HBy 1.0 1.8 5.5 1165 934 A 13 VAL HA A 14 ASN HBx 1.0 1.8 5.5 1166 935 A 13 VAL HA A 25 ARG HBx 1.0 1.8 5.5 1167 935 A 13 VAL HA A 25 ARG HBy 1.0 1.8 5.5 1168 936 A 15 GLY H A 13 VAL HA 1.0 1.8 5.5 1169 937 A 27 PRO HBx A 29 PRO HDy 1.0 1.8 6.5 1170 937 A 27 PRO HBx A 29 PRO HDx 1.0 1.8 6.5 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 2 GLN C A 3 PRO N A 3 PRO CA A 3 PRO C 1.0 -79.5 -59.5 PHI 2 2 A 4 ARG C A 5 PRO N A 5 PRO CA A 5 PRO C 1.0 -76.0 -58.0 PHI 3 3 A 5 PRO C A 6 ALA N A 6 ALA CA A 6 ALA C 1.0 -120.0 -60.0 PHI 4 4 A 6 ALA C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -162.0 -102.0 PHI 5 5 A 7 LYS C A 8 TYR N A 8 TYR CA A 8 TYR C 1.0 -147.0 -113.0 PHI 6 6 A 8 TYR C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 -140.0 -122.0 PHI 7 7 A 9 LYS C A 10 PHE N A 10 PHE CA A 10 PHE C 1.0 -161.0 -129.0 PHI 8 8 A 10 PHE C A 11 THR N A 11 THR CA A 11 THR C 1.0 -117.0 -93.0 PHI 9 9 A 12 ASP C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -80.0 -50.0 PHI 10 10 A 13 VAL C A 14 ASN N A 14 ASN CA A 14 ASN C 1.0 -99.0 -79.0 PHI 11 11 A 14 ASN C A 15 GLY N A 15 GLY CA A 15 GLY C 1.0 84.5 106.5 PHI 12 12 A 15 GLY C A 16 GLU N A 16 GLU CA A 16 GLU C 1.0 -92.0 -68.0 PHI 13 13 A 17 THR C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -139.0 -115.0 PHI 14 14 A 19 THR C A 20 TRP N A 20 TRP CA A 20 TRP C 1.0 -143.0 -117.0 PHI 15 15 A 20 TRP C A 21 THR N A 21 THR CA A 21 THR C 1.0 -129.0 -87.0 PHI 16 16 A 21 THR C A 22 GLY N A 22 GLY CA A 22 GLY C 1.0 -160.5 -113.5 PHI 17 17 A 22 GLY C A 23 GLN N A 23 GLN CA A 23 GLN C 1.0 -133.0 -83.0 PHI 18 18 A 25 ARG C A 26 THR N A 26 THR CA A 26 THR C 1.0 -110.5 -68.5 PHI 19 19 A 26 THR C A 27 PRO N A 27 PRO CA A 27 PRO C 1.0 -108.0 -44.0 PHI 20 20 A 27 PRO C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -60.0 -46.0 PHI 21 21 A 28 LYS C A 29 PRO N A 29 PRO CA A 29 PRO C 1.0 -66.0 -52.0 PHI 22 22 A 29 PRO C A 30 ILE N A 30 ILE CA A 30 ILE C 1.0 -76.0 -60.0 PHI 23 23 A 30 ILE C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -69.0 -57.0 PHI 24 24 A 31 ALA C A 32 GLN N A 32 GLN CA A 32 GLN C 1.0 -68.0 -60.0 PHI 25 25 A 32 GLN C A 33 ALA N A 33 ALA CA A 33 ALA C 1.0 -69.0 -55.0 PHI 26 26 A 33 ALA C A 34 LEU N A 34 LEU CA A 34 LEU C 1.0 -73.0 -59.0 PHI 27 27 A 34 LEU C A 35 ALA N A 35 ALA CA A 35 ALA C 1.0 -73.5 -62.5 PHI 28 28 A 35 ALA C A 36 GLU N A 36 GLU CA A 36 GLU C 1.0 -90.0 -76.0 PHI 29 29 A 36 GLU C A 37 GLY N A 37 GLY CA A 37 GLY C 1.0 80.0 110.0 PHI 30 30 A 37 GLY C A 38 LYS N A 38 LYS CA A 38 LYS C 1.0 -90.0 -66.0 PHI 31 31 A 38 LYS C A 39 SER N A 39 SER CA A 39 SER C 1.0 -145.0 -91.0 PHI 32 32 A 39 SER C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -62.8 -54.8 PHI 33 33 A 40 LEU C A 41 ASP N A 41 ASP CA A 41 ASP C 1.0 -66.0 -56.0 PHI 34 34 A 42 ASP C A 43 PHE N A 43 PHE CA A 43 PHE C 1.0 -111.0 -67.0 PHI 35 35 A 43 PHE C A 44 LEU N A 44 LEU CA A 44 LEU C 1.0 -93.0 -61.0 PHI 36 36 A 44 LEU C A 45 ILE N A 45 ILE CA A 45 ILE C 1.0 34.0 74.0 PHI 37 37 A 4 ARG N A 4 ARG CA A 4 ARG C A 5 PRO N 1.0 114.0 154.0 PSI 38 38 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 TYR N 1.0 134.1 166.9 PSI 39 39 A 8 TYR N A 8 TYR CA A 8 TYR C A 9 LYS N 1.0 135.5 161.5 PSI 40 40 A 9 LYS N A 9 LYS CA A 9 LYS C A 10 PHE N 1.0 128.0 158.0 PSI 41 41 A 10 PHE N A 10 PHE CA A 10 PHE C A 11 THR N 1.0 132.0 168.0 PSI 42 42 A 11 THR N A 11 THR CA A 11 THR C A 12 ASP N 1.0 114.0 132.0 PSI 43 43 A 12 ASP N A 12 ASP CA A 12 ASP C A 13 VAL N 1.0 155.5 187.5 PSI 44 44 A 13 VAL N A 13 VAL CA A 13 VAL C A 14 ASN N 1.0 -39.0 1.0 PSI 45 45 A 20 TRP N A 20 TRP CA A 20 TRP C A 21 THR N 1.0 117.0 141.0 PSI 46 46 A 27 PRO N A 27 PRO CA A 27 PRO C A 28 LYS N 1.0 119.0 151.0 PSI 47 47 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 PRO N 1.0 -54.0 -34.0 PSI 48 48 A 30 ILE N A 30 ILE CA A 30 ILE C A 31 ALA N 1.0 -45.0 -33.0 PSI 49 49 A 31 ALA N A 31 ALA CA A 31 ALA C A 32 GLN N 1.0 -50.0 -36.0 PSI 50 50 A 32 GLN N A 32 GLN CA A 32 GLN C A 33 ALA N 1.0 -45.0 -33.0 PSI 51 51 A 33 ALA N A 33 ALA CA A 33 ALA C A 34 LEU N 1.0 -48.0 -38.0 PSI 52 52 A 34 LEU N A 34 LEU CA A 34 LEU C A 35 ALA N 1.0 -46.0 -34.0 PSI 53 53 A 35 ALA N A 35 ALA CA A 35 ALA C A 36 GLU N 1.0 -34.0 -14.0 PSI 54 54 A 36 GLU N A 36 GLU CA A 36 GLU C A 37 GLY N 1.0 -19.0 5.0 PSI 55 55 A 38 LYS N A 38 LYS CA A 38 LYS C A 39 SER N 1.0 123.0 161.0 PSI 56 56 A 42 ASP N A 42 ASP CA A 42 ASP C A 43 PHE N 1.0 -42.0 -26.0 PSI 57 57 A 44 LEU N A 44 LEU CA A 44 LEU C A 45 ILE N 1.0 107.0 131.0 PSI 58 58 A 11 THR C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -142.0 -22.0 PHI 59 59 A 16 GLU C A 17 THR N A 17 THR CA A 17 THR C 1.0 -180.0 -60.0 PHI 60 60 A 18 LYS C A 19 THR N A 19 THR CA A 19 THR C 1.0 -183.0 -63.0 PHI 61 61 A 24 GLY C A 25 ARG N A 25 ARG CA A 25 ARG C 1.0 -147.0 -27.0 PHI 62 62 A 41 ASP C A 42 ASP N A 42 ASP CA A 42 ASP C 1.0 -97.0 -37.0 PHI 63 63 A 3 PRO N A 3 PRO CA A 3 PRO C A 4 ARG N 1.0 117.0 177.0 PSI 64 64 A 5 PRO N A 5 PRO CA A 5 PRO C A 6 ALA N 1.0 92.5 212.5 PSI 65 65 A 14 ASN N A 14 ASN CA A 14 ASN C A 15 GLY N 1.0 -19.0 21.0 PSI 66 66 A 15 GLY N A 15 GLY CA A 15 GLY C A 16 GLU N 1.0 -32.6 27.4 PSI 67 67 A 16 GLU N A 16 GLU CA A 16 GLU C A 17 THR N 1.0 73.0 193.0 PSI 68 68 A 17 THR N A 17 THR CA A 17 THR C A 18 LYS N 1.0 66.0 186.0 PSI 69 69 A 18 LYS N A 18 LYS CA A 18 LYS C A 19 THR N 1.0 98.0 218.0 PSI 70 70 A 19 THR N A 19 THR CA A 19 THR C A 20 TRP N 1.0 121.0 181.0 PSI 71 71 A 25 ARG N A 25 ARG CA A 25 ARG C A 26 THR N 1.0 92.0 172.0 PSI 72 72 A 29 PRO N A 29 PRO CA A 29 PRO C A 30 ILE N 1.0 -66.0 -6.0 PSI 73 73 A 37 GLY N A 37 GLY CA A 37 GLY C A 38 LYS N 1.0 -24.0 36.0 PSI 74 74 A 39 SER N A 39 SER CA A 39 SER C A 40 LEU N 1.0 120.0 210.0 PSI 75 75 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 ASP N 1.0 -80.0 0.0 PSI 76 76 A 41 ASP N A 41 ASP CA A 41 ASP C A 42 ASP N 1.0 -71.0 -11.0 PSI 77 77 A 43 PHE N A 43 PHE CA A 43 PHE C A 44 LEU N 1.0 -56.0 34.0 PSI stop_ save_