data_nef_c16620_2kr1 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 44 CYS SG 1 52 CYS SG 1 39 CYS SG 2 1 ZN ZN 1 49 CYS SG 2 1 ZN ZN 1 78 CYS SG 2 1 ZN ZN 1 44 CYS SG 2 1 ZN ZN stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A -17 MET start . . 2 A -16 HIS middle . . 3 A -15 HIS middle . . 4 A -14 HIS middle . . 5 A -13 HIS middle . . 6 A -12 HIS middle . . 7 A -11 HIS middle . . 8 A -10 SER middle . . 9 A -9 SER middle . . 10 A -8 GLY middle . false 11 A -7 ARG middle . . 12 A -6 GLU middle . . 13 A -5 ASN middle . . 14 A -4 LEU middle . . 15 A -3 TYR middle . . 16 A -2 PHE middle . . 17 A -1 GLN middle . . 18 A 0 GLY middle . false 19 A 1 MET middle . . 20 A 2 LYS middle . . 21 A 3 ARG middle . . 22 A 4 ALA middle . . 23 A 5 ALA middle . . 24 A 6 ALA middle . . 25 A 7 LYS middle . . 26 A 8 HIS middle . . 27 A 9 LEU middle . . 28 A 10 ILE middle . . 29 A 11 GLU middle . . 30 A 12 ARG middle . . 31 A 13 TYR middle . . 32 A 14 TYR middle . . 33 A 15 HIS middle . . 34 A 16 GLN middle . . 35 A 17 LEU middle . . 36 A 18 THR middle . . 37 A 19 GLU middle . . 38 A 20 GLY middle . false 39 A 21 CYS middle -HG . 40 A 22 GLY middle . false 41 A 23 ASN middle . . 42 A 24 GLU middle . . 43 A 25 ALA middle . . 44 A 26 CYS middle -HG . 45 A 27 THR middle . . 46 A 28 ASN middle . . 47 A 29 GLU middle . . 48 A 30 PHE middle . . 49 A 31 CYS middle -HG . 50 A 32 ALA middle . . 51 A 33 SER middle . . 52 A 34 CYS middle -HG . 53 A 35 PRO middle . false 54 A 36 THR middle . . 55 A 37 PHE middle . . 56 A 38 LEU middle . . 57 A 39 ARG middle . . 58 A 40 MET middle . . 59 A 41 ASP middle . . 60 A 42 ASN middle . . 61 A 43 ASN middle . . 62 A 44 ALA middle . . 63 A 45 ALA middle . . 64 A 46 ALA middle . . 65 A 47 ILE middle . . 66 A 48 LYS middle . . 67 A 49 ALA middle . . 68 A 50 LEU middle . . 69 A 51 GLU middle . . 70 A 52 LEU middle . . 71 A 53 TYR middle . . 72 A 54 LYS middle . . 73 A 55 ILE middle . . 74 A 56 ASN middle . . 75 A 57 ALA middle . . 76 A 58 LYS middle . . 77 A 59 LEU middle . . 78 A 60 CYS middle -HG . 79 A 61 ASP middle . . 80 A 62 PRO middle . false 81 A 63 HIS middle . . 82 A 64 PRO end . false 83 B 1 ZN . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 LYS HA H 1 4.205 0.04 A 2 LYS HBy H 1 1.785 0.04 A 2 LYS HBx H 1 1.676 0.04 A 2 LYS HDx H 1 1.522 0.04 A 2 LYS HDy H 1 1.522 0.04 A 2 LYS HEx H 1 3.072 0.04 A 2 LYS HEy H 1 3.072 0.04 A 2 LYS C C 13 176.538 0.4 A 2 LYS CA C 13 56.364 0.40 A 2 LYS CB C 13 30.708 0.40 A 2 LYS CD C 13 27.169 0.40 A 2 LYS CE C 13 43.300 0.40 A 3 ARG H H 1 8.541 0.04 A 3 ARG N N 15 120.785 0.40 A 4 ALA HA H 1 4.082 0.04 A 4 ALA HB% H 1 1.373 0.04 A 4 ALA CA C 13 54.047 0.40 A 4 ALA CB C 13 18.824 0.40 A 5 ALA HA H 1 4.177 0.04 A 5 ALA HB% H 1 1.412 0.04 A 5 ALA C C 13 178.940 0.4 A 5 ALA CA C 13 53.798 0.40 A 5 ALA CB C 13 18.753 0.40 A 6 ALA H H 1 7.783 0.04 A 6 ALA HA H 1 4.007 0.04 A 6 ALA HB% H 1 1.279 0.04 A 6 ALA C C 13 178.203 0.4 A 6 ALA CA C 13 54.590 0.40 A 6 ALA CB C 13 18.494 0.40 A 6 ALA N N 15 121.484 0.40 A 7 LYS H H 1 7.921 0.04 A 7 LYS HA H 1 3.723 0.04 A 7 LYS HBx H 1 1.686 0.04 A 7 LYS HBy H 1 1.686 0.04 A 7 LYS HDx H 1 1.526 0.04 A 7 LYS HDy H 1 1.526 0.04 A 7 LYS HEx H 1 2.836 0.04 A 7 LYS HEy H 1 2.836 0.04 A 7 LYS HGy H 1 1.300 0.04 A 7 LYS HGx H 1 1.208 0.04 A 7 LYS C C 13 178.121 0.4 A 7 LYS CA C 13 59.475 0.40 A 7 LYS CB C 13 32.382 0.40 A 7 LYS CD C 13 29.380 0.40 A 7 LYS CE C 13 42.044 0.40 A 7 LYS CG C 13 24.713 0.40 A 7 LYS N N 15 117.083 0.40 A 8 HIS H H 1 7.810 0.04 A 8 HIS HA H 1 4.327 0.04 A 8 HIS HBx H 1 3.102 0.04 A 8 HIS HBy H 1 3.102 0.04 A 8 HIS C C 13 175.774 0.4 A 8 HIS CA C 13 58.657 0.40 A 8 HIS CB C 13 30.271 0.40 A 8 HIS N N 15 117.117 0.40 A 9 LEU H H 1 7.710 0.04 A 9 LEU HA H 1 3.921 0.04 A 9 LEU HBy H 1 1.923 0.04 A 9 LEU HBx H 1 1.650 0.04 A 9 LEU HD1% H 1 1.038 0.04 A 9 LEU HD2% H 1 0.923 0.04 A 9 LEU C C 13 178.585 0.4 A 9 LEU CA C 13 58.002 0.40 A 9 LEU CB C 13 42.288 0.40 A 9 LEU CD1 C 13 25.348 0.40 A 9 LEU CD2 C 13 23.696 0.40 A 9 LEU N N 15 120.717 0.40 A 10 ILE H H 1 8.559 0.04 A 10 ILE HA H 1 3.656 0.04 A 10 ILE HB H 1 1.602 0.04 A 10 ILE HD1% H 1 0.410 0.04 A 10 ILE HG1y H 1 1.230 0.04 A 10 ILE HG1x H 1 0.576 0.04 A 10 ILE HG2% H 1 0.696 0.04 A 10 ILE C C 13 178.148 0.4 A 10 ILE CA C 13 66.845 0.40 A 10 ILE CB C 13 37.913 0.40 A 10 ILE CD1 C 13 14.171 0.40 A 10 ILE CG1 C 13 30.718 0.40 A 10 ILE CG2 C 13 17.855 0.40 A 10 ILE N N 15 120.086 0.40 A 11 GLU H H 1 7.849 0.04 A 11 GLU HA H 1 4.013 0.04 A 11 GLU HBy H 1 2.174 0.04 A 11 GLU HBx H 1 2.038 0.04 A 11 GLU HGx H 1 2.391 0.04 A 11 GLU HGy H 1 2.391 0.04 A 11 GLU C C 13 179.376 0.4 A 11 GLU CA C 13 59.584 0.40 A 11 GLU CB C 13 29.070 0.40 A 11 GLU CG C 13 36.968 0.40 A 11 GLU N N 15 118.346 0.40 A 12 ARG H H 1 7.839 0.04 A 12 ARG HA H 1 4.064 0.04 A 12 ARG HBy H 1 1.909 0.04 A 12 ARG HBx H 1 1.734 0.04 A 12 ARG HDy H 1 3.073 0.04 A 12 ARG HDx H 1 2.871 0.04 A 12 ARG HGy H 1 1.654 0.04 A 12 ARG HGx H 1 1.424 0.04 A 12 ARG C C 13 180.318 0.4 A 12 ARG CA C 13 59.585 0.40 A 12 ARG CB C 13 29.234 0.40 A 12 ARG CD C 13 43.300 0.40 A 12 ARG CG C 13 26.814 0.40 A 12 ARG N N 15 120.904 0.40 A 13 TYR H H 1 8.545 0.04 A 13 TYR HA H 1 4.064 0.04 A 13 TYR HBy H 1 3.225 0.04 A 13 TYR HBx H 1 2.904 0.04 A 13 TYR HDx H 1 7.025 0.04 A 13 TYR HDy H 1 7.025 0.04 A 13 TYR HEx H 1 6.496 0.04 A 13 TYR HEy H 1 6.496 0.04 A 13 TYR C C 13 177.725 0.4 A 13 TYR CA C 13 63.351 0.40 A 13 TYR CB C 13 38.623 0.40 A 13 TYR CD1 C 13 131.400 0.40 A 13 TYR CE1 C 13 116.910 0.40 A 13 TYR N N 15 120.393 0.40 A 14 TYR H H 1 8.783 0.04 A 14 TYR HA H 1 3.948 0.04 A 14 TYR HBy H 1 3.170 0.04 A 14 TYR HBx H 1 2.925 0.04 A 14 TYR HDx H 1 6.804 0.04 A 14 TYR HDy H 1 6.804 0.04 A 14 TYR HEx H 1 6.922 0.04 A 14 TYR HEy H 1 6.922 0.04 A 14 TYR C C 13 178.599 0.4 A 14 TYR CA C 13 62.669 0.40 A 14 TYR CB C 13 38.350 0.40 A 14 TYR CD1 C 13 132.360 0.40 A 14 TYR CE1 C 13 118.830 0.40 A 14 TYR N N 15 120.342 0.40 A 15 HIS H H 1 8.740 0.04 A 15 HIS HA H 1 3.906 0.04 A 15 HIS HBx H 1 3.239 0.04 A 15 HIS HBy H 1 3.239 0.04 A 15 HIS C C 13 177.834 0.4 A 15 HIS CA C 13 60.622 0.40 A 15 HIS CB C 13 30.599 0.40 A 15 HIS N N 15 121.297 0.40 A 16 GLN H H 1 8.371 0.04 A 16 GLN HA H 1 3.709 0.04 A 16 GLN HBx H 1 2.236 0.04 A 16 GLN HBy H 1 2.468 0.04 A 16 GLN HE21 H 1 7.283 0.04 A 16 GLN HE2y H 1 7.283 0.04 A 16 GLN HE2x H 1 7.161 0.04 A 16 GLN HGy H 1 2.870 0.04 A 16 GLN HGx H 1 2.659 0.04 A 16 GLN C C 13 176.238 0.4 A 16 GLN CA C 13 60.185 0.40 A 16 GLN CB C 13 30.653 0.40 A 16 GLN CG C 13 35.262 0.40 A 16 GLN N N 15 122.576 0.40 A 16 GLN NE2 N 15 108.128 0.04 A 17 LEU H H 1 7.916 0.04 A 17 LEU HA H 1 3.978 0.04 A 17 LEU HBy H 1 1.911 0.04 A 17 LEU HBx H 1 1.630 0.04 A 17 LEU HD1% H 1 0.917 0.04 A 17 LEU HD2% H 1 1.162 0.04 A 17 LEU HG H 1 2.021 0.04 A 17 LEU C C 13 175.624 0.4 A 17 LEU CA C 13 56.377 0.40 A 17 LEU CB C 13 45.098 0.40 A 17 LEU CD1 C 13 27.367 0.40 A 17 LEU CD2 C 13 23.874 0.40 A 17 LEU CG C 13 27.087 0.40 A 17 LEU N N 15 116.299 0.40 A 18 THR H H 1 7.148 0.04 A 18 THR HA H 1 4.215 0.04 A 18 THR HB H 1 3.848 0.04 A 18 THR HG2% H 1 0.581 0.04 A 18 THR C C 13 174.709 0.4 A 18 THR CA C 13 61.522 0.40 A 18 THR CB C 13 70.434 0.40 A 18 THR CG2 C 13 21.445 0.40 A 18 THR N N 15 105.023 0.40 A 19 GLU H H 1 8.234 0.04 A 19 GLU HA H 1 4.187 0.04 A 19 GLU HBy H 1 1.707 0.04 A 19 GLU HBx H 1 1.185 0.04 A 19 GLU HGx H 1 2.048 0.04 A 19 GLU HGy H 1 2.048 0.04 A 19 GLU C C 13 177.657 0.4 A 19 GLU CA C 13 56.855 0.40 A 19 GLU CB C 13 30.872 0.40 A 19 GLU CG C 13 36.176 0.40 A 19 GLU N N 15 122.559 0.40 A 20 GLY H H 1 7.485 0.04 A 20 GLY HAy H 1 4.586 0.04 A 20 GLY HAx H 1 4.358 0.04 A 20 GLY C C 13 172.976 0.4 A 20 GLY CA C 13 44.177 0.40 A 20 GLY N N 15 107.019 0.40 A 21 CYS H H 1 7.410 0.04 A 21 CYS HA H 1 4.498 0.04 A 21 CYS HBy H 1 3.160 0.04 A 21 CYS HBx H 1 2.853 0.04 A 21 CYS C C 13 176.865 0.4 A 21 CYS CA C 13 58.493 0.40 A 21 CYS CB C 13 31.636 0.40 A 21 CYS N N 15 118.260 0.40 A 22 GLY H H 1 8.670 0.04 A 22 GLY HAy H 1 4.260 0.04 A 22 GLY HAx H 1 3.505 0.04 A 22 GLY C C 13 173.618 0.4 A 22 GLY CA C 13 45.188 0.40 A 22 GLY N N 15 112.324 0.40 A 23 ASN H H 1 8.379 0.04 A 23 ASN HA H 1 4.452 0.04 A 23 ASN HBy H 1 2.990 0.04 A 23 ASN HBx H 1 2.543 0.04 A 23 ASN HD21 H 1 7.870 0.04 A 23 ASN HD2y H 1 7.870 0.04 A 23 ASN HD2x H 1 6.820 0.04 A 23 ASN C C 13 175.132 0.4 A 23 ASN CA C 13 52.106 0.40 A 23 ASN CB C 13 38.678 0.40 A 23 ASN N N 15 122.184 0.40 A 23 ASN ND2 N 15 112.222 0.04 A 24 GLU H H 1 8.769 0.04 A 24 GLU HA H 1 4.167 0.04 A 24 GLU HBy H 1 2.051 0.04 A 24 GLU HBx H 1 1.952 0.04 A 24 GLU HGx H 1 2.242 0.04 A 24 GLU HGy H 1 2.242 0.04 A 24 GLU C C 13 175.801 0.4 A 24 GLU CA C 13 57.947 0.40 A 24 GLU CB C 13 29.016 0.40 A 24 GLU CG C 13 36.258 0.40 A 24 GLU N N 15 124.589 0.40 A 25 ALA H H 1 7.839 0.04 A 25 ALA HA H 1 4.381 0.04 A 25 ALA HB% H 1 1.248 0.04 A 25 ALA C C 13 175.842 0.4 A 25 ALA CA C 13 50.319 0.40 A 25 ALA CB C 13 18.563 0.40 A 25 ALA N N 15 121.706 0.40 A 26 CYS H H 1 7.350 0.04 A 26 CYS HA H 1 3.757 0.04 A 26 CYS HBy H 1 3.010 0.04 A 26 CYS HBx H 1 2.236 0.04 A 26 CYS C C 13 176.019 0.4 A 26 CYS CA C 13 62.696 0.40 A 26 CYS CB C 13 29.671 0.40 A 26 CYS N N 15 124.265 0.40 A 27 THR H H 1 7.872 0.04 A 27 THR HA H 1 4.511 0.04 A 27 THR HB H 1 4.524 0.04 A 27 THR HG2% H 1 1.189 0.04 A 27 THR C C 13 174.969 0.4 A 27 THR CA C 13 61.113 0.40 A 27 THR CB C 13 69.834 0.40 A 27 THR CG2 C 13 21.567 0.40 A 27 THR N N 15 115.292 0.40 A 28 ASN H H 1 9.336 0.04 A 28 ASN HA H 1 4.430 0.04 A 28 ASN HBy H 1 3.269 0.04 A 28 ASN HBx H 1 2.601 0.04 A 28 ASN HD21 H 1 8.409 0.04 A 28 ASN HD2y H 1 8.409 0.04 A 28 ASN HD2x H 1 6.484 0.04 A 28 ASN C C 13 174.273 0.4 A 28 ASN CA C 13 53.144 0.40 A 28 ASN CB C 13 38.500 0.40 A 28 ASN N N 15 127.779 0.40 A 28 ASN ND2 N 15 114.337 0.04 A 29 GLU H H 1 8.499 0.04 A 29 GLU HA H 1 4.006 0.04 A 29 GLU HBy H 1 1.744 0.04 A 29 GLU HBx H 1 1.639 0.04 A 29 GLU HGy H 1 1.519 0.04 A 29 GLU HGx H 1 1.233 0.04 A 29 GLU C C 13 175.815 0.4 A 29 GLU CA C 13 58.111 0.40 A 29 GLU CB C 13 29.070 0.40 A 29 GLU CG C 13 35.262 0.40 A 29 GLU N N 15 123.804 0.40 A 30 PHE H H 1 7.423 0.04 A 30 PHE HA H 1 4.860 0.04 A 30 PHE HBy H 1 3.614 0.04 A 30 PHE HBx H 1 2.621 0.04 A 30 PHE HDx H 1 7.260 0.04 A 30 PHE HDy H 1 7.260 0.04 A 30 PHE HEx H 1 7.164 0.04 A 30 PHE HEy H 1 7.164 0.04 A 30 PHE C C 13 171.980 0.4 A 30 PHE CA C 13 56.336 0.40 A 30 PHE CB C 13 38.132 0.40 A 30 PHE CD1 C 13 131.699 0.40 A 30 PHE CE1 C 13 129.920 0.40 A 30 PHE N N 15 117.186 0.40 A 31 CYS H H 1 7.420 0.04 A 31 CYS HA H 1 4.264 0.04 A 31 CYS HBy H 1 3.297 0.04 A 31 CYS HBx H 1 2.386 0.04 A 31 CYS C C 13 174.436 0.4 A 31 CYS CA C 13 57.047 0.40 A 31 CYS CB C 13 33.492 0.40 A 31 CYS N N 15 121.843 0.40 A 32 ALA H H 1 7.949 0.04 A 32 ALA HA H 1 2.992 0.04 A 32 ALA HB% H 1 0.617 0.04 A 32 ALA C C 13 178.762 0.4 A 32 ALA CA C 13 53.007 0.40 A 32 ALA CB C 13 17.007 0.40 A 32 ALA N N 15 128.103 0.40 A 33 SER H H 1 9.507 0.04 A 33 SER HA H 1 4.299 0.04 A 33 SER HBx H 1 3.998 0.04 A 33 SER HBy H 1 3.998 0.04 A 33 SER C C 13 173.399 0.4 A 33 SER CA C 13 60.840 0.40 A 33 SER CB C 13 63.679 0.40 A 33 SER N N 15 119.062 0.40 A 34 CYS H H 1 7.978 0.04 A 34 CYS HA H 1 4.652 0.04 A 34 CYS HBx H 1 2.962 0.04 A 34 CYS HBy H 1 2.962 0.04 A 34 CYS CA C 13 55.835 0.40 A 34 CYS CB C 13 27.879 0.40 A 34 CYS N N 15 124.589 0.40 A 35 PRO HA H 1 4.393 0.04 A 35 PRO HBy H 1 2.437 0.04 A 35 PRO HBx H 1 1.959 0.04 A 35 PRO HDx H 1 4.043 0.04 A 35 PRO HDy H 1 4.043 0.04 A 35 PRO HGy H 1 2.089 0.04 A 35 PRO HGx H 1 2.008 0.04 A 35 PRO C C 13 177.889 0.4 A 35 PRO CA C 13 65.180 0.40 A 35 PRO CB C 13 32.850 0.40 A 35 PRO CD C 13 51.972 0.40 A 35 PRO CG C 13 27.647 0.40 A 36 THR H H 1 7.507 0.04 A 36 THR HA H 1 4.314 0.04 A 36 THR HB H 1 4.454 0.04 A 36 THR HG2% H 1 1.060 0.04 A 36 THR C C 13 174.177 0.4 A 36 THR CA C 13 61.195 0.40 A 36 THR CB C 13 68.101 0.40 A 36 THR CG2 C 13 21.854 0.40 A 36 THR N N 15 107.002 0.40 A 37 PHE H H 1 7.716 0.04 A 37 PHE HA H 1 4.204 0.04 A 37 PHE HBy H 1 3.090 0.04 A 37 PHE HBx H 1 2.836 0.04 A 37 PHE HDx H 1 7.015 0.04 A 37 PHE HDy H 1 7.015 0.04 A 37 PHE HEx H 1 7.216 0.04 A 37 PHE HEy H 1 7.216 0.04 A 37 PHE C C 13 175.228 0.4 A 37 PHE CA C 13 58.875 0.40 A 37 PHE CB C 13 40.942 0.40 A 37 PHE CD1 C 13 132.526 0.40 A 37 PHE CE1 C 13 130.334 0.40 A 37 PHE N N 15 124.794 0.40 A 38 LEU H H 1 7.490 0.04 A 38 LEU HA H 1 4.310 0.04 A 38 LEU HBy H 1 1.310 0.04 A 38 LEU HBx H 1 1.247 0.04 A 38 LEU HD1% H 1 0.801 0.04 A 38 LEU HD2% H 1 0.734 0.04 A 38 LEU HG H 1 1.445 0.04 A 38 LEU C C 13 174.300 0.4 A 38 LEU CA C 13 53.416 0.40 A 38 LEU CB C 13 41.386 0.40 A 38 LEU CD1 C 13 24.747 0.40 A 38 LEU CD2 C 13 23.942 0.40 A 38 LEU CG C 13 26.678 0.40 A 38 LEU N N 15 130.713 0.40 A 39 ARG H H 1 7.930 0.04 A 39 ARG HA H 1 3.994 0.04 A 39 ARG HBx H 1 1.753 0.04 A 39 ARG HBy H 1 1.753 0.04 A 39 ARG HDx H 1 3.223 0.04 A 39 ARG HDy H 1 3.223 0.04 A 39 ARG HGx H 1 1.801 0.04 A 39 ARG HGy H 1 1.801 0.04 A 39 ARG CA C 13 57.374 0.40 A 39 ARG CB C 13 30.517 0.40 A 39 ARG CD C 13 43.273 0.40 A 39 ARG CG C 13 27.333 0.40 A 39 ARG N N 15 122.866 0.40 A 40 MET H H 1 8.408 0.04 A 40 MET HA H 1 4.706 0.04 A 40 MET HBy H 1 2.075 0.04 A 40 MET HBx H 1 1.956 0.04 A 40 MET HGy H 1 2.611 0.04 A 40 MET HGx H 1 2.491 0.04 A 40 MET C C 13 175.160 0.4 A 40 MET CA C 13 53.908 0.40 A 40 MET CB C 13 36.603 0.40 A 40 MET CG C 13 31.509 0.40 A 40 MET N N 15 121.024 0.40 A 41 ASP H H 1 8.419 0.04 A 41 ASP HA H 1 4.588 0.04 A 41 ASP HBy H 1 3.030 0.04 A 41 ASP HBx H 1 2.680 0.04 A 41 ASP CA C 13 53.699 0.40 A 41 ASP CB C 13 41.540 0.40 A 41 ASP N N 15 120.478 0.40 A 42 ASN HA H 1 4.317 0.04 A 42 ASN HBy H 1 3.106 0.04 A 42 ASN HBx H 1 2.822 0.04 A 42 ASN HD21 H 1 7.490 0.04 A 42 ASN HD2y H 1 7.490 0.04 A 42 ASN HD2x H 1 6.834 0.04 A 42 ASN C C 13 177.739 0.4 A 42 ASN CA C 13 56.637 0.40 A 42 ASN CB C 13 37.586 0.40 A 42 ASN ND2 N 15 110.172 0.04 A 43 ASN H H 1 8.442 0.04 A 43 ASN HA H 1 4.450 0.04 A 43 ASN HBy H 1 2.853 0.04 A 43 ASN HBx H 1 2.778 0.04 A 43 ASN C C 13 177.439 0.4 A 43 ASN CA C 13 56.528 0.40 A 43 ASN CB C 13 38.023 0.40 A 43 ASN N N 15 118.960 0.40 A 44 ALA H H 1 8.229 0.04 A 44 ALA HA H 1 4.102 0.04 A 44 ALA HB% H 1 1.491 0.04 A 44 ALA C C 13 180.973 0.4 A 44 ALA CA C 13 54.672 0.40 A 44 ALA CB C 13 18.466 0.40 A 44 ALA N N 15 123.651 0.40 A 45 ALA H H 1 8.779 0.04 A 45 ALA HA H 1 4.238 0.04 A 45 ALA HB% H 1 1.334 0.04 A 45 ALA C C 13 178.680 0.4 A 45 ALA CA C 13 54.945 0.40 A 45 ALA CB C 13 18.685 0.40 A 45 ALA N N 15 121.928 0.40 A 46 ALA H H 1 8.024 0.04 A 46 ALA HA H 1 4.109 0.04 A 46 ALA HB% H 1 1.426 0.04 A 46 ALA C C 13 179.731 0.4 A 46 ALA CA C 13 55.873 0.40 A 46 ALA CB C 13 17.853 0.40 A 46 ALA N N 15 121.126 0.40 A 47 ILE H H 1 7.220 0.04 A 47 ILE HA H 1 3.740 0.04 A 47 ILE HB H 1 1.861 0.04 A 47 ILE HD1% H 1 0.795 0.04 A 47 ILE HG1y H 1 1.639 0.04 A 47 ILE HG1x H 1 1.151 0.04 A 47 ILE HG2% H 1 0.891 0.04 A 47 ILE C C 13 179.049 0.4 A 47 ILE CA C 13 64.061 0.40 A 47 ILE CB C 13 38.528 0.40 A 47 ILE CD1 C 13 12.833 0.40 A 47 ILE CG1 C 13 28.821 0.40 A 47 ILE CG2 C 13 17.419 0.40 A 47 ILE N N 15 117.953 0.40 A 48 LYS H H 1 8.363 0.04 A 48 LYS HA H 1 4.062 0.04 A 48 LYS HBy H 1 2.034 0.04 A 48 LYS HBx H 1 1.813 0.04 A 48 LYS HDy H 1 1.681 0.04 A 48 LYS HDx H 1 1.638 0.04 A 48 LYS HEy H 1 2.851 0.04 A 48 LYS HEx H 1 2.603 0.04 A 48 LYS HGx H 1 1.380 0.04 A 48 LYS HGy H 1 1.380 0.04 A 48 LYS C C 13 177.739 0.4 A 48 LYS CA C 13 57.074 0.40 A 48 LYS CB C 13 31.472 0.40 A 48 LYS CD C 13 28.152 0.40 A 48 LYS CE C 13 41.840 0.40 A 48 LYS CG C 13 24.713 0.40 A 48 LYS N N 15 121.894 0.40 A 49 ALA H H 1 8.730 0.04 A 49 ALA HA H 1 3.682 0.04 A 49 ALA HB% H 1 1.650 0.04 A 49 ALA C C 13 178.339 0.4 A 49 ALA CA C 13 56.037 0.40 A 49 ALA CB C 13 18.126 0.40 A 49 ALA N N 15 121.723 0.40 A 50 LEU H H 1 6.888 0.04 A 50 LEU HA H 1 4.020 0.04 A 50 LEU HBy H 1 1.785 0.04 A 50 LEU HBx H 1 1.740 0.04 A 50 LEU HD1% H 1 0.940 0.04 A 50 LEU HD2% H 1 0.869 0.04 A 50 LEU HG H 1 1.722 0.04 A 50 LEU C C 13 178.776 0.4 A 50 LEU CA C 13 57.892 0.40 A 50 LEU CB C 13 41.832 0.40 A 50 LEU CD1 C 13 24.692 0.40 A 50 LEU CD2 C 13 24.542 0.40 A 50 LEU CG C 13 27.360 0.40 A 50 LEU N N 15 115.156 0.40 A 51 GLU H H 1 7.216 0.04 A 51 GLU HA H 1 3.836 0.04 A 51 GLU HBx H 1 2.055 0.04 A 51 GLU HBy H 1 2.055 0.04 A 51 GLU HGy H 1 2.299 0.04 A 51 GLU HGx H 1 2.055 0.04 A 51 GLU C C 13 178.721 0.4 A 51 GLU CA C 13 59.257 0.40 A 51 GLU CB C 13 29.343 0.40 A 51 GLU CG C 13 35.959 0.40 A 51 GLU N N 15 119.727 0.40 A 52 LEU H H 1 8.326 0.04 A 52 LEU HA H 1 3.501 0.04 A 52 LEU HBy H 1 1.079 0.04 A 52 LEU HBx H 1 0.454 0.04 A 52 LEU HD1% H 1 0.745 0.04 A 52 LEU HD2% H 1 0.013 0.04 A 52 LEU HG H 1 1.619 0.04 A 52 LEU C C 13 178.421 0.4 A 52 LEU CA C 13 56.814 0.40 A 52 LEU CB C 13 39.497 0.40 A 52 LEU CD1 C 13 27.463 0.40 A 52 LEU CD2 C 13 20.817 0.40 A 52 LEU CG C 13 25.586 0.40 A 52 LEU N N 15 117.442 0.40 A 53 TYR H H 1 7.440 0.04 A 53 TYR HA H 1 4.010 0.04 A 53 TYR HBy H 1 3.111 0.04 A 53 TYR HBx H 1 2.960 0.04 A 53 TYR HDx H 1 7.027 0.04 A 53 TYR HDy H 1 7.027 0.04 A 53 TYR HEx H 1 6.816 0.04 A 53 TYR HEy H 1 6.816 0.04 A 53 TYR C C 13 177.602 0.4 A 53 TYR CA C 13 60.751 0.40 A 53 TYR CB C 13 38.221 0.40 A 53 TYR CD1 C 13 133.064 0.40 A 53 TYR CE1 C 13 118.047 0.40 A 53 TYR N N 15 118.670 0.40 A 54 LYS H H 1 7.720 0.04 A 54 LYS HA H 1 3.543 0.04 A 54 LYS HBx H 1 1.857 0.04 A 54 LYS HBy H 1 1.857 0.04 A 54 LYS HDx H 1 1.603 0.04 A 54 LYS HDy H 1 1.603 0.04 A 54 LYS HEx H 1 2.853 0.04 A 54 LYS HEy H 1 2.853 0.04 A 54 LYS HGx H 1 1.320 0.04 A 54 LYS HGy H 1 1.320 0.04 A 54 LYS C C 13 178.216 0.4 A 54 LYS CA C 13 59.475 0.40 A 54 LYS CB C 13 32.400 0.40 A 54 LYS CD C 13 29.244 0.40 A 54 LYS CE C 13 42.200 0.40 A 54 LYS CG C 13 25.177 0.40 A 54 LYS N N 15 120.512 0.40 A 55 ILE H H 1 7.265 0.04 A 55 ILE HA H 1 4.327 0.04 A 55 ILE HB H 1 2.083 0.04 A 55 ILE HD1% H 1 0.654 0.04 A 55 ILE HG2% H 1 0.784 0.04 A 55 ILE CA C 13 60.625 0.40 A 55 ILE CB C 13 38.244 0.40 A 55 ILE CD1 C 13 13.789 0.40 A 55 ILE CG2 C 13 17.173 0.40 A 55 ILE N N 15 109.032 0.40 A 56 ASN HA H 1 4.225 0.04 A 56 ASN HBy H 1 2.995 0.04 A 56 ASN HBx H 1 2.515 0.04 A 56 ASN HD21 H 1 7.385 0.04 A 56 ASN HD2y H 1 7.385 0.04 A 56 ASN HD2x H 1 6.643 0.04 A 56 ASN C C 13 174.532 0.4 A 56 ASN CA C 13 53.853 0.40 A 56 ASN CB C 13 37.027 0.40 A 56 ASN ND2 N 15 112.042 0.04 A 57 ALA H H 1 7.653 0.04 A 57 ALA HA H 1 4.126 0.04 A 57 ALA HB% H 1 1.065 0.04 A 57 ALA C C 13 177.848 0.4 A 57 ALA CA C 13 51.969 0.40 A 57 ALA CB C 13 20.500 0.40 A 57 ALA N N 15 119.216 0.40 A 58 LYS H H 1 8.612 0.04 A 58 LYS HA H 1 3.999 0.04 A 58 LYS HBx H 1 1.823 0.04 A 58 LYS HBy H 1 1.823 0.04 A 58 LYS HDx H 1 1.553 0.04 A 58 LYS HDy H 1 1.553 0.04 A 58 LYS HEx H 1 2.945 0.04 A 58 LYS HEy H 1 2.945 0.04 A 58 LYS HGy H 1 1.314 0.04 A 58 LYS HGx H 1 1.184 0.04 A 58 LYS C C 13 176.142 0.4 A 58 LYS CA C 13 58.220 0.40 A 58 LYS CB C 13 32.673 0.40 A 58 LYS CD C 13 29.353 0.40 A 58 LYS CE C 13 42.181 0.40 A 58 LYS CG C 13 25.136 0.40 A 58 LYS N N 15 122.696 0.40 A 59 LEU H H 1 8.427 0.04 A 59 LEU HA H 1 4.954 0.04 A 59 LEU HBy H 1 1.335 0.04 A 59 LEU HBx H 1 1.242 0.04 A 59 LEU HD1% H 1 0.369 0.04 A 59 LEU HD2% H 1 0.079 0.04 A 59 LEU HG H 1 1.223 0.04 A 59 LEU C C 13 177.712 0.4 A 59 LEU CA C 13 52.843 0.40 A 59 LEU CB C 13 43.611 0.40 A 59 LEU CD1 C 13 24.788 0.40 A 59 LEU CD2 C 13 24.447 0.40 A 59 LEU CG C 13 26.623 0.40 A 59 LEU N N 15 129.775 0.40 A 60 CYS H H 1 8.573 0.04 A 60 CYS HA H 1 3.938 0.04 A 60 CYS HBy H 1 2.983 0.04 A 60 CYS HBx H 1 2.714 0.04 A 60 CYS C C 13 176.265 0.4 A 60 CYS CA C 13 61.768 0.40 A 60 CYS CB C 13 31.103 0.40 A 60 CYS N N 15 126.244 0.40 A 61 ASP H H 1 8.570 0.04 A 61 ASP HA H 1 4.765 0.04 A 61 ASP HBy H 1 2.625 0.04 A 61 ASP HBx H 1 2.389 0.04 A 61 ASP CA C 13 52.464 0.40 A 61 ASP CB C 13 40.598 0.40 A 61 ASP N N 15 123.037 0.40 A 62 PRO HA H 1 4.351 0.04 A 62 PRO HBy H 1 2.184 0.04 A 62 PRO HBx H 1 1.785 0.04 A 62 PRO HDy H 1 3.712 0.04 A 62 PRO HDx H 1 3.594 0.04 A 62 PRO HGx H 1 1.868 0.04 A 62 PRO HGy H 1 1.868 0.04 A 62 PRO C C 13 175.296 0.4 A 62 PRO CA C 13 63.419 0.40 A 62 PRO CB C 13 31.963 0.40 A 62 PRO CD C 13 50.383 0.40 A 62 PRO CG C 13 27.306 0.40 A 63 HIS H H 1 8.283 0.04 A 63 HIS HA H 1 4.737 0.04 A 63 HIS CA C 13 54.272 0.40 A 63 HIS N N 15 122.934 0.40 A 64 PRO HA H 1 4.169 0.04 A 64 PRO HBy H 1 2.119 0.04 A 64 PRO HBx H 1 1.810 0.04 A 64 PRO HDy H 1 3.576 0.04 A 64 PRO HDx H 1 3.183 0.04 A 64 PRO HGx H 1 1.819 0.04 A 64 PRO HGy H 1 1.819 0.04 A 64 PRO CA C 13 64.944 0.40 A 64 PRO CB C 13 32.123 0.40 A 64 PRO CD C 13 50.397 0.40 A 64 PRO CG C 13 27.360 0.40 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 28 ASN H A 29 GLU H 1.0 1.8 5.0 2 2 A 28 ASN H A 28 ASN HD2y 1.0 1.8 6.0 3 3 A 28 ASN H A 27 THR H 1.0 1.8 3.5 4 4 A 28 ASN H A 30 PHE H 1.0 1.8 6.0 5 5 A 28 ASN H A 31 CYS H 1.0 1.8 6.0 6 6 A 28 ASN H A 26 CYS HA 1.0 1.8 5.0 7 7 A 28 ASN H A 28 ASN HBy 1.0 1.8 3.5 8 8 A 28 ASN H A 26 CYS HBy 1.0 1.8 6.0 9 9 A 28 ASN H A 28 ASN HBx 1.0 1.8 3.5 10 10 A 28 ASN H A 29 GLU HA 1.0 1.8 6.0 11 11 A 28 ASN H A 35 PRO HDx 1.0 1.8 6.0 12 11 A 28 ASN H A 35 PRO HDy 1.0 1.8 6.0 13 12 A 28 ASN H A 31 CYS HBy 1.0 1.8 5.0 14 13 A 28 ASN H A 26 CYS HBx 1.0 1.8 5.0 15 14 A 59 LEU H A 59 LEU HBy 1.0 1.8 3.5 16 15 A 59 LEU H A 59 LEU HBx 1.0 1.8 3.5 17 16 A 59 LEU H A 59 LEU HD2% 1.0 1.8 5.0 18 17 A 32 ALA H A 33 SER H 1.0 1.8 5.0 19 18 A 32 ALA H A 21 CYS H 1.0 1.8 5.0 20 19 A 32 ALA H A 37 PHE HE% 1.0 1.8 6.0 21 20 A 32 ALA H A 20 GLY HAy 1.0 1.8 5.0 22 21 A 32 ALA H A 17 LEU HA 1.0 1.8 5.0 23 22 A 32 ALA H A 16 GLN HA 1.0 1.8 5.0 24 23 A 32 ALA H A 16 GLN HGy 1.0 1.8 5.0 25 24 A 32 ALA H A 16 GLN HGx 1.0 1.8 5.0 26 25 A 38 LEU H A 38 LEU HD2% 1.0 1.8 5.0 27 26 A 38 LEU H A 38 LEU HD1% 1.0 1.8 5.0 28 27 A 38 LEU H A 38 LEU HBy 1.0 1.8 5.0 29 28 A 38 LEU H A 37 PHE HD% 1.0 1.8 5.0 30 29 A 38 LEU H A 37 PHE H 1.0 1.8 5.0 31 30 A 26 CYS H A 34 CYS HA 1.0 1.8 5.0 32 31 A 26 CYS H A 35 PRO HDx 1.0 1.8 5.0 33 31 A 35 PRO HDy A 26 CYS H 1.0 1.8 5.0 34 32 A 26 CYS HBy A 26 CYS H 1.0 1.8 3.5 35 33 A 26 CYS HBx A 26 CYS H 1.0 1.8 3.5 36 34 A 37 PHE H A 36 THR HG2% 1.0 1.8 5.0 37 35 A 37 PHE H A 37 PHE HBy 1.0 1.8 3.5 38 36 A 37 PHE H A 37 PHE HBx 1.0 1.8 3.5 39 37 A 37 PHE H A 34 CYS HBx 1.0 1.8 5.0 40 37 A 37 PHE H A 34 CYS HBy 1.0 1.8 5.0 41 38 A 29 GLU HA A 37 PHE H 1.0 1.8 5.0 42 39 A 37 PHE H A 35 PRO HDx 1.0 1.8 6.0 43 39 A 35 PRO HDy A 37 PHE H 1.0 1.8 6.0 44 40 A 37 PHE HD% A 37 PHE H 1.0 1.8 5.0 45 41 A 37 PHE H A 36 THR H 1.0 1.8 3.5 46 42 A 31 CYS HBx A 34 CYS H 1.0 1.8 5.0 47 43 A 34 CYS H A 34 CYS HBx 1.0 1.8 3.5 48 43 A 34 CYS HBy A 34 CYS H 1.0 1.8 3.5 49 44 A 26 CYS HBx A 34 CYS H 1.0 1.8 6.0 50 45 A 31 CYS HBy A 34 CYS H 1.0 1.8 6.0 51 46 A 31 CYS H A 34 CYS H 1.0 1.8 6.0 52 47 A 37 PHE HD% A 34 CYS H 1.0 1.8 5.0 53 48 A 37 PHE H A 34 CYS H 1.0 1.8 5.0 54 49 A 39 ARG H A 39 ARG HBx 1.0 1.8 3.5 55 49 A 39 ARG H A 39 ARG HBy 1.0 1.8 3.5 56 50 A 39 ARG H A 39 ARG HGx 1.0 1.8 3.5 57 50 A 39 ARG H A 39 ARG HGy 1.0 1.8 3.5 58 51 A 39 ARG H A 38 LEU HG 1.0 1.8 5.0 59 52 A 39 ARG H A 38 LEU HD1% 1.0 1.8 5.0 60 53 A 38 LEU H A 39 ARG H 1.0 1.8 5.0 61 54 A 37 PHE HD% A 39 ARG H 1.0 1.8 6.0 62 55 A 15 HIS HA A 19 GLU H 1.0 1.8 5.0 63 56 A 19 GLU H A 19 GLU HGx 1.0 1.8 5.0 64 56 A 19 GLU H A 19 GLU HGy 1.0 1.8 5.0 65 57 A 19 GLU H A 19 GLU HBy 1.0 1.8 5.0 66 58 A 19 GLU H A 19 GLU HBx 1.0 1.8 5.0 67 59 A 44 ALA H A 46 ALA H 1.0 1.8 5.0 68 60 A 44 ALA H A 44 ALA HB% 1.0 1.8 3.5 69 61 A 44 ALA H A 45 ALA HB% 1.0 1.8 5.0 70 62 A 44 ALA H A 40 MET HBy 1.0 1.8 5.0 71 63 A 39 ARG H A 40 MET H 1.0 1.8 5.0 72 64 A 37 PHE HE% A 40 MET H 1.0 1.8 5.0 73 65 A 40 MET H A 40 MET HGx 1.0 1.8 5.0 74 66 A 40 MET H A 40 MET HGy 1.0 1.8 5.0 75 67 A 41 ASP H A 41 ASP HBx 1.0 1.8 5.0 76 68 A 41 ASP H A 41 ASP HBy 1.0 1.8 5.0 77 69 A 10 ILE H A 11 GLU H 1.0 1.8 5.0 78 70 A 13 TYR H A 13 TYR HD% 1.0 1.8 5.0 79 71 A 13 TYR H A 14 TYR H 1.0 1.8 5.0 80 72 A 13 TYR H A 13 TYR HE% 1.0 1.8 6.0 81 73 A 13 TYR H A 13 TYR HBx 1.0 1.8 5.0 82 74 A 13 TYR H A 13 TYR HBy 1.0 1.8 5.0 83 75 A 10 ILE H A 10 ILE HG1y 1.0 1.8 5.0 84 76 A 13 TYR H A 59 LEU HD2% 1.0 1.8 5.0 85 77 A 13 TYR HD% A 14 TYR H 1.0 1.8 5.0 86 78 A 14 TYR H A 14 TYR HD% 1.0 1.8 5.0 87 79 A 11 GLU H A 14 TYR H 1.0 1.8 6.0 88 80 A 14 TYR H A 12 ARG H 1.0 1.8 6.0 89 81 A 14 TYR H A 10 ILE HA 1.0 1.8 5.0 90 82 A 14 TYR H A 49 ALA HA 1.0 1.8 6.0 91 83 A 14 TYR H A 14 TYR HBx 1.0 1.8 3.5 92 84 A 14 TYR H A 49 ALA HB% 1.0 1.8 5.0 93 85 A 14 TYR H A 10 ILE HG2% 1.0 1.8 5.0 94 86 A 15 HIS H A 15 HIS HBx 1.0 1.8 3.5 95 86 A 15 HIS H A 15 HIS HBy 1.0 1.8 3.5 96 87 A 14 TYR HD% A 15 HIS H 1.0 1.8 5.0 97 88 A 15 HIS H A 16 GLN H 1.0 1.8 3.5 98 89 A 49 ALA HB% A 49 ALA H 1.0 1.8 3.5 99 90 A 45 ALA HB% A 49 ALA H 1.0 1.8 6.0 100 91 A 49 ALA H A 45 ALA HA 1.0 1.8 5.0 101 92 A 49 ALA H A 50 LEU H 1.0 1.8 3.5 102 93 A 49 ALA H A 47 ILE H 1.0 1.8 5.0 103 94 A 49 ALA H A 51 GLU H 1.0 1.8 6.0 104 95 A 44 ALA H A 45 ALA H 1.0 1.8 3.5 105 96 A 45 ALA H A 42 ASN HA 1.0 1.8 5.0 106 97 A 45 ALA HB% A 45 ALA H 1.0 1.8 3.5 107 98 A 40 MET HBy A 45 ALA H 1.0 1.8 5.0 108 99 A 45 ALA H A 18 THR HG2% 1.0 1.8 6.0 109 100 A 58 LYS H A 58 LYS HBx 1.0 1.8 5.0 110 100 A 58 LYS H A 58 LYS HBy 1.0 1.8 5.0 111 101 A 59 LEU HA A 61 ASP H 1.0 1.8 6.0 112 102 A 61 ASP H A 61 ASP HBx 1.0 1.8 5.0 113 103 A 61 ASP H A 61 ASP HBy 1.0 1.8 5.0 114 104 A 61 ASP H A 60 CYS HBy 1.0 1.8 5.0 115 105 A 29 GLU H A 29 GLU HGx 1.0 1.8 5.0 116 106 A 29 GLU H A 29 GLU HGy 1.0 1.8 5.0 117 107 A 29 GLU H A 29 GLU HBx 1.0 1.8 5.0 118 108 A 29 GLU H A 29 GLU HBy 1.0 1.8 5.0 119 109 A 29 GLU H A 34 CYS HBx 1.0 1.8 6.0 120 109 A 29 GLU H A 34 CYS HBy 1.0 1.8 6.0 121 110 A 28 ASN HD2x A 60 CYS H 1.0 1.8 5.0 122 111 A 60 CYS H A 16 GLN HE2y 1.0 1.8 5.0 123 112 A 60 CYS H A 16 GLN HE2x 1.0 1.8 5.0 124 113 A 28 ASN HD2y A 60 CYS H 1.0 1.8 5.0 125 114 A 59 LEU H A 60 CYS H 1.0 1.8 5.0 126 115 A 60 CYS H A 60 CYS HBy 1.0 1.8 5.0 127 116 A 60 CYS H A 60 CYS HBx 1.0 1.8 5.0 128 117 A 23 ASN H A 24 GLU H 1.0 1.8 5.0 129 118 A 24 GLU H A 24 GLU HBy 1.0 1.8 5.0 130 119 A 24 GLU H A 24 GLU HBx 1.0 1.8 5.0 131 120 A 33 SER H A 34 CYS H 1.0 1.8 3.5 132 121 A 33 SER H A 33 SER HBx 1.0 1.8 5.0 133 121 A 33 SER H A 33 SER HBy 1.0 1.8 5.0 134 122 A 52 LEU H A 52 LEU HG 1.0 1.8 3.5 135 123 A 52 LEU H A 48 LYS HGx 1.0 1.8 5.0 136 123 A 52 LEU H A 48 LYS HGy 1.0 1.8 5.0 137 124 A 52 LEU H A 52 LEU HBy 1.0 1.8 5.0 138 125 A 52 LEU H A 51 GLU HGx 1.0 1.8 5.0 139 126 A 49 ALA HA A 52 LEU H 1.0 1.8 5.0 140 127 A 46 ALA H A 47 ILE H 1.0 1.8 3.5 141 128 A 46 ALA H A 14 TYR HD% 1.0 1.8 5.0 142 129 A 46 ALA H A 45 ALA H 1.0 1.8 3.5 143 130 A 46 ALA H A 43 ASN HA 1.0 1.8 5.0 144 131 A 46 ALA H A 46 ALA HB% 1.0 1.8 3.5 145 132 A 46 ALA H A 49 ALA HB% 1.0 1.8 5.0 146 133 A 46 ALA H A 47 ILE HB 1.0 1.8 5.0 147 134 A 13 TYR H A 12 ARG H 1.0 1.8 5.0 148 135 A 12 ARG H A 9 LEU HA 1.0 1.8 5.0 149 136 A 25 ALA H A 24 GLU HGx 1.0 1.8 5.0 150 136 A 24 GLU HGy A 25 ALA H 1.0 1.8 5.0 151 137 A 25 ALA H A 23 ASN HBy 1.0 1.8 6.0 152 138 A 26 CYS HBy A 25 ALA H 1.0 1.8 6.0 153 139 A 26 CYS H A 25 ALA H 1.0 1.8 5.0 154 140 A 24 GLU H A 25 ALA H 1.0 1.8 5.0 155 141 A 25 ALA H A 25 ALA HB% 1.0 1.8 3.5 156 142 A 9 LEU H A 9 LEU HBy 1.0 1.8 5.0 157 143 A 54 LYS H A 54 LYS HBx 1.0 1.8 3.5 158 143 A 54 LYS H A 54 LYS HBy 1.0 1.8 3.5 159 144 A 54 LYS H A 54 LYS HGx 1.0 1.8 5.0 160 144 A 54 LYS H A 54 LYS HGy 1.0 1.8 5.0 161 145 A 54 LYS H A 51 GLU HA 1.0 1.8 5.0 162 146 A 9 LEU H A 8 HIS HBx 1.0 1.8 5.0 163 146 A 9 LEU H A 8 HIS HBy 1.0 1.8 5.0 164 147 A 54 LYS H A 53 TYR HD% 1.0 1.8 5.0 165 148 A 54 LYS H A 53 TYR HBx 1.0 1.8 5.0 166 149 A 54 LYS H A 55 ILE HG2% 1.0 1.8 5.0 167 150 A 9 LEU H A 7 LYS HBx 1.0 1.8 6.0 168 150 A 9 LEU H A 7 LYS HBy 1.0 1.8 6.0 169 151 A 54 LYS H A 50 LEU HBx 1.0 1.8 6.0 170 152 A 55 ILE HB A 57 ALA H 1.0 1.8 5.0 171 153 A 57 ALA H A 57 ALA HB% 1.0 1.8 3.5 172 154 A 57 ALA H A 52 LEU HD1% 1.0 1.8 6.0 173 155 A 55 ILE HG2% A 57 ALA H 1.0 1.8 6.0 174 156 A 57 ALA H A 52 LEU HD2% 1.0 1.8 5.0 175 157 A 57 ALA H A 52 LEU HBx 1.0 1.8 5.0 176 158 A 57 ALA H A 52 LEU HA 1.0 1.8 5.0 177 159 A 13 TYR HE% A 57 ALA H 1.0 1.8 5.0 178 160 A 57 ALA H A 55 ILE H 1.0 1.8 5.0 179 161 A 58 LYS H A 57 ALA H 1.0 1.8 5.0 180 162 A 31 CYS H A 37 PHE HD% 1.0 1.8 5.0 181 163 A 31 CYS H A 32 ALA H 1.0 1.8 5.0 182 164 A 31 CYS H A 29 GLU HA 1.0 1.8 5.0 183 165 A 31 CYS H A 31 CYS HBx 1.0 1.8 5.0 184 166 A 31 CYS H A 34 CYS HBx 1.0 1.8 5.0 185 166 A 31 CYS H A 34 CYS HBy 1.0 1.8 5.0 186 167 A 31 CYS H A 31 CYS HBy 1.0 1.8 5.0 187 168 A 31 CYS H A 37 PHE HBy 1.0 1.8 5.0 188 169 A 51 GLU H A 51 GLU HBx 1.0 1.8 3.5 189 169 A 51 GLU H A 51 GLU HBy 1.0 1.8 3.5 190 170 A 51 GLU H A 51 GLU HGx 1.0 1.8 5.0 191 171 A 49 ALA HB% A 51 GLU H 1.0 1.8 5.0 192 172 A 51 GLU H A 47 ILE HG2% 1.0 1.8 5.0 193 173 A 51 GLU H A 52 LEU H 1.0 1.8 5.0 194 174 A 51 GLU H A 53 TYR H 1.0 1.8 5.0 195 175 A 54 LYS H A 53 TYR H 1.0 1.8 5.0 196 176 A 52 LEU H A 53 TYR H 1.0 1.8 5.0 197 177 A 13 TYR HD% A 53 TYR H 1.0 1.8 5.0 198 178 A 13 TYR HE% A 53 TYR H 1.0 1.8 5.0 199 179 A 53 TYR H A 53 TYR HBy 1.0 1.8 3.5 200 180 A 53 TYR H A 53 TYR HBx 1.0 1.8 3.5 201 181 A 49 ALA HA A 53 TYR H 1.0 1.8 5.0 202 182 A 52 LEU HG A 53 TYR H 1.0 1.8 5.0 203 183 A 53 TYR H A 51 GLU HBx 1.0 1.8 5.0 204 183 A 51 GLU HBy A 53 TYR H 1.0 1.8 5.0 205 184 A 52 LEU HD2% A 53 TYR H 1.0 1.8 5.0 206 185 A 21 CYS H A 22 GLY H 1.0 1.8 3.5 207 186 A 21 CYS H A 23 ASN H 1.0 1.8 5.0 208 187 A 21 CYS H A 21 CYS HBx 1.0 1.8 5.0 209 188 A 21 CYS H A 21 CYS HBy 1.0 1.8 5.0 210 189 A 21 CYS H A 16 GLN HA 1.0 1.8 6.0 211 190 A 53 TYR H A 50 LEU HD1% 1.0 1.8 6.0 212 191 A 53 TYR H A 54 LYS HBx 1.0 1.8 5.0 213 191 A 54 LYS HBy A 53 TYR H 1.0 1.8 5.0 214 192 A 30 PHE H A 28 ASN HBy 1.0 1.8 5.0 215 193 A 30 PHE H A 30 PHE HBy 1.0 1.8 3.5 216 194 A 30 PHE H A 29 GLU HGy 1.0 1.8 5.0 217 195 A 30 PHE H A 29 GLU HGx 1.0 1.8 5.0 218 196 A 30 PHE H A 30 PHE HBx 1.0 1.8 5.0 219 197 A 30 PHE H A 28 ASN HA 1.0 1.8 5.0 220 198 A 29 GLU H A 30 PHE H 1.0 1.8 3.5 221 199 A 30 PHE H A 30 PHE HD% 1.0 1.8 5.0 222 200 A 30 PHE H A 28 ASN HD2x 1.0 1.8 5.0 223 201 A 11 GLU H A 11 GLU HGx 1.0 1.8 5.0 224 201 A 11 GLU H A 11 GLU HGy 1.0 1.8 5.0 225 202 A 11 GLU H A 11 GLU HBy 1.0 1.8 5.0 226 203 A 11 GLU H A 11 GLU HBx 1.0 1.8 5.0 227 204 A 11 GLU H A 10 ILE HG1y 1.0 1.8 6.0 228 205 A 11 GLU H A 8 HIS HA 1.0 1.8 5.0 229 206 A 7 LYS H A 7 LYS HBx 1.0 1.8 5.0 230 206 A 7 LYS HBy A 7 LYS H 1.0 1.8 5.0 231 207 A 17 LEU H A 17 LEU HBy 1.0 1.8 5.0 232 208 A 17 LEU H A 17 LEU HG 1.0 1.8 5.0 233 209 A 17 LEU H A 17 LEU HBx 1.0 1.8 5.0 234 210 A 17 LEU H A 17 LEU HD2% 1.0 1.8 5.0 235 211 A 17 LEU H A 17 LEU HD1% 1.0 1.8 5.0 236 212 A 17 LEU H A 32 ALA HB% 1.0 1.8 6.0 237 213 A 13 TYR HBx A 17 LEU H 1.0 1.8 6.0 238 214 A 17 LEU H A 15 HIS HBx 1.0 1.8 6.0 239 214 A 15 HIS HBy A 17 LEU H 1.0 1.8 6.0 240 215 A 16 GLN H A 17 LEU H 1.0 1.8 5.0 241 216 A 14 TYR H A 17 LEU H 1.0 1.8 6.0 242 217 A 15 HIS H A 17 LEU H 1.0 1.8 6.0 243 218 A 27 THR H A 27 THR HG2% 1.0 1.8 3.5 244 219 A 27 THR H A 28 ASN HBx 1.0 1.8 5.0 245 220 A 27 THR H A 27 THR HB 1.0 1.8 5.0 246 221 A 27 THR H A 28 ASN HBy 1.0 1.8 5.0 247 222 A 27 THR H A 26 CYS H 1.0 1.8 5.0 248 223 A 50 LEU H A 50 LEU HBy 1.0 1.8 3.5 249 224 A 50 LEU H A 50 LEU HD2% 1.0 1.8 5.0 250 225 A 10 ILE HG2% A 50 LEU H 1.0 1.8 5.0 251 226 A 50 LEU H A 51 GLU HBx 1.0 1.8 5.0 252 226 A 50 LEU H A 51 GLU HBy 1.0 1.8 5.0 253 227 A 50 LEU H A 51 GLU H 1.0 1.8 3.5 254 228 A 50 LEU H A 48 LYS H 1.0 1.8 6.0 255 229 A 50 LEU H A 52 LEU H 1.0 1.8 6.0 256 230 A 54 LYS H A 55 ILE H 1.0 1.8 3.5 257 231 A 55 ILE HB A 55 ILE H 1.0 1.8 5.0 258 232 A 55 ILE H A 54 LYS HDx 1.0 1.8 5.0 259 232 A 55 ILE H A 54 LYS HDy 1.0 1.8 5.0 260 233 A 57 ALA HB% A 55 ILE H 1.0 1.8 5.0 261 234 A 36 THR HG2% A 36 THR H 1.0 1.8 3.5 262 235 A 36 THR H A 35 PRO HGy 1.0 1.8 5.0 263 236 A 36 THR H A 34 CYS HBx 1.0 1.8 5.0 264 236 A 34 CYS HBy A 36 THR H 1.0 1.8 5.0 265 237 A 37 PHE HBx A 36 THR H 1.0 1.8 5.0 266 238 A 36 THR H A 35 PRO HDx 1.0 1.8 5.0 267 238 A 35 PRO HDy A 36 THR H 1.0 1.8 5.0 268 239 A 19 GLU H A 20 GLY H 1.0 1.8 3.5 269 240 A 17 LEU H A 20 GLY H 1.0 1.8 6.0 270 241 A 32 ALA H A 20 GLY H 1.0 1.8 6.0 271 242 A 36 THR H A 34 CYS H 1.0 1.8 6.0 272 243 A 20 GLY H A 18 THR H 1.0 1.8 5.0 273 244 A 16 GLN HA A 20 GLY H 1.0 1.8 5.0 274 245 A 20 GLY H A 19 GLU HGx 1.0 1.8 5.0 275 245 A 19 GLU HGy A 20 GLY H 1.0 1.8 5.0 276 246 A 17 LEU HG A 18 THR H 1.0 1.8 6.0 277 247 A 18 THR H A 19 GLU HGx 1.0 1.8 6.0 278 247 A 19 GLU HGy A 18 THR H 1.0 1.8 6.0 279 248 A 18 THR H A 17 LEU HD2% 1.0 1.8 6.0 280 249 A 18 THR HG2% A 18 THR H 1.0 1.8 3.5 281 250 A 15 HIS HA A 18 THR H 1.0 1.8 5.0 282 251 A 17 LEU H A 18 THR H 1.0 1.8 5.0 283 252 A 19 GLU H A 18 THR H 1.0 1.8 3.5 284 253 A 23 ASN H A 22 GLY H 1.0 1.8 3.5 285 254 A 48 LYS H A 48 LYS HBy 1.0 1.8 3.5 286 255 A 47 ILE HG2% A 48 LYS H 1.0 1.8 5.0 287 256 A 48 LYS H A 48 LYS HGx 1.0 1.8 5.0 288 256 A 48 LYS HGy A 48 LYS H 1.0 1.8 5.0 289 257 A 48 LYS H A 48 LYS HDy 1.0 1.8 5.0 290 258 A 48 LYS H A 48 LYS HDx 1.0 1.8 5.0 291 259 A 48 LYS H A 48 LYS HBx 1.0 1.8 3.5 292 260 A 23 ASN H A 23 ASN HBx 1.0 1.8 5.0 293 261 A 49 ALA H A 48 LYS H 1.0 1.8 3.5 294 262 A 47 ILE H A 48 LYS H 1.0 1.8 3.5 295 263 A 23 ASN H A 23 ASN HBy 1.0 1.8 5.0 296 264 A 16 GLN H A 16 GLN HBy 1.0 1.8 5.0 297 265 A 16 GLN H A 16 GLN HBx 1.0 1.8 5.0 298 266 A 22 GLY H A 33 SER HBx 1.0 1.8 5.0 299 266 A 33 SER HBy A 22 GLY H 1.0 1.8 5.0 300 267 A 47 ILE H A 48 LYS HBy 1.0 1.8 5.0 301 268 A 47 ILE H A 47 ILE HB 1.0 1.8 3.5 302 269 A 47 ILE H A 47 ILE HG1y 1.0 1.8 5.0 303 270 A 47 ILE H A 45 ALA H 1.0 1.8 5.0 304 271 A 8 HIS H A 8 HIS HBx 1.0 1.8 5.0 305 271 A 8 HIS HBy A 8 HIS H 1.0 1.8 5.0 306 272 A 8 HIS H A 7 LYS HBx 1.0 1.8 5.0 307 272 A 7 LYS HBy A 8 HIS H 1.0 1.8 5.0 308 273 A 8 HIS H A 6 ALA HB% 1.0 1.8 6.0 309 274 A 10 ILE H A 10 ILE HG1x 1.0 1.8 5.0 310 275 A 16 GLN HE2y A 52 LEU HD1% 1.0 1.8 6.0 311 276 A 16 GLN HE2x A 52 LEU HD1% 1.0 1.8 6.0 312 277 A 13 TYR HE% A 16 GLN HE2x 1.0 1.8 5.0 313 278 A 28 ASN HD2x A 16 GLN HE2x 1.0 1.8 6.0 314 279 A 13 TYR HE% A 16 GLN HE2y 1.0 1.8 5.0 315 280 A 28 ASN HD2x A 16 GLN HE2y 1.0 1.8 6.0 316 281 A 23 ASN H A 23 ASN HD2x 1.0 1.8 6.0 317 282 A 23 ASN H A 23 ASN HD2y 1.0 1.8 6.0 318 283 A 26 CYS HA A 23 ASN HD2x 1.0 1.8 5.0 319 284 A 26 CYS HA A 23 ASN HD2y 1.0 1.8 5.0 320 285 A 26 CYS HBy A 23 ASN HD2x 1.0 1.8 6.0 321 286 A 26 CYS HBy A 23 ASN HD2y 1.0 1.8 6.0 322 287 A 28 ASN HD2y A 30 PHE HD% 1.0 1.8 6.0 323 288 A 28 ASN HD2x A 30 PHE HD% 1.0 1.8 5.0 324 289 A 28 ASN HD2x A 30 PHE HBy 1.0 1.8 5.0 325 290 A 31 CYS HBy A 28 ASN HD2x 1.0 1.8 5.0 326 291 A 28 ASN HD2x A 58 LYS HBx 1.0 1.8 5.0 327 291 A 58 LYS HBy A 28 ASN HD2x 1.0 1.8 5.0 328 292 A 28 ASN HD2y A 58 LYS HGx 1.0 1.8 6.0 329 293 A 28 ASN HD2x A 58 LYS HGx 1.0 1.8 5.0 330 294 A 28 ASN HD2x A 58 LYS HGy 1.0 1.8 6.0 331 295 A 56 ASN HA A 56 ASN HD2x 1.0 1.8 5.0 332 296 A 56 ASN HA A 56 ASN HD2y 1.0 1.8 5.0 333 297 A 34 CYS H A 37 PHE HA 1.0 1.8 6.0 334 298 A 34 CYS H A 32 ALA HB% 1.0 1.8 5.0 335 299 A 37 PHE HBx A 34 CYS H 1.0 1.8 5.0 336 300 A 37 PHE HBy A 34 CYS H 1.0 1.8 5.0 337 301 A 7 LYS H A 4 ALA HA 1.0 1.8 5.0 338 302 A 7 LYS H A 6 ALA H 1.0 1.8 5.0 339 303 A 7 LYS H A 8 HIS H 1.0 1.8 6.0 340 304 A 9 LEU H A 8 HIS H 1.0 1.8 3.5 341 305 A 10 ILE H A 9 LEU H 1.0 1.8 5.0 342 306 A 16 GLN HA A 18 THR H 1.0 1.8 5.0 343 307 A 14 TYR H A 16 GLN H 1.0 1.8 5.0 344 308 A 16 GLN H A 18 THR H 1.0 1.8 5.0 345 309 A 32 ALA H A 20 GLY HAx 1.0 1.8 5.0 346 310 A 58 LYS H A 30 PHE HD% 1.0 1.8 5.0 347 311 A 21 CYS H A 33 SER HBx 1.0 1.8 5.0 348 311 A 21 CYS H A 33 SER HBy 1.0 1.8 5.0 349 312 A 37 PHE HE% A 38 LEU H 1.0 1.8 5.0 350 313 A 44 ALA H A 43 ASN H 1.0 1.8 5.0 351 314 A 44 ALA H A 41 ASP H 1.0 1.8 5.0 352 315 A 50 LEU H A 47 ILE HA 1.0 1.8 5.0 353 316 A 55 ILE H A 53 TYR H 1.0 1.8 5.0 354 317 A 59 LEU H A 58 LYS HBx 1.0 1.8 5.0 355 317 A 59 LEU H A 58 LYS HBy 1.0 1.8 5.0 356 318 A 32 ALA H A 31 CYS HA 1.0 1.8 3.5 357 319 A 32 ALA H A 31 CYS HBx 1.0 1.8 5.0 358 320 A 38 LEU H A 37 PHE HA 1.0 1.8 3.5 359 321 A 38 LEU H A 37 PHE HBy 1.0 1.8 5.0 360 322 A 38 LEU H A 37 PHE HBx 1.0 1.8 5.0 361 323 A 26 CYS H A 25 ALA HA 1.0 1.8 3.5 362 324 A 26 CYS H A 25 ALA HB% 1.0 1.8 5.0 363 325 A 37 PHE H A 36 THR HB 1.0 1.8 5.0 364 326 A 37 PHE H A 36 THR HA 1.0 1.8 5.0 365 327 A 34 CYS H A 33 SER HBx 1.0 1.8 5.0 366 327 A 34 CYS H A 33 SER HBy 1.0 1.8 5.0 367 328 A 39 ARG H A 38 LEU HA 1.0 1.8 2.7 368 329 A 39 ARG H A 38 LEU HBx 1.0 1.8 5.0 369 330 A 39 ARG H A 38 LEU HBy 1.0 1.8 5.0 370 331 A 19 GLU H A 18 THR HB 1.0 1.8 5.0 371 332 A 44 ALA H A 43 ASN HBx 1.0 1.8 5.0 372 333 A 44 ALA H A 43 ASN HBy 1.0 1.8 5.0 373 334 A 62 PRO HA A 63 HIS H 1.0 1.8 3.5 374 335 A 63 HIS H A 62 PRO HBx 1.0 1.8 5.0 375 336 A 63 HIS H A 62 PRO HBy 1.0 1.8 5.0 376 337 A 40 MET H A 39 ARG HA 1.0 1.8 3.5 377 338 A 40 MET H A 39 ARG HBx 1.0 1.8 5.0 378 338 A 39 ARG HBy A 40 MET H 1.0 1.8 5.0 379 339 A 40 MET H A 39 ARG HGx 1.0 1.8 5.0 380 339 A 39 ARG HGy A 40 MET H 1.0 1.8 5.0 381 340 A 41 ASP H A 40 MET HA 1.0 1.8 3.5 382 341 A 41 ASP H A 40 MET HBx 1.0 1.8 5.0 383 342 A 40 MET HBy A 41 ASP H 1.0 1.8 5.0 384 343 A 14 TYR H A 13 TYR HBy 1.0 1.8 5.0 385 344 A 14 TYR H A 14 TYR HBy 1.0 1.8 5.0 386 345 A 14 TYR H A 13 TYR HBx 1.0 1.8 5.0 387 346 A 15 HIS H A 14 TYR HBy 1.0 1.8 5.0 388 347 A 14 TYR HBx A 15 HIS H 1.0 1.8 3.5 389 348 A 49 ALA H A 46 ALA HA 1.0 1.8 5.0 390 349 A 49 ALA H A 48 LYS HBx 1.0 1.8 5.0 391 350 A 49 ALA H A 48 LYS HBy 1.0 1.8 5.0 392 351 A 58 LYS H A 57 ALA HA 1.0 1.8 3.5 393 352 A 58 LYS H A 57 ALA HB% 1.0 1.8 5.0 394 353 A 61 ASP H A 60 CYS HA 1.0 1.8 3.5 395 354 A 61 ASP H A 60 CYS HBx 1.0 1.8 5.0 396 355 A 29 GLU H A 28 ASN HA 1.0 1.8 3.5 397 356 A 29 GLU H A 28 ASN HBx 1.0 1.8 5.0 398 357 A 59 LEU HA A 60 CYS H 1.0 1.8 3.5 399 358 A 60 CYS H A 59 LEU HG 1.0 1.8 5.0 400 359 A 60 CYS H A 59 LEU HBy 1.0 1.8 5.0 401 360 A 24 GLU H A 23 ASN HA 1.0 1.8 3.5 402 361 A 24 GLU H A 23 ASN HBx 1.0 1.8 5.0 403 362 A 52 LEU H A 51 GLU HBx 1.0 1.8 5.0 404 362 A 52 LEU H A 51 GLU HBy 1.0 1.8 5.0 405 363 A 46 ALA H A 45 ALA HB% 1.0 1.8 3.5 406 364 A 12 ARG H A 11 GLU HBx 1.0 1.8 5.0 407 365 A 12 ARG H A 11 GLU HBy 1.0 1.8 5.0 408 366 A 25 ALA H A 24 GLU HBx 1.0 1.8 5.0 409 367 A 25 ALA H A 24 GLU HBy 1.0 1.8 5.0 410 368 A 6 ALA H A 5 ALA HB% 1.0 1.8 5.0 411 369 A 9 LEU H A 6 ALA HA 1.0 1.8 5.0 412 370 A 54 LYS H A 51 GLU HBx 1.0 1.8 5.0 413 370 A 54 LYS H A 51 GLU HBy 1.0 1.8 5.0 414 371 A 57 ALA H A 56 ASN HA 1.0 1.8 3.5 415 372 A 57 ALA H A 56 ASN HBx 1.0 1.8 5.0 416 373 A 57 ALA H A 56 ASN HBy 1.0 1.8 5.0 417 374 A 31 CYS H A 28 ASN HBx 1.0 1.8 5.0 418 375 A 31 CYS H A 30 PHE HBy 1.0 1.8 6.0 419 376 A 31 CYS H A 30 PHE HBx 1.0 1.8 5.0 420 377 A 51 GLU H A 50 LEU HBy 1.0 1.8 5.0 421 378 A 51 GLU H A 50 LEU HBx 1.0 1.8 5.0 422 379 A 11 GLU H A 10 ILE HB 1.0 1.8 5.0 423 380 A 30 PHE H A 29 GLU HBx 1.0 1.8 5.0 424 381 A 30 PHE H A 29 GLU HBy 1.0 1.8 5.0 425 382 A 7 LYS H A 6 ALA HB% 1.0 1.8 5.0 426 383 A 17 LEU H A 16 GLN HBx 1.0 1.8 5.0 427 384 A 17 LEU H A 16 GLN HBy 1.0 1.8 5.0 428 385 A 27 THR H A 26 CYS HA 1.0 1.8 3.5 429 386 A 27 THR H A 26 CYS HBx 1.0 1.8 5.0 430 387 A 27 THR H A 26 CYS HBy 1.0 1.8 5.0 431 388 A 49 ALA HB% A 50 LEU H 1.0 1.8 3.5 432 389 A 55 ILE H A 54 LYS HBx 1.0 1.8 5.0 433 389 A 54 LYS HBy A 55 ILE H 1.0 1.8 5.0 434 390 A 36 THR H A 35 PRO HBy 1.0 1.8 5.0 435 391 A 36 THR H A 35 PRO HBx 1.0 1.8 5.0 436 392 A 18 THR H A 17 LEU HBx 1.0 1.8 5.0 437 393 A 18 THR H A 17 LEU HBy 1.0 1.8 5.0 438 394 A 47 ILE HB A 48 LYS H 1.0 1.8 3.5 439 395 A 16 GLN H A 14 TYR HA 1.0 1.8 5.0 440 396 A 16 GLN H A 15 HIS HBx 1.0 1.8 3.5 441 396 A 15 HIS HBy A 16 GLN H 1.0 1.8 3.5 442 397 A 22 GLY H A 21 CYS HBx 1.0 1.8 6.0 443 398 A 22 GLY H A 21 CYS HBy 1.0 1.8 6.0 444 399 A 47 ILE H A 44 ALA HA 1.0 1.8 5.0 445 400 A 3 ARG H A 2 LYS HBx 1.0 1.8 5.0 446 401 A 3 ARG H A 2 LYS HBy 1.0 1.8 5.0 447 402 A 10 ILE H A 9 LEU HBy 1.0 1.8 5.0 448 403 A 10 ILE H A 9 LEU HBx 1.0 1.8 5.0 449 404 A 52 LEU HBx A 53 TYR H 1.0 1.8 5.0 450 405 A 52 LEU HBy A 53 TYR H 1.0 1.8 5.0 451 406 A 20 GLY H A 19 GLU HBx 1.0 1.8 5.0 452 407 A 20 GLY H A 19 GLU HBy 1.0 1.8 5.0 453 408 A 26 CYS HA A 27 THR HG2% 1.0 1.8 5.0 454 409 A 53 TYR HD% A 50 LEU HA 1.0 1.8 5.0 455 410 A 54 LYS H A 50 LEU HA 1.0 1.8 6.0 456 411 A 58 LYS HA A 58 LYS HEx 1.0 1.8 5.0 457 411 A 58 LYS HA A 58 LYS HEy 1.0 1.8 5.0 458 412 A 17 LEU HA A 31 CYS HA 1.0 1.8 5.0 459 413 A 31 CYS HA A 16 GLN HGy 1.0 1.8 5.0 460 414 A 31 CYS HA A 16 GLN HGx 1.0 1.8 5.0 461 415 A 32 ALA HB% A 31 CYS HA 1.0 1.8 5.0 462 416 A 28 ASN HBx A 31 CYS HBy 1.0 1.8 5.0 463 417 A 28 ASN HBx A 31 CYS HBx 1.0 1.8 5.0 464 418 A 31 CYS HBx A 32 ALA HA 1.0 1.8 6.0 465 419 A 31 CYS HBy A 37 PHE HBy 1.0 1.8 6.0 466 420 A 31 CYS HBy A 34 CYS HBx 1.0 1.8 5.0 467 420 A 31 CYS HBy A 34 CYS HBy 1.0 1.8 5.0 468 421 A 28 ASN HD2y A 31 CYS HBy 1.0 1.8 5.0 469 422 A 28 ASN HD2y A 31 CYS HBx 1.0 1.8 5.0 470 423 A 37 PHE HD% A 37 PHE HA 1.0 1.8 5.0 471 424 A 37 PHE HE% A 37 PHE HA 1.0 1.8 5.0 472 425 A 37 PHE HBx A 32 ALA HB% 1.0 1.8 6.0 473 426 A 37 PHE HBy A 32 ALA HB% 1.0 1.8 6.0 474 427 A 25 ALA HB% A 24 GLU HGx 1.0 1.8 5.0 475 427 A 24 GLU HGy A 25 ALA HB% 1.0 1.8 5.0 476 428 A 38 LEU HA A 39 ARG HA 1.0 1.8 5.0 477 429 A 38 LEU H A 38 LEU HBx 1.0 1.8 5.0 478 430 A 38 LEU H A 38 LEU HG 1.0 1.8 5.0 479 431 A 45 ALA HB% A 18 THR HA 1.0 1.8 5.0 480 432 A 18 THR HB A 19 GLU HGx 1.0 1.8 5.0 481 432 A 19 GLU HGy A 18 THR HB 1.0 1.8 5.0 482 433 A 45 ALA HB% A 18 THR HB 1.0 1.8 6.0 483 434 A 45 ALA HB% A 18 THR HG2% 1.0 1.8 3.5 484 435 A 18 THR HG2% A 17 LEU HBx 1.0 1.8 5.0 485 436 A 18 THR HG2% A 17 LEU HBy 1.0 1.8 5.0 486 437 A 18 THR HG2% A 19 GLU HGx 1.0 1.8 5.0 487 437 A 19 GLU HGy A 18 THR HG2% 1.0 1.8 5.0 488 438 A 14 TYR HD% A 18 THR HG2% 1.0 1.8 5.0 489 439 A 18 THR HG2% A 14 TYR HE% 1.0 1.8 5.0 490 440 A 15 HIS H A 18 THR HG2% 1.0 1.8 6.0 491 441 A 18 THR HG2% A 17 LEU H 1.0 1.8 5.0 492 442 A 44 ALA HB% A 43 ASN HBx 1.0 1.8 5.0 493 443 A 61 ASP HA A 62 PRO HDy 1.0 1.8 3.5 494 444 A 61 ASP HBy A 62 PRO HDx 1.0 1.8 5.0 495 445 A 61 ASP HBy A 62 PRO HDy 1.0 1.8 5.0 496 446 A 37 PHE HE% A 39 ARG HA 1.0 1.8 5.0 497 447 A 38 LEU HA A 39 ARG HBx 1.0 1.8 5.0 498 447 A 39 ARG HBy A 38 LEU HA 1.0 1.8 5.0 499 448 A 39 ARG HBx A 39 ARG HDx 1.0 1.8 3.5 500 448 A 39 ARG HBy A 39 ARG HDx 1.0 1.8 3.5 501 448 A 39 ARG HDy A 39 ARG HBx 1.0 1.8 3.5 502 448 A 39 ARG HBy A 39 ARG HDy 1.0 1.8 3.5 503 449 A 32 ALA HB% A 39 ARG HDx 1.0 1.8 5.0 504 449 A 32 ALA HB% A 39 ARG HDy 1.0 1.8 5.0 505 450 A 39 ARG H A 39 ARG HDx 1.0 1.8 5.0 506 450 A 39 ARG H A 39 ARG HDy 1.0 1.8 5.0 507 451 A 37 PHE HD% A 39 ARG HDx 1.0 1.8 5.0 508 451 A 37 PHE HD% A 39 ARG HDy 1.0 1.8 5.0 509 452 A 37 PHE HE% A 39 ARG HDx 1.0 1.8 5.0 510 452 A 37 PHE HE% A 39 ARG HDy 1.0 1.8 5.0 511 453 A 18 THR HA A 40 MET HGx 1.0 1.8 6.0 512 454 A 45 ALA HA A 40 MET HGx 1.0 1.8 6.0 513 455 A 18 THR HA A 40 MET HGy 1.0 1.8 6.0 514 456 A 45 ALA HA A 40 MET HGy 1.0 1.8 6.0 515 457 A 44 ALA HB% A 40 MET HGx 1.0 1.8 5.0 516 458 A 37 PHE HE% A 40 MET HGy 1.0 1.8 5.0 517 459 A 37 PHE HE% A 40 MET HGx 1.0 1.8 5.0 518 460 A 45 ALA HB% A 40 MET HBx 1.0 1.8 6.0 519 461 A 12 ARG HA A 15 HIS HBx 1.0 1.8 5.0 520 461 A 15 HIS HBy A 12 ARG HA 1.0 1.8 5.0 521 462 A 11 GLU HBy A 12 ARG HA 1.0 1.8 6.0 522 463 A 11 GLU HBx A 12 ARG HA 1.0 1.8 5.0 523 464 A 15 HIS H A 12 ARG HA 1.0 1.8 5.0 524 465 A 16 GLN H A 12 ARG HA 1.0 1.8 5.0 525 466 A 12 ARG H A 12 ARG HGx 1.0 1.8 5.0 526 467 A 12 ARG H A 12 ARG HGy 1.0 1.8 5.0 527 468 A 9 LEU HD2% A 12 ARG HDy 1.0 1.8 6.0 528 469 A 49 ALA HA A 13 TYR HA 1.0 1.8 5.0 529 470 A 13 TYR HA A 16 GLN HBy 1.0 1.8 5.0 530 471 A 13 TYR HA A 16 GLN HBx 1.0 1.8 5.0 531 472 A 49 ALA HB% A 13 TYR HA 1.0 1.8 6.0 532 473 A 16 GLN H A 13 TYR HA 1.0 1.8 5.0 533 474 A 13 TYR HD% A 13 TYR HA 1.0 1.8 5.0 534 475 A 13 TYR HBy A 10 ILE HA 1.0 1.8 5.0 535 476 A 13 TYR HBx A 49 ALA HA 1.0 1.8 5.0 536 477 A 17 LEU HG A 14 TYR HA 1.0 1.8 5.0 537 478 A 45 ALA HB% A 14 TYR HA 1.0 1.8 5.0 538 479 A 17 LEU H A 14 TYR HA 1.0 1.8 5.0 539 480 A 14 TYR HD% A 14 TYR HA 1.0 1.8 5.0 540 481 A 14 TYR HBx A 11 GLU HA 1.0 1.8 5.0 541 482 A 14 TYR HBx A 49 ALA HB% 1.0 1.8 5.0 542 483 A 51 GLU HGx A 48 LYS HA 1.0 1.8 5.0 543 484 A 52 LEU H A 48 LYS HA 1.0 1.8 5.0 544 485 A 51 GLU H A 48 LYS HA 1.0 1.8 5.0 545 486 A 45 ALA HA A 48 LYS HBy 1.0 1.8 5.0 546 487 A 30 PHE HD% A 48 LYS HBx 1.0 1.8 6.0 547 488 A 51 GLU H A 48 LYS HBx 1.0 1.8 6.0 548 489 A 48 LYS HGy A 17 LEU HD2% 1.0 1.8 5.0 549 489 A 17 LEU HD2% A 48 LYS HGx 1.0 1.8 5.0 550 490 A 52 LEU HD2% A 48 LYS HDy 1.0 1.8 6.0 551 491 A 52 LEU HD2% A 48 LYS HDx 1.0 1.8 6.0 552 492 A 55 ILE HG2% A 54 LYS HEx 1.0 1.8 5.0 553 492 A 55 ILE HG2% A 54 LYS HEy 1.0 1.8 5.0 554 493 A 30 PHE HD% A 48 LYS HEy 1.0 1.8 5.0 555 494 A 55 ILE H A 54 LYS HEx 1.0 1.8 6.0 556 494 A 55 ILE H A 54 LYS HEy 1.0 1.8 6.0 557 495 A 30 PHE HD% A 48 LYS HEx 1.0 1.8 5.0 558 496 A 48 LYS H A 44 ALA HA 1.0 1.8 5.0 559 497 A 47 ILE HB A 44 ALA HA 1.0 1.8 5.0 560 498 A 44 ALA HA A 47 ILE HG1x 1.0 1.8 5.0 561 499 A 47 ILE HG2% A 44 ALA HA 1.0 1.8 5.0 562 500 A 44 ALA HA A 47 ILE HD1% 1.0 1.8 5.0 563 501 A 40 MET HBy A 44 ALA HA 1.0 1.8 5.0 564 502 A 44 ALA HB% A 40 MET HA 1.0 1.8 5.0 565 503 A 44 ALA HB% A 40 MET HGy 1.0 1.8 5.0 566 504 A 44 ALA HB% A 40 MET HBy 1.0 1.8 3.5 567 505 A 44 ALA HB% A 40 MET HBx 1.0 1.8 3.5 568 506 A 44 ALA HB% A 47 ILE HB 1.0 1.8 5.0 569 507 A 44 ALA HB% A 41 ASP HBy 1.0 1.8 5.0 570 508 A 44 ALA HB% A 43 ASN HBy 1.0 1.8 5.0 571 509 A 44 ALA HB% A 47 ILE HG2% 1.0 1.8 6.0 572 510 A 44 ALA HB% A 47 ILE HG1y 1.0 1.8 5.0 573 511 A 44 ALA HB% A 41 ASP H 1.0 1.8 5.0 574 512 A 46 ALA H A 44 ALA HB% 1.0 1.8 5.0 575 513 A 44 ALA HB% A 47 ILE H 1.0 1.8 5.0 576 514 A 57 ALA HA A 58 LYS HBx 1.0 1.8 6.0 577 514 A 58 LYS HBy A 57 ALA HA 1.0 1.8 6.0 578 515 A 57 ALA HA A 55 ILE HD1% 1.0 1.8 5.0 579 516 A 57 ALA HB% A 58 LYS HA 1.0 1.8 5.0 580 517 A 57 ALA HB% A 52 LEU HA 1.0 1.8 3.5 581 518 A 55 ILE HB A 57 ALA HB% 1.0 1.8 5.0 582 519 A 57 ALA HB% A 58 LYS HBx 1.0 1.8 5.0 583 519 A 58 LYS HBy A 57 ALA HB% 1.0 1.8 5.0 584 520 A 52 LEU HG A 57 ALA HB% 1.0 1.8 5.0 585 521 A 57 ALA HB% A 52 LEU HD1% 1.0 1.8 5.0 586 522 A 57 ALA HB% A 52 LEU HBx 1.0 1.8 3.5 587 523 A 13 TYR HE% A 57 ALA HB% 1.0 1.8 3.5 588 524 A 13 TYR HD% A 57 ALA HB% 1.0 1.8 6.0 589 525 A 57 ALA HB% A 30 PHE HD% 1.0 1.8 5.0 590 526 A 52 LEU H A 57 ALA HB% 1.0 1.8 5.0 591 527 A 28 ASN HD2y A 60 CYS HA 1.0 1.8 6.0 592 528 A 59 LEU H A 60 CYS HA 1.0 1.8 6.0 593 529 A 13 TYR HE% A 59 LEU HA 1.0 1.8 5.0 594 530 A 59 LEU HA A 58 LYS HA 1.0 1.8 6.0 595 531 A 58 LYS HA A 59 LEU HBx 1.0 1.8 6.0 596 532 A 58 LYS HA A 59 LEU HBy 1.0 1.8 6.0 597 533 A 13 TYR HE% A 59 LEU HG 1.0 1.8 6.0 598 534 A 59 LEU H A 59 LEU HG 1.0 1.8 5.0 599 535 A 13 TYR HBy A 59 LEU HD1% 1.0 1.8 6.0 600 536 A 12 ARG HBx A 59 LEU HD1% 1.0 1.8 5.0 601 537 A 12 ARG HBy A 59 LEU HD1% 1.0 1.8 5.0 602 538 A 13 TYR HBy A 59 LEU HD2% 1.0 1.8 6.0 603 539 A 12 ARG HBx A 59 LEU HD2% 1.0 1.8 5.0 604 540 A 12 ARG HBy A 59 LEU HD2% 1.0 1.8 5.0 605 541 A 9 LEU HD1% A 59 LEU HD2% 1.0 1.8 5.0 606 542 A 9 LEU HD2% A 59 LEU HD2% 1.0 1.8 5.0 607 543 A 13 TYR HE% A 59 LEU HD2% 1.0 1.8 5.0 608 544 A 13 TYR HD% A 59 LEU HD2% 1.0 1.8 5.0 609 545 A 13 TYR HE% A 59 LEU HD1% 1.0 1.8 5.0 610 546 A 13 TYR HD% A 59 LEU HD1% 1.0 1.8 5.0 611 547 A 59 LEU H A 59 LEU HD1% 1.0 1.8 5.0 612 548 A 25 ALA H A 23 ASN HBx 1.0 1.8 6.0 613 549 A 37 PHE HBy A 32 ALA HA 1.0 1.8 5.0 614 550 A 31 CYS HA A 32 ALA HA 1.0 1.8 5.0 615 551 A 32 ALA HA A 33 SER HA 1.0 1.8 6.0 616 552 A 37 PHE HE% A 32 ALA HA 1.0 1.8 5.0 617 553 A 34 CYS H A 32 ALA HA 1.0 1.8 5.0 618 554 A 17 LEU HA A 32 ALA HB% 1.0 1.8 5.0 619 555 A 32 ALA HB% A 33 SER HBx 1.0 1.8 5.0 620 555 A 33 SER HBy A 32 ALA HB% 1.0 1.8 5.0 621 556 A 32 ALA HB% A 18 THR HA 1.0 1.8 5.0 622 557 A 32 ALA HB% A 19 GLU HA 1.0 1.8 6.0 623 558 A 32 ALA HB% A 20 GLY HAx 1.0 1.8 5.0 624 559 A 32 ALA HB% A 20 GLY HAy 1.0 1.8 5.0 625 560 A 17 LEU HG A 32 ALA HB% 1.0 1.8 6.0 626 561 A 32 ALA HB% A 19 GLU HGx 1.0 1.8 6.0 627 561 A 19 GLU HGy A 32 ALA HB% 1.0 1.8 6.0 628 562 A 37 PHE HD% A 32 ALA HB% 1.0 1.8 5.0 629 563 A 37 PHE HE% A 32 ALA HB% 1.0 1.8 5.0 630 564 A 32 ALA HB% A 20 GLY H 1.0 1.8 5.0 631 565 A 21 CYS H A 32 ALA HB% 1.0 1.8 5.0 632 566 A 32 ALA H A 32 ALA HB% 1.0 1.8 3.5 633 567 A 19 GLU H A 32 ALA HB% 1.0 1.8 5.0 634 568 A 51 GLU HA A 52 LEU HA 1.0 1.8 6.0 635 569 A 51 GLU HA A 54 LYS HBx 1.0 1.8 5.0 636 569 A 54 LYS HBy A 51 GLU HA 1.0 1.8 5.0 637 570 A 51 GLU HA A 54 LYS HDx 1.0 1.8 5.0 638 570 A 51 GLU HA A 54 LYS HDy 1.0 1.8 5.0 639 571 A 51 GLU HA A 53 TYR H 1.0 1.8 6.0 640 572 A 48 LYS HA A 51 GLU HBx 1.0 1.8 5.0 641 572 A 51 GLU HBy A 48 LYS HA 1.0 1.8 5.0 642 573 A 11 GLU HBx A 12 ARG HGy 1.0 1.8 5.0 643 574 A 48 LYS HGy A 51 GLU HBx 1.0 1.8 6.0 644 574 A 51 GLU HBy A 48 LYS HGx 1.0 1.8 6.0 645 574 A 48 LYS HGy A 51 GLU HBy 1.0 1.8 6.0 646 574 A 48 LYS HGx A 51 GLU HBx 1.0 1.8 6.0 647 575 A 47 ILE HG2% A 51 GLU HBx 1.0 1.8 6.0 648 575 A 51 GLU HBy A 47 ILE HG2% 1.0 1.8 6.0 649 576 A 52 LEU H A 51 GLU HGy 1.0 1.8 5.0 650 577 A 51 GLU H A 51 GLU HGy 1.0 1.8 5.0 651 578 A 48 LYS HA A 51 GLU HGy 1.0 1.8 5.0 652 579 A 47 ILE HD1% A 51 GLU HGy 1.0 1.8 6.0 653 580 A 55 ILE HG2% A 51 GLU HGy 1.0 1.8 6.0 654 581 A 51 GLU HGx A 47 ILE HD1% 1.0 1.8 6.0 655 582 A 51 GLU HGx A 55 ILE HG2% 1.0 1.8 6.0 656 583 A 45 ALA HA A 48 LYS H 1.0 1.8 5.0 657 584 A 45 ALA HA A 48 LYS HBx 1.0 1.8 5.0 658 585 A 45 ALA HA A 17 LEU HG 1.0 1.8 5.0 659 586 A 45 ALA HB% A 41 ASP H 1.0 1.8 6.0 660 587 A 45 ALA HB% A 48 LYS H 1.0 1.8 6.0 661 588 A 45 ALA HB% A 14 TYR HE% 1.0 1.8 3.5 662 589 A 45 ALA HB% A 14 TYR HD% 1.0 1.8 5.0 663 590 A 45 ALA HB% A 42 ASN HA 1.0 1.8 3.5 664 591 A 45 ALA HB% A 40 MET HGy 1.0 1.8 5.0 665 592 A 45 ALA HB% A 40 MET HGx 1.0 1.8 5.0 666 593 A 45 ALA HB% A 14 TYR HBx 1.0 1.8 6.0 667 594 A 45 ALA HB% A 40 MET HBy 1.0 1.8 5.0 668 595 A 45 ALA HB% A 17 LEU HBy 1.0 1.8 5.0 669 596 A 45 ALA HB% A 49 ALA HB% 1.0 1.8 5.0 670 597 A 50 LEU H A 46 ALA HA 1.0 1.8 5.0 671 598 A 14 TYR HD% A 46 ALA HA 1.0 1.8 3.5 672 599 A 14 TYR HBy A 46 ALA HA 1.0 1.8 5.0 673 600 A 49 ALA HB% A 11 GLU HA 1.0 1.8 6.0 674 601 A 12 ARG HGy A 11 GLU HA 1.0 1.8 6.0 675 602 A 14 TYR H A 11 GLU HA 1.0 1.8 5.0 676 603 A 15 HIS H A 11 GLU HA 1.0 1.8 6.0 677 604 A 11 GLU HBx A 8 HIS HA 1.0 1.8 5.0 678 605 A 24 GLU HGy A 24 GLU HBy 1.0 1.8 3.5 679 605 A 24 GLU HBy A 24 GLU HGx 1.0 1.8 3.5 680 606 A 24 GLU HGy A 24 GLU HBx 1.0 1.8 3.5 681 606 A 24 GLU HBx A 24 GLU HGx 1.0 1.8 3.5 682 607 A 24 GLU H A 24 GLU HGx 1.0 1.8 5.0 683 607 A 24 GLU H A 24 GLU HGy 1.0 1.8 5.0 684 608 A 5 ALA HA A 8 HIS HBx 1.0 1.8 5.0 685 608 A 8 HIS HBy A 5 ALA HA 1.0 1.8 5.0 686 609 A 9 LEU H A 5 ALA HA 1.0 1.8 5.0 687 610 A 55 ILE HB A 54 LYS HGx 1.0 1.8 5.0 688 610 A 54 LYS HGy A 55 ILE HB 1.0 1.8 5.0 689 611 A 13 TYR HE% A 53 TYR HA 1.0 1.8 3.5 690 612 A 54 LYS H A 53 TYR HBy 1.0 1.8 5.0 691 613 A 11 GLU HBy A 8 HIS HA 1.0 1.8 5.0 692 614 A 55 ILE H A 56 ASN HA 1.0 1.8 5.0 693 615 A 57 ALA HB% A 56 ASN HA 1.0 1.8 5.0 694 616 A 30 PHE HD% A 30 PHE HA 1.0 1.8 3.5 695 617 A 30 PHE HBy A 58 LYS HGx 1.0 1.8 6.0 696 618 A 50 LEU HA A 10 ILE HD1% 1.0 1.8 6.0 697 619 A 10 ILE HG2% A 50 LEU HA 1.0 1.8 5.0 698 620 A 50 LEU HBx A 47 ILE HA 1.0 1.8 6.0 699 621 A 50 LEU H A 50 LEU HBx 1.0 1.8 5.0 700 622 A 50 LEU H A 50 LEU HG 1.0 1.8 5.0 701 623 A 50 LEU HD2% A 47 ILE HA 1.0 1.8 6.0 702 624 A 10 ILE HG1y A 50 LEU HD2% 1.0 1.8 3.5 703 625 A 10 ILE HG2% A 50 LEU HD2% 1.0 1.8 3.5 704 626 A 53 TYR HD% A 50 LEU HD2% 1.0 1.8 5.0 705 627 A 50 LEU HD1% A 10 ILE HD1% 1.0 1.8 3.5 706 628 A 10 ILE HG2% A 50 LEU HD1% 1.0 1.8 5.0 707 629 A 50 LEU H A 50 LEU HD1% 1.0 1.8 5.0 708 630 A 53 TYR HD% A 50 LEU HD1% 1.0 1.8 5.0 709 631 A 13 TYR HBx A 10 ILE HA 1.0 1.8 5.0 710 632 A 10 ILE HA A 11 GLU HA 1.0 1.8 6.0 711 633 A 10 ILE HA A 50 LEU HA 1.0 1.8 6.0 712 634 A 13 TYR HD% A 10 ILE HA 1.0 1.8 3.5 713 635 A 10 ILE H A 10 ILE HB 1.0 1.8 5.0 714 636 A 10 ILE HG1x A 6 ALA HA 1.0 1.8 5.0 715 637 A 10 ILE HG1y A 50 LEU HD1% 1.0 1.8 6.0 716 638 A 50 LEU HD2% A 10 ILE HG1x 1.0 1.8 5.0 717 639 A 10 ILE HG1y A 53 TYR HD% 1.0 1.8 5.0 718 640 A 50 LEU HD2% A 10 ILE HD1% 1.0 1.8 3.5 719 641 A 10 ILE HD1% A 7 LYS HBx 1.0 1.8 5.0 720 641 A 7 LYS HBy A 10 ILE HD1% 1.0 1.8 5.0 721 642 A 6 ALA HA A 10 ILE HD1% 1.0 1.8 5.0 722 643 A 53 TYR HD% A 10 ILE HD1% 1.0 1.8 5.0 723 644 A 10 ILE HD1% A 53 TYR HE% 1.0 1.8 5.0 724 645 A 10 ILE H A 10 ILE HD1% 1.0 1.8 5.0 725 646 A 10 ILE HG2% A 9 LEU HBx 1.0 1.8 6.0 726 647 A 13 TYR HBy A 10 ILE HG2% 1.0 1.8 5.0 727 648 A 10 ILE HG2% A 14 TYR HBy 1.0 1.8 5.0 728 649 A 14 TYR HBx A 10 ILE HG2% 1.0 1.8 5.0 729 650 A 10 ILE HG2% A 11 GLU HA 1.0 1.8 5.0 730 651 A 10 ILE HG2% A 53 TYR HD% 1.0 1.8 5.0 731 652 A 10 ILE H A 10 ILE HG2% 1.0 1.8 5.0 732 653 A 13 TYR H A 12 ARG HBy 1.0 1.8 5.0 733 654 A 30 PHE HD% A 29 GLU HGx 1.0 1.8 5.0 734 655 A 30 PHE HD% A 29 GLU HGy 1.0 1.8 5.0 735 656 A 6 ALA HA A 9 LEU HBx 1.0 1.8 5.0 736 657 A 9 LEU HBy A 6 ALA HA 1.0 1.8 5.0 737 658 A 6 ALA HA A 7 LYS HBx 1.0 1.8 6.0 738 658 A 7 LYS HBy A 6 ALA HA 1.0 1.8 6.0 739 659 A 6 ALA HA A 9 LEU HD1% 1.0 1.8 6.0 740 660 A 6 ALA HB% A 10 ILE HD1% 1.0 1.8 5.0 741 661 A 25 ALA HB% A 24 GLU HA 1.0 1.8 5.0 742 662 A 6 ALA HB% A 53 TYR HE% 1.0 1.8 5.0 743 663 A 16 GLN HA A 20 GLY HAy 1.0 1.8 5.0 744 664 A 16 GLN H A 16 GLN HGx 1.0 1.8 6.0 745 665 A 16 GLN H A 16 GLN HGy 1.0 1.8 6.0 746 666 A 26 CYS HBy A 35 PRO HDx 1.0 1.8 6.0 747 666 A 26 CYS HBy A 35 PRO HDy 1.0 1.8 6.0 748 667 A 26 CYS HBx A 34 CYS HA 1.0 1.8 5.0 749 668 A 26 CYS HBy A 34 CYS HA 1.0 1.8 6.0 750 669 A 13 TYR HBy A 49 ALA HA 1.0 1.8 5.0 751 670 A 49 ALA HA A 52 LEU HBy 1.0 1.8 5.0 752 671 A 49 ALA HA A 52 LEU HD1% 1.0 1.8 5.0 753 672 A 49 ALA HA A 48 LYS HGx 1.0 1.8 6.0 754 672 A 49 ALA HA A 48 LYS HGy 1.0 1.8 6.0 755 673 A 49 ALA HA A 51 GLU H 1.0 1.8 5.0 756 674 A 14 TYR HD% A 49 ALA HB% 1.0 1.8 5.0 757 675 A 13 TYR HD% A 49 ALA HB% 1.0 1.8 5.0 758 676 A 49 ALA HB% A 47 ILE H 1.0 1.8 6.0 759 677 A 49 ALA HB% A 48 LYS H 1.0 1.8 5.0 760 678 A 49 ALA HB% A 46 ALA HA 1.0 1.8 5.0 761 679 A 49 ALA HB% A 14 TYR HA 1.0 1.8 3.5 762 680 A 13 TYR HBx A 49 ALA HB% 1.0 1.8 5.0 763 681 A 13 TYR HBy A 49 ALA HB% 1.0 1.8 5.0 764 682 A 49 ALA HB% A 14 TYR HBy 1.0 1.8 5.0 765 683 A 49 ALA HB% A 10 ILE HG2% 1.0 1.8 3.5 766 684 A 53 TYR HD% A 54 LYS HA 1.0 1.8 5.0 767 685 A 54 LYS HEy A 54 LYS HGx 1.0 1.8 5.0 768 685 A 54 LYS HEx A 54 LYS HGx 1.0 1.8 5.0 769 685 A 54 LYS HGy A 54 LYS HEx 1.0 1.8 5.0 770 685 A 54 LYS HGy A 54 LYS HEy 1.0 1.8 5.0 771 686 A 58 LYS HGy A 57 ALA HA 1.0 1.8 5.0 772 687 A 54 LYS HA A 54 LYS HDx 1.0 1.8 5.0 773 687 A 54 LYS HDy A 54 LYS HA 1.0 1.8 5.0 774 688 A 54 LYS H A 54 LYS HDx 1.0 1.8 5.0 775 688 A 54 LYS H A 54 LYS HDy 1.0 1.8 5.0 776 689 A 51 GLU HA A 54 LYS HEx 1.0 1.8 5.0 777 689 A 51 GLU HA A 54 LYS HEy 1.0 1.8 5.0 778 690 A 37 PHE H A 35 PRO HA 1.0 1.8 5.0 779 691 A 36 THR HA A 35 PRO HBy 1.0 1.8 5.0 780 692 A 36 THR HG2% A 35 PRO HBy 1.0 1.8 5.0 781 693 A 36 THR HG2% A 35 PRO HBx 1.0 1.8 6.0 782 694 A 36 THR HG2% A 35 PRO HGx 1.0 1.8 5.0 783 695 A 36 THR HG2% A 35 PRO HGy 1.0 1.8 5.0 784 696 A 34 CYS HBx A 35 PRO HDx 1.0 1.8 5.0 785 696 A 34 CYS HBy A 35 PRO HDx 1.0 1.8 5.0 786 696 A 35 PRO HDy A 34 CYS HBx 1.0 1.8 5.0 787 696 A 35 PRO HDy A 34 CYS HBy 1.0 1.8 5.0 788 697 A 34 CYS HA A 35 PRO HDx 1.0 1.8 3.5 789 697 A 35 PRO HDy A 34 CYS HA 1.0 1.8 3.5 790 698 A 26 CYS HBx A 35 PRO HDx 1.0 1.8 5.0 791 698 A 35 PRO HDy A 26 CYS HBx 1.0 1.8 5.0 792 699 A 34 CYS H A 35 PRO HDx 1.0 1.8 5.0 793 699 A 35 PRO HDy A 34 CYS H 1.0 1.8 5.0 794 700 A 37 PHE HE% A 17 LEU HA 1.0 1.8 5.0 795 701 A 45 ALA HB% A 17 LEU HBx 1.0 1.8 5.0 796 702 A 48 LYS HGy A 17 LEU HD1% 1.0 1.8 5.0 797 702 A 17 LEU HD1% A 48 LYS HGx 1.0 1.8 5.0 798 703 A 52 LEU HD1% A 17 LEU HD1% 1.0 1.8 3.5 799 704 A 52 LEU HD2% A 17 LEU HD1% 1.0 1.8 5.0 800 705 A 16 GLN H A 17 LEU HD1% 1.0 1.8 6.0 801 706 A 48 LYS H A 17 LEU HD1% 1.0 1.8 6.0 802 707 A 30 PHE HD% A 17 LEU HD1% 1.0 1.8 6.0 803 708 A 52 LEU HD1% A 17 LEU HD2% 1.0 1.8 3.5 804 709 A 52 LEU HD2% A 17 LEU HD2% 1.0 1.8 5.0 805 710 A 16 GLN H A 17 LEU HD2% 1.0 1.8 6.0 806 711 A 48 LYS H A 17 LEU HD2% 1.0 1.8 6.0 807 712 A 46 ALA HB% A 47 ILE HA 1.0 1.8 5.0 808 713 A 50 LEU HBy A 47 ILE HA 1.0 1.8 5.0 809 714 A 47 ILE HG1y A 44 ALA HA 1.0 1.8 6.0 810 715 A 47 ILE H A 47 ILE HG1x 1.0 1.8 5.0 811 716 A 48 LYS H A 47 ILE HG1x 1.0 1.8 5.0 812 717 A 47 ILE H A 47 ILE HD1% 1.0 1.8 5.0 813 718 A 49 ALA H A 47 ILE HG2% 1.0 1.8 6.0 814 719 A 47 ILE H A 47 ILE HG2% 1.0 1.8 5.0 815 720 A 47 ILE HG2% A 48 LYS HA 1.0 1.8 5.0 816 721 A 51 GLU HGx A 47 ILE HG2% 1.0 1.8 5.0 817 722 A 47 ILE HG2% A 51 GLU HGy 1.0 1.8 5.0 818 723 A 15 HIS HA A 19 GLU HGx 1.0 1.8 5.0 819 723 A 15 HIS HA A 19 GLU HGy 1.0 1.8 5.0 820 724 A 42 ASN HA A 14 TYR HE% 1.0 1.8 5.0 821 725 A 46 ALA H A 42 ASN HA 1.0 1.8 5.0 822 726 A 42 ASN HA A 18 THR HG2% 1.0 1.8 5.0 823 727 A 46 ALA HB% A 14 TYR HE% 1.0 1.8 5.0 824 728 A 14 TYR HD% A 46 ALA HB% 1.0 1.8 5.0 825 729 A 45 ALA H A 46 ALA HB% 1.0 1.8 5.0 826 730 A 49 ALA H A 46 ALA HB% 1.0 1.8 6.0 827 731 A 43 ASN HA A 46 ALA HB% 1.0 1.8 5.0 828 732 A 46 ALA HB% A 50 LEU HD2% 1.0 1.8 5.0 829 733 A 46 ALA HB% A 47 ILE HD1% 1.0 1.8 5.0 830 734 A 46 ALA HB% A 47 ILE HG1y 1.0 1.8 5.0 831 735 A 10 ILE HB A 7 LYS HA 1.0 1.8 5.0 832 736 A 10 ILE HD1% A 7 LYS HA 1.0 1.8 5.0 833 737 A 10 ILE HG2% A 7 LYS HA 1.0 1.8 5.0 834 738 A 10 ILE H A 7 LYS HA 1.0 1.8 5.0 835 739 A 9 LEU HA A 8 HIS HBx 1.0 1.8 5.0 836 739 A 9 LEU HA A 8 HIS HBy 1.0 1.8 5.0 837 740 A 9 LEU HA A 12 ARG HBy 1.0 1.8 5.0 838 741 A 9 LEU HA A 12 ARG HGy 1.0 1.8 5.0 839 742 A 9 LEU HA A 59 LEU HD1% 1.0 1.8 5.0 840 743 A 9 LEU HA A 59 LEU HD2% 1.0 1.8 5.0 841 744 A 9 LEU HBx A 53 TYR HA 1.0 1.8 6.0 842 745 A 9 LEU HBy A 10 ILE HD1% 1.0 1.8 6.0 843 746 A 13 TYR HBy A 9 LEU HBx 1.0 1.8 6.0 844 747 A 9 LEU HBy A 53 TYR HD% 1.0 1.8 5.0 845 748 A 53 TYR HD% A 9 LEU HBx 1.0 1.8 5.0 846 749 A 13 TYR HE% A 9 LEU HBy 1.0 1.8 6.0 847 750 A 9 LEU HD1% A 53 TYR HA 1.0 1.8 5.0 848 751 A 13 TYR HBy A 9 LEU HD1% 1.0 1.8 5.0 849 752 A 12 ARG HBy A 9 LEU HD1% 1.0 1.8 3.5 850 753 A 9 LEU HD1% A 59 LEU HD1% 1.0 1.8 5.0 851 754 A 9 LEU HD1% A 53 TYR HE% 1.0 1.8 5.0 852 755 A 13 TYR HD% A 9 LEU HD1% 1.0 1.8 5.0 853 756 A 53 TYR HD% A 9 LEU HD1% 1.0 1.8 5.0 854 757 A 9 LEU H A 9 LEU HD1% 1.0 1.8 5.0 855 758 A 6 ALA HA A 9 LEU HD2% 1.0 1.8 5.0 856 759 A 9 LEU HD2% A 8 HIS HBx 1.0 1.8 5.0 857 759 A 8 HIS HBy A 9 LEU HD2% 1.0 1.8 5.0 858 760 A 9 LEU HD2% A 12 ARG HDx 1.0 1.8 6.0 859 761 A 5 ALA HB% A 9 LEU HD2% 1.0 1.8 5.0 860 762 A 12 ARG HGy A 9 LEU HD2% 1.0 1.8 6.0 861 763 A 9 LEU HD2% A 59 LEU HD1% 1.0 1.8 5.0 862 764 A 13 TYR HE% A 9 LEU HD2% 1.0 1.8 5.0 863 765 A 9 LEU HD2% A 53 TYR HE% 1.0 1.8 5.0 864 766 A 53 TYR HD% A 9 LEU HD2% 1.0 1.8 5.0 865 767 A 9 LEU H A 9 LEU HD2% 1.0 1.8 5.0 866 768 A 12 ARG H A 9 LEU HD2% 1.0 1.8 6.0 867 769 A 52 LEU HA A 51 GLU HBx 1.0 1.8 5.0 868 769 A 52 LEU HA A 51 GLU HBy 1.0 1.8 5.0 869 770 A 52 LEU HA A 55 ILE H 1.0 1.8 5.0 870 771 A 54 LYS H A 52 LEU HA 1.0 1.8 5.0 871 772 A 49 ALA HA A 52 LEU HBx 1.0 1.8 6.0 872 773 A 52 LEU HBx A 48 LYS HGx 1.0 1.8 6.0 873 773 A 48 LYS HGy A 52 LEU HBx 1.0 1.8 6.0 874 774 A 13 TYR HD% A 52 LEU HBx 1.0 1.8 6.0 875 775 A 13 TYR HE% A 52 LEU HBx 1.0 1.8 6.0 876 776 A 13 TYR HD% A 52 LEU HBy 1.0 1.8 5.0 877 777 A 13 TYR HBy A 52 LEU HBy 1.0 1.8 6.0 878 778 A 52 LEU HD1% A 30 PHE HBx 1.0 1.8 5.0 879 779 A 52 LEU HD1% A 13 TYR HA 1.0 1.8 6.0 880 780 A 52 LEU HD1% A 48 LYS HA 1.0 1.8 6.0 881 781 A 13 TYR HBx A 52 LEU HD1% 1.0 1.8 5.0 882 782 A 52 LEU HD1% A 30 PHE HBy 1.0 1.8 5.0 883 783 A 52 LEU HD1% A 17 LEU HG 1.0 1.8 5.0 884 784 A 52 LEU HD1% A 48 LYS HGx 1.0 1.8 5.0 885 784 A 48 LYS HGy A 52 LEU HD1% 1.0 1.8 5.0 886 785 A 13 TYR HE% A 52 LEU HD1% 1.0 1.8 5.0 887 786 A 13 TYR HD% A 52 LEU HD1% 1.0 1.8 5.0 888 787 A 52 LEU HD1% A 30 PHE HD% 1.0 1.8 5.0 889 788 A 52 LEU H A 52 LEU HD1% 1.0 1.8 5.0 890 789 A 49 ALA H A 52 LEU HD1% 1.0 1.8 5.0 891 790 A 52 LEU HD2% A 48 LYS HA 1.0 1.8 5.0 892 791 A 52 LEU HD2% A 57 ALA HA 1.0 1.8 6.0 893 792 A 52 LEU HD2% A 30 PHE HBx 1.0 1.8 5.0 894 793 A 52 LEU HD2% A 30 PHE HBy 1.0 1.8 5.0 895 794 A 52 LEU HD2% A 51 GLU HBx 1.0 1.8 5.0 896 794 A 52 LEU HD2% A 51 GLU HBy 1.0 1.8 5.0 897 795 A 52 LEU HD2% A 48 LYS HGx 1.0 1.8 3.5 898 795 A 48 LYS HGy A 52 LEU HD2% 1.0 1.8 3.5 899 796 A 52 LEU HD2% A 30 PHE HD% 1.0 1.8 5.0 900 797 A 52 LEU H A 52 LEU HD2% 1.0 1.8 5.0 901 798 A 52 LEU HG A 48 LYS HBx 1.0 1.8 5.0 902 799 A 52 LEU HG A 48 LYS HGx 1.0 1.8 3.5 903 799 A 52 LEU HG A 48 LYS HGy 1.0 1.8 3.5 904 800 A 4 ALA HA A 7 LYS HBx 1.0 1.8 5.0 905 800 A 7 LYS HBy A 4 ALA HA 1.0 1.8 5.0 906 801 A 28 ASN H A 34 CYS HBx 1.0 1.8 5.0 907 801 A 28 ASN H A 34 CYS HBy 1.0 1.8 5.0 908 802 A 33 SER H A 34 CYS HBx 1.0 1.8 6.0 909 802 A 33 SER H A 34 CYS HBy 1.0 1.8 6.0 910 803 A 31 CYS HBx A 34 CYS HBx 1.0 1.8 5.0 911 803 A 34 CYS HBy A 31 CYS HBx 1.0 1.8 5.0 912 804 A 26 CYS HBx A 34 CYS HBx 1.0 1.8 5.0 913 804 A 26 CYS HBx A 34 CYS HBy 1.0 1.8 5.0 914 805 A 62 PRO HDy A 61 ASP HBx 1.0 1.8 5.0 915 806 A 61 ASP HBx A 62 PRO HDx 1.0 1.8 5.0 916 807 A 37 PHE HBx A 33 SER HA 1.0 1.8 6.0 917 808 A 55 ILE HA A 54 LYS HGx 1.0 1.8 5.0 918 808 A 54 LYS HGy A 55 ILE HA 1.0 1.8 5.0 919 809 A 55 ILE HB A 52 LEU HA 1.0 1.8 5.0 920 810 A 52 LEU HA A 55 ILE HD1% 1.0 1.8 5.0 921 811 A 57 ALA HB% A 55 ILE HD1% 1.0 1.8 3.5 922 812 A 52 LEU HG A 55 ILE HD1% 1.0 1.8 5.0 923 813 A 55 ILE HD1% A 54 LYS HDx 1.0 1.8 6.0 924 813 A 54 LYS HDy A 55 ILE HD1% 1.0 1.8 6.0 925 814 A 52 LEU HD2% A 55 ILE HD1% 1.0 1.8 3.5 926 815 A 55 ILE H A 55 ILE HD1% 1.0 1.8 5.0 927 816 A 57 ALA H A 55 ILE HD1% 1.0 1.8 5.0 928 817 A 54 LYS H A 55 ILE HD1% 1.0 1.8 6.0 929 818 A 55 ILE HD1% A 30 PHE HE% 1.0 1.8 5.0 930 819 A 55 ILE HG2% A 52 LEU HA 1.0 1.8 5.0 931 820 A 55 ILE HG2% A 54 LYS HBx 1.0 1.8 5.0 932 820 A 54 LYS HBy A 55 ILE HG2% 1.0 1.8 5.0 933 821 A 55 ILE HG2% A 54 LYS HDx 1.0 1.8 5.0 934 821 A 55 ILE HG2% A 54 LYS HDy 1.0 1.8 5.0 935 822 A 55 ILE HG2% A 52 LEU HD2% 1.0 1.8 5.0 936 823 A 55 ILE HG2% A 54 LYS HGx 1.0 1.8 3.5 937 823 A 54 LYS HGy A 55 ILE HG2% 1.0 1.8 3.5 938 824 A 55 ILE HG2% A 55 ILE H 1.0 1.8 3.5 939 825 A 63 HIS HA A 64 PRO HDx 1.0 1.8 3.5 940 826 A 61 ASP HA A 62 PRO HDx 1.0 1.8 3.5 941 827 A 63 HIS HA A 64 PRO HDy 1.0 1.8 3.5 942 828 A 44 ALA HB% A 41 ASP HBx 1.0 1.8 5.0 943 829 A 52 LEU HD2% A 30 PHE HE% 1.0 1.8 5.0 944 830 A 27 THR HG2% A 27 THR HA 1.0 1.8 3.5 945 831 A 28 ASN H A 27 THR HB 1.0 1.8 5.0 946 832 A 28 ASN H A 27 THR HG2% 1.0 1.8 5.0 947 833 A 58 LYS HBx A 58 LYS HEx 1.0 1.8 5.0 948 833 A 58 LYS HEy A 58 LYS HBx 1.0 1.8 5.0 949 833 A 58 LYS HBy A 58 LYS HEy 1.0 1.8 5.0 950 833 A 58 LYS HBy A 58 LYS HEx 1.0 1.8 5.0 951 834 A 58 LYS HA A 58 LYS HDx 1.0 1.8 5.0 952 834 A 58 LYS HA A 58 LYS HDy 1.0 1.8 5.0 953 835 A 58 LYS HBx A 58 LYS HDx 1.0 1.8 5.0 954 835 A 58 LYS HBy A 58 LYS HDx 1.0 1.8 5.0 955 835 A 58 LYS HDy A 58 LYS HBx 1.0 1.8 5.0 956 835 A 58 LYS HBy A 58 LYS HDy 1.0 1.8 5.0 957 836 A 58 LYS HGy A 58 LYS HDx 1.0 1.8 3.5 958 836 A 58 LYS HGy A 58 LYS HDy 1.0 1.8 3.5 959 837 A 29 GLU HA A 34 CYS HBx 1.0 1.8 5.0 960 837 A 29 GLU HA A 34 CYS HBy 1.0 1.8 5.0 961 838 A 29 GLU HA A 29 GLU HGx 1.0 1.8 5.0 962 839 A 58 LYS HGx A 58 LYS HEx 1.0 1.8 5.0 963 839 A 58 LYS HGx A 58 LYS HEy 1.0 1.8 5.0 964 840 A 58 LYS HGy A 58 LYS HA 1.0 1.8 5.0 965 841 A 58 LYS HGy A 58 LYS HEx 1.0 1.8 5.0 966 841 A 58 LYS HGy A 58 LYS HEy 1.0 1.8 5.0 967 842 A 59 LEU H A 58 LYS HA 1.0 1.8 3.5 968 843 A 28 ASN HD2y A 58 LYS HBx 1.0 1.8 5.0 969 843 A 28 ASN HD2y A 58 LYS HBy 1.0 1.8 5.0 970 844 A 28 ASN HD2y A 58 LYS HEx 1.0 1.8 6.0 971 844 A 28 ASN HD2y A 58 LYS HEy 1.0 1.8 6.0 972 845 A 59 LEU H A 58 LYS HEx 1.0 1.8 6.0 973 845 A 59 LEU H A 58 LYS HEy 1.0 1.8 6.0 974 846 A 59 LEU H A 58 LYS HGx 1.0 1.8 6.0 975 847 A 59 LEU H A 58 LYS HGy 1.0 1.8 5.0 976 848 A 31 CYS HBy A 32 ALA H 1.0 1.8 5.0 977 849 A 37 PHE HBy A 36 THR H 1.0 1.8 6.0 978 850 A 36 THR HG2% A 36 THR HA 1.0 1.8 3.5 979 851 A 38 LEU HA A 38 LEU HD1% 1.0 1.8 5.0 980 852 A 38 LEU HA A 38 LEU HD2% 1.0 1.8 5.0 981 853 A 38 LEU HG A 38 LEU HA 1.0 1.8 5.0 982 854 A 38 LEU HBx A 38 LEU HD1% 1.0 1.8 3.5 983 855 A 38 LEU HBx A 38 LEU HD2% 1.0 1.8 3.5 984 856 A 38 LEU HBy A 38 LEU HD1% 1.0 1.8 3.5 985 857 A 38 LEU HD2% A 38 LEU HBy 1.0 1.8 3.5 986 858 A 39 ARG H A 38 LEU HD2% 1.0 1.8 5.0 987 859 A 18 THR HG2% A 18 THR HA 1.0 1.8 3.5 988 860 A 19 GLU H A 18 THR HG2% 1.0 1.8 5.0 989 861 A 39 ARG HA A 39 ARG HDx 1.0 1.8 5.0 990 861 A 39 ARG HA A 39 ARG HDy 1.0 1.8 5.0 991 862 A 39 ARG HA A 39 ARG HBx 1.0 1.8 3.5 992 862 A 39 ARG HBy A 39 ARG HA 1.0 1.8 3.5 993 863 A 39 ARG HA A 39 ARG HGx 1.0 1.8 5.0 994 863 A 39 ARG HGy A 39 ARG HA 1.0 1.8 5.0 995 864 A 39 ARG HBx A 39 ARG HGx 1.0 1.8 2.7 996 864 A 39 ARG HBy A 39 ARG HGx 1.0 1.8 2.7 997 864 A 39 ARG HGy A 39 ARG HBx 1.0 1.8 2.7 998 864 A 39 ARG HBy A 39 ARG HGy 1.0 1.8 2.7 999 865 A 40 MET H A 39 ARG HDx 1.0 1.8 5.0 1000 865 A 40 MET H A 39 ARG HDy 1.0 1.8 5.0 1001 866 A 40 MET HA A 40 MET HGx 1.0 1.8 5.0 1002 867 A 40 MET HA A 40 MET HGy 1.0 1.8 5.0 1003 868 A 12 ARG HA A 12 ARG HDy 1.0 1.8 5.0 1004 869 A 12 ARG HA A 12 ARG HDx 1.0 1.8 5.0 1005 870 A 13 TYR HBy A 12 ARG HBy 1.0 1.8 6.0 1006 871 A 12 ARG HA A 12 ARG HGy 1.0 1.8 5.0 1007 872 A 12 ARG HA A 12 ARG HGx 1.0 1.8 5.0 1008 873 A 2 LYS HEy A 2 LYS HBx 1.0 1.8 5.0 1009 873 A 2 LYS HBx A 2 LYS HEx 1.0 1.8 5.0 1010 874 A 13 TYR H A 12 ARG HGy 1.0 1.8 6.0 1011 875 A 13 TYR H A 12 ARG HGx 1.0 1.8 6.0 1012 876 A 48 LYS HA A 48 LYS HDx 1.0 1.8 5.0 1013 877 A 54 LYS HBx A 54 LYS HEx 1.0 1.8 5.0 1014 877 A 54 LYS HBy A 54 LYS HEx 1.0 1.8 5.0 1015 877 A 54 LYS HEy A 54 LYS HBx 1.0 1.8 5.0 1016 877 A 54 LYS HBy A 54 LYS HEy 1.0 1.8 5.0 1017 878 A 48 LYS HBy A 48 LYS HDx 1.0 1.8 5.0 1018 879 A 48 LYS HBy A 48 LYS HDy 1.0 1.8 5.0 1019 880 A 48 LYS HBy A 48 LYS HEx 1.0 1.8 6.0 1020 881 A 48 LYS HA A 48 LYS HDy 1.0 1.8 5.0 1021 882 A 48 LYS HA A 48 LYS HEx 1.0 1.8 5.0 1022 883 A 48 LYS HA A 48 LYS HEy 1.0 1.8 5.0 1023 884 A 48 LYS HBy A 48 LYS HEy 1.0 1.8 6.0 1024 885 A 48 LYS HA A 48 LYS HGx 1.0 1.8 5.0 1025 885 A 48 LYS HGy A 48 LYS HA 1.0 1.8 5.0 1026 886 A 48 LYS HGy A 48 LYS HEx 1.0 1.8 5.0 1027 886 A 48 LYS HEx A 48 LYS HGx 1.0 1.8 5.0 1028 887 A 48 LYS HGy A 48 LYS HEy 1.0 1.8 5.0 1029 887 A 48 LYS HEy A 48 LYS HGx 1.0 1.8 5.0 1030 888 A 49 ALA H A 48 LYS HDx 1.0 1.8 6.0 1031 889 A 49 ALA H A 48 LYS HDy 1.0 1.8 6.0 1032 890 A 49 ALA H A 48 LYS HGx 1.0 1.8 5.0 1033 890 A 49 ALA H A 48 LYS HGy 1.0 1.8 5.0 1034 891 A 44 ALA HB% A 45 ALA H 1.0 1.8 3.5 1035 892 A 29 GLU H A 28 ASN HBy 1.0 1.8 5.0 1036 893 A 59 LEU HA A 59 LEU HD2% 1.0 1.8 5.0 1037 894 A 59 LEU HBx A 59 LEU HD1% 1.0 1.8 5.0 1038 895 A 59 LEU HBy A 59 LEU HD1% 1.0 1.8 5.0 1039 896 A 59 LEU HD2% A 59 LEU HBy 1.0 1.8 5.0 1040 897 A 59 LEU HA A 59 LEU HD1% 1.0 1.8 5.0 1041 898 A 59 LEU HD2% A 59 LEU HBx 1.0 1.8 5.0 1042 899 A 60 CYS H A 59 LEU HBx 1.0 1.8 5.0 1043 900 A 13 TYR H A 59 LEU HD1% 1.0 1.8 5.0 1044 901 A 61 ASP H A 59 LEU HG 1.0 1.8 6.0 1045 902 A 24 GLU H A 23 ASN HBy 1.0 1.8 5.0 1046 903 A 33 SER H A 32 ALA HB% 1.0 1.8 5.0 1047 904 A 51 GLU HA A 51 GLU HGy 1.0 1.8 5.0 1048 905 A 51 GLU HGx A 51 GLU HA 1.0 1.8 5.0 1049 906 A 51 GLU HGx A 51 GLU HBx 1.0 1.8 3.5 1050 906 A 51 GLU HGx A 51 GLU HBy 1.0 1.8 3.5 1051 907 A 45 ALA HB% A 46 ALA HA 1.0 1.8 5.0 1052 908 A 11 GLU HBy A 11 GLU HGx 1.0 1.8 3.5 1053 908 A 11 GLU HGy A 11 GLU HBy 1.0 1.8 3.5 1054 909 A 12 ARG H A 11 GLU HGx 1.0 1.8 5.0 1055 909 A 12 ARG H A 11 GLU HGy 1.0 1.8 5.0 1056 910 A 24 GLU HA A 24 GLU HGx 1.0 1.8 3.5 1057 910 A 24 GLU HGy A 24 GLU HA 1.0 1.8 3.5 1058 911 A 8 HIS H A 5 ALA HA 1.0 1.8 6.0 1059 912 A 50 LEU HD1% A 50 LEU HA 1.0 1.8 3.5 1060 913 A 50 LEU HD2% A 50 LEU HA 1.0 1.8 3.5 1061 914 A 50 LEU HA A 50 LEU HG 1.0 1.8 5.0 1062 915 A 50 LEU HBx A 50 LEU HD1% 1.0 1.8 3.5 1063 916 A 50 LEU HBy A 50 LEU HD2% 1.0 1.8 3.5 1064 917 A 50 LEU HBy A 50 LEU HG 1.0 1.8 2.7 1065 918 A 50 LEU HBx A 50 LEU HG 1.0 1.8 3.5 1066 919 A 50 LEU HD1% A 50 LEU HBy 1.0 1.8 5.0 1067 920 A 50 LEU HBx A 50 LEU HD2% 1.0 1.8 5.0 1068 921 A 51 GLU H A 50 LEU HD1% 1.0 1.8 5.0 1069 922 A 51 GLU H A 50 LEU HD2% 1.0 1.8 5.0 1070 923 A 51 GLU H A 50 LEU HG 1.0 1.8 6.0 1071 924 A 10 ILE HA A 10 ILE HD1% 1.0 1.8 5.0 1072 925 A 10 ILE HA A 10 ILE HG2% 1.0 1.8 3.5 1073 926 A 10 ILE HB A 10 ILE HD1% 1.0 1.8 3.5 1074 927 A 10 ILE HG2% A 10 ILE HD1% 1.0 1.8 3.5 1075 928 A 10 ILE HA A 10 ILE HG1x 1.0 1.8 5.0 1076 929 A 10 ILE HG2% A 10 ILE HG1x 1.0 1.8 3.5 1077 930 A 10 ILE HG1y A 10 ILE HA 1.0 1.8 5.0 1078 931 A 10 ILE HG1y A 10 ILE HG2% 1.0 1.8 5.0 1079 932 A 8 HIS H A 10 ILE HD1% 1.0 1.8 6.0 1080 933 A 11 GLU H A 10 ILE HD1% 1.0 1.8 6.0 1081 934 A 11 GLU H A 10 ILE HG2% 1.0 1.8 5.0 1082 935 A 29 GLU HA A 29 GLU HGy 1.0 1.8 5.0 1083 936 A 10 ILE HG1y A 50 LEU HA 1.0 1.8 5.0 1084 937 A 53 TYR H A 50 LEU HA 1.0 1.8 5.0 1085 938 A 54 LYS HBx A 54 LYS HDx 1.0 1.8 3.5 1086 938 A 54 LYS HBy A 54 LYS HDx 1.0 1.8 3.5 1087 938 A 54 LYS HDy A 54 LYS HBx 1.0 1.8 3.5 1088 938 A 54 LYS HBy A 54 LYS HDy 1.0 1.8 3.5 1089 939 A 54 LYS HDx A 54 LYS HGx 1.0 1.8 2.7 1090 939 A 54 LYS HDy A 54 LYS HGx 1.0 1.8 2.7 1091 939 A 54 LYS HGy A 54 LYS HDx 1.0 1.8 2.7 1092 939 A 54 LYS HGy A 54 LYS HDy 1.0 1.8 2.7 1093 940 A 54 LYS HA A 54 LYS HGx 1.0 1.8 5.0 1094 940 A 54 LYS HGy A 54 LYS HA 1.0 1.8 5.0 1095 941 A 30 PHE HD% A 58 LYS HBx 1.0 1.8 5.0 1096 941 A 58 LYS HBy A 30 PHE HD% 1.0 1.8 5.0 1097 942 A 55 ILE H A 54 LYS HGx 1.0 1.8 5.0 1098 942 A 54 LYS HGy A 55 ILE H 1.0 1.8 5.0 1099 943 A 36 THR H A 35 PRO HGx 1.0 1.8 5.0 1100 944 A 17 LEU HA A 17 LEU HD2% 1.0 1.8 5.0 1101 945 A 17 LEU HBx A 17 LEU HD1% 1.0 1.8 3.5 1102 946 A 17 LEU HD2% A 17 LEU HBx 1.0 1.8 3.5 1103 947 A 17 LEU HBy A 17 LEU HD1% 1.0 1.8 3.5 1104 948 A 17 LEU HD2% A 17 LEU HBy 1.0 1.8 3.5 1105 949 A 17 LEU HA A 17 LEU HD1% 1.0 1.8 5.0 1106 950 A 17 LEU HA A 17 LEU HG 1.0 1.8 5.0 1107 951 A 18 THR H A 17 LEU HD1% 1.0 1.8 6.0 1108 952 A 47 ILE HA A 47 ILE HD1% 1.0 1.8 5.0 1109 953 A 47 ILE HG2% A 47 ILE HA 1.0 1.8 3.5 1110 954 A 47 ILE HB A 47 ILE HD1% 1.0 1.8 3.5 1111 955 A 47 ILE HG1y A 47 ILE HA 1.0 1.8 5.0 1112 956 A 47 ILE HG2% A 47 ILE HG1y 1.0 1.8 3.5 1113 957 A 47 ILE HA A 47 ILE HG1x 1.0 1.8 5.0 1114 958 A 47 ILE HG2% A 47 ILE HG1x 1.0 1.8 3.5 1115 959 A 47 ILE HG2% A 47 ILE HD1% 1.0 1.8 2.7 1116 960 A 48 LYS H A 47 ILE HD1% 1.0 1.8 5.0 1117 961 A 48 LYS H A 47 ILE HG1y 1.0 1.8 6.0 1118 962 A 47 ILE H A 46 ALA HB% 1.0 1.8 3.5 1119 963 A 7 LYS HA A 7 LYS HEx 1.0 1.8 5.0 1120 963 A 7 LYS HA A 7 LYS HEy 1.0 1.8 5.0 1121 964 A 7 LYS HA A 7 LYS HDx 1.0 1.8 5.0 1122 964 A 7 LYS HA A 7 LYS HDy 1.0 1.8 5.0 1123 965 A 7 LYS HBy A 7 LYS HDx 1.0 1.8 5.0 1124 965 A 7 LYS HBx A 7 LYS HDx 1.0 1.8 5.0 1125 965 A 7 LYS HDy A 7 LYS HBx 1.0 1.8 5.0 1126 965 A 7 LYS HBy A 7 LYS HDy 1.0 1.8 5.0 1127 966 A 7 LYS HDx A 7 LYS HEx 1.0 1.8 3.5 1128 966 A 7 LYS HDy A 7 LYS HEx 1.0 1.8 3.5 1129 966 A 7 LYS HEy A 7 LYS HDx 1.0 1.8 3.5 1130 966 A 7 LYS HEy A 7 LYS HDy 1.0 1.8 3.5 1131 967 A 7 LYS HBx A 7 LYS HEx 1.0 1.8 5.0 1132 967 A 7 LYS HBy A 7 LYS HEx 1.0 1.8 5.0 1133 967 A 7 LYS HEy A 7 LYS HBx 1.0 1.8 5.0 1134 967 A 7 LYS HBy A 7 LYS HEy 1.0 1.8 5.0 1135 968 A 7 LYS HEx A 7 LYS HGx 1.0 1.8 5.0 1136 968 A 7 LYS HEy A 7 LYS HGx 1.0 1.8 5.0 1137 969 A 6 ALA HB% A 7 LYS HA 1.0 1.8 5.0 1138 970 A 7 LYS HEy A 7 LYS HGy 1.0 1.8 5.0 1139 970 A 7 LYS HGy A 7 LYS HEx 1.0 1.8 5.0 1140 971 A 11 GLU H A 7 LYS HA 1.0 1.8 6.0 1141 972 A 2 LYS HA A 2 LYS HDx 1.0 1.8 5.0 1142 972 A 2 LYS HA A 2 LYS HDy 1.0 1.8 5.0 1143 973 A 2 LYS HEy A 2 LYS HBy 1.0 1.8 5.0 1144 973 A 2 LYS HBy A 2 LYS HEx 1.0 1.8 5.0 1145 974 A 2 LYS HA A 2 LYS HEx 1.0 1.8 5.0 1146 974 A 2 LYS HEy A 2 LYS HA 1.0 1.8 5.0 1147 975 A 2 LYS HDy A 2 LYS HBx 1.0 1.8 3.5 1148 975 A 2 LYS HBx A 2 LYS HDx 1.0 1.8 3.5 1149 976 A 2 LYS HDy A 2 LYS HBy 1.0 1.8 3.5 1150 976 A 2 LYS HBy A 2 LYS HDx 1.0 1.8 3.5 1151 977 A 2 LYS HDx A 2 LYS HEx 1.0 1.8 3.5 1152 977 A 2 LYS HDy A 2 LYS HEx 1.0 1.8 3.5 1153 977 A 2 LYS HEy A 2 LYS HDx 1.0 1.8 3.5 1154 977 A 2 LYS HEy A 2 LYS HDy 1.0 1.8 3.5 1155 978 A 3 ARG H A 2 LYS HDx 1.0 1.8 6.0 1156 978 A 3 ARG H A 2 LYS HDy 1.0 1.8 6.0 1157 979 A 9 LEU HA A 9 LEU HD1% 1.0 1.8 5.0 1158 980 A 9 LEU HA A 9 LEU HD2% 1.0 1.8 3.5 1159 981 A 9 LEU HA A 12 ARG HGx 1.0 1.8 5.0 1160 982 A 9 LEU HBy A 9 LEU HD1% 1.0 1.8 3.5 1161 983 A 9 LEU HBy A 9 LEU HD2% 1.0 1.8 3.5 1162 984 A 9 LEU HBx A 9 LEU HD1% 1.0 1.8 3.5 1163 985 A 9 LEU HBx A 9 LEU HD2% 1.0 1.8 3.5 1164 986 A 13 TYR H A 9 LEU HA 1.0 1.8 6.0 1165 987 A 10 ILE H A 9 LEU HD1% 1.0 1.8 6.0 1166 988 A 13 TYR H A 9 LEU HD1% 1.0 1.8 6.0 1167 989 A 10 ILE H A 9 LEU HD2% 1.0 1.8 5.0 1168 990 A 52 LEU HD1% A 52 LEU HA 1.0 1.8 5.0 1169 991 A 52 LEU HD2% A 52 LEU HA 1.0 1.8 3.5 1170 992 A 52 LEU HD1% A 52 LEU HBx 1.0 1.8 5.0 1171 993 A 52 LEU HD2% A 52 LEU HBx 1.0 1.8 5.0 1172 994 A 52 LEU HBy A 52 LEU HD1% 1.0 1.8 3.5 1173 995 A 57 ALA HB% A 52 LEU HD2% 1.0 1.8 3.5 1174 996 A 30 PHE H A 52 LEU HD1% 1.0 1.8 6.0 1175 997 A 52 LEU HD1% A 53 TYR H 1.0 1.8 6.0 1176 998 A 30 PHE H A 52 LEU HD2% 1.0 1.8 6.0 1177 999 A 19 GLU HA A 19 GLU HGx 1.0 1.8 5.0 1178 999 A 19 GLU HGy A 19 GLU HA 1.0 1.8 5.0 1179 1000 A 55 ILE HD1% A 55 ILE HA 1.0 1.8 5.0 1180 1001 A 55 ILE HG2% A 55 ILE HA 1.0 1.8 3.5 1181 1002 A 55 ILE HD1% A 51 GLU HBx 1.0 1.8 3.5 1182 1002 A 51 GLU HBy A 55 ILE HD1% 1.0 1.8 3.5 1183 1003 A 32 ALA HB% A 33 SER HA 1.0 1.8 5.0 1184 1004 A 55 ILE HB A 55 ILE HD1% 1.0 1.8 3.5 1185 1005 A 55 ILE HG2% A 55 ILE HD1% 1.0 1.8 2.7 1186 1006 A 13 TYR H A 12 ARG HBx 1.0 1.8 5.0 1187 1007 A 9 LEU HA A 12 ARG HBx 1.0 1.8 5.0 1188 1008 A 59 LEU HG A 12 ARG HBx 1.0 1.8 6.0 1189 1009 A 12 ARG HBx A 9 LEU HD1% 1.0 1.8 6.0 1190 1010 A 9 LEU HD2% A 12 ARG HBx 1.0 1.8 5.0 1191 1011 A 6 ALA HB% A 5 ALA HB% 1.0 1.8 5.0 1192 1012 A 5 ALA HB% A 6 ALA HA 1.0 1.8 5.0 1193 1013 A 10 ILE HA A 50 LEU HD2% 1.0 1.8 5.0 1194 1014 A 49 ALA HA A 50 LEU HD2% 1.0 1.8 6.0 1195 1015 A 50 LEU HD1% A 10 ILE HG1x 1.0 1.8 6.0 1196 1016 A 10 ILE HG2% A 50 LEU HG 1.0 1.8 6.0 1197 1017 A 18 THR HG2% A 14 TYR HA 1.0 1.8 5.0 1198 1018 A 15 HIS HA A 18 THR HG2% 1.0 1.8 5.0 1199 1019 A 16 GLN HA A 20 GLY HAx 1.0 1.8 5.0 1200 1020 A 23 ASN H A 33 SER HBx 1.0 1.8 6.0 1201 1020 A 23 ASN H A 33 SER HBy 1.0 1.8 6.0 1202 1021 A 52 LEU HD1% A 30 PHE HA 1.0 1.8 5.0 1203 1022 A 57 ALA HB% A 30 PHE HBy 1.0 1.8 5.0 1204 1023 A 57 ALA HB% A 30 PHE HBx 1.0 1.8 5.0 1205 1024 A 30 PHE HE% A 29 GLU HGx 1.0 1.8 6.0 1206 1025 A 30 PHE HE% A 29 GLU HGy 1.0 1.8 6.0 1207 1026 A 57 ALA HB% A 30 PHE HE% 1.0 1.8 5.0 1208 1027 A 37 PHE HBy A 34 CYS HBx 1.0 1.8 5.0 1209 1027 A 37 PHE HBy A 34 CYS HBy 1.0 1.8 5.0 1210 1028 A 37 PHE HBx A 34 CYS HBx 1.0 1.8 5.0 1211 1028 A 37 PHE HBx A 34 CYS HBy 1.0 1.8 5.0 1212 1029 A 37 PHE HA A 34 CYS HBx 1.0 1.8 6.0 1213 1029 A 34 CYS HBy A 37 PHE HA 1.0 1.8 6.0 1214 1030 A 44 ALA HB% A 45 ALA HA 1.0 1.8 5.0 1215 1031 A 44 ALA HB% A 45 ALA HB% 1.0 1.8 5.0 1216 1032 A 49 ALA HB% A 46 ALA HB% 1.0 1.8 5.0 1217 1033 A 49 ALA HB% A 50 LEU HD2% 1.0 1.8 3.5 1218 1034 A 52 LEU HG A 51 GLU HBx 1.0 1.8 5.0 1219 1034 A 52 LEU HG A 51 GLU HBy 1.0 1.8 5.0 1220 1035 A 52 LEU HBx A 55 ILE HD1% 1.0 1.8 5.0 1221 1036 A 51 GLU HGx A 54 LYS HEx 1.0 1.8 6.0 1222 1036 A 51 GLU HGx A 54 LYS HEy 1.0 1.8 6.0 1223 1037 A 13 TYR HE% A 60 CYS H 1.0 1.8 6.0 1224 1038 A 13 TYR HE% A 53 TYR HBx 1.0 1.8 5.0 1225 1039 A 13 TYR HE% A 52 LEU HG 1.0 1.8 6.0 1226 1040 A 13 TYR HE% A 9 LEU HD1% 1.0 1.8 5.0 1227 1041 A 10 ILE H A 53 TYR HD% 1.0 1.8 5.0 1228 1042 A 13 TYR HE% A 53 TYR HD% 1.0 1.8 3.5 1229 1043 A 53 TYR HD% A 53 TYR H 1.0 1.8 5.0 1230 1044 A 10 ILE HA A 53 TYR HD% 1.0 1.8 5.0 1231 1045 A 46 ALA H A 14 TYR HE% 1.0 1.8 5.0 1232 1046 A 15 HIS H A 14 TYR HE% 1.0 1.8 6.0 1233 1047 A 45 ALA H A 14 TYR HE% 1.0 1.8 6.0 1234 1048 A 46 ALA HA A 14 TYR HE% 1.0 1.8 5.0 1235 1049 A 14 TYR HD% A 15 HIS HBx 1.0 1.8 5.0 1236 1049 A 14 TYR HD% A 15 HIS HBy 1.0 1.8 5.0 1237 1050 A 15 HIS HA A 14 TYR HD% 1.0 1.8 5.0 1238 1051 A 15 HIS HA A 14 TYR HE% 1.0 1.8 5.0 1239 1052 A 14 TYR HE% A 15 HIS HBx 1.0 1.8 6.0 1240 1052 A 15 HIS HBy A 14 TYR HE% 1.0 1.8 6.0 1241 1053 A 49 ALA HB% A 14 TYR HE% 1.0 1.8 6.0 1242 1054 A 30 PHE HD% A 17 LEU HD2% 1.0 1.8 6.0 1243 1055 A 30 PHE HD% A 58 LYS HGx 1.0 1.8 6.0 1244 1056 A 29 GLU H A 30 PHE HD% 1.0 1.8 5.0 1245 1057 A 53 TYR HD% A 53 TYR HA 1.0 1.8 3.5 1246 1058 A 53 TYR HD% A 10 ILE HG1x 1.0 1.8 5.0 1247 1059 A 9 LEU HBx A 53 TYR HE% 1.0 1.8 5.0 1248 1060 A 9 LEU HBy A 53 TYR HE% 1.0 1.8 5.0 1249 1061 A 10 ILE HG1y A 53 TYR HE% 1.0 1.8 5.0 1250 1062 A 50 LEU HD1% A 53 TYR HE% 1.0 1.8 5.0 1251 1063 A 6 ALA HA A 53 TYR HE% 1.0 1.8 5.0 1252 1064 A 37 PHE HD% A 32 ALA HA 1.0 1.8 5.0 1253 1065 A 13 TYR HE% A 53 TYR HBy 1.0 1.8 5.0 1254 1066 A 2 LYS HBx A 2 LYS HDx 1.0 1.8 2.7 1255 1066 A 2 LYS HBy A 2 LYS HDx 1.0 1.8 2.7 1256 1066 A 2 LYS HDy A 2 LYS HBx 1.0 1.8 2.7 1257 1066 A 2 LYS HDy A 2 LYS HBy 1.0 1.8 2.7 1258 1067 A 2 LYS HBx A 2 LYS HEx 1.0 1.8 3.5 1259 1067 A 2 LYS HBy A 2 LYS HEx 1.0 1.8 3.5 1260 1067 A 2 LYS HEy A 2 LYS HBx 1.0 1.8 3.5 1261 1067 A 2 LYS HEy A 2 LYS HBy 1.0 1.8 3.5 1262 1068 A 3 ARG H A 2 LYS HBx 1.0 1.8 5.0 1263 1068 A 3 ARG H A 2 LYS HBy 1.0 1.8 5.0 1264 1069 A 8 HIS H A 7 LYS HGx 1.0 1.8 6.0 1265 1069 A 8 HIS H A 7 LYS HGy 1.0 1.8 6.0 1266 1070 A 9 LEU HBy A 59 LEU HD1% 1.0 1.8 6.0 1267 1070 A 9 LEU HBy A 59 LEU HD2% 1.0 1.8 6.0 1268 1071 A 9 LEU HD1% A 53 TYR HBx 1.0 1.8 5.0 1269 1071 A 9 LEU HD1% A 53 TYR HBy 1.0 1.8 5.0 1270 1072 A 9 LEU HD2% A 12 ARG HDx 1.0 1.8 5.0 1271 1072 A 9 LEU HD2% A 12 ARG HDy 1.0 1.8 5.0 1272 1073 A 9 LEU HD2% A 59 LEU HD1% 1.0 1.8 3.5 1273 1073 A 9 LEU HD2% A 59 LEU HD2% 1.0 1.8 3.5 1274 1074 A 10 ILE HA A 53 TYR HBx 1.0 1.8 6.0 1275 1074 A 10 ILE HA A 53 TYR HBy 1.0 1.8 6.0 1276 1075 A 10 ILE HG1y A 53 TYR HBx 1.0 1.8 5.0 1277 1075 A 10 ILE HG1y A 53 TYR HBy 1.0 1.8 5.0 1278 1076 A 10 ILE HD1% A 53 TYR HBx 1.0 1.8 6.0 1279 1076 A 10 ILE HD1% A 53 TYR HBy 1.0 1.8 6.0 1280 1077 A 12 ARG HA A 12 ARG HDx 1.0 1.8 5.0 1281 1077 A 12 ARG HA A 12 ARG HDy 1.0 1.8 5.0 1282 1078 A 12 ARG HA A 16 GLN HBx 1.0 1.8 6.0 1283 1078 A 12 ARG HA A 16 GLN HBy 1.0 1.8 6.0 1284 1079 A 12 ARG HBy A 12 ARG HDx 1.0 1.8 3.5 1285 1079 A 12 ARG HBy A 12 ARG HDy 1.0 1.8 3.5 1286 1080 A 12 ARG HBy A 59 LEU HD1% 1.0 1.8 3.5 1287 1080 A 12 ARG HBy A 59 LEU HD2% 1.0 1.8 3.5 1288 1081 A 12 ARG HBx A 59 LEU HD1% 1.0 1.8 5.0 1289 1081 A 12 ARG HBx A 59 LEU HD2% 1.0 1.8 5.0 1290 1082 A 12 ARG HGx A 59 LEU HD1% 1.0 1.8 5.0 1291 1082 A 12 ARG HGx A 59 LEU HD2% 1.0 1.8 5.0 1292 1083 A 12 ARG HDx A 59 LEU HD1% 1.0 1.8 5.0 1293 1083 A 12 ARG HDy A 59 LEU HD1% 1.0 1.8 5.0 1294 1083 A 59 LEU HD2% A 12 ARG HDx 1.0 1.8 5.0 1295 1083 A 59 LEU HD2% A 12 ARG HDy 1.0 1.8 5.0 1296 1084 A 13 TYR H A 59 LEU HD1% 1.0 1.8 5.0 1297 1084 A 13 TYR H A 59 LEU HD2% 1.0 1.8 5.0 1298 1085 A 13 TYR HA A 16 GLN HBx 1.0 1.8 5.0 1299 1085 A 13 TYR HA A 16 GLN HBy 1.0 1.8 5.0 1300 1086 A 16 GLN HE2y A 13 TYR HA 1.0 1.8 5.0 1301 1086 A 16 GLN HE2x A 13 TYR HA 1.0 1.8 5.0 1302 1087 A 13 TYR HA A 17 LEU HD1% 1.0 1.8 5.0 1303 1087 A 13 TYR HA A 17 LEU HD2% 1.0 1.8 5.0 1304 1088 A 13 TYR HA A 59 LEU HD1% 1.0 1.8 3.5 1305 1088 A 13 TYR HA A 59 LEU HD2% 1.0 1.8 3.5 1306 1089 A 13 TYR HBy A 17 LEU HD1% 1.0 1.8 5.0 1307 1089 A 13 TYR HBy A 17 LEU HD2% 1.0 1.8 5.0 1308 1090 A 13 TYR HD% A 16 GLN HE2y 1.0 1.8 5.0 1309 1090 A 13 TYR HD% A 16 GLN HE2x 1.0 1.8 5.0 1310 1091 A 13 TYR HD% A 17 LEU HD1% 1.0 1.8 5.0 1311 1091 A 13 TYR HD% A 17 LEU HD2% 1.0 1.8 5.0 1312 1092 A 13 TYR HD% A 53 TYR HBx 1.0 1.8 5.0 1313 1092 A 13 TYR HD% A 53 TYR HBy 1.0 1.8 5.0 1314 1093 A 13 TYR HD% A 59 LEU HD1% 1.0 1.8 5.0 1315 1093 A 13 TYR HD% A 59 LEU HD2% 1.0 1.8 5.0 1316 1094 A 13 TYR HE% A 16 GLN HE2y 1.0 1.8 5.0 1317 1094 A 13 TYR HE% A 16 GLN HE2x 1.0 1.8 5.0 1318 1095 A 13 TYR HE% A 17 LEU HD1% 1.0 1.8 6.0 1319 1095 A 13 TYR HE% A 17 LEU HD2% 1.0 1.8 6.0 1320 1096 A 13 TYR HE% A 53 TYR HBx 1.0 1.8 5.0 1321 1096 A 13 TYR HE% A 53 TYR HBy 1.0 1.8 5.0 1322 1097 A 13 TYR HE% A 59 LEU HBy 1.0 1.8 6.0 1323 1097 A 13 TYR HE% A 59 LEU HBx 1.0 1.8 6.0 1324 1098 A 14 TYR H A 17 LEU HD1% 1.0 1.8 5.0 1325 1098 A 14 TYR H A 17 LEU HD2% 1.0 1.8 5.0 1326 1099 A 14 TYR HA A 17 LEU HBy 1.0 1.8 5.0 1327 1099 A 14 TYR HA A 17 LEU HBx 1.0 1.8 5.0 1328 1100 A 14 TYR HA A 17 LEU HD1% 1.0 1.8 5.0 1329 1100 A 14 TYR HA A 17 LEU HD2% 1.0 1.8 5.0 1330 1101 A 14 TYR HBy A 17 LEU HD1% 1.0 1.8 6.0 1331 1101 A 14 TYR HBy A 17 LEU HD2% 1.0 1.8 6.0 1332 1102 A 16 GLN H A 16 GLN HGx 1.0 1.8 5.0 1333 1102 A 16 GLN H A 16 GLN HGy 1.0 1.8 5.0 1334 1103 A 16 GLN H A 17 LEU HD1% 1.0 1.8 5.0 1335 1103 A 16 GLN H A 17 LEU HD2% 1.0 1.8 5.0 1336 1104 A 16 GLN HA A 20 GLY HAx 1.0 1.8 5.0 1337 1104 A 16 GLN HA A 20 GLY HAy 1.0 1.8 5.0 1338 1105 A 17 LEU H A 16 GLN HBx 1.0 1.8 5.0 1339 1105 A 17 LEU H A 16 GLN HBy 1.0 1.8 5.0 1340 1106 A 32 ALA H A 16 GLN HBx 1.0 1.8 6.0 1341 1106 A 32 ALA H A 16 GLN HBy 1.0 1.8 6.0 1342 1107 A 16 GLN HBy A 59 LEU HD1% 1.0 1.8 5.0 1343 1107 A 16 GLN HBx A 59 LEU HD1% 1.0 1.8 5.0 1344 1107 A 59 LEU HD2% A 16 GLN HBx 1.0 1.8 5.0 1345 1107 A 59 LEU HD2% A 16 GLN HBy 1.0 1.8 5.0 1346 1108 A 17 LEU H A 16 GLN HGx 1.0 1.8 5.0 1347 1108 A 17 LEU H A 16 GLN HGy 1.0 1.8 5.0 1348 1109 A 16 GLN HGx A 17 LEU HD1% 1.0 1.8 5.0 1349 1109 A 16 GLN HGy A 17 LEU HD1% 1.0 1.8 5.0 1350 1109 A 17 LEU HD2% A 16 GLN HGx 1.0 1.8 5.0 1351 1109 A 17 LEU HD2% A 16 GLN HGy 1.0 1.8 5.0 1352 1110 A 20 GLY H A 16 GLN HGx 1.0 1.8 6.0 1353 1110 A 20 GLY H A 16 GLN HGy 1.0 1.8 6.0 1354 1111 A 21 CYS H A 16 GLN HGx 1.0 1.8 6.0 1355 1111 A 21 CYS H A 16 GLN HGy 1.0 1.8 6.0 1356 1112 A 31 CYS HA A 16 GLN HGx 1.0 1.8 5.0 1357 1112 A 31 CYS HA A 16 GLN HGy 1.0 1.8 5.0 1358 1113 A 31 CYS HBy A 16 GLN HGx 1.0 1.8 6.0 1359 1113 A 31 CYS HBy A 16 GLN HGy 1.0 1.8 6.0 1360 1114 A 31 CYS HBx A 16 GLN HGx 1.0 1.8 5.0 1361 1114 A 31 CYS HBx A 16 GLN HGy 1.0 1.8 5.0 1362 1115 A 32 ALA H A 16 GLN HGx 1.0 1.8 5.0 1363 1115 A 32 ALA H A 16 GLN HGy 1.0 1.8 5.0 1364 1116 A 16 GLN HGx A 59 LEU HD1% 1.0 1.8 6.0 1365 1116 A 16 GLN HGy A 59 LEU HD1% 1.0 1.8 6.0 1366 1116 A 59 LEU HD2% A 16 GLN HGx 1.0 1.8 6.0 1367 1116 A 59 LEU HD2% A 16 GLN HGy 1.0 1.8 6.0 1368 1117 A 60 CYS H A 16 GLN HGx 1.0 1.8 5.0 1369 1117 A 60 CYS H A 16 GLN HGy 1.0 1.8 5.0 1370 1118 A 16 GLN HE2y A 17 LEU HD2% 1.0 1.8 5.0 1371 1118 A 16 GLN HE2y A 17 LEU HD1% 1.0 1.8 5.0 1372 1118 A 16 GLN HE2x A 17 LEU HD2% 1.0 1.8 5.0 1373 1118 A 16 GLN HE2x A 17 LEU HD1% 1.0 1.8 5.0 1374 1119 A 28 ASN HD2y A 16 GLN HE2y 1.0 1.8 5.0 1375 1119 A 28 ASN HD2y A 16 GLN HE2x 1.0 1.8 5.0 1376 1120 A 16 GLN HE2y A 30 PHE HBy 1.0 1.8 5.0 1377 1120 A 16 GLN HE2x A 30 PHE HBy 1.0 1.8 5.0 1378 1121 A 16 GLN HE2y A 30 PHE HBx 1.0 1.8 5.0 1379 1121 A 16 GLN HE2x A 30 PHE HBx 1.0 1.8 5.0 1380 1122 A 32 ALA H A 16 GLN HE2y 1.0 1.8 6.0 1381 1122 A 32 ALA H A 16 GLN HE2x 1.0 1.8 6.0 1382 1123 A 16 GLN HE2y A 52 LEU HD1% 1.0 1.8 5.0 1383 1123 A 16 GLN HE2x A 52 LEU HD1% 1.0 1.8 5.0 1384 1124 A 59 LEU H A 16 GLN HE2y 1.0 1.8 6.0 1385 1124 A 59 LEU H A 16 GLN HE2x 1.0 1.8 6.0 1386 1125 A 59 LEU HA A 16 GLN HE2y 1.0 1.8 5.0 1387 1125 A 59 LEU HA A 16 GLN HE2x 1.0 1.8 5.0 1388 1126 A 16 GLN HE2y A 59 LEU HD2% 1.0 1.8 5.0 1389 1126 A 16 GLN HE2x A 59 LEU HD1% 1.0 1.8 5.0 1390 1126 A 16 GLN HE2x A 59 LEU HD2% 1.0 1.8 5.0 1391 1126 A 16 GLN HE2y A 59 LEU HD1% 1.0 1.8 5.0 1392 1127 A 60 CYS H A 16 GLN HE2y 1.0 1.8 5.0 1393 1127 A 60 CYS H A 16 GLN HE2x 1.0 1.8 5.0 1394 1128 A 17 LEU H A 17 LEU HBy 1.0 1.8 3.5 1395 1128 A 17 LEU H A 17 LEU HBx 1.0 1.8 3.5 1396 1129 A 17 LEU H A 17 LEU HD1% 1.0 1.8 5.0 1397 1129 A 17 LEU H A 17 LEU HD2% 1.0 1.8 5.0 1398 1130 A 17 LEU HA A 17 LEU HD1% 1.0 1.8 3.5 1399 1130 A 17 LEU HA A 17 LEU HD2% 1.0 1.8 3.5 1400 1131 A 17 LEU HBy A 17 LEU HD1% 1.0 1.8 2.7 1401 1131 A 17 LEU HBx A 17 LEU HD1% 1.0 1.8 2.7 1402 1131 A 17 LEU HD2% A 17 LEU HBy 1.0 1.8 2.7 1403 1131 A 17 LEU HD2% A 17 LEU HBx 1.0 1.8 2.7 1404 1132 A 18 THR H A 17 LEU HBy 1.0 1.8 5.0 1405 1132 A 18 THR H A 17 LEU HBx 1.0 1.8 5.0 1406 1133 A 18 THR HG2% A 17 LEU HBy 1.0 1.8 5.0 1407 1133 A 18 THR HG2% A 17 LEU HBx 1.0 1.8 5.0 1408 1134 A 32 ALA HB% A 17 LEU HBy 1.0 1.8 6.0 1409 1134 A 32 ALA HB% A 17 LEU HBx 1.0 1.8 6.0 1410 1135 A 45 ALA HB% A 17 LEU HBy 1.0 1.8 3.5 1411 1135 A 45 ALA HB% A 17 LEU HBx 1.0 1.8 3.5 1412 1136 A 18 THR H A 17 LEU HD1% 1.0 1.8 5.0 1413 1136 A 18 THR H A 17 LEU HD2% 1.0 1.8 5.0 1414 1137 A 18 THR HG2% A 17 LEU HD1% 1.0 1.8 5.0 1415 1137 A 18 THR HG2% A 17 LEU HD2% 1.0 1.8 5.0 1416 1138 A 30 PHE HA A 17 LEU HD1% 1.0 1.8 5.0 1417 1138 A 30 PHE HA A 17 LEU HD2% 1.0 1.8 5.0 1418 1139 A 30 PHE HBy A 17 LEU HD1% 1.0 1.8 6.0 1419 1139 A 30 PHE HBy A 17 LEU HD2% 1.0 1.8 6.0 1420 1140 A 30 PHE HBx A 17 LEU HD1% 1.0 1.8 5.0 1421 1140 A 30 PHE HBx A 17 LEU HD2% 1.0 1.8 5.0 1422 1141 A 30 PHE HD% A 17 LEU HD1% 1.0 1.8 5.0 1423 1141 A 30 PHE HD% A 17 LEU HD2% 1.0 1.8 5.0 1424 1142 A 31 CYS H A 17 LEU HD1% 1.0 1.8 5.0 1425 1142 A 31 CYS H A 17 LEU HD2% 1.0 1.8 5.0 1426 1143 A 31 CYS HA A 17 LEU HD1% 1.0 1.8 5.0 1427 1143 A 31 CYS HA A 17 LEU HD2% 1.0 1.8 5.0 1428 1144 A 32 ALA H A 17 LEU HD1% 1.0 1.8 5.0 1429 1144 A 32 ALA H A 17 LEU HD2% 1.0 1.8 5.0 1430 1145 A 32 ALA HB% A 17 LEU HD1% 1.0 1.8 5.0 1431 1145 A 32 ALA HB% A 17 LEU HD2% 1.0 1.8 5.0 1432 1146 A 37 PHE HD% A 17 LEU HD1% 1.0 1.8 5.0 1433 1146 A 37 PHE HD% A 17 LEU HD2% 1.0 1.8 5.0 1434 1147 A 37 PHE HE% A 17 LEU HD1% 1.0 1.8 3.5 1435 1147 A 37 PHE HE% A 17 LEU HD2% 1.0 1.8 3.5 1436 1148 A 45 ALA HA A 17 LEU HD1% 1.0 1.8 5.0 1437 1148 A 45 ALA HA A 17 LEU HD2% 1.0 1.8 5.0 1438 1149 A 45 ALA HB% A 17 LEU HD1% 1.0 1.8 5.0 1439 1149 A 45 ALA HB% A 17 LEU HD2% 1.0 1.8 5.0 1440 1150 A 48 LYS HA A 17 LEU HD1% 1.0 1.8 5.0 1441 1150 A 48 LYS HA A 17 LEU HD2% 1.0 1.8 5.0 1442 1151 A 48 LYS HBy A 17 LEU HD1% 1.0 1.8 5.0 1443 1151 A 48 LYS HBy A 17 LEU HD2% 1.0 1.8 5.0 1444 1152 A 48 LYS HBx A 17 LEU HD1% 1.0 1.8 5.0 1445 1152 A 48 LYS HBx A 17 LEU HD2% 1.0 1.8 5.0 1446 1153 A 17 LEU HD1% A 48 LYS HGx 1.0 1.8 5.0 1447 1153 A 17 LEU HD2% A 48 LYS HGx 1.0 1.8 5.0 1448 1153 A 48 LYS HGy A 17 LEU HD1% 1.0 1.8 5.0 1449 1153 A 48 LYS HGy A 17 LEU HD2% 1.0 1.8 5.0 1450 1154 A 17 LEU HD2% A 48 LYS HEx 1.0 1.8 5.0 1451 1154 A 17 LEU HD1% A 48 LYS HEx 1.0 1.8 5.0 1452 1154 A 48 LYS HEy A 17 LEU HD1% 1.0 1.8 5.0 1453 1154 A 17 LEU HD2% A 48 LYS HEy 1.0 1.8 5.0 1454 1155 A 49 ALA H A 17 LEU HD1% 1.0 1.8 3.5 1455 1155 A 49 ALA H A 17 LEU HD2% 1.0 1.8 3.5 1456 1156 A 49 ALA HA A 17 LEU HD1% 1.0 1.8 5.0 1457 1156 A 49 ALA HA A 17 LEU HD2% 1.0 1.8 5.0 1458 1157 A 49 ALA HB% A 17 LEU HD1% 1.0 1.8 3.5 1459 1157 A 49 ALA HB% A 17 LEU HD2% 1.0 1.8 3.5 1460 1158 A 52 LEU HD2% A 17 LEU HD1% 1.0 1.8 5.0 1461 1158 A 52 LEU HD2% A 17 LEU HD2% 1.0 1.8 5.0 1462 1159 A 53 TYR H A 17 LEU HD1% 1.0 1.8 6.0 1463 1159 A 53 TYR H A 17 LEU HD2% 1.0 1.8 6.0 1464 1160 A 18 THR HA A 40 MET HGy 1.0 1.8 5.0 1465 1160 A 18 THR HA A 40 MET HGx 1.0 1.8 5.0 1466 1161 A 20 GLY H A 19 GLU HBx 1.0 1.8 5.0 1467 1161 A 20 GLY H A 19 GLU HBy 1.0 1.8 5.0 1468 1162 A 32 ALA HB% A 19 GLU HBx 1.0 1.8 5.0 1469 1162 A 32 ALA HB% A 19 GLU HBy 1.0 1.8 5.0 1470 1163 A 21 CYS H A 20 GLY HAx 1.0 1.8 3.5 1471 1163 A 21 CYS H A 20 GLY HAy 1.0 1.8 3.5 1472 1164 A 32 ALA H A 20 GLY HAx 1.0 1.8 5.0 1473 1164 A 32 ALA H A 20 GLY HAy 1.0 1.8 5.0 1474 1165 A 32 ALA HB% A 20 GLY HAx 1.0 1.8 3.5 1475 1165 A 32 ALA HB% A 20 GLY HAy 1.0 1.8 3.5 1476 1166 A 33 SER H A 20 GLY HAx 1.0 1.8 5.0 1477 1166 A 33 SER H A 20 GLY HAy 1.0 1.8 5.0 1478 1167 A 21 CYS H A 22 GLY HAy 1.0 1.8 5.0 1479 1167 A 21 CYS H A 22 GLY HAx 1.0 1.8 5.0 1480 1168 A 21 CYS H A 60 CYS HBy 1.0 1.8 6.0 1481 1168 A 21 CYS H A 60 CYS HBx 1.0 1.8 6.0 1482 1169 A 23 ASN H A 21 CYS HBy 1.0 1.8 6.0 1483 1169 A 23 ASN H A 21 CYS HBx 1.0 1.8 6.0 1484 1170 A 60 CYS H A 21 CYS HBy 1.0 1.8 6.0 1485 1170 A 60 CYS H A 21 CYS HBx 1.0 1.8 6.0 1486 1171 A 21 CYS HBy A 60 CYS HBy 1.0 1.8 5.0 1487 1171 A 21 CYS HBx A 60 CYS HBy 1.0 1.8 5.0 1488 1171 A 60 CYS HBx A 21 CYS HBy 1.0 1.8 5.0 1489 1171 A 60 CYS HBx A 21 CYS HBx 1.0 1.8 5.0 1490 1172 A 23 ASN H A 23 ASN HBy 1.0 1.8 3.5 1491 1172 A 23 ASN H A 23 ASN HBx 1.0 1.8 3.5 1492 1173 A 23 ASN H A 23 ASN HD2y 1.0 1.8 5.0 1493 1173 A 23 ASN H A 23 ASN HD2x 1.0 1.8 5.0 1494 1174 A 24 GLU H A 23 ASN HBy 1.0 1.8 5.0 1495 1174 A 24 GLU H A 23 ASN HBx 1.0 1.8 5.0 1496 1175 A 25 ALA H A 23 ASN HBy 1.0 1.8 5.0 1497 1175 A 25 ALA H A 23 ASN HBx 1.0 1.8 5.0 1498 1176 A 26 CYS H A 23 ASN HBy 1.0 1.8 5.0 1499 1176 A 26 CYS H A 23 ASN HBx 1.0 1.8 5.0 1500 1177 A 25 ALA HB% A 23 ASN HD2y 1.0 1.8 6.0 1501 1177 A 25 ALA HB% A 23 ASN HD2x 1.0 1.8 6.0 1502 1178 A 26 CYS H A 23 ASN HD2x 1.0 1.8 5.0 1503 1178 A 26 CYS H A 23 ASN HD2y 1.0 1.8 5.0 1504 1179 A 26 CYS HA A 23 ASN HD2y 1.0 1.8 5.0 1505 1179 A 26 CYS HA A 23 ASN HD2x 1.0 1.8 5.0 1506 1180 A 26 CYS HBy A 23 ASN HD2y 1.0 1.8 5.0 1507 1180 A 26 CYS HBy A 23 ASN HD2x 1.0 1.8 5.0 1508 1181 A 24 GLU HBx A 24 GLU HGx 1.0 1.8 2.7 1509 1181 A 24 GLU HGy A 24 GLU HBx 1.0 1.8 2.7 1510 1181 A 24 GLU HGy A 24 GLU HBy 1.0 1.8 2.7 1511 1181 A 24 GLU HBy A 24 GLU HGx 1.0 1.8 2.7 1512 1182 A 25 ALA H A 24 GLU HBx 1.0 1.8 5.0 1513 1182 A 25 ALA H A 24 GLU HBy 1.0 1.8 5.0 1514 1183 A 25 ALA HB% A 24 GLU HBx 1.0 1.8 6.0 1515 1183 A 25 ALA HB% A 24 GLU HBy 1.0 1.8 6.0 1516 1184 A 29 GLU H A 29 GLU HBx 1.0 1.8 3.5 1517 1184 A 29 GLU H A 29 GLU HBy 1.0 1.8 3.5 1518 1185 A 29 GLU H A 29 GLU HGx 1.0 1.8 3.5 1519 1185 A 29 GLU H A 29 GLU HGy 1.0 1.8 3.5 1520 1186 A 29 GLU HA A 29 GLU HGx 1.0 1.8 5.0 1521 1186 A 29 GLU HA A 29 GLU HGy 1.0 1.8 5.0 1522 1187 A 29 GLU HBx A 29 GLU HGx 1.0 1.8 2.7 1523 1187 A 29 GLU HGy A 29 GLU HBx 1.0 1.8 2.7 1524 1187 A 29 GLU HBy A 29 GLU HGy 1.0 1.8 2.7 1525 1187 A 29 GLU HBy A 29 GLU HGx 1.0 1.8 2.7 1526 1188 A 30 PHE H A 29 GLU HBx 1.0 1.8 5.0 1527 1188 A 30 PHE H A 29 GLU HBy 1.0 1.8 5.0 1528 1189 A 30 PHE HD% A 29 GLU HGx 1.0 1.8 5.0 1529 1189 A 30 PHE HD% A 29 GLU HGy 1.0 1.8 5.0 1530 1190 A 30 PHE HD% A 48 LYS HDx 1.0 1.8 6.0 1531 1190 A 30 PHE HD% A 48 LYS HDy 1.0 1.8 6.0 1532 1191 A 30 PHE HD% A 48 LYS HEx 1.0 1.8 5.0 1533 1191 A 30 PHE HD% A 48 LYS HEy 1.0 1.8 5.0 1534 1192 A 36 THR H A 35 PRO HGx 1.0 1.8 5.0 1535 1192 A 36 THR H A 35 PRO HGy 1.0 1.8 5.0 1536 1193 A 37 PHE HA A 38 LEU HBy 1.0 1.8 5.0 1537 1193 A 37 PHE HA A 38 LEU HBx 1.0 1.8 5.0 1538 1194 A 37 PHE HE% A 40 MET HGy 1.0 1.8 5.0 1539 1194 A 37 PHE HE% A 40 MET HGx 1.0 1.8 5.0 1540 1195 A 38 LEU H A 38 LEU HBy 1.0 1.8 3.5 1541 1195 A 38 LEU H A 38 LEU HBx 1.0 1.8 3.5 1542 1196 A 38 LEU HA A 38 LEU HD1% 1.0 1.8 3.5 1543 1196 A 38 LEU HA A 38 LEU HD2% 1.0 1.8 3.5 1544 1197 A 38 LEU HBy A 38 LEU HD1% 1.0 1.8 2.7 1545 1197 A 38 LEU HBx A 38 LEU HD1% 1.0 1.8 2.7 1546 1197 A 38 LEU HD2% A 38 LEU HBy 1.0 1.8 2.7 1547 1197 A 38 LEU HBx A 38 LEU HD2% 1.0 1.8 2.7 1548 1198 A 39 ARG H A 38 LEU HBy 1.0 1.8 5.0 1549 1198 A 39 ARG H A 38 LEU HBx 1.0 1.8 5.0 1550 1199 A 39 ARG H A 38 LEU HD1% 1.0 1.8 5.0 1551 1199 A 39 ARG H A 38 LEU HD2% 1.0 1.8 5.0 1552 1200 A 39 ARG HBx A 40 MET HGy 1.0 1.8 5.0 1553 1200 A 39 ARG HBy A 40 MET HGy 1.0 1.8 5.0 1554 1200 A 40 MET HGx A 39 ARG HBx 1.0 1.8 5.0 1555 1200 A 39 ARG HBy A 40 MET HGx 1.0 1.8 5.0 1556 1201 A 39 ARG HDx A 40 MET HGy 1.0 1.8 5.0 1557 1201 A 39 ARG HDy A 40 MET HGy 1.0 1.8 5.0 1558 1201 A 40 MET HGx A 39 ARG HDx 1.0 1.8 5.0 1559 1201 A 39 ARG HDy A 40 MET HGx 1.0 1.8 5.0 1560 1202 A 40 MET HA A 40 MET HGy 1.0 1.8 5.0 1561 1202 A 40 MET HA A 40 MET HGx 1.0 1.8 5.0 1562 1203 A 44 ALA HB% A 40 MET HGy 1.0 1.8 5.0 1563 1203 A 44 ALA HB% A 40 MET HGx 1.0 1.8 5.0 1564 1204 A 45 ALA H A 40 MET HGy 1.0 1.8 5.0 1565 1204 A 45 ALA H A 40 MET HGx 1.0 1.8 5.0 1566 1205 A 45 ALA HB% A 40 MET HGy 1.0 1.8 5.0 1567 1205 A 45 ALA HB% A 40 MET HGx 1.0 1.8 5.0 1568 1206 A 41 ASP H A 41 ASP HBx 1.0 1.8 5.0 1569 1206 A 41 ASP H A 41 ASP HBy 1.0 1.8 5.0 1570 1207 A 44 ALA H A 41 ASP HBx 1.0 1.8 5.0 1571 1207 A 44 ALA H A 41 ASP HBy 1.0 1.8 5.0 1572 1208 A 44 ALA HB% A 41 ASP HBx 1.0 1.8 5.0 1573 1208 A 44 ALA HB% A 41 ASP HBy 1.0 1.8 5.0 1574 1209 A 45 ALA HB% A 42 ASN HBy 1.0 1.8 5.0 1575 1209 A 45 ALA HB% A 42 ASN HBx 1.0 1.8 5.0 1576 1210 A 43 ASN HA A 43 ASN HBy 1.0 1.8 2.7 1577 1210 A 43 ASN HA A 43 ASN HBx 1.0 1.8 2.7 1578 1211 A 44 ALA HB% A 43 ASN HBy 1.0 1.8 5.0 1579 1211 A 44 ALA HB% A 43 ASN HBx 1.0 1.8 5.0 1580 1212 A 47 ILE HG2% A 48 LYS HDx 1.0 1.8 5.0 1581 1212 A 47 ILE HG2% A 48 LYS HDy 1.0 1.8 5.0 1582 1213 A 47 ILE HG2% A 48 LYS HEx 1.0 1.8 6.0 1583 1213 A 47 ILE HG2% A 48 LYS HEy 1.0 1.8 6.0 1584 1214 A 48 LYS H A 48 LYS HDx 1.0 1.8 5.0 1585 1214 A 48 LYS H A 48 LYS HDy 1.0 1.8 5.0 1586 1215 A 48 LYS HA A 48 LYS HDx 1.0 1.8 3.5 1587 1215 A 48 LYS HA A 48 LYS HDy 1.0 1.8 3.5 1588 1216 A 48 LYS HA A 48 LYS HEx 1.0 1.8 5.0 1589 1216 A 48 LYS HA A 48 LYS HEy 1.0 1.8 5.0 1590 1217 A 48 LYS HBy A 48 LYS HDx 1.0 1.8 3.5 1591 1217 A 48 LYS HBy A 48 LYS HDy 1.0 1.8 3.5 1592 1218 A 48 LYS HBy A 48 LYS HEx 1.0 1.8 5.0 1593 1218 A 48 LYS HBy A 48 LYS HEy 1.0 1.8 5.0 1594 1219 A 48 LYS HBx A 48 LYS HEx 1.0 1.8 5.0 1595 1219 A 48 LYS HBx A 48 LYS HEy 1.0 1.8 5.0 1596 1220 A 48 LYS HEy A 48 LYS HGx 1.0 1.8 3.5 1597 1220 A 48 LYS HEx A 48 LYS HGx 1.0 1.8 3.5 1598 1220 A 48 LYS HGy A 48 LYS HEx 1.0 1.8 3.5 1599 1220 A 48 LYS HGy A 48 LYS HEy 1.0 1.8 3.5 1600 1221 A 51 GLU H A 48 LYS HDx 1.0 1.8 6.0 1601 1221 A 51 GLU H A 48 LYS HDy 1.0 1.8 6.0 1602 1222 A 48 LYS HDx A 51 GLU HBx 1.0 1.8 5.0 1603 1222 A 48 LYS HDy A 51 GLU HBx 1.0 1.8 5.0 1604 1222 A 51 GLU HBy A 48 LYS HDx 1.0 1.8 5.0 1605 1222 A 51 GLU HBy A 48 LYS HDy 1.0 1.8 5.0 1606 1223 A 52 LEU HD1% A 48 LYS HDx 1.0 1.8 5.0 1607 1223 A 52 LEU HD1% A 48 LYS HDy 1.0 1.8 5.0 1608 1224 A 52 LEU HD2% A 48 LYS HDx 1.0 1.8 5.0 1609 1224 A 52 LEU HD2% A 48 LYS HDy 1.0 1.8 5.0 1610 1225 A 48 LYS HEy A 51 GLU HBx 1.0 1.8 6.0 1611 1225 A 48 LYS HEx A 51 GLU HBx 1.0 1.8 6.0 1612 1225 A 51 GLU HBy A 48 LYS HEx 1.0 1.8 6.0 1613 1225 A 51 GLU HBy A 48 LYS HEy 1.0 1.8 6.0 1614 1226 A 51 GLU HGx A 48 LYS HEx 1.0 1.8 6.0 1615 1226 A 51 GLU HGx A 48 LYS HEy 1.0 1.8 6.0 1616 1227 A 52 LEU HG A 48 LYS HEx 1.0 1.8 6.0 1617 1227 A 52 LEU HG A 48 LYS HEy 1.0 1.8 6.0 1618 1228 A 52 LEU HD1% A 48 LYS HEx 1.0 1.8 5.0 1619 1228 A 52 LEU HD1% A 48 LYS HEy 1.0 1.8 5.0 1620 1229 A 52 LEU HD2% A 48 LYS HEx 1.0 1.8 5.0 1621 1229 A 52 LEU HD2% A 48 LYS HEy 1.0 1.8 5.0 1622 1230 A 49 ALA HA A 53 TYR HBx 1.0 1.8 6.0 1623 1230 A 49 ALA HA A 53 TYR HBy 1.0 1.8 6.0 1624 1231 A 50 LEU HA A 53 TYR HBx 1.0 1.8 5.0 1625 1231 A 50 LEU HA A 53 TYR HBy 1.0 1.8 5.0 1626 1232 A 50 LEU HD1% A 53 TYR HBx 1.0 1.8 5.0 1627 1232 A 50 LEU HD1% A 53 TYR HBy 1.0 1.8 5.0 1628 1233 A 50 LEU HD2% A 53 TYR HBx 1.0 1.8 5.0 1629 1233 A 50 LEU HD2% A 53 TYR HBy 1.0 1.8 5.0 1630 1234 A 53 TYR HA A 59 LEU HD1% 1.0 1.8 5.0 1631 1234 A 53 TYR HA A 59 LEU HD2% 1.0 1.8 5.0 1632 1235 A 54 LYS H A 53 TYR HBx 1.0 1.8 5.0 1633 1235 A 54 LYS H A 53 TYR HBy 1.0 1.8 5.0 1634 1236 A 56 ASN HA A 56 ASN HD2y 1.0 1.8 5.0 1635 1236 A 56 ASN HA A 56 ASN HD2x 1.0 1.8 5.0 1636 1237 A 57 ALA H A 56 ASN HBy 1.0 1.8 5.0 1637 1237 A 57 ALA H A 56 ASN HBx 1.0 1.8 5.0 1638 1238 A 58 LYS HA A 59 LEU HBy 1.0 1.8 5.0 1639 1238 A 58 LYS HA A 59 LEU HBx 1.0 1.8 5.0 1640 1239 A 59 LEU H A 59 LEU HD1% 1.0 1.8 5.0 1641 1239 A 59 LEU H A 59 LEU HD2% 1.0 1.8 5.0 1642 1240 A 59 LEU HA A 59 LEU HD1% 1.0 1.8 3.5 1643 1240 A 59 LEU HA A 59 LEU HD2% 1.0 1.8 3.5 1644 1241 A 59 LEU HA A 60 CYS HBy 1.0 1.8 6.0 1645 1241 A 59 LEU HA A 60 CYS HBx 1.0 1.8 6.0 1646 1242 A 59 LEU HBy A 59 LEU HD1% 1.0 1.8 3.5 1647 1242 A 59 LEU HBx A 59 LEU HD1% 1.0 1.8 3.5 1648 1242 A 59 LEU HD2% A 59 LEU HBy 1.0 1.8 3.5 1649 1242 A 59 LEU HD2% A 59 LEU HBx 1.0 1.8 3.5 1650 1243 A 60 CYS H A 59 LEU HD1% 1.0 1.8 5.0 1651 1243 A 60 CYS H A 59 LEU HD2% 1.0 1.8 5.0 1652 1244 A 60 CYS H A 60 CYS HBy 1.0 1.8 3.5 1653 1244 A 60 CYS H A 60 CYS HBx 1.0 1.8 3.5 1654 1245 A 61 ASP H A 60 CYS HBy 1.0 1.8 5.0 1655 1245 A 61 ASP H A 60 CYS HBx 1.0 1.8 5.0 1656 1246 A 61 ASP H A 61 ASP HBx 1.0 1.8 5.0 1657 1246 A 61 ASP H A 61 ASP HBy 1.0 1.8 5.0 1658 1247 A 61 ASP HBx A 62 PRO HDx 1.0 1.8 3.5 1659 1247 A 61 ASP HBy A 62 PRO HDx 1.0 1.8 3.5 1660 1247 A 62 PRO HDy A 61 ASP HBx 1.0 1.8 3.5 1661 1247 A 61 ASP HBy A 62 PRO HDy 1.0 1.8 3.5 1662 1248 A 63 HIS H A 62 PRO HBx 1.0 1.8 5.0 1663 1248 A 63 HIS H A 62 PRO HBy 1.0 1.8 5.0 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 7 LYS H A 3 ARG O 1.0 1.8 2.3 2 2 A 3 ARG O A 7 LYS N 1.0 2.7 3.3 3 3 A 8 HIS H A 4 ALA O 1.0 1.8 2.3 4 4 A 4 ALA O A 8 HIS N 1.0 2.7 3.3 5 5 A 9 LEU H A 5 ALA O 1.0 1.8 2.3 6 6 A 5 ALA O A 9 LEU N 1.0 2.7 3.3 7 7 A 10 ILE H A 6 ALA O 1.0 1.8 2.3 8 8 A 6 ALA O A 10 ILE N 1.0 2.7 3.3 9 9 A 11 GLU H A 7 LYS O 1.0 1.8 2.3 10 10 A 7 LYS O A 11 GLU N 1.0 2.7 3.3 11 11 A 12 ARG H A 8 HIS O 1.0 1.8 2.3 12 12 A 8 HIS O A 12 ARG N 1.0 2.7 3.3 13 13 A 13 TYR H A 9 LEU O 1.0 1.8 2.3 14 14 A 9 LEU O A 13 TYR N 1.0 2.7 3.3 15 15 A 14 TYR H A 10 ILE O 1.0 1.8 2.3 16 16 A 10 ILE O A 14 TYR N 1.0 2.7 3.3 17 17 A 15 HIS H A 11 GLU O 1.0 1.8 2.3 18 18 A 11 GLU O A 15 HIS N 1.0 2.7 3.3 19 19 A 16 GLN H A 12 ARG O 1.0 1.8 2.3 20 20 A 12 ARG O A 16 GLN N 1.0 2.7 3.3 21 21 A 17 LEU H A 13 TYR O 1.0 1.8 2.3 22 22 A 13 TYR O A 17 LEU N 1.0 2.7 3.3 23 23 A 18 THR H A 14 TYR O 1.0 1.8 2.3 24 24 A 14 TYR O A 18 THR N 1.0 2.7 3.3 25 25 A 19 GLU H A 15 HIS O 1.0 1.8 2.3 26 26 A 15 HIS O A 19 GLU N 1.0 2.7 3.3 27 27 A 46 ALA H A 42 ASN O 1.0 1.8 2.3 28 28 A 42 ASN O A 46 ALA N 1.0 2.7 3.3 29 29 A 47 ILE H A 43 ASN O 1.0 1.8 2.3 30 30 A 43 ASN O A 47 ILE N 1.0 2.7 3.3 31 31 A 48 LYS H A 44 ALA O 1.0 1.8 2.3 32 32 A 44 ALA O A 48 LYS N 1.0 2.7 3.3 33 33 A 49 ALA H A 45 ALA O 1.0 1.8 2.3 34 34 A 45 ALA O A 49 ALA N 1.0 2.7 3.3 35 35 A 50 LEU H A 46 ALA O 1.0 1.8 2.3 36 36 A 46 ALA O A 50 LEU N 1.0 2.7 3.3 37 37 A 51 GLU H A 47 ILE O 1.0 1.8 2.3 38 38 A 47 ILE O A 51 GLU N 1.0 2.7 3.3 39 39 A 52 LEU H A 48 LYS O 1.0 1.8 2.3 40 40 A 48 LYS O A 52 LEU N 1.0 2.7 3.3 41 41 A 53 TYR H A 49 ALA O 1.0 1.8 2.3 42 42 A 49 ALA O A 53 TYR N 1.0 2.7 3.3 43 43 A 54 LYS H A 50 LEU O 1.0 1.8 2.3 44 44 A 50 LEU O A 54 LYS N 1.0 2.7 3.3 45 45 A 55 ILE H A 51 GLU O 1.0 1.8 2.3 46 46 A 51 GLU O A 55 ILE N 1.0 2.7 3.3 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 4 ALA C A 5 ALA N A 5 ALA CA A 5 ALA C 1.0 -81.7 -48.2 PHI 2 2 A 5 ALA N A 5 ALA CA A 5 ALA C A 6 ALA N 1.0 -53.6 -20.1 PSI 3 3 A 5 ALA C A 6 ALA N A 6 ALA CA A 6 ALA C 1.0 -78.2 -48.2 PHI 4 4 A 6 ALA N A 6 ALA CA A 6 ALA C A 7 LYS N 1.0 -56.2 -26.2 PSI 5 5 A 6 ALA C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -79.0 -49.0 PHI 6 6 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 HIS N 1.0 -52.4 -22.4 PSI 7 7 A 7 LYS C A 8 HIS N A 8 HIS CA A 8 HIS C 1.0 -81.6 -47.5 PHI 8 8 A 8 HIS N A 8 HIS CA A 8 HIS C A 9 LEU N 1.0 -58.9 -24.8 PSI 9 9 A 8 HIS C A 9 LEU N A 9 LEU CA A 9 LEU C 1.0 -76.0 -46.0 PHI 10 10 A 9 LEU N A 9 LEU CA A 9 LEU C A 10 ILE N 1.0 -57.3 -27.3 PSI 11 11 A 9 LEU C A 10 ILE N A 10 ILE CA A 10 ILE C 1.0 -78.6 -48.6 PHI 12 12 A 10 ILE N A 10 ILE CA A 10 ILE C A 11 GLU N 1.0 -58.2 -28.2 PSI 13 13 A 10 ILE C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -75.8 -45.8 PHI 14 14 A 11 GLU N A 11 GLU CA A 11 GLU C A 12 ARG N 1.0 -56.4 -26.4 PSI 15 15 A 11 GLU C A 12 ARG N A 12 ARG CA A 12 ARG C 1.0 -78.7 -48.7 PHI 16 16 A 12 ARG N A 12 ARG CA A 12 ARG C A 13 TYR N 1.0 -58.8 -28.8 PSI 17 17 A 12 ARG C A 13 TYR N A 13 TYR CA A 13 TYR C 1.0 -81.1 -51.1 PHI 18 18 A 13 TYR N A 13 TYR CA A 13 TYR C A 14 TYR N 1.0 -55.0 -25.0 PSI 19 19 A 13 TYR C A 14 TYR N A 14 TYR CA A 14 TYR C 1.0 -78.7 -48.7 PHI 20 20 A 14 TYR N A 14 TYR CA A 14 TYR C A 15 HIS N 1.0 -57.3 -27.3 PSI 21 21 A 14 TYR C A 15 HIS N A 15 HIS CA A 15 HIS C 1.0 -78.5 -48.5 PHI 22 22 A 15 HIS N A 15 HIS CA A 15 HIS C A 16 GLN N 1.0 -54.1 -24.1 PSI 23 23 A 15 HIS C A 16 GLN N A 16 GLN CA A 16 GLN C 1.0 -74.4 -44.4 PHI 24 24 A 16 GLN N A 16 GLN CA A 16 GLN C A 17 LEU N 1.0 -54.7 -24.7 PSI 25 25 A 16 GLN C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -104.9 -54.5 PHI 26 26 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 THR N 1.0 -51.8 -1.4 PSI 27 27 A 24 GLU C A 25 ALA N A 25 ALA CA A 25 ALA C 1.0 -175.0 -31.8 PHI 28 28 A 25 ALA N A 25 ALA CA A 25 ALA C A 26 CYS N 1.0 47.0 190.2 PSI 29 29 A 30 PHE C A 31 CYS N A 31 CYS CA A 31 CYS C 1.0 -167.6 -62.0 PHI 30 30 A 31 CYS N A 31 CYS CA A 31 CYS C A 32 ALA N 1.0 84.5 190.1 PSI 31 31 A 31 CYS C A 32 ALA N A 32 ALA CA A 32 ALA C 1.0 -101.1 -40.1 PHI 32 32 A 32 ALA N A 32 ALA CA A 32 ALA C A 33 SER N 1.0 102.1 163.1 PSI 33 33 A 33 SER C A 34 CYS N A 34 CYS CA A 34 CYS C 1.0 -157.3 -42.1 PHI 34 34 A 34 CYS N A 34 CYS CA A 34 CYS C A 35 PRO N 1.0 67.0 182.1 PSI 35 35 A 35 PRO C A 36 THR N A 36 THR CA A 36 THR C 1.0 -123.2 -63.9 PHI 36 36 A 36 THR N A 36 THR CA A 36 THR C A 37 PHE N 1.0 -34.9 24.4 PSI 37 37 A 36 THR C A 37 PHE N A 37 PHE CA A 37 PHE C 1.0 -153.3 -15.3 PHI 38 38 A 37 PHE N A 37 PHE CA A 37 PHE C A 38 LEU N 1.0 58.6 196.6 PSI 39 39 A 37 PHE C A 38 LEU N A 38 LEU CA A 38 LEU C 1.0 -181.3 -58.1 PHI 40 40 A 38 LEU N A 38 LEU CA A 38 LEU C A 39 ARG N 1.0 58.1 181.3 PSI 41 41 A 40 MET C A 41 ASP N A 41 ASP CA A 41 ASP C 1.0 -153.5 -2.0 PHI 42 42 A 41 ASP N A 41 ASP CA A 41 ASP C A 42 ASN N 1.0 73.4 224.9 PSI 43 43 A 41 ASP C A 42 ASN N A 42 ASN CA A 42 ASN C 1.0 -73.9 -43.9 PHI 44 44 A 42 ASN N A 42 ASN CA A 42 ASN C A 43 ASN N 1.0 -49.5 -19.5 PSI 45 45 A 42 ASN C A 43 ASN N A 43 ASN CA A 43 ASN C 1.0 -82.9 -47.5 PHI 46 46 A 43 ASN N A 43 ASN CA A 43 ASN C A 44 ALA N 1.0 -58.7 -23.3 PSI 47 47 A 43 ASN C A 44 ALA N A 44 ALA CA A 44 ALA C 1.0 -79.2 -49.2 PHI 48 48 A 44 ALA N A 44 ALA CA A 44 ALA C A 45 ALA N 1.0 -57.1 -27.1 PSI 49 49 A 44 ALA C A 45 ALA N A 45 ALA CA A 45 ALA C 1.0 -88.0 -44.5 PHI 50 50 A 45 ALA N A 45 ALA CA A 45 ALA C A 46 ALA N 1.0 -62.8 -19.3 PSI 51 51 A 45 ALA C A 46 ALA N A 46 ALA CA A 46 ALA C 1.0 -76.0 -44.0 PHI 52 52 A 46 ALA N A 46 ALA CA A 46 ALA C A 47 ILE N 1.0 -58.6 -26.6 PSI 53 53 A 46 ALA C A 47 ILE N A 47 ILE CA A 47 ILE C 1.0 -96.2 -35.0 PHI 54 54 A 47 ILE N A 47 ILE CA A 47 ILE C A 48 LYS N 1.0 -69.5 -8.2 PSI 55 55 A 47 ILE C A 48 LYS N A 48 LYS CA A 48 LYS C 1.0 -87.3 -49.8 PHI 56 56 A 48 LYS N A 48 LYS CA A 48 LYS C A 49 ALA N 1.0 -52.5 -15.0 PSI 57 57 A 48 LYS C A 49 ALA N A 49 ALA CA A 49 ALA C 1.0 -80.1 -35.4 PHI 58 58 A 49 ALA N A 49 ALA CA A 49 ALA C A 50 LEU N 1.0 -70.2 -25.5 PSI 59 59 A 49 ALA C A 50 LEU N A 50 LEU CA A 50 LEU C 1.0 -91.4 -35.1 PHI 60 60 A 50 LEU N A 50 LEU CA A 50 LEU C A 51 GLU N 1.0 -64.4 -8.2 PSI 61 61 A 50 LEU C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -76.7 -46.7 PHI 62 62 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 LEU N 1.0 -58.4 -28.4 PSI 63 63 A 51 GLU C A 52 LEU N A 52 LEU CA A 52 LEU C 1.0 -85.0 -52.1 PHI 64 64 A 52 LEU N A 52 LEU CA A 52 LEU C A 53 TYR N 1.0 -53.5 -20.6 PSI 65 65 A 52 LEU C A 53 TYR N A 53 TYR CA A 53 TYR C 1.0 -80.8 -50.8 PHI 66 66 A 53 TYR N A 53 TYR CA A 53 TYR C A 54 LYS N 1.0 -56.4 -26.4 PSI 67 67 A 53 TYR C A 54 LYS N A 54 LYS CA A 54 LYS C 1.0 -78.2 -45.7 PHI 68 68 A 54 LYS N A 54 LYS CA A 54 LYS C A 55 ILE N 1.0 -48.2 -15.7 PSI 69 69 A 54 LYS C A 55 ILE N A 55 ILE CA A 55 ILE C 1.0 -131.8 -51.4 PHI 70 70 A 55 ILE N A 55 ILE CA A 55 ILE C A 56 ASN N 1.0 -46.5 33.8 PSI 71 71 A 57 ALA C A 58 LYS N A 58 LYS CA A 58 LYS C 1.0 -111.4 -47.1 PHI 72 72 A 57 ALA C A 58 LYS N A 58 LYS CA A 58 LYS C 1.0 -71.0 -59.0 PHI 73 73 A 58 LYS N A 58 LYS CA A 58 LYS C A 59 LEU N 1.0 93.7 158.0 PSI 74 74 A 58 LYS N A 58 LYS CA A 58 LYS C A 59 LEU N 1.0 97.4 127.8 PSI 75 75 A 58 LYS C A 59 LEU N A 59 LEU CA A 59 LEU C 1.0 -148.4 -63.8 PHI 76 76 A 59 LEU N A 59 LEU CA A 59 LEU C A 60 CYS N 1.0 72.3 156.8 PSI 77 77 A 62 PRO C A 63 HIS N A 63 HIS CA A 63 HIS C 1.0 -161.4 -37.8 PHI 78 78 A 63 HIS N A 63 HIS CA A 63 HIS C A 64 PRO N 1.0 78.2 201.9 PSI 79 79 A 19 GLU C A 20 GLY N A 20 GLY CA A 20 GLY C 1.0 96.0 136.0 PHI 80 80 A 20 GLY N A 20 GLY CA A 20 GLY C A 21 CYS N 1.0 -159.6 -111.6 PSI 81 81 A 20 GLY C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -158.0 -122.0 PHI 82 82 A 21 CYS N A 21 CYS CA A 21 CYS C A 22 GLY N 1.0 2.4 32.8 PSI 83 83 A 21 CYS C A 22 GLY N A 22 GLY CA A 22 GLY C 1.0 80.0 100.0 PHI 84 84 A 22 GLY N A 22 GLY CA A 22 GLY C A 23 ASN N 1.0 -65.8 -35.4 PSI 85 85 A 22 GLY C A 23 ASN N A 23 ASN CA A 23 ASN C 1.0 -97.0 -53.0 PHI 86 86 A 23 ASN N A 23 ASN CA A 23 ASN C A 24 GLU N 1.0 106.4 136.8 PSI 87 87 A 61 ASP C A 62 PRO N A 62 PRO CA A 63 HIS C 1.0 -70.0 -50.0 . 88 88 A 62 PRO N A 62 PRO CA A 62 PRO C A 63 HIS N 1.0 109.8 140.2 PSI 89 89 A 32 ALA C A 33 SER N A 33 SER CA A 33 SER C 1.0 65.0 75.0 PHI 90 90 A 33 SER N A 33 SER CA A 33 SER C A 34 CYS N 1.0 5.0 25.0 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 15N 1825.143 2 1H 8404.659 3 1H 2703.571 stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 10869.058 2 1H 8404.659 3 1H 3395.849 stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 4227.215 2 1H 8404.659 3 1H 966.731 stop_ save_