data_nef_c16386_2kl7 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 6 CYS SG 1 69 CYS SG 1 13 CYS SG 1 28 CYS SG 1 19 CYS SG 1 57 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 SER start . . 2 A 2 ASP middle . . 3 A 3 VAL middle . . 4 A 4 ASN middle . . 5 A 5 GLU middle . . 6 A 6 CYS middle -HG . 7 A 7 LEU middle . . 8 A 8 THR middle . . 9 A 9 ILE middle . . 10 A 10 PRO middle . false 11 A 11 GLU middle . . 12 A 12 ALA middle . . 13 A 13 CYS middle -HG . 14 A 14 LYS middle . . 15 A 15 GLY middle . false 16 A 16 GLU middle . . 17 A 17 MET middle . . 18 A 18 LYS middle . . 19 A 19 CYS middle -HG . 20 A 20 ILE middle . . 21 A 21 ASN middle . . 22 A 22 HIS middle . . 23 A 23 TYR middle . . 24 A 24 GLY middle . false 25 A 25 GLY middle . false 26 A 26 TYR middle . . 27 A 27 LEU middle . . 28 A 28 CYS middle -HG . 29 A 29 LEU middle . . 30 A 30 PRO middle . false 31 A 31 ARG middle . . 32 A 32 SER middle . . 33 A 33 ALA middle . . 34 A 34 ALA middle . . 35 A 35 VAL middle . . 36 A 36 ILE middle . . 37 A 37 ASN middle . . 38 A 38 ASP middle . . 39 A 39 LEU middle . . 40 A 40 HIS middle . . 41 A 41 GLY middle . false 42 A 42 GLU middle . . 43 A 43 GLY middle . false 44 A 44 PRO middle . false 45 A 45 PRO middle . false 46 A 46 PRO middle . false 47 A 47 PRO middle . false 48 A 48 VAL middle . . 49 A 49 PRO middle . false 50 A 50 PRO middle . false 51 A 51 ALA middle . . 52 A 52 GLN middle . . 53 A 53 HIS middle . . 54 A 54 PRO middle . false 55 A 55 ASN middle . . 56 A 56 PRO middle . false 57 A 57 CYS middle -HG . 58 A 58 PRO middle . false 59 A 59 PRO middle . false 60 A 60 GLY middle . false 61 A 61 TYR middle . . 62 A 62 GLU middle . . 63 A 63 PRO middle . false 64 A 64 ASP middle . . 65 A 65 ASP middle . . 66 A 66 GLN middle . . 67 A 67 ASP middle . . 68 A 68 SER middle . . 69 A 69 CYS middle -HG . 70 A 70 VAL middle . . 71 A 71 ASP end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 SER C C 13 175.817 0.3 A 2 ASP H H 1 8.270 0.025 A 2 ASP HA H 1 4.706 0.025 A 2 ASP HBy H 1 2.727 0.025 A 2 ASP HBx H 1 2.616 0.025 A 2 ASP C C 13 176.240 0.3 A 2 ASP CA C 13 54.448 0.3 A 2 ASP CB C 13 41.396 0.3 A 2 ASP N N 15 116.604 0.3 A 3 VAL H H 1 8.197 0.025 A 3 VAL HA H 1 4.090 0.025 A 3 VAL HB H 1 2.075 0.025 A 3 VAL HGx% H 1 0.924 0.025 A 3 VAL HGy% H 1 0.924 0.025 A 3 VAL C C 13 175.880 0.3 A 3 VAL CA C 13 62.509 0.3 A 3 VAL CB C 13 32.701 0.3 A 3 VAL CGy C 13 21.073 0.3 A 3 VAL CGx C 13 20.582 0.3 A 3 VAL N N 15 119.871 0.3 A 4 ASN H H 1 8.502 0.025 A 4 ASN HA H 1 4.700 0.025 A 4 ASN HBy H 1 2.790 0.025 A 4 ASN HBx H 1 2.702 0.025 A 4 ASN HD2y H 1 7.608 0.025 A 4 ASN HD2x H 1 6.879 0.025 A 4 ASN C C 13 175.378 0.3 A 4 ASN CA C 13 53.427 0.3 A 4 ASN CB C 13 39.212 0.3 A 4 ASN N N 15 121.932 0.3 A 4 ASN ND2 N 15 112.684 0.3 A 5 GLU H H 1 8.453 0.025 A 5 GLU HA H 1 4.281 0.025 A 5 GLU HBx H 1 1.951 0.025 A 5 GLU HBy H 1 2.069 0.025 A 5 GLU HGy H 1 2.272 0.025 A 5 GLU HGx H 1 2.224 0.025 A 5 GLU C C 13 176.502 0.3 A 5 GLU CA C 13 56.925 0.3 A 5 GLU CB C 13 30.226 0.3 A 5 GLU CG C 13 36.367 0.3 A 5 GLU N N 15 122.108 0.3 A 6 CYS H H 1 8.519 0.025 A 6 CYS HA H 1 4.605 0.025 A 6 CYS HBy H 1 3.198 0.025 A 6 CYS HBx H 1 3.059 0.025 A 6 CYS C C 13 174.876 0.3 A 6 CYS CA C 13 56.068 0.3 A 6 CYS CB C 13 40.544 0.3 A 6 CYS N N 15 119.657 0.3 A 7 LEU H H 1 8.372 0.025 A 7 LEU HA H 1 4.361 0.025 A 7 LEU HBx H 1 1.583 0.025 A 7 LEU HBy H 1 1.705 0.025 A 7 LEU HDx% H 1 0.858 0.025 A 7 LEU HDy% H 1 0.926 0.025 A 7 LEU HG H 1 1.637 0.025 A 7 LEU C C 13 177.534 0.3 A 7 LEU CA C 13 55.778 0.3 A 7 LEU CB C 13 42.554 0.3 A 7 LEU CDx C 13 23.355 0.3 A 7 LEU CDy C 13 25.047 0.3 A 7 LEU CG C 13 26.978 0.3 A 7 LEU N N 15 123.198 0.3 A 8 THR H H 1 8.018 0.025 A 8 THR HA H 1 4.332 0.025 A 8 THR HB H 1 4.221 0.025 A 8 THR HG2% H 1 1.156 0.025 A 8 THR C C 13 174.296 0.3 A 8 THR CA C 13 61.745 0.3 A 8 THR CB C 13 69.529 0.3 A 8 THR CG2 C 13 21.755 0.3 A 8 THR N N 15 113.232 0.3 A 9 ILE H H 1 7.827 0.025 A 9 ILE HA H 1 4.472 0.025 A 9 ILE HB H 1 1.884 0.025 A 9 ILE HD1% H 1 0.829 0.025 A 9 ILE HG1y H 1 1.458 0.025 A 9 ILE HG1x H 1 1.125 0.025 A 9 ILE HG2% H 1 0.896 0.025 A 9 ILE C C 13 174.443 0.3 A 9 ILE CA C 13 58.355 0.3 A 9 ILE CB C 13 38.496 0.3 A 9 ILE CD1 C 13 12.885 0.3 A 9 ILE CG1 C 13 26.796 0.3 A 9 ILE CG2 C 13 17.422 0.3 A 9 ILE N N 15 123.285 0.3 A 10 PRO HA H 1 4.351 0.025 A 10 PRO HBy H 1 2.298 0.025 A 10 PRO HBx H 1 1.874 0.025 A 10 PRO HDy H 1 3.868 0.025 A 10 PRO HDx H 1 3.639 0.025 A 10 PRO HGx H 1 2.047 0.025 A 10 PRO HGy H 1 2.047 0.025 A 10 PRO C C 13 177.207 0.3 A 10 PRO CA C 13 63.599 0.3 A 10 PRO CB C 13 31.965 0.3 A 10 PRO CD C 13 50.945 0.3 A 10 PRO CG C 13 27.547 0.3 A 11 GLU H H 1 8.555 0.025 A 11 GLU HA H 1 4.053 0.025 A 11 GLU HBy H 1 1.886 0.025 A 11 GLU HBx H 1 1.884 0.025 A 11 GLU HGy H 1 2.228 0.025 A 11 GLU HGx H 1 2.197 0.025 A 11 GLU C C 13 176.353 0.3 A 11 GLU CA C 13 56.955 0.3 A 11 GLU CB C 13 29.589 0.3 A 11 GLU CG C 13 36.410 0.3 A 11 GLU N N 15 120.562 0.3 A 12 ALA H H 1 8.089 0.025 A 12 ALA HA H 1 4.233 0.025 A 12 ALA HB% H 1 1.151 0.025 A 12 ALA C C 13 178.135 0.3 A 12 ALA CA C 13 53.092 0.3 A 12 ALA CB C 13 19.570 0.3 A 12 ALA N N 15 123.927 0.3 A 13 CYS H H 1 8.725 0.025 A 13 CYS HA H 1 4.816 0.025 A 13 CYS HBx H 1 2.709 0.025 A 13 CYS HBy H 1 3.013 0.025 A 13 CYS C C 13 175.490 0.3 A 13 CYS CA C 13 52.752 0.3 A 13 CYS CB C 13 36.168 0.3 A 13 CYS N N 15 114.120 0.3 A 14 LYS H H 1 8.246 0.025 A 14 LYS HA H 1 4.027 0.025 A 14 LYS HBx H 1 1.797 0.025 A 14 LYS HBy H 1 1.797 0.025 A 14 LYS HDx H 1 1.680 0.025 A 14 LYS HDy H 1 1.680 0.025 A 14 LYS HEx H 1 2.985 0.025 A 14 LYS HEy H 1 2.985 0.025 A 14 LYS HGy H 1 1.420 0.025 A 14 LYS HGx H 1 1.343 0.025 A 14 LYS C C 13 177.863 0.3 A 14 LYS CA C 13 58.289 0.3 A 14 LYS CB C 13 31.489 0.3 A 14 LYS CD C 13 29.258 0.3 A 14 LYS CE C 13 42.138 0.3 A 14 LYS CG C 13 24.715 0.3 A 14 LYS N N 15 121.767 0.3 A 15 GLY H H 1 8.979 0.025 A 15 GLY HAy H 1 4.161 0.025 A 15 GLY HAx H 1 3.765 0.025 A 15 GLY C C 13 173.903 0.3 A 15 GLY CA C 13 45.603 0.3 A 15 GLY N N 15 113.508 0.3 A 16 GLU H H 1 8.027 0.025 A 16 GLU HA H 1 4.555 0.025 A 16 GLU HBy H 1 2.287 0.025 A 16 GLU HBx H 1 1.565 0.025 A 16 GLU HGy H 1 2.172 0.025 A 16 GLU HGx H 1 2.038 0.025 A 16 GLU C C 13 174.310 0.3 A 16 GLU CA C 13 55.213 0.3 A 16 GLU CB C 13 31.839 0.3 A 16 GLU CG C 13 36.928 0.3 A 16 GLU N N 15 120.692 0.3 A 17 MET H H 1 8.943 0.025 A 17 MET HA H 1 4.584 0.025 A 17 MET HBy H 1 2.050 0.025 A 17 MET HBx H 1 1.901 0.025 A 17 MET HE% H 1 2.033 0.025 A 17 MET HGx H 1 2.415 0.025 A 17 MET HGy H 1 2.415 0.025 A 17 MET C C 13 173.801 0.3 A 17 MET CA C 13 55.183 0.3 A 17 MET CB C 13 34.221 0.3 A 17 MET CE C 13 16.925 0.3 A 17 MET CG C 13 31.524 0.3 A 17 MET N N 15 120.713 0.3 A 18 LYS H H 1 8.789 0.025 A 18 LYS HA H 1 5.083 0.025 A 18 LYS HBy H 1 2.072 0.025 A 18 LYS HBx H 1 1.431 0.025 A 18 LYS HDy H 1 1.558 0.025 A 18 LYS HDx H 1 1.442 0.025 A 18 LYS HEy H 1 2.479 0.025 A 18 LYS HEx H 1 2.215 0.025 A 18 LYS HGy H 1 1.305 0.025 A 18 LYS HGx H 1 1.108 0.025 A 18 LYS C C 13 175.138 0.3 A 18 LYS CA C 13 55.726 0.3 A 18 LYS CB C 13 35.053 0.3 A 18 LYS CD C 13 29.907 0.3 A 18 LYS CE C 13 41.628 0.3 A 18 LYS CG C 13 25.987 0.3 A 18 LYS N N 15 127.261 0.3 A 19 CYS H H 1 9.132 0.025 A 19 CYS HA H 1 5.273 0.025 A 19 CYS HBy H 1 2.929 0.025 A 19 CYS HBx H 1 2.822 0.025 A 19 CYS C C 13 174.193 0.3 A 19 CYS CA C 13 54.753 0.3 A 19 CYS CB C 13 43.915 0.3 A 19 CYS N N 15 126.193 0.3 A 20 ILE H H 1 10.001 0.025 A 20 ILE HA H 1 5.483 0.025 A 20 ILE HB H 1 2.039 0.025 A 20 ILE HD1% H 1 0.825 0.025 A 20 ILE HG1y H 1 1.418 0.025 A 20 ILE HG1x H 1 1.173 0.025 A 20 ILE HG2% H 1 1.038 0.025 A 20 ILE C C 13 176.355 0.3 A 20 ILE CA C 13 59.977 0.3 A 20 ILE CB C 13 42.458 0.3 A 20 ILE CD1 C 13 14.350 0.3 A 20 ILE CG1 C 13 26.436 0.3 A 20 ILE CG2 C 13 18.625 0.3 A 20 ILE N N 15 119.415 0.3 A 21 ASN H H 1 8.092 0.025 A 21 ASN HA H 1 4.906 0.025 A 21 ASN HBy H 1 2.823 0.025 A 21 ASN HBx H 1 1.274 0.025 A 21 ASN HD2x H 1 7.359 0.025 A 21 ASN HD2y H 1 7.359 0.025 A 21 ASN CA C 13 50.729 0.3 A 21 ASN CB C 13 38.492 0.3 A 21 ASN ND2 N 15 112.081 0.3 A 22 HIS HD2 H 1 6.895 0.025 A 22 HIS HE1 H 1 8.005 0.025 A 22 HIS C C 13 174.724 0.3 A 22 HIS CD2 C 13 119.015 0.3 A 22 HIS CE1 C 13 137.770 0.3 A 22 HIS ND1 N 15 213.925 0.3 A 22 HIS NE2 N 15 177.743 0.3 A 23 TYR H H 1 7.932 0.025 A 23 TYR HA H 1 4.785 0.025 A 23 TYR HBy H 1 3.307 0.025 A 23 TYR HBx H 1 2.660 0.025 A 23 TYR HDx H 1 6.965 0.025 A 23 TYR HDy H 1 6.968 0.025 A 23 TYR HEy H 1 6.808 0.025 A 23 TYR HEx H 1 6.807 0.025 A 23 TYR C C 13 176.186 0.3 A 23 TYR CA C 13 56.891 0.3 A 23 TYR CB C 13 38.509 0.3 A 23 TYR CDx C 13 132.854 0.3 A 23 TYR CDy C 13 132.854 0.3 A 23 TYR CEy C 13 118.380 0.3 A 23 TYR CEx C 13 118.339 0.3 A 23 TYR N N 15 117.160 0.3 A 24 GLY HAy H 1 4.411 0.025 A 24 GLY HAx H 1 3.674 0.025 A 24 GLY C C 13 174.895 0.3 A 24 GLY CA C 13 45.377 0.3 A 25 GLY H H 1 8.418 0.025 A 25 GLY HAy H 1 4.461 0.025 A 25 GLY HAx H 1 3.737 0.025 A 25 GLY C C 13 172.832 0.3 A 25 GLY CA C 13 44.602 0.3 A 25 GLY N N 15 110.337 0.3 A 26 TYR H H 1 8.256 0.025 A 26 TYR HA H 1 6.053 0.025 A 26 TYR HBx H 1 2.954 0.025 A 26 TYR HBy H 1 2.954 0.025 A 26 TYR HDy H 1 6.881 0.025 A 26 TYR HDx H 1 6.878 0.025 A 26 TYR HEx H 1 6.818 0.025 A 26 TYR HEy H 1 6.819 0.025 A 26 TYR C C 13 173.625 0.3 A 26 TYR CA C 13 55.921 0.3 A 26 TYR CB C 13 42.690 0.3 A 26 TYR CDx C 13 132.885 0.3 A 26 TYR CDy C 13 132.885 0.3 A 26 TYR CEy C 13 118.560 0.3 A 26 TYR CEx C 13 118.553 0.3 A 26 TYR N N 15 116.601 0.3 A 27 LEU H H 1 9.227 0.025 A 27 LEU HA H 1 4.437 0.025 A 27 LEU HBy H 1 1.295 0.025 A 27 LEU HBx H 1 1.120 0.025 A 27 LEU HDx% H 1 0.502 0.025 A 27 LEU HDy% H 1 0.295 0.025 A 27 LEU HG H 1 1.112 0.025 A 27 LEU C C 13 175.019 0.3 A 27 LEU CA C 13 53.999 0.3 A 27 LEU CB C 13 46.334 0.3 A 27 LEU CDx C 13 24.389 0.3 A 27 LEU CDy C 13 25.039 0.3 A 27 LEU CG C 13 26.468 0.3 A 27 LEU N N 15 121.005 0.3 A 28 CYS H H 1 8.801 0.025 A 28 CYS HA H 1 5.730 0.025 A 28 CYS HBx H 1 2.703 0.025 A 28 CYS HBy H 1 3.126 0.025 A 28 CYS C C 13 174.452 0.3 A 28 CYS CA C 13 51.978 0.3 A 28 CYS CB C 13 37.734 0.3 A 28 CYS N N 15 120.613 0.3 A 29 LEU H H 1 9.371 0.025 A 29 LEU HA H 1 4.891 0.025 A 29 LEU HBy H 1 1.619 0.025 A 29 LEU HBx H 1 1.386 0.025 A 29 LEU HDx% H 1 0.824 0.025 A 29 LEU HDy% H 1 0.831 0.025 A 29 LEU HG H 1 1.557 0.025 A 29 LEU C C 13 173.339 0.3 A 29 LEU CA C 13 51.743 0.3 A 29 LEU CB C 13 44.633 0.3 A 29 LEU CDy C 13 25.882 0.3 A 29 LEU CDx C 13 24.465 0.3 A 29 LEU CG C 13 27.763 0.3 A 29 LEU N N 15 127.550 0.3 A 30 PRO HA H 1 4.478 0.025 A 30 PRO HBx H 1 1.856 0.025 A 30 PRO HBy H 1 2.343 0.025 A 30 PRO HDy H 1 3.815 0.025 A 30 PRO HDx H 1 3.561 0.025 A 30 PRO HGx H 1 2.027 0.025 A 30 PRO HGy H 1 2.027 0.025 A 30 PRO C C 13 177.206 0.3 A 30 PRO CA C 13 62.730 0.3 A 30 PRO CB C 13 31.984 0.3 A 30 PRO CD C 13 50.466 0.3 A 30 PRO CG C 13 27.583 0.3 A 31 ARG H H 1 8.856 0.025 A 31 ARG HA H 1 4.189 0.025 A 31 ARG HBy H 1 1.853 0.025 A 31 ARG HBx H 1 1.743 0.025 A 31 ARG HDy H 1 3.169 0.025 A 31 ARG HDx H 1 3.137 0.025 A 31 ARG HE H 1 7.100 0.025 A 31 ARG HGx H 1 1.638 0.025 A 31 ARG HGy H 1 1.684 0.025 A 31 ARG C C 13 176.891 0.3 A 31 ARG CA C 13 56.964 0.3 A 31 ARG CB C 13 30.633 0.3 A 31 ARG CD C 13 43.318 0.3 A 31 ARG CG C 13 28.248 0.3 A 31 ARG N N 15 121.660 0.3 A 31 ARG NE N 15 84.283 0.3 A 32 SER H H 1 8.318 0.025 A 32 SER HA H 1 4.389 0.025 A 32 SER HBx H 1 3.831 0.025 A 32 SER HBy H 1 3.831 0.025 A 32 SER C C 13 174.251 0.3 A 32 SER CA C 13 58.238 0.3 A 32 SER CB C 13 63.821 0.3 A 32 SER N N 15 116.432 0.3 A 33 ALA H H 1 8.353 0.025 A 33 ALA HA H 1 4.307 0.025 A 33 ALA HB% H 1 1.391 0.025 A 33 ALA C C 13 177.290 0.3 A 33 ALA CA C 13 52.515 0.3 A 33 ALA CB C 13 19.358 0.3 A 33 ALA N N 15 126.203 0.3 A 34 ALA H H 1 8.178 0.025 A 34 ALA HA H 1 4.280 0.025 A 34 ALA HB% H 1 1.347 0.025 A 34 ALA C C 13 177.519 0.3 A 34 ALA CA C 13 52.480 0.3 A 34 ALA CB C 13 19.250 0.3 A 34 ALA N N 15 123.091 0.3 A 35 VAL H H 1 8.083 0.025 A 35 VAL HA H 1 4.060 0.025 A 35 VAL HB H 1 2.033 0.025 A 35 VAL HGx% H 1 0.924 0.025 A 35 VAL HGy% H 1 0.894 0.025 A 35 VAL C C 13 176.050 0.3 A 35 VAL CA C 13 62.297 0.3 A 35 VAL CB C 13 32.695 0.3 A 35 VAL CGx C 13 20.871 0.3 A 35 VAL CGy C 13 21.173 0.3 A 35 VAL N N 15 120.060 0.3 A 36 ILE H H 1 8.264 0.025 A 36 ILE HA H 1 4.141 0.025 A 36 ILE HB H 1 1.833 0.025 A 36 ILE HD1% H 1 0.826 0.025 A 36 ILE HG1y H 1 1.447 0.025 A 36 ILE HG1x H 1 1.152 0.025 A 36 ILE HG2% H 1 0.874 0.025 A 36 ILE C C 13 175.848 0.3 A 36 ILE CA C 13 60.924 0.3 A 36 ILE CB C 13 38.614 0.3 A 36 ILE CD1 C 13 12.715 0.3 A 36 ILE CG1 C 13 27.236 0.3 A 36 ILE CG2 C 13 17.530 0.3 A 36 ILE N N 15 125.147 0.3 A 37 ASN H H 1 8.501 0.025 A 37 ASN HA H 1 4.702 0.025 A 37 ASN HBx H 1 2.757 0.025 A 37 ASN HBy H 1 2.831 0.025 A 37 ASN HD2y H 1 7.683 0.025 A 37 ASN HD2x H 1 6.949 0.025 A 37 ASN C C 13 174.609 0.3 A 37 ASN CA C 13 53.143 0.3 A 37 ASN CB C 13 38.957 0.3 A 37 ASN N N 15 123.292 0.3 A 37 ASN ND2 N 15 113.400 0.3 A 38 ASP H H 1 8.326 0.025 A 38 ASP HA H 1 4.562 0.025 A 38 ASP HBx H 1 2.601 0.025 A 38 ASP HBy H 1 2.657 0.025 A 38 ASP C C 13 176.188 0.3 A 38 ASP CA C 13 54.218 0.3 A 38 ASP CB C 13 41.133 0.3 A 38 ASP N N 15 121.317 0.3 A 39 LEU H H 1 8.188 0.025 A 39 LEU HA H 1 4.242 0.025 A 39 LEU HBy H 1 1.566 0.025 A 39 LEU HBx H 1 1.476 0.025 A 39 LEU HDx% H 1 0.878 0.025 A 39 LEU HDy% H 1 0.815 0.025 A 39 LEU HG H 1 1.520 0.025 A 39 LEU C C 13 177.515 0.3 A 39 LEU CA C 13 55.501 0.3 A 39 LEU CB C 13 42.030 0.3 A 39 LEU CDy C 13 24.931 0.3 A 39 LEU CDx C 13 23.412 0.3 A 39 LEU CG C 13 26.874 0.3 A 39 LEU N N 15 122.367 0.3 A 40 HIS H H 1 8.418 0.025 A 40 HIS HA H 1 4.636 0.025 A 40 HIS HBy H 1 3.247 0.025 A 40 HIS HBx H 1 3.137 0.025 A 40 HIS HD2 H 1 7.123 0.025 A 40 HIS HE1 H 1 8.074 0.025 A 40 HIS C C 13 175.495 0.3 A 40 HIS CA C 13 55.920 0.3 A 40 HIS CB C 13 29.633 0.3 A 40 HIS CD2 C 13 119.679 0.3 A 40 HIS CE1 C 13 137.716 0.3 A 40 HIS N N 15 118.989 0.3 A 40 HIS ND1 N 15 208.253 0.3 A 40 HIS NE2 N 15 178.462 0.3 A 41 GLY H H 1 8.258 0.025 A 41 GLY HAy H 1 3.969 0.025 A 41 GLY HAx H 1 3.952 0.025 A 41 GLY C C 13 174.007 0.3 A 41 GLY CA C 13 45.363 0.3 A 41 GLY N N 15 109.714 0.3 A 42 GLU H H 1 8.406 0.025 A 42 GLU HA H 1 4.378 0.025 A 42 GLU HBx H 1 1.933 0.025 A 42 GLU HBy H 1 2.103 0.025 A 42 GLU HGx H 1 2.259 0.025 A 42 GLU HGy H 1 2.259 0.025 A 42 GLU C C 13 176.668 0.3 A 42 GLU CA C 13 56.278 0.3 A 42 GLU CB C 13 30.473 0.3 A 42 GLU CG C 13 36.264 0.3 A 42 GLU N N 15 120.561 0.3 A 43 GLY H H 1 8.284 0.025 A 43 GLY HAy H 1 4.100 0.025 A 43 GLY HAx H 1 4.099 0.025 A 43 GLY C C 13 171.027 0.3 A 43 GLY CA C 13 44.399 0.3 A 43 GLY N N 15 110.014 0.3 A 47 PRO HBx H 1 2.180 0.025 A 47 PRO C C 13 176.172 0.3 A 47 PRO CB C 13 32.134 0.3 A 48 VAL H H 1 8.585 0.025 A 48 VAL HA H 1 4.438 0.025 A 48 VAL HGx% H 1 0.947 0.025 A 48 VAL HGy% H 1 0.924 0.025 A 48 VAL C C 13 174.309 0.3 A 48 VAL CA C 13 59.190 0.3 A 48 VAL CGy C 13 21.106 0.3 A 48 VAL CGx C 13 20.311 0.3 A 48 VAL N N 15 125.965 0.3 A 50 PRO HA H 1 4.353 0.025 A 50 PRO HBy H 1 2.292 0.025 A 50 PRO HBx H 1 1.930 0.025 A 50 PRO HDy H 1 3.804 0.025 A 50 PRO HDx H 1 3.667 0.025 A 50 PRO HGx H 1 2.023 0.025 A 50 PRO HGy H 1 2.023 0.025 A 50 PRO C C 13 176.824 0.3 A 50 PRO CA C 13 63.194 0.3 A 50 PRO CB C 13 32.006 0.3 A 50 PRO CD C 13 50.820 0.3 A 50 PRO CG C 13 27.338 0.3 A 51 ALA H H 1 8.301 0.025 A 51 ALA HA H 1 4.241 0.025 A 51 ALA HB% H 1 1.359 0.025 A 51 ALA C C 13 177.617 0.3 A 51 ALA CA C 13 52.717 0.3 A 51 ALA CB C 13 19.211 0.3 A 51 ALA N N 15 122.996 0.3 A 52 GLN H H 1 8.165 0.025 A 52 GLN HA H 1 4.266 0.025 A 52 GLN HBy H 1 2.016 0.025 A 52 GLN HBx H 1 1.897 0.025 A 52 GLN HE2y H 1 7.554 0.025 A 52 GLN HE2x H 1 6.881 0.025 A 52 GLN HGx H 1 2.295 0.025 A 52 GLN HGy H 1 2.295 0.025 A 52 GLN C C 13 175.394 0.3 A 52 GLN CA C 13 55.582 0.3 A 52 GLN CB C 13 29.636 0.3 A 52 GLN CG C 13 33.867 0.3 A 52 GLN N N 15 118.178 0.3 A 52 GLN NE2 N 15 112.505 0.3 A 53 HIS H H 1 8.395 0.025 A 53 HIS HA H 1 4.872 0.025 A 53 HIS HBy H 1 3.141 0.025 A 53 HIS HBx H 1 3.036 0.025 A 53 HIS HD2 H 1 7.126 0.025 A 53 HIS HE1 H 1 8.167 0.025 A 53 HIS C C 13 173.260 0.3 A 53 HIS CA C 13 54.036 0.3 A 53 HIS CB C 13 29.841 0.3 A 53 HIS CD2 C 13 119.707 0.3 A 53 HIS CE1 C 13 137.540 0.3 A 53 HIS N N 15 121.522 0.3 A 53 HIS ND1 N 15 200.894 0.3 A 53 HIS NE2 N 15 178.557 0.3 A 54 PRO HA H 1 4.547 0.025 A 54 PRO HBy H 1 2.172 0.025 A 54 PRO HBx H 1 1.992 0.025 A 54 PRO HDx H 1 3.897 0.025 A 54 PRO HDy H 1 3.899 0.025 A 54 PRO HGy H 1 2.073 0.025 A 54 PRO HGx H 1 1.897 0.025 A 54 PRO C C 13 176.605 0.3 A 54 PRO CA C 13 62.997 0.3 A 54 PRO CB C 13 32.349 0.3 A 54 PRO CD C 13 50.287 0.3 A 54 PRO CG C 13 26.412 0.3 A 55 ASN H H 1 8.646 0.025 A 55 ASN HA H 1 4.969 0.025 A 55 ASN HBy H 1 3.075 0.025 A 55 ASN HBx H 1 2.893 0.025 A 55 ASN HD2y H 1 7.519 0.025 A 55 ASN HD2x H 1 7.267 0.025 A 55 ASN C C 13 171.312 0.3 A 55 ASN CA C 13 50.412 0.3 A 55 ASN CB C 13 39.150 0.3 A 55 ASN N N 15 119.583 0.3 A 55 ASN ND2 N 15 110.228 0.3 A 56 PRO HA H 1 4.400 0.025 A 56 PRO HBy H 1 2.258 0.025 A 56 PRO HBx H 1 1.926 0.025 A 56 PRO HDy H 1 3.801 0.025 A 56 PRO HDx H 1 3.679 0.025 A 56 PRO HGx H 1 2.030 0.025 A 56 PRO HGy H 1 2.030 0.025 A 56 PRO C C 13 176.686 0.3 A 56 PRO CA C 13 63.273 0.3 A 56 PRO CB C 13 31.783 0.3 A 56 PRO CD C 13 50.480 0.3 A 56 PRO CG C 13 27.447 0.3 A 57 CYS H H 1 7.831 0.025 A 57 CYS HA H 1 4.443 0.025 A 57 CYS HBx H 1 2.033 0.025 A 57 CYS HBy H 1 2.034 0.025 A 57 CYS C C 13 173.881 0.3 A 57 CYS CA C 13 59.103 0.3 A 57 CYS CB C 13 32.909 0.3 A 57 CYS N N 15 119.502 0.3 A 59 PRO HA H 1 4.385 0.025 A 59 PRO HBx H 1 1.904 0.025 A 59 PRO HBy H 1 2.350 0.025 A 59 PRO HDy H 1 3.845 0.025 A 59 PRO HDx H 1 3.587 0.025 A 59 PRO HGy H 1 2.159 0.025 A 59 PRO HGx H 1 2.056 0.025 A 59 PRO C C 13 177.996 0.3 A 59 PRO CA C 13 64.249 0.3 A 59 PRO CB C 13 31.776 0.3 A 59 PRO CD C 13 50.402 0.3 A 59 PRO CG C 13 27.782 0.3 A 60 GLY H H 1 8.761 0.025 A 60 GLY HAy H 1 4.302 0.025 A 60 GLY HAx H 1 3.619 0.025 A 60 GLY C C 13 173.861 0.3 A 60 GLY CA C 13 44.888 0.3 A 60 GLY N N 15 112.485 0.3 A 61 TYR H H 1 8.522 0.025 A 61 TYR HA H 1 5.083 0.025 A 61 TYR HBy H 1 3.241 0.025 A 61 TYR HBx H 1 2.543 0.025 A 61 TYR HDy H 1 6.749 0.025 A 61 TYR HDx H 1 6.746 0.025 A 61 TYR HEy H 1 6.501 0.025 A 61 TYR HEx H 1 6.500 0.025 A 61 TYR C C 13 174.910 0.3 A 61 TYR CA C 13 56.152 0.3 A 61 TYR CB C 13 42.124 0.3 A 61 TYR CDx C 13 132.833 0.3 A 61 TYR CDy C 13 132.833 0.3 A 61 TYR CEx C 13 118.207 0.3 A 61 TYR CEy C 13 118.217 0.3 A 61 TYR N N 15 118.801 0.3 A 62 GLU H H 1 9.129 0.025 A 62 GLU HA H 1 4.962 0.025 A 62 GLU HBy H 1 2.123 0.025 A 62 GLU HBx H 1 1.925 0.025 A 62 GLU HGy H 1 2.247 0.025 A 62 GLU HGx H 1 2.203 0.025 A 62 GLU C C 13 173.115 0.3 A 62 GLU CA C 13 53.654 0.3 A 62 GLU CB C 13 31.928 0.3 A 62 GLU CG C 13 35.415 0.3 A 62 GLU N N 15 118.016 0.3 A 63 PRO HA H 1 4.743 0.025 A 63 PRO HBx H 1 1.967 0.025 A 63 PRO HBy H 1 2.372 0.025 A 63 PRO HDy H 1 3.877 0.025 A 63 PRO HDx H 1 3.759 0.025 A 63 PRO HGy H 1 2.262 0.025 A 63 PRO HGx H 1 2.056 0.025 A 63 PRO C C 13 177.040 0.3 A 63 PRO CA C 13 63.759 0.3 A 63 PRO CB C 13 32.352 0.3 A 63 PRO CD C 13 50.484 0.3 A 63 PRO CG C 13 28.159 0.3 A 64 ASP H H 1 8.595 0.025 A 64 ASP HA H 1 4.679 0.025 A 64 ASP HBx H 1 2.503 0.025 A 64 ASP HBy H 1 2.685 0.025 A 64 ASP C C 13 175.960 0.3 A 64 ASP CA C 13 53.790 0.3 A 64 ASP CB C 13 42.611 0.3 A 64 ASP N N 15 122.807 0.3 A 65 ASP H H 1 8.437 0.025 A 65 ASP HA H 1 4.701 0.025 A 65 ASP HBy H 1 2.727 0.025 A 65 ASP HBx H 1 2.705 0.025 A 65 ASP C C 13 176.412 0.3 A 65 ASP CA C 13 54.043 0.3 A 65 ASP CB C 13 41.279 0.3 A 65 ASP N N 15 124.473 0.3 A 66 GLN H H 1 8.316 0.025 A 66 GLN HA H 1 4.290 0.025 A 66 GLN HBy H 1 2.148 0.025 A 66 GLN HBx H 1 2.072 0.025 A 66 GLN HE2y H 1 7.774 0.025 A 66 GLN HE2x H 1 6.870 0.025 A 66 GLN HGy H 1 2.385 0.025 A 66 GLN HGx H 1 2.338 0.025 A 66 GLN C C 13 175.877 0.3 A 66 GLN CA C 13 55.992 0.3 A 66 GLN CB C 13 29.565 0.3 A 66 GLN CG C 13 34.175 0.3 A 66 GLN N N 15 120.317 0.3 A 66 GLN NE2 N 15 113.680 0.3 A 67 ASP H H 1 8.438 0.025 A 67 ASP HA H 1 4.619 0.025 A 67 ASP HBx H 1 2.644 0.025 A 67 ASP HBy H 1 2.711 0.025 A 67 ASP C C 13 176.300 0.3 A 67 ASP CA C 13 54.535 0.3 A 67 ASP CB C 13 41.210 0.3 A 67 ASP N N 15 121.942 0.3 A 68 SER H H 1 8.274 0.025 A 68 SER HA H 1 4.476 0.025 A 68 SER HBx H 1 3.869 0.025 A 68 SER HBy H 1 3.869 0.025 A 68 SER C C 13 174.516 0.3 A 68 SER CA C 13 58.615 0.3 A 68 SER CB C 13 63.911 0.3 A 68 SER N N 15 116.099 0.3 A 69 CYS H H 1 8.589 0.025 A 69 CYS HA H 1 4.719 0.025 A 69 CYS HBy H 1 3.241 0.025 A 69 CYS HBx H 1 3.050 0.025 A 69 CYS C C 13 174.437 0.3 A 69 CYS CA C 13 55.620 0.3 A 69 CYS CB C 13 40.727 0.3 A 69 CYS N N 15 120.951 0.3 A 70 VAL H H 1 8.150 0.025 A 70 VAL HA H 1 4.193 0.025 A 70 VAL HB H 1 2.112 0.025 A 70 VAL HGx% H 1 0.927 0.025 A 70 VAL HGy% H 1 0.893 0.025 A 70 VAL C C 13 174.771 0.3 A 70 VAL CA C 13 62.021 0.3 A 70 VAL CB C 13 33.168 0.3 A 70 VAL CGy C 13 21.353 0.3 A 70 VAL CGx C 13 20.144 0.3 A 70 VAL N N 15 120.979 0.3 A 71 ASP H H 1 7.987 0.025 A 71 ASP HA H 1 4.374 0.025 A 71 ASP HBy H 1 2.648 0.025 A 71 ASP HBx H 1 2.554 0.025 A 71 ASP C C 13 180.821 0.3 A 71 ASP CA C 13 55.983 0.3 A 71 ASP CB C 13 42.374 0.3 A 71 ASP N N 15 129.255 0.3 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 5 GLU HA A 5 GLU HGy 1.0 1.8 4.21 2 2 A 11 GLU HA A 11 GLU HGy 1.0 1.8 4.55 3 3 A 14 LYS HA A 14 LYS HGy 1.0 1.8 4.24 4 4 A 16 GLU HA A 16 GLU HGx 1.0 1.8 4.36 5 5 A 18 LYS HA A 18 LYS HGx 1.0 1.8 4.34 6 6 A 31 ARG HA A 31 ARG HGx 1.0 1.8 4.16 7 7 A 36 ILE HA A 36 ILE HG2% 1.0 1.8 3.86 8 8 A 62 GLU HGx A 63 PRO HA 1.0 1.8 6.33 9 9 A 5 GLU HA A 5 GLU HGx 1.0 1.8 4.37 10 10 A 14 LYS HA A 14 LYS HGx 1.0 1.8 4.24 11 11 A 16 GLU HA A 16 GLU HGy 1.0 1.8 3.99 12 12 A 18 LYS HA A 18 LYS HGy 1.0 1.8 4.55 13 13 A 16 GLU HGy A 30 PRO HA 1.0 1.8 4.16 14 14 A 31 ARG HA A 31 ARG HGy 1.0 1.8 4.04 15 15 A 62 GLU HGx A 62 GLU HA 1.0 1.8 4.62 16 16 A 66 GLN HA A 66 GLN HGx 1.0 1.8 4.53 17 17 A 29 LEU HA A 29 LEU HG 1.0 1.8 4.09 18 18 A 27 LEU HA A 27 LEU HDy% 1.0 1.8 4.01 19 19 A 36 ILE HA A 36 ILE HD1% 1.0 1.8 4.35 20 20 A 18 LYS HA A 29 LEU HG 1.0 1.8 6.33 21 21 A 26 TYR HA A 26 TYR HDx 1.0 1.8 5.24 22 22 A 40 HIS HA A 40 HIS HD2 1.0 1.8 5.23 23 23 A 61 TYR HA A 61 TYR HDy 1.0 1.8 5.53 24 24 A 61 TYR HA A 61 TYR HDx 1.0 1.8 6.07 25 25 A 3 VAL HA A 3 VAL HGx% 1.0 1.8 4.38 26 26 A 3 VAL HA A 3 VAL HGy% 1.0 1.8 4.38 27 27 A 35 VAL HA A 35 VAL HGx% 1.0 1.8 4.07 28 28 A 48 VAL HA A 48 VAL HGx% 1.0 1.8 4.27 29 29 A 70 VAL HA A 70 VAL HGx% 1.0 1.8 4.08 30 30 A 18 LYS HA A 18 LYS HEx 1.0 1.8 6.33 31 31 A 18 LYS HA A 64 ASP HBx 1.0 1.8 6.33 32 32 A 26 TYR HA A 61 TYR HDy 1.0 1.8 5.51 33 33 A 36 ILE H A 36 ILE HB 1.0 1.8 4.40 34 34 A 70 VAL H A 70 VAL HB 1.0 1.8 4.61 35 35 A 17 MET H A 17 MET HBx 1.0 1.8 4.32 36 36 A 5 GLU HBx A 7 LEU H 1.0 1.8 5.08 37 37 A 66 GLN H A 66 GLN HBy 1.0 1.8 4.61 38 38 A 12 ALA HB% A 18 LYS HBy 1.0 1.8 4.89 39 39 A 31 ARG HGy A 31 ARG HBy 1.0 1.8 2.97 40 40 A 5 GLU HGy A 5 GLU HBy 1.0 1.8 3.29 41 41 A 9 ILE HB A 9 ILE HD1% 1.0 1.8 3.83 42 42 A 36 ILE HD1% A 36 ILE HB 1.0 1.8 3.93 43 43 A 26 TYR HBy A 26 TYR HDy 1.0 1.8 4.29 44 44 A 27 LEU HBy A 27 LEU HDx% 1.0 1.8 4.38 45 45 A 30 PRO HBx A 32 SER HBx 1.0 1.8 5.13 46 46 A 30 PRO HBx A 32 SER HBy 1.0 1.8 5.13 47 47 A 39 LEU H A 39 LEU HG 1.0 1.8 5.11 48 48 A 7 LEU HG A 8 THR HA 1.0 1.8 5.66 49 49 A 66 GLN HA A 66 GLN HGy 1.0 1.8 4.38 50 50 A 11 GLU HA A 11 GLU HGx 1.0 1.8 4.55 51 51 A 17 MET HA A 17 MET HGx 1.0 1.8 4.11 52 52 A 31 ARG HGx A 31 ARG H 1.0 1.8 5.42 53 53 A 62 GLU HGx A 62 GLU H 1.0 1.8 5.13 54 54 A 14 LYS H A 14 LYS HGx 1.0 1.8 5.60 55 55 A 17 MET H A 17 MET HGy 1.0 1.8 4.95 56 56 A 31 ARG HGy A 31 ARG H 1.0 1.8 5.22 57 57 A 66 GLN HGx A 66 GLN H 1.0 1.8 4.73 58 58 A 62 GLU HBx A 62 GLU HGy 1.0 1.8 3.02 59 59 A 66 GLN HGx A 66 GLN HBy 1.0 1.8 3.44 60 60 A 5 GLU HGx A 5 GLU HBy 1.0 1.8 3.44 61 61 A 17 MET HGy A 17 MET HE% 1.0 1.8 4.21 62 62 A 27 LEU HDy% A 27 LEU HBy 1.0 1.8 4.29 63 63 A 39 LEU HDx% A 39 LEU HBx 1.0 1.8 4.73 64 64 A 17 MET HE% A 17 MET HBy 1.0 1.8 3.80 65 65 A 9 ILE HG2% A 9 ILE HG1y 1.0 1.8 3.90 66 66 A 36 ILE HG2% A 36 ILE HG1y 1.0 1.8 3.92 67 67 A 9 ILE HG2% A 9 ILE HG1x 1.0 1.8 3.82 68 68 A 36 ILE HG2% A 36 ILE HG1x 1.0 1.8 3.92 69 69 A 37 ASN H A 37 ASN HBy 1.0 1.8 4.80 70 70 A 39 LEU HBx A 39 LEU HDy% 1.0 1.8 4.73 71 71 A 18 LYS HGx A 18 LYS HEx 1.0 1.8 4.75 72 72 A 18 LYS HGy A 18 LYS HEx 1.0 1.8 4.24 73 73 A 18 LYS HGx A 18 LYS HEy 1.0 1.8 4.59 74 74 A 18 LYS HGy A 18 LYS HEy 1.0 1.8 4.35 75 75 A 7 LEU HBx A 7 LEU HDx% 1.0 1.8 3.74 76 76 A 29 LEU HBx A 29 LEU HDx% 1.0 1.8 3.82 77 77 A 39 LEU HDx% A 39 LEU HBy 1.0 1.8 4.73 78 78 A 7 LEU HBx A 7 LEU HDy% 1.0 1.8 3.74 79 79 A 29 LEU HBx A 29 LEU HDy% 1.0 1.8 3.70 80 80 A 39 LEU HBy A 39 LEU HDy% 1.0 1.8 4.73 81 81 A 7 LEU HBy A 7 LEU HDx% 1.0 1.8 3.78 82 82 A 27 LEU HDy% A 27 LEU HBx 1.0 1.8 4.32 83 83 A 29 LEU HDx% A 29 LEU HBy 1.0 1.8 3.76 84 84 A 7 LEU HBy A 7 LEU HDy% 1.0 1.8 3.78 85 85 A 27 LEU HDx% A 27 LEU HBx 1.0 1.8 3.93 86 86 A 29 LEU HDy% A 29 LEU HBy 1.0 1.8 4.13 87 87 A 31 ARG HBy A 31 ARG HDx 1.0 1.8 4.06 88 88 A 18 LYS HBx A 18 LYS HDx 1.0 1.8 4.85 89 89 A 31 ARG HBx A 31 ARG HDx 1.0 1.8 4.57 90 90 A 62 GLU HBy A 63 PRO HDy 1.0 1.8 3.43 91 91 A 31 ARG HBy A 31 ARG HDy 1.0 1.8 4.06 92 92 A 18 LYS HBx A 18 LYS HDy 1.0 1.8 4.85 93 93 A 31 ARG HBx A 31 ARG HDy 1.0 1.8 4.57 94 94 A 12 ALA HB% A 18 LYS HDx 1.0 1.8 4.93 95 95 A 12 ALA HB% A 18 LYS HDy 1.0 1.8 4.93 96 96 A 36 ILE HD1% A 54 PRO HGx 1.0 1.8 4.62 97 97 A 20 ILE HB A 20 ILE HD1% 1.0 1.8 3.91 98 98 A 20 ILE HD1% A 20 ILE HG2% 1.0 1.8 3.65 99 99 A 20 ILE HD1% A 20 ILE HA 1.0 1.8 5.18 100 100 A 23 TYR HA A 23 TYR HDx 1.0 1.8 5.75 101 101 A 29 LEU HA A 29 LEU HDx% 1.0 1.8 4.44 102 102 A 8 THR HA A 8 THR HG2% 1.0 1.8 3.91 103 103 A 9 ILE HG2% A 9 ILE HA 1.0 1.8 3.90 104 104 A 20 ILE HG2% A 20 ILE HA 1.0 1.8 4.05 105 105 A 35 VAL HA A 35 VAL HGy% 1.0 1.8 4.07 106 106 A 48 VAL HA A 48 VAL HGy% 1.0 1.8 4.27 107 107 A 70 VAL HA A 70 VAL HGy% 1.0 1.8 4.08 108 108 A 3 VAL H A 3 VAL HGy% 1.0 1.8 4.75 109 109 A 20 ILE HG2% A 20 ILE H 1.0 1.8 4.43 110 110 A 35 VAL H A 35 VAL HGy% 1.0 1.8 5.70 111 111 A 70 VAL H A 70 VAL HGy% 1.0 1.8 4.52 112 112 A 20 ILE HG2% A 20 ILE HG1x 1.0 1.8 4.45 113 113 A 20 ILE HG2% A 20 ILE HG1y 1.0 1.8 3.92 114 114 A 7 LEU H A 7 LEU HDy% 1.0 1.8 5.46 115 115 A 70 VAL H A 70 VAL HGx% 1.0 1.8 4.52 116 116 A 7 LEU H A 6 CYS HA 1.0 1.8 4.04 117 117 A 20 ILE H A 19 CYS HA 1.0 1.8 3.70 118 118 A 31 ARG HA A 33 ALA H 1.0 1.8 5.19 119 119 A 50 PRO HA A 51 ALA H 1.0 1.8 4.09 120 120 A 39 LEU H A 54 PRO HA 1.0 1.8 5.53 121 121 A 56 PRO HA A 57 CYS H 1.0 1.8 3.97 122 122 A 67 ASP HA A 68 SER H 1.0 1.8 3.89 123 123 A 68 SER HA A 69 CYS H 1.0 1.8 4.08 124 124 A 59 PRO HA A 60 GLY HAy 1.0 1.8 5.18 125 125 A 14 LYS HA A 15 GLY HAx 1.0 1.8 5.19 126 126 A 7 LEU HBy A 8 THR H 1.0 1.8 5.49 127 127 A 68 SER H A 67 ASP HBy 1.0 1.8 5.55 128 128 A 70 VAL H A 69 CYS HBx 1.0 1.8 5.27 129 129 A 7 LEU HBx A 8 THR H 1.0 1.8 5.30 130 130 A 20 ILE H A 19 CYS HBy 1.0 1.8 5.50 131 131 A 26 TYR HBx A 27 LEU H 1.0 1.8 5.31 132 132 A 26 TYR HBy A 27 LEU H 1.0 1.8 5.74 133 133 A 31 ARG HBx A 32 SER H 1.0 1.8 5.51 134 134 A 66 GLN HBy A 67 ASP H 1.0 1.8 5.19 135 135 A 70 VAL H A 69 CYS HBy 1.0 1.8 5.27 136 136 A 34 ALA H A 34 ALA HB% 1.0 1.8 4.06 137 137 A 51 ALA HB% A 52 GLN H 1.0 1.8 4.66 138 138 A 5 GLU HGy A 4 ASN H 1.0 1.8 6.33 139 139 A 16 GLU HGx A 15 GLY H 1.0 1.8 6.18 140 140 A 16 GLU HGx A 17 MET H 1.0 1.8 6.33 141 141 A 66 GLN HGy A 67 ASP H 1.0 1.8 6.33 142 142 A 16 GLU HGy A 17 MET H 1.0 1.8 5.39 143 143 A 17 MET HGx A 18 LYS H 1.0 1.8 4.77 144 144 A 54 PRO HGx A 34 ALA H 1.0 1.8 6.33 145 145 A 66 GLN HGx A 67 ASP H 1.0 1.8 5.58 146 146 A 9 ILE HD1% A 9 ILE HA 1.0 1.8 5.37 147 147 A 7 LEU HA A 7 LEU HDy% 1.0 1.8 4.92 148 148 A 27 LEU HA A 27 LEU HDx% 1.0 1.8 4.98 149 149 A 29 LEU HA A 29 LEU HDy% 1.0 1.8 3.90 150 150 A 17 MET HA A 17 MET HE% 1.0 1.8 4.99 151 151 A 17 MET HGx A 17 MET HE% 1.0 1.8 4.75 152 152 A 10 PRO HDx A 11 GLU H 1.0 1.8 6.26 153 153 A 36 ILE HD1% A 37 ASN H 1.0 1.8 4.88 154 154 A 9 ILE HD1% A 9 ILE H 1.0 1.8 5.05 155 155 A 36 ILE HD1% A 37 ASN HA 1.0 1.8 5.40 156 156 A 9 ILE HD1% A 8 THR HA 1.0 1.8 5.42 157 157 A 9 ILE HD1% A 10 PRO HDy 1.0 1.8 5.32 158 158 A 34 ALA HA A 35 VAL HGx% 1.0 1.8 4.55 159 159 A 34 ALA HB% A 35 VAL HGx% 1.0 1.8 5.38 160 160 A 29 LEU HDy% A 28 CYS HA 1.0 1.8 5.39 161 161 A 27 LEU HA A 29 LEU HDy% 1.0 1.8 5.73 162 162 A 29 LEU HDy% A 19 CYS HBy 1.0 1.8 5.38 163 163 A 29 LEU HDy% A 28 CYS HBx 1.0 1.8 6.19 164 164 A 17 MET HBy A 29 LEU HDy% 1.0 1.8 5.78 165 165 A 29 LEU HDx% A 30 PRO HDy 1.0 1.8 4.63 166 166 A 29 LEU HDx% A 19 CYS HBy 1.0 1.8 4.31 167 167 A 27 LEU HDx% A 29 LEU HDx% 1.0 1.8 4.85 168 168 A 5 GLU HGx A 7 LEU HDy% 1.0 1.8 5.36 169 169 A 5 GLU HBy A 7 LEU HDy% 1.0 1.8 6.31 170 170 A 61 TYR HDy A 27 LEU HDx% 1.0 1.8 5.80 171 171 A 61 TYR HDx A 27 LEU HDx% 1.0 1.8 6.33 172 172 A 27 LEU HDx% A 61 TYR HEy 1.0 1.8 5.14 173 173 A 27 LEU HDx% A 61 TYR HEx 1.0 1.8 5.59 174 174 A 27 LEU HDx% A 19 CYS HBy 1.0 1.8 4.39 175 175 A 27 LEU HDx% A 29 LEU HDy% 1.0 1.8 4.01 176 176 A 17 MET HE% A 18 LYS H 1.0 1.8 5.34 177 177 A 17 MET HE% A 64 ASP H 1.0 1.8 6.33 178 178 A 63 PRO HA A 17 MET HE% 1.0 1.8 5.54 179 179 A 17 MET HE% A 29 LEU HBx 1.0 1.8 4.20 180 180 A 17 MET HE% A 29 LEU HBy 1.0 1.8 4.04 181 181 A 17 MET HE% A 29 LEU HDx% 1.0 1.8 3.88 182 182 A 26 TYR HDx A 20 ILE HG2% 1.0 1.8 5.50 183 183 A 20 ILE HG2% A 19 CYS HA 1.0 1.8 5.35 184 184 A 20 ILE HG2% A 26 TYR HBx 1.0 1.8 3.97 185 185 A 18 LYS HEx A 20 ILE HG2% 1.0 1.8 3.85 186 186 A 18 LYS HEy A 20 ILE HG2% 1.0 1.8 4.58 187 187 A 9 ILE HG2% A 11 GLU HGy 1.0 1.8 5.99 188 188 A 9 ILE HG2% A 11 GLU HGx 1.0 1.8 5.99 189 189 A 20 ILE HD1% A 20 ILE H 1.0 1.8 4.99 190 190 A 20 ILE HD1% A 65 ASP H 1.0 1.8 5.98 191 191 A 26 TYR HDx A 20 ILE HD1% 1.0 1.8 5.57 192 192 A 20 ILE HD1% A 26 TYR HEy 1.0 1.8 6.33 193 193 A 20 ILE HD1% A 64 ASP HBy 1.0 1.8 5.19 194 194 A 18 LYS HEx A 20 ILE HD1% 1.0 1.8 4.99 195 195 A 18 LYS HEy A 20 ILE HD1% 1.0 1.8 4.84 196 196 A 64 ASP H A 65 ASP HA 1.0 1.8 6.22 197 197 A 20 ILE HG2% A 64 ASP HA 1.0 1.8 5.80 198 198 A 9 ILE HB A 8 THR HA 1.0 1.8 5.95 199 199 A 8 THR HA A 9 ILE HG1y 1.0 1.8 5.60 200 200 A 8 THR HG2% A 10 PRO HA 1.0 1.8 6.03 201 201 A 12 ALA HB% A 10 PRO HA 1.0 1.8 6.33 202 202 A 9 ILE HG2% A 10 PRO HA 1.0 1.8 5.40 203 203 A 11 GLU HA A 10 PRO HA 1.0 1.8 5.23 204 204 A 11 GLU HA A 12 ALA HB% 1.0 1.8 5.83 205 205 A 11 GLU HA A 9 ILE HG2% 1.0 1.8 5.51 206 206 A 12 ALA HA A 13 CYS HA 1.0 1.8 5.04 207 207 A 50 PRO HGx A 51 ALA HA 1.0 1.8 5.68 208 208 A 12 ALA HA A 11 GLU HBy 1.0 1.8 5.54 209 209 A 12 ALA HA A 11 GLU HBx 1.0 1.8 6.07 210 210 A 14 LYS HA A 13 CYS HA 1.0 1.8 5.15 211 211 A 16 GLU HA A 13 CYS HBy 1.0 1.8 5.87 212 212 A 18 LYS HBy A 17 MET HA 1.0 1.8 5.37 213 213 A 18 LYS HA A 13 CYS HBx 1.0 1.8 5.42 214 214 A 18 LYS HA A 64 ASP HBy 1.0 1.8 5.55 215 215 A 62 GLU HA A 19 CYS HA 1.0 1.8 5.99 216 216 A 19 CYS HA A 61 TYR HBy 1.0 1.8 6.33 217 217 A 19 CYS HA A 61 TYR HBx 1.0 1.8 5.39 218 218 A 64 ASP HBx A 19 CYS HA 1.0 1.8 5.81 219 219 A 18 LYS HBx A 19 CYS HA 1.0 1.8 6.01 220 220 A 19 CYS HA A 63 PRO HBy 1.0 1.8 6.27 221 221 A 18 LYS HGy A 19 CYS HA 1.0 1.8 5.62 222 222 A 61 TYR HDy A 20 ILE HA 1.0 1.8 4.63 223 223 A 20 ILE HA A 61 TYR HEy 1.0 1.8 5.22 224 224 A 26 TYR HA A 20 ILE HA 1.0 1.8 4.05 225 225 A 20 ILE HA A 19 CYS HBy 1.0 1.8 5.57 226 226 A 26 TYR HA A 61 TYR HEy 1.0 1.8 4.92 227 227 A 26 TYR HA A 20 ILE HB 1.0 1.8 5.74 228 228 A 26 TYR HA A 20 ILE HG2% 1.0 1.8 4.70 229 229 A 27 LEU HA A 26 TYR HDy 1.0 1.8 4.70 230 230 A 18 LYS HA A 28 CYS HA 1.0 1.8 4.38 231 231 A 29 LEU HG A 28 CYS HA 1.0 1.8 5.09 232 232 A 27 LEU HBx A 28 CYS HA 1.0 1.8 5.54 233 233 A 31 ARG HA A 30 PRO HA 1.0 1.8 5.05 234 234 A 30 PRO HA A 31 ARG HBy 1.0 1.8 5.18 235 235 A 30 PRO HA A 29 LEU HBx 1.0 1.8 5.84 236 236 A 30 PRO HA A 29 LEU HBy 1.0 1.8 6.22 237 237 A 31 ARG HA A 17 MET HGy 1.0 1.8 5.34 238 238 A 31 ARG HA A 17 MET HE% 1.0 1.8 4.67 239 239 A 31 ARG HBx A 32 SER HA 1.0 1.8 5.57 240 240 A 31 ARG HGx A 32 SER HA 1.0 1.8 5.77 241 241 A 32 SER HA A 33 ALA HB% 1.0 1.8 5.75 242 242 A 5 GLU HGx A 4 ASN HA 1.0 1.8 5.06 243 243 A 36 ILE HB A 37 ASN HA 1.0 1.8 6.00 244 244 A 38 ASP HA A 39 LEU HA 1.0 1.8 5.46 245 245 A 7 LEU HA A 7 LEU HDx% 1.0 1.8 4.92 246 246 A 36 ILE HD1% A 54 PRO HA 1.0 1.8 6.14 247 247 A 38 ASP HA A 39 LEU HDy% 1.0 1.8 5.07 248 248 A 56 PRO HA A 55 ASN HBx 1.0 1.8 5.77 249 249 A 56 PRO HA A 55 ASN HBy 1.0 1.8 6.33 250 250 A 56 PRO HBy A 57 CYS HA 1.0 1.8 5.07 251 251 A 59 PRO HA A 61 TYR HBy 1.0 1.8 6.33 252 252 A 61 TYR HA A 20 ILE H 1.0 1.8 5.81 253 253 A 61 TYR HA A 21 ASN HBx 1.0 1.8 4.88 254 254 A 18 LYS HA A 17 MET HBy 1.0 1.8 5.74 255 255 A 62 GLU HA A 55 ASN HD2y 1.0 1.8 4.51 256 256 A 63 PRO HA A 64 ASP HBy 1.0 1.8 5.61 257 257 A 66 GLN HA A 65 ASP HBy 1.0 1.8 6.33 258 258 A 66 GLN HA A 65 ASP HBx 1.0 1.8 6.33 259 259 A 51 ALA HB% A 52 GLN HA 1.0 1.8 5.84 260 260 A 16 GLU HGx A 15 GLY HAy 1.0 1.8 5.58 261 261 A 15 GLY HAy A 14 LYS HBy 1.0 1.8 6.33 262 262 A 15 GLY HAy A 14 LYS HGy 1.0 1.8 6.33 263 263 A 15 GLY HAy A 14 LYS HGx 1.0 1.8 6.33 264 264 A 21 ASN H A 24 GLY HAx 1.0 1.8 6.33 265 265 A 61 TYR HDx A 60 GLY HAy 1.0 1.8 5.66 266 266 A 15 GLY HAx A 14 LYS HBy 1.0 1.8 5.57 267 267 A 21 ASN H A 24 GLY HAy 1.0 1.8 4.83 268 268 A 20 ILE HD1% A 24 GLY HAy 1.0 1.8 5.84 269 269 A 61 TYR HDx A 60 GLY HAx 1.0 1.8 5.77 270 270 A 9 ILE HB A 10 PRO HDx 1.0 1.8 5.72 271 271 A 9 ILE HB A 10 PRO HDy 1.0 1.8 4.86 272 272 A 12 ALA HB% A 14 LYS H 1.0 1.8 5.78 273 273 A 12 ALA HB% A 66 GLN HE2y 1.0 1.8 5.55 274 274 A 12 ALA HB% A 13 CYS HA 1.0 1.8 4.99 275 275 A 14 LYS HA A 12 ALA HB% 1.0 1.8 6.33 276 276 A 12 ALA HB% A 13 CYS HBx 1.0 1.8 5.18 277 277 A 12 ALA HB% A 64 ASP HBy 1.0 1.8 5.50 278 278 A 18 LYS HEx A 12 ALA HB% 1.0 1.8 5.58 279 279 A 12 ALA HB% A 18 LYS HEy 1.0 1.8 5.67 280 280 A 12 ALA HB% A 11 GLU HBy 1.0 1.8 5.34 281 281 A 20 ILE HB A 21 ASN H 1.0 1.8 5.51 282 282 A 35 VAL HA A 34 ALA HB% 1.0 1.8 5.69 283 283 A 51 ALA HB% A 50 PRO HGx 1.0 1.8 4.55 284 284 A 34 ALA HB% A 35 VAL HGy% 1.0 1.8 5.38 285 285 A 16 GLU HGy A 13 CYS HBy 1.0 1.8 5.70 286 286 A 13 CYS HBy A 16 GLU HBy 1.0 1.8 5.21 287 287 A 18 LYS HBy A 13 CYS HBy 1.0 1.8 6.33 288 288 A 14 LYS HBx A 14 LYS HEy 1.0 1.8 5.99 289 289 A 17 MET HBx A 29 LEU H 1.0 1.8 5.37 290 290 A 31 ARG HA A 17 MET HBx 1.0 1.8 6.22 291 291 A 17 MET HBx A 29 LEU HBx 1.0 1.8 5.90 292 292 A 17 MET HBx A 29 LEU HDx% 1.0 1.8 5.74 293 293 A 18 LYS HBx A 64 ASP HA 1.0 1.8 6.28 294 294 A 61 TYR HDy A 19 CYS HBy 1.0 1.8 5.12 295 295 A 18 LYS HA A 19 CYS HBy 1.0 1.8 5.45 296 296 A 19 CYS HBy A 27 LEU HG 1.0 1.8 5.38 297 297 A 20 ILE HA A 26 TYR HBx 1.0 1.8 6.07 298 298 A 18 LYS HEx A 26 TYR HBx 1.0 1.8 4.80 299 299 A 18 LYS HEy A 26 TYR HBx 1.0 1.8 6.33 300 300 A 20 ILE HD1% A 26 TYR HBx 1.0 1.8 6.33 301 301 A 27 LEU HBy A 19 CYS HBy 1.0 1.8 5.09 302 302 A 27 LEU HBy A 29 LEU HDx% 1.0 1.8 5.45 303 303 A 27 LEU HBy A 29 LEU HDy% 1.0 1.8 5.66 304 304 A 27 LEU HA A 28 CYS HBx 1.0 1.8 5.70 305 305 A 17 MET HGy A 29 LEU HBx 1.0 1.8 5.82 306 306 A 8 THR HG2% A 10 PRO HBx 1.0 1.8 6.33 307 307 A 12 ALA HB% A 10 PRO HBx 1.0 1.8 6.33 308 308 A 16 GLU HA A 31 ARG HBx 1.0 1.8 5.15 309 309 A 30 PRO HGx A 32 SER HBx 1.0 1.8 6.33 310 310 A 30 PRO HGx A 32 SER HBy 1.0 1.8 6.33 311 311 A 33 ALA HB% A 32 SER HBx 1.0 1.8 6.33 312 312 A 33 ALA HB% A 32 SER HBy 1.0 1.8 6.33 313 313 A 5 GLU HBx A 7 LEU HBy 1.0 1.8 5.49 314 314 A 5 GLU HBx A 7 LEU HG 1.0 1.8 6.10 315 315 A 5 GLU HBx A 7 LEU HBx 1.0 1.8 5.66 316 316 A 63 PRO HBy A 53 HIS HBx 1.0 1.8 6.33 317 317 A 61 TYR HBy A 60 GLY HAx 1.0 1.8 5.81 318 318 A 61 TYR HBy A 19 CYS HBx 1.0 1.8 4.20 319 319 A 62 GLU HBx A 63 PRO HDy 1.0 1.8 4.55 320 320 A 64 ASP HBx A 18 LYS HBx 1.0 1.8 4.85 321 321 A 64 ASP HBx A 20 ILE HG1x 1.0 1.8 6.33 322 322 A 64 ASP HBx A 20 ILE HG2% 1.0 1.8 4.36 323 323 A 64 ASP HBx A 20 ILE HD1% 1.0 1.8 4.75 324 324 A 5 GLU HBy A 7 LEU HBy 1.0 1.8 5.22 325 325 A 5 GLU HBy A 7 LEU HDx% 1.0 1.8 6.31 326 326 A 7 LEU HBy A 8 THR HG2% 1.0 1.8 6.33 327 327 A 13 CYS HBx A 16 GLU HBx 1.0 1.8 5.60 328 328 A 18 LYS HBx A 13 CYS HBx 1.0 1.8 6.33 329 329 A 13 CYS HBx A 16 GLU HBy 1.0 1.8 4.93 330 330 A 31 ARG HA A 17 MET HBy 1.0 1.8 5.19 331 331 A 17 MET HBy A 29 LEU HBx 1.0 1.8 4.93 332 332 A 18 LYS HBy A 13 CYS HBx 1.0 1.8 5.55 333 333 A 18 LYS HBy A 64 ASP HBy 1.0 1.8 4.82 334 334 A 18 LYS HEx A 18 LYS HBy 1.0 1.8 5.47 335 335 A 61 TYR HDy A 19 CYS HBx 1.0 1.8 4.90 336 336 A 61 TYR HA A 19 CYS HBx 1.0 1.8 5.84 337 337 A 27 LEU HBy A 19 CYS HBx 1.0 1.8 5.45 338 338 A 27 LEU HG A 19 CYS HBx 1.0 1.8 5.93 339 339 A 29 LEU HDx% A 19 CYS HBx 1.0 1.8 5.55 340 340 A 27 LEU HDx% A 19 CYS HBx 1.0 1.8 5.53 341 341 A 29 LEU HDy% A 27 LEU HBx 1.0 1.8 4.81 342 342 A 16 GLU HBx A 28 CYS HBy 1.0 1.8 5.16 343 343 A 16 GLU HBy A 28 CYS HBy 1.0 1.8 5.07 344 344 A 29 LEU HBy A 28 CYS HA 1.0 1.8 5.44 345 345 A 17 MET HA A 29 LEU HBy 1.0 1.8 6.05 346 346 A 17 MET HBy A 29 LEU HBy 1.0 1.8 4.97 347 347 A 19 CYS HBy A 61 TYR HBx 1.0 1.8 4.44 348 348 A 61 TYR HBx A 19 CYS HBx 1.0 1.8 4.19 349 349 A 29 LEU HDx% A 61 TYR HBx 1.0 1.8 6.33 350 350 A 18 LYS HBx A 64 ASP HBy 1.0 1.8 4.73 351 351 A 64 ASP HBy A 18 LYS HDx 1.0 1.8 5.65 352 352 A 20 ILE HG2% A 64 ASP HBy 1.0 1.8 4.67 353 353 A 29 LEU HG A 30 PRO HDy 1.0 1.8 5.47 354 354 A 29 LEU HG A 17 MET HE% 1.0 1.8 5.14 355 355 A 29 LEU HG A 27 LEU HDx% 1.0 1.8 5.12 356 356 A 9 ILE HG1y A 9 ILE HA 1.0 1.8 4.80 357 357 A 9 ILE HG1x A 9 ILE H 1.0 1.8 4.62 358 358 A 20 ILE HG1y A 64 ASP HA 1.0 1.8 5.43 359 359 A 64 ASP HBx A 20 ILE HG1y 1.0 1.8 5.66 360 360 A 34 ALA HA A 35 VAL HGy% 1.0 1.8 4.55 361 361 A 71 ASP H A 70 VAL HGy% 1.0 1.8 5.24 362 362 A 31 ARG H A 30 PRO HGx 1.0 1.8 5.60 363 363 A 32 SER H A 30 PRO HGx 1.0 1.8 5.47 364 364 A 29 LEU HBx A 30 PRO HGx 1.0 1.8 4.60 365 365 A 5 GLU HGx A 7 LEU HG 1.0 1.8 6.33 366 366 A 5 GLU HGx A 7 LEU HDx% 1.0 1.8 5.36 367 367 A 16 GLU HGx A 13 CYS HBx 1.0 1.8 5.68 368 368 A 17 MET HGy A 29 LEU HBy 1.0 1.8 5.24 369 369 A 18 LYS HGx A 26 TYR HDx 1.0 1.8 5.30 370 370 A 18 LYS HGx A 26 TYR HBx 1.0 1.8 5.91 371 371 A 18 LYS HGx A 64 ASP HBy 1.0 1.8 5.58 372 372 A 16 GLU HA A 31 ARG HGx 1.0 1.8 6.33 373 373 A 31 ARG HGx A 17 MET HGy 1.0 1.8 5.88 374 374 A 54 PRO HGy A 55 ASN HA 1.0 1.8 5.01 375 375 A 62 GLU HGx A 63 PRO HDx 1.0 1.8 5.36 376 376 A 62 GLU HGx A 63 PRO HDy 1.0 1.8 5.46 377 377 A 62 GLU HGx A 20 ILE HG1x 1.0 1.8 5.26 378 378 A 62 GLU HGx A 20 ILE HG1y 1.0 1.8 5.69 379 379 A 62 GLU HGx A 20 ILE HG2% 1.0 1.8 6.33 380 380 A 62 GLU HA A 63 PRO HGy 1.0 1.8 6.33 381 381 A 66 GLN HGy A 65 ASP HA 1.0 1.8 5.31 382 382 A 16 GLU HGy A 13 CYS HBx 1.0 1.8 6.33 383 383 A 18 LYS HGy A 64 ASP HBx 1.0 1.8 5.60 384 384 A 31 ARG HGy A 32 SER H 1.0 1.8 6.33 385 385 A 31 ARG HGy A 33 ALA H 1.0 1.8 6.33 386 386 A 16 GLU HA A 31 ARG HGy 1.0 1.8 5.06 387 387 A 54 PRO HGx A 33 ALA HB% 1.0 1.8 6.33 388 388 A 54 PRO HGx A 34 ALA HB% 1.0 1.8 6.33 389 389 A 62 GLU HGy A 64 ASP HA 1.0 1.8 6.33 390 390 A 62 GLU HGy A 63 PRO HDx 1.0 1.8 6.33 391 391 A 62 GLU HGy A 63 PRO HDy 1.0 1.8 5.53 392 392 A 62 GLU HGy A 20 ILE HG1y 1.0 1.8 5.64 393 393 A 62 GLU HGy A 20 ILE HG2% 1.0 1.8 6.33 394 394 A 66 GLN HGx A 67 ASP HA 1.0 1.8 5.42 395 395 A 66 GLN HGx A 12 ALA HB% 1.0 1.8 5.62 396 396 A 27 LEU HDy% A 19 CYS H 1.0 1.8 6.33 397 397 A 27 LEU HDy% A 26 TYR H 1.0 1.8 5.77 398 398 A 27 LEU HDy% A 61 TYR HEy 1.0 1.8 5.11 399 399 A 27 LEU HDy% A 26 TYR HBy 1.0 1.8 5.14 400 400 A 38 ASP HA A 39 LEU HDx% 1.0 1.8 5.07 401 401 A 9 ILE HA A 10 PRO HDx 1.0 1.8 3.16 402 402 A 8 THR HG2% A 10 PRO HDx 1.0 1.8 5.93 403 403 A 9 ILE HG2% A 10 PRO HDx 1.0 1.8 4.28 404 404 A 18 LYS HA A 18 LYS HDy 1.0 1.8 5.87 405 405 A 64 ASP HBy A 18 LYS HDy 1.0 1.8 5.65 406 406 A 29 LEU HA A 30 PRO HDy 1.0 1.8 3.43 407 407 A 29 LEU HBx A 30 PRO HDy 1.0 1.8 4.28 408 408 A 29 LEU HBy A 30 PRO HDy 1.0 1.8 4.88 409 409 A 29 LEU HDy% A 30 PRO HDy 1.0 1.8 4.34 410 410 A 62 GLU HA A 63 PRO HDx 1.0 1.8 3.20 411 411 A 35 VAL HA A 54 PRO HDx 1.0 1.8 5.68 412 412 A 35 VAL HA A 54 PRO HDy 1.0 1.8 5.68 413 413 A 55 ASN HBx A 63 PRO HDx 1.0 1.8 5.23 414 414 A 9 ILE HA A 10 PRO HDy 1.0 1.8 3.48 415 415 A 9 ILE HG2% A 10 PRO HDy 1.0 1.8 4.16 416 416 A 18 LYS HA A 18 LYS HDx 1.0 1.8 5.87 417 417 A 29 LEU HA A 30 PRO HDx 1.0 1.8 3.61 418 418 A 29 LEU HBx A 30 PRO HDx 1.0 1.8 4.00 419 419 A 29 LEU HBy A 30 PRO HDx 1.0 1.8 5.37 420 420 A 29 LEU HDy% A 30 PRO HDx 1.0 1.8 4.05 421 421 A 63 PRO HDy A 55 ASN HD2y 1.0 1.8 5.66 422 422 A 62 GLU HA A 63 PRO HDy 1.0 1.8 3.65 423 423 A 14 LYS HBx A 14 LYS HEx 1.0 1.8 5.99 424 424 A 26 TYR HDx A 18 LYS HEx 1.0 1.8 5.30 425 425 A 18 LYS HEx A 18 LYS HBx 1.0 1.8 5.80 426 426 A 18 LYS HEx A 20 ILE HB 1.0 1.8 6.22 427 427 A 26 TYR HDx A 18 LYS HEy 1.0 1.8 5.06 428 428 A 18 LYS HEy A 18 LYS HBx 1.0 1.8 5.31 429 429 A 18 LYS HEy A 20 ILE HB 1.0 1.8 5.85 430 430 A 26 TYR HA A 26 TYR HEy 1.0 1.8 5.98 431 431 A 26 TYR HBx A 26 TYR HEy 1.0 1.8 5.93 432 432 A 18 LYS HGx A 26 TYR HEy 1.0 1.8 5.61 433 433 A 19 CYS HBy A 61 TYR HEy 1.0 1.8 6.33 434 434 A 61 TYR HEy A 21 ASN HBx 1.0 1.8 6.12 435 435 A 61 TYR HEx A 21 ASN HBx 1.0 1.8 6.33 436 436 A 27 LEU HBy A 61 TYR HEy 1.0 1.8 6.33 437 437 A 61 TYR HEy A 27 LEU HG 1.0 1.8 4.91 438 438 A 61 TYR HEy A 21 ASN HBy 1.0 1.8 6.33 439 439 A 19 CYS HBy A 61 TYR HBy 1.0 1.8 5.22 440 440 A 12 ALA HB% A 26 TYR HEy 1.0 1.8 5.11 441 441 A 18 LYS HGy A 26 TYR HEy 1.0 1.8 5.69 442 442 A 23 TYR HA A 23 TYR HEy 1.0 1.8 4.99 443 443 A 20 ILE HD1% A 64 ASP HA 1.0 1.8 4.82 444 444 A 27 LEU HDx% A 19 CYS H 1.0 1.8 5.77 445 445 A 20 ILE HD1% A 21 ASN H 1.0 1.8 5.36 446 446 A 20 ILE HG2% A 19 CYS H 1.0 1.8 5.57 447 447 A 27 LEU HBx A 19 CYS HBy 1.0 1.8 4.85 448 448 A 12 ALA HB% A 66 GLN HE2x 1.0 1.8 4.59 449 449 A 63 PRO HA A 19 CYS HA 1.0 1.8 4.03 450 450 A 55 ASN HA A 63 PRO HDx 1.0 1.8 3.60 451 451 A 55 ASN HA A 63 PRO HGy 1.0 1.8 5.77 452 452 A 55 ASN HA A 63 PRO HGx 1.0 1.8 4.84 453 453 A 61 TYR HDy A 21 ASN HBx 1.0 1.8 5.85 454 454 A 62 GLU H A 21 ASN HA 1.0 1.8 5.38 455 455 A 61 TYR HA A 21 ASN HA 1.0 1.8 4.32 456 456 A 29 LEU HDy% A 19 CYS H 1.0 1.8 6.07 457 457 A 62 GLU H A 20 ILE H 1.0 1.8 4.04 458 458 A 61 TYR HDy A 62 GLU H 1.0 1.8 5.13 459 459 A 62 GLU H A 19 CYS HA 1.0 1.8 5.34 460 460 A 61 TYR HA A 62 GLU H 1.0 1.8 3.62 461 461 A 62 GLU H A 61 TYR HBy 1.0 1.8 4.75 462 462 A 62 GLU H A 19 CYS HBx 1.0 1.8 5.11 463 463 A 62 GLU H A 21 ASN HBx 1.0 1.8 5.81 464 464 A 62 GLU H A 61 TYR HBx 1.0 1.8 4.38 465 465 A 62 GLU H A 62 GLU HGy 1.0 1.8 4.24 466 466 A 62 GLU H A 62 GLU HBy 1.0 1.8 4.75 467 467 A 62 GLU H A 20 ILE HG1x 1.0 1.8 5.53 468 468 A 62 GLU H A 20 ILE HG2% 1.0 1.8 6.14 469 469 A 14 LYS H A 15 GLY H 1.0 1.8 5.62 470 470 A 14 LYS HA A 15 GLY H 1.0 1.8 3.98 471 471 A 15 GLY H A 14 LYS HBx 1.0 1.8 5.27 472 472 A 15 GLY H A 14 LYS HBy 1.0 1.8 5.58 473 473 A 15 GLY H A 14 LYS HGy 1.0 1.8 6.27 474 474 A 15 GLY H A 14 LYS HGx 1.0 1.8 6.27 475 475 A 12 ALA HA A 13 CYS H 1.0 1.8 4.07 476 476 A 13 CYS HBy A 13 CYS H 1.0 1.8 4.81 477 477 A 12 ALA HB% A 13 CYS H 1.0 1.8 4.34 478 478 A 60 GLY H A 61 TYR H 1.0 1.8 4.68 479 479 A 59 PRO HA A 60 GLY H 1.0 1.8 3.78 480 480 A 27 LEU H A 28 CYS H 1.0 1.8 5.57 481 481 A 26 TYR HDy A 27 LEU H 1.0 1.8 5.27 482 482 A 26 TYR HDx A 27 LEU H 1.0 1.8 5.78 483 483 A 27 LEU H A 61 TYR HEy 1.0 1.8 5.81 484 484 A 26 TYR HA A 27 LEU H 1.0 1.8 3.63 485 485 A 20 ILE HA A 27 LEU H 1.0 1.8 4.82 486 486 A 27 LEU HBy A 27 LEU H 1.0 1.8 4.52 487 487 A 27 LEU H A 27 LEU HG 1.0 1.8 3.86 488 488 A 27 LEU HDy% A 27 LEU H 1.0 1.8 5.53 489 489 A 27 LEU HDx% A 27 LEU H 1.0 1.8 5.42 490 490 A 28 CYS HA A 19 CYS H 1.0 1.8 4.78 491 491 A 18 LYS HA A 19 CYS H 1.0 1.8 3.44 492 492 A 19 CYS HBy A 19 CYS H 1.0 1.8 3.86 493 493 A 18 LYS HBx A 19 CYS H 1.0 1.8 5.37 494 494 A 18 LYS HBy A 19 CYS H 1.0 1.8 4.96 495 495 A 18 LYS HGx A 19 CYS H 1.0 1.8 4.93 496 496 A 27 LEU HBy A 19 CYS H 1.0 1.8 5.18 497 497 A 18 LYS HGy A 19 CYS H 1.0 1.8 4.27 498 498 A 29 LEU HDx% A 19 CYS H 1.0 1.8 5.49 499 499 A 17 MET HA A 18 LYS H 1.0 1.8 3.32 500 500 A 18 LYS H A 64 ASP HBy 1.0 1.8 5.22 501 501 A 17 MET HBx A 18 LYS H 1.0 1.8 4.17 502 502 A 18 LYS HBx A 18 LYS H 1.0 1.8 4.40 503 503 A 17 MET HBy A 18 LYS H 1.0 1.8 4.62 504 504 A 18 LYS HBy A 18 LYS H 1.0 1.8 4.00 505 505 A 18 LYS HGy A 18 LYS H 1.0 1.8 5.21 506 506 A 33 ALA H A 32 SER HA 1.0 1.8 4.05 507 507 A 33 ALA H A 32 SER HBx 1.0 1.8 5.82 508 508 A 33 ALA H A 32 SER HBy 1.0 1.8 5.82 509 509 A 33 ALA H A 33 ALA HB% 1.0 1.8 4.16 510 510 A 35 VAL HA A 36 ILE H 1.0 1.8 3.30 511 511 A 36 ILE H A 35 VAL HB 1.0 1.8 5.27 512 512 A 36 ILE H A 36 ILE HG1y 1.0 1.8 4.66 513 513 A 36 ILE H A 36 ILE HG1x 1.0 1.8 4.66 514 514 A 36 ILE HG2% A 36 ILE H 1.0 1.8 4.14 515 515 A 65 ASP H A 64 ASP HA 1.0 1.8 3.22 516 516 A 66 GLN HA A 65 ASP H 1.0 1.8 6.16 517 517 A 65 ASP H A 65 ASP HBy 1.0 1.8 3.53 518 518 A 64 ASP HBx A 65 ASP H 1.0 1.8 4.84 519 519 A 65 ASP H A 63 PRO HBx 1.0 1.8 6.33 520 520 A 66 GLN HGy A 65 ASP H 1.0 1.8 6.33 521 521 A 65 ASP H A 66 GLN HBx 1.0 1.8 6.33 522 522 A 20 ILE H A 64 ASP H 1.0 1.8 5.01 523 523 A 18 LYS H A 64 ASP H 1.0 1.8 5.46 524 524 A 19 CYS HA A 64 ASP H 1.0 1.8 4.30 525 525 A 63 PRO HA A 64 ASP H 1.0 1.8 3.23 526 526 A 64 ASP H A 64 ASP HBy 1.0 1.8 3.68 527 527 A 64 ASP HBx A 64 ASP H 1.0 1.8 3.73 528 528 A 64 ASP H A 63 PRO HBy 1.0 1.8 4.77 529 529 A 18 LYS HBy A 64 ASP H 1.0 1.8 6.20 530 530 A 20 ILE HG2% A 64 ASP H 1.0 1.8 5.55 531 531 A 36 ILE H A 37 ASN H 1.0 1.8 5.81 532 532 A 37 ASN H A 38 ASP H 1.0 1.8 6.33 533 533 A 36 ILE HA A 37 ASN H 1.0 1.8 3.91 534 534 A 37 ASN H A 37 ASN HBx 1.0 1.8 4.80 535 535 A 36 ILE HB A 37 ASN H 1.0 1.8 5.36 536 536 A 36 ILE HG2% A 37 ASN H 1.0 1.8 5.00 537 537 A 17 MET H A 16 GLU H 1.0 1.8 5.45 538 538 A 16 GLU HA A 17 MET H 1.0 1.8 3.88 539 539 A 17 MET H A 28 CYS HBy 1.0 1.8 6.33 540 540 A 17 MET H A 16 GLU HBx 1.0 1.8 3.78 541 541 A 17 MET H A 17 MET HE% 1.0 1.8 4.91 542 542 A 17 MET H A 17 MET HBy 1.0 1.8 4.19 543 543 A 17 MET H A 16 GLU HBy 1.0 1.8 4.08 544 544 A 17 MET H A 29 LEU HBy 1.0 1.8 5.57 545 545 A 26 TYR HDy A 28 CYS H 1.0 1.8 5.73 546 546 A 27 LEU HA A 28 CYS H 1.0 1.8 3.29 547 547 A 28 CYS HBy A 28 CYS H 1.0 1.8 4.26 548 548 A 28 CYS HBx A 28 CYS H 1.0 1.8 3.85 549 549 A 27 LEU HBy A 28 CYS H 1.0 1.8 4.53 550 550 A 27 LEU HBx A 28 CYS H 1.0 1.8 4.15 551 551 A 29 LEU HDy% A 28 CYS H 1.0 1.8 5.06 552 552 A 27 LEU HDy% A 28 CYS H 1.0 1.8 4.83 553 553 A 27 LEU HDx% A 28 CYS H 1.0 1.8 5.50 554 554 A 30 PRO HA A 31 ARG H 1.0 1.8 3.32 555 555 A 31 ARG H A 30 PRO HBy 1.0 1.8 4.36 556 556 A 16 GLU HGy A 31 ARG H 1.0 1.8 4.83 557 557 A 31 ARG HBy A 31 ARG H 1.0 1.8 3.65 558 558 A 5 GLU HA A 6 CYS H 1.0 1.8 3.65 559 559 A 6 CYS H A 6 CYS HBy 1.0 1.8 4.34 560 560 A 6 CYS H A 6 CYS HBx 1.0 1.8 4.34 561 561 A 5 GLU HGy A 6 CYS H 1.0 1.8 5.57 562 562 A 5 GLU HGx A 6 CYS H 1.0 1.8 6.14 563 563 A 5 GLU HBy A 6 CYS H 1.0 1.8 4.82 564 564 A 61 TYR HDx A 61 TYR H 1.0 1.8 4.15 565 565 A 59 PRO HA A 61 TYR H 1.0 1.8 4.58 566 566 A 61 TYR HBy A 61 TYR H 1.0 1.8 4.09 567 567 A 21 ASN HBx A 61 TYR H 1.0 1.8 5.52 568 568 A 61 TYR HBx A 61 TYR H 1.0 1.8 4.45 569 569 A 52 GLN H A 52 GLN HGx 1.0 1.8 6.08 570 570 A 52 GLN H A 52 GLN HGy 1.0 1.8 6.08 571 571 A 26 TYR HDy A 26 TYR H 1.0 1.8 5.20 572 572 A 26 TYR HBy A 26 TYR H 1.0 1.8 4.76 573 573 A 27 LEU HG A 26 TYR H 1.0 1.8 5.60 574 574 A 31 ARG H A 32 SER H 1.0 1.8 5.22 575 575 A 31 ARG HA A 32 SER H 1.0 1.8 3.91 576 576 A 30 PRO HBx A 32 SER H 1.0 1.8 4.77 577 577 A 31 ARG HBy A 32 SER H 1.0 1.8 5.32 578 578 A 66 GLN HA A 68 SER H 1.0 1.8 5.97 579 579 A 68 SER H A 67 ASP HBx 1.0 1.8 5.55 580 580 A 15 GLY H A 16 GLU H 1.0 1.8 4.35 581 581 A 13 CYS HA A 16 GLU H 1.0 1.8 5.92 582 582 A 14 LYS HA A 16 GLU H 1.0 1.8 4.74 583 583 A 13 CYS HBx A 16 GLU H 1.0 1.8 4.90 584 584 A 13 CYS HBy A 16 GLU H 1.0 1.8 5.11 585 585 A 16 GLU HBx A 16 GLU H 1.0 1.8 4.59 586 586 A 16 GLU HGy A 16 GLU H 1.0 1.8 4.49 587 587 A 14 LYS HBy A 16 GLU H 1.0 1.8 6.00 588 588 A 16 GLU HBy A 16 GLU H 1.0 1.8 4.04 589 589 A 35 VAL H A 34 ALA HA 1.0 1.8 3.48 590 590 A 35 VAL H A 35 VAL HB 1.0 1.8 4.59 591 591 A 35 VAL H A 34 ALA HB% 1.0 1.8 4.40 592 592 A 35 VAL H A 35 VAL HGx% 1.0 1.8 5.70 593 593 A 3 VAL H A 3 VAL HB 1.0 1.8 4.09 594 594 A 3 VAL H A 3 VAL HGx% 1.0 1.8 4.75 595 595 A 66 GLN H A 65 ASP HA 1.0 1.8 3.77 596 596 A 66 GLN H A 65 ASP HBx 1.0 1.8 4.31 597 597 A 66 GLN H A 66 GLN HGy 1.0 1.8 4.11 598 598 A 66 GLN H A 66 GLN HBx 1.0 1.8 3.83 599 599 A 42 GLU H A 42 GLU HGx 1.0 1.8 6.06 600 600 A 42 GLU H A 42 GLU HGy 1.0 1.8 6.06 601 601 A 39 LEU HA A 38 ASP H 1.0 1.8 6.33 602 602 A 14 LYS H A 13 CYS H 1.0 1.8 5.39 603 603 A 14 LYS H A 13 CYS HA 1.0 1.8 3.90 604 604 A 14 LYS H A 13 CYS HBx 1.0 1.8 5.27 605 605 A 14 LYS H A 13 CYS HBy 1.0 1.8 5.54 606 606 A 14 LYS H A 14 LYS HBx 1.0 1.8 3.63 607 607 A 14 LYS H A 14 LYS HBy 1.0 1.8 3.91 608 608 A 14 LYS H A 14 LYS HGy 1.0 1.8 5.60 609 609 A 68 SER H A 67 ASP H 1.0 1.8 4.34 610 610 A 4 ASN HA A 5 GLU H 1.0 1.8 3.54 611 611 A 66 GLN HA A 67 ASP H 1.0 1.8 3.45 612 612 A 5 GLU HGy A 5 GLU H 1.0 1.8 4.74 613 613 A 5 GLU HGx A 5 GLU H 1.0 1.8 4.98 614 614 A 5 GLU HBx A 5 GLU H 1.0 1.8 3.85 615 615 A 5 GLU HA A 4 ASN H 1.0 1.8 5.89 616 616 A 3 VAL HA A 4 ASN H 1.0 1.8 3.69 617 617 A 4 ASN H A 3 VAL HB 1.0 1.8 5.14 618 618 A 4 ASN H A 3 VAL HGx% 1.0 1.8 5.72 619 619 A 4 ASN H A 3 VAL HGy% 1.0 1.8 5.72 620 620 A 68 SER H A 69 CYS H 1.0 1.8 4.89 621 621 A 70 VAL H A 69 CYS H 1.0 1.8 4.77 622 622 A 69 CYS H A 68 SER HBx 1.0 1.8 5.51 623 623 A 69 CYS H A 68 SER HBy 1.0 1.8 5.51 624 624 A 69 CYS H A 69 CYS HBy 1.0 1.8 4.35 625 625 A 69 CYS H A 69 CYS HBx 1.0 1.8 4.35 626 626 A 11 GLU H A 10 PRO HA 1.0 1.8 3.52 627 627 A 11 GLU H A 10 PRO HDy 1.0 1.8 6.04 628 628 A 11 GLU H A 11 GLU HBy 1.0 1.8 3.53 629 629 A 9 ILE HG2% A 11 GLU H 1.0 1.8 4.99 630 630 A 11 GLU HBy A 12 ALA H 1.0 1.8 4.98 631 631 A 12 ALA HB% A 12 ALA H 1.0 1.8 4.04 632 632 A 34 ALA H A 33 ALA HA 1.0 1.8 3.89 633 633 A 34 ALA H A 33 ALA HB% 1.0 1.8 4.40 634 634 A 39 LEU H A 38 ASP HA 1.0 1.8 3.73 635 635 A 39 LEU H A 38 ASP HBx 1.0 1.8 5.88 636 636 A 39 LEU H A 38 ASP HBy 1.0 1.8 5.88 637 637 A 39 LEU H A 39 LEU HDx% 1.0 1.8 5.77 638 638 A 39 LEU H A 39 LEU HDy% 1.0 1.8 5.77 639 639 A 7 LEU H A 6 CYS H 1.0 1.8 5.07 640 640 A 7 LEU H A 6 CYS HBy 1.0 1.8 5.01 641 641 A 7 LEU H A 6 CYS HBx 1.0 1.8 5.01 642 642 A 7 LEU H A 7 LEU HBx 1.0 1.8 4.53 643 643 A 7 LEU H A 7 LEU HG 1.0 1.8 4.80 644 644 A 7 LEU H A 8 THR HG2% 1.0 1.8 5.53 645 645 A 7 LEU H A 7 LEU HDx% 1.0 1.8 5.46 646 646 A 51 ALA H A 50 PRO HBy 1.0 1.8 5.08 647 647 A 51 ALA H A 50 PRO HBx 1.0 1.8 5.08 648 648 A 51 ALA H A 51 ALA HB% 1.0 1.8 3.90 649 649 A 17 MET H A 29 LEU H 1.0 1.8 4.61 650 650 A 28 CYS HA A 29 LEU H 1.0 1.8 3.32 651 651 A 18 LYS HA A 29 LEU H 1.0 1.8 4.91 652 652 A 17 MET HA A 29 LEU H 1.0 1.8 5.96 653 653 A 29 LEU H A 28 CYS HBy 1.0 1.8 4.75 654 654 A 28 CYS HBx A 29 LEU H 1.0 1.8 5.29 655 655 A 29 LEU H A 16 GLU HBx 1.0 1.8 4.98 656 656 A 17 MET HE% A 29 LEU H 1.0 1.8 5.89 657 657 A 17 MET HBy A 29 LEU H 1.0 1.8 5.12 658 658 A 29 LEU HG A 29 LEU H 1.0 1.8 3.98 659 659 A 29 LEU HBy A 29 LEU H 1.0 1.8 3.93 660 660 A 29 LEU HDy% A 29 LEU H 1.0 1.8 4.68 661 661 A 20 ILE H A 19 CYS HBx 1.0 1.8 5.38 662 662 A 20 ILE H A 61 TYR HBx 1.0 1.8 5.85 663 663 A 64 ASP HBx A 20 ILE H 1.0 1.8 6.33 664 664 A 20 ILE H A 20 ILE HG1x 1.0 1.8 5.39 665 665 A 20 ILE H A 20 ILE HG1y 1.0 1.8 4.81 666 666 A 26 TYR H A 25 GLY H 1.0 1.8 5.50 667 667 A 21 ASN H A 25 GLY H 1.0 1.8 4.78 668 668 A 25 GLY H A 23 TYR H 1.0 1.8 5.19 669 669 A 25 GLY H A 21 ASN HD2y 1.0 1.8 4.93 670 670 A 23 TYR HA A 25 GLY H 1.0 1.8 5.74 671 671 A 20 ILE HG2% A 25 GLY H 1.0 1.8 6.33 672 672 A 70 VAL HA A 71 ASP H 1.0 1.8 3.24 673 673 A 71 ASP H A 71 ASP HBx 1.0 1.8 4.34 674 674 A 70 VAL HB A 71 ASP H 1.0 1.8 4.77 675 675 A 71 ASP H A 70 VAL HGx% 1.0 1.8 5.24 676 676 A 8 THR HA A 9 ILE H 1.0 1.8 3.53 677 677 A 10 PRO HDx A 9 ILE H 1.0 1.8 5.81 678 678 A 9 ILE H A 10 PRO HDy 1.0 1.8 5.60 679 679 A 9 ILE HB A 9 ILE H 1.0 1.8 3.84 680 680 A 9 ILE HG1y A 9 ILE H 1.0 1.8 4.19 681 681 A 8 THR HG2% A 9 ILE H 1.0 1.8 4.54 682 682 A 9 ILE HG2% A 9 ILE H 1.0 1.8 4.47 683 683 A 7 LEU H A 8 THR H 1.0 1.8 4.43 684 684 A 8 THR H A 9 ILE H 1.0 1.8 5.49 685 685 A 6 CYS HA A 8 THR H 1.0 1.8 5.46 686 686 A 7 LEU HG A 8 THR H 1.0 1.8 5.93 687 687 A 8 THR HG2% A 8 THR H 1.0 1.8 4.14 688 688 A 66 GLN HA A 66 GLN HE2y 1.0 1.8 5.50 689 689 A 66 GLN HE2y A 66 GLN HBx 1.0 1.8 4.98 690 690 A 66 GLN HBy A 66 GLN HE2x 1.0 1.8 5.42 691 691 A 66 GLN HE2x A 66 GLN HBx 1.0 1.8 5.84 692 692 A 55 ASN HBx A 55 ASN H 1.0 1.8 4.62 693 693 A 55 ASN HBy A 55 ASN H 1.0 1.8 4.76 694 694 A 55 ASN H A 56 PRO HBx 1.0 1.8 6.33 695 695 A 63 PRO HGy A 55 ASN H 1.0 1.8 6.33 696 696 A 19 CYS HBx A 19 CYS H 1.0 1.8 4.40 697 697 A 18 LYS H A 19 CYS H 1.0 1.8 5.59 698 698 A 5 GLU H A 4 ASN HBx 1.0 1.8 4.72 699 699 A 5 GLU HBy A 5 GLU H 1.0 1.8 4.44 700 700 A 27 LEU H A 26 TYR HEx 1.0 1.8 6.33 701 701 A 27 LEU H A 26 TYR HEy 1.0 1.8 6.33 702 702 A 16 GLU HGx A 16 GLU H 1.0 1.8 4.37 703 703 A 30 PRO HBx A 31 ARG H 1.0 1.8 4.36 704 704 A 31 ARG H A 31 ARG HBx 1.0 1.8 4.54 705 705 A 9 ILE H A 8 THR HB 1.0 1.8 4.42 706 706 A 17 MET HGy A 29 LEU H 1.0 1.8 6.33 707 707 A 71 ASP H A 71 ASP HBy 1.0 1.8 4.34 708 708 A 29 LEU H A 28 CYS H 1.0 1.8 5.32 709 709 A 66 GLN H A 65 ASP H 1.0 1.8 5.11 710 710 A 13 CYS H A 12 ALA H 1.0 1.8 5.72 711 711 A 7 LEU H A 7 LEU HBy 1.0 1.8 3.65 712 712 A 64 ASP H A 63 PRO HBx 1.0 1.8 4.12 713 713 A 5 GLU H A 4 ASN HBy 1.0 1.8 4.72 714 714 A 62 GLU HGx A 55 ASN HD2x 1.0 1.8 6.33 715 715 A 55 ASN HD2y A 63 PRO HGy 1.0 1.8 5.60 716 716 A 63 PRO HDx A 55 ASN HD2x 1.0 1.8 5.22 717 717 A 55 ASN HD2y A 63 PRO HDx 1.0 1.8 5.32 718 718 A 62 GLU HBx A 55 ASN HD2x 1.0 1.8 5.51 719 719 A 62 GLU HBx A 55 ASN HD2y 1.0 1.8 6.19 720 720 A 55 ASN HBx A 55 ASN HD2x 1.0 1.8 4.24 721 721 A 5 GLU HBx A 6 CYS H 1.0 1.8 5.14 722 722 A 11 GLU H A 12 ALA H 1.0 1.8 5.38 723 723 A 26 TYR HA A 19 CYS H 1.0 1.8 5.74 724 724 A 55 ASN HD2y A 55 ASN HA 1.0 1.8 4.46 725 725 A 55 ASN HA A 55 ASN HD2x 1.0 1.8 4.93 726 726 A 62 GLU HA A 55 ASN HD2x 1.0 1.8 5.14 727 727 A 57 CYS H A 56 PRO HBy 1.0 1.8 4.42 728 728 A 2 ASP HA A 3 VAL HGx% 1.0 1.8 5.90 729 728 A 2 ASP HA A 3 VAL HGy% 1.0 1.8 5.90 730 729 A 3 VAL H A 2 ASP HBy 1.0 1.8 4.93 731 729 A 3 VAL H A 2 ASP HBx 1.0 1.8 4.93 732 730 A 3 VAL HB A 2 ASP HBy 1.0 1.8 5.55 733 730 A 3 VAL HB A 2 ASP HBx 1.0 1.8 5.55 734 731 A 2 ASP HBx A 3 VAL HGx% 1.0 1.8 5.80 735 731 A 2 ASP HBy A 3 VAL HGx% 1.0 1.8 5.80 736 731 A 3 VAL HGy% A 2 ASP HBy 1.0 1.8 5.80 737 731 A 3 VAL HGy% A 2 ASP HBx 1.0 1.8 5.80 738 732 A 3 VAL H A 3 VAL HGx% 1.0 1.8 3.73 739 732 A 3 VAL H A 3 VAL HGy% 1.0 1.8 3.73 740 733 A 4 ASN H A 3 VAL HGx% 1.0 1.8 4.99 741 733 A 4 ASN H A 3 VAL HGy% 1.0 1.8 4.99 742 734 A 4 ASN H A 4 ASN HBy 1.0 1.8 3.93 743 734 A 4 ASN H A 4 ASN HBx 1.0 1.8 3.93 744 735 A 4 ASN HA A 7 LEU HDy% 1.0 1.8 5.20 745 735 A 4 ASN HA A 7 LEU HDx% 1.0 1.8 5.20 746 736 A 4 ASN HBx A 4 ASN HD2x 1.0 1.8 3.67 747 736 A 4 ASN HBy A 4 ASN HD2x 1.0 1.8 3.67 748 736 A 4 ASN HD2y A 4 ASN HBy 1.0 1.8 3.67 749 736 A 4 ASN HBx A 4 ASN HD2y 1.0 1.8 3.67 750 737 A 5 GLU HGy A 4 ASN HBy 1.0 1.8 6.14 751 737 A 5 GLU HGy A 4 ASN HBx 1.0 1.8 6.14 752 738 A 4 ASN HBy A 7 LEU HDy% 1.0 1.8 4.62 753 738 A 4 ASN HBx A 7 LEU HDy% 1.0 1.8 4.62 754 738 A 7 LEU HDx% A 4 ASN HBy 1.0 1.8 4.62 755 738 A 4 ASN HBx A 7 LEU HDx% 1.0 1.8 4.62 756 739 A 4 ASN HD2x A 7 LEU HDy% 1.0 1.8 4.91 757 739 A 4 ASN HD2y A 7 LEU HDy% 1.0 1.8 4.91 758 739 A 7 LEU HDx% A 4 ASN HD2x 1.0 1.8 4.91 759 739 A 7 LEU HDx% A 4 ASN HD2y 1.0 1.8 4.91 760 740 A 5 GLU H A 7 LEU HDy% 1.0 1.8 5.61 761 740 A 5 GLU H A 7 LEU HDx% 1.0 1.8 5.61 762 741 A 5 GLU HA A 7 LEU HDy% 1.0 1.8 5.60 763 741 A 5 GLU HA A 7 LEU HDx% 1.0 1.8 5.60 764 742 A 5 GLU HBx A 7 LEU HDy% 1.0 1.8 5.19 765 742 A 5 GLU HBx A 7 LEU HDx% 1.0 1.8 5.19 766 743 A 5 GLU HBy A 7 LEU HDy% 1.0 1.8 4.89 767 743 A 5 GLU HBy A 7 LEU HDx% 1.0 1.8 4.89 768 744 A 5 GLU HGy A 7 LEU HDy% 1.0 1.8 5.43 769 744 A 5 GLU HGy A 7 LEU HDx% 1.0 1.8 5.43 770 745 A 5 GLU HGx A 7 LEU HDy% 1.0 1.8 4.69 771 745 A 5 GLU HGx A 7 LEU HDx% 1.0 1.8 4.69 772 746 A 6 CYS H A 6 CYS HBx 1.0 1.8 3.69 773 746 A 6 CYS H A 6 CYS HBy 1.0 1.8 3.69 774 747 A 6 CYS H A 7 LEU HDy% 1.0 1.8 4.96 775 747 A 6 CYS H A 7 LEU HDx% 1.0 1.8 4.96 776 748 A 6 CYS HA A 7 LEU HDy% 1.0 1.8 5.21 777 748 A 6 CYS HA A 7 LEU HDx% 1.0 1.8 5.21 778 749 A 7 LEU H A 6 CYS HBx 1.0 1.8 4.27 779 749 A 7 LEU H A 6 CYS HBy 1.0 1.8 4.27 780 750 A 7 LEU HA A 6 CYS HBx 1.0 1.8 5.61 781 750 A 7 LEU HA A 6 CYS HBy 1.0 1.8 5.61 782 751 A 7 LEU HBy A 6 CYS HBx 1.0 1.8 6.14 783 751 A 7 LEU HBy A 6 CYS HBy 1.0 1.8 6.14 784 752 A 6 CYS HBx A 7 LEU HDy% 1.0 1.8 6.07 785 752 A 6 CYS HBy A 7 LEU HDy% 1.0 1.8 6.07 786 752 A 7 LEU HDx% A 6 CYS HBx 1.0 1.8 6.07 787 752 A 7 LEU HDx% A 6 CYS HBy 1.0 1.8 6.07 788 753 A 8 THR HG2% A 6 CYS HBx 1.0 1.8 6.08 789 753 A 8 THR HG2% A 6 CYS HBy 1.0 1.8 6.08 790 754 A 7 LEU H A 7 LEU HDy% 1.0 1.8 4.30 791 754 A 7 LEU H A 7 LEU HDx% 1.0 1.8 4.30 792 755 A 7 LEU HA A 7 LEU HDy% 1.0 1.8 4.05 793 755 A 7 LEU HA A 7 LEU HDx% 1.0 1.8 4.05 794 756 A 7 LEU HBx A 7 LEU HDy% 1.0 1.8 3.22 795 756 A 7 LEU HBx A 7 LEU HDx% 1.0 1.8 3.22 796 757 A 7 LEU HBy A 7 LEU HDy% 1.0 1.8 3.28 797 757 A 7 LEU HBy A 7 LEU HDx% 1.0 1.8 3.28 798 758 A 8 THR H A 7 LEU HDy% 1.0 1.8 4.80 799 758 A 8 THR H A 7 LEU HDx% 1.0 1.8 4.80 800 759 A 8 THR HA A 7 LEU HDy% 1.0 1.8 4.92 801 759 A 8 THR HA A 7 LEU HDx% 1.0 1.8 4.92 802 760 A 8 THR HB A 7 LEU HDy% 1.0 1.8 5.31 803 760 A 8 THR HB A 7 LEU HDx% 1.0 1.8 5.31 804 761 A 8 THR HG2% A 68 SER HBx 1.0 1.8 6.14 805 761 A 8 THR HG2% A 68 SER HBy 1.0 1.8 6.14 806 762 A 9 ILE HG2% A 11 GLU HGy 1.0 1.8 5.11 807 762 A 9 ILE HG2% A 11 GLU HGx 1.0 1.8 5.11 808 763 A 9 ILE HG1x A 11 GLU HGy 1.0 1.8 6.14 809 763 A 9 ILE HG1x A 11 GLU HGx 1.0 1.8 6.14 810 764 A 11 GLU H A 11 GLU HGy 1.0 1.8 4.05 811 764 A 11 GLU H A 11 GLU HGx 1.0 1.8 4.05 812 765 A 11 GLU HA A 11 GLU HGy 1.0 1.8 3.84 813 765 A 11 GLU HA A 11 GLU HGx 1.0 1.8 3.84 814 766 A 12 ALA H A 11 GLU HGy 1.0 1.8 5.43 815 766 A 12 ALA H A 11 GLU HGx 1.0 1.8 5.43 816 767 A 12 ALA HB% A 18 LYS HDx 1.0 1.8 4.24 817 767 A 12 ALA HB% A 18 LYS HDy 1.0 1.8 4.24 818 768 A 14 LYS H A 14 LYS HGx 1.0 1.8 4.80 819 768 A 14 LYS H A 14 LYS HGy 1.0 1.8 4.80 820 769 A 14 LYS HA A 14 LYS HDx 1.0 1.8 4.75 821 769 A 14 LYS HA A 14 LYS HDy 1.0 1.8 4.75 822 770 A 14 LYS HBx A 14 LYS HDx 1.0 1.8 3.99 823 770 A 14 LYS HBx A 14 LYS HDy 1.0 1.8 3.99 824 771 A 14 LYS HBy A 14 LYS HEy 1.0 1.8 5.93 825 771 A 14 LYS HBy A 14 LYS HEx 1.0 1.8 5.93 826 772 A 14 LYS HEy A 14 LYS HGx 1.0 1.8 3.46 827 772 A 14 LYS HEx A 14 LYS HGx 1.0 1.8 3.46 828 772 A 14 LYS HGy A 14 LYS HEy 1.0 1.8 3.46 829 772 A 14 LYS HGy A 14 LYS HEx 1.0 1.8 3.46 830 773 A 15 GLY H A 14 LYS HGx 1.0 1.8 5.39 831 773 A 15 GLY H A 14 LYS HGy 1.0 1.8 5.39 832 774 A 15 GLY HAy A 14 LYS HGx 1.0 1.8 5.44 833 774 A 15 GLY HAy A 14 LYS HGy 1.0 1.8 5.44 834 775 A 15 GLY HAx A 14 LYS HGx 1.0 1.8 5.64 835 775 A 15 GLY HAx A 14 LYS HGy 1.0 1.8 5.64 836 776 A 16 GLU H A 14 LYS HGx 1.0 1.8 5.70 837 776 A 16 GLU H A 14 LYS HGy 1.0 1.8 5.70 838 777 A 16 GLU HA A 31 ARG HDx 1.0 1.8 5.03 839 777 A 16 GLU HA A 31 ARG HDy 1.0 1.8 5.03 840 778 A 16 GLU HGy A 31 ARG HDx 1.0 1.8 6.14 841 778 A 16 GLU HGy A 31 ARG HDy 1.0 1.8 6.14 842 779 A 18 LYS HA A 18 LYS HDx 1.0 1.8 5.15 843 779 A 18 LYS HA A 18 LYS HDy 1.0 1.8 5.15 844 780 A 18 LYS HBx A 18 LYS HDx 1.0 1.8 4.23 845 780 A 18 LYS HBx A 18 LYS HDy 1.0 1.8 4.23 846 781 A 20 ILE HD1% A 18 LYS HDx 1.0 1.8 5.08 847 781 A 20 ILE HD1% A 18 LYS HDy 1.0 1.8 5.08 848 782 A 64 ASP HBx A 18 LYS HDx 1.0 1.8 4.91 849 782 A 64 ASP HBx A 18 LYS HDy 1.0 1.8 4.91 850 783 A 64 ASP HBy A 18 LYS HDx 1.0 1.8 4.72 851 783 A 64 ASP HBy A 18 LYS HDy 1.0 1.8 4.72 852 784 A 20 ILE HB A 25 GLY HAy 1.0 1.8 6.01 853 784 A 20 ILE HB A 25 GLY HAx 1.0 1.8 6.01 854 785 A 20 ILE HG2% A 25 GLY HAy 1.0 1.8 6.14 855 785 A 20 ILE HG2% A 25 GLY HAx 1.0 1.8 6.14 856 786 A 21 ASN HD2y A 23 TYR HBy 1.0 1.8 5.40 857 786 A 21 ASN HD2y A 23 TYR HBx 1.0 1.8 5.40 858 787 A 21 ASN HD2y A 25 GLY HAy 1.0 1.8 4.44 859 787 A 21 ASN HD2y A 25 GLY HAx 1.0 1.8 4.44 860 788 A 25 GLY H A 23 TYR HBy 1.0 1.8 4.78 861 788 A 25 GLY H A 23 TYR HBx 1.0 1.8 4.78 862 789 A 26 TYR H A 25 GLY HAy 1.0 1.8 3.50 863 789 A 26 TYR H A 25 GLY HAx 1.0 1.8 3.50 864 790 A 26 TYR HBx A 25 GLY HAy 1.0 1.8 6.07 865 790 A 26 TYR HBx A 25 GLY HAx 1.0 1.8 6.07 866 791 A 26 TYR HBy A 25 GLY HAy 1.0 1.8 6.14 867 791 A 26 TYR HBy A 25 GLY HAx 1.0 1.8 6.14 868 792 A 30 PRO HBx A 32 SER HBx 1.0 1.8 4.30 869 792 A 30 PRO HBx A 32 SER HBy 1.0 1.8 4.30 870 793 A 31 ARG H A 31 ARG HDx 1.0 1.8 5.39 871 793 A 31 ARG H A 31 ARG HDy 1.0 1.8 5.39 872 794 A 31 ARG HA A 31 ARG HDx 1.0 1.8 5.07 873 794 A 31 ARG HA A 31 ARG HDy 1.0 1.8 5.07 874 795 A 31 ARG HBx A 31 ARG HDx 1.0 1.8 3.91 875 795 A 31 ARG HBx A 31 ARG HDy 1.0 1.8 3.91 876 796 A 32 SER H A 32 SER HBx 1.0 1.8 4.09 877 796 A 32 SER H A 32 SER HBy 1.0 1.8 4.09 878 797 A 33 ALA H A 32 SER HBx 1.0 1.8 4.99 879 797 A 33 ALA H A 32 SER HBy 1.0 1.8 4.99 880 798 A 33 ALA HB% A 56 PRO HGx 1.0 1.8 4.50 881 798 A 33 ALA HB% A 56 PRO HGy 1.0 1.8 4.50 882 799 A 34 ALA HB% A 35 VAL HGx% 1.0 1.8 4.27 883 799 A 34 ALA HB% A 35 VAL HGy% 1.0 1.8 4.27 884 800 A 35 VAL H A 35 VAL HGx% 1.0 1.8 4.07 885 800 A 35 VAL H A 35 VAL HGy% 1.0 1.8 4.07 886 801 A 35 VAL HA A 35 VAL HGx% 1.0 1.8 3.50 887 801 A 35 VAL HA A 35 VAL HGy% 1.0 1.8 3.50 888 802 A 35 VAL HA A 54 PRO HDy 1.0 1.8 4.98 889 802 A 35 VAL HA A 54 PRO HDx 1.0 1.8 4.98 890 803 A 36 ILE H A 35 VAL HGx% 1.0 1.8 4.99 891 803 A 36 ILE H A 35 VAL HGy% 1.0 1.8 4.99 892 804 A 54 PRO HGx A 35 VAL HGx% 1.0 1.8 5.70 893 804 A 54 PRO HGx A 35 VAL HGy% 1.0 1.8 5.70 894 805 A 36 ILE HA A 36 ILE HG1y 1.0 1.8 4.17 895 805 A 36 ILE HA A 36 ILE HG1x 1.0 1.8 4.17 896 806 A 36 ILE HD1% A 54 PRO HBy 1.0 1.8 5.12 897 806 A 36 ILE HD1% A 54 PRO HBx 1.0 1.8 5.12 898 807 A 36 ILE HD1% A 54 PRO HDy 1.0 1.8 6.15 899 807 A 36 ILE HD1% A 54 PRO HDx 1.0 1.8 6.15 900 808 A 37 ASN HA A 39 LEU HDy% 1.0 1.8 6.01 901 808 A 37 ASN HA A 39 LEU HDx% 1.0 1.8 6.01 902 809 A 37 ASN HBy A 37 ASN HD2x 1.0 1.8 3.55 903 809 A 37 ASN HBx A 37 ASN HD2x 1.0 1.8 3.55 904 809 A 37 ASN HD2y A 37 ASN HBx 1.0 1.8 3.55 905 809 A 37 ASN HBy A 37 ASN HD2y 1.0 1.8 3.55 906 810 A 37 ASN HBy A 39 LEU HDy% 1.0 1.8 4.80 907 810 A 37 ASN HBx A 39 LEU HDy% 1.0 1.8 4.80 908 810 A 39 LEU HDx% A 37 ASN HBx 1.0 1.8 4.80 909 810 A 39 LEU HDx% A 37 ASN HBy 1.0 1.8 4.80 910 811 A 37 ASN HD2y A 39 LEU HDy% 1.0 1.8 4.82 911 811 A 37 ASN HD2x A 39 LEU HDy% 1.0 1.8 4.82 912 811 A 39 LEU HDx% A 37 ASN HD2x 1.0 1.8 4.82 913 811 A 39 LEU HDx% A 37 ASN HD2y 1.0 1.8 4.82 914 812 A 38 ASP H A 38 ASP HBy 1.0 1.8 4.14 915 812 A 38 ASP H A 38 ASP HBx 1.0 1.8 4.14 916 813 A 38 ASP H A 39 LEU HDy% 1.0 1.8 5.08 917 813 A 38 ASP H A 39 LEU HDx% 1.0 1.8 5.08 918 814 A 38 ASP HA A 39 LEU HBy 1.0 1.8 5.95 919 814 A 38 ASP HA A 39 LEU HBx 1.0 1.8 5.95 920 815 A 38 ASP HA A 39 LEU HDy% 1.0 1.8 4.45 921 815 A 38 ASP HA A 39 LEU HDx% 1.0 1.8 4.45 922 816 A 39 LEU H A 38 ASP HBy 1.0 1.8 5.05 923 816 A 39 LEU H A 38 ASP HBx 1.0 1.8 5.05 924 817 A 39 LEU H A 39 LEU HBy 1.0 1.8 3.74 925 817 A 39 LEU H A 39 LEU HBx 1.0 1.8 3.74 926 818 A 39 LEU H A 39 LEU HDy% 1.0 1.8 5.00 927 818 A 39 LEU H A 39 LEU HDx% 1.0 1.8 5.00 928 819 A 39 LEU H A 54 PRO HBy 1.0 1.8 6.14 929 819 A 39 LEU H A 54 PRO HBx 1.0 1.8 6.14 930 820 A 39 LEU HA A 39 LEU HDy% 1.0 1.8 3.93 931 820 A 39 LEU HA A 39 LEU HDx% 1.0 1.8 3.93 932 821 A 39 LEU HG A 39 LEU HBy 1.0 1.8 2.90 933 821 A 39 LEU HG A 39 LEU HBx 1.0 1.8 2.90 934 822 A 54 PRO HA A 39 LEU HDy% 1.0 1.8 6.26 935 822 A 54 PRO HA A 39 LEU HDx% 1.0 1.8 6.26 936 823 A 42 GLU H A 42 GLU HBx 1.0 1.8 4.24 937 823 A 42 GLU H A 42 GLU HBy 1.0 1.8 4.24 938 824 A 42 GLU H A 42 GLU HGx 1.0 1.8 5.22 939 824 A 42 GLU H A 42 GLU HGy 1.0 1.8 5.22 940 825 A 51 ALA H A 50 PRO HBy 1.0 1.8 4.44 941 825 A 51 ALA H A 50 PRO HBx 1.0 1.8 4.44 942 826 A 51 ALA H A 50 PRO HDy 1.0 1.8 4.82 943 826 A 51 ALA H A 50 PRO HDx 1.0 1.8 4.82 944 827 A 51 ALA HB% A 50 PRO HDy 1.0 1.8 6.15 945 827 A 51 ALA HB% A 50 PRO HDx 1.0 1.8 6.15 946 828 A 52 GLN H A 52 GLN HBy 1.0 1.8 4.20 947 828 A 52 GLN H A 52 GLN HBx 1.0 1.8 4.20 948 829 A 52 GLN H A 52 GLN HGy 1.0 1.8 5.18 949 829 A 52 GLN H A 52 GLN HGx 1.0 1.8 5.18 950 830 A 52 GLN HBx A 52 GLN HE2x 1.0 1.8 5.24 951 830 A 52 GLN HBy A 52 GLN HE2x 1.0 1.8 5.24 952 830 A 52 GLN HE2y A 52 GLN HBy 1.0 1.8 5.24 953 830 A 52 GLN HBx A 52 GLN HE2y 1.0 1.8 5.24 954 831 A 53 HIS HBx A 54 PRO HBy 1.0 1.8 6.14 955 831 A 53 HIS HBx A 54 PRO HBx 1.0 1.8 6.14 956 832 A 57 CYS H A 56 PRO HGx 1.0 1.8 4.61 957 832 A 57 CYS H A 56 PRO HGy 1.0 1.8 4.61 958 833 A 57 CYS H A 56 PRO HDy 1.0 1.8 5.18 959 833 A 57 CYS H A 56 PRO HDx 1.0 1.8 5.18 960 834 A 63 PRO HBy A 56 PRO HDy 1.0 1.8 4.74 961 834 A 63 PRO HBy A 56 PRO HDx 1.0 1.8 4.74 962 835 A 60 GLY H A 59 PRO HBx 1.0 1.8 4.61 963 835 A 60 GLY H A 59 PRO HBy 1.0 1.8 4.61 964 836 A 68 SER H A 67 ASP HBy 1.0 1.8 4.88 965 836 A 68 SER H A 67 ASP HBx 1.0 1.8 4.88 966 837 A 68 SER HA A 67 ASP HBy 1.0 1.8 5.72 967 837 A 68 SER HA A 67 ASP HBx 1.0 1.8 5.72 968 838 A 69 CYS H A 67 ASP HBy 1.0 1.8 6.14 969 838 A 69 CYS H A 67 ASP HBx 1.0 1.8 6.14 970 839 A 68 SER H A 68 SER HBx 1.0 1.8 3.70 971 839 A 68 SER H A 68 SER HBy 1.0 1.8 3.70 972 840 A 69 CYS H A 68 SER HBx 1.0 1.8 4.74 973 840 A 69 CYS H A 68 SER HBy 1.0 1.8 4.74 974 841 A 69 CYS HA A 68 SER HBx 1.0 1.8 5.60 975 841 A 68 SER HBy A 69 CYS HA 1.0 1.8 5.60 976 842 A 70 VAL H A 69 CYS HBx 1.0 1.8 4.57 977 842 A 70 VAL H A 69 CYS HBy 1.0 1.8 4.57 978 843 A 69 CYS HBy A 70 VAL HGx% 1.0 1.8 4.50 979 843 A 69 CYS HBx A 70 VAL HGx% 1.0 1.8 4.50 980 843 A 70 VAL HGy% A 69 CYS HBx 1.0 1.8 4.50 981 843 A 69 CYS HBy A 70 VAL HGy% 1.0 1.8 4.50 982 844 A 70 VAL H A 70 VAL HGx% 1.0 1.8 3.71 983 844 A 70 VAL H A 70 VAL HGy% 1.0 1.8 3.71 984 845 A 71 ASP H A 70 VAL HGx% 1.0 1.8 3.98 985 845 A 71 ASP H A 70 VAL HGy% 1.0 1.8 3.98 986 846 A 70 VAL HGx% A 71 ASP HBx 1.0 1.8 5.07 987 846 A 70 VAL HGy% A 71 ASP HBx 1.0 1.8 5.07 988 846 A 71 ASP HBy A 70 VAL HGx% 1.0 1.8 5.07 989 846 A 70 VAL HGy% A 71 ASP HBy 1.0 1.8 5.07 990 847 A 71 ASP H A 71 ASP HBx 1.0 1.8 3.60 991 847 A 71 ASP H A 71 ASP HBy 1.0 1.8 3.60 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 8 THR C A 9 ILE N A 9 ILE CA A 9 ILE C 1.0 -114.99 -74.99 PHI 2 2 A 9 ILE N A 9 ILE CA A 9 ILE C A 10 PRO N 1.0 105.83 145.83 PSI 3 3 A 10 PRO C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -94.21 -54.21 PHI 4 4 A 11 GLU N A 11 GLU CA A 11 GLU C A 12 ALA N 1.0 -35.52 4.48 PSI 5 5 A 11 GLU C A 12 ALA N A 12 ALA CA A 12 ALA C 1.0 -160.21 -90.21 PHI 6 6 A 12 ALA N A 12 ALA CA A 12 ALA C A 13 CYS N 1.0 110.00 170.90 PSI 7 7 A 12 ALA C A 13 CYS N A 13 CYS CA A 13 CYS C 1.0 -160.88 -100.88 PHI 8 8 A 13 CYS N A 13 CYS CA A 13 CYS C A 14 LYS N 1.0 137.67 177.67 PSI 9 9 A 13 CYS C A 14 LYS N A 14 LYS CA A 14 LYS C 1.0 -76.50 -36.50 PHI 10 10 A 14 LYS N A 14 LYS CA A 14 LYS C A 15 GLY N 1.0 120.01 160.01 PSI 11 11 A 14 LYS C A 15 GLY N A 15 GLY CA A 15 GLY C 1.0 74.95 114.95 PHI 12 12 A 15 GLY N A 15 GLY CA A 15 GLY C A 16 GLU N 1.0 -37.08 2.92 PSI 13 13 A 15 GLY C A 16 GLU N A 16 GLU CA A 16 GLU C 1.0 -150.29 -90.29 PHI 14 14 A 16 GLU N A 16 GLU CA A 16 GLU C A 17 MET N 1.0 110.07 160.07 PSI 15 15 A 16 GLU C A 17 MET N A 17 MET CA A 17 MET C 1.0 -150.35 -92.35 PHI 16 16 A 17 MET N A 17 MET CA A 17 MET C A 18 LYS N 1.0 100.09 168.09 PSI 17 17 A 17 MET C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -150.04 -92.04 PHI 18 18 A 18 LYS N A 18 LYS CA A 18 LYS C A 19 CYS N 1.0 98.52 168.52 PSI 19 19 A 18 LYS C A 19 CYS N A 19 CYS CA A 19 CYS C 1.0 -147.08 -107.08 PHI 20 20 A 19 CYS N A 19 CYS CA A 19 CYS C A 20 ILE N 1.0 100.92 175.92 PSI 21 21 A 19 CYS C A 20 ILE N A 20 ILE CA A 20 ILE C 1.0 -131.75 -90.75 PHI 22 22 A 20 ILE N A 20 ILE CA A 20 ILE C A 21 ASN N 1.0 100.48 160.48 PSI 23 23 A 21 ASN C A 22 HIS N A 22 HIS CA A 22 HIS C 1.0 -100.42 -50.42 PHI 24 24 A 22 HIS N A 22 HIS CA A 22 HIS C A 23 TYR N 1.0 -50.00 -10.00 PSI 25 25 A 22 HIS C A 23 TYR N A 23 TYR CA A 23 TYR C 1.0 -120.42 -50.42 PHI 26 26 A 23 TYR N A 23 TYR CA A 23 TYR C A 24 GLY N 1.0 -50.00 -10.00 PSI 27 27 A 23 TYR C A 24 GLY N A 24 GLY CA A 24 GLY C 1.0 74.95 114.95 PHI 28 28 A 24 GLY N A 24 GLY CA A 24 GLY C A 25 GLY N 1.0 -10.00 10.92 PSI 29 29 A 24 GLY C A 25 GLY N A 25 GLY CA A 25 GLY C 1.0 -130.95 -60.95 PHI 30 30 A 25 GLY N A 25 GLY CA A 25 GLY C A 26 TYR N 1.0 110.84 168.84 PSI 31 31 A 25 GLY C A 26 TYR N A 26 TYR CA A 26 TYR C 1.0 -130.42 -110.42 PHI 32 32 A 26 TYR N A 26 TYR CA A 26 TYR C A 27 LEU N 1.0 110.61 168.61 PSI 33 33 A 26 TYR C A 27 LEU N A 27 LEU CA A 27 LEU C 1.0 -140.87 -105.87 PHI 34 34 A 27 LEU N A 27 LEU CA A 27 LEU C A 28 CYS N 1.0 100.81 157.81 PSI 35 35 A 27 LEU C A 28 CYS N A 28 CYS CA A 28 CYS C 1.0 -150.70 -103.70 PHI 36 36 A 28 CYS N A 28 CYS CA A 28 CYS C A 29 LEU N 1.0 100.86 168.86 PSI 37 37 A 28 CYS C A 29 LEU N A 29 LEU CA A 29 LEU C 1.0 -151.00 -91.00 PHI 38 38 A 29 LEU N A 29 LEU CA A 29 LEU C A 30 PRO N 1.0 100.42 168.42 PSI 39 39 A 30 PRO N A 30 PRO CA A 30 PRO C A 31 ARG N 1.0 122.62 162.62 PSI 40 40 A 30 PRO C A 31 ARG N A 31 ARG CA A 31 ARG C 1.0 -108.20 -68.20 PHI 41 41 A 31 ARG N A 31 ARG CA A 31 ARG C A 32 SER N 1.0 -29.31 10.69 PSI 42 42 A 54 PRO N A 54 PRO CA A 54 PRO C A 55 ASN N 1.0 -50.10 -30.00 PSI 43 43 A 31 ARG C A 32 SER N A 32 SER CA A 32 SER C 1.0 -100.42 -50.42 PHI 44 44 A 32 SER N A 32 SER CA A 32 SER C A 33 ALA N 1.0 -50.00 -10.00 PSI 45 45 A 33 ALA C A 34 ALA N A 34 ALA CA A 34 ALA C 1.0 -127.00 -87.00 PHI 46 46 A 34 ALA N A 34 ALA CA A 34 ALA C A 35 VAL N 1.0 113.75 153.75 PSI 47 47 A 56 PRO N A 56 PRO CA A 56 PRO C A 57 CYS N 1.0 -60.10 -20.00 PSI 48 48 A 52 GLN C A 53 HIS N A 53 HIS CA A 53 HIS C 1.0 -150.42 -90.42 PHI 49 49 A 53 HIS N A 53 HIS CA A 53 HIS C A 54 PRO N 1.0 110.00 170.00 PSI 50 50 A 54 PRO C A 55 ASN N A 55 ASN CA A 55 ASN C 1.0 30.00 50.96 PHI 51 51 A 55 ASN N A 55 ASN CA A 55 ASN C A 56 PRO N 1.0 20.00 60.22 PSI 52 52 A 56 PRO C A 57 CYS N A 57 CYS CA A 57 CYS C 1.0 -160.08 -90.08 PHI 53 53 A 57 CYS N A 57 CYS CA A 57 CYS C A 58 PRO N 1.0 116.99 156.99 PSI 54 54 A 59 PRO C A 60 GLY N A 60 GLY CA A 60 GLY C 1.0 74.95 114.95 PHI 55 55 A 63 PRO C A 64 ASP N A 64 ASP CA A 64 ASP C 1.0 -123.34 -83.34 PHI 56 56 A 64 ASP N A 64 ASP CA A 64 ASP C A 65 ASP N 1.0 90.98 141.98 PSI 57 57 A 64 ASP C A 65 ASP N A 65 ASP CA A 65 ASP C 1.0 -123.34 -83.34 PHI 58 58 A 65 ASP N A 65 ASP CA A 65 ASP C A 66 GLN N 1.0 111.98 151.98 PSI 59 59 A 65 ASP C A 66 GLN N A 66 GLN CA A 66 GLN C 1.0 -114.37 -84.37 PHI 60 60 A 66 GLN N A 66 GLN CA A 66 GLN C A 67 ASP N 1.0 100.00 150.64 PSI 61 61 A 60 GLY N A 60 GLY CA A 60 GLY C A 61 TYR N 1.0 -37.08 2.92 PSI 62 62 A 60 GLY C A 61 TYR N A 61 TYR CA A 61 TYR C 1.0 -150.92 -90.92 PHI 63 63 A 61 TYR N A 61 TYR CA A 61 TYR C A 62 GLU N 1.0 100.74 170.74 PSI 64 64 A 61 TYR C A 62 GLU N A 62 GLU CA A 62 GLU C 1.0 -150.82 -90.82 PHI 65 65 A 62 GLU N A 62 GLU CA A 62 GLU C A 63 PRO N 1.0 100.78 170.78 PSI 66 66 A 32 SER C A 33 ALA N A 33 ALA CA A 33 ALA C 1.0 -127.00 -87.00 PHI 67 67 A 33 ALA N A 33 ALA CA A 33 ALA C A 34 ALA N 1.0 113.75 153.75 PSI 68 68 A 59 PRO N A 59 PRO CA A 59 PRO C A 60 GLY N 1.0 130.10 150.00 PSI 69 69 A 50 PRO N A 50 PRO CA A 50 PRO C A 51 ALA N 1.0 -50.10 0.00 PSI 70 70 A 47 PRO C A 48 VAL N A 48 VAL CA A 48 VAL C 1.0 -140.87 -105.87 PHI 71 71 A 48 VAL N A 48 VAL CA A 48 VAL C A 49 PRO N 1.0 100.81 157.81 PSI 72 72 A 9 ILE N A 9 ILE CA A 9 ILE CB A 9 ILE CG1 1.0 -70.00 -50.00 CHI1 73 73 A 9 ILE CA A 9 ILE CB A 9 ILE CG1 A 9 ILE CD1 1.0 -70.00 -50.00 CHI2 74 74 A 11 GLU N A 11 GLU CA A 11 GLU CB A 11 GLU CG 1.0 -70.00 -50.00 CHI1 75 75 A 11 GLU CA A 11 GLU CB A 11 GLU CG A 11 GLU CD 1.0 170.00 190.00 CHI2 76 76 A 16 GLU N A 16 GLU CA A 16 GLU CB A 16 GLU CG 1.0 -70.00 -50.00 CHI1 77 77 A 16 GLU CA A 16 GLU CB A 16 GLU CG A 16 GLU CD 1.0 170.00 190.00 CHI2 78 78 A 17 MET N A 17 MET CA A 17 MET CB A 17 MET CG 1.0 -70.00 -50.00 CHI1 79 79 A 17 MET CA A 17 MET CB A 17 MET CG A 17 MET SD 1.0 170.00 190.00 CHI2 80 80 A 18 LYS N A 18 LYS CA A 18 LYS CB A 18 LYS CG 1.0 170.00 190.00 CHI1 81 81 A 18 LYS CA A 18 LYS CB A 18 LYS CG A 18 LYS CD 1.0 170.00 190.00 CHI2 82 82 A 20 ILE N A 20 ILE CA A 20 ILE CB A 20 ILE CG1 1.0 50.00 70.00 CHI1 83 83 A 20 ILE CA A 20 ILE CB A 20 ILE CG1 A 20 ILE CD1 1.0 170.00 190.00 CHI2 84 84 A 21 ASN N A 21 ASN CA A 21 ASN CB A 21 ASN CG 1.0 50.00 70.00 CHI1 85 85 A 21 ASN CA A 21 ASN CB A 21 ASN CG A 21 ASN OD1 1.0 20.00 40.00 CHI2 86 86 A 26 TYR N A 26 TYR CA A 26 TYR CB A 26 TYR CG 1.0 170.00 190.00 CHI1 87 87 A 27 LEU N A 27 LEU CA A 27 LEU CB A 27 LEU CG 1.0 -70.00 -50.00 CHI1 88 88 A 27 LEU CA A 27 LEU CB A 27 LEU CG A 27 LEU CD1 1.0 170.00 190.00 CHI2 89 89 A 29 LEU N A 29 LEU CA A 29 LEU CB A 29 LEU CG 1.0 -70.00 -50.00 CHI1 90 90 A 29 LEU CA A 29 LEU CB A 29 LEU CG A 29 LEU CD1 1.0 170.00 190.00 CHI2 91 91 A 61 TYR N A 61 TYR CA A 61 TYR CB A 61 TYR CG 1.0 -70.00 -50.00 CHI1 92 92 A 53 HIS N A 53 HIS CA A 53 HIS CB A 53 HIS CG 1.0 -80.00 -50.00 CHI1 93 93 A 53 HIS CA A 53 HIS CB A 53 HIS CG A 53 HIS ND1 1.0 70.00 90.00 CHI2 94 94 A 22 HIS N A 22 HIS CA A 22 HIS CB A 22 HIS CG 1.0 -80.00 -50.00 CHI1 95 95 A 22 HIS CA A 22 HIS CB A 22 HIS CG A 22 HIS ND1 1.0 70.00 90.00 CHI2 96 96 A 62 GLU CA A 62 GLU CB A 62 GLU CG A 62 GLU CD 1.0 170.00 190.00 CHI2 97 97 A 65 ASP N A 65 ASP CA A 65 ASP CB A 65 ASP CG 1.0 -70.00 -50.00 CHI1 98 98 A 65 ASP CA A 65 ASP CB A 65 ASP CG A 65 ASP OD1 1.0 -70.00 -40.00 CHI2 99 99 A 66 GLN N A 66 GLN CA A 66 GLN CB A 66 GLN CG 1.0 50.00 70.00 CHI1 100 100 A 66 GLN CA A 66 GLN CB A 66 GLN CG A 66 GLN CD 1.0 170.00 190.00 CHI2 101 101 A 14 LYS N A 14 LYS CA A 14 LYS CB A 14 LYS CG 1.0 170.00 190.00 CHI1 102 102 A 14 LYS CA A 14 LYS CB A 14 LYS CG A 14 LYS CD 1.0 170.00 190.00 CHI2 103 103 A 14 LYS CB A 14 LYS CG A 14 LYS CD A 14 LYS CE 1.0 170.00 190.00 CHI3 104 104 A 14 LYS CG A 14 LYS CD A 14 LYS CE A 14 LYS NZ 1.0 170.00 190.00 CHI4 105 105 A 31 ARG N A 31 ARG CA A 31 ARG CB A 31 ARG CG 1.0 170.00 190.00 CHI1 106 106 A 31 ARG CA A 31 ARG CB A 31 ARG CG A 31 ARG CD 1.0 170.00 190.00 CHI2 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 1H 20 2 13C 165 3 1H 20 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 1H 20 2 15N 80 3 1H 20 stop_ save_