data_nef_c19552_2mfj save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 19553 PDB 2mfj stop_ 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 9 CYS SG 1 40 CYS SG 1 26 CYS SG 1 49 CYS SG 1 30 CYS SG 1 51 CYS SG 1 35 CYS SG 1 54 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 GLY start . false 2 A 2 SER middle . . 3 A 3 ALA middle . . 4 A 4 LEU middle . . 5 A 5 ASP middle . . 6 A 6 PHE middle . . 7 A 7 THR middle . . 8 A 8 SER middle . . 9 A 9 CYS middle -HG . 10 A 10 ALA middle . . 11 A 11 ARG middle . . 12 A 12 MET middle . . 13 A 13 ASN middle . . 14 A 14 ASP middle . . 15 A 15 GLY middle . false 16 A 16 ALA middle . . 17 A 17 LEU middle . . 18 A 18 GLY middle . false 19 A 19 ALA middle . . 20 A 20 LYS middle . . 21 A 21 VAL middle . . 22 A 22 ALA middle . . 23 A 23 GLN middle . . 24 A 24 ALA middle . . 25 A 25 ALA middle . . 26 A 26 CYS middle -HG . 27 A 27 ILE middle . . 28 A 28 SER middle . . 29 A 29 SER middle . . 30 A 30 CYS middle -HG . 31 A 31 LYS middle . . 32 A 32 PHE middle . . 33 A 33 GLN middle . . 34 A 34 ASN middle . . 35 A 35 CYS middle -HG . 36 A 36 GLY middle . false 37 A 37 THR middle . . 38 A 38 GLY middle . false 39 A 39 HIS middle . . 40 A 40 CYS middle -HG . 41 A 41 GLU middle . . 42 A 42 ARG middle . . 43 A 43 ARG middle . . 44 A 44 GLY middle . false 45 A 45 GLY middle . false 46 A 46 ARG middle . . 47 A 47 PRO middle . false 48 A 48 THR middle . . 49 A 49 CYS middle -HG . 50 A 50 VAL middle . . 51 A 51 CYS middle -HG . 52 A 52 SER middle . . 53 A 53 ARG middle . . 54 A 54 CYS middle -HG . 55 A 55 GLY middle . false 56 A 56 ASN middle . . 57 A 57 GLY middle . false 58 A 58 GLY middle . false 59 A 59 GLY middle . false 60 A 60 GLU middle . . 61 A 61 TRP middle . . 62 A 62 PRO middle . false 63 A 63 ASN middle . . 64 A 64 LEU middle . . 65 A 65 PRO middle . false 66 A 66 SER middle . . 67 A 67 ARG middle . . 68 A 68 GLY end . false stop_ save_ save_Major_Conformer _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode Major_Conformer 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 GLY HAx H 1 3.944 0.020 A 1 GLY HAy H 1 3.944 0.020 A 1 GLY C C 13 170.238 0.400 A 1 GLY CA C 13 43.504 0.400 A 2 SER H H 1 8.666 0.020 A 2 SER HA H 1 4.612 0.020 A 2 SER HBx H 1 3.884 0.020 A 2 SER HBy H 1 3.884 0.020 A 2 SER C C 13 173.852 0.400 A 2 SER CA C 13 58.197 0.400 A 2 SER CB C 13 64.529 0.400 A 2 SER N N 15 115.948 0.400 A 3 ALA H H 1 8.433 0.020 A 3 ALA HA H 1 4.442 0.020 A 3 ALA HB% H 1 1.383 0.020 A 3 ALA C C 13 176.714 0.400 A 3 ALA CA C 13 52.473 0.400 A 3 ALA CB C 13 19.661 0.400 A 3 ALA N N 15 126.294 0.400 A 4 LEU H H 1 8.165 0.020 A 4 LEU HA H 1 4.567 0.020 A 4 LEU HBx H 1 1.102 0.020 A 4 LEU HBy H 1 1.450 0.020 A 4 LEU HDx% H 1 0.889 0.020 A 4 LEU HDy% H 1 0.856 0.020 A 4 LEU HG H 1 1.569 0.020 A 4 LEU C C 13 176.271 0.400 A 4 LEU CA C 13 54.564 0.400 A 4 LEU CB C 13 43.766 0.400 A 4 LEU CD1 C 13 25.351 0.400 A 4 LEU CD2 C 13 24.239 0.400 A 4 LEU CG C 13 26.928 0.400 A 4 LEU N N 15 121.327 0.400 A 5 ASP H H 1 8.097 0.020 A 5 ASP HA H 1 4.621 0.020 A 5 ASP HBy H 1 2.790 0.020 A 5 ASP HBx H 1 2.710 0.020 A 5 ASP C C 13 176.301 0.400 A 5 ASP CA C 13 53.098 0.400 A 5 ASP CB C 13 42.169 0.400 A 5 ASP N N 15 119.103 0.400 A 6 PHE H H 1 8.841 0.020 A 6 PHE HA H 1 5.139 0.020 A 6 PHE HBx H 1 2.873 0.020 A 6 PHE HBy H 1 3.598 0.020 A 6 PHE HD1 H 1 7.240 0.020 A 6 PHE HD2 H 1 7.240 0.020 A 6 PHE HE1 H 1 7.353 0.020 A 6 PHE HE2 H 1 7.353 0.020 A 6 PHE HZ H 1 7.257 0.020 A 6 PHE C C 13 176.266 0.400 A 6 PHE CA C 13 57.768 0.400 A 6 PHE CB C 13 39.425 0.400 A 6 PHE CD1 C 13 131.624 0.400 A 6 PHE CD2 C 13 131.624 0.400 A 6 PHE CE1 C 13 129.603 0.400 A 6 PHE CE2 C 13 129.603 0.400 A 6 PHE CZ C 13 129.535 0.400 A 6 PHE N N 15 123.716 0.400 A 7 THR H H 1 8.809 0.020 A 7 THR HA H 1 4.590 0.020 A 7 THR HB H 1 4.241 0.020 A 7 THR HG2% H 1 1.254 0.020 A 7 THR C C 13 177.294 0.400 A 7 THR CA C 13 63.423 0.400 A 7 THR CB C 13 70.175 0.400 A 7 THR CG2 C 13 21.761 0.400 A 7 THR N N 15 114.338 0.400 A 8 SER H H 1 9.657 0.020 A 8 SER HA H 1 4.158 0.020 A 8 SER HBx H 1 3.676 0.020 A 8 SER HBy H 1 3.676 0.020 A 8 SER C C 13 175.146 0.400 A 8 SER CA C 13 62.906 0.400 A 8 SER CB C 13 62.807 0.400 A 8 SER N N 15 122.221 0.400 A 9 CYS H H 1 8.694 0.020 A 9 CYS HA H 1 4.748 0.020 A 9 CYS HBx H 1 2.641 0.020 A 9 CYS HBy H 1 3.496 0.020 A 9 CYS C C 13 174.389 0.400 A 9 CYS CA C 13 57.155 0.400 A 9 CYS CB C 13 41.841 0.400 A 9 CYS N N 15 113.381 0.400 A 10 ALA H H 1 7.344 0.020 A 10 ALA HA H 1 3.934 0.020 A 10 ALA HB% H 1 1.615 0.020 A 10 ALA C C 13 179.432 0.400 A 10 ALA CA C 13 56.491 0.400 A 10 ALA CB C 13 19.361 0.400 A 10 ALA N N 15 123.467 0.400 A 11 ARG H H 1 9.161 0.020 A 11 ARG HA H 1 4.425 0.020 A 11 ARG HBx H 1 2.322 0.020 A 11 ARG HBy H 1 2.322 0.020 A 11 ARG HDx H 1 3.154 0.020 A 11 ARG HDy H 1 3.154 0.020 A 11 ARG HE H 1 7.809 0.020 A 11 ARG HGx H 1 1.711 0.020 A 11 ARG HGy H 1 1.711 0.020 A 11 ARG C C 13 177.471 0.400 A 11 ARG CA C 13 56.619 0.400 A 11 ARG CB C 13 29.728 0.400 A 11 ARG CD C 13 43.695 0.400 A 11 ARG CG C 13 27.212 0.400 A 11 ARG N N 15 114.563 0.400 A 11 ARG NE N 15 84.344 0.400 A 12 MET H H 1 7.976 0.020 A 12 MET HA H 1 3.819 0.020 A 12 MET HBy H 1 2.359 0.020 A 12 MET HBx H 1 1.984 0.020 A 12 MET HE% H 1 1.925 0.020 A 12 MET HGx H 1 2.358 0.020 A 12 MET HGy H 1 2.650 0.020 A 12 MET C C 13 175.125 0.400 A 12 MET CA C 13 59.617 0.400 A 12 MET CB C 13 32.017 0.400 A 12 MET CE C 13 16.920 0.400 A 12 MET CG C 13 30.024 0.400 A 12 MET N N 15 115.606 0.400 A 13 ASN H H 1 8.714 0.020 A 13 ASN HA H 1 5.102 0.020 A 13 ASN HBy H 1 3.188 0.020 A 13 ASN HBx H 1 2.595 0.020 A 13 ASN HD2x H 1 6.826 0.020 A 13 ASN HD2y H 1 7.825 0.020 A 13 ASN C C 13 175.540 0.400 A 13 ASN CA C 13 53.516 0.400 A 13 ASN CB C 13 39.326 0.400 A 13 ASN N N 15 117.664 0.400 A 13 ASN ND2 N 15 111.737 0.400 A 14 ASP H H 1 8.057 0.020 A 14 ASP HA H 1 4.894 0.020 A 14 ASP HBy H 1 2.979 0.020 A 14 ASP HBx H 1 2.743 0.020 A 14 ASP C C 13 176.553 0.400 A 14 ASP CA C 13 53.211 0.400 A 14 ASP CB C 13 39.655 0.400 A 14 ASP N N 15 123.427 0.400 A 15 GLY H H 1 7.833 0.020 A 15 GLY HAx H 1 3.952 0.020 A 15 GLY HAy H 1 4.389 0.020 A 15 GLY C C 13 173.718 0.400 A 15 GLY CA C 13 44.536 0.400 A 15 GLY N N 15 108.142 0.400 A 16 ALA H H 1 8.706 0.020 A 16 ALA HA H 1 4.201 0.020 A 16 ALA HB% H 1 1.516 0.020 A 16 ALA C C 13 181.227 0.400 A 16 ALA CA C 13 55.357 0.400 A 16 ALA CB C 13 18.438 0.400 A 16 ALA N N 15 124.207 0.400 A 17 LEU H H 1 8.696 0.020 A 17 LEU HA H 1 4.273 0.020 A 17 LEU HBx H 1 1.772 0.020 A 17 LEU HBy H 1 1.772 0.020 A 17 LEU HDx% H 1 1.017 0.020 A 17 LEU HDy% H 1 0.985 0.020 A 17 LEU HG H 1 1.699 0.020 A 17 LEU C C 13 179.193 0.400 A 17 LEU CA C 13 57.614 0.400 A 17 LEU CB C 13 41.410 0.400 A 17 LEU CD1 C 13 24.099 0.400 A 17 LEU CD2 C 13 24.492 0.400 A 17 LEU CG C 13 27.252 0.400 A 17 LEU N N 15 118.708 0.400 A 18 GLY H H 1 7.612 0.020 A 18 GLY HAx H 1 3.630 0.020 A 18 GLY HAy H 1 3.998 0.020 A 18 GLY C C 13 175.408 0.400 A 18 GLY CA C 13 47.877 0.400 A 18 GLY N N 15 107.929 0.400 A 19 ALA H H 1 7.974 0.020 A 19 ALA HA H 1 4.026 0.020 A 19 ALA HB% H 1 1.579 0.020 A 19 ALA C C 13 180.791 0.400 A 19 ALA CA C 13 56.169 0.400 A 19 ALA CB C 13 18.220 0.400 A 19 ALA N N 15 121.305 0.400 A 20 LYS H H 1 7.584 0.020 A 20 LYS HA H 1 4.199 0.020 A 20 LYS HBx H 1 2.097 0.020 A 20 LYS HBy H 1 2.097 0.020 A 20 LYS HDx H 1 1.775 0.020 A 20 LYS HDy H 1 1.775 0.020 A 20 LYS HEx H 1 3.054 0.020 A 20 LYS HEy H 1 3.054 0.020 A 20 LYS HGy H 1 1.712 0.020 A 20 LYS HGx H 1 1.556 0.020 A 20 LYS C C 13 179.882 0.400 A 20 LYS CA C 13 59.545 0.400 A 20 LYS CB C 13 32.808 0.400 A 20 LYS CD C 13 29.652 0.400 A 20 LYS CE C 13 42.122 0.400 A 20 LYS CG C 13 25.169 0.400 A 20 LYS N N 15 119.157 0.400 A 21 VAL H H 1 8.472 0.020 A 21 VAL HA H 1 3.800 0.020 A 21 VAL HB H 1 2.209 0.020 A 21 VAL HGx% H 1 1.063 0.020 A 21 VAL HGy% H 1 1.145 0.020 A 21 VAL C C 13 178.980 0.400 A 21 VAL CA C 13 66.162 0.400 A 21 VAL CB C 13 32.062 0.400 A 21 VAL CG1 C 13 20.939 0.400 A 21 VAL CG2 C 13 22.333 0.400 A 21 VAL N N 15 122.484 0.400 A 22 ALA H H 1 8.750 0.020 A 22 ALA HA H 1 4.452 0.020 A 22 ALA HB% H 1 1.582 0.020 A 22 ALA C C 13 178.351 0.400 A 22 ALA CA C 13 54.379 0.400 A 22 ALA CB C 13 19.355 0.400 A 22 ALA N N 15 124.043 0.400 A 23 GLN H H 1 7.950 0.020 A 23 GLN HA H 1 4.036 0.020 A 23 GLN HBy H 1 2.290 0.020 A 23 GLN HBx H 1 2.239 0.020 A 23 GLN HE2y H 1 7.108 0.020 A 23 GLN HE2x H 1 6.833 0.020 A 23 GLN HGx H 1 2.520 0.020 A 23 GLN HGy H 1 2.520 0.020 A 23 GLN C C 13 178.377 0.400 A 23 GLN CA C 13 59.385 0.400 A 23 GLN CB C 13 28.577 0.400 A 23 GLN CG C 13 33.688 0.400 A 23 GLN N N 15 117.277 0.400 A 23 GLN NE2 N 15 112.158 0.400 A 24 ALA H H 1 7.833 0.020 A 24 ALA HA H 1 4.163 0.020 A 24 ALA HB% H 1 1.567 0.020 A 24 ALA C C 13 180.653 0.400 A 24 ALA CA C 13 55.228 0.400 A 24 ALA CB C 13 18.011 0.400 A 24 ALA N N 15 119.981 0.400 A 25 ALA H H 1 8.459 0.020 A 25 ALA HA H 1 4.227 0.020 A 25 ALA HB% H 1 1.711 0.020 A 25 ALA C C 13 180.617 0.400 A 25 ALA CA C 13 55.126 0.400 A 25 ALA CB C 13 18.105 0.400 A 25 ALA N N 15 122.799 0.400 A 26 CYS H H 1 8.691 0.020 A 26 CYS HA H 1 4.713 0.020 A 26 CYS HBx H 1 2.662 0.020 A 26 CYS HBy H 1 2.662 0.020 A 26 CYS C C 13 175.945 0.400 A 26 CYS CA C 13 55.572 0.400 A 26 CYS CB C 13 36.331 0.400 A 26 CYS N N 15 118.932 0.400 A 27 ILE H H 1 8.617 0.020 A 27 ILE HA H 1 3.333 0.020 A 27 ILE HB H 1 1.911 0.020 A 27 ILE HD1% H 1 1.005 0.020 A 27 ILE HG1x H 1 1.204 0.020 A 27 ILE HG1y H 1 1.886 0.020 A 27 ILE HG2% H 1 0.994 0.020 A 27 ILE C C 13 178.580 0.400 A 27 ILE CA C 13 67.141 0.400 A 27 ILE CB C 13 37.993 0.400 A 27 ILE CD1 C 13 13.986 0.400 A 27 ILE CG1 C 13 30.769 0.400 A 27 ILE CG2 C 13 17.705 0.400 A 27 ILE N N 15 120.719 0.400 A 28 SER H H 1 7.979 0.020 A 28 SER HA H 1 4.024 0.020 A 28 SER HBx H 1 4.167 0.020 A 28 SER HBy H 1 4.167 0.020 A 28 SER C C 13 176.950 0.400 A 28 SER CA C 13 62.789 0.400 A 28 SER CB C 13 62.250 0.400 A 28 SER N N 15 113.943 0.400 A 29 SER H H 1 8.398 0.020 A 29 SER HA H 1 4.368 0.020 A 29 SER HBx H 1 4.167 0.020 A 29 SER HBy H 1 4.167 0.020 A 29 SER C C 13 178.416 0.400 A 29 SER CA C 13 61.091 0.400 A 29 SER CB C 13 63.329 0.400 A 29 SER N N 15 117.700 0.400 A 30 CYS H H 1 8.847 0.020 A 30 CYS HA H 1 4.446 0.020 A 30 CYS HBx H 1 2.647 0.020 A 30 CYS HBy H 1 2.647 0.020 A 30 CYS C C 13 177.681 0.400 A 30 CYS CA C 13 58.035 0.400 A 30 CYS CB C 13 36.392 0.400 A 30 CYS N N 15 120.023 0.400 A 31 LYS H H 1 8.640 0.020 A 31 LYS HA H 1 4.538 0.020 A 31 LYS HBx H 1 1.975 0.020 A 31 LYS HBy H 1 1.975 0.020 A 31 LYS HDx H 1 1.705 0.020 A 31 LYS HDy H 1 1.705 0.020 A 31 LYS HEx H 1 2.973 0.020 A 31 LYS HEy H 1 2.973 0.020 A 31 LYS HGx H 1 1.466 0.020 A 31 LYS HGy H 1 1.588 0.020 A 31 LYS C C 13 181.518 0.400 A 31 LYS CA C 13 59.789 0.400 A 31 LYS CB C 13 31.860 0.400 A 31 LYS CD C 13 29.430 0.400 A 31 LYS CE C 13 42.157 0.400 A 31 LYS CG C 13 25.271 0.400 A 31 LYS N N 15 124.288 0.400 A 32 PHE H H 1 8.033 0.020 A 32 PHE HA H 1 4.513 0.020 A 32 PHE HBy H 1 3.472 0.020 A 32 PHE HBx H 1 3.357 0.020 A 32 PHE HD1 H 1 7.386 0.020 A 32 PHE HD2 H 1 7.386 0.020 A 32 PHE HE1 H 1 7.375 0.020 A 32 PHE HE2 H 1 7.375 0.020 A 32 PHE C C 13 176.834 0.400 A 32 PHE CA C 13 60.721 0.400 A 32 PHE CB C 13 38.682 0.400 A 32 PHE CD1 C 13 132.527 0.400 A 32 PHE CD2 C 13 132.527 0.400 A 32 PHE CE1 C 13 131.534 0.400 A 32 PHE CE2 C 13 131.534 0.400 A 32 PHE N N 15 121.183 0.400 A 33 GLN H H 1 7.482 0.020 A 33 GLN HA H 1 4.450 0.020 A 33 GLN HBx H 1 2.169 0.020 A 33 GLN HBy H 1 2.169 0.020 A 33 GLN HE2x H 1 7.108 0.020 A 33 GLN HE2y H 1 7.570 0.020 A 33 GLN HGx H 1 2.446 0.020 A 33 GLN HGy H 1 2.637 0.020 A 33 GLN C C 13 174.236 0.400 A 33 GLN CA C 13 55.176 0.400 A 33 GLN CB C 13 29.401 0.400 A 33 GLN CG C 13 34.489 0.400 A 33 GLN N N 15 116.602 0.400 A 33 GLN NE2 N 15 112.051 0.400 A 34 ASN H H 1 8.053 0.020 A 34 ASN HA H 1 4.441 0.020 A 34 ASN HBx H 1 2.897 0.020 A 34 ASN HBy H 1 3.265 0.020 A 34 ASN HD2y H 1 7.581 0.020 A 34 ASN HD2x H 1 6.924 0.020 A 34 ASN C C 13 174.477 0.400 A 34 ASN CA C 13 54.625 0.400 A 34 ASN CB C 13 36.774 0.400 A 34 ASN N N 15 113.176 0.400 A 34 ASN ND2 N 15 112.375 0.400 A 35 CYS H H 1 8.207 0.020 A 35 CYS HA H 1 5.286 0.020 A 35 CYS HBx H 1 3.052 0.020 A 35 CYS HBy H 1 3.404 0.020 A 35 CYS C C 13 174.469 0.400 A 35 CYS CA C 13 55.882 0.400 A 35 CYS CB C 13 46.807 0.400 A 35 CYS N N 15 115.883 0.400 A 36 GLY H H 1 8.323 0.020 A 36 GLY HAy H 1 3.979 0.020 A 36 GLY HAx H 1 3.786 0.020 A 36 GLY C C 13 173.089 0.400 A 36 GLY CA C 13 46.750 0.400 A 36 GLY N N 15 109.186 0.400 A 37 THR H H 1 7.840 0.020 A 37 THR HA H 1 4.488 0.020 A 37 THR HB H 1 4.213 0.020 A 37 THR HG2% H 1 0.988 0.020 A 37 THR C C 13 171.669 0.400 A 37 THR CA C 13 60.637 0.400 A 37 THR CB C 13 68.679 0.400 A 37 THR CG2 C 13 18.933 0.400 A 37 THR N N 15 111.632 0.400 A 38 GLY H H 1 7.900 0.020 A 38 GLY HAy H 1 5.052 0.020 A 38 GLY HAx H 1 4.113 0.020 A 38 GLY C C 13 171.421 0.400 A 38 GLY CA C 13 46.735 0.400 A 38 GLY N N 15 107.766 0.400 A 39 HIS H H 1 8.556 0.020 A 39 HIS HA H 1 4.984 0.020 A 39 HIS HBx H 1 3.279 0.020 A 39 HIS HBy H 1 3.279 0.020 A 39 HIS HD2 H 1 7.100 0.020 A 39 HIS HE1 H 1 8.403 0.020 A 39 HIS C C 13 172.300 0.400 A 39 HIS CA C 13 55.280 0.400 A 39 HIS CB C 13 32.062 0.400 A 39 HIS CD2 C 13 120.082 0.400 A 39 HIS CE1 C 13 135.910 0.400 A 39 HIS N N 15 114.736 0.400 A 40 CYS H H 1 9.171 0.020 A 40 CYS HA H 1 5.548 0.020 A 40 CYS HBx H 1 2.946 0.020 A 40 CYS HBy H 1 3.567 0.020 A 40 CYS C C 13 175.262 0.400 A 40 CYS CA C 13 53.750 0.400 A 40 CYS CB C 13 40.792 0.400 A 40 CYS N N 15 120.829 0.400 A 41 GLU H H 1 9.526 0.020 A 41 GLU HA H 1 4.736 0.020 A 41 GLU HBx H 1 1.819 0.020 A 41 GLU HBy H 1 2.195 0.020 A 41 GLU HGx H 1 2.387 0.020 A 41 GLU HGy H 1 2.387 0.020 A 41 GLU C C 13 174.513 0.400 A 41 GLU CA C 13 55.025 0.400 A 41 GLU CB C 13 34.294 0.400 A 41 GLU CG C 13 36.142 0.400 A 41 GLU N N 15 121.498 0.400 A 42 ARG H H 1 9.092 0.020 A 42 ARG HA H 1 4.695 0.020 A 42 ARG HBy H 1 1.784 0.020 A 42 ARG HBx H 1 1.658 0.020 A 42 ARG HDx H 1 3.155 0.020 A 42 ARG HDy H 1 3.155 0.020 A 42 ARG HE H 1 7.317 0.020 A 42 ARG HGx H 1 1.399 0.020 A 42 ARG HGy H 1 1.512 0.020 A 42 ARG C C 13 175.923 0.400 A 42 ARG CA C 13 56.011 0.400 A 42 ARG CB C 13 30.394 0.400 A 42 ARG CD C 13 43.602 0.400 A 42 ARG CG C 13 28.116 0.400 A 42 ARG N N 15 123.685 0.400 A 42 ARG NE N 15 84.660 0.400 A 43 ARG H H 1 8.327 0.020 A 43 ARG HA H 1 4.756 0.020 A 43 ARG HBx H 1 2.013 0.020 A 43 ARG HBy H 1 2.013 0.020 A 43 ARG HDx H 1 3.315 0.020 A 43 ARG HDy H 1 3.315 0.020 A 43 ARG HE H 1 7.432 0.020 A 43 ARG HGx H 1 1.662 0.020 A 43 ARG HGy H 1 1.662 0.020 A 43 ARG C C 13 177.302 0.400 A 43 ARG CA C 13 55.066 0.400 A 43 ARG CB C 13 31.982 0.400 A 43 ARG CD C 13 43.782 0.400 A 43 ARG CG C 13 27.199 0.400 A 43 ARG N N 15 124.944 0.400 A 43 ARG NE N 15 84.192 0.400 A 44 GLY H H 1 9.479 0.020 A 44 GLY HAx H 1 3.903 0.020 A 44 GLY HAy H 1 3.903 0.020 A 44 GLY C C 13 175.739 0.400 A 44 GLY CA C 13 47.205 0.400 A 44 GLY N N 15 118.484 0.400 A 45 GLY H H 1 8.602 0.020 A 45 GLY HAx H 1 3.650 0.020 A 45 GLY HAy H 1 4.281 0.020 A 45 GLY C C 13 173.882 0.400 A 45 GLY CA C 13 44.950 0.400 A 45 GLY N N 15 104.870 0.400 A 46 ARG H H 1 7.794 0.020 A 46 ARG HA H 1 4.951 0.020 A 46 ARG HBx H 1 1.834 0.020 A 46 ARG HBy H 1 1.834 0.020 A 46 ARG HDx H 1 2.852 0.020 A 46 ARG HDy H 1 2.852 0.020 A 46 ARG HE H 1 6.979 0.020 A 46 ARG HGx H 1 1.534 0.020 A 46 ARG HGy H 1 1.534 0.020 A 46 ARG CA C 13 53.238 0.400 A 46 ARG CB C 13 31.845 0.400 A 46 ARG CD C 13 43.412 0.400 A 46 ARG CG C 13 26.315 0.400 A 46 ARG N N 15 120.611 0.400 A 46 ARG NE N 15 84.254 0.400 A 47 PRO HA H 1 4.485 0.020 A 47 PRO HBx H 1 2.310 0.020 A 47 PRO HBy H 1 2.310 0.020 A 47 PRO HDx H 1 3.789 0.020 A 47 PRO HDy H 1 3.789 0.020 A 47 PRO HGx H 1 2.009 0.020 A 47 PRO HGy H 1 2.009 0.020 A 47 PRO C C 13 176.600 0.400 A 47 PRO CA C 13 63.355 0.400 A 47 PRO CB C 13 32.165 0.400 A 47 PRO CD C 13 50.978 0.400 A 47 PRO CG C 13 27.360 0.400 A 48 THR H H 1 9.526 0.020 A 48 THR HA H 1 4.546 0.020 A 48 THR HB H 1 3.939 0.020 A 48 THR HG2% H 1 0.994 0.020 A 48 THR C C 13 171.198 0.400 A 48 THR CA C 13 63.415 0.400 A 48 THR CB C 13 71.932 0.400 A 48 THR CG2 C 13 21.138 0.400 A 48 THR N N 15 125.296 0.400 A 49 CYS H H 1 8.551 0.020 A 49 CYS HA H 1 4.969 0.020 A 49 CYS HBy H 1 3.120 0.020 A 49 CYS HBx H 1 2.701 0.020 A 49 CYS C C 13 172.343 0.400 A 49 CYS CA C 13 54.970 0.400 A 49 CYS CB C 13 36.652 0.400 A 49 CYS N N 15 126.782 0.400 A 50 VAL H H 1 8.834 0.020 A 50 VAL HA H 1 4.204 0.020 A 50 VAL HB H 1 1.493 0.020 A 50 VAL HGx% H 1 0.710 0.020 A 50 VAL HGy% H 1 0.859 0.020 A 50 VAL C C 13 175.783 0.400 A 50 VAL CA C 13 61.364 0.400 A 50 VAL CB C 13 32.850 0.400 A 50 VAL CG1 C 13 20.202 0.400 A 50 VAL CG2 C 13 20.958 0.400 A 50 VAL N N 15 131.341 0.400 A 51 CYS H H 1 8.707 0.020 A 51 CYS HA H 1 5.551 0.020 A 51 CYS HBx H 1 2.725 0.020 A 51 CYS HBy H 1 3.184 0.020 A 51 CYS C C 13 175.266 0.400 A 51 CYS CA C 13 53.045 0.400 A 51 CYS CB C 13 37.991 0.400 A 51 CYS N N 15 124.963 0.400 A 52 SER H H 1 8.616 0.020 A 52 SER HA H 1 4.754 0.020 A 52 SER HBx H 1 3.815 0.020 A 52 SER HBy H 1 3.815 0.020 A 52 SER C C 13 172.533 0.400 A 52 SER CA C 13 57.703 0.400 A 52 SER CB C 13 64.838 0.400 A 52 SER N N 15 115.877 0.400 A 53 ARG H H 1 8.847 0.020 A 53 ARG HA H 1 4.016 0.020 A 53 ARG HBx H 1 2.010 0.020 A 53 ARG HBy H 1 2.010 0.020 A 53 ARG HDx H 1 3.153 0.020 A 53 ARG HDy H 1 3.153 0.020 A 53 ARG HE H 1 7.268 0.020 A 53 ARG HGx H 1 1.912 0.020 A 53 ARG HGy H 1 1.912 0.020 A 53 ARG C C 13 177.808 0.400 A 53 ARG CA C 13 57.008 0.400 A 53 ARG CB C 13 27.539 0.400 A 53 ARG CD C 13 43.895 0.400 A 53 ARG CG C 13 27.514 0.400 A 53 ARG N N 15 116.612 0.400 A 53 ARG NE N 15 84.931 0.400 A 54 CYS H H 1 8.785 0.020 A 54 CYS HA H 1 4.999 0.020 A 54 CYS HBy H 1 3.284 0.020 A 54 CYS HBx H 1 2.940 0.020 A 54 CYS C C 13 175.666 0.400 A 54 CYS CA C 13 56.833 0.400 A 54 CYS CB C 13 43.446 0.400 A 54 CYS N N 15 119.474 0.400 A 55 GLY H H 1 8.615 0.020 A 55 GLY HAx H 1 4.068 0.020 A 55 GLY HAy H 1 4.068 0.020 A 55 GLY C C 13 174.020 0.400 A 55 GLY CA C 13 45.636 0.400 A 55 GLY N N 15 110.933 0.400 A 56 ASN H H 1 8.587 0.020 A 56 ASN HA H 1 4.803 0.020 A 56 ASN HBx H 1 2.845 0.020 A 56 ASN HBy H 1 2.845 0.020 A 56 ASN HD2y H 1 7.634 0.020 A 56 ASN HD2x H 1 6.973 0.020 A 56 ASN C C 13 176.160 0.400 A 56 ASN CA C 13 53.236 0.400 A 56 ASN CB C 13 38.960 0.400 A 56 ASN N N 15 118.995 0.400 A 56 ASN ND2 N 15 112.916 0.400 A 57 GLY H H 1 8.584 0.020 A 57 GLY HAx H 1 3.995 0.020 A 57 GLY HAy H 1 3.995 0.020 A 57 GLY C C 13 174.914 0.400 A 57 GLY CA C 13 45.570 0.400 A 57 GLY N N 15 109.741 0.400 A 58 GLY H H 1 8.370 0.020 A 58 GLY HAx H 1 4.030 0.020 A 58 GLY HAy H 1 4.030 0.020 A 58 GLY C C 13 174.748 0.400 A 58 GLY CA C 13 45.510 0.400 A 58 GLY N N 15 108.896 0.400 A 59 GLY H H 1 8.250 0.020 A 59 GLY HAx H 1 3.937 0.020 A 59 GLY HAy H 1 3.937 0.020 A 59 GLY C C 13 173.892 0.400 A 59 GLY CA C 13 45.175 0.400 A 59 GLY N N 15 108.706 0.400 A 60 GLU H H 1 8.246 0.020 A 60 GLU HA H 1 4.272 0.020 A 60 GLU HBy H 1 1.895 0.020 A 60 GLU HBx H 1 1.807 0.020 A 60 GLU HGy H 1 2.179 0.020 A 60 GLU HGx H 1 2.105 0.020 A 60 GLU C C 13 175.992 0.400 A 60 GLU CA C 13 56.363 0.400 A 60 GLU CB C 13 30.385 0.400 A 60 GLU CG C 13 36.139 0.400 A 60 GLU N N 15 120.238 0.400 A 61 TRP H H 1 8.330 0.020 A 61 TRP HA H 1 5.005 0.020 A 61 TRP HBy H 1 3.375 0.020 A 61 TRP HBx H 1 3.180 0.020 A 61 TRP HD1 H 1 7.268 0.020 A 61 TRP HE1 H 1 10.117 0.020 A 61 TRP HE3 H 1 7.709 0.020 A 61 TRP HH2 H 1 7.190 0.020 A 61 TRP HZ2 H 1 7.522 0.020 A 61 TRP HZ3 H 1 7.181 0.020 A 61 TRP CA C 13 54.905 0.400 A 61 TRP CB C 13 29.281 0.400 A 61 TRP CD1 C 13 124.453 0.400 A 61 TRP CE3 C 13 121.174 0.400 A 61 TRP CH2 C 13 122.435 0.400 A 61 TRP CZ2 C 13 114.614 0.400 A 61 TRP CZ3 C 13 121.078 0.400 A 61 TRP N N 15 123.067 0.400 A 61 TRP NE1 N 15 129.130 0.400 A 62 PRO HA H 1 4.534 0.020 A 62 PRO HBx H 1 2.019 0.020 A 62 PRO HBy H 1 2.019 0.020 A 62 PRO HDx H 1 3.696 0.020 A 62 PRO HDy H 1 3.696 0.020 A 62 PRO HGx H 1 2.072 0.020 A 62 PRO HGy H 1 2.072 0.020 A 62 PRO C C 13 176.634 0.400 A 62 PRO CA C 13 63.352 0.400 A 62 PRO CB C 13 32.170 0.400 A 62 PRO CD C 13 50.648 0.400 A 62 PRO CG C 13 27.452 0.400 A 63 ASN H H 1 8.446 0.020 A 63 ASN HA H 1 4.732 0.020 A 63 ASN HBy H 1 2.876 0.020 A 63 ASN HBx H 1 2.743 0.020 A 63 ASN HD2y H 1 7.635 0.020 A 63 ASN HD2x H 1 6.993 0.020 A 63 ASN C C 13 174.777 0.400 A 63 ASN CA C 13 53.081 0.400 A 63 ASN CB C 13 38.965 0.400 A 63 ASN N N 15 118.290 0.400 A 63 ASN ND2 N 15 113.065 0.400 A 64 LEU H H 1 8.197 0.020 A 64 LEU HA H 1 4.695 0.020 A 64 LEU HBx H 1 1.676 0.020 A 64 LEU HBy H 1 1.676 0.020 A 64 LEU HDx% H 1 0.975 0.020 A 64 LEU HDy% H 1 0.949 0.020 A 64 LEU HG H 1 1.622 0.020 A 64 LEU CA C 13 53.262 0.400 A 64 LEU CB C 13 42.119 0.400 A 64 LEU CD1 C 13 25.288 0.400 A 64 LEU CD2 C 13 23.577 0.400 A 64 LEU CG C 13 27.261 0.400 A 64 LEU N N 15 123.853 0.400 A 65 PRO HA H 1 4.495 0.020 A 65 PRO HBx H 1 1.960 0.020 A 65 PRO HBy H 1 1.960 0.020 A 65 PRO HDx H 1 3.596 0.020 A 65 PRO HDy H 1 3.596 0.020 A 65 PRO HGx H 1 2.000 0.020 A 65 PRO HGy H 1 2.000 0.020 A 65 PRO C C 13 177.023 0.400 A 65 PRO CA C 13 63.232 0.400 A 65 PRO CB C 13 31.994 0.400 A 65 PRO CD C 13 50.751 0.400 A 65 PRO CG C 13 27.549 0.400 A 66 SER H H 1 8.434 0.020 A 66 SER HA H 1 4.471 0.020 A 66 SER HBx H 1 3.928 0.020 A 66 SER HBy H 1 3.928 0.020 A 66 SER C C 13 174.769 0.400 A 66 SER CA C 13 58.393 0.400 A 66 SER CB C 13 63.882 0.400 A 66 SER N N 15 116.096 0.400 A 67 ARG H H 1 8.476 0.020 A 67 ARG HA H 1 4.457 0.020 A 67 ARG HBy H 1 1.977 0.020 A 67 ARG HBx H 1 1.827 0.020 A 67 ARG HDx H 1 3.240 0.020 A 67 ARG HDy H 1 3.240 0.020 A 67 ARG HE H 1 7.272 0.020 A 67 ARG HGx H 1 1.704 0.020 A 67 ARG HGy H 1 1.704 0.020 A 67 ARG C C 13 175.819 0.400 A 67 ARG CA C 13 56.099 0.400 A 67 ARG CB C 13 30.879 0.400 A 67 ARG CD C 13 43.429 0.400 A 67 ARG CG C 13 27.120 0.400 A 67 ARG N N 15 123.537 0.400 A 67 ARG NE N 15 84.054 0.400 A 68 GLY H H 1 8.107 0.020 A 68 GLY HAx H 1 3.805 0.020 A 68 GLY HAy H 1 3.805 0.020 A 68 GLY CA C 13 46.214 0.400 A 68 GLY N N 15 116.243 0.400 stop_ save_ save_Minor_Conformer _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode Minor_Conformer 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 59 GLY C C 13 173.881 0.400 A 60 GLU H H 1 8.358 0.020 A 60 GLU HA H 1 4.483 0.020 A 60 GLU HBx H 1 1.971 0.020 A 60 GLU HBy H 1 1.971 0.020 A 60 GLU HGx H 1 2.318 0.020 A 60 GLU HGy H 1 2.318 0.020 A 60 GLU C C 13 175.469 0.400 A 60 GLU CA C 13 55.970 0.400 A 60 GLU CB C 13 30.763 0.400 A 60 GLU CG C 13 36.235 0.400 A 60 GLU N N 15 120.386 0.400 A 61 TRP H H 1 8.491 0.020 A 61 TRP HA H 1 4.535 0.020 A 61 TRP HBy H 1 3.314 0.020 A 61 TRP HBx H 1 3.232 0.020 A 61 TRP HD1 H 1 7.275 0.020 A 61 TRP HE1 H 1 10.280 0.020 A 61 TRP CA C 13 56.410 0.400 A 61 TRP CB C 13 30.660 0.400 A 61 TRP CD1 C 13 127.442 0.400 A 61 TRP N N 15 124.078 0.400 A 61 TRP NE1 N 15 130.243 0.400 A 62 PRO HA H 1 4.541 0.020 A 62 PRO HBx H 1 1.691 0.020 A 62 PRO HBy H 1 1.691 0.020 A 62 PRO C C 13 175.601 0.400 A 62 PRO CA C 13 63.860 0.400 A 62 PRO CB C 13 32.622 0.400 A 63 ASN H H 1 8.515 0.020 A 63 ASN HA H 1 4.606 0.020 A 63 ASN HBy H 1 2.817 0.020 A 63 ASN HBx H 1 2.733 0.020 A 63 ASN C C 13 174.435 0.400 A 63 ASN CA C 13 53.458 0.400 A 63 ASN CB C 13 38.876 0.400 A 63 ASN N N 15 121.997 0.400 A 64 LEU H H 1 8.151 0.020 A 64 LEU HA H 1 4.645 0.020 A 64 LEU HBx H 1 1.617 0.020 A 64 LEU HBy H 1 1.617 0.020 A 64 LEU HDx% H 1 0.944 0.020 A 64 LEU HDy% H 1 0.944 0.020 A 64 LEU CA C 13 53.004 0.400 A 64 LEU CB C 13 42.059 0.400 A 64 LEU CD1 C 13 23.444 0.400 A 64 LEU N N 15 123.227 0.400 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _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 8 SER H A 9 CYS H 1.0 1.8 4.01 2 2 A 8 SER H A 49 CYS HBx 1.0 1.8 5.30 3 3 A 8 SER H A 10 ALA HB% 1.0 1.8 5.30 4 4 A 41 GLU H A 42 ARG H 1.0 1.8 4.79 5 5 A 42 ARG H A 48 THR H 1.0 1.8 5.25 6 6 A 41 GLU H A 39 HIS HD2 1.0 1.8 4.81 7 7 A 48 THR H A 42 ARG HDx 1.0 1.8 6.00 8 7 A 48 THR H A 42 ARG HDy 1.0 1.8 6.00 9 8 A 41 GLU H A 40 CYS HBx 1.0 1.8 4.31 10 9 A 48 THR H A 43 ARG HGx 1.0 1.8 4.29 11 9 A 48 THR H A 43 ARG HGy 1.0 1.8 4.29 12 10 A 48 THR H A 42 ARG HGy 1.0 1.8 4.87 13 11 A 48 THR H A 48 THR HG2% 1.0 1.8 4.20 14 12 A 41 GLU H A 40 CYS H 1.0 1.8 4.61 15 13 A 11 ARG H A 12 MET HA 1.0 1.8 5.18 16 14 A 11 ARG H A 18 GLY HAx 1.0 1.8 6.00 17 15 A 40 CYS H A 40 CYS HBy 1.0 1.8 3.74 18 16 A 11 ARG H A 9 CYS HBy 1.0 1.8 5.45 19 17 A 40 CYS H A 9 CYS HBy 1.0 1.8 6.00 20 18 A 11 ARG H A 22 ALA H 1.0 1.8 5.49 21 19 A 42 ARG H A 50 VAL HGy% 1.0 1.8 5.63 22 20 A 42 ARG H A 39 HIS HD2 1.0 1.8 5.76 23 21 A 42 ARG H A 42 ARG HDx 1.0 1.8 4.73 24 21 A 42 ARG H A 42 ARG HDy 1.0 1.8 4.73 25 22 A 42 ARG H A 41 GLU HBy 1.0 1.8 3.94 26 23 A 42 ARG H A 42 ARG HGx 1.0 1.8 4.45 27 24 A 41 GLU H A 50 VAL H 1.0 1.8 4.21 28 25 A 53 ARG H A 53 ARG HE 1.0 1.8 3.98 29 26 A 30 CYS H A 38 GLY HAx 1.0 1.8 4.38 30 27 A 50 VAL H A 48 THR HB 1.0 1.8 5.47 31 28 A 30 CYS H A 35 CYS HBy 1.0 1.8 6.00 32 29 A 30 CYS H A 35 CYS HBx 1.0 1.8 5.08 33 30 A 6 PHE H A 5 ASP HBx 1.0 1.8 4.49 34 31 A 40 CYS H A 50 VAL H 1.0 1.8 5.20 35 32 A 50 VAL H A 51 CYS H 1.0 1.8 4.58 36 33 A 50 VAL H A 39 HIS H 1.0 1.8 3.78 37 34 A 50 VAL H A 49 CYS HBy 1.0 1.8 4.88 38 35 A 54 CYS H A 54 CYS HBx 1.0 1.8 4.07 39 36 A 12 MET HA A 22 ALA H 1.0 1.8 4.45 40 37 A 22 ALA H A 21 VAL HGy% 1.0 1.8 3.77 41 38 A 13 ASN H A 13 ASN HBy 1.0 1.8 3.99 42 39 A 51 CYS H A 51 CYS HBx 1.0 1.8 3.50 43 40 A 51 CYS H A 50 VAL HGx% 1.0 1.8 4.24 44 41 A 9 CYS H A 48 THR H 1.0 1.8 6.00 45 42 A 9 CYS H A 11 ARG H 1.0 1.8 4.86 46 43 A 11 ARG H A 13 ASN H 1.0 1.8 5.16 47 44 A 13 ASN H A 12 MET H 1.0 1.8 3.39 48 45 A 9 CYS H A 40 CYS HBy 1.0 1.8 5.81 49 46 A 26 CYS H A 23 GLN HGx 1.0 1.8 5.25 50 46 A 23 GLN HGy A 26 CYS H 1.0 1.8 5.25 51 47 A 31 LYS H A 33 GLN H 1.0 1.8 4.50 52 48 A 27 ILE H A 29 SER H 1.0 1.8 4.73 53 49 A 31 LYS H A 29 SER H 1.0 1.8 5.13 54 50 A 27 ILE H A 24 ALA HA 1.0 1.8 3.93 55 51 A 36 GLY H A 52 SER H 1.0 1.8 5.07 56 52 A 43 ARG H A 45 GLY H 1.0 1.8 5.43 57 53 A 27 ILE H A 28 SER H 1.0 1.8 3.40 58 54 A 27 ILE H A 38 GLY H 1.0 1.8 5.38 59 55 A 52 SER H A 38 GLY H 1.0 1.8 5.74 60 56 A 34 ASN HBx A 55 GLY H 1.0 1.8 5.52 61 57 A 54 CYS H A 56 ASN H 1.0 1.8 6.00 62 58 A 40 CYS H A 39 HIS H 1.0 1.8 4.46 63 59 A 48 THR H A 49 CYS H 1.0 1.8 4.49 64 60 A 39 HIS HD2 A 39 HIS H 1.0 1.8 4.88 65 61 A 48 THR HB A 49 CYS H 1.0 1.8 4.82 66 62 A 49 CYS H A 49 CYS HBy 1.0 1.8 3.68 67 63 A 19 ALA HA A 21 VAL H 1.0 1.8 4.58 68 64 A 22 ALA H A 21 VAL H 1.0 1.8 3.16 69 65 A 67 ARG H A 67 ARG HDx 1.0 1.8 3.84 70 65 A 67 ARG H A 67 ARG HDy 1.0 1.8 3.84 71 66 A 21 VAL H A 17 LEU HBx 1.0 1.8 5.94 72 66 A 21 VAL H A 17 LEU HBy 1.0 1.8 5.94 73 67 A 21 VAL H A 20 LYS HDx 1.0 1.8 6.00 74 67 A 21 VAL H A 20 LYS HDy 1.0 1.8 6.00 75 68 A 27 ILE H A 25 ALA H 1.0 1.8 4.63 76 69 A 25 ALA H A 24 ALA H 1.0 1.8 3.17 77 70 A 25 ALA H A 26 CYS HBx 1.0 1.8 4.67 78 70 A 25 ALA H A 26 CYS HBy 1.0 1.8 4.67 79 71 A 21 VAL H A 11 ARG HBx 1.0 1.8 4.75 80 71 A 21 VAL H A 11 ARG HBy 1.0 1.8 4.75 81 72 A 63 ASN H A 63 ASN HBy 1.0 1.8 4.12 82 73 A 30 CYS H A 29 SER H 1.0 1.8 3.26 83 74 A 39 HIS HE1 A 50 VAL HB 1.0 1.8 4.99 84 75 A 29 SER H A 27 ILE HG2% 1.0 1.8 5.67 85 76 A 39 HIS HE1 A 37 THR HG2% 1.0 1.8 6.00 86 77 A 50 VAL HGx% A 39 HIS HE1 1.0 1.8 5.35 87 78 A 48 THR H A 43 ARG H 1.0 1.8 4.29 88 79 A 42 ARG H A 43 ARG H 1.0 1.8 4.58 89 80 A 43 ARG H A 43 ARG HDx 1.0 1.8 4.97 90 80 A 43 ARG H A 43 ARG HDy 1.0 1.8 4.97 91 81 A 36 GLY H A 54 CYS HBy 1.0 1.8 5.63 92 82 A 35 CYS HBx A 36 GLY H 1.0 1.8 4.33 93 83 A 36 GLY H A 37 THR HG2% 1.0 1.8 4.80 94 84 A 54 CYS H A 36 GLY H 1.0 1.8 5.49 95 85 A 36 GLY H A 54 CYS HBx 1.0 1.8 5.63 96 86 A 36 GLY H A 30 CYS HBx 1.0 1.8 5.27 97 86 A 36 GLY H A 30 CYS HBy 1.0 1.8 5.27 98 87 A 61 TRP H A 60 GLU HGx 1.0 1.8 5.26 99 88 A 61 TRP H A 60 GLU H 1.0 1.8 4.62 100 89 A 30 CYS H A 35 CYS H 1.0 1.8 6.00 101 90 A 31 LYS H A 35 CYS H 1.0 1.8 4.73 102 91 A 35 CYS HBy A 35 CYS H 1.0 1.8 4.02 103 92 A 34 ASN HBx A 35 CYS H 1.0 1.8 5.12 104 93 A 64 LEU H A 62 PRO HBx 1.0 1.8 6.00 105 93 A 62 PRO HBy A 64 LEU H 1.0 1.8 6.00 106 94 A 63 ASN H A 64 LEU H 1.0 1.8 4.05 107 95 A 64 LEU H A 61 TRP HD1 1.0 1.8 5.00 108 96 A 4 LEU H A 4 LEU HG 1.0 1.8 3.60 109 97 A 67 ARG H A 68 GLY H 1.0 1.8 4.79 110 98 A 68 GLY H A 67 ARG HE 1.0 1.8 5.29 111 99 A 5 ASP H A 5 ASP HBy 1.0 1.8 3.88 112 100 A 5 ASP H A 4 LEU HBx 1.0 1.8 4.16 113 101 A 11 ARG H A 14 ASP H 1.0 1.8 6.00 114 102 A 35 CYS H A 34 ASN H 1.0 1.8 3.30 115 103 A 35 CYS HBx A 32 PHE H 1.0 1.8 5.74 116 104 A 35 CYS HBx A 34 ASN H 1.0 1.8 5.95 117 105 A 14 ASP H A 12 MET HBy 1.0 1.8 5.51 118 106 A 31 LYS H A 32 PHE H 1.0 1.8 3.46 119 107 A 32 PHE H A 29 SER HA 1.0 1.8 4.99 120 108 A 16 ALA HB% A 19 ALA H 1.0 1.8 4.92 121 109 A 29 SER H A 28 SER H 1.0 1.8 3.34 122 110 A 12 MET H A 10 ALA HA 1.0 1.8 4.60 123 111 A 19 ALA H A 14 ASP HBx 1.0 1.8 4.89 124 112 A 12 MET H A 12 MET HGy 1.0 1.8 3.40 125 113 A 19 ALA H A 19 ALA HB% 1.0 1.8 2.73 126 114 A 22 ALA HB% A 23 GLN H 1.0 1.8 3.11 127 115 A 21 VAL HGy% A 19 ALA H 1.0 1.8 4.95 128 116 A 22 ALA H A 23 GLN H 1.0 1.8 3.32 129 117 A 24 ALA H A 23 GLN H 1.0 1.8 3.23 130 118 A 12 MET H A 11 ARG HBx 1.0 1.8 3.87 131 118 A 12 MET H A 11 ARG HBy 1.0 1.8 3.87 132 119 A 23 GLN H A 21 VAL HGx% 1.0 1.8 5.42 133 120 A 35 CYS H A 37 THR H 1.0 1.8 6.00 134 121 A 53 ARG H A 37 THR H 1.0 1.8 5.30 135 122 A 52 SER H A 37 THR H 1.0 1.8 3.74 136 123 A 35 CYS HBx A 37 THR H 1.0 1.8 4.91 137 124 A 22 ALA H A 24 ALA H 1.0 1.8 4.30 138 125 A 14 ASP H A 15 GLY H 1.0 1.8 3.69 139 126 A 11 ARG HE A 11 ARG HBx 1.0 1.8 3.66 140 126 A 11 ARG HBy A 11 ARG HE 1.0 1.8 3.66 141 127 A 24 ALA H A 20 LYS HBx 1.0 1.8 5.22 142 127 A 24 ALA H A 20 LYS HBy 1.0 1.8 5.22 143 128 A 37 THR H A 51 CYS HBy 1.0 1.8 4.64 144 129 A 21 VAL HGx% A 11 ARG HE 1.0 1.8 4.97 145 130 A 11 ARG H A 11 ARG HE 1.0 1.8 5.37 146 131 A 14 ASP H A 18 GLY H 1.0 1.8 4.57 147 132 A 18 GLY H A 17 LEU H 1.0 1.8 3.30 148 133 A 15 GLY H A 18 GLY H 1.0 1.8 4.57 149 134 A 18 GLY H A 14 ASP HBy 1.0 1.8 5.20 150 135 A 19 ALA H A 18 GLY H 1.0 1.8 3.16 151 136 A 19 ALA H A 20 LYS H 1.0 1.8 3.44 152 137 A 16 ALA HB% A 18 GLY H 1.0 1.8 4.80 153 138 A 21 VAL H A 20 LYS H 1.0 1.8 3.16 154 139 A 20 LYS H A 20 LYS HEx 1.0 1.8 5.19 155 139 A 20 LYS H A 20 LYS HEy 1.0 1.8 5.19 156 140 A 18 GLY H A 21 VAL HB 1.0 1.8 6.00 157 141 A 20 LYS H A 21 VAL HB 1.0 1.8 6.00 158 142 A 20 LYS H A 23 GLN HBx 1.0 1.8 6.00 159 143 A 20 LYS H A 17 LEU HDx% 1.0 1.8 4.29 160 144 A 33 GLN H A 31 LYS HA 1.0 1.8 6.00 161 145 A 30 CYS H A 33 GLN H 1.0 1.8 5.08 162 146 A 33 GLN H A 35 CYS H 1.0 1.8 4.08 163 147 A 33 GLN H A 33 GLN HE2x 1.0 1.8 4.34 164 148 A 33 GLN H A 34 ASN HBx 1.0 1.8 5.49 165 149 A 31 LYS H A 32 PHE HD% 1.0 1.8 5.71 166 150 A 6 PHE H A 6 PHE HE% 1.0 1.8 4.97 167 151 A 8 SER H A 10 ALA H 1.0 1.8 5.13 168 152 A 11 ARG H A 10 ALA H 1.0 1.8 3.70 169 153 A 9 CYS H A 10 ALA H 1.0 1.8 3.25 170 154 A 12 MET H A 10 ALA H 1.0 1.8 4.62 171 155 A 42 ARG HE A 45 GLY HAx 1.0 1.8 5.52 172 156 A 10 ALA H A 11 ARG HBx 1.0 1.8 5.73 173 156 A 11 ARG HBy A 10 ALA H 1.0 1.8 5.73 174 157 A 10 ALA H A 11 ARG HGx 1.0 1.8 4.72 175 157 A 10 ALA H A 11 ARG HGy 1.0 1.8 4.72 176 158 A 42 ARG HE A 42 ARG HBy 1.0 1.8 5.49 177 159 A 43 ARG H A 42 ARG HE 1.0 1.8 4.71 178 160 A 61 TRP HD1 A 65 PRO HDx 1.0 1.8 3.36 179 160 A 61 TRP HD1 A 65 PRO HDy 1.0 1.8 3.36 180 161 A 6 PHE HZ A 46 ARG HDx 1.0 1.8 3.24 181 161 A 6 PHE HZ A 46 ARG HDy 1.0 1.8 3.24 182 162 A 53 ARG HE A 52 SER HBx 1.0 1.8 5.32 183 162 A 53 ARG HE A 52 SER HBy 1.0 1.8 5.32 184 163 A 23 GLN HE2y A 27 ILE HD1% 1.0 1.8 4.04 185 164 A 39 HIS HD2 A 40 CYS H 1.0 1.8 4.22 186 165 A 30 CYS H A 33 GLN HE2x 1.0 1.8 4.96 187 166 A 39 HIS HD2 A 50 VAL H 1.0 1.8 5.46 188 167 A 31 LYS H A 33 GLN HE2x 1.0 1.8 5.82 189 168 A 32 PHE H A 33 GLN HE2x 1.0 1.8 5.43 190 169 A 33 GLN HE2x A 32 PHE HBy 1.0 1.8 5.51 191 170 A 33 GLN HE2x A 32 PHE HBx 1.0 1.8 5.45 192 171 A 23 GLN HE2y A 24 ALA HB% 1.0 1.8 5.15 193 172 A 39 HIS HD2 A 12 MET HE% 1.0 1.8 5.32 194 173 A 39 HIS HD2 A 50 VAL HGx% 1.0 1.8 5.25 195 174 A 6 PHE HZ A 46 ARG HE 1.0 1.8 5.37 196 175 A 22 ALA HB% A 40 CYS HA 1.0 1.8 5.24 197 176 A 41 GLU H A 40 CYS HA 1.0 1.8 2.91 198 177 A 50 VAL H A 40 CYS HA 1.0 1.8 3.72 199 178 A 52 SER H A 51 CYS HA 1.0 1.8 3.10 200 179 A 39 HIS H A 51 CYS HA 1.0 1.8 3.79 201 180 A 38 GLY H A 51 CYS HA 1.0 1.8 4.86 202 181 A 37 THR H A 51 CYS HA 1.0 1.8 4.96 203 182 A 39 HIS HD2 A 40 CYS HA 1.0 1.8 4.86 204 183 A 38 GLY HAx A 51 CYS HA 1.0 1.8 3.88 205 184 A 9 CYS HBy A 40 CYS HA 1.0 1.8 4.73 206 185 A 35 CYS HBy A 51 CYS HA 1.0 1.8 4.54 207 186 A 40 CYS HA A 39 HIS HBx 1.0 1.8 5.24 208 186 A 40 CYS HA A 39 HIS HBy 1.0 1.8 5.24 209 187 A 51 CYS HA A 39 HIS HBx 1.0 1.8 5.70 210 187 A 51 CYS HA A 39 HIS HBy 1.0 1.8 5.70 211 188 A 40 CYS HA A 9 CYS HBx 1.0 1.8 3.93 212 189 A 41 GLU HBy A 40 CYS HA 1.0 1.8 5.01 213 190 A 12 MET HE% A 40 CYS HA 1.0 1.8 4.10 214 191 A 50 VAL HB A 51 CYS HA 1.0 1.8 4.98 215 192 A 37 THR HG2% A 51 CYS HA 1.0 1.8 4.51 216 193 A 50 VAL HGy% A 40 CYS HA 1.0 1.8 4.97 217 194 A 50 VAL HGy% A 51 CYS HA 1.0 1.8 5.42 218 195 A 54 CYS H A 35 CYS HA 1.0 1.8 4.95 219 196 A 55 GLY H A 35 CYS HA 1.0 1.8 4.07 220 197 A 36 GLY H A 35 CYS HA 1.0 1.8 3.36 221 198 A 37 THR H A 35 CYS HA 1.0 1.8 4.62 222 199 A 35 CYS HA A 36 GLY HAx 1.0 1.8 4.64 223 200 A 35 CYS HA A 54 CYS HBy 1.0 1.8 4.69 224 201 A 35 CYS HA A 30 CYS HBx 1.0 1.8 4.93 225 201 A 30 CYS HBy A 35 CYS HA 1.0 1.8 4.93 226 202 A 35 CYS HA A 33 GLN HGy 1.0 1.8 5.55 227 203 A 34 ASN H A 35 CYS HA 1.0 1.8 5.33 228 204 A 35 CYS HA A 36 GLY HAy 1.0 1.8 4.87 229 205 A 51 CYS HBy A 35 CYS HA 1.0 1.8 4.82 230 206 A 35 CYS HA A 54 CYS HBx 1.0 1.8 4.69 231 207 A 51 CYS HBx A 35 CYS HA 1.0 1.8 5.50 232 208 A 35 CYS HA A 53 ARG HBx 1.0 1.8 5.02 233 208 A 35 CYS HA A 53 ARG HBy 1.0 1.8 5.02 234 209 A 13 ASN HA A 15 GLY HAx 1.0 1.8 5.42 235 210 A 12 MET H A 13 ASN HA 1.0 1.8 5.59 236 211 A 15 GLY H A 13 ASN HA 1.0 1.8 3.70 237 212 A 12 MET HA A 13 ASN HA 1.0 1.8 4.77 238 213 A 14 ASP HBy A 13 ASN HA 1.0 1.8 5.46 239 214 A 12 MET HBy A 13 ASN HA 1.0 1.8 4.97 240 215 A 14 ASP HBx A 13 ASN HA 1.0 1.8 5.91 241 216 A 37 THR HG2% A 38 GLY HAy 1.0 1.8 4.19 242 217 A 39 HIS H A 38 GLY HAy 1.0 1.8 3.27 243 218 A 39 HIS HE1 A 38 GLY HAy 1.0 1.8 6.00 244 219 A 37 THR H A 54 CYS HA 1.0 1.8 5.47 245 220 A 35 CYS HBx A 54 CYS HA 1.0 1.8 5.06 246 221 A 36 GLY H A 54 CYS HA 1.0 1.8 3.63 247 222 A 64 LEU H A 61 TRP HA 1.0 1.8 4.40 248 223 A 35 CYS HA A 54 CYS HA 1.0 1.8 3.93 249 224 A 61 TRP HA A 65 PRO HDx 1.0 1.8 3.65 250 224 A 65 PRO HDy A 61 TRP HA 1.0 1.8 3.65 251 225 A 54 CYS HA A 53 ARG HBx 1.0 1.8 4.82 252 225 A 53 ARG HBy A 54 CYS HA 1.0 1.8 4.82 253 226 A 61 TRP HA A 65 PRO HGx 1.0 1.8 5.14 254 226 A 61 TRP HA A 65 PRO HGy 1.0 1.8 5.14 255 227 A 23 GLN HA A 39 HIS HA 1.0 1.8 4.85 256 228 A 54 CYS HA A 53 ARG HA 1.0 1.8 5.61 257 229 A 50 VAL H A 49 CYS HA 1.0 1.8 2.94 258 230 A 39 HIS HD2 A 39 HIS HA 1.0 1.8 4.34 259 231 A 40 CYS HA A 49 CYS HA 1.0 1.8 3.75 260 232 A 27 ILE HD1% A 39 HIS HA 1.0 1.8 4.92 261 233 A 50 VAL HGy% A 49 CYS HA 1.0 1.8 4.43 262 234 A 41 GLU H A 49 CYS HA 1.0 1.8 3.73 263 235 A 40 CYS H A 39 HIS HA 1.0 1.8 2.93 264 236 A 49 CYS HA A 50 VAL HA 1.0 1.8 5.05 265 237 A 23 GLN HBx A 39 HIS HA 1.0 1.8 5.80 266 238 A 41 GLU HBy A 49 CYS HA 1.0 1.8 6.00 267 239 A 50 VAL HGx% A 49 CYS HA 1.0 1.8 3.98 268 240 A 6 PHE HE% A 46 ARG HA 1.0 1.8 5.22 269 241 A 6 PHE HZ A 46 ARG HA 1.0 1.8 4.51 270 242 A 46 ARG HA A 47 PRO HDx 1.0 1.8 3.14 271 242 A 46 ARG HA A 47 PRO HDy 1.0 1.8 3.14 272 243 A 45 GLY HAx A 46 ARG HA 1.0 1.8 4.94 273 244 A 46 ARG HA A 46 ARG HDx 1.0 1.8 4.73 274 244 A 46 ARG HDy A 46 ARG HA 1.0 1.8 4.73 275 245 A 46 ARG HA A 47 PRO HBx 1.0 1.8 4.72 276 245 A 46 ARG HA A 47 PRO HBy 1.0 1.8 4.72 277 246 A 46 ARG HA A 47 PRO HGx 1.0 1.8 4.75 278 246 A 46 ARG HA A 47 PRO HGy 1.0 1.8 4.75 279 247 A 46 ARG HA A 46 ARG HGx 1.0 1.8 3.69 280 247 A 46 ARG HA A 46 ARG HGy 1.0 1.8 3.69 281 248 A 48 THR HB A 49 CYS HA 1.0 1.8 5.33 282 249 A 15 GLY H A 14 ASP HA 1.0 1.8 3.15 283 250 A 53 ARG H A 52 SER HA 1.0 1.8 3.43 284 251 A 37 THR H A 52 SER HA 1.0 1.8 5.05 285 252 A 53 ARG HA A 52 SER HA 1.0 1.8 4.52 286 253 A 8 SER H A 9 CYS HA 1.0 1.8 5.39 287 254 A 11 ARG H A 9 CYS HA 1.0 1.8 4.27 288 255 A 54 CYS H A 52 SER HA 1.0 1.8 4.28 289 256 A 12 MET H A 9 CYS HA 1.0 1.8 4.11 290 257 A 43 ARG HA A 43 ARG HE 1.0 1.8 5.02 291 258 A 9 CYS HA A 22 ALA HA 1.0 1.8 4.77 292 259 A 10 ALA HA A 9 CYS HA 1.0 1.8 5.09 293 260 A 35 CYS HBy A 52 SER HA 1.0 1.8 5.87 294 261 A 43 ARG HA A 43 ARG HDx 1.0 1.8 3.78 295 261 A 43 ARG HDy A 43 ARG HA 1.0 1.8 3.78 296 262 A 9 CYS HA A 11 ARG HDx 1.0 1.8 4.03 297 262 A 9 CYS HA A 11 ARG HDy 1.0 1.8 4.03 298 263 A 40 CYS HBx A 41 GLU HA 1.0 1.8 4.64 299 264 A 43 ARG HA A 43 ARG HGx 1.0 1.8 3.17 300 264 A 43 ARG HGy A 43 ARG HA 1.0 1.8 3.17 301 265 A 22 ALA HB% A 9 CYS HA 1.0 1.8 2.82 302 266 A 37 THR HG2% A 52 SER HA 1.0 1.8 4.55 303 267 A 50 VAL HGy% A 41 GLU HA 1.0 1.8 4.77 304 268 A 40 CYS HA A 41 GLU HA 1.0 1.8 4.85 305 269 A 51 CYS HA A 52 SER HA 1.0 1.8 5.23 306 270 A 40 CYS HBy A 9 CYS HA 1.0 1.8 4.49 307 271 A 42 ARG H A 41 GLU HA 1.0 1.8 3.02 308 272 A 64 LEU H A 63 ASN HA 1.0 1.8 3.43 309 273 A 39 HIS HD2 A 41 GLU HA 1.0 1.8 4.26 310 274 A 41 GLU HA A 41 GLU HGx 1.0 1.8 3.57 311 274 A 41 GLU HA A 41 GLU HGy 1.0 1.8 3.57 312 275 A 50 VAL HGx% A 41 GLU HA 1.0 1.8 4.96 313 276 A 29 SER H A 26 CYS HA 1.0 1.8 3.90 314 277 A 61 TRP HD1 A 64 LEU HA 1.0 1.8 4.87 315 278 A 29 SER HA A 26 CYS HA 1.0 1.8 5.77 316 279 A 26 CYS HA A 29 SER HBx 1.0 1.8 4.05 317 279 A 26 CYS HA A 29 SER HBy 1.0 1.8 4.05 318 280 A 38 GLY HAx A 26 CYS HA 1.0 1.8 4.86 319 281 A 43 ARG H A 42 ARG HA 1.0 1.8 2.87 320 282 A 26 CYS HA A 8 SER HBx 1.0 1.8 4.17 321 282 A 26 CYS HA A 8 SER HBy 1.0 1.8 4.17 322 283 A 42 ARG HA A 42 ARG HDx 1.0 1.8 4.49 323 283 A 42 ARG HDy A 42 ARG HA 1.0 1.8 4.49 324 284 A 42 ARG HGy A 42 ARG HA 1.0 1.8 3.78 325 285 A 42 ARG HGx A 42 ARG HA 1.0 1.8 3.74 326 286 A 4 LEU HG A 5 ASP HA 1.0 1.8 3.89 327 287 A 6 PHE H A 5 ASP HA 1.0 1.8 3.05 328 288 A 2 SER HA A 3 ALA HB% 1.0 1.8 4.51 329 289 A 6 PHE HE% A 7 THR HA 1.0 1.8 5.38 330 290 A 10 ALA H A 7 THR HA 1.0 1.8 5.72 331 291 A 7 THR HA A 7 THR HG2% 1.0 1.8 3.33 332 292 A 9 CYS H A 7 THR HA 1.0 1.8 4.20 333 293 A 31 LYS HA A 31 LYS HGx 1.0 1.8 3.98 334 294 A 50 VAL HGx% A 48 THR HA 1.0 1.8 5.08 335 295 A 35 CYS H A 31 LYS HA 1.0 1.8 3.32 336 296 A 3 ALA HA A 4 LEU HA 1.0 1.8 5.17 337 297 A 31 LYS HA A 34 ASN HA 1.0 1.8 5.41 338 298 A 35 CYS HBx A 31 LYS HA 1.0 1.8 4.64 339 299 A 31 LYS HA A 31 LYS HGy 1.0 1.8 3.57 340 300 A 48 THR HG2% A 48 THR HA 1.0 1.8 3.05 341 301 A 31 LYS HA A 31 LYS HEx 1.0 1.8 5.09 342 301 A 31 LYS HA A 31 LYS HEy 1.0 1.8 5.09 343 302 A 65 PRO HA A 66 SER H 1.0 1.8 3.14 344 303 A 38 GLY H A 37 THR HA 1.0 1.8 3.09 345 304 A 67 ARG H A 66 SER HA 1.0 1.8 3.14 346 305 A 30 CYS HA A 33 GLN HGx 1.0 1.8 3.97 347 306 A 4 LEU H A 3 ALA HA 1.0 1.8 2.85 348 307 A 67 ARG HE A 67 ARG HA 1.0 1.8 4.96 349 308 A 33 GLN HE2x A 30 CYS HA 1.0 1.8 3.99 350 309 A 30 CYS HA A 29 SER HBx 1.0 1.8 4.88 351 309 A 29 SER HBy A 30 CYS HA 1.0 1.8 4.88 352 310 A 23 GLN HA A 22 ALA HA 1.0 1.8 5.04 353 311 A 35 CYS HBy A 30 CYS HA 1.0 1.8 4.28 354 312 A 22 ALA HA A 11 ARG HGx 1.0 1.8 3.59 355 312 A 11 ARG HGy A 22 ALA HA 1.0 1.8 3.59 356 313 A 67 ARG HA A 67 ARG HGx 1.0 1.8 3.94 357 313 A 67 ARG HA A 67 ARG HGy 1.0 1.8 3.94 358 314 A 21 VAL HGy% A 22 ALA HA 1.0 1.8 5.46 359 315 A 21 VAL HGx% A 22 ALA HA 1.0 1.8 3.96 360 316 A 3 ALA HA A 4 LEU HDy% 1.0 1.8 4.02 361 317 A 34 ASN H A 34 ASN HA 1.0 1.8 2.63 362 318 A 10 ALA H A 11 ARG HA 1.0 1.8 5.74 363 319 A 10 ALA H A 22 ALA HA 1.0 1.8 6.00 364 320 A 35 CYS HBx A 30 CYS HA 1.0 1.8 3.97 365 321 A 3 ALA HA A 4 LEU HBy 1.0 1.8 4.56 366 322 A 18 GLY HAx A 11 ARG HA 1.0 1.8 4.73 367 323 A 22 ALA HA A 11 ARG HDx 1.0 1.8 4.13 368 323 A 22 ALA HA A 11 ARG HDy 1.0 1.8 4.13 369 324 A 14 ASP HBy A 11 ARG HA 1.0 1.8 4.11 370 325 A 14 ASP HBx A 11 ARG HA 1.0 1.8 3.94 371 326 A 18 GLY H A 15 GLY HAy 1.0 1.8 4.46 372 327 A 16 ALA HB% A 15 GLY HAy 1.0 1.8 4.31 373 328 A 29 SER HA A 32 PHE HBx 1.0 1.8 4.22 374 329 A 31 LYS H A 29 SER HA 1.0 1.8 4.85 375 330 A 29 SER HA A 32 PHE HBy 1.0 1.8 3.78 376 331 A 29 SER HA A 31 LYS HBx 1.0 1.8 5.54 377 331 A 29 SER HA A 31 LYS HBy 1.0 1.8 5.54 378 332 A 20 LYS H A 17 LEU HA 1.0 1.8 4.17 379 333 A 42 ARG HE A 45 GLY HAy 1.0 1.8 5.22 380 334 A 17 LEU HA A 20 LYS HEx 1.0 1.8 4.74 381 334 A 20 LYS HEy A 17 LEU HA 1.0 1.8 4.74 382 335 A 17 LEU HA A 20 LYS HBx 1.0 1.8 3.54 383 335 A 20 LYS HBy A 17 LEU HA 1.0 1.8 3.54 384 336 A 17 LEU HA A 17 LEU HBx 1.0 1.8 2.97 385 336 A 17 LEU HBy A 17 LEU HA 1.0 1.8 2.97 386 337 A 16 ALA HB% A 17 LEU HA 1.0 1.8 4.21 387 338 A 45 GLY HAy A 46 ARG HGx 1.0 1.8 4.54 388 338 A 46 ARG HGy A 45 GLY HAy 1.0 1.8 4.54 389 339 A 17 LEU HDx% A 17 LEU HA 1.0 1.8 3.15 390 340 A 8 SER H A 7 THR HB 1.0 1.8 4.06 391 341 A 6 PHE HE% A 7 THR HB 1.0 1.8 5.51 392 342 A 10 ALA H A 7 THR HB 1.0 1.8 5.90 393 343 A 6 PHE HZ A 7 THR HB 1.0 1.8 5.64 394 344 A 41 GLU H A 50 VAL HA 1.0 1.8 5.51 395 345 A 51 CYS H A 50 VAL HA 1.0 1.8 2.84 396 346 A 38 GLY H A 37 THR HB 1.0 1.8 4.12 397 347 A 51 CYS HBx A 50 VAL HA 1.0 1.8 4.59 398 348 A 50 VAL HGx% A 50 VAL HA 1.0 1.8 3.15 399 349 A 51 CYS HA A 50 VAL HA 1.0 1.8 4.85 400 350 A 20 LYS HA A 20 LYS HEx 1.0 1.8 4.60 401 350 A 20 LYS HEy A 20 LYS HA 1.0 1.8 4.60 402 351 A 15 GLY HAx A 16 ALA HA 1.0 1.8 4.55 403 352 A 20 LYS HA A 20 LYS HBx 1.0 1.8 2.84 404 352 A 20 LYS HBy A 20 LYS HA 1.0 1.8 2.84 405 353 A 20 LYS HA A 20 LYS HDx 1.0 1.8 3.96 406 353 A 20 LYS HDy A 20 LYS HA 1.0 1.8 3.96 407 354 A 50 VAL HB A 50 VAL HA 1.0 1.8 2.97 408 355 A 30 CYS H A 29 SER HBx 1.0 1.8 3.48 409 355 A 30 CYS H A 29 SER HBy 1.0 1.8 3.48 410 356 A 20 LYS HA A 23 GLN HGx 1.0 1.8 3.94 411 356 A 23 GLN HGy A 20 LYS HA 1.0 1.8 3.94 412 357 A 29 SER H A 29 SER HBx 1.0 1.8 3.11 413 357 A 29 SER H A 29 SER HBy 1.0 1.8 3.11 414 358 A 32 PHE H A 28 SER HBx 1.0 1.8 5.84 415 358 A 32 PHE H A 28 SER HBy 1.0 1.8 5.84 416 359 A 32 PHE H A 29 SER HBx 1.0 1.8 6.00 417 359 A 32 PHE H A 29 SER HBy 1.0 1.8 6.00 418 360 A 28 SER H A 28 SER HBx 1.0 1.8 2.95 419 360 A 28 SER H A 28 SER HBy 1.0 1.8 2.95 420 361 A 33 GLN HE2x A 29 SER HBx 1.0 1.8 5.06 421 361 A 33 GLN HE2x A 29 SER HBy 1.0 1.8 5.06 422 362 A 28 SER HA A 28 SER HBx 1.0 1.8 2.88 423 362 A 28 SER HBy A 28 SER HA 1.0 1.8 2.88 424 363 A 32 PHE HBy A 28 SER HBx 1.0 1.8 5.51 425 363 A 32 PHE HBy A 28 SER HBy 1.0 1.8 5.51 426 364 A 32 PHE HBy A 29 SER HBx 1.0 1.8 5.77 427 364 A 32 PHE HBy A 29 SER HBy 1.0 1.8 5.77 428 365 A 28 SER HBx A 31 LYS HEx 1.0 1.8 4.64 429 365 A 28 SER HBy A 31 LYS HEx 1.0 1.8 4.64 430 365 A 31 LYS HEy A 28 SER HBx 1.0 1.8 4.64 431 365 A 31 LYS HEy A 28 SER HBy 1.0 1.8 4.64 432 366 A 10 ALA H A 8 SER HA 1.0 1.8 4.48 433 367 A 24 ALA HA A 27 ILE HB 1.0 1.8 3.34 434 368 A 38 GLY HAx A 39 HIS H 1.0 1.8 3.32 435 369 A 38 GLY HAx A 51 CYS HBy 1.0 1.8 4.57 436 370 A 38 GLY HAx A 35 CYS HBx 1.0 1.8 5.65 437 371 A 38 GLY HAx A 30 CYS HBx 1.0 1.8 3.99 438 371 A 38 GLY HAx A 30 CYS HBy 1.0 1.8 3.99 439 372 A 56 ASN H A 55 GLY HAx 1.0 1.8 3.27 440 372 A 56 ASN H A 55 GLY HAy 1.0 1.8 3.27 441 373 A 23 GLN HE2y A 23 GLN HA 1.0 1.8 5.31 442 374 A 34 ASN HBy A 55 GLY HAx 1.0 1.8 4.17 443 374 A 55 GLY HAy A 34 ASN HBy 1.0 1.8 4.17 444 375 A 23 GLN HA A 26 CYS HBx 1.0 1.8 3.53 445 375 A 26 CYS HBy A 23 GLN HA 1.0 1.8 3.53 446 376 A 40 CYS H A 23 GLN HA 1.0 1.8 4.32 447 377 A 26 CYS H A 23 GLN HA 1.0 1.8 3.60 448 378 A 19 ALA H A 18 GLY HAy 1.0 1.8 3.24 449 379 A 12 MET HA A 19 ALA HA 1.0 1.8 2.93 450 380 A 28 SER HA A 27 ILE HA 1.0 1.8 4.92 451 381 A 19 ALA HA A 12 MET HBy 1.0 1.8 3.90 452 382 A 28 SER HA A 31 LYS HDx 1.0 1.8 3.45 453 382 A 28 SER HA A 31 LYS HDy 1.0 1.8 3.45 454 383 A 27 ILE HG2% A 28 SER HA 1.0 1.8 3.51 455 384 A 19 ALA HA A 20 LYS HEx 1.0 1.8 5.60 456 384 A 19 ALA HA A 20 LYS HEy 1.0 1.8 5.60 457 385 A 19 ALA HA A 20 LYS HBx 1.0 1.8 5.48 458 385 A 19 ALA HA A 20 LYS HBy 1.0 1.8 5.48 459 386 A 53 ARG HA A 53 ARG HGx 1.0 1.8 3.39 460 386 A 53 ARG HA A 53 ARG HGy 1.0 1.8 3.39 461 387 A 53 ARG HA A 53 ARG HDx 1.0 1.8 4.15 462 387 A 53 ARG HA A 53 ARG HDy 1.0 1.8 4.15 463 388 A 14 ASP H A 18 GLY HAy 1.0 1.8 3.76 464 389 A 35 CYS HBy A 36 GLY HAy 1.0 1.8 5.17 465 390 A 14 ASP HBy A 18 GLY HAy 1.0 1.8 3.86 466 391 A 28 SER HA A 31 LYS HEx 1.0 1.8 4.16 467 391 A 31 LYS HEy A 28 SER HA 1.0 1.8 4.16 468 392 A 14 ASP HBx A 18 GLY HAy 1.0 1.8 3.60 469 393 A 18 GLY HAy A 17 LEU HBx 1.0 1.8 4.34 470 393 A 17 LEU HBy A 18 GLY HAy 1.0 1.8 4.34 471 394 A 21 VAL HGx% A 18 GLY HAy 1.0 1.8 5.41 472 395 A 15 GLY H A 15 GLY HAx 1.0 1.8 2.85 473 396 A 16 ALA HB% A 15 GLY HAx 1.0 1.8 4.39 474 397 A 15 GLY HAx A 16 ALA H 1.0 1.8 3.42 475 398 A 48 THR HB A 40 CYS HA 1.0 1.8 6.00 476 399 A 48 THR H A 48 THR HB 1.0 1.8 3.21 477 400 A 10 ALA HA A 12 MET HGy 1.0 1.8 4.61 478 401 A 10 ALA HA A 47 PRO HBx 1.0 1.8 3.58 479 401 A 10 ALA HA A 47 PRO HBy 1.0 1.8 3.58 480 402 A 10 ALA HA A 47 PRO HGx 1.0 1.8 3.79 481 402 A 10 ALA HA A 47 PRO HGy 1.0 1.8 3.79 482 403 A 48 THR HB A 50 VAL HGx% 1.0 1.8 3.86 483 404 A 3 ALA H A 2 SER HBx 1.0 1.8 4.18 484 404 A 2 SER HBy A 3 ALA H 1.0 1.8 4.18 485 405 A 3 ALA HB% A 2 SER HBx 1.0 1.8 4.72 486 405 A 3 ALA HB% A 2 SER HBy 1.0 1.8 4.72 487 406 A 12 MET HA A 14 ASP H 1.0 1.8 4.27 488 407 A 48 THR H A 47 PRO HDx 1.0 1.8 5.14 489 407 A 48 THR H A 47 PRO HDy 1.0 1.8 5.14 490 408 A 51 CYS HA A 52 SER HBx 1.0 1.8 5.34 491 408 A 52 SER HBy A 51 CYS HA 1.0 1.8 5.34 492 409 A 12 MET HA A 22 ALA HB% 1.0 1.8 2.93 493 410 A 24 ALA HB% A 21 VAL HA 1.0 1.8 3.10 494 411 A 52 SER H A 52 SER HBx 1.0 1.8 3.85 495 411 A 52 SER H A 52 SER HBy 1.0 1.8 3.85 496 412 A 12 MET HA A 20 LYS H 1.0 1.8 5.90 497 413 A 20 LYS H A 21 VAL HA 1.0 1.8 6.00 498 414 A 6 PHE HZ A 47 PRO HDx 1.0 1.8 5.01 499 414 A 6 PHE HZ A 47 PRO HDy 1.0 1.8 5.01 500 415 A 46 ARG HDx A 47 PRO HDx 1.0 1.8 5.08 501 415 A 46 ARG HDy A 47 PRO HDx 1.0 1.8 5.08 502 415 A 47 PRO HDy A 46 ARG HDx 1.0 1.8 5.08 503 415 A 46 ARG HDy A 47 PRO HDy 1.0 1.8 5.08 504 416 A 21 VAL HA A 23 GLN HGx 1.0 1.8 5.24 505 416 A 23 GLN HGy A 21 VAL HA 1.0 1.8 5.24 506 417 A 52 SER HBy A 53 ARG HGx 1.0 1.8 3.16 507 417 A 52 SER HBx A 53 ARG HGx 1.0 1.8 3.16 508 417 A 53 ARG HGy A 52 SER HBx 1.0 1.8 3.16 509 417 A 52 SER HBy A 53 ARG HGy 1.0 1.8 3.16 510 418 A 46 ARG HBy A 47 PRO HDx 1.0 1.8 3.72 511 418 A 46 ARG HBx A 47 PRO HDx 1.0 1.8 3.72 512 418 A 47 PRO HDy A 46 ARG HBx 1.0 1.8 3.72 513 418 A 47 PRO HDy A 46 ARG HBy 1.0 1.8 3.72 514 419 A 21 VAL HGy% A 21 VAL HA 1.0 1.8 2.80 515 420 A 37 THR HG2% A 52 SER HBx 1.0 1.8 3.37 516 420 A 37 THR HG2% A 52 SER HBy 1.0 1.8 3.37 517 421 A 37 THR H A 36 GLY HAx 1.0 1.8 3.37 518 422 A 42 ARG HDx A 47 PRO HDx 1.0 1.8 4.08 519 422 A 42 ARG HDy A 47 PRO HDx 1.0 1.8 4.08 520 422 A 47 PRO HDy A 42 ARG HDx 1.0 1.8 4.08 521 422 A 42 ARG HDy A 47 PRO HDy 1.0 1.8 4.08 522 423 A 42 ARG HE A 47 PRO HDx 1.0 1.8 5.24 523 423 A 42 ARG HE A 47 PRO HDy 1.0 1.8 5.24 524 424 A 35 CYS HBy A 36 GLY HAx 1.0 1.8 4.93 525 425 A 36 GLY HAx A 53 ARG HBx 1.0 1.8 3.53 526 425 A 36 GLY HAx A 53 ARG HBy 1.0 1.8 3.53 527 426 A 36 GLY HAx A 54 CYS HA 1.0 1.8 5.41 528 427 A 64 LEU H A 62 PRO HDx 1.0 1.8 5.30 529 427 A 64 LEU H A 62 PRO HDy 1.0 1.8 5.30 530 428 A 49 CYS HBy A 8 SER HBx 1.0 1.8 3.85 531 428 A 8 SER HBy A 49 CYS HBy 1.0 1.8 3.85 532 429 A 8 SER HBx A 49 CYS HBx 1.0 1.8 3.85 533 429 A 8 SER HBy A 49 CYS HBx 1.0 1.8 3.85 534 430 A 9 CYS H A 8 SER HBx 1.0 1.8 3.63 535 430 A 9 CYS H A 8 SER HBy 1.0 1.8 3.63 536 431 A 10 ALA H A 8 SER HBx 1.0 1.8 5.06 537 431 A 10 ALA H A 8 SER HBy 1.0 1.8 5.06 538 432 A 45 GLY HAx A 42 ARG HDx 1.0 1.8 4.03 539 432 A 42 ARG HDy A 45 GLY HAx 1.0 1.8 4.03 540 433 A 45 GLY HAx A 46 ARG HGx 1.0 1.8 4.76 541 433 A 45 GLY HAx A 46 ARG HGy 1.0 1.8 4.76 542 434 A 18 GLY HAx A 22 ALA H 1.0 1.8 4.25 543 435 A 18 GLY HAx A 21 VAL H 1.0 1.8 3.95 544 436 A 18 GLY HAx A 14 ASP H 1.0 1.8 4.68 545 437 A 18 GLY HAx A 14 ASP HBx 1.0 1.8 3.88 546 438 A 18 GLY HAx A 11 ARG HBx 1.0 1.8 3.81 547 438 A 18 GLY HAx A 11 ARG HBy 1.0 1.8 3.81 548 439 A 18 GLY HAx A 21 VAL HB 1.0 1.8 3.64 549 440 A 18 GLY HAx A 21 VAL HGy% 1.0 1.8 3.52 550 441 A 18 GLY HAx A 21 VAL HGx% 1.0 1.8 4.18 551 442 A 61 TRP H A 65 PRO HDx 1.0 1.8 5.72 552 442 A 61 TRP H A 65 PRO HDy 1.0 1.8 5.72 553 443 A 18 GLY HAx A 17 LEU HDx% 1.0 1.8 4.43 554 444 A 6 PHE H A 6 PHE HBy 1.0 1.8 3.84 555 445 A 40 CYS HBy A 41 GLU HBx 1.0 1.8 6.00 556 446 A 40 CYS HBy A 49 CYS H 1.0 1.8 5.84 557 447 A 41 GLU H A 40 CYS HBy 1.0 1.8 3.66 558 448 A 39 HIS HD2 A 40 CYS HBy 1.0 1.8 5.74 559 449 A 40 CYS HBy A 12 MET HE% 1.0 1.8 3.26 560 450 A 40 CYS HBy A 50 VAL HGy% 1.0 1.8 5.82 561 451 A 40 CYS HBy A 50 VAL HGx% 1.0 1.8 6.00 562 452 A 9 CYS H A 9 CYS HBy 1.0 1.8 3.65 563 453 A 9 CYS HBy A 12 MET H 1.0 1.8 4.45 564 454 A 9 CYS HBy A 10 ALA H 1.0 1.8 4.73 565 455 A 12 MET HA A 9 CYS HBy 1.0 1.8 5.88 566 456 A 9 CYS HBy A 11 ARG HDx 1.0 1.8 6.00 567 456 A 9 CYS HBy A 11 ARG HDy 1.0 1.8 6.00 568 457 A 9 CYS HBy A 12 MET HBx 1.0 1.8 3.99 569 458 A 29 SER H A 32 PHE HBy 1.0 1.8 5.27 570 459 A 31 LYS H A 32 PHE HBy 1.0 1.8 4.87 571 460 A 32 PHE H A 32 PHE HBy 1.0 1.8 3.23 572 461 A 33 GLN H A 32 PHE HBy 1.0 1.8 3.83 573 462 A 48 THR HG2% A 9 CYS HBy 1.0 1.8 6.00 574 463 A 35 CYS HBy A 51 CYS H 1.0 1.8 5.90 575 464 A 35 CYS HBy A 52 SER H 1.0 1.8 3.93 576 465 A 64 LEU H A 61 TRP HBy 1.0 1.8 4.81 577 466 A 35 CYS HBy A 37 THR H 1.0 1.8 3.98 578 467 A 35 CYS HBy A 30 CYS HBx 1.0 1.8 3.36 579 467 A 35 CYS HBy A 30 CYS HBy 1.0 1.8 3.36 580 468 A 35 CYS HBy A 36 GLY H 1.0 1.8 3.74 581 469 A 33 GLN H A 32 PHE HBx 1.0 1.8 3.91 582 470 A 32 PHE HBx A 33 GLN HGx 1.0 1.8 5.03 583 471 A 32 PHE HBx A 33 GLN HA 1.0 1.8 4.94 584 472 A 30 CYS H A 27 ILE HA 1.0 1.8 3.86 585 473 A 29 SER H A 27 ILE HA 1.0 1.8 4.83 586 474 A 38 GLY H A 27 ILE HA 1.0 1.8 3.86 587 475 A 27 ILE HA A 28 SER HBx 1.0 1.8 6.00 588 475 A 28 SER HBy A 27 ILE HA 1.0 1.8 6.00 589 476 A 27 ILE HA A 29 SER HBx 1.0 1.8 6.00 590 476 A 29 SER HBy A 27 ILE HA 1.0 1.8 6.00 591 477 A 32 PHE HBx A 29 SER HBx 1.0 1.8 6.00 592 477 A 32 PHE HBx A 29 SER HBy 1.0 1.8 6.00 593 478 A 27 ILE HA A 30 CYS HBx 1.0 1.8 3.29 594 478 A 30 CYS HBy A 27 ILE HA 1.0 1.8 3.29 595 479 A 26 CYS H A 27 ILE HA 1.0 1.8 5.46 596 480 A 38 GLY HAx A 27 ILE HA 1.0 1.8 4.71 597 481 A 50 VAL HGy% A 43 ARG HDx 1.0 1.8 5.02 598 481 A 50 VAL HGy% A 43 ARG HDy 1.0 1.8 5.02 599 482 A 41 GLU H A 39 HIS HBx 1.0 1.8 6.00 600 482 A 41 GLU H A 39 HIS HBy 1.0 1.8 6.00 601 483 A 41 GLU H A 43 ARG HDx 1.0 1.8 6.00 602 483 A 41 GLU H A 43 ARG HDy 1.0 1.8 6.00 603 484 A 48 THR H A 43 ARG HDx 1.0 1.8 6.00 604 484 A 48 THR H A 43 ARG HDy 1.0 1.8 6.00 605 485 A 48 THR HB A 43 ARG HDx 1.0 1.8 5.13 606 485 A 48 THR HB A 43 ARG HDy 1.0 1.8 5.13 607 486 A 41 GLU HGy A 43 ARG HDx 1.0 1.8 5.22 608 486 A 41 GLU HGx A 43 ARG HDx 1.0 1.8 5.22 609 486 A 43 ARG HDy A 41 GLU HGx 1.0 1.8 5.22 610 486 A 43 ARG HDy A 41 GLU HGy 1.0 1.8 5.22 611 487 A 43 ARG HBx A 43 ARG HDx 1.0 1.8 3.75 612 487 A 43 ARG HBy A 43 ARG HDx 1.0 1.8 3.75 613 487 A 43 ARG HDy A 43 ARG HBx 1.0 1.8 3.75 614 487 A 43 ARG HDy A 43 ARG HBy 1.0 1.8 3.75 615 488 A 39 HIS H A 39 HIS HBx 1.0 1.8 3.73 616 488 A 39 HIS H A 39 HIS HBy 1.0 1.8 3.73 617 489 A 35 CYS HA A 34 ASN HBy 1.0 1.8 5.86 618 490 A 40 CYS H A 39 HIS HBx 1.0 1.8 3.21 619 490 A 40 CYS H A 39 HIS HBy 1.0 1.8 3.21 620 491 A 54 CYS H A 54 CYS HBy 1.0 1.8 4.07 621 492 A 34 ASN H A 34 ASN HBy 1.0 1.8 4.13 622 493 A 33 GLN H A 34 ASN HBy 1.0 1.8 6.00 623 494 A 39 HIS HD2 A 39 HIS HBx 1.0 1.8 3.39 624 494 A 39 HIS HD2 A 39 HIS HBy 1.0 1.8 3.39 625 495 A 34 ASN HBy A 34 ASN HD2x 1.0 1.8 4.02 626 496 A 39 HIS HE1 A 39 HIS HBx 1.0 1.8 4.73 627 496 A 39 HIS HE1 A 39 HIS HBy 1.0 1.8 4.73 628 497 A 34 ASN HBy A 34 ASN HD2y 1.0 1.8 4.02 629 498 A 64 LEU H A 61 TRP HBx 1.0 1.8 4.81 630 499 A 61 TRP H A 61 TRP HBx 1.0 1.8 3.96 631 500 A 45 GLY HAy A 42 ARG HDx 1.0 1.8 5.92 632 500 A 42 ARG HDy A 45 GLY HAy 1.0 1.8 5.92 633 501 A 42 ARG HBy A 42 ARG HDx 1.0 1.8 3.09 634 501 A 42 ARG HDy A 42 ARG HBy 1.0 1.8 3.09 635 502 A 11 ARG H A 11 ARG HDx 1.0 1.8 4.36 636 502 A 11 ARG H A 11 ARG HDy 1.0 1.8 4.36 637 503 A 21 VAL HB A 11 ARG HDx 1.0 1.8 4.37 638 503 A 21 VAL HB A 11 ARG HDy 1.0 1.8 4.37 639 504 A 53 ARG HBy A 53 ARG HDx 1.0 1.8 3.42 640 504 A 53 ARG HDy A 53 ARG HBx 1.0 1.8 3.42 641 504 A 53 ARG HBy A 53 ARG HDy 1.0 1.8 3.42 642 504 A 53 ARG HBx A 53 ARG HDx 1.0 1.8 3.42 643 505 A 42 ARG HBx A 42 ARG HDx 1.0 1.8 2.88 644 505 A 42 ARG HDy A 42 ARG HBx 1.0 1.8 2.88 645 506 A 21 VAL HGy% A 11 ARG HDx 1.0 1.8 5.09 646 506 A 21 VAL HGy% A 11 ARG HDy 1.0 1.8 5.09 647 507 A 53 ARG H A 53 ARG HDx 1.0 1.8 5.20 648 507 A 53 ARG H A 53 ARG HDy 1.0 1.8 5.20 649 508 A 10 ALA HA A 11 ARG HDx 1.0 1.8 5.17 650 508 A 10 ALA HA A 11 ARG HDy 1.0 1.8 5.17 651 509 A 8 SER H A 49 CYS HBy 1.0 1.8 5.30 652 510 A 35 CYS HBx A 31 LYS H 1.0 1.8 4.20 653 511 A 35 CYS HBx A 35 CYS H 1.0 1.8 3.66 654 512 A 35 CYS HBx A 51 CYS HA 1.0 1.8 5.86 655 513 A 35 CYS HBx A 30 CYS HBx 1.0 1.8 3.25 656 513 A 35 CYS HBx A 30 CYS HBy 1.0 1.8 3.25 657 514 A 20 LYS HEy A 23 GLN HGx 1.0 1.8 5.50 658 514 A 20 LYS HEx A 23 GLN HGx 1.0 1.8 5.50 659 514 A 23 GLN HGy A 20 LYS HEx 1.0 1.8 5.50 660 514 A 23 GLN HGy A 20 LYS HEy 1.0 1.8 5.50 661 515 A 20 LYS HBy A 20 LYS HEx 1.0 1.8 4.26 662 515 A 20 LYS HBx A 20 LYS HEx 1.0 1.8 4.26 663 515 A 20 LYS HEy A 20 LYS HBx 1.0 1.8 4.26 664 515 A 20 LYS HBy A 20 LYS HEy 1.0 1.8 4.26 665 516 A 20 LYS HGy A 20 LYS HEx 1.0 1.8 3.80 666 516 A 20 LYS HEy A 20 LYS HGy 1.0 1.8 3.80 667 517 A 17 LEU HDx% A 20 LYS HEx 1.0 1.8 4.55 668 517 A 20 LYS HEy A 17 LEU HDx% 1.0 1.8 4.55 669 518 A 17 LEU HDy% A 20 LYS HEx 1.0 1.8 4.48 670 518 A 20 LYS HEy A 17 LEU HDy% 1.0 1.8 4.48 671 519 A 21 VAL H A 20 LYS HEx 1.0 1.8 5.24 672 519 A 21 VAL H A 20 LYS HEy 1.0 1.8 5.24 673 520 A 35 CYS HBx A 33 GLN H 1.0 1.8 5.32 674 521 A 14 ASP H A 14 ASP HBy 1.0 1.8 3.27 675 522 A 15 GLY H A 14 ASP HBy 1.0 1.8 4.65 676 523 A 18 GLY HAx A 14 ASP HBy 1.0 1.8 4.32 677 524 A 14 ASP HBy A 11 ARG HBx 1.0 1.8 4.06 678 524 A 11 ARG HBy A 14 ASP HBy 1.0 1.8 4.06 679 525 A 13 ASN H A 14 ASP HBy 1.0 1.8 4.42 680 526 A 12 MET H A 14 ASP HBy 1.0 1.8 5.59 681 527 A 28 SER H A 31 LYS HEx 1.0 1.8 5.89 682 527 A 28 SER H A 31 LYS HEy 1.0 1.8 5.89 683 528 A 31 LYS HGy A 31 LYS HEx 1.0 1.8 3.50 684 528 A 31 LYS HGy A 31 LYS HEy 1.0 1.8 3.50 685 529 A 31 LYS HGx A 31 LYS HEx 1.0 1.8 3.79 686 529 A 31 LYS HGx A 31 LYS HEy 1.0 1.8 3.79 687 530 A 27 ILE HG2% A 31 LYS HEx 1.0 1.8 3.17 688 530 A 27 ILE HG2% A 31 LYS HEy 1.0 1.8 3.17 689 531 A 40 CYS HBx A 12 MET HBx 1.0 1.8 4.58 690 532 A 31 LYS HBx A 31 LYS HEx 1.0 1.8 4.77 691 532 A 31 LYS HBy A 31 LYS HEx 1.0 1.8 4.77 692 532 A 31 LYS HEy A 31 LYS HBx 1.0 1.8 4.77 693 532 A 31 LYS HEy A 31 LYS HBy 1.0 1.8 4.77 694 533 A 40 CYS HBx A 40 CYS H 1.0 1.8 3.27 695 534 A 39 HIS HD2 A 40 CYS HBx 1.0 1.8 5.26 696 535 A 40 CYS HBx A 9 CYS HBx 1.0 1.8 5.43 697 536 A 30 CYS HBx A 31 LYS HEx 1.0 1.8 5.96 698 536 A 30 CYS HBy A 31 LYS HEx 1.0 1.8 5.96 699 536 A 31 LYS HEy A 30 CYS HBx 1.0 1.8 5.96 700 536 A 30 CYS HBy A 31 LYS HEy 1.0 1.8 5.96 701 537 A 40 CYS HBx A 12 MET HE% 1.0 1.8 3.31 702 538 A 40 CYS HBx A 12 MET HA 1.0 1.8 5.49 703 539 A 34 ASN HBx A 33 GLN HBx 1.0 1.8 5.36 704 539 A 34 ASN HBx A 33 GLN HBy 1.0 1.8 5.36 705 540 A 34 ASN HBx A 34 ASN H 1.0 1.8 3.58 706 541 A 34 ASN HBx A 55 GLY HAx 1.0 1.8 5.79 707 541 A 34 ASN HBx A 55 GLY HAy 1.0 1.8 5.79 708 542 A 6 PHE H A 6 PHE HBx 1.0 1.8 3.70 709 543 A 7 THR HA A 6 PHE HBx 1.0 1.8 4.90 710 544 A 46 ARG H A 46 ARG HDx 1.0 1.8 4.78 711 544 A 46 ARG HDy A 46 ARG H 1.0 1.8 4.78 712 545 A 46 ARG HBx A 46 ARG HDx 1.0 1.8 3.61 713 545 A 46 ARG HBy A 46 ARG HDx 1.0 1.8 3.61 714 545 A 46 ARG HDy A 46 ARG HBx 1.0 1.8 3.61 715 545 A 46 ARG HDy A 46 ARG HBy 1.0 1.8 3.61 716 546 A 6 PHE H A 5 ASP HBy 1.0 1.8 4.49 717 547 A 14 ASP HBx A 21 VAL HB 1.0 1.8 5.43 718 548 A 14 ASP HBx A 17 LEU HBx 1.0 1.8 4.90 719 548 A 17 LEU HBy A 14 ASP HBx 1.0 1.8 4.90 720 549 A 11 ARG H A 14 ASP HBx 1.0 1.8 6.00 721 550 A 63 ASN H A 63 ASN HBx 1.0 1.8 4.12 722 551 A 14 ASP H A 14 ASP HBx 1.0 1.8 3.12 723 552 A 14 ASP HBx A 15 GLY H 1.0 1.8 4.13 724 553 A 14 ASP HBx A 18 GLY H 1.0 1.8 3.73 725 554 A 14 ASP HBx A 11 ARG HBx 1.0 1.8 4.04 726 554 A 11 ARG HBy A 14 ASP HBx 1.0 1.8 4.04 727 555 A 51 CYS HBx A 36 GLY H 1.0 1.8 6.00 728 556 A 35 CYS HBy A 51 CYS HBx 1.0 1.8 3.91 729 557 A 49 CYS H A 49 CYS HBx 1.0 1.8 3.68 730 558 A 5 ASP H A 5 ASP HBx 1.0 1.8 3.88 731 559 A 9 CYS H A 9 CYS HBx 1.0 1.8 3.31 732 560 A 27 ILE H A 26 CYS HBx 1.0 1.8 3.67 733 560 A 27 ILE H A 26 CYS HBy 1.0 1.8 3.67 734 561 A 40 CYS H A 26 CYS HBx 1.0 1.8 4.43 735 561 A 40 CYS H A 26 CYS HBy 1.0 1.8 4.43 736 562 A 12 MET HA A 12 MET HGy 1.0 1.8 3.82 737 563 A 41 GLU H A 9 CYS HBx 1.0 1.8 5.11 738 564 A 48 THR H A 9 CYS HBx 1.0 1.8 5.48 739 565 A 30 CYS H A 30 CYS HBx 1.0 1.8 3.03 740 565 A 30 CYS H A 30 CYS HBy 1.0 1.8 3.03 741 566 A 29 SER H A 30 CYS HBx 1.0 1.8 4.53 742 566 A 29 SER H A 30 CYS HBy 1.0 1.8 4.53 743 567 A 38 GLY H A 30 CYS HBx 1.0 1.8 4.87 744 567 A 38 GLY H A 30 CYS HBy 1.0 1.8 4.87 745 568 A 26 CYS HBy A 29 SER HBx 1.0 1.8 5.73 746 568 A 26 CYS HBx A 29 SER HBx 1.0 1.8 5.73 747 568 A 29 SER HBy A 26 CYS HBx 1.0 1.8 5.73 748 568 A 26 CYS HBy A 29 SER HBy 1.0 1.8 5.73 749 569 A 29 SER HBx A 30 CYS HBx 1.0 1.8 5.60 750 569 A 29 SER HBy A 30 CYS HBx 1.0 1.8 5.60 751 569 A 30 CYS HBy A 29 SER HBx 1.0 1.8 5.60 752 569 A 30 CYS HBy A 29 SER HBy 1.0 1.8 5.60 753 570 A 31 LYS HGy A 30 CYS HBx 1.0 1.8 3.50 754 570 A 30 CYS HBy A 31 LYS HGy 1.0 1.8 3.50 755 571 A 35 CYS H A 30 CYS HBx 1.0 1.8 4.20 756 571 A 30 CYS HBy A 35 CYS H 1.0 1.8 4.20 757 572 A 35 CYS H A 33 GLN HGy 1.0 1.8 4.64 758 573 A 33 GLN H A 33 GLN HGy 1.0 1.8 3.88 759 574 A 33 GLN HE2x A 33 GLN HGy 1.0 1.8 3.43 760 575 A 31 LYS HA A 30 CYS HBx 1.0 1.8 5.94 761 575 A 30 CYS HBy A 31 LYS HA 1.0 1.8 5.94 762 576 A 9 CYS HBx A 48 THR HA 1.0 1.8 6.00 763 577 A 14 ASP H A 13 ASN HBx 1.0 1.8 5.09 764 578 A 34 ASN H A 33 GLN HGy 1.0 1.8 5.51 765 579 A 27 ILE H A 23 GLN HGx 1.0 1.8 4.74 766 579 A 23 GLN HGy A 27 ILE H 1.0 1.8 4.74 767 580 A 22 ALA H A 23 GLN HGx 1.0 1.8 5.11 768 580 A 22 ALA H A 23 GLN HGy 1.0 1.8 5.11 769 581 A 21 VAL H A 23 GLN HGx 1.0 1.8 5.40 770 581 A 23 GLN HGy A 21 VAL H 1.0 1.8 5.40 771 582 A 25 ALA H A 23 GLN HGx 1.0 1.8 5.74 772 582 A 23 GLN HGy A 25 ALA H 1.0 1.8 5.74 773 583 A 23 GLN H A 23 GLN HGx 1.0 1.8 3.45 774 583 A 23 GLN HGy A 23 GLN H 1.0 1.8 3.45 775 584 A 24 ALA H A 23 GLN HGx 1.0 1.8 3.71 776 584 A 23 GLN HGy A 24 ALA H 1.0 1.8 3.71 777 585 A 24 ALA HA A 23 GLN HGx 1.0 1.8 4.53 778 585 A 23 GLN HGy A 24 ALA HA 1.0 1.8 4.53 779 586 A 23 GLN HA A 23 GLN HGx 1.0 1.8 3.30 780 586 A 23 GLN HGy A 23 GLN HA 1.0 1.8 3.30 781 587 A 23 GLN HBx A 23 GLN HGx 1.0 1.8 3.01 782 587 A 23 GLN HGy A 23 GLN HBx 1.0 1.8 3.01 783 588 A 20 LYS HDy A 23 GLN HGx 1.0 1.8 5.51 784 588 A 20 LYS HDx A 23 GLN HGx 1.0 1.8 5.51 785 588 A 23 GLN HGy A 20 LYS HDx 1.0 1.8 5.51 786 588 A 23 GLN HGy A 20 LYS HDy 1.0 1.8 5.51 787 589 A 24 ALA HB% A 23 GLN HGx 1.0 1.8 3.71 788 589 A 23 GLN HGy A 24 ALA HB% 1.0 1.8 3.71 789 590 A 27 ILE HD1% A 23 GLN HGx 1.0 1.8 2.93 790 590 A 23 GLN HGy A 27 ILE HD1% 1.0 1.8 2.93 791 591 A 20 LYS HBy A 23 GLN HGx 1.0 1.8 4.69 792 591 A 20 LYS HBx A 23 GLN HGx 1.0 1.8 4.69 793 591 A 23 GLN HGy A 20 LYS HBx 1.0 1.8 4.69 794 591 A 23 GLN HGy A 20 LYS HBy 1.0 1.8 4.69 795 592 A 30 CYS H A 33 GLN HGx 1.0 1.8 5.51 796 593 A 35 CYS H A 33 GLN HGx 1.0 1.8 6.00 797 594 A 32 PHE H A 33 GLN HGx 1.0 1.8 4.79 798 595 A 33 GLN H A 33 GLN HGx 1.0 1.8 3.57 799 596 A 32 PHE HBy A 33 GLN HGx 1.0 1.8 4.88 800 597 A 50 VAL HGy% A 41 GLU HGx 1.0 1.8 4.48 801 597 A 50 VAL HGy% A 41 GLU HGy 1.0 1.8 4.48 802 598 A 41 GLU H A 41 GLU HGx 1.0 1.8 4.27 803 598 A 41 GLU H A 41 GLU HGy 1.0 1.8 4.27 804 599 A 42 ARG H A 41 GLU HGx 1.0 1.8 4.22 805 599 A 42 ARG H A 41 GLU HGy 1.0 1.8 4.22 806 600 A 50 VAL H A 41 GLU HGx 1.0 1.8 6.00 807 600 A 50 VAL H A 41 GLU HGy 1.0 1.8 6.00 808 601 A 39 HIS HE1 A 41 GLU HGx 1.0 1.8 5.37 809 601 A 39 HIS HE1 A 41 GLU HGy 1.0 1.8 5.37 810 602 A 39 HIS HD2 A 41 GLU HGx 1.0 1.8 4.11 811 602 A 39 HIS HD2 A 41 GLU HGy 1.0 1.8 4.11 812 603 A 41 GLU HBy A 41 GLU HGx 1.0 1.8 2.78 813 603 A 41 GLU HBy A 41 GLU HGy 1.0 1.8 2.78 814 604 A 40 CYS HA A 41 GLU HGx 1.0 1.8 5.94 815 604 A 40 CYS HA A 41 GLU HGy 1.0 1.8 5.94 816 605 A 40 CYS HBy A 12 MET HBy 1.0 1.8 4.33 817 606 A 40 CYS HBy A 12 MET HGx 1.0 1.8 4.69 818 607 A 40 CYS HBx A 12 MET HBy 1.0 1.8 4.14 819 608 A 13 ASN H A 12 MET HGx 1.0 1.8 3.51 820 609 A 12 MET H A 12 MET HGx 1.0 1.8 3.09 821 610 A 9 CYS HBy A 12 MET HGx 1.0 1.8 4.05 822 611 A 12 MET HGx A 47 PRO HA 1.0 1.8 5.11 823 612 A 14 ASP H A 11 ARG HBx 1.0 1.8 4.31 824 612 A 11 ARG HBy A 14 ASP H 1.0 1.8 4.31 825 613 A 10 ALA H A 47 PRO HBx 1.0 1.8 4.70 826 613 A 10 ALA H A 47 PRO HBy 1.0 1.8 4.70 827 614 A 11 ARG HBy A 11 ARG HDx 1.0 1.8 3.85 828 614 A 11 ARG HBx A 11 ARG HDx 1.0 1.8 3.85 829 614 A 11 ARG HDy A 11 ARG HBx 1.0 1.8 3.85 830 614 A 11 ARG HBy A 11 ARG HDy 1.0 1.8 3.85 831 615 A 11 ARG H A 11 ARG HBx 1.0 1.8 3.50 832 615 A 11 ARG H A 11 ARG HBy 1.0 1.8 3.50 833 616 A 43 ARG H A 47 PRO HBx 1.0 1.8 5.17 834 616 A 43 ARG H A 47 PRO HBy 1.0 1.8 5.17 835 617 A 18 GLY H A 11 ARG HBx 1.0 1.8 5.08 836 617 A 11 ARG HBy A 18 GLY H 1.0 1.8 5.08 837 618 A 21 VAL HGy% A 11 ARG HBx 1.0 1.8 4.21 838 618 A 21 VAL HGy% A 11 ARG HBy 1.0 1.8 4.21 839 619 A 21 VAL HGx% A 11 ARG HBx 1.0 1.8 4.16 840 619 A 11 ARG HBy A 21 VAL HGx% 1.0 1.8 4.16 841 620 A 22 ALA H A 11 ARG HBx 1.0 1.8 4.15 842 620 A 22 ALA H A 11 ARG HBy 1.0 1.8 4.15 843 621 A 23 GLN HE2y A 23 GLN HBy 1.0 1.8 5.22 844 622 A 42 ARG HGy A 47 PRO HBx 1.0 1.8 4.86 845 622 A 42 ARG HGy A 47 PRO HBy 1.0 1.8 4.86 846 623 A 27 ILE HD1% A 23 GLN HBy 1.0 1.8 3.96 847 624 A 26 CYS H A 23 GLN HBx 1.0 1.8 5.81 848 625 A 24 ALA H A 23 GLN HBx 1.0 1.8 3.72 849 626 A 23 GLN HBx A 20 LYS HA 1.0 1.8 3.87 850 627 A 22 ALA HB% A 21 VAL HB 1.0 1.8 4.24 851 628 A 22 ALA HB% A 23 GLN HBx 1.0 1.8 4.53 852 629 A 40 CYS H A 23 GLN HBx 1.0 1.8 4.84 853 630 A 22 ALA H A 21 VAL HB 1.0 1.8 3.16 854 631 A 21 VAL H A 21 VAL HB 1.0 1.8 2.97 855 632 A 14 ASP HBy A 21 VAL HB 1.0 1.8 6.00 856 633 A 40 CYS HBx A 23 GLN HBx 1.0 1.8 5.35 857 634 A 21 VAL HB A 11 ARG HGx 1.0 1.8 3.93 858 634 A 21 VAL HB A 11 ARG HGy 1.0 1.8 3.93 859 635 A 41 GLU H A 41 GLU HBy 1.0 1.8 3.60 860 636 A 41 GLU HBy A 43 ARG HGx 1.0 1.8 3.69 861 636 A 43 ARG HGy A 41 GLU HBy 1.0 1.8 3.69 862 637 A 41 GLU HBy A 43 ARG H 1.0 1.8 6.00 863 638 A 33 GLN HE2x A 33 GLN HBx 1.0 1.8 3.26 864 638 A 33 GLN HE2x A 33 GLN HBy 1.0 1.8 3.26 865 639 A 41 GLU HBy A 43 ARG HDx 1.0 1.8 4.76 866 639 A 41 GLU HBy A 43 ARG HDy 1.0 1.8 4.76 867 640 A 50 VAL HGy% A 41 GLU HBy 1.0 1.8 4.16 868 641 A 41 GLU HBy A 50 VAL HGx% 1.0 1.8 3.43 869 642 A 41 GLU HBy A 50 VAL H 1.0 1.8 4.72 870 643 A 35 CYS HBx A 33 GLN HBx 1.0 1.8 5.06 871 643 A 35 CYS HBx A 33 GLN HBy 1.0 1.8 5.06 872 644 A 35 CYS H A 33 GLN HBx 1.0 1.8 4.80 873 644 A 35 CYS H A 33 GLN HBy 1.0 1.8 4.80 874 645 A 34 ASN H A 33 GLN HBx 1.0 1.8 4.19 875 645 A 34 ASN H A 33 GLN HBy 1.0 1.8 4.19 876 646 A 33 GLN H A 33 GLN HBx 1.0 1.8 3.38 877 646 A 33 GLN H A 33 GLN HBy 1.0 1.8 3.38 878 647 A 22 ALA H A 20 LYS HBx 1.0 1.8 5.00 879 647 A 22 ALA H A 20 LYS HBy 1.0 1.8 5.00 880 648 A 21 VAL H A 20 LYS HBx 1.0 1.8 3.04 881 648 A 21 VAL H A 20 LYS HBy 1.0 1.8 3.04 882 649 A 20 LYS H A 20 LYS HBx 1.0 1.8 2.70 883 649 A 20 LYS HBy A 20 LYS H 1.0 1.8 2.70 884 650 A 18 GLY HAx A 20 LYS HBx 1.0 1.8 5.24 885 650 A 18 GLY HAx A 20 LYS HBy 1.0 1.8 5.24 886 651 A 21 VAL HGy% A 20 LYS HBx 1.0 1.8 3.63 887 651 A 21 VAL HGy% A 20 LYS HBy 1.0 1.8 3.63 888 652 A 21 VAL HGx% A 20 LYS HBx 1.0 1.8 5.07 889 652 A 21 VAL HGx% A 20 LYS HBy 1.0 1.8 5.07 890 653 A 17 LEU HDx% A 20 LYS HBx 1.0 1.8 3.64 891 653 A 20 LYS HBy A 17 LEU HDx% 1.0 1.8 3.64 892 654 A 6 PHE HE% A 47 PRO HGx 1.0 1.8 5.16 893 654 A 6 PHE HE% A 47 PRO HGy 1.0 1.8 5.16 894 655 A 42 ARG HGx A 47 PRO HGx 1.0 1.8 4.83 895 655 A 42 ARG HGx A 47 PRO HGy 1.0 1.8 4.83 896 656 A 36 GLY H A 53 ARG HBx 1.0 1.8 3.49 897 656 A 36 GLY H A 53 ARG HBy 1.0 1.8 3.49 898 657 A 37 THR H A 53 ARG HBx 1.0 1.8 4.76 899 657 A 37 THR H A 53 ARG HBy 1.0 1.8 4.76 900 658 A 6 PHE HZ A 47 PRO HGx 1.0 1.8 5.63 901 658 A 6 PHE HZ A 47 PRO HGy 1.0 1.8 5.63 902 659 A 61 TRP HD1 A 65 PRO HGx 1.0 1.8 6.00 903 659 A 61 TRP HD1 A 65 PRO HGy 1.0 1.8 6.00 904 660 A 50 VAL HGx% A 43 ARG HBx 1.0 1.8 4.92 905 660 A 50 VAL HGx% A 43 ARG HBy 1.0 1.8 4.92 906 661 A 53 ARG H A 53 ARG HBx 1.0 1.8 3.99 907 661 A 53 ARG H A 53 ARG HBy 1.0 1.8 3.99 908 662 A 43 ARG HE A 43 ARG HBx 1.0 1.8 4.78 909 662 A 43 ARG HE A 43 ARG HBy 1.0 1.8 4.78 910 663 A 22 ALA HB% A 12 MET HBx 1.0 1.8 3.13 911 664 A 31 LYS H A 31 LYS HBx 1.0 1.8 3.08 912 664 A 31 LYS H A 31 LYS HBy 1.0 1.8 3.08 913 665 A 32 PHE H A 31 LYS HBx 1.0 1.8 3.55 914 665 A 32 PHE H A 31 LYS HBy 1.0 1.8 3.55 915 666 A 35 CYS HBx A 31 LYS HBx 1.0 1.8 5.69 916 666 A 35 CYS HBx A 31 LYS HBy 1.0 1.8 5.69 917 667 A 33 GLN H A 31 LYS HBx 1.0 1.8 4.77 918 667 A 33 GLN H A 31 LYS HBy 1.0 1.8 4.77 919 668 A 42 ARG HE A 12 MET HE% 1.0 1.8 6.00 920 669 A 42 ARG H A 12 MET HE% 1.0 1.8 3.84 921 670 A 66 SER H A 65 PRO HBx 1.0 1.8 4.19 922 670 A 66 SER H A 65 PRO HBy 1.0 1.8 4.19 923 671 A 12 MET HE% A 9 CYS HBx 1.0 1.8 3.63 924 672 A 12 MET HGy A 12 MET HE% 1.0 1.8 3.84 925 673 A 48 THR H A 12 MET HE% 1.0 1.8 3.76 926 674 A 29 SER H A 27 ILE HB 1.0 1.8 5.15 927 675 A 28 SER H A 27 ILE HB 1.0 1.8 3.11 928 676 A 10 ALA H A 12 MET HE% 1.0 1.8 5.14 929 677 A 53 ARG H A 53 ARG HGx 1.0 1.8 4.13 930 677 A 53 ARG H A 53 ARG HGy 1.0 1.8 4.13 931 678 A 54 CYS H A 53 ARG HGx 1.0 1.8 5.01 932 678 A 54 CYS H A 53 ARG HGy 1.0 1.8 5.01 933 679 A 27 ILE H A 27 ILE HG1y 1.0 1.8 2.98 934 680 A 37 THR H A 53 ARG HGx 1.0 1.8 4.36 935 680 A 37 THR H A 53 ARG HGy 1.0 1.8 4.36 936 681 A 53 ARG HBy A 53 ARG HGx 1.0 1.8 2.48 937 681 A 53 ARG HBx A 53 ARG HGx 1.0 1.8 2.48 938 681 A 53 ARG HGy A 53 ARG HBx 1.0 1.8 2.48 939 681 A 53 ARG HBy A 53 ARG HGy 1.0 1.8 2.48 940 682 A 27 ILE HD1% A 27 ILE HB 1.0 1.8 3.22 941 683 A 60 GLU H A 60 GLU HBx 1.0 1.8 4.09 942 684 A 37 THR HB A 53 ARG HGx 1.0 1.8 5.30 943 684 A 37 THR HB A 53 ARG HGy 1.0 1.8 5.30 944 685 A 27 ILE HA A 27 ILE HG1y 1.0 1.8 3.67 945 686 A 50 VAL HGy% A 12 MET HE% 1.0 1.8 5.44 946 687 A 23 GLN HE2y A 27 ILE HG1y 1.0 1.8 5.23 947 688 A 27 ILE HG1y A 23 GLN HGx 1.0 1.8 4.13 948 688 A 23 GLN HGy A 27 ILE HG1y 1.0 1.8 4.13 949 689 A 46 ARG H A 46 ARG HBx 1.0 1.8 3.05 950 689 A 46 ARG HBy A 46 ARG H 1.0 1.8 3.05 951 690 A 6 PHE HZ A 46 ARG HBx 1.0 1.8 3.62 952 690 A 6 PHE HZ A 46 ARG HBy 1.0 1.8 3.62 953 691 A 46 ARG HE A 46 ARG HBx 1.0 1.8 5.21 954 691 A 46 ARG HE A 46 ARG HBy 1.0 1.8 5.21 955 692 A 41 GLU H A 41 GLU HBx 1.0 1.8 3.55 956 693 A 39 HIS H A 41 GLU HBx 1.0 1.8 5.73 957 694 A 68 GLY H A 67 ARG HBx 1.0 1.8 5.00 958 695 A 39 HIS HD2 A 41 GLU HBx 1.0 1.8 4.09 959 696 A 40 CYS HA A 41 GLU HBx 1.0 1.8 5.01 960 697 A 50 VAL HGy% A 41 GLU HBx 1.0 1.8 4.38 961 698 A 50 VAL HGx% A 41 GLU HBx 1.0 1.8 3.62 962 699 A 43 ARG HE A 41 GLU HBx 1.0 1.8 4.95 963 700 A 60 GLU H A 60 GLU HBy 1.0 1.8 4.09 964 701 A 17 LEU H A 17 LEU HBx 1.0 1.8 2.80 965 701 A 17 LEU HBy A 17 LEU H 1.0 1.8 2.80 966 702 A 18 GLY H A 17 LEU HBx 1.0 1.8 3.14 967 702 A 17 LEU HBy A 18 GLY H 1.0 1.8 3.14 968 703 A 20 LYS HBy A 20 LYS HDx 1.0 1.8 3.01 969 703 A 20 LYS HBx A 20 LYS HDx 1.0 1.8 3.01 970 703 A 20 LYS HDy A 20 LYS HBx 1.0 1.8 3.01 971 703 A 20 LYS HDy A 20 LYS HBy 1.0 1.8 3.01 972 704 A 17 LEU HDx% A 17 LEU HBx 1.0 1.8 3.05 973 704 A 17 LEU HBy A 17 LEU HDx% 1.0 1.8 3.05 974 705 A 17 LEU HDy% A 17 LEU HBx 1.0 1.8 2.87 975 705 A 17 LEU HBy A 17 LEU HDy% 1.0 1.8 2.87 976 706 A 22 ALA H A 11 ARG HGx 1.0 1.8 4.45 977 706 A 22 ALA H A 11 ARG HGy 1.0 1.8 4.45 978 707 A 14 ASP HBx A 11 ARG HGx 1.0 1.8 5.11 979 707 A 14 ASP HBx A 11 ARG HGy 1.0 1.8 5.11 980 708 A 8 SER H A 25 ALA HB% 1.0 1.8 6.00 981 709 A 30 CYS H A 31 LYS HDx 1.0 1.8 4.61 982 709 A 30 CYS H A 31 LYS HDy 1.0 1.8 4.61 983 710 A 26 CYS H A 25 ALA HB% 1.0 1.8 3.04 984 711 A 25 ALA H A 25 ALA HB% 1.0 1.8 2.74 985 712 A 29 SER H A 25 ALA HB% 1.0 1.8 4.88 986 713 A 29 SER H A 31 LYS HDx 1.0 1.8 5.31 987 713 A 29 SER H A 31 LYS HDy 1.0 1.8 5.31 988 714 A 32 PHE H A 31 LYS HDx 1.0 1.8 4.66 989 714 A 32 PHE H A 31 LYS HDy 1.0 1.8 4.66 990 715 A 12 MET H A 11 ARG HGx 1.0 1.8 3.88 991 715 A 12 MET H A 11 ARG HGy 1.0 1.8 3.88 992 716 A 28 SER H A 31 LYS HDx 1.0 1.8 4.20 993 716 A 28 SER H A 31 LYS HDy 1.0 1.8 4.20 994 717 A 11 ARG HE A 11 ARG HGx 1.0 1.8 3.74 995 717 A 11 ARG HE A 11 ARG HGy 1.0 1.8 3.74 996 718 A 28 SER HBx A 31 LYS HDx 1.0 1.8 3.80 997 718 A 28 SER HBy A 31 LYS HDx 1.0 1.8 3.80 998 718 A 31 LYS HDy A 28 SER HBx 1.0 1.8 3.80 999 718 A 28 SER HBy A 31 LYS HDy 1.0 1.8 3.80 1000 719 A 25 ALA HB% A 8 SER HBx 1.0 1.8 3.36 1001 719 A 8 SER HBy A 25 ALA HB% 1.0 1.8 3.36 1002 720 A 11 ARG HBy A 11 ARG HGx 1.0 1.8 2.88 1003 720 A 11 ARG HBx A 11 ARG HGx 1.0 1.8 2.88 1004 720 A 11 ARG HGy A 11 ARG HBx 1.0 1.8 2.88 1005 720 A 11 ARG HBy A 11 ARG HGy 1.0 1.8 2.88 1006 721 A 31 LYS HBx A 31 LYS HDx 1.0 1.8 3.26 1007 721 A 31 LYS HBy A 31 LYS HDx 1.0 1.8 3.26 1008 721 A 31 LYS HDy A 31 LYS HBx 1.0 1.8 3.26 1009 721 A 31 LYS HBy A 31 LYS HDy 1.0 1.8 3.26 1010 722 A 21 VAL HGy% A 11 ARG HGx 1.0 1.8 4.10 1011 722 A 21 VAL HGy% A 11 ARG HGy 1.0 1.8 4.10 1012 723 A 21 VAL HGx% A 11 ARG HGx 1.0 1.8 3.43 1013 723 A 21 VAL HGx% A 11 ARG HGy 1.0 1.8 3.43 1014 724 A 21 VAL HA A 25 ALA HB% 1.0 1.8 5.32 1015 725 A 67 ARG HGy A 68 GLY HAx 1.0 1.8 5.14 1016 725 A 67 ARG HGx A 68 GLY HAx 1.0 1.8 5.14 1017 725 A 68 GLY HAy A 67 ARG HGx 1.0 1.8 5.14 1018 725 A 67 ARG HGy A 68 GLY HAy 1.0 1.8 5.14 1019 726 A 64 LEU HBx A 65 PRO HDx 1.0 1.8 5.12 1020 726 A 64 LEU HBy A 65 PRO HDx 1.0 1.8 5.12 1021 726 A 65 PRO HDy A 64 LEU HBx 1.0 1.8 5.12 1022 726 A 65 PRO HDy A 64 LEU HBy 1.0 1.8 5.12 1023 727 A 27 ILE HG2% A 31 LYS HDx 1.0 1.8 3.44 1024 727 A 27 ILE HG2% A 31 LYS HDy 1.0 1.8 3.44 1025 728 A 64 LEU HDx% A 64 LEU HBx 1.0 1.8 3.55 1026 728 A 64 LEU HBy A 64 LEU HDx% 1.0 1.8 3.55 1027 729 A 64 LEU H A 64 LEU HBx 1.0 1.8 3.58 1028 729 A 64 LEU H A 64 LEU HBy 1.0 1.8 3.58 1029 730 A 42 ARG H A 42 ARG HBx 1.0 1.8 3.53 1030 731 A 43 ARG H A 43 ARG HGx 1.0 1.8 3.29 1031 731 A 43 ARG HGy A 43 ARG H 1.0 1.8 3.29 1032 732 A 43 ARG HE A 43 ARG HGx 1.0 1.8 3.69 1033 732 A 43 ARG HGy A 43 ARG HE 1.0 1.8 3.69 1034 733 A 10 ALA HB% A 6 PHE H 1.0 1.8 3.66 1035 734 A 10 ALA HB% A 10 ALA H 1.0 1.8 2.65 1036 735 A 10 ALA HB% A 5 ASP HA 1.0 1.8 5.33 1037 736 A 10 ALA HB% A 7 THR HA 1.0 1.8 6.00 1038 737 A 10 ALA HB% A 11 ARG H 1.0 1.8 3.32 1039 738 A 11 ARG H A 22 ALA HB% 1.0 1.8 3.55 1040 739 A 31 LYS H A 31 LYS HGy 1.0 1.8 3.50 1041 740 A 10 ALA HB% A 13 ASN HD2x 1.0 1.8 5.31 1042 741 A 22 ALA H A 22 ALA HB% 1.0 1.8 2.78 1043 742 A 25 ALA H A 24 ALA HB% 1.0 1.8 2.82 1044 743 A 29 SER H A 31 LYS HGy 1.0 1.8 6.00 1045 744 A 32 PHE H A 31 LYS HGy 1.0 1.8 4.61 1046 745 A 12 MET H A 22 ALA HB% 1.0 1.8 2.77 1047 746 A 24 ALA H A 24 ALA HB% 1.0 1.8 2.62 1048 747 A 19 ALA HB% A 20 LYS H 1.0 1.8 2.95 1049 748 A 18 GLY HAx A 22 ALA HB% 1.0 1.8 4.68 1050 749 A 40 CYS HBy A 22 ALA HB% 1.0 1.8 4.39 1051 750 A 9 CYS HBy A 22 ALA HB% 1.0 1.8 3.79 1052 751 A 12 MET HBy A 22 ALA HB% 1.0 1.8 4.21 1053 752 A 22 ALA HB% A 12 MET HGx 1.0 1.8 4.52 1054 753 A 22 ALA HB% A 11 ARG HBx 1.0 1.8 3.50 1055 753 A 11 ARG HBy A 22 ALA HB% 1.0 1.8 3.50 1056 754 A 21 VAL HGx% A 24 ALA HB% 1.0 1.8 3.64 1057 755 A 6 PHE HZ A 46 ARG HGx 1.0 1.8 4.32 1058 755 A 6 PHE HZ A 46 ARG HGy 1.0 1.8 4.32 1059 756 A 20 LYS HEy A 20 LYS HGx 1.0 1.8 3.80 1060 756 A 20 LYS HEx A 20 LYS HGx 1.0 1.8 3.80 1061 757 A 46 ARG H A 46 ARG HGx 1.0 1.8 3.71 1062 757 A 46 ARG HGy A 46 ARG H 1.0 1.8 3.71 1063 758 A 16 ALA HB% A 16 ALA H 1.0 1.8 2.94 1064 759 A 42 ARG H A 42 ARG HGy 1.0 1.8 4.00 1065 760 A 42 ARG HGy A 43 ARG H 1.0 1.8 4.91 1066 761 A 50 VAL HB A 43 ARG HDx 1.0 1.8 6.00 1067 761 A 50 VAL HB A 43 ARG HDy 1.0 1.8 6.00 1068 762 A 50 VAL H A 50 VAL HB 1.0 1.8 3.97 1069 763 A 41 GLU HBy A 50 VAL HB 1.0 1.8 4.51 1070 764 A 38 GLY H A 31 LYS HGx 1.0 1.8 6.00 1071 765 A 31 LYS H A 31 LYS HGx 1.0 1.8 3.77 1072 766 A 32 PHE H A 31 LYS HGx 1.0 1.8 5.27 1073 767 A 31 LYS HGx A 30 CYS HBx 1.0 1.8 5.09 1074 767 A 30 CYS HBy A 31 LYS HGx 1.0 1.8 5.09 1075 768 A 31 LYS HGx A 27 ILE HA 1.0 1.8 5.74 1076 769 A 27 ILE HG2% A 31 LYS HGx 1.0 1.8 3.67 1077 770 A 4 LEU H A 4 LEU HBy 1.0 1.8 3.32 1078 771 A 5 ASP H A 4 LEU HBy 1.0 1.8 3.95 1079 772 A 42 ARG HGx A 43 ARG H 1.0 1.8 4.12 1080 773 A 42 ARG HGx A 46 ARG H 1.0 1.8 4.81 1081 774 A 42 ARG HGx A 45 GLY HAx 1.0 1.8 4.92 1082 775 A 42 ARG HGx A 12 MET HGx 1.0 1.8 6.00 1083 776 A 42 ARG HGx A 12 MET HE% 1.0 1.8 3.66 1084 777 A 3 ALA HB% A 1 GLY HAx 1.0 1.8 5.03 1085 777 A 3 ALA HB% A 1 GLY HAy 1.0 1.8 5.03 1086 778 A 42 ARG HGx A 45 GLY H 1.0 1.8 5.51 1087 779 A 3 ALA HB% A 3 ALA H 1.0 1.8 3.43 1088 780 A 7 THR HG2% A 6 PHE HBy 1.0 1.8 5.06 1089 781 A 8 SER H A 7 THR HG2% 1.0 1.8 4.33 1090 782 A 7 THR HG2% A 7 THR H 1.0 1.8 3.67 1091 783 A 9 CYS H A 7 THR HG2% 1.0 1.8 4.76 1092 784 A 6 PHE HE% A 7 THR HG2% 1.0 1.8 4.82 1093 785 A 10 ALA H A 7 THR HG2% 1.0 1.8 5.39 1094 786 A 6 PHE HZ A 7 THR HG2% 1.0 1.8 4.41 1095 787 A 10 ALA HA A 7 THR HG2% 1.0 1.8 5.50 1096 788 A 48 THR HB A 7 THR HG2% 1.0 1.8 6.00 1097 789 A 7 THR HG2% A 8 SER HBx 1.0 1.8 5.39 1098 789 A 8 SER HBy A 7 THR HG2% 1.0 1.8 5.39 1099 790 A 37 THR HA A 27 ILE HG1x 1.0 1.8 4.66 1100 791 A 24 ALA HA A 27 ILE HG1x 1.0 1.8 5.55 1101 792 A 27 ILE H A 27 ILE HG1x 1.0 1.8 3.72 1102 793 A 28 SER H A 27 ILE HG1x 1.0 1.8 5.05 1103 794 A 38 GLY H A 27 ILE HG1x 1.0 1.8 3.37 1104 795 A 27 ILE HA A 27 ILE HG1x 1.0 1.8 3.29 1105 796 A 27 ILE HG1x A 26 CYS HBx 1.0 1.8 4.72 1106 796 A 26 CYS HBy A 27 ILE HG1x 1.0 1.8 4.72 1107 797 A 27 ILE HG1x A 23 GLN HGx 1.0 1.8 5.07 1108 797 A 23 GLN HGy A 27 ILE HG1x 1.0 1.8 5.07 1109 798 A 21 VAL HGy% A 17 LEU H 1.0 1.8 5.65 1110 799 A 21 VAL HGy% A 21 VAL H 1.0 1.8 2.83 1111 800 A 21 VAL HGy% A 11 ARG HE 1.0 1.8 4.92 1112 801 A 21 VAL HGy% A 20 LYS H 1.0 1.8 4.85 1113 802 A 21 VAL HGy% A 17 LEU HA 1.0 1.8 5.01 1114 803 A 21 VAL HGy% A 18 GLY HAy 1.0 1.8 4.15 1115 804 A 21 VAL HGy% A 20 LYS HEx 1.0 1.8 5.34 1116 804 A 21 VAL HGy% A 20 LYS HEy 1.0 1.8 5.34 1117 805 A 21 VAL HGy% A 14 ASP HBy 1.0 1.8 6.00 1118 806 A 21 VAL HGy% A 14 ASP HBx 1.0 1.8 5.29 1119 807 A 21 VAL HGy% A 17 LEU HBx 1.0 1.8 3.73 1120 807 A 21 VAL HGy% A 17 LEU HBy 1.0 1.8 3.73 1121 808 A 21 VAL HGy% A 17 LEU HG 1.0 1.8 4.98 1122 809 A 21 VAL HGy% A 20 LYS HA 1.0 1.8 5.11 1123 810 A 4 LEU H A 4 LEU HBx 1.0 1.8 3.63 1124 811 A 4 LEU HBx A 4 LEU HDy% 1.0 1.8 3.19 1125 812 A 11 ARG H A 21 VAL HGx% 1.0 1.8 5.32 1126 813 A 22 ALA H A 21 VAL HGx% 1.0 1.8 3.44 1127 814 A 21 VAL H A 21 VAL HGx% 1.0 1.8 4.18 1128 815 A 25 ALA H A 21 VAL HGx% 1.0 1.8 4.54 1129 816 A 21 VAL HGx% A 21 VAL HA 1.0 1.8 2.95 1130 817 A 21 VAL HGx% A 11 ARG HDx 1.0 1.8 3.71 1131 817 A 21 VAL HGx% A 11 ARG HDy 1.0 1.8 3.71 1132 818 A 24 ALA HA A 27 ILE HD1% 1.0 1.8 3.33 1133 819 A 30 CYS H A 27 ILE HG2% 1.0 1.8 4.98 1134 820 A 53 ARG H A 37 THR HG2% 1.0 1.8 5.39 1135 821 A 17 LEU H A 17 LEU HDy% 1.0 1.8 3.67 1136 822 A 27 ILE H A 27 ILE HD1% 1.0 1.8 3.43 1137 823 A 52 SER H A 37 THR HG2% 1.0 1.8 3.64 1138 824 A 48 THR HG2% A 49 CYS H 1.0 1.8 3.29 1139 825 A 28 SER H A 27 ILE HG2% 1.0 1.8 3.27 1140 826 A 38 GLY H A 27 ILE HG2% 1.0 1.8 3.17 1141 827 A 37 THR HG2% A 37 THR H 1.0 1.8 3.11 1142 828 A 27 ILE HD1% A 23 GLN HA 1.0 1.8 4.33 1143 829 A 27 ILE HG2% A 27 ILE HA 1.0 1.8 2.85 1144 830 A 27 ILE HG2% A 30 CYS HBx 1.0 1.8 3.75 1145 830 A 27 ILE HG2% A 30 CYS HBy 1.0 1.8 3.75 1146 831 A 27 ILE HG2% A 31 LYS HGy 1.0 1.8 3.08 1147 832 A 18 GLY H A 17 LEU HDy% 1.0 1.8 4.87 1148 833 A 64 LEU H A 64 LEU HDx% 1.0 1.8 5.14 1149 834 A 64 LEU H A 64 LEU HDy% 1.0 1.8 5.14 1150 835 A 64 LEU HBx A 64 LEU HDy% 1.0 1.8 3.55 1151 835 A 64 LEU HBy A 64 LEU HDy% 1.0 1.8 3.55 1152 836 A 41 GLU H A 50 VAL HGy% 1.0 1.8 4.66 1153 837 A 50 VAL HGy% A 39 HIS H 1.0 1.8 4.05 1154 838 A 4 LEU H A 4 LEU HDy% 1.0 1.8 3.77 1155 839 A 39 HIS HD2 A 50 VAL HGy% 1.0 1.8 4.32 1156 840 A 50 VAL HGy% A 39 HIS HBx 1.0 1.8 4.75 1157 840 A 50 VAL HGy% A 39 HIS HBy 1.0 1.8 4.75 1158 841 A 4 LEU HBx A 4 LEU HDx% 1.0 1.8 3.29 1159 842 A 50 VAL HGy% A 50 VAL H 1.0 1.8 3.48 1160 843 A 50 VAL HGy% A 39 HIS HE1 1.0 1.8 3.15 1161 844 A 5 ASP H A 4 LEU HDy% 1.0 1.8 3.86 1162 845 A 50 VAL HGy% A 43 ARG HE 1.0 1.8 5.34 1163 846 A 50 VAL HGy% A 50 VAL HA 1.0 1.8 3.33 1164 847 A 3 ALA HB% A 4 LEU HDy% 1.0 1.8 4.22 1165 848 A 41 GLU H A 50 VAL HGx% 1.0 1.8 3.66 1166 849 A 42 ARG H A 50 VAL HGx% 1.0 1.8 5.64 1167 850 A 50 VAL H A 50 VAL HGx% 1.0 1.8 3.19 1168 851 A 50 VAL HGx% A 49 CYS H 1.0 1.8 4.30 1169 852 A 50 VAL HGx% A 43 ARG H 1.0 1.8 5.76 1170 853 A 50 VAL HGx% A 43 ARG HE 1.0 1.8 4.55 1171 854 A 50 VAL HGx% A 40 CYS HA 1.0 1.8 4.54 1172 855 A 50 VAL HGx% A 43 ARG HDx 1.0 1.8 4.45 1173 855 A 50 VAL HGx% A 43 ARG HDy 1.0 1.8 4.45 1174 856 A 50 VAL HGx% A 41 GLU HGx 1.0 1.8 3.95 1175 856 A 50 VAL HGx% A 41 GLU HGy 1.0 1.8 3.95 1176 857 A 50 VAL HGx% A 43 ARG HGx 1.0 1.8 4.10 1177 857 A 43 ARG HGy A 50 VAL HGx% 1.0 1.8 4.10 1178 858 A 48 THR HG2% A 50 VAL HGx% 1.0 1.8 3.38 1179 859 A 6 PHE H A 5 ASP H 1.0 1.8 4.50 1180 860 A 30 CYS H A 32 PHE H 1.0 1.8 4.44 1181 861 A 30 CYS H A 38 GLY H 1.0 1.8 5.77 1182 862 A 30 CYS H A 28 SER H 1.0 1.8 4.44 1183 863 A 39 HIS H A 38 GLY H 1.0 1.8 4.53 1184 864 A 21 VAL H A 23 GLN H 1.0 1.8 5.52 1185 865 A 21 VAL H A 19 ALA H 1.0 1.8 4.22 1186 866 A 8 SER H A 9 CYS HBx 1.0 1.8 5.39 1187 867 A 41 GLU H A 9 CYS HBy 1.0 1.8 5.21 1188 868 A 48 THR H A 9 CYS HBy 1.0 1.8 5.60 1189 869 A 11 ARG H A 8 SER HA 1.0 1.8 5.69 1190 870 A 11 ARG H A 12 MET HBx 1.0 1.8 4.92 1191 871 A 40 CYS H A 27 ILE HD1% 1.0 1.8 6.00 1192 872 A 30 CYS H A 32 PHE HBy 1.0 1.8 5.19 1193 873 A 52 SER H A 51 CYS HBy 1.0 1.8 3.59 1194 874 A 55 GLY H A 34 ASN HBy 1.0 1.8 3.83 1195 875 A 35 CYS H A 34 ASN HA 1.0 1.8 3.21 1196 876 A 64 LEU H A 65 PRO HGx 1.0 1.8 5.54 1197 876 A 64 LEU H A 65 PRO HGy 1.0 1.8 5.54 1198 877 A 35 CYS H A 31 LYS HBx 1.0 1.8 4.80 1199 877 A 35 CYS H A 31 LYS HBy 1.0 1.8 4.80 1200 878 A 21 VAL HGy% A 18 GLY H 1.0 1.8 4.38 1201 879 A 23 GLN H A 23 GLN HBy 1.0 1.8 3.60 1202 880 A 19 ALA HB% A 18 GLY H 1.0 1.8 4.56 1203 881 A 46 ARG HE A 46 ARG HA 1.0 1.8 5.29 1204 882 A 9 CYS H A 49 CYS HA 1.0 1.8 4.92 1205 883 A 63 ASN H A 61 TRP HA 1.0 1.8 5.07 1206 884 A 20 LYS HA A 23 GLN HBy 1.0 1.8 5.10 1207 885 A 38 GLY HAx A 27 ILE HG2% 1.0 1.8 4.49 1208 886 A 36 GLY HAx A 37 THR HB 1.0 1.8 4.40 1209 887 A 9 CYS HBy A 10 ALA HA 1.0 1.8 5.01 1210 888 A 18 GLY HAx A 17 LEU HBx 1.0 1.8 3.96 1211 888 A 18 GLY HAx A 17 LEU HBy 1.0 1.8 3.96 1212 889 A 23 GLN HGx A 26 CYS HBx 1.0 1.8 4.87 1213 889 A 23 GLN HGy A 26 CYS HBx 1.0 1.8 4.87 1214 889 A 26 CYS HBy A 23 GLN HGx 1.0 1.8 4.87 1215 889 A 23 GLN HGy A 26 CYS HBy 1.0 1.8 4.87 1216 890 A 50 VAL HGx% A 12 MET HE% 1.0 1.8 5.21 1217 891 A 50 VAL HGx% A 9 CYS HBx 1.0 1.8 5.90 1218 892 A 21 VAL HB A 18 GLY HAy 1.0 1.8 4.27 1219 893 A 31 LYS HGy A 27 ILE HA 1.0 1.8 4.17 1220 894 A 41 GLU HGy A 43 ARG HGx 1.0 1.8 4.39 1221 894 A 41 GLU HGx A 43 ARG HGx 1.0 1.8 4.39 1222 894 A 43 ARG HGy A 41 GLU HGx 1.0 1.8 4.39 1223 894 A 43 ARG HGy A 41 GLU HGy 1.0 1.8 4.39 1224 895 A 4 LEU HBy A 4 LEU HDx% 1.0 1.8 3.48 1225 896 A 4 LEU HDy% A 4 LEU HBy 1.0 1.8 3.62 1226 897 A 21 VAL HA A 20 LYS HBx 1.0 1.8 4.19 1227 897 A 20 LYS HBy A 21 VAL HA 1.0 1.8 4.19 1228 898 A 50 VAL HGy% A 43 ARG HGx 1.0 1.8 4.73 1229 898 A 43 ARG HGy A 50 VAL HGy% 1.0 1.8 4.73 1230 899 A 37 THR HG2% A 53 ARG HBx 1.0 1.8 3.55 1231 899 A 37 THR HG2% A 53 ARG HBy 1.0 1.8 3.55 1232 900 A 27 ILE HA A 31 LYS HDx 1.0 1.8 4.11 1233 900 A 27 ILE HA A 31 LYS HDy 1.0 1.8 4.11 1234 901 A 45 GLY HAx A 42 ARG HBx 1.0 1.8 4.58 1235 902 A 9 CYS HBy A 12 MET HE% 1.0 1.8 3.99 1236 903 A 41 GLU HBy A 48 THR HB 1.0 1.8 5.57 1237 904 A 48 THR HG2% A 7 THR HG2% 1.0 1.8 3.91 1238 905 A 26 CYS HA A 25 ALA HB% 1.0 1.8 3.82 1239 906 A 27 ILE H A 23 GLN HA 1.0 1.8 4.09 1240 907 A 9 CYS H A 10 ALA HB% 1.0 1.8 4.03 1241 908 A 3 ALA H A 1 GLY HAx 1.0 1.8 4.54 1242 908 A 3 ALA H A 1 GLY HAy 1.0 1.8 4.54 1243 909 A 11 ARG H A 12 MET HGx 1.0 1.8 4.75 1244 910 A 27 ILE H A 25 ALA HA 1.0 1.8 5.06 1245 911 A 51 CYS HA A 30 CYS HA 1.0 1.8 6.00 1246 912 A 51 CYS HA A 37 THR HA 1.0 1.8 6.00 1247 913 A 40 CYS HA A 12 MET HBx 1.0 1.8 5.61 1248 914 A 23 GLN H A 23 GLN HBx 1.0 1.8 2.93 1249 915 A 31 LYS H A 30 CYS HBx 1.0 1.8 3.77 1250 915 A 31 LYS H A 30 CYS HBy 1.0 1.8 3.77 1251 916 A 53 ARG H A 52 SER HBx 1.0 1.8 3.48 1252 916 A 53 ARG H A 52 SER HBy 1.0 1.8 3.48 1253 917 A 40 CYS H A 23 GLN HGx 1.0 1.8 6.00 1254 917 A 40 CYS H A 23 GLN HGy 1.0 1.8 6.00 1255 918 A 26 CYS H A 8 SER HBx 1.0 1.8 5.39 1256 918 A 26 CYS H A 8 SER HBy 1.0 1.8 5.39 1257 919 A 18 GLY HAx A 17 LEU H 1.0 1.8 5.96 1258 920 A 18 GLY H A 16 ALA HA 1.0 1.8 4.65 1259 921 A 46 ARG H A 43 ARG HBx 1.0 1.8 4.86 1260 921 A 43 ARG HBy A 46 ARG H 1.0 1.8 4.86 1261 922 A 34 ASN H A 33 GLN HGx 1.0 1.8 4.88 1262 923 A 61 TRP H A 61 TRP HD1 1.0 1.8 4.86 1263 924 A 9 CYS H A 11 ARG HDx 1.0 1.8 4.79 1264 924 A 9 CYS H A 11 ARG HDy 1.0 1.8 4.79 1265 925 A 31 LYS H A 27 ILE HA 1.0 1.8 4.54 1266 926 A 6 PHE H A 6 PHE HD% 1.0 1.8 4.83 1267 927 A 11 ARG H A 11 ARG HGx 1.0 1.8 3.14 1268 927 A 11 ARG H A 11 ARG HGy 1.0 1.8 3.14 1269 928 A 41 GLU H A 48 THR HB 1.0 1.8 4.90 1270 929 A 9 CYS H A 12 MET HE% 1.0 1.8 5.37 1271 930 A 36 GLY H A 37 THR H 1.0 1.8 3.43 1272 931 A 38 GLY H A 27 ILE HG1y 1.0 1.8 3.94 1273 932 A 12 MET HA A 19 ALA H 1.0 1.8 4.43 1274 933 A 14 ASP H A 11 ARG HA 1.0 1.8 4.59 1275 934 A 10 ALA H A 9 CYS HBx 1.0 1.8 4.42 1276 935 A 33 GLN H A 32 PHE H 1.0 1.8 3.22 1277 936 A 33 GLN H A 30 CYS HA 1.0 1.8 3.57 1278 937 A 22 ALA H A 20 LYS H 1.0 1.8 4.49 1279 938 A 26 CYS H A 24 ALA H 1.0 1.8 4.28 1280 939 A 45 GLY H A 46 ARG H 1.0 1.8 3.89 1281 940 A 43 ARG H A 46 ARG H 1.0 1.8 3.62 1282 941 A 42 ARG HA A 46 ARG H 1.0 1.8 4.65 1283 942 A 46 ARG H A 44 GLY HAx 1.0 1.8 4.51 1284 942 A 46 ARG H A 44 GLY HAy 1.0 1.8 4.51 1285 943 A 13 ASN H A 15 GLY H 1.0 1.8 5.17 1286 944 A 15 GLY H A 16 ALA H 1.0 1.8 5.44 1287 945 A 37 THR H A 38 GLY HAy 1.0 1.8 4.66 1288 946 A 25 ALA H A 23 GLN H 1.0 1.8 4.60 1289 947 A 23 GLN H A 20 LYS HA 1.0 1.8 4.16 1290 948 A 12 MET HA A 23 GLN H 1.0 1.8 5.52 1291 949 A 23 GLN H A 21 VAL HA 1.0 1.8 5.95 1292 950 A 19 ALA H A 17 LEU H 1.0 1.8 4.30 1293 951 A 19 ALA H A 16 ALA HA 1.0 1.8 3.94 1294 952 A 19 ALA H A 20 LYS HBx 1.0 1.8 4.64 1295 952 A 19 ALA H A 20 LYS HBy 1.0 1.8 4.64 1296 953 A 19 ALA H A 17 LEU HBx 1.0 1.8 5.16 1297 953 A 17 LEU HBy A 19 ALA H 1.0 1.8 5.16 1298 954 A 19 ALA H A 20 LYS HDx 1.0 1.8 5.86 1299 954 A 20 LYS HDy A 19 ALA H 1.0 1.8 5.86 1300 955 A 11 ARG H A 12 MET H 1.0 1.8 3.52 1301 956 A 12 MET H A 19 ALA HA 1.0 1.8 5.01 1302 957 A 12 MET H A 12 MET HBx 1.0 1.8 3.28 1303 958 A 28 SER H A 24 ALA HB% 1.0 1.8 4.82 1304 959 A 32 PHE H A 32 PHE HBx 1.0 1.8 3.38 1305 960 A 13 ASN H A 14 ASP H 1.0 1.8 3.09 1306 961 A 14 ASP H A 13 ASN HBy 1.0 1.8 5.09 1307 962 A 33 GLN H A 34 ASN H 1.0 1.8 3.32 1308 963 A 68 GLY H A 67 ARG HBy 1.0 1.8 5.00 1309 964 A 4 LEU H A 3 ALA HB% 1.0 1.8 3.37 1310 965 A 64 LEU H A 64 LEU HG 1.0 1.8 4.04 1311 966 A 35 CYS H A 34 ASN HBy 1.0 1.8 4.49 1312 967 A 60 GLU H A 59 GLY HAx 1.0 1.8 3.31 1313 967 A 60 GLU H A 59 GLY HAy 1.0 1.8 3.31 1314 968 A 43 ARG H A 44 GLY H 1.0 1.8 4.56 1315 969 A 43 ARG H A 47 PRO HA 1.0 1.8 4.31 1316 970 A 48 THR HB A 43 ARG H 1.0 1.8 4.81 1317 971 A 43 ARG H A 43 ARG HBx 1.0 1.8 3.61 1318 971 A 43 ARG H A 43 ARG HBy 1.0 1.8 3.61 1319 972 A 43 ARG H A 46 ARG HBx 1.0 1.8 3.85 1320 972 A 43 ARG H A 46 ARG HBy 1.0 1.8 3.85 1321 973 A 61 TRP H A 61 TRP HBy 1.0 1.8 3.96 1322 974 A 61 TRP H A 60 GLU HGy 1.0 1.8 5.26 1323 975 A 66 SER H A 66 SER HBx 1.0 1.8 4.12 1324 975 A 66 SER H A 66 SER HBy 1.0 1.8 4.12 1325 976 A 2 SER HA A 3 ALA H 1.0 1.8 3.29 1326 977 A 26 CYS H A 25 ALA H 1.0 1.8 3.11 1327 978 A 25 ALA H A 22 ALA HA 1.0 1.8 4.15 1328 979 A 21 VAL H A 18 GLY HAy 1.0 1.8 4.66 1329 980 A 25 ALA H A 27 ILE HB 1.0 1.8 5.76 1330 981 A 49 CYS H A 48 THR HA 1.0 1.8 3.09 1331 982 A 38 GLY HAx A 52 SER H 1.0 1.8 4.93 1332 983 A 27 ILE H A 24 ALA HB% 1.0 1.8 5.05 1333 984 A 27 ILE H A 27 ILE HG2% 1.0 1.8 4.21 1334 985 A 30 CYS H A 31 LYS H 1.0 1.8 3.29 1335 986 A 31 LYS H A 31 LYS HDx 1.0 1.8 4.78 1336 986 A 31 LYS H A 31 LYS HDy 1.0 1.8 4.78 1337 987 A 26 CYS H A 23 GLN H 1.0 1.8 4.95 1338 988 A 26 CYS H A 22 ALA HA 1.0 1.8 4.38 1339 989 A 26 CYS H A 25 ALA HA 1.0 1.8 3.55 1340 990 A 26 CYS H A 26 CYS HBx 1.0 1.8 3.33 1341 990 A 26 CYS H A 26 CYS HBy 1.0 1.8 3.33 1342 991 A 16 ALA HB% A 17 LEU H 1.0 1.8 3.43 1343 992 A 15 GLY HAy A 16 ALA H 1.0 1.8 3.41 1344 993 A 16 ALA H A 17 LEU HBx 1.0 1.8 4.73 1345 993 A 17 LEU HBy A 16 ALA H 1.0 1.8 4.73 1346 994 A 50 VAL HGy% A 51 CYS H 1.0 1.8 3.82 1347 995 A 13 ASN H A 11 ARG HA 1.0 1.8 4.69 1348 996 A 13 ASN H A 13 ASN HBx 1.0 1.8 3.99 1349 997 A 7 THR HB A 7 THR H 1.0 1.8 4.00 1350 998 A 50 VAL H A 49 CYS HBx 1.0 1.8 4.88 1351 999 A 30 CYS H A 27 ILE HB 1.0 1.8 5.42 1352 1000 A 42 ARG H A 42 ARG HBy 1.0 1.8 3.30 1353 1001 A 48 THR H A 47 PRO HA 1.0 1.8 2.97 1354 1002 A 48 THR H A 43 ARG HBx 1.0 1.8 5.49 1355 1002 A 48 THR H A 43 ARG HBy 1.0 1.8 5.49 1356 1003 A 48 THR H A 47 PRO HGx 1.0 1.8 5.76 1357 1003 A 48 THR H A 47 PRO HGy 1.0 1.8 5.76 1358 1004 A 8 SER H A 8 SER HBx 1.0 1.8 3.72 1359 1004 A 8 SER H A 8 SER HBy 1.0 1.8 3.72 1360 1005 A 39 HIS H A 37 THR HG2% 1.0 1.8 5.38 1361 1006 A 17 LEU H A 20 LYS HBx 1.0 1.8 5.52 1362 1006 A 20 LYS HBy A 17 LEU H 1.0 1.8 5.52 1363 1007 A 30 CYS H A 31 LYS HGy 1.0 1.8 5.35 1364 1008 A 39 HIS H A 26 CYS HBx 1.0 1.8 5.10 1365 1008 A 39 HIS H A 26 CYS HBy 1.0 1.8 5.10 1366 1009 A 41 GLU H A 12 MET HE% 1.0 1.8 4.93 1367 1010 A 41 GLU HBy A 43 ARG HE 1.0 1.8 4.65 1368 1011 A 11 ARG HE A 11 ARG HA 1.0 1.8 5.90 1369 1012 A 50 VAL H A 41 GLU HA 1.0 1.8 5.69 1370 1013 A 10 ALA H A 48 THR HA 1.0 1.8 5.31 1371 1014 A 40 CYS HBy A 12 MET H 1.0 1.8 5.16 1372 1015 A 14 ASP H A 19 ALA HB% 1.0 1.8 5.66 1373 1016 A 14 ASP H A 22 ALA HB% 1.0 1.8 6.00 1374 1017 A 31 LYS H A 27 ILE HG2% 1.0 1.8 4.94 1375 1018 A 18 GLY H A 17 LEU HDx% 1.0 1.8 5.19 1376 1019 A 23 GLN H A 27 ILE HD1% 1.0 1.8 5.48 1377 1020 A 10 ALA HB% A 13 ASN HD2y 1.0 1.8 5.31 1378 1021 A 41 GLU H A 47 PRO HA 1.0 1.8 5.53 1379 1022 A 42 ARG H A 47 PRO HA 1.0 1.8 5.01 1380 1023 A 6 PHE HBy A 7 THR H 1.0 1.8 4.99 1381 1024 A 21 VAL HGx% A 11 ARG HA 1.0 1.8 5.69 1382 1025 A 10 ALA HA A 12 MET HE% 1.0 1.8 4.36 1383 1026 A 27 ILE H A 27 ILE HB 1.0 1.8 3.74 1384 1027 A 10 ALA HA A 12 MET HGx 1.0 1.8 4.31 1385 1028 A 17 LEU HDx% A 20 LYS HDx 1.0 1.8 6.00 1386 1028 A 20 LYS HDy A 17 LEU HDx% 1.0 1.8 6.00 1387 1029 A 17 LEU HDy% A 20 LYS HDx 1.0 1.8 6.00 1388 1029 A 20 LYS HDy A 17 LEU HDy% 1.0 1.8 6.00 1389 1030 A 20 LYS H A 23 GLN HGx 1.0 1.8 5.20 1390 1030 A 23 GLN HGy A 20 LYS H 1.0 1.8 5.20 1391 1031 A 38 GLY H A 27 ILE HD1% 1.0 1.8 4.62 1392 1032 A 37 THR HA A 31 LYS HDx 1.0 1.8 5.55 1393 1032 A 37 THR HA A 31 LYS HDy 1.0 1.8 5.55 1394 1033 A 35 CYS HBy A 51 CYS HBy 1.0 1.8 4.13 1395 1034 A 29 SER HA A 28 SER HA 1.0 1.8 4.89 1396 1035 A 8 SER HA A 25 ALA HB% 1.0 1.8 4.78 1397 1036 A 25 ALA HB% A 29 SER HBx 1.0 1.8 5.02 1398 1036 A 29 SER HBy A 25 ALA HB% 1.0 1.8 5.02 1399 1037 A 31 LYS HA A 31 LYS HDx 1.0 1.8 4.37 1400 1037 A 31 LYS HA A 31 LYS HDy 1.0 1.8 4.37 1401 1038 A 51 CYS HA A 38 GLY HAy 1.0 1.8 3.75 1402 1039 A 27 ILE HD1% A 39 HIS HBx 1.0 1.8 5.20 1403 1039 A 27 ILE HD1% A 39 HIS HBy 1.0 1.8 5.20 1404 1040 A 4 LEU HA A 4 LEU HDy% 1.0 1.8 3.67 1405 1041 A 4 LEU HA A 4 LEU HDx% 1.0 1.8 4.35 1406 1042 A 27 ILE HG2% A 27 ILE HG1x 1.0 1.8 3.01 1407 1043 A 17 LEU HA A 17 LEU HDy% 1.0 1.8 4.26 1408 1044 A 48 THR HG2% A 49 CYS HA 1.0 1.8 4.43 1409 1045 A 6 PHE H A 7 THR HG2% 1.0 1.8 4.93 1410 1046 A 22 ALA HB% A 9 CYS HBx 1.0 1.8 4.18 1411 1047 A 48 THR HB A 43 ARG HGx 1.0 1.8 4.50 1412 1047 A 43 ARG HGy A 48 THR HB 1.0 1.8 4.50 1413 1048 A 13 ASN H A 11 ARG HGx 1.0 1.8 5.29 1414 1048 A 13 ASN H A 11 ARG HGy 1.0 1.8 5.29 1415 1049 A 17 LEU H A 17 LEU HG 1.0 1.8 5.54 1416 1050 A 22 ALA HA A 25 ALA HB% 1.0 1.8 3.80 1417 1051 A 31 LYS HGx A 31 LYS HDx 1.0 1.8 2.90 1418 1051 A 31 LYS HGx A 31 LYS HDy 1.0 1.8 2.90 1419 1052 A 12 MET HE% A 47 PRO HDx 1.0 1.8 4.43 1420 1052 A 12 MET HE% A 47 PRO HDy 1.0 1.8 4.43 1421 1053 A 17 LEU HDy% A 20 LYS HBx 1.0 1.8 4.18 1422 1053 A 20 LYS HBy A 17 LEU HDy% 1.0 1.8 4.18 1423 1054 A 24 ALA HA A 23 GLN HBy 1.0 1.8 5.08 1424 1055 A 23 GLN HBy A 23 GLN HGx 1.0 1.8 2.81 1425 1055 A 23 GLN HGy A 23 GLN HBy 1.0 1.8 2.81 1426 1056 A 33 GLN HGy A 30 CYS HA 1.0 1.8 4.71 1427 1057 A 19 ALA HB% A 20 LYS HEx 1.0 1.8 4.45 1428 1057 A 19 ALA HB% A 20 LYS HEy 1.0 1.8 4.45 1429 1058 A 18 GLY HAx A 11 ARG HGx 1.0 1.8 4.35 1430 1058 A 18 GLY HAx A 11 ARG HGy 1.0 1.8 4.35 1431 1059 A 28 SER HBx A 31 LYS HBx 1.0 1.8 4.53 1432 1059 A 28 SER HBy A 31 LYS HBx 1.0 1.8 4.53 1433 1059 A 31 LYS HBy A 28 SER HBx 1.0 1.8 4.53 1434 1059 A 31 LYS HBy A 28 SER HBy 1.0 1.8 4.53 1435 1060 A 27 ILE HG2% A 28 SER HBx 1.0 1.8 4.53 1436 1060 A 27 ILE HG2% A 28 SER HBy 1.0 1.8 4.53 1437 1061 A 28 SER H A 25 ALA HA 1.0 1.8 5.15 1438 1062 A 19 ALA HB% A 17 LEU HA 1.0 1.8 4.82 1439 1063 A 11 ARG HA A 11 ARG HGx 1.0 1.8 3.67 1440 1063 A 11 ARG HGy A 11 ARG HA 1.0 1.8 3.67 1441 1064 A 30 CYS HA A 33 GLN HBx 1.0 1.8 4.48 1442 1064 A 30 CYS HA A 33 GLN HBy 1.0 1.8 4.48 1443 1065 A 27 ILE HG2% A 37 THR HA 1.0 1.8 3.98 1444 1066 A 37 THR HG2% A 37 THR HA 1.0 1.8 4.12 1445 1067 A 12 MET HE% A 12 MET HGx 1.0 1.8 3.11 1446 1068 A 40 CYS HBx A 26 CYS HBx 1.0 1.8 6.00 1447 1068 A 40 CYS HBx A 26 CYS HBy 1.0 1.8 6.00 1448 1069 A 51 CYS HBx A 52 SER HBx 1.0 1.8 6.00 1449 1069 A 51 CYS HBx A 52 SER HBy 1.0 1.8 6.00 1450 1070 A 51 CYS HBy A 30 CYS HBx 1.0 1.8 3.70 1451 1070 A 30 CYS HBy A 51 CYS HBy 1.0 1.8 3.70 1452 1071 A 10 ALA HB% A 47 PRO HGx 1.0 1.8 4.10 1453 1071 A 10 ALA HB% A 47 PRO HGy 1.0 1.8 4.10 1454 1072 A 40 CYS HBx A 9 CYS HBy 1.0 1.8 4.06 1455 1073 A 36 GLY HAx A 53 ARG HGx 1.0 1.8 4.65 1456 1073 A 36 GLY HAx A 53 ARG HGy 1.0 1.8 4.65 1457 1074 A 12 MET HE% A 41 GLU HA 1.0 1.8 3.65 1458 1075 A 48 THR HG2% A 43 ARG HGx 1.0 1.8 4.52 1459 1075 A 43 ARG HGy A 48 THR HG2% 1.0 1.8 4.52 1460 1076 A 28 SER HA A 31 LYS HBx 1.0 1.8 4.72 1461 1076 A 31 LYS HBy A 28 SER HA 1.0 1.8 4.72 1462 1077 A 40 CYS HBy A 9 CYS HBx 1.0 1.8 3.61 1463 1078 A 22 ALA H A 12 MET HBx 1.0 1.8 5.53 1464 1079 A 38 GLY HAx A 27 ILE H 1.0 1.8 4.03 1465 1080 A 40 CYS H A 12 MET HE% 1.0 1.8 4.64 1466 1081 A 37 THR HA A 27 ILE HA 1.0 1.8 4.70 1467 1082 A 24 ALA H A 21 VAL HA 1.0 1.8 4.80 1468 1083 A 42 ARG HE A 46 ARG HBx 1.0 1.8 5.71 1469 1083 A 42 ARG HE A 46 ARG HBy 1.0 1.8 5.71 1470 1084 A 42 ARG H A 41 GLU HBx 1.0 1.8 4.74 1471 1085 A 52 SER H A 38 GLY HAy 1.0 1.8 3.77 1472 1086 A 4 LEU HBx A 5 ASP HBx 1.0 1.8 5.13 1473 1086 A 4 LEU HBx A 5 ASP HBy 1.0 1.8 5.13 1474 1087 A 4 LEU HBy A 5 ASP HBx 1.0 1.8 5.40 1475 1087 A 4 LEU HBy A 5 ASP HBy 1.0 1.8 5.40 1476 1088 A 4 LEU HDx% A 5 ASP HBx 1.0 1.8 5.45 1477 1088 A 4 LEU HDx% A 5 ASP HBy 1.0 1.8 5.45 1478 1089 A 4 LEU HDy% A 5 ASP HBx 1.0 1.8 4.08 1479 1089 A 4 LEU HDy% A 5 ASP HBy 1.0 1.8 4.08 1480 1090 A 5 ASP H A 5 ASP HBx 1.0 1.8 3.19 1481 1090 A 5 ASP H A 5 ASP HBy 1.0 1.8 3.19 1482 1091 A 6 PHE H A 5 ASP HBx 1.0 1.8 3.63 1483 1091 A 6 PHE H A 5 ASP HBy 1.0 1.8 3.63 1484 1092 A 6 PHE HA A 5 ASP HBx 1.0 1.8 5.15 1485 1092 A 5 ASP HBy A 6 PHE HA 1.0 1.8 5.15 1486 1093 A 7 THR H A 5 ASP HBx 1.0 1.8 4.43 1487 1093 A 7 THR H A 5 ASP HBy 1.0 1.8 4.43 1488 1094 A 7 THR HG2% A 5 ASP HBx 1.0 1.8 5.77 1489 1094 A 7 THR HG2% A 5 ASP HBy 1.0 1.8 5.77 1490 1095 A 8 SER H A 5 ASP HBx 1.0 1.8 5.75 1491 1095 A 8 SER H A 5 ASP HBy 1.0 1.8 5.75 1492 1096 A 8 SER HA A 5 ASP HBx 1.0 1.8 5.29 1493 1096 A 8 SER HA A 5 ASP HBy 1.0 1.8 5.29 1494 1097 A 7 THR HG2% A 49 CYS HBx 1.0 1.8 5.81 1495 1097 A 7 THR HG2% A 49 CYS HBy 1.0 1.8 5.81 1496 1098 A 8 SER H A 49 CYS HBx 1.0 1.8 4.53 1497 1098 A 8 SER H A 49 CYS HBy 1.0 1.8 4.53 1498 1099 A 8 SER HA A 49 CYS HBx 1.0 1.8 5.74 1499 1099 A 8 SER HA A 49 CYS HBy 1.0 1.8 5.74 1500 1100 A 9 CYS H A 49 CYS HBx 1.0 1.8 4.22 1501 1100 A 9 CYS H A 49 CYS HBy 1.0 1.8 4.22 1502 1101 A 9 CYS HBy A 49 CYS HBx 1.0 1.8 5.81 1503 1101 A 9 CYS HBy A 49 CYS HBy 1.0 1.8 5.81 1504 1102 A 10 ALA H A 13 ASN HD2x 1.0 1.8 5.77 1505 1102 A 10 ALA H A 13 ASN HD2y 1.0 1.8 5.77 1506 1103 A 10 ALA HA A 13 ASN HD2x 1.0 1.8 4.12 1507 1103 A 10 ALA HA A 13 ASN HD2y 1.0 1.8 4.12 1508 1104 A 10 ALA HB% A 13 ASN HD2x 1.0 1.8 4.53 1509 1104 A 10 ALA HB% A 13 ASN HD2y 1.0 1.8 4.53 1510 1105 A 11 ARG H A 13 ASN HD2x 1.0 1.8 5.81 1511 1105 A 11 ARG H A 13 ASN HD2y 1.0 1.8 5.81 1512 1106 A 11 ARG HA A 13 ASN HD2x 1.0 1.8 5.62 1513 1106 A 11 ARG HA A 13 ASN HD2y 1.0 1.8 5.62 1514 1107 A 12 MET HGx A 13 ASN HD2x 1.0 1.8 4.71 1515 1107 A 12 MET HGx A 13 ASN HD2y 1.0 1.8 4.71 1516 1108 A 12 MET HGy A 13 ASN HD2x 1.0 1.8 3.44 1517 1108 A 12 MET HGy A 13 ASN HD2y 1.0 1.8 3.44 1518 1109 A 12 MET HE% A 13 ASN HD2x 1.0 1.8 4.56 1519 1109 A 12 MET HE% A 13 ASN HD2y 1.0 1.8 4.56 1520 1110 A 13 ASN H A 13 ASN HBy 1.0 1.8 3.11 1521 1110 A 13 ASN H A 13 ASN HBx 1.0 1.8 3.11 1522 1111 A 13 ASN H A 13 ASN HD2x 1.0 1.8 3.64 1523 1111 A 13 ASN H A 13 ASN HD2y 1.0 1.8 3.64 1524 1112 A 13 ASN HA A 13 ASN HD2x 1.0 1.8 4.67 1525 1112 A 13 ASN HA A 13 ASN HD2y 1.0 1.8 4.67 1526 1113 A 13 ASN HD2y A 13 ASN HBx 1.0 1.8 3.11 1527 1113 A 13 ASN HD2x A 13 ASN HBy 1.0 1.8 3.11 1528 1113 A 13 ASN HD2x A 13 ASN HBx 1.0 1.8 3.11 1529 1113 A 13 ASN HD2y A 13 ASN HBy 1.0 1.8 3.11 1530 1114 A 14 ASP H A 13 ASN HBy 1.0 1.8 4.31 1531 1114 A 14 ASP H A 13 ASN HBx 1.0 1.8 4.31 1532 1115 A 14 ASP H A 13 ASN HD2x 1.0 1.8 5.81 1533 1115 A 14 ASP H A 13 ASN HD2y 1.0 1.8 5.81 1534 1116 A 14 ASP HBy A 13 ASN HD2x 1.0 1.8 5.81 1535 1116 A 14 ASP HBy A 13 ASN HD2y 1.0 1.8 5.81 1536 1117 A 13 ASN HD2y A 47 PRO HGx 1.0 1.8 4.26 1537 1117 A 47 PRO HGy A 13 ASN HD2x 1.0 1.8 4.26 1538 1117 A 47 PRO HGy A 13 ASN HD2y 1.0 1.8 4.26 1539 1117 A 13 ASN HD2x A 47 PRO HGx 1.0 1.8 4.26 1540 1118 A 13 ASN HD2y A 47 PRO HDx 1.0 1.8 5.44 1541 1118 A 47 PRO HDy A 13 ASN HD2x 1.0 1.8 5.44 1542 1118 A 47 PRO HDy A 13 ASN HD2y 1.0 1.8 5.44 1543 1118 A 13 ASN HD2x A 47 PRO HDx 1.0 1.8 5.44 1544 1119 A 20 LYS H A 20 LYS HGx 1.0 1.8 4.15 1545 1119 A 20 LYS H A 20 LYS HGy 1.0 1.8 4.15 1546 1120 A 20 LYS HGx A 23 GLN HGx 1.0 1.8 5.41 1547 1120 A 20 LYS HGy A 23 GLN HGx 1.0 1.8 5.41 1548 1120 A 23 GLN HGy A 20 LYS HGx 1.0 1.8 5.41 1549 1120 A 23 GLN HGy A 20 LYS HGy 1.0 1.8 5.41 1550 1121 A 23 GLN HE2y A 20 LYS HGx 1.0 1.8 5.42 1551 1121 A 23 GLN HE2y A 20 LYS HGy 1.0 1.8 5.42 1552 1122 A 34 ASN H A 34 ASN HD2y 1.0 1.8 5.56 1553 1122 A 34 ASN H A 34 ASN HD2x 1.0 1.8 5.56 1554 1123 A 34 ASN HA A 34 ASN HD2y 1.0 1.8 4.69 1555 1123 A 34 ASN HA A 34 ASN HD2x 1.0 1.8 4.69 1556 1124 A 34 ASN HBy A 34 ASN HD2y 1.0 1.8 3.46 1557 1124 A 34 ASN HBy A 34 ASN HD2x 1.0 1.8 3.46 1558 1125 A 55 GLY H A 34 ASN HD2y 1.0 1.8 5.38 1559 1125 A 55 GLY H A 34 ASN HD2x 1.0 1.8 5.38 1560 1126 A 55 GLY HAy A 34 ASN HD2y 1.0 1.8 4.42 1561 1126 A 34 ASN HD2x A 55 GLY HAx 1.0 1.8 4.42 1562 1126 A 55 GLY HAy A 34 ASN HD2x 1.0 1.8 4.42 1563 1126 A 34 ASN HD2y A 55 GLY HAx 1.0 1.8 4.42 1564 1127 A 35 CYS HA A 54 CYS HBx 1.0 1.8 3.98 1565 1127 A 35 CYS HA A 54 CYS HBy 1.0 1.8 3.98 1566 1128 A 36 GLY H A 54 CYS HBx 1.0 1.8 4.95 1567 1128 A 36 GLY H A 54 CYS HBy 1.0 1.8 4.95 1568 1129 A 41 GLU H A 49 CYS HBx 1.0 1.8 5.81 1569 1129 A 41 GLU H A 49 CYS HBy 1.0 1.8 5.81 1570 1130 A 48 THR HA A 49 CYS HBx 1.0 1.8 4.64 1571 1130 A 48 THR HA A 49 CYS HBy 1.0 1.8 4.64 1572 1131 A 49 CYS H A 49 CYS HBx 1.0 1.8 3.14 1573 1131 A 49 CYS H A 49 CYS HBy 1.0 1.8 3.14 1574 1132 A 50 VAL H A 49 CYS HBx 1.0 1.8 4.09 1575 1132 A 50 VAL H A 49 CYS HBy 1.0 1.8 4.09 1576 1133 A 50 VAL HA A 49 CYS HBx 1.0 1.8 5.59 1577 1133 A 50 VAL HA A 49 CYS HBy 1.0 1.8 5.59 1578 1134 A 50 VAL HGx% A 49 CYS HBx 1.0 1.8 5.28 1579 1134 A 50 VAL HGx% A 49 CYS HBy 1.0 1.8 5.28 1580 1135 A 53 ARG H A 54 CYS HBx 1.0 1.8 5.81 1581 1135 A 53 ARG H A 54 CYS HBy 1.0 1.8 5.81 1582 1136 A 53 ARG HA A 54 CYS HBx 1.0 1.8 5.15 1583 1136 A 53 ARG HA A 54 CYS HBy 1.0 1.8 5.15 1584 1137 A 54 CYS H A 54 CYS HBx 1.0 1.8 3.42 1585 1137 A 54 CYS H A 54 CYS HBy 1.0 1.8 3.42 1586 1138 A 55 GLY H A 54 CYS HBx 1.0 1.8 4.20 1587 1138 A 55 GLY H A 54 CYS HBy 1.0 1.8 4.20 1588 1139 A 54 CYS HBx A 55 GLY HAx 1.0 1.8 5.13 1589 1139 A 54 CYS HBy A 55 GLY HAx 1.0 1.8 5.13 1590 1139 A 55 GLY HAy A 54 CYS HBx 1.0 1.8 5.13 1591 1139 A 55 GLY HAy A 54 CYS HBy 1.0 1.8 5.13 1592 1140 A 56 ASN H A 54 CYS HBx 1.0 1.8 5.39 1593 1140 A 56 ASN H A 54 CYS HBy 1.0 1.8 5.39 1594 1141 A 56 ASN H A 56 ASN HD2x 1.0 1.8 5.29 1595 1141 A 56 ASN H A 56 ASN HD2y 1.0 1.8 5.29 1596 1142 A 59 GLY HAy A 60 GLU HGy 1.0 1.8 5.72 1597 1142 A 59 GLY HAx A 60 GLU HGy 1.0 1.8 5.72 1598 1142 A 60 GLU HGx A 59 GLY HAx 1.0 1.8 5.72 1599 1142 A 59 GLY HAy A 60 GLU HGx 1.0 1.8 5.72 1600 1143 A 60 GLU H A 60 GLU HBy 1.0 1.8 3.42 1601 1143 A 60 GLU H A 60 GLU HBx 1.0 1.8 3.42 1602 1144 A 60 GLU H A 60 GLU HGy 1.0 1.8 4.31 1603 1144 A 60 GLU H A 60 GLU HGx 1.0 1.8 4.31 1604 1145 A 60 GLU HA A 60 GLU HGy 1.0 1.8 3.55 1605 1145 A 60 GLU HGx A 60 GLU HA 1.0 1.8 3.55 1606 1146 A 60 GLU HA A 61 TRP HBx 1.0 1.8 5.81 1607 1146 A 60 GLU HA A 61 TRP HBy 1.0 1.8 5.81 1608 1147 A 61 TRP H A 60 GLU HBy 1.0 1.8 3.05 1609 1147 A 61 TRP H A 60 GLU HBx 1.0 1.8 3.05 1610 1148 A 61 TRP H A 60 GLU HGy 1.0 1.8 4.48 1611 1148 A 61 TRP H A 60 GLU HGx 1.0 1.8 4.48 1612 1149 A 61 TRP HA A 60 GLU HGy 1.0 1.8 5.81 1613 1149 A 61 TRP HA A 60 GLU HGx 1.0 1.8 5.81 1614 1150 A 61 TRP H A 61 TRP HBx 1.0 1.8 3.31 1615 1150 A 61 TRP H A 61 TRP HBy 1.0 1.8 3.31 1616 1151 A 64 LEU H A 61 TRP HBx 1.0 1.8 4.17 1617 1151 A 64 LEU H A 61 TRP HBy 1.0 1.8 4.17 1618 1152 A 64 LEU HA A 61 TRP HBx 1.0 1.8 4.68 1619 1152 A 64 LEU HA A 61 TRP HBy 1.0 1.8 4.68 1620 1153 A 61 TRP HBx A 64 LEU HDy% 1.0 1.8 4.79 1621 1153 A 61 TRP HBy A 64 LEU HDy% 1.0 1.8 4.79 1622 1153 A 64 LEU HDx% A 61 TRP HBx 1.0 1.8 4.79 1623 1153 A 61 TRP HBy A 64 LEU HDx% 1.0 1.8 4.79 1624 1154 A 61 TRP HBx A 65 PRO HDx 1.0 1.8 3.90 1625 1154 A 61 TRP HBy A 65 PRO HDx 1.0 1.8 3.90 1626 1154 A 65 PRO HDy A 61 TRP HBx 1.0 1.8 3.90 1627 1154 A 65 PRO HDy A 61 TRP HBy 1.0 1.8 3.90 1628 1155 A 63 ASN H A 63 ASN HBy 1.0 1.8 3.46 1629 1155 A 63 ASN H A 63 ASN HBx 1.0 1.8 3.46 1630 1156 A 63 ASN HBy A 63 ASN HD2x 1.0 1.8 3.18 1631 1156 A 63 ASN HBx A 63 ASN HD2x 1.0 1.8 3.18 1632 1156 A 63 ASN HD2y A 63 ASN HBy 1.0 1.8 3.18 1633 1156 A 63 ASN HBx A 63 ASN HD2y 1.0 1.8 3.18 1634 1157 A 64 LEU H A 63 ASN HBy 1.0 1.8 4.22 1635 1157 A 64 LEU H A 63 ASN HBx 1.0 1.8 4.22 1636 1158 A 64 LEU HG A 63 ASN HD2x 1.0 1.8 5.56 1637 1158 A 64 LEU HG A 63 ASN HD2y 1.0 1.8 5.56 1638 1159 A 63 ASN HD2y A 64 LEU HDy% 1.0 1.8 5.56 1639 1159 A 64 LEU HDx% A 63 ASN HD2x 1.0 1.8 5.56 1640 1159 A 64 LEU HDx% A 63 ASN HD2y 1.0 1.8 5.56 1641 1159 A 63 ASN HD2x A 64 LEU HDy% 1.0 1.8 5.56 1642 1160 A 64 LEU H A 64 LEU HDy% 1.0 1.8 4.49 1643 1160 A 64 LEU H A 64 LEU HDx% 1.0 1.8 4.49 1644 1161 A 64 LEU HA A 64 LEU HDy% 1.0 1.8 3.66 1645 1161 A 64 LEU HA A 64 LEU HDx% 1.0 1.8 3.66 1646 1162 A 68 GLY H A 67 ARG HBy 1.0 1.8 4.40 1647 1162 A 68 GLY H A 67 ARG HBx 1.0 1.8 4.40 stop_ save_ save_CNS/XPLOR_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_6 _nef_distance_restraint_list.restraint_origin undefined _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 9 CYS SG A 40 CYS SG 1.0 1.8 2.5 2 2 A 9 CYS SG A 40 CYS CB 1.0 1.8 3.5 3 3 A 40 CYS SG A 9 CYS CB 1.0 1.8 3.5 4 4 A 26 CYS SG A 49 CYS SG 1.0 1.8 2.5 5 5 A 26 CYS SG A 49 CYS CB 1.0 1.8 3.5 6 6 A 49 CYS SG A 26 CYS CB 1.0 1.8 3.5 7 7 A 30 CYS SG A 51 CYS SG 1.0 1.8 2.5 8 8 A 30 CYS SG A 51 CYS CB 1.0 1.8 3.5 9 9 A 51 CYS SG A 30 CYS CB 1.0 1.8 3.5 10 10 A 35 CYS SG A 54 CYS SG 1.0 1.8 2.5 11 11 A 35 CYS SG A 54 CYS CB 1.0 1.8 3.5 12 12 A 54 CYS SG A 35 CYS CB 1.0 1.8 3.5 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _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 12 MET H A 9 CYS O 1.0 1.8 2.22 2 2 A 9 CYS O A 12 MET N 1.0 1.8 3.13 3 3 A 13 ASN H A 10 ALA O 1.0 1.8 2.22 4 4 A 10 ALA O A 13 ASN N 1.0 1.8 3.13 5 5 A 14 ASP H A 11 ARG O 1.0 1.8 2.22 6 6 A 11 ARG O A 14 ASP N 1.0 1.8 3.13 7 7 A 21 VAL H A 17 LEU O 1.0 1.8 2.22 8 8 A 17 LEU O A 21 VAL N 1.0 1.8 3.13 9 9 A 22 ALA H A 18 GLY O 1.0 1.8 2.22 10 10 A 18 GLY O A 22 ALA N 1.0 1.8 3.13 11 11 A 23 GLN H A 19 ALA O 1.0 1.8 2.22 12 12 A 19 ALA O A 23 GLN N 1.0 1.8 3.13 13 13 A 24 ALA H A 20 LYS O 1.0 1.8 2.22 14 14 A 20 LYS O A 24 ALA N 1.0 1.8 3.13 15 15 A 25 ALA H A 21 VAL O 1.0 1.8 2.22 16 16 A 21 VAL O A 25 ALA N 1.0 1.8 3.13 17 17 A 26 CYS H A 22 ALA O 1.0 1.8 2.22 18 18 A 22 ALA O A 26 CYS N 1.0 1.8 3.13 19 19 A 27 ILE H A 23 GLN O 1.0 1.8 2.22 20 20 A 23 GLN O A 27 ILE N 1.0 1.8 3.13 21 21 A 28 SER H A 24 ALA O 1.0 1.8 2.22 22 22 A 24 ALA O A 28 SER N 1.0 1.8 3.13 23 23 A 29 SER H A 25 ALA O 1.0 1.8 2.22 24 24 A 25 ALA O A 29 SER N 1.0 1.8 3.13 25 25 A 30 CYS H A 26 CYS O 1.0 1.8 2.22 26 26 A 26 CYS O A 30 CYS N 1.0 1.8 3.13 27 27 A 31 LYS H A 27 ILE O 1.0 1.8 2.22 28 28 A 27 ILE O A 31 LYS N 1.0 1.8 3.13 29 29 A 32 PHE H A 28 SER O 1.0 1.8 2.22 30 30 A 28 SER O A 32 PHE N 1.0 1.8 3.13 31 31 A 33 GLN H A 30 CYS O 1.0 1.8 2.22 32 32 A 30 CYS O A 33 GLN N 1.0 1.8 3.13 33 33 A 34 ASN H A 31 LYS O 1.0 1.8 2.22 34 34 A 31 LYS O A 34 ASN N 1.0 1.8 3.13 35 35 A 35 CYS H A 30 CYS O 1.0 1.8 2.22 36 36 A 30 CYS O A 35 CYS N 1.0 1.8 3.13 37 37 A 37 THR H A 52 SER O 1.0 1.8 2.12 38 38 A 52 SER O A 37 THR N 1.0 1.8 3.05 39 39 A 39 HIS H A 50 VAL O 1.0 1.8 2.12 40 40 A 50 VAL O A 39 HIS N 1.0 1.8 3.05 41 41 A 41 GLU H A 48 THR O 1.0 1.8 2.12 42 42 A 48 THR O A 41 GLU N 1.0 1.8 3.05 43 43 A 43 ARG H A 46 ARG O 1.0 1.8 2.12 44 44 A 46 ARG O A 43 ARG N 1.0 1.8 3.05 45 45 A 43 ARG H A 46 ARG O 1.0 1.8 2.12 46 46 A 46 ARG O A 43 ARG N 1.0 1.8 3.05 47 47 A 46 ARG H A 43 ARG O 1.0 1.8 2.12 48 48 A 43 ARG O A 46 ARG N 1.0 1.8 3.05 49 49 A 48 THR H A 41 GLU O 1.0 1.8 2.12 50 50 A 41 GLU O A 48 THR N 1.0 1.8 3.05 51 51 A 50 VAL H A 39 HIS O 1.0 1.8 2.12 52 52 A 39 HIS O A 50 VAL N 1.0 1.8 3.05 53 53 A 52 SER H A 37 THR O 1.0 1.8 2.12 54 54 A 37 THR O A 52 SER N 1.0 1.8 3.05 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _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 6 PHE C A 7 THR N A 7 THR CA A 7 THR C 1.0 -121.9 -30.9 PHI 2 2 A 7 THR N A 7 THR CA A 7 THR C A 8 SER N 1.0 109.6 185.6 PSI 3 3 A 7 THR C A 8 SER N A 8 SER CA A 8 SER C 1.0 -79.0 -38.4 PHI 4 4 A 8 SER N A 8 SER CA A 8 SER C A 9 CYS N 1.0 -49.6 -18.6 PSI 5 5 A 8 SER C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -113.4 -39.8 PHI 6 6 A 9 CYS N A 9 CYS CA A 9 CYS C A 10 ALA N 1.0 -52.0 22.4 PSI 7 7 A 9 CYS C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -76.1 -40.7 PHI 8 8 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 ARG N 1.0 -64.0 -15.8 PSI 9 9 A 10 ALA C A 11 ARG N A 11 ARG CA A 11 ARG C 1.0 -78.6 -52.5 PHI 10 10 A 11 ARG N A 11 ARG CA A 11 ARG C A 12 MET N 1.0 -52.2 -12.8 PSI 11 11 A 11 ARG C A 12 MET N A 12 MET CA A 12 MET C 1.0 -71.3 -51.3 PHI 12 12 A 12 MET N A 12 MET CA A 12 MET C A 13 ASN N 1.0 -52.9 -6.1 PSI 13 13 A 12 MET C A 13 ASN N A 13 ASN CA A 13 ASN C 1.0 -125.2 -55.8 PHI 14 14 A 13 ASN N A 13 ASN CA A 13 ASN C A 14 ASP N 1.0 -45.1 27.7 PSI 15 15 A 15 GLY C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -68.4 -48.4 PHI 16 16 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 LEU N 1.0 -51.5 -14.4 PSI 17 17 A 16 ALA C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -75.4 -55.4 PHI 18 18 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 GLY N 1.0 -51.1 -28.6 PSI 19 19 A 17 LEU C A 18 GLY N A 18 GLY CA A 18 GLY C 1.0 -74.3 -54.3 PHI 20 20 A 18 GLY N A 18 GLY CA A 18 GLY C A 19 ALA N 1.0 -52.6 -27.9 PSI 21 21 A 18 GLY C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -72.4 -49.2 PHI 22 22 A 19 ALA N A 19 ALA CA A 19 ALA C A 20 LYS N 1.0 -55.9 -31.0 PSI 23 23 A 19 ALA C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -77.4 -55.2 PHI 24 24 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 VAL N 1.0 -62.5 -17.2 PSI 25 25 A 20 LYS C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -85.0 -55.9 PHI 26 26 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 ALA N 1.0 -58.0 -24.7 PSI 27 27 A 21 VAL C A 22 ALA N A 22 ALA CA A 22 ALA C 1.0 -70.9 -50.9 PHI 28 28 A 22 ALA N A 22 ALA CA A 22 ALA C A 23 GLN N 1.0 -55.8 -32.5 PSI 29 29 A 22 ALA C A 23 GLN N A 23 GLN CA A 23 GLN C 1.0 -73.1 -42.5 PHI 30 30 A 23 GLN N A 23 GLN CA A 23 GLN C A 24 ALA N 1.0 -60.3 -28.5 PSI 31 31 A 23 GLN C A 24 ALA N A 24 ALA CA A 24 ALA C 1.0 -74.4 -54.4 PHI 32 32 A 24 ALA N A 24 ALA CA A 24 ALA C A 25 ALA N 1.0 -55.7 -22.8 PSI 33 33 A 24 ALA C A 25 ALA N A 25 ALA CA A 25 ALA C 1.0 -73.5 -52.3 PHI 34 34 A 25 ALA N A 25 ALA CA A 25 ALA C A 26 CYS N 1.0 -57.6 -30.1 PSI 35 35 A 25 ALA C A 26 CYS N A 26 CYS CA A 26 CYS C 1.0 -74.0 -54.0 PHI 36 36 A 26 CYS N A 26 CYS CA A 26 CYS C A 27 ILE N 1.0 -54.6 -26.6 PSI 37 37 A 26 CYS C A 27 ILE N A 27 ILE CA A 27 ILE C 1.0 -72.1 -52.1 PHI 38 38 A 27 ILE N A 27 ILE CA A 27 ILE C A 28 SER N 1.0 -55.7 -30.7 PSI 39 39 A 27 ILE C A 28 SER N A 28 SER CA A 28 SER C 1.0 -70.3 -50.3 PHI 40 40 A 28 SER N A 28 SER CA A 28 SER C A 29 SER N 1.0 -51.4 -31.4 PSI 41 41 A 28 SER C A 29 SER N A 29 SER CA A 29 SER C 1.0 -76.5 -55.3 PHI 42 42 A 29 SER N A 29 SER CA A 29 SER C A 30 CYS N 1.0 -55.6 -33.1 PSI 43 43 A 29 SER C A 30 CYS N A 30 CYS CA A 30 CYS C 1.0 -76.0 -50.1 PHI 44 44 A 30 CYS N A 30 CYS CA A 30 CYS C A 31 LYS N 1.0 -55.4 -19.9 PSI 45 45 A 30 CYS C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -76.8 -49.2 PHI 46 46 A 31 LYS N A 31 LYS CA A 31 LYS C A 32 PHE N 1.0 -53.8 -22.4 PSI 47 47 A 31 LYS C A 32 PHE N A 32 PHE CA A 32 PHE C 1.0 -76.3 -52.2 PHI 48 48 A 32 PHE N A 32 PHE CA A 32 PHE C A 33 GLN N 1.0 -51.0 1.9 PSI 49 49 A 32 PHE C A 33 GLN N A 33 GLN CA A 33 GLN C 1.0 -112.3 -77.7 PHI 50 50 A 33 GLN N A 33 GLN CA A 33 GLN C A 34 ASN N 1.0 -14.1 26.9 PSI 51 51 A 33 GLN C A 34 ASN N A 34 ASN CA A 34 ASN C 1.0 50.0 70.0 PHI 52 52 A 34 ASN N A 34 ASN CA A 34 ASN C A 35 CYS N 1.0 19.9 49.1 PSI 53 53 A 38 GLY C A 39 HIS N A 39 HIS CA A 39 HIS C 1.0 -149.1 -77.1 PHI 54 54 A 39 HIS N A 39 HIS CA A 39 HIS C A 40 CYS N 1.0 123.5 171.1 PSI 55 55 A 39 HIS C A 40 CYS N A 40 CYS CA A 40 CYS C 1.0 -128.1 -82.7 PHI 56 56 A 40 CYS N A 40 CYS CA A 40 CYS C A 41 GLU N 1.0 99.2 167.2 PSI 57 57 A 40 CYS C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -147.5 -118.0 PHI 58 58 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 ARG N 1.0 130.0 169.1 PSI 59 59 A 41 GLU C A 42 ARG N A 42 ARG CA A 42 ARG C 1.0 -133.1 -48.5 PHI 60 60 A 42 ARG N A 42 ARG CA A 42 ARG C A 43 ARG N 1.0 106.3 157.0 PSI 61 61 A 42 ARG C A 43 ARG N A 43 ARG CA A 43 ARG C 1.0 -175.0 -69.6 PHI 62 62 A 43 ARG N A 43 ARG CA A 43 ARG C A 44 GLY N 1.0 96.2 151.8 PSI 63 63 A 43 ARG C A 44 GLY N A 44 GLY CA A 44 GLY C 1.0 41.0 61.0 PHI 64 64 A 44 GLY N A 44 GLY CA A 44 GLY C A 45 GLY N 1.0 31.9 53.4 PSI 65 65 A 44 GLY C A 45 GLY N A 45 GLY CA A 45 GLY C 1.0 60.6 96.3 PHI 66 66 A 45 GLY N A 45 GLY CA A 45 GLY C A 46 ARG N 1.0 -21.1 27.1 PSI 67 67 A 45 GLY C A 46 ARG N A 46 ARG CA A 46 ARG C 1.0 -148.6 -61.5 PHI 68 68 A 46 ARG N A 46 ARG CA A 46 ARG C A 47 PRO N 1.0 66.8 172.9 PSI 69 69 A 47 PRO C A 48 THR N A 48 THR CA A 48 THR C 1.0 -157.5 -58.8 PHI 70 70 A 48 THR N A 48 THR CA A 48 THR C A 49 CYS N 1.0 109.7 154.8 PSI 71 71 A 48 THR C A 49 CYS N A 49 CYS CA A 49 CYS C 1.0 -129.9 -59.5 PHI 72 72 A 49 CYS N A 49 CYS CA A 49 CYS C A 50 VAL N 1.0 93.7 147.6 PSI 73 73 A 49 CYS C A 50 VAL N A 50 VAL CA A 50 VAL C 1.0 -133.7 -75.9 PHI 74 74 A 50 VAL N A 50 VAL CA A 50 VAL C A 51 CYS N 1.0 107.0 146.5 PSI 75 75 A 51 CYS C A 52 SER N A 52 SER CA A 52 SER C 1.0 -168.8 -51.2 PHI 76 76 A 52 SER N A 52 SER CA A 52 SER C A 53 ARG N 1.0 138.4 204.7 PSI 77 77 A 52 SER C A 53 ARG N A 53 ARG CA A 53 ARG C 1.0 44.0 73.8 PHI 78 78 A 53 ARG N A 53 ARG CA A 53 ARG C A 54 CYS N 1.0 -8.4 84.4 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_7 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_7 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 3 ALA N A 3 ALA H 1.0 . . . 2 2 A 4 LEU N A 4 LEU H 1.0 . . . 3 3 A 5 ASP N A 5 ASP H 1.0 . . . 4 4 A 6 PHE N A 6 PHE H 1.0 . . . 5 5 A 7 THR N A 7 THR H 1.0 . . . 6 6 A 8 SER N A 8 SER H 1.0 . . . 7 7 A 9 CYS N A 9 CYS H 1.0 . . . 8 8 A 11 ARG N A 11 ARG H 1.0 . . . 9 9 A 12 MET N A 12 MET H 1.0 . . . 10 10 A 13 ASN N A 13 ASN H 1.0 . . . 11 11 A 14 ASP N A 14 ASP H 1.0 . . . 12 12 A 15 GLY N A 15 GLY H 1.0 . . . 13 13 A 16 ALA N A 16 ALA H 1.0 . . . 14 14 A 17 LEU N A 17 LEU H 1.0 . . . 15 15 A 18 GLY N A 18 GLY H 1.0 . . . 16 16 A 19 ALA N A 19 ALA H 1.0 . . . 17 17 A 20 LYS N A 20 LYS H 1.0 . . . 18 18 A 21 VAL N A 21 VAL H 1.0 . . . 19 19 A 22 ALA N A 22 ALA H 1.0 . . . 20 20 A 23 GLN N A 23 GLN H 1.0 . . . 21 21 A 24 ALA N A 24 ALA H 1.0 . . . 22 22 A 25 ALA N A 25 ALA H 1.0 . . . 23 23 A 26 CYS N A 26 CYS H 1.0 . . . 24 24 A 27 ILE N A 27 ILE H 1.0 . . . 25 25 A 28 SER N A 28 SER H 1.0 . . . 26 26 A 29 SER N A 29 SER H 1.0 . . . 27 27 A 30 CYS N A 30 CYS H 1.0 . . . 28 28 A 31 LYS N A 31 LYS H 1.0 . . . 29 29 A 32 PHE N A 32 PHE H 1.0 . . . 30 30 A 33 GLN N A 33 GLN H 1.0 . . . 31 31 A 34 ASN N A 34 ASN H 1.0 . . . 32 32 A 35 CYS N A 35 CYS H 1.0 . . . 33 33 A 36 GLY N A 36 GLY H 1.0 . . . 34 34 A 37 THR N A 37 THR H 1.0 . . . 35 35 A 38 GLY N A 38 GLY H 1.0 . . . 36 36 A 39 HIS N A 39 HIS H 1.0 . . . 37 37 A 40 CYS N A 40 CYS H 1.0 . . . 38 38 A 41 GLU N A 41 GLU H 1.0 . . . 39 39 A 42 ARG N A 42 ARG H 1.0 . . . 40 40 A 43 ARG N A 43 ARG H 1.0 . . . 41 41 A 44 GLY N A 44 GLY H 1.0 . . . 42 42 A 45 GLY N A 45 GLY H 1.0 . . . 43 43 A 46 ARG N A 46 ARG H 1.0 . . . 44 44 A 48 THR N A 48 THR H 1.0 . . . 45 45 A 49 CYS N A 49 CYS H 1.0 . . . 46 46 A 50 VAL N A 50 VAL H 1.0 . . . 47 47 A 51 CYS N A 51 CYS H 1.0 . . . 48 48 A 52 SER N A 52 SER H 1.0 . . . 49 49 A 53 ARG N A 53 ARG H 1.0 . . . 50 50 A 54 CYS N A 54 CYS H 1.0 . . . 51 51 A 55 GLY N A 55 GLY H 1.0 . . . 52 52 A 56 ASN N A 56 ASN H 1.0 . . . 53 53 A 57 GLY N A 57 GLY H 1.0 . . . 54 54 A 58 GLY N A 58 GLY H 1.0 . . . 55 55 A 59 GLY N A 59 GLY H 1.0 . . . 56 56 A 60 GLU N A 60 GLU H 1.0 . . . 57 57 A 61 TRP N A 61 TRP H 1.0 . . . 58 58 A 63 ASN N A 63 ASN H 1.0 . . . 59 59 A 64 LEU N A 64 LEU H 1.0 . . . 60 60 A 66 SER N A 66 SER H 1.0 . . . 61 61 A 67 ARG N A 67 ARG H 1.0 . . . stop_ save_