data_nef_c15811_2k4x save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 21 CYS SG 2 1 ZN ZN 1 24 CYS SG 2 1 ZN ZN 1 39 CYS SG 2 1 ZN ZN 1 42 CYS SG 2 1 ZN ZN stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 GLN middle . . 3 A 3 LYS middle . . 4 A 4 ARG middle . . 5 A 5 GLU middle . . 6 A 6 LEU middle . . 7 A 7 TYR middle . . 8 A 8 GLU middle . . 9 A 9 ILE middle . . 10 A 10 ALA middle . . 11 A 11 ASP middle . . 12 A 12 GLY middle . false 13 A 13 LYS middle . . 14 A 14 LEU middle . . 15 A 15 VAL middle . . 16 A 16 ARG middle . . 17 A 17 LYS middle . . 18 A 18 HIS middle . . 19 A 19 ARG middle . . 20 A 20 PHE middle . . 21 A 21 CYS middle -HG . 22 A 22 PRO middle . false 23 A 23 ARG middle . . 24 A 24 CYS middle -HG . 25 A 25 GLY middle . false 26 A 26 PRO middle . false 27 A 27 GLY middle . false 28 A 28 VAL middle . . 29 A 29 PHE middle . . 30 A 30 LEU middle . . 31 A 31 ALA middle . . 32 A 32 GLU middle . . 33 A 33 HIS middle . . 34 A 34 ALA middle . . 35 A 35 ASP middle . . 36 A 36 ARG middle . . 37 A 37 TYR middle . . 38 A 38 SER middle . . 39 A 39 CYS middle -HG . 40 A 40 GLY middle . false 41 A 41 ARG middle . . 42 A 42 CYS middle -HG . 43 A 43 GLY middle . false 44 A 44 TYR middle . . 45 A 45 THR middle . . 46 A 46 GLU middle . . 47 A 47 PHE middle . . 48 A 48 LYS middle . . 49 A 49 LYS middle . . 50 A 50 ALA middle . . 51 A 51 LYS middle . . 52 A 52 LYS middle . . 53 A 53 SER middle . . 54 A 54 LYS middle . . 55 A 55 SER end . . 56 B 1 ZN . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET H1 H 1 8.396 0.03 A 1 MET HA H 1 4.256 0.03 A 1 MET HBy H 1 2.026 0.03 A 1 MET HBx H 1 1.928 0.03 A 1 MET HE% H 1 2.021 0.03 A 1 MET HGx H 1 2.302 0.03 A 1 MET HGy H 1 2.302 0.03 A 1 MET C C 13 175.790 0.3 A 1 MET CA C 13 55.820 0.3 A 1 MET CB C 13 29.500 0.3 A 1 MET CE C 13 16.990 0.3 A 1 MET CG C 13 33.590 0.3 A 1 MET N N 15 122.134 0.3 A 2 GLN H H 1 8.326 0.03 A 2 GLN HA H 1 4.252 0.03 A 2 GLN CA C 13 55.970 0.3 A 2 GLN CB C 13 29.990 0.3 A 2 GLN N N 15 123.332 0.3 A 3 LYS HA H 1 4.229 0.03 A 3 LYS C C 13 176.404 0.3 A 3 LYS CA C 13 56.570 0.3 A 3 LYS CB C 13 32.880 0.3 A 4 ARG H H 1 8.303 0.03 A 4 ARG HA H 1 4.237 0.03 A 4 ARG HBy H 1 1.746 0.03 A 4 ARG HBx H 1 1.685 0.03 A 4 ARG HDx H 1 3.101 0.03 A 4 ARG HDy H 1 3.101 0.03 A 4 ARG HGx H 1 1.544 0.03 A 4 ARG HGy H 1 1.544 0.03 A 4 ARG C C 13 176.656 0.3 A 4 ARG CA C 13 56.420 0.3 A 4 ARG CB C 13 30.910 0.3 A 4 ARG CD C 13 43.560 0.3 A 4 ARG CG C 13 26.960 0.3 A 4 ARG N N 15 122.770 0.3 A 5 GLU H H 1 8.472 0.03 A 5 GLU HA H 1 4.201 0.03 A 5 GLU HBy H 1 1.906 0.03 A 5 GLU HBx H 1 1.804 0.03 A 5 GLU HGx H 1 2.174 0.03 A 5 GLU HGy H 1 2.174 0.03 A 5 GLU C C 13 176.137 0.3 A 5 GLU CA C 13 56.650 0.3 A 5 GLU CB C 13 30.400 0.3 A 5 GLU CG C 13 36.190 0.3 A 5 GLU N N 15 121.724 0.3 A 6 LEU H H 1 8.127 0.03 A 6 LEU HA H 1 4.200 0.03 A 6 LEU HBy H 1 1.493 0.03 A 6 LEU HBx H 1 1.353 0.03 A 6 LEU HDx% H 1 0.811 0.03 A 6 LEU HDy% H 1 0.737 0.03 A 6 LEU HG H 1 1.458 0.03 A 6 LEU C C 13 176.782 0.3 A 6 LEU CA C 13 55.200 0.3 A 6 LEU CB C 13 42.520 0.3 A 6 LEU CD1 C 13 24.990 0.3 A 6 LEU CD2 C 13 23.480 0.3 A 6 LEU CG C 13 26.900 0.3 A 6 LEU N N 15 122.169 0.3 A 7 TYR H H 1 7.943 0.03 A 7 TYR HA H 1 4.636 0.03 A 7 TYR HBy H 1 2.953 0.03 A 7 TYR HBx H 1 2.838 0.03 A 7 TYR HD1 H 1 6.988 0.03 A 7 TYR HD2 H 1 6.988 0.03 A 7 TYR HE1 H 1 6.725 0.03 A 7 TYR HE2 H 1 6.725 0.03 A 7 TYR C C 13 175.350 0.3 A 7 TYR CA C 13 57.420 0.3 A 7 TYR CB C 13 39.370 0.3 A 7 TYR CD1 C 13 132.862 0.3 A 7 TYR CE1 C 13 118.369 0.3 A 7 TYR N N 15 119.193 0.3 A 8 GLU H H 1 8.314 0.03 A 8 GLU HA H 1 4.314 0.03 A 8 GLU HBy H 1 1.913 0.03 A 8 GLU HBx H 1 1.845 0.03 A 8 GLU HGx H 1 2.092 0.03 A 8 GLU HGy H 1 2.092 0.03 A 8 GLU C C 13 175.665 0.3 A 8 GLU CA C 13 55.880 0.3 A 8 GLU CB C 13 31.100 0.3 A 8 GLU CG C 13 36.150 0.3 A 8 GLU N N 15 121.754 0.3 A 9 ILE H H 1 8.116 0.03 A 9 ILE HA H 1 4.204 0.03 A 9 ILE HB H 1 1.767 0.03 A 9 ILE HD1% H 1 0.770 0.03 A 9 ILE HG1y H 1 1.416 0.03 A 9 ILE HG1x H 1 1.090 0.03 A 9 ILE HG2% H 1 0.805 0.03 A 9 ILE C C 13 176.058 0.3 A 9 ILE CA C 13 60.640 0.3 A 9 ILE CB C 13 38.440 0.3 A 9 ILE CD1 C 13 12.860 0.3 A 9 ILE CG1 C 13 27.380 0.3 A 9 ILE CG2 C 13 17.460 0.3 A 9 ILE N N 15 121.966 0.3 A 10 ALA H H 1 8.472 0.03 A 10 ALA HA H 1 4.342 0.03 A 10 ALA HB% H 1 1.301 0.03 A 10 ALA C C 13 177.286 0.3 A 10 ALA CA C 13 52.450 0.3 A 10 ALA CB C 13 19.420 0.3 A 10 ALA N N 15 128.558 0.3 A 11 ASP H H 1 8.423 0.03 A 11 ASP HA H 1 4.423 0.03 A 11 ASP HBy H 1 2.688 0.03 A 11 ASP HBx H 1 2.593 0.03 A 11 ASP C C 13 176.798 0.3 A 11 ASP CA C 13 54.780 0.3 A 11 ASP CB C 13 40.900 0.3 A 11 ASP N N 15 120.945 0.3 A 12 GLY H H 1 8.263 0.03 A 12 GLY HAy H 1 3.928 0.03 A 12 GLY HAx H 1 3.765 0.03 A 12 GLY C C 13 174.326 0.3 A 12 GLY CA C 13 45.630 0.3 A 12 GLY N N 15 107.572 0.3 A 13 LYS H H 1 7.974 0.03 A 13 LYS HA H 1 4.286 0.03 A 13 LYS HBx H 1 1.759 0.03 A 13 LYS HBy H 1 1.759 0.03 A 13 LYS HDx H 1 1.617 0.03 A 13 LYS HDy H 1 1.617 0.03 A 13 LYS HEx H 1 2.931 0.03 A 13 LYS HEy H 1 2.931 0.03 A 13 LYS HGx H 1 1.384 0.03 A 13 LYS HGy H 1 1.384 0.03 A 13 LYS C C 13 176.105 0.3 A 13 LYS CA C 13 55.970 0.3 A 13 LYS CB C 13 33.000 0.3 A 13 LYS CD C 13 28.890 0.3 A 13 LYS CE C 13 42.460 0.3 A 13 LYS CG C 13 24.640 0.3 A 13 LYS N N 15 120.339 0.3 A 14 LEU H H 1 8.103 0.03 A 14 LEU HA H 1 4.355 0.03 A 14 LEU HBy H 1 1.546 0.03 A 14 LEU HBx H 1 1.465 0.03 A 14 LEU HDx% H 1 0.801 0.03 A 14 LEU HDy% H 1 0.730 0.03 A 14 LEU HG H 1 1.424 0.03 A 14 LEU C C 13 177.050 0.3 A 14 LEU CA C 13 54.990 0.3 A 14 LEU CB C 13 42.180 0.3 A 14 LEU CD1 C 13 24.720 0.3 A 14 LEU CD2 C 13 23.940 0.3 A 14 LEU CG C 13 27.330 0.3 A 14 LEU N N 15 122.169 0.3 A 15 VAL H H 1 8.236 0.03 A 15 VAL HA H 1 4.090 0.03 A 15 VAL HB H 1 1.969 0.03 A 15 VAL HGx% H 1 0.845 0.03 A 15 VAL HGy% H 1 0.845 0.03 A 15 VAL C C 13 175.680 0.3 A 15 VAL CA C 13 62.000 0.3 A 15 VAL CB C 13 33.050 0.3 A 15 VAL CG1 C 13 20.660 0.3 A 15 VAL N N 15 122.264 0.3 A 16 ARG H H 1 8.293 0.03 A 16 ARG HA H 1 4.187 0.03 A 16 ARG HBy H 1 1.659 0.03 A 16 ARG HBx H 1 1.590 0.03 A 16 ARG HDx H 1 3.038 0.03 A 16 ARG HDy H 1 3.038 0.03 A 16 ARG HGx H 1 1.446 0.03 A 16 ARG HGy H 1 1.446 0.03 A 16 ARG C C 13 175.822 0.3 A 16 ARG CA C 13 55.820 0.3 A 16 ARG CB C 13 30.820 0.3 A 16 ARG CD C 13 43.470 0.3 A 16 ARG CG C 13 27.360 0.3 A 16 ARG N N 15 124.903 0.3 A 17 LYS H H 1 8.239 0.03 A 17 LYS HA H 1 4.130 0.03 A 17 LYS HBy H 1 1.560 0.03 A 17 LYS HBx H 1 1.486 0.03 A 17 LYS HDx H 1 1.525 0.03 A 17 LYS HDy H 1 1.525 0.03 A 17 LYS HEx H 1 2.852 0.03 A 17 LYS HEy H 1 2.852 0.03 A 17 LYS HGy H 1 1.217 0.03 A 17 LYS HGx H 1 1.158 0.03 A 17 LYS C C 13 175.995 0.3 A 17 LYS CA C 13 56.270 0.3 A 17 LYS CB C 13 33.130 0.3 A 17 LYS CD C 13 29.370 0.3 A 17 LYS CE C 13 41.870 0.3 A 17 LYS CG C 13 24.680 0.3 A 17 LYS N N 15 123.108 0.3 A 18 HIS H H 1 8.067 0.03 A 18 HIS HA H 1 4.572 0.03 A 18 HIS HBy H 1 2.823 0.03 A 18 HIS HBx H 1 2.636 0.03 A 18 HIS C C 13 174.736 0.3 A 18 HIS CA C 13 55.460 0.3 A 18 HIS CB C 13 31.390 0.3 A 18 HIS N N 15 120.275 0.3 A 19 ARG H H 1 8.767 0.03 A 19 ARG HA H 1 4.254 0.03 A 19 ARG HBy H 1 1.558 0.03 A 19 ARG HBx H 1 1.383 0.03 A 19 ARG HDy H 1 2.595 0.03 A 19 ARG HDx H 1 2.478 0.03 A 19 ARG HGy H 1 1.333 0.03 A 19 ARG HGx H 1 1.279 0.03 A 19 ARG C C 13 175.790 0.3 A 19 ARG CA C 13 55.480 0.3 A 19 ARG CB C 13 32.050 0.3 A 19 ARG CD C 13 42.940 0.3 A 19 ARG CG C 13 26.570 0.3 A 19 ARG N N 15 122.186 0.3 A 20 PHE H H 1 7.866 0.03 A 20 PHE HA H 1 5.296 0.03 A 20 PHE HBy H 1 2.923 0.03 A 20 PHE HBx H 1 2.693 0.03 A 20 PHE HD1 H 1 6.902 0.03 A 20 PHE HD2 H 1 6.902 0.03 A 20 PHE HE1 H 1 7.066 0.03 A 20 PHE HE2 H 1 7.066 0.03 A 20 PHE HZ H 1 7.193 0.03 A 20 PHE C C 13 174.673 0.3 A 20 PHE CA C 13 54.520 0.3 A 20 PHE CB C 13 40.050 0.3 A 20 PHE CD1 C 13 132.481 0.3 A 20 PHE CE1 C 13 130.130 0.3 A 20 PHE CZ C 13 130.130 0.3 A 20 PHE N N 15 120.369 0.3 A 21 CYS H H 1 8.557 0.03 A 21 CYS HA H 1 4.062 0.03 A 21 CYS HBy H 1 2.832 0.03 A 21 CYS HBx H 1 2.785 0.03 A 21 CYS CA C 13 56.880 0.3 A 21 CYS CB C 13 30.710 0.3 A 21 CYS N N 15 123.994 0.3 A 22 PRO HA H 1 4.211 0.03 A 22 PRO HBy H 1 2.056 0.03 A 22 PRO HBx H 1 1.601 0.03 A 22 PRO HDy H 1 3.443 0.03 A 22 PRO HDx H 1 3.087 0.03 A 22 PRO HGy H 1 1.561 0.03 A 22 PRO HGx H 1 1.153 0.03 A 22 PRO C C 13 177.475 0.3 A 22 PRO CA C 13 64.260 0.3 A 22 PRO CB C 13 31.730 0.3 A 22 PRO CD C 13 50.550 0.3 A 22 PRO CG C 13 26.720 0.3 A 23 ARG H H 1 8.569 0.03 A 23 ARG HA H 1 4.223 0.03 A 23 ARG HBy H 1 2.091 0.03 A 23 ARG HBx H 1 1.898 0.03 A 23 ARG HDy H 1 3.277 0.03 A 23 ARG HDx H 1 3.228 0.03 A 23 ARG HGy H 1 1.475 0.03 A 23 ARG HGx H 1 1.398 0.03 A 23 ARG C C 13 178.246 0.3 A 23 ARG CA C 13 58.030 0.3 A 23 ARG CB C 13 31.240 0.3 A 23 ARG CD C 13 43.920 0.3 A 23 ARG CG C 13 27.140 0.3 A 23 ARG N N 15 121.075 0.3 A 24 CYS H H 1 9.550 0.03 A 24 CYS HA H 1 3.872 0.03 A 24 CYS HBy H 1 2.911 0.03 A 24 CYS HBx H 1 2.709 0.03 A 24 CYS C C 13 177.302 0.3 A 24 CYS CA C 13 63.060 0.3 A 24 CYS CB C 13 30.120 0.3 A 24 CYS N N 15 123.692 0.3 A 25 GLY H H 1 8.166 0.03 A 25 GLY HAy H 1 4.142 0.03 A 25 GLY HAx H 1 3.623 0.03 A 25 GLY CA C 13 44.640 0.3 A 25 GLY N N 15 107.593 0.3 A 26 PRO HA H 1 2.807 0.03 A 26 PRO HBy H 1 1.533 0.03 A 26 PRO HBx H 1 1.376 0.03 A 26 PRO HDy H 1 3.265 0.03 A 26 PRO HDx H 1 3.144 0.03 A 26 PRO HGy H 1 1.687 0.03 A 26 PRO HGx H 1 1.265 0.03 A 26 PRO C C 13 176.940 0.3 A 26 PRO CA C 13 63.060 0.3 A 26 PRO CB C 13 31.650 0.3 A 26 PRO CD C 13 49.300 0.3 A 26 PRO CG C 13 26.900 0.3 A 27 GLY H H 1 6.847 0.03 A 27 GLY HAy H 1 3.800 0.03 A 27 GLY HAx H 1 3.334 0.03 A 27 GLY C C 13 172.705 0.3 A 27 GLY CA C 13 44.400 0.3 A 27 GLY N N 15 108.726 0.3 A 28 VAL H H 1 7.416 0.03 A 28 VAL HA H 1 3.964 0.03 A 28 VAL HB H 1 2.013 0.03 A 28 VAL HGx% H 1 0.959 0.03 A 28 VAL HGy% H 1 0.587 0.03 A 28 VAL C C 13 174.626 0.3 A 28 VAL CA C 13 62.040 0.3 A 28 VAL CB C 13 32.080 0.3 A 28 VAL CG1 C 13 23.130 0.3 A 28 VAL CG2 C 13 20.870 0.3 A 28 VAL N N 15 123.159 0.3 A 29 PHE H H 1 8.484 0.03 A 29 PHE HA H 1 4.905 0.03 A 29 PHE HBy H 1 3.056 0.03 A 29 PHE HBx H 1 2.816 0.03 A 29 PHE HD1 H 1 7.060 0.03 A 29 PHE HD2 H 1 7.060 0.03 A 29 PHE HE1 H 1 7.196 0.03 A 29 PHE HE2 H 1 7.196 0.03 A 29 PHE HZ H 1 7.206 0.03 A 29 PHE C C 13 177.349 0.3 A 29 PHE CA C 13 57.800 0.3 A 29 PHE CB C 13 40.050 0.3 A 29 PHE CD1 C 13 131.465 0.3 A 29 PHE CE1 C 13 131.505 0.3 A 29 PHE CZ C 13 129.711 0.3 A 29 PHE N N 15 124.513 0.3 A 30 LEU H H 1 8.615 0.03 A 30 LEU HA H 1 4.425 0.03 A 30 LEU HBy H 1 1.679 0.03 A 30 LEU HBx H 1 1.352 0.03 A 30 LEU HDx% H 1 0.647 0.03 A 30 LEU HDy% H 1 0.861 0.03 A 30 LEU HG H 1 1.364 0.03 A 30 LEU C C 13 176.877 0.3 A 30 LEU CA C 13 54.180 0.3 A 30 LEU CB C 13 42.470 0.3 A 30 LEU CD1 C 13 25.530 0.3 A 30 LEU CD2 C 13 23.800 0.3 A 30 LEU CG C 13 26.310 0.3 A 30 LEU N N 15 120.729 0.3 A 31 ALA H H 1 9.109 0.03 A 31 ALA HA H 1 4.502 0.03 A 31 ALA HB% H 1 1.360 0.03 A 31 ALA C C 13 176.231 0.3 A 31 ALA CA C 13 51.170 0.3 A 31 ALA CB C 13 20.140 0.3 A 31 ALA N N 15 126.827 0.3 A 32 GLU H H 1 8.580 0.03 A 32 GLU HA H 1 4.172 0.03 A 32 GLU HBy H 1 1.865 0.03 A 32 GLU HBx H 1 1.778 0.03 A 32 GLU HGy H 1 1.997 0.03 A 32 GLU HGx H 1 1.507 0.03 A 32 GLU C C 13 174.736 0.3 A 32 GLU CA C 13 56.140 0.3 A 32 GLU CB C 13 30.540 0.3 A 32 GLU CG C 13 36.060 0.3 A 32 GLU N N 15 122.632 0.3 A 33 HIS H H 1 8.596 0.03 A 33 HIS HA H 1 4.816 0.03 A 33 HIS HBy H 1 3.372 0.03 A 33 HIS HBx H 1 2.788 0.03 A 33 HIS HD2 H 1 6.541 0.03 A 33 HIS CA C 13 53.900 0.3 A 33 HIS CB C 13 33.160 0.3 A 33 HIS CD2 C 13 120.538 0.3 A 33 HIS N N 15 126.719 0.3 A 34 ALA HA H 1 4.011 0.03 A 34 ALA HB% H 1 1.399 0.03 A 34 ALA C C 13 178.514 0.3 A 34 ALA CA C 13 55.850 0.3 A 34 ALA CB C 13 18.060 0.3 A 35 ASP H H 1 8.241 0.03 A 35 ASP HA H 1 4.737 0.03 A 35 ASP HBy H 1 3.044 0.03 A 35 ASP HBx H 1 2.601 0.03 A 35 ASP C C 13 177.003 0.3 A 35 ASP CA C 13 53.040 0.3 A 35 ASP CB C 13 41.840 0.3 A 35 ASP N N 15 108.393 0.3 A 36 ARG H H 1 7.175 0.03 A 36 ARG HA H 1 4.940 0.03 A 36 ARG HBy H 1 1.446 0.03 A 36 ARG HBx H 1 1.060 0.03 A 36 ARG HDx H 1 2.598 0.03 A 36 ARG HDy H 1 2.598 0.03 A 36 ARG HGy H 1 1.366 0.03 A 36 ARG HGx H 1 0.893 0.03 A 36 ARG C C 13 171.430 0.3 A 36 ARG CA C 13 54.670 0.3 A 36 ARG CB C 13 31.550 0.3 A 36 ARG CD C 13 42.640 0.3 A 36 ARG CG C 13 24.970 0.3 A 36 ARG N N 15 116.403 0.3 A 37 TYR H H 1 9.025 0.03 A 37 TYR HA H 1 5.546 0.03 A 37 TYR HBy H 1 2.870 0.03 A 37 TYR HBx H 1 2.618 0.03 A 37 TYR HD1 H 1 6.835 0.03 A 37 TYR HD2 H 1 6.835 0.03 A 37 TYR HE1 H 1 6.699 0.03 A 37 TYR HE2 H 1 6.699 0.03 A 37 TYR C C 13 176.027 0.3 A 37 TYR CA C 13 56.400 0.3 A 37 TYR CB C 13 41.830 0.3 A 37 TYR CD1 C 13 133.358 0.3 A 37 TYR CE1 C 13 117.931 0.3 A 37 TYR N N 15 118.099 0.3 A 38 SER H H 1 9.208 0.03 A 38 SER HA H 1 5.675 0.03 A 38 SER HBy H 1 3.611 0.03 A 38 SER HBx H 1 3.558 0.03 A 38 SER C C 13 172.862 0.3 A 38 SER CA C 13 57.200 0.3 A 38 SER CB C 13 67.430 0.3 A 38 SER N N 15 114.608 0.3 A 39 CYS H H 1 9.403 0.03 A 39 CYS HA H 1 4.781 0.03 A 39 CYS HBy H 1 3.318 0.03 A 39 CYS HBx H 1 2.840 0.03 A 39 CYS C C 13 177.931 0.3 A 39 CYS CA C 13 58.680 0.3 A 39 CYS CB C 13 32.710 0.3 A 39 CYS N N 15 127.346 0.3 A 40 GLY H H 1 9.147 0.03 A 40 GLY HAy H 1 4.053 0.03 A 40 GLY HAx H 1 3.875 0.03 A 40 GLY C C 13 173.602 0.3 A 40 GLY CA C 13 46.270 0.3 A 40 GLY N N 15 119.366 0.3 A 41 ARG H H 1 9.279 0.03 A 41 ARG HA H 1 4.362 0.03 A 41 ARG HBy H 1 2.053 0.03 A 41 ARG HBx H 1 1.902 0.03 A 41 ARG HDy H 1 3.277 0.03 A 41 ARG HDx H 1 3.218 0.03 A 41 ARG HGy H 1 1.616 0.03 A 41 ARG HGx H 1 1.521 0.03 A 41 ARG C C 13 177.601 0.3 A 41 ARG CA C 13 58.200 0.3 A 41 ARG CB C 13 30.980 0.3 A 41 ARG CD C 13 43.310 0.3 A 41 ARG CG C 13 27.370 0.3 A 41 ARG N N 15 123.467 0.3 A 42 CYS H H 1 8.759 0.03 A 42 CYS HA H 1 4.944 0.03 A 42 CYS HBy H 1 3.203 0.03 A 42 CYS HBx H 1 2.368 0.03 A 42 CYS C C 13 177.160 0.3 A 42 CYS CA C 13 58.390 0.3 A 42 CYS CB C 13 33.600 0.3 A 42 CYS N N 15 118.328 0.3 A 43 GLY H H 1 7.686 0.03 A 43 GLY HAy H 1 4.251 0.03 A 43 GLY HAx H 1 3.782 0.03 A 43 GLY C C 13 174.122 0.3 A 43 GLY CA C 13 46.100 0.3 A 43 GLY N N 15 112.843 0.3 A 44 TYR H H 1 9.285 0.03 A 44 TYR HA H 1 4.109 0.03 A 44 TYR HBy H 1 3.133 0.03 A 44 TYR HBx H 1 2.851 0.03 A 44 TYR HD1 H 1 6.852 0.03 A 44 TYR HD2 H 1 6.852 0.03 A 44 TYR HE1 H 1 6.600 0.03 A 44 TYR HE2 H 1 6.600 0.03 A 44 TYR C C 13 174.248 0.3 A 44 TYR CA C 13 60.680 0.3 A 44 TYR CB C 13 39.840 0.3 A 44 TYR CD1 C 13 132.920 0.3 A 44 TYR CE1 C 13 117.791 0.3 A 44 TYR N N 15 127.411 0.3 A 45 THR H H 1 7.572 0.03 A 45 THR HA H 1 4.763 0.03 A 45 THR HB H 1 3.543 0.03 A 45 THR HG2% H 1 0.489 0.03 A 45 THR C C 13 171.635 0.3 A 45 THR CA C 13 60.820 0.3 A 45 THR CB C 13 72.660 0.3 A 45 THR CG2 C 13 21.050 0.3 A 45 THR N N 15 122.481 0.3 A 46 GLU H H 1 8.456 0.03 A 46 GLU HA H 1 4.430 0.03 A 46 GLU HBx H 1 1.897 0.03 A 46 GLU HBy H 1 1.897 0.03 A 46 GLU HGy H 1 2.282 0.03 A 46 GLU HGx H 1 2.102 0.03 A 46 GLU C C 13 175.240 0.3 A 46 GLU CA C 13 54.100 0.3 A 46 GLU CB C 13 33.180 0.3 A 46 GLU CG C 13 35.880 0.3 A 46 GLU N N 15 124.924 0.3 A 47 PHE H H 1 9.084 0.03 A 47 PHE HA H 1 4.417 0.03 A 47 PHE HBy H 1 3.198 0.03 A 47 PHE HBx H 1 2.848 0.03 A 47 PHE HD1 H 1 7.270 0.03 A 47 PHE HD2 H 1 7.270 0.03 A 47 PHE C C 13 176.987 0.3 A 47 PHE CA C 13 59.920 0.3 A 47 PHE CB C 13 39.420 0.3 A 47 PHE CD1 C 13 131.247 0.3 A 47 PHE N N 15 125.357 0.3 A 48 LYS H H 1 8.082 0.03 A 48 LYS HA H 1 4.233 0.03 A 48 LYS HBy H 1 1.899 0.03 A 48 LYS HBx H 1 1.388 0.03 A 48 LYS HDy H 1 1.560 0.03 A 48 LYS HDx H 1 1.348 0.03 A 48 LYS HEy H 1 2.602 0.03 A 48 LYS HEx H 1 2.167 0.03 A 48 LYS HGy H 1 1.384 0.03 A 48 LYS HGx H 1 0.849 0.03 A 48 LYS C C 13 176.278 0.3 A 48 LYS CA C 13 57.670 0.3 A 48 LYS CB C 13 33.900 0.3 A 48 LYS CD C 13 30.220 0.3 A 48 LYS CE C 13 41.420 0.3 A 48 LYS CG C 13 26.850 0.3 A 48 LYS N N 15 122.654 0.3 A 49 LYS H H 1 8.475 0.03 A 49 LYS HA H 1 4.299 0.03 A 49 LYS HBy H 1 1.802 0.03 A 49 LYS HBx H 1 1.695 0.03 A 49 LYS HDx H 1 1.632 0.03 A 49 LYS HDy H 1 1.632 0.03 A 49 LYS HEx H 1 2.945 0.03 A 49 LYS HEy H 1 2.945 0.03 A 49 LYS HGy H 1 1.391 0.03 A 49 LYS HGx H 1 1.343 0.03 A 49 LYS C C 13 175.979 0.3 A 49 LYS CA C 13 56.100 0.3 A 49 LYS CB C 13 33.090 0.3 A 49 LYS CD C 13 29.250 0.3 A 49 LYS CE C 13 42.040 0.3 A 49 LYS CG C 13 24.900 0.3 A 49 LYS N N 15 121.521 0.3 A 50 ALA H H 1 8.250 0.03 A 50 ALA HA H 1 4.264 0.03 A 50 ALA HB% H 1 1.343 0.03 A 50 ALA C C 13 177.617 0.3 A 50 ALA CA C 13 52.490 0.3 A 50 ALA CB C 13 19.420 0.3 A 50 ALA N N 15 125.681 0.3 A 51 LYS H H 1 8.279 0.03 A 51 LYS HA H 1 4.296 0.03 A 51 LYS HBx H 1 1.713 0.03 A 51 LYS HBy H 1 1.713 0.03 A 51 LYS HEx H 1 2.931 0.03 A 51 LYS HEy H 1 2.931 0.03 A 51 LYS HGx H 1 1.378 0.03 A 51 LYS HGy H 1 1.378 0.03 A 51 LYS C C 13 176.562 0.3 A 51 LYS CA C 13 56.300 0.3 A 51 LYS CB C 13 33.090 0.3 A 51 LYS CD C 13 29.580 0.3 A 51 LYS CE C 13 42.070 0.3 A 51 LYS CG C 13 24.720 0.3 A 51 LYS N N 15 121.304 0.3 A 52 LYS H H 1 8.312 0.03 A 52 LYS HA H 1 4.298 0.03 A 52 LYS HBx H 1 1.727 0.03 A 52 LYS HBy H 1 1.727 0.03 A 52 LYS HEx H 1 2.923 0.03 A 52 LYS HEy H 1 2.923 0.03 A 52 LYS C C 13 176.530 0.3 A 52 LYS CA C 13 56.140 0.3 A 52 LYS CB C 13 33.180 0.3 A 52 LYS CE C 13 42.070 0.3 A 52 LYS CG C 13 24.770 0.3 A 52 LYS N N 15 123.129 0.3 A 53 SER H H 1 8.309 0.03 A 53 SER HA H 1 4.399 0.03 A 53 SER HBy H 1 3.829 0.03 A 53 SER HBx H 1 3.797 0.03 A 53 SER C C 13 174.531 0.3 A 53 SER CA C 13 58.140 0.3 A 53 SER CB C 13 63.780 0.3 A 53 SER N N 15 117.625 0.3 A 54 LYS H H 1 8.409 0.03 A 54 LYS HA H 1 4.338 0.03 A 54 LYS HBx H 1 1.767 0.03 A 54 LYS HBy H 1 1.767 0.03 A 54 LYS HEx H 1 2.937 0.03 A 54 LYS HEy H 1 2.937 0.03 A 54 LYS CA C 13 56.650 0.3 A 54 LYS CB C 13 32.920 0.3 A 54 LYS CE C 13 42.070 0.3 A 54 LYS N N 15 123.196 0.3 A 55 SER H H 1 8.323 0.03 A 55 SER HA H 1 4.419 0.03 A 55 SER HBx H 1 3.827 0.03 A 55 SER HBy H 1 3.827 0.03 A 55 SER CA C 13 58.480 0.3 A 55 SER CB C 13 64.168 0.3 A 55 SER N N 15 116.817 0.3 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 1 MET HE% A 1 MET HGx 1.0 1.8 5.0 2 1 A 1 MET HGy A 1 MET HE% 1.0 1.8 5.0 3 2 A 4 ARG HA A 4 ARG HDx 1.0 1.8 5.0 4 2 A 4 ARG HA A 4 ARG HDy 1.0 1.8 5.0 5 3 A 4 ARG HGy A 4 ARG HBy 1.0 1.8 3.5 6 3 A 4 ARG HBy A 4 ARG HGx 1.0 1.8 3.5 7 4 A 4 ARG HGy A 4 ARG HBx 1.0 1.8 3.5 8 4 A 4 ARG HBx A 4 ARG HGx 1.0 1.8 3.5 9 5 A 4 ARG H A 4 ARG HDx 1.0 1.8 6.0 10 5 A 4 ARG HDy A 4 ARG H 1.0 1.8 6.0 11 6 A 4 ARG HA A 4 ARG HGx 1.0 1.8 5.0 12 6 A 4 ARG HA A 4 ARG HGy 1.0 1.8 5.0 13 7 A 5 GLU HA A 5 GLU HGx 1.0 1.8 5.0 14 7 A 5 GLU HA A 5 GLU HGy 1.0 1.8 5.0 15 8 A 6 LEU HA A 6 LEU HG 1.0 1.8 5.0 16 9 A 6 LEU HA A 6 LEU HDx% 1.0 1.8 5.0 17 10 A 6 LEU HBy A 6 LEU HDx% 1.0 1.8 5.0 18 11 A 6 LEU HBx A 6 LEU HDx% 1.0 1.8 5.0 19 12 A 6 LEU HA A 6 LEU HDy% 1.0 1.8 5.0 20 13 A 6 LEU HBy A 6 LEU HDy% 1.0 1.8 5.0 21 14 A 6 LEU HDy% A 6 LEU HBx 1.0 1.8 5.0 22 15 A 8 GLU H A 8 GLU HGx 1.0 1.8 5.0 23 15 A 8 GLU H A 8 GLU HGy 1.0 1.8 5.0 24 16 A 8 GLU HA A 8 GLU HGx 1.0 1.8 5.0 25 16 A 8 GLU HGy A 8 GLU HA 1.0 1.8 5.0 26 17 A 9 ILE HB A 9 ILE HD1% 1.0 1.8 5.0 27 18 A 9 ILE H A 9 ILE HG1y 1.0 1.8 5.0 28 19 A 14 LEU H A 14 LEU HG 1.0 1.8 5.0 29 20 A 9 ILE HG2% A 9 ILE HG1y 1.0 1.8 5.0 30 21 A 9 ILE H A 9 ILE HG1x 1.0 1.8 5.0 31 22 A 9 ILE HG2% A 9 ILE HG1x 1.0 1.8 5.0 32 23 A 9 ILE HD1% A 9 ILE HA 1.0 1.8 5.0 33 24 A 9 ILE HG2% A 9 ILE HA 1.0 1.8 5.0 34 25 A 9 ILE HD1% A 9 ILE HG2% 1.0 1.8 2.7 35 26 A 10 ALA HB% A 11 ASP H 1.0 1.8 6.0 36 27 A 13 LYS HA A 13 LYS HGx 1.0 1.8 5.0 37 27 A 13 LYS HA A 13 LYS HGy 1.0 1.8 5.0 38 28 A 13 LYS HBy A 13 LYS HDx 1.0 1.8 3.5 39 28 A 13 LYS HBx A 13 LYS HDx 1.0 1.8 3.5 40 28 A 13 LYS HDy A 13 LYS HBx 1.0 1.8 3.5 41 28 A 13 LYS HBy A 13 LYS HDy 1.0 1.8 3.5 42 29 A 13 LYS HBx A 13 LYS HGx 1.0 1.8 3.5 43 29 A 13 LYS HBy A 13 LYS HGx 1.0 1.8 3.5 44 29 A 13 LYS HGy A 13 LYS HBx 1.0 1.8 3.5 45 29 A 13 LYS HGy A 13 LYS HBy 1.0 1.8 3.5 46 30 A 13 LYS HA A 13 LYS HDx 1.0 1.8 5.0 47 30 A 13 LYS HA A 13 LYS HDy 1.0 1.8 5.0 48 31 A 13 LYS HBy A 13 LYS HEx 1.0 1.8 6.0 49 31 A 13 LYS HEy A 13 LYS HBx 1.0 1.8 6.0 50 31 A 13 LYS HBy A 13 LYS HEy 1.0 1.8 6.0 51 31 A 13 LYS HBx A 13 LYS HEx 1.0 1.8 6.0 52 32 A 13 LYS HDy A 13 LYS HGx 1.0 1.8 2.7 53 32 A 13 LYS HDx A 13 LYS HGx 1.0 1.8 2.7 54 32 A 13 LYS HGy A 13 LYS HDx 1.0 1.8 2.7 55 32 A 13 LYS HGy A 13 LYS HDy 1.0 1.8 2.7 56 33 A 14 LEU HA A 14 LEU HDx% 1.0 1.8 5.0 57 34 A 14 LEU HA A 14 LEU HDy% 1.0 1.8 5.0 58 35 A 14 LEU HG A 15 VAL H 1.0 1.8 6.0 59 36 A 17 LYS H A 16 ARG HGx 1.0 1.8 6.0 60 36 A 16 ARG HGy A 17 LYS H 1.0 1.8 6.0 61 37 A 15 VAL HA A 15 VAL HGx% 1.0 1.8 5.0 62 37 A 15 VAL HA A 15 VAL HGy% 1.0 1.8 5.0 63 38 A 16 ARG H A 15 VAL HGx% 1.0 1.8 5.0 64 38 A 15 VAL HGy% A 16 ARG H 1.0 1.8 5.0 65 39 A 16 ARG HA A 16 ARG HDx 1.0 1.8 5.0 66 39 A 16 ARG HA A 16 ARG HDy 1.0 1.8 5.0 67 40 A 16 ARG HA A 16 ARG HGx 1.0 1.8 3.5 68 40 A 16 ARG HGy A 16 ARG HA 1.0 1.8 3.5 69 41 A 16 ARG HDy A 16 ARG HBy 1.0 1.8 5.0 70 41 A 16 ARG HBy A 16 ARG HDx 1.0 1.8 5.0 71 42 A 16 ARG HDy A 16 ARG HBx 1.0 1.8 5.0 72 42 A 16 ARG HBx A 16 ARG HDx 1.0 1.8 5.0 73 43 A 17 LYS HA A 17 LYS HDx 1.0 1.8 5.0 74 43 A 17 LYS HA A 17 LYS HDy 1.0 1.8 5.0 75 44 A 17 LYS HDy A 17 LYS HBy 1.0 1.8 3.5 76 44 A 17 LYS HBy A 17 LYS HDx 1.0 1.8 3.5 77 45 A 17 LYS HDy A 17 LYS HBx 1.0 1.8 3.5 78 45 A 17 LYS HBx A 17 LYS HDx 1.0 1.8 3.5 79 46 A 17 LYS HEy A 17 LYS HBy 1.0 1.8 5.0 80 46 A 17 LYS HBy A 17 LYS HEx 1.0 1.8 5.0 81 47 A 17 LYS HEy A 17 LYS HBx 1.0 1.8 5.0 82 47 A 17 LYS HBx A 17 LYS HEx 1.0 1.8 5.0 83 48 A 19 ARG HA A 19 ARG HGy 1.0 1.8 5.0 84 49 A 19 ARG HA A 19 ARG HGx 1.0 1.8 5.0 85 50 A 20 PHE H A 19 ARG HBy 1.0 1.8 5.0 86 51 A 20 PHE H A 19 ARG HBx 1.0 1.8 5.0 87 52 A 20 PHE HA A 20 PHE HD% 1.0 1.8 5.0 88 53 A 21 CYS HBx A 23 ARG H 1.0 1.8 5.0 89 54 A 23 ARG H A 22 PRO HBy 1.0 1.8 5.0 90 55 A 23 ARG H A 22 PRO HBx 1.0 1.8 5.0 91 56 A 23 ARG H A 22 PRO HDx 1.0 1.8 6.0 92 57 A 22 PRO HGy A 23 ARG HA 1.0 1.8 6.0 93 58 A 23 ARG HA A 23 ARG HGy 1.0 1.8 5.0 94 59 A 23 ARG HA A 23 ARG HGx 1.0 1.8 5.0 95 60 A 23 ARG H A 23 ARG HBx 1.0 1.8 5.0 96 61 A 23 ARG HBx A 23 ARG HDy 1.0 1.8 5.0 97 62 A 23 ARG HBx A 23 ARG HDx 1.0 1.8 5.0 98 63 A 23 ARG H A 23 ARG HGx 1.0 1.8 5.0 99 64 A 24 CYS HBx A 25 GLY H 1.0 1.8 6.0 100 65 A 25 GLY H A 24 CYS HBy 1.0 1.8 5.0 101 66 A 28 VAL HA A 28 VAL HGx% 1.0 1.8 3.5 102 67 A 28 VAL HA A 28 VAL HGy% 1.0 1.8 3.5 103 68 A 28 VAL H A 28 VAL HB 1.0 1.8 5.0 104 69 A 20 PHE HE% A 29 PHE HA 1.0 1.8 5.0 105 70 A 29 PHE HA A 29 PHE HD% 1.0 1.8 5.0 106 71 A 29 PHE HBx A 30 LEU H 1.0 1.8 6.0 107 72 A 30 LEU HA A 30 LEU HG 1.0 1.8 5.0 108 73 A 30 LEU HA A 30 LEU HDy% 1.0 1.8 6.0 109 74 A 30 LEU HA A 30 LEU HDx% 1.0 1.8 3.5 110 75 A 30 LEU HDy% A 30 LEU HBx 1.0 1.8 5.0 111 76 A 30 LEU HDx% A 30 LEU HBx 1.0 1.8 5.0 112 77 A 30 LEU HBx A 31 ALA H 1.0 1.8 5.0 113 78 A 30 LEU HDy% A 30 LEU HBy 1.0 1.8 5.0 114 79 A 31 ALA H A 30 LEU HBy 1.0 1.8 5.0 115 80 A 30 LEU H A 30 LEU HG 1.0 1.8 5.0 116 81 A 30 LEU HDx% A 30 LEU HBy 1.0 1.8 5.0 117 82 A 32 GLU HA A 32 GLU HGy 1.0 1.8 5.0 118 83 A 32 GLU HA A 32 GLU HGx 1.0 1.8 3.5 119 84 A 36 ARG H A 35 ASP HBy 1.0 1.8 5.0 120 85 A 36 ARG HA A 48 LYS HGy 1.0 1.8 5.0 121 86 A 36 ARG HA A 36 ARG HDx 1.0 1.8 5.0 122 86 A 36 ARG HA A 36 ARG HDy 1.0 1.8 5.0 123 87 A 36 ARG HA A 48 LYS HEy 1.0 1.8 6.0 124 88 A 36 ARG HBx A 36 ARG HGy 1.0 1.8 3.5 125 89 A 36 ARG HGy A 35 ASP HBx 1.0 1.8 5.0 126 90 A 36 ARG HA A 36 ARG HGx 1.0 1.8 5.0 127 91 A 36 ARG H A 36 ARG HDx 1.0 1.8 5.0 128 91 A 36 ARG H A 36 ARG HDy 1.0 1.8 5.0 129 92 A 36 ARG HBx A 36 ARG HDx 1.0 1.8 5.0 130 92 A 36 ARG HDy A 36 ARG HBx 1.0 1.8 5.0 131 93 A 36 ARG HBy A 36 ARG HDx 1.0 1.8 5.0 132 93 A 36 ARG HDy A 36 ARG HBy 1.0 1.8 5.0 133 94 A 36 ARG HGy A 36 ARG HDx 1.0 1.8 3.5 134 94 A 36 ARG HDy A 36 ARG HGy 1.0 1.8 3.5 135 95 A 37 TYR H A 36 ARG HDx 1.0 1.8 6.0 136 95 A 36 ARG HDy A 37 TYR H 1.0 1.8 6.0 137 96 A 37 TYR HA A 37 TYR HD% 1.0 1.8 5.0 138 97 A 41 ARG HA A 41 ARG HGy 1.0 1.8 5.0 139 98 A 41 ARG HA A 41 ARG HGx 1.0 1.8 5.0 140 99 A 41 ARG H A 41 ARG HBy 1.0 1.8 5.0 141 100 A 41 ARG H A 41 ARG HDx 1.0 1.8 6.0 142 101 A 43 GLY H A 42 CYS HBx 1.0 1.8 6.0 143 102 A 44 TYR HA A 44 TYR HD% 1.0 1.8 5.0 144 103 A 45 THR HA A 45 THR HG2% 1.0 1.8 5.0 145 104 A 46 GLU HA A 46 GLU HGx 1.0 1.8 5.0 146 105 A 46 GLU HA A 46 GLU HGy 1.0 1.8 5.0 147 106 A 47 PHE H A 46 GLU HGy 1.0 1.8 6.0 148 107 A 47 PHE H A 46 GLU HBx 1.0 1.8 5.0 149 107 A 47 PHE H A 46 GLU HBy 1.0 1.8 5.0 150 108 A 47 PHE HA A 47 PHE HD% 1.0 1.8 5.0 151 109 A 47 PHE HBy A 48 LYS H 1.0 1.8 5.0 152 110 A 48 LYS HA A 48 LYS HDy 1.0 1.8 6.0 153 111 A 48 LYS HA A 48 LYS HDx 1.0 1.8 5.0 154 112 A 48 LYS HGy A 48 LYS HA 1.0 1.8 3.5 155 113 A 48 LYS HA A 48 LYS HGx 1.0 1.8 5.0 156 114 A 48 LYS H A 48 LYS HBx 1.0 1.8 5.0 157 115 A 48 LYS HDy A 48 LYS HBx 1.0 1.8 5.0 158 116 A 48 LYS HDx A 48 LYS HBx 1.0 1.8 3.5 159 117 A 48 LYS HDy A 48 LYS HBy 1.0 1.8 5.0 160 118 A 48 LYS HDx A 48 LYS HBy 1.0 1.8 5.0 161 119 A 48 LYS HBy A 48 LYS HEy 1.0 1.8 6.0 162 120 A 48 LYS HBy A 48 LYS HEx 1.0 1.8 6.0 163 121 A 48 LYS HBx A 48 LYS HEy 1.0 1.8 5.0 164 122 A 48 LYS HGy A 48 LYS HEy 1.0 1.8 5.0 165 123 A 48 LYS HGx A 48 LYS HEy 1.0 1.8 5.0 166 124 A 48 LYS HBx A 48 LYS HEx 1.0 1.8 5.0 167 125 A 48 LYS HGy A 48 LYS HEx 1.0 1.8 5.0 168 126 A 48 LYS HGx A 48 LYS HEx 1.0 1.8 5.0 169 127 A 48 LYS HGy A 48 LYS H 1.0 1.8 5.0 170 128 A 48 LYS HGy A 48 LYS HDx 1.0 1.8 2.7 171 129 A 51 LYS HA A 51 LYS HGx 1.0 1.8 5.0 172 129 A 51 LYS HA A 51 LYS HGy 1.0 1.8 5.0 173 130 A 49 LYS HA A 49 LYS HGx 1.0 1.8 5.0 174 131 A 49 LYS HA A 49 LYS HDx 1.0 1.8 5.0 175 131 A 49 LYS HA A 49 LYS HDy 1.0 1.8 5.0 176 132 A 49 LYS HEy A 49 LYS HBy 1.0 1.8 5.0 177 132 A 49 LYS HBy A 49 LYS HEx 1.0 1.8 5.0 178 133 A 49 LYS HEy A 49 LYS HBx 1.0 1.8 5.0 179 133 A 49 LYS HBx A 49 LYS HEx 1.0 1.8 5.0 180 134 A 51 LYS HA A 51 LYS HEx 1.0 1.8 3.5 181 134 A 51 LYS HA A 51 LYS HEy 1.0 1.8 3.5 182 135 A 49 LYS HA A 49 LYS HGy 1.0 1.8 5.0 183 136 A 51 LYS HEy A 51 LYS HGx 1.0 1.8 5.0 184 136 A 51 LYS HEx A 51 LYS HGx 1.0 1.8 5.0 185 136 A 51 LYS HGy A 51 LYS HEx 1.0 1.8 5.0 186 136 A 51 LYS HGy A 51 LYS HEy 1.0 1.8 5.0 187 137 A 51 LYS HBy A 51 LYS HGx 1.0 1.8 2.7 188 137 A 51 LYS HBx A 51 LYS HGx 1.0 1.8 2.7 189 137 A 51 LYS HGy A 51 LYS HBx 1.0 1.8 2.7 190 137 A 51 LYS HGy A 51 LYS HBy 1.0 1.8 2.7 191 138 A 51 LYS HBx A 51 LYS HEx 1.0 1.8 5.0 192 138 A 51 LYS HBy A 51 LYS HEx 1.0 1.8 5.0 193 138 A 51 LYS HEy A 51 LYS HBx 1.0 1.8 5.0 194 138 A 51 LYS HEy A 51 LYS HBy 1.0 1.8 5.0 195 139 A 52 LYS HBy A 52 LYS HEx 1.0 1.8 5.0 196 139 A 52 LYS HBx A 52 LYS HEx 1.0 1.8 5.0 197 139 A 52 LYS HEy A 52 LYS HBx 1.0 1.8 5.0 198 139 A 52 LYS HBy A 52 LYS HEy 1.0 1.8 5.0 199 140 A 22 PRO HDx A 21 CYS HBy 1.0 1.8 6.0 200 141 A 22 PRO HDx A 44 TYR HBx 1.0 1.8 6.0 201 142 A 21 CYS HBy A 22 PRO HDy 1.0 1.8 5.0 202 143 A 44 TYR HBx A 22 PRO HDy 1.0 1.8 6.0 203 144 A 21 CYS HBx A 22 PRO HDy 1.0 1.8 6.0 204 145 A 21 CYS HBx A 22 PRO HDx 1.0 1.8 6.0 205 146 A 22 PRO HDx A 21 CYS HA 1.0 1.8 3.5 206 147 A 22 PRO HDy A 21 CYS HA 1.0 1.8 3.5 207 148 A 25 GLY HAx A 26 PRO HDx 1.0 1.8 5.0 208 149 A 25 GLY HAx A 26 PRO HDy 1.0 1.8 5.0 209 150 A 29 PHE HA A 20 PHE HBx 1.0 1.8 6.0 210 151 A 20 PHE HD% A 29 PHE HA 1.0 1.8 5.0 211 152 A 29 PHE HA A 20 PHE HBy 1.0 1.8 5.0 212 153 A 20 PHE HA A 29 PHE HBy 1.0 1.8 6.0 213 154 A 28 VAL HGx% A 21 CYS H 1.0 1.8 5.0 214 155 A 28 VAL HB A 21 CYS H 1.0 1.8 5.0 215 156 A 30 LEU HA A 39 CYS HA 1.0 1.8 5.0 216 157 A 30 LEU HA A 39 CYS HBy 1.0 1.8 5.0 217 158 A 30 LEU HDx% A 44 TYR HE% 1.0 1.8 5.0 218 159 A 30 LEU HDy% A 44 TYR HE% 1.0 1.8 5.0 219 160 A 30 LEU HDy% A 37 TYR HD% 1.0 1.8 5.0 220 161 A 30 LEU HDy% A 44 TYR HD% 1.0 1.8 6.0 221 162 A 30 LEU HDx% A 39 CYS HA 1.0 1.8 5.0 222 163 A 30 LEU HDx% A 39 CYS HBy 1.0 1.8 3.5 223 164 A 30 LEU HG A 39 CYS HBy 1.0 1.8 5.0 224 165 A 44 TYR HD% A 39 CYS HBy 1.0 1.8 5.0 225 166 A 44 TYR HD% A 39 CYS HBx 1.0 1.8 5.0 226 167 A 30 LEU HDx% A 39 CYS HBx 1.0 1.8 5.0 227 168 A 43 GLY H A 39 CYS HBy 1.0 1.8 5.0 228 169 A 39 CYS HBx A 44 TYR HBy 1.0 1.8 5.0 229 170 A 39 CYS HBy A 44 TYR HBy 1.0 1.8 5.0 230 171 A 39 CYS HBy A 44 TYR H 1.0 1.8 5.0 231 172 A 30 LEU HDy% A 38 SER H 1.0 1.8 5.0 232 173 A 45 THR HA A 38 SER HA 1.0 1.8 5.0 233 174 A 45 THR HG2% A 38 SER HA 1.0 1.8 5.0 234 175 A 30 LEU HDx% A 38 SER HA 1.0 1.8 5.0 235 176 A 30 LEU HG A 38 SER HA 1.0 1.8 6.0 236 177 A 38 SER HA A 31 ALA HB% 1.0 1.8 6.0 237 178 A 44 TYR HD% A 38 SER HA 1.0 1.8 6.0 238 179 A 45 THR HG2% A 38 SER HBy 1.0 1.8 5.0 239 180 A 45 THR HG2% A 38 SER HBx 1.0 1.8 5.0 240 181 A 37 TYR H A 45 THR HG2% 1.0 1.8 5.0 241 182 A 37 TYR H A 47 PHE HA 1.0 1.8 5.0 242 183 A 36 ARG HA A 47 PHE HA 1.0 1.8 5.0 243 184 A 36 ARG HBx A 47 PHE HA 1.0 1.8 5.0 244 185 A 36 ARG HGy A 47 PHE HA 1.0 1.8 5.0 245 186 A 36 ARG HGx A 47 PHE HA 1.0 1.8 6.0 246 187 A 47 PHE HA A 36 ARG HDx 1.0 1.8 6.0 247 187 A 36 ARG HDy A 47 PHE HA 1.0 1.8 6.0 248 188 A 36 ARG HBx A 47 PHE HBy 1.0 1.8 5.0 249 189 A 48 LYS HBy A 47 PHE HBx 1.0 1.8 5.0 250 190 A 36 ARG HA A 47 PHE HBx 1.0 1.8 6.0 251 191 A 36 ARG HBy A 47 PHE HA 1.0 1.8 5.0 252 192 A 32 GLU HA A 37 TYR HD% 1.0 1.8 5.0 253 193 A 32 GLU HA A 37 TYR HE% 1.0 1.8 5.0 254 194 A 32 GLU HA A 37 TYR HBx 1.0 1.8 6.0 255 195 A 32 GLU HA A 37 TYR HBy 1.0 1.8 6.0 256 196 A 37 TYR HE% A 32 GLU HBx 1.0 1.8 5.0 257 197 A 37 TYR HE% A 32 GLU HBy 1.0 1.8 5.0 258 198 A 32 GLU HGx A 37 TYR HD% 1.0 1.8 5.0 259 199 A 32 GLU HGx A 37 TYR HE% 1.0 1.8 5.0 260 200 A 32 GLU HGy A 37 TYR HE% 1.0 1.8 5.0 261 201 A 32 GLU HA A 37 TYR HA 1.0 1.8 5.0 262 202 A 33 HIS HBy A 35 ASP H 1.0 1.8 5.0 263 203 A 35 ASP H A 33 HIS HBx 1.0 1.8 6.0 264 204 A 33 HIS HD2 A 38 SER HBy 1.0 1.8 6.0 265 205 A 33 HIS HD2 A 38 SER HBx 1.0 1.8 6.0 266 206 A 36 ARG HGx A 33 HIS HD2 1.0 1.8 5.0 267 207 A 36 ARG HGy A 33 HIS HD2 1.0 1.8 5.0 268 208 A 37 TYR HA A 33 HIS HD2 1.0 1.8 5.0 269 209 A 20 PHE HA A 30 LEU HBy 1.0 1.8 5.0 270 210 A 30 LEU HDy% A 21 CYS HA 1.0 1.8 5.0 271 211 A 30 LEU HDx% A 21 CYS HA 1.0 1.8 3.5 272 212 A 30 LEU HBy A 21 CYS HA 1.0 1.8 5.0 273 213 A 30 LEU HDy% A 21 CYS HBy 1.0 1.8 6.0 274 214 A 30 LEU HDx% A 21 CYS HBy 1.0 1.8 5.0 275 215 A 21 CYS HBx A 30 LEU HBy 1.0 1.8 6.0 276 216 A 25 GLY H A 22 PRO HA 1.0 1.8 5.0 277 217 A 22 PRO HDy A 44 TYR HE% 1.0 1.8 5.0 278 218 A 22 PRO HDx A 44 TYR HE% 1.0 1.8 5.0 279 219 A 22 PRO HDx A 44 TYR HD% 1.0 1.8 6.0 280 220 A 44 TYR HD% A 22 PRO HDy 1.0 1.8 6.0 281 221 A 30 LEU HDy% A 22 PRO HDy 1.0 1.8 5.0 282 222 A 22 PRO HGy A 44 TYR HE% 1.0 1.8 6.0 283 223 A 44 TYR HE% A 22 PRO HGx 1.0 1.8 5.0 284 224 A 28 VAL HGy% A 24 CYS HA 1.0 1.8 5.0 285 225 A 24 CYS HBy A 21 CYS H 1.0 1.8 6.0 286 226 A 23 ARG H A 24 CYS HBy 1.0 1.8 6.0 287 227 A 24 CYS HBx A 28 VAL HGy% 1.0 1.8 3.5 288 228 A 24 CYS HBx A 28 VAL HGx% 1.0 1.8 5.0 289 229 A 24 CYS HBy A 28 VAL HGx% 1.0 1.8 5.0 290 230 A 24 CYS HBy A 28 VAL HGy% 1.0 1.8 5.0 291 231 A 24 CYS HBy A 28 VAL HB 1.0 1.8 5.0 292 232 A 25 GLY HAx A 26 PRO HGy 1.0 1.8 6.0 293 233 A 25 GLY HAx A 26 PRO HGx 1.0 1.8 5.0 294 234 A 21 CYS HBy A 25 GLY HAx 1.0 1.8 6.0 295 235 A 28 VAL HA A 29 PHE HBx 1.0 1.8 5.0 296 236 A 46 GLU HA A 36 ARG HDx 1.0 1.8 6.0 297 236 A 36 ARG HDy A 46 GLU HA 1.0 1.8 6.0 298 237 A 30 LEU HDy% A 37 TYR HBy 1.0 1.8 5.0 299 238 A 30 LEU HDy% A 39 CYS HBy 1.0 1.8 5.0 300 239 A 30 LEU HDy% A 44 TYR HBx 1.0 1.8 6.0 301 240 A 22 PRO HDx A 30 LEU HDy% 1.0 1.8 5.0 302 241 A 22 PRO HDx A 30 LEU HDx% 1.0 1.8 5.0 303 242 A 30 LEU HDx% A 22 PRO HDy 1.0 1.8 5.0 304 243 A 31 ALA HB% A 37 TYR HBx 1.0 1.8 6.0 305 244 A 33 HIS HBx A 34 ALA HB% 1.0 1.8 5.0 306 245 A 36 ARG HGy A 33 HIS HBy 1.0 1.8 5.0 307 246 A 36 ARG HGx A 33 HIS HBy 1.0 1.8 5.0 308 247 A 36 ARG HGx A 33 HIS HBx 1.0 1.8 6.0 309 248 A 34 ALA HB% A 33 HIS HA 1.0 1.8 6.0 310 249 A 36 ARG H A 34 ALA HB% 1.0 1.8 6.0 311 250 A 36 ARG HGy A 35 ASP HBy 1.0 1.8 5.0 312 251 A 30 LEU HG A 37 TYR HBy 1.0 1.8 5.0 313 252 A 36 ARG HBy A 45 THR HG2% 1.0 1.8 5.0 314 253 A 36 ARG HBx A 45 THR HG2% 1.0 1.8 5.0 315 254 A 36 ARG HGx A 45 THR HG2% 1.0 1.8 5.0 316 255 A 45 THR HG2% A 36 ARG HDx 1.0 1.8 3.5 317 255 A 36 ARG HDy A 45 THR HG2% 1.0 1.8 3.5 318 256 A 30 LEU HDy% A 37 TYR HA 1.0 1.8 5.0 319 257 A 30 LEU HDx% A 37 TYR HA 1.0 1.8 5.0 320 258 A 30 LEU HG A 37 TYR HA 1.0 1.8 5.0 321 259 A 37 TYR HA A 31 ALA HB% 1.0 1.8 5.0 322 260 A 30 LEU HDx% A 37 TYR HBy 1.0 1.8 5.0 323 261 A 30 LEU HDx% A 37 TYR HBx 1.0 1.8 6.0 324 262 A 30 LEU HDy% A 37 TYR HBx 1.0 1.8 5.0 325 263 A 30 LEU HDy% A 46 GLU HBx 1.0 1.8 6.0 326 263 A 30 LEU HDy% A 46 GLU HBy 1.0 1.8 6.0 327 264 A 39 CYS HBy A 38 SER HA 1.0 1.8 5.0 328 265 A 44 TYR HBx A 38 SER HA 1.0 1.8 6.0 329 266 A 39 CYS HBx A 38 SER HA 1.0 1.8 6.0 330 267 A 31 ALA HB% A 38 SER HBx 1.0 1.8 5.0 331 268 A 31 ALA HB% A 38 SER HBy 1.0 1.8 5.0 332 269 A 28 VAL HGx% A 41 ARG HBy 1.0 1.8 5.0 333 270 A 28 VAL HGx% A 41 ARG HBx 1.0 1.8 5.0 334 271 A 28 VAL HGx% A 41 ARG HDy 1.0 1.8 5.0 335 272 A 28 VAL HGx% A 41 ARG HDx 1.0 1.8 5.0 336 273 A 28 VAL HGy% A 41 ARG HDy 1.0 1.8 6.0 337 274 A 28 VAL HGy% A 41 ARG HDx 1.0 1.8 6.0 338 275 A 41 ARG H A 42 CYS HA 1.0 1.8 5.0 339 276 A 42 CYS H A 43 GLY HAx 1.0 1.8 6.0 340 277 A 30 LEU HDx% A 44 TYR HBx 1.0 1.8 5.0 341 278 A 45 THR HG2% A 47 PHE HA 1.0 1.8 6.0 342 279 A 36 ARG HA A 45 THR HG2% 1.0 1.8 6.0 343 280 A 45 THR HG2% A 46 GLU HA 1.0 1.8 5.0 344 281 A 37 TYR HD% A 46 GLU HBx 1.0 1.8 5.0 345 281 A 37 TYR HD% A 46 GLU HBy 1.0 1.8 5.0 346 282 A 44 TYR HE% A 46 GLU HBx 1.0 1.8 5.0 347 282 A 46 GLU HBy A 44 TYR HE% 1.0 1.8 5.0 348 283 A 37 TYR HBy A 46 GLU HBx 1.0 1.8 5.0 349 283 A 46 GLU HBy A 37 TYR HBy 1.0 1.8 5.0 350 284 A 37 TYR HBx A 46 GLU HBx 1.0 1.8 5.0 351 284 A 46 GLU HBy A 37 TYR HBx 1.0 1.8 5.0 352 285 A 37 TYR HD% A 46 GLU HGx 1.0 1.8 6.0 353 286 A 37 TYR HD% A 46 GLU HGy 1.0 1.8 6.0 354 287 A 37 TYR HE% A 48 LYS HEx 1.0 1.8 6.0 355 288 A 37 TYR HE% A 48 LYS HEy 1.0 1.8 6.0 356 289 A 36 ARG H A 48 LYS HEy 1.0 1.8 6.0 357 290 A 36 ARG H A 48 LYS HEx 1.0 1.8 6.0 358 291 A 36 ARG HA A 48 LYS HEx 1.0 1.8 6.0 359 292 A 48 LYS HGx A 37 TYR HE% 1.0 1.8 6.0 360 293 A 48 LYS HGy A 37 TYR HD% 1.0 1.8 6.0 361 294 A 48 LYS HA A 37 TYR HE% 1.0 1.8 5.0 362 295 A 30 LEU HDy% A 21 CYS H 1.0 1.8 6.0 363 296 A 36 ARG HBx A 47 PHE HD% 1.0 1.8 5.0 364 297 A 21 CYS HBx A 25 GLY HAy 1.0 1.8 5.0 365 298 A 30 LEU HDx% A 21 CYS H 1.0 1.8 5.0 366 299 A 21 CYS HBx A 30 LEU HDx% 1.0 1.8 5.0 367 300 A 28 VAL HB A 24 CYS HA 1.0 1.8 6.0 368 301 A 28 VAL HB A 24 CYS H 1.0 1.8 6.0 369 302 A 24 CYS HBx A 28 VAL HB 1.0 1.8 5.0 370 303 A 30 LEU HDy% A 19 ARG HBy 1.0 1.8 5.0 371 304 A 30 LEU HDy% A 19 ARG HBx 1.0 1.8 5.0 372 305 A 20 PHE HBx A 25 GLY HAy 1.0 1.8 5.0 373 306 A 20 PHE HD% A 25 GLY HAy 1.0 1.8 6.0 374 307 A 30 LEU HBx A 21 CYS H 1.0 1.8 5.0 375 308 A 30 LEU HBy A 37 TYR HBx 1.0 1.8 5.0 376 309 A 30 LEU HBx A 37 TYR HBx 1.0 1.8 5.0 377 310 A 31 ALA HB% A 33 HIS HD2 1.0 1.8 6.0 378 311 A 32 GLU HGx A 37 TYR HA 1.0 1.8 6.0 379 312 A 32 GLU HGy A 48 LYS HEx 1.0 1.8 5.0 380 313 A 32 GLU HGx A 48 LYS HEx 1.0 1.8 5.0 381 314 A 32 GLU HGy A 48 LYS HEy 1.0 1.8 5.0 382 315 A 32 GLU HGx A 48 LYS HEy 1.0 1.8 5.0 383 316 A 37 TYR HBx A 32 GLU H 1.0 1.8 6.0 384 317 A 37 TYR HBx A 33 HIS H 1.0 1.8 6.0 385 318 A 36 ARG HA A 48 LYS HGx 1.0 1.8 5.0 386 319 A 36 ARG HBy A 46 GLU H 1.0 1.8 6.0 387 320 A 36 ARG HBx A 48 LYS H 1.0 1.8 6.0 388 321 A 45 THR HB A 36 ARG HDx 1.0 1.8 6.0 389 321 A 36 ARG HDy A 45 THR HB 1.0 1.8 6.0 390 322 A 47 PHE HD% A 36 ARG HDx 1.0 1.8 5.0 391 322 A 36 ARG HDy A 47 PHE HD% 1.0 1.8 5.0 392 323 A 43 GLY HAx A 39 CYS H 1.0 1.8 6.0 393 324 A 39 CYS HBy A 43 GLY HAy 1.0 1.8 6.0 394 325 A 44 TYR HBx A 43 GLY HAy 1.0 1.8 6.0 395 326 A 44 TYR HBx A 39 CYS H 1.0 1.8 5.0 396 327 A 44 TYR HBx A 39 CYS HBx 1.0 1.8 5.0 397 328 A 34 ALA HB% A 35 ASP HA 1.0 1.8 6.0 398 329 A 29 PHE HD% A 29 PHE H 1.0 1.8 5.0 399 330 A 7 TYR HA A 7 TYR HD% 1.0 1.8 5.0 400 331 A 37 TYR H A 37 TYR HD% 1.0 1.8 5.0 401 332 A 44 TYR HD% A 45 THR H 1.0 1.8 5.0 402 333 A 30 LEU HDx% A 44 TYR HD% 1.0 1.8 3.5 403 334 A 30 LEU HDx% A 37 TYR HD% 1.0 1.8 6.0 404 335 A 37 TYR HD% A 48 LYS HGx 1.0 1.8 6.0 405 336 A 44 TYR HD% A 46 GLU HBx 1.0 1.8 5.0 406 336 A 44 TYR HD% A 46 GLU HBy 1.0 1.8 5.0 407 337 A 48 LYS HGy A 37 TYR HE% 1.0 1.8 5.0 408 338 A 20 PHE HD% A 25 GLY HAx 1.0 1.8 5.0 409 339 A 37 TYR HD% A 48 LYS HA 1.0 1.8 5.0 410 340 A 48 LYS HBx A 49 LYS H 1.0 1.8 6.0 411 341 A 5 GLU H A 5 GLU HGx 1.0 1.8 5.0 412 341 A 5 GLU HGy A 5 GLU H 1.0 1.8 5.0 413 342 A 6 LEU HG A 6 LEU H 1.0 1.8 5.0 414 343 A 6 LEU HA A 7 TYR H 1.0 1.8 3.5 415 344 A 7 TYR HD% A 7 TYR H 1.0 1.8 5.0 416 345 A 8 GLU H A 7 TYR HA 1.0 1.8 3.5 417 346 A 9 ILE HB A 9 ILE H 1.0 1.8 5.0 418 347 A 14 LEU H A 13 LYS HBx 1.0 1.8 5.0 419 347 A 14 LEU H A 13 LYS HBy 1.0 1.8 5.0 420 348 A 9 ILE HD1% A 9 ILE H 1.0 1.8 5.0 421 349 A 9 ILE H A 9 ILE HG2% 1.0 1.8 5.0 422 350 A 14 LEU H A 14 LEU HDx% 1.0 1.8 6.0 423 351 A 9 ILE HA A 10 ALA H 1.0 1.8 3.5 424 352 A 10 ALA HB% A 10 ALA H 1.0 1.8 5.0 425 353 A 13 LYS H A 13 LYS HBx 1.0 1.8 5.0 426 353 A 13 LYS HBy A 13 LYS H 1.0 1.8 5.0 427 354 A 8 GLU HA A 9 ILE H 1.0 1.8 3.5 428 355 A 14 LEU H A 13 LYS HA 1.0 1.8 3.5 429 356 A 14 LEU H A 14 LEU HDy% 1.0 1.8 6.0 430 357 A 14 LEU HA A 15 VAL H 1.0 1.8 3.5 431 358 A 15 VAL H A 15 VAL HB 1.0 1.8 5.0 432 359 A 15 VAL H A 15 VAL HGx% 1.0 1.8 3.5 433 359 A 15 VAL H A 15 VAL HGy% 1.0 1.8 3.5 434 360 A 15 VAL HA A 16 ARG H 1.0 1.8 5.0 435 361 A 16 ARG H A 16 ARG HGx 1.0 1.8 5.0 436 361 A 16 ARG HGy A 16 ARG H 1.0 1.8 5.0 437 362 A 17 LYS H A 17 LYS HGy 1.0 1.8 6.0 438 363 A 17 LYS H A 17 LYS HGx 1.0 1.8 6.0 439 364 A 17 LYS H A 17 LYS HDx 1.0 1.8 5.0 440 364 A 17 LYS H A 17 LYS HDy 1.0 1.8 5.0 441 365 A 19 ARG HA A 20 PHE H 1.0 1.8 2.7 442 366 A 20 PHE H A 20 PHE HBx 1.0 1.8 5.0 443 367 A 20 PHE H A 20 PHE HD% 1.0 1.8 6.0 444 368 A 20 PHE HA A 21 CYS H 1.0 1.8 3.5 445 369 A 21 CYS HBy A 21 CYS H 1.0 1.8 3.5 446 370 A 21 CYS HBx A 21 CYS H 1.0 1.8 3.5 447 371 A 23 ARG H A 23 ARG HBy 1.0 1.8 3.5 448 372 A 23 ARG H A 23 ARG HGy 1.0 1.8 5.0 449 373 A 24 CYS HBx A 24 CYS H 1.0 1.8 5.0 450 374 A 24 CYS HBy A 24 CYS H 1.0 1.8 3.5 451 375 A 26 PRO HA A 27 GLY H 1.0 1.8 3.5 452 376 A 28 VAL HGx% A 28 VAL H 1.0 1.8 5.0 453 377 A 28 VAL HGy% A 28 VAL H 1.0 1.8 5.0 454 378 A 28 VAL HA A 29 PHE H 1.0 1.8 3.5 455 379 A 29 PHE HBy A 29 PHE H 1.0 1.8 5.0 456 380 A 29 PHE HBx A 29 PHE H 1.0 1.8 3.5 457 381 A 29 PHE HA A 30 LEU H 1.0 1.8 3.5 458 382 A 30 LEU H A 30 LEU HBx 1.0 1.8 3.5 459 383 A 30 LEU H A 30 LEU HBy 1.0 1.8 3.5 460 384 A 30 LEU H A 30 LEU HDy% 1.0 1.8 5.0 461 385 A 30 LEU H A 30 LEU HDx% 1.0 1.8 5.0 462 386 A 30 LEU HA A 31 ALA H 1.0 1.8 3.5 463 387 A 31 ALA H A 31 ALA HB% 1.0 1.8 3.5 464 388 A 32 GLU H A 31 ALA HA 1.0 1.8 3.5 465 389 A 32 GLU H A 32 GLU HBy 1.0 1.8 3.5 466 390 A 32 GLU H A 32 GLU HBx 1.0 1.8 3.5 467 391 A 32 GLU HGy A 32 GLU H 1.0 1.8 5.0 468 392 A 32 GLU HGx A 32 GLU H 1.0 1.8 5.0 469 393 A 32 GLU HA A 33 HIS H 1.0 1.8 3.5 470 394 A 33 HIS HBx A 33 HIS H 1.0 1.8 5.0 471 395 A 33 HIS HBy A 33 HIS H 1.0 1.8 3.5 472 396 A 36 ARG H A 36 ARG HBx 1.0 1.8 5.0 473 397 A 36 ARG H A 36 ARG HGy 1.0 1.8 5.0 474 398 A 36 ARG H A 48 LYS HGy 1.0 1.8 5.0 475 399 A 36 ARG H A 36 ARG HGx 1.0 1.8 5.0 476 400 A 36 ARG H A 35 ASP HBx 1.0 1.8 5.0 477 401 A 36 ARG HA A 37 TYR H 1.0 1.8 3.5 478 402 A 37 TYR H A 37 TYR HBy 1.0 1.8 3.5 479 403 A 37 TYR HA A 38 SER H 1.0 1.8 3.5 480 404 A 38 SER HA A 39 CYS H 1.0 1.8 3.5 481 405 A 39 CYS HBx A 39 CYS H 1.0 1.8 3.5 482 406 A 39 CYS HBy A 39 CYS H 1.0 1.8 3.5 483 407 A 39 CYS HA A 40 GLY H 1.0 1.8 3.5 484 408 A 41 ARG H A 41 ARG HBx 1.0 1.8 5.0 485 409 A 41 ARG H A 41 ARG HDy 1.0 1.8 6.0 486 410 A 42 CYS H A 42 CYS HBy 1.0 1.8 5.0 487 411 A 42 CYS H A 42 CYS HBx 1.0 1.8 5.0 488 412 A 44 TYR HBy A 44 TYR H 1.0 1.8 3.5 489 413 A 44 TYR HBx A 44 TYR H 1.0 1.8 3.5 490 414 A 44 TYR HD% A 44 TYR H 1.0 1.8 5.0 491 415 A 44 TYR HA A 45 THR H 1.0 1.8 2.7 492 416 A 45 THR HB A 45 THR H 1.0 1.8 3.5 493 417 A 45 THR HG2% A 45 THR H 1.0 1.8 5.0 494 418 A 45 THR HA A 46 GLU H 1.0 1.8 3.5 495 419 A 46 GLU H A 46 GLU HBx 1.0 1.8 3.5 496 419 A 46 GLU HBy A 46 GLU H 1.0 1.8 3.5 497 420 A 46 GLU HA A 47 PHE H 1.0 1.8 3.5 498 421 A 47 PHE H A 47 PHE HBx 1.0 1.8 5.0 499 422 A 47 PHE H A 47 PHE HBy 1.0 1.8 3.5 500 423 A 47 PHE H A 47 PHE HD% 1.0 1.8 5.0 501 424 A 47 PHE HA A 48 LYS H 1.0 1.8 3.5 502 425 A 48 LYS H A 48 LYS HBy 1.0 1.8 3.5 503 426 A 36 ARG HGy A 48 LYS H 1.0 1.8 5.0 504 427 A 48 LYS H A 48 LYS HGx 1.0 1.8 5.0 505 428 A 4 ARG HA A 5 GLU H 1.0 1.8 3.5 506 429 A 48 LYS HA A 49 LYS H 1.0 1.8 3.5 507 430 A 50 ALA HA A 51 LYS H 1.0 1.8 5.0 508 431 A 5 GLU H A 6 LEU H 1.0 1.8 3.5 509 432 A 6 LEU H A 5 GLU HBx 1.0 1.8 5.0 510 433 A 6 LEU H A 5 GLU HGx 1.0 1.8 6.0 511 433 A 5 GLU HGy A 6 LEU H 1.0 1.8 6.0 512 434 A 8 GLU H A 7 TYR H 1.0 1.8 5.0 513 435 A 8 GLU H A 7 TYR HBy 1.0 1.8 5.0 514 436 A 8 GLU H A 7 TYR HBx 1.0 1.8 5.0 515 437 A 6 LEU H A 5 GLU HBy 1.0 1.8 5.0 516 438 A 9 ILE H A 8 GLU HGx 1.0 1.8 6.0 517 438 A 8 GLU HGy A 9 ILE H 1.0 1.8 6.0 518 439 A 9 ILE H A 10 ALA H 1.0 1.8 6.0 519 440 A 9 ILE HB A 10 ALA H 1.0 1.8 5.0 520 441 A 9 ILE HD1% A 10 ALA H 1.0 1.8 6.0 521 442 A 16 ARG H A 15 VAL HB 1.0 1.8 5.0 522 443 A 20 PHE HBx A 21 CYS H 1.0 1.8 3.5 523 444 A 20 PHE HBy A 21 CYS H 1.0 1.8 5.0 524 445 A 20 PHE HD% A 21 CYS H 1.0 1.8 5.0 525 446 A 23 ARG H A 24 CYS H 1.0 1.8 3.5 526 447 A 23 ARG H A 25 GLY H 1.0 1.8 5.0 527 448 A 23 ARG H A 22 PRO HDy 1.0 1.8 5.0 528 449 A 23 ARG H A 22 PRO HGx 1.0 1.8 5.0 529 450 A 23 ARG H A 22 PRO HGy 1.0 1.8 5.0 530 451 A 24 CYS H A 23 ARG HBy 1.0 1.8 3.5 531 452 A 23 ARG HBx A 24 CYS H 1.0 1.8 5.0 532 453 A 25 GLY H A 24 CYS H 1.0 1.8 3.5 533 454 A 25 GLY H A 20 PHE HBx 1.0 1.8 6.0 534 455 A 28 VAL H A 27 GLY H 1.0 1.8 5.0 535 456 A 28 VAL H A 29 PHE H 1.0 1.8 6.0 536 457 A 28 VAL HB A 29 PHE H 1.0 1.8 6.0 537 458 A 28 VAL HGx% A 29 PHE H 1.0 1.8 5.0 538 459 A 28 VAL HGy% A 29 PHE H 1.0 1.8 5.0 539 460 A 20 PHE HE% A 30 LEU H 1.0 1.8 6.0 540 461 A 29 PHE HD% A 30 LEU H 1.0 1.8 6.0 541 462 A 30 LEU H A 29 PHE HBy 1.0 1.8 5.0 542 463 A 30 LEU H A 21 CYS HBy 1.0 1.8 5.0 543 464 A 31 ALA H A 32 GLU H 1.0 1.8 5.0 544 465 A 30 LEU H A 31 ALA H 1.0 1.8 5.0 545 466 A 30 LEU HDx% A 31 ALA H 1.0 1.8 5.0 546 467 A 30 LEU HDy% A 31 ALA H 1.0 1.8 6.0 547 468 A 31 ALA HB% A 32 GLU H 1.0 1.8 5.0 548 469 A 33 HIS H A 32 GLU HBy 1.0 1.8 5.0 549 470 A 33 HIS H A 32 GLU HBx 1.0 1.8 5.0 550 471 A 32 GLU HGy A 33 HIS H 1.0 1.8 5.0 551 472 A 32 GLU HGx A 33 HIS H 1.0 1.8 5.0 552 473 A 36 ARG H A 35 ASP H 1.0 1.8 3.5 553 474 A 35 ASP H A 34 ALA HB% 1.0 1.8 3.5 554 475 A 36 ARG HBx A 37 TYR H 1.0 1.8 5.0 555 476 A 36 ARG HBy A 37 TYR H 1.0 1.8 3.5 556 477 A 48 LYS HGy A 37 TYR H 1.0 1.8 5.0 557 478 A 36 ARG HGx A 37 TYR H 1.0 1.8 5.0 558 479 A 37 TYR HD% A 38 SER H 1.0 1.8 5.0 559 480 A 38 SER H A 37 TYR HBx 1.0 1.8 5.0 560 481 A 38 SER H A 37 TYR HBy 1.0 1.8 5.0 561 482 A 39 CYS H A 38 SER HBy 1.0 1.8 5.0 562 483 A 39 CYS H A 38 SER HBx 1.0 1.8 5.0 563 484 A 43 GLY H A 42 CYS H 1.0 1.8 3.5 564 485 A 41 ARG H A 43 GLY H 1.0 1.8 5.0 565 486 A 43 GLY H A 42 CYS HBy 1.0 1.8 6.0 566 487 A 43 GLY H A 44 TYR H 1.0 1.8 3.5 567 488 A 44 TYR H A 42 CYS H 1.0 1.8 5.0 568 489 A 44 TYR HE% A 45 THR H 1.0 1.8 6.0 569 490 A 44 TYR HBy A 45 THR H 1.0 1.8 5.0 570 491 A 44 TYR HBx A 45 THR H 1.0 1.8 6.0 571 492 A 46 GLU H A 45 THR H 1.0 1.8 5.0 572 493 A 46 GLU H A 45 THR HB 1.0 1.8 5.0 573 494 A 45 THR HG2% A 46 GLU H 1.0 1.8 3.5 574 495 A 47 PHE H A 46 GLU HGx 1.0 1.8 6.0 575 496 A 47 PHE HD% A 48 LYS H 1.0 1.8 3.5 576 497 A 47 PHE H A 48 LYS H 1.0 1.8 6.0 577 498 A 48 LYS H A 47 PHE HBx 1.0 1.8 5.0 578 499 A 36 ARG H A 37 TYR H 1.0 1.8 6.0 579 500 A 20 PHE HA A 30 LEU H 1.0 1.8 5.0 580 501 A 24 CYS HBx A 28 VAL H 1.0 1.8 6.0 581 502 A 24 CYS HBy A 28 VAL H 1.0 1.8 6.0 582 503 A 29 PHE HA A 21 CYS H 1.0 1.8 5.0 583 504 A 44 TYR HD% A 39 CYS H 1.0 1.8 5.0 584 505 A 43 GLY H A 39 CYS HBx 1.0 1.8 3.5 585 506 A 39 CYS HBx A 44 TYR H 1.0 1.8 3.5 586 507 A 39 CYS HBx A 42 CYS H 1.0 1.8 5.0 587 508 A 39 CYS HBy A 42 CYS H 1.0 1.8 5.0 588 509 A 31 ALA H A 39 CYS HA 1.0 1.8 5.0 589 510 A 31 ALA H A 37 TYR HBx 1.0 1.8 6.0 590 511 A 31 ALA H A 39 CYS HBy 1.0 1.8 6.0 591 512 A 31 ALA H A 38 SER H 1.0 1.8 5.0 592 513 A 32 GLU HA A 38 SER H 1.0 1.8 5.0 593 514 A 30 LEU HDx% A 38 SER H 1.0 1.8 5.0 594 515 A 30 LEU HG A 38 SER H 1.0 1.8 5.0 595 516 A 38 SER H A 31 ALA HB% 1.0 1.8 5.0 596 517 A 30 LEU HA A 38 SER H 1.0 1.8 5.0 597 518 A 38 SER H A 33 HIS H 1.0 1.8 6.0 598 519 A 45 THR HG2% A 39 CYS H 1.0 1.8 6.0 599 520 A 38 SER HA A 46 GLU H 1.0 1.8 5.0 600 521 A 37 TYR H A 46 GLU H 1.0 1.8 5.0 601 522 A 37 TYR HD% A 46 GLU H 1.0 1.8 6.0 602 523 A 44 TYR HD% A 46 GLU H 1.0 1.8 6.0 603 524 A 46 GLU H A 36 ARG HDx 1.0 1.8 5.0 604 524 A 36 ARG HDy A 46 GLU H 1.0 1.8 5.0 605 525 A 37 TYR HBy A 46 GLU H 1.0 1.8 6.0 606 526 A 37 TYR H A 48 LYS H 1.0 1.8 5.0 607 527 A 36 ARG HA A 48 LYS H 1.0 1.8 3.5 608 528 A 37 TYR HA A 33 HIS H 1.0 1.8 5.0 609 529 A 36 ARG H A 33 HIS H 1.0 1.8 5.0 610 530 A 36 ARG H A 33 HIS HBx 1.0 1.8 5.0 611 531 A 36 ARG H A 33 HIS HBy 1.0 1.8 3.5 612 532 A 38 SER H A 33 HIS HD2 1.0 1.8 5.0 613 533 A 36 ARG H A 33 HIS HD2 1.0 1.8 6.0 614 534 A 33 HIS HD2 A 33 HIS H 1.0 1.8 5.0 615 535 A 30 LEU HBy A 21 CYS H 1.0 1.8 5.0 616 536 A 21 CYS HBy A 24 CYS H 1.0 1.8 5.0 617 537 A 21 CYS HBx A 24 CYS H 1.0 1.8 3.5 618 538 A 30 LEU H A 21 CYS HA 1.0 1.8 6.0 619 539 A 31 ALA HB% A 33 HIS H 1.0 1.8 6.0 620 540 A 48 LYS HGy A 33 HIS H 1.0 1.8 6.0 621 541 A 37 TYR H A 46 GLU HBx 1.0 1.8 5.0 622 541 A 37 TYR H A 46 GLU HBy 1.0 1.8 5.0 623 542 A 37 TYR H A 48 LYS HGx 1.0 1.8 6.0 624 543 A 30 LEU HDx% A 39 CYS H 1.0 1.8 5.0 625 544 A 28 VAL HGx% A 41 ARG H 1.0 1.8 5.0 626 545 A 41 ARG H A 42 CYS H 1.0 1.8 3.5 627 546 A 42 CYS H A 41 ARG HBy 1.0 1.8 5.0 628 547 A 42 CYS H A 41 ARG HBx 1.0 1.8 5.0 629 548 A 42 CYS H A 43 GLY HAy 1.0 1.8 5.0 630 549 A 30 LEU HDx% A 44 TYR H 1.0 1.8 6.0 631 550 A 20 PHE H A 30 LEU HDy% 1.0 1.8 6.0 632 551 A 36 ARG HBy A 48 LYS H 1.0 1.8 6.0 633 552 A 37 TYR HD% A 33 HIS H 1.0 1.8 6.0 634 553 A 44 TYR H A 39 CYS H 1.0 1.8 5.0 635 554 A 20 PHE HD% A 30 LEU H 1.0 1.8 5.0 636 555 A 23 ARG H A 21 CYS HA 1.0 1.8 5.0 637 556 A 25 GLY H A 21 CYS HA 1.0 1.8 6.0 638 557 A 25 GLY HAx A 21 CYS H 1.0 1.8 6.0 639 558 A 22 PRO HDy A 24 CYS H 1.0 1.8 5.0 640 559 A 30 LEU HG A 39 CYS H 1.0 1.8 6.0 641 560 A 31 ALA HB% A 39 CYS H 1.0 1.8 6.0 642 561 A 38 SER HA A 45 THR H 1.0 1.8 6.0 643 562 A 43 GLY H A 39 CYS H 1.0 1.8 6.0 644 563 A 39 CYS HA A 44 TYR H 1.0 1.8 5.0 645 564 A 1 MET HE% A 1 MET HBy 1.0 1.8 5.0 646 564 A 1 MET HE% A 1 MET HBx 1.0 1.8 5.0 647 565 A 4 ARG H A 4 ARG HBx 1.0 1.8 2.7 648 565 A 4 ARG H A 4 ARG HBy 1.0 1.8 2.7 649 566 A 4 ARG HBy A 4 ARG HGx 1.0 1.8 2.7 650 566 A 4 ARG HBx A 4 ARG HGx 1.0 1.8 2.7 651 566 A 4 ARG HGy A 4 ARG HBx 1.0 1.8 2.7 652 566 A 4 ARG HGy A 4 ARG HBy 1.0 1.8 2.7 653 567 A 5 GLU H A 4 ARG HBx 1.0 1.8 5.0 654 567 A 5 GLU H A 4 ARG HBy 1.0 1.8 5.0 655 568 A 5 GLU H A 5 GLU HBy 1.0 1.8 5.0 656 568 A 5 GLU H A 5 GLU HBx 1.0 1.8 5.0 657 569 A 6 LEU H A 5 GLU HBy 1.0 1.8 5.0 658 569 A 6 LEU H A 5 GLU HBx 1.0 1.8 5.0 659 570 A 6 LEU H A 6 LEU HBx 1.0 1.8 3.5 660 570 A 6 LEU H A 6 LEU HBy 1.0 1.8 3.5 661 571 A 6 LEU H A 6 LEU HDx% 1.0 1.8 6.0 662 571 A 6 LEU H A 6 LEU HDy% 1.0 1.8 6.0 663 572 A 6 LEU HA A 6 LEU HDx% 1.0 1.8 5.0 664 572 A 6 LEU HA A 6 LEU HDy% 1.0 1.8 5.0 665 573 A 6 LEU HG A 6 LEU HBx 1.0 1.8 2.7 666 573 A 6 LEU HG A 6 LEU HBy 1.0 1.8 2.7 667 574 A 6 LEU HBx A 7 TYR HBx 1.0 1.8 6.0 668 574 A 6 LEU HBy A 7 TYR HBx 1.0 1.8 6.0 669 574 A 7 TYR HBy A 6 LEU HBx 1.0 1.8 6.0 670 574 A 6 LEU HBy A 7 TYR HBy 1.0 1.8 6.0 671 575 A 7 TYR H A 6 LEU HDx% 1.0 1.8 6.0 672 575 A 7 TYR H A 6 LEU HDy% 1.0 1.8 6.0 673 576 A 7 TYR H A 7 TYR HBx 1.0 1.8 3.5 674 576 A 7 TYR H A 7 TYR HBy 1.0 1.8 3.5 675 577 A 8 GLU H A 7 TYR HBx 1.0 1.8 5.0 676 577 A 8 GLU H A 7 TYR HBy 1.0 1.8 5.0 677 578 A 8 GLU H A 8 GLU HBy 1.0 1.8 5.0 678 578 A 8 GLU H A 8 GLU HBx 1.0 1.8 5.0 679 579 A 9 ILE H A 8 GLU HBy 1.0 1.8 3.5 680 579 A 9 ILE H A 8 GLU HBx 1.0 1.8 3.5 681 580 A 9 ILE H A 9 ILE HG1x 1.0 1.8 5.0 682 580 A 9 ILE H A 9 ILE HG1y 1.0 1.8 5.0 683 581 A 9 ILE HA A 9 ILE HG1x 1.0 1.8 5.0 684 581 A 9 ILE HA A 9 ILE HG1y 1.0 1.8 5.0 685 582 A 9 ILE HG2% A 9 ILE HG1x 1.0 1.8 3.5 686 582 A 9 ILE HG2% A 9 ILE HG1y 1.0 1.8 3.5 687 583 A 14 LEU H A 14 LEU HBy 1.0 1.8 5.0 688 583 A 14 LEU H A 14 LEU HBx 1.0 1.8 5.0 689 584 A 14 LEU H A 14 LEU HDx% 1.0 1.8 5.0 690 584 A 14 LEU H A 14 LEU HDy% 1.0 1.8 5.0 691 585 A 14 LEU HA A 14 LEU HDx% 1.0 1.8 5.0 692 585 A 14 LEU HA A 14 LEU HDy% 1.0 1.8 5.0 693 586 A 14 LEU HG A 14 LEU HBy 1.0 1.8 2.7 694 586 A 14 LEU HG A 14 LEU HBx 1.0 1.8 2.7 695 587 A 15 VAL H A 14 LEU HBy 1.0 1.8 5.0 696 587 A 15 VAL H A 14 LEU HBx 1.0 1.8 5.0 697 588 A 15 VAL H A 14 LEU HDx% 1.0 1.8 6.0 698 588 A 15 VAL H A 14 LEU HDy% 1.0 1.8 6.0 699 589 A 16 ARG H A 16 ARG HBx 1.0 1.8 3.5 700 589 A 16 ARG H A 16 ARG HBy 1.0 1.8 3.5 701 590 A 16 ARG HBx A 16 ARG HGx 1.0 1.8 2.7 702 590 A 16 ARG HBy A 16 ARG HGx 1.0 1.8 2.7 703 590 A 16 ARG HGy A 16 ARG HBx 1.0 1.8 2.7 704 590 A 16 ARG HGy A 16 ARG HBy 1.0 1.8 2.7 705 591 A 17 LYS H A 17 LYS HBx 1.0 1.8 3.5 706 591 A 17 LYS H A 17 LYS HBy 1.0 1.8 3.5 707 592 A 17 LYS H A 17 LYS HGx 1.0 1.8 5.0 708 592 A 17 LYS H A 17 LYS HGy 1.0 1.8 5.0 709 593 A 17 LYS HBx A 17 LYS HDx 1.0 1.8 2.7 710 593 A 17 LYS HBy A 17 LYS HDx 1.0 1.8 2.7 711 593 A 17 LYS HDy A 17 LYS HBx 1.0 1.8 2.7 712 593 A 17 LYS HDy A 17 LYS HBy 1.0 1.8 2.7 713 594 A 17 LYS HBy A 17 LYS HEx 1.0 1.8 5.0 714 594 A 17 LYS HBx A 17 LYS HEx 1.0 1.8 5.0 715 594 A 17 LYS HEy A 17 LYS HBx 1.0 1.8 5.0 716 594 A 17 LYS HEy A 17 LYS HBy 1.0 1.8 5.0 717 595 A 18 HIS H A 18 HIS HBy 1.0 1.8 5.0 718 595 A 18 HIS H A 18 HIS HBx 1.0 1.8 5.0 719 596 A 19 ARG H A 19 ARG HBx 1.0 1.8 3.5 720 596 A 19 ARG H A 19 ARG HBy 1.0 1.8 3.5 721 597 A 19 ARG H A 19 ARG HGy 1.0 1.8 5.0 722 597 A 19 ARG H A 19 ARG HGx 1.0 1.8 5.0 723 598 A 19 ARG HA A 19 ARG HGy 1.0 1.8 3.5 724 598 A 19 ARG HA A 19 ARG HGx 1.0 1.8 3.5 725 599 A 19 ARG HA A 19 ARG HDy 1.0 1.8 5.0 726 599 A 19 ARG HA A 19 ARG HDx 1.0 1.8 5.0 727 600 A 19 ARG HBy A 19 ARG HGy 1.0 1.8 2.7 728 600 A 19 ARG HBx A 19 ARG HGy 1.0 1.8 2.7 729 600 A 19 ARG HGx A 19 ARG HBx 1.0 1.8 2.7 730 600 A 19 ARG HBy A 19 ARG HGx 1.0 1.8 2.7 731 601 A 20 PHE H A 19 ARG HBx 1.0 1.8 5.0 732 601 A 20 PHE H A 19 ARG HBy 1.0 1.8 5.0 733 602 A 30 LEU HDy% A 19 ARG HBx 1.0 1.8 5.0 734 602 A 30 LEU HDy% A 19 ARG HBy 1.0 1.8 5.0 735 603 A 20 PHE H A 19 ARG HGy 1.0 1.8 5.0 736 603 A 20 PHE H A 19 ARG HGx 1.0 1.8 5.0 737 604 A 30 LEU HDy% A 19 ARG HDy 1.0 1.8 6.0 738 604 A 30 LEU HDy% A 19 ARG HDx 1.0 1.8 6.0 739 605 A 22 PRO HBy A 23 ARG HDx 1.0 1.8 5.0 740 605 A 22 PRO HBx A 23 ARG HDx 1.0 1.8 5.0 741 605 A 23 ARG HDy A 22 PRO HBx 1.0 1.8 5.0 742 605 A 22 PRO HBy A 23 ARG HDy 1.0 1.8 5.0 743 606 A 22 PRO HDy A 23 ARG HGy 1.0 1.8 5.0 744 606 A 22 PRO HDy A 23 ARG HGx 1.0 1.8 5.0 745 607 A 22 PRO HDx A 23 ARG HGy 1.0 1.8 6.0 746 607 A 22 PRO HDx A 23 ARG HGx 1.0 1.8 6.0 747 608 A 23 ARG H A 23 ARG HGy 1.0 1.8 5.0 748 608 A 23 ARG H A 23 ARG HGx 1.0 1.8 5.0 749 609 A 23 ARG H A 23 ARG HDx 1.0 1.8 6.0 750 609 A 23 ARG H A 23 ARG HDy 1.0 1.8 6.0 751 610 A 23 ARG HA A 23 ARG HGy 1.0 1.8 3.5 752 610 A 23 ARG HA A 23 ARG HGx 1.0 1.8 3.5 753 611 A 23 ARG HA A 23 ARG HDx 1.0 1.8 5.0 754 611 A 23 ARG HA A 23 ARG HDy 1.0 1.8 5.0 755 612 A 25 GLY HAy A 26 PRO HDy 1.0 1.8 3.5 756 612 A 25 GLY HAy A 26 PRO HDx 1.0 1.8 3.5 757 613 A 25 GLY HAx A 26 PRO HDy 1.0 1.8 3.5 758 613 A 25 GLY HAx A 26 PRO HDx 1.0 1.8 3.5 759 614 A 28 VAL HGx% A 41 ARG HGy 1.0 1.8 6.0 760 614 A 28 VAL HGx% A 41 ARG HGx 1.0 1.8 6.0 761 615 A 28 VAL HGx% A 41 ARG HDx 1.0 1.8 5.0 762 615 A 28 VAL HGx% A 41 ARG HDy 1.0 1.8 5.0 763 616 A 28 VAL HGy% A 41 ARG HBx 1.0 1.8 6.0 764 616 A 28 VAL HGy% A 41 ARG HBy 1.0 1.8 6.0 765 617 A 30 LEU HDx% A 38 SER HBx 1.0 1.8 5.0 766 617 A 30 LEU HDx% A 38 SER HBy 1.0 1.8 5.0 767 618 A 32 GLU H A 32 GLU HBy 1.0 1.8 3.5 768 618 A 32 GLU H A 32 GLU HBx 1.0 1.8 3.5 769 619 A 32 GLU HA A 48 LYS HEx 1.0 1.8 6.0 770 619 A 32 GLU HA A 48 LYS HEy 1.0 1.8 6.0 771 620 A 33 HIS H A 32 GLU HBy 1.0 1.8 5.0 772 620 A 33 HIS H A 32 GLU HBx 1.0 1.8 5.0 773 621 A 37 TYR HD% A 32 GLU HBy 1.0 1.8 5.0 774 621 A 37 TYR HD% A 32 GLU HBx 1.0 1.8 5.0 775 622 A 32 GLU HGy A 48 LYS HEx 1.0 1.8 5.0 776 622 A 32 GLU HGy A 48 LYS HEy 1.0 1.8 5.0 777 623 A 32 GLU HGx A 48 LYS HEx 1.0 1.8 3.5 778 623 A 32 GLU HGx A 48 LYS HEy 1.0 1.8 3.5 779 624 A 33 HIS HBy A 35 ASP HBy 1.0 1.8 5.0 780 624 A 33 HIS HBy A 35 ASP HBx 1.0 1.8 5.0 781 625 A 33 HIS HBx A 35 ASP HBy 1.0 1.8 5.0 782 625 A 33 HIS HBx A 35 ASP HBx 1.0 1.8 5.0 783 626 A 33 HIS HD2 A 38 SER HBx 1.0 1.8 5.0 784 626 A 33 HIS HD2 A 38 SER HBy 1.0 1.8 5.0 785 627 A 34 ALA HB% A 35 ASP HBy 1.0 1.8 6.0 786 627 A 34 ALA HB% A 35 ASP HBx 1.0 1.8 6.0 787 628 A 34 ALA HB% A 48 LYS HEx 1.0 1.8 6.0 788 628 A 34 ALA HB% A 48 LYS HEy 1.0 1.8 6.0 789 629 A 35 ASP H A 35 ASP HBy 1.0 1.8 3.5 790 629 A 35 ASP H A 35 ASP HBx 1.0 1.8 3.5 791 630 A 36 ARG H A 35 ASP HBy 1.0 1.8 5.0 792 630 A 36 ARG H A 35 ASP HBx 1.0 1.8 5.0 793 631 A 36 ARG HGy A 35 ASP HBy 1.0 1.8 5.0 794 631 A 36 ARG HGy A 35 ASP HBx 1.0 1.8 5.0 795 632 A 36 ARG H A 48 LYS HEx 1.0 1.8 5.0 796 632 A 36 ARG H A 48 LYS HEy 1.0 1.8 5.0 797 633 A 36 ARG HGx A 38 SER HBx 1.0 1.8 5.0 798 633 A 36 ARG HGx A 38 SER HBy 1.0 1.8 5.0 799 634 A 36 ARG HDy A 38 SER HBx 1.0 1.8 5.0 800 634 A 36 ARG HDx A 38 SER HBx 1.0 1.8 5.0 801 634 A 38 SER HBy A 36 ARG HDx 1.0 1.8 5.0 802 634 A 36 ARG HDy A 38 SER HBy 1.0 1.8 5.0 803 635 A 37 TYR HBy A 46 GLU HGy 1.0 1.8 6.0 804 635 A 37 TYR HBy A 46 GLU HGx 1.0 1.8 6.0 805 636 A 37 TYR HBx A 38 SER HBx 1.0 1.8 6.0 806 636 A 37 TYR HBx A 38 SER HBy 1.0 1.8 6.0 807 637 A 37 TYR HE% A 48 LYS HEx 1.0 1.8 5.0 808 637 A 37 TYR HE% A 48 LYS HEy 1.0 1.8 5.0 809 638 A 39 CYS H A 38 SER HBx 1.0 1.8 5.0 810 638 A 39 CYS H A 38 SER HBy 1.0 1.8 5.0 811 639 A 39 CYS HA A 38 SER HBx 1.0 1.8 6.0 812 639 A 39 CYS HA A 38 SER HBy 1.0 1.8 6.0 813 640 A 45 THR HA A 38 SER HBx 1.0 1.8 5.0 814 640 A 45 THR HA A 38 SER HBy 1.0 1.8 5.0 815 641 A 45 THR HG2% A 38 SER HBx 1.0 1.8 5.0 816 641 A 45 THR HG2% A 38 SER HBy 1.0 1.8 5.0 817 642 A 41 ARG H A 41 ARG HBx 1.0 1.8 5.0 818 642 A 41 ARG H A 41 ARG HBy 1.0 1.8 5.0 819 643 A 41 ARG H A 41 ARG HGy 1.0 1.8 5.0 820 643 A 41 ARG H A 41 ARG HGx 1.0 1.8 5.0 821 644 A 41 ARG HA A 41 ARG HGy 1.0 1.8 5.0 822 644 A 41 ARG HA A 41 ARG HGx 1.0 1.8 5.0 823 645 A 41 ARG HA A 41 ARG HDx 1.0 1.8 5.0 824 645 A 41 ARG HA A 41 ARG HDy 1.0 1.8 5.0 825 646 A 41 ARG HBx A 41 ARG HGy 1.0 1.8 2.7 826 646 A 41 ARG HBy A 41 ARG HGy 1.0 1.8 2.7 827 646 A 41 ARG HGx A 41 ARG HBx 1.0 1.8 2.7 828 646 A 41 ARG HGx A 41 ARG HBy 1.0 1.8 2.7 829 647 A 42 CYS H A 41 ARG HBx 1.0 1.8 3.5 830 647 A 42 CYS H A 41 ARG HBy 1.0 1.8 3.5 831 648 A 42 CYS H A 41 ARG HGy 1.0 1.8 6.0 832 648 A 42 CYS H A 41 ARG HGx 1.0 1.8 6.0 833 649 A 42 CYS H A 42 CYS HBy 1.0 1.8 3.5 834 649 A 42 CYS H A 42 CYS HBx 1.0 1.8 3.5 835 650 A 44 TYR HE% A 46 GLU HGy 1.0 1.8 5.0 836 650 A 44 TYR HE% A 46 GLU HGx 1.0 1.8 5.0 837 651 A 46 GLU H A 46 GLU HGy 1.0 1.8 6.0 838 651 A 46 GLU H A 46 GLU HGx 1.0 1.8 6.0 839 652 A 47 PHE H A 46 GLU HGy 1.0 1.8 5.0 840 652 A 47 PHE H A 46 GLU HGx 1.0 1.8 5.0 841 653 A 47 PHE HBy A 46 GLU HGy 1.0 1.8 5.0 842 653 A 47 PHE HBy A 46 GLU HGx 1.0 1.8 5.0 843 654 A 48 LYS HBy A 48 LYS HEx 1.0 1.8 5.0 844 654 A 48 LYS HBy A 48 LYS HEy 1.0 1.8 5.0 845 655 A 48 LYS HBx A 48 LYS HEx 1.0 1.8 5.0 846 655 A 48 LYS HBx A 48 LYS HEy 1.0 1.8 5.0 847 656 A 48 LYS HGy A 48 LYS HEx 1.0 1.8 3.5 848 656 A 48 LYS HGy A 48 LYS HEy 1.0 1.8 3.5 849 657 A 48 LYS HGx A 48 LYS HEx 1.0 1.8 5.0 850 657 A 48 LYS HGx A 48 LYS HEy 1.0 1.8 5.0 851 658 A 49 LYS HBy A 49 LYS HDx 1.0 1.8 2.7 852 658 A 49 LYS HBx A 49 LYS HDx 1.0 1.8 2.7 853 658 A 49 LYS HDy A 49 LYS HBx 1.0 1.8 2.7 854 658 A 49 LYS HDy A 49 LYS HBy 1.0 1.8 2.7 855 659 A 49 LYS HBy A 49 LYS HEx 1.0 1.8 5.0 856 659 A 49 LYS HEy A 49 LYS HBx 1.0 1.8 5.0 857 659 A 49 LYS HEy A 49 LYS HBy 1.0 1.8 5.0 858 659 A 49 LYS HBx A 49 LYS HEx 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 39 CYS H A 44 TYR O 1.0 1.8 2.3 2 2 A 44 TYR O A 39 CYS N 1.0 2.7 3.3 3 3 A 36 ARG H A 33 HIS O 1.0 1.8 2.3 4 4 A 33 HIS O A 36 ARG N 1.0 2.7 3.3 5 5 A 33 HIS H A 36 ARG O 1.0 1.8 2.3 6 6 A 36 ARG O A 33 HIS N 1.0 2.7 3.3 7 7 A 37 TYR H A 46 GLU O 1.0 1.8 2.3 8 8 A 46 GLU O A 37 TYR N 1.0 2.7 3.3 9 9 A 46 GLU H A 37 TYR O 1.0 1.8 2.3 10 10 A 37 TYR O A 46 GLU N 1.0 2.7 3.3 11 11 A 38 SER H A 31 ALA O 1.0 1.8 2.3 12 12 A 31 ALA O A 38 SER N 1.0 2.7 3.3 13 13 A 48 LYS H A 35 ASP O 1.0 1.8 2.3 14 14 A 35 ASP O A 48 LYS N 1.0 2.7 3.3 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 18 HIS C A 19 ARG N A 19 ARG CA A 19 ARG C 1.0 -144.0 -60.0 PHI 2 2 A 19 ARG N A 19 ARG CA A 19 ARG C A 20 PHE N 1.0 99.0 179.0 PSI 3 3 A 19 ARG C A 20 PHE N A 20 PHE CA A 20 PHE C 1.0 -130.0 -66.0 PHI 4 4 A 20 PHE N A 20 PHE CA A 20 PHE C A 21 CYS N 1.0 80.0 180.0 PSI 5 5 A 20 PHE C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -176.0 -44.0 PHI 6 6 A 21 CYS N A 21 CYS CA A 21 CYS C A 22 PRO N 1.0 73.0 189.0 PSI 7 7 A 22 PRO C A 23 ARG N A 23 ARG CA A 23 ARG C 1.0 -106.0 -36.0 PHI 8 8 A 23 ARG N A 23 ARG CA A 23 ARG C A 24 CYS N 1.0 -62.0 2.0 PSI 9 9 A 23 ARG C A 24 CYS N A 24 CYS CA A 24 CYS C 1.0 -89.0 -39.0 PHI 10 10 A 24 CYS N A 24 CYS CA A 24 CYS C A 25 GLY N 1.0 -69.0 -2.0 PSI 11 11 A 24 CYS C A 25 GLY N A 25 GLY CA A 25 GLY C 1.0 -114.0 -34.0 PHI 12 12 A 25 GLY N A 25 GLY CA A 25 GLY C A 26 PRO N 1.0 -73.0 35.0 PSI 13 13 A 26 PRO C A 27 GLY N A 27 GLY CA A 27 GLY C 1.0 41.0 131.0 PHI 14 14 A 27 GLY N A 27 GLY CA A 27 GLY C A 28 VAL N 1.0 -24.0 26.0 PSI 15 15 A 27 GLY C A 28 VAL N A 28 VAL CA A 28 VAL C 1.0 -136.0 -68.0 PHI 16 16 A 28 VAL N A 28 VAL CA A 28 VAL C A 29 PHE N 1.0 99.0 151.0 PSI 17 17 A 31 ALA C A 32 GLU N A 32 GLU CA A 32 GLU C 1.0 -129.0 -49.0 PHI 18 18 A 32 GLU N A 32 GLU CA A 32 GLU C A 33 HIS N 1.0 92.0 160.0 PSI 19 19 A 32 GLU C A 33 HIS N A 33 HIS CA A 33 HIS C 1.0 -140.0 -68.0 PHI 20 20 A 33 HIS N A 33 HIS CA A 33 HIS C A 34 ALA N 1.0 69.0 193.0 PSI 21 21 A 33 HIS C A 34 ALA N A 34 ALA CA A 34 ALA C 1.0 -88.0 -38.0 PHI 22 22 A 34 ALA N A 34 ALA CA A 34 ALA C A 35 ASP N 1.0 -49.0 1.0 PSI 23 23 A 34 ALA C A 35 ASP N A 35 ASP CA A 35 ASP C 1.0 -135.0 -51.0 PHI 24 24 A 35 ASP N A 35 ASP CA A 35 ASP C A 36 ARG N 1.0 -43.0 27.0 PSI 25 25 A 35 ASP C A 36 ARG N A 36 ARG CA A 36 ARG C 1.0 -180.0 -104.0 PHI 26 26 A 36 ARG N A 36 ARG CA A 36 ARG C A 37 TYR N 1.0 98.0 190.0 PSI 27 27 A 36 ARG C A 37 TYR N A 37 TYR CA A 37 TYR C 1.0 -151.0 -99.0 PHI 28 28 A 37 TYR N A 37 TYR CA A 37 TYR C A 38 SER N 1.0 116.0 172.0 PSI 29 29 A 37 TYR C A 38 SER N A 38 SER CA A 38 SER C 1.0 -161.0 -93.0 PHI 30 30 A 38 SER N A 38 SER CA A 38 SER C A 39 CYS N 1.0 112.0 162.0 PSI 31 31 A 38 SER C A 39 CYS N A 39 CYS CA A 39 CYS C 1.0 -163.0 -63.0 PHI 32 32 A 39 CYS N A 39 CYS CA A 39 CYS C A 40 GLY N 1.0 87.0 159.0 PSI 33 33 A 43 GLY C A 44 TYR N A 44 TYR CA A 44 TYR C 1.0 -104.0 -48.0 PHI 34 34 A 44 TYR N A 44 TYR CA A 44 TYR C A 45 THR N 1.0 103.0 153.0 PSI 35 35 A 44 TYR C A 45 THR N A 45 THR CA A 45 THR C 1.0 -145.0 -89.0 PHI 36 36 A 45 THR N A 45 THR CA A 45 THR C A 46 GLU N 1.0 108.0 168.0 PSI 37 37 A 45 THR C A 46 GLU N A 46 GLU CA A 46 GLU C 1.0 -162.0 -86.0 PHI 38 38 A 46 GLU N A 46 GLU CA A 46 GLU C A 47 PHE N 1.0 95.0 167.0 PSI 39 39 A 46 GLU C A 47 PHE N A 47 PHE CA A 47 PHE C 1.0 -114.0 -42.0 PHI 40 40 A 47 PHE N A 47 PHE CA A 47 PHE C A 48 LYS N 1.0 106.0 156.0 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 15N 1318.044 2 1H 7002.801 3 1H 70002.801 stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 13280.212 2 1H 11198.208 3 1H 11160.714 stop_ save_