data_nef_c16482_2knx 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 7 CYS SG 1 20 CYS SG 1 14 CYS SG 1 33 CYS SG 1 27 CYS SG 1 45 CYS SG 1 25 TRP O 2 1 CA CA 1 28 ASP OD1 2 1 CA CA 1 30 ASP O 2 1 CA CA 1 32 ASP OD2 2 1 CA CA 1 38 ASP OD1 2 1 CA CA 1 39 GLU OE2 2 1 CA CA 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 GLU middle . . 4 A 4 GLY middle . false 5 A 5 LYS middle . . 6 A 6 THR middle . . 7 A 7 CYS middle -HG . 8 A 8 GLY middle . false 9 A 9 PRO middle . false 10 A 10 SER middle . . 11 A 11 SER middle . . 12 A 12 PHE middle . . 13 A 13 SER middle . . 14 A 14 CYS middle -HG . 15 A 15 PRO middle . false 16 A 16 GLY middle . false 17 A 17 THR middle . . 18 A 18 HIS middle . . 19 A 19 VAL middle . . 20 A 20 CYS middle -HG . 21 A 21 VAL middle . . 22 A 22 PRO middle . false 23 A 23 GLU middle . . 24 A 24 ARG middle . . 25 A 25 TRP middle . . 26 A 26 LEU middle . . 27 A 27 CYS middle -HG . 28 A 28 ASP middle . . 29 A 29 GLY middle . false 30 A 30 ASP middle . . 31 A 31 LYS middle . . 32 A 32 ASP middle . . 33 A 33 CYS middle -HG . 34 A 34 ALA middle . . 35 A 35 ASP middle . . 36 A 36 GLY middle . false 37 A 37 ALA middle . . 38 A 38 ASP middle . . 39 A 39 GLU middle . . 40 A 40 SER middle . . 41 A 41 ILE middle . . 42 A 42 ALA middle . . 43 A 43 ALA middle . . 44 A 44 GLY middle . false 45 A 45 CYS middle -HG . 46 A 46 LEU middle . . 47 A 47 TYR middle . . 48 A 48 ASN middle . . 49 A 49 SER middle . . 50 A 50 THR end . . 51 B 1 CA . . . 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 GLY HAx H 1 3.846 0.003 A 1 GLY HAy H 1 3.846 0.003 A 1 GLY CA C 13 44.274 0.019 A 2 SER HA H 1 4.515 0.002 A 2 SER HBx H 1 3.913 0.002 A 2 SER HBy H 1 3.913 0.002 A 2 SER CA C 13 58.521 0.033 A 2 SER CB C 13 63.800 0.075 A 3 GLU H H 1 8.743 0.009 A 3 GLU HA H 1 4.317 0.006 A 3 GLU HBy H 1 2.090 0.007 A 3 GLU HBx H 1 1.988 0.006 A 3 GLU HGx H 1 2.312 0.005 A 3 GLU HGy H 1 2.312 0.005 A 3 GLU C C 13 178.609 0.000 A 3 GLU CA C 13 57.192 0.067 A 3 GLU CB C 13 29.943 0.026 A 3 GLU CG C 13 36.289 0.014 A 3 GLU N N 15 122.160 0.063 A 4 GLY H H 1 8.390 0.023 A 4 GLY HAx H 1 3.938 0.003 A 4 GLY HAy H 1 3.938 0.003 A 4 GLY CA C 13 45.376 0.045 A 4 GLY N N 15 109.179 0.032 A 5 LYS H H 1 8.124 0.007 A 5 LYS HA H 1 4.406 0.006 A 5 LYS HBy H 1 1.772 0.011 A 5 LYS HBx H 1 1.647 0.012 A 5 LYS HDx H 1 1.416 0.004 A 5 LYS HDy H 1 1.416 0.004 A 5 LYS HEx H 1 2.991 0.012 A 5 LYS HEy H 1 2.991 0.012 A 5 LYS HGy H 1 1.293 0.011 A 5 LYS HGx H 1 1.243 0.009 A 5 LYS CA C 13 56.418 0.033 A 5 LYS CB C 13 33.119 0.044 A 5 LYS CD C 13 29.254 0.020 A 5 LYS CE C 13 42.333 0.048 A 5 LYS CG C 13 25.026 0.047 A 5 LYS N N 15 120.708 0.026 A 6 THR H H 1 7.274 0.003 A 6 THR HA H 1 4.455 0.007 A 6 THR HB H 1 4.299 0.008 A 6 THR HG2% H 1 1.260 0.004 A 6 THR CA C 13 61.959 0.093 A 6 THR CB C 13 70.115 0.049 A 6 THR CG2 C 13 21.686 0.043 A 7 CYS HA H 1 4.687 0.018 A 7 CYS HBy H 1 3.133 0.012 A 7 CYS HBx H 1 2.798 0.009 A 7 CYS CA C 13 55.430 0.232 A 7 CYS CB C 13 39.440 0.082 A 8 GLY H H 1 8.153 0.013 A 8 GLY HAy H 1 4.157 0.006 A 8 GLY HAx H 1 4.117 0.006 A 8 GLY CA C 13 44.759 0.033 A 8 GLY N N 15 107.436 0.091 A 9 PRO HA H 1 4.473 0.006 A 9 PRO HBy H 1 2.376 0.007 A 9 PRO HBx H 1 2.034 0.013 A 9 PRO HDx H 1 3.679 0.004 A 9 PRO HDy H 1 3.679 0.004 A 9 PRO HGx H 1 2.090 0.005 A 9 PRO HGy H 1 2.090 0.005 A 9 PRO C C 13 177.242 0.060 A 9 PRO CA C 13 64.131 0.024 A 9 PRO CB C 13 32.189 0.018 A 9 PRO CD C 13 49.777 0.010 A 9 PRO CG C 13 27.377 0.033 A 10 SER H H 1 8.602 0.012 A 10 SER HA H 1 4.458 0.008 A 10 SER HBx H 1 4.052 0.005 A 10 SER HBy H 1 4.052 0.005 A 10 SER C C 13 173.856 0.060 A 10 SER CA C 13 58.501 0.039 A 10 SER CB C 13 62.707 0.058 A 10 SER N N 15 113.260 0.003 A 11 SER H H 1 7.680 0.006 A 11 SER HA H 1 4.956 0.010 A 11 SER HBx H 1 3.514 0.018 A 11 SER HBy H 1 3.514 0.018 A 11 SER C C 13 171.401 0.060 A 11 SER CA C 13 57.774 0.045 A 11 SER CB C 13 66.184 0.034 A 11 SER N N 15 114.780 0.052 A 12 PHE H H 1 9.421 0.015 A 12 PHE HA H 1 4.821 0.015 A 12 PHE HBy H 1 3.035 0.006 A 12 PHE HBx H 1 2.965 0.011 A 12 PHE HDx H 1 7.161 0.013 A 12 PHE HDy H 1 7.161 0.013 A 12 PHE HEx H 1 7.307 0.015 A 12 PHE HEy H 1 7.307 0.015 A 12 PHE HZ H 1 7.029 0.010 A 12 PHE C C 13 173.866 0.060 A 12 PHE CA C 13 56.572 0.045 A 12 PHE CB C 13 43.517 0.024 A 12 PHE CDx C 13 132.432 0.045 A 12 PHE CEx C 13 130.915 0.045 A 12 PHE CZ C 13 129.349 0.073 A 12 PHE N N 15 124.916 0.050 A 13 SER H H 1 7.948 0.021 A 13 SER HA H 1 4.737 0.004 A 13 SER HBy H 1 3.640 0.003 A 13 SER HBx H 1 3.534 0.012 A 13 SER C C 13 173.910 0.060 A 13 SER CA C 13 56.613 0.032 A 13 SER CB C 13 63.615 0.039 A 13 SER N N 15 121.342 0.045 A 14 CYS H H 1 8.312 0.029 A 14 CYS HA H 1 4.807 0.013 A 14 CYS HBy H 1 3.692 0.007 A 14 CYS HBx H 1 2.980 0.011 A 14 CYS CA C 13 52.881 0.078 A 14 CYS CB C 13 36.099 0.026 A 14 CYS N N 15 126.132 0.040 A 15 PRO HA H 1 4.275 0.004 A 15 PRO HBy H 1 2.326 0.006 A 15 PRO HBx H 1 2.020 0.006 A 15 PRO HDy H 1 4.276 0.008 A 15 PRO HDx H 1 3.927 0.012 A 15 PRO HGy H 1 2.252 0.018 A 15 PRO HGx H 1 2.000 0.004 A 15 PRO CA C 13 64.165 0.050 A 15 PRO CB C 13 32.177 0.009 A 15 PRO CD C 13 51.445 0.037 A 15 PRO CG C 13 27.599 0.040 A 16 GLY HAy H 1 4.199 0.005 A 16 GLY HAx H 1 3.743 0.002 A 16 GLY C C 13 174.145 0.060 A 16 GLY CA C 13 45.802 0.025 A 17 THR H H 1 7.735 0.004 A 17 THR HA H 1 4.791 0.008 A 17 THR HB H 1 4.374 0.005 A 17 THR HG2% H 1 1.190 0.008 A 17 THR CA C 13 60.528 0.011 A 17 THR CB C 13 72.519 0.039 A 17 THR CG2 C 13 21.218 0.028 A 17 THR N N 15 108.874 0.047 A 18 HIS HA H 1 4.538 0.005 A 18 HIS HBy H 1 3.364 0.026 A 18 HIS HBx H 1 3.161 0.049 A 18 HIS HD2 H 1 6.970 0.008 A 18 HIS HE1 H 1 7.841 0.003 A 18 HIS C C 13 176.629 0.060 A 18 HIS CB C 13 29.416 0.219 A 18 HIS CD2 C 13 119.864 0.061 A 18 HIS CE1 C 13 138.086 0.045 A 19 VAL H H 1 7.914 0.012 A 19 VAL HA H 1 4.246 0.007 A 19 VAL HB H 1 2.042 0.007 A 19 VAL HGx% H 1 1.038 0.005 A 19 VAL HGy% H 1 1.064 0.007 A 19 VAL CA C 13 63.521 0.060 A 19 VAL CB C 13 33.904 0.068 A 19 VAL CGx C 13 21.443 0.044 A 19 VAL CGy C 13 21.824 0.041 A 19 VAL N N 15 119.013 0.117 A 20 CYS H H 1 8.844 0.029 A 20 CYS HA H 1 5.520 0.009 A 20 CYS HBy H 1 2.894 0.004 A 20 CYS HBx H 1 2.743 0.007 A 20 CYS CA C 13 53.649 0.045 A 20 CYS CB C 13 42.656 0.048 A 21 VAL H H 1 9.546 0.029 A 21 VAL HA H 1 4.787 0.012 A 21 VAL HB H 1 2.297 0.011 A 21 VAL HGx% H 1 1.149 0.012 A 21 VAL HGy% H 1 1.213 0.009 A 21 VAL CA C 13 58.280 0.060 A 21 VAL CB C 13 34.202 0.033 A 21 VAL CGx C 13 20.837 0.057 A 21 VAL CGy C 13 22.410 0.076 A 21 VAL N N 15 120.700 0.041 A 22 PRO HA H 1 4.363 0.008 A 22 PRO HBy H 1 2.146 0.012 A 22 PRO HBx H 1 1.289 0.011 A 22 PRO HDy H 1 3.039 0.017 A 22 PRO HDx H 1 2.536 0.024 A 22 PRO HGy H 1 1.889 0.029 A 22 PRO HGx H 1 0.748 0.021 A 22 PRO C C 13 177.177 0.060 A 22 PRO CA C 13 62.772 0.038 A 22 PRO CB C 13 32.521 0.023 A 22 PRO CD C 13 48.841 0.015 A 23 GLU H H 1 8.140 0.006 A 23 GLU HA H 1 3.929 0.006 A 23 GLU HBy H 1 2.060 0.005 A 23 GLU HBx H 1 1.969 0.006 A 23 GLU HGx H 1 2.251 0.022 A 23 GLU HGy H 1 2.251 0.022 A 23 GLU C C 13 178.691 0.060 A 23 GLU CA C 13 59.455 0.025 A 23 GLU CB C 13 29.391 0.065 A 23 GLU CG C 13 36.363 0.024 A 23 GLU N N 15 121.344 0.049 A 24 ARG H H 1 8.148 0.006 A 24 ARG HA H 1 4.301 0.013 A 24 ARG HBx H 1 1.907 0.013 A 24 ARG HBy H 1 1.907 0.013 A 24 ARG HDx H 1 3.225 0.014 A 24 ARG HDy H 1 3.225 0.014 A 24 ARG HGy H 1 1.769 0.005 A 24 ARG HGx H 1 1.636 0.005 A 24 ARG C C 13 176.507 0.060 A 24 ARG CA C 13 57.695 0.032 A 24 ARG CB C 13 29.688 0.049 A 24 ARG CD C 13 43.334 0.037 A 24 ARG CG C 13 27.234 0.209 A 24 ARG N N 15 116.183 0.052 A 25 TRP H H 1 8.092 0.011 A 25 TRP HA H 1 5.319 0.005 A 25 TRP HBy H 1 3.922 0.008 A 25 TRP HBx H 1 3.046 0.012 A 25 TRP HD1 H 1 6.862 0.015 A 25 TRP HE1 H 1 9.943 0.010 A 25 TRP HE3 H 1 7.428 0.052 A 25 TRP HH2 H 1 7.258 0.003 A 25 TRP HZ2 H 1 7.364 0.010 A 25 TRP HZ3 H 1 7.231 0.009 A 25 TRP C C 13 177.347 0.060 A 25 TRP CA C 13 54.692 0.060 A 25 TRP CB C 13 28.137 0.063 A 25 TRP CD1 C 13 123.412 0.070 A 25 TRP CE3 C 13 121.335 0.202 A 25 TRP CH2 C 13 125.136 0.118 A 25 TRP CZ2 C 13 114.702 0.049 A 25 TRP CZ3 C 13 121.416 0.056 A 25 TRP N N 15 117.355 0.048 A 25 TRP NE1 N 15 125.951 0.062 A 26 LEU H H 1 7.984 0.007 A 26 LEU HA H 1 4.584 0.011 A 26 LEU HBy H 1 1.924 0.009 A 26 LEU HBx H 1 1.599 0.007 A 26 LEU HDx% H 1 0.433 0.007 A 26 LEU HDy% H 1 0.882 0.014 A 26 LEU HG H 1 1.871 0.012 A 26 LEU C C 13 176.280 0.060 A 26 LEU CA C 13 55.274 0.067 A 26 LEU CB C 13 40.394 0.039 A 26 LEU CDx C 13 22.181 0.025 A 26 LEU CDy C 13 24.683 0.033 A 26 LEU CG C 13 26.793 0.054 A 26 LEU N N 15 125.873 0.053 A 27 CYS H H 1 8.811 0.010 A 27 CYS HA H 1 4.579 0.011 A 27 CYS HBy H 1 3.349 0.012 A 27 CYS HBx H 1 3.122 0.008 A 27 CYS C C 13 175.946 0.000 A 27 CYS CA C 13 54.731 0.078 A 27 CYS CB C 13 34.415 0.024 A 27 CYS N N 15 120.227 0.054 A 28 ASP H H 1 9.697 0.007 A 28 ASP HA H 1 4.833 0.006 A 28 ASP HBy H 1 3.214 0.015 A 28 ASP HBx H 1 2.486 0.007 A 28 ASP C C 13 177.792 0.060 A 28 ASP CA C 13 52.778 0.101 A 28 ASP CB C 13 41.978 0.069 A 28 ASP N N 15 121.331 0.049 A 29 GLY H H 1 9.677 0.015 A 29 GLY HAy H 1 4.319 0.007 A 29 GLY HAx H 1 3.498 0.005 A 29 GLY C C 13 173.393 0.060 A 29 GLY CA C 13 45.510 0.019 A 29 GLY N N 15 111.914 0.040 A 30 ASP H H 1 7.607 0.008 A 30 ASP HA H 1 4.953 0.002 A 30 ASP HBx H 1 2.451 0.016 A 30 ASP HBy H 1 2.451 0.016 A 30 ASP CA C 13 52.374 0.067 A 30 ASP CB C 13 42.462 0.022 A 30 ASP N N 15 118.986 0.051 A 31 LYS HA H 1 4.369 0.011 A 31 LYS HBy H 1 1.943 0.015 A 31 LYS HBx H 1 1.825 0.004 A 31 LYS HDx H 1 1.705 0.005 A 31 LYS HDy H 1 1.705 0.005 A 31 LYS HEx H 1 3.007 0.003 A 31 LYS HEy H 1 3.007 0.003 A 31 LYS HGy H 1 1.682 0.008 A 31 LYS HGx H 1 1.218 0.005 A 31 LYS C C 13 174.085 0.060 A 31 LYS CA C 13 57.447 0.042 A 31 LYS CB C 13 30.875 0.031 A 31 LYS CD C 13 29.663 0.026 A 31 LYS CE C 13 42.017 0.027 A 31 LYS CG C 13 25.708 0.040 A 32 ASP H H 1 10.185 0.008 A 32 ASP HA H 1 4.669 0.008 A 32 ASP HBy H 1 2.928 0.006 A 32 ASP HBx H 1 2.749 0.005 A 32 ASP C C 13 177.832 0.060 A 32 ASP CA C 13 57.071 0.029 A 32 ASP CB C 13 43.713 0.033 A 32 ASP N N 15 129.069 0.062 A 33 CYS H H 1 8.513 0.006 A 33 CYS HA H 1 5.064 0.012 A 33 CYS HBy H 1 3.765 0.015 A 33 CYS HBx H 1 3.031 0.009 A 33 CYS CA C 13 52.573 0.059 A 33 CYS CB C 13 37.995 0.024 A 33 CYS N N 15 117.397 0.046 A 34 ALA HA H 1 4.177 0.004 A 34 ALA HB% H 1 1.549 0.013 A 34 ALA C C 13 178.351 0.060 A 34 ALA CA C 13 55.795 0.046 A 34 ALA CB C 13 18.258 0.030 A 35 ASP H H 1 8.170 0.013 A 35 ASP HA H 1 4.664 0.004 A 35 ASP HBy H 1 3.138 0.013 A 35 ASP HBx H 1 2.645 0.005 A 35 ASP C C 13 178.649 0.060 A 35 ASP CA C 13 52.719 0.030 A 35 ASP CB C 13 40.882 0.028 A 35 ASP N N 15 113.279 0.058 A 36 GLY H H 1 8.389 0.011 A 36 GLY HAy H 1 4.060 0.012 A 36 GLY HAx H 1 3.668 0.008 A 36 GLY C C 13 177.292 0.060 A 36 GLY CA C 13 46.310 0.044 A 36 GLY N N 15 105.842 0.056 A 37 ALA H H 1 8.622 0.014 A 37 ALA HA H 1 4.125 0.005 A 37 ALA HB% H 1 1.900 0.008 A 37 ALA C C 13 179.201 0.060 A 37 ALA CA C 13 56.135 0.032 A 37 ALA CB C 13 19.977 0.042 A 37 ALA N N 15 122.946 0.050 A 38 ASP H H 1 9.788 0.015 A 38 ASP HA H 1 3.745 0.014 A 38 ASP HBy H 1 2.830 0.011 A 38 ASP HBx H 1 2.716 0.010 A 38 ASP C C 13 172.543 0.060 A 38 ASP CA C 13 55.020 0.025 A 38 ASP CB C 13 40.792 0.040 A 38 ASP N N 15 110.881 0.076 A 39 GLU H H 1 7.617 0.011 A 39 GLU HA H 1 4.816 0.011 A 39 GLU HBy H 1 2.558 0.015 A 39 GLU HBx H 1 1.670 0.010 A 39 GLU HGy H 1 2.183 0.008 A 39 GLU HGx H 1 1.958 0.009 A 39 GLU C C 13 175.649 0.060 A 39 GLU CA C 13 54.237 0.068 A 39 GLU CB C 13 30.641 0.041 A 39 GLU CG C 13 36.810 0.046 A 39 GLU N N 15 115.720 0.052 A 40 SER H H 1 7.372 0.006 A 40 SER HA H 1 4.929 0.013 A 40 SER HBy H 1 4.395 0.011 A 40 SER HBx H 1 4.024 0.007 A 40 SER C C 13 176.001 0.060 A 40 SER CA C 13 57.592 0.056 A 40 SER CB C 13 67.911 0.045 A 40 SER N N 15 115.668 0.047 A 41 ILE H H 1 8.764 0.014 A 41 ILE HA H 1 4.137 0.007 A 41 ILE HB H 1 1.964 0.014 A 41 ILE HD1% H 1 0.953 0.010 A 41 ILE HG12 H 1 1.583 0.005 A 41 ILE HG13 H 1 1.330 0.007 A 41 ILE HG2% H 1 1.103 0.013 A 41 ILE C C 13 179.215 0.060 A 41 ILE CA C 13 63.997 0.039 A 41 ILE CB C 13 38.196 0.032 A 41 ILE CD1 C 13 13.664 0.029 A 41 ILE CG1 C 13 28.509 0.035 A 41 ILE CG2 C 13 17.472 0.040 A 41 ILE N N 15 120.825 0.056 A 42 ALA H H 1 8.210 0.012 A 42 ALA HA H 1 4.290 0.014 A 42 ALA HB% H 1 1.619 0.010 A 42 ALA C C 13 178.533 0.000 A 42 ALA CA C 13 54.778 0.062 A 42 ALA CB C 13 18.414 0.035 A 42 ALA N N 15 124.652 0.072 A 43 ALA H H 1 7.428 0.007 A 43 ALA HA H 1 4.302 0.004 A 43 ALA HB% H 1 1.234 0.012 A 43 ALA C C 13 176.592 0.060 A 43 ALA CA C 13 51.772 0.043 A 43 ALA CB C 13 20.036 0.030 A 43 ALA N N 15 118.776 0.054 A 44 GLY H H 1 7.948 0.009 A 44 GLY HAy H 1 4.239 0.010 A 44 GLY HAx H 1 3.729 0.019 A 44 GLY C C 13 174.505 0.060 A 44 GLY CA C 13 44.945 0.057 A 44 GLY N N 15 104.253 0.056 A 45 CYS H H 1 7.378 0.010 A 45 CYS HA H 1 4.681 0.016 A 45 CYS HBy H 1 3.026 0.010 A 45 CYS HBx H 1 2.146 0.009 A 45 CYS C C 13 174.507 0.060 A 45 CYS CA C 13 52.626 0.025 A 45 CYS CB C 13 34.214 0.026 A 45 CYS N N 15 117.649 0.063 A 46 LEU H H 1 8.264 0.007 A 46 LEU HA H 1 4.316 0.007 A 46 LEU HBx H 1 1.524 0.012 A 46 LEU HBy H 1 1.524 0.012 A 46 LEU HDx% H 1 0.867 0.009 A 46 LEU HDy% H 1 0.932 0.013 A 46 LEU HG H 1 1.569 0.016 A 46 LEU C C 13 176.857 0.060 A 46 LEU CA C 13 55.308 0.035 A 46 LEU CB C 13 42.686 0.028 A 46 LEU CDx C 13 23.576 0.030 A 46 LEU CDy C 13 24.995 0.041 A 46 LEU CG C 13 27.118 0.051 A 46 LEU N N 15 122.480 0.057 A 47 TYR H H 1 7.984 0.010 A 47 TYR HA H 1 4.638 0.003 A 47 TYR HBy H 1 3.114 0.004 A 47 TYR HBx H 1 2.954 0.007 A 47 TYR HDx H 1 7.127 0.008 A 47 TYR HDy H 1 7.127 0.008 A 47 TYR HEx H 1 6.851 0.008 A 47 TYR HEy H 1 6.851 0.008 A 47 TYR CA C 13 57.349 0.033 A 47 TYR CB C 13 38.930 0.029 A 47 TYR CDx C 13 133.349 0.064 A 47 TYR CEx C 13 118.196 0.033 A 47 TYR N N 15 119.022 0.048 A 48 ASN H H 1 8.344 0.005 A 48 ASN HA H 1 4.842 0.006 A 48 ASN HBy H 1 2.859 0.005 A 48 ASN HBx H 1 2.737 0.003 A 48 ASN HD2y H 1 7.599 0.003 A 48 ASN HD2x H 1 6.893 0.003 A 48 ASN C C 13 178.355 0.060 A 48 ASN CA C 13 53.087 0.035 A 48 ASN CB C 13 39.291 0.023 A 48 ASN N N 15 119.774 0.026 A 48 ASN ND2 N 15 111.834 0.274 A 49 SER H H 1 8.200 0.018 A 49 SER HA H 1 4.553 0.001 A 49 SER HBx H 1 3.950 0.007 A 49 SER HBy H 1 3.950 0.007 A 49 SER C C 13 173.999 0.060 A 49 SER CA C 13 58.526 0.034 A 49 SER CB C 13 64.158 0.086 A 49 SER N N 15 116.108 0.094 A 50 THR H H 1 7.844 0.009 A 50 THR HA H 1 4.223 0.003 A 50 THR HB H 1 4.297 0.003 A 50 THR HG2% H 1 1.218 0.002 A 50 THR CA C 13 63.391 0.045 A 50 THR CB C 13 70.831 0.018 A 50 THR CG2 C 13 22.135 0.016 A 50 THR N N 15 120.143 0.054 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 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 42 ALA HA A 42 ALA H 1.0 1.941 4.677 2 2 A 42 ALA H A 40 SER HBy 1.0 1.998 5.712 3 2 A 42 ALA H A 40 SER HBx 1.0 1.998 5.712 4 3 A 38 ASP H A 39 GLU HBy 1.0 1.970 5.052 5 3 A 39 GLU HBx A 38 ASP H 1.0 1.970 5.052 6 4 A 38 ASP H A 38 ASP HBy 1.0 1.765 3.495 7 4 A 38 ASP H A 38 ASP HBx 1.0 1.765 3.495 8 5 A 38 ASP H A 33 CYS HBy 1.0 1.726 3.312 9 5 A 38 ASP H A 33 CYS HBx 1.0 1.726 3.312 10 6 A 38 ASP H A 36 GLY HAy 1.0 1.908 4.374 11 6 A 38 ASP H A 36 GLY HAx 1.0 1.908 4.374 12 7 A 12 PHE H A 12 PHE HBy 1.0 1.892 4.248 13 7 A 12 PHE HBx A 12 PHE H 1.0 1.892 4.248 14 8 A 12 PHE H A 11 SER HA 1.0 1.811 3.731 15 9 A 12 PHE H A 12 PHE HA 1.0 1.990 5.438 16 10 A 12 PHE H A 22 PRO HA 1.0 1.998 6.250 17 11 A 29 GLY H A 29 GLY HAy 1.0 1.645 2.985 18 11 A 29 GLY HAx A 29 GLY H 1.0 1.645 2.985 19 12 A 29 GLY H A 28 ASP HBy 1.0 1.980 5.226 20 12 A 29 GLY H A 28 ASP HBx 1.0 1.980 5.226 21 13 A 26 LEU H A 21 VAL HGy% 1.0 1.916 4.446 22 14 A 26 LEU H A 25 TRP HBy 1.0 1.954 4.824 23 14 A 26 LEU H A 25 TRP HBx 1.0 1.954 4.824 24 15 A 26 LEU H A 26 LEU HBy 1.0 1.641 3.371 25 15 A 26 LEU H A 26 LEU HBx 1.0 1.641 3.371 26 16 A 25 TRP HE1 A 5 LYS HGy 1.0 1.998 6.212 27 16 A 25 TRP HE1 A 5 LYS HGx 1.0 1.998 6.212 28 17 A 25 TRP HE1 A 5 LYS HBy 1.0 1.998 6.012 29 17 A 25 TRP HE1 A 5 LYS HBx 1.0 1.998 6.012 30 18 A 25 TRP HE1 A 25 TRP HH2 1.0 1.976 5.164 31 19 A 14 CYS H A 14 CYS HBy 1.0 1.999 5.823 32 19 A 14 CYS HBx A 14 CYS H 1.0 1.999 5.823 33 20 A 14 CYS H A 13 SER HA 1.0 1.957 4.865 34 21 A 35 ASP H A 34 ALA HB% 1.0 1.708 3.238 35 22 A 33 CYS HBy A 35 ASP H 1.0 1.776 3.546 36 22 A 33 CYS HBx A 35 ASP H 1.0 1.776 3.546 37 23 A 35 ASP H A 35 ASP HBy 1.0 1.755 3.447 38 23 A 35 ASP H A 35 ASP HBx 1.0 1.755 3.447 39 24 A 36 GLY HAy A 35 ASP H 1.0 1.937 4.645 40 24 A 36 GLY HAx A 35 ASP H 1.0 1.937 4.645 41 25 A 35 ASP H A 35 ASP HA 1.0 1.779 3.559 42 26 A 35 ASP H A 34 ALA HA 1.0 1.882 4.176 43 27 A 11 SER H A 10 SER HBx 1.0 1.889 4.229 44 27 A 10 SER HBy A 11 SER H 1.0 1.889 4.229 45 28 A 11 SER H A 9 PRO HA 1.0 1.966 5.302 46 29 A 11 SER H A 11 SER HBx 1.0 1.724 3.304 47 29 A 11 SER H A 11 SER HBy 1.0 1.724 3.304 48 30 A 32 ASP H A 31 LYS HGy 1.0 1.898 4.288 49 30 A 31 LYS HGx A 32 ASP H 1.0 1.898 4.288 50 31 A 32 ASP H A 31 LYS HBy 1.0 1.849 3.953 51 31 A 32 ASP H A 31 LYS HBx 1.0 1.849 3.953 52 32 A 32 ASP H A 39 GLU HGy 1.0 1.858 4.006 53 32 A 32 ASP H A 39 GLU HGx 1.0 1.858 4.006 54 33 A 32 ASP H A 32 ASP HBy 1.0 1.727 3.317 55 33 A 32 ASP H A 32 ASP HBx 1.0 1.727 3.317 56 34 A 36 GLY HAy A 32 ASP H 1.0 1.947 4.747 57 34 A 36 GLY HAx A 32 ASP H 1.0 1.947 4.747 58 35 A 33 CYS HBy A 32 ASP H 1.0 1.944 4.712 59 35 A 33 CYS HBx A 32 ASP H 1.0 1.944 4.712 60 36 A 32 ASP H A 33 CYS HA 1.0 1.994 6.440 61 37 A 32 ASP H A 31 LYS HDx 1.0 2.000 5.948 62 37 A 32 ASP H A 31 LYS HDy 1.0 2.000 5.948 63 38 A 32 ASP H A 21 VAL HGx% 1.0 2.000 6.148 64 39 A 21 VAL HGy% A 32 ASP H 1.0 1.999 5.823 65 40 A 40 SER H A 43 ALA HB% 1.0 1.710 3.242 66 41 A 39 GLU HBy A 40 SER H 1.0 1.853 3.979 67 41 A 39 GLU HBx A 40 SER H 1.0 1.853 3.979 68 42 A 40 SER H A 45 CYS HBy 1.0 1.922 4.498 69 42 A 40 SER H A 45 CYS HBx 1.0 1.922 4.498 70 43 A 39 GLU HGy A 40 SER H 1.0 1.980 5.226 71 43 A 39 GLU HGx A 40 SER H 1.0 1.980 5.226 72 44 A 38 ASP HBy A 40 SER H 1.0 2.000 6.088 73 44 A 38 ASP HBx A 40 SER H 1.0 2.000 6.088 74 45 A 40 SER H A 39 GLU HA 1.0 1.786 3.594 75 46 A 40 SER H A 37 ALA HA 1.0 1.811 3.731 76 47 A 40 SER H A 40 SER HA 1.0 1.686 3.146 77 48 A 40 SER HBy A 40 SER H 1.0 1.593 2.797 78 48 A 40 SER HBx A 40 SER H 1.0 1.593 2.797 79 49 A 31 LYS HGy A 39 GLU H 1.0 2.000 6.088 80 49 A 31 LYS HGx A 39 GLU H 1.0 2.000 6.088 81 50 A 33 CYS HBy A 39 GLU H 1.0 1.983 5.291 82 50 A 33 CYS HBx A 39 GLU H 1.0 1.983 5.291 83 51 A 39 GLU HBy A 39 GLU H 1.0 1.619 2.891 84 51 A 39 GLU HBx A 39 GLU H 1.0 1.619 2.891 85 52 A 39 GLU HGy A 39 GLU H 1.0 1.745 3.399 86 52 A 39 GLU HGx A 39 GLU H 1.0 1.745 3.399 87 53 A 38 ASP HBy A 39 GLU H 1.0 1.934 4.612 88 53 A 38 ASP HBx A 39 GLU H 1.0 1.934 4.612 89 54 A 36 GLY HAy A 39 GLU H 1.0 1.892 4.248 90 54 A 36 GLY HAx A 39 GLU H 1.0 1.892 4.248 91 55 A 39 GLU HA A 39 GLU H 1.0 1.783 3.579 92 56 A 37 ALA HA A 39 GLU H 1.0 1.887 4.211 93 57 A 39 GLU H A 31 LYS HA 1.0 1.944 4.712 94 58 A 40 SER HBy A 39 GLU H 1.0 1.875 4.125 95 58 A 40 SER HBx A 39 GLU H 1.0 1.875 4.125 96 59 A 33 CYS H A 37 ALA HB% 1.0 1.976 5.164 97 60 A 31 LYS HGy A 33 CYS H 1.0 1.998 5.712 98 60 A 31 LYS HGx A 33 CYS H 1.0 1.998 5.712 99 61 A 31 LYS HBy A 33 CYS H 1.0 1.913 4.421 100 61 A 31 LYS HBx A 33 CYS H 1.0 1.913 4.421 101 62 A 39 GLU HGy A 33 CYS H 1.0 1.987 5.361 102 62 A 39 GLU HGx A 33 CYS H 1.0 1.987 5.361 103 63 A 33 CYS HBy A 33 CYS H 1.0 1.552 2.660 104 63 A 33 CYS HBx A 33 CYS H 1.0 1.552 2.660 105 64 A 38 ASP HBy A 33 CYS H 1.0 1.898 4.288 106 64 A 38 ASP HBx A 33 CYS H 1.0 1.898 4.288 107 65 A 32 ASP HBy A 33 CYS H 1.0 1.772 3.526 108 65 A 32 ASP HBx A 33 CYS H 1.0 1.772 3.526 109 66 A 36 GLY HAy A 33 CYS H 1.0 1.858 4.006 110 66 A 36 GLY HAx A 33 CYS H 1.0 1.858 4.006 111 67 A 45 CYS H A 41 ILE HG2% 1.0 1.990 5.438 112 68 A 45 CYS HBy A 45 CYS H 1.0 1.569 2.715 113 68 A 45 CYS HBx A 45 CYS H 1.0 1.569 2.715 114 69 A 45 CYS H A 41 ILE HB 1.0 1.996 5.612 115 70 A 45 CYS H A 44 GLY HAy 1.0 1.715 3.265 116 70 A 45 CYS H A 44 GLY HAx 1.0 1.715 3.265 117 71 A 45 CYS H A 45 CYS HA 1.0 1.736 3.354 118 72 A 44 GLY H A 41 ILE HD1% 1.0 2.000 5.948 119 73 A 45 CYS HBy A 44 GLY H 1.0 1.908 4.374 120 73 A 45 CYS HBx A 44 GLY H 1.0 1.908 4.374 121 74 A 44 GLY HAy A 44 GLY H 1.0 1.483 2.449 122 74 A 44 GLY HAx A 44 GLY H 1.0 1.483 2.449 123 75 A 44 GLY H A 43 ALA HA 1.0 1.781 3.573 124 76 A 42 ALA HA A 44 GLY H 1.0 1.865 4.063 125 77 A 44 GLY H A 41 ILE HA 1.0 1.771 3.519 126 78 A 45 CYS HBy A 43 ALA H 1.0 1.966 5.002 127 78 A 45 CYS HBx A 43 ALA H 1.0 1.966 5.002 128 79 A 41 ILE HB A 43 ALA H 1.0 2.000 5.948 129 80 A 44 GLY HAy A 43 ALA H 1.0 1.877 4.241 130 80 A 44 GLY HAx A 43 ALA H 1.0 1.877 4.241 131 81 A 42 ALA HA A 43 ALA H 1.0 1.832 3.848 132 82 A 41 ILE HA A 43 ALA H 1.0 1.877 4.141 133 83 A 40 SER HBy A 43 ALA H 1.0 1.944 4.712 134 83 A 40 SER HBx A 43 ALA H 1.0 1.944 4.712 135 84 A 39 GLU HGy A 30 ASP H 1.0 1.957 4.865 136 84 A 39 GLU HGx A 30 ASP H 1.0 1.957 4.865 137 85 A 30 ASP H A 30 ASP HBx 1.0 1.604 2.836 138 85 A 30 ASP H A 30 ASP HBy 1.0 1.604 2.836 139 86 A 29 GLY HAy A 30 ASP H 1.0 1.676 3.102 140 86 A 29 GLY HAx A 30 ASP H 1.0 1.676 3.102 141 87 A 47 TYR H A 47 TYR HBy 1.0 1.964 4.954 142 87 A 47 TYR H A 47 TYR HBx 1.0 1.964 4.954 143 88 A 47 TYR H A 46 LEU HA 1.0 1.973 5.107 144 89 A 34 ALA HB% A 36 GLY H 1.0 1.927 4.553 145 90 A 37 ALA HB% A 36 GLY H 1.0 1.941 4.677 146 91 A 31 LYS HGy A 36 GLY H 1.0 1.873 4.109 147 91 A 31 LYS HGx A 36 GLY H 1.0 1.873 4.109 148 92 A 31 LYS HDx A 36 GLY H 1.0 1.834 4.260 149 92 A 31 LYS HDy A 36 GLY H 1.0 1.834 4.260 150 93 A 31 LYS HBy A 36 GLY H 1.0 1.834 3.860 151 93 A 31 LYS HBx A 36 GLY H 1.0 1.834 3.860 152 94 A 33 CYS HBy A 36 GLY H 1.0 1.702 3.212 153 94 A 33 CYS HBx A 36 GLY H 1.0 1.702 3.212 154 95 A 35 ASP HBy A 36 GLY H 1.0 1.905 4.351 155 95 A 35 ASP HBx A 36 GLY H 1.0 1.905 4.351 156 96 A 36 GLY HAy A 36 GLY H 1.0 1.488 2.466 157 96 A 36 GLY HAx A 36 GLY H 1.0 1.488 2.466 158 97 A 35 ASP HA A 36 GLY H 1.0 1.805 3.695 159 98 A 31 LYS HA A 36 GLY H 1.0 1.973 5.107 160 99 A 34 ALA HA A 36 GLY H 1.0 1.880 4.158 161 100 A 27 CYS H A 26 LEU HDy% 1.0 1.980 5.226 162 101 A 27 CYS H A 26 LEU HG 1.0 1.964 5.254 163 102 A 39 GLU HBy A 27 CYS H 1.0 2.000 5.948 164 102 A 39 GLU HBx A 27 CYS H 1.0 2.000 5.948 165 103 A 27 CYS H A 27 CYS HBy 1.0 1.779 3.559 166 103 A 27 CYS H A 27 CYS HBx 1.0 1.779 3.559 167 104 A 38 ASP HBy A 27 CYS H 1.0 1.765 3.495 168 104 A 38 ASP HBx A 27 CYS H 1.0 1.765 3.495 169 105 A 50 THR H A 49 SER HA 1.0 1.843 3.917 170 106 A 50 THR H A 49 SER HBx 1.0 1.990 5.438 171 106 A 50 THR H A 49 SER HBy 1.0 1.990 5.438 172 107 A 50 THR H A 48 ASN HBy 1.0 1.998 6.250 173 107 A 50 THR H A 48 ASN HBx 1.0 1.998 6.250 174 108 A 50 THR H A 50 THR HA 1.0 1.999 5.823 175 109 A 41 ILE HB A 41 ILE H 1.0 1.944 4.712 176 110 A 40 SER HA A 41 ILE H 1.0 1.966 5.002 177 111 A 40 SER HBy A 41 ILE H 1.0 1.925 4.525 178 111 A 40 SER HBx A 41 ILE H 1.0 1.925 4.525 179 112 A 41 ILE HG2% A 41 ILE H 1.0 1.993 5.521 180 113 A 41 ILE H A 41 ILE HG12 1.0 1.999 5.823 181 113 A 41 ILE H A 41 ILE HG13 1.0 1.999 5.823 182 114 A 27 CYS HBy A 28 ASP H 1.0 1.864 4.048 183 114 A 27 CYS HBx A 28 ASP H 1.0 1.864 4.048 184 115 A 28 ASP HBy A 28 ASP H 1.0 1.783 3.579 185 115 A 28 ASP HBx A 28 ASP H 1.0 1.783 3.579 186 116 A 38 ASP HBy A 28 ASP H 1.0 1.996 5.612 187 116 A 38 ASP HBx A 28 ASP H 1.0 1.996 5.612 188 117 A 29 GLY HAy A 28 ASP H 1.0 1.849 4.083 189 117 A 29 GLY HAx A 28 ASP H 1.0 1.849 4.083 190 118 A 28 ASP H A 28 ASP HA 1.0 1.811 3.731 191 119 A 23 GLU H A 23 GLU HBy 1.0 1.686 3.142 192 119 A 23 GLU HBx A 23 GLU H 1.0 1.686 3.142 193 120 A 23 GLU H A 22 PRO HBy 1.0 1.973 5.107 194 120 A 23 GLU H A 22 PRO HBx 1.0 1.973 5.107 195 121 A 11 SER HBx A 23 GLU H 1.0 1.947 4.897 196 121 A 11 SER HBy A 23 GLU H 1.0 1.947 4.897 197 122 A 12 PHE HBy A 13 SER H 1.0 1.990 5.438 198 122 A 12 PHE HBx A 13 SER H 1.0 1.990 5.438 199 123 A 12 PHE HA A 13 SER H 1.0 1.616 2.876 200 124 A 13 SER H A 13 SER HBy 1.0 1.585 2.971 201 124 A 13 SER H A 13 SER HBx 1.0 1.585 2.971 202 125 A 46 LEU HG A 46 LEU H 1.0 1.922 4.498 203 126 A 45 CYS HBy A 46 LEU H 1.0 1.823 3.797 204 126 A 45 CYS HBx A 46 LEU H 1.0 1.823 3.797 205 127 A 46 LEU H A 46 LEU HBx 1.0 1.765 3.495 206 127 A 46 LEU H A 46 LEU HBy 1.0 1.765 3.495 207 128 A 45 CYS HA A 46 LEU H 1.0 1.736 3.354 208 129 A 46 LEU HA A 46 LEU H 1.0 1.877 4.141 209 130 A 17 THR H A 16 GLY HAy 1.0 1.858 4.006 210 130 A 16 GLY HAx A 17 THR H 1.0 1.858 4.006 211 131 A 17 THR H A 17 THR HA 1.0 1.875 4.125 212 132 A 17 THR H A 15 PRO HA 1.0 1.973 5.107 213 133 A 17 THR H A 17 THR HB 1.0 1.998 5.712 214 134 A 33 CYS HBy A 37 ALA H 1.0 1.608 2.852 215 134 A 33 CYS HBx A 37 ALA H 1.0 1.608 2.852 216 135 A 35 ASP HBy A 37 ALA H 1.0 1.922 4.498 217 135 A 35 ASP HBx A 37 ALA H 1.0 1.922 4.498 218 136 A 36 GLY HAy A 37 ALA H 1.0 1.764 3.488 219 136 A 36 GLY HAx A 37 ALA H 1.0 1.764 3.488 220 137 A 37 ALA H A 15 PRO HDy 1.0 1.927 4.553 221 137 A 37 ALA H A 15 PRO HDx 1.0 1.927 4.553 222 138 A 40 SER HBy A 37 ALA H 1.0 1.983 5.291 223 138 A 40 SER HBx A 37 ALA H 1.0 1.983 5.291 224 139 A 17 THR HB A 19 VAL H 1.0 1.959 4.893 225 140 A 6 THR HB A 6 THR H 1.0 1.993 6.507 226 141 A 6 THR HB A 7 CYS HBx 1.0 1.985 6.711 227 142 A 11 SER HBx A 6 THR HB 1.0 1.999 6.183 228 142 A 11 SER HBy A 6 THR HB 1.0 1.999 6.183 229 143 A 40 SER HBy A 41 ILE HD1% 1.0 1.981 6.803 230 144 A 40 SER HBy A 40 SER HA 1.0 1.674 3.094 231 145 A 40 SER HBy A 39 GLU H 1.0 1.949 7.333 232 146 A 40 SER HBy A 41 ILE H 1.0 1.990 6.584 233 147 A 40 SER HBx A 37 ALA H 1.0 1.999 5.787 234 148 A 40 SER HBx A 40 SER H 1.0 1.669 3.075 235 149 A 40 SER HBx A 12 PHE HZ 1.0 1.973 6.957 236 150 A 40 SER HBx A 40 SER HA 1.0 1.532 2.598 237 151 A 40 SER HBx A 40 SER HBy 1.0 1.311 1.995 238 152 A 40 SER HBx A 37 ALA HB% 1.0 1.870 4.090 239 153 A 40 SER HBx A 42 ALA HB% 1.0 1.941 4.695 240 154 A 40 SER HBx A 39 GLU H 1.0 1.963 4.947 241 155 A 11 SER HBx A 7 CYS HBy 1.0 1.681 3.125 242 155 A 11 SER HBy A 7 CYS HBy 1.0 1.681 3.125 243 156 A 22 PRO HA A 11 SER HBx 1.0 1.832 4.350 244 156 A 22 PRO HA A 11 SER HBy 1.0 1.832 4.350 245 157 A 11 SER HA A 11 SER HBx 1.0 1.563 2.695 246 157 A 11 SER HA A 11 SER HBy 1.0 1.563 2.695 247 158 A 11 SER HBx A 20 CYS HA 1.0 1.970 5.048 248 158 A 11 SER HBy A 20 CYS HA 1.0 1.970 5.048 249 159 A 11 SER HBx A 8 GLY H 1.0 1.948 4.762 250 159 A 11 SER HBy A 8 GLY H 1.0 1.948 4.762 251 160 A 12 PHE H A 11 SER HBx 1.0 1.730 3.332 252 160 A 12 PHE H A 11 SER HBy 1.0 1.730 3.332 253 161 A 14 CYS H A 11 SER HBx 1.0 1.966 7.070 254 161 A 14 CYS H A 11 SER HBy 1.0 1.966 7.070 255 162 A 11 SER HBx A 20 CYS HBy 1.0 1.734 3.946 256 162 A 11 SER HBy A 20 CYS HBy 1.0 1.734 3.946 257 163 A 9 PRO HA A 9 PRO HBy 1.0 1.720 3.286 258 164 A 41 ILE HA A 41 ILE H 1.0 1.995 5.593 259 165 A 5 LYS HBx A 2 SER HBx 1.0 1.999 6.155 260 165 A 5 LYS HBx A 2 SER HBy 1.0 1.999 6.155 261 166 A 41 ILE HA A 41 ILE HG13 1.0 1.749 3.417 262 167 A 41 ILE HA A 41 ILE HG12 1.0 1.769 3.515 263 168 A 41 ILE HB A 41 ILE HA 1.0 1.574 2.732 264 169 A 10 SER HBx A 23 GLU HBx 1.0 1.760 3.968 265 169 A 10 SER HBy A 23 GLU HBx 1.0 1.760 3.968 266 170 A 10 SER HBx A 10 SER HA 1.0 1.427 2.291 267 170 A 10 SER HBy A 10 SER HA 1.0 1.427 2.291 268 171 A 10 SER HBx A 23 GLU H 1.0 1.999 5.807 269 171 A 10 SER HBy A 23 GLU H 1.0 1.999 5.807 270 172 A 11 SER HA A 22 PRO HA 1.0 1.868 4.082 271 173 A 22 PRO HA A 22 PRO HBx 1.0 1.968 5.022 272 174 A 22 PRO HA A 22 PRO HBy 1.0 1.860 4.024 273 175 A 23 GLU HA A 26 LEU HDx% 1.0 1.842 3.906 274 176 A 26 LEU HBx A 23 GLU HA 1.0 1.834 3.862 275 177 A 23 GLU HA A 23 GLU HGx 1.0 1.682 3.126 276 177 A 23 GLU HA A 23 GLU HGy 1.0 1.682 3.126 277 178 A 23 GLU HBx A 23 GLU HA 1.0 1.577 2.747 278 179 A 26 LEU HG A 23 GLU HA 1.0 1.505 2.515 279 180 A 23 GLU HA A 12 PHE HDx 1.0 2.000 6.246 280 181 A 23 GLU H A 23 GLU HA 1.0 1.629 2.925 281 182 A 26 LEU H A 23 GLU HA 1.0 1.806 3.702 282 183 A 11 SER HA A 23 GLU HA 1.0 1.978 5.184 283 184 A 13 SER HBy A 20 CYS HBx 1.0 1.997 5.695 284 185 A 13 SER HBx A 20 CYS HBx 1.0 1.992 5.502 285 186 A 13 SER HBy A 20 CYS HA 1.0 1.995 6.399 286 187 A 13 SER HBx A 20 CYS HA 1.0 2.000 5.932 287 188 A 13 SER H A 13 SER HBy 1.0 1.703 3.213 288 189 A 13 SER H A 13 SER HBx 1.0 1.674 3.296 289 190 A 14 CYS H A 13 SER HBy 1.0 1.997 5.677 290 191 A 14 CYS H A 13 SER HBx 1.0 1.997 5.695 291 192 A 13 SER HBx A 12 PHE HDx 1.0 1.978 6.852 292 193 A 13 SER HBx A 12 PHE HEx 1.0 1.963 7.131 293 194 A 24 ARG HA A 24 ARG HBx 1.0 1.873 4.111 294 194 A 24 ARG HA A 24 ARG HBy 1.0 1.873 4.111 295 195 A 39 GLU HGy A 31 LYS HA 1.0 1.828 3.828 296 196 A 31 LYS HGy A 31 LYS HA 1.0 1.788 3.606 297 197 A 39 GLU HGx A 31 LYS HA 1.0 1.756 3.450 298 198 A 32 ASP HBx A 31 LYS HA 1.0 1.975 5.333 299 199 A 39 GLU HBy A 31 LYS HA 1.0 2.000 5.910 300 200 A 36 GLY HAx A 31 LYS HA 1.0 1.987 5.379 301 201 A 47 TYR HA A 47 TYR HDx 1.0 1.389 11.033 302 202 A 36 GLY HAy A 31 LYS HA 1.0 2.000 6.050 303 203 A 3 GLU HA A 3 GLU HGx 1.0 1.925 4.525 304 203 A 3 GLU HA A 3 GLU HGy 1.0 1.925 4.525 305 204 A 37 ALA HA A 15 PRO HGy 1.0 1.994 5.578 306 205 A 37 ALA HA A 12 PHE HZ 1.0 1.987 6.667 307 206 A 38 ASP H A 37 ALA HA 1.0 1.897 4.283 308 207 A 37 ALA HA A 42 ALA HB% 1.0 1.919 4.471 309 208 A 34 ALA HA A 33 CYS HA 1.0 1.996 6.366 310 209 A 46 LEU HA A 46 LEU HDy% 1.0 1.702 3.212 311 210 A 43 ALA HB% A 26 LEU HA 1.0 1.746 9.106 312 211 A 26 LEU HDx% A 26 LEU HA 1.0 1.983 6.757 313 212 A 25 TRP HA A 25 TRP HD1 1.0 1.765 3.495 314 213 A 25 TRP HA A 25 TRP HE3 1.0 1.977 5.163 315 214 A 25 TRP HA A 25 TRP H 1.0 1.844 3.924 316 215 A 28 ASP HA A 25 TRP HA 1.0 2.000 5.932 317 216 A 25 TRP HBx A 25 TRP HA 1.0 1.916 4.444 318 217 A 25 TRP HA A 24 ARG HGx 1.0 2.000 6.026 319 218 A 24 ARG HBx A 25 TRP HA 1.0 1.999 6.183 320 218 A 24 ARG HBy A 25 TRP HA 1.0 1.999 6.183 321 219 A 26 LEU HDx% A 38 ASP HA 1.0 1.661 3.043 322 220 A 26 LEU HDy% A 38 ASP HA 1.0 1.925 4.521 323 221 A 37 ALA HB% A 38 ASP HA 1.0 1.833 3.857 324 222 A 38 ASP HBy A 38 ASP HA 1.0 1.576 2.742 325 223 A 38 ASP HBx A 38 ASP HA 1.0 1.566 2.708 326 224 A 39 GLU H A 38 ASP HA 1.0 1.862 4.034 327 225 A 12 PHE HEx A 38 ASP HA 1.0 1.749 3.415 328 226 A 27 CYS H A 38 ASP HA 1.0 2.000 6.128 329 227 A 38 ASP H A 38 ASP HA 1.0 1.755 3.445 330 228 A 12 PHE HDx A 38 ASP HA 1.0 1.884 4.190 331 229 A 20 CYS HA A 20 CYS HBy 1.0 1.805 3.695 332 230 A 20 CYS HA A 20 CYS HBx 1.0 1.835 3.867 333 231 A 14 CYS H A 20 CYS HA 1.0 1.987 5.367 334 232 A 20 CYS HA A 21 VAL H 1.0 1.745 3.397 335 233 A 15 PRO HDx A 15 PRO HGy 1.0 1.542 2.630 336 234 A 14 CYS HBx A 15 PRO HDy 1.0 1.969 5.039 337 235 A 14 CYS HBx A 15 PRO HDx 1.0 1.896 4.276 338 236 A 15 PRO HDx A 15 PRO HDy 1.0 1.335 2.053 339 237 A 15 PRO HDx A 12 PHE HEx 1.0 1.816 3.760 340 238 A 15 PRO HDx A 12 PHE HZ 1.0 1.904 4.344 341 239 A 43 ALA HA A 12 PHE HZ 1.0 1.904 4.344 342 240 A 37 ALA H A 15 PRO HDx 1.0 1.988 5.392 343 241 A 38 ASP H A 15 PRO HDx 1.0 1.999 5.889 344 242 A 9 PRO HGy A 9 PRO HDx 1.0 1.387 2.185 345 242 A 9 PRO HGx A 9 PRO HDx 1.0 1.387 2.185 346 242 A 9 PRO HDy A 9 PRO HGx 1.0 1.387 2.185 347 242 A 9 PRO HDy A 9 PRO HGy 1.0 1.387 2.185 348 243 A 9 PRO HDx A 8 GLY HAy 1.0 1.415 2.257 349 243 A 9 PRO HDy A 8 GLY HAy 1.0 1.415 2.257 350 244 A 9 PRO HA A 9 PRO HDx 1.0 1.806 3.704 351 244 A 9 PRO HA A 9 PRO HDy 1.0 1.806 3.704 352 245 A 36 GLY HAy A 31 LYS HGx 1.0 1.723 3.299 353 246 A 36 GLY HAx A 31 LYS HGx 1.0 1.726 3.512 354 247 A 36 GLY HAy A 39 GLU HGy 1.0 1.999 6.183 355 248 A 36 GLY HAx A 31 LYS HEx 1.0 1.872 4.106 356 248 A 36 GLY HAx A 31 LYS HEy 1.0 1.872 4.106 357 249 A 36 GLY HAx A 36 GLY HAy 1.0 1.379 2.163 358 250 A 36 GLY HAy A 39 GLU H 1.0 2.000 5.868 359 251 A 36 GLY HAy A 37 ALA H 1.0 1.881 4.171 360 252 A 36 GLY HAx A 39 GLU H 1.0 1.994 5.562 361 253 A 36 GLY HAx A 37 ALA H 1.0 1.867 4.069 362 254 A 38 ASP H A 36 GLY HAx 1.0 1.940 4.672 363 255 A 36 GLY HAy A 32 ASP H 1.0 1.997 6.301 364 256 A 38 ASP H A 36 GLY HAy 1.0 1.986 5.354 365 257 A 16 GLY HAy A 17 THR HG2% 1.0 1.946 4.944 366 258 A 16 GLY HAx A 17 THR HG2% 1.0 1.977 5.463 367 259 A 16 GLY HAx A 16 GLY HAy 1.0 1.357 2.109 368 260 A 17 THR H A 16 GLY HAy 1.0 1.995 5.609 369 261 A 29 GLY HAx A 29 GLY H 1.0 1.579 2.749 370 262 A 29 GLY HAx A 29 GLY HAy 1.0 1.341 2.067 371 263 A 3 GLU HGx A 4 GLY HAx 1.0 1.994 5.578 372 263 A 3 GLU HGy A 4 GLY HAx 1.0 1.994 5.578 373 263 A 3 GLU HGx A 4 GLY HAy 1.0 1.994 5.578 374 263 A 3 GLU HGy A 4 GLY HAy 1.0 1.994 5.578 375 264 A 44 GLY HAx A 44 GLY HAy 1.0 1.325 2.027 376 265 A 44 GLY HAy A 44 GLY H 1.0 1.661 3.045 377 266 A 9 PRO HDx A 8 GLY HAx 1.0 1.532 2.598 378 266 A 9 PRO HDy A 8 GLY HAx 1.0 1.532 2.598 379 267 A 32 ASP HBx A 32 ASP HBy 1.0 1.556 2.674 380 268 A 21 VAL HGy% A 32 ASP HBx 1.0 1.729 3.325 381 269 A 32 ASP HBx A 21 VAL HB 1.0 1.999 5.807 382 270 A 32 ASP HBx A 25 TRP HE3 1.0 1.928 4.550 383 271 A 32 ASP HBx A 25 TRP HZ3 1.0 1.966 5.596 384 272 A 12 PHE HBy A 26 LEU HDx% 1.0 1.872 4.098 385 273 A 12 PHE HBx A 26 LEU HDx% 1.0 1.879 4.153 386 274 A 12 PHE HBx A 26 LEU HDy% 1.0 1.883 4.183 387 275 A 12 PHE HBy A 21 VAL HB 1.0 1.952 4.808 388 276 A 32 ASP HBy A 21 VAL HB 1.0 1.980 5.204 389 277 A 12 PHE HBx A 12 PHE HDx 1.0 1.753 3.433 390 278 A 12 PHE HBx A 12 PHE H 1.0 1.882 4.180 391 279 A 32 ASP HBy A 32 ASP HA 1.0 1.944 4.718 392 280 A 11 SER HBx A 20 CYS HBx 1.0 1.960 4.908 393 280 A 11 SER HBy A 20 CYS HBx 1.0 1.960 4.908 394 281 A 7 CYS HBy A 20 CYS HBy 1.0 1.974 5.114 395 282 A 7 CYS HBy A 20 CYS HBx 1.0 1.996 5.660 396 283 A 20 CYS HBx A 20 CYS H 1.0 1.996 6.366 397 284 A 20 CYS HBy A 21 VAL H 1.0 1.994 6.470 398 285 A 21 VAL HGx% A 20 CYS HBy 1.0 1.996 6.366 399 286 A 20 CYS HBy A 20 CYS HBx 1.0 1.611 2.861 400 287 A 46 LEU HBx A 46 LEU HDx% 1.0 1.624 2.906 401 288 A 46 LEU HA A 46 LEU HBx 1.0 1.676 3.102 402 289 A 46 LEU H A 46 LEU HBx 1.0 1.941 4.689 403 290 A 30 ASP HBx A 30 ASP HA 1.0 1.804 3.690 404 291 A 30 ASP HBy A 30 ASP HA 1.0 1.771 3.525 405 292 A 28 ASP HBx A 28 ASP HBy 1.0 1.416 2.260 406 293 A 28 ASP HBx A 25 TRP HA 1.0 1.779 3.563 407 294 A 28 ASP HBy A 28 ASP H 1.0 1.868 4.080 408 295 A 28 ASP HBy A 25 TRP HA 1.0 1.861 4.027 409 296 A 28 ASP HBx A 28 ASP HA 1.0 1.555 2.671 410 297 A 28 ASP HBy A 28 ASP HA 1.0 1.560 2.688 411 298 A 30 ASP H A 30 ASP HBx 1.0 1.789 3.613 412 299 A 31 LYS HDy A 31 LYS HEx 1.0 1.435 2.313 413 299 A 31 LYS HDx A 31 LYS HEy 1.0 1.435 2.313 414 299 A 31 LYS HDy A 31 LYS HEy 1.0 1.435 2.313 415 299 A 31 LYS HDx A 31 LYS HEx 1.0 1.435 2.313 416 300 A 31 LYS HBy A 31 LYS HEx 1.0 1.882 4.374 417 300 A 31 LYS HBy A 31 LYS HEy 1.0 1.882 4.374 418 301 A 35 ASP HA A 31 LYS HEx 1.0 1.707 3.229 419 301 A 35 ASP HA A 31 LYS HEy 1.0 1.707 3.229 420 302 A 31 LYS HA A 31 LYS HEx 1.0 1.971 5.067 421 302 A 31 LYS HA A 31 LYS HEy 1.0 1.971 5.067 422 303 A 36 GLY HAy A 31 LYS HEx 1.0 1.834 3.860 423 303 A 36 GLY HAy A 31 LYS HEy 1.0 1.834 3.860 424 304 A 33 CYS HBy A 31 LYS HEx 1.0 1.951 4.795 425 304 A 33 CYS HBy A 31 LYS HEy 1.0 1.951 4.795 426 305 A 35 ASP HBx A 35 ASP HBy 1.0 1.365 2.129 427 306 A 35 ASP HBy A 37 ALA H 1.0 1.983 6.757 428 307 A 34 ALA HB% A 35 ASP HBy 1.0 1.999 5.847 429 308 A 38 ASP HBx A 26 LEU HDx% 1.0 1.751 3.425 430 309 A 38 ASP HBy A 26 LEU HDy% 1.0 1.991 5.487 431 310 A 38 ASP HBx A 26 LEU HDy% 1.0 1.987 5.367 432 311 A 38 ASP HBx A 21 VAL HB 1.0 2.000 5.932 433 312 A 38 ASP HBy A 26 LEU HA 1.0 1.784 3.588 434 313 A 38 ASP HBx A 26 LEU HA 1.0 1.801 3.671 435 314 A 38 ASP HBy A 12 PHE HDx 1.0 1.934 4.616 436 315 A 38 ASP HBx A 12 PHE HDx 1.0 1.901 4.315 437 316 A 38 ASP HBx A 39 GLU H 1.0 2.000 5.932 438 317 A 38 ASP HBx A 27 CYS H 1.0 1.978 5.184 439 318 A 38 ASP H A 38 ASP HBy 1.0 1.840 3.898 440 319 A 38 ASP H A 38 ASP HBx 1.0 1.815 3.753 441 320 A 38 ASP HBx A 12 PHE HEx 1.0 1.938 4.654 442 321 A 38 ASP HBy A 39 GLU H 1.0 2.000 6.128 443 322 A 38 ASP HBy A 33 CYS H 1.0 2.000 6.102 444 323 A 26 LEU HBy A 26 LEU HDx% 1.0 1.795 3.643 445 324 A 26 LEU HBx A 26 LEU HDx% 1.0 1.729 3.323 446 325 A 26 LEU HBy A 26 LEU HDy% 1.0 1.614 3.270 447 326 A 26 LEU HBy A 43 ALA HB% 1.0 1.877 4.137 448 327 A 26 LEU HBx A 26 LEU HBy 1.0 1.382 2.172 449 328 A 26 LEU HBy A 23 GLU HGx 1.0 1.992 5.502 450 328 A 26 LEU HBy A 23 GLU HGy 1.0 1.992 5.502 451 329 A 26 LEU HBy A 27 CYS HBx 1.0 1.997 5.695 452 330 A 38 ASP HBy A 26 LEU HBy 1.0 1.998 6.150 453 331 A 38 ASP HBy A 26 LEU HBx 1.0 1.997 6.077 454 332 A 26 LEU HBy A 23 GLU HA 1.0 1.819 3.771 455 333 A 26 LEU HBx A 26 LEU HA 1.0 1.662 3.052 456 334 A 26 LEU HBy A 26 LEU HA 1.0 1.725 3.307 457 335 A 26 LEU HBx A 24 ARG HA 1.0 1.999 6.211 458 336 A 26 LEU H A 26 LEU HBy 1.0 1.648 3.494 459 337 A 26 LEU H A 26 LEU HBx 1.0 1.719 3.379 460 338 A 26 LEU HBy A 27 CYS H 1.0 1.952 4.802 461 339 A 26 LEU HBx A 23 GLU HGx 1.0 1.994 6.434 462 339 A 26 LEU HBx A 23 GLU HGy 1.0 1.994 6.434 463 340 A 7 CYS HBx A 7 CYS HBy 1.0 1.396 2.208 464 341 A 11 SER HBx A 7 CYS HBx 1.0 1.739 3.771 465 341 A 11 SER HBy A 7 CYS HBx 1.0 1.739 3.771 466 342 A 7 CYS HBx A 8 GLY HAx 1.0 2.000 6.026 467 343 A 11 SER H A 7 CYS HBy 1.0 1.997 6.301 468 344 A 47 TYR HBx A 47 TYR HDx 1.0 1.683 3.533 469 345 A 47 TYR HBy A 47 TYR HDx 1.0 1.676 3.504 470 346 A 47 TYR HBy A 47 TYR HEx 1.0 1.976 5.142 471 347 A 47 TYR HBx A 47 TYR HEx 1.0 1.993 5.547 472 348 A 47 TYR HBy A 47 TYR HA 1.0 1.687 3.151 473 349 A 47 TYR HBx A 47 TYR HA 1.0 1.699 3.197 474 350 A 47 TYR HBx A 47 TYR HBy 1.0 1.252 1.856 475 351 A 7 CYS HBy A 20 CYS HA 1.0 1.995 6.093 476 352 A 6 THR H A 7 CYS HBy 1.0 1.981 7.303 477 353 A 48 ASN HBx A 48 ASN HBy 1.0 1.189 1.717 478 354 A 41 ILE HB A 41 ILE HG13 1.0 1.755 3.447 479 355 A 41 ILE HB A 41 ILE HG12 1.0 1.596 2.808 480 356 A 42 ALA H A 41 ILE HB 1.0 1.994 6.470 481 357 A 33 CYS HBx A 34 ALA HB% 1.0 1.999 6.155 482 358 A 33 CYS HBy A 37 ALA HB% 1.0 1.792 3.624 483 359 A 33 CYS HBx A 37 ALA HB% 1.0 1.759 3.463 484 360 A 33 CYS HBy A 34 ALA HB% 1.0 1.993 5.517 485 361 A 38 ASP HBx A 33 CYS HBx 1.0 1.960 5.116 486 362 A 33 CYS HBx A 33 CYS HBy 1.0 1.371 2.141 487 363 A 33 CYS HBy A 33 CYS HA 1.0 1.612 2.864 488 364 A 33 CYS HBx A 33 CYS HA 1.0 1.702 3.212 489 365 A 33 CYS HBy A 37 ALA H 1.0 1.681 3.125 490 366 A 33 CYS HBy A 32 ASP H 1.0 2.000 5.910 491 367 A 38 ASP H A 33 CYS HBy 1.0 1.762 3.480 492 368 A 33 CYS HBx A 32 ASP H 1.0 1.982 5.258 493 369 A 38 ASP H A 33 CYS HBx 1.0 1.690 3.162 494 370 A 33 CYS HBx A 12 PHE HEx 1.0 2.000 6.002 495 371 A 33 CYS HBx A 39 GLU H 1.0 1.998 6.270 496 372 A 33 CYS HBx A 35 ASP H 1.0 1.998 5.750 497 373 A 33 CYS HBy A 12 PHE HEx 1.0 1.999 5.807 498 374 A 31 LYS HGx A 39 GLU HGx 1.0 1.851 3.967 499 375 A 39 GLU HGx A 39 GLU HGy 1.0 1.447 2.347 500 376 A 36 GLY HAx A 39 GLU HGx 1.0 1.979 5.193 501 377 A 36 GLY HAx A 39 GLU HGy 1.0 2.000 5.868 502 378 A 39 GLU HGy A 39 GLU HA 1.0 1.876 4.128 503 379 A 39 GLU HGx A 39 GLU HA 1.0 1.871 4.101 504 380 A 39 GLU HGx A 40 SER H 1.0 2.000 6.026 505 381 A 39 GLU HGy A 40 SER H 1.0 1.999 6.211 506 382 A 39 GLU HGx A 33 CYS H 1.0 1.983 6.757 507 383 A 26 LEU HDy% A 23 GLU HGy 1.0 1.900 4.308 508 383 A 26 LEU HDy% A 23 GLU HGx 1.0 1.900 4.308 509 384 A 11 SER HA A 23 GLU HGx 1.0 1.999 6.147 510 384 A 11 SER HA A 23 GLU HGy 1.0 1.999 6.147 511 385 A 14 CYS HBy A 19 VAL HGx% 1.0 1.809 3.717 512 386 A 14 CYS HBx A 19 VAL HGx% 1.0 1.788 3.606 513 387 A 14 CYS HBy A 19 VAL HB 1.0 1.815 5.853 514 388 A 14 CYS HBx A 14 CYS HBy 1.0 1.410 2.244 515 389 A 14 CYS HBy A 33 CYS HA 1.0 1.932 4.890 516 390 A 14 CYS HBx A 33 CYS HA 1.0 1.991 5.487 517 391 A 14 CYS HBy A 12 PHE HEx 1.0 2.000 6.076 518 392 A 14 CYS H A 14 CYS HBy 1.0 1.871 4.095 519 393 A 14 CYS HBy A 19 VAL H 1.0 1.967 5.005 520 394 A 14 CYS HBx A 19 VAL H 1.0 1.941 4.683 521 395 A 14 CYS HBx A 14 CYS H 1.0 1.868 4.082 522 396 A 14 CYS HBy A 37 ALA H 1.0 2.000 6.202 523 397 A 14 CYS HBx A 37 ALA H 1.0 1.995 6.399 524 398 A 27 CYS HBx A 27 CYS HBy 1.0 1.296 1.958 525 399 A 27 CYS HBy A 27 CYS HA 1.0 1.553 2.665 526 400 A 39 GLU HA A 27 CYS HBy 1.0 1.956 4.864 527 401 A 27 CYS HBx A 27 CYS HA 1.0 1.578 2.746 528 402 A 27 CYS HBy A 47 TYR HEx 1.0 1.999 6.211 529 403 A 27 CYS HBx A 47 TYR HEx 1.0 2.000 6.102 530 404 A 27 CYS HBy A 28 ASP H 1.0 1.987 5.379 531 405 A 27 CYS H A 27 CYS HBy 1.0 1.842 3.908 532 406 A 27 CYS HBx A 28 ASP H 1.0 1.950 4.788 533 407 A 27 CYS H A 27 CYS HBx 1.0 1.876 4.128 534 408 A 45 CYS HBx A 27 CYS HBx 1.0 1.890 4.436 535 409 A 45 CYS HBx A 45 CYS HBy 1.0 1.310 1.990 536 410 A 43 ALA HB% A 45 CYS HBy 1.0 1.999 5.807 537 411 A 45 CYS HBy A 27 CYS HBy 1.0 1.741 3.583 538 412 A 45 CYS HBy A 41 ILE HA 1.0 1.963 4.947 539 413 A 45 CYS HBy A 47 TYR HEx 1.0 1.973 5.085 540 414 A 45 CYS HBy A 45 CYS H 1.0 1.666 3.064 541 415 A 45 CYS HBy A 46 LEU H 1.0 1.939 4.661 542 416 A 45 CYS HBy A 47 TYR HDx 1.0 1.998 5.750 543 417 A 26 LEU HDx% A 21 VAL HB 1.0 1.941 5.183 544 418 A 25 TRP HBy A 21 VAL HB 1.0 1.930 4.580 545 419 A 12 PHE HDx A 21 VAL HB 1.0 1.880 4.160 546 420 A 25 TRP HE3 A 21 VAL HB 1.0 1.909 4.591 547 421 A 21 VAL H A 21 VAL HB 1.0 1.907 4.367 548 422 A 20 CYS HA A 21 VAL HB 1.0 1.997 6.301 549 423 A 25 TRP HA A 21 VAL HB 1.0 1.994 6.634 550 424 A 45 CYS HBx A 41 ILE HD1% 1.0 1.985 5.305 551 425 A 45 CYS HBx A 27 CYS HBy 1.0 1.891 4.243 552 426 A 45 CYS HBx A 41 ILE HA 1.0 1.919 4.475 553 427 A 45 CYS HBx A 45 CYS H 1.0 1.591 2.793 554 428 A 45 CYS HBx A 47 TYR HDx 1.0 1.994 6.470 555 429 A 45 CYS HBx A 47 TYR HEx 1.0 1.997 5.695 556 430 A 19 VAL H A 19 VAL HB 1.0 1.771 3.525 557 431 A 20 CYS H A 19 VAL HB 1.0 2.000 6.128 558 432 A 19 VAL HB A 19 VAL HA 1.0 1.978 5.184 559 433 A 5 LYS HGx A 5 LYS HBy 1.0 1.745 3.397 560 434 A 5 LYS HGy A 5 LYS HBx 1.0 1.741 3.383 561 435 A 5 LYS HBy A 5 LYS HA 1.0 1.795 3.643 562 436 A 5 LYS HBx A 5 LYS HA 1.0 1.812 3.734 563 437 A 22 PRO HBy A 22 PRO HDy 1.0 1.998 6.270 564 438 A 22 PRO HBx A 22 PRO HBy 1.0 1.685 3.139 565 439 A 22 PRO HBy A 22 PRO HGx 1.0 1.996 5.626 566 440 A 22 PRO HBx A 22 PRO HGx 1.0 1.995 6.399 567 441 A 9 PRO HBy A 9 PRO HDx 1.0 1.658 3.034 568 441 A 22 PRO HBy A 9 PRO HDy 1.0 1.658 3.034 569 442 A 15 PRO HA A 15 PRO HBy 1.0 1.493 2.479 570 443 A 15 PRO HDx A 15 PRO HBy 1.0 1.823 3.793 571 444 A 9 PRO HBy A 9 PRO HBx 1.0 1.267 1.889 572 445 A 15 PRO HBy A 15 PRO HBx 1.0 1.277 1.915 573 446 A 9 PRO HDx A 9 PRO HBx 1.0 1.630 3.328 574 446 A 9 PRO HDy A 9 PRO HBx 1.0 1.630 3.328 575 447 A 15 PRO HDx A 15 PRO HBx 1.0 1.771 3.825 576 448 A 15 PRO HA A 15 PRO HBx 1.0 1.614 2.870 577 449 A 12 PHE HZ A 15 PRO HBy 1.0 1.963 7.131 578 450 A 12 PHE HZ A 15 PRO HBx 1.0 1.993 6.507 579 451 A 31 LYS HGx A 31 LYS HBx 1.0 1.693 3.171 580 452 A 31 LYS HBx A 31 LYS HBy 1.0 1.415 2.259 581 453 A 31 LYS HBx A 31 LYS HEx 1.0 1.945 4.725 582 453 A 31 LYS HBx A 31 LYS HEy 1.0 1.945 4.725 583 454 A 36 GLY HAx A 31 LYS HBy 1.0 1.842 4.208 584 455 A 36 GLY HAx A 31 LYS HBx 1.0 1.861 4.229 585 456 A 36 GLY HAy A 31 LYS HBy 1.0 1.937 4.843 586 457 A 36 GLY HAy A 31 LYS HBx 1.0 1.947 4.849 587 458 A 31 LYS HBx A 36 GLY H 1.0 1.987 5.379 588 459 A 32 ASP H A 31 LYS HBy 1.0 1.999 5.847 589 460 A 39 GLU HBy A 39 GLU HGy 1.0 1.623 2.903 590 461 A 39 GLU HBy A 39 GLU HGx 1.0 1.611 2.861 591 462 A 39 GLU HBx A 39 GLU HBy 1.0 1.417 2.263 592 463 A 39 GLU HBx A 31 LYS HGx 1.0 1.909 4.387 593 464 A 39 GLU HBx A 39 GLU HGx 1.0 1.576 2.740 594 465 A 39 GLU HBx A 39 GLU HGy 1.0 1.600 2.822 595 466 A 39 GLU HBx A 31 LYS HEx 1.0 1.968 5.014 596 466 A 39 GLU HBx A 31 LYS HEy 1.0 1.968 5.014 597 467 A 39 GLU HBy A 36 GLY HAx 1.0 2.000 5.932 598 468 A 39 GLU HBy A 36 GLY HAy 1.0 2.000 6.128 599 469 A 39 GLU HBx A 36 GLY HAy 1.0 1.970 5.048 600 470 A 39 GLU HBx A 36 GLY HAx 1.0 1.973 5.085 601 471 A 39 GLU HBx A 38 ASP H 1.0 1.995 5.609 602 472 A 39 GLU HBx A 27 CYS H 1.0 1.990 6.584 603 473 A 3 GLU HGx A 3 GLU HBx 1.0 1.424 2.282 604 473 A 3 GLU HGy A 3 GLU HBx 1.0 1.424 2.282 605 474 A 3 GLU HGx A 3 GLU HBy 1.0 1.440 2.326 606 474 A 3 GLU HGy A 3 GLU HBy 1.0 1.440 2.326 607 475 A 31 LYS HGx A 31 LYS HDx 1.0 1.457 2.375 608 475 A 31 LYS HGx A 31 LYS HDy 1.0 1.457 2.375 609 476 A 31 LYS HBy A 31 LYS HDx 1.0 1.566 2.708 610 476 A 31 LYS HBy A 31 LYS HDy 1.0 1.566 2.708 611 477 A 36 GLY HAx A 31 LYS HDx 1.0 1.756 3.450 612 477 A 36 GLY HAx A 31 LYS HDy 1.0 1.756 3.450 613 478 A 36 GLY HAy A 31 LYS HDx 1.0 1.729 3.325 614 478 A 36 GLY HAy A 31 LYS HDy 1.0 1.729 3.325 615 479 A 31 LYS HDx A 31 LYS HA 1.0 1.779 3.759 616 479 A 31 LYS HDy A 31 LYS HA 1.0 1.779 3.759 617 480 A 23 GLU HBx A 23 GLU H 1.0 1.682 3.130 618 481 A 26 LEU HDy% A 23 GLU HBy 1.0 1.911 4.403 619 482 A 26 LEU HDy% A 23 GLU HBx 1.0 1.913 4.411 620 483 A 23 GLU HBx A 23 GLU HGx 1.0 1.455 2.369 621 483 A 23 GLU HBx A 23 GLU HGy 1.0 1.455 2.369 622 484 A 23 GLU HBy A 23 GLU HA 1.0 1.685 3.143 623 485 A 41 ILE HG13 A 41 ILE HG12 1.0 1.303 1.975 624 486 A 41 ILE H A 41 ILE HG12 1.0 1.996 6.366 625 487 A 41 ILE H A 41 ILE HG13 1.0 1.995 6.399 626 488 A 47 TYR H A 41 ILE HG12 1.0 1.973 6.957 627 489 A 45 CYS H A 41 ILE HG12 1.0 1.987 6.667 628 490 A 45 CYS H A 41 ILE HG13 1.0 1.978 6.852 629 491 A 21 VAL HGy% A 25 TRP HBx 1.0 1.777 3.551 630 492 A 25 TRP HBx A 21 VAL HB 1.0 1.924 4.512 631 493 A 25 TRP HBx A 25 TRP HBy 1.0 1.458 2.378 632 494 A 25 TRP HBy A 32 ASP HBx 1.0 1.955 4.843 633 495 A 25 TRP HBx A 25 TRP HD1 1.0 2.000 5.932 634 496 A 25 TRP HBx A 25 TRP HE3 1.0 1.925 4.521 635 497 A 25 TRP HBx A 25 TRP H 1.0 1.820 3.776 636 498 A 25 TRP HBy A 25 TRP H 1.0 1.810 3.724 637 499 A 25 TRP HBy A 25 TRP HE3 1.0 1.850 3.956 638 500 A 25 TRP HBy A 25 TRP HD1 1.0 1.935 4.621 639 501 A 25 TRP HBy A 25 TRP HA 1.0 1.665 3.059 640 502 A 25 TRP HBy A 26 LEU HBx 1.0 1.968 5.914 641 503 A 25 TRP HBy A 26 LEU HDx% 1.0 2.000 5.910 642 504 A 25 TRP HBx A 26 LEU HDx% 1.0 1.976 6.904 643 505 A 15 PRO HGy A 15 PRO HGx 1.0 1.297 1.961 644 506 A 15 PRO HDy A 15 PRO HGy 1.0 1.596 2.810 645 507 A 15 PRO HDy A 15 PRO HGx 1.0 1.566 2.908 646 508 A 15 PRO HDx A 15 PRO HGx 1.0 1.674 3.094 647 509 A 12 PHE HEx A 15 PRO HGy 1.0 2.000 5.956 648 510 A 12 PHE HZ A 15 PRO HGy 1.0 2.000 5.932 649 511 A 12 PHE HEx A 15 PRO HGx 1.0 1.995 6.399 650 512 A 12 PHE HZ A 15 PRO HGx 1.0 1.999 6.211 651 513 A 37 ALA H A 15 PRO HGy 1.0 1.976 6.904 652 514 A 9 PRO HBy A 9 PRO HGx 1.0 1.406 2.236 653 514 A 9 PRO HBy A 9 PRO HGy 1.0 1.406 2.236 654 515 A 9 PRO HGx A 8 GLY HAy 1.0 1.788 3.808 655 515 A 9 PRO HGy A 8 GLY HAy 1.0 1.788 3.808 656 516 A 9 PRO HA A 9 PRO HGx 1.0 1.673 3.289 657 516 A 9 PRO HA A 9 PRO HGy 1.0 1.673 3.289 658 517 A 45 CYS HBy A 46 LEU HG 1.0 2.000 6.050 659 518 A 46 LEU HG A 46 LEU HDx% 1.0 1.752 3.430 660 519 A 45 CYS HBx A 46 LEU HG 1.0 1.998 5.712 661 520 A 46 LEU HA A 46 LEU HG 1.0 1.878 4.148 662 521 A 26 LEU HBx A 26 LEU HG 1.0 1.637 2.957 663 522 A 26 LEU HG A 26 LEU HA 1.0 1.860 4.020 664 523 A 26 LEU HG A 38 ASP HA 1.0 2.000 6.102 665 524 A 26 LEU H A 26 LEU HG 1.0 1.692 3.970 666 525 A 26 LEU HG A 12 PHE HDx 1.0 1.976 6.904 667 526 A 31 LYS HGx A 31 LYS HGy 1.0 1.370 2.138 668 527 A 31 LYS HGx A 31 LYS HBy 1.0 1.624 2.908 669 528 A 31 LYS HGy A 31 LYS HBy 1.0 1.637 2.957 670 529 A 31 LYS HGy A 39 GLU HGy 1.0 1.999 5.787 671 530 A 31 LYS HGx A 39 GLU HGy 1.0 1.889 4.223 672 531 A 39 GLU HBy A 31 LYS HGy 1.0 1.997 6.301 673 532 A 39 GLU HBy A 31 LYS HGx 1.0 1.950 4.782 674 533 A 31 LYS HGy A 31 LYS HEx 1.0 1.808 3.710 675 533 A 31 LYS HGy A 31 LYS HEy 1.0 1.808 3.710 676 534 A 31 LYS HGx A 31 LYS HEx 1.0 1.753 3.437 677 534 A 31 LYS HGx A 31 LYS HEy 1.0 1.753 3.437 678 535 A 36 GLY HAx A 31 LYS HGy 1.0 1.909 4.591 679 536 A 36 GLY HAy A 31 LYS HGy 1.0 1.937 4.649 680 537 A 31 LYS HGx A 31 LYS HA 1.0 1.679 3.115 681 538 A 31 LYS HGx A 39 GLU H 1.0 1.997 5.677 682 539 A 31 LYS HGy A 36 GLY H 1.0 1.999 6.183 683 540 A 32 ASP H A 31 LYS HGy 1.0 1.997 6.333 684 541 A 31 LYS HGx A 32 ASP H 1.0 1.952 4.808 685 542 A 5 LYS HGx A 4 GLY HAx 1.0 1.983 5.781 686 542 A 5 LYS HGx A 4 GLY HAy 1.0 1.983 5.781 687 543 A 44 GLY HAx A 46 LEU HDy% 1.0 1.935 5.021 688 544 A 26 LEU HDy% A 12 PHE HDx 1.0 1.721 3.289 689 545 A 26 LEU H A 26 LEU HDy% 1.0 1.805 3.697 690 546 A 12 PHE H A 26 LEU HDy% 1.0 1.982 5.258 691 547 A 26 LEU HDy% A 26 LEU HA 1.0 1.763 3.485 692 548 A 22 PRO HA A 26 LEU HDy% 1.0 1.825 3.809 693 549 A 26 LEU HDy% A 23 GLU HA 1.0 1.554 2.670 694 550 A 12 PHE HBy A 26 LEU HDy% 1.0 1.620 2.894 695 551 A 26 LEU HDy% A 26 LEU HG 1.0 1.459 2.381 696 552 A 26 LEU HBx A 26 LEU HDy% 1.0 1.534 2.606 697 553 A 26 LEU HDy% A 26 LEU HDx% 1.0 1.526 2.578 698 554 A 44 GLY HAx A 46 LEU HDx% 1.0 1.917 4.653 699 555 A 45 CYS H A 46 LEU HDx% 1.0 1.997 5.677 700 556 A 21 VAL HGy% A 21 VAL HB 1.0 1.528 2.586 701 557 A 21 VAL HGy% A 25 TRP HBy 1.0 1.713 3.255 702 558 A 50 THR HB A 50 THR HG2% 1.0 1.806 3.700 703 559 A 21 VAL HGy% A 25 TRP HA 1.0 1.934 4.606 704 560 A 21 VAL HGy% A 25 TRP HD1 1.0 1.950 4.788 705 561 A 21 VAL HGy% A 25 TRP HE3 1.0 1.779 3.559 706 562 A 21 VAL HGy% A 25 TRP H 1.0 1.943 4.713 707 563 A 21 VAL HGy% A 33 CYS H 1.0 1.987 5.379 708 564 A 21 VAL HGy% A 21 VAL H 1.0 1.913 4.411 709 565 A 21 VAL HGy% A 20 CYS HA 1.0 1.959 5.293 710 566 A 6 THR HB A 6 THR HG2% 1.0 1.479 2.439 711 567 A 6 THR HG2% A 6 THR HA 1.0 1.614 2.870 712 568 A 43 ALA HB% A 26 LEU HDx% 1.0 1.568 2.716 713 569 A 26 LEU HG A 26 LEU HDx% 1.0 1.634 2.944 714 570 A 38 ASP HBy A 26 LEU HDx% 1.0 1.723 3.299 715 571 A 11 SER HBx A 26 LEU HDx% 1.0 1.990 6.914 716 571 A 11 SER HBy A 26 LEU HDx% 1.0 1.990 6.914 717 572 A 43 ALA HA A 26 LEU HDx% 1.0 1.999 5.787 718 573 A 26 LEU HDx% A 12 PHE HDx 1.0 1.825 3.805 719 574 A 38 ASP H A 26 LEU HDx% 1.0 1.990 6.584 720 575 A 12 PHE H A 26 LEU HDx% 1.0 1.990 6.584 721 576 A 26 LEU HDx% A 25 TRP HA 1.0 1.983 6.757 722 577 A 19 VAL HB A 19 VAL HGy% 1.0 1.470 2.412 723 578 A 34 ALA HB% A 19 VAL HGy% 1.0 1.875 4.825 724 579 A 21 VAL HB A 19 VAL HGy% 1.0 1.884 4.192 725 580 A 14 CYS HBy A 19 VAL HGy% 1.0 1.887 4.211 726 581 A 19 VAL HA A 19 VAL HGy% 1.0 1.771 3.523 727 582 A 33 CYS HA A 19 VAL HGy% 1.0 1.872 4.106 728 583 A 20 CYS HA A 19 VAL HGy% 1.0 1.934 4.606 729 584 A 20 CYS H A 19 VAL HGy% 1.0 1.877 4.145 730 585 A 14 CYS H A 19 VAL HGx% 1.0 1.999 6.155 731 586 A 21 VAL H A 19 VAL HGy% 1.0 1.994 6.434 732 587 A 33 CYS H A 19 VAL HGy% 1.0 1.997 6.301 733 588 A 6 THR HG2% A 5 LYS H 1.0 1.998 6.270 734 589 A 19 VAL HGx% A 19 VAL HB 1.0 1.535 2.609 735 590 A 17 THR HB A 19 VAL HGx% 1.0 1.710 3.242 736 591 A 15 PRO HDx A 19 VAL HGx% 1.0 1.989 5.405 737 592 A 19 VAL H A 19 VAL HGx% 1.0 1.673 3.091 738 593 A 21 VAL H A 19 VAL HGx% 1.0 1.981 6.803 739 594 A 21 VAL HGx% A 21 VAL H 1.0 1.788 3.606 740 595 A 21 VAL HGx% A 12 PHE HDx 1.0 1.685 3.137 741 596 A 21 VAL HGx% A 20 CYS HA 1.0 1.911 4.403 742 597 A 12 PHE HBy A 21 VAL HGx% 1.0 1.685 3.137 743 598 A 38 ASP HBx A 21 VAL HGx% 1.0 1.703 3.213 744 599 A 21 VAL HGx% A 21 VAL HB 1.0 1.588 2.782 745 600 A 21 VAL HGx% A 26 LEU HDx% 1.0 1.871 4.095 746 601 A 21 VAL HGx% A 33 CYS H 1.0 1.999 5.807 747 602 A 21 VAL HGx% A 12 PHE HEx 1.0 1.943 4.707 748 603 A 17 THR HB A 17 THR HG2% 1.0 1.485 2.455 749 604 A 14 CYS HBy A 17 THR HG2% 1.0 1.743 3.391 750 605 A 14 CYS HBx A 17 THR HG2% 1.0 1.788 3.608 751 606 A 17 THR HG2% A 19 VAL HB 1.0 1.878 4.142 752 607 A 34 ALA HB% A 17 THR HG2% 1.0 1.694 3.378 753 608 A 19 VAL H A 17 THR HG2% 1.0 1.949 4.769 754 609 A 14 CYS H A 17 THR HG2% 1.0 1.981 6.803 755 610 A 33 CYS HA A 21 VAL HGx% 1.0 1.982 5.270 756 611 A 37 ALA HB% A 15 PRO HGy 1.0 1.551 2.659 757 612 A 14 CYS HBx A 37 ALA HB% 1.0 1.705 3.823 758 613 A 37 ALA HB% A 15 PRO HDy 1.0 1.558 2.682 759 614 A 37 ALA HA A 37 ALA HB% 1.0 1.404 2.228 760 615 A 37 ALA HB% A 15 PRO HDx 1.0 1.475 2.427 761 616 A 37 ALA HB% A 12 PHE HEx 1.0 1.519 2.557 762 617 A 37 ALA HB% A 12 PHE HZ 1.0 1.612 2.866 763 618 A 39 GLU H A 37 ALA HB% 1.0 1.956 4.856 764 619 A 37 ALA HB% A 37 ALA H 1.0 1.453 2.365 765 620 A 38 ASP H A 37 ALA HB% 1.0 1.710 3.242 766 621 A 43 ALA HB% A 43 ALA H 1.0 1.498 2.496 767 622 A 43 ALA HB% A 12 PHE HZ 1.0 1.833 3.857 768 623 A 43 ALA HB% A 27 CYS H 1.0 1.962 4.924 769 624 A 38 ASP H A 43 ALA HB% 1.0 1.999 6.183 770 625 A 43 ALA HB% A 43 ALA HA 1.0 1.454 2.366 771 626 A 43 ALA HB% A 38 ASP HA 1.0 1.539 2.621 772 627 A 43 ALA HB% A 45 CYS HBx 1.0 1.893 4.253 773 628 A 43 ALA HB% A 42 ALA HB% 1.0 1.663 3.291 774 629 A 43 ALA HB% A 26 LEU HDy% 1.0 1.666 3.664 775 630 A 42 ALA HB% A 15 PRO HGy 1.0 1.890 4.236 776 631 A 42 ALA HA A 42 ALA HB% 1.0 1.327 2.033 777 632 A 12 PHE HZ A 42 ALA HB% 1.0 1.709 3.237 778 633 A 43 ALA H A 42 ALA HB% 1.0 1.663 3.053 779 634 A 44 GLY H A 42 ALA HB% 1.0 1.911 4.407 780 635 A 42 ALA H A 42 ALA HB% 1.0 1.752 3.428 781 636 A 34 ALA HB% A 33 CYS HA 1.0 1.925 4.525 782 637 A 34 ALA HB% A 34 ALA HA 1.0 1.328 2.036 783 638 A 34 ALA HB% A 35 ASP HBx 1.0 1.869 4.687 784 639 A 42 ALA H A 41 ILE HG2% 1.0 1.971 5.057 785 640 A 41 ILE HG2% A 44 GLY H 1.0 1.979 5.215 786 641 A 42 ALA HA A 41 ILE HG2% 1.0 1.723 3.303 787 642 A 41 ILE HG2% A 41 ILE HA 1.0 1.540 2.626 788 643 A 41 ILE HG2% A 41 ILE HG12 1.0 1.497 2.993 789 644 A 41 ILE HG2% A 41 ILE HG13 1.0 1.511 2.935 790 645 A 41 ILE HG2% A 41 ILE HB 1.0 1.436 2.314 791 646 A 41 ILE HD1% A 41 ILE HG12 1.0 1.418 2.266 792 647 A 41 ILE HD1% A 41 ILE HG13 1.0 1.345 2.077 793 648 A 41 ILE HB A 41 ILE HD1% 1.0 1.561 2.891 794 649 A 41 ILE HD1% A 41 ILE HA 1.0 1.697 3.187 795 650 A 41 ILE HD1% A 47 TYR HDx 1.0 2.000 5.868 796 651 A 47 TYR HDx A 47 TYR HEx 1.0 1.242 2.538 797 652 A 25 TRP HZ3 A 6 THR HG2% 1.0 1.999 7.283 798 653 A 25 TRP HBy A 25 TRP HZ3 1.0 1.943 7.407 799 654 A 28 ASP HBx A 25 TRP HD1 1.0 1.930 7.570 800 655 A 25 TRP HD1 A 5 LYS HDx 1.0 1.943 7.407 801 655 A 25 TRP HD1 A 5 LYS HDy 1.0 1.943 7.407 802 656 A 25 TRP HD1 A 24 ARG HGy 1.0 1.922 7.660 803 657 A 12 PHE HZ A 12 PHE HEx 1.0 1.648 2.996 804 658 A 12 PHE HZ A 38 ASP HA 1.0 1.936 7.486 805 659 A 26 LEU HDx% A 12 PHE HEx 1.0 1.995 6.399 806 660 A 43 ALA HA A 12 PHE HEx 1.0 1.809 3.721 807 661 A 42 ALA HB% A 12 PHE HEx 1.0 1.992 5.502 808 662 A 43 ALA HB% A 12 PHE HEx 1.0 1.928 4.560 809 663 A 12 PHE HBy A 12 PHE HDx 1.0 1.655 3.023 810 664 A 43 ALA HA A 12 PHE HDx 1.0 1.960 4.916 811 665 A 46 LEU HBx A 47 TYR HDx 1.0 2.000 5.868 812 666 A 18 HIS HE1 A 18 HIS HA 1.0 2.000 5.978 813 667 A 42 ALA HB% A 15 PRO HBy 1.0 1.977 5.173 814 668 A 18 HIS HBy A 18 HIS HBx 1.0 1.868 4.074 815 669 A 42 ALA H A 44 GLY H 1.0 1.892 7.964 816 670 A 38 ASP H A 12 PHE HDx 1.0 1.892 7.964 817 671 A 38 ASP H A 12 PHE HEx 1.0 1.973 5.099 818 672 A 12 PHE H A 21 VAL HGx% 1.0 1.999 5.823 819 673 A 12 PHE H A 21 VAL HB 1.0 1.911 7.773 820 674 A 12 PHE H A 12 PHE HBy 1.0 1.868 4.076 821 675 A 12 PHE H A 12 PHE HDx 1.0 1.892 7.964 822 676 A 29 GLY H A 28 ASP HBy 1.0 1.981 6.799 823 677 A 29 GLY H A 28 ASP HA 1.0 1.894 4.260 824 678 A 29 GLY H A 27 CYS HA 1.0 1.866 4.062 825 679 A 29 GLY H A 29 GLY HAy 1.0 1.692 3.170 826 680 A 29 GLY H A 27 CYS H 1.0 1.996 6.316 827 681 A 29 GLY H A 39 GLU HGy 1.0 1.971 6.983 828 682 A 26 LEU H A 26 LEU HDx% 1.0 1.911 4.405 829 683 A 26 LEU H A 23 GLU HGx 1.0 1.976 6.888 830 683 A 26 LEU H A 23 GLU HGy 1.0 1.976 6.888 831 684 A 26 LEU H A 25 TRP HBx 1.0 1.931 4.583 832 685 A 26 LEU H A 24 ARG HA 1.0 1.985 5.305 833 686 A 26 LEU H A 26 LEU HA 1.0 1.789 3.615 834 687 A 26 LEU H A 25 TRP HA 1.0 1.859 4.015 835 688 A 48 ASN HD2y A 48 ASN HD2x 1.0 1.729 3.327 836 689 A 48 ASN HBx A 48 ASN HD2x 1.0 1.892 7.964 837 690 A 25 TRP HE1 A 22 PRO HGx 1.0 1.892 7.964 838 691 A 25 TRP HE1 A 22 PRO HGy 1.0 1.999 5.823 839 692 A 25 TRP HE1 A 24 ARG HGx 1.0 1.999 5.989 840 693 A 25 TRP HE1 A 22 PRO HBy 1.0 1.939 7.455 841 694 A 25 TRP HE1 A 22 PRO HDx 1.0 1.927 7.605 842 695 A 25 TRP HE1 A 24 ARG HDx 1.0 1.987 5.571 843 695 A 25 TRP HE1 A 24 ARG HDy 1.0 1.987 5.571 844 696 A 25 TRP HE1 A 25 TRP HA 1.0 2.000 5.938 845 697 A 25 TRP HE1 A 25 TRP HZ2 1.0 1.859 4.019 846 698 A 25 TRP HE1 A 25 TRP HD1 1.0 1.778 3.554 847 699 A 25 TRP HE1 A 25 TRP H 1.0 1.911 7.773 848 700 A 35 ASP H A 17 THR HG2% 1.0 1.949 7.321 849 701 A 35 ASP H A 37 ALA HB% 1.0 1.966 7.086 850 702 A 35 ASP H A 35 ASP HBx 1.0 1.800 3.670 851 703 A 35 ASP H A 35 ASP HBy 1.0 1.879 4.149 852 704 A 33 CYS HBy A 35 ASP H 1.0 1.866 4.058 853 705 A 35 ASP H A 33 CYS HA 1.0 1.981 6.799 854 706 A 11 SER H A 10 SER H 1.0 1.939 7.455 855 707 A 12 PHE H A 11 SER H 1.0 1.971 6.983 856 708 A 11 SER HA A 11 SER H 1.0 1.813 3.739 857 709 A 11 SER H A 26 LEU HDy% 1.0 1.998 6.260 858 710 A 11 SER H A 23 GLU HGx 1.0 1.911 7.773 859 710 A 11 SER H A 23 GLU HGy 1.0 1.911 7.773 860 711 A 11 SER H A 10 SER HA 1.0 1.762 3.478 861 712 A 32 ASP H A 39 GLU H 1.0 1.892 7.964 862 713 A 32 ASP H A 31 LYS HA 1.0 1.505 2.515 863 714 A 36 GLY HAx A 32 ASP H 1.0 1.982 5.264 864 715 A 32 ASP H A 32 ASP HBx 1.0 1.687 3.345 865 716 A 32 ASP H A 32 ASP HBy 1.0 1.861 4.031 866 717 A 32 ASP H A 31 LYS HBx 1.0 1.968 5.018 867 718 A 32 ASP H A 39 GLU HGx 1.0 1.861 4.231 868 719 A 32 ASP H A 39 GLU HGy 1.0 1.911 4.405 869 720 A 38 ASP H A 39 GLU H 1.0 1.616 2.878 870 721 A 38 ASP H A 40 SER H 1.0 1.936 4.630 871 722 A 40 SER H A 41 ILE H 1.0 1.869 8.183 872 723 A 40 SER H A 39 GLU H 1.0 1.543 2.633 873 724 A 39 GLU HBy A 39 GLU H 1.0 1.744 3.392 874 725 A 39 GLU HGy A 39 GLU H 1.0 1.733 3.343 875 726 A 39 GLU HGx A 39 GLU H 1.0 1.776 3.544 876 727 A 39 GLU HBx A 39 GLU H 1.0 1.647 2.995 877 728 A 39 GLU HBx A 40 SER H 1.0 1.861 4.031 878 729 A 40 SER H A 45 CYS HBx 1.0 1.917 4.449 879 730 A 39 GLU HBy A 40 SER H 1.0 1.966 4.988 880 731 A 40 SER H A 38 ASP HA 1.0 1.898 4.496 881 732 A 40 SER HBy A 40 SER H 1.0 1.790 3.618 882 733 A 23 GLU HGx A 24 ARG H 1.0 2.000 5.860 883 733 A 23 GLU HGy A 24 ARG H 1.0 2.000 5.860 884 734 A 24 ARG HBx A 24 ARG H 1.0 1.922 4.496 885 734 A 24 ARG HBy A 24 ARG H 1.0 1.922 4.496 886 735 A 22 PRO HBx A 24 ARG H 1.0 1.994 5.544 887 736 A 23 GLU HA A 24 ARG H 1.0 1.988 6.640 888 737 A 24 ARG HA A 24 ARG H 1.0 1.926 4.538 889 738 A 24 ARG HBx A 25 TRP H 1.0 1.959 4.903 890 738 A 24 ARG HBy A 25 TRP H 1.0 1.959 4.903 891 739 A 24 ARG HA A 25 TRP H 1.0 2.000 6.064 892 740 A 23 GLU HGx A 25 TRP H 1.0 1.966 7.086 893 740 A 23 GLU HGy A 25 TRP H 1.0 1.966 7.086 894 741 A 25 TRP HD1 A 25 TRP H 1.0 1.981 6.799 895 742 A 32 ASP H A 33 CYS H 1.0 1.534 2.606 896 743 A 38 ASP H A 33 CYS H 1.0 1.861 4.027 897 744 A 33 CYS HA A 33 CYS H 1.0 1.705 3.221 898 745 A 31 LYS HA A 33 CYS H 1.0 1.746 3.406 899 746 A 33 CYS HBy A 33 CYS H 1.0 1.720 3.286 900 747 A 32 ASP HBx A 33 CYS H 1.0 1.723 3.299 901 748 A 33 CYS HBx A 33 CYS H 1.0 1.617 2.885 902 749 A 36 GLY HAy A 33 CYS H 1.0 1.979 5.205 903 750 A 43 ALA HB% A 45 CYS H 1.0 1.766 3.496 904 751 A 45 CYS H A 44 GLY HAx 1.0 1.720 3.288 905 752 A 45 CYS H A 44 GLY HAy 1.0 1.769 3.513 906 753 A 45 CYS H A 41 ILE HA 1.0 1.631 2.933 907 754 A 45 CYS H A 46 LEU H 1.0 1.982 5.244 908 755 A 43 ALA HB% A 44 GLY H 1.0 1.779 3.565 909 756 A 45 CYS HBx A 44 GLY H 1.0 1.997 5.659 910 757 A 45 CYS HBy A 44 GLY H 1.0 1.958 7.198 911 758 A 44 GLY HAx A 44 GLY H 1.0 1.519 2.557 912 759 A 45 CYS H A 44 GLY H 1.0 1.491 2.471 913 760 A 43 ALA H A 38 ASP HA 1.0 1.907 4.369 914 761 A 43 ALA HA A 43 ALA H 1.0 1.638 2.960 915 762 A 44 GLY H A 43 ALA H 1.0 1.559 2.683 916 763 A 42 ALA H A 43 ALA H 1.0 1.896 4.284 917 764 A 39 GLU HGx A 30 ASP H 1.0 1.973 5.099 918 765 A 30 ASP H A 30 ASP HBy 1.0 1.576 2.742 919 766 A 39 GLU HGy A 30 ASP H 1.0 1.997 5.689 920 767 A 29 GLY HAx A 30 ASP H 1.0 1.738 3.364 921 768 A 29 GLY HAy A 30 ASP H 1.0 1.736 3.356 922 769 A 30 ASP H A 30 ASP HA 1.0 1.720 3.288 923 770 A 29 GLY H A 30 ASP H 1.0 1.624 2.906 924 771 A 47 TYR H A 47 TYR HBx 1.0 1.976 6.888 925 772 A 35 ASP H A 36 GLY H 1.0 1.670 3.080 926 773 A 38 ASP H A 36 GLY H 1.0 1.990 5.466 927 774 A 33 CYS HA A 36 GLY H 1.0 2.000 6.020 928 775 A 36 GLY HAy A 36 GLY H 1.0 1.575 2.737 929 776 A 36 GLY HAx A 36 GLY H 1.0 1.513 2.541 930 777 A 36 GLY H A 31 LYS HEx 1.0 1.732 3.540 931 777 A 36 GLY H A 31 LYS HEy 1.0 1.732 3.540 932 778 A 35 ASP HBx A 36 GLY H 1.0 1.995 5.629 933 779 A 31 LYS HBy A 36 GLY H 1.0 1.833 3.857 934 780 A 31 LYS HGx A 36 GLY H 1.0 1.895 4.271 935 781 A 27 CYS H A 26 LEU HDx% 1.0 1.836 3.874 936 782 A 26 LEU HBx A 27 CYS H 1.0 1.771 4.321 937 783 A 39 GLU HBy A 27 CYS H 1.0 1.995 6.435 938 784 A 38 ASP HBy A 27 CYS H 1.0 1.930 4.574 939 785 A 39 GLU H A 27 CYS H 1.0 1.988 6.640 940 786 A 26 LEU H A 27 CYS H 1.0 1.985 5.327 941 787 A 27 CYS H A 28 ASP H 1.0 1.703 3.217 942 788 A 41 ILE HD1% A 41 ILE H 1.0 1.988 6.640 943 789 A 26 LEU HDy% A 23 GLU H 1.0 1.994 5.572 944 790 A 23 GLU H A 22 PRO HBx 1.0 1.979 5.205 945 791 A 23 GLU H A 23 GLU HGx 1.0 1.830 3.834 946 791 A 23 GLU H A 23 GLU HGy 1.0 1.830 3.834 947 792 A 22 PRO HA A 23 GLU H 1.0 1.631 2.935 948 793 A 11 SER HA A 23 GLU H 1.0 1.739 3.373 949 794 A 12 PHE H A 23 GLU H 1.0 1.911 7.773 950 795 A 14 CYS H A 13 SER H 1.0 1.966 7.086 951 796 A 13 SER H A 12 PHE HDx 1.0 1.995 5.629 952 797 A 13 SER H A 20 CYS HA 1.0 1.911 7.773 953 798 A 21 VAL HGx% A 13 SER H 1.0 1.992 6.500 954 799 A 39 GLU HGx A 28 ASP H 1.0 2.000 6.110 955 800 A 39 GLU HGy A 28 ASP H 1.0 1.927 7.605 956 801 A 28 ASP HBx A 28 ASP H 1.0 1.764 3.490 957 802 A 29 GLY HAx A 28 ASP H 1.0 1.916 4.442 958 803 A 25 TRP HBx A 28 ASP H 1.0 1.966 7.086 959 804 A 29 GLY HAy A 28 ASP H 1.0 1.973 5.099 960 805 A 28 ASP H A 27 CYS HA 1.0 1.618 2.884 961 806 A 28 ASP H A 25 TRP HA 1.0 1.990 6.568 962 807 A 30 ASP H A 28 ASP H 1.0 1.820 3.782 963 808 A 45 CYS HBx A 46 LEU H 1.0 1.986 5.348 964 809 A 17 THR H A 17 THR HG2% 1.0 1.809 3.719 965 810 A 17 THR H A 19 VAL HGx% 1.0 1.976 6.888 966 811 A 16 GLY HAx A 17 THR H 1.0 1.905 4.355 967 812 A 33 CYS HBx A 37 ALA H 1.0 1.630 3.230 968 813 A 37 ALA HA A 37 ALA H 1.0 1.610 2.854 969 814 A 33 CYS HA A 37 ALA H 1.0 2.000 6.158 970 815 A 39 GLU H A 37 ALA H 1.0 1.978 5.186 971 816 A 35 ASP H A 37 ALA H 1.0 1.917 4.449 972 817 A 36 GLY H A 37 ALA H 1.0 1.677 3.107 973 818 A 38 ASP H A 37 ALA H 1.0 1.726 3.314 974 819 A 43 ALA HB% A 39 GLU H 1.0 1.887 4.211 975 819 A 39 GLU H A 37 ALA HB% 1.0 1.887 4.211 976 820 A 33 CYS H A 19 VAL HGy% 1.0 1.993 5.521 977 820 A 21 VAL HGy% A 33 CYS H 1.0 1.993 5.521 978 821 A 21 VAL HGx% A 33 CYS H 1.0 1.970 5.052 979 821 A 33 CYS H A 19 VAL HGx% 1.0 1.970 5.052 980 822 A 33 CYS H A 32 ASP HA 1.0 1.744 3.394 981 822 A 31 LYS HA A 33 CYS H 1.0 1.744 3.394 982 823 A 45 CYS H A 46 LEU HA 1.0 1.993 5.521 983 823 A 42 ALA HA A 45 CYS H 1.0 1.993 5.521 984 824 A 35 ASP HA A 37 ALA H 1.0 1.950 4.784 985 824 A 33 CYS HA A 37 ALA H 1.0 1.950 4.784 986 825 A 16 GLY HAx A 17 THR HB 1.0 1.991 5.473 987 825 A 14 CYS HBy A 17 THR HB 1.0 1.991 5.473 988 826 A 33 CYS HA A 6 THR HB 1.0 1.983 7.757 989 826 A 11 SER HA A 6 THR HB 1.0 1.983 7.757 990 827 A 40 SER HBy A 41 ILE HB 1.0 1.998 5.768 991 827 A 40 SER HBy A 37 ALA HB% 1.0 1.998 5.768 992 828 A 40 SER HBy A 39 GLU HBx 1.0 2.000 6.076 993 828 A 40 SER HBy A 42 ALA HB% 1.0 2.000 6.076 994 829 A 40 SER HBx A 45 CYS HBx 1.0 1.985 6.711 995 829 A 40 SER HBx A 15 PRO HGy 1.0 1.985 6.711 996 830 A 40 SER HBx A 43 ALA HB% 1.0 1.987 5.567 997 831 A 40 SER HBx A 41 ILE HG2% 1.0 2.000 6.128 998 831 A 40 SER HBx A 41 ILE HD1% 1.0 2.000 6.128 999 832 A 11 SER HBx A 21 VAL HGx% 1.0 1.995 5.593 1000 832 A 21 VAL HGy% A 11 SER HBy 1.0 1.995 5.593 1001 832 A 11 SER HBy A 21 VAL HGx% 1.0 1.995 5.593 1002 832 A 21 VAL HGy% A 11 SER HBx 1.0 1.995 5.593 1003 833 A 11 SER HBx A 20 CYS HBx 1.0 1.738 3.366 1004 833 A 11 SER HBy A 20 CYS HBx 1.0 1.738 3.366 1005 833 A 11 SER HBx A 7 CYS HBx 1.0 1.738 3.366 1006 833 A 11 SER HBy A 7 CYS HBx 1.0 1.738 3.366 1007 834 A 11 SER HBy A 8 GLY HAy 1.0 1.969 5.031 1008 834 A 11 SER HBx A 8 GLY HAy 1.0 1.969 5.031 1009 834 A 11 SER HBx A 8 GLY HAx 1.0 1.969 5.031 1010 834 A 11 SER HBy A 8 GLY HAx 1.0 1.969 5.031 1011 835 A 11 SER HBx A 12 PHE HDx 1.0 1.983 6.757 1012 835 A 11 SER HBy A 12 PHE HDx 1.0 1.983 6.757 1013 835 A 11 SER HBx A 6 THR H 1.0 1.983 6.757 1014 835 A 11 SER HBy A 6 THR H 1.0 1.983 6.757 1015 836 A 11 SER HBy A 9 PRO HGy 1.0 2.000 5.932 1016 836 A 11 SER HBx A 22 PRO HBy 1.0 2.000 5.932 1017 836 A 11 SER HBx A 9 PRO HGy 1.0 2.000 5.932 1018 836 A 11 SER HBy A 22 PRO HBy 1.0 2.000 5.932 1019 836 A 11 SER HBy A 9 PRO HGx 1.0 2.000 5.932 1020 836 A 11 SER HBx A 9 PRO HGx 1.0 2.000 5.932 1021 837 A 9 PRO HA A 9 PRO HBx 1.0 1.802 3.684 1022 837 A 9 PRO HA A 9 PRO HGx 1.0 1.802 3.684 1023 837 A 9 PRO HA A 9 PRO HGy 1.0 1.802 3.684 1024 838 A 41 ILE HG2% A 41 ILE HA 1.0 1.613 2.867 1025 838 A 41 ILE HD1% A 41 ILE HA 1.0 1.613 2.867 1026 839 A 21 VAL HGx% A 23 GLU HA 1.0 1.926 4.536 1027 839 A 21 VAL HGy% A 23 GLU HA 1.0 1.926 4.536 1028 840 A 12 PHE HBy A 23 GLU HA 1.0 1.940 4.666 1029 840 A 12 PHE HBx A 23 GLU HA 1.0 1.940 4.666 1030 841 A 23 GLU HA A 24 ARG HA 1.0 1.859 4.015 1031 841 A 22 PRO HA A 23 GLU HA 1.0 1.859 4.015 1032 842 A 43 ALA HB% A 13 SER HBy 1.0 1.989 6.625 1033 842 A 21 VAL HGy% A 13 SER HBy 1.0 1.989 6.625 1034 843 A 13 SER HBx A 17 THR HG2% 1.0 1.970 7.012 1035 843 A 21 VAL HGy% A 13 SER HBx 1.0 1.970 7.012 1036 844 A 13 SER HBy A 12 PHE HEx 1.0 1.976 6.904 1037 844 A 13 SER HBy A 12 PHE HDx 1.0 1.976 6.904 1038 845 A 11 SER HA A 23 GLU H 1.0 1.976 5.142 1039 845 A 11 SER HA A 8 GLY H 1.0 1.976 5.142 1040 846 A 47 TYR HBx A 47 TYR HA 1.0 1.592 10.018 1041 846 A 32 ASP HBy A 32 ASP HA 1.0 1.592 10.018 1042 847 A 3 GLU HA A 3 GLU HBy 1.0 1.830 3.836 1043 847 A 3 GLU HA A 3 GLU HBx 1.0 1.830 3.836 1044 848 A 5 LYS HGy A 5 LYS HA 1.0 1.806 3.702 1045 848 A 5 LYS HGx A 5 LYS HA 1.0 1.806 3.702 1046 849 A 5 LYS HBy A 5 LYS HA 1.0 1.816 3.758 1047 849 A 5 LYS HBx A 5 LYS HA 1.0 1.816 3.758 1048 850 A 36 GLY HAx A 37 ALA HA 1.0 1.988 5.392 1049 850 A 33 CYS HBy A 37 ALA HA 1.0 1.988 5.392 1050 851 A 40 SER H A 37 ALA HA 1.0 1.864 4.044 1051 851 A 37 ALA HA A 12 PHE HEx 1.0 1.864 4.044 1052 852 A 43 ALA HB% A 37 ALA HA 1.0 1.997 6.301 1053 853 A 46 LEU HA A 46 LEU HG 1.0 1.653 3.017 1054 853 A 46 LEU HA A 46 LEU HBx 1.0 1.653 3.017 1055 854 A 27 CYS HA A 48 ASN HD2x 1.0 1.879 8.087 1056 854 A 47 TYR HEx A 27 CYS HA 1.0 1.879 8.087 1057 855 A 42 ALA HB% A 38 ASP HA 1.0 1.968 5.014 1058 855 A 39 GLU HBx A 38 ASP HA 1.0 1.968 5.014 1059 856 A 42 ALA HA A 41 ILE HB 1.0 1.999 5.827 1060 856 A 42 ALA HA A 37 ALA HB% 1.0 1.999 5.827 1061 857 A 13 SER HBx A 20 CYS HA 1.0 1.999 6.155 1062 857 A 11 SER HBx A 20 CYS HA 1.0 1.999 6.155 1063 857 A 11 SER HBy A 20 CYS HA 1.0 1.999 6.155 1064 858 A 15 PRO HDy A 42 ALA HB% 1.0 1.971 5.067 1065 858 A 43 ALA HA A 42 ALA HB% 1.0 1.971 5.067 1066 859 A 37 ALA HB% A 15 PRO HDy 1.0 1.600 2.822 1067 859 A 15 PRO HDy A 15 PRO HGx 1.0 1.600 2.822 1068 860 A 43 ALA HA A 38 ASP HA 1.0 1.947 4.749 1069 860 A 14 CYS HBy A 15 PRO HDy 1.0 1.947 4.749 1070 861 A 43 ALA HA A 12 PHE HEx 1.0 1.786 3.600 1071 861 A 15 PRO HDy A 12 PHE HEx 1.0 1.786 3.600 1072 862 A 36 GLY HAy A 39 GLU HGx 1.0 1.723 3.597 1073 862 A 36 GLY HAy A 31 LYS HBy 1.0 1.723 3.597 1074 863 A 36 GLY HAy A 31 LYS HDx 1.0 1.676 3.106 1075 863 A 36 GLY HAy A 31 LYS HDy 1.0 1.676 3.106 1076 863 A 39 GLU HBx A 36 GLY HAy 1.0 1.676 3.106 1077 864 A 39 GLU HBx A 36 GLY HAx 1.0 1.697 3.191 1078 864 A 36 GLY HAx A 31 LYS HDx 1.0 1.697 3.191 1079 864 A 36 GLY HAx A 31 LYS HDy 1.0 1.697 3.191 1080 865 A 36 GLY HAx A 39 GLU HGx 1.0 1.752 3.430 1081 865 A 36 GLY HAx A 31 LYS HBy 1.0 1.752 3.430 1082 866 A 29 GLY HAy A 30 ASP HA 1.0 2.000 6.128 1083 866 A 29 GLY HAy A 28 ASP HA 1.0 2.000 6.128 1084 867 A 39 GLU HBy A 29 GLY HAx 1.0 2.000 5.932 1085 867 A 29 GLY HAx A 30 ASP HBy 1.0 2.000 5.932 1086 868 A 29 GLY HAx A 30 ASP HA 1.0 1.998 6.270 1087 868 A 29 GLY HAx A 28 ASP HA 1.0 1.998 6.270 1088 869 A 5 LYS HGx A 4 GLY HAy 1.0 1.995 6.399 1089 869 A 4 GLY HAx A 6 THR HG2% 1.0 1.995 6.399 1090 869 A 5 LYS HGx A 4 GLY HAx 1.0 1.995 6.399 1091 869 A 4 GLY HAy A 6 THR HG2% 1.0 1.995 6.399 1092 870 A 4 GLY HAx A 3 GLU HBy 1.0 1.994 5.578 1093 870 A 4 GLY HAy A 3 GLU HBy 1.0 1.994 5.578 1094 870 A 4 GLY HAx A 3 GLU HBx 1.0 1.994 5.578 1095 870 A 4 GLY HAy A 3 GLU HBx 1.0 1.994 5.578 1096 871 A 44 GLY HAx A 46 LEU HDy% 1.0 1.960 4.908 1097 871 A 41 ILE HG2% A 44 GLY HAx 1.0 1.960 4.908 1098 872 A 41 ILE HG2% A 44 GLY HAy 1.0 2.000 6.102 1099 872 A 44 GLY HAy A 46 LEU HDy% 1.0 2.000 6.102 1100 873 A 22 PRO HBy A 8 GLY HAx 1.0 1.858 4.012 1101 873 A 9 PRO HGx A 8 GLY HAx 1.0 1.858 4.012 1102 873 A 9 PRO HGy A 8 GLY HAx 1.0 1.858 4.012 1103 874 A 22 PRO HBx A 8 GLY HAy 1.0 1.993 6.507 1104 874 A 5 LYS HGy A 8 GLY HAy 1.0 1.993 6.507 1105 874 A 5 LYS HGx A 8 GLY HAy 1.0 1.993 6.507 1106 875 A 21 VAL HGy% A 32 ASP HBy 1.0 1.832 3.850 1107 875 A 12 PHE HBx A 21 VAL HGx% 1.0 1.832 3.850 1108 876 A 47 TYR HBx A 46 LEU HBx 1.0 1.997 6.301 1109 876 A 45 CYS HBy A 46 LEU HBx 1.0 1.997 6.301 1110 877 A 29 GLY HAy A 30 ASP HBx 1.0 1.995 6.399 1111 877 A 31 LYS HA A 30 ASP HBy 1.0 1.995 6.399 1112 877 A 29 GLY HAy A 30 ASP HBy 1.0 1.995 6.399 1113 878 A 5 LYS HGy A 5 LYS HEy 1.0 1.680 3.120 1114 878 A 5 LYS HGy A 5 LYS HEx 1.0 1.680 3.120 1115 878 A 31 LYS HGx A 31 LYS HEx 1.0 1.680 3.120 1116 878 A 31 LYS HGx A 31 LYS HEy 1.0 1.680 3.120 1117 879 A 38 ASP HBy A 21 VAL HGy% 1.0 1.767 3.499 1118 879 A 38 ASP HBy A 21 VAL HGx% 1.0 1.767 3.499 1119 880 A 38 ASP HBy A 39 GLU HGx 1.0 1.958 4.878 1120 880 A 38 ASP HBy A 26 LEU HBy 1.0 1.958 4.878 1121 881 A 38 ASP HBx A 37 ALA HB% 1.0 1.966 4.980 1122 881 A 38 ASP HBx A 39 GLU HGx 1.0 1.966 4.980 1123 882 A 38 ASP HBy A 40 SER H 1.0 1.962 4.932 1124 882 A 38 ASP HBy A 12 PHE HEx 1.0 1.962 4.932 1125 883 A 38 ASP HBx A 37 ALA H 1.0 1.997 6.333 1126 883 A 38 ASP HBx A 33 CYS H 1.0 1.997 6.333 1127 884 A 39 GLU HBx A 38 ASP HBx 1.0 1.993 6.507 1128 884 A 38 ASP HBx A 26 LEU HBx 1.0 1.993 6.507 1129 885 A 21 VAL HGy% A 26 LEU HBx 1.0 1.821 3.983 1130 885 A 26 LEU HBx A 21 VAL HGx% 1.0 1.821 3.983 1131 886 A 12 PHE HBy A 26 LEU HBx 1.0 2.000 5.978 1132 886 A 12 PHE HBx A 26 LEU HBx 1.0 2.000 5.978 1133 887 A 26 LEU HBy A 43 ALA HA 1.0 1.987 6.667 1134 887 A 26 LEU HBy A 24 ARG HA 1.0 1.987 6.667 1135 888 A 22 PRO HA A 7 CYS HBx 1.0 1.998 6.270 1136 888 A 7 CYS HBx A 6 THR HA 1.0 1.998 6.270 1137 889 A 22 PRO HA A 7 CYS HBy 1.0 1.999 6.211 1138 889 A 6 THR HB A 7 CYS HBy 1.0 1.999 6.211 1139 890 A 42 ALA HA A 41 ILE HB 1.0 1.993 5.531 1140 891 A 45 CYS H A 41 ILE HB 1.0 2.000 6.102 1141 891 A 41 ILE HB A 43 ALA H 1.0 2.000 6.102 1142 892 A 33 CYS HBy A 31 LYS HGx 1.0 1.980 5.226 1143 892 A 33 CYS HBy A 17 THR HG2% 1.0 1.980 5.226 1144 892 A 33 CYS HBy A 21 VAL HGx% 1.0 1.980 5.226 1145 893 A 33 CYS HBx A 21 VAL HGy% 1.0 1.991 5.487 1146 893 A 33 CYS HBx A 21 VAL HGx% 1.0 1.991 5.487 1147 894 A 38 ASP HBx A 33 CYS HBy 1.0 1.982 5.248 1148 894 A 33 CYS HBy A 32 ASP HBx 1.0 1.982 5.248 1149 895 A 39 GLU HGy A 39 GLU H 1.0 1.820 3.778 1150 895 A 39 GLU HGy A 30 ASP H 1.0 1.820 3.778 1151 896 A 29 GLY H A 39 GLU HGy 1.0 1.999 5.827 1152 896 A 39 GLU HGy A 28 ASP H 1.0 1.999 5.827 1153 897 A 38 ASP H A 39 GLU HGx 1.0 1.994 5.562 1154 897 A 39 GLU HGx A 28 ASP H 1.0 1.994 5.562 1155 898 A 23 GLU HBy A 23 GLU HGx 1.0 1.531 2.593 1156 898 A 23 GLU HBy A 23 GLU HGy 1.0 1.531 2.593 1157 898 A 23 GLU HBx A 23 GLU HGx 1.0 1.531 2.593 1158 898 A 23 GLU HBx A 23 GLU HGy 1.0 1.531 2.593 1159 899 A 23 GLU HGy A 24 ARG H 1.0 1.848 3.948 1160 899 A 23 GLU HGx A 24 ARG H 1.0 1.848 3.948 1161 899 A 23 GLU H A 23 GLU HGx 1.0 1.848 3.948 1162 899 A 23 GLU H A 23 GLU HGy 1.0 1.848 3.948 1163 900 A 14 CYS HBx A 15 PRO HBx 1.0 1.793 5.263 1164 900 A 14 CYS HBx A 15 PRO HGx 1.0 1.793 5.263 1165 901 A 45 CYS HBy A 46 LEU HG 1.0 1.979 5.215 1166 901 A 45 CYS HBy A 46 LEU HBx 1.0 1.979 5.215 1167 901 A 45 CYS HBy A 41 ILE HG12 1.0 1.979 5.215 1168 902 A 45 CYS HBy A 41 ILE HD1% 1.0 1.998 6.270 1169 902 A 45 CYS HBy A 46 LEU HDy% 1.0 1.998 6.270 1170 903 A 45 CYS HBy A 41 ILE H 1.0 1.993 6.507 1171 903 A 45 CYS HBy A 27 CYS H 1.0 1.993 6.507 1172 904 A 45 CYS HBy A 47 TYR H 1.0 1.999 5.807 1173 904 A 45 CYS HBy A 44 GLY H 1.0 1.999 5.807 1174 905 A 21 VAL HGy% A 21 VAL HB 1.0 1.570 2.720 1175 905 A 21 VAL HGx% A 21 VAL HB 1.0 1.570 2.720 1176 906 A 33 CYS HBx A 21 VAL HB 1.0 1.777 4.055 1177 906 A 21 VAL HB A 22 PRO HDy 1.0 1.777 4.055 1178 907 A 45 CYS HBx A 46 LEU HG 1.0 1.985 5.305 1179 907 A 45 CYS HBx A 41 ILE HG12 1.0 1.985 5.305 1180 908 A 45 CYS HBx A 47 TYR H 1.0 1.993 5.531 1181 908 A 45 CYS HBx A 44 GLY H 1.0 1.993 5.531 1182 909 A 19 VAL HB A 19 VAL HGy% 1.0 1.505 2.515 1183 909 A 19 VAL HGx% A 19 VAL HB 1.0 1.505 2.515 1184 910 A 23 GLU H A 22 PRO HBy 1.0 1.932 4.596 1185 910 A 22 PRO HBy A 8 GLY H 1.0 1.932 4.596 1186 911 A 15 PRO HBy A 15 PRO HBx 1.0 1.251 1.853 1187 911 A 9 PRO HBy A 9 PRO HBx 1.0 1.251 1.853 1188 912 A 39 GLU HBy A 31 LYS HEx 1.0 1.994 5.578 1189 912 A 39 GLU HBy A 31 LYS HEy 1.0 1.994 5.578 1190 912 A 39 GLU HBy A 27 CYS HBx 1.0 1.994 5.578 1191 913 A 39 GLU HBy A 29 GLY H 1.0 1.997 6.301 1192 913 A 39 GLU HBy A 28 ASP H 1.0 1.997 6.301 1193 914 A 23 GLU HBy A 24 ARG H 1.0 1.680 3.120 1194 914 A 23 GLU H A 23 GLU HBy 1.0 1.680 3.120 1195 915 A 12 PHE HBy A 23 GLU HBx 1.0 2.000 5.978 1196 915 A 12 PHE HBx A 23 GLU HBx 1.0 2.000 5.978 1197 916 A 41 ILE HD1% A 41 ILE HG12 1.0 1.543 2.633 1198 916 A 41 ILE HG2% A 41 ILE HG12 1.0 1.543 2.633 1199 917 A 41 ILE HG2% A 41 ILE HG13 1.0 1.503 2.509 1200 917 A 41 ILE HD1% A 41 ILE HG13 1.0 1.503 2.509 1201 918 A 48 ASN HBy A 41 ILE HG12 1.0 1.976 7.004 1202 918 A 48 ASN HBx A 41 ILE HG12 1.0 1.976 7.004 1203 919 A 48 ASN HBx A 41 ILE HG13 1.0 1.973 7.657 1204 919 A 48 ASN HBy A 41 ILE HG13 1.0 1.973 7.657 1205 920 A 9 PRO HGx A 24 ARG H 1.0 1.963 7.131 1206 920 A 9 PRO HGy A 24 ARG H 1.0 1.963 7.131 1207 920 A 8 GLY H A 9 PRO HGx 1.0 1.963 7.131 1208 920 A 8 GLY H A 9 PRO HGy 1.0 1.963 7.131 1209 921 A 21 VAL HGx% A 26 LEU HG 1.0 1.913 4.423 1210 921 A 43 ALA HB% A 26 LEU HG 1.0 1.913 4.423 1211 922 A 12 PHE HBx A 26 LEU HG 1.0 2.000 5.868 1212 922 A 12 PHE HBy A 26 LEU HG 1.0 2.000 5.868 1213 923 A 38 ASP HBy A 26 LEU HG 1.0 1.998 5.730 1214 923 A 38 ASP HBx A 26 LEU HG 1.0 1.998 5.730 1215 924 A 5 LYS HGy A 5 LYS HBx 1.0 1.870 4.092 1216 924 A 5 LYS HGx A 5 LYS HBy 1.0 1.870 4.092 1217 925 A 5 LYS HGy A 6 THR H 1.0 2.000 6.050 1218 925 A 5 LYS HGx A 25 TRP HZ2 1.0 2.000 6.050 1219 925 A 5 LYS HGx A 6 THR H 1.0 2.000 6.050 1220 926 A 38 ASP HBy A 26 LEU HDy% 1.0 1.865 4.057 1221 926 A 38 ASP HBx A 26 LEU HDy% 1.0 1.865 4.057 1222 927 A 26 LEU HDy% A 21 VAL HB 1.0 1.669 3.077 1223 927 A 26 LEU HDy% A 23 GLU HGx 1.0 1.669 3.077 1224 927 A 26 LEU HDy% A 23 GLU HGy 1.0 1.669 3.077 1225 928 A 21 VAL HGx% A 26 LEU HDy% 1.0 1.560 2.686 1226 928 A 21 VAL HGy% A 26 LEU HDy% 1.0 1.560 2.686 1227 929 A 46 LEU HBx A 46 LEU HDx% 1.0 1.461 2.387 1228 929 A 46 LEU HG A 46 LEU HDx% 1.0 1.461 2.387 1229 930 A 21 VAL HGy% A 22 PRO HDy 1.0 1.620 2.892 1230 930 A 21 VAL HGy% A 25 TRP HBx 1.0 1.620 2.892 1231 931 A 21 VAL HGy% A 32 ASP HBx 1.0 1.625 2.913 1232 931 A 38 ASP HBx A 21 VAL HGy% 1.0 1.625 2.913 1233 932 A 21 VAL HGy% A 12 PHE HDx 1.0 1.764 3.488 1234 932 A 21 VAL HGy% A 25 TRP HZ3 1.0 1.764 3.488 1235 933 A 21 VAL HGy% A 26 LEU HBx 1.0 1.814 4.146 1236 934 A 21 VAL HGy% A 22 PRO HGy 1.0 1.838 3.882 1237 934 A 21 VAL HGy% A 26 LEU HG 1.0 1.838 3.882 1238 935 A 25 TRP HE3 A 6 THR HG2% 1.0 2.000 5.868 1239 935 A 6 THR HG2% A 25 TRP HZ2 1.0 2.000 5.868 1240 936 A 6 THR H A 6 THR HG2% 1.0 1.999 6.155 1241 936 A 25 TRP HH2 A 6 THR HG2% 1.0 1.999 6.155 1242 937 A 26 LEU HDx% A 23 GLU HGy 1.0 1.931 4.575 1243 937 A 26 LEU HDx% A 21 VAL HB 1.0 1.931 4.575 1244 937 A 26 LEU HDx% A 23 GLU HGx 1.0 1.931 4.575 1245 938 A 12 PHE HBy A 26 LEU HDx% 1.0 1.730 3.334 1246 938 A 12 PHE HBx A 26 LEU HDx% 1.0 1.730 3.334 1247 939 A 39 GLU HA A 26 LEU HDx% 1.0 1.982 5.270 1248 939 A 12 PHE HA A 26 LEU HDx% 1.0 1.982 5.270 1249 940 A 14 CYS HBx A 19 VAL HGy% 1.0 1.776 3.548 1250 940 A 33 CYS HBx A 19 VAL HGy% 1.0 1.776 3.548 1251 941 A 32 ASP HBx A 19 VAL HGy% 1.0 1.811 4.033 1252 941 A 20 CYS HBx A 19 VAL HGy% 1.0 1.811 4.033 1253 942 A 12 PHE HDx A 19 VAL HGy% 1.0 1.979 5.215 1254 942 A 25 TRP HZ3 A 19 VAL HGy% 1.0 1.979 5.215 1255 943 A 14 CYS HBx A 19 VAL HGx% 1.0 1.791 3.621 1256 943 A 33 CYS HBx A 19 VAL HGy% 1.0 1.791 3.621 1257 944 A 32 ASP HBx A 19 VAL HGy% 1.0 1.958 4.886 1258 944 A 38 ASP HBx A 19 VAL HGy% 1.0 1.958 4.886 1259 944 A 20 CYS HBx A 19 VAL HGx% 1.0 1.958 4.886 1260 944 A 20 CYS HBx A 19 VAL HGy% 1.0 1.958 4.886 1261 945 A 21 VAL HGx% A 23 GLU HA 1.0 1.935 4.621 1262 945 A 25 TRP HBy A 21 VAL HGx% 1.0 1.935 4.621 1263 946 A 26 LEU HBy A 21 VAL HGx% 1.0 1.962 4.932 1264 946 A 21 VAL HGx% A 37 ALA HB% 1.0 1.962 4.932 1265 947 A 21 VAL HGx% A 23 GLU H 1.0 2.000 5.956 1266 947 A 26 LEU H A 21 VAL HGx% 1.0 2.000 5.956 1267 948 A 21 VAL HGx% A 33 CYS H 1.0 1.963 7.131 1268 948 A 36 GLY H A 17 THR HG2% 1.0 1.963 7.131 1269 949 A 35 ASP HBx A 37 ALA HB% 1.0 1.918 4.462 1270 949 A 38 ASP HBx A 37 ALA HB% 1.0 1.918 4.462 1271 950 A 14 CYS HBy A 37 ALA HB% 1.0 1.713 3.259 1272 950 A 33 CYS HBy A 37 ALA HB% 1.0 1.713 3.259 1273 951 A 14 CYS H A 37 ALA HB% 1.0 1.980 5.204 1274 951 A 37 ALA HB% A 36 GLY H 1.0 1.980 5.204 1275 952 A 43 ALA HB% A 26 LEU HA 1.0 1.904 4.344 1276 952 A 43 ALA HB% A 45 CYS HA 1.0 1.904 4.344 1277 953 A 12 PHE HBx A 43 ALA HB% 1.0 1.893 4.255 1278 953 A 43 ALA HB% A 45 CYS HBy 1.0 1.893 4.255 1279 954 A 38 ASP HBx A 43 ALA HB% 1.0 1.861 4.029 1280 954 A 38 ASP HBy A 43 ALA HB% 1.0 1.861 4.029 1281 955 A 43 ALA HB% A 37 ALA HB% 1.0 1.698 3.192 1282 955 A 43 ALA HB% A 26 LEU HG 1.0 1.698 3.192 1283 956 A 42 ALA HB% A 15 PRO HGx 1.0 1.652 3.014 1284 956 A 37 ALA HB% A 42 ALA HB% 1.0 1.652 3.014 1285 957 A 45 CYS HBy A 42 ALA HB% 1.0 1.977 5.363 1286 957 A 14 CYS HBx A 42 ALA HB% 1.0 1.977 5.363 1287 957 A 33 CYS HBx A 42 ALA HB% 1.0 1.977 5.363 1288 958 A 42 ALA HB% A 38 ASP HA 1.0 1.947 4.749 1289 958 A 44 GLY HAx A 42 ALA HB% 1.0 1.947 4.749 1290 959 A 14 CYS HBy A 34 ALA HB% 1.0 1.906 4.710 1291 959 A 33 CYS HBy A 34 ALA HB% 1.0 1.906 4.710 1292 960 A 14 CYS HBx A 34 ALA HB% 1.0 1.903 4.737 1293 960 A 33 CYS HBx A 34 ALA HB% 1.0 1.903 4.737 1294 961 A 45 CYS H A 41 ILE HG2% 1.0 1.916 4.444 1295 961 A 41 ILE HG2% A 43 ALA H 1.0 1.916 4.444 1296 962 A 41 ILE HD1% A 46 LEU HA 1.0 1.826 3.810 1297 963 A 41 ILE HD1% A 43 ALA H 1.0 1.999 5.889 1298 963 A 45 CYS H A 41 ILE HD1% 1.0 1.999 5.889 1299 964 A 6 THR HG2% A 25 TRP HZ2 1.0 1.963 7.131 1300 964 A 5 LYS HGx A 25 TRP HZ2 1.0 1.963 7.131 1301 965 A 46 LEU HDx% A 47 TYR HEx 1.0 1.981 6.803 1302 965 A 46 LEU HDy% A 47 TYR HEx 1.0 1.981 6.803 1303 966 A 46 LEU HG A 47 TYR HEx 1.0 1.973 6.957 1304 966 A 46 LEU HBx A 47 TYR HEx 1.0 1.973 6.957 1305 967 A 47 TYR HBy A 47 TYR HEx 1.0 1.973 5.085 1306 967 A 45 CYS HBy A 47 TYR HEx 1.0 1.973 5.085 1307 968 A 43 ALA HA A 12 PHE HZ 1.0 1.994 5.578 1308 968 A 15 PRO HDy A 12 PHE HZ 1.0 1.994 5.578 1309 969 A 33 CYS HBx A 12 PHE HEx 1.0 1.995 6.399 1310 969 A 14 CYS HBx A 12 PHE HEx 1.0 1.995 6.399 1311 969 A 12 PHE HBy A 12 PHE HEx 1.0 1.995 6.399 1312 970 A 12 PHE HEx A 21 VAL HB 1.0 1.976 6.904 1313 970 A 12 PHE HEx A 15 PRO HGy 1.0 1.976 6.904 1314 971 A 12 PHE HDx A 21 VAL H 1.0 1.996 5.626 1315 971 A 12 PHE H A 12 PHE HDx 1.0 1.996 5.626 1316 972 A 37 ALA HB% A 12 PHE HDx 1.0 1.993 6.507 1317 972 A 26 LEU HG A 12 PHE HDx 1.0 1.993 6.507 1318 973 A 38 ASP H A 21 VAL HGx% 1.0 1.989 5.417 1319 973 A 38 ASP H A 43 ALA HB% 1.0 1.989 5.417 1320 974 A 38 ASP H A 42 ALA HB% 1.0 2.000 6.064 1321 974 A 39 GLU HBx A 38 ASP H 1.0 2.000 6.064 1322 975 A 38 ASP H A 39 GLU HGy 1.0 1.958 7.198 1323 975 A 38 ASP H A 21 VAL HB 1.0 1.958 7.198 1324 976 A 38 ASP H A 38 ASP HA 1.0 1.772 3.524 1325 976 A 38 ASP H A 33 CYS HBy 1.0 1.772 3.524 1326 977 A 29 GLY H A 30 ASP HBy 1.0 1.959 4.903 1327 977 A 29 GLY H A 28 ASP HBx 1.0 1.959 4.903 1328 978 A 26 LEU H A 26 LEU HG 1.0 1.583 3.165 1329 978 A 26 LEU H A 26 LEU HBy 1.0 1.583 3.165 1330 979 A 26 LEU H A 25 TRP HBy 1.0 1.793 3.631 1331 979 A 26 LEU H A 23 GLU HA 1.0 1.793 3.631 1332 980 A 25 TRP HE1 A 22 PRO HBx 1.0 1.914 4.434 1333 980 A 25 TRP HE1 A 5 LYS HGy 1.0 1.914 4.434 1334 980 A 25 TRP HE1 A 5 LYS HGx 1.0 1.914 4.434 1335 981 A 22 PRO HA A 25 TRP HE1 1.0 1.958 7.198 1336 981 A 25 TRP HE1 A 6 THR HA 1.0 1.958 7.198 1337 982 A 35 ASP H A 35 ASP HBy 1.0 1.906 4.362 1338 982 A 35 ASP H A 31 LYS HEx 1.0 1.906 4.362 1339 982 A 35 ASP H A 31 LYS HEy 1.0 1.906 4.362 1340 983 A 11 SER H A 23 GLU HBx 1.0 1.966 7.086 1341 983 A 11 SER H A 9 PRO HBx 1.0 1.966 7.086 1342 984 A 12 PHE HBy A 11 SER H 1.0 1.869 8.383 1343 984 A 11 SER H A 7 CYS HBy 1.0 1.869 8.383 1344 985 A 39 GLU HBy A 32 ASP H 1.0 1.985 6.717 1345 985 A 32 ASP H A 30 ASP HBy 1.0 1.985 6.717 1346 986 A 39 GLU HBx A 32 ASP H 1.0 1.957 4.863 1347 986 A 32 ASP H A 31 LYS HGy 1.0 1.957 4.863 1348 987 A 31 LYS HGx A 32 ASP H 1.0 1.862 4.036 1349 987 A 21 VAL HGy% A 32 ASP H 1.0 1.862 4.036 1350 988 A 39 GLU H A 27 CYS HA 1.0 1.998 5.754 1351 988 A 39 GLU H A 26 LEU HA 1.0 1.998 5.754 1352 989 A 40 SER HBy A 39 GLU H 1.0 1.907 4.369 1353 989 A 39 GLU H A 31 LYS HA 1.0 1.907 4.369 1354 990 A 37 ALA HA A 39 GLU H 1.0 1.866 4.062 1355 990 A 36 GLY HAy A 39 GLU H 1.0 1.866 4.062 1356 991 A 39 GLU H A 38 ASP HA 1.0 1.819 3.775 1357 991 A 36 GLY HAx A 39 GLU H 1.0 1.819 3.775 1358 992 A 33 CYS HBx A 39 GLU H 1.0 1.974 5.116 1359 992 A 39 GLU H A 31 LYS HEx 1.0 1.974 5.116 1360 992 A 39 GLU H A 31 LYS HEy 1.0 1.974 5.116 1361 993 A 38 ASP HBy A 39 GLU H 1.0 1.954 4.838 1362 993 A 38 ASP HBx A 39 GLU H 1.0 1.954 4.838 1363 994 A 43 ALA HB% A 39 GLU H 1.0 1.891 4.243 1364 994 A 31 LYS HGx A 39 GLU H 1.0 1.891 4.243 1365 995 A 40 SER H A 37 ALA HB% 1.0 1.926 4.530 1366 995 A 39 GLU HGx A 40 SER H 1.0 1.926 4.530 1367 996 A 40 SER H A 45 CYS HBy 1.0 2.000 5.898 1368 996 A 40 SER H A 31 LYS HEx 1.0 2.000 5.898 1369 996 A 40 SER H A 31 LYS HEy 1.0 2.000 5.898 1370 996 A 40 SER H A 27 CYS HBx 1.0 2.000 5.898 1371 997 A 40 SER H A 39 GLU HA 1.0 1.732 3.342 1372 997 A 40 SER H A 40 SER HA 1.0 1.732 3.342 1373 998 A 26 LEU HBx A 24 ARG H 1.0 1.985 5.327 1374 998 A 24 ARG HGx A 24 ARG H 1.0 1.985 5.327 1375 999 A 26 LEU HBx A 25 TRP H 1.0 1.988 6.640 1376 999 A 25 TRP H A 24 ARG HGx 1.0 1.988 6.640 1377 1000 A 22 PRO HBx A 25 TRP H 1.0 1.982 5.244 1378 1000 A 21 VAL HGy% A 25 TRP H 1.0 1.982 5.244 1379 1001 A 39 GLU HGx A 33 CYS H 1.0 1.929 4.565 1380 1001 A 31 LYS HBy A 33 CYS H 1.0 1.929 4.565 1381 1002 A 31 LYS HGx A 33 CYS H 1.0 1.880 4.160 1382 1002 A 21 VAL HGy% A 33 CYS H 1.0 1.880 4.160 1383 1003 A 31 LYS HDx A 33 CYS H 1.0 1.990 5.466 1384 1003 A 39 GLU HBx A 33 CYS H 1.0 1.990 5.466 1385 1003 A 31 LYS HDy A 33 CYS H 1.0 1.990 5.466 1386 1003 A 31 LYS HBx A 33 CYS H 1.0 1.990 5.466 1387 1004 A 39 GLU HGy A 33 CYS H 1.0 1.985 6.717 1388 1004 A 33 CYS H A 21 VAL HB 1.0 1.985 6.717 1389 1005 A 45 CYS H A 41 ILE HG2% 1.0 2.000 6.110 1390 1005 A 45 CYS H A 41 ILE HD1% 1.0 2.000 6.110 1391 1006 A 45 CYS H A 46 LEU HDy% 1.0 1.998 5.754 1392 1006 A 45 CYS H A 41 ILE HD1% 1.0 1.998 5.754 1393 1007 A 45 CYS H A 46 LEU HG 1.0 1.969 5.049 1394 1007 A 45 CYS H A 41 ILE HG12 1.0 1.969 5.049 1395 1008 A 44 GLY H A 42 ALA HB% 1.0 1.919 4.473 1396 1008 A 44 GLY H A 41 ILE HG12 1.0 1.919 4.473 1397 1009 A 41 ILE HB A 44 GLY H 1.0 1.949 7.321 1398 1009 A 37 ALA HB% A 44 GLY H 1.0 1.949 7.321 1399 1010 A 44 GLY HAy A 44 GLY H 1.0 1.572 2.726 1400 1010 A 44 GLY H A 43 ALA HA 1.0 1.572 2.726 1401 1011 A 41 ILE HB A 43 ALA H 1.0 1.981 6.799 1402 1011 A 37 ALA HB% A 43 ALA H 1.0 1.981 6.799 1403 1012 A 39 GLU HBx A 30 ASP H 1.0 1.971 6.983 1404 1012 A 31 LYS HGy A 30 ASP H 1.0 1.971 6.983 1405 1013 A 21 VAL HGy% A 27 CYS H 1.0 1.959 4.903 1406 1013 A 43 ALA HB% A 27 CYS H 1.0 1.959 4.903 1407 1014 A 39 GLU HGx A 27 CYS H 1.0 1.845 3.927 1408 1014 A 26 LEU HBy A 27 CYS H 1.0 1.845 3.927 1409 1015 A 45 CYS HBx A 27 CYS H 1.0 1.999 6.209 1410 1015 A 39 GLU HGy A 27 CYS H 1.0 1.999 6.209 1411 1016 A 27 CYS H A 27 CYS HA 1.0 1.394 2.202 1412 1016 A 27 CYS H A 26 LEU HA 1.0 1.394 2.202 1413 1017 A 40 SER H A 27 CYS H 1.0 1.911 7.773 1414 1017 A 27 CYS H A 12 PHE HEx 1.0 1.911 7.773 1415 1018 A 41 ILE H A 42 ALA HB% 1.0 1.927 7.605 1416 1018 A 41 ILE H A 41 ILE HG12 1.0 1.927 7.605 1417 1019 A 23 GLU H A 23 GLU HBy 1.0 1.749 3.417 1418 1019 A 23 GLU HBx A 23 GLU H 1.0 1.749 3.417 1419 1020 A 12 PHE HBy A 13 SER H 1.0 1.959 4.889 1420 1020 A 12 PHE HBx A 13 SER H 1.0 1.959 4.889 1421 1021 A 39 GLU HBx A 28 ASP H 1.0 1.988 6.640 1422 1021 A 26 LEU HBx A 28 ASP H 1.0 1.988 6.640 1423 1022 A 46 LEU HG A 46 LEU H 1.0 1.763 3.479 1424 1022 A 46 LEU H A 46 LEU HBx 1.0 1.763 3.479 1425 1023 A 46 LEU H A 46 LEU HDy% 1.0 1.996 6.316 1426 1023 A 46 LEU H A 46 LEU HDx% 1.0 1.996 6.316 1427 1024 A 17 THR H A 16 GLY HAy 1.0 1.907 4.369 1428 1024 A 17 THR H A 15 PRO HA 1.0 1.907 4.369 1429 1025 A 17 THR H A 17 THR HB 1.0 1.991 5.491 1430 1025 A 17 THR H A 15 PRO HA 1.0 1.991 5.491 1431 1026 A 37 ALA H A 17 THR HG2% 1.0 1.999 5.823 1432 1026 A 21 VAL HGx% A 37 ALA H 1.0 1.999 5.823 1433 1026 A 31 LYS HGx A 37 ALA H 1.0 1.999 5.823 1434 1027 A 39 GLU HBx A 37 ALA H 1.0 2.000 5.860 1435 1027 A 37 ALA H A 42 ALA HB% 1.0 2.000 5.860 1436 1028 A 38 ASP HBx A 37 ALA H 1.0 1.999 5.789 1437 1028 A 35 ASP HBx A 37 ALA H 1.0 1.999 5.789 1438 1029 A 40 SER H A 37 ALA H 1.0 1.949 7.321 1439 1029 A 37 ALA H A 12 PHE HEx 1.0 1.949 7.321 1440 1030 A 40 SER HBy A 37 ALA H 1.0 1.985 6.717 1441 1030 A 31 LYS HA A 37 ALA H 1.0 1.985 6.717 1442 1030 A 37 ALA H A 15 PRO HDy 1.0 1.985 6.717 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 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 B 1 CA CA A 25 TRP O 1.0 1.8 2.5 2 2 B 1 CA CA A 28 ASP OD2 1.0 1.8 2.5 3 3 B 1 CA CA A 30 ASP O 1.0 1.8 2.5 4 4 B 1 CA CA A 32 ASP OD1 1.0 1.8 2.5 5 5 B 1 CA CA A 38 ASP OD1 1.0 1.8 2.5 6 6 B 1 CA CA A 39 GLU OE2 1.0 1.8 2.5 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 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 GLU H A 36 GLY O 1.0 1.7 2.2 2 2 A 36 GLY O A 39 GLU N 1.0 2.7 3.2 3 3 A 26 LEU H A 23 GLU O 1.0 1.7 2.2 4 4 A 23 GLU O A 26 LEU N 1.0 2.7 3.2 5 5 A 25 TRP H A 22 PRO O 1.0 1.7 2.2 6 6 A 22 PRO O A 25 TRP N 1.0 2.7 3.2 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 10 SER C A 11 SER N A 11 SER CA A 11 SER C 1.0 -183.0 -83.0 PHI 2 2 A 11 SER N A 11 SER CA A 11 SER C A 12 PHE N 1.0 118.0 178.0 PSI 3 3 A 11 SER C A 12 PHE N A 12 PHE CA A 12 PHE C 1.0 -154.0 -94.0 PHI 4 4 A 12 PHE N A 12 PHE CA A 12 PHE C A 13 SER N 1.0 99.0 159.0 PSI 5 5 A 12 PHE C A 13 SER N A 13 SER CA A 13 SER C 1.0 -147.0 -63.0 PHI 6 6 A 13 SER N A 13 SER CA A 13 SER C A 14 CYS N 1.0 88.0 148.0 PSI 7 7 A 13 SER C A 14 CYS N A 14 CYS CA A 14 CYS C 1.0 -133.0 -49.0 PHI 8 8 A 14 CYS N A 14 CYS CA A 14 CYS C A 15 PRO N 1.0 109.0 177.0 PSI 9 9 A 14 CYS C A 15 PRO N A 15 PRO CA A 15 PRO C 1.0 -92.0 -32.0 PHI 10 10 A 15 PRO N A 15 PRO CA A 15 PRO C A 16 GLY N 1.0 106.0 166.0 PSI 11 11 A 15 PRO C A 16 GLY N A 16 GLY CA A 16 GLY C 1.0 53.0 113.0 PHI 12 12 A 16 GLY N A 16 GLY CA A 16 GLY C A 17 THR N 1.0 -42.0 38.0 PSI 13 13 A 16 GLY C A 17 THR N A 17 THR CA A 17 THR C 1.0 -180.0 -52.0 PHI 14 14 A 17 THR N A 17 THR CA A 17 THR C A 18 HIS N 1.0 127.0 187.0 PSI 15 15 A 19 VAL C A 20 CYS N A 20 CYS CA A 20 CYS C 1.0 -144.0 -84.0 PHI 16 16 A 20 CYS N A 20 CYS CA A 20 CYS C A 21 VAL N 1.0 102.0 162.0 PSI 17 17 A 20 CYS C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -158.0 -86.0 PHI 18 18 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 PRO N 1.0 109.0 177.0 PSI 19 19 A 22 PRO C A 23 GLU N A 23 GLU CA A 23 GLU C 1.0 -81.0 -21.0 PHI 20 20 A 23 GLU N A 23 GLU CA A 23 GLU C A 24 ARG N 1.0 -71.0 -11.0 PSI 21 21 A 23 GLU C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -99.0 -39.0 PHI 22 22 A 24 ARG N A 24 ARG CA A 24 ARG C A 25 TRP N 1.0 -50.0 10.0 PSI 23 23 A 28 ASP C A 29 GLY N A 29 GLY CA A 29 GLY C 1.0 57.0 117.0 PHI 24 24 A 29 GLY N A 29 GLY CA A 29 GLY C A 30 ASP N 1.0 -28.0 32.0 PSI 25 25 A 30 ASP C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -117.0 -57.0 PHI 26 26 A 31 LYS N A 31 LYS CA A 31 LYS C A 32 ASP N 1.0 86.0 146.0 PSI 27 27 A 33 CYS C A 34 ALA N A 34 ALA CA A 34 ALA C 1.0 -86.0 -26.0 PHI 28 28 A 34 ALA N A 34 ALA CA A 34 ALA C A 35 ASP N 1.0 -67.0 1.0 PSI 29 29 A 34 ALA C A 35 ASP N A 35 ASP CA A 35 ASP C 1.0 -120.0 -60.0 PHI 30 30 A 35 ASP N A 35 ASP CA A 35 ASP C A 36 GLY N 1.0 -22.0 38.0 PSI 31 31 A 36 GLY C A 37 ALA N A 37 ALA CA A 37 ALA C 1.0 -96.0 -36.0 PHI 32 32 A 37 ALA N A 37 ALA CA A 37 ALA C A 38 ASP N 1.0 -67.0 -7.0 PSI 33 33 A 37 ALA C A 38 ASP N A 38 ASP CA A 38 ASP C 1.0 -99.0 -39.0 PHI 34 34 A 38 ASP N A 38 ASP CA A 38 ASP C A 39 GLU N 1.0 -45.0 15.0 PSI 35 35 A 39 GLU C A 40 SER N A 40 SER CA A 40 SER C 1.0 -127.0 -47.0 PHI 36 36 A 40 SER N A 40 SER CA A 40 SER C A 41 ILE N 1.0 138.0 198.0 PSI 37 37 A 40 SER C A 41 ILE N A 41 ILE CA A 41 ILE C 1.0 -88.0 -28.0 PHI 38 38 A 41 ILE N A 41 ILE CA A 41 ILE C A 42 ALA N 1.0 -66.0 -6.0 PSI 39 39 A 41 ILE C A 42 ALA N A 42 ALA CA A 42 ALA C 1.0 -95.0 -35.0 PHI 40 40 A 42 ALA N A 42 ALA CA A 42 ALA C A 43 ALA N 1.0 -56.0 4.0 PSI 41 41 A 42 ALA C A 43 ALA N A 43 ALA CA A 43 ALA C 1.0 -118.0 -58.0 PHI 42 42 A 43 ALA N A 43 ALA CA A 43 ALA C A 44 GLY N 1.0 -31.0 29.0 PSI 43 43 A 43 ALA C A 44 GLY N A 44 GLY CA A 44 GLY C 1.0 49.0 109.0 PHI 44 44 A 44 GLY N A 44 GLY CA A 44 GLY C A 45 CYS N 1.0 -10.0 50.0 PSI stop_ save_