data_nef_c25955_5frf save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 25956 PDB 5frf PDB 5frh stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 2 1 ZN ZN 1 14 CYS SG 2 1 ZN ZN 1 44 SER OG 2 1 ZN ZN 1 40 HIS NE2 2 1 ZN ZN 1 47 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A -2 GLY start . false 2 A -1 SER middle . . 3 A 0 HIS middle . . 4 A 1 MET middle . . 5 A 2 SER middle . . 6 A 3 ALA middle . . 7 A 4 GLY middle . false 8 A 5 GLU middle . . 9 A 6 PRO middle . false 10 A 7 HIS middle . . 11 A 8 GLU middle . . 12 A 9 THR middle . . 13 A 10 ASP middle . . 14 A 11 CYS middle -HG . 15 A 12 SER middle . . 16 A 13 GLU middle . . 17 A 14 ILE middle . . 18 A 15 LEU middle . . 19 A 16 ASP middle . . 20 A 17 HIS middle . . 21 A 18 LEU middle . . 22 A 19 TYR middle . . 23 A 20 GLU middle . . 24 A 21 PHE middle . . 25 A 22 LEU middle . . 26 A 23 ASP middle . . 27 A 24 LYS middle . . 28 A 25 GLU middle . . 29 A 26 MET middle . . 30 A 27 PRO middle . false 31 A 28 ASP middle . . 32 A 29 SER middle . . 33 A 30 ASP middle . . 34 A 31 ALA middle . . 35 A 32 VAL middle . . 36 A 33 LYS middle . . 37 A 34 PHE middle . . 38 A 35 GLU middle . . 39 A 36 HIS middle . . 40 A 37 HIS middle -HE2 . 41 A 38 PHE middle . . 42 A 39 GLU middle . . 43 A 40 GLU middle . . 44 A 41 SER middle . . 45 A 42 SER middle . . 46 A 43 PRO middle . true 47 A 44 CYS middle -HG . 48 A 45 LEU middle . . 49 A 46 GLU middle . . 50 A 47 LYS middle . . 51 A 48 TYR middle . . 52 A 49 GLY middle . false 53 A 50 LEU middle . . 54 A 51 GLU middle . . 55 A 52 GLN middle . . 56 A 53 ALA middle . . 57 A 54 VAL middle . . 58 A 55 LYS middle . . 59 A 56 LYS middle . . 60 A 57 LEU middle . . 61 A 58 VAL middle . . 62 A 59 LYS middle . . 63 A 60 ARG middle . . 64 A 61 ALA middle . . 65 A 62 ALA middle . . 66 A 63 GLY middle . false 67 A 64 GLN middle . . 68 A 65 ASP middle . . 69 A 66 ASP middle . . 70 A 67 VAL middle . . 71 A 68 PRO middle . false 72 A 69 GLY middle . false 73 A 70 ASP middle . . 74 A 71 LEU middle . . 75 A 72 ARG middle . . 76 A 73 ALA middle . . 77 A 74 LYS middle . . 78 A 75 VAL middle . . 79 A 76 MET middle . . 80 A 77 GLY middle . false 81 A 78 ARG middle . . 82 A 79 LEU middle . . 83 A 80 ASP middle . . 84 A 81 LEU middle . . 85 A 82 ILE middle . . 86 A 83 ARG middle . . 87 A 84 SER middle . . 88 A 85 GLY middle . false 89 A 86 GLN middle . . 90 A 87 SER middle . . 91 A 88 VAL middle . . 92 A 89 PRO middle . false 93 A 90 GLU middle . . 94 A 91 HIS middle . . 95 A 92 ASP middle . . 96 A 93 VAL middle . . 97 A 94 ALA middle . . 98 A 95 ALA middle . . 99 A 96 ALA middle . . 100 A 97 PRO middle . false 101 A 98 SER middle . . 102 A 99 SER middle . . 103 A 100 SER middle . . 104 A 101 ALA middle . . 105 A 102 PRO middle . false 106 A 103 GLN middle . . 107 A 104 GLU middle . . 108 A 105 SER end . . 109 B 1 ZN . . . stop_ save_ save_assigned_chem_shift_list _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET C C 13 176.064 . A 1 MET CA C 13 55.539 . A 1 MET CB C 13 32.713 . A 2 SER H H 1 8.358 0.005 A 2 SER HA H 1 4.422 0.011 A 2 SER HB2 H 1 3.849 . A 2 SER HB3 H 1 3.849 . A 2 SER C C 13 174.197 . A 2 SER CA C 13 58.284 . A 2 SER CB C 13 63.898 . A 2 SER N N 15 117.355 0.073 A 3 ALA H H 1 8.421 0.007 A 3 ALA HA H 1 4.318 0.006 A 3 ALA HB% H 1 1.375 0.013 A 3 ALA C C 13 177.945 0.001 A 3 ALA CA C 13 52.716 0.01 A 3 ALA CB C 13 19.150 . A 3 ALA N N 15 126.116 0.179 A 4 GLY H H 1 8.310 0.005 A 4 GLY HAx H 1 3.909 0.009 A 4 GLY HAy H 1 3.910 0.009 A 4 GLY C C 13 173.776 0.002 A 4 GLY CA C 13 45.225 0.226 A 4 GLY N N 15 108.046 0.07 A 5 GLU H H 1 8.136 0.007 A 5 GLU HA H 1 4.544 0.006 A 5 GLU HBx H 1 1.800 0.004 A 5 GLU HBy H 1 1.987 0.006 A 5 GLU HG2 H 1 2.226 0.004 A 5 GLU HG3 H 1 2.226 0.004 A 5 GLU C C 13 174.680 . A 5 GLU CA C 13 54.273 . A 5 GLU CB C 13 29.569 0.188 A 5 GLU N N 15 121.614 0.047 A 6 PRO HA H 1 4.332 . A 6 PRO HD2 H 1 3.644 . A 6 PRO C C 13 176.614 . A 6 PRO CA C 13 63.357 . A 6 PRO CB C 13 31.929 . A 7 HIS H H 1 8.339 . A 7 HIS HA H 1 4.602 0.007 A 7 HIS HBx H 1 3.061 0.017 A 7 HIS HBy H 1 3.078 0.011 A 7 HIS HD2 H 1 7.037 0.002 A 7 HIS HE1 H 1 6.796 . A 7 HIS C C 13 174.799 0.015 A 7 HIS CA C 13 55.742 0.227 A 7 HIS N N 15 118.843 0.103 A 8 GLU H H 1 8.363 0.022 A 8 GLU HA H 1 4.602 . A 8 GLU C C 13 176.476 . A 8 GLU CA C 13 56.569 0.013 A 8 GLU CB C 13 30.317 0.026 A 8 GLU N N 15 122.149 0.093 A 9 THR H H 1 8.493 0.007 A 9 THR HA H 1 4.338 0.004 A 9 THR HB H 1 4.002 0.003 A 9 THR HG2% H 1 0.937 0.014 A 9 THR C C 13 174.571 . A 9 THR CA C 13 61.834 0.011 A 9 THR CB C 13 70.400 0.196 A 9 THR N N 15 115.958 0.063 A 10 ASP H H 1 8.896 0.008 A 10 ASP HA H 1 4.906 0.003 A 10 ASP HBx H 1 2.743 0.007 A 10 ASP HBy H 1 2.914 0.006 A 10 ASP C C 13 177.750 0.006 A 10 ASP CA C 13 54.448 0.016 A 10 ASP CB C 13 42.033 0.093 A 10 ASP N N 15 125.384 0.073 A 11 CYS H H 1 8.473 0.003 A 11 CYS HA H 1 4.019 0.006 A 11 CYS HBx H 1 2.767 0.008 A 11 CYS HBy H 1 3.179 0.003 A 11 CYS C C 13 178.128 0.007 A 11 CYS CA C 13 63.710 0.04 A 11 CYS CB C 13 29.624 0.189 A 11 CYS N N 15 122.913 0.049 A 12 SER H H 1 8.622 0.004 A 12 SER HA H 1 4.217 0.005 A 12 SER HBx H 1 3.967 0.012 A 12 SER HBy H 1 3.987 0.011 A 12 SER C C 13 175.928 . A 12 SER CA C 13 61.345 0.089 A 12 SER CB C 13 62.681 0.062 A 12 SER N N 15 114.532 0.086 A 13 GLU H H 1 7.787 0.008 A 13 GLU HA H 1 4.602 0.014 A 13 GLU HBx H 1 1.859 0.014 A 13 GLU HBy H 1 2.016 0.005 A 13 GLU HGx H 1 2.220 . A 13 GLU HGy H 1 2.221 0.002 A 13 GLU C C 13 177.701 0.001 A 13 GLU CA C 13 56.031 0.1 A 13 GLU CB C 13 30.574 0.012 A 13 GLU N N 15 120.144 0.105 A 14 ILE H H 1 7.347 0.006 A 14 ILE HA H 1 3.908 0.006 A 14 ILE HB H 1 1.662 0.008 A 14 ILE HD1% H 1 0.265 0.002 A 14 ILE HG1x H 1 1.084 0.006 A 14 ILE HG1y H 1 1.086 0.006 A 14 ILE HG2% H 1 0.938 0.004 A 14 ILE C C 13 176.050 . A 14 ILE CA C 13 62.923 0.137 A 14 ILE CB C 13 38.431 0.061 A 14 ILE CG1 C 13 28.762 0.05 A 14 ILE N N 15 120.313 0.06 A 15 LEU H H 1 8.025 0.008 A 15 LEU HA H 1 3.900 0.003 A 15 LEU HBx H 1 1.459 0.017 A 15 LEU HBy H 1 1.779 0.009 A 15 LEU HDx% H 1 0.278 0.015 A 15 LEU HDy% H 1 0.370 0.008 A 15 LEU HG H 1 1.149 0.008 A 15 LEU C C 13 179.492 . A 15 LEU CA C 13 58.090 0.116 A 15 LEU CB C 13 40.121 0.106 A 15 LEU N N 15 120.240 0.032 A 16 ASP H H 1 7.549 0.007 A 16 ASP HA H 1 4.424 0.007 A 16 ASP HBx H 1 2.675 0.005 A 16 ASP HBy H 1 2.676 0.004 A 16 ASP C C 13 179.166 . A 16 ASP CA C 13 57.452 0.152 A 16 ASP CB C 13 40.067 0.084 A 16 ASP N N 15 119.922 0.061 A 17 HIS H H 1 8.008 0.023 A 17 HIS HA H 1 4.567 0.022 A 17 HIS HBx H 1 3.093 0.008 A 17 HIS HBy H 1 3.178 0.002 A 17 HIS HD1 H 1 6.996 0.001 A 17 HIS HD2 H 1 6.997 . A 17 HIS C C 13 179.340 . A 17 HIS CA C 13 58.845 0.014 A 17 HIS CB C 13 30.675 0.086 A 17 HIS N N 15 118.959 0.095 A 18 LEU H H 1 9.061 0.006 A 18 LEU HA H 1 4.115 0.005 A 18 LEU HBx H 1 1.526 0.008 A 18 LEU HBy H 1 1.762 0.015 A 18 LEU HDx% H 1 0.502 0.007 A 18 LEU HDy% H 1 0.811 0.005 A 18 LEU HG H 1 1.467 0.02 A 18 LEU C C 13 177.196 0.003 A 18 LEU CA C 13 57.841 0.098 A 18 LEU CB C 13 41.240 0.04 A 18 LEU CG C 13 31.845 0.021 A 18 LEU N N 15 122.465 0.095 A 19 TYR H H 1 8.253 0.005 A 19 TYR HA H 1 3.674 0.003 A 19 TYR HBx H 1 3.055 0.003 A 19 TYR HBy H 1 3.223 0.004 A 19 TYR HD1 H 1 6.968 0.002 A 19 TYR HD2 H 1 6.968 0.002 A 19 TYR HE1 H 1 6.773 0.007 A 19 TYR HE2 H 1 6.773 0.007 A 19 TYR C C 13 177.124 . A 19 TYR CA C 13 63.286 0.069 A 19 TYR CB C 13 38.476 0.081 A 19 TYR N N 15 119.831 0.079 A 20 GLU H H 1 7.857 0.017 A 20 GLU HA H 1 4.080 0.011 A 20 GLU HBx H 1 2.156 0.011 A 20 GLU HBy H 1 2.197 0.012 A 20 GLU HGx H 1 2.430 0.011 A 20 GLU HGy H 1 2.438 0.011 A 20 GLU C C 13 177.594 0.001 A 20 GLU CA C 13 59.460 0.158 A 20 GLU CB C 13 29.855 . A 20 GLU N N 15 117.283 0.053 A 21 PHE H H 1 8.076 0.009 A 21 PHE HA H 1 4.374 0.006 A 21 PHE HBx H 1 3.362 0.013 A 21 PHE HBy H 1 3.512 . A 21 PHE HD1 H 1 7.151 0.003 A 21 PHE HD2 H 1 7.151 0.003 A 21 PHE HE1 H 1 7.221 0.013 A 21 PHE HE2 H 1 7.221 0.013 A 21 PHE HZ H 1 7.244 0.025 A 21 PHE C C 13 177.289 . A 21 PHE CA C 13 61.161 0.278 A 21 PHE CB C 13 40.116 0.064 A 21 PHE N N 15 119.069 0.053 A 22 LEU H H 1 8.053 0.007 A 22 LEU HA H 1 3.891 0.004 A 22 LEU HBx H 1 1.770 0.015 A 22 LEU HBy H 1 2.043 0.014 A 22 LEU HDx% H 1 0.756 0.002 A 22 LEU HDy% H 1 0.842 0.006 A 22 LEU HG H 1 1.302 0.013 A 22 LEU C C 13 180.133 0.002 A 22 LEU CA C 13 56.947 0.086 A 22 LEU CB C 13 41.592 0.221 A 22 LEU N N 15 116.993 0.066 A 23 ASP H H 1 9.007 0.021 A 23 ASP HA H 1 4.135 0.006 A 23 ASP HBx H 1 2.368 0.008 A 23 ASP HBy H 1 2.496 0.005 A 23 ASP C C 13 177.287 . A 23 ASP CA C 13 57.391 0.092 A 23 ASP CB C 13 42.652 0.018 A 23 ASP N N 15 122.917 0.096 A 24 LYS H H 1 7.749 0.01 A 24 LYS HA H 1 4.227 0.004 A 24 LYS HBx H 1 1.711 0.003 A 24 LYS HBy H 1 1.984 0.013 A 24 LYS HD2 H 1 1.466 0.002 A 24 LYS HGy H 1 1.605 0.004 A 24 LYS HGx H 1 1.603 0.004 A 24 LYS C C 13 175.221 0.003 A 24 LYS CA C 13 55.429 0.102 A 24 LYS CB C 13 31.765 0.012 A 24 LYS N N 15 114.128 0.049 A 25 GLU H H 1 7.627 0.006 A 25 GLU HA H 1 3.646 0.009 A 25 GLU HBx H 1 2.006 0.012 A 25 GLU HBy H 1 2.008 0.013 A 25 GLU C C 13 175.515 . A 25 GLU CA C 13 57.643 0.091 A 25 GLU N N 15 115.083 0.106 A 26 MET H H 1 8.399 0.012 A 26 MET N N 15 121.614 0.091 A 27 PRO HA H 1 4.416 0.003 A 27 PRO HBx H 1 2.047 . A 27 PRO HBy H 1 2.298 0.004 A 27 PRO HDx H 1 3.829 . A 27 PRO HDy H 1 3.839 . A 27 PRO C C 13 178.117 . A 27 PRO CA C 13 63.076 . A 27 PRO CB C 13 32.015 . A 28 ASP H H 1 8.648 0.003 A 28 ASP HA H 1 4.451 0.02 A 28 ASP HBx H 1 2.740 0.009 A 28 ASP HBy H 1 2.741 0.009 A 28 ASP C C 13 178.730 0.003 A 28 ASP CA C 13 57.438 0.167 A 28 ASP CB C 13 40.712 0.041 A 28 ASP N N 15 122.579 0.071 A 29 SER H H 1 8.434 0.004 A 29 SER HA H 1 4.223 0.011 A 29 SER HBx H 1 3.909 0.005 A 29 SER HBy H 1 4.001 0.004 A 29 SER CA C 13 60.281 0.232 A 29 SER CB C 13 62.476 . A 29 SER N N 15 113.260 0.046 A 30 ASP H H 1 7.950 0.006 A 30 ASP HA H 1 4.799 0.01 A 30 ASP HBx H 1 2.905 0.01 A 30 ASP HBy H 1 2.913 0.012 A 30 ASP C C 13 176.717 . A 30 ASP CA C 13 55.321 0.035 A 30 ASP CB C 13 42.065 0.09 A 30 ASP N N 15 120.885 0.043 A 31 ALA H H 1 7.936 0.003 A 31 ALA HA H 1 3.821 0.012 A 31 ALA HB% H 1 1.586 0.007 A 31 ALA C C 13 178.800 0.006 A 31 ALA CA C 13 54.382 0.089 A 31 ALA CB C 13 18.814 0.028 A 31 ALA N N 15 122.428 0.057 A 32 VAL H H 1 7.389 0.009 A 32 VAL HA H 1 3.899 0.002 A 32 VAL HB H 1 2.131 0.007 A 32 VAL HGx% H 1 0.925 0.006 A 32 VAL HGy% H 1 0.986 0.011 A 32 VAL C C 13 177.324 0.003 A 32 VAL CA C 13 64.416 0.121 A 32 VAL CB C 13 31.380 . A 32 VAL N N 15 115.387 0.061 A 33 LYS H H 1 7.424 0.005 A 33 LYS HA H 1 4.023 0.01 A 33 LYS HBx H 1 1.388 0.014 A 33 LYS HBy H 1 1.394 0.01 A 33 LYS C C 13 177.010 0.002 A 33 LYS CA C 13 58.135 0.127 A 33 LYS CB C 13 31.468 0.037 A 33 LYS N N 15 119.112 0.056 A 34 PHE H H 1 7.324 0.006 A 34 PHE HA H 1 4.201 0.008 A 34 PHE HBx H 1 2.590 0.004 A 34 PHE HBy H 1 2.785 0.011 A 34 PHE HD1 H 1 6.834 0.003 A 34 PHE HD2 H 1 6.834 0.003 A 34 PHE HE1 H 1 6.594 0.001 A 34 PHE HE2 H 1 6.594 0.001 A 34 PHE HZ H 1 6.822 0.003 A 34 PHE C C 13 176.570 0.005 A 34 PHE CA C 13 59.532 0.023 A 34 PHE CB C 13 39.510 0.034 A 34 PHE N N 15 114.535 0.049 A 35 GLU H H 1 7.547 0.003 A 35 GLU HA H 1 3.708 0.005 A 35 GLU HBx H 1 2.084 0.001 A 35 GLU HBy H 1 2.100 0.011 A 35 GLU HGx H 1 2.259 0.003 A 35 GLU HGy H 1 2.362 0.006 A 35 GLU C C 13 178.890 . A 35 GLU CA C 13 60.119 0.066 A 35 GLU CB C 13 29.493 . A 35 GLU N N 15 118.053 0.042 A 36 HIS H H 1 7.959 0.006 A 36 HIS HBx H 1 3.052 . A 36 HIS HBy H 1 3.106 . A 36 HIS CA C 13 58.526 . A 36 HIS CB C 13 28.351 . A 37 HIS H H 1 7.160 0.015 A 37 HIS HA H 1 4.301 . A 37 HIS HBx H 1 2.829 0.001 A 37 HIS HBy H 1 3.040 . A 37 HIS HD1 H 1 7.371 . A 37 HIS HD2 H 1 6.655 0.001 A 37 HIS HE1 H 1 7.956 . A 37 HIS C C 13 177.091 0.004 A 37 HIS CA C 13 57.395 0.003 A 37 HIS CB C 13 29.042 0.005 A 37 HIS N N 15 117.894 0.11 A 38 PHE H H 1 7.411 0.003 A 38 PHE HA H 1 4.814 0.019 A 38 PHE HBx H 1 3.226 0.004 A 38 PHE HBy H 1 3.451 0.005 A 38 PHE HD1 H 1 7.366 0.005 A 38 PHE HD2 H 1 7.366 0.005 A 38 PHE HE1 H 1 7.125 0.002 A 38 PHE HE2 H 1 7.125 0.002 A 38 PHE HZ H 1 6.822 0.003 A 38 PHE C C 13 176.992 0.015 A 38 PHE CA C 13 57.118 0.046 A 38 PHE CB C 13 37.995 0.084 A 38 PHE N N 15 116.223 0.044 A 39 GLU H H 1 7.306 0.006 A 39 GLU HA H 1 4.434 0.006 A 39 GLU HBx H 1 1.874 0.005 A 39 GLU HBy H 1 2.250 0.006 A 39 GLU HGx H 1 2.369 0.001 A 39 GLU HGy H 1 2.376 0.011 A 39 GLU C C 13 176.006 0.004 A 39 GLU CA C 13 55.602 0.07 A 39 GLU CB C 13 30.215 0.088 A 39 GLU N N 15 116.357 0.066 A 40 GLU H H 1 6.790 0.01 A 40 GLU HA H 1 4.154 0.007 A 40 GLU HBx H 1 1.964 0.005 A 40 GLU HBy H 1 1.965 0.006 A 40 GLU HGx H 1 2.299 . A 40 GLU HGy H 1 2.422 0.004 A 40 GLU C C 13 175.839 0.003 A 40 GLU CA C 13 55.413 0.156 A 40 GLU CB C 13 30.349 0.115 A 40 GLU N N 15 119.229 0.041 A 41 SER H H 1 8.547 0.008 A 41 SER HA H 1 4.148 0.005 A 41 SER HBx H 1 3.875 0.001 A 41 SER HBy H 1 3.878 0.004 A 41 SER C C 13 175.801 0.06 A 41 SER CA C 13 61.353 0.109 A 41 SER CB C 13 62.454 0.004 A 41 SER N N 15 116.757 0.061 A 42 SER H H 1 8.156 0.005 A 42 SER HA H 1 3.849 0.005 A 42 SER HB2 H 1 3.653 0.004 A 42 SER HB3 H 1 3.653 0.004 A 42 SER C C 13 183.466 . A 42 SER CA C 13 54.811 . A 42 SER N N 15 115.937 0.064 A 43 PRO HA H 1 4.785 0.019 A 43 PRO HB2 H 1 2.055 . A 43 PRO C C 13 179.599 . A 43 PRO CA C 13 63.801 . A 43 PRO CB C 13 32.356 . A 44 CYS H H 1 9.291 0.004 A 44 CYS HA H 1 4.368 0.002 A 44 CYS HBx H 1 3.180 0.004 A 44 CYS HBy H 1 3.372 0.005 A 44 CYS C C 13 177.989 . A 44 CYS CA C 13 60.379 0.019 A 44 CYS CB C 13 29.232 0.071 A 44 CYS N N 15 130.697 0.061 A 48 TYR H H 1 8.255 . A 48 TYR HA H 1 4.203 0.005 A 48 TYR HBx H 1 2.435 0.006 A 48 TYR HBy H 1 3.408 0.007 A 48 TYR HD1 H 1 7.047 0.001 A 48 TYR HD2 H 1 7.047 0.001 A 48 TYR HE1 H 1 6.795 0.002 A 48 TYR HE2 H 1 6.795 0.002 A 48 TYR C C 13 176.096 . A 48 TYR CA C 13 56.453 . A 48 TYR CB C 13 40.296 0.021 A 49 GLY H H 1 8.042 0.006 A 49 GLY HAx H 1 3.899 . A 49 GLY HAy H 1 3.987 0.004 A 49 GLY C C 13 174.808 . A 49 GLY CA C 13 46.759 0.137 A 49 GLY N N 15 108.177 0.045 A 50 LEU H H 1 8.234 0.011 A 50 LEU HB2 H 1 1.632 . A 50 LEU HD1% H 1 0.666 0.002 A 50 LEU HD2% H 1 0.666 0.002 A 50 LEU C C 13 177.074 . A 50 LEU CA C 13 54.313 . A 50 LEU CB C 13 40.499 0.019 A 50 LEU N N 15 119.148 0.1 A 51 GLU HA H 1 3.661 0.005 A 51 GLU HB2 H 1 1.819 . A 51 GLU C C 13 176.910 . A 51 GLU CA C 13 61.384 . A 51 GLU CB C 13 29.618 . A 52 GLN H H 1 8.462 0.008 A 52 GLN HA H 1 3.894 0.006 A 52 GLN HBx H 1 2.005 0.007 A 52 GLN HBy H 1 2.089 0.002 A 52 GLN HE21 H 1 6.919 0.002 A 52 GLN HE22 H 1 7.664 0.002 A 52 GLN HGx H 1 2.370 0.002 A 52 GLN HGy H 1 2.435 0.004 A 52 GLN C C 13 178.810 0.005 A 52 GLN CA C 13 58.756 0.257 A 52 GLN CB C 13 27.950 0.257 A 52 GLN N N 15 116.798 0.052 A 52 GLN NE2 N 15 113.307 0.01 A 53 ALA H H 1 8.408 0.018 A 53 ALA HA H 1 3.968 0.004 A 53 ALA HB% H 1 1.306 0.011 A 53 ALA C C 13 179.040 0.003 A 53 ALA CA C 13 54.921 0.06 A 53 ALA CB C 13 19.076 . A 53 ALA N N 15 121.506 0.076 A 54 VAL H H 1 8.111 0.006 A 54 VAL HA H 1 3.491 0.005 A 54 VAL HB H 1 2.136 0.001 A 54 VAL HGx% H 1 0.817 0.004 A 54 VAL HGy% H 1 1.042 0.005 A 54 VAL C C 13 177.401 0.013 A 54 VAL CA C 13 67.007 0.148 A 54 VAL CB C 13 31.221 . A 54 VAL N N 15 114.988 0.044 A 55 LYS H H 1 7.962 0.003 A 55 LYS HA H 1 3.399 0.007 A 55 LYS HB2 H 1 1.498 0.007 A 55 LYS HB3 H 1 1.498 0.008 A 55 LYS HDx H 1 1.304 0.003 A 55 LYS HDy H 1 1.305 0.003 A 55 LYS HE2 H 1 2.484 . A 55 LYS HE3 H 1 2.484 . A 55 LYS HG2 H 1 1.307 0.002 A 55 LYS HG3 H 1 1.307 0.002 A 55 LYS C C 13 178.403 0.004 A 55 LYS CA C 13 60.488 0.262 A 55 LYS CB C 13 31.938 0.063 A 55 LYS N N 15 120.148 0.042 A 56 LYS H H 1 7.367 0.006 A 56 LYS HA H 1 3.947 0.006 A 56 LYS HBx H 1 1.742 0.01 A 56 LYS HBy H 1 1.891 0.013 A 56 LYS HD2 H 1 1.376 0.002 A 56 LYS HD3 H 1 1.376 0.002 A 56 LYS HE2 H 1 2.484 . A 56 LYS HE3 H 1 2.484 . A 56 LYS HG2 H 1 1.578 0.009 A 56 LYS HG3 H 1 1.578 0.009 A 56 LYS C C 13 178.358 0.004 A 56 LYS CA C 13 58.866 0.136 A 56 LYS CB C 13 32.341 0.199 A 56 LYS N N 15 116.082 0.073 A 57 LEU H H 1 7.640 0.003 A 57 LEU HA H 1 4.112 0.009 A 57 LEU HBx H 1 1.824 0.003 A 57 LEU HBy H 1 1.928 0.013 A 57 LEU HDx% H 1 0.825 0.006 A 57 LEU HDy% H 1 0.932 0.002 A 57 LEU HG H 1 1.540 0.004 A 57 LEU C C 13 178.590 0.002 A 57 LEU CA C 13 57.244 0.066 A 57 LEU CB C 13 42.489 0.199 A 57 LEU N N 15 117.621 0.045 A 58 VAL H H 1 8.167 0.006 A 58 VAL HA H 1 4.010 0.016 A 58 VAL HB H 1 2.236 0.014 A 58 VAL HGx% H 1 0.934 0.004 A 58 VAL HGy% H 1 0.944 0.011 A 58 VAL C C 13 176.502 0.002 A 58 VAL CA C 13 64.082 0.231 A 58 VAL CB C 13 32.167 0.131 A 58 VAL N N 15 114.653 0.066 A 59 LYS H H 1 7.876 0.013 A 59 LYS HA H 1 4.327 0.007 A 59 LYS HBx H 1 1.810 0.005 A 59 LYS HBy H 1 1.818 0.009 A 59 LYS HD2 H 1 1.617 0.001 A 59 LYS HD3 H 1 1.617 0.001 A 59 LYS HGx H 1 1.415 0.01 A 59 LYS HGy H 1 1.442 0.01 A 59 LYS C C 13 176.498 . A 59 LYS CA C 13 56.424 0.152 A 59 LYS CB C 13 31.426 0.006 A 59 LYS N N 15 119.823 0.056 A 60 ARG H H 1 7.941 0.008 A 60 ARG HA H 1 4.241 0.004 A 60 ARG HBx H 1 1.849 0.016 A 60 ARG HBy H 1 1.894 0.026 A 60 ARG HD2 H 1 2.906 0.008 A 60 ARG HD3 H 1 2.906 0.008 A 60 ARG HGx H 1 1.650 0.006 A 60 ARG HGy H 1 1.652 0.003 A 60 ARG C C 13 176.623 0.002 A 60 ARG CA C 13 56.603 0.184 A 60 ARG CB C 13 29.811 0.048 A 60 ARG N N 15 120.812 0.096 A 61 ALA H H 1 8.256 0.008 A 61 ALA HA H 1 4.310 0.007 A 61 ALA HB% H 1 1.392 0.008 A 61 ALA C C 13 177.350 0.002 A 61 ALA CA C 13 52.405 0.168 A 61 ALA CB C 13 19.363 0.069 A 61 ALA N N 15 124.471 0.029 A 62 ALA H H 1 8.186 0.013 A 62 ALA HA H 1 4.299 0.005 A 62 ALA HB% H 1 1.397 0.004 A 62 ALA C C 13 178.376 . A 62 ALA CA C 13 52.712 0.013 A 62 ALA CB C 13 18.965 0.023 A 62 ALA N N 15 122.609 0.069 A 63 GLY H H 1 8.408 0.005 A 63 GLY HAx H 1 3.914 0.009 A 63 GLY HAy H 1 4.024 0.009 A 63 GLY C C 13 174.408 0.003 A 63 GLY CA C 13 45.365 0.139 A 63 GLY N N 15 108.721 0.029 A 64 GLN H H 1 8.126 0.006 A 64 GLN HA H 1 4.339 0.01 A 64 GLN HBx H 1 1.974 0.006 A 64 GLN HBy H 1 2.120 0.004 A 64 GLN HE21 H 1 6.858 0.001 A 64 GLN HE22 H 1 7.604 0.001 A 64 GLN HGx H 1 2.315 0.003 A 64 GLN HGy H 1 2.316 0.002 A 64 GLN C C 13 175.648 . A 64 GLN CA C 13 55.880 0.207 A 64 GLN CB C 13 29.454 0.135 A 64 GLN N N 15 119.438 0.108 A 64 GLN NE2 N 15 112.645 0.001 A 65 ASP H H 1 8.350 0.009 A 65 ASP HA H 1 4.589 0.008 A 65 ASP HBx H 1 2.571 0.006 A 65 ASP HBy H 1 2.674 0.011 A 65 ASP C C 13 175.661 . A 65 ASP CA C 13 54.310 0.092 A 65 ASP CB C 13 41.308 0.042 A 65 ASP N N 15 120.629 0.049 A 66 ASP H H 1 8.256 0.011 A 66 ASP HA H 1 4.586 0.005 A 66 ASP HBx H 1 2.582 0.002 A 66 ASP HBy H 1 2.583 0.002 A 66 ASP C C 13 175.832 0.005 A 66 ASP CA C 13 54.135 0.047 A 66 ASP CB C 13 41.342 0.109 A 66 ASP N N 15 120.172 0.052 A 67 VAL H H 1 8.244 0.005 A 67 VAL HA H 1 4.328 0.003 A 67 VAL HB H 1 2.069 0.008 A 67 VAL HGx% H 1 0.931 0.003 A 67 VAL HGy% H 1 0.933 0.002 A 67 VAL C C 13 174.503 . A 67 VAL CA C 13 60.191 0.115 A 67 VAL CB C 13 32.530 0.055 A 67 VAL N N 15 121.653 0.094 A 68 PRO HA H 1 4.416 0.003 A 68 PRO HDx H 1 3.592 0.012 A 68 PRO HDy H 1 3.949 0.001 A 68 PRO C C 13 178.338 . A 68 PRO CA C 13 63.635 . A 69 GLY H H 1 8.759 0.007 A 69 GLY HAx H 1 3.867 0.009 A 69 GLY HAy H 1 3.965 0.008 A 69 GLY C C 13 174.808 . A 69 GLY CA C 13 46.563 0.216 A 69 GLY N N 15 110.046 0.078 A 70 ASP HA H 1 4.650 0.005 A 70 ASP HBx H 1 2.649 0.007 A 70 ASP HBy H 1 2.830 0.012 A 70 ASP C C 13 177.072 . A 70 ASP CA C 13 54.285 . A 70 ASP CB C 13 40.464 0.004 A 71 LEU H H 1 7.633 0.015 A 71 LEU HA H 1 4.013 0.007 A 71 LEU HBx H 1 1.598 0.015 A 71 LEU HBy H 1 1.731 0.004 A 71 LEU HDx% H 1 0.917 0.009 A 71 LEU HDy% H 1 0.930 0.001 A 71 LEU HG H 1 1.540 0.007 A 71 LEU C C 13 178.200 0.001 A 71 LEU CA C 13 58.369 0.175 A 71 LEU CB C 13 42.088 0.155 A 71 LEU N N 15 121.804 0.092 A 72 ARG H H 1 8.624 0.014 A 72 ARG HA H 1 3.678 0.006 A 72 ARG HB2 H 1 1.847 0.003 A 72 ARG HB3 H 1 1.847 0.003 A 72 ARG HDx H 1 3.057 0.002 A 72 ARG HDy H 1 3.223 . A 72 ARG HG2 H 1 1.752 0.005 A 72 ARG HG3 H 1 1.752 0.005 A 72 ARG C C 13 177.468 0.003 A 72 ARG CA C 13 60.786 0.175 A 72 ARG CB C 13 29.550 0.035 A 72 ARG N N 15 118.980 0.056 A 73 ALA H H 1 7.986 0.009 A 73 ALA HA H 1 4.067 0.005 A 73 ALA HB% H 1 1.445 0.008 A 73 ALA C C 13 181.517 0.002 A 73 ALA CA C 13 55.050 0.077 A 73 ALA CB C 13 18.181 0.062 A 73 ALA N N 15 120.288 0.037 A 74 LYS H H 1 8.146 0.004 A 74 LYS HA H 1 4.070 0.008 A 74 LYS HBx H 1 1.836 0.013 A 74 LYS HBy H 1 1.975 0.006 A 74 LYS HDx H 1 1.639 0.006 A 74 LYS HDy H 1 1.641 0.006 A 74 LYS C C 13 180.376 0.002 A 74 LYS CA C 13 59.441 0.141 A 74 LYS CB C 13 32.101 0.117 A 74 LYS N N 15 119.940 0.084 A 75 VAL H H 1 8.570 0.014 A 75 VAL HA H 1 3.475 0.006 A 75 VAL HB H 1 2.033 0.008 A 75 VAL HGx% H 1 0.753 0.006 A 75 VAL HGy% H 1 0.920 0.012 A 75 VAL C C 13 177.721 . A 75 VAL CA C 13 67.198 0.099 A 75 VAL CB C 13 31.043 0.25 A 75 VAL N N 15 120.988 0.049 A 76 MET H H 1 8.615 0.015 A 76 MET HA H 1 3.912 0.009 A 76 MET HBx H 1 2.024 0.018 A 76 MET HBy H 1 2.205 0.017 A 76 MET HE% H 1 1.679 0.001 A 76 MET HG2 H 1 2.602 0.003 A 76 MET HG3 H 1 2.602 0.003 A 76 MET C C 13 177.993 0.001 A 76 MET CA C 13 60.049 0.174 A 76 MET CB C 13 32.357 0.188 A 76 MET N N 15 119.093 0.036 A 77 GLY H H 1 8.246 0.01 A 77 GLY HAx H 1 3.896 0.004 A 77 GLY HAy H 1 3.982 0.003 A 77 GLY C C 13 176.647 0.003 A 77 GLY CA C 13 46.976 0.13 A 77 GLY N N 15 105.099 0.078 A 78 ARG H H 1 7.702 0.014 A 78 ARG HA H 1 4.240 0.007 A 78 ARG HB2 H 1 2.012 0.001 A 78 ARG HB3 H 1 2.012 0.001 A 78 ARG HD2 H 1 3.288 0.001 A 78 ARG HGx H 1 1.908 0.004 A 78 ARG HGy H 1 1.910 0.004 A 78 ARG C C 13 178.428 0.004 A 78 ARG CA C 13 58.413 . A 78 ARG CB C 13 29.106 . A 78 ARG N N 15 122.451 0.091 A 79 LEU H H 1 8.588 0.015 A 79 LEU HA H 1 3.974 0.009 A 79 LEU HBx H 1 2.244 0.003 A 79 LEU HBy H 1 2.247 0.005 A 79 LEU HDx% H 1 0.815 0.004 A 79 LEU HDy% H 1 0.864 0.006 A 79 LEU HG H 1 1.517 0.003 A 79 LEU CA C 13 58.150 0.065 A 79 LEU CB C 13 41.613 0.13 A 79 LEU N N 15 119.477 0.188 A 80 ASP H H 1 8.572 0.006 A 80 ASP HA H 1 4.414 0.008 A 80 ASP HBx H 1 2.665 0.004 A 80 ASP HBy H 1 2.885 0.009 A 80 ASP C C 13 179.127 . A 80 ASP CA C 13 57.505 0.197 A 80 ASP CB C 13 40.707 0.174 A 80 ASP N N 15 119.788 0.069 A 81 LEU H H 1 7.522 0.007 A 81 LEU HA H 1 4.049 0.01 A 81 LEU HBx H 1 1.790 0.013 A 81 LEU HBy H 1 1.978 0.001 A 81 LEU HDx% H 1 0.848 0.006 A 81 LEU HDy% H 1 0.938 0.006 A 81 LEU HG H 1 1.581 0.001 A 81 LEU C C 13 179.581 0.001 A 81 LEU CA C 13 58.061 0.125 A 81 LEU CB C 13 41.881 0.077 A 81 LEU N N 15 120.795 0.077 A 82 ILE H H 1 8.145 0.011 A 82 ILE HA H 1 3.750 0.008 A 82 ILE HB H 1 1.715 0.018 A 82 ILE HD1% H 1 0.724 0.006 A 82 ILE HG1x H 1 1.716 0.002 A 82 ILE HG1y H 1 1.730 0.023 A 82 ILE HG2% H 1 1.064 0.016 A 82 ILE C C 13 180.159 0.003 A 82 ILE CA C 13 64.959 0.206 A 82 ILE CB C 13 38.967 0.121 A 82 ILE N N 15 120.224 0.091 A 83 ARG H H 1 8.566 0.009 A 83 ARG HA H 1 4.018 0.004 A 83 ARG HBx H 1 1.834 0.002 A 83 ARG HBy H 1 1.840 0.004 A 83 ARG HE H 1 8.308 0.005 A 83 ARG HGx H 1 1.626 0.008 A 83 ARG HGy H 1 1.646 0.004 A 83 ARG C C 13 177.624 0.001 A 83 ARG CA C 13 58.892 0.093 A 83 ARG CB C 13 30.173 0.054 A 83 ARG N N 15 119.705 0.052 A 84 SER H H 1 7.758 0.011 A 84 SER HA H 1 4.443 0.011 A 84 SER HBx H 1 3.999 0.009 A 84 SER HBy H 1 4.071 0.005 A 84 SER C C 13 175.226 . A 84 SER CA C 13 59.231 0.008 A 84 SER CB C 13 64.034 0.15 A 84 SER N N 15 112.746 0.072 A 85 GLY H H 1 7.876 0.007 A 85 GLY HAx H 1 3.921 0.01 A 85 GLY HAy H 1 4.087 0.01 A 85 GLY C C 13 174.530 . A 85 GLY CA C 13 45.943 0.215 A 85 GLY N N 15 110.002 0.063 A 86 GLN H H 1 7.857 0.009 A 86 GLN HA H 1 4.384 0.01 A 86 GLN HBx H 1 1.842 0.012 A 86 GLN HBy H 1 2.148 0.005 A 86 GLN HE21 H 1 6.834 0.001 A 86 GLN HE22 H 1 7.521 0.001 A 86 GLN HGx H 1 2.283 0.007 A 86 GLN HGy H 1 2.365 0.007 A 86 GLN C C 13 175.336 0.001 A 86 GLN CA C 13 55.345 0.219 A 86 GLN CB C 13 30.201 . A 86 GLN N N 15 118.996 0.035 A 86 GLN NE2 N 15 112.655 0.016 A 87 SER H H 1 8.247 0.008 A 87 SER HA H 1 4.403 . A 87 SER HB2 H 1 3.793 0.01 A 87 SER HB3 H 1 3.793 0.01 A 87 SER C C 13 173.951 0.003 A 87 SER CA C 13 58.390 0.046 A 87 SER CB C 13 63.605 . A 87 SER N N 15 115.979 0.079 A 88 VAL H H 1 8.293 0.011 A 88 VAL HA H 1 4.406 0.006 A 88 VAL HB H 1 2.061 0.008 A 88 VAL HGx% H 1 0.945 0.01 A 88 VAL HGy% H 1 0.950 0.014 A 88 VAL C C 13 174.452 . A 88 VAL CA C 13 59.541 0.245 A 88 VAL CB C 13 32.544 0.097 A 88 VAL CG1 C 13 21.058 . A 88 VAL CG2 C 13 21.058 . A 88 VAL N N 15 122.595 0.081 A 89 PRO HA H 1 4.443 0.002 A 89 PRO HDx H 1 3.508 . A 89 PRO HDy H 1 3.883 0.019 A 89 PRO C C 13 176.451 . A 89 PRO CA C 13 63.041 . A 89 PRO CB C 13 32.169 . A 90 GLU H H 1 8.524 0.004 A 90 GLU HA H 1 4.141 0.005 A 90 GLU HBx H 1 1.876 0.003 A 90 GLU HBy H 1 1.967 0.011 A 90 GLU HGx H 1 2.184 0.006 A 90 GLU HGy H 1 2.255 0.009 A 90 GLU C C 13 178.074 . A 90 GLU CA C 13 57.030 0.228 A 90 GLU CB C 13 29.946 . A 90 GLU N N 15 120.287 0.109 A 91 HIS H H 1 7.895 0.017 A 91 HIS HA H 1 4.613 0.003 A 91 HIS HBx H 1 3.053 0.002 A 91 HIS HBy H 1 3.114 0.005 A 91 HIS HD2 H 1 6.994 0.001 A 91 HIS HE1 H 1 6.408 . A 91 HIS C C 13 174.718 . A 91 HIS CA C 13 55.543 0.012 A 91 HIS CB C 13 30.765 0.031 A 91 HIS N N 15 117.970 0.12 A 92 ASP H H 1 8.492 0.012 A 92 ASP HA H 1 4.580 0.009 A 92 ASP HBx H 1 2.581 0.004 A 92 ASP HBy H 1 2.654 0.011 A 92 ASP C C 13 176.868 0.001 A 92 ASP CA C 13 54.435 0.206 A 92 ASP CB C 13 41.546 0.165 A 92 ASP N N 15 122.558 0.051 A 93 VAL H H 1 8.233 0.011 A 93 VAL HA H 1 3.975 0.008 A 93 VAL HB H 1 2.058 0.012 A 93 VAL HGx% H 1 0.918 0.012 A 93 VAL HGy% H 1 0.923 0.011 A 93 VAL C C 13 175.532 0.002 A 93 VAL CA C 13 63.047 0.048 A 93 VAL CB C 13 32.470 0.129 A 93 VAL N N 15 122.029 0.073 A 94 ALA H H 1 8.436 0.004 A 94 ALA HA H 1 4.258 0.002 A 94 ALA HB% H 1 1.332 0.007 A 94 ALA C C 13 177.029 0.003 A 94 ALA CA C 13 52.150 0.117 A 94 ALA CB C 13 19.107 0.242 A 94 ALA N N 15 125.822 0.121 A 95 ALA H H 1 7.971 0.011 A 95 ALA HA H 1 4.256 0.002 A 95 ALA HB% H 1 1.338 . A 95 ALA C C 13 176.879 0.001 A 95 ALA N N 15 123.010 0.097 A 96 ALA H H 1 8.215 0.003 A 96 ALA HA H 1 4.535 . A 96 ALA HB% H 1 1.332 0.002 A 96 ALA C C 13 175.525 . A 96 ALA CA C 13 52.147 0.158 A 96 ALA N N 15 124.797 0.068 A 97 PRO HA H 1 4.389 0.011 A 97 PRO HDx H 1 3.613 0.004 A 97 PRO HDy H 1 3.741 0.003 A 97 PRO C C 13 177.069 . A 97 PRO CA C 13 63.062 . A 97 PRO CB C 13 32.025 . A 98 SER H H 1 8.450 0.005 A 98 SER HA H 1 4.420 0.013 A 98 SER HBx H 1 3.828 . A 98 SER HBy H 1 3.888 . A 98 SER C C 13 174.822 0.07 A 98 SER CA C 13 58.299 0.029 A 98 SER CB C 13 63.793 0.047 A 98 SER N N 15 116.269 0.075 A 99 SER H H 1 8.379 0.006 A 99 SER HA H 1 4.502 0.005 A 99 SER HBx H 1 3.887 . A 99 SER HBy H 1 3.893 0.006 A 99 SER CA C 13 58.300 . A 99 SER CB C 13 63.839 0.002 A 99 SER N N 15 117.801 0.082 A 100 SER H H 1 8.305 0.003 A 100 SER HA H 1 4.446 0.017 A 100 SER HB2 H 1 3.836 0.006 A 100 SER HB3 H 1 3.836 0.006 A 100 SER C C 13 173.633 . A 100 SER CA C 13 58.164 0.022 A 100 SER CB C 13 63.934 0.013 A 100 SER N N 15 117.799 0.113 A 101 ALA H H 1 8.229 0.007 A 101 ALA HA H 1 4.585 0.004 A 101 ALA HB% H 1 1.331 0.004 A 101 ALA C C 13 175.374 . A 101 ALA CA C 13 50.575 0.01 A 101 ALA CB C 13 18.200 0.089 A 101 ALA N N 15 127.188 0.056 A 102 PRO HA H 1 4.377 0.004 A 102 PRO HDx H 1 3.616 0.002 A 102 PRO HDy H 1 3.771 0.001 A 102 PRO C C 13 176.871 . A 102 PRO CA C 13 63.120 0.019 A 102 PRO CB C 13 31.997 . A 103 GLN H H 1 8.508 0.004 A 103 GLN HA H 1 4.308 0.003 A 103 GLN HBx H 1 1.968 0.006 A 103 GLN HBy H 1 2.090 0.007 A 103 GLN HGx H 1 2.372 0.005 A 103 GLN HGy H 1 2.380 . A 103 GLN C C 13 175.926 0.001 A 103 GLN CA C 13 55.725 0.031 A 103 GLN CB C 13 29.650 0.057 A 103 GLN N N 15 120.873 0.068 A 104 GLU H H 1 8.471 0.003 A 104 GLU HA H 1 4.328 0.007 A 104 GLU HBx H 1 1.913 0.006 A 104 GLU HBy H 1 2.082 0.006 A 104 GLU HGx H 1 2.242 0.006 A 104 GLU HGy H 1 2.250 0.002 A 104 GLU C C 13 175.580 0.003 A 104 GLU CA C 13 56.593 0.018 A 104 GLU CB C 13 30.508 0.18 A 104 GLU N N 15 123.034 0.044 A 105 SER H H 1 7.998 0.004 A 105 SER HA H 1 4.237 0.005 A 105 SER HB2 H 1 3.822 0.008 A 105 SER HB3 H 1 3.822 0.008 A 105 SER CA C 13 60.115 0.155 A 105 SER CB C 13 64.846 . A 105 SER N N 15 122.436 0.043 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 88 VAL HB A 88 VAL HA 1.0 1.8 2.8 2 2 A 103 GLN HA A 104 GLU H 1.0 1.8 3.5 3 3 A 54 VAL HA A 57 LEU HBx 1.0 1.8 3.5 4 4 A 17 HIS HBy A 14 ILE HD1% 1.0 1.8 5.0 5 5 A 14 ILE HD1% A 34 PHE HA 1.0 1.8 5.0 6 6 A 18 LEU HBx A 18 LEU HA 1.0 1.8 3.5 7 7 A 14 ILE HD1% A 14 ILE HG1y 1.0 1.8 3.5 8 7 A 14 ILE HD1% A 14 ILE HG1x 1.0 1.8 3.5 9 8 A 83 ARG H A 83 ARG HBx 1.0 1.8 2.8 10 9 A 12 SER H A 12 SER HA 1.0 1.8 3.5 11 10 A 22 LEU HDy% A 22 LEU HA 1.0 1.8 5.0 12 11 A 81 LEU HDy% A 78 ARG HA 1.0 1.8 3.5 13 12 A 56 LYS H A 56 LYS HBx 1.0 1.8 2.5 14 13 A 18 LEU HBy A 19 TYR H 1.0 1.8 3.5 15 14 A 9 THR HA A 9 THR HB 1.0 1.8 2.8 16 15 A 60 ARG H A 60 ARG HBx 1.0 1.8 3.5 17 16 A 82 ILE H A 82 ILE HG1y 1.0 1.8 3.5 18 17 A 65 ASP H A 64 GLN HBx 1.0 1.8 3.5 19 18 A 18 LEU HDx% A 34 PHE HZ 1.0 1.8 3.5 20 19 A 58 VAL H A 58 VAL HA 1.0 1.8 2.8 21 20 A 19 TYR HD% A 19 TYR HBy 1.0 1.8 3.5 22 21 A 20 GLU HA A 20 GLU HBx 1.0 1.8 2.8 23 22 A 79 LEU H A 79 LEU HDy% 1.0 1.8 5.0 24 23 A 82 ILE HD1% A 82 ILE HA 1.0 1.8 3.5 25 24 A 52 GLN HA A 52 GLN HBy 1.0 2.1 2.8 26 25 A 24 LYS HBx A 24 LYS HA 1.0 1.8 2.5 27 26 A 22 LEU H A 22 LEU HBx 1.0 1.8 3.5 28 27 A 82 ILE HG1y A 82 ILE HA 1.0 1.8 3.5 29 28 A 19 TYR HD% A 16 ASP HA 1.0 1.8 5.0 30 29 A 61 ALA H A 60 ARG HA 1.0 2.5 3.5 31 30 A 19 TYR HD% A 76 MET HA 1.0 1.8 5.0 32 31 A 85 GLY HAx A 85 GLY H 1.0 1.8 2.8 33 32 A 83 ARG HA A 83 ARG HBx 1.0 2.1 2.8 34 33 A 39 GLU H A 39 GLU HGx 1.0 1.8 5.0 35 33 A 39 GLU H A 39 GLU HGy 1.0 1.8 5.0 36 34 A 7 HIS HA A 7 HIS HD2 1.0 1.8 3.5 37 35 A 39 GLU H A 39 GLU HBy 1.0 2.5 3.5 38 36 A 74 LYS H A 74 LYS HBx 1.0 2.8 3.5 39 37 A 13 GLU H A 13 GLU HBx 1.0 1.8 3.5 40 38 A 20 GLU HGy A 20 GLU HBx 1.0 1.8 2.8 41 38 A 20 GLU HBx A 20 GLU HGx 1.0 1.8 2.8 42 39 A 54 VAL HA A 54 VAL HB 1.0 1.8 3.5 43 40 A 35 GLU HGx A 35 GLU HA 1.0 1.8 3.5 44 41 A 64 GLN HA A 66 ASP H 1.0 1.8 3.5 45 42 A 82 ILE H A 82 ILE HD1% 1.0 1.8 5.0 46 43 A 96 ALA H A 96 ALA HA 1.0 1.8 3.5 47 44 A 67 VAL H A 66 ASP HBy 1.0 1.8 2.8 48 44 A 67 VAL H A 66 ASP HBx 1.0 1.8 2.8 49 45 A 66 ASP H A 66 ASP HA 1.0 1.8 2.5 50 46 A 28 ASP H A 28 ASP HA 1.0 1.8 3.5 51 47 A 54 VAL HA A 54 VAL HGy% 1.0 1.8 3.5 52 48 A 101 ALA HA A 101 ALA HB% 1.0 1.8 2.5 53 49 A 7 HIS H A 7 HIS HBy 1.0 1.8 5.0 54 50 A 83 ARG H A 83 ARG HA 1.0 1.8 2.5 55 51 A 7 HIS HD2 A 7 HIS HBy 1.0 1.8 3.5 56 52 A 80 ASP HBy A 19 TYR HE% 1.0 1.8 5.0 57 53 A 28 ASP HA A 28 ASP HBy 1.0 1.8 3.5 58 54 A 57 LEU HBx A 57 LEU HA 1.0 1.8 2.8 59 55 A 15 LEU HDy% A 48 TYR HE% 1.0 1.8 5.0 60 56 A 92 ASP HBx A 92 ASP H 1.0 1.8 5.0 61 57 A 76 MET H A 73 ALA HB% 1.0 1.8 5.0 62 58 A 24 LYS HBx A 24 LYS H 1.0 1.8 3.5 63 59 A 40 GLU H A 40 GLU HGx 1.0 1.8 3.5 64 60 A 15 LEU HDy% A 15 LEU HG 1.0 1.8 5.0 65 61 A 63 GLY H A 63 GLY HAy 1.0 1.8 3.5 66 62 A 76 MET H A 76 MET HG2 1.0 1.8 2.8 67 62 A 76 MET H A 76 MET HG3 1.0 1.8 2.8 68 63 A 18 LEU HA A 18 LEU HG 1.0 1.8 3.5 69 64 A 54 VAL HA A 57 LEU HG 1.0 1.8 3.5 70 65 A 79 LEU HG A 79 LEU HA 1.0 1.8 2.8 71 66 A 13 GLU H A 13 GLU HGx 1.0 1.8 5.0 72 67 A 104 GLU HA A 103 GLN HGy 1.0 1.8 3.5 73 68 A 32 VAL HA A 32 VAL HB 1.0 1.8 2.5 74 69 A 10 ASP H A 10 ASP HA 1.0 1.8 5.0 75 70 A 69 GLY H A 69 GLY HAy 1.0 1.8 3.5 76 71 A 102 PRO HA A 103 GLN H 1.0 1.8 2.5 77 72 A 18 LEU HA A 21 PHE HBy 1.0 1.8 3.5 78 73 A 22 LEU H A 22 LEU HBy 1.0 1.8 3.5 79 74 A 10 ASP HA A 10 ASP HBy 1.0 1.8 3.5 80 75 A 4 GLY H A 4 GLY HAy 1.0 1.8 3.5 81 75 A 4 GLY H A 4 GLY HAx 1.0 1.8 3.5 82 76 A 15 LEU HDy% A 15 LEU HA 1.0 1.8 3.5 83 77 A 11 CYS H A 11 CYS HBy 1.0 1.8 3.5 84 78 A 19 TYR HD% A 22 LEU HBx 1.0 1.8 5.0 85 79 A 79 LEU H A 78 ARG HGy 1.0 1.8 3.5 86 79 A 79 LEU H A 78 ARG HGx 1.0 1.8 3.5 87 80 A 11 CYS H A 11 CYS HA 1.0 1.8 3.5 88 81 A 44 CYS H A 43 PRO HA 1.0 1.8 3.5 89 82 A 7 HIS H A 7 HIS HBx 1.0 1.8 5.0 90 83 A 37 HIS H A 37 HIS HA 1.0 1.8 3.5 91 84 A 90 GLU HGy A 90 GLU HA 1.0 1.8 3.5 92 85 A 18 LEU HBy A 15 LEU HA 1.0 1.8 2.8 93 86 A 59 LYS HA A 59 LYS HD2 1.0 1.8 3.5 94 86 A 59 LYS HA A 59 LYS HD3 1.0 1.8 3.5 95 87 A 82 ILE HA A 82 ILE HG2% 1.0 1.8 5.0 96 88 A 39 GLU HBy A 39 GLU HGx 1.0 1.8 2.8 97 88 A 39 GLU HGy A 39 GLU HBy 1.0 1.8 2.8 98 89 A 60 ARG HBx A 60 ARG HA 1.0 1.8 2.8 99 90 A 75 VAL H A 75 VAL HGy% 1.0 1.8 3.5 100 91 A 83 ARG H A 82 ILE HB 1.0 1.8 3.5 101 92 A 19 TYR HBy A 19 TYR HE% 1.0 1.8 5.0 102 93 A 19 TYR HE% A 79 LEU HG 1.0 3.3 5.0 103 94 A 88 VAL HA A 88 VAL H 1.0 1.8 2.5 104 95 A 19 TYR H A 19 TYR HBx 1.0 1.8 2.5 105 96 A 86 GLN HBx A 87 SER H 1.0 1.8 3.5 106 97 A 75 VAL HA A 75 VAL HB 1.0 1.8 2.8 107 98 A 56 LYS HBx A 56 LYS HA 1.0 1.8 2.8 108 99 A 72 ARG HA A 72 ARG HG2 1.0 1.8 2.8 109 99 A 72 ARG HA A 72 ARG HG3 1.0 1.8 2.8 110 100 A 66 ASP H A 66 ASP HBy 1.0 1.8 2.5 111 100 A 66 ASP H A 66 ASP HBx 1.0 1.8 2.5 112 101 A 92 ASP H A 92 ASP HBy 1.0 1.8 5.0 113 102 A 52 GLN HBy A 52 GLN HGy 1.0 1.8 2.8 114 103 A 90 GLU HA A 90 GLU HBx 1.0 1.8 2.8 115 104 A 80 ASP HA A 83 ARG HBx 1.0 1.8 3.5 116 105 A 40 GLU H A 37 HIS HA 1.0 1.8 5.0 117 106 A 72 ARG HA A 72 ARG HDy 1.0 1.8 3.5 118 107 A 88 VAL HA A 88 VAL HGx% 1.0 1.8 3.5 119 107 A 88 VAL HA A 88 VAL HGy% 1.0 1.8 3.5 120 108 A 19 TYR H A 18 LEU HDy% 1.0 1.8 5.0 121 109 A 19 TYR HD% A 20 GLU H 1.0 1.8 5.0 122 110 A 79 LEU H A 79 LEU HA 1.0 1.8 3.5 123 111 A 58 VAL H A 57 LEU H 1.0 1.8 3.5 124 112 A 56 LYS HA A 56 LYS HBy 1.0 1.8 2.8 125 113 A 25 GLU HA A 24 LYS HGx 1.0 1.8 3.5 126 114 A 7 HIS HA A 7 HIS HBy 1.0 1.8 3.5 127 115 A 75 VAL H A 75 VAL HGx% 1.0 1.8 3.5 128 116 A 90 GLU H A 90 GLU HGx 1.0 1.8 2.8 129 117 A 22 LEU HBx A 19 TYR HE% 1.0 1.8 5.0 130 118 A 74 LYS HBy A 74 LYS HDy 1.0 1.8 2.8 131 118 A 74 LYS HBy A 74 LYS HDx 1.0 1.8 2.8 132 119 A 22 LEU HBx A 23 ASP H 1.0 1.8 5.0 133 120 A 66 ASP H A 65 ASP HBy 1.0 1.8 2.8 134 121 A 41 SER H A 42 SER H 1.0 1.8 3.5 135 122 A 59 LYS HA A 59 LYS HGy 1.0 1.8 3.5 136 123 A 19 TYR HE% A 19 TYR HA 1.0 1.8 5.0 137 124 A 54 VAL HB A 38 PHE HZ 1.0 1.8 3.5 138 125 A 104 GLU HA A 104 GLU HBy 1.0 1.8 2.8 139 126 A 72 ARG H A 71 LEU HBy 1.0 1.8 3.5 140 127 A 54 VAL HGx% A 15 LEU HDx% 1.0 1.8 5.0 141 128 A 90 GLU HGy A 90 GLU HBx 1.0 1.8 2.8 142 129 A 39 GLU H A 39 GLU HA 1.0 1.8 2.8 143 130 A 79 LEU H A 79 LEU HG 1.0 3.3 5.0 144 131 A 82 ILE H A 81 LEU H 1.0 1.8 2.8 145 132 A 5 GLU H A 5 GLU HBy 1.0 1.8 2.8 146 133 A 88 VAL H A 87 SER HB2 1.0 1.8 3.5 147 133 A 88 VAL H A 87 SER HB3 1.0 1.8 3.5 148 134 A 73 ALA HB% A 73 ALA HA 1.0 1.8 2.8 149 135 A 76 MET HA A 19 TYR HE% 1.0 1.8 5.0 150 136 A 38 PHE HA A 38 PHE HD% 1.0 1.8 5.0 151 137 A 20 GLU HA A 20 GLU HGy 1.0 1.8 3.5 152 138 A 42 SER H A 42 SER HA 1.0 1.8 3.5 153 139 A 64 GLN HBy A 64 GLN HGy 1.0 1.8 2.5 154 140 A 67 VAL HA A 67 VAL HGx% 1.0 1.8 2.8 155 141 A 52 GLN H A 52 GLN HBx 1.0 1.8 3.5 156 142 A 67 VAL HA A 68 PRO HDy 1.0 1.8 2.5 157 143 A 19 TYR HE% A 76 MET HG2 1.0 1.8 5.0 158 143 A 19 TYR HE% A 76 MET HG3 1.0 1.8 5.0 159 144 A 59 LYS H A 59 LYS HBx 1.0 1.8 3.5 160 145 A 10 ASP HA A 11 CYS H 1.0 1.8 2.8 161 146 A 52 GLN HBx A 53 ALA H 1.0 1.8 3.5 162 147 A 32 VAL HB A 29 SER HA 1.0 1.8 3.5 163 148 A 58 VAL HA A 59 LYS H 1.0 2.5 3.5 164 149 A 82 ILE HD1% A 15 LEU HDy% 1.0 1.8 5.0 165 150 A 73 ALA H A 72 ARG HG2 1.0 1.8 3.5 166 150 A 72 ARG HG3 A 73 ALA H 1.0 1.8 3.5 167 151 A 57 LEU HA A 60 ARG HBy 1.0 1.8 2.8 168 152 A 74 LYS HA A 74 LYS HDy 1.0 1.8 2.5 169 152 A 74 LYS HDx A 74 LYS HA 1.0 1.8 2.5 170 153 A 75 VAL HGy% A 75 VAL HA 1.0 1.8 3.5 171 154 A 22 LEU HBy A 23 ASP H 1.0 1.8 3.5 172 155 A 60 ARG HA A 60 ARG HGy 1.0 1.8 2.5 173 155 A 60 ARG HA A 60 ARG HGx 1.0 1.8 2.5 174 156 A 96 ALA HA A 97 PRO HDy 1.0 1.8 2.8 175 157 A 24 LYS HA A 24 LYS HBy 1.0 1.8 2.8 176 158 A 72 ARG H A 72 ARG HB2 1.0 1.8 2.8 177 158 A 72 ARG H A 72 ARG HB3 1.0 1.8 2.8 178 159 A 11 CYS HA A 11 CYS HBx 1.0 1.8 3.5 179 160 A 31 ALA H A 31 ALA HA 1.0 1.8 3.5 180 161 A 18 LEU HBx A 18 LEU H 1.0 1.8 3.5 181 162 A 18 LEU HA A 19 TYR H 1.0 1.8 5.0 182 163 A 13 GLU HBy A 13 GLU HA 1.0 1.8 5.0 183 164 A 67 VAL H A 67 VAL HA 1.0 1.8 2.8 184 165 A 17 HIS HBx A 14 ILE HA 1.0 1.8 3.5 185 166 A 87 SER H A 86 GLN HBy 1.0 1.8 3.5 186 167 A 64 GLN HBx A 64 GLN HGy 1.0 1.8 2.5 187 168 A 18 LEU HBx A 19 TYR H 1.0 1.8 3.5 188 169 A 82 ILE HA A 82 ILE HG1x 1.0 1.8 3.5 189 170 A 20 GLU HGy A 20 GLU HBy 1.0 1.8 3.5 190 170 A 20 GLU HBy A 20 GLU HGx 1.0 1.8 3.5 191 171 A 13 GLU HA A 13 GLU HGx 1.0 1.8 5.0 192 172 A 72 ARG H A 72 ARG HG2 1.0 1.8 2.5 193 172 A 72 ARG HG3 A 72 ARG H 1.0 1.8 2.5 194 173 A 56 LYS HA A 56 LYS HG2 1.0 1.8 2.8 195 173 A 56 LYS HA A 56 LYS HG3 1.0 1.8 2.8 196 174 A 7 HIS HA A 7 HIS HBx 1.0 1.8 3.5 197 175 A 54 VAL HGy% A 18 LEU HDy% 1.0 1.8 5.0 198 176 A 17 HIS HBy A 14 ILE HA 1.0 1.8 3.5 199 177 A 53 ALA H A 53 ALA HB% 1.0 1.8 3.5 200 178 A 64 GLN HA A 64 GLN HBy 1.0 1.8 2.8 201 179 A 84 SER H A 83 ARG HBy 1.0 1.8 4.0 202 180 A 68 PRO HDy A 68 PRO HDx 1.0 1.8 2.5 203 181 A 76 MET HBx A 76 MET HG2 1.0 1.8 3.5 204 181 A 76 MET HG3 A 76 MET HBx 1.0 1.8 3.5 205 182 A 74 LYS H A 74 LYS HBy 1.0 1.8 3.5 206 183 A 79 LEU H A 79 LEU HDx% 1.0 1.8 5.0 207 184 A 7 HIS HD2 A 7 HIS HBx 1.0 1.8 3.5 208 185 A 76 MET HBx A 76 MET HBy 1.0 1.8 2.8 209 186 A 39 GLU H A 38 PHE HBy 1.0 1.8 3.5 210 187 A 39 GLU HBy A 40 GLU H 1.0 1.8 2.8 211 188 A 56 LYS H A 56 LYS HBy 1.0 2.5 3.5 212 189 A 60 ARG HA A 60 ARG HBy 1.0 1.8 2.8 213 190 A 52 GLN HBy A 52 GLN HGx 1.0 1.8 2.5 214 191 A 83 ARG HA A 83 ARG HGx 1.0 1.8 2.5 215 192 A 52 GLN HA A 55 LYS HB3 1.0 1.8 5.0 216 192 A 52 GLN HA A 55 LYS HB2 1.0 1.8 5.0 217 193 A 5 GLU HBx A 5 GLU HA 1.0 1.8 4.0 218 194 A 91 HIS HA A 91 HIS HBy 1.0 1.8 2.8 219 195 A 22 LEU HBx A 22 LEU HBy 1.0 1.8 5.0 220 196 A 39 GLU HA A 39 GLU HGx 1.0 1.8 4.0 221 197 A 93 VAL HA A 93 VAL HGy% 1.0 1.8 4.0 222 198 A 25 GLU HA A 25 GLU HBx 1.0 1.8 4.0 223 198 A 25 GLU HA A 25 GLU HBy 1.0 1.8 4.0 224 199 A 14 ILE HB A 14 ILE HG1y 1.0 1.8 5.0 225 199 A 14 ILE HG1x A 14 ILE HB 1.0 1.8 5.0 226 200 A 104 GLU HBx A 104 GLU HGy 1.0 1.8 2.5 227 201 A 14 ILE HB A 14 ILE HG2% 1.0 1.8 5.0 228 202 A 83 ARG HA A 83 ARG HGy 1.0 1.8 2.5 229 203 A 87 SER HA A 90 GLU HBy 1.0 1.8 4.0 230 204 A 14 ILE HA A 17 HIS HD2 1.0 1.8 4.0 231 205 A 104 GLU HA A 104 GLU HGx 1.0 1.8 5.0 232 206 A 104 GLU HBy A 104 GLU HBx 1.0 1.8 2.5 233 207 A 53 ALA HA A 56 LYS HG2 1.0 1.8 4.0 234 207 A 56 LYS HG3 A 53 ALA HA 1.0 1.8 4.0 235 208 A 76 MET HA A 76 MET HBy 1.0 1.8 4.0 236 209 A 38 PHE HA A 38 PHE HBx 1.0 1.8 3.5 237 210 A 56 LYS HBy A 56 LYS HG2 1.0 1.8 4.0 238 210 A 56 LYS HBy A 56 LYS HG3 1.0 1.8 4.0 239 211 A 104 GLU HBy A 104 GLU HGx 1.0 1.8 2.5 240 212 A 71 LEU HA A 71 LEU HBx 1.0 1.8 2.8 241 213 A 11 CYS HBx A 44 CYS HBx 1.0 1.8 4.0 242 214 A 22 LEU HBy A 22 LEU HG 1.0 1.8 4.0 243 215 A 38 PHE HD% A 38 PHE HBy 1.0 1.8 3.5 244 216 A 12 SER HA A 12 SER HBy 1.0 1.8 4.0 245 217 A 20 GLU HA A 20 GLU HBy 1.0 1.8 2.8 246 218 A 15 LEU H A 15 LEU HBx 1.0 1.8 5.0 247 219 A 22 LEU HA A 22 LEU HBy 1.0 1.8 5.0 248 220 A 64 GLN HBy A 64 GLN HGy 1.0 1.8 2.8 249 220 A 64 GLN HBy A 64 GLN HGx 1.0 1.8 2.8 250 221 A 83 ARG HGy A 83 ARG HBy 1.0 1.8 2.8 251 222 A 15 LEU HA A 15 LEU H 1.0 1.8 5.0 252 223 A 88 VAL HA A 89 PRO HDx 1.0 1.8 4.0 253 224 A 80 ASP HA A 80 ASP HBx 1.0 1.8 2.8 254 225 A 44 CYS HBx A 44 CYS HA 1.0 1.8 2.8 255 226 A 9 THR HB A 9 THR HG2% 1.0 1.8 6.0 256 227 A 88 VAL HB A 88 VAL HGx% 1.0 1.8 2.5 257 227 A 88 VAL HB A 88 VAL HGy% 1.0 1.8 2.5 258 228 A 57 LEU HA A 60 ARG HGy 1.0 1.8 4.0 259 228 A 57 LEU HA A 60 ARG HGx 1.0 1.8 4.0 260 229 A 33 LYS HA A 33 LYS HBy 1.0 1.8 4.0 261 229 A 33 LYS HA A 33 LYS HBx 1.0 1.8 4.0 262 230 A 103 GLN HA A 103 GLN HBx 1.0 1.8 4.0 263 231 A 71 LEU HA A 71 LEU HDx% 1.0 1.8 2.8 264 232 A 67 VAL HA A 68 PRO HDx 1.0 1.8 2.5 265 233 A 81 LEU HBx A 81 LEU HA 1.0 1.8 5.0 266 234 A 53 ALA HB% A 53 ALA HA 1.0 1.8 3.5 267 235 A 56 LYS HBy A 53 ALA HA 1.0 1.8 5.0 268 236 A 84 SER HA A 84 SER HBx 1.0 1.8 2.8 269 237 A 18 LEU HG A 18 LEU HDy% 1.0 1.8 3.5 270 238 A 30 ASP HA A 30 ASP HBy 1.0 1.8 2.8 271 238 A 30 ASP HBx A 30 ASP HA 1.0 1.8 2.8 272 239 A 81 LEU HBx A 81 LEU HG 1.0 1.8 4.0 273 240 A 94 ALA HA A 94 ALA HB% 1.0 1.8 2.8 274 241 A 18 LEU HA A 21 PHE HBx 1.0 1.8 3.5 275 242 A 16 ASP HA A 16 ASP H 1.0 1.8 3.5 276 243 A 55 LYS H A 55 LYS HB3 1.0 1.8 3.5 277 243 A 55 LYS HB2 A 55 LYS H 1.0 1.8 3.5 278 244 A 99 SER HBy A 99 SER HA 1.0 1.8 2.8 279 245 A 88 VAL HA A 91 HIS HE1 1.0 1.8 4.0 280 246 A 39 GLU HBy A 39 GLU HBx 1.0 1.8 2.5 281 247 A 90 GLU HA A 90 GLU H 1.0 1.8 2.5 282 248 A 13 GLU HBx A 13 GLU HA 1.0 1.8 5.0 283 249 A 28 ASP HA A 31 ALA HB% 1.0 1.8 5.0 284 250 A 18 LEU HA A 18 LEU HDy% 1.0 1.8 3.5 285 251 A 86 GLN HA A 89 PRO HDy 1.0 1.8 4.0 286 252 A 41 SER HA A 41 SER HBy 1.0 1.8 4.0 287 253 A 90 GLU HA A 90 GLU HBy 1.0 1.8 2.5 288 254 A 79 LEU HDy% A 79 LEU HBy 1.0 1.8 6.0 289 254 A 79 LEU HDy% A 79 LEU HBx 1.0 1.8 6.0 290 255 A 74 LYS HBx A 74 LYS HA 1.0 1.8 2.5 291 256 A 63 GLY HAy A 63 GLY HAx 1.0 1.8 2.5 292 257 A 103 GLN HBx A 103 GLN HBy 1.0 1.8 2.5 293 258 A 84 SER HA A 84 SER HBy 1.0 1.8 2.8 294 259 A 82 ILE HA A 82 ILE HB 1.0 1.8 4.0 295 260 A 21 PHE HBx A 21 PHE HA 1.0 1.8 6.0 296 261 A 82 ILE H A 82 ILE HB 1.0 1.8 2.8 297 262 A 14 ILE HA A 14 ILE HG2% 1.0 1.8 5.0 298 263 A 35 GLU HA A 35 GLU HBx 1.0 1.8 2.8 299 264 A 40 GLU HA A 40 GLU HBy 1.0 1.8 4.0 300 265 A 60 ARG HBy A 60 ARG HGy 1.0 1.8 2.8 301 266 A 64 GLN HA A 64 GLN HGy 1.0 1.8 4.0 302 267 A 40 GLU HA A 40 GLU HBy 1.0 1.8 2.8 303 267 A 40 GLU HA A 40 GLU HBx 1.0 1.8 2.8 304 268 A 71 LEU HBy A 71 LEU HA 1.0 2.1 2.8 305 269 A 31 ALA HA A 34 PHE HD% 1.0 1.8 3.5 306 270 A 103 GLN HA A 103 GLN HBy 1.0 1.8 2.8 307 271 A 93 VAL HA A 93 VAL HB 1.0 1.8 2.8 308 272 A 22 LEU HA A 22 LEU HG 1.0 1.8 5.0 309 273 A 71 LEU HA A 71 LEU HG 1.0 2.5 3.5 310 274 A 7 HIS HA A 7 HIS HBx 1.0 1.8 2.8 311 274 A 7 HIS HA A 7 HIS HBy 1.0 1.8 2.8 312 275 A 86 GLN HBx A 86 GLN HA 1.0 1.8 3.5 313 276 A 39 GLU HBy A 39 GLU HA 1.0 1.8 4.0 314 277 A 37 HIS HBy A 37 HIS HBx 1.0 1.8 3.5 315 278 A 79 LEU H A 79 LEU HBy 1.0 1.8 3.5 316 278 A 79 LEU H A 79 LEU HBx 1.0 1.8 3.5 317 279 A 91 HIS HBx A 91 HIS HD2 1.0 1.8 4.0 318 280 A 79 LEU HA A 82 ILE HB 1.0 1.8 5.0 319 281 A 79 LEU HA A 79 LEU HDx% 1.0 1.8 3.5 320 282 A 101 ALA HB% A 101 ALA H 1.0 1.8 4.0 321 283 A 87 SER HA A 87 SER HB2 1.0 1.8 2.8 322 283 A 87 SER HB3 A 87 SER HA 1.0 1.8 2.8 323 284 A 60 ARG HA A 60 ARG HGy 1.0 1.8 2.8 324 285 A 14 ILE HA A 14 ILE HG1y 1.0 1.8 4.0 325 285 A 14 ILE HG1x A 14 ILE HA 1.0 1.8 4.0 326 286 A 24 LYS HA A 24 LYS HDy 1.0 1.8 4.0 327 287 A 58 VAL HB A 58 VAL HGy% 1.0 1.8 3.5 328 288 A 56 LYS HA A 56 LYS HD2 1.0 1.8 4.0 329 288 A 56 LYS HA A 56 LYS HD3 1.0 1.8 4.0 330 289 A 58 VAL HA A 58 VAL HGy% 1.0 1.8 4.0 331 290 A 79 LEU HA A 79 LEU HBy 1.0 1.8 4.0 332 291 A 57 LEU HA A 57 LEU HG 1.0 1.8 3.5 333 292 A 20 GLU HA A 20 GLU HGx 1.0 1.8 4.0 334 293 A 73 ALA HB% A 70 ASP HA 1.0 1.8 5.0 335 294 A 79 LEU HG A 79 LEU HBy 1.0 1.8 4.0 336 294 A 79 LEU HG A 79 LEU HBx 1.0 1.8 4.0 337 295 A 79 LEU HA A 79 LEU HBy 1.0 1.8 5.0 338 295 A 79 LEU HA A 79 LEU HBx 1.0 1.8 5.0 339 296 A 85 GLY HAx A 85 GLY HAy 1.0 1.8 4.0 340 297 A 21 PHE HBy A 21 PHE H 1.0 1.8 2.8 341 298 A 73 ALA HA A 76 MET HBy 1.0 1.8 4.0 342 299 A 70 ASP HA A 70 ASP HBx 1.0 1.8 2.8 343 300 A 14 ILE HG2% A 14 ILE HG1y 1.0 1.8 5.0 344 300 A 14 ILE HG1x A 14 ILE HG2% 1.0 1.8 5.0 345 301 A 18 LEU HDx% A 15 LEU HA 1.0 1.8 5.0 346 302 A 57 LEU HG A 57 LEU HDx% 1.0 1.8 4.0 347 303 A 76 MET HA A 76 MET HG2 1.0 1.8 3.5 348 303 A 76 MET HA A 76 MET HG3 1.0 1.8 3.5 349 304 A 82 ILE HA A 85 GLY HAy 1.0 1.8 4.0 350 305 A 72 ARG HA A 72 ARG HB2 1.0 1.8 2.8 351 305 A 72 ARG HA A 72 ARG HB3 1.0 1.8 2.8 352 306 A 14 ILE HD1% A 14 ILE HB 1.0 1.8 6.0 353 307 A 79 LEU HDy% A 76 MET HA 1.0 1.8 6.0 354 308 A 21 PHE HBx A 21 PHE H 1.0 1.8 2.8 355 309 A 69 GLY HAy A 69 GLY HAx 1.0 1.8 2.5 356 310 A 64 GLN HBx A 64 GLN HGy 1.0 1.8 2.5 357 310 A 64 GLN HBx A 64 GLN HGx 1.0 1.8 2.5 358 311 A 80 ASP HBy A 80 ASP HA 1.0 1.8 3.5 359 312 A 59 LYS HA A 59 LYS HGx 1.0 1.8 4.0 360 313 A 55 LYS HA A 55 LYS HB3 1.0 1.8 4.0 361 313 A 55 LYS HB2 A 55 LYS HA 1.0 1.8 4.0 362 314 A 49 GLY H A 49 GLY HAy 1.0 1.8 3.5 363 315 A 67 VAL HA A 67 VAL HGy% 1.0 1.8 4.0 364 316 A 39 GLU HA A 39 GLU HBx 1.0 1.8 2.8 365 317 A 82 ILE HD1% A 82 ILE HB 1.0 1.8 5.0 366 318 A 74 LYS HA A 74 LYS HDy 1.0 1.8 4.0 367 319 A 74 LYS HBx A 71 LEU HA 1.0 1.8 4.0 368 320 A 22 LEU HA A 22 LEU HDx% 1.0 1.8 5.0 369 321 A 19 TYR HBx A 19 TYR HA 1.0 1.8 3.5 370 322 A 15 LEU HG A 15 LEU HA 1.0 1.8 3.5 371 323 A 64 GLN HA A 64 GLN HGy 1.0 1.8 2.8 372 323 A 64 GLN HA A 64 GLN HGx 1.0 1.8 2.8 373 324 A 75 VAL HB A 75 VAL HGx% 1.0 1.8 4.0 374 325 A 33 LYS HA A 33 LYS HBy 1.0 1.8 4.0 375 326 A 74 LYS H A 74 LYS HA 1.0 2.1 2.8 376 327 A 84 SER HBx A 84 SER HBy 1.0 1.8 2.5 377 328 A 23 ASP HBx A 23 ASP HA 1.0 1.8 3.5 378 329 A 32 VAL HA A 32 VAL HGx% 1.0 1.8 3.5 379 330 A 73 ALA HA A 73 ALA H 1.0 1.8 2.8 380 331 A 86 GLN HBy A 86 GLN HA 1.0 1.8 2.8 381 332 A 28 ASP HA A 28 ASP HBy 1.0 1.8 4.0 382 332 A 28 ASP HA A 28 ASP HBx 1.0 1.8 4.0 383 333 A 105 SER HA A 105 SER HB2 1.0 1.8 2.5 384 333 A 105 SER HA A 105 SER HB3 1.0 1.8 2.5 385 334 A 74 LYS HBy A 74 LYS HA 1.0 1.8 2.8 386 335 A 76 MET HA A 76 MET HBx 1.0 1.8 2.8 387 336 A 15 LEU HDx% A 15 LEU HBx 1.0 1.8 5.0 388 337 A 80 ASP HBy A 80 ASP HBx 1.0 1.8 2.5 389 338 A 58 VAL HA A 58 VAL HB 1.0 1.8 2.8 390 339 A 64 GLN HBx A 64 GLN HA 1.0 1.8 2.8 391 340 A 81 LEU HBx A 81 LEU HBy 1.0 1.8 4.0 392 341 A 11 CYS HBy A 11 CYS HA 1.0 1.8 3.5 393 342 A 59 LYS HA A 59 LYS HBy 1.0 1.8 4.0 394 342 A 59 LYS HA A 59 LYS HBx 1.0 1.8 4.0 395 343 A 31 ALA HA A 31 ALA HB% 1.0 1.8 3.5 396 344 A 22 LEU HBy A 19 TYR HA 1.0 1.8 4.0 397 345 A 104 GLU HA A 104 GLU HBx 1.0 1.8 2.5 398 346 A 56 LYS HBx A 53 ALA HA 1.0 1.8 5.0 399 347 A 22 LEU HA A 22 LEU H 1.0 1.8 4.0 400 348 A 91 HIS HBy A 91 HIS HD2 1.0 1.8 4.0 401 349 A 14 ILE HA A 14 ILE HB 1.0 1.8 3.5 402 350 A 14 ILE HD1% A 14 ILE HA 1.0 1.8 3.5 403 351 A 59 LYS HA A 59 LYS HBx 1.0 1.8 2.8 404 352 A 90 GLU HA A 90 GLU HGx 1.0 1.8 3.5 405 353 A 55 LYS HA A 58 VAL HGy% 1.0 1.8 6.0 406 353 A 55 LYS HA A 58 VAL HGx% 1.0 1.8 6.0 407 354 A 24 LYS HA A 24 LYS HGx 1.0 1.8 4.0 408 354 A 24 LYS HA A 24 LYS HGy 1.0 1.8 4.0 409 355 A 44 CYS H A 44 CYS HBy 1.0 1.8 3.5 410 356 A 23 ASP H A 22 LEU HDx% 1.0 1.8 5.0 411 357 A 73 ALA H A 72 ARG HB2 1.0 1.8 2.5 412 357 A 73 ALA H A 72 ARG HB3 1.0 1.8 2.5 413 358 A 61 ALA H A 60 ARG HGy 1.0 1.8 3.5 414 358 A 61 ALA H A 60 ARG HGx 1.0 1.8 3.5 415 359 A 10 ASP H A 10 ASP HBx 1.0 1.8 3.5 416 360 A 19 TYR H A 19 TYR HD% 1.0 3.3 5.0 417 361 A 79 LEU H A 81 LEU H 1.0 1.8 5.0 418 362 A 52 GLN H A 51 GLU HBy 1.0 1.8 3.5 419 363 A 28 ASP H A 29 SER H 1.0 1.8 2.8 420 364 A 59 LYS H A 58 VAL HB 1.0 1.8 2.8 421 365 A 15 LEU HDy% A 16 ASP H 1.0 1.8 5.0 422 366 A 60 ARG HBx A 61 ALA H 1.0 1.8 3.5 423 367 A 57 LEU HBx A 57 LEU H 1.0 1.8 2.5 424 368 A 75 VAL H A 75 VAL HA 1.0 1.8 2.8 425 369 A 16 ASP HA A 17 HIS H 1.0 1.8 3.5 426 370 A 37 HIS H A 37 HIS HBy 1.0 1.8 3.5 427 371 A 39 GLU H A 38 PHE HBx 1.0 1.8 3.5 428 372 A 72 ARG H A 71 LEU HDx% 1.0 1.8 3.5 429 373 A 83 ARG H A 83 ARG HBy 1.0 1.8 2.5 430 373 A 83 ARG H A 83 ARG HBx 1.0 1.8 2.5 431 374 A 90 GLU H A 90 GLU HBy 1.0 2.8 3.5 432 375 A 58 VAL H A 57 LEU HDx% 1.0 1.8 3.5 433 376 A 60 ARG H A 57 LEU HDy% 1.0 3.3 5.0 434 377 A 33 LYS HA A 33 LYS H 1.0 1.8 2.8 435 378 A 39 GLU H A 39 GLU HBx 1.0 1.8 2.5 436 379 A 23 ASP H A 23 ASP HBy 1.0 1.8 3.5 437 380 A 80 ASP HA A 81 LEU H 1.0 1.8 3.5 438 381 A 15 LEU HG A 15 LEU H 1.0 1.8 5.0 439 382 A 39 GLU H A 39 GLU HGy 1.0 1.8 2.8 440 383 A 56 LYS H A 56 LYS HD2 1.0 1.8 3.5 441 383 A 56 LYS H A 56 LYS HD3 1.0 1.8 3.5 442 384 A 74 LYS H A 71 LEU HDy% 1.0 1.8 3.5 443 385 A 85 GLY H A 84 SER H 1.0 1.8 3.5 444 386 A 29 SER H A 28 ASP HBy 1.0 1.8 3.5 445 386 A 28 ASP HBx A 29 SER H 1.0 1.8 3.5 446 387 A 81 LEU H A 80 ASP HBx 1.0 1.8 4.0 447 388 A 31 ALA H A 30 ASP HBy 1.0 1.8 3.5 448 389 A 21 PHE H A 20 GLU HBx 1.0 1.8 3.5 449 390 A 24 LYS H A 25 GLU H 1.0 1.8 2.8 450 391 A 11 CYS H A 8 GLU HA 1.0 3.3 5.0 451 392 A 64 GLN H A 64 GLN HGy 1.0 1.8 3.5 452 392 A 64 GLN HGx A 64 GLN H 1.0 1.8 3.5 453 393 A 12 SER H A 11 CYS HBy 1.0 1.8 3.5 454 394 A 94 ALA H A 93 VAL H 1.0 1.8 3.5 455 395 A 78 ARG H A 77 GLY H 1.0 1.8 3.5 456 396 A 25 GLU H A 24 LYS HGx 1.0 1.8 3.5 457 396 A 24 LYS HGy A 25 GLU H 1.0 1.8 3.5 458 397 A 65 ASP H A 65 ASP HBx 1.0 1.8 2.8 459 398 A 15 LEU HDx% A 15 LEU H 1.0 1.8 5.0 460 399 A 13 GLU H A 14 ILE H 1.0 2.1 2.8 461 400 A 76 MET H A 76 MET HBx 1.0 2.5 3.5 462 401 A 79 LEU H A 80 ASP HBx 1.0 1.8 5.0 463 402 A 60 ARG H A 60 ARG HGy 1.0 1.8 2.5 464 402 A 60 ARG H A 60 ARG HGx 1.0 1.8 2.5 465 403 A 37 HIS H A 37 HIS HBx 1.0 1.8 3.5 466 404 A 25 GLU HA A 26 MET H 1.0 1.8 3.5 467 405 A 32 VAL HA A 35 GLU H 1.0 1.8 3.5 468 406 A 37 HIS HA A 38 PHE H 1.0 1.8 3.5 469 407 A 57 LEU H A 56 LYS HBy 1.0 1.8 2.8 470 408 A 14 ILE HA A 14 ILE H 1.0 1.8 2.8 471 409 A 24 LYS H A 23 ASP HA 1.0 1.8 3.5 472 410 A 23 ASP H A 23 ASP HA 1.0 1.8 3.5 473 411 A 13 GLU HA A 16 ASP H 1.0 1.8 3.5 474 412 A 21 PHE H A 20 GLU HBy 1.0 1.8 2.8 475 413 A 13 GLU HA A 14 ILE H 1.0 1.8 3.5 476 414 A 20 GLU H A 17 HIS HA 1.0 1.8 3.5 477 415 A 12 SER H A 11 CYS HA 1.0 2.5 3.5 478 416 A 13 GLU HBy A 14 ILE H 1.0 1.8 3.5 479 417 A 15 LEU HBx A 16 ASP H 1.0 1.8 2.8 480 418 A 58 VAL H A 57 LEU HG 1.0 1.8 3.5 481 419 A 11 CYS H A 10 ASP HBx 1.0 1.8 3.5 482 420 A 24 LYS HBy A 25 GLU H 1.0 3.3 5.0 483 421 A 13 GLU HBx A 14 ILE H 1.0 1.8 3.5 484 422 A 17 HIS H A 16 ASP HBy 1.0 1.8 2.8 485 422 A 17 HIS H A 16 ASP HBx 1.0 1.8 2.8 486 423 A 76 MET H A 75 VAL HGx% 1.0 1.8 3.5 487 424 A 42 SER H A 41 SER HBy 1.0 1.8 2.8 488 424 A 42 SER H A 41 SER HBx 1.0 1.8 2.8 489 425 A 16 ASP H A 14 ILE H 1.0 1.8 4.0 490 426 A 74 LYS H A 74 LYS HDy 1.0 1.8 2.5 491 426 A 74 LYS H A 74 LYS HDx 1.0 1.8 2.5 492 427 A 42 SER H A 42 SER HB2 1.0 1.8 3.5 493 427 A 42 SER H A 42 SER HB3 1.0 1.8 3.5 494 428 A 28 ASP H A 28 ASP HBy 1.0 1.8 2.5 495 428 A 28 ASP H A 28 ASP HBx 1.0 1.8 2.5 496 429 A 22 LEU HDy% A 23 ASP H 1.0 1.8 5.0 497 430 A 19 TYR HD% A 80 ASP H 1.0 3.3 5.0 498 431 A 35 GLU H A 35 GLU HGy 1.0 1.8 3.5 499 432 A 83 ARG H A 83 ARG HGy 1.0 1.8 2.5 500 433 A 79 LEU H A 78 ARG H 1.0 1.8 2.8 501 434 A 22 LEU H A 21 PHE HBy 1.0 1.8 3.5 502 435 A 33 LYS HA A 34 PHE H 1.0 1.8 3.5 503 436 A 79 LEU H A 80 ASP HBy 1.0 1.8 5.0 504 437 A 5 GLU H A 5 GLU HG2 1.0 1.8 3.5 505 437 A 5 GLU H A 5 GLU HG3 1.0 1.8 3.5 506 438 A 57 LEU H A 57 LEU HBy 1.0 2.5 3.5 507 439 A 44 CYS H A 44 CYS HBx 1.0 1.8 3.5 508 440 A 20 GLU H A 20 GLU HBy 1.0 1.8 2.5 509 440 A 20 GLU H A 20 GLU HBx 1.0 1.8 2.5 510 441 A 90 GLU HBx A 90 GLU H 1.0 1.8 2.5 511 442 A 39 GLU H A 38 PHE HA 1.0 1.8 3.5 512 443 A 20 GLU H A 20 GLU HGx 1.0 1.8 2.8 513 443 A 20 GLU HGy A 20 GLU H 1.0 1.8 2.8 514 444 A 12 SER H A 11 CYS H 1.0 1.8 3.5 515 445 A 56 LYS H A 57 LEU H 1.0 1.8 3.5 516 446 A 18 LEU HDy% A 21 PHE H 1.0 1.8 5.0 517 447 A 28 ASP HA A 29 SER H 1.0 1.8 3.5 518 448 A 76 MET H A 75 VAL HGy% 1.0 1.8 3.5 519 449 A 21 PHE HA A 21 PHE H 1.0 1.8 2.8 520 450 A 40 GLU H A 40 GLU HBy 1.0 1.8 2.8 521 450 A 40 GLU H A 40 GLU HBx 1.0 1.8 2.8 522 451 A 82 ILE H A 81 LEU HA 1.0 2.5 3.5 523 452 A 69 GLY H A 69 GLY HAx 1.0 1.8 3.5 524 453 A 25 GLU HA A 25 GLU H 1.0 1.8 2.8 525 454 A 15 LEU H A 16 ASP H 1.0 1.8 2.8 526 455 A 64 GLN HBx A 64 GLN H 1.0 1.8 3.5 527 456 A 7 HIS H A 6 PRO HA 1.0 1.8 3.5 528 457 A 40 GLU H A 40 GLU HGy 1.0 1.8 2.8 529 458 A 15 LEU HA A 16 ASP H 1.0 1.8 3.5 530 459 A 59 LYS H A 59 LYS HGy 1.0 1.8 2.8 531 459 A 59 LYS H A 59 LYS HGx 1.0 1.8 2.8 532 460 A 40 GLU H A 40 GLU HA 1.0 1.8 3.5 533 461 A 29 SER H A 30 ASP H 1.0 1.8 3.5 534 462 A 35 GLU H A 35 GLU HBy 1.0 1.8 2.8 535 462 A 35 GLU H A 35 GLU HBx 1.0 1.8 2.8 536 463 A 73 ALA H A 70 ASP HA 1.0 1.8 3.5 537 464 A 15 LEU HG A 16 ASP H 1.0 1.8 3.5 538 465 A 12 SER H A 11 CYS HBx 1.0 1.8 3.5 539 466 A 57 LEU HBx A 58 VAL H 1.0 2.5 3.5 540 467 A 90 GLU HGy A 90 GLU H 1.0 1.8 2.8 541 468 A 71 LEU HBx A 71 LEU H 1.0 1.8 2.8 542 469 A 82 ILE H A 82 ILE HA 1.0 1.8 2.8 543 470 A 74 LYS H A 73 ALA HB% 1.0 1.8 2.8 544 471 A 25 GLU H A 25 GLU HBx 1.0 1.8 2.8 545 471 A 25 GLU HBy A 25 GLU H 1.0 1.8 2.8 546 472 A 19 TYR H A 16 ASP HA 1.0 1.8 3.5 547 473 A 88 VAL H A 87 SER H 1.0 1.8 2.5 548 474 A 20 GLU HA A 23 ASP H 1.0 1.8 3.5 549 475 A 14 ILE HB A 14 ILE H 1.0 1.8 2.5 550 476 A 38 PHE HBy A 38 PHE H 1.0 1.8 2.8 551 477 A 79 LEU H A 77 GLY H 1.0 1.8 5.0 552 478 A 61 ALA H A 60 ARG HBy 1.0 1.8 3.5 553 479 A 59 LYS H A 59 LYS HBy 1.0 1.8 2.5 554 479 A 59 LYS H A 59 LYS HBx 1.0 1.8 2.5 555 480 A 34 PHE HD% A 34 PHE H 1.0 1.8 5.0 556 481 A 28 ASP H A 27 PRO HBy 1.0 1.8 3.5 557 482 A 33 LYS H A 33 LYS HBy 1.0 1.8 2.8 558 482 A 33 LYS HBx A 33 LYS H 1.0 1.8 2.8 559 483 A 15 LEU HDy% A 15 LEU H 1.0 1.8 5.0 560 484 A 76 MET H A 76 MET HBy 1.0 1.8 2.5 561 485 A 40 GLU H A 39 GLU HA 1.0 1.8 3.5 562 486 A 60 ARG H A 60 ARG HBy 1.0 1.8 2.5 563 487 A 19 TYR HE% A 80 ASP H 1.0 1.8 5.0 564 488 A 53 ALA H A 54 VAL H 1.0 1.8 3.5 565 489 A 76 MET HA A 76 MET H 1.0 1.8 2.8 566 490 A 52 GLN HBy A 53 ALA H 1.0 1.8 2.8 567 491 A 19 TYR HBx A 20 GLU H 1.0 1.8 2.8 568 492 A 22 LEU HA A 23 ASP H 1.0 1.8 3.5 569 493 A 75 VAL H A 74 LYS HBy 1.0 1.8 3.5 570 494 A 14 ILE HG2% A 15 LEU H 1.0 1.8 3.5 571 495 A 71 LEU HBy A 71 LEU H 1.0 1.8 2.8 572 496 A 20 GLU H A 19 TYR HA 1.0 1.8 3.5 573 497 A 21 PHE H A 21 PHE HD% 1.0 1.8 5.0 574 498 A 58 VAL H A 59 LYS H 1.0 1.8 2.8 575 499 A 74 LYS H A 75 VAL H 1.0 1.8 3.5 576 500 A 64 GLN HBy A 64 GLN H 1.0 1.8 2.8 577 501 A 37 HIS H A 38 PHE H 1.0 1.8 2.8 578 502 A 28 ASP HA A 31 ALA H 1.0 1.8 3.5 579 503 A 75 VAL H A 75 VAL HB 1.0 1.8 2.5 580 504 A 18 LEU H A 17 HIS HBx 1.0 1.8 3.5 581 505 A 83 ARG H A 84 SER H 1.0 1.8 4.0 582 506 A 33 LYS H A 34 PHE H 1.0 1.8 2.8 583 507 A 22 LEU H A 21 PHE HBx 1.0 1.8 3.5 584 508 A 39 GLU H A 38 PHE H 1.0 1.8 2.5 585 509 A 38 PHE HA A 38 PHE H 1.0 1.8 3.5 586 510 A 54 VAL HB A 55 LYS H 1.0 1.8 4.0 587 511 A 53 ALA H A 53 ALA HA 1.0 1.8 3.5 588 512 A 86 GLN H A 86 GLN HGy 1.0 1.8 4.0 589 513 A 65 ASP H A 65 ASP HA 1.0 1.8 3.5 590 514 A 53 ALA HB% A 54 VAL H 1.0 1.8 4.0 591 515 A 54 VAL HGy% A 54 VAL H 1.0 1.8 4.0 592 516 A 63 GLY HAy A 64 GLN H 1.0 1.8 4.0 593 517 A 24 LYS H A 24 LYS HBy 1.0 1.8 2.8 594 518 A 18 LEU HA A 18 LEU H 1.0 1.8 3.5 595 519 A 86 GLN H A 86 GLN HGx 1.0 1.8 4.0 596 520 A 72 ARG H A 73 ALA H 1.0 1.8 2.8 597 521 A 94 ALA HB% A 94 ALA H 1.0 1.8 4.0 598 522 A 52 GLN H A 52 GLN HGx 1.0 2.8 5.0 599 523 A 13 GLU H A 12 SER HBy 1.0 1.8 5.0 600 524 A 12 SER HA A 13 GLU H 1.0 1.8 5.0 601 525 A 64 GLN HE21 A 64 GLN HGy 1.0 2.5 3.5 602 525 A 64 GLN HGx A 64 GLN HE21 1.0 2.5 3.5 603 526 A 65 ASP H A 64 GLN HA 1.0 1.8 3.5 604 527 A 19 TYR H A 18 LEU H 1.0 1.8 4.0 605 528 A 78 ARG HA A 78 ARG H 1.0 1.8 4.0 606 529 A 86 GLN HBx A 86 GLN H 1.0 1.8 3.5 607 530 A 14 ILE HG2% A 14 ILE H 1.0 1.8 4.0 608 531 A 58 VAL H A 58 VAL HB 1.0 1.8 2.8 609 532 A 78 ARG H A 77 GLY HAy 1.0 1.8 4.0 610 533 A 78 ARG H A 78 ARG HB2 1.0 1.8 2.8 611 533 A 78 ARG H A 78 ARG HB3 1.0 1.8 2.8 612 534 A 32 VAL H A 32 VAL HGy% 1.0 1.8 3.5 613 535 A 52 GLN HGy A 52 GLN HE22 1.0 1.8 4.0 614 536 A 84 SER H A 84 SER HBy 1.0 1.8 4.0 615 537 A 24 LYS H A 24 LYS HGx 1.0 1.8 4.0 616 538 A 31 ALA H A 32 VAL H 1.0 1.8 4.0 617 539 A 86 GLN HGy A 86 GLN HE22 1.0 1.8 4.0 618 540 A 93 VAL H A 93 VAL HGy% 1.0 1.8 4.0 619 540 A 93 VAL H A 93 VAL HGx% 1.0 1.8 4.0 620 541 A 12 SER H A 12 SER HBy 1.0 1.8 4.0 621 541 A 12 SER H A 12 SER HBx 1.0 1.8 4.0 622 542 A 64 GLN HE22 A 64 GLN HGy 1.0 1.8 4.0 623 542 A 64 GLN HGx A 64 GLN HE22 1.0 1.8 4.0 624 543 A 75 VAL H A 72 ARG HA 1.0 1.8 4.0 625 544 A 85 GLY HAx A 86 GLN H 1.0 1.8 4.0 626 545 A 29 SER H A 29 SER HBy 1.0 1.8 3.5 627 546 A 60 ARG H A 61 ALA H 1.0 1.8 4.0 628 547 A 56 LYS HA A 57 LEU H 1.0 1.8 3.5 629 548 A 93 VAL HA A 94 ALA H 1.0 1.8 2.8 630 549 A 67 VAL H A 67 VAL HB 1.0 1.8 2.8 631 550 A 22 LEU H A 22 LEU HDx% 1.0 1.8 5.0 632 551 A 98 SER H A 98 SER HA 1.0 1.8 4.0 633 552 A 53 ALA HA A 54 VAL H 1.0 1.8 5.0 634 553 A 86 GLN HBy A 86 GLN H 1.0 1.8 2.8 635 554 A 52 GLN HGy A 52 GLN H 1.0 2.8 5.0 636 555 A 67 VAL H A 66 ASP HA 1.0 1.8 2.5 637 556 A 88 VAL HB A 88 VAL H 1.0 1.8 2.8 638 557 A 60 ARG H A 60 ARG HA 1.0 1.8 2.8 639 558 A 55 LYS H A 54 VAL H 1.0 1.8 4.0 640 559 A 86 GLN HGy A 86 GLN HE21 1.0 1.8 4.0 641 560 A 81 LEU H A 81 LEU HDx% 1.0 1.8 5.0 642 561 A 13 GLU H A 13 GLU HA 1.0 1.8 5.0 643 562 A 64 GLN HA A 64 GLN H 1.0 1.8 3.5 644 563 A 94 ALA H A 95 ALA H 1.0 1.8 4.0 645 564 A 52 GLN H A 51 GLU HA 1.0 1.8 5.0 646 565 A 87 SER H A 87 SER HB2 1.0 1.8 2.8 647 565 A 87 SER H A 87 SER HB3 1.0 1.8 2.8 648 566 A 94 ALA HA A 94 ALA H 1.0 1.8 4.0 649 567 A 61 ALA H A 61 ALA HA 1.0 1.8 4.0 650 568 A 81 LEU H A 81 LEU HBx 1.0 2.5 3.5 651 569 A 80 ASP HBy A 81 LEU H 1.0 1.8 3.5 652 570 A 88 VAL H A 88 VAL HGx% 1.0 1.8 3.5 653 570 A 88 VAL H A 88 VAL HGy% 1.0 1.8 3.5 654 571 A 63 GLY H A 62 ALA HA 1.0 1.8 4.0 655 572 A 63 GLY H A 62 ALA HB% 1.0 1.8 5.0 656 573 A 52 GLN HA A 52 GLN H 1.0 1.8 4.0 657 574 A 84 SER H A 84 SER HBx 1.0 1.8 4.0 658 575 A 52 GLN HBy A 52 GLN H 1.0 1.8 2.8 659 576 A 81 LEU HDy% A 81 LEU H 1.0 1.8 5.0 660 577 A 93 VAL HB A 93 VAL H 1.0 1.8 2.8 661 578 A 58 VAL H A 58 VAL HGy% 1.0 1.8 4.0 662 578 A 58 VAL H A 58 VAL HGx% 1.0 1.8 4.0 663 579 A 85 GLY H A 85 GLY HAy 1.0 1.8 2.8 664 580 A 78 ARG H A 77 GLY HAx 1.0 1.8 4.0 665 581 A 54 VAL HGx% A 54 VAL H 1.0 1.8 5.0 666 582 A 86 GLN HGx A 86 GLN HE21 1.0 1.8 4.0 667 583 A 24 LYS H A 23 ASP H 1.0 1.8 4.0 668 584 A 94 ALA H A 93 VAL HGy% 1.0 1.8 4.0 669 585 A 20 GLU H A 21 PHE H 1.0 1.8 4.0 670 586 A 85 GLY HAy A 86 GLN H 1.0 1.8 4.0 671 587 A 81 LEU H A 81 LEU HBy 1.0 1.8 2.8 672 588 A 32 VAL HB A 32 VAL H 1.0 1.8 4.0 673 589 A 83 ARG H A 82 ILE H 1.0 1.8 2.5 674 590 A 87 SER H A 87 SER HA 1.0 1.8 2.8 675 591 A 57 LEU H A 57 LEU HDx% 1.0 1.8 4.0 676 592 A 30 ASP H A 30 ASP HBy 1.0 1.8 3.5 677 592 A 30 ASP HBx A 30 ASP H 1.0 1.8 3.5 678 593 A 24 LYS HA A 24 LYS H 1.0 1.8 3.5 679 594 A 93 VAL H A 92 ASP HA 1.0 1.8 2.5 680 595 A 24 LYS H A 23 ASP HBx 1.0 1.8 4.0 681 596 A 52 GLN HGx A 52 GLN HE22 1.0 1.8 4.0 682 597 A 65 ASP H A 66 ASP H 1.0 1.8 4.0 683 598 A 19 TYR H A 20 GLU H 1.0 1.8 4.0 684 599 A 24 LYS H A 23 ASP HBy 1.0 1.8 4.0 685 600 A 16 ASP H A 17 HIS H 1.0 1.8 4.0 686 601 A 90 GLU H A 97 PRO HA 1.0 1.8 2.5 687 602 A 84 SER H A 84 SER HA 1.0 1.8 3.5 688 603 A 29 SER HA A 29 SER H 1.0 1.8 3.5 689 604 A 56 LYS H A 55 LYS H 1.0 1.8 3.5 690 605 A 41 SER H A 41 SER HBy 1.0 1.8 4.0 691 605 A 41 SER H A 41 SER HBx 1.0 1.8 4.0 692 606 A 4 GLY H A 3 ALA H 1.0 1.8 3.5 693 607 A 54 VAL HA A 54 VAL H 1.0 1.8 3.5 694 608 A 63 GLY H A 63 GLY HAx 1.0 1.8 4.0 695 609 A 22 LEU H A 23 ASP H 1.0 1.8 4.0 696 610 A 63 GLY HAx A 64 GLN H 1.0 1.8 4.0 697 611 A 86 GLN HGx A 86 GLN HE22 1.0 1.8 5.0 698 612 A 75 VAL HA A 78 ARG H 1.0 1.8 4.0 699 613 A 13 GLU H A 13 GLU HGx 1.0 1.8 4.0 700 613 A 13 GLU H A 13 GLU HGy 1.0 1.8 4.0 701 614 A 70 ASP HA A 71 LEU H 1.0 1.8 4.0 702 615 A 55 LYS H A 55 LYS HA 1.0 1.8 3.5 703 616 A 56 LYS H A 56 LYS HA 1.0 1.8 2.8 704 617 A 12 SER H A 13 GLU H 1.0 1.8 3.5 705 618 A 81 LEU H A 81 LEU HG 1.0 1.8 2.8 706 619 A 61 ALA H A 61 ALA HB% 1.0 1.8 3.5 707 620 A 13 GLU H A 12 SER HBx 1.0 1.8 5.0 708 621 A 13 GLU H A 13 GLU HBy 1.0 1.8 4.0 709 622 A 67 VAL H A 67 VAL HGy% 1.0 1.8 2.8 710 623 A 39 GLU H A 40 GLU H 1.0 1.8 3.5 711 624 A 72 ARG H A 71 LEU H 1.0 1.8 3.5 712 625 A 96 ALA H A 96 ALA HB% 1.0 1.8 2.8 713 626 A 31 ALA HB% A 21 PHE HZ 1.0 1.8 5.0 714 627 A 19 TYR HD% A 79 LEU HDy% 1.0 1.8 5.0 715 628 A 20 GLU H A 20 GLU HBy 1.0 1.8 5.0 716 629 A 35 GLU HGx A 35 GLU H 1.0 1.8 3.5 717 630 A 59 LYS HA A 59 LYS H 1.0 1.8 2.8 718 631 A 56 LYS H A 55 LYS HB3 1.0 1.8 2.8 719 631 A 56 LYS H A 55 LYS HB2 1.0 1.8 2.8 720 632 A 52 GLN HA A 52 GLN HGy 1.0 1.8 3.5 721 633 A 23 ASP H A 23 ASP HBx 1.0 1.8 2.8 722 634 A 48 TYR HE% A 88 VAL HGx% 1.0 1.8 5.0 723 634 A 48 TYR HE% A 88 VAL HGy% 1.0 1.8 5.0 724 635 A 14 ILE HD1% A 14 ILE H 1.0 1.8 5.0 725 636 A 76 MET HBx A 76 MET HE% 1.0 1.8 5.0 726 637 A 24 LYS HA A 25 GLU H 1.0 1.8 3.5 727 638 A 54 VAL HA A 57 LEU H 1.0 1.8 3.5 728 639 A 20 GLU HA A 19 TYR HE% 1.0 1.8 5.0 729 640 A 12 SER H A 12 SER HBx 1.0 1.8 3.5 730 641 A 34 PHE HD% A 34 PHE HBy 1.0 1.8 3.5 731 642 A 33 LYS H A 32 VAL HGy% 1.0 1.8 5.0 732 643 A 9 THR HB A 10 ASP H 1.0 1.8 5.0 733 644 A 15 LEU HDy% A 15 LEU HDx% 1.0 1.8 5.0 734 645 A 31 ALA HA A 21 PHE HE% 1.0 1.8 5.0 735 646 A 15 LEU HBx A 15 LEU HBy 1.0 1.8 2.8 736 647 A 87 SER H A 86 GLN HGx 1.0 1.8 5.0 737 648 A 14 ILE HD1% A 17 HIS HBx 1.0 1.8 5.0 738 649 A 22 LEU HDy% A 21 PHE HD% 1.0 1.8 5.0 739 650 A 15 LEU HDy% A 48 TYR HD% 1.0 1.8 5.0 740 651 A 18 LEU HA A 34 PHE HE% 1.0 1.8 5.0 741 652 A 54 VAL HB A 54 VAL H 1.0 1.8 3.5 742 653 A 82 ILE HD1% A 15 LEU HDx% 1.0 1.8 5.0 743 654 A 19 TYR HBy A 20 GLU H 1.0 1.8 3.5 744 655 A 85 GLY H A 84 SER HA 1.0 1.8 3.5 745 656 A 71 LEU HBy A 71 LEU HDx% 1.0 2.3 4.0 746 657 A 18 LEU HBx A 54 VAL HGy% 1.0 1.8 5.0 747 658 A 23 ASP HBx A 76 MET HE% 1.0 1.8 5.0 748 659 A 42 SER H A 41 SER HA 1.0 1.8 3.5 749 660 A 58 VAL H A 55 LYS HA 1.0 1.8 5.0 750 661 A 70 ASP HBx A 71 LEU H 1.0 1.8 5.0 751 662 A 44 CYS H A 44 CYS HA 1.0 1.8 2.8 752 663 A 36 HIS H A 36 HIS HBx 1.0 1.8 5.0 753 664 A 80 ASP HBx A 77 GLY HAy 1.0 1.8 3.5 754 665 A 69 GLY H A 68 PRO HA 1.0 1.8 3.5 755 666 A 59 LYS H A 58 VAL HGy% 1.0 1.8 3.5 756 667 A 41 SER HA A 41 SER HBy 1.0 1.8 2.5 757 667 A 41 SER HA A 41 SER HBx 1.0 1.8 2.5 758 668 A 32 VAL HGx% A 32 VAL H 1.0 1.8 4.0 759 669 A 76 MET HE% A 76 MET HG2 1.0 1.8 5.0 760 669 A 76 MET HG3 A 76 MET HE% 1.0 1.8 5.0 761 670 A 15 LEU HDy% A 15 LEU HBx 1.0 1.8 5.0 762 671 A 3 ALA H A 2 SER HA 1.0 1.8 5.0 763 672 A 68 PRO HDy A 67 VAL HGx% 1.0 1.8 3.5 764 673 A 101 ALA HA A 102 PRO HDy 1.0 1.8 3.5 765 674 A 71 LEU HG A 71 LEU HDy% 1.0 1.8 2.8 766 675 A 71 LEU HBx A 71 LEU HDy% 1.0 1.8 3.5 767 676 A 48 TYR HD% A 48 TYR HBy 1.0 1.8 3.5 768 677 A 18 LEU HA A 21 PHE HD% 1.0 1.8 5.0 769 678 A 81 LEU HDy% A 78 ARG HDy 1.0 1.8 5.0 770 679 A 20 GLU H A 20 GLU HBx 1.0 1.8 5.0 771 680 A 19 TYR HBy A 79 LEU HDy% 1.0 1.8 5.0 772 681 A 101 ALA HA A 102 PRO HDx 1.0 1.8 3.5 773 682 A 18 LEU HA A 21 PHE HE% 1.0 1.8 6.0 774 683 A 19 TYR HBy A 16 ASP HA 1.0 1.8 3.5 775 684 A 75 VAL HGy% A 75 VAL HGx% 1.0 1.8 3.5 776 685 A 71 LEU HG A 71 LEU H 1.0 1.8 5.0 777 686 A 21 PHE HE% A 34 PHE HE% 1.0 1.8 5.0 778 687 A 10 ASP HBy A 10 ASP HBx 1.0 1.8 2.5 779 688 A 65 ASP HBy A 65 ASP HBx 1.0 1.8 2.5 780 689 A 34 PHE H A 34 PHE HBx 1.0 1.8 3.5 781 690 A 54 VAL HGy% A 50 LEU HD1% 1.0 1.8 5.0 782 690 A 54 VAL HGy% A 50 LEU HD2% 1.0 1.8 5.0 783 691 A 54 VAL HA A 55 LYS H 1.0 1.8 3.5 784 692 A 31 ALA HA A 34 PHE HE% 1.0 1.8 5.0 785 693 A 37 HIS HBy A 37 HIS HD2 1.0 1.8 5.0 786 694 A 10 ASP H A 10 ASP HBy 1.0 1.8 3.5 787 695 A 21 PHE HD% A 30 ASP HBy 1.0 1.8 5.0 788 696 A 43 PRO HA A 42 SER HB2 1.0 1.8 3.5 789 696 A 43 PRO HA A 42 SER HB3 1.0 1.8 3.5 790 697 A 12 SER HA A 12 SER HBx 1.0 1.8 2.5 791 698 A 15 LEU HDx% A 15 LEU HBy 1.0 1.8 5.0 792 699 A 15 LEU HA A 18 LEU H 1.0 1.8 5.0 793 700 A 21 PHE HBx A 34 PHE HE% 1.0 1.8 5.0 794 701 A 18 LEU HG A 18 LEU H 1.0 1.8 5.0 795 702 A 15 LEU HDy% A 18 LEU H 1.0 1.8 6.0 796 703 A 53 ALA H A 52 GLN HGx 1.0 1.8 5.0 797 704 A 23 ASP HBy A 76 MET HE% 1.0 1.8 5.0 798 705 A 71 LEU HDx% A 71 LEU HG 1.0 1.8 3.5 799 706 A 102 PRO HDy A 102 PRO HDx 1.0 1.8 2.5 800 707 A 38 PHE HZ A 38 PHE HE% 1.0 1.8 2.8 801 708 A 54 VAL HB A 54 VAL HGy% 1.0 1.8 3.5 802 709 A 52 GLN HGy A 53 ALA H 1.0 1.8 3.5 803 710 A 32 VAL HA A 32 VAL HGy% 1.0 1.8 3.5 804 711 A 19 TYR HE% A 76 MET HE% 1.0 1.8 5.0 805 712 A 19 TYR HBy A 19 TYR HBx 1.0 1.8 2.8 806 713 A 16 ASP H A 15 LEU HBy 1.0 1.8 5.0 807 714 A 34 PHE HBy A 34 PHE HE% 1.0 1.8 5.0 808 715 A 81 LEU HDx% A 78 ARG HDy 1.0 1.8 5.0 809 716 A 81 LEU H A 80 ASP H 1.0 1.8 2.8 810 717 A 17 HIS HBy A 34 PHE HE% 1.0 1.8 5.0 811 718 A 78 ARG HA A 81 LEU H 1.0 1.8 3.5 812 719 A 20 GLU HA A 23 ASP HBy 1.0 1.8 3.5 813 720 A 38 PHE HD% A 38 PHE HBx 1.0 1.8 3.5 814 721 A 57 LEU HG A 57 LEU H 1.0 1.8 2.8 815 722 A 104 GLU HA A 105 SER H 1.0 1.8 3.5 816 723 A 15 LEU HA A 18 LEU HDy% 1.0 1.8 5.0 817 724 A 48 TYR HD% A 50 LEU HD1% 1.0 1.8 5.0 818 724 A 48 TYR HD% A 50 LEU HD2% 1.0 1.8 5.0 819 725 A 18 LEU H A 16 ASP HBy 1.0 1.8 5.0 820 725 A 18 LEU H A 16 ASP HBx 1.0 1.8 5.0 821 726 A 37 HIS HBx A 37 HIS HD2 1.0 1.8 5.0 822 727 A 19 TYR HA A 22 LEU HDx% 1.0 3.3 5.0 823 728 A 24 LYS H A 24 LYS HGy 1.0 1.8 5.0 824 729 A 44 CYS H A 11 CYS HBx 1.0 1.8 5.0 825 730 A 35 GLU H A 34 PHE HBx 1.0 1.8 5.0 826 731 A 62 ALA HB% A 62 ALA H 1.0 1.8 3.5 827 732 A 29 SER H A 29 SER HBx 1.0 1.8 3.5 828 733 A 15 LEU HDx% A 16 ASP H 1.0 1.8 6.0 829 734 A 48 TYR HE% A 48 TYR HD% 1.0 1.8 2.8 830 735 A 31 ALA HB% A 21 PHE HE% 1.0 1.8 5.0 831 736 A 96 ALA HA A 96 ALA HB% 1.0 1.8 3.5 832 737 A 22 LEU HDx% A 21 PHE HD% 1.0 1.8 5.0 833 738 A 19 TYR HD% A 76 MET HBx 1.0 1.8 5.0 834 739 A 58 VAL HB A 58 VAL HGx% 1.0 1.8 3.5 835 740 A 71 LEU HBy A 71 LEU HDy% 1.0 1.8 2.8 836 741 A 81 LEU HDy% A 81 LEU HA 1.0 3.3 5.0 837 742 A 15 LEU H A 14 ILE H 1.0 1.8 2.8 838 743 A 34 PHE HA A 34 PHE H 1.0 1.8 3.5 839 744 A 17 HIS HBx A 17 HIS HA 1.0 1.8 3.5 840 745 A 82 ILE HD1% A 48 TYR HE% 1.0 1.8 5.0 841 746 A 14 ILE HD1% A 34 PHE HD% 1.0 1.8 5.0 842 747 A 97 PRO HDy A 97 PRO HDx 1.0 1.8 2.5 843 748 A 38 PHE HD% A 38 PHE HE% 1.0 1.8 3.5 844 749 A 71 LEU H A 70 ASP HBy 1.0 1.8 5.0 845 750 A 78 ARG HA A 81 LEU HBy 1.0 1.8 3.5 846 751 A 14 ILE HA A 17 HIS HD1 1.0 1.8 3.5 847 752 A 65 ASP H A 62 ALA HA 1.0 1.8 3.5 848 753 A 77 GLY H A 77 GLY HAy 1.0 1.8 2.8 849 754 A 80 ASP HBy A 80 ASP H 1.0 1.8 2.8 850 755 A 18 LEU HDy% A 18 LEU H 1.0 1.8 5.0 851 756 A 57 LEU HA A 57 LEU H 1.0 1.8 3.5 852 757 A 19 TYR H A 19 TYR HA 1.0 1.8 2.8 853 758 A 32 VAL HGx% A 33 LYS H 1.0 1.8 5.0 854 759 A 22 LEU H A 18 LEU HDy% 1.0 1.8 5.0 855 760 A 96 ALA H A 95 ALA HA 1.0 1.8 3.5 856 761 A 28 ASP H A 27 PRO HBx 1.0 1.8 3.5 857 762 A 49 GLY H A 49 GLY HAx 1.0 1.8 3.5 858 763 A 59 LYS H A 59 LYS HGy 1.0 1.8 3.5 859 764 A 18 LEU HDx% A 18 LEU HDy% 1.0 1.8 3.5 860 765 A 21 PHE HE% A 29 SER HBx 1.0 1.8 5.0 861 766 A 92 ASP HBy A 92 ASP HA 1.0 1.8 2.8 862 767 A 35 GLU H A 34 PHE H 1.0 1.8 4.0 863 768 A 58 VAL H A 58 VAL HGx% 1.0 1.8 3.5 864 769 A 34 PHE HD% A 34 PHE HBx 1.0 1.8 3.5 865 770 A 76 MET H A 22 LEU HDx% 1.0 1.8 5.0 866 771 A 19 TYR HD% A 79 LEU HDx% 1.0 1.8 5.0 867 772 A 22 LEU H A 22 LEU HG 1.0 1.8 3.5 868 773 A 48 TYR HE% A 48 TYR HBx 1.0 1.8 5.0 869 774 A 20 GLU HA A 23 ASP HBx 1.0 1.8 2.8 870 775 A 54 VAL HGx% A 55 LYS H 1.0 1.8 5.0 871 776 A 19 TYR HD% A 79 LEU HG 1.0 1.8 3.5 872 777 A 34 PHE H A 34 PHE HBy 1.0 1.8 3.5 873 778 A 105 SER HA A 105 SER H 1.0 1.8 3.5 874 779 A 33 LYS HA A 32 VAL HGy% 1.0 1.8 3.5 875 780 A 19 TYR H A 18 LEU HDx% 1.0 1.8 5.0 876 781 A 37 HIS HBx A 38 PHE H 1.0 1.8 5.0 877 782 A 101 ALA HA A 101 ALA H 1.0 1.8 3.5 878 783 A 22 LEU HDy% A 76 MET HG2 1.0 1.8 3.5 879 783 A 22 LEU HDy% A 76 MET HG3 1.0 1.8 3.5 880 784 A 31 ALA HB% A 21 PHE HD% 1.0 1.8 6.0 881 785 A 96 ALA HA A 97 PRO HDx 1.0 1.8 2.8 882 786 A 72 ARG HA A 72 ARG H 1.0 1.8 2.8 883 787 A 18 LEU HA A 22 LEU HDy% 1.0 1.8 5.0 884 788 A 55 LYS HA A 55 LYS HDy 1.0 1.8 5.0 885 788 A 55 LYS HA A 55 LYS HDx 1.0 1.8 5.0 886 789 A 54 VAL HB A 54 VAL HGx% 1.0 1.8 3.5 887 790 A 70 ASP HA A 70 ASP HBy 1.0 1.8 3.5 888 791 A 38 PHE HBx A 38 PHE H 1.0 1.8 3.5 889 792 A 48 TYR HBy A 48 TYR HBx 1.0 1.8 3.5 890 793 A 79 LEU HDy% A 79 LEU HBx 1.0 1.8 3.5 891 794 A 19 TYR HD% A 19 TYR HE% 1.0 1.8 2.8 892 795 A 67 VAL HA A 67 VAL HGy% 1.0 1.8 2.8 893 795 A 67 VAL HA A 67 VAL HGx% 1.0 1.8 2.8 894 796 A 22 LEU HDy% A 76 MET HA 1.0 1.8 3.5 895 797 A 54 VAL HGy% A 55 LYS H 1.0 1.8 5.0 896 798 A 11 CYS H A 11 CYS HBx 1.0 1.8 3.5 897 799 A 5 GLU HA A 6 PRO HDy 1.0 1.8 2.8 898 800 A 35 GLU HA A 35 GLU H 1.0 1.8 3.5 899 801 A 60 ARG H A 59 LYS HA 1.0 1.8 3.5 900 802 A 16 ASP HA A 19 TYR HBx 1.0 1.8 3.5 901 803 A 74 LYS HA A 77 GLY H 1.0 1.8 3.5 902 804 A 21 PHE HBy A 34 PHE HE% 1.0 1.8 5.0 903 805 A 55 LYS HA A 38 PHE HE% 1.0 1.8 5.0 904 806 A 82 ILE HA A 85 GLY H 1.0 1.8 5.0 905 807 A 22 LEU HDx% A 21 PHE HE% 1.0 1.8 5.0 906 808 A 33 LYS HA A 36 HIS H 1.0 1.8 3.5 907 809 A 34 PHE HA A 34 PHE HBy 1.0 1.8 3.5 908 810 A 10 ASP HBy A 11 CYS H 1.0 1.8 3.5 909 811 A 59 LYS H A 58 VAL HGx% 1.0 1.8 5.0 910 812 A 83 ARG H A 82 ILE HA 1.0 1.8 5.0 911 813 A 57 LEU HA A 57 LEU HDy% 1.0 1.8 3.5 912 814 A 15 LEU H A 15 LEU HBy 1.0 1.8 2.5 913 815 A 34 PHE HA A 34 PHE HBx 1.0 1.8 3.5 914 816 A 32 VAL HB A 32 VAL HGx% 1.0 1.8 3.5 915 817 A 19 TYR HD% A 20 GLU HA 1.0 1.8 3.5 916 818 A 14 ILE H A 14 ILE HG1y 1.0 1.8 5.0 917 819 A 71 LEU HBx A 71 LEU HDx% 1.0 1.8 3.5 918 820 A 55 LYS HA A 55 LYS HB3 1.0 1.8 3.5 919 821 A 34 PHE HA A 34 PHE HD% 1.0 1.8 3.5 920 822 A 31 ALA HA A 21 PHE HZ 1.0 1.8 3.5 921 823 A 76 MET H A 77 GLY H 1.0 1.8 3.5 922 824 A 22 LEU HDy% A 22 LEU H 1.0 1.8 5.0 923 825 A 15 LEU HA A 15 LEU HBy 1.0 1.8 3.5 924 826 A 21 PHE HBy A 21 PHE HE% 1.0 1.8 5.0 925 827 A 16 ASP H A 16 ASP HBy 1.0 1.8 2.8 926 827 A 16 ASP H A 16 ASP HBx 1.0 1.8 2.8 927 828 A 19 TYR HD% A 19 TYR HBx 1.0 1.8 3.5 928 829 A 17 HIS HBy A 17 HIS HA 1.0 1.8 2.8 929 830 A 17 HIS HBy A 34 PHE HZ 1.0 1.8 5.0 930 831 A 41 SER H A 41 SER HBx 1.0 1.8 3.5 931 832 A 17 HIS HD1 A 16 ASP HBy 1.0 1.8 3.5 932 832 A 16 ASP HBx A 17 HIS HD1 1.0 1.8 3.5 933 833 A 18 LEU HBx A 18 LEU HDy% 1.0 1.8 5.0 934 834 A 17 HIS HBy A 17 HIS H 1.0 1.8 3.5 935 835 A 18 LEU H A 34 PHE HE% 1.0 1.8 5.0 936 836 A 79 LEU HG A 79 LEU HBx 1.0 1.8 3.5 937 837 A 82 ILE HD1% A 79 LEU HA 1.0 1.8 3.5 938 838 A 42 SER HA A 42 SER HB2 1.0 1.8 2.5 939 838 A 42 SER HA A 42 SER HB3 1.0 1.8 2.5 940 839 A 19 TYR HD% A 18 LEU HDy% 1.0 1.8 6.0 941 840 A 18 LEU HDy% A 21 PHE HD% 1.0 1.8 5.0 942 841 A 86 GLN HA A 86 GLN HGx 1.0 1.8 3.5 943 842 A 18 LEU HDy% A 34 PHE HE% 1.0 1.8 5.0 944 843 A 44 CYS HBx A 44 CYS HBy 1.0 1.8 2.8 945 844 A 38 PHE HZ A 38 PHE HD% 1.0 1.8 3.5 946 845 A 77 GLY H A 77 GLY HAx 1.0 1.8 3.5 947 846 A 71 LEU HDx% A 71 LEU H 1.0 1.8 5.0 948 847 A 11 CYS HA A 14 ILE H 1.0 1.8 3.5 949 848 A 18 LEU HDy% A 21 PHE HBx 1.0 1.8 5.0 950 849 A 65 ASP HBx A 65 ASP HA 1.0 1.8 2.8 951 850 A 5 GLU H A 4 GLY HAy 1.0 1.8 3.5 952 850 A 4 GLY HAx A 5 GLU H 1.0 1.8 3.5 953 851 A 28 ASP H A 27 PRO HA 1.0 1.8 2.5 954 852 A 20 GLU HA A 20 GLU H 1.0 1.8 2.8 955 853 A 52 GLN HE22 A 52 GLN HE21 1.0 1.8 2.5 956 854 A 33 LYS HBx A 30 ASP HA 1.0 1.8 5.0 957 855 A 15 LEU HDy% A 11 CYS HA 1.0 1.8 5.0 958 856 A 37 HIS HD2 A 37 HIS HE1 1.0 1.8 5.0 959 857 A 54 VAL HGy% A 54 VAL HGx% 1.0 1.8 3.5 960 858 A 24 LYS H A 24 LYS HDy 1.0 1.8 4.0 961 859 A 18 LEU HDx% A 34 PHE HE% 1.0 1.8 6.0 962 860 A 60 ARG H A 58 VAL HGy% 1.0 1.8 5.0 963 860 A 60 ARG H A 58 VAL HGx% 1.0 1.8 5.0 964 861 A 79 LEU HDy% A 78 ARG HGx 1.0 2.3 4.0 965 862 A 19 TYR H A 79 LEU HDy% 1.0 1.8 5.0 966 863 A 75 VAL HGy% A 75 VAL HB 1.0 1.8 3.5 967 864 A 44 CYS HA A 44 CYS HBy 1.0 1.8 2.8 968 865 A 57 LEU H A 57 LEU HDy% 1.0 1.8 4.0 969 866 A 21 PHE HD% A 21 PHE HE% 1.0 1.8 3.5 970 867 A 82 ILE HD1% A 48 TYR HD% 1.0 1.8 5.0 971 868 A 32 VAL HA A 33 LYS H 1.0 1.8 3.5 972 869 A 18 LEU HDx% A 18 LEU H 1.0 1.8 5.0 973 870 A 62 ALA HA A 62 ALA H 1.0 1.8 3.5 974 871 A 28 ASP HA A 28 ASP HBx 1.0 1.8 2.8 975 872 A 54 VAL HA A 58 VAL H 1.0 1.8 5.0 976 873 A 78 ARG HA A 79 LEU H 1.0 1.8 5.0 977 874 A 38 PHE HA A 38 PHE HBy 1.0 1.8 3.5 978 875 A 75 VAL HA A 77 GLY H 1.0 1.8 5.0 979 876 A 21 PHE HA A 21 PHE HE% 1.0 1.8 5.0 980 877 A 17 HIS HBy A 18 LEU H 1.0 1.8 3.5 981 878 A 17 HIS HD2 A 34 PHE HE% 1.0 1.8 3.5 982 879 A 34 PHE HD% A 34 PHE HE% 1.0 1.8 3.5 983 880 A 32 VAL HA A 32 VAL H 1.0 1.8 3.5 984 881 A 21 PHE HBy A 21 PHE HD% 1.0 1.8 3.5 985 882 A 93 VAL HA A 93 VAL H 1.0 1.8 3.5 986 883 A 67 VAL HA A 67 VAL HB 1.0 1.8 5.0 987 884 A 22 LEU HDy% A 19 TYR HA 1.0 1.8 3.5 988 885 A 15 LEU HA A 15 LEU HDx% 1.0 1.8 5.0 989 886 A 66 ASP HA A 66 ASP HBy 1.0 1.8 2.5 990 886 A 66 ASP HBx A 66 ASP HA 1.0 1.8 2.5 991 887 A 19 TYR HE% A 19 TYR HBx 1.0 1.8 5.0 992 888 A 79 LEU HDx% A 78 ARG HGy 1.0 1.8 3.5 993 889 A 9 THR HA A 10 ASP H 1.0 1.8 3.5 994 890 A 11 CYS HBy A 44 CYS HBx 1.0 1.8 5.0 995 891 A 35 GLU H A 35 GLU HBy 1.0 1.8 5.0 996 892 A 34 PHE HA A 35 GLU H 1.0 1.8 5.0 997 893 A 34 PHE HE% A 34 PHE HBx 1.0 1.8 5.0 998 894 A 19 TYR HD% A 19 TYR HA 1.0 1.8 3.5 999 895 A 74 LYS H A 73 ALA H 1.0 1.8 2.5 1000 896 A 32 VAL HB A 32 VAL HGy% 1.0 1.8 3.5 1001 897 A 16 ASP HA A 16 ASP HBy 1.0 1.8 2.5 1002 897 A 16 ASP HA A 16 ASP HBx 1.0 1.8 2.5 1003 898 A 54 VAL HGx% A 38 PHE HE% 1.0 1.8 5.0 1004 899 A 23 ASP HA A 76 MET HE% 1.0 1.8 5.0 1005 900 A 81 LEU H A 81 LEU HA 1.0 1.8 3.5 1006 901 A 15 LEU HDy% A 15 LEU HBy 1.0 1.8 5.0 1007 902 A 81 LEU HA A 81 LEU HDx% 1.0 1.8 3.5 1008 903 A 48 TYR HBx A 50 LEU HD1% 1.0 1.8 5.0 1009 903 A 50 LEU HD2% A 48 TYR HBx 1.0 1.8 5.0 1010 904 A 80 ASP HBy A 77 GLY HAy 1.0 1.8 3.5 1011 905 A 4 GLY HAx A 3 ALA HB% 1.0 1.8 5.0 1012 906 A 18 LEU HBy A 18 LEU H 1.0 1.8 4.0 1013 907 A 38 PHE HBy A 38 PHE HBx 1.0 1.8 2.8 1014 908 A 19 TYR H A 19 TYR HBy 1.0 1.8 2.5 1015 909 A 52 GLN HA A 55 LYS HB2 1.0 1.8 3.5 1016 910 A 18 LEU HBx A 50 LEU HD1% 1.0 1.8 5.0 1017 910 A 18 LEU HBx A 50 LEU HD2% 1.0 1.8 5.0 1018 911 A 17 HIS HBx A 17 HIS H 1.0 1.8 3.5 1019 912 A 15 LEU HG A 15 LEU HDx% 1.0 1.8 5.0 1020 913 A 14 ILE HD1% A 34 PHE HE% 1.0 1.8 5.0 1021 914 A 30 ASP HBx A 21 PHE HD% 1.0 1.8 3.5 1022 915 A 15 LEU HA A 15 LEU HBx 1.0 1.8 3.5 1023 916 A 75 VAL HA A 71 LEU HDx% 1.0 1.8 3.5 1024 917 A 21 PHE HE% A 30 ASP HBy 1.0 1.8 5.0 1025 918 A 14 ILE HD1% A 37 HIS HBx 1.0 1.8 5.0 1026 919 A 79 LEU HDy% A 19 TYR HE% 1.0 1.8 5.0 1027 920 A 86 GLN HA A 86 GLN H 1.0 1.8 2.8 1028 921 A 31 ALA H A 31 ALA HB% 1.0 1.8 3.5 1029 922 A 21 PHE HBx A 21 PHE HD% 1.0 1.8 5.0 1030 923 A 73 ALA HB% A 73 ALA H 1.0 2.1 2.8 1031 924 A 48 TYR HD% A 88 VAL HGx% 1.0 1.8 5.0 1032 924 A 88 VAL HGy% A 48 TYR HD% 1.0 1.8 5.0 1033 925 A 48 TYR HE% A 15 LEU HDx% 1.0 1.8 5.0 1034 926 A 65 ASP H A 65 ASP HBy 1.0 1.8 3.5 1035 927 A 65 ASP HBy A 65 ASP HA 1.0 1.8 2.8 1036 928 A 17 HIS HBx A 34 PHE HE% 1.0 1.8 5.0 1037 929 A 10 ASP HA A 10 ASP HBx 1.0 1.8 3.5 1038 930 A 49 GLY H A 48 TYR HA 1.0 1.8 3.5 1039 931 A 34 PHE HE% A 14 ILE HG1y 1.0 1.8 5.0 1040 932 A 19 TYR HBy A 19 TYR HA 1.0 1.8 3.5 1041 933 A 17 HIS H A 17 HIS HA 1.0 1.8 3.5 1042 934 A 34 PHE HD% A 14 ILE HG1y 1.0 1.8 5.0 1043 935 A 58 VAL HA A 61 ALA HB% 1.0 1.8 3.5 1044 936 A 50 LEU HBy A 50 LEU HD1% 1.0 1.8 3.5 1045 936 A 50 LEU HD2% A 50 LEU HBy 1.0 1.8 3.5 1046 937 A 48 TYR HBy A 50 LEU HD1% 1.0 1.8 5.0 1047 937 A 48 TYR HBy A 50 LEU HD2% 1.0 1.8 5.0 1048 938 A 14 ILE HA A 34 PHE HE% 1.0 1.8 5.0 1049 939 A 61 ALA HA A 61 ALA HB% 1.0 1.8 2.8 1050 940 A 21 PHE HA A 21 PHE HD% 1.0 1.8 3.5 1051 941 A 17 HIS HD2 A 17 HIS HA 1.0 1.8 5.0 1052 942 A 19 TYR HD% A 76 MET HE% 1.0 1.8 5.0 1053 943 A 55 LYS HDy A 55 LYS HE2 1.0 1.8 3.5 1054 943 A 55 LYS HE3 A 55 LYS HDy 1.0 1.8 3.5 1055 943 A 55 LYS HDx A 55 LYS HE3 1.0 1.8 3.5 1056 943 A 55 LYS HDx A 55 LYS HE2 1.0 1.8 3.5 1057 944 A 66 ASP H A 66 ASP HBy 1.0 1.8 3.5 1058 945 A 30 ASP HBx A 21 PHE HE% 1.0 1.8 5.0 1059 946 A 17 HIS H A 16 ASP HBx 1.0 1.8 3.5 1060 947 A 71 LEU HA A 71 LEU H 1.0 1.8 3.5 1061 948 A 59 LYS H A 59 LYS HGx 1.0 1.8 3.5 1062 949 A 55 LYS HA A 58 VAL HGx% 1.0 1.8 5.0 1063 950 A 76 MET HA A 79 LEU HBy 1.0 1.8 3.5 1064 951 A 21 PHE HZ A 29 SER HBx 1.0 1.8 5.0 1065 952 A 68 PRO HDx A 67 VAL HGx% 1.0 1.8 3.5 1066 953 A 21 PHE HBy A 21 PHE HBx 1.0 1.8 3.5 1067 954 A 57 LEU HA A 57 LEU HDx% 1.0 3.3 5.0 1068 955 A 41 SER H A 41 SER HA 1.0 1.8 3.5 1069 956 A 36 HIS H A 36 HIS HBy 1.0 1.8 5.0 1070 957 A 30 ASP HA A 33 LYS HBy 1.0 1.8 5.0 1071 958 A 56 LYS H A 56 LYS HG2 1.0 1.8 2.8 1072 958 A 56 LYS H A 56 LYS HG3 1.0 1.8 2.8 1073 959 A 93 VAL HB A 93 VAL HGx% 1.0 1.8 2.8 1074 960 A 80 ASP HA A 80 ASP H 1.0 1.8 2.5 1075 961 A 43 PRO HA A 42 SER HA 1.0 1.8 3.5 1076 962 A 31 ALA HB% A 34 PHE HD% 1.0 1.8 5.0 1077 963 A 79 LEU HDx% A 79 LEU HBx 1.0 1.8 5.0 1078 964 A 11 CYS HBy A 11 CYS HBx 1.0 1.8 2.8 1079 965 A 80 ASP HBy A 77 GLY HAx 1.0 1.8 3.5 1080 966 A 80 ASP HBx A 80 ASP H 1.0 1.8 2.8 1081 967 A 18 LEU HBy A 18 LEU HDy% 1.0 1.8 3.5 1082 968 A 35 GLU HA A 38 PHE HE% 1.0 1.8 5.0 1083 969 A 48 TYR HD% A 48 TYR HBx 1.0 1.8 5.0 1084 970 A 83 ARG H A 82 ILE HD1% 1.0 1.8 5.0 1085 971 A 21 PHE HD% A 34 PHE HE% 1.0 1.8 5.0 1086 972 A 23 ASP H A 76 MET HE% 1.0 1.8 5.0 1087 973 A 15 LEU HDx% A 48 TYR HD% 1.0 1.8 6.0 1088 974 A 80 ASP HBx A 77 GLY HAx 1.0 1.8 3.5 1089 975 A 75 VAL HA A 75 VAL HGx% 1.0 1.8 2.8 1090 976 A 18 LEU H A 17 HIS H 1.0 1.8 4.0 1091 977 A 54 VAL HGx% A 38 PHE HD% 1.0 1.8 5.0 1092 978 A 54 VAL HA A 54 VAL HGx% 1.0 1.8 3.5 1093 979 A 22 LEU H A 21 PHE HD% 1.0 1.8 5.0 1094 980 A 14 ILE HD1% A 37 HIS H 1.0 1.8 5.0 1095 981 A 21 PHE HBy A 18 LEU HDy% 1.0 1.8 5.0 1096 982 A 35 GLU HA A 38 PHE HD% 1.0 1.8 3.5 1097 983 A 52 GLN HA A 52 GLN HGx 1.0 1.8 3.5 1098 984 A 23 ASP HA A 23 ASP HBy 1.0 1.8 3.5 1099 985 A 55 LYS HA A 58 VAL HGy% 1.0 1.8 5.0 1100 986 A 10 ASP H A 9 THR HG2% 1.0 1.8 5.0 1101 987 A 34 PHE HZ A 17 HIS HBx 1.0 1.8 5.0 1102 988 A 15 LEU HG A 15 LEU HBx 1.0 1.8 3.5 1103 989 A 39 GLU H A 39 GLU HGx 1.0 1.8 5.0 1104 990 A 19 TYR HE% A 79 LEU HA 1.0 1.8 5.0 1105 991 A 34 PHE HZ A 21 PHE HBy 1.0 1.8 3.5 1106 992 A 38 PHE HZ A 54 VAL HGx% 1.0 1.8 3.5 1107 993 A 19 TYR HE% A 52 GLN HGx 1.0 1.8 5.0 1108 994 A 40 GLU H A 39 GLU HBx 1.0 1.8 3.5 1109 995 A 34 PHE HZ A 18 LEU HDy% 1.0 1.8 5.0 1110 996 A 18 LEU HA A 34 PHE HZ 1.0 1.8 3.5 1111 997 A 34 PHE HZ A 21 PHE HBx 1.0 1.8 3.5 1112 998 A 19 TYR HE% A 80 ASP HBx 1.0 1.8 5.0 1113 999 A 19 TYR HD% A 52 GLN HGx 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 57 LEU HA A 57 LEU HG 1.0 1.8 2.8 2 1 A 18 LEU HA A 57 LEU HG 1.0 1.8 2.8 3 1 A 18 LEU HA A 18 LEU HBy 1.0 1.8 2.8 4 1 A 18 LEU HBy A 57 LEU HA 1.0 1.8 2.8 5 2 A 75 VAL H A 75 VAL HGx% 1.0 1.8 3.5 6 2 A 75 VAL H A 71 LEU HDx% 1.0 1.8 3.5 7 3 A 56 LYS H A 55 LYS HDy 1.0 1.8 5.0 8 3 A 56 LYS H A 55 LYS HG3 1.0 1.8 5.0 9 3 A 56 LYS H A 55 LYS HG2 1.0 1.8 5.0 10 3 A 56 LYS H A 55 LYS HDx 1.0 1.8 5.0 11 4 A 66 ASP H A 65 ASP HA 1.0 1.8 2.5 12 4 A 66 ASP H A 66 ASP HA 1.0 1.8 2.5 13 5 A 11 CYS H A 11 CYS HBy 1.0 1.8 2.8 14 5 A 10 ASP HBy A 11 CYS H 1.0 1.8 2.8 15 6 A 15 LEU HDy% A 15 LEU H 1.0 1.8 5.0 16 6 A 14 ILE HD1% A 15 LEU H 1.0 1.8 5.0 17 7 A 34 PHE HZ A 58 VAL HGx% 1.0 1.8 3.5 18 7 A 38 PHE HZ A 58 VAL HGx% 1.0 1.8 3.5 19 8 A 34 PHE HZ A 55 LYS HA 1.0 1.8 3.5 20 8 A 38 PHE HZ A 55 LYS HA 1.0 1.8 3.5 21 9 A 61 ALA HA A 62 ALA H 1.0 1.8 2.8 22 9 A 62 ALA HA A 62 ALA H 1.0 1.8 2.8 23 10 A 56 LYS H A 57 LEU HDx% 1.0 1.8 5.0 24 10 A 56 LYS H A 54 VAL HGx% 1.0 1.8 5.0 25 11 A 15 LEU HA A 15 LEU H 1.0 1.8 2.8 26 11 A 14 ILE HA A 15 LEU H 1.0 1.8 2.8 27 12 A 14 ILE HA A 35 GLU H 1.0 1.8 3.5 28 12 A 14 ILE HA A 16 ASP H 1.0 1.8 3.5 29 12 A 32 VAL HA A 16 ASP H 1.0 1.8 3.5 30 12 A 32 VAL HA A 35 GLU H 1.0 1.8 3.5 31 13 A 61 ALA HB% A 62 ALA H 1.0 1.8 4.0 32 13 A 62 ALA HB% A 62 ALA H 1.0 1.8 4.0 33 14 A 58 VAL H A 58 VAL HGy% 1.0 1.8 3.5 34 14 A 58 VAL H A 57 LEU HDy% 1.0 1.8 3.5 35 15 A 92 ASP H A 92 ASP HA 1.0 1.8 3.5 36 15 A 92 ASP H A 91 HIS HA 1.0 1.8 3.5 37 16 A 54 VAL HA A 18 LEU HDy% 1.0 1.8 5.0 38 16 A 21 PHE HBy A 18 LEU HDy% 1.0 1.8 5.0 39 17 A 20 GLU HA A 21 PHE H 1.0 1.8 3.5 40 17 A 18 LEU HA A 21 PHE H 1.0 1.8 3.5 41 18 A 55 LYS H A 55 LYS HG3 1.0 1.8 3.5 42 18 A 55 LYS H A 55 LYS HDy 1.0 1.8 3.5 43 18 A 55 LYS H A 55 LYS HDx 1.0 1.8 3.5 44 18 A 55 LYS H A 55 LYS HG2 1.0 1.8 3.5 45 19 A 41 SER H A 40 GLU HA 1.0 1.8 2.8 46 19 A 41 SER H A 41 SER HA 1.0 1.8 2.8 47 20 A 28 ASP HA A 21 PHE HE% 1.0 1.8 5.0 48 20 A 28 ASP HA A 21 PHE HZ 1.0 1.8 5.0 49 21 A 15 LEU HA A 18 LEU H 1.0 1.8 5.0 50 21 A 18 LEU H A 14 ILE HA 1.0 1.8 5.0 51 22 A 79 LEU H A 76 MET HA 1.0 1.8 5.0 52 22 A 76 MET HA A 76 MET H 1.0 1.8 5.0 53 23 A 93 VAL H A 67 VAL HGx% 1.0 1.8 3.5 54 23 A 67 VAL H A 93 VAL HGy% 1.0 1.8 3.5 55 23 A 67 VAL H A 67 VAL HGx% 1.0 1.8 3.5 56 23 A 93 VAL H A 93 VAL HGx% 1.0 1.8 3.5 57 23 A 67 VAL H A 67 VAL HGy% 1.0 1.8 3.5 58 23 A 93 VAL H A 67 VAL HGy% 1.0 1.8 3.5 59 23 A 93 VAL H A 93 VAL HGy% 1.0 1.8 3.5 60 23 A 67 VAL H A 93 VAL HGx% 1.0 1.8 3.5 61 24 A 103 GLN H A 103 GLN HBy 1.0 1.8 3.5 62 24 A 103 GLN H A 90 GLU HBy 1.0 1.8 3.5 63 24 A 90 GLU H A 90 GLU HBy 1.0 1.8 3.5 64 24 A 90 GLU H A 103 GLN HBy 1.0 1.8 3.5 65 25 A 28 ASP H A 27 PRO HA 1.0 1.8 2.5 66 25 A 28 ASP H A 28 ASP HA 1.0 1.8 2.5 67 26 A 73 ALA HA A 73 ALA H 1.0 1.8 2.5 68 26 A 73 ALA H A 74 LYS HA 1.0 1.8 2.5 69 27 A 34 PHE HZ A 18 LEU HDy% 1.0 1.8 5.0 70 27 A 18 LEU HDy% A 38 PHE HZ 1.0 1.8 5.0 71 28 A 44 CYS HBx A 44 CYS HBy 1.0 1.8 4.0 72 28 A 11 CYS HBx A 44 CYS HBx 1.0 1.8 4.0 73 29 A 21 PHE HBx A 21 PHE HE% 1.0 1.8 5.0 74 29 A 21 PHE HBx A 21 PHE HZ 1.0 1.8 5.0 75 30 A 67 VAL H A 67 VAL HB 1.0 1.8 2.8 76 30 A 93 VAL HB A 93 VAL H 1.0 1.8 2.8 77 30 A 93 VAL H A 67 VAL HB 1.0 1.8 2.8 78 30 A 67 VAL H A 93 VAL HB 1.0 1.8 2.8 79 31 A 32 VAL HA A 35 GLU HBy 1.0 1.8 2.8 80 31 A 32 VAL HA A 32 VAL HB 1.0 1.8 2.8 81 32 A 75 VAL H A 74 LYS HA 1.0 1.8 3.5 82 32 A 75 VAL H A 73 ALA HA 1.0 1.8 3.5 83 33 A 67 VAL H A 67 VAL HGy% 1.0 1.8 3.5 84 33 A 67 VAL H A 93 VAL HGy% 1.0 1.8 3.5 85 33 A 93 VAL H A 93 VAL HGy% 1.0 1.8 3.5 86 33 A 93 VAL H A 67 VAL HGy% 1.0 1.8 3.5 87 34 A 55 LYS HA A 55 LYS HDy 1.0 1.8 6.0 88 34 A 55 LYS HA A 55 LYS HG3 1.0 1.8 6.0 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 4 GLY C A 5 GLU N A 5 GLU CA A 5 GLU C 1.0 -160.05 -45.57 PHI 2 2 A 5 GLU N A 5 GLU CA A 5 GLU C A 6 PRO N 1.0 64.85 179.41 PSI 3 3 A 9 THR C A 10 ASP N A 10 ASP CA A 10 ASP C 1.0 -147.33 -27.05 PHI 4 4 A 10 ASP N A 10 ASP CA A 10 ASP C A 11 CYS N 1.0 92.28 186.28 PSI 5 5 A 10 ASP C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 -84.24 -34.24 PHI 6 6 A 11 CYS N A 11 CYS CA A 11 CYS C A 12 SER N 1.0 -62.16 -12.04 PSI 7 7 A 11 CYS C A 12 SER N A 12 SER CA A 12 SER C 1.0 -92.04 -42.04 PHI 8 8 A 12 SER N A 12 SER CA A 12 SER C A 13 GLU N 1.0 -59.85 -7.93 PSI 9 9 A 13 GLU C A 14 ILE N A 14 ILE CA A 14 ILE C 1.0 -84.67 -34.67 PHI 10 10 A 14 ILE N A 14 ILE CA A 14 ILE C A 15 LEU N 1.0 -61.53 -11.53 PSI 11 11 A 14 ILE C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -84.87 -34.87 PHI 12 12 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 ASP N 1.0 -68.25 -18.25 PSI 13 13 A 15 LEU C A 16 ASP N A 16 ASP CA A 16 ASP C 1.0 -91.83 -41.83 PHI 14 14 A 16 ASP N A 16 ASP CA A 16 ASP C A 17 HIS N 1.0 -63.00 -13.00 PSI 15 15 A 16 ASP C A 17 HIS N A 17 HIS CA A 17 HIS C 1.0 -91.45 -41.45 PHI 16 16 A 17 HIS N A 17 HIS CA A 17 HIS C A 18 LEU N 1.0 -68.01 -18.01 PSI 17 17 A 17 HIS C A 18 LEU N A 18 LEU CA A 18 LEU C 1.0 -90.86 -40.86 PHI 18 18 A 18 LEU N A 18 LEU CA A 18 LEU C A 19 TYR N 1.0 -69.35 -19.35 PSI 19 19 A 18 LEU C A 19 TYR N A 19 TYR CA A 19 TYR C 1.0 -84.19 -34.19 PHI 20 20 A 19 TYR N A 19 TYR CA A 19 TYR C A 20 GLU N 1.0 -68.31 -18.31 PSI 21 21 A 19 TYR C A 20 GLU N A 20 GLU CA A 20 GLU C 1.0 -85.60 -35.60 PHI 22 22 A 20 GLU N A 20 GLU CA A 20 GLU C A 21 PHE N 1.0 -60.38 -10.38 PSI 23 23 A 20 GLU C A 21 PHE N A 21 PHE CA A 21 PHE C 1.0 -92.62 -42.62 PHI 24 24 A 21 PHE N A 21 PHE CA A 21 PHE C A 22 LEU N 1.0 -68.98 -18.98 PSI 25 25 A 21 PHE C A 22 LEU N A 22 LEU CA A 22 LEU C 1.0 -89.70 -39.70 PHI 26 26 A 22 LEU N A 22 LEU CA A 22 LEU C A 23 ASP N 1.0 -66.65 -16.65 PSI 27 27 A 22 LEU C A 23 ASP N A 23 ASP CA A 23 ASP C 1.0 -96.54 -39.38 PHI 28 28 A 23 ASP N A 23 ASP CA A 23 ASP C A 24 LYS N 1.0 -63.27 7.13 PSI 29 29 A 23 ASP C A 24 LYS N A 24 LYS CA A 24 LYS C 1.0 -124.46 -74.46 PHI 30 30 A 24 LYS N A 24 LYS CA A 24 LYS C A 25 GLU N 1.0 -15.71 44.29 PSI 31 31 A 25 GLU C A 26 MET N A 26 MET CA A 26 MET C 1.0 -111.29 -51.29 PHI 32 32 A 26 MET C A 27 PRO N A 27 PRO CA A 27 PRO C 1.0 -84.03 -34.03 PHI 33 33 A 27 PRO N A 27 PRO CA A 27 PRO C A 28 ASP N 1.0 119.94 171.86 PSI 34 34 A 27 PRO C A 28 ASP N A 28 ASP CA A 28 ASP C 1.0 -82.02 -32.02 PHI 35 35 A 28 ASP C A 29 SER N A 29 SER CA A 29 SER C 1.0 -89.14 -39.14 PHI 36 36 A 29 SER N A 29 SER CA A 29 SER C A 30 ASP N 1.0 -60.16 -10.16 PSI 37 37 A 29 SER C A 30 ASP N A 30 ASP CA A 30 ASP C 1.0 -89.84 -39.84 PHI 38 38 A 30 ASP N A 30 ASP CA A 30 ASP C A 31 ALA N 1.0 -72.71 -22.71 PSI 39 39 A 30 ASP C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -83.12 -33.12 PHI 40 40 A 31 ALA N A 31 ALA CA A 31 ALA C A 32 VAL N 1.0 -67.82 -17.82 PSI 41 41 A 31 ALA C A 32 VAL N A 32 VAL CA A 32 VAL C 1.0 -92.02 -42.02 PHI 42 42 A 32 VAL N A 32 VAL CA A 32 VAL C A 33 LYS N 1.0 -61.46 -11.46 PSI 43 43 A 32 VAL C A 33 LYS N A 33 LYS CA A 33 LYS C 1.0 -89.78 -39.78 PHI 44 44 A 33 LYS C A 34 PHE N A 34 PHE CA A 34 PHE C 1.0 -96.09 -46.09 PHI 45 45 A 34 PHE N A 34 PHE CA A 34 PHE C A 35 GLU N 1.0 -66.16 -16.16 PSI 46 46 A 34 PHE C A 35 GLU N A 35 GLU CA A 35 GLU C 1.0 -89.96 -39.96 PHI 47 47 A 35 GLU N A 35 GLU CA A 35 GLU C A 36 HIS N 1.0 -64.03 -14.03 PSI 48 48 A 35 GLU C A 36 HIS N A 36 HIS CA A 36 HIS C 1.0 -85.57 -35.57 PHI 49 49 A 36 HIS N A 36 HIS CA A 36 HIS C A 37 HIS N 1.0 -70.87 -20.87 PSI 50 50 A 36 HIS C A 37 HIS N A 37 HIS CA A 37 HIS C 1.0 -93.38 -43.38 PHI 51 51 A 37 HIS N A 37 HIS CA A 37 HIS C A 38 PHE N 1.0 -62.83 -2.83 PSI 52 52 A 37 HIS C A 38 PHE N A 38 PHE CA A 38 PHE C 1.0 -114.16 -61.16 PHI 53 53 A 38 PHE N A 38 PHE CA A 38 PHE C A 39 GLU N 1.0 -41.10 23.30 PSI 54 54 A 42 SER C A 43 PRO N A 43 PRO CA A 43 PRO C 1.0 -102.78 -52.78 PHI 55 55 A 43 PRO N A 43 PRO CA A 43 PRO C A 44 CYS N 1.0 103.90 153.90 PSI 56 56 A 50 LEU C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -82.96 -32.96 PHI 57 57 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 GLN N 1.0 -73.04 -23.04 PSI 58 58 A 51 GLU C A 52 GLN N A 52 GLN CA A 52 GLN C 1.0 -87.91 -37.91 PHI 59 59 A 52 GLN N A 52 GLN CA A 52 GLN C A 53 ALA N 1.0 -68.24 -18.24 PSI 60 60 A 52 GLN C A 53 ALA N A 53 ALA CA A 53 ALA C 1.0 -93.13 -43.13 PHI 61 61 A 53 ALA N A 53 ALA CA A 53 ALA C A 54 VAL N 1.0 -68.78 -18.78 PSI 62 62 A 53 ALA C A 54 VAL N A 54 VAL CA A 54 VAL C 1.0 -88.55 -38.55 PHI 63 63 A 54 VAL N A 54 VAL CA A 54 VAL C A 55 LYS N 1.0 -72.07 -22.07 PSI 64 64 A 54 VAL C A 55 LYS N A 55 LYS CA A 55 LYS C 1.0 -83.18 -33.18 PHI 65 65 A 55 LYS N A 55 LYS CA A 55 LYS C A 56 LYS N 1.0 -69.97 -19.97 PSI 66 66 A 55 LYS C A 56 LYS N A 56 LYS CA A 56 LYS C 1.0 -85.18 -35.18 PHI 67 67 A 56 LYS N A 56 LYS CA A 56 LYS C A 57 LEU N 1.0 -68.97 -18.97 PSI 68 68 A 56 LYS C A 57 LEU N A 57 LEU CA A 57 LEU C 1.0 -88.91 -38.91 PHI 69 69 A 57 LEU N A 57 LEU CA A 57 LEU C A 58 VAL N 1.0 -63.06 -13.06 PSI 70 70 A 57 LEU C A 58 VAL N A 58 VAL CA A 58 VAL C 1.0 -106.72 -56.72 PHI 71 71 A 58 VAL N A 58 VAL CA A 58 VAL C A 59 LYS N 1.0 -57.41 -7.41 PSI 72 72 A 70 ASP C A 71 LEU N A 71 LEU CA A 71 LEU C 1.0 -87.69 -37.69 PHI 73 73 A 71 LEU N A 71 LEU CA A 71 LEU C A 72 ARG N 1.0 -65.63 -15.63 PSI 74 74 A 71 LEU C A 72 ARG N A 72 ARG CA A 72 ARG C 1.0 -84.87 -34.87 PHI 75 75 A 72 ARG N A 72 ARG CA A 72 ARG C A 73 ALA N 1.0 -67.72 -17.72 PSI 76 76 A 72 ARG C A 73 ALA N A 73 ALA CA A 73 ALA C 1.0 -89.72 -39.72 PHI 77 77 A 73 ALA N A 73 ALA CA A 73 ALA C A 74 LYS N 1.0 -64.42 -14.42 PSI 78 78 A 73 ALA C A 74 LYS N A 74 LYS CA A 74 LYS C 1.0 -93.12 -43.12 PHI 79 79 A 74 LYS N A 74 LYS CA A 74 LYS C A 75 VAL N 1.0 -62.61 -12.61 PSI 80 80 A 74 LYS C A 75 VAL N A 75 VAL CA A 75 VAL C 1.0 -90.09 -40.09 PHI 81 81 A 75 VAL N A 75 VAL CA A 75 VAL C A 76 MET N 1.0 -71.54 -21.54 PSI 82 82 A 75 VAL C A 76 MET N A 76 MET CA A 76 MET C 1.0 -84.62 -34.62 PHI 83 83 A 76 MET N A 76 MET CA A 76 MET C A 77 GLY N 1.0 -68.37 -18.37 PSI 84 84 A 77 GLY C A 78 ARG N A 78 ARG CA A 78 ARG C 1.0 -92.84 -42.84 PHI 85 85 A 78 ARG N A 78 ARG CA A 78 ARG C A 79 LEU N 1.0 -64.56 -14.56 PSI 86 86 A 78 ARG C A 79 LEU N A 79 LEU CA A 79 LEU C 1.0 -92.25 -32.25 PHI 87 87 A 79 LEU N A 79 LEU CA A 79 LEU C A 80 ASP N 1.0 -64.54 -14.54 PSI 88 88 A 79 LEU C A 80 ASP N A 80 ASP CA A 80 ASP C 1.0 -90.13 -40.13 PHI 89 89 A 80 ASP N A 80 ASP CA A 80 ASP C A 81 LEU N 1.0 -63.92 -13.92 PSI 90 90 A 80 ASP C A 81 LEU N A 81 LEU CA A 81 LEU C 1.0 -89.98 -39.98 PHI 91 91 A 81 LEU N A 81 LEU CA A 81 LEU C A 82 ILE N 1.0 -64.24 -14.24 PSI 92 92 A 81 LEU C A 82 ILE N A 82 ILE CA A 82 ILE C 1.0 -88.39 -38.39 PHI 93 93 A 82 ILE N A 82 ILE CA A 82 ILE C A 83 ARG N 1.0 -66.84 -16.84 PSI 94 94 A 82 ILE C A 83 ARG N A 83 ARG CA A 83 ARG C 1.0 -92.99 -42.99 PHI 95 95 A 83 ARG N A 83 ARG CA A 83 ARG C A 84 SER N 1.0 -52.88 -2.88 PSI 96 96 A 83 ARG C A 84 SER N A 84 SER CA A 84 SER C 1.0 -120.72 -60.72 PHI 97 97 A 84 SER N A 84 SER CA A 84 SER C A 85 GLY N 1.0 -34.57 26.75 PSI 98 98 A 84 SER C A 85 GLY N A 85 GLY CA A 85 GLY C 1.0 62.71 112.71 PHI 99 99 A 85 GLY N A 85 GLY CA A 85 GLY C A 86 GLN N 1.0 -12.64 37.36 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 13 GLU N A 13 GLU H 1.0 . . . 2 2 A 15 LEU N A 15 LEU H 1.0 . . . 3 3 A 16 ASP N A 16 ASP H 1.0 . . . 4 4 A 22 LEU N A 22 LEU H 1.0 . . . 5 5 A 29 SER N A 29 SER H 1.0 . . . 6 6 A 31 ALA N A 31 ALA H 1.0 . . . 7 7 A 32 VAL N A 32 VAL H 1.0 . . . 8 8 A 33 LYS N A 33 LYS H 1.0 . . . 9 9 A 34 PHE N A 34 PHE H 1.0 . . . 10 10 A 35 GLU N A 35 GLU H 1.0 . . . 11 11 A 38 PHE N A 38 PHE H 1.0 . . . 12 12 A 39 GLU N A 39 GLU H 1.0 . . . 13 13 A 49 GLY N A 49 GLY H 1.0 . . . 14 14 A 52 GLN N A 52 GLN H 1.0 . . . 15 15 A 54 VAL N A 54 VAL H 1.0 . . . 16 16 A 57 LEU N A 57 LEU H 1.0 . . . 17 17 A 72 ARG N A 72 ARG H 1.0 . . . 18 18 A 73 ALA N A 73 ALA H 1.0 . . . 19 19 A 74 LYS N A 74 LYS H 1.0 . . . 20 20 A 75 VAL N A 75 VAL H 1.0 . . . 21 21 A 76 MET N A 76 MET H 1.0 . . . 22 22 A 77 GLY N A 77 GLY H 1.0 . . . 23 23 A 78 ARG N A 78 ARG H 1.0 . . . 24 24 A 79 LEU N A 79 LEU H 1.0 . . . 25 25 A 80 ASP N A 80 ASP H 1.0 . . . 26 26 A 81 LEU N A 81 LEU H 1.0 . . . 27 27 A 82 ILE N A 82 ILE H 1.0 . . . 28 28 A 83 ARG N A 83 ARG H 1.0 . . . 29 29 A 84 SER N A 84 SER H 1.0 . . . stop_ save_