data_nef_c30160_5t3m 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 PDB 5T3M stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 2 CYS SG 1 17 CYS SG 1 9 CYS SG 1 24 CYS SG 1 16 CYS SG 1 31 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 CYS middle -HG . 3 A 3 LEU middle . . 4 A 4 GLY middle . false 5 A 5 ILE middle . . 6 A 6 PHE middle . . 7 A 7 LYS middle . . 8 A 8 ALA middle . . 9 A 9 CYS middle -HG . 10 A 10 ASN middle . . 11 A 11 PRO middle . false 12 A 12 SER middle . . 13 A 13 ASN middle . . 14 A 14 ASP middle . . 15 A 15 GLN middle . . 16 A 16 CYS middle -HG . 17 A 17 CYS middle -HG . 18 A 18 LYS middle . . 19 A 19 SER middle . . 20 A 20 SER middle . . 21 A 21 LYS middle . . 22 A 22 LEU middle . . 23 A 23 VAL middle . . 24 A 24 CYS middle -HG . 25 A 25 SER middle . . 26 A 26 ARG middle . . 27 A 27 LYS middle . . 28 A 28 THR middle . . 29 A 29 ARG middle . . 30 A 30 TRP middle . . 31 A 31 CYS middle -HG . 32 A 32 LYS middle . . 33 A 33 TRP middle . . 34 A 34 GLN middle . . 35 A 35 ILE end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 GLY HAx H 1 3.902 0.000 A 1 GLY HAy H 1 3.902 0.000 A 1 GLY C C 13 169.639 0.000 A 1 GLY CA C 13 43.353 0.000 A 2 CYS H H 1 8.562 0.000 A 2 CYS HA H 1 5.055 0.000 A 2 CYS HB2 H 1 3.187 0.000 A 2 CYS HB3 H 1 3.309 0.000 A 2 CYS C C 13 173.427 0.000 A 2 CYS CA C 13 54.685 0.000 A 2 CYS CB C 13 44.216 0.000 A 2 CYS N N 15 116.736 0.010 A 3 LEU H H 1 8.807 0.000 A 3 LEU HA H 1 4.365 0.000 A 3 LEU HB2 H 1 1.770 0.000 A 3 LEU HB3 H 1 1.395 0.000 A 3 LEU HD1% H 1 0.960 0.000 A 3 LEU HD2% H 1 0.846 0.000 A 3 LEU HG H 1 1.581 0.000 A 3 LEU C C 13 174.726 0.000 A 3 LEU CA C 13 54.462 0.000 A 3 LEU CB C 13 44.671 0.000 A 3 LEU CD1 C 13 26.227 0.000 A 3 LEU CD2 C 13 22.307 0.000 A 3 LEU CG C 13 26.289 0.000 A 3 LEU N N 15 122.044 0.009 A 4 GLY H H 1 7.907 0.000 A 4 GLY HA2 H 1 4.052 0.000 A 4 GLY HA3 H 1 3.554 0.000 A 4 GLY C C 13 172.576 0.000 A 4 GLY CA C 13 42.984 0.000 A 4 GLY N N 15 107.470 0.009 A 5 ILE H H 1 7.860 0.003 A 5 ILE HA H 1 3.220 0.000 A 5 ILE HB H 1 1.245 0.000 A 5 ILE HD1% H 1 0.130 0.001 A 5 ILE HG1y H 1 0.473 0.000 A 5 ILE HG1x H 1 -0.039 0.000 A 5 ILE HG2% H 1 0.665 0.000 A 5 ILE C C 13 175.015 0.000 A 5 ILE CA C 13 62.548 0.005 A 5 ILE CB C 13 38.450 0.002 A 5 ILE CD1 C 13 13.723 0.002 A 5 ILE CG1 C 13 27.956 0.001 A 5 ILE CG2 C 13 15.530 0.002 A 5 ILE N N 15 117.712 0.125 A 6 PHE H H 1 8.611 0.000 A 6 PHE HA H 1 3.772 0.000 A 6 PHE HBy H 1 3.116 0.000 A 6 PHE HBx H 1 2.901 0.000 A 6 PHE HD1 H 1 6.539 0.000 A 6 PHE HD2 H 1 6.539 0.000 A 6 PHE HE1 H 1 7.238 0.002 A 6 PHE HE2 H 1 7.238 0.002 A 6 PHE HZ H 1 7.247 0.000 A 6 PHE C C 13 175.034 0.000 A 6 PHE CA C 13 59.376 0.000 A 6 PHE CB C 13 36.270 0.000 A 6 PHE CD1 C 13 131.319 0.009 A 6 PHE CE1 C 13 131.341 0.000 A 6 PHE CE2 C 13 131.341 0.002 A 6 PHE CZ C 13 129.491 0.015 A 6 PHE N N 15 116.511 0.007 A 7 LYS H H 1 7.676 0.001 A 7 LYS HA H 1 4.360 0.000 A 7 LYS HB2 H 1 2.096 0.000 A 7 LYS HB3 H 1 1.756 0.000 A 7 LYS HDy H 1 1.690 0.004 A 7 LYS HDx H 1 1.638 0.000 A 7 LYS HEy H 1 3.060 0.000 A 7 LYS HEx H 1 2.979 0.000 A 7 LYS HG2 H 1 1.224 0.000 A 7 LYS HG3 H 1 1.475 0.000 A 7 LYS C C 13 176.392 0.000 A 7 LYS CA C 13 54.669 0.000 A 7 LYS CB C 13 32.575 0.000 A 7 LYS CD C 13 27.938 0.000 A 7 LYS CE C 13 42.297 0.000 A 7 LYS CG C 13 24.526 0.008 A 7 LYS N N 15 120.057 0.005 A 8 ALA H H 1 8.353 0.000 A 8 ALA HA H 1 4.820 0.000 A 8 ALA HB% H 1 1.529 0.000 A 8 ALA C C 13 176.973 0.000 A 8 ALA CA C 13 52.743 0.000 A 8 ALA CB C 13 18.956 0.000 A 8 ALA N N 15 124.250 0.007 A 9 CYS H H 1 8.369 0.000 A 9 CYS HA H 1 4.846 0.000 A 9 CYS HB2 H 1 3.098 0.000 A 9 CYS HB3 H 1 2.978 0.000 A 9 CYS C C 13 170.755 0.000 A 9 CYS CA C 13 53.988 0.000 A 9 CYS CB C 13 46.381 0.000 A 9 CYS N N 15 116.592 0.007 A 10 ASN H H 1 9.120 0.000 A 10 ASN HA H 1 5.137 0.000 A 10 ASN HBy H 1 3.010 0.000 A 10 ASN HBx H 1 2.764 0.000 A 10 ASN HD21 H 1 7.758 0.000 A 10 ASN HD22 H 1 7.107 0.001 A 10 ASN CA C 13 48.463 0.000 A 10 ASN CB C 13 40.323 0.000 A 10 ASN N N 15 119.257 0.000 A 10 ASN ND2 N 15 111.881 0.003 A 11 PRO HA H 1 3.841 0.000 A 11 PRO HB2 H 1 1.980 0.000 A 11 PRO HB3 H 1 2.090 0.000 A 11 PRO HD2 H 1 3.917 0.000 A 11 PRO HD3 H 1 3.847 0.000 A 11 PRO HG2 H 1 2.061 0.000 A 11 PRO HG3 H 1 1.780 0.000 A 11 PRO C C 13 176.800 0.000 A 11 PRO CA C 13 64.648 0.000 A 11 PRO CB C 13 31.891 0.000 A 11 PRO CD C 13 50.712 0.000 A 11 PRO CG C 13 27.589 0.000 A 12 SER H H 1 7.800 0.000 A 12 SER HA H 1 4.414 0.000 A 12 SER HBy H 1 3.923 0.000 A 12 SER HBx H 1 3.802 0.000 A 12 SER C C 13 173.555 0.000 A 12 SER CA C 13 59.328 0.000 A 12 SER CB C 13 63.300 0.000 A 12 SER N N 15 110.618 0.004 A 13 ASN H H 1 7.613 0.000 A 13 ASN HA H 1 4.633 0.000 A 13 ASN HB2 H 1 2.604 0.000 A 13 ASN HB3 H 1 2.652 0.000 A 13 ASN HD2y H 1 7.523 0.000 A 13 ASN HD2x H 1 6.819 0.001 A 13 ASN C C 13 174.098 0.000 A 13 ASN CA C 13 52.757 0.000 A 13 ASN CB C 13 37.681 0.000 A 13 ASN N N 15 120.663 0.017 A 13 ASN ND2 N 15 110.717 0.003 A 14 ASP H H 1 8.664 0.000 A 14 ASP HA H 1 4.102 0.000 A 14 ASP HB2 H 1 3.011 0.000 A 14 ASP HB3 H 1 2.495 0.000 A 14 ASP C C 13 177.582 0.000 A 14 ASP CA C 13 55.690 0.000 A 14 ASP CB C 13 41.428 0.000 A 14 ASP N N 15 123.852 0.003 A 15 GLN H H 1 8.064 0.000 A 15 GLN HA H 1 4.605 0.000 A 15 GLN HB2 H 1 1.760 0.000 A 15 GLN HB3 H 1 2.724 0.000 A 15 GLN HE2y H 1 7.093 0.001 A 15 GLN HE2x H 1 6.842 0.001 A 15 GLN HGy H 1 2.416 0.000 A 15 GLN HGx H 1 2.332 0.000 A 15 GLN C C 13 176.573 0.000 A 15 GLN CA C 13 54.474 0.000 A 15 GLN CB C 13 28.312 0.000 A 15 GLN CG C 13 33.223 0.000 A 15 GLN N N 15 127.101 0.002 A 15 GLN NE2 N 15 113.232 0.001 A 16 CYS H H 1 9.326 0.000 A 16 CYS HA H 1 4.947 0.000 A 16 CYS HB2 H 1 2.759 0.000 A 16 CYS HB3 H 1 2.590 0.000 A 16 CYS C C 13 176.589 0.000 A 16 CYS CA C 13 56.637 0.000 A 16 CYS CB C 13 39.139 0.000 A 16 CYS N N 15 122.536 0.004 A 17 CYS H H 1 9.259 0.000 A 17 CYS HA H 1 4.562 0.000 A 17 CYS HB2 H 1 3.162 0.000 A 17 CYS HB3 H 1 2.775 0.000 A 17 CYS C C 13 175.498 0.000 A 17 CYS CA C 13 55.468 0.000 A 17 CYS CB C 13 41.257 0.000 A 17 CYS N N 15 119.255 0.004 A 18 LYS H H 1 8.902 0.000 A 18 LYS HA H 1 4.269 0.000 A 18 LYS HBx H 1 1.924 0.004 A 18 LYS HBy H 1 1.924 0.004 A 18 LYS HDx H 1 1.727 0.000 A 18 LYS HDy H 1 1.727 0.000 A 18 LYS HEx H 1 3.063 0.000 A 18 LYS HEy H 1 3.063 0.000 A 18 LYS HG2 H 1 1.659 0.000 A 18 LYS HG3 H 1 1.590 0.000 A 18 LYS C C 13 181.267 0.000 A 18 LYS CA C 13 58.515 0.000 A 18 LYS CB C 13 31.736 0.017 A 18 LYS CD C 13 28.500 0.000 A 18 LYS CE C 13 42.337 0.000 A 18 LYS CG C 13 24.784 0.000 A 18 LYS N N 15 131.131 0.008 A 19 SER H H 1 8.959 0.000 A 19 SER HA H 1 4.271 0.000 A 19 SER HBy H 1 4.018 0.000 A 19 SER HBx H 1 3.937 0.000 A 19 SER C C 13 175.704 0.000 A 19 SER CA C 13 60.649 0.000 A 19 SER CB C 13 61.856 0.000 A 19 SER N N 15 116.608 0.012 A 20 SER H H 1 6.846 0.000 A 20 SER HA H 1 4.701 0.000 A 20 SER HBy H 1 4.123 0.000 A 20 SER HBx H 1 3.637 0.000 A 20 SER C C 13 172.207 0.000 A 20 SER CA C 13 57.707 0.001 A 20 SER CB C 13 63.825 0.000 A 20 SER N N 15 115.975 0.007 A 21 LYS H H 1 7.988 0.000 A 21 LYS HA H 1 3.841 0.000 A 21 LYS HB2 H 1 2.005 0.000 A 21 LYS HB3 H 1 2.131 0.000 A 21 LYS HDx H 1 1.701 0.000 A 21 LYS HDy H 1 1.701 0.000 A 21 LYS HEx H 1 2.986 0.003 A 21 LYS HEy H 1 2.986 0.003 A 21 LYS HG2 H 1 1.330 0.000 A 21 LYS HG3 H 1 1.399 0.000 A 21 LYS C C 13 173.952 0.000 A 21 LYS CA C 13 57.218 0.000 A 21 LYS CB C 13 28.207 0.000 A 21 LYS CD C 13 29.072 0.000 A 21 LYS CE C 13 42.054 0.001 A 21 LYS CG C 13 25.231 0.000 A 21 LYS N N 15 114.407 0.017 A 22 LEU H H 1 6.975 0.001 A 22 LEU HA H 1 5.116 0.000 A 22 LEU HB2 H 1 1.734 0.000 A 22 LEU HB3 H 1 0.792 0.000 A 22 LEU HD1% H 1 0.789 0.000 A 22 LEU HD2% H 1 0.265 0.000 A 22 LEU HG H 1 1.408 0.000 A 22 LEU C C 13 176.794 0.000 A 22 LEU CA C 13 52.809 0.000 A 22 LEU CB C 13 45.480 0.000 A 22 LEU CD1 C 13 26.827 0.000 A 22 LEU CD2 C 13 23.038 0.000 A 22 LEU CG C 13 26.153 0.000 A 22 LEU N N 15 114.388 0.015 A 23 VAL H H 1 9.059 0.000 A 23 VAL HA H 1 4.294 0.000 A 23 VAL HB H 1 1.854 0.000 A 23 VAL HG1% H 1 0.841 0.000 A 23 VAL HG2% H 1 0.779 0.000 A 23 VAL C C 13 173.454 0.000 A 23 VAL CA C 13 59.699 0.000 A 23 VAL CB C 13 36.192 0.000 A 23 VAL CG1 C 13 20.922 0.000 A 23 VAL CG2 C 13 20.641 0.000 A 23 VAL N N 15 117.685 0.013 A 24 CYS H H 1 9.645 0.000 A 24 CYS HA H 1 4.529 0.000 A 24 CYS HB2 H 1 3.138 0.000 A 24 CYS HB3 H 1 2.542 0.000 A 24 CYS C C 13 174.321 0.000 A 24 CYS CA C 13 55.728 0.000 A 24 CYS CB C 13 37.817 0.000 A 24 CYS N N 15 125.801 0.010 A 25 SER H H 1 7.700 0.000 A 25 SER HA H 1 4.329 0.000 A 25 SER HB2 H 1 3.800 0.000 A 25 SER HB3 H 1 4.027 0.000 A 25 SER C C 13 176.634 0.000 A 25 SER CA C 13 57.701 0.000 A 25 SER CB C 13 63.570 0.000 A 25 SER N N 15 123.658 0.013 A 26 ARG H H 1 8.965 0.001 A 26 ARG HA H 1 3.853 0.000 A 26 ARG HB2 H 1 1.868 0.000 A 26 ARG HB3 H 1 1.771 0.000 A 26 ARG HDx H 1 3.199 0.000 A 26 ARG HDy H 1 3.199 0.000 A 26 ARG HE H 1 7.295 0.008 A 26 ARG HG2 H 1 1.618 0.000 A 26 ARG HG3 H 1 1.740 0.000 A 26 ARG C C 13 176.787 0.000 A 26 ARG CA C 13 58.871 0.000 A 26 ARG CB C 13 30.001 0.000 A 26 ARG CD C 13 43.308 0.000 A 26 ARG CG C 13 28.538 0.000 A 26 ARG N N 15 128.676 0.016 A 26 ARG NE N 15 116.438 0.000 A 27 LYS H H 1 7.851 0.000 A 27 LYS HA H 1 4.155 0.000 A 27 LYS HB2 H 1 1.706 0.000 A 27 LYS HB3 H 1 1.662 0.000 A 27 LYS HDx H 1 1.624 0.000 A 27 LYS HDy H 1 1.624 0.000 A 27 LYS HEx H 1 2.923 0.000 A 27 LYS HEy H 1 2.923 0.000 A 27 LYS HGy H 1 1.382 0.000 A 27 LYS HGx H 1 1.276 0.000 A 27 LYS C C 13 177.784 0.000 A 27 LYS CA C 13 58.025 0.000 A 27 LYS CB C 13 33.432 0.000 A 27 LYS CD C 13 29.067 0.000 A 27 LYS CE C 13 42.067 0.000 A 27 LYS CG C 13 25.013 0.000 A 27 LYS N N 15 117.228 0.002 A 28 THR H H 1 7.400 0.000 A 28 THR HA H 1 3.898 0.000 A 28 THR HB H 1 2.482 0.000 A 28 THR HG2% H 1 0.607 0.000 A 28 THR C C 13 173.849 0.000 A 28 THR CA C 13 60.966 0.000 A 28 THR CB C 13 69.785 0.000 A 28 THR CG2 C 13 21.673 0.000 A 28 THR N N 15 105.257 0.001 A 29 ARG H H 1 8.006 0.000 A 29 ARG HA H 1 3.748 0.000 A 29 ARG HB2 H 1 2.029 0.000 A 29 ARG HB3 H 1 2.338 0.000 A 29 ARG HDy H 1 3.234 0.000 A 29 ARG HDx H 1 3.188 0.000 A 29 ARG HE H 1 7.302 0.000 A 29 ARG HG2 H 1 1.261 0.000 A 29 ARG HG3 H 1 1.420 0.000 A 29 ARG C C 13 175.712 0.000 A 29 ARG CA C 13 57.546 0.000 A 29 ARG CB C 13 26.440 0.000 A 29 ARG CD C 13 43.660 0.009 A 29 ARG CG C 13 28.311 0.000 A 29 ARG N N 15 115.697 0.012 A 29 ARG NE N 15 116.940 0.012 A 30 TRP H H 1 7.122 0.001 A 30 TRP HA H 1 5.590 0.000 A 30 TRP HB2 H 1 2.734 0.000 A 30 TRP HB3 H 1 3.160 0.000 A 30 TRP HD1 H 1 6.989 0.000 A 30 TRP HE1 H 1 10.534 0.000 A 30 TRP HE3 H 1 7.587 0.001 A 30 TRP HH2 H 1 7.289 0.002 A 30 TRP HZ2 H 1 7.566 0.000 A 30 TRP HZ3 H 1 7.192 0.001 A 30 TRP C C 13 177.451 0.000 A 30 TRP CA C 13 55.633 0.000 A 30 TRP CB C 13 31.331 0.000 A 30 TRP CD1 C 13 126.460 0.014 A 30 TRP CE3 C 13 121.876 0.057 A 30 TRP CH2 C 13 125.013 0.016 A 30 TRP CZ2 C 13 114.545 0.036 A 30 TRP CZ3 C 13 122.236 0.017 A 30 TRP N N 15 112.217 0.008 A 30 TRP NE1 N 15 129.897 0.007 A 31 CYS H H 1 8.586 0.000 A 31 CYS HA H 1 4.891 0.000 A 31 CYS HB2 H 1 3.224 0.000 A 31 CYS HB3 H 1 2.506 0.000 A 31 CYS C C 13 174.332 0.000 A 31 CYS CA C 13 54.817 0.000 A 31 CYS CB C 13 39.863 0.000 A 31 CYS N N 15 119.106 0.012 A 32 LYS H H 1 9.494 0.000 A 32 LYS HA H 1 4.725 0.000 A 32 LYS HBx H 1 1.930 0.000 A 32 LYS HBy H 1 1.930 0.000 A 32 LYS HDx H 1 1.701 0.000 A 32 LYS HDy H 1 1.701 0.000 A 32 LYS HEx H 1 3.041 0.000 A 32 LYS HEy H 1 3.041 0.000 A 32 LYS HG2 H 1 1.456 0.000 A 32 LYS HG3 H 1 1.566 0.000 A 32 LYS C C 13 174.535 0.000 A 32 LYS CA C 13 54.355 0.000 A 32 LYS CB C 13 36.237 0.000 A 32 LYS CD C 13 29.776 0.000 A 32 LYS CE C 13 42.054 0.001 A 32 LYS CG C 13 23.930 0.000 A 32 LYS N N 15 124.756 0.001 A 33 TRP H H 1 7.951 0.000 A 33 TRP HA H 1 4.833 0.000 A 33 TRP HB2 H 1 3.034 0.000 A 33 TRP HB3 H 1 3.323 0.000 A 33 TRP HD1 H 1 7.339 0.000 A 33 TRP HE1 H 1 10.078 0.000 A 33 TRP HE3 H 1 7.587 0.000 A 33 TRP HH2 H 1 7.208 0.000 A 33 TRP HZ2 H 1 7.421 0.001 A 33 TRP HZ3 H 1 7.192 0.001 A 33 TRP C C 13 176.685 0.000 A 33 TRP CA C 13 58.136 0.000 A 33 TRP CB C 13 29.351 0.000 A 33 TRP CD1 C 13 127.541 0.002 A 33 TRP CE3 C 13 121.079 0.034 A 33 TRP CH2 C 13 124.470 0.009 A 33 TRP CZ2 C 13 114.484 0.004 A 33 TRP CZ3 C 13 122.236 0.017 A 33 TRP N N 15 121.744 0.004 A 33 TRP NE1 N 15 129.499 0.006 A 34 GLN H H 1 8.739 0.000 A 34 GLN HA H 1 4.197 0.000 A 34 GLN HB2 H 1 1.936 0.000 A 34 GLN HB3 H 1 1.796 0.000 A 34 GLN HE2x H 1 6.810 0.001 A 34 GLN HE2y H 1 7.570 0.000 A 34 GLN HGy H 1 2.222 0.000 A 34 GLN HGx H 1 2.153 0.000 A 34 GLN C C 13 173.649 0.000 A 34 GLN CA C 13 56.052 0.000 A 34 GLN CB C 13 30.612 0.000 A 34 GLN CG C 13 33.947 0.000 A 34 GLN N N 15 126.388 0.008 A 34 GLN NE2 N 15 112.377 0.001 A 35 ILE H H 1 7.573 0.000 A 35 ILE HA H 1 3.881 0.000 A 35 ILE HB H 1 1.697 0.000 A 35 ILE HD1% H 1 0.859 0.000 A 35 ILE HG1x H 1 1.063 0.000 A 35 ILE HG1y H 1 1.358 0.000 A 35 ILE HG2% H 1 0.791 0.000 A 35 ILE CA C 13 62.962 0.000 A 35 ILE CB C 13 39.346 0.000 A 35 ILE CD1 C 13 13.727 0.000 A 35 ILE CG1 C 13 27.679 0.000 A 35 ILE CG2 C 13 17.937 0.000 A 35 ILE N N 15 127.459 0.011 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type upper-bound-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 2 CYS SG A 17 CYS SG 1.0 . 2.01 2 2 A 2 CYS SG A 17 CYS CB 1.0 . 2.99 3 3 A 17 CYS SG A 2 CYS CB 1.0 . 2.99 4 4 A 17 CYS CB A 2 CYS CB 1.0 . 3.40 5 5 A 9 CYS SG A 24 CYS SG 1.0 . 2.01 6 6 A 9 CYS SG A 24 CYS CB 1.0 . 2.99 7 7 A 24 CYS SG A 9 CYS CB 1.0 . 2.99 8 8 A 24 CYS CB A 9 CYS CB 1.0 . 3.40 9 9 A 16 CYS SG A 31 CYS SG 1.0 . 2.01 10 10 A 16 CYS SG A 31 CYS CB 1.0 . 2.99 11 11 A 31 CYS SG A 16 CYS CB 1.0 . 2.99 12 12 A 31 CYS CB A 16 CYS CB 1.0 . 3.40 13 13 A 2 CYS SG A 17 CYS SG 1.0 . 2.05 14 14 A 2 CYS SG A 17 CYS CB 1.0 . 3.07 15 15 A 17 CYS SG A 2 CYS CB 1.0 . 3.07 16 16 A 17 CYS CB A 2 CYS CB 1.0 . 4.20 17 17 A 9 CYS SG A 24 CYS SG 1.0 . 2.05 18 18 A 9 CYS SG A 24 CYS CB 1.0 . 3.07 19 19 A 24 CYS SG A 9 CYS CB 1.0 . 3.07 20 20 A 24 CYS CB A 9 CYS CB 1.0 . 4.20 21 21 A 16 CYS SG A 31 CYS SG 1.0 . 2.05 22 22 A 16 CYS SG A 31 CYS CB 1.0 . 3.07 23 23 A 31 CYS SG A 16 CYS CB 1.0 . 3.07 24 24 A 31 CYS CB A 16 CYS CB 1.0 . 4.20 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 10 ASN HD21 A 13 ASN HB3 1.0 . 4.24 2 2 A 34 GLN HE2y A 35 ILE HG2% 1.0 . 5.13 3 3 A 35 ILE HG2% A 34 GLN HE2x 1.0 . 5.13 4 4 A 24 CYS HA A 25 SER H 1.0 . 2.74 5 5 A 3 LEU H A 17 CYS HA 1.0 . 4.26 6 6 A 3 LEU H A 2 CYS HB2 1.0 . 3.14 7 7 A 3 LEU H A 15 GLN HB3 1.0 . 4.34 8 8 A 3 LEU H A 3 LEU HB2 1.0 . 3.01 9 9 A 3 LEU H A 3 LEU HG 1.0 . 2.97 10 10 A 3 LEU H A 3 LEU HB3 1.0 . 3.86 11 11 A 3 LEU H A 3 LEU HD1% 1.0 . 3.93 12 12 A 3 LEU H A 3 LEU HD2% 1.0 . 3.87 13 13 A 3 LEU H A 16 CYS HA 1.0 . 3.36 14 14 A 3 LEU H A 17 CYS H 1.0 . 3.71 15 15 A 4 GLY H A 7 LYS HB2 1.0 . 4.40 16 16 A 3 LEU HB2 A 4 GLY H 1.0 . 4.53 17 17 A 4 GLY H A 7 LYS HB3 1.0 . 4.91 18 18 A 4 GLY H A 7 LYS HG3 1.0 . 3.38 19 19 A 4 GLY H A 7 LYS HG2 1.0 . 4.23 20 20 A 3 LEU HD2% A 4 GLY H 1.0 . 4.03 21 21 A 3 LEU H A 4 GLY H 1.0 . 4.81 22 22 A 5 ILE H A 5 ILE HG1x 1.0 . 4.70 23 23 A 5 ILE H A 5 ILE HG2% 1.0 . 2.90 24 24 A 5 ILE H A 4 GLY HA2 1.0 . 3.01 25 25 A 5 ILE H A 4 GLY HA3 1.0 . 2.97 26 26 A 5 ILE H A 5 ILE HB 1.0 . 2.78 27 27 A 5 ILE H A 22 LEU HD1% 1.0 . 3.43 28 28 A 5 ILE H A 5 ILE HG1y 1.0 . 4.70 29 29 A 5 ILE H A 22 LEU HD2% 1.0 . 4.21 30 30 A 5 ILE H A 6 PHE H 1.0 . 4.63 31 31 A 6 PHE H A 31 CYS HB2 1.0 . 3.02 32 32 A 6 PHE H A 30 TRP HB2 1.0 . 4.95 33 33 A 6 PHE H A 31 CYS HB3 1.0 . 4.03 34 34 A 5 ILE HG2% A 6 PHE H 1.0 . 4.48 35 35 A 6 PHE H A 5 ILE HG1y 1.0 . 3.53 36 36 A 22 LEU HD2% A 6 PHE H 1.0 . 4.69 37 37 A 6 PHE H A 5 ILE HG1x 1.0 . 3.53 38 38 A 6 PHE H A 7 LYS H 1.0 . 3.49 39 39 A 6 PHE H A 30 TRP HD1 1.0 . 4.44 40 40 A 6 PHE H A 6 PHE HD% 1.0 . 4.09 41 41 A 31 CYS HB2 A 7 LYS H 1.0 . 3.21 42 42 A 7 LYS H A 6 PHE HBx 1.0 . 4.56 43 43 A 30 TRP HB2 A 7 LYS H 1.0 . 4.48 44 44 A 31 CYS HB3 A 7 LYS H 1.0 . 4.23 45 45 A 7 LYS HB2 A 7 LYS H 1.0 . 2.96 46 46 A 7 LYS HB3 A 7 LYS H 1.0 . 3.93 47 47 A 7 LYS HG2 A 7 LYS H 1.0 . 3.35 48 48 A 7 LYS H A 31 CYS H 1.0 . 3.77 49 49 A 7 LYS H A 6 PHE HBy 1.0 . 4.56 50 50 A 8 ALA H A 30 TRP HB3 1.0 . 5.02 51 51 A 7 LYS HB2 A 8 ALA H 1.0 . 4.60 52 52 A 7 LYS HB3 A 8 ALA H 1.0 . 3.57 53 53 A 8 ALA H A 8 ALA HB% 1.0 . 2.73 54 54 A 7 LYS H A 8 ALA H 1.0 . 4.95 55 55 A 9 CYS H A 29 ARG HB3 1.0 . 4.13 56 56 A 8 ALA HB% A 9 CYS H 1.0 . 3.39 57 57 A 30 TRP HB3 A 9 CYS H 1.0 . 4.47 58 58 A 9 CYS H A 9 CYS HB3 1.0 . 3.94 59 59 A 30 TRP HB2 A 9 CYS H 1.0 . 4.78 60 60 A 9 CYS H A 29 ARG HB2 1.0 . 5.08 61 61 A 9 CYS H A 8 ALA HA 1.0 . 3.05 62 62 A 9 CYS H A 10 ASN H 1.0 . 4.74 63 63 A 10 ASN H A 14 ASP HA 1.0 . 4.51 64 64 A 10 ASN H A 10 ASN HBx 1.0 . 3.80 65 65 A 10 ASN H A 11 PRO HD3 1.0 . 4.93 66 66 A 3 LEU HD1% A 10 ASN H 1.0 . 4.33 67 67 A 10 ASN H A 9 CYS HA 1.0 . 3.40 68 68 A 10 ASN H A 15 GLN H 1.0 . 5.03 69 69 A 12 SER H A 12 SER HBx 1.0 . 3.89 70 70 A 12 SER H A 11 PRO HB2 1.0 . 4.00 71 71 A 12 SER H A 11 PRO HG3 1.0 . 5.14 72 72 A 13 ASN HB3 A 12 SER H 1.0 . 5.50 73 73 A 12 SER H A 13 ASN HB2 1.0 . 5.50 74 74 A 12 SER H A 10 ASN HA 1.0 . 4.50 75 75 A 12 SER H A 10 ASN HD22 1.0 . 5.15 76 76 A 14 ASP HA A 13 ASN H 1.0 . 4.35 77 77 A 13 ASN H A 12 SER HBx 1.0 . 4.35 78 78 A 13 ASN HB3 A 13 ASN H 1.0 . 3.71 79 79 A 13 ASN HB2 A 13 ASN H 1.0 . 3.90 80 80 A 10 ASN HA A 13 ASN H 1.0 . 4.92 81 81 A 10 ASN H A 13 ASN H 1.0 . 4.94 82 82 A 13 ASN H A 14 ASP H 1.0 . 3.54 83 83 A 12 SER H A 11 PRO HD2 1.0 . 3.45 84 84 A 13 ASN H A 12 SER HBy 1.0 . 4.35 85 85 A 14 ASP H A 12 SER HA 1.0 . 5.10 86 86 A 13 ASN HB3 A 14 ASP H 1.0 . 4.70 87 87 A 13 ASN HB2 A 14 ASP H 1.0 . 5.14 88 88 A 14 ASP H A 14 ASP HB3 1.0 . 2.98 89 89 A 14 ASP H A 13 ASN HA 1.0 . 2.92 90 90 A 14 ASP H A 14 ASP HB2 1.0 . 2.88 91 91 A 14 ASP H A 11 PRO HA 1.0 . 4.81 92 92 A 15 GLN H A 14 ASP H 1.0 . 4.90 93 93 A 14 ASP H A 24 CYS HB2 1.0 . 5.24 94 94 A 15 GLN H A 9 CYS HB2 1.0 . 4.27 95 95 A 15 GLN HB3 A 15 GLN H 1.0 . 4.02 96 96 A 3 LEU HD1% A 15 GLN H 1.0 . 4.13 97 97 A 15 GLN H A 15 GLN HB2 1.0 . 3.27 98 98 A 15 GLN H A 14 ASP HB3 1.0 . 4.55 99 99 A 24 CYS HB2 A 16 CYS H 1.0 . 4.19 100 100 A 16 CYS H A 16 CYS HB2 1.0 . 2.99 101 101 A 16 CYS H A 16 CYS HB3 1.0 . 3.67 102 102 A 3 LEU HB2 A 16 CYS H 1.0 . 4.52 103 103 A 15 GLN HB2 A 16 CYS H 1.0 . 4.86 104 104 A 3 LEU HD1% A 16 CYS H 1.0 . 4.49 105 105 A 15 GLN H A 16 CYS H 1.0 . 3.16 106 106 A 17 CYS H A 4 GLY HA2 1.0 . 4.61 107 107 A 17 CYS H A 17 CYS HB2 1.0 . 3.47 108 108 A 17 CYS H A 16 CYS HB2 1.0 . 3.92 109 109 A 17 CYS H A 16 CYS HB3 1.0 . 3.67 110 110 A 17 CYS H A 22 LEU HB2 1.0 . 3.48 111 111 A 17 CYS H A 22 LEU HG 1.0 . 5.50 112 112 A 17 CYS H A 22 LEU HD1% 1.0 . 3.29 113 113 A 16 CYS HA A 17 CYS H 1.0 . 2.84 114 114 A 17 CYS HA A 18 LYS H 1.0 . 2.79 115 115 A 18 LYS H A 2 CYS HB3 1.0 . 4.82 116 116 A 2 CYS HB2 A 18 LYS H 1.0 . 3.98 117 117 A 18 LYS H A 18 LYS HBx 1.0 . 3.00 118 117 A 18 LYS H A 18 LYS HBy 1.0 . 3.00 119 118 A 18 LYS H A 18 LYS HG2 1.0 . 3.26 120 119 A 18 LYS H A 17 CYS HB3 1.0 . 4.61 121 120 A 17 CYS HB2 A 19 SER H 1.0 . 5.50 122 121 A 19 SER H A 18 LYS HBx 1.0 . 5.46 123 121 A 18 LYS HBy A 19 SER H 1.0 . 5.46 124 122 A 20 SER H A 20 SER HBy 1.0 . 3.88 125 123 A 20 SER H A 21 LYS HA 1.0 . 4.88 126 124 A 20 SER H A 20 SER HBx 1.0 . 3.88 127 125 A 17 CYS HB2 A 20 SER H 1.0 . 3.59 128 126 A 17 CYS HB3 A 20 SER H 1.0 . 3.82 129 127 A 20 SER H A 18 LYS HBx 1.0 . 4.87 130 127 A 18 LYS HBy A 20 SER H 1.0 . 4.87 131 128 A 22 LEU HG A 20 SER H 1.0 . 4.29 132 129 A 22 LEU HD1% A 20 SER H 1.0 . 4.50 133 130 A 22 LEU HB2 A 20 SER H 1.0 . 4.72 134 131 A 19 SER H A 20 SER H 1.0 . 4.10 135 132 A 18 LYS HA A 21 LYS H 1.0 . 3.54 136 133 A 21 LYS H A 21 LYS HB3 1.0 . 4.08 137 134 A 21 LYS H A 18 LYS HBx 1.0 . 4.44 138 134 A 18 LYS HBy A 21 LYS H 1.0 . 4.44 139 135 A 21 LYS H A 18 LYS HDx 1.0 . 5.47 140 135 A 21 LYS H A 18 LYS HDy 1.0 . 5.47 141 136 A 21 LYS H A 21 LYS HDx 1.0 . 5.50 142 136 A 21 LYS H A 21 LYS HDy 1.0 . 5.50 143 137 A 22 LEU HG A 21 LYS H 1.0 . 4.40 144 138 A 22 LEU HD1% A 21 LYS H 1.0 . 4.91 145 139 A 20 SER H A 21 LYS H 1.0 . 3.00 146 140 A 16 CYS HB2 A 22 LEU H 1.0 . 4.59 147 141 A 16 CYS HB3 A 22 LEU H 1.0 . 4.57 148 142 A 21 LYS HB3 A 22 LEU H 1.0 . 4.75 149 143 A 22 LEU H A 21 LYS HB2 1.0 . 4.92 150 144 A 22 LEU HB2 A 22 LEU H 1.0 . 3.10 151 145 A 22 LEU HG A 22 LEU H 1.0 . 3.11 152 146 A 22 LEU HD1% A 22 LEU H 1.0 . 3.62 153 147 A 22 LEU HD2% A 22 LEU H 1.0 . 4.27 154 148 A 21 LYS H A 22 LEU H 1.0 . 3.29 155 149 A 22 LEU H A 23 VAL H 1.0 . 4.77 156 150 A 16 CYS HB3 A 23 VAL H 1.0 . 4.69 157 151 A 23 VAL H A 23 VAL HB 1.0 . 3.70 158 152 A 23 VAL H A 32 LYS HG2 1.0 . 4.49 159 153 A 23 VAL H A 22 LEU HB3 1.0 . 3.38 160 154 A 23 VAL H A 23 VAL HG2% 1.0 . 3.63 161 155 A 22 LEU HD2% A 23 VAL H 1.0 . 3.79 162 156 A 23 VAL H A 34 GLN H 1.0 . 4.94 163 157 A 23 VAL H A 22 LEU HA 1.0 . 2.73 164 158 A 23 VAL H A 31 CYS HA 1.0 . 4.30 165 159 A 23 VAL H A 32 LYS H 1.0 . 3.37 166 160 A 14 ASP HA A 24 CYS H 1.0 . 4.83 167 161 A 24 CYS HB2 A 24 CYS H 1.0 . 3.25 168 162 A 16 CYS HB2 A 24 CYS H 1.0 . 4.47 169 163 A 24 CYS H A 24 CYS HB3 1.0 . 3.27 170 164 A 24 CYS H A 23 VAL HG1% 1.0 . 3.47 171 165 A 23 VAL H A 24 CYS H 1.0 . 5.34 172 166 A 25 SER H A 25 SER HB3 1.0 . 3.10 173 167 A 25 SER H A 25 SER HB2 1.0 . 3.03 174 168 A 25 SER H A 24 CYS HB2 1.0 . 4.85 175 169 A 25 SER H A 24 CYS HB3 1.0 . 4.59 176 170 A 25 SER H A 32 LYS HBx 1.0 . 4.49 177 170 A 25 SER H A 32 LYS HBy 1.0 . 4.49 178 171 A 25 SER H A 32 LYS HDx 1.0 . 4.55 179 171 A 25 SER H A 32 LYS HDy 1.0 . 4.55 180 172 A 25 SER H A 23 VAL HG1% 1.0 . 4.54 181 173 A 25 SER H A 30 TRP H 1.0 . 3.93 182 174 A 25 SER H A 31 CYS HA 1.0 . 4.05 183 175 A 25 SER H A 24 CYS H 1.0 . 4.73 184 176 A 25 SER H A 32 LYS H 1.0 . 4.19 185 177 A 25 SER H A 29 ARG H 1.0 . 4.37 186 178 A 25 SER H A 31 CYS H 1.0 . 5.17 187 179 A 25 SER H A 26 ARG H 1.0 . 4.68 188 180 A 25 SER HB3 A 26 ARG H 1.0 . 4.76 189 181 A 26 ARG H A 26 ARG HDx 1.0 . 4.50 190 181 A 26 ARG H A 26 ARG HDy 1.0 . 4.50 191 182 A 26 ARG H A 11 PRO HB3 1.0 . 5.11 192 183 A 26 ARG H A 26 ARG HG3 1.0 . 3.06 193 184 A 26 ARG H A 26 ARG HG2 1.0 . 3.93 194 185 A 25 SER HB3 A 27 LYS H 1.0 . 3.71 195 186 A 27 LYS H A 25 SER HA 1.0 . 4.13 196 187 A 27 LYS H A 26 ARG HB2 1.0 . 4.03 197 188 A 27 LYS H A 27 LYS HB2 1.0 . 3.06 198 189 A 27 LYS H A 27 LYS HB3 1.0 . 3.38 199 190 A 27 LYS H A 28 THR H 1.0 . 3.21 200 191 A 26 ARG H A 27 LYS H 1.0 . 3.30 201 192 A 25 SER HB3 A 28 THR H 1.0 . 3.87 202 193 A 28 THR H A 26 ARG HA 1.0 . 4.79 203 194 A 27 LYS HB3 A 28 THR H 1.0 . 3.34 204 195 A 28 THR H A 27 LYS HGy 1.0 . 5.24 205 196 A 28 THR H A 29 ARG HG3 1.0 . 5.50 206 197 A 28 THR H A 27 LYS HGx 1.0 . 5.24 207 198 A 28 THR H A 28 THR HG2% 1.0 . 3.48 208 199 A 25 SER HB3 A 29 ARG H 1.0 . 3.54 209 200 A 29 ARG H A 29 ARG HA 1.0 . 2.75 210 201 A 29 ARG HB2 A 29 ARG H 1.0 . 4.11 211 202 A 29 ARG H A 29 ARG HG3 1.0 . 3.48 212 203 A 29 ARG H A 29 ARG HG2 1.0 . 3.79 213 204 A 29 ARG H A 28 THR HG2% 1.0 . 4.46 214 205 A 29 ARG H A 29 ARG HDy 1.0 . 5.50 215 206 A 29 ARG H A 29 ARG HDx 1.0 . 5.50 216 207 A 29 ARG H A 28 THR H 1.0 . 2.91 217 208 A 29 ARG H A 26 ARG H 1.0 . 5.02 218 209 A 25 SER HB3 A 30 TRP H 1.0 . 3.63 219 210 A 30 TRP H A 29 ARG HA 1.0 . 3.23 220 211 A 30 TRP HB3 A 30 TRP H 1.0 . 4.17 221 212 A 30 TRP H A 28 THR HG2% 1.0 . 5.10 222 213 A 30 TRP H A 28 THR HB 1.0 . 4.43 223 214 A 29 ARG HB2 A 30 TRP H 1.0 . 4.86 224 215 A 30 TRP H A 29 ARG H 1.0 . 3.34 225 216 A 30 TRP H A 28 THR H 1.0 . 4.42 226 217 A 28 THR HB A 30 TRP HE1 1.0 . 4.39 227 218 A 30 TRP HE1 A 32 LYS HDx 1.0 . 4.78 228 218 A 32 LYS HDy A 30 TRP HE1 1.0 . 4.78 229 219 A 28 THR HG2% A 30 TRP HE1 1.0 . 4.55 230 220 A 30 TRP HE1 A 32 LYS HBx 1.0 . 4.13 231 220 A 32 LYS HBy A 30 TRP HE1 1.0 . 4.13 232 221 A 30 TRP HE1 A 6 PHE HE% 1.0 . 4.33 233 222 A 6 PHE HD% A 30 TRP HE1 1.0 . 4.56 234 223 A 24 CYS HA A 31 CYS H 1.0 . 5.44 235 224 A 31 CYS H A 22 LEU HB3 1.0 . 5.50 236 225 A 31 CYS H A 6 PHE HA 1.0 . 4.20 237 226 A 31 CYS HB2 A 31 CYS H 1.0 . 3.07 238 227 A 30 TRP HB2 A 31 CYS H 1.0 . 3.18 239 228 A 31 CYS HB3 A 31 CYS H 1.0 . 3.85 240 229 A 7 LYS HB3 A 31 CYS H 1.0 . 5.08 241 230 A 31 CYS H A 8 ALA HB% 1.0 . 5.50 242 231 A 31 CYS H A 32 LYS H 1.0 . 4.72 243 232 A 32 LYS H A 23 VAL HA 1.0 . 5.01 244 233 A 31 CYS HB2 A 32 LYS H 1.0 . 4.59 245 234 A 31 CYS HB3 A 32 LYS H 1.0 . 3.93 246 235 A 32 LYS H A 32 LYS HBx 1.0 . 3.39 247 235 A 32 LYS H A 32 LYS HBy 1.0 . 3.39 248 236 A 32 LYS H A 32 LYS HDx 1.0 . 4.50 249 236 A 32 LYS H A 32 LYS HDy 1.0 . 4.50 250 237 A 32 LYS H A 32 LYS HG3 1.0 . 3.68 251 238 A 22 LEU HB3 A 32 LYS H 1.0 . 4.09 252 239 A 22 LEU HD2% A 32 LYS H 1.0 . 4.47 253 240 A 6 PHE H A 32 LYS H 1.0 . 5.47 254 241 A 22 LEU HA A 32 LYS H 1.0 . 4.67 255 242 A 31 CYS HA A 32 LYS H 1.0 . 2.96 256 243 A 33 TRP H A 32 LYS HDx 1.0 . 5.24 257 243 A 32 LYS HDy A 33 TRP H 1.0 . 5.24 258 244 A 32 LYS HG2 A 33 TRP H 1.0 . 4.70 259 245 A 33 TRP H A 5 ILE HD1% 1.0 . 3.72 260 246 A 33 TRP H A 5 ILE HG1x 1.0 . 5.06 261 247 A 33 TRP H A 32 LYS HA 1.0 . 3.21 262 248 A 33 TRP H A 33 TRP HB3 1.0 . 3.14 263 249 A 33 TRP H A 33 TRP HB2 1.0 . 3.03 264 250 A 33 TRP H A 32 LYS HBx 1.0 . 3.04 265 250 A 32 LYS HBy A 33 TRP H 1.0 . 3.04 266 251 A 33 TRP H A 5 ILE HG1y 1.0 . 5.06 267 252 A 22 LEU HD2% A 33 TRP H 1.0 . 3.81 268 253 A 33 TRP H A 33 TRP HE3 1.0 . 5.23 269 254 A 33 TRP H A 33 TRP HD1 1.0 . 5.08 270 255 A 32 LYS H A 33 TRP H 1.0 . 4.72 271 256 A 34 GLN H A 33 TRP H 1.0 . 4.35 272 257 A 21 LYS HB3 A 33 TRP HE1 1.0 . 4.12 273 258 A 21 LYS HB2 A 33 TRP HE1 1.0 . 4.95 274 259 A 33 TRP HE1 A 21 LYS HDx 1.0 . 4.89 275 259 A 21 LYS HDy A 33 TRP HE1 1.0 . 4.89 276 260 A 22 LEU HD1% A 33 TRP HE1 1.0 . 5.50 277 261 A 22 LEU HD2% A 33 TRP HE1 1.0 . 4.76 278 262 A 5 ILE HD1% A 33 TRP HE1 1.0 . 5.10 279 263 A 21 LYS HB3 A 34 GLN H 1.0 . 4.08 280 264 A 34 GLN H A 34 GLN HGx 1.0 . 4.49 281 265 A 34 GLN H A 34 GLN HB2 1.0 . 3.31 282 266 A 23 VAL HG2% A 34 GLN H 1.0 . 5.22 283 267 A 22 LEU HD2% A 34 GLN H 1.0 . 4.05 284 268 A 34 GLN H A 34 GLN HB3 1.0 . 3.44 285 269 A 34 GLN H A 33 TRP HD1 1.0 . 4.42 286 270 A 34 GLN H A 33 TRP HA 1.0 . 3.11 287 271 A 34 GLN H A 22 LEU HA 1.0 . 3.78 288 272 A 34 GLN HB2 A 35 ILE H 1.0 . 4.43 289 273 A 35 ILE H A 35 ILE HB 1.0 . 3.76 290 274 A 35 ILE H A 35 ILE HG1y 1.0 . 4.70 291 275 A 35 ILE H A 35 ILE HG1x 1.0 . 4.70 292 276 A 35 ILE HG2% A 35 ILE H 1.0 . 3.98 293 277 A 34 GLN H A 35 ILE H 1.0 . 4.65 294 278 A 12 SER H A 13 ASN H 1.0 . 2.90 295 279 A 3 LEU HG A 17 CYS H 1.0 . 5.50 296 280 A 17 CYS HA A 19 SER H 1.0 . 5.50 297 281 A 23 VAL H A 32 LYS HDx 1.0 . 4.91 298 281 A 23 VAL H A 32 LYS HDy 1.0 . 4.91 299 282 A 30 TRP HB2 A 30 TRP H 1.0 . 4.21 300 283 A 31 CYS H A 30 TRP H 1.0 . 4.94 301 284 A 6 PHE H A 5 ILE HD1% 1.0 . 3.85 302 285 A 10 ASN H A 9 CYS HB2 1.0 . 3.15 303 286 A 12 SER H A 11 PRO HG2 1.0 . 3.94 304 287 A 21 LYS H A 21 LYS HG2 1.0 . 4.22 305 288 A 21 LYS H A 21 LYS HB2 1.0 . 4.13 306 289 A 29 ARG H A 27 LYS HB3 1.0 . 5.09 307 290 A 25 SER HB2 A 30 TRP H 1.0 . 4.02 308 291 A 32 LYS HG3 A 33 TRP H 1.0 . 4.28 309 292 A 34 GLN H A 34 GLN HGy 1.0 . 4.49 310 293 A 33 TRP HE3 A 33 TRP HA 1.0 . 5.20 311 294 A 5 ILE HD1% A 6 PHE HZ 1.0 . 4.59 312 295 A 6 PHE HD% A 6 PHE HZ 1.0 . 3.93 313 296 A 31 CYS HB3 A 30 TRP HD1 1.0 . 5.50 314 297 A 30 TRP HD1 A 32 LYS HBx 1.0 . 3.66 315 297 A 30 TRP HD1 A 32 LYS HBy 1.0 . 3.66 316 298 A 30 TRP HD1 A 32 LYS HA 1.0 . 4.10 317 299 A 30 TRP HD1 A 6 PHE HD% 1.0 . 4.18 318 300 A 30 TRP HD1 A 31 CYS H 1.0 . 4.77 319 301 A 28 THR HG2% A 30 TRP HH2 1.0 . 4.58 320 302 A 28 THR HG2% A 30 TRP HZ2 1.0 . 3.89 321 303 A 33 TRP HB2 A 33 TRP HD1 1.0 . 3.85 322 304 A 21 LYS HB3 A 33 TRP HD1 1.0 . 3.65 323 305 A 22 LEU HD2% A 33 TRP HD1 1.0 . 4.04 324 306 A 33 TRP HD1 A 33 TRP HA 1.0 . 3.78 325 307 A 33 TRP HB3 A 33 TRP HE3 1.0 . 3.89 326 308 A 33 TRP HB2 A 33 TRP HE3 1.0 . 4.01 327 309 A 30 TRP HD1 A 32 LYS HG2 1.0 . 5.17 328 310 A 30 TRP HD1 A 30 TRP HA 1.0 . 4.60 329 311 A 35 ILE HA A 35 ILE HD1% 1.0 . 4.76 330 312 A 2 CYS HA A 1 GLY HAx 1.0 . 4.36 331 312 A 1 GLY HAy A 2 CYS HA 1.0 . 4.36 332 313 A 2 CYS HB3 A 2 CYS HA 1.0 . 2.93 333 314 A 2 CYS HB2 A 2 CYS HA 1.0 . 2.95 334 315 A 15 GLN HB3 A 2 CYS HA 1.0 . 3.63 335 316 A 15 GLN HB2 A 2 CYS HA 1.0 . 4.71 336 317 A 3 LEU HG A 2 CYS HA 1.0 . 4.00 337 318 A 3 LEU H A 2 CYS HA 1.0 . 2.85 338 319 A 2 CYS HB2 A 17 CYS H 1.0 . 4.74 339 320 A 17 CYS HA A 2 CYS HB3 1.0 . 3.37 340 321 A 17 CYS H A 2 CYS HB3 1.0 . 4.76 341 322 A 3 LEU H A 2 CYS HB3 1.0 . 3.69 342 323 A 3 LEU HB3 A 3 LEU HA 1.0 . 2.99 343 324 A 4 GLY HA3 A 3 LEU HA 1.0 . 4.48 344 325 A 3 LEU HD2% A 3 LEU HA 1.0 . 2.76 345 326 A 4 GLY H A 3 LEU HA 1.0 . 2.61 346 327 A 3 LEU HB3 A 4 GLY H 1.0 . 4.25 347 328 A 3 LEU HB2 A 16 CYS HB2 1.0 . 5.04 348 329 A 3 LEU HB2 A 7 LYS HB2 1.0 . 4.35 349 330 A 3 LEU HB2 A 17 CYS H 1.0 . 4.38 350 331 A 3 LEU HB3 A 3 LEU HD2% 1.0 . 3.39 351 332 A 3 LEU HD2% A 7 LYS HB2 1.0 . 4.09 352 333 A 3 LEU HB2 A 3 LEU HD2% 1.0 . 3.57 353 334 A 3 LEU HD2% A 7 LYS HB3 1.0 . 3.89 354 335 A 3 LEU HB2 A 3 LEU HD1% 1.0 . 3.26 355 336 A 3 LEU HD1% A 15 GLN HB2 1.0 . 3.72 356 337 A 3 LEU HD1% A 7 LYS HB2 1.0 . 4.82 357 338 A 3 LEU HB3 A 3 LEU HD1% 1.0 . 3.60 358 339 A 3 LEU HD1% A 9 CYS HA 1.0 . 4.20 359 340 A 15 GLN HB3 A 3 LEU HG 1.0 . 4.49 360 341 A 7 LYS HG3 A 4 GLY HA3 1.0 . 4.63 361 342 A 7 LYS HG2 A 4 GLY HA3 1.0 . 4.80 362 343 A 4 GLY HA2 A 22 LEU HD1% 1.0 . 3.32 363 344 A 31 CYS HB3 A 5 ILE HA 1.0 . 3.57 364 345 A 5 ILE HB A 5 ILE HA 1.0 . 2.84 365 346 A 22 LEU HD1% A 5 ILE HA 1.0 . 3.19 366 347 A 5 ILE HA A 5 ILE HG1y 1.0 . 3.52 367 348 A 22 LEU HD2% A 5 ILE HA 1.0 . 3.48 368 349 A 5 ILE HD1% A 5 ILE HA 1.0 . 3.76 369 350 A 5 ILE HA A 5 ILE HG1x 1.0 . 3.52 370 351 A 4 GLY HA2 A 5 ILE HA 1.0 . 4.46 371 352 A 4 GLY HA3 A 5 ILE HA 1.0 . 4.73 372 353 A 32 LYS HA A 5 ILE HA 1.0 . 5.09 373 354 A 6 PHE HA A 5 ILE HA 1.0 . 4.54 374 355 A 6 PHE HD% A 5 ILE HA 1.0 . 5.19 375 356 A 7 LYS H A 5 ILE HA 1.0 . 4.01 376 357 A 6 PHE H A 5 ILE HA 1.0 . 2.59 377 358 A 5 ILE HB A 22 LEU HD2% 1.0 . 3.40 378 359 A 4 GLY HA3 A 5 ILE HB 1.0 . 5.13 379 360 A 4 GLY HA2 A 5 ILE HB 1.0 . 4.79 380 361 A 5 ILE HB A 31 CYS HB3 1.0 . 5.17 381 362 A 5 ILE HB A 6 PHE H 1.0 . 4.14 382 363 A 5 ILE HB A 22 LEU HD1% 1.0 . 3.67 383 364 A 5 ILE HD1% A 32 LYS HA 1.0 . 4.10 384 365 A 5 ILE HD1% A 33 TRP HB2 1.0 . 3.93 385 366 A 5 ILE HD1% A 32 LYS HBx 1.0 . 5.34 386 366 A 32 LYS HBy A 5 ILE HD1% 1.0 . 5.34 387 367 A 5 ILE HB A 5 ILE HD1% 1.0 . 3.31 388 368 A 6 PHE HE% A 5 ILE HD1% 1.0 . 4.01 389 369 A 6 PHE HD% A 5 ILE HD1% 1.0 . 5.01 390 370 A 6 PHE HE% A 5 ILE HG1x 1.0 . 5.43 391 371 A 6 PHE HE% A 5 ILE HG1y 1.0 . 5.43 392 372 A 5 ILE HG2% A 22 LEU HD2% 1.0 . 3.93 393 373 A 5 ILE HG2% A 5 ILE HD1% 1.0 . 3.06 394 374 A 5 ILE HG2% A 4 GLY HA2 1.0 . 4.54 395 375 A 5 ILE HG2% A 4 GLY HA3 1.0 . 4.69 396 376 A 5 ILE HG2% A 5 ILE HA 1.0 . 3.83 397 377 A 5 ILE HG2% A 6 PHE HE% 1.0 . 4.30 398 378 A 5 ILE HG2% A 6 PHE HD% 1.0 . 3.73 399 379 A 30 TRP HB2 A 6 PHE HA 1.0 . 3.42 400 380 A 31 CYS HB3 A 6 PHE HA 1.0 . 5.50 401 381 A 6 PHE HA A 5 ILE HG1y 1.0 . 4.55 402 382 A 6 PHE HA A 5 ILE HG1x 1.0 . 4.55 403 383 A 6 PHE HA A 5 ILE HD1% 1.0 . 5.12 404 384 A 6 PHE H A 6 PHE HA 1.0 . 2.68 405 385 A 6 PHE HE% A 6 PHE HA 1.0 . 4.63 406 386 A 30 TRP HD1 A 6 PHE HA 1.0 . 3.69 407 387 A 6 PHE HD% A 6 PHE HA 1.0 . 3.08 408 388 A 6 PHE HA A 30 TRP HA 1.0 . 5.25 409 389 A 5 ILE HG2% A 6 PHE HA 1.0 . 4.95 410 390 A 2 CYS HB2 A 3 LEU HA 1.0 . 4.70 411 391 A 7 LYS HG2 A 7 LYS HA 1.0 . 3.44 412 392 A 8 ALA H A 7 LYS HA 1.0 . 2.53 413 393 A 3 LEU HB3 A 7 LYS HB3 1.0 . 3.81 414 394 A 3 LEU HD1% A 7 LYS HB3 1.0 . 4.72 415 395 A 7 LYS HB3 A 7 LYS HEx 1.0 . 5.24 416 396 A 3 LEU HB3 A 7 LYS HB2 1.0 . 3.57 417 397 A 7 LYS HB2 A 7 LYS HEx 1.0 . 5.50 418 398 A 7 LYS HB2 A 9 CYS HB3 1.0 . 5.50 419 399 A 7 LYS HB2 A 31 CYS HB2 1.0 . 4.68 420 400 A 7 LYS HB2 A 31 CYS HB3 1.0 . 4.87 421 401 A 23 VAL HG1% A 21 LYS HEx 1.0 . 5.08 422 401 A 23 VAL HG1% A 21 LYS HEy 1.0 . 5.08 423 402 A 21 LYS HG3 A 21 LYS HEx 1.0 . 3.94 424 402 A 21 LYS HEy A 21 LYS HG3 1.0 . 3.94 425 403 A 3 LEU HD2% A 7 LYS HG3 1.0 . 4.59 426 404 A 7 LYS HG3 A 3 LEU HA 1.0 . 4.56 427 405 A 7 LYS HG3 A 7 LYS H 1.0 . 4.38 428 406 A 8 ALA HB% A 7 LYS HA 1.0 . 4.27 429 407 A 3 LEU HB2 A 9 CYS HB3 1.0 . 5.24 430 408 A 7 LYS HB3 A 9 CYS HB3 1.0 . 5.50 431 409 A 3 LEU HD1% A 9 CYS HB3 1.0 . 3.54 432 410 A 9 CYS HB3 A 14 ASP HA 1.0 . 5.20 433 411 A 9 CYS HB3 A 10 ASN H 1.0 . 3.63 434 412 A 31 CYS H A 9 CYS HB3 1.0 . 5.12 435 413 A 9 CYS HB3 A 15 GLN H 1.0 . 4.83 436 414 A 3 LEU HD1% A 9 CYS HB2 1.0 . 3.49 437 415 A 11 PRO HD3 A 10 ASN HA 1.0 . 2.57 438 416 A 10 ASN HA A 29 ARG HDy 1.0 . 5.50 439 417 A 10 ASN HA A 29 ARG HDx 1.0 . 5.50 440 418 A 11 PRO HG3 A 10 ASN HA 1.0 . 4.36 441 419 A 10 ASN HA A 29 ARG HG2 1.0 . 4.61 442 420 A 29 ARG HB3 A 10 ASN HA 1.0 . 4.78 443 421 A 10 ASN HA A 11 PRO HG2 1.0 . 4.43 444 422 A 10 ASN HD21 A 10 ASN HA 1.0 . 4.74 445 423 A 10 ASN H A 10 ASN HBy 1.0 . 3.80 446 424 A 11 PRO HA A 26 ARG HG2 1.0 . 5.29 447 425 A 11 PRO HA A 24 CYS HB2 1.0 . 4.17 448 426 A 14 ASP HB2 A 11 PRO HA 1.0 . 4.21 449 427 A 11 PRO HA A 24 CYS HB3 1.0 . 2.81 450 428 A 11 PRO HA A 24 CYS H 1.0 . 4.79 451 429 A 13 ASN H A 11 PRO HA 1.0 . 4.20 452 430 A 10 ASN HA A 11 PRO HA 1.0 . 4.62 453 431 A 11 PRO HB2 A 26 ARG HDx 1.0 . 4.91 454 431 A 11 PRO HB2 A 26 ARG HDy 1.0 . 4.91 455 432 A 11 PRO HB2 A 24 CYS HB3 1.0 . 5.05 456 433 A 24 CYS HB3 A 11 PRO HB3 1.0 . 4.56 457 434 A 11 PRO HB3 A 26 ARG HDx 1.0 . 4.55 458 434 A 26 ARG HDy A 11 PRO HB3 1.0 . 4.55 459 435 A 11 PRO HD3 A 29 ARG HG3 1.0 . 4.92 460 436 A 29 ARG HB3 A 11 PRO HD3 1.0 . 5.09 461 437 A 11 PRO HD3 A 29 ARG HG2 1.0 . 3.94 462 438 A 11 PRO HD3 A 12 SER H 1.0 . 4.58 463 439 A 11 PRO HD2 A 29 ARG HG3 1.0 . 5.50 464 440 A 29 ARG HB3 A 11 PRO HD2 1.0 . 5.50 465 441 A 10 ASN HA A 11 PRO HD2 1.0 . 3.01 466 442 A 11 PRO HG3 A 29 ARG HG2 1.0 . 4.61 467 443 A 11 PRO HG3 A 26 ARG HDx 1.0 . 4.77 468 443 A 11 PRO HG3 A 26 ARG HDy 1.0 . 4.77 469 444 A 29 ARG HG2 A 11 PRO HG2 1.0 . 5.17 470 445 A 11 PRO HG2 A 26 ARG HDx 1.0 . 5.10 471 445 A 26 ARG HDy A 11 PRO HG2 1.0 . 5.10 472 446 A 11 PRO HB2 A 12 SER HA 1.0 . 4.69 473 447 A 12 SER H A 12 SER HBy 1.0 . 3.89 474 448 A 14 ASP HB3 A 13 ASN HA 1.0 . 4.83 475 449 A 13 ASN HB2 A 10 ASN HD22 1.0 . 5.21 476 450 A 10 ASN HD21 A 13 ASN HB2 1.0 . 4.33 477 451 A 13 ASN HB3 A 10 ASN HD22 1.0 . 5.50 478 452 A 14 ASP HA A 15 GLN HB2 1.0 . 4.42 479 453 A 14 ASP HA A 24 CYS HB2 1.0 . 3.85 480 454 A 13 ASN HB3 A 14 ASP HA 1.0 . 5.19 481 455 A 3 LEU HD1% A 14 ASP HA 1.0 . 4.75 482 456 A 14 ASP HA A 13 ASN HA 1.0 . 5.50 483 457 A 14 ASP HA A 15 GLN HA 1.0 . 5.50 484 458 A 14 ASP HA A 16 CYS H 1.0 . 3.94 485 459 A 14 ASP HA A 15 GLN H 1.0 . 2.71 486 460 A 14 ASP HB3 A 11 PRO HA 1.0 . 4.21 487 461 A 14 ASP HB3 A 24 CYS HB2 1.0 . 4.67 488 462 A 14 ASP HB3 A 24 CYS H 1.0 . 5.09 489 463 A 15 GLN HA A 15 GLN HGx 1.0 . 3.85 490 464 A 15 GLN HB3 A 3 LEU HD1% 1.0 . 4.12 491 465 A 15 GLN HB3 A 3 LEU HD2% 1.0 . 5.31 492 466 A 3 LEU HD1% A 15 GLN HGx 1.0 . 5.31 493 467 A 3 LEU HD1% A 15 GLN HGy 1.0 . 5.31 494 468 A 15 GLN HA A 15 GLN HGy 1.0 . 3.85 495 469 A 3 LEU HB2 A 16 CYS HA 1.0 . 3.18 496 470 A 3 LEU HB3 A 16 CYS HA 1.0 . 3.94 497 471 A 3 LEU HD1% A 16 CYS HA 1.0 . 4.70 498 472 A 16 CYS HA A 22 LEU HD1% 1.0 . 4.79 499 473 A 3 LEU HG A 16 CYS HA 1.0 . 4.59 500 474 A 2 CYS HB2 A 16 CYS HA 1.0 . 4.87 501 475 A 3 LEU HB3 A 16 CYS HB3 1.0 . 5.50 502 476 A 16 CYS HB3 A 22 LEU HG 1.0 . 5.50 503 477 A 16 CYS HB3 A 22 LEU HB2 1.0 . 3.32 504 478 A 16 CYS HB3 A 22 LEU HB3 1.0 . 3.31 505 479 A 3 LEU HD1% A 16 CYS HB3 1.0 . 5.23 506 480 A 31 CYS HB2 A 16 CYS HB3 1.0 . 4.59 507 481 A 16 CYS HB3 A 23 VAL HA 1.0 . 4.21 508 482 A 17 CYS HA A 16 CYS HB3 1.0 . 5.37 509 483 A 3 LEU H A 16 CYS HB3 1.0 . 5.30 510 484 A 16 CYS HB3 A 24 CYS H 1.0 . 5.16 511 485 A 16 CYS HB2 A 22 LEU HB2 1.0 . 3.76 512 486 A 16 CYS HB2 A 22 LEU HB3 1.0 . 3.66 513 487 A 17 CYS HA A 2 CYS HB2 1.0 . 2.96 514 488 A 17 CYS HA A 18 LYS HBx 1.0 . 4.85 515 488 A 17 CYS HA A 18 LYS HBy 1.0 . 4.85 516 489 A 17 CYS HA A 18 LYS HG2 1.0 . 4.49 517 490 A 17 CYS HA A 22 LEU HD1% 1.0 . 5.02 518 491 A 17 CYS HB2 A 18 LYS H 1.0 . 4.56 519 492 A 18 LYS HA A 18 LYS HBx 1.0 . 2.71 520 492 A 18 LYS HBy A 18 LYS HA 1.0 . 2.71 521 493 A 18 LYS HA A 18 LYS HDx 1.0 . 3.09 522 493 A 18 LYS HA A 18 LYS HDy 1.0 . 3.09 523 494 A 18 LYS HA A 18 LYS HG3 1.0 . 3.89 524 495 A 18 LYS HA A 18 LYS HEx 1.0 . 4.77 525 495 A 18 LYS HA A 18 LYS HEy 1.0 . 4.77 526 496 A 20 SER H A 18 LYS HA 1.0 . 4.25 527 497 A 18 LYS HA A 22 LEU H 1.0 . 3.36 528 498 A 18 LYS H A 18 LYS HG3 1.0 . 4.10 529 499 A 21 LYS H A 19 SER HA 1.0 . 4.02 530 500 A 19 SER HA A 18 LYS HBx 1.0 . 4.12 531 500 A 18 LYS HBy A 19 SER HA 1.0 . 4.12 532 501 A 21 LYS HA A 21 LYS HG3 1.0 . 3.66 533 502 A 21 LYS HA A 21 LYS HB2 1.0 . 2.86 534 503 A 21 LYS HA A 21 LYS HDx 1.0 . 3.66 535 503 A 21 LYS HA A 21 LYS HDy 1.0 . 3.66 536 504 A 21 LYS HA A 21 LYS HG2 1.0 . 3.08 537 505 A 21 LYS HA A 23 VAL HG2% 1.0 . 4.86 538 506 A 22 LEU HD2% A 21 LYS HA 1.0 . 5.50 539 507 A 21 LYS HA A 18 LYS HA 1.0 . 3.59 540 508 A 21 LYS HA A 21 LYS H 1.0 . 2.65 541 509 A 21 LYS HA A 22 LEU H 1.0 . 3.19 542 510 A 21 LYS HB2 A 34 GLN H 1.0 . 5.31 543 511 A 21 LYS HB2 A 33 TRP HD1 1.0 . 4.77 544 512 A 23 VAL HG2% A 21 LYS HDx 1.0 . 5.01 545 512 A 21 LYS HDy A 23 VAL HG2% 1.0 . 5.01 546 513 A 21 LYS H A 21 LYS HG3 1.0 . 4.98 547 514 A 21 LYS HB3 A 22 LEU HA 1.0 . 4.70 548 515 A 22 LEU HA A 21 LYS HEx 1.0 . 4.91 549 515 A 22 LEU HA A 21 LYS HEy 1.0 . 4.91 550 516 A 16 CYS HB3 A 22 LEU HA 1.0 . 4.80 551 517 A 22 LEU HG A 22 LEU HA 1.0 . 3.66 552 518 A 22 LEU HB3 A 22 LEU HA 1.0 . 2.99 553 519 A 22 LEU HD2% A 22 LEU HA 1.0 . 2.89 554 520 A 21 LYS HA A 22 LEU HA 1.0 . 5.25 555 521 A 22 LEU HA A 34 GLN HB2 1.0 . 4.51 556 522 A 22 LEU HA A 33 TRP HA 1.0 . 3.55 557 523 A 22 LEU HA A 33 TRP H 1.0 . 5.30 558 524 A 22 LEU HA A 33 TRP HD1 1.0 . 4.99 559 525 A 22 LEU HB3 A 23 VAL HA 1.0 . 5.25 560 526 A 22 LEU HB3 A 5 ILE HA 1.0 . 4.63 561 527 A 22 LEU HB3 A 31 CYS HA 1.0 . 4.99 562 528 A 22 LEU HB2 A 5 ILE HA 1.0 . 5.20 563 529 A 22 LEU HB2 A 18 LYS HA 1.0 . 5.14 564 530 A 22 LEU HB2 A 23 VAL HA 1.0 . 5.50 565 531 A 22 LEU HB2 A 23 VAL H 1.0 . 4.52 566 532 A 22 LEU HD2% A 20 SER HBx 1.0 . 4.46 567 533 A 22 LEU HD2% A 16 CYS HB2 1.0 . 5.49 568 534 A 22 LEU HD2% A 31 CYS HB3 1.0 . 4.04 569 535 A 22 LEU HD2% A 32 LYS HBx 1.0 . 5.00 570 535 A 22 LEU HD2% A 32 LYS HBy 1.0 . 5.00 571 536 A 22 LEU HD2% A 32 LYS HA 1.0 . 3.95 572 537 A 22 LEU HD2% A 20 SER HBy 1.0 . 4.46 573 538 A 22 LEU HD2% A 33 TRP HB2 1.0 . 3.95 574 539 A 22 LEU HD2% A 22 LEU HB2 1.0 . 3.74 575 540 A 22 LEU HD2% A 22 LEU HB3 1.0 . 3.03 576 541 A 22 LEU HD2% A 33 TRP HE3 1.0 . 4.39 577 542 A 22 LEU HD2% A 33 TRP HA 1.0 . 3.39 578 543 A 22 LEU HD1% A 20 SER HBx 1.0 . 3.75 579 544 A 22 LEU HD1% A 31 CYS HB3 1.0 . 3.88 580 545 A 22 LEU HD1% A 22 LEU HB2 1.0 . 3.51 581 546 A 22 LEU HD1% A 6 PHE H 1.0 . 5.23 582 547 A 22 LEU HD1% A 31 CYS HA 1.0 . 5.50 583 548 A 22 LEU HD1% A 22 LEU HA 1.0 . 4.94 584 549 A 17 CYS HB2 A 22 LEU HG 1.0 . 5.06 585 550 A 22 LEU HG A 20 SER HBy 1.0 . 3.96 586 551 A 22 LEU HG A 20 SER HBx 1.0 . 3.96 587 552 A 24 CYS HB2 A 23 VAL HA 1.0 . 4.47 588 553 A 16 CYS HB2 A 23 VAL HA 1.0 . 3.35 589 554 A 23 VAL HG1% A 23 VAL HA 1.0 . 3.00 590 555 A 16 CYS H A 23 VAL HA 1.0 . 4.80 591 556 A 24 CYS H A 23 VAL HA 1.0 . 2.66 592 557 A 23 VAL HB A 22 LEU HA 1.0 . 4.91 593 558 A 23 VAL HB A 24 CYS H 1.0 . 4.07 594 559 A 23 VAL HG2% A 23 VAL HA 1.0 . 3.82 595 560 A 23 VAL HG2% A 24 CYS H 1.0 . 4.36 596 561 A 23 VAL HG2% A 31 CYS HA 1.0 . 5.50 597 562 A 23 VAL HG1% A 32 LYS HEx 1.0 . 4.58 598 562 A 23 VAL HG1% A 32 LYS HEy 1.0 . 4.58 599 563 A 23 VAL HG1% A 32 LYS HDx 1.0 . 4.69 600 563 A 23 VAL HG1% A 32 LYS HDy 1.0 . 4.69 601 564 A 23 VAL H A 23 VAL HG1% 1.0 . 4.06 602 565 A 24 CYS HA A 25 SER HB2 1.0 . 4.49 603 566 A 24 CYS HA A 25 SER HB3 1.0 . 5.27 604 567 A 24 CYS HA A 23 VAL HB 1.0 . 5.45 605 568 A 24 CYS HA A 23 VAL HG1% 1.0 . 4.70 606 569 A 24 CYS HA A 23 VAL HA 1.0 . 4.73 607 570 A 24 CYS HA A 25 SER HA 1.0 . 5.11 608 571 A 24 CYS HA A 32 LYS H 1.0 . 4.03 609 572 A 24 CYS HA A 31 CYS HA 1.0 . 3.14 610 573 A 11 PRO HG3 A 24 CYS HB3 1.0 . 5.50 611 574 A 14 ASP HA A 24 CYS HB3 1.0 . 4.95 612 575 A 24 CYS HB2 A 16 CYS HB2 1.0 . 4.97 613 576 A 3 LEU HB2 A 24 CYS HB2 1.0 . 5.50 614 577 A 24 CYS HB2 A 31 CYS HA 1.0 . 5.01 615 578 A 25 SER HB2 A 25 SER HA 1.0 . 3.00 616 579 A 25 SER HA A 32 LYS HEx 1.0 . 4.92 617 579 A 25 SER HA A 32 LYS HEy 1.0 . 4.92 618 580 A 26 ARG HG3 A 25 SER HA 1.0 . 3.92 619 581 A 25 SER HA A 26 ARG HB2 1.0 . 5.21 620 582 A 26 ARG H A 25 SER HA 1.0 . 2.73 621 583 A 25 SER HA A 28 THR H 1.0 . 5.16 622 584 A 25 SER HB2 A 32 LYS HDx 1.0 . 3.72 623 584 A 25 SER HB2 A 32 LYS HDy 1.0 . 3.72 624 585 A 25 SER HB2 A 32 LYS HBx 1.0 . 4.24 625 585 A 25 SER HB2 A 32 LYS HBy 1.0 . 4.24 626 586 A 25 SER HB3 A 32 LYS HDx 1.0 . 4.47 627 586 A 25 SER HB3 A 32 LYS HDy 1.0 . 4.47 628 587 A 26 ARG HA A 29 ARG HG3 1.0 . 4.34 629 588 A 26 ARG HG2 A 26 ARG HA 1.0 . 3.37 630 589 A 11 PRO HB3 A 26 ARG HA 1.0 . 3.04 631 590 A 11 PRO HG3 A 26 ARG HA 1.0 . 2.88 632 591 A 26 ARG HA A 29 ARG HG2 1.0 . 4.41 633 592 A 26 ARG HA A 27 LYS HA 1.0 . 4.75 634 593 A 29 ARG H A 26 ARG HA 1.0 . 4.60 635 594 A 26 ARG H A 26 ARG HB3 1.0 . 4.20 636 595 A 26 ARG HB2 A 26 ARG HDx 1.0 . 3.80 637 595 A 26 ARG HDy A 26 ARG HB2 1.0 . 3.80 638 596 A 26 ARG H A 26 ARG HB2 1.0 . 4.03 639 597 A 26 ARG HB3 A 26 ARG HDx 1.0 . 3.56 640 597 A 26 ARG HDy A 26 ARG HB3 1.0 . 3.56 641 598 A 26 ARG HA A 26 ARG HDx 1.0 . 4.20 642 598 A 26 ARG HDy A 26 ARG HA 1.0 . 4.20 643 599 A 26 ARG HG3 A 26 ARG HA 1.0 . 4.13 644 600 A 11 PRO HB3 A 26 ARG HG2 1.0 . 4.42 645 601 A 27 LYS HB2 A 27 LYS HA 1.0 . 2.75 646 602 A 27 LYS HA A 27 LYS HGy 1.0 . 3.83 647 603 A 27 LYS HA A 27 LYS HGx 1.0 . 3.83 648 604 A 26 ARG HB2 A 27 LYS HA 1.0 . 4.71 649 605 A 27 LYS HB2 A 28 THR HG2% 1.0 . 4.42 650 606 A 27 LYS HB2 A 28 THR H 1.0 . 4.18 651 607 A 28 THR HB A 28 THR HA 1.0 . 2.74 652 608 A 27 LYS HB3 A 28 THR HA 1.0 . 4.44 653 609 A 28 THR HG2% A 28 THR HA 1.0 . 2.73 654 610 A 30 TRP H A 28 THR HA 1.0 . 4.82 655 611 A 27 LYS HB3 A 28 THR HB 1.0 . 5.47 656 612 A 28 THR HB A 30 TRP HE3 1.0 . 4.44 657 613 A 28 THR HB A 30 TRP HZ2 1.0 . 4.74 658 614 A 30 TRP HD1 A 28 THR HB 1.0 . 5.00 659 615 A 29 ARG H A 28 THR HB 1.0 . 4.81 660 616 A 27 LYS HB3 A 28 THR HG2% 1.0 . 3.48 661 617 A 29 ARG HA A 29 ARG HDy 1.0 . 5.47 662 618 A 29 ARG HA A 29 ARG HDx 1.0 . 5.47 663 619 A 29 ARG HB3 A 29 ARG HA 1.0 . 2.96 664 620 A 11 PRO HG3 A 29 ARG HA 1.0 . 4.64 665 621 A 29 ARG HG3 A 29 ARG HA 1.0 . 3.43 666 622 A 29 ARG HA A 29 ARG HG2 1.0 . 3.12 667 623 A 8 ALA HA A 29 ARG HA 1.0 . 5.50 668 624 A 28 THR H A 29 ARG HA 1.0 . 4.74 669 625 A 9 CYS H A 29 ARG HA 1.0 . 4.50 670 626 A 29 ARG HB2 A 29 ARG HDy 1.0 . 4.03 671 627 A 29 ARG HB2 A 29 ARG HDx 1.0 . 4.03 672 628 A 11 PRO HD2 A 29 ARG HG2 1.0 . 3.99 673 629 A 29 ARG HG3 A 28 THR HA 1.0 . 4.78 674 630 A 29 ARG HA A 30 TRP HA 1.0 . 4.58 675 631 A 9 CYS HB3 A 30 TRP HA 1.0 . 4.83 676 632 A 30 TRP HB3 A 30 TRP HA 1.0 . 2.79 677 633 A 30 TRP HB2 A 30 TRP HA 1.0 . 2.82 678 634 A 8 ALA HB% A 30 TRP HA 1.0 . 4.63 679 635 A 8 ALA HA A 30 TRP HA 1.0 . 2.88 680 636 A 9 CYS H A 30 TRP HA 1.0 . 3.27 681 637 A 30 TRP HA A 30 TRP HE3 1.0 . 4.92 682 638 A 31 CYS H A 30 TRP HA 1.0 . 2.78 683 639 A 30 TRP HB2 A 8 ALA H 1.0 . 5.15 684 640 A 30 TRP HB2 A 8 ALA HA 1.0 . 4.26 685 641 A 30 TRP HB3 A 8 ALA HB% 1.0 . 4.89 686 642 A 30 TRP HB3 A 6 PHE HA 1.0 . 4.75 687 643 A 30 TRP HB3 A 8 ALA HA 1.0 . 3.90 688 644 A 31 CYS H A 30 TRP HB3 1.0 . 4.16 689 645 A 30 TRP HB3 A 30 TRP HE3 1.0 . 3.67 690 646 A 31 CYS HB3 A 22 LEU HG 1.0 . 5.11 691 647 A 31 CYS HB3 A 22 LEU HB3 1.0 . 3.16 692 648 A 31 CYS HB2 A 22 LEU HB3 1.0 . 3.68 693 649 A 22 LEU HD2% A 31 CYS HB2 1.0 . 4.75 694 650 A 3 LEU HB2 A 31 CYS HB2 1.0 . 5.04 695 651 A 31 CYS HB2 A 22 LEU HB2 1.0 . 5.48 696 652 A 32 LYS HBy A 32 LYS HDx 1.0 . 3.61 697 652 A 32 LYS HBx A 32 LYS HDx 1.0 . 3.61 698 652 A 32 LYS HDy A 32 LYS HBx 1.0 . 3.61 699 652 A 32 LYS HBy A 32 LYS HDy 1.0 . 3.61 700 653 A 33 TRP HB2 A 32 LYS HBx 1.0 . 4.99 701 653 A 32 LYS HBy A 33 TRP HB2 1.0 . 4.99 702 654 A 34 GLN H A 33 TRP HB2 1.0 . 4.70 703 655 A 22 LEU HD2% A 33 TRP HB3 1.0 . 4.68 704 656 A 5 ILE HD1% A 33 TRP HB3 1.0 . 4.79 705 657 A 34 GLN H A 33 TRP HB3 1.0 . 4.21 706 658 A 34 GLN HA A 34 GLN HGx 1.0 . 4.12 707 659 A 35 ILE HG2% A 34 GLN HA 1.0 . 3.95 708 660 A 35 ILE H A 34 GLN HA 1.0 . 2.69 709 661 A 35 ILE HG2% A 34 GLN HB3 1.0 . 4.95 710 662 A 34 GLN HB3 A 35 ILE H 1.0 . 4.80 711 663 A 23 VAL HG2% A 34 GLN HB2 1.0 . 4.09 712 664 A 34 GLN HA A 34 GLN HGy 1.0 . 4.12 713 665 A 35 ILE HG2% A 35 ILE HA 1.0 . 3.67 714 666 A 32 LYS HBy A 32 LYS HEx 1.0 . 3.62 715 666 A 32 LYS HBx A 32 LYS HEx 1.0 . 3.62 716 666 A 32 LYS HEy A 32 LYS HBx 1.0 . 3.62 717 666 A 32 LYS HBy A 32 LYS HEy 1.0 . 3.62 718 667 A 32 LYS HG2 A 32 LYS HEx 1.0 . 3.60 719 667 A 32 LYS HG2 A 32 LYS HEy 1.0 . 3.60 720 668 A 32 LYS HG2 A 23 VAL HG2% 1.0 . 4.90 721 669 A 32 LYS HG2 A 25 SER HB2 1.0 . 5.02 722 670 A 32 LYS HG2 A 32 LYS H 1.0 . 4.54 723 671 A 32 LYS HG3 A 32 LYS HEx 1.0 . 4.18 724 671 A 32 LYS HG3 A 32 LYS HEy 1.0 . 4.18 725 672 A 7 LYS HB3 A 7 LYS HA 1.0 . 2.84 726 673 A 4 GLY HA2 A 3 LEU HA 1.0 . 4.53 727 674 A 3 LEU HB2 A 16 CYS HB3 1.0 . 4.85 728 675 A 3 LEU HD2% A 9 CYS HB3 1.0 . 4.58 729 676 A 6 PHE HA A 7 LYS HA 1.0 . 4.71 730 677 A 14 ASP HA A 11 PRO HA 1.0 . 4.42 731 678 A 22 LEU HD1% A 17 CYS HB3 1.0 . 3.51 732 679 A 17 CYS H A 17 CYS HB3 1.0 . 3.78 733 680 A 22 LEU HD2% A 21 LYS HB3 1.0 . 5.11 734 681 A 22 LEU HA A 23 VAL HA 1.0 . 4.56 735 682 A 23 VAL HB A 32 LYS HEx 1.0 . 5.02 736 682 A 23 VAL HB A 32 LYS HEy 1.0 . 5.02 737 683 A 23 VAL HB A 31 CYS HA 1.0 . 5.36 738 684 A 25 SER HB2 A 26 ARG H 1.0 . 5.05 739 685 A 25 SER HB2 A 29 ARG H 1.0 . 4.99 740 686 A 25 SER HB2 A 32 LYS HG3 1.0 . 4.93 741 687 A 25 SER HB3 A 29 ARG HA 1.0 . 4.71 742 688 A 3 LEU HB3 A 17 CYS H 1.0 . 5.50 743 689 A 3 LEU HD2% A 7 LYS HG2 1.0 . 5.50 744 690 A 3 LEU HD1% A 3 LEU HA 1.0 . 4.25 745 691 A 4 GLY HA2 A 17 CYS HB3 1.0 . 4.98 746 692 A 2 CYS HB3 A 17 CYS HB3 1.0 . 5.02 747 693 A 3 LEU HG A 3 LEU HA 1.0 . 3.22 748 694 A 4 GLY H A 4 GLY HA3 1.0 . 2.94 749 695 A 7 LYS HG2 A 4 GLY HA2 1.0 . 5.50 750 696 A 22 LEU HD2% A 5 ILE HD1% 1.0 . 3.02 751 697 A 5 ILE H A 5 ILE HD1% 1.0 . 4.48 752 698 A 31 CYS HB2 A 6 PHE HA 1.0 . 4.30 753 699 A 7 LYS HG3 A 7 LYS HA 1.0 . 3.81 754 700 A 22 LEU HG A 17 CYS HB3 1.0 . 5.50 755 701 A 22 LEU HB2 A 17 CYS HB3 1.0 . 5.10 756 702 A 17 CYS HB2 A 2 CYS HB3 1.0 . 5.38 757 703 A 22 LEU HD1% A 21 LYS HEx 1.0 . 5.50 758 703 A 22 LEU HD1% A 21 LYS HEy 1.0 . 5.50 759 704 A 8 ALA H A 7 LYS HDy 1.0 . 4.90 760 705 A 8 ALA H A 7 LYS HDx 1.0 . 4.90 761 706 A 21 LYS HB2 A 21 LYS HEx 1.0 . 4.60 762 706 A 21 LYS HB2 A 21 LYS HEy 1.0 . 4.60 763 707 A 7 LYS HB2 A 7 LYS HEy 1.0 . 5.50 764 708 A 7 LYS HB3 A 7 LYS HEy 1.0 . 5.24 765 709 A 18 LYS H A 18 LYS HDx 1.0 . 4.77 766 709 A 18 LYS H A 18 LYS HDy 1.0 . 4.77 767 710 A 18 LYS HG2 A 18 LYS HA 1.0 . 3.17 768 711 A 31 CYS HB3 A 22 LEU HB2 1.0 . 3.93 769 712 A 22 LEU HB3 A 21 LYS HEx 1.0 . 5.37 770 712 A 22 LEU HB3 A 21 LYS HEy 1.0 . 5.37 771 713 A 22 LEU HD1% A 33 TRP HB2 1.0 . 5.50 772 714 A 22 LEU HD1% A 16 CYS HB3 1.0 . 4.02 773 715 A 22 LEU HD2% A 16 CYS HB3 1.0 . 4.47 774 716 A 22 LEU HA A 33 TRP HB2 1.0 . 5.50 775 717 A 22 LEU HD2% A 21 LYS HEx 1.0 . 4.93 776 717 A 22 LEU HD2% A 21 LYS HEy 1.0 . 4.93 777 718 A 22 LEU HD2% A 17 CYS HB2 1.0 . 4.88 778 719 A 22 LEU HD1% A 17 CYS HB2 1.0 . 3.60 779 720 A 17 CYS HB2 A 22 LEU HB3 1.0 . 5.27 780 721 A 4 GLY HA3 A 22 LEU HD1% 1.0 . 4.34 781 722 A 4 GLY HA3 A 22 LEU HD2% 1.0 . 5.49 782 723 A 22 LEU HD1% A 20 SER HBy 1.0 . 3.75 783 724 A 22 LEU HD2% A 31 CYS HA 1.0 . 4.46 784 725 A 16 CYS HA A 22 LEU HB3 1.0 . 5.34 785 726 A 25 SER HB2 A 27 LYS H 1.0 . 4.86 786 727 A 28 THR HA A 30 TRP HZ3 1.0 . 4.83 787 728 A 28 THR HB A 30 TRP HZ3 1.0 . 4.44 788 729 A 7 LYS H A 30 TRP HA 1.0 . 4.27 789 730 A 5 ILE H A 5 ILE HG1x 1.0 . 4.11 790 730 A 5 ILE H A 5 ILE HG1y 1.0 . 4.11 791 731 A 5 ILE HA A 5 ILE HG1x 1.0 . 2.74 792 731 A 5 ILE HA A 5 ILE HG1y 1.0 . 2.74 793 732 A 5 ILE HG2% A 5 ILE HG1x 1.0 . 3.05 794 732 A 5 ILE HG2% A 5 ILE HG1y 1.0 . 3.05 795 733 A 5 ILE HG2% A 6 PHE HBx 1.0 . 4.10 796 733 A 5 ILE HG2% A 6 PHE HBy 1.0 . 4.10 797 734 A 6 PHE H A 5 ILE HG1x 1.0 . 3.05 798 734 A 6 PHE H A 5 ILE HG1y 1.0 . 3.05 799 735 A 6 PHE HD% A 5 ILE HG1x 1.0 . 4.78 800 735 A 6 PHE HD% A 5 ILE HG1y 1.0 . 4.78 801 736 A 6 PHE HE% A 5 ILE HG1x 1.0 . 4.68 802 736 A 6 PHE HE% A 5 ILE HG1y 1.0 . 4.68 803 737 A 6 PHE HZ A 5 ILE HG1x 1.0 . 5.34 804 737 A 6 PHE HZ A 5 ILE HG1y 1.0 . 5.34 805 738 A 32 LYS HA A 5 ILE HG1x 1.0 . 4.27 806 738 A 32 LYS HA A 5 ILE HG1y 1.0 . 4.27 807 739 A 33 TRP H A 5 ILE HG1x 1.0 . 4.33 808 739 A 33 TRP H A 5 ILE HG1y 1.0 . 4.33 809 740 A 7 LYS H A 6 PHE HBx 1.0 . 4.01 810 740 A 7 LYS H A 6 PHE HBy 1.0 . 4.01 811 741 A 7 LYS HA A 7 LYS HDx 1.0 . 2.62 812 741 A 7 LYS HA A 7 LYS HDy 1.0 . 2.62 813 742 A 7 LYS HA A 7 LYS HEy 1.0 . 4.58 814 742 A 7 LYS HA A 7 LYS HEx 1.0 . 4.58 815 743 A 7 LYS HB2 A 7 LYS HEy 1.0 . 4.70 816 743 A 7 LYS HB2 A 7 LYS HEx 1.0 . 4.70 817 744 A 7 LYS HB3 A 7 LYS HEy 1.0 . 4.56 818 744 A 7 LYS HB3 A 7 LYS HEx 1.0 . 4.56 819 745 A 10 ASN H A 10 ASN HBx 1.0 . 3.20 820 745 A 10 ASN H A 10 ASN HBy 1.0 . 3.20 821 746 A 11 PRO HD2 A 10 ASN HBx 1.0 . 4.86 822 746 A 11 PRO HD2 A 10 ASN HBy 1.0 . 4.86 823 747 A 11 PRO HD3 A 10 ASN HBx 1.0 . 5.02 824 747 A 11 PRO HD3 A 10 ASN HBy 1.0 . 5.02 825 748 A 12 SER H A 10 ASN HBx 1.0 . 4.61 826 748 A 12 SER H A 10 ASN HBy 1.0 . 4.61 827 749 A 13 ASN H A 10 ASN HBx 1.0 . 3.57 828 749 A 13 ASN H A 10 ASN HBy 1.0 . 3.57 829 750 A 13 ASN HB2 A 10 ASN HBx 1.0 . 4.94 830 750 A 13 ASN HB2 A 10 ASN HBy 1.0 . 4.94 831 751 A 13 ASN HB3 A 10 ASN HBx 1.0 . 4.93 832 751 A 13 ASN HB3 A 10 ASN HBy 1.0 . 4.93 833 752 A 10 ASN HD21 A 12 SER HBx 1.0 . 3.71 834 752 A 10 ASN HD21 A 12 SER HBy 1.0 . 3.71 835 753 A 10 ASN HD22 A 12 SER HBx 1.0 . 4.31 836 753 A 10 ASN HD22 A 12 SER HBy 1.0 . 4.31 837 754 A 11 PRO HD2 A 29 ARG HDy 1.0 . 5.21 838 754 A 11 PRO HD2 A 29 ARG HDx 1.0 . 5.21 839 755 A 11 PRO HD3 A 29 ARG HDy 1.0 . 4.88 840 755 A 11 PRO HD3 A 29 ARG HDx 1.0 . 4.88 841 756 A 12 SER H A 12 SER HBx 1.0 . 3.01 842 756 A 12 SER H A 12 SER HBy 1.0 . 3.01 843 757 A 12 SER HA A 12 SER HBx 1.0 . 2.64 844 757 A 12 SER HA A 12 SER HBy 1.0 . 2.64 845 758 A 13 ASN H A 12 SER HBx 1.0 . 3.54 846 758 A 13 ASN H A 12 SER HBy 1.0 . 3.54 847 759 A 13 ASN HB2 A 12 SER HBx 1.0 . 4.96 848 759 A 13 ASN HB2 A 12 SER HBy 1.0 . 4.96 849 760 A 13 ASN HB2 A 13 ASN HD2x 1.0 . 3.52 850 760 A 13 ASN HB2 A 13 ASN HD2y 1.0 . 3.52 851 761 A 13 ASN HB3 A 13 ASN HD2x 1.0 . 3.53 852 761 A 13 ASN HB3 A 13 ASN HD2y 1.0 . 3.53 853 762 A 14 ASP H A 15 GLN HGy 1.0 . 4.96 854 762 A 14 ASP H A 15 GLN HGx 1.0 . 4.96 855 763 A 14 ASP HA A 15 GLN HGy 1.0 . 4.40 856 763 A 14 ASP HA A 15 GLN HGx 1.0 . 4.40 857 764 A 15 GLN H A 15 GLN HGy 1.0 . 3.57 858 764 A 15 GLN H A 15 GLN HGx 1.0 . 3.57 859 765 A 15 GLN HA A 15 GLN HGy 1.0 . 3.37 860 765 A 15 GLN HA A 15 GLN HGx 1.0 . 3.37 861 766 A 15 GLN HE2x A 15 GLN HGy 1.0 . 3.22 862 766 A 15 GLN HE2y A 15 GLN HGy 1.0 . 3.22 863 766 A 15 GLN HGx A 15 GLN HE2y 1.0 . 3.22 864 766 A 15 GLN HGx A 15 GLN HE2x 1.0 . 3.22 865 767 A 17 CYS H A 20 SER HBx 1.0 . 5.12 866 767 A 17 CYS H A 20 SER HBy 1.0 . 5.12 867 768 A 17 CYS HB2 A 20 SER HBx 1.0 . 4.10 868 768 A 17 CYS HB2 A 20 SER HBy 1.0 . 4.10 869 769 A 17 CYS HB3 A 20 SER HBx 1.0 . 3.87 870 769 A 17 CYS HB3 A 20 SER HBy 1.0 . 3.87 871 770 A 18 LYS H A 19 SER HBy 1.0 . 5.13 872 770 A 18 LYS H A 19 SER HBx 1.0 . 5.13 873 771 A 20 SER H A 20 SER HBx 1.0 . 3.02 874 771 A 20 SER H A 20 SER HBy 1.0 . 3.02 875 772 A 21 LYS H A 20 SER HBx 1.0 . 4.42 876 772 A 21 LYS H A 20 SER HBy 1.0 . 4.42 877 773 A 22 LEU H A 20 SER HBx 1.0 . 4.67 878 773 A 22 LEU H A 20 SER HBy 1.0 . 4.67 879 774 A 22 LEU HG A 20 SER HBx 1.0 . 3.32 880 774 A 22 LEU HG A 20 SER HBy 1.0 . 3.32 881 775 A 22 LEU HD1% A 20 SER HBx 1.0 . 3.25 882 775 A 22 LEU HD1% A 20 SER HBy 1.0 . 3.25 883 776 A 22 LEU HD2% A 20 SER HBx 1.0 . 3.92 884 776 A 22 LEU HD2% A 20 SER HBy 1.0 . 3.92 885 777 A 23 VAL HB A 34 GLN HGy 1.0 . 4.61 886 777 A 23 VAL HB A 34 GLN HGx 1.0 . 4.61 887 778 A 23 VAL HG2% A 34 GLN HGy 1.0 . 4.31 888 778 A 23 VAL HG2% A 34 GLN HGx 1.0 . 4.31 889 779 A 27 LYS H A 27 LYS HGx 1.0 . 4.60 890 779 A 27 LYS H A 27 LYS HGy 1.0 . 4.60 891 780 A 27 LYS HA A 27 LYS HGx 1.0 . 3.30 892 780 A 27 LYS HA A 27 LYS HGy 1.0 . 3.30 893 781 A 28 THR H A 27 LYS HGx 1.0 . 4.41 894 781 A 28 THR H A 27 LYS HGy 1.0 . 4.41 895 782 A 28 THR HA A 27 LYS HGx 1.0 . 4.61 896 782 A 28 THR HA A 27 LYS HGy 1.0 . 4.61 897 783 A 28 THR HG2% A 27 LYS HGx 1.0 . 4.31 898 783 A 28 THR HG2% A 27 LYS HGy 1.0 . 4.31 899 784 A 29 ARG HA A 29 ARG HDy 1.0 . 4.66 900 784 A 29 ARG HA A 29 ARG HDx 1.0 . 4.66 901 785 A 29 ARG HB3 A 29 ARG HDy 1.0 . 3.68 902 785 A 29 ARG HB3 A 29 ARG HDx 1.0 . 3.68 903 786 A 34 GLN H A 34 GLN HGy 1.0 . 3.90 904 786 A 34 GLN H A 34 GLN HGx 1.0 . 3.90 905 787 A 34 GLN HA A 34 GLN HGy 1.0 . 3.24 906 787 A 34 GLN HA A 34 GLN HGx 1.0 . 3.24 907 788 A 35 ILE H A 34 GLN HGy 1.0 . 4.12 908 788 A 35 ILE H A 34 GLN HGx 1.0 . 4.12 909 789 A 35 ILE HG2% A 34 GLN HE2x 1.0 . 4.50 910 789 A 34 GLN HE2y A 35 ILE HG2% 1.0 . 4.50 911 790 A 35 ILE HA A 35 ILE HG1y 1.0 . 3.74 912 790 A 35 ILE HA A 35 ILE HG1x 1.0 . 3.74 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 GLY C A 2 CYS N A 2 CYS CA A 2 CYS C 1.0 -173.0 -78.9 PHI 2 2 A 2 CYS N A 2 CYS CA A 2 CYS C A 3 LEU N 1.0 129.5 169.5 PSI 3 3 A 2 CYS C A 3 LEU N A 3 LEU CA A 3 LEU C 1.0 -154.3 -91.1 PHI 4 4 A 3 LEU N A 3 LEU CA A 3 LEU C A 4 GLY N 1.0 105.5 164.4 PSI 5 5 A 3 LEU C A 4 GLY N A 4 GLY CA A 4 GLY C 1.0 -127.7 -48.2 PHI 6 6 A 4 GLY N A 4 GLY CA A 4 GLY C A 5 ILE N 1.0 136.0 192.9 PSI 7 7 A 7 LYS C A 8 ALA N A 8 ALA CA A 8 ALA C 1.0 -103.8 -45.1 PHI 8 8 A 8 ALA N A 8 ALA CA A 8 ALA C A 9 CYS N 1.0 111.2 168.1 PSI 9 9 A 8 ALA C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -176.5 -99.6 PHI 10 10 A 9 CYS N A 9 CYS CA A 9 CYS C A 10 ASN N 1.0 128.6 181.7 PSI 11 11 A 9 CYS C A 10 ASN N A 10 ASN CA A 10 ASN C 1.0 -147.3 -69.1 PHI 12 12 A 10 ASN N A 10 ASN CA A 10 ASN C A 11 PRO N 1.0 94.1 170.8 PSI 13 13 A 11 PRO C A 12 SER N A 12 SER CA A 12 SER C 1.0 -104.1 -64.1 PHI 14 14 A 12 SER N A 12 SER CA A 12 SER C A 13 ASN N 1.0 -29.9 10.1 PSI 15 15 A 17 CYS C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -80.2 -40.2 PHI 16 16 A 18 LYS N A 18 LYS CA A 18 LYS C A 19 SER N 1.0 -58.5 -18.5 PSI 17 17 A 18 LYS C A 19 SER N A 19 SER CA A 19 SER C 1.0 -83.8 -43.8 PHI 18 18 A 19 SER N A 19 SER CA A 19 SER C A 20 SER N 1.0 -45.2 -5.2 PSI 19 19 A 19 SER C A 20 SER N A 20 SER CA A 20 SER C 1.0 -124.7 -83.6 PHI 20 20 A 20 SER N A 20 SER CA A 20 SER C A 21 LYS N 1.0 -18.2 21.8 PSI 21 21 A 20 SER C A 21 LYS N A 21 LYS CA A 21 LYS C 1.0 37.7 77.7 PHI 22 22 A 21 LYS N A 21 LYS CA A 21 LYS C A 22 LEU N 1.0 19.5 59.5 PSI 23 23 A 21 LYS C A 22 LEU N A 22 LEU CA A 22 LEU C 1.0 -150.7 -84.7 PHI 24 24 A 22 LEU N A 22 LEU CA A 22 LEU C A 23 VAL N 1.0 113.7 180.1 PSI 25 25 A 22 LEU C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -147.0 -91.0 PHI 26 26 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 CYS N 1.0 105.2 167.5 PSI 27 27 A 23 VAL C A 24 CYS N A 24 CYS CA A 24 CYS C 1.0 -105.7 -51.6 PHI 28 28 A 24 CYS N A 24 CYS CA A 24 CYS C A 25 SER N 1.0 104.9 162.1 PSI 29 29 A 24 CYS C A 25 SER N A 25 SER CA A 25 SER C 1.0 -100.7 -52.3 PHI 30 30 A 25 SER N A 25 SER CA A 25 SER C A 26 ARG N 1.0 91.0 148.3 PSI 31 31 A 25 SER C A 26 ARG N A 26 ARG CA A 26 ARG C 1.0 -87.5 -47.5 PHI 32 32 A 26 ARG N A 26 ARG CA A 26 ARG C A 27 LYS N 1.0 -49.5 -9.5 PSI 33 33 A 26 ARG C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -90.1 -50.1 PHI 34 34 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 THR N 1.0 -57.4 -17.4 PSI 35 35 A 27 LYS C A 28 THR N A 28 THR CA A 28 THR C 1.0 -133.7 -84.8 PHI 36 36 A 28 THR N A 28 THR CA A 28 THR C A 29 ARG N 1.0 -26.3 13.7 PSI 37 37 A 28 THR C A 29 ARG N A 29 ARG CA A 29 ARG C 1.0 38.5 78.5 PHI 38 38 A 29 ARG N A 29 ARG CA A 29 ARG C A 30 TRP N 1.0 20.3 60.3 PSI 39 39 A 30 TRP C A 31 CYS N A 31 CYS CA A 31 CYS C 1.0 -101.6 -51.2 PHI 40 40 A 31 CYS N A 31 CYS CA A 31 CYS C A 32 LYS N 1.0 113.4 156.1 PSI 41 41 A 31 CYS C A 32 LYS N A 32 LYS CA A 32 LYS C 1.0 -152.5 -103.8 PHI 42 42 A 32 LYS N A 32 LYS CA A 32 LYS C A 33 TRP N 1.0 131.2 172.1 PSI 43 43 A 32 LYS C A 33 TRP N A 33 TRP CA A 33 TRP C 1.0 -98.4 -52.7 PHI 44 44 A 33 TRP N A 33 TRP CA A 33 TRP C A 34 GLN N 1.0 110.5 150.5 PSI 45 45 A 33 TRP C A 34 GLN N A 34 GLN CA A 34 GLN C 1.0 -124.8 -47.3 PHI 46 46 A 34 GLN N A 34 GLN CA A 34 GLN C A 35 ILE N 1.0 96.4 149.8 PSI stop_ save_