data_nef_c25609_2n2r 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 25605 PDB 2N2R 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 4 CYS SG 1 51 CYS SG 1 15 CYS SG 1 36 CYS SG 1 21 CYS SG 1 45 CYS SG 1 25 CYS SG 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 1 GLN start . . 2 A 2 LYS middle . . 3 A 3 LEU middle . . 4 A 4 CYS middle -HG . 5 A 5 GLN middle . . 6 A 6 ARG middle . . 7 A 7 PRO middle . false 8 A 8 SER middle . . 9 A 9 GLY middle . false 10 A 10 THR middle . . 11 A 11 TRP middle . . 12 A 12 SER middle . . 13 A 13 GLY middle . false 14 A 14 VAL middle . . 15 A 15 CYS middle -HG . 16 A 16 GLY middle . false 17 A 17 ASN middle . . 18 A 18 ASN middle . . 19 A 19 ASN middle . . 20 A 20 ALA middle . . 21 A 21 CYS middle -HG . 22 A 22 LYS middle . . 23 A 23 ASN middle . . 24 A 24 GLN middle . . 25 A 25 CYS middle -HG . 26 A 26 ILE middle . . 27 A 27 ARG middle . . 28 A 28 LEU middle . . 29 A 29 GLU middle . . 30 A 30 LYS middle . . 31 A 31 ALA middle . . 32 A 32 ARG middle . . 33 A 33 HIS middle . . 34 A 34 GLY middle . false 35 A 35 SER middle . . 36 A 36 CYS middle -HG . 37 A 37 ASN middle . . 38 A 38 TYR middle . . 39 A 39 VAL middle . . 40 A 40 PHE middle . . 41 A 41 PRO middle . true 42 A 42 ALA middle . . 43 A 43 HIS middle . . 44 A 44 LYS middle . . 45 A 45 CYS middle -HG . 46 A 46 ILE middle . . 47 A 47 CYS middle -HG . 48 A 48 TYR middle . . 49 A 49 PHE middle . . 50 A 50 PRO middle . false 51 A 51 CYS end -HG . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 GLN HA H 1 4.395 0.001 A 1 GLN HBx H 1 2.084 0.004 A 1 GLN HBy H 1 2.084 0.004 A 1 GLN HE2x H 1 6.797 0.002 A 1 GLN HE2y H 1 7.333 0.015 A 1 GLN HGx H 1 2.402 0.014 A 1 GLN HGy H 1 2.577 0.007 A 1 GLN CB C 13 28.205 0.000 A 1 GLN NE2 N 15 110.524 0.029 A 2 LYS H H 1 8.379 0.002 A 2 LYS HA H 1 4.314 0.004 A 2 LYS HBx H 1 1.775 0.006 A 2 LYS HBy H 1 1.865 0.004 A 2 LYS HDx H 1 1.710 0.008 A 2 LYS HDy H 1 1.718 0.003 A 2 LYS HEx H 1 3.011 0.001 A 2 LYS HEy H 1 3.015 0.008 A 2 LYS HGx H 1 1.463 0.006 A 2 LYS HGy H 1 1.466 0.006 A 2 LYS HZ1 H 1 7.546 0.000 A 2 LYS HZ2 H 1 7.546 0.000 A 2 LYS HZ3 H 1 7.546 0.000 A 2 LYS CA C 13 56.952 0.000 A 2 LYS CB C 13 33.500 0.010 A 2 LYS CD C 13 29.240 0.008 A 2 LYS CE C 13 41.951 0.000 A 2 LYS CG C 13 25.192 0.000 A 2 LYS N N 15 122.386 0.000 A 3 LEU H H 1 8.403 0.002 A 3 LEU HA H 1 5.120 0.005 A 3 LEU HBx H 1 1.351 0.003 A 3 LEU HBy H 1 1.839 0.006 A 3 LEU HDx% H 1 0.744 0.004 A 3 LEU HDy% H 1 0.679 0.003 A 3 LEU HG H 1 1.689 0.005 A 3 LEU CA C 13 53.631 0.000 A 3 LEU CB C 13 45.097 0.030 A 3 LEU CDy C 13 25.724 0.000 A 3 LEU CDx C 13 23.172 0.000 A 3 LEU CG C 13 26.886 0.000 A 3 LEU N N 15 122.769 0.000 A 4 CYS H H 1 9.758 0.002 A 4 CYS HA H 1 5.091 0.006 A 4 CYS HBx H 1 2.974 0.006 A 4 CYS HBy H 1 2.974 0.006 A 4 CYS CA C 13 59.422 0.000 A 4 CYS CB C 13 39.243 0.000 A 4 CYS N N 15 122.530 0.000 A 5 GLN H H 1 8.714 0.003 A 5 GLN HA H 1 4.662 0.008 A 5 GLN HBx H 1 1.621 0.002 A 5 GLN HBy H 1 1.621 0.003 A 5 GLN HE2x H 1 6.759 0.013 A 5 GLN HE2y H 1 7.320 0.001 A 5 GLN HGx H 1 2.009 0.000 A 5 GLN HGy H 1 2.009 0.000 A 5 GLN CA C 13 54.656 0.000 A 5 GLN N N 15 121.642 0.000 A 5 GLN NE2 N 15 111.114 0.024 A 6 ARG H H 1 9.116 0.002 A 6 ARG HA H 1 4.825 0.006 A 6 ARG HBx H 1 1.747 0.013 A 6 ARG HBy H 1 1.910 0.007 A 6 ARG HDx H 1 2.914 0.006 A 6 ARG HDy H 1 3.043 0.008 A 6 ARG HE H 1 7.019 0.001 A 6 ARG HGx H 1 1.575 0.009 A 6 ARG HGy H 1 1.689 0.004 A 6 ARG CA C 13 56.137 0.000 A 6 ARG CB C 13 29.799 0.000 A 6 ARG CD C 13 43.575 0.014 A 6 ARG CG C 13 27.111 0.000 A 6 ARG N N 15 123.745 0.000 A 7 PRO HA H 1 4.489 0.006 A 7 PRO HBy H 1 2.314 0.002 A 7 PRO HBx H 1 1.922 0.007 A 7 PRO HDx H 1 3.637 0.002 A 7 PRO HDy H 1 3.850 0.004 A 7 PRO HGx H 1 1.919 0.004 A 7 PRO HGy H 1 2.153 0.010 A 7 PRO CA C 13 63.361 0.000 A 7 PRO CB C 13 31.991 0.002 A 7 PRO CD C 13 50.593 0.005 A 7 PRO CG C 13 27.888 0.005 A 8 SER H H 1 8.637 0.001 A 8 SER HA H 1 4.733 0.018 A 8 SER HBx H 1 3.709 0.010 A 8 SER HBy H 1 4.109 0.007 A 8 SER CA C 13 58.474 0.000 A 8 SER CB C 13 64.045 0.032 A 8 SER N N 15 117.681 0.000 A 9 GLY H H 1 10.637 0.002 A 9 GLY HAx H 1 3.912 0.006 A 9 GLY HAy H 1 4.404 0.007 A 9 GLY CA C 13 45.348 0.000 A 9 GLY N N 15 119.674 0.000 A 10 THR H H 1 8.190 0.002 A 10 THR HA H 1 4.504 0.006 A 10 THR HB H 1 4.160 0.004 A 10 THR HG2% H 1 1.139 0.004 A 10 THR CA C 13 62.142 0.000 A 10 THR CB C 13 70.491 0.000 A 11 TRP H H 1 8.144 0.002 A 11 TRP HA H 1 4.127 0.008 A 11 TRP HBx H 1 3.110 0.006 A 11 TRP HBy H 1 3.254 0.006 A 11 TRP HD1 H 1 7.101 0.003 A 11 TRP HE1 H 1 8.585 0.000 A 11 TRP HE3 H 1 7.358 0.006 A 11 TRP HH2 H 1 7.245 0.004 A 11 TRP HZ2 H 1 7.822 0.007 A 11 TRP HZ3 H 1 6.801 0.005 A 11 TRP CB C 13 29.039 0.004 A 11 TRP CD1 C 13 128.515 0.000 A 11 TRP CE3 C 13 120.465 0.000 A 11 TRP CH2 C 13 124.267 0.000 A 11 TRP CZ2 C 13 114.480 0.000 A 11 TRP CZ3 C 13 121.066 0.000 A 11 TRP N N 15 125.661 0.000 A 11 TRP NE1 N 15 127.247 0.000 A 12 SER H H 1 7.386 0.002 A 12 SER HA H 1 4.636 0.005 A 12 SER HBx H 1 3.563 0.006 A 12 SER HBy H 1 3.565 0.004 A 12 SER CA C 13 56.816 0.000 A 12 SER CB C 13 64.554 0.000 A 12 SER N N 15 123.085 0.000 A 13 GLY H H 1 8.411 0.001 A 13 GLY HAx H 1 3.887 0.007 A 13 GLY HAy H 1 4.176 0.005 A 13 GLY CA C 13 44.070 0.048 A 13 GLY N N 15 111.229 0.000 A 14 VAL H H 1 8.560 0.004 A 14 VAL HA H 1 4.048 0.002 A 14 VAL HB H 1 2.146 0.005 A 14 VAL HGx% H 1 1.089 0.004 A 14 VAL HGy% H 1 0.978 0.004 A 14 VAL CA C 13 63.488 0.000 A 14 VAL CB C 13 32.699 0.000 A 14 VAL CGy C 13 21.529 0.000 A 14 VAL CGx C 13 20.897 0.000 A 14 VAL N N 15 119.990 0.000 A 15 CYS H H 1 8.245 0.002 A 15 CYS HA H 1 4.929 0.005 A 15 CYS HBy H 1 2.913 0.007 A 15 CYS HBx H 1 1.868 0.005 A 15 CYS CA C 13 56.967 0.000 A 15 CYS N N 15 127.964 0.000 A 16 GLY H H 1 8.626 0.004 A 16 GLY HAx H 1 3.705 0.012 A 16 GLY HAy H 1 4.404 0.007 A 16 GLY CA C 13 44.758 0.002 A 16 GLY N N 15 114.247 0.000 A 17 ASN H H 1 7.334 0.003 A 17 ASN HA H 1 4.867 0.006 A 17 ASN HBx H 1 2.818 0.007 A 17 ASN HBy H 1 3.035 0.006 A 17 ASN HD2x H 1 7.111 0.002 A 17 ASN HD2y H 1 7.893 0.001 A 17 ASN CA C 13 52.370 0.000 A 17 ASN N N 15 118.551 0.000 A 17 ASN ND2 N 15 113.214 0.000 A 18 ASN H H 1 9.004 0.001 A 18 ASN HA H 1 4.246 0.003 A 18 ASN HBy H 1 3.139 0.002 A 18 ASN HBx H 1 2.721 0.002 A 18 ASN HD2x H 1 7.043 0.002 A 18 ASN HD2y H 1 7.625 0.002 A 18 ASN N N 15 125.543 0.000 A 18 ASN ND2 N 15 112.955 0.008 A 19 ASN H H 1 8.453 0.003 A 19 ASN HA H 1 4.396 0.007 A 19 ASN HBx H 1 2.815 0.012 A 19 ASN HBy H 1 2.908 0.005 A 19 ASN HD2x H 1 7.109 0.003 A 19 ASN HD2y H 1 7.751 0.003 A 19 ASN CA C 13 59.394 0.000 A 19 ASN CB C 13 38.153 0.028 A 19 ASN N N 15 117.817 0.000 A 19 ASN ND2 N 15 113.510 0.025 A 20 ALA H H 1 8.002 0.003 A 20 ALA HA H 1 4.317 0.003 A 20 ALA HB% H 1 1.770 0.003 A 20 ALA CA C 13 54.918 0.000 A 20 ALA CB C 13 18.471 0.000 A 20 ALA N N 15 122.828 0.000 A 21 CYS H H 1 7.273 0.004 A 21 CYS HA H 1 4.173 0.009 A 21 CYS HBy H 1 2.200 0.006 A 21 CYS HBx H 1 2.088 0.007 A 21 CYS CA C 13 58.180 0.000 A 21 CYS CB C 13 36.910 0.010 A 21 CYS N N 15 118.495 0.000 A 22 LYS H H 1 8.368 0.006 A 22 LYS HA H 1 3.202 0.008 A 22 LYS HBx H 1 1.924 0.011 A 22 LYS HBy H 1 1.924 0.011 A 22 LYS HDx H 1 1.732 0.000 A 22 LYS HDy H 1 1.732 0.000 A 22 LYS HEx H 1 3.037 0.000 A 22 LYS HEy H 1 3.037 0.000 A 22 LYS HGx H 1 1.220 0.011 A 22 LYS HGy H 1 1.304 0.007 A 22 LYS CA C 13 60.718 0.000 A 22 LYS CE C 13 42.141 0.000 A 22 LYS CG C 13 25.174 0.024 A 22 LYS N N 15 120.732 0.000 A 23 ASN H H 1 8.311 0.002 A 23 ASN HA H 1 4.403 0.003 A 23 ASN HBy H 1 2.887 0.003 A 23 ASN HBx H 1 2.798 0.003 A 23 ASN HD2x H 1 6.884 0.002 A 23 ASN HD2y H 1 7.591 0.001 A 23 ASN CA C 13 56.202 0.000 A 23 ASN N N 15 114.540 0.000 A 23 ASN ND2 N 15 111.914 0.002 A 24 GLN H H 1 8.206 0.003 A 24 GLN HA H 1 4.120 0.004 A 24 GLN HBx H 1 2.385 0.010 A 24 GLN HBy H 1 2.586 0.010 A 24 GLN HE2x H 1 6.579 0.002 A 24 GLN HE2y H 1 7.813 0.000 A 24 GLN HGx H 1 2.530 0.009 A 24 GLN HGy H 1 2.590 0.007 A 24 GLN CA C 13 60.733 0.000 A 24 GLN CB C 13 28.107 0.034 A 24 GLN CG C 13 34.198 0.000 A 24 GLN N N 15 121.346 0.000 A 24 GLN NE2 N 15 110.340 0.016 A 25 CYS H H 1 8.745 0.003 A 25 CYS HA H 1 4.226 0.009 A 25 CYS HBx H 1 2.528 0.010 A 25 CYS HBy H 1 2.878 0.002 A 25 CYS CA C 13 57.322 0.000 A 25 CYS CB C 13 36.914 0.028 A 26 ILE H H 1 8.185 0.005 A 26 ILE HA H 1 3.838 0.006 A 26 ILE HB H 1 1.724 0.003 A 26 ILE HD1% H 1 0.814 0.003 A 26 ILE HG1x H 1 0.813 0.003 A 26 ILE HG1y H 1 1.449 0.003 A 26 ILE HG2% H 1 0.892 0.006 A 26 ILE CA C 13 65.135 0.000 A 26 ILE CB C 13 39.427 0.000 A 26 ILE CD1 C 13 14.847 0.000 A 26 ILE CG1 C 13 28.011 0.005 A 26 ILE CG2 C 13 16.526 0.000 A 26 ILE N N 15 119.656 0.000 A 27 ARG H H 1 8.684 0.002 A 27 ARG HA H 1 4.130 0.002 A 27 ARG HBx H 1 1.909 0.005 A 27 ARG HBy H 1 1.995 0.004 A 27 ARG HDx H 1 3.192 0.005 A 27 ARG HDy H 1 3.255 0.007 A 27 ARG HE H 1 7.305 0.002 A 27 ARG HGx H 1 1.654 0.005 A 27 ARG HGy H 1 1.814 0.005 A 27 ARG CA C 13 59.547 0.000 A 27 ARG CB C 13 31.079 0.008 A 27 ARG CD C 13 43.349 0.005 A 27 ARG N N 15 118.058 0.000 A 28 LEU H H 1 8.567 0.002 A 28 LEU HA H 1 4.708 0.005 A 28 LEU HBx H 1 1.670 0.004 A 28 LEU HBy H 1 2.196 0.001 A 28 LEU HDx% H 1 0.996 0.004 A 28 LEU HDy% H 1 0.924 0.007 A 28 LEU HG H 1 1.769 0.007 A 28 LEU CA C 13 55.662 0.000 A 28 LEU CB C 13 42.791 0.063 A 28 LEU CDy C 13 24.946 0.000 A 28 LEU CDx C 13 22.664 0.000 A 28 LEU CG C 13 27.852 0.000 A 28 LEU N N 15 114.032 0.000 A 29 GLU H H 1 7.026 0.004 A 29 GLU HA H 1 4.820 0.004 A 29 GLU HBx H 1 2.651 0.006 A 29 GLU HBy H 1 2.761 0.003 A 29 GLU HGx H 1 2.283 0.009 A 29 GLU HGy H 1 2.375 0.006 A 29 GLU CB C 13 30.031 0.035 A 29 GLU CG C 13 38.455 0.002 A 30 LYS H H 1 7.477 0.004 A 30 LYS HA H 1 4.236 0.003 A 30 LYS HBx H 1 2.152 0.005 A 30 LYS HBy H 1 2.246 0.004 A 30 LYS HDx H 1 1.725 0.008 A 30 LYS HDy H 1 1.738 0.005 A 30 LYS HEx H 1 3.059 0.003 A 30 LYS HEy H 1 3.059 0.003 A 30 LYS HGy H 1 1.430 0.005 A 30 LYS HGx H 1 1.429 0.005 A 30 LYS HZ1 H 1 7.553 0.000 A 30 LYS HZ2 H 1 7.553 0.000 A 30 LYS HZ3 H 1 7.553 0.000 A 30 LYS CA C 13 57.254 0.000 A 30 LYS CB C 13 28.627 0.014 A 30 LYS CD C 13 26.745 0.000 A 30 LYS CG C 13 25.243 0.000 A 30 LYS N N 15 112.428 0.000 A 31 ALA H H 1 7.925 0.001 A 31 ALA HA H 1 3.988 0.008 A 31 ALA HB% H 1 0.813 0.003 A 31 ALA CA C 13 56.504 0.000 A 31 ALA CB C 13 21.065 0.000 A 31 ALA N N 15 120.385 0.000 A 32 ARG H H 1 8.238 0.002 A 32 ARG HA H 1 4.465 0.008 A 32 ARG HBx H 1 1.617 0.006 A 32 ARG HBy H 1 1.810 0.014 A 32 ARG HDx H 1 3.246 0.011 A 32 ARG HDy H 1 3.248 0.007 A 32 ARG HE H 1 7.451 0.006 A 32 ARG HGx H 1 1.695 0.007 A 32 ARG HGy H 1 1.756 0.000 A 32 ARG CA C 13 55.425 0.000 A 32 ARG CB C 13 31.652 0.022 A 32 ARG CD C 13 42.153 0.015 A 32 ARG N N 15 113.732 0.000 A 33 HIS H H 1 7.678 0.002 A 33 HIS HA H 1 4.611 0.011 A 33 HIS HBx H 1 2.417 0.004 A 33 HIS HBy H 1 3.106 0.012 A 33 HIS HD2 H 1 5.918 0.002 A 33 HIS HE1 H 1 7.757 0.003 A 33 HIS CA C 13 54.675 0.000 A 33 HIS CB C 13 32.706 0.000 A 33 HIS CD2 C 13 118.843 0.000 A 33 HIS CE1 C 13 139.201 0.000 A 33 HIS N N 15 113.719 0.000 A 34 GLY H H 1 6.313 0.004 A 34 GLY HAx H 1 3.847 0.012 A 34 GLY HAy H 1 5.293 0.006 A 34 GLY CA C 13 46.560 0.054 A 34 GLY N N 15 110.099 0.000 A 35 SER H H 1 9.047 0.002 A 35 SER HA H 1 4.127 0.013 A 35 SER HBx H 1 3.725 0.000 A 35 SER HBy H 1 3.725 0.000 A 35 SER CA C 13 58.325 0.000 A 35 SER CB C 13 64.988 0.000 A 35 SER N N 15 113.340 0.000 A 36 CYS H H 1 8.551 0.003 A 36 CYS HA H 1 5.487 0.004 A 36 CYS HBx H 1 2.755 0.008 A 36 CYS HBy H 1 2.850 0.004 A 36 CYS CA C 13 51.982 0.000 A 36 CYS CB C 13 36.289 0.006 A 36 CYS N N 15 120.662 0.000 A 37 ASN H H 1 9.115 0.002 A 37 ASN HA H 1 4.958 0.010 A 37 ASN HBx H 1 2.751 0.003 A 37 ASN HBy H 1 2.751 0.003 A 37 ASN CA C 13 51.227 0.000 A 37 ASN N N 15 121.719 0.000 A 38 TYR H H 1 8.770 0.004 A 38 TYR HA H 1 4.252 0.004 A 38 TYR HBx H 1 2.578 0.012 A 38 TYR HBy H 1 3.030 0.010 A 38 TYR HDx H 1 6.601 0.011 A 38 TYR HDy H 1 6.601 0.011 A 38 TYR HEx H 1 6.695 0.010 A 38 TYR HEy H 1 6.695 0.010 A 38 TYR CB C 13 37.960 0.042 A 38 TYR CDx C 13 132.553 0.000 A 38 TYR CDy C 13 132.553 0.000 A 38 TYR CEx C 13 117.713 0.000 A 38 TYR CEy C 13 117.713 0.000 A 38 TYR N N 15 121.468 0.000 A 39 VAL H H 1 7.708 0.003 A 39 VAL HA H 1 3.899 0.007 A 39 VAL HB H 1 1.888 0.006 A 39 VAL HGx% H 1 0.872 0.004 A 39 VAL HGy% H 1 0.871 0.003 A 39 VAL CA C 13 61.802 0.000 A 39 VAL CB C 13 32.993 0.000 A 39 VAL CGy C 13 21.162 0.000 A 39 VAL CGx C 13 20.240 0.000 A 39 VAL N N 15 128.297 0.000 A 40 PHE H H 1 8.445 0.002 A 40 PHE HA H 1 3.968 0.005 A 40 PHE HBx H 1 2.891 0.007 A 40 PHE HBy H 1 3.019 0.006 A 40 PHE HDx H 1 7.304 0.006 A 40 PHE HDy H 1 7.304 0.006 A 40 PHE HEx H 1 7.419 0.005 A 40 PHE HEy H 1 7.419 0.005 A 40 PHE CDx C 13 132.180 0.000 A 40 PHE CDy C 13 132.180 0.000 A 40 PHE CEx C 13 132.347 0.000 A 40 PHE CEy C 13 132.347 0.000 A 40 PHE N N 15 125.402 0.000 A 41 PRO HA H 1 3.875 0.003 A 41 PRO HBy H 1 1.980 0.006 A 41 PRO HBx H 1 1.018 0.022 A 41 PRO HDx H 1 3.281 0.009 A 41 PRO HDy H 1 3.356 0.002 A 41 PRO HGx H 1 1.504 0.004 A 41 PRO HGy H 1 1.712 0.004 A 41 PRO CA C 13 64.282 0.000 A 41 PRO CB C 13 33.413 0.007 A 41 PRO CD C 13 49.066 0.049 A 41 PRO CG C 13 24.013 0.024 A 42 ALA H H 1 8.286 0.003 A 42 ALA HA H 1 4.752 0.008 A 42 ALA HB% H 1 1.326 0.003 A 42 ALA CA C 13 51.325 0.000 A 42 ALA CB C 13 22.128 0.000 A 42 ALA N N 15 128.282 0.000 A 43 HIS H H 1 8.656 0.004 A 43 HIS HA H 1 4.942 0.007 A 43 HIS HBx H 1 3.163 0.013 A 43 HIS HBy H 1 3.309 0.009 A 43 HIS HD2 H 1 7.327 0.002 A 43 HIS HE1 H 1 8.274 0.000 A 43 HIS CA C 13 55.599 0.000 A 43 HIS CB C 13 29.310 0.023 A 43 HIS CD2 C 13 119.827 0.000 A 43 HIS CE1 C 13 136.296 0.000 A 43 HIS N N 15 118.357 0.000 A 44 LYS H H 1 8.786 0.003 A 44 LYS HA H 1 4.662 0.003 A 44 LYS HBy H 1 1.884 0.003 A 44 LYS HBx H 1 1.542 0.008 A 44 LYS HDx H 1 1.670 0.002 A 44 LYS HDy H 1 1.670 0.001 A 44 LYS HEx H 1 2.954 0.006 A 44 LYS HEy H 1 2.954 0.006 A 44 LYS HGx H 1 1.409 0.004 A 44 LYS HGy H 1 1.510 0.008 A 44 LYS HZ1 H 1 7.651 0.006 A 44 LYS HZ2 H 1 7.651 0.006 A 44 LYS HZ3 H 1 7.651 0.006 A 44 LYS CA C 13 54.715 0.000 A 44 LYS CB C 13 35.890 0.039 A 44 LYS CD C 13 28.929 0.000 A 44 LYS CE C 13 41.793 0.000 A 44 LYS N N 15 124.500 0.000 A 45 CYS H H 1 9.194 0.002 A 45 CYS HA H 1 4.720 0.007 A 45 CYS HBx H 1 1.590 0.009 A 45 CYS HBy H 1 2.200 0.005 A 45 CYS CB C 13 35.576 0.069 A 45 CYS N N 15 120.407 0.000 A 46 ILE H H 1 8.734 0.005 A 46 ILE HA H 1 4.207 0.009 A 46 ILE HB H 1 2.093 0.002 A 46 ILE HD1% H 1 0.597 0.003 A 46 ILE HG1x H 1 1.287 0.005 A 46 ILE HG1y H 1 1.548 0.005 A 46 ILE HG2% H 1 0.450 0.004 A 46 ILE CA C 13 59.294 0.000 A 46 ILE CB C 13 37.466 0.000 A 46 ILE CD1 C 13 9.536 0.000 A 46 ILE CG1 C 13 27.008 0.082 A 46 ILE CG2 C 13 17.707 0.000 A 47 CYS H H 1 8.575 0.004 A 47 CYS HA H 1 5.382 0.003 A 47 CYS HBx H 1 2.746 0.005 A 47 CYS HBy H 1 3.007 0.002 A 47 CYS CA C 13 51.196 0.000 A 47 CYS N N 15 120.379 0.000 A 48 TYR H H 1 7.991 0.002 A 48 TYR HA H 1 5.304 0.005 A 48 TYR HBy H 1 2.677 0.006 A 48 TYR HBx H 1 2.488 0.003 A 48 TYR HDx H 1 6.746 0.003 A 48 TYR HDy H 1 6.746 0.003 A 48 TYR HEx H 1 6.713 0.000 A 48 TYR HEy H 1 6.713 0.000 A 48 TYR CA C 13 56.650 0.000 A 48 TYR CB C 13 40.802 0.019 A 48 TYR CDx C 13 132.348 0.000 A 48 TYR CDy C 13 132.348 0.000 A 48 TYR CEx C 13 118.653 0.000 A 48 TYR CEy C 13 118.653 0.000 A 48 TYR N N 15 117.509 0.000 A 49 PHE H H 1 9.213 0.002 A 49 PHE HA H 1 4.938 0.004 A 49 PHE HBy H 1 3.287 0.001 A 49 PHE HBx H 1 2.691 0.003 A 49 PHE HDx H 1 7.216 0.001 A 49 PHE HDy H 1 7.216 0.001 A 49 PHE HEx H 1 7.425 0.010 A 49 PHE HEy H 1 7.425 0.010 A 49 PHE CA C 13 55.712 0.000 A 49 PHE CDx C 13 131.871 0.000 A 49 PHE CDy C 13 131.871 0.000 A 49 PHE CEx C 13 131.755 0.000 A 49 PHE CEy C 13 131.755 0.000 A 49 PHE N N 15 121.950 0.000 A 50 PRO HA H 1 4.870 0.007 A 50 PRO HBy H 1 2.376 0.006 A 50 PRO HBx H 1 2.109 0.003 A 50 PRO HDx H 1 3.804 0.007 A 50 PRO HDy H 1 4.110 0.005 A 50 PRO HGx H 1 1.944 0.006 A 50 PRO HGy H 1 2.376 0.003 A 50 PRO CA C 13 63.696 0.000 A 50 PRO CB C 13 31.919 0.049 A 50 PRO CD C 13 51.025 0.057 A 50 PRO CG C 13 28.048 0.008 A 51 CYS H H 1 8.354 0.001 A 51 CYS HA H 1 4.548 0.003 A 51 CYS HBy H 1 3.377 0.006 A 51 CYS HBx H 1 3.197 0.004 A 51 CYS CA C 13 56.585 0.000 A 51 CYS N N 15 126.457 0.000 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 4 CYS HA A 5 GLN H 1.0 1.8 2.81 2 2 A 5 GLN H A 4 CYS H 1.0 1.8 4.66 3 3 A 5 GLN HA A 6 ARG H 1.0 1.8 2.91 4 4 A 5 GLN H A 6 ARG H 1.0 1.8 5.20 5 5 A 37 ASN H A 46 ILE H 1.0 1.8 5.38 6 6 A 6 ARG HE A 6 ARG HGx 1.0 1.8 4.08 7 7 A 6 ARG HE A 6 ARG HGy 1.0 1.8 4.08 8 8 A 10 THR HA A 10 THR HB 1.0 1.8 2.98 9 9 A 23 ASN HA A 26 ILE H 1.0 1.8 4.23 10 10 A 10 THR H A 10 THR HG2% 1.0 1.8 3.58 11 11 A 10 THR H A 9 GLY H 1.0 1.8 3.70 12 12 A 10 THR HG2% A 11 TRP H 1.0 1.8 4.72 13 13 A 11 TRP H A 11 TRP HBx 1.0 1.8 3.50 14 14 A 11 TRP HA A 11 TRP HD1 1.0 1.8 4.50 15 15 A 11 TRP HE3 A 11 TRP HBy 1.0 1.8 4.19 16 16 A 11 TRP HE3 A 11 TRP HBx 1.0 1.8 4.19 17 17 A 11 TRP H A 11 TRP HE3 1.0 1.8 4.57 18 18 A 11 TRP HA A 12 SER H 1.0 1.8 2.97 19 19 A 11 TRP H A 12 SER H 1.0 1.8 4.75 20 20 A 13 GLY H A 12 SER HBx 1.0 1.8 5.18 21 21 A 13 GLY H A 12 SER HBy 1.0 1.8 5.18 22 22 A 13 GLY H A 12 SER HA 1.0 1.8 3.03 23 23 A 12 SER H A 13 GLY H 1.0 1.8 4.88 24 24 A 13 GLY H A 14 VAL H 1.0 1.8 4.87 25 25 A 14 VAL H A 15 CYS H 1.0 1.8 4.67 26 26 A 15 CYS H A 14 VAL HGx% 1.0 1.8 4.26 27 27 A 15 CYS H A 14 VAL HGy% 1.0 1.8 4.26 28 28 A 15 CYS H A 14 VAL HB 1.0 1.8 4.41 29 29 A 15 CYS HA A 16 GLY H 1.0 1.8 3.17 30 30 A 16 GLY H A 17 ASN H 1.0 1.8 3.46 31 31 A 17 ASN HA A 18 ASN H 1.0 1.8 3.02 32 32 A 17 ASN H A 18 ASN H 1.0 1.8 4.98 33 33 A 18 ASN H A 18 ASN HBx 1.0 1.8 3.96 34 34 A 18 ASN H A 19 ASN H 1.0 1.8 3.79 35 35 A 19 ASN H A 18 ASN HBy 1.0 1.8 4.09 36 36 A 19 ASN H A 18 ASN HBx 1.0 1.8 4.09 37 37 A 20 ALA H A 17 ASN HBy 1.0 1.8 3.90 38 38 A 19 ASN H A 20 ALA H 1.0 1.8 3.44 39 39 A 20 ALA H A 21 CYS H 1.0 1.8 3.60 40 40 A 22 LYS H A 21 CYS HBx 1.0 1.8 4.79 41 41 A 22 LYS H A 21 CYS HBy 1.0 1.8 4.79 42 42 A 21 CYS H A 22 LYS H 1.0 1.8 3.60 43 43 A 22 LYS HBy A 23 ASN H 1.0 1.8 3.13 44 44 A 23 ASN HBy A 23 ASN HD2y 1.0 1.8 4.01 45 45 A 23 ASN H A 24 GLN H 1.0 1.8 4.15 46 46 A 24 GLN H A 23 ASN HBx 1.0 1.8 4.07 47 47 A 26 ILE H A 25 CYS HBx 1.0 1.8 3.47 48 48 A 26 ILE H A 25 CYS HBy 1.0 1.8 3.77 49 49 A 26 ILE H A 27 ARG H 1.0 1.8 3.62 50 50 A 27 ARG H A 26 ILE HB 1.0 1.8 3.43 51 51 A 26 ILE H A 26 ILE HG1y 1.0 1.8 3.29 52 52 A 27 ARG H A 26 ILE HG2% 1.0 1.8 4.08 53 53 A 27 ARG H A 26 ILE HD1% 1.0 1.8 4.54 54 54 A 28 LEU H A 27 ARG HBx 1.0 1.8 4.20 55 55 A 28 LEU H A 27 ARG HBy 1.0 1.8 4.20 56 56 A 27 ARG H A 28 LEU H 1.0 1.8 3.90 57 57 A 28 LEU H A 29 GLU H 1.0 1.8 3.26 58 58 A 29 GLU H A 29 GLU HGy 1.0 1.8 4.03 59 59 A 29 GLU H A 30 LYS H 1.0 1.8 3.22 60 60 A 30 LYS HA A 31 ALA H 1.0 1.8 3.51 61 61 A 30 LYS H A 31 ALA H 1.0 1.8 3.51 62 62 A 31 ALA HB% A 32 ARG H 1.0 1.8 3.25 63 63 A 33 HIS H A 32 ARG HBx 1.0 1.8 3.99 64 64 A 33 HIS H A 32 ARG HBy 1.0 1.8 3.99 65 65 A 32 ARG H A 33 HIS H 1.0 1.8 3.18 66 66 A 34 GLY HAx A 35 SER H 1.0 1.8 3.35 67 67 A 35 SER HA A 36 CYS H 1.0 1.8 2.99 68 68 A 37 ASN H A 36 CYS HA 1.0 1.8 3.14 69 69 A 37 ASN H A 44 LYS H 1.0 1.8 4.38 70 70 A 38 TYR HA A 38 TYR HE% 1.0 1.8 4.75 71 71 A 38 TYR HA A 38 TYR HD% 1.0 1.8 3.31 72 72 A 38 TYR HA A 39 VAL H 1.0 1.8 3.16 73 73 A 39 VAL H A 38 TYR H 1.0 1.8 4.70 74 74 A 39 VAL HA A 40 PHE H 1.0 1.8 2.81 75 75 A 40 PHE H A 39 VAL HB 1.0 1.8 4.47 76 76 A 40 PHE H A 39 VAL HGx% 1.0 1.8 4.68 77 77 A 40 PHE H A 39 VAL HGy% 1.0 1.8 4.68 78 78 A 39 VAL H A 40 PHE H 1.0 1.8 4.54 79 79 A 40 PHE HA A 40 PHE HD% 1.0 1.8 3.56 80 80 A 40 PHE HA A 41 PRO HA 1.0 1.8 2.95 81 81 A 42 ALA HA A 43 HIS H 1.0 1.8 3.17 82 82 A 43 HIS H A 42 ALA HB% 1.0 1.8 3.61 83 83 A 43 HIS H A 42 ALA H 1.0 1.8 4.39 84 84 A 43 HIS HA A 43 HIS HD2 1.0 1.8 3.83 85 85 A 44 LYS H A 43 HIS HA 1.0 1.8 2.89 86 86 A 44 LYS H A 43 HIS HBx 1.0 1.8 4.56 87 87 A 44 LYS H A 43 HIS HBy 1.0 1.8 4.56 88 88 A 44 LYS H A 43 HIS H 1.0 1.8 4.80 89 89 A 44 LYS HA A 45 CYS H 1.0 1.8 3.05 90 90 A 45 CYS H A 44 LYS HBx 1.0 1.8 3.46 91 91 A 46 ILE H A 45 CYS HA 1.0 1.8 3.15 92 92 A 46 ILE H A 45 CYS H 1.0 1.8 4.82 93 93 A 46 ILE HA A 46 ILE HD1% 1.0 1.8 3.26 94 94 A 46 ILE H A 46 ILE HD1% 1.0 1.8 4.44 95 95 A 46 ILE HG2% A 47 CYS H 1.0 1.8 3.54 96 96 A 46 ILE HD1% A 47 CYS H 1.0 1.8 4.12 97 97 A 47 CYS HA A 48 TYR H 1.0 1.8 3.15 98 98 A 48 TYR H A 47 CYS HBy 1.0 1.8 3.74 99 99 A 48 TYR H A 48 TYR HD% 1.0 1.8 3.53 100 100 A 48 TYR HA A 49 PHE H 1.0 1.8 2.90 101 101 A 49 PHE H A 48 TYR HBy 1.0 1.8 4.57 102 102 A 49 PHE HA A 50 PRO HDx 1.0 1.8 3.33 103 103 A 49 PHE HA A 50 PRO HDy 1.0 1.8 3.25 104 104 A 50 PRO HA A 51 CYS H 1.0 1.8 2.78 105 105 A 4 CYS H A 3 LEU HBy 1.0 1.8 3.76 106 106 A 4 CYS H A 3 LEU HBx 1.0 1.8 4.24 107 107 A 4 CYS H A 3 LEU HG 1.0 1.8 5.48 108 108 A 4 CYS H A 3 LEU HA 1.0 1.8 2.84 109 109 A 2 LYS HA A 3 LEU H 1.0 1.8 2.74 110 110 A 1 GLN HA A 2 LYS H 1.0 1.8 3.05 111 111 A 34 GLY H A 33 HIS HBy 1.0 1.8 4.33 112 112 A 34 GLY H A 33 HIS HBx 1.0 1.8 4.33 113 113 A 34 GLY H A 33 HIS HA 1.0 1.8 3.31 114 114 A 35 SER H A 34 GLY H 1.0 1.8 4.92 115 115 A 3 LEU HG A 3 LEU H 1.0 1.8 4.23 116 116 A 9 GLY H A 8 SER HA 1.0 1.8 3.30 117 117 A 11 TRP H A 24 GLN HE2x 1.0 1.8 5.33 118 118 A 11 TRP H A 11 TRP HD1 1.0 1.8 5.41 119 119 A 11 TRP HD1 A 13 GLY H 1.0 1.8 5.47 120 120 A 15 CYS H A 14 VAL HA 1.0 1.8 3.02 121 121 A 18 ASN H A 18 ASN HD2x 1.0 1.8 5.04 122 122 A 18 ASN H A 18 ASN HD2y 1.0 1.8 5.04 123 123 A 23 ASN H A 22 LYS HDx 1.0 1.8 5.50 124 124 A 23 ASN H A 22 LYS HDy 1.0 1.8 5.50 125 125 A 33 HIS HE1 A 22 LYS HDx 1.0 1.8 4.70 126 126 A 33 HIS HE1 A 22 LYS HDy 1.0 1.8 4.70 127 127 A 34 GLY H A 22 LYS HA 1.0 1.8 4.24 128 128 A 34 GLY H A 22 LYS HGx 1.0 1.8 4.22 129 129 A 34 GLY H A 22 LYS HGy 1.0 1.8 4.22 130 130 A 34 GLY H A 22 LYS HBx 1.0 1.8 3.82 131 131 A 34 GLY H A 22 LYS HDx 1.0 1.8 5.50 132 132 A 34 GLY H A 22 LYS HDy 1.0 1.8 5.50 133 133 A 24 GLN H A 25 CYS H 1.0 1.8 3.25 134 134 A 29 GLU H A 29 GLU HGx 1.0 1.8 4.03 135 135 A 29 GLU H A 31 ALA H 1.0 1.8 4.64 136 136 A 34 GLY H A 33 HIS HE1 1.0 1.8 4.80 137 137 A 34 GLY H A 33 HIS HD2 1.0 1.8 4.65 138 138 A 48 TYR HD% A 33 HIS HD2 1.0 1.8 4.36 139 139 A 35 SER H A 36 CYS H 1.0 1.8 5.00 140 140 A 38 TYR HD% A 38 TYR H 1.0 1.8 4.57 141 141 A 44 LYS H A 45 CYS H 1.0 1.8 5.10 142 142 A 47 CYS H A 48 TYR H 1.0 1.8 5.26 143 143 A 48 TYR H A 49 PHE H 1.0 1.8 5.01 144 144 A 49 PHE H A 49 PHE HE% 1.0 1.8 5.43 145 145 A 49 PHE H A 49 PHE HD% 1.0 1.8 3.50 146 146 A 31 ALA H A 26 ILE HA 1.0 1.8 3.33 147 147 A 2 LYS HA A 3 LEU HDy% 1.0 1.8 5.25 148 148 A 2 LYS HA A 3 LEU HDx% 1.0 1.8 5.25 149 149 A 3 LEU HBx A 3 LEU H 1.0 1.8 3.24 150 150 A 3 LEU HBy A 3 LEU H 1.0 1.8 4.07 151 151 A 3 LEU H A 3 LEU HDx% 1.0 1.8 4.38 152 152 A 3 LEU H A 3 LEU HDy% 1.0 1.8 4.38 153 153 A 23 ASN HBx A 20 ALA HA 1.0 1.8 3.82 154 154 A 3 LEU HG A 2 LYS HA 1.0 1.8 5.50 155 155 A 3 LEU HA A 2 LYS HA 1.0 1.8 5.01 156 156 A 3 LEU HG A 3 LEU HA 1.0 1.8 4.17 157 157 A 3 LEU HA A 3 LEU HDx% 1.0 1.8 4.45 158 158 A 3 LEU HA A 3 LEU HDy% 1.0 1.8 4.45 159 159 A 3 LEU HBx A 3 LEU HDx% 1.0 1.8 4.03 160 160 A 3 LEU HBy A 3 LEU HDx% 1.0 1.8 3.46 161 161 A 3 LEU HBy A 3 LEU HDy% 1.0 1.8 3.46 162 162 A 4 CYS H A 48 TYR HBx 1.0 1.8 4.80 163 163 A 4 CYS H A 49 PHE HBy 1.0 1.8 5.27 164 164 A 4 CYS H A 51 CYS HBx 1.0 1.8 5.50 165 165 A 4 CYS H A 51 CYS HBy 1.0 1.8 5.50 166 166 A 4 CYS H A 50 PRO HA 1.0 1.8 4.57 167 167 A 4 CYS H A 48 TYR HA 1.0 1.8 4.72 168 168 A 4 CYS H A 48 TYR HD% 1.0 1.8 5.34 169 169 A 4 CYS H A 49 PHE HD% 1.0 1.8 5.50 170 170 A 4 CYS H A 49 PHE H 1.0 1.8 3.80 171 171 A 4 CYS H A 3 LEU H 1.0 1.8 5.01 172 172 A 4 CYS H A 51 CYS H 1.0 1.8 4.49 173 173 A 5 GLN H A 48 TYR HD% 1.0 1.8 4.88 174 174 A 5 GLN HA A 46 ILE HG2% 1.0 1.8 3.87 175 175 A 6 ARG H A 46 ILE HD1% 1.0 1.8 5.50 176 176 A 37 ASN H A 46 ILE HD1% 1.0 1.8 5.50 177 177 A 6 ARG H A 46 ILE HG2% 1.0 1.8 3.50 178 178 A 6 ARG H A 6 ARG HBy 1.0 1.8 4.13 179 179 A 6 ARG H A 46 ILE HB 1.0 1.8 5.03 180 180 A 6 ARG H A 5 GLN HGx 1.0 1.8 5.50 181 181 A 6 ARG H A 5 GLN HGy 1.0 1.8 5.50 182 182 A 6 ARG H A 6 ARG HBx 1.0 1.8 4.13 183 183 A 6 ARG H A 47 CYS HBx 1.0 1.8 4.69 184 184 A 6 ARG H A 7 PRO HDx 1.0 1.8 5.26 185 185 A 6 ARG H A 7 PRO HDy 1.0 1.8 5.26 186 186 A 6 ARG H A 46 ILE HA 1.0 1.8 5.02 187 187 A 6 ARG H A 48 TYR HA 1.0 1.8 4.24 188 188 A 6 ARG H A 48 TYR HD% 1.0 1.8 5.39 189 189 A 6 ARG H A 49 PHE HE% 1.0 1.8 5.50 190 190 A 6 ARG H A 5 GLN HE2x 1.0 1.8 5.25 191 191 A 6 ARG H A 49 PHE HD% 1.0 1.8 4.54 192 192 A 6 ARG H A 47 CYS H 1.0 1.8 3.99 193 193 A 10 THR HG2% A 9 GLY H 1.0 1.8 4.86 194 194 A 10 THR H A 8 SER HA 1.0 1.8 4.45 195 195 A 26 ILE H A 28 LEU H 1.0 1.8 5.01 196 196 A 11 TRP H A 11 TRP HBy 1.0 1.8 3.50 197 197 A 11 TRP H A 24 GLN HE2y 1.0 1.8 5.33 198 198 A 11 TRP HD1 A 45 CYS HBx 1.0 1.8 4.48 199 199 A 11 TRP HD1 A 45 CYS HBy 1.0 1.8 4.48 200 200 A 11 TRP HA A 12 SER HA 1.0 1.8 4.63 201 201 A 14 VAL H A 14 VAL HGx% 1.0 1.8 3.95 202 202 A 14 VAL H A 14 VAL HGy% 1.0 1.8 3.95 203 203 A 14 VAL H A 14 VAL HB 1.0 1.8 3.69 204 204 A 28 LEU H A 30 LYS H 1.0 1.8 4.44 205 205 A 14 VAL HA A 14 VAL HGx% 1.0 1.8 3.56 206 206 A 14 VAL HA A 14 VAL HGy% 1.0 1.8 3.56 207 207 A 32 ARG H A 49 PHE HA 1.0 1.8 4.16 208 208 A 43 HIS HA A 44 LYS HBy 1.0 1.8 5.10 209 209 A 31 ALA HB% A 49 PHE HA 1.0 1.8 4.54 210 210 A 17 ASN HD2x A 20 ALA HB% 1.0 1.8 4.42 211 211 A 20 ALA HB% A 17 ASN HD2y 1.0 1.8 4.42 212 212 A 18 ASN H A 18 ASN HBy 1.0 1.8 3.96 213 213 A 18 ASN H A 19 ASN HA 1.0 1.8 5.46 214 214 A 18 ASN H A 20 ALA H 1.0 1.8 5.36 215 215 A 38 TYR HA A 39 VAL HGx% 1.0 1.8 4.99 216 216 A 38 TYR HA A 39 VAL HGy% 1.0 1.8 4.99 217 217 A 19 ASN H A 20 ALA HB% 1.0 1.8 4.68 218 218 A 17 ASN HA A 19 ASN H 1.0 1.8 4.67 219 219 A 19 ASN H A 19 ASN HD2x 1.0 1.8 5.22 220 220 A 20 ALA H A 20 ALA HB% 1.0 1.8 3.07 221 221 A 20 ALA H A 22 LYS HBx 1.0 1.8 5.50 222 222 A 20 ALA H A 22 LYS HBy 1.0 1.8 5.50 223 223 A 20 ALA H A 17 ASN HBx 1.0 1.8 3.90 224 224 A 21 CYS H A 22 LYS HBx 1.0 1.8 5.48 225 225 A 21 CYS H A 22 LYS HBy 1.0 1.8 5.50 226 226 A 21 CYS H A 21 CYS HBx 1.0 1.8 3.80 227 227 A 21 CYS H A 21 CYS HBy 1.0 1.8 3.80 228 228 A 51 CYS H A 51 CYS HBy 1.0 1.8 4.10 229 229 A 22 LYS H A 22 LYS HBx 1.0 1.8 3.14 230 230 A 22 LYS H A 22 LYS HBy 1.0 1.8 3.34 231 231 A 20 ALA H A 22 LYS H 1.0 1.8 5.50 232 232 A 25 CYS HBy A 22 LYS HA 1.0 1.8 5.07 233 233 A 23 ASN H A 26 ILE HD1% 1.0 1.8 5.19 234 234 A 23 ASN H A 23 ASN HBy 1.0 1.8 3.21 235 235 A 23 ASN H A 23 ASN HBx 1.0 1.8 3.61 236 236 A 23 ASN H A 20 ALA HA 1.0 1.8 4.17 237 237 A 23 ASN H A 23 ASN HD2y 1.0 1.8 5.50 238 238 A 21 CYS H A 23 ASN H 1.0 1.8 5.02 239 239 A 23 ASN H A 23 ASN HD2x 1.0 1.8 4.76 240 240 A 23 ASN H A 25 CYS H 1.0 1.8 5.48 241 241 A 23 ASN HA A 23 ASN HD2x 1.0 1.8 5.23 242 242 A 20 ALA HA A 23 ASN HD2x 1.0 1.8 4.46 243 243 A 23 ASN HA A 23 ASN HD2y 1.0 1.8 5.13 244 244 A 23 ASN HD2y A 20 ALA HA 1.0 1.8 5.50 245 245 A 23 ASN HA A 24 GLN HA 1.0 1.8 4.98 246 246 A 23 ASN HA A 22 LYS HA 1.0 1.8 5.08 247 247 A 23 ASN HA A 26 ILE HB 1.0 1.8 3.70 248 248 A 23 ASN HA A 26 ILE HG1y 1.0 1.8 4.86 249 249 A 23 ASN HA A 26 ILE HG2% 1.0 1.8 4.50 250 250 A 23 ASN HA A 26 ILE HD1% 1.0 1.8 3.59 251 251 A 24 GLN H A 20 ALA HA 1.0 1.8 4.92 252 252 A 24 GLN HA A 24 GLN HGx 1.0 1.8 3.70 253 253 A 24 GLN HA A 24 GLN HGy 1.0 1.8 3.70 254 254 A 46 ILE H A 46 ILE HB 1.0 1.8 3.47 255 255 A 26 ILE HD1% A 25 CYS H 1.0 1.8 4.47 256 256 A 25 CYS HBx A 25 CYS H 1.0 1.8 3.33 257 257 A 22 LYS HA A 25 CYS H 1.0 1.8 4.55 258 258 A 23 ASN HA A 25 CYS H 1.0 1.8 5.34 259 259 A 31 ALA HB% A 25 CYS HA 1.0 1.8 4.80 260 260 A 26 ILE H A 26 ILE HG2% 1.0 1.8 3.77 261 261 A 26 ILE H A 26 ILE HD1% 1.0 1.8 3.20 262 262 A 26 ILE H A 26 ILE HB 1.0 1.8 3.13 263 263 A 25 CYS HBy A 26 ILE HA 1.0 1.8 4.69 264 264 A 26 ILE HG1y A 26 ILE HA 1.0 1.8 3.99 265 265 A 26 ILE HG2% A 26 ILE HA 1.0 1.8 3.24 266 266 A 26 ILE HA A 26 ILE HG1x 1.0 1.8 3.20 267 267 A 27 ARG H A 26 ILE HG1y 1.0 1.8 4.64 268 268 A 27 ARG H A 27 ARG HBx 1.0 1.8 3.81 269 269 A 27 ARG H A 27 ARG HBy 1.0 1.8 3.81 270 270 A 23 ASN HA A 27 ARG H 1.0 1.8 4.58 271 271 A 27 ARG H A 29 GLU H 1.0 1.8 5.05 272 272 A 27 ARG HA A 27 ARG HDy 1.0 1.8 4.42 273 273 A 27 ARG HA A 27 ARG HGx 1.0 1.8 3.85 274 274 A 27 ARG HA A 27 ARG HGy 1.0 1.8 3.85 275 275 A 26 ILE HG2% A 27 ARG HA 1.0 1.8 3.97 276 276 A 28 LEU H A 31 ALA HB% 1.0 1.8 5.50 277 277 A 31 ALA HB% A 47 CYS H 1.0 1.8 5.50 278 278 A 28 LEU H A 28 LEU HG 1.0 1.8 4.38 279 279 A 25 CYS HBy A 28 LEU H 1.0 1.8 5.23 280 280 A 47 CYS H A 47 CYS HBx 1.0 1.8 3.67 281 281 A 47 CYS H A 7 PRO HA 1.0 1.8 4.05 282 282 A 47 CYS H A 48 TYR HD% 1.0 1.8 5.43 283 283 A 28 LEU HA A 28 LEU HDx% 1.0 1.8 4.17 284 284 A 28 LEU HA A 28 LEU HDy% 1.0 1.8 4.17 285 285 A 29 GLU H A 25 CYS HA 1.0 1.8 3.69 286 286 A 29 GLU H A 27 ARG HA 1.0 1.8 5.44 287 287 A 10 THR HG2% A 29 GLU HA 1.0 1.8 4.99 288 288 A 31 ALA H A 31 ALA HB% 1.0 1.8 3.14 289 289 A 31 ALA H A 30 LYS HBx 1.0 1.8 5.23 290 290 A 31 ALA H A 30 LYS HBy 1.0 1.8 5.23 291 291 A 31 ALA H A 47 CYS HBy 1.0 1.8 4.96 292 292 A 32 ARG H A 50 PRO HDy 1.0 1.8 4.46 293 293 A 32 ARG H A 49 PHE HD% 1.0 1.8 5.06 294 294 A 31 ALA HA A 32 ARG HA 1.0 1.8 5.05 295 295 A 32 ARG HA A 32 ARG HDx 1.0 1.8 4.03 296 296 A 32 ARG HA A 32 ARG HDy 1.0 1.8 4.03 297 297 A 26 ILE HG1x A 32 ARG HA 1.0 1.8 4.63 298 298 A 31 ALA HB% A 32 ARG HA 1.0 1.8 4.97 299 299 A 31 ALA HB% A 33 HIS H 1.0 1.8 3.27 300 300 A 26 ILE HG1y A 33 HIS H 1.0 1.8 5.05 301 301 A 33 HIS H A 48 TYR HBx 1.0 1.8 4.64 302 302 A 33 HIS H A 48 TYR HBy 1.0 1.8 3.83 303 303 A 33 HIS H A 33 HIS HBy 1.0 1.8 4.09 304 304 A 33 HIS H A 33 HIS HBx 1.0 1.8 4.09 305 305 A 33 HIS H A 50 PRO HDy 1.0 1.8 5.50 306 306 A 33 HIS H A 31 ALA HA 1.0 1.8 4.47 307 307 A 33 HIS H A 47 CYS HA 1.0 1.8 5.05 308 308 A 33 HIS H A 34 GLY HAx 1.0 1.8 5.46 309 309 A 33 HIS H A 48 TYR HA 1.0 1.8 5.50 310 310 A 33 HIS H A 48 TYR HD% 1.0 1.8 4.97 311 311 A 33 HIS H A 48 TYR H 1.0 1.8 3.98 312 312 A 26 ILE HG1y A 33 HIS HA 1.0 1.8 4.40 313 313 A 33 HIS HA A 22 LYS HGx 1.0 1.8 4.57 314 314 A 33 HIS HA A 22 LYS HGy 1.0 1.8 4.57 315 315 A 26 ILE HD1% A 33 HIS HA 1.0 1.8 3.42 316 316 A 33 HIS HA A 33 HIS HE1 1.0 1.8 5.47 317 317 A 26 ILE HD1% A 34 GLY H 1.0 1.8 4.50 318 318 A 34 GLY HAx A 22 LYS HA 1.0 1.8 4.06 319 319 A 22 LYS HA A 34 GLY HAy 1.0 1.8 3.47 320 320 A 35 SER H A 46 ILE HG2% 1.0 1.8 5.28 321 321 A 35 SER H A 46 ILE HB 1.0 1.8 4.56 322 322 A 35 SER H A 22 LYS HA 1.0 1.8 5.16 323 323 A 35 SER H A 45 CYS HA 1.0 1.8 5.11 324 324 A 35 SER H A 47 CYS HA 1.0 1.8 4.53 325 325 A 46 ILE H A 35 SER H 1.0 1.8 3.99 326 326 A 50 PRO HDx A 49 PHE HBy 1.0 1.8 4.18 327 327 A 35 SER HA A 36 CYS HA 1.0 1.8 4.83 328 328 A 9 GLY H A 8 SER H 1.0 1.8 5.33 329 329 A 9 GLY H A 11 TRP H 1.0 1.8 5.04 330 330 A 8 SER H A 7 PRO HBy 1.0 1.8 4.17 331 331 A 8 SER H A 7 PRO HBx 1.0 1.8 4.17 332 332 A 26 ILE HB A 31 ALA H 1.0 1.8 5.26 333 333 A 19 ASN H A 19 ASN HD2y 1.0 1.8 5.22 334 334 A 38 TYR H A 38 TYR HBy 1.0 1.8 3.56 335 335 A 38 TYR H A 38 TYR HBx 1.0 1.8 3.56 336 336 A 44 LYS H A 43 HIS HD2 1.0 1.8 4.99 337 337 A 39 VAL H A 39 VAL HGx% 1.0 1.8 4.67 338 338 A 39 VAL H A 39 VAL HGy% 1.0 1.8 4.67 339 339 A 39 VAL H A 39 VAL HB 1.0 1.8 3.75 340 340 A 39 VAL H A 38 TYR HBy 1.0 1.8 4.87 341 341 A 39 VAL H A 38 TYR HBx 1.0 1.8 4.87 342 342 A 39 VAL H A 43 HIS HA 1.0 1.8 5.05 343 343 A 38 TYR HD% A 39 VAL H 1.0 1.8 4.50 344 344 A 39 VAL H A 43 HIS HD2 1.0 1.8 5.26 345 345 A 39 VAL H A 42 ALA H 1.0 1.8 5.50 346 346 A 39 VAL H A 43 HIS H 1.0 1.8 5.50 347 347 A 40 PHE H A 40 PHE HD% 1.0 1.8 4.33 348 348 A 38 TYR HE% A 40 PHE H 1.0 1.8 5.50 349 349 A 38 TYR HD% A 40 PHE H 1.0 1.8 5.33 350 350 A 41 PRO HA A 40 PHE HBx 1.0 1.8 4.11 351 351 A 41 PRO HA A 40 PHE HBy 1.0 1.8 4.11 352 352 A 40 PHE HA A 42 ALA H 1.0 1.8 3.93 353 353 A 43 HIS H A 43 HIS HBy 1.0 1.8 4.08 354 354 A 43 HIS H A 43 HIS HBx 1.0 1.8 4.08 355 355 A 44 LYS HA A 44 LYS HGx 1.0 1.8 4.23 356 356 A 44 LYS HA A 44 LYS HGy 1.0 1.8 4.23 357 357 A 44 LYS H A 44 LYS HBy 1.0 1.8 3.54 358 358 A 44 LYS H A 44 LYS HDx 1.0 1.8 5.50 359 359 A 44 LYS H A 44 LYS HDy 1.0 1.8 5.50 360 360 A 44 LYS H A 44 LYS HBx 1.0 1.8 3.98 361 361 A 11 TRP HD1 A 45 CYS H 1.0 1.8 4.94 362 362 A 46 ILE HD1% A 46 ILE HG2% 1.0 1.8 3.18 363 363 A 46 ILE HD1% A 46 ILE HB 1.0 1.8 4.01 364 364 A 46 ILE HA A 46 ILE HG2% 1.0 1.8 3.45 365 365 A 46 ILE H A 46 ILE HG2% 1.0 1.8 4.15 366 366 A 25 CYS H A 26 ILE HA 1.0 1.8 5.50 367 367 A 46 ILE H A 36 CYS HA 1.0 1.8 4.23 368 368 A 46 ILE H A 47 CYS H 1.0 1.8 5.50 369 369 A 31 ALA HB% A 47 CYS HA 1.0 1.8 4.05 370 370 A 25 CYS HBx A 47 CYS HA 1.0 1.8 5.18 371 371 A 46 ILE HA A 47 CYS HA 1.0 1.8 4.86 372 372 A 48 TYR HA A 5 GLN HBx 1.0 1.8 5.50 373 373 A 48 TYR HA A 5 GLN HBy 1.0 1.8 5.50 374 374 A 31 ALA HB% A 48 TYR H 1.0 1.8 3.64 375 375 A 48 TYR H A 48 TYR HBy 1.0 1.8 3.59 376 376 A 47 CYS HA A 48 TYR HD% 1.0 1.8 3.81 377 377 A 34 GLY HAx A 48 TYR HD% 1.0 1.8 3.26 378 378 A 49 PHE H A 3 LEU HBy 1.0 1.8 4.46 379 379 A 49 PHE H A 49 PHE HBy 1.0 1.8 3.32 380 380 A 49 PHE H A 49 PHE HBx 1.0 1.8 3.87 381 381 A 49 PHE H A 4 CYS HBx 1.0 1.8 5.50 382 382 A 49 PHE H A 4 CYS HBy 1.0 1.8 5.50 383 383 A 49 PHE H A 3 LEU HA 1.0 1.8 4.54 384 384 A 48 TYR HD% A 49 PHE H 1.0 1.8 5.04 385 385 A 48 TYR HA A 49 PHE HD% 1.0 1.8 3.87 386 386 A 49 PHE HA A 49 PHE HE% 1.0 1.8 4.90 387 387 A 49 PHE H A 50 PRO HDx 1.0 1.8 4.98 388 388 A 49 PHE H A 50 PRO HDy 1.0 1.8 5.07 389 389 A 51 CYS H A 51 CYS HBx 1.0 1.8 4.10 390 390 A 51 CYS H A 3 LEU HA 1.0 1.8 3.74 391 391 A 30 LYS H A 30 LYS HA 1.0 1.8 2.85 392 392 A 22 LYS HBy A 19 ASN HA 1.0 1.8 3.32 393 393 A 22 LYS H A 23 ASN HBy 1.0 1.8 5.50 394 394 A 22 LYS H A 25 CYS HBx 1.0 1.8 5.50 395 395 A 4 CYS H A 49 PHE HBx 1.0 1.8 5.50 396 396 A 4 CYS H A 5 GLN HA 1.0 1.8 5.50 397 397 A 4 CYS H A 51 CYS HA 1.0 1.8 5.50 398 398 A 5 GLN H A 48 TYR HA 1.0 1.8 5.22 399 399 A 5 GLN HA A 48 TYR HA 1.0 1.8 3.52 400 400 A 46 ILE HD1% A 7 PRO HA 1.0 1.8 3.27 401 401 A 46 ILE HG2% A 7 PRO HA 1.0 1.8 4.25 402 402 A 10 THR HA A 10 THR HG2% 1.0 1.8 3.29 403 403 A 10 THR HG2% A 28 LEU HBy 1.0 1.8 3.79 404 404 A 10 THR HG2% A 29 GLU HGx 1.0 1.8 4.68 405 405 A 10 THR HG2% A 29 GLU HGy 1.0 1.8 4.68 406 406 A 10 THR HG2% A 28 LEU HBx 1.0 1.8 3.79 407 407 A 10 THR HG2% A 8 SER HA 1.0 1.8 5.50 408 408 A 26 ILE HB A 26 ILE HD1% 1.0 1.8 3.08 409 409 A 26 ILE HG1y A 26 ILE HG2% 1.0 1.8 3.63 410 410 A 26 ILE HB A 30 LYS HA 1.0 1.8 5.02 411 411 A 30 LYS H A 30 LYS HGy 1.0 1.8 4.32 412 412 A 30 LYS H A 30 LYS HGx 1.0 1.8 4.32 413 413 A 29 GLU H A 30 LYS HGy 1.0 1.8 5.50 414 414 A 29 GLU H A 30 LYS HGx 1.0 1.8 5.50 415 415 A 30 LYS H A 26 ILE HA 1.0 1.8 4.45 416 416 A 32 ARG HA A 32 ARG HE 1.0 1.8 4.71 417 417 A 47 CYS HA A 34 GLY HAy 1.0 1.8 4.17 418 418 A 34 GLY HAx A 47 CYS HA 1.0 1.8 3.74 419 419 A 25 CYS HBx A 34 GLY H 1.0 1.8 5.50 420 420 A 35 SER HA A 34 GLY H 1.0 1.8 5.47 421 421 A 41 PRO HA A 40 PHE HE% 1.0 1.8 4.22 422 422 A 40 PHE HD% A 41 PRO HA 1.0 1.8 3.56 423 423 A 49 PHE HE% A 47 CYS HBx 1.0 1.8 3.23 424 424 A 50 PRO HDy A 49 PHE HBx 1.0 1.8 4.08 425 425 A 45 CYS HA A 46 ILE HB 1.0 1.8 4.88 426 426 A 28 LEU HG A 28 LEU HA 1.0 1.8 3.83 427 427 A 36 CYS HA A 45 CYS HA 1.0 1.8 3.64 428 428 A 36 CYS HA A 37 ASN HA 1.0 1.8 5.04 429 429 A 45 CYS H A 46 ILE HD1% 1.0 1.8 5.25 430 430 A 44 LYS HA A 46 ILE HD1% 1.0 1.8 5.06 431 431 A 46 ILE HD1% A 37 ASN HBx 1.0 1.8 5.50 432 432 A 46 ILE HD1% A 37 ASN HBy 1.0 1.8 5.50 433 433 A 46 ILE HG2% A 47 CYS HBy 1.0 1.8 5.50 434 434 A 46 ILE HG2% A 47 CYS HA 1.0 1.8 4.96 435 435 A 46 ILE HG2% A 48 TYR HA 1.0 1.8 4.71 436 436 A 25 CYS HBy A 47 CYS HA 1.0 1.8 4.74 437 437 A 48 TYR H A 34 GLY HAy 1.0 1.8 4.77 438 438 A 48 TYR HD% A 3 LEU HBy 1.0 1.8 3.74 439 439 A 48 TYR HD% A 3 LEU HBx 1.0 1.8 3.81 440 440 A 48 TYR HD% A 22 LYS HA 1.0 1.8 5.50 441 441 A 48 TYR HD% A 34 GLY HAy 1.0 1.8 3.84 442 442 A 5 GLN HA A 48 TYR HD% 1.0 1.8 4.54 443 443 A 48 TYR HE% A 5 GLN HGy 1.0 1.8 5.50 444 444 A 48 TYR HA A 49 PHE HE% 1.0 1.8 5.43 445 445 A 46 ILE HG2% A 48 TYR H 1.0 1.8 5.28 446 446 A 46 ILE HG2% A 8 SER H 1.0 1.8 4.92 447 447 A 42 ALA HB% A 42 ALA H 1.0 1.8 3.29 448 448 A 2 LYS H A 2 LYS HGx 1.0 1.8 5.50 449 449 A 2 LYS H A 2 LYS HGy 1.0 1.8 5.50 450 450 A 48 TYR HD% A 34 GLY H 1.0 1.8 4.77 451 451 A 50 PRO HDx A 49 PHE HD% 1.0 1.8 3.71 452 452 A 49 PHE HD% A 31 ALA HA 1.0 1.8 4.25 453 453 A 50 PRO HDy A 49 PHE HD% 1.0 1.8 4.03 454 454 A 38 TYR HE% A 40 PHE HA 1.0 1.8 5.37 455 455 A 38 TYR HD% A 40 PHE HA 1.0 1.8 5.50 456 456 A 49 PHE HE% A 6 ARG HBx 1.0 1.8 4.36 457 457 A 17 ASN H A 20 ALA HB% 1.0 1.8 4.06 458 458 A 46 ILE HD1% A 5 GLN HE2x 1.0 1.8 4.91 459 459 A 46 ILE HG2% A 5 GLN HE2x 1.0 1.8 4.17 460 460 A 31 ALA HB% A 49 PHE HE% 1.0 1.8 3.70 461 461 A 46 ILE HD1% A 11 TRP HZ3 1.0 1.8 4.63 462 462 A 46 ILE HG2% A 11 TRP HZ3 1.0 1.8 5.50 463 463 A 25 CYS HBx A 26 ILE HG1y 1.0 1.8 4.63 464 464 A 3 LEU HBx A 48 TYR HBx 1.0 1.8 4.15 465 465 A 31 ALA HB% A 47 CYS HBy 1.0 1.8 3.14 466 466 A 25 CYS HBy A 31 ALA HB% 1.0 1.8 3.01 467 467 A 3 LEU HBy A 48 TYR HBx 1.0 1.8 3.69 468 468 A 3 LEU HBx A 3 LEU HDy% 1.0 1.8 4.03 469 469 A 50 PRO HA A 3 LEU HA 1.0 1.8 4.39 470 470 A 10 THR HG2% A 28 LEU HA 1.0 1.8 5.29 471 471 A 27 ARG HA A 27 ARG HDx 1.0 1.8 4.42 472 472 A 11 TRP HD1 A 44 LYS HBx 1.0 1.8 5.50 473 473 A 23 ASN HBy A 20 ALA HA 1.0 1.8 4.71 474 474 A 31 ALA HB% A 26 ILE HA 1.0 1.8 3.93 475 475 A 30 LYS HA A 30 LYS HDx 1.0 1.8 5.22 476 476 A 30 LYS HA A 30 LYS HDy 1.0 1.8 5.22 477 477 A 49 PHE HA A 31 ALA HA 1.0 1.8 4.58 478 478 A 48 TYR HE% A 5 GLN HGx 1.0 1.8 5.50 479 479 A 49 PHE HA A 49 PHE HD% 1.0 1.8 3.93 480 480 A 49 PHE HE% A 6 ARG HA 1.0 1.8 5.44 481 481 A 5 GLN HA A 49 PHE HD% 1.0 1.8 5.24 482 482 A 50 PRO HDx A 49 PHE HE% 1.0 1.8 5.42 483 483 A 49 PHE HE% A 31 ALA HA 1.0 1.8 4.17 484 484 A 47 CYS HBy A 49 PHE HE% 1.0 1.8 4.05 485 485 A 5 GLN HE2x A 37 ASN HBx 1.0 1.8 5.50 486 486 A 5 GLN HE2x A 37 ASN HBy 1.0 1.8 5.50 487 487 A 49 PHE HE% A 6 ARG HBy 1.0 1.8 4.36 488 488 A 31 ALA HB% A 49 PHE HD% 1.0 1.8 4.38 489 489 A 11 TRP HD1 A 12 SER HA 1.0 1.8 5.23 490 490 A 25 CYS HBx A 26 ILE HD1% 1.0 1.8 4.14 491 491 A 25 CYS HBx A 31 ALA HB% 1.0 1.8 4.36 492 492 A 30 LYS HA A 31 ALA HB% 1.0 1.8 4.43 493 493 A 1 GLN HA A 1 GLN HGx 1.0 1.8 3.68 494 493 A 1 GLN HA A 1 GLN HGy 1.0 1.8 3.68 495 494 A 1 GLN HBx A 1 GLN HE2y 1.0 1.8 4.57 496 494 A 1 GLN HBy A 1 GLN HE2y 1.0 1.8 4.57 497 494 A 1 GLN HE2x A 1 GLN HBx 1.0 1.8 4.57 498 494 A 1 GLN HBy A 1 GLN HE2x 1.0 1.8 4.57 499 495 A 2 LYS H A 1 GLN HBx 1.0 1.8 4.36 500 495 A 2 LYS H A 1 GLN HBy 1.0 1.8 4.36 501 496 A 2 LYS H A 1 GLN HGx 1.0 1.8 4.59 502 496 A 2 LYS H A 1 GLN HGy 1.0 1.8 4.59 503 497 A 2 LYS H A 2 LYS HBx 1.0 1.8 3.16 504 497 A 2 LYS H A 2 LYS HBy 1.0 1.8 3.16 505 498 A 2 LYS H A 2 LYS HGy 1.0 1.8 4.77 506 498 A 2 LYS H A 2 LYS HGx 1.0 1.8 4.77 507 499 A 2 LYS HA A 2 LYS HDx 1.0 1.8 5.16 508 499 A 2 LYS HA A 2 LYS HDy 1.0 1.8 5.16 509 500 A 2 LYS HA A 3 LEU HDx% 1.0 1.8 4.55 510 500 A 2 LYS HA A 3 LEU HDy% 1.0 1.8 4.55 511 501 A 3 LEU H A 2 LYS HGy 1.0 1.8 5.34 512 501 A 3 LEU H A 2 LYS HGx 1.0 1.8 5.34 513 502 A 3 LEU HA A 3 LEU HDx% 1.0 1.8 3.07 514 502 A 3 LEU HA A 3 LEU HDy% 1.0 1.8 3.07 515 503 A 3 LEU HBx A 3 LEU HDx% 1.0 1.8 3.06 516 503 A 3 LEU HBx A 3 LEU HDy% 1.0 1.8 3.06 517 504 A 4 CYS H A 3 LEU HDx% 1.0 1.8 3.98 518 504 A 4 CYS H A 3 LEU HDy% 1.0 1.8 3.98 519 505 A 32 ARG H A 3 LEU HDx% 1.0 1.8 5.29 520 505 A 32 ARG H A 3 LEU HDy% 1.0 1.8 5.29 521 506 A 3 LEU HDx% A 32 ARG HGx 1.0 1.8 3.59 522 506 A 3 LEU HDy% A 32 ARG HGx 1.0 1.8 3.59 523 506 A 32 ARG HGy A 3 LEU HDx% 1.0 1.8 3.59 524 506 A 3 LEU HDy% A 32 ARG HGy 1.0 1.8 3.59 525 507 A 33 HIS HD2 A 3 LEU HDx% 1.0 1.8 4.71 526 507 A 33 HIS HD2 A 3 LEU HDy% 1.0 1.8 4.71 527 508 A 48 TYR HD% A 3 LEU HDx% 1.0 1.8 4.15 528 508 A 48 TYR HD% A 3 LEU HDy% 1.0 1.8 4.15 529 509 A 49 PHE H A 3 LEU HDx% 1.0 1.8 4.86 530 509 A 49 PHE H A 3 LEU HDy% 1.0 1.8 4.86 531 510 A 50 PRO HDx A 3 LEU HDx% 1.0 1.8 5.44 532 510 A 50 PRO HDx A 3 LEU HDy% 1.0 1.8 5.44 533 511 A 51 CYS H A 3 LEU HDx% 1.0 1.8 4.02 534 511 A 51 CYS H A 3 LEU HDy% 1.0 1.8 4.02 535 512 A 4 CYS H A 4 CYS HBy 1.0 1.8 3.14 536 512 A 4 CYS H A 4 CYS HBx 1.0 1.8 3.14 537 513 A 4 CYS H A 51 CYS HBx 1.0 1.8 4.83 538 513 A 4 CYS H A 51 CYS HBy 1.0 1.8 4.83 539 514 A 4 CYS HA A 5 GLN HBx 1.0 1.8 4.77 540 514 A 4 CYS HA A 5 GLN HBy 1.0 1.8 4.77 541 515 A 5 GLN H A 4 CYS HBy 1.0 1.8 3.60 542 515 A 5 GLN H A 4 CYS HBx 1.0 1.8 3.60 543 516 A 51 CYS HA A 4 CYS HBy 1.0 1.8 5.32 544 516 A 51 CYS HA A 4 CYS HBx 1.0 1.8 5.32 545 517 A 4 CYS HBx A 51 CYS HBx 1.0 1.8 5.04 546 517 A 4 CYS HBy A 51 CYS HBx 1.0 1.8 5.04 547 517 A 51 CYS HBy A 4 CYS HBy 1.0 1.8 5.04 548 517 A 4 CYS HBx A 51 CYS HBy 1.0 1.8 5.04 549 518 A 5 GLN H A 5 GLN HBx 1.0 1.8 2.96 550 518 A 5 GLN H A 5 GLN HBy 1.0 1.8 2.96 551 519 A 5 GLN HBy A 5 GLN HGy 1.0 1.8 2.34 552 519 A 5 GLN HBx A 5 GLN HGy 1.0 1.8 2.34 553 519 A 5 GLN HGx A 5 GLN HBx 1.0 1.8 2.34 554 519 A 5 GLN HBy A 5 GLN HGx 1.0 1.8 2.34 555 520 A 5 GLN HE2x A 5 GLN HBx 1.0 1.8 3.90 556 520 A 5 GLN HE2x A 5 GLN HBy 1.0 1.8 3.90 557 521 A 5 GLN HE2y A 5 GLN HBx 1.0 1.8 4.29 558 521 A 5 GLN HBy A 5 GLN HE2y 1.0 1.8 4.29 559 522 A 6 ARG H A 5 GLN HBx 1.0 1.8 3.41 560 522 A 6 ARG H A 5 GLN HBy 1.0 1.8 3.41 561 523 A 46 ILE HG2% A 5 GLN HBx 1.0 1.8 2.87 562 523 A 46 ILE HG2% A 5 GLN HBy 1.0 1.8 2.87 563 524 A 48 TYR HD% A 5 GLN HBx 1.0 1.8 4.08 564 524 A 48 TYR HD% A 5 GLN HBy 1.0 1.8 4.08 565 525 A 5 GLN HE2x A 37 ASN HBy 1.0 1.8 4.75 566 525 A 5 GLN HE2x A 37 ASN HBx 1.0 1.8 4.75 567 526 A 5 GLN HE2x A 46 ILE HG1x 1.0 1.8 4.15 568 526 A 5 GLN HE2x A 46 ILE HG1y 1.0 1.8 4.15 569 527 A 6 ARG H A 7 PRO HDx 1.0 1.8 4.54 570 527 A 6 ARG H A 7 PRO HDy 1.0 1.8 4.54 571 528 A 6 ARG H A 46 ILE HG1x 1.0 1.8 5.34 572 528 A 6 ARG H A 46 ILE HG1y 1.0 1.8 5.34 573 529 A 6 ARG HA A 7 PRO HGx 1.0 1.8 4.35 574 529 A 6 ARG HA A 7 PRO HGy 1.0 1.8 4.35 575 530 A 6 ARG HA A 7 PRO HDx 1.0 1.8 3.23 576 530 A 6 ARG HA A 7 PRO HDy 1.0 1.8 3.23 577 531 A 6 ARG HBy A 6 ARG HDx 1.0 1.8 3.25 578 531 A 6 ARG HBx A 6 ARG HDx 1.0 1.8 3.25 579 531 A 6 ARG HDy A 6 ARG HBy 1.0 1.8 3.25 580 531 A 6 ARG HBx A 6 ARG HDy 1.0 1.8 3.25 581 532 A 6 ARG HE A 6 ARG HBy 1.0 1.8 4.42 582 532 A 6 ARG HE A 6 ARG HBx 1.0 1.8 4.42 583 533 A 6 ARG HBx A 7 PRO HDx 1.0 1.8 4.54 584 533 A 6 ARG HBy A 7 PRO HDx 1.0 1.8 4.54 585 533 A 7 PRO HDy A 6 ARG HBy 1.0 1.8 4.54 586 533 A 7 PRO HDy A 6 ARG HBx 1.0 1.8 4.54 587 534 A 49 PHE HD% A 6 ARG HBy 1.0 1.8 4.39 588 534 A 49 PHE HD% A 6 ARG HBx 1.0 1.8 4.39 589 535 A 49 PHE HE% A 6 ARG HBy 1.0 1.8 3.61 590 535 A 49 PHE HE% A 6 ARG HBx 1.0 1.8 3.61 591 536 A 6 ARG HE A 6 ARG HGy 1.0 1.8 3.48 592 536 A 6 ARG HE A 6 ARG HGx 1.0 1.8 3.48 593 537 A 6 ARG HGx A 7 PRO HDx 1.0 1.8 4.14 594 537 A 6 ARG HGy A 7 PRO HDx 1.0 1.8 4.14 595 537 A 7 PRO HDy A 6 ARG HGy 1.0 1.8 4.14 596 537 A 7 PRO HDy A 6 ARG HGx 1.0 1.8 4.14 597 538 A 49 PHE HD% A 6 ARG HGy 1.0 1.8 4.36 598 538 A 49 PHE HD% A 6 ARG HGx 1.0 1.8 4.36 599 539 A 49 PHE HE% A 6 ARG HGy 1.0 1.8 4.56 600 539 A 49 PHE HE% A 6 ARG HGx 1.0 1.8 4.56 601 540 A 49 PHE HD% A 6 ARG HDx 1.0 1.8 4.46 602 540 A 49 PHE HD% A 6 ARG HDy 1.0 1.8 4.46 603 541 A 49 PHE HE% A 6 ARG HDx 1.0 1.8 3.91 604 541 A 49 PHE HE% A 6 ARG HDy 1.0 1.8 3.91 605 542 A 46 ILE HD1% A 7 PRO HBy 1.0 1.8 3.93 606 542 A 46 ILE HD1% A 7 PRO HBx 1.0 1.8 3.93 607 543 A 46 ILE HG2% A 7 PRO HDx 1.0 1.8 5.18 608 543 A 46 ILE HG2% A 7 PRO HDy 1.0 1.8 5.18 609 544 A 46 ILE HD1% A 7 PRO HDx 1.0 1.8 4.91 610 544 A 46 ILE HD1% A 7 PRO HDy 1.0 1.8 4.91 611 545 A 8 SER H A 8 SER HBx 1.0 1.8 3.34 612 545 A 8 SER H A 8 SER HBy 1.0 1.8 3.34 613 546 A 10 THR HA A 24 GLN HE2x 1.0 1.8 5.01 614 546 A 10 THR HA A 24 GLN HE2y 1.0 1.8 5.01 615 547 A 10 THR HB A 24 GLN HE2x 1.0 1.8 4.01 616 547 A 10 THR HB A 24 GLN HE2y 1.0 1.8 4.01 617 548 A 10 THR HB A 28 LEU HBy 1.0 1.8 3.54 618 548 A 10 THR HB A 28 LEU HBx 1.0 1.8 3.54 619 549 A 10 THR HG2% A 24 GLN HE2x 1.0 1.8 4.21 620 549 A 10 THR HG2% A 24 GLN HE2y 1.0 1.8 4.21 621 550 A 10 THR HG2% A 29 GLU HGx 1.0 1.8 3.96 622 550 A 10 THR HG2% A 29 GLU HGy 1.0 1.8 3.96 623 551 A 11 TRP H A 11 TRP HBy 1.0 1.8 3.06 624 551 A 11 TRP H A 11 TRP HBx 1.0 1.8 3.06 625 552 A 11 TRP H A 24 GLN HE2x 1.0 1.8 4.63 626 552 A 11 TRP H A 24 GLN HE2y 1.0 1.8 4.63 627 553 A 11 TRP H A 28 LEU HBy 1.0 1.8 5.34 628 553 A 11 TRP H A 28 LEU HBx 1.0 1.8 5.34 629 554 A 11 TRP HA A 24 GLN HE2y 1.0 1.8 3.53 630 554 A 11 TRP HA A 24 GLN HE2x 1.0 1.8 3.53 631 555 A 11 TRP HD1 A 11 TRP HBy 1.0 1.8 3.27 632 555 A 11 TRP HD1 A 11 TRP HBx 1.0 1.8 3.27 633 556 A 11 TRP HE3 A 11 TRP HBy 1.0 1.8 3.33 634 556 A 11 TRP HE3 A 11 TRP HBx 1.0 1.8 3.33 635 557 A 11 TRP HZ3 A 11 TRP HBy 1.0 1.8 4.99 636 557 A 11 TRP HZ3 A 11 TRP HBx 1.0 1.8 4.99 637 558 A 24 GLN HE2y A 11 TRP HBx 1.0 1.8 4.71 638 558 A 24 GLN HE2x A 11 TRP HBy 1.0 1.8 4.71 639 558 A 24 GLN HE2x A 11 TRP HBx 1.0 1.8 4.71 640 558 A 24 GLN HE2y A 11 TRP HBy 1.0 1.8 4.71 641 559 A 13 GLY H A 12 SER HBy 1.0 1.8 4.44 642 559 A 13 GLY H A 12 SER HBx 1.0 1.8 4.44 643 560 A 14 VAL H A 13 GLY HAx 1.0 1.8 3.09 644 560 A 14 VAL H A 13 GLY HAy 1.0 1.8 3.09 645 561 A 13 GLY HAx A 14 VAL HGy% 1.0 1.8 4.44 646 561 A 13 GLY HAy A 14 VAL HGy% 1.0 1.8 4.44 647 561 A 14 VAL HGx% A 13 GLY HAx 1.0 1.8 4.44 648 561 A 13 GLY HAy A 14 VAL HGx% 1.0 1.8 4.44 649 562 A 14 VAL H A 14 VAL HGy% 1.0 1.8 3.09 650 562 A 14 VAL H A 14 VAL HGx% 1.0 1.8 3.09 651 563 A 14 VAL HA A 14 VAL HGy% 1.0 1.8 3.11 652 563 A 14 VAL HA A 14 VAL HGx% 1.0 1.8 3.11 653 564 A 15 CYS H A 14 VAL HGy% 1.0 1.8 3.60 654 564 A 15 CYS H A 14 VAL HGx% 1.0 1.8 3.60 655 565 A 15 CYS HA A 14 VAL HGy% 1.0 1.8 4.90 656 565 A 15 CYS HA A 14 VAL HGx% 1.0 1.8 4.90 657 566 A 16 GLY H A 14 VAL HGy% 1.0 1.8 4.42 658 566 A 16 GLY H A 14 VAL HGx% 1.0 1.8 4.42 659 567 A 15 CYS H A 15 CYS HBy 1.0 1.8 3.47 660 567 A 15 CYS H A 15 CYS HBx 1.0 1.8 3.47 661 568 A 17 ASN HA A 17 ASN HD2x 1.0 1.8 4.67 662 568 A 17 ASN HA A 17 ASN HD2y 1.0 1.8 4.67 663 569 A 17 ASN HD2y A 17 ASN HBx 1.0 1.8 3.13 664 569 A 17 ASN HD2x A 17 ASN HBx 1.0 1.8 3.13 665 569 A 17 ASN HD2y A 17 ASN HBy 1.0 1.8 3.13 666 569 A 17 ASN HD2x A 17 ASN HBy 1.0 1.8 3.13 667 570 A 20 ALA H A 17 ASN HBy 1.0 1.8 3.42 668 570 A 20 ALA H A 17 ASN HBx 1.0 1.8 3.42 669 571 A 18 ASN H A 18 ASN HBx 1.0 1.8 3.28 670 571 A 18 ASN H A 18 ASN HBy 1.0 1.8 3.28 671 572 A 18 ASN H A 18 ASN HD2x 1.0 1.8 4.33 672 572 A 18 ASN H A 18 ASN HD2y 1.0 1.8 4.33 673 573 A 18 ASN HD2x A 18 ASN HBx 1.0 1.8 3.06 674 573 A 18 ASN HD2y A 18 ASN HBy 1.0 1.8 3.06 675 573 A 18 ASN HD2x A 18 ASN HBy 1.0 1.8 3.06 676 573 A 18 ASN HD2y A 18 ASN HBx 1.0 1.8 3.06 677 574 A 19 ASN H A 18 ASN HBx 1.0 1.8 3.45 678 574 A 19 ASN H A 18 ASN HBy 1.0 1.8 3.45 679 575 A 19 ASN H A 19 ASN HD2x 1.0 1.8 4.59 680 575 A 19 ASN H A 19 ASN HD2y 1.0 1.8 4.59 681 576 A 19 ASN HA A 22 LYS HEx 1.0 1.8 4.18 682 576 A 19 ASN HA A 22 LYS HEy 1.0 1.8 4.18 683 577 A 20 ALA H A 19 ASN HBx 1.0 1.8 3.79 684 577 A 20 ALA H A 19 ASN HBy 1.0 1.8 3.79 685 578 A 21 CYS H A 21 CYS HBx 1.0 1.8 3.20 686 578 A 21 CYS H A 21 CYS HBy 1.0 1.8 3.20 687 579 A 22 LYS H A 21 CYS HBx 1.0 1.8 3.94 688 579 A 22 LYS H A 21 CYS HBy 1.0 1.8 3.94 689 580 A 22 LYS HA A 21 CYS HBx 1.0 1.8 5.07 690 580 A 22 LYS HA A 21 CYS HBy 1.0 1.8 5.07 691 581 A 22 LYS H A 22 LYS HGy 1.0 1.8 4.67 692 581 A 22 LYS H A 22 LYS HGx 1.0 1.8 4.67 693 582 A 22 LYS H A 22 LYS HEx 1.0 1.8 5.29 694 582 A 22 LYS H A 22 LYS HEy 1.0 1.8 5.29 695 583 A 22 LYS HA A 22 LYS HGy 1.0 1.8 3.67 696 583 A 22 LYS HA A 22 LYS HGx 1.0 1.8 3.67 697 584 A 22 LYS HBy A 22 LYS HEx 1.0 1.8 3.57 698 584 A 22 LYS HBy A 22 LYS HEy 1.0 1.8 3.57 699 585 A 23 ASN H A 22 LYS HGy 1.0 1.8 4.29 700 585 A 23 ASN H A 22 LYS HGx 1.0 1.8 4.29 701 586 A 23 ASN HA A 22 LYS HGy 1.0 1.8 4.70 702 586 A 23 ASN HA A 22 LYS HGx 1.0 1.8 4.70 703 587 A 26 ILE HD1% A 22 LYS HGy 1.0 1.8 3.25 704 587 A 26 ILE HD1% A 22 LYS HGx 1.0 1.8 3.25 705 588 A 33 HIS HA A 22 LYS HGy 1.0 1.8 3.88 706 588 A 33 HIS HA A 22 LYS HGx 1.0 1.8 3.88 707 589 A 33 HIS HE1 A 22 LYS HGy 1.0 1.8 4.77 708 589 A 33 HIS HE1 A 22 LYS HGx 1.0 1.8 4.77 709 590 A 34 GLY H A 22 LYS HGy 1.0 1.8 3.41 710 590 A 34 GLY H A 22 LYS HGx 1.0 1.8 3.41 711 591 A 33 HIS HE1 A 22 LYS HDy 1.0 1.8 4.08 712 591 A 33 HIS HE1 A 22 LYS HDx 1.0 1.8 4.08 713 592 A 23 ASN H A 22 LYS HEx 1.0 1.8 4.88 714 592 A 23 ASN H A 22 LYS HEy 1.0 1.8 4.88 715 593 A 33 HIS HE1 A 22 LYS HEx 1.0 1.8 4.42 716 593 A 33 HIS HE1 A 22 LYS HEy 1.0 1.8 4.42 717 594 A 24 GLN HA A 24 GLN HGy 1.0 1.8 3.24 718 594 A 24 GLN HA A 24 GLN HGx 1.0 1.8 3.24 719 595 A 24 GLN HE2y A 24 GLN HBx 1.0 1.8 4.27 720 595 A 24 GLN HE2x A 24 GLN HBy 1.0 1.8 4.27 721 595 A 24 GLN HE2x A 24 GLN HBx 1.0 1.8 4.27 722 595 A 24 GLN HE2y A 24 GLN HBy 1.0 1.8 4.27 723 596 A 24 GLN HE2x A 24 GLN HGy 1.0 1.8 3.09 724 596 A 24 GLN HE2x A 24 GLN HGx 1.0 1.8 3.09 725 596 A 24 GLN HE2y A 24 GLN HGx 1.0 1.8 3.09 726 596 A 24 GLN HE2y A 24 GLN HGy 1.0 1.8 3.09 727 597 A 24 GLN HE2x A 28 LEU HG 1.0 1.8 4.08 728 597 A 24 GLN HE2y A 28 LEU HG 1.0 1.8 4.08 729 598 A 24 GLN HE2y A 28 LEU HDx% 1.0 1.8 3.64 730 598 A 24 GLN HE2y A 28 LEU HDy% 1.0 1.8 3.64 731 598 A 24 GLN HE2x A 28 LEU HDx% 1.0 1.8 3.64 732 598 A 24 GLN HE2x A 28 LEU HDy% 1.0 1.8 3.64 733 599 A 25 CYS HA A 29 GLU HGx 1.0 1.8 4.20 734 599 A 25 CYS HA A 29 GLU HGy 1.0 1.8 4.20 735 600 A 26 ILE H A 27 ARG HBy 1.0 1.8 4.79 736 600 A 26 ILE H A 27 ARG HBx 1.0 1.8 4.79 737 601 A 27 ARG H A 27 ARG HBy 1.0 1.8 3.10 738 601 A 27 ARG H A 27 ARG HBx 1.0 1.8 3.10 739 602 A 27 ARG H A 27 ARG HGy 1.0 1.8 3.74 740 602 A 27 ARG H A 27 ARG HGx 1.0 1.8 3.74 741 603 A 27 ARG HA A 27 ARG HGy 1.0 1.8 3.32 742 603 A 27 ARG HA A 27 ARG HGx 1.0 1.8 3.32 743 604 A 27 ARG HE A 27 ARG HBy 1.0 1.8 4.15 744 604 A 27 ARG HBx A 27 ARG HE 1.0 1.8 4.15 745 605 A 28 LEU H A 27 ARG HBy 1.0 1.8 3.61 746 605 A 28 LEU H A 27 ARG HBx 1.0 1.8 3.61 747 606 A 28 LEU H A 28 LEU HBy 1.0 1.8 3.53 748 606 A 28 LEU H A 28 LEU HBx 1.0 1.8 3.53 749 607 A 28 LEU H A 29 GLU HGx 1.0 1.8 4.66 750 607 A 28 LEU H A 29 GLU HGy 1.0 1.8 4.66 751 608 A 28 LEU HA A 28 LEU HDx% 1.0 1.8 2.95 752 608 A 28 LEU HA A 28 LEU HDy% 1.0 1.8 2.95 753 609 A 29 GLU H A 28 LEU HBy 1.0 1.8 3.80 754 609 A 29 GLU H A 28 LEU HBx 1.0 1.8 3.80 755 610 A 28 LEU HBx A 29 GLU HGx 1.0 1.8 4.63 756 610 A 28 LEU HBy A 29 GLU HGx 1.0 1.8 4.63 757 610 A 29 GLU HGy A 28 LEU HBy 1.0 1.8 4.63 758 610 A 28 LEU HBx A 29 GLU HGy 1.0 1.8 4.63 759 611 A 29 GLU H A 29 GLU HBx 1.0 1.8 3.56 760 611 A 29 GLU H A 29 GLU HBy 1.0 1.8 3.56 761 612 A 29 GLU H A 29 GLU HGx 1.0 1.8 3.39 762 612 A 29 GLU H A 29 GLU HGy 1.0 1.8 3.39 763 613 A 29 GLU H A 30 LYS HGx 1.0 1.8 4.82 764 613 A 29 GLU H A 30 LYS HGy 1.0 1.8 4.82 765 614 A 31 ALA H A 29 GLU HBx 1.0 1.8 4.87 766 614 A 31 ALA H A 29 GLU HBy 1.0 1.8 4.87 767 615 A 30 LYS H A 29 GLU HGx 1.0 1.8 4.86 768 615 A 30 LYS H A 29 GLU HGy 1.0 1.8 4.86 769 616 A 30 LYS HA A 29 GLU HGx 1.0 1.8 4.77 770 616 A 30 LYS HA A 29 GLU HGy 1.0 1.8 4.77 771 617 A 30 LYS H A 30 LYS HGx 1.0 1.8 3.57 772 617 A 30 LYS H A 30 LYS HGy 1.0 1.8 3.57 773 618 A 30 LYS HA A 30 LYS HGx 1.0 1.8 3.59 774 618 A 30 LYS HA A 30 LYS HGy 1.0 1.8 3.59 775 619 A 30 LYS HA A 30 LYS HDy 1.0 1.8 4.59 776 619 A 30 LYS HA A 30 LYS HDx 1.0 1.8 4.59 777 620 A 31 ALA H A 30 LYS HGx 1.0 1.8 4.95 778 620 A 31 ALA H A 30 LYS HGy 1.0 1.8 4.95 779 621 A 32 ARG H A 32 ARG HBy 1.0 1.8 3.33 780 621 A 32 ARG H A 32 ARG HBx 1.0 1.8 3.33 781 622 A 32 ARG HA A 32 ARG HGx 1.0 1.8 3.67 782 622 A 32 ARG HA A 32 ARG HGy 1.0 1.8 3.67 783 623 A 32 ARG HA A 32 ARG HDy 1.0 1.8 3.43 784 623 A 32 ARG HA A 32 ARG HDx 1.0 1.8 3.43 785 624 A 49 PHE HA A 32 ARG HBy 1.0 1.8 4.88 786 624 A 49 PHE HA A 32 ARG HBx 1.0 1.8 4.88 787 625 A 32 ARG HE A 32 ARG HGx 1.0 1.8 3.45 788 625 A 32 ARG HE A 32 ARG HGy 1.0 1.8 3.45 789 626 A 49 PHE HA A 32 ARG HGx 1.0 1.8 4.82 790 626 A 49 PHE HA A 32 ARG HGy 1.0 1.8 4.82 791 627 A 33 HIS H A 33 HIS HBy 1.0 1.8 3.59 792 627 A 33 HIS H A 33 HIS HBx 1.0 1.8 3.59 793 628 A 33 HIS HD2 A 33 HIS HBy 1.0 1.8 3.43 794 628 A 33 HIS HD2 A 33 HIS HBx 1.0 1.8 3.43 795 629 A 34 GLY H A 33 HIS HBy 1.0 1.8 3.72 796 629 A 34 GLY H A 33 HIS HBx 1.0 1.8 3.72 797 630 A 48 TYR HD% A 33 HIS HBy 1.0 1.8 4.43 798 630 A 48 TYR HD% A 33 HIS HBx 1.0 1.8 4.43 799 631 A 33 HIS HD2 A 35 SER HBx 1.0 1.8 4.65 800 631 A 33 HIS HD2 A 35 SER HBy 1.0 1.8 4.65 801 632 A 33 HIS HE1 A 35 SER HBx 1.0 1.8 5.34 802 632 A 33 HIS HE1 A 35 SER HBy 1.0 1.8 5.34 803 633 A 36 CYS H A 35 SER HBx 1.0 1.8 3.48 804 633 A 36 CYS H A 35 SER HBy 1.0 1.8 3.48 805 634 A 36 CYS H A 36 CYS HBx 1.0 1.8 3.35 806 634 A 36 CYS H A 36 CYS HBy 1.0 1.8 3.35 807 635 A 37 ASN H A 37 ASN HBy 1.0 1.8 3.37 808 635 A 37 ASN H A 37 ASN HBx 1.0 1.8 3.37 809 636 A 37 ASN H A 43 HIS HBy 1.0 1.8 4.55 810 636 A 37 ASN H A 43 HIS HBx 1.0 1.8 4.55 811 637 A 37 ASN H A 46 ILE HG1x 1.0 1.8 5.34 812 637 A 37 ASN H A 46 ILE HG1y 1.0 1.8 5.34 813 638 A 38 TYR H A 37 ASN HBy 1.0 1.8 4.23 814 638 A 38 TYR H A 37 ASN HBx 1.0 1.8 4.23 815 639 A 46 ILE HG2% A 37 ASN HBy 1.0 1.8 5.31 816 639 A 46 ILE HG2% A 37 ASN HBx 1.0 1.8 5.31 817 640 A 37 ASN HBy A 46 ILE HG1x 1.0 1.8 3.55 818 640 A 37 ASN HBx A 46 ILE HG1x 1.0 1.8 3.55 819 640 A 46 ILE HG1y A 37 ASN HBy 1.0 1.8 3.55 820 640 A 37 ASN HBx A 46 ILE HG1y 1.0 1.8 3.55 821 641 A 46 ILE HD1% A 37 ASN HBy 1.0 1.8 4.72 822 641 A 46 ILE HD1% A 37 ASN HBx 1.0 1.8 4.72 823 642 A 38 TYR H A 38 TYR HBx 1.0 1.8 3.10 824 642 A 38 TYR H A 38 TYR HBy 1.0 1.8 3.10 825 643 A 38 TYR HA A 39 VAL HGy% 1.0 1.8 4.20 826 643 A 38 TYR HA A 39 VAL HGx% 1.0 1.8 4.20 827 644 A 39 VAL H A 38 TYR HBx 1.0 1.8 4.29 828 644 A 39 VAL H A 38 TYR HBy 1.0 1.8 4.29 829 645 A 39 VAL H A 39 VAL HGy% 1.0 1.8 3.81 830 645 A 39 VAL H A 39 VAL HGx% 1.0 1.8 3.81 831 646 A 39 VAL HA A 39 VAL HGy% 1.0 1.8 2.96 832 646 A 39 VAL HA A 39 VAL HGx% 1.0 1.8 2.96 833 647 A 40 PHE H A 39 VAL HGy% 1.0 1.8 4.06 834 647 A 40 PHE H A 39 VAL HGx% 1.0 1.8 4.06 835 648 A 39 VAL HGy% A 41 PRO HDx 1.0 1.8 4.94 836 648 A 39 VAL HGx% A 41 PRO HDx 1.0 1.8 4.94 837 648 A 41 PRO HDy A 39 VAL HGy% 1.0 1.8 4.94 838 648 A 39 VAL HGx% A 41 PRO HDy 1.0 1.8 4.94 839 649 A 42 ALA H A 39 VAL HGy% 1.0 1.8 4.78 840 649 A 42 ALA H A 39 VAL HGx% 1.0 1.8 4.78 841 650 A 43 HIS HA A 39 VAL HGy% 1.0 1.8 5.14 842 650 A 43 HIS HA A 39 VAL HGx% 1.0 1.8 5.14 843 651 A 40 PHE H A 40 PHE HBy 1.0 1.8 3.10 844 651 A 40 PHE H A 40 PHE HBx 1.0 1.8 3.10 845 652 A 41 PRO HA A 40 PHE HBy 1.0 1.8 3.54 846 652 A 41 PRO HA A 40 PHE HBx 1.0 1.8 3.54 847 653 A 40 PHE HD% A 41 PRO HDx 1.0 1.8 5.26 848 653 A 40 PHE HD% A 41 PRO HDy 1.0 1.8 5.26 849 654 A 40 PHE HE% A 41 PRO HDx 1.0 1.8 4.89 850 654 A 40 PHE HE% A 41 PRO HDy 1.0 1.8 4.89 851 655 A 42 ALA H A 41 PRO HGx 1.0 1.8 4.23 852 655 A 42 ALA H A 41 PRO HGy 1.0 1.8 4.23 853 656 A 42 ALA H A 41 PRO HDx 1.0 1.8 3.93 854 656 A 42 ALA H A 41 PRO HDy 1.0 1.8 3.93 855 657 A 42 ALA HB% A 41 PRO HDx 1.0 1.8 5.19 856 657 A 42 ALA HB% A 41 PRO HDy 1.0 1.8 5.19 857 658 A 43 HIS H A 43 HIS HBy 1.0 1.8 3.39 858 658 A 43 HIS H A 43 HIS HBx 1.0 1.8 3.39 859 659 A 44 LYS H A 43 HIS HBy 1.0 1.8 3.87 860 659 A 44 LYS H A 43 HIS HBx 1.0 1.8 3.87 861 660 A 44 LYS H A 44 LYS HGy 1.0 1.8 4.28 862 660 A 44 LYS H A 44 LYS HGx 1.0 1.8 4.28 863 661 A 45 CYS H A 45 CYS HBy 1.0 1.8 3.36 864 661 A 45 CYS H A 45 CYS HBx 1.0 1.8 3.36 865 662 A 46 ILE H A 46 ILE HG1x 1.0 1.8 4.23 866 662 A 46 ILE H A 46 ILE HG1y 1.0 1.8 4.23 867 663 A 46 ILE HG2% A 46 ILE HG1x 1.0 1.8 3.24 868 663 A 46 ILE HG2% A 46 ILE HG1y 1.0 1.8 3.24 869 664 A 51 CYS H A 50 PRO HBy 1.0 1.8 3.85 870 664 A 51 CYS H A 50 PRO HBx 1.0 1.8 3.85 871 665 A 51 CYS H A 51 CYS HBx 1.0 1.8 3.54 872 665 A 51 CYS H A 51 CYS HBy 1.0 1.8 3.54 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 4 CYS H A 49 PHE O 1.0 0.0 2.0 2 2 A 49 PHE O A 4 CYS N 1.0 0.0 3.0 3 3 A 6 ARG H A 47 CYS O 1.0 0.0 2.0 4 4 A 47 CYS O A 6 ARG N 1.0 0.0 3.0 5 5 A 22 LYS H A 18 ASN O 1.0 0.0 2.0 6 6 A 18 ASN O A 22 LYS N 1.0 0.0 3.0 7 7 A 24 GLN H A 20 ALA O 1.0 0.0 2.0 8 8 A 20 ALA O A 24 GLN N 1.0 0.0 3.0 9 9 A 26 ILE H A 22 LYS O 1.0 0.0 2.0 10 10 A 22 LYS O A 26 ILE N 1.0 0.0 3.0 11 11 A 27 ARG H A 23 ASN O 1.0 0.0 2.0 12 12 A 23 ASN O A 27 ARG N 1.0 0.0 3.0 13 13 A 28 LEU H A 25 CYS O 1.0 0.0 2.0 14 14 A 25 CYS O A 28 LEU N 1.0 0.0 3.0 15 15 A 29 GLU H A 25 CYS O 1.0 0.0 2.0 16 16 A 25 CYS O A 29 GLU N 1.0 0.0 3.0 17 17 A 30 LYS H A 25 CYS O 1.0 0.0 2.0 18 18 A 25 CYS O A 30 LYS N 1.0 0.0 3.0 19 19 A 32 ARG H A 48 TYR O 1.0 0.0 2.0 20 20 A 48 TYR O A 32 ARG N 1.0 0.0 3.0 21 21 A 35 SER H A 46 ILE O 1.0 0.0 2.0 22 22 A 46 ILE O A 35 SER N 1.0 0.0 3.0 23 23 A 37 ASN H A 44 LYS O 1.0 0.0 2.0 24 24 A 44 LYS O A 37 ASN N 1.0 0.0 3.0 25 25 A 46 ILE H A 35 SER O 1.0 0.0 2.0 26 26 A 35 SER O A 46 ILE N 1.0 0.0 3.0 27 27 A 47 CYS H A 6 ARG O 1.0 0.0 2.0 28 28 A 6 ARG O A 47 CYS N 1.0 0.0 3.0 29 29 A 48 TYR H A 33 HIS O 1.0 0.0 2.0 30 30 A 33 HIS O A 48 TYR N 1.0 0.0 3.0 31 31 A 49 PHE H A 4 CYS O 1.0 0.0 2.0 32 32 A 4 CYS O A 49 PHE N 1.0 0.0 3.0 33 33 A 51 CYS H A 2 LYS O 1.0 0.0 2.0 34 34 A 2 LYS O A 51 CYS N 1.0 0.0 3.0 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 1 GLN C A 2 LYS N A 2 LYS CA A 2 LYS C 1.0 -180.0 -20.0 PHI 2 2 A 2 LYS C A 3 LEU N A 3 LEU CA A 3 LEU C 1.0 -170.0 -70.0 PHI 3 3 A 3 LEU N A 3 LEU CA A 3 LEU C A 4 CYS N 1.0 100.0 180.0 PSI 4 4 A 4 CYS C A 5 GLN N A 5 GLN CA A 5 GLN C 1.0 -180.0 -20.0 PHI 5 5 A 5 GLN C A 6 ARG N A 6 ARG CA A 6 ARG C 1.0 -180.0 -20.0 PHI 6 6 A 7 PRO C A 8 SER N A 8 SER CA A 8 SER C 1.0 -180.0 -20.0 PHI 7 7 A 8 SER N A 8 SER CA A 8 SER C A 9 GLY N 1.0 80.0 160.0 PSI 8 8 A 9 GLY C A 10 THR N A 10 THR CA A 10 THR C 1.0 -180.0 -20.0 PHI 9 9 A 10 THR C A 11 TRP N A 11 TRP CA A 11 TRP C 1.0 -180.0 -20.0 PHI 10 10 A 11 TRP N A 11 TRP CA A 11 TRP C A 12 SER N 1.0 70.0 170.0 PSI 11 11 A 11 TRP C A 12 SER N A 12 SER CA A 12 SER C 1.0 -180.0 -20.0 PHI 12 12 A 12 SER N A 12 SER CA A 12 SER C A 13 GLY N 1.0 90.0 170.0 PSI 13 13 A 13 GLY C A 14 VAL N A 14 VAL CA A 14 VAL C 1.0 -140.0 -20.0 PHI 14 14 A 14 VAL N A 14 VAL CA A 14 VAL C A 15 CYS N 1.0 70.0 170.0 PSI 15 15 A 14 VAL C A 15 CYS N A 15 CYS CA A 15 CYS C 1.0 -140.0 -20.0 PHI 16 16 A 15 CYS N A 15 CYS CA A 15 CYS C A 16 GLY N 1.0 80.0 180.0 PSI 17 17 A 15 CYS C A 16 GLY N A 16 GLY CA A 16 GLY C 1.0 -140.0 -60.0 PHI 18 18 A 16 GLY C A 17 ASN N A 17 ASN CA A 17 ASN C 1.0 -160.0 -40.0 PHI 19 19 A 17 ASN N A 17 ASN CA A 17 ASN C A 18 ASN N 1.0 80.0 180.0 PSI 20 20 A 17 ASN C A 18 ASN N A 18 ASN CA A 18 ASN C 1.0 -120.0 -20.0 PHI 21 21 A 18 ASN N A 18 ASN CA A 18 ASN C A 19 ASN N 1.0 -90.0 30.0 PSI 22 22 A 18 ASN C A 19 ASN N A 19 ASN CA A 19 ASN C 1.0 -90.0 -30.0 PHI 23 23 A 19 ASN N A 19 ASN CA A 19 ASN C A 20 ALA N 1.0 -60.0 0.0 PSI 24 24 A 19 ASN C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -90.0 -30.0 PHI 25 25 A 20 ALA N A 20 ALA CA A 20 ALA C A 21 CYS N 1.0 -60.0 -20.0 PSI 26 26 A 20 ALA C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -90.0 -30.0 PHI 27 27 A 21 CYS N A 21 CYS CA A 21 CYS C A 22 LYS N 1.0 -60.0 -20.0 PSI 28 28 A 21 CYS C A 22 LYS N A 22 LYS CA A 22 LYS C 1.0 -90.0 -30.0 PHI 29 29 A 22 LYS N A 22 LYS CA A 22 LYS C A 23 ASN N 1.0 -60.0 -20.0 PSI 30 30 A 22 LYS C A 23 ASN N A 23 ASN CA A 23 ASN C 1.0 -90.0 -30.0 PHI 31 31 A 23 ASN N A 23 ASN CA A 23 ASN C A 24 GLN N 1.0 -60.0 -20.0 PSI 32 32 A 23 ASN C A 24 GLN N A 24 GLN CA A 24 GLN C 1.0 -90.0 -30.0 PHI 33 33 A 24 GLN N A 24 GLN CA A 24 GLN C A 25 CYS N 1.0 -60.0 -20.0 PSI 34 34 A 24 GLN C A 25 CYS N A 25 CYS CA A 25 CYS C 1.0 -90.0 -30.0 PHI 35 35 A 25 CYS N A 25 CYS CA A 25 CYS C A 26 ILE N 1.0 -60.0 -20.0 PSI 36 36 A 25 CYS C A 26 ILE N A 26 ILE CA A 26 ILE C 1.0 -90.0 -30.0 PHI 37 37 A 26 ILE N A 26 ILE CA A 26 ILE C A 27 ARG N 1.0 -60.0 -20.0 PSI 38 38 A 26 ILE C A 27 ARG N A 27 ARG CA A 27 ARG C 1.0 -100.0 -40.0 PHI 39 39 A 27 ARG N A 27 ARG CA A 27 ARG C A 28 LEU N 1.0 -70.0 -10.0 PSI 40 40 A 27 ARG C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -130.0 -50.0 PHI 41 41 A 28 LEU N A 28 LEU CA A 28 LEU C A 29 GLU N 1.0 -80.0 0.0 PSI 42 42 A 28 LEU C A 29 GLU N A 29 GLU CA A 29 GLU C 1.0 -140.0 -60.0 PHI 43 43 A 29 GLU N A 29 GLU CA A 29 GLU C A 30 LYS N 1.0 -40.0 40.0 PSI 44 44 A 29 GLU C A 30 LYS N A 30 LYS CA A 30 LYS C 1.0 30.0 90.0 PHI 45 45 A 30 LYS C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -120.0 0.0 PHI 46 46 A 31 ALA C A 32 ARG N A 32 ARG CA A 32 ARG C 1.0 -180.0 -20.0 PHI 47 47 A 32 ARG N A 32 ARG CA A 32 ARG C A 33 HIS N 1.0 -60.0 0.0 PSI 48 48 A 32 ARG C A 33 HIS N A 33 HIS CA A 33 HIS C 1.0 -180.0 -20.0 PHI 49 49 A 33 HIS C A 34 GLY N A 34 GLY CA A 34 GLY C 1.0 -180.0 -20.0 PHI 50 50 A 34 GLY N A 34 GLY CA A 34 GLY C A 35 SER N 1.0 120.0 180.0 PSI 51 51 A 34 GLY C A 35 SER N A 35 SER CA A 35 SER C 1.0 -180.0 -20.0 PHI 52 52 A 35 SER N A 35 SER CA A 35 SER C A 36 CYS N 1.0 120.0 180.0 PSI 53 53 A 35 SER C A 36 CYS N A 36 CYS CA A 36 CYS C 1.0 -180.0 -20.0 PHI 54 54 A 36 CYS N A 36 CYS CA A 36 CYS C A 37 ASN N 1.0 60.0 180.0 PSI 55 55 A 37 ASN C A 38 TYR N A 38 TYR CA A 38 TYR C 1.0 -180.0 -20.0 PHI 56 56 A 38 TYR N A 38 TYR CA A 38 TYR C A 39 VAL N 1.0 80.0 180.0 PSI 57 57 A 38 TYR C A 39 VAL N A 39 VAL CA A 39 VAL C 1.0 -180.0 -20.0 PHI 58 58 A 39 VAL C A 40 PHE N A 40 PHE CA A 40 PHE C 1.0 -180.0 -20.0 PHI 59 59 A 41 PRO C A 42 ALA N A 42 ALA CA A 42 ALA C 1.0 -170.0 -50.0 PHI 60 60 A 42 ALA C A 43 HIS N A 43 HIS CA A 43 HIS C 1.0 -140.0 -60.0 PHI 61 61 A 43 HIS N A 43 HIS CA A 43 HIS C A 44 LYS N 1.0 80.0 180.0 PSI 62 62 A 43 HIS C A 44 LYS N A 44 LYS CA A 44 LYS C 1.0 -160.0 -80.0 PHI 63 63 A 44 LYS C A 45 CYS N A 45 CYS CA A 45 CYS C 1.0 -180.0 -20.0 PHI 64 64 A 45 CYS C A 46 ILE N A 46 ILE CA A 46 ILE C 1.0 -160.0 -40.0 PHI 65 65 A 46 ILE N A 46 ILE CA A 46 ILE C A 47 CYS N 1.0 100.0 180.0 PSI 66 66 A 46 ILE C A 47 CYS N A 47 CYS CA A 47 CYS C 1.0 -180.0 -80.0 PHI 67 67 A 47 CYS N A 47 CYS CA A 47 CYS C A 48 TYR N 1.0 100.0 180.0 PSI 68 68 A 47 CYS C A 48 TYR N A 48 TYR CA A 48 TYR C 1.0 -180.0 -20.0 PHI 69 69 A 48 TYR N A 48 TYR CA A 48 TYR C A 49 PHE N 1.0 100.0 180.0 PSI 70 70 A 48 TYR C A 49 PHE N A 49 PHE CA A 49 PHE C 1.0 -180.0 -20.0 PHI 71 71 A 49 PHE N A 49 PHE CA A 49 PHE C A 50 PRO N 1.0 60.0 180.0 PSI 72 72 A 3 LEU N A 3 LEU CA A 3 LEU CB A 3 LEU CG 1.0 -90.0 -30.0 CHI1 73 73 A 6 ARG N A 6 ARG CA A 6 ARG CB A 6 ARG CG 1.0 150.0 210.0 CHI1 74 74 A 11 TRP N A 11 TRP CA A 11 TRP CB A 11 TRP CG 1.0 150.0 210.0 CHI1 75 75 A 15 CYS N A 15 CYS CA A 15 CYS CB A 15 CYS SG 1.0 150.0 210.0 CHI1 76 76 A 18 ASN N A 18 ASN CA A 18 ASN CB A 18 ASN CG 1.0 -90.0 -30.0 CHI1 77 77 A 21 CYS N A 21 CYS CA A 21 CYS CB A 21 CYS SG 1.0 30.0 90.0 CHI1 78 78 A 23 ASN N A 23 ASN CA A 23 ASN CB A 23 ASN CG 1.0 150.0 210.0 CHI1 79 79 A 24 GLN N A 24 GLN CA A 24 GLN CB A 24 GLN CG 1.0 150.0 210.0 CHI1 80 80 A 25 CYS N A 25 CYS CA A 25 CYS CB A 25 CYS SG 1.0 -90.0 -30.0 CHI1 81 81 A 28 LEU N A 28 LEU CA A 28 LEU CB A 28 LEU CG 1.0 -90.0 -30.0 CHI1 82 82 A 32 ARG N A 32 ARG CA A 32 ARG CB A 32 ARG CG 1.0 -210.0 -30.0 CHI1 83 83 A 36 CYS N A 36 CYS CA A 36 CYS CB A 36 CYS SG 1.0 -90.0 -30.0 CHI1 84 84 A 43 HIS N A 43 HIS CA A 43 HIS CB A 43 HIS CG 1.0 -90.0 -30.0 CHI1 85 85 A 44 LYS N A 44 LYS CA A 44 LYS CB A 44 LYS CG 1.0 -90.0 -30.0 CHI1 86 86 A 45 CYS N A 45 CYS CA A 45 CYS CB A 45 CYS SG 1.0 -210.0 -30.0 CHI1 87 87 A 47 CYS N A 47 CYS CA A 47 CYS CB A 47 CYS SG 1.0 -90.0 -30.0 CHI1 88 88 A 48 TYR N A 48 TYR CA A 48 TYR CB A 48 TYR CG 1.0 -90.0 -30.0 CHI1 89 89 A 49 PHE N A 49 PHE CA A 49 PHE CB A 49 PHE CG 1.0 -90.0 -30.0 CHI1 90 90 A 51 CYS N A 51 CYS CA A 51 CYS CB A 51 CYS SG 1.0 -90.0 -30.0 CHI1 stop_ save_