data_nef_c30225_5ug3 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 30226 PDB 5UG3 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 5 CYS SG 1 11 CYS SG 1 6 CYS SG 1 19 CYS SG 1 15 ASN C 1 16 HYP N 1 16 HYP C 1 17 HIS N 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 ILE start . . 2 A 2 ARG middle . . 3 A 3 ASP middle . . 4 A 4 GLU middle . . 5 A 5 CYS middle -HG . 6 A 6 CYS middle -HG . 7 A 7 SER middle . . 8 A 8 ASN middle . . 9 A 9 PRO middle . false 10 A 10 VAL middle . . 11 A 11 CYS middle -HG . 12 A 12 ARG middle . . 13 A 13 VAL middle . . 14 A 14 ASN middle . . 15 A 15 ASN middle -OXT . 16 A 16 HYP middle -H,-OXT . 17 A 17 HIS middle -H2 . 18 A 18 VAL middle . . 19 A 19 CYS end -HG . 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 ILE HA H 1 3.865 0.002 A 1 ILE HB H 1 1.967 0.003 A 1 ILE HD1% H 1 0.927 0.003 A 1 ILE HG1y H 1 1.491 0.003 A 1 ILE HG1x H 1 1.220 0.008 A 1 ILE HG2% H 1 0.992 0.004 A 1 ILE CA C 13 60.240 . A 1 ILE CB C 13 39.165 . A 2 ARG H H 1 8.790 0.005 A 2 ARG HA H 1 4.348 0.003 A 2 ARG HBy H 1 1.796 0.002 A 2 ARG HBx H 1 1.626 0.015 A 2 ARG HD2 H 1 3.194 0.004 A 2 ARG HE H 1 7.254 0.002 A 2 ARG CA C 13 56.274 . A 2 ARG CB C 13 27.162 0.0 A 3 ASP H H 1 8.777 0.002 A 3 ASP HA H 1 4.602 0.004 A 3 ASP HBy H 1 2.912 0.008 A 3 ASP HBx H 1 2.849 0.005 A 3 ASP CA C 13 53.283 . A 3 ASP CB C 13 38.524 0.002 A 4 GLU H H 1 8.898 0.003 A 4 GLU HA H 1 4.228 0.008 A 4 GLU HBy H 1 2.177 0.008 A 4 GLU HBx H 1 2.050 0.002 A 4 GLU HG2 H 1 2.499 0.004 A 4 GLU CA C 13 57.369 . A 4 GLU CB C 13 27.767 . A 5 CYS H H 1 8.507 0.003 A 5 CYS HA H 1 4.465 0.004 A 5 CYS HBy H 1 3.296 0.006 A 5 CYS HBx H 1 2.765 0.006 A 5 CYS CA C 13 58.337 . A 6 CYS H H 1 8.169 0.001 A 6 CYS HA H 1 4.367 0.006 A 6 CYS HBy H 1 3.281 0.008 A 6 CYS HBx H 1 2.882 0.008 A 6 CYS CA C 13 56.401 . A 7 SER H H 1 7.851 0.005 A 7 SER HA H 1 4.514 0.002 A 7 SER HBy H 1 4.017 0.004 A 7 SER HBx H 1 3.971 0.002 A 7 SER CA C 13 58.772 . A 7 SER CB C 13 63.652 0.001 A 8 ASN H H 1 7.967 0.003 A 8 ASN HA H 1 5.303 0.002 A 8 ASN HBy H 1 3.209 0.003 A 8 ASN HBx H 1 2.884 0.008 A 8 ASN HD21 H 1 8.029 0.001 A 8 ASN HD22 H 1 7.263 0.003 A 8 ASN CA C 13 49.948 . A 8 ASN CB C 13 40.776 0.003 A 9 PRO HA H 1 4.131 0.003 A 9 PRO HBy H 1 2.398 0.002 A 9 PRO HBx H 1 2.067 0.015 A 9 PRO HDy H 1 4.042 0.002 A 9 PRO HDx H 1 3.956 0.003 A 9 PRO HG2 H 1 2.147 0.002 A 9 PRO CA C 13 65.808 . A 9 PRO CB C 13 32.635 0.019 A 9 PRO CD C 13 51.098 0.001 A 10 VAL H H 1 7.491 0.001 A 10 VAL HA H 1 3.746 0.001 A 10 VAL HB H 1 2.046 0.002 A 10 VAL HGx% H 1 0.998 0.002 A 10 VAL HGy% H 1 0.884 0.002 A 10 VAL CA C 13 65.304 . A 10 VAL CB C 13 32.126 . A 11 CYS H H 1 7.662 0.001 A 11 CYS HA H 1 4.204 0.004 A 11 CYS HBy H 1 4.133 0.004 A 11 CYS HBx H 1 3.307 0.003 A 11 CYS CA C 13 60.735 . A 12 ARG H H 1 8.528 0.004 A 12 ARG HA H 1 3.950 0.003 A 12 ARG HBy H 1 1.728 0.003 A 12 ARG HBx H 1 1.600 0.003 A 12 ARG HD2 H 1 3.278 0.007 A 12 ARG HE H 1 7.372 0.008 A 12 ARG HGy H 1 2.020 0.005 A 12 ARG HGx H 1 1.855 0.004 A 12 ARG CA C 13 59.628 . A 12 ARG CB C 13 27.604 0.018 A 13 VAL H H 1 7.397 0.004 A 13 VAL HA H 1 3.881 0.002 A 13 VAL HB H 1 2.166 0.003 A 13 VAL HGx% H 1 1.065 0.003 A 13 VAL HGy% H 1 0.977 0.006 A 13 VAL CA C 13 64.522 . A 13 VAL CB C 13 31.912 . A 14 ASN H H 1 7.617 0.009 A 14 ASN HA H 1 4.731 0.003 A 14 ASN HBy H 1 2.909 0.009 A 14 ASN HBx H 1 2.779 0.007 A 14 ASN HD21 H 1 7.697 0.002 A 14 ASN HD22 H 1 7.080 0.002 A 14 ASN CA C 13 54.032 . A 14 ASN CB C 13 39.428 0.003 A 15 ASN H H 1 7.636 0.004 A 15 ASN HA H 1 5.148 0.01 A 15 ASN HBy H 1 2.770 0.005 A 15 ASN HBx H 1 2.687 0.005 A 15 ASN HD21 H 1 7.831 0.004 A 15 ASN HD22 H 1 7.393 0.003 A 15 ASN CA C 13 51.589 . A 15 ASN CB C 13 40.356 0.006 A 16 HYP HA H 1 4.528 0.004 A 16 HYP HBy H 1 2.215 0.005 A 16 HYP HBx H 1 1.906 0.003 A 16 HYP HD1 H 1 3.800 0.004 A 16 HYP HD22 H 1 3.523 0.004 A 16 HYP HG H 1 4.332 0.005 A 16 HYP CA C 13 63.045 . A 16 HYP CB C 13 39.066 0.002 A 16 HYP CD C 13 56.625 0.003 A 17 HIS H H 1 8.796 0.004 A 17 HIS HA H 1 4.686 0.003 A 17 HIS HBy H 1 3.389 0.002 A 17 HIS HBx H 1 3.323 0.006 A 17 HIS CA C 13 56.221 . A 17 HIS CB C 13 28.058 0.001 A 18 VAL H H 1 7.630 0.003 A 18 VAL HA H 1 4.232 0.005 A 18 VAL HB H 1 2.193 0.003 A 18 VAL HGx% H 1 0.974 0.005 A 18 VAL HGy% H 1 0.931 0.003 A 18 VAL CA C 13 62.988 . A 18 VAL CB C 13 32.786 . A 19 CYS H H 1 7.932 0.002 A 19 CYS HA H 1 4.839 0.001 A 19 CYS HBy H 1 3.273 0.006 A 19 CYS HBx H 1 2.764 0.005 A 19 CYS CA C 13 53.722 . 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 2 ARG H A 2 ARG HA 1.0 1.683 3.133 2 2 A 2 ARG H A 2 ARG HD2 1.0 1.990 6.574 3 3 A 2 ARG H A 2 ARG HBy 1.0 1.734 3.346 4 4 A 2 ARG H A 2 ARG HBx 1.0 1.908 4.378 5 5 A 2 ARG HA A 2 ARG HBy 1.0 1.741 3.381 6 6 A 2 ARG HA A 2 ARG HBx 1.0 1.830 3.834 7 7 A 2 ARG HBy A 2 ARG HBx 1.0 1.753 3.435 8 8 A 2 ARG H A 2 ARG HA 1.0 1.582 2.760 9 9 A 2 ARG H A 2 ARG HD2 1.0 1.993 5.563 10 10 A 2 ARG H A 2 ARG HBy 1.0 1.790 3.620 11 11 A 2 ARG H A 2 ARG HBx 1.0 1.945 4.737 12 12 A 2 ARG H A 2 ARG HBx 1.0 1.942 4.704 13 13 A 2 ARG HD2 A 2 ARG HBy 1.0 1.851 3.965 14 14 A 2 ARG HD2 A 2 ARG HBx 1.0 1.829 3.835 15 15 A 2 ARG HD2 A 2 ARG HBx 1.0 1.843 3.915 16 16 A 2 ARG HBy A 2 ARG HBx 1.0 1.713 3.257 17 17 A 2 ARG HBy A 2 ARG HBx 1.0 1.695 3.183 18 18 A 2 ARG HD2 A 2 ARG HE 1.0 1.836 3.874 19 19 A 2 ARG HBy A 2 ARG HE 1.0 1.984 5.290 20 20 A 2 ARG HBx A 2 ARG HE 1.0 1.970 5.052 21 21 A 2 ARG HA A 2 ARG HBy 1.0 1.802 3.680 22 22 A 3 ASP H A 3 ASP HA 1.0 1.836 3.870 23 23 A 3 ASP H A 3 ASP HBy 1.0 1.787 3.603 24 24 A 3 ASP H A 3 ASP HBx 1.0 1.792 3.630 25 25 A 3 ASP HA A 3 ASP HBy 1.0 1.770 3.520 26 26 A 3 ASP HA A 3 ASP HBx 1.0 1.733 3.341 27 27 A 14 ASN HBy A 14 ASN HBx 1.0 1.623 2.905 28 28 A 3 ASP HBy A 3 ASP HBx 1.0 1.505 2.517 29 29 A 3 ASP H A 3 ASP HA 1.0 1.859 4.017 30 30 A 3 ASP H A 3 ASP HBy 1.0 1.839 3.893 31 31 A 3 ASP H A 3 ASP HBx 1.0 1.843 3.911 32 32 A 3 ASP HA A 3 ASP HBy 1.0 1.790 3.618 33 33 A 3 ASP HA A 3 ASP HBx 1.0 1.774 3.536 34 34 A 3 ASP HBy A 3 ASP HBx 1.0 1.419 2.271 35 35 A 4 GLU H A 4 GLU HA 1.0 1.840 3.892 36 36 A 4 GLU H A 4 GLU HG2 1.0 1.873 4.107 37 37 A 4 GLU H A 4 GLU HBy 1.0 1.847 3.937 38 38 A 4 GLU H A 4 GLU HBx 1.0 1.790 3.618 39 39 A 4 GLU HA A 4 GLU HG2 1.0 1.856 3.998 40 40 A 4 GLU HA A 4 GLU HBy 1.0 1.672 3.090 41 41 A 4 GLU HA A 4 GLU HBx 1.0 1.806 3.704 42 42 A 4 GLU HG2 A 4 GLU HBy 1.0 1.867 4.065 43 43 A 4 GLU HG2 A 4 GLU HBx 1.0 1.880 4.160 44 44 A 4 GLU HBy A 4 GLU HBx 1.0 1.536 2.608 45 45 A 4 GLU H A 4 GLU HA 1.0 1.824 3.802 46 46 A 4 GLU H A 4 GLU HG2 1.0 1.949 4.769 47 47 A 4 GLU H A 4 GLU HBy 1.0 1.884 4.184 48 48 A 4 GLU H A 4 GLU HBx 1.0 1.851 3.963 49 49 A 4 GLU HA A 4 GLU HG2 1.0 1.940 4.668 50 50 A 4 GLU HA A 4 GLU HBy 1.0 1.725 3.309 51 51 A 4 GLU HA A 4 GLU HBx 1.0 1.831 3.843 52 52 A 4 GLU HG2 A 4 GLU HBy 1.0 1.760 3.470 53 53 A 4 GLU HG2 A 4 GLU HBx 1.0 1.767 3.505 54 54 A 4 GLU HBy A 4 GLU HBx 1.0 1.505 2.515 55 55 A 5 CYS H A 5 CYS HA 1.0 1.820 3.776 56 56 A 5 CYS H A 5 CYS HBy 1.0 1.686 3.146 57 57 A 5 CYS H A 5 CYS HBx 1.0 1.728 3.320 58 58 A 5 CYS HA A 5 CYS HBy 1.0 1.927 4.537 59 59 A 5 CYS HA A 5 CYS HBx 1.0 1.837 3.879 60 60 A 5 CYS HBy A 5 CYS HBx 1.0 1.469 2.411 61 61 A 5 CYS H A 5 CYS HA 1.0 1.810 3.722 62 62 A 5 CYS H A 5 CYS HBy 1.0 1.716 3.268 63 63 A 5 CYS H A 5 CYS HBx 1.0 1.804 3.692 64 64 A 5 CYS HA A 5 CYS HBy 1.0 1.752 3.430 65 65 A 5 CYS HA A 5 CYS HBx 1.0 1.894 4.270 66 66 A 5 CYS HBy A 5 CYS HBx 1.0 1.444 2.338 67 67 A 6 CYS H A 6 CYS HA 1.0 1.862 4.032 68 68 A 6 CYS H A 6 CYS HBy 1.0 1.772 3.524 69 69 A 6 CYS H A 6 CYS HBx 1.0 1.748 3.412 70 70 A 6 CYS HA A 6 CYS HBy 1.0 1.786 3.598 71 71 A 6 CYS HA A 6 CYS HBx 1.0 1.805 3.697 72 72 A 6 CYS HBy A 6 CYS HBx 1.0 1.550 2.654 73 73 A 6 CYS H A 6 CYS HA 1.0 1.846 3.936 74 74 A 6 CYS H A 6 CYS HBy 1.0 1.826 3.816 75 75 A 6 CYS H A 6 CYS HBx 1.0 1.824 3.802 76 76 A 6 CYS HA A 6 CYS HBy 1.0 1.807 3.709 77 77 A 6 CYS HA A 6 CYS HBx 1.0 1.922 4.492 78 78 A 6 CYS HBy A 6 CYS HBx 1.0 1.516 2.548 79 79 A 7 SER H A 7 SER HA 1.0 1.866 4.062 80 80 A 7 SER H A 7 SER HBy 1.0 1.842 3.908 81 81 A 7 SER H A 7 SER HBx 1.0 1.825 3.811 82 82 A 7 SER H A 7 SER HA 1.0 1.830 3.842 83 83 A 7 SER H A 7 SER HBy 1.0 1.871 4.099 84 84 A 7 SER H A 7 SER HBx 1.0 1.885 4.203 85 85 A 7 SER HA A 7 SER HBy 1.0 1.719 3.283 86 86 A 7 SER HA A 7 SER HBx 1.0 1.662 3.050 87 87 A 7 SER HA A 7 SER HBy 1.0 1.858 4.010 88 88 A 7 SER HA A 7 SER HBx 1.0 1.809 3.719 89 89 A 7 SER HBy A 7 SER HBx 1.0 1.422 2.276 90 90 A 7 SER HBy A 7 SER HBx 1.0 1.411 2.247 91 91 A 8 ASN H A 8 ASN HA 1.0 1.878 4.142 92 92 A 8 ASN H A 8 ASN HBy 1.0 1.810 3.722 93 93 A 8 ASN H A 8 ASN HBx 1.0 1.831 3.845 94 94 A 8 ASN HA A 8 ASN HBy 1.0 1.918 4.466 95 95 A 8 ASN HA A 8 ASN HBx 1.0 1.852 3.976 96 96 A 8 ASN HBy A 8 ASN HBx 1.0 1.582 2.758 97 97 A 8 ASN H A 8 ASN HA 1.0 1.948 4.762 98 98 A 8 ASN H A 8 ASN HBy 1.0 1.843 3.915 99 99 A 8 ASN H A 8 ASN HBx 1.0 1.847 3.937 100 100 A 8 ASN HA A 8 ASN HBy 1.0 1.862 4.036 101 101 A 8 ASN HA A 8 ASN HBx 1.0 1.781 3.571 102 102 A 8 ASN HBy A 8 ASN HBx 1.0 1.559 2.687 103 103 A 18 VAL H A 18 VAL HA 1.0 1.849 3.949 104 104 A 18 VAL H A 18 VAL HB 1.0 1.767 3.505 105 105 A 18 VAL H A 18 VAL HGx% 1.0 1.725 3.305 106 106 A 18 VAL H A 18 VAL HGy% 1.0 1.908 4.374 107 107 A 18 VAL HA A 18 VAL HGx% 1.0 1.704 3.222 108 108 A 18 VAL HA A 18 VAL HGy% 1.0 1.747 3.407 109 109 A 18 VAL HA A 18 VAL HB 1.0 1.672 3.090 110 110 A 18 VAL HB A 18 VAL HGx% 1.0 1.657 3.031 111 111 A 18 VAL HB A 18 VAL HGy% 1.0 1.741 3.381 112 112 A 18 VAL H A 18 VAL HA 1.0 1.830 3.836 113 113 A 18 VAL H A 18 VAL HB 1.0 1.814 3.746 114 114 A 18 VAL H A 18 VAL HGx% 1.0 1.758 3.458 115 115 A 18 VAL H A 18 VAL HGy% 1.0 1.911 4.397 116 116 A 18 VAL HA A 18 VAL HB 1.0 1.734 3.350 117 117 A 18 VAL HA A 18 VAL HGx% 1.0 1.780 3.568 118 118 A 18 VAL HA A 18 VAL HGy% 1.0 1.754 3.442 119 119 A 18 VAL HB A 18 VAL HGx% 1.0 1.631 2.931 120 120 A 18 VAL HB A 18 VAL HGy% 1.0 1.670 3.080 121 121 A 11 CYS H A 11 CYS HA 1.0 1.794 3.640 122 122 A 11 CYS H A 11 CYS HBy 1.0 1.787 3.603 123 123 A 11 CYS H A 11 CYS HBx 1.0 1.740 3.378 124 124 A 11 CYS HA A 11 CYS HBx 1.0 1.723 3.299 125 125 A 11 CYS HA A 11 CYS HBy 1.0 1.690 3.160 126 126 A 11 CYS HBy A 11 CYS HBx 1.0 1.688 3.152 127 127 A 11 CYS H A 11 CYS HA 1.0 1.832 3.850 128 128 A 11 CYS H A 11 CYS HBy 1.0 1.841 3.905 129 129 A 11 CYS H A 11 CYS HBx 1.0 1.757 3.455 130 130 A 11 CYS HA A 11 CYS HBy 1.0 1.705 3.223 131 131 A 11 CYS HA A 11 CYS HBx 1.0 1.666 3.064 132 132 A 12 ARG H A 12 ARG HA 1.0 1.830 3.834 133 133 A 12 ARG H A 12 ARG HD2 1.0 1.821 3.783 134 134 A 12 ARG H A 12 ARG HGy 1.0 1.760 3.470 135 135 A 12 ARG H A 12 ARG HGx 1.0 1.798 3.662 136 136 A 12 ARG H A 12 ARG HBy 1.0 1.891 4.241 137 137 A 12 ARG H A 12 ARG HBx 1.0 1.923 4.505 138 138 A 12 ARG HA A 12 ARG HD2 1.0 1.952 7.288 139 139 A 12 ARG HA A 12 ARG HGy 1.0 1.704 3.220 140 140 A 12 ARG HA A 12 ARG HGx 1.0 1.811 3.729 141 141 A 12 ARG HA A 12 ARG HBy 1.0 1.850 3.958 142 142 A 12 ARG HA A 12 ARG HBx 1.0 1.870 4.088 143 143 A 12 ARG HD2 A 12 ARG HGy 1.0 1.813 3.743 144 144 A 12 ARG HD2 A 12 ARG HGx 1.0 1.807 3.709 145 145 A 12 ARG HD2 A 12 ARG HBy 1.0 1.732 3.340 146 146 A 12 ARG HD2 A 12 ARG HBx 1.0 1.736 3.354 147 147 A 12 ARG HGy A 12 ARG HGx 1.0 1.638 2.956 148 148 A 12 ARG HGy A 12 ARG HBy 1.0 1.869 4.085 149 149 A 12 ARG HGy A 12 ARG HBx 1.0 1.910 4.394 150 150 A 12 ARG HGx A 12 ARG HBy 1.0 1.791 3.625 151 151 A 12 ARG HGx A 12 ARG HBx 1.0 1.833 3.859 152 152 A 12 ARG HBy A 12 ARG HBx 1.0 1.628 2.920 153 153 A 12 ARG HBy A 12 ARG HBx 1.0 1.600 2.824 154 154 A 12 ARG HGx A 12 ARG HBy 1.0 1.726 3.310 155 155 A 12 ARG HGx A 12 ARG HBx 1.0 1.771 3.521 156 156 A 12 ARG HGy A 12 ARG HGx 1.0 1.622 2.898 157 157 A 12 ARG HGy A 12 ARG HBy 1.0 1.800 3.670 158 158 A 12 ARG HGy A 12 ARG HBx 1.0 1.857 4.007 159 159 A 12 ARG HD2 A 12 ARG HGy 1.0 1.819 3.775 160 160 A 12 ARG HD2 A 12 ARG HGx 1.0 1.817 3.763 161 161 A 12 ARG HD2 A 12 ARG HBy 1.0 1.748 3.414 162 162 A 12 ARG HD2 A 12 ARG HBx 1.0 1.745 3.399 163 163 A 12 ARG HA A 12 ARG HGy 1.0 1.777 3.549 164 164 A 12 ARG HA A 12 ARG HGx 1.0 1.877 4.141 165 165 A 12 ARG HA A 12 ARG HBy 1.0 1.898 4.294 166 166 A 12 ARG HA A 12 ARG HBx 1.0 1.906 4.358 167 167 A 9 PRO HA A 9 PRO HBy 1.0 1.792 3.628 168 167 A 12 ARG HGy A 9 PRO HA 1.0 1.792 3.628 169 168 A 2 ARG HD2 A 2 ARG HE 1.0 1.841 3.905 170 169 A 2 ARG HBy A 2 ARG HE 1.0 1.998 5.716 171 170 A 2 ARG HBx A 2 ARG HE 1.0 1.984 5.300 172 171 A 12 ARG HD2 A 12 ARG HE 1.0 1.744 3.394 173 172 A 12 ARG HGy A 12 ARG HE 1.0 1.960 4.916 174 173 A 12 ARG HGx A 12 ARG HE 1.0 1.947 4.757 175 174 A 12 ARG HBy A 12 ARG HE 1.0 1.931 4.589 176 175 A 12 ARG HBx A 12 ARG HE 1.0 1.927 4.543 177 176 A 12 ARG HD2 A 12 ARG HE 1.0 1.736 3.358 178 177 A 12 ARG HBy A 12 ARG HE 1.0 1.937 4.641 179 178 A 12 ARG HBx A 12 ARG HE 1.0 1.929 4.567 180 179 A 13 VAL H A 13 VAL HA 1.0 1.832 3.848 181 180 A 13 VAL H A 13 VAL HB 1.0 1.732 3.338 182 181 A 13 VAL H A 13 VAL HGx% 1.0 1.847 3.943 183 182 A 13 VAL H A 13 VAL HGy% 1.0 1.769 3.509 184 183 A 13 VAL HA A 13 VAL HB 1.0 1.705 3.225 185 184 A 13 VAL HA A 13 VAL HGy% 1.0 1.762 3.476 186 185 A 1 ILE HA A 1 ILE HG2% 1.0 1.735 3.353 187 186 A 13 VAL HA A 13 VAL HGx% 1.0 1.736 3.356 188 187 A 13 VAL HB A 13 VAL HGy% 1.0 1.797 3.653 189 188 A 13 VAL HB A 13 VAL HGx% 1.0 1.710 3.244 190 189 A 13 VAL H A 13 VAL HA 1.0 1.768 3.508 191 190 A 13 VAL H A 13 VAL HB 1.0 1.775 3.543 192 191 A 13 VAL H A 13 VAL HGy% 1.0 1.789 3.611 193 192 A 13 VAL H A 13 VAL HGx% 1.0 1.896 4.278 194 193 A 13 VAL HA A 13 VAL HB 1.0 1.778 3.558 195 194 A 13 VAL HA A 13 VAL HGy% 1.0 1.795 3.645 196 195 A 13 VAL HA A 13 VAL HGx% 1.0 1.767 3.501 197 196 A 13 VAL HB A 13 VAL HGy% 1.0 1.753 3.433 198 197 A 13 VAL HB A 13 VAL HGx% 1.0 1.651 3.007 199 198 A 13 VAL HGx% A 13 VAL HGy% 1.0 1.576 2.740 200 199 A 14 ASN H A 14 ASN HA 1.0 1.855 3.991 201 200 A 14 ASN HBy A 14 ASN H 1.0 1.865 4.061 202 201 A 14 ASN HBx A 14 ASN H 1.0 1.807 3.707 203 202 A 14 ASN HBy A 14 ASN HA 1.0 1.825 3.811 204 203 A 14 ASN HBx A 14 ASN HA 1.0 1.948 4.762 205 204 A 3 ASP HBy A 3 ASP HBx 1.0 1.656 3.024 206 205 A 14 ASN H A 14 ASN HA 1.0 1.878 4.140 207 206 A 14 ASN HBy A 14 ASN H 1.0 1.898 4.302 208 207 A 14 ASN HBx A 14 ASN H 1.0 1.842 3.908 209 208 A 14 ASN HBy A 14 ASN HA 1.0 1.809 3.717 210 209 A 14 ASN HBy A 14 ASN HBx 1.0 1.525 2.577 211 210 A 15 ASN H A 15 ASN HA 1.0 1.852 3.970 212 211 A 15 ASN H A 15 ASN HBy 1.0 1.846 3.938 213 212 A 15 ASN H A 15 ASN HBx 1.0 1.723 3.301 214 213 A 15 ASN H A 15 ASN HBy 1.0 1.824 3.802 215 214 A 15 ASN H A 15 ASN HBx 1.0 1.811 3.731 216 215 A 15 ASN HA A 15 ASN HBx 1.0 1.790 3.620 217 216 A 10 VAL H A 10 VAL HA 1.0 1.816 3.756 218 217 A 10 VAL H A 10 VAL HB 1.0 1.653 3.013 219 218 A 10 VAL H A 10 VAL HGx% 1.0 1.725 3.307 220 219 A 10 VAL H A 10 VAL HGy% 1.0 1.916 4.446 221 220 A 10 VAL H A 10 VAL HA 1.0 1.815 3.753 222 221 A 10 VAL H A 10 VAL HB 1.0 1.722 3.296 223 222 A 10 VAL H A 10 VAL HGx% 1.0 1.736 3.358 224 223 A 10 VAL H A 10 VAL HGy% 1.0 1.954 4.838 225 224 A 10 VAL HA A 10 VAL HB 1.0 1.810 3.722 226 225 A 10 VAL HA A 10 VAL HGx% 1.0 1.689 3.155 227 226 A 10 VAL HA A 10 VAL HGy% 1.0 1.767 3.505 228 227 A 10 VAL HB A 10 VAL HGx% 1.0 1.715 3.263 229 228 A 10 VAL HB A 10 VAL HGy% 1.0 1.739 3.373 230 229 A 10 VAL HGx% A 10 VAL HGy% 1.0 1.868 4.076 231 230 A 10 VAL HA A 10 VAL HB 1.0 1.851 3.963 232 231 A 10 VAL HA A 10 VAL HGx% 1.0 1.721 3.291 233 232 A 10 VAL HA A 10 VAL HGy% 1.0 1.781 3.571 234 233 A 10 VAL HB A 10 VAL HGx% 1.0 1.638 2.958 235 234 A 10 VAL HB A 10 VAL HGy% 1.0 1.676 3.102 236 235 A 10 VAL HGx% A 10 VAL HGy% 1.0 1.590 2.788 237 236 A 17 HIS H A 17 HIS HA 1.0 1.775 3.539 238 237 A 17 HIS H A 17 HIS HBy 1.0 1.888 4.222 239 238 A 17 HIS H A 17 HIS HBx 1.0 1.835 3.869 240 239 A 17 HIS HA A 17 HIS HBy 1.0 1.851 3.969 241 240 A 17 HIS HA A 17 HIS HBx 1.0 0.358 14.892 242 241 A 17 HIS HBy A 17 HIS HBx 1.0 1.562 2.696 243 242 A 17 HIS H A 17 HIS HA 1.0 1.840 3.896 244 243 A 17 HIS H A 17 HIS HBy 1.0 1.926 4.532 245 244 A 17 HIS H A 17 HIS HBx 1.0 1.885 4.197 246 245 A 17 HIS HA A 17 HIS HBy 1.0 1.853 3.979 247 246 A 17 HIS HA A 17 HIS HBx 1.0 1.864 4.050 248 247 A 17 HIS HBy A 17 HIS HBx 1.0 1.507 2.521 249 248 A 19 CYS H A 19 CYS HA 1.0 1.895 4.273 250 249 A 19 CYS H A 19 CYS HBy 1.0 1.929 4.571 251 250 A 19 CYS H A 19 CYS HBx 1.0 1.845 3.931 252 251 A 19 CYS HBy A 19 CYS HBx 1.0 1.543 2.633 253 252 A 19 CYS H A 19 CYS HBy 1.0 1.886 4.204 254 253 A 19 CYS H A 19 CYS HBx 1.0 1.864 4.046 255 254 A 1 ILE HA A 1 ILE HB 1.0 1.830 3.840 256 255 A 1 ILE HA A 1 ILE HG1y 1.0 2.000 5.898 257 256 A 1 ILE HA A 1 ILE HG1x 1.0 1.999 5.827 258 257 A 1 ILE HB A 1 ILE HG1x 1.0 1.978 5.194 259 258 A 1 ILE HA A 1 ILE HD1% 1.0 1.972 5.070 260 259 A 1 ILE HG2% A 1 ILE HB 1.0 1.897 4.289 261 260 A 1 ILE HB A 1 ILE HD1% 1.0 1.999 5.781 262 261 A 1 ILE HG1x A 1 ILE HD1% 1.0 1.951 7.303 263 262 A 1 ILE HA A 1 ILE HB 1.0 1.854 3.986 264 263 A 1 ILE HA A 1 ILE HG1y 1.0 2.000 5.962 265 264 A 1 ILE HA A 1 ILE HG1x 1.0 1.992 5.484 266 265 A 1 ILE HA A 1 ILE HG2% 1.0 1.764 3.488 267 266 A 1 ILE HB A 1 ILE HG1y 1.0 1.934 4.618 268 267 A 1 ILE HB A 1 ILE HG1x 1.0 1.962 4.926 269 268 A 1 ILE HG2% A 1 ILE HB 1.0 1.760 3.472 270 269 A 1 ILE HB A 1 ILE HD1% 1.0 1.899 4.305 271 270 A 1 ILE HG1y A 1 ILE HG1x 1.0 1.733 3.343 272 271 A 1 ILE HG1y A 1 ILE HG1x 1.0 1.742 3.388 273 272 A 4 GLU H A 5 CYS H 1.0 1.845 3.927 274 273 A 4 GLU H A 6 CYS H 1.0 1.960 7.176 275 274 A 17 HIS H A 19 CYS H 1.0 1.969 7.017 276 275 A 18 VAL H A 17 HIS H 1.0 1.829 3.835 277 276 A 5 CYS H A 6 CYS H 1.0 1.834 3.866 278 277 A 5 CYS H A 7 SER H 1.0 1.999 6.205 279 278 A 3 ASP H A 4 GLU H 1.0 1.859 4.017 280 279 A 8 ASN H A 12 ARG H 1.0 1.999 6.165 281 280 A 11 CYS H A 12 ARG H 1.0 1.787 3.605 282 281 A 12 ARG H A 10 VAL H 1.0 1.991 5.471 283 282 A 12 ARG H A 13 VAL H 1.0 1.833 3.857 284 283 A 6 CYS H A 7 SER H 1.0 1.827 3.821 285 284 A 7 SER H A 8 ASN H 1.0 1.779 3.563 286 285 A 18 VAL H A 19 CYS H 1.0 1.793 3.635 287 286 A 11 CYS H A 10 VAL H 1.0 1.725 3.305 288 287 A 5 CYS H A 6 CYS H 1.0 1.825 3.811 289 288 A 4 GLU H A 6 CYS H 1.0 2.000 5.998 290 289 A 6 CYS H A 7 SER H 1.0 1.832 3.850 291 290 A 7 SER H A 8 ASN H 1.0 1.747 3.405 292 291 A 5 CYS H A 7 SER H 1.0 1.996 5.624 293 292 A 8 ASN H A 12 ARG H 1.0 1.987 5.357 294 293 A 18 VAL H A 19 CYS H 1.0 1.786 3.596 295 294 A 6 CYS H A 8 ASN H 1.0 1.987 5.365 296 295 A 11 CYS H A 10 VAL H 1.0 1.748 3.412 297 296 A 4 GLU H A 5 CYS H 1.0 1.815 3.755 298 297 A 8 ASN HA A 10 VAL H 1.0 1.986 5.342 299 298 A 8 ASN HA A 9 PRO HDy 1.0 1.668 3.076 300 299 A 9 PRO HA A 9 PRO HDy 1.0 1.971 5.071 301 300 A 9 PRO HA A 9 PRO HBx 1.0 1.707 3.233 302 301 A 11 CYS HBy A 12 ARG HGy 1.0 1.750 3.424 303 301 A 12 ARG HGy A 9 PRO HA 1.0 1.750 3.424 304 302 A 9 PRO HA A 9 PRO HG2 1.0 1.961 4.929 305 303 A 9 PRO HA A 9 PRO HDx 1.0 1.950 4.788 306 304 A 9 PRO HDy A 9 PRO HDx 1.0 1.513 2.541 307 305 A 9 PRO HDy A 9 PRO HBx 1.0 1.963 4.955 308 306 A 9 PRO HDy A 9 PRO HG2 1.0 1.847 3.941 309 307 A 9 PRO HA A 9 PRO HBy 1.0 1.816 3.758 310 308 A 9 PRO HBy A 9 PRO HDy 1.0 1.811 3.731 311 309 A 9 PRO HBx A 9 PRO HDx 1.0 1.977 5.175 312 310 A 9 PRO HG2 A 9 PRO HDx 1.0 1.794 3.638 313 311 A 9 PRO HBy A 9 PRO HDx 1.0 1.791 3.621 314 312 A 9 PRO HBx A 9 PRO HG2 1.0 1.868 4.080 315 313 A 9 PRO HBy A 9 PRO HBx 1.0 1.678 3.110 316 314 A 9 PRO HBy A 9 PRO HG2 1.0 1.574 2.734 317 315 A 11 CYS HBy A 11 CYS HBx 1.0 1.615 2.873 318 316 A 9 PRO HA A 9 PRO HBx 1.0 1.731 3.337 319 317 A 9 PRO HA A 9 PRO HG2 1.0 1.953 4.829 320 318 A 9 PRO HA A 9 PRO HBy 1.0 1.876 4.136 321 319 A 9 PRO HBy A 9 PRO HDy 1.0 1.853 3.979 322 320 A 9 PRO HDy A 9 PRO HG2 1.0 1.847 3.935 323 321 A 9 PRO HDy A 9 PRO HBx 1.0 1.993 5.537 324 322 A 9 PRO HDy A 9 PRO HDx 1.0 1.421 2.275 325 323 A 9 PRO HBx A 9 PRO HDx 1.0 1.985 5.321 326 324 A 9 PRO HG2 A 9 PRO HDx 1.0 1.799 3.667 327 325 A 9 PRO HBy A 9 PRO HDx 1.0 1.860 4.024 328 326 A 9 PRO HBx A 9 PRO HG2 1.0 1.790 3.620 329 327 A 9 PRO HBy A 9 PRO HBx 1.0 1.752 3.432 330 328 A 9 PRO HBy A 9 PRO HG2 1.0 1.544 2.638 331 329 A 16 HYP HA A 16 HYP HD22 1.0 1.997 5.699 332 330 A 16 HYP HA A 16 HYP HBy 1.0 1.647 2.993 333 331 A 16 HYP HA A 16 HYP HBx 1.0 1.759 3.463 334 332 A 16 HYP HG A 16 HYP HD1 1.0 1.785 3.591 335 333 A 16 HYP HD22 A 16 HYP HG 1.0 1.832 3.848 336 334 A 16 HYP HBy A 16 HYP HG 1.0 1.844 3.924 337 335 A 16 HYP HBx A 16 HYP HG 1.0 1.766 3.498 338 336 A 16 HYP HD22 A 16 HYP HD1 1.0 1.529 2.589 339 337 A 16 HYP HBy A 16 HYP HD1 1.0 1.979 5.207 340 338 A 16 HYP HBx A 16 HYP HD1 1.0 1.922 4.498 341 339 A 16 HYP HD22 A 16 HYP HBy 1.0 1.956 4.852 342 340 A 16 HYP HD22 A 16 HYP HBx 1.0 1.967 5.003 343 341 A 16 HYP HBy A 16 HYP HBx 1.0 1.563 2.699 344 342 A 16 HYP HBy A 16 HYP HBx 1.0 1.566 2.708 345 343 A 16 HYP HD22 A 16 HYP HBx 1.0 1.986 5.352 346 344 A 16 HYP HD22 A 16 HYP HBy 1.0 1.952 4.808 347 345 A 16 HYP HBx A 16 HYP HD1 1.0 1.935 4.619 348 346 A 16 HYP HBy A 16 HYP HD1 1.0 1.979 5.201 349 347 A 16 HYP HD22 A 16 HYP HD1 1.0 1.570 2.722 350 348 A 16 HYP HG A 16 HYP HD1 1.0 1.858 4.012 351 349 A 16 HYP HD22 A 16 HYP HG 1.0 1.955 4.847 352 350 A 16 HYP HBy A 16 HYP HG 1.0 1.903 4.339 353 351 A 16 HYP HBx A 16 HYP HG 1.0 1.825 3.805 354 352 A 3 ASP HA A 4 GLU H 1.0 1.662 3.048 355 353 A 2 ARG HA A 4 GLU H 1.0 1.987 6.661 356 354 A 17 HIS H A 16 HYP HA 1.0 1.757 3.453 357 355 A 3 ASP HA A 5 CYS H 1.0 1.962 4.924 358 356 A 3 ASP HA A 6 CYS H 1.0 1.996 5.628 359 357 A 4 GLU HA A 5 CYS H 1.0 1.797 3.653 360 358 A 11 CYS HBy A 12 ARG H 1.0 1.841 3.901 361 359 A 11 CYS HA A 12 ARG H 1.0 1.888 4.216 362 360 A 18 VAL HA A 19 CYS H 1.0 1.843 3.913 363 361 A 7 SER HA A 8 ASN H 1.0 1.942 4.694 364 362 A 7 SER HBy A 8 ASN H 1.0 1.971 5.071 365 363 A 7 SER HBx A 8 ASN H 1.0 1.967 5.013 366 364 A 2 ARG H A 1 ILE HA 1.0 1.676 3.102 367 365 A 12 ARG HGy A 13 VAL H 1.0 1.909 4.389 368 366 A 12 ARG HGx A 13 VAL H 1.0 1.863 4.045 369 367 A 12 ARG HBy A 12 ARG HE 1.0 1.982 5.258 370 368 A 12 ARG HBx A 13 VAL H 1.0 1.970 5.050 371 369 A 11 CYS H A 10 VAL HB 1.0 1.767 3.501 372 370 A 10 VAL H A 9 PRO HG2 1.0 1.920 4.484 373 371 A 18 VAL HB A 19 CYS H 1.0 1.923 4.503 374 372 A 17 HIS H A 16 HYP HBy 1.0 1.938 4.656 375 373 A 2 ARG H A 1 ILE HB 1.0 1.889 4.227 376 374 A 17 HIS H A 16 HYP HBx 1.0 1.947 4.743 377 375 A 18 VAL HGx% A 19 CYS H 1.0 1.920 4.484 378 376 A 18 VAL HGx% A 15 ASN HD21 1.0 1.989 5.427 379 377 A 17 HIS H A 19 CYS H 1.0 1.998 6.278 380 378 A 18 VAL H A 17 HIS H 1.0 1.836 3.872 381 379 A 11 CYS H A 12 ARG H 1.0 1.783 3.581 382 380 A 12 ARG H A 10 VAL H 1.0 1.999 5.781 383 381 A 12 ARG H A 13 VAL H 1.0 1.859 4.017 384 382 A 15 ASN HA A 17 HIS H 1.0 2.000 6.008 385 383 A 10 VAL H A 9 PRO HDx 1.0 1.905 4.355 386 384 A 10 VAL H A 9 PRO HDy 1.0 1.999 5.813 387 385 A 11 CYS HBy A 10 VAL H 1.0 1.967 4.995 388 386 A 5 CYS HA A 8 ASN HBy 1.0 1.953 4.813 389 387 A 12 ARG HGx A 9 PRO HA 1.0 1.861 4.033 390 388 A 12 ARG HBy A 9 PRO HA 1.0 1.974 5.112 391 389 A 12 ARG HBx A 9 PRO HA 1.0 1.971 5.077 392 390 A 13 VAL HB A 10 VAL HA 1.0 1.944 4.724 393 391 A 15 ASN HBx A 16 HYP HD22 1.0 1.985 5.321 394 392 A 15 ASN HBx A 16 HYP HD1 1.0 1.974 5.118 395 393 A 12 ARG HA A 15 ASN HBx 1.0 1.958 4.888 396 394 A 6 CYS HA A 12 ARG HGy 1.0 1.865 4.057 397 395 A 18 VAL HB A 15 ASN HBx 1.0 1.870 4.088 398 396 A 18 VAL HB A 15 ASN HBx 1.0 1.937 4.649 399 397 A 1 ILE HB A 1 ILE HG1y 1.0 1.950 4.786 400 398 A 6 CYS HA A 12 ARG HA 1.0 1.994 5.574 401 399 A 8 ASN HBy A 11 CYS H 1.0 1.906 4.362 402 400 A 7 SER H A 12 ARG HD2 1.0 1.975 5.131 403 401 A 11 CYS H A 10 VAL HA 1.0 1.934 4.618 404 402 A 13 VAL H A 10 VAL HA 1.0 1.989 5.441 405 403 A 13 VAL HA A 14 ASN H 1.0 1.920 4.482 406 404 A 2 ARG HA A 3 ASP H 1.0 1.599 2.817 407 405 A 15 ASN H A 16 HYP HD22 1.0 1.936 4.628 408 406 A 12 ARG HA A 13 VAL H 1.0 1.937 4.645 409 407 A 17 HIS H A 16 HYP HD1 1.0 1.999 5.761 410 408 A 3 ASP HBy A 4 GLU H 1.0 1.923 4.509 411 409 A 3 ASP HBx A 4 GLU H 1.0 1.891 4.243 412 410 A 5 CYS HBx A 6 CYS H 1.0 1.820 3.784 413 410 A 6 CYS H A 19 CYS HBx 1.0 1.820 3.784 414 411 A 8 ASN HBx A 8 ASN HD21 1.0 1.841 3.905 415 412 A 3 ASP HBx A 4 GLU H 1.0 1.926 4.536 416 413 A 3 ASP HBy A 4 GLU H 1.0 1.953 4.827 417 414 A 2 ARG H A 1 ILE HA 1.0 1.640 2.968 418 415 A 3 ASP HA A 4 GLU H 1.0 1.644 2.978 419 416 A 17 HIS H A 16 HYP HA 1.0 1.739 3.369 420 417 A 4 GLU H A 5 CYS HA 1.0 1.993 5.533 421 418 A 4 GLU HA A 5 CYS H 1.0 1.833 3.857 422 419 A 12 ARG HGx A 9 PRO HA 1.0 1.853 3.977 423 420 A 11 CYS HBy A 12 ARG HBy 1.0 1.941 4.685 424 421 A 12 ARG HBx A 9 PRO HA 1.0 1.927 4.543 425 422 A 6 CYS HA A 12 ARG HGy 1.0 1.891 4.239 426 423 A 13 VAL HB A 10 VAL HA 1.0 1.963 4.953 427 424 A 13 VAL HGy% A 10 VAL HA 1.0 1.888 4.218 428 425 A 8 ASN HBy A 11 CYS HA 1.0 1.976 5.142 429 426 A 8 ASN HBy A 11 CYS HBy 1.0 1.925 4.529 430 427 A 17 HIS H A 16 HYP HD22 1.0 1.999 6.169 431 428 A 4 GLU HBx A 5 CYS H 1.0 1.883 4.187 432 429 A 4 GLU HBy A 5 CYS H 1.0 1.923 4.515 433 430 A 4 GLU HG2 A 5 CYS H 1.0 1.993 5.529 434 431 A 5 CYS H A 8 ASN HBx 1.0 1.968 5.022 435 431 A 8 ASN HBx A 12 ARG H 1.0 1.968 5.022 436 432 A 5 CYS HA A 6 CYS H 1.0 1.972 5.074 437 433 A 8 ASN HBy A 8 ASN HD21 1.0 1.911 4.399 438 434 A 8 ASN HD21 A 8 ASN HD22 1.0 1.499 2.499 439 435 A 8 ASN HA A 8 ASN HD21 1.0 1.972 5.084 440 436 A 11 CYS HBx A 8 ASN HD21 1.0 1.938 7.470 441 437 A 15 ASN H A 16 HYP HA 1.0 1.986 5.326 442 437 A 18 VAL H A 16 HYP HA 1.0 1.986 5.326 443 438 A 18 VAL H A 17 HIS HA 1.0 1.876 4.132 444 439 A 15 ASN HD21 A 15 ASN HD22 1.0 1.518 2.554 445 440 A 15 ASN HBx A 15 ASN HD21 1.0 1.749 3.415 446 441 A 15 ASN HBy A 15 ASN HD21 1.0 1.915 4.439 447 442 A 7 SER H A 8 ASN HBx 1.0 1.894 4.264 448 443 A 14 ASN HD21 A 14 ASN HD22 1.0 1.463 2.391 449 444 A 18 VAL H A 15 ASN HD21 1.0 1.885 4.197 450 445 A 10 VAL H A 9 PRO HBx 1.0 1.981 5.243 451 446 A 2 ARG HD2 A 2 ARG HBy 1.0 1.818 3.768 452 447 A 2 ARG HD2 A 2 ARG HBx 1.0 1.772 3.528 453 448 A 18 VAL HGx% A 17 HIS H 1.0 1.946 4.746 454 448 A 2 ARG H A 1 ILE HG2% 1.0 1.946 4.746 455 449 A 13 VAL HGy% A 10 VAL HA 1.0 1.874 4.118 456 450 A 12 ARG HA A 13 VAL HGx% 1.0 1.890 4.234 457 451 A 15 ASN HD21 A 15 ASN HD22 1.0 1.524 2.572 458 452 A 8 ASN HD21 A 8 ASN HD22 1.0 1.484 2.450 459 453 A 14 ASN HD21 A 14 ASN HD22 1.0 1.457 2.373 460 454 A 14 ASN HBy A 14 ASN HD22 1.0 1.966 4.994 461 455 A 14 ASN HBx A 14 ASN HD22 1.0 1.924 4.520 462 456 A 15 ASN HBy A 15 ASN HD22 1.0 1.931 4.581 463 456 A 13 VAL H A 15 ASN HBy 1.0 1.931 4.581 464 456 A 14 ASN HBx A 13 VAL H 1.0 1.931 4.581 465 457 A 15 ASN HBx A 15 ASN HD22 1.0 1.879 4.157 466 458 A 8 ASN HBx A 12 ARG H 1.0 1.985 5.313 467 459 A 6 CYS HBx A 12 ARG HE 1.0 1.968 5.010 468 459 A 8 ASN HBx A 13 VAL H 1.0 1.968 5.010 469 459 A 14 ASN HBy A 13 VAL H 1.0 1.968 5.010 470 459 A 8 ASN HBx A 12 ARG HE 1.0 1.968 5.010 471 460 A 5 CYS HBx A 11 CYS HA 1.0 1.937 4.639 472 461 A 3 ASP HBy A 4 GLU HA 1.0 1.965 4.973 473 461 A 4 GLU HA A 6 CYS HBx 1.0 1.965 4.973 474 461 A 14 ASN HBy A 11 CYS HA 1.0 1.965 4.973 475 461 A 8 ASN HBx A 11 CYS HA 1.0 1.965 4.973 476 462 A 8 ASN HA A 9 PRO HDx 1.0 1.722 3.294 477 463 A 8 ASN HA A 9 PRO HDy 1.0 1.671 3.085 478 464 A 8 ASN HA A 9 PRO HDx 1.0 1.682 3.126 479 465 A 15 ASN HA A 16 HYP HD1 1.0 1.736 3.354 480 466 A 15 ASN HA A 16 HYP HD22 1.0 1.804 3.692 481 467 A 19 CYS HA A 19 CYS HBy 1.0 1.779 3.561 482 468 A 14 ASN HBy A 15 ASN HA 1.0 1.965 4.971 483 469 A 16 HYP HA A 16 HYP HBy 1.0 1.725 3.311 484 470 A 16 HYP HA A 16 HYP HBx 1.0 1.825 3.807 485 471 A 12 ARG HBy A 15 ASN HBy 1.0 1.995 5.585 486 471 A 12 ARG HBy A 19 CYS HBx 1.0 1.995 5.585 487 471 A 5 CYS HBx A 12 ARG HBy 1.0 1.995 5.585 488 472 A 5 CYS HBx A 12 ARG HBx 1.0 1.999 5.797 489 472 A 12 ARG HBx A 19 CYS HBx 1.0 1.999 5.797 490 472 A 12 ARG HBx A 15 ASN HBy 1.0 1.999 5.797 491 473 A 18 VAL HGx% A 15 ASN HBx 1.0 1.826 3.812 492 474 A 8 ASN HBx A 9 PRO HA 1.0 1.976 5.138 493 475 A 11 CYS H A 10 VAL HGy% 1.0 1.935 4.619 494 476 A 10 VAL HGy% A 14 ASN HD21 1.0 1.918 4.462 495 477 A 13 VAL HGy% A 14 ASN H 1.0 1.973 5.099 496 478 A 13 VAL HGy% A 14 ASN HD21 1.0 2.000 6.178 497 479 A 15 ASN HA A 15 ASN HD21 1.0 1.998 5.770 498 480 A 12 ARG H A 9 PRO HA 1.0 1.884 4.190 499 481 A 17 HIS H A 16 HYP HD1 1.0 1.997 5.707 500 482 A 17 HIS H A 16 HYP HBy 1.0 1.977 5.165 501 483 A 2 ARG H A 1 ILE HB 1.0 1.907 4.369 502 484 A 17 HIS H A 16 HYP HBx 1.0 1.988 5.374 503 485 A 12 ARG H A 12 ARG HBx 1.0 1.964 4.964 504 486 A 12 ARG H A 12 ARG HBy 1.0 1.946 4.746 505 487 A 12 ARG H A 12 ARG HGx 1.0 1.880 4.162 506 488 A 12 ARG H A 12 ARG HGy 1.0 1.844 3.918 507 489 A 18 VAL HB A 19 CYS H 1.0 1.933 4.609 508 490 A 4 GLU HBy A 5 CYS H 1.0 1.968 5.018 509 491 A 4 GLU HG2 A 5 CYS H 1.0 1.998 6.260 510 492 A 5 CYS HA A 6 CYS H 1.0 1.950 4.790 511 493 A 4 GLU HA A 6 CYS H 1.0 1.998 5.734 512 494 A 6 CYS H A 19 CYS HBx 1.0 1.877 4.143 513 495 A 6 CYS HBy A 8 ASN HD21 1.0 1.985 5.329 514 496 A 8 ASN HBx A 8 ASN HD21 1.0 1.873 4.107 515 497 A 8 ASN HBy A 8 ASN HD21 1.0 1.923 4.513 516 498 A 7 SER HA A 8 ASN H 1.0 1.909 4.381 517 499 A 18 VAL HA A 19 CYS H 1.0 1.818 3.768 518 500 A 6 CYS HA A 7 SER H 1.0 1.979 5.201 519 501 A 18 VAL HA A 15 ASN HD21 1.0 1.930 4.566 520 501 A 4 GLU HA A 7 SER H 1.0 1.930 4.566 521 502 A 6 CYS HBy A 7 SER H 1.0 1.948 4.758 522 503 A 7 SER H A 8 ASN HBx 1.0 1.905 4.353 523 503 A 6 CYS HBx A 7 SER H 1.0 1.905 4.353 524 504 A 15 ASN HBx A 15 ASN HD21 1.0 1.813 3.741 525 505 A 11 CYS H A 10 VAL HB 1.0 1.841 3.905 526 506 A 15 ASN HBy A 14 ASN HD21 1.0 1.882 4.172 527 507 A 15 ASN H A 16 HYP HD22 1.0 1.945 4.731 528 508 A 11 CYS H A 10 VAL HA 1.0 1.926 4.534 529 509 A 12 ARG HA A 15 ASN H 1.0 1.910 4.400 530 509 A 12 ARG HA A 14 ASN H 1.0 1.910 4.400 531 510 A 18 VAL H A 16 HYP HA 1.0 1.968 5.020 532 511 A 18 VAL H A 17 HIS HA 1.0 1.889 4.221 533 512 A 10 VAL H A 9 PRO HDx 1.0 1.926 4.532 534 513 A 10 VAL H A 9 PRO HDy 1.0 1.983 5.287 535 514 A 9 PRO HA A 10 VAL H 1.0 1.949 4.779 536 515 A 9 PRO HA A 13 VAL H 1.0 1.916 4.438 537 516 A 15 ASN HBx A 15 ASN HD22 1.0 1.914 4.428 538 517 A 13 VAL H A 10 VAL HA 1.0 1.949 4.775 539 518 A 8 ASN HA A 9 PRO HG2 1.0 1.994 5.542 540 519 A 8 ASN HA A 9 PRO HBy 1.0 1.994 5.544 541 520 A 18 VAL H A 17 HIS HBx 1.0 1.977 5.149 542 521 A 18 VAL H A 17 HIS HBy 1.0 1.971 5.063 543 522 A 6 CYS HA A 7 SER H 1.0 1.998 5.732 544 523 A 5 CYS HBx A 11 CYS HA 1.0 1.952 4.810 545 524 A 14 ASN HBy A 14 ASN HD21 1.0 1.895 4.275 546 525 A 14 ASN HBx A 14 ASN HD21 1.0 1.832 3.852 547 526 A 12 ARG HA A 15 ASN HBx 1.0 1.995 5.617 548 527 A 15 ASN HBx A 16 HYP HD1 1.0 1.998 5.732 549 528 A 10 VAL H A 8 ASN HD21 1.0 2.000 6.004 550 529 A 15 ASN HBx A 16 HYP HD22 1.0 1.981 5.237 551 530 A 18 VAL H A 15 ASN HD22 1.0 1.804 3.694 552 530 A 13 VAL H A 14 ASN H 1.0 1.804 3.694 553 531 A 8 ASN H A 5 CYS O 1.0 1.730 2.700 554 532 A 10 VAL H A 8 ASN O 1.0 1.730 2.700 555 533 A 11 CYS H A 8 ASN O 1.0 1.730 2.700 556 534 A 12 ARG H A 8 ASN O 1.0 1.730 2.700 557 535 A 13 VAL H A 9 PRO O 1.0 1.730 2.700 558 536 A 14 ASN H A 10 VAL O 1.0 1.730 2.700 559 537 A 15 ASN H A 11 CYS O 1.0 1.730 2.700 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 3 ASP C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -113.3 -27.9 PHI 2 2 A 4 GLU N A 4 GLU CA A 4 GLU C A 5 CYS N 1.0 -60.9 24.7 PSI 3 3 A 4 GLU C A 5 CYS N A 5 CYS CA A 5 CYS C 1.0 -91.2 -50.2 PHI 4 4 A 5 CYS N A 5 CYS CA A 5 CYS C A 6 CYS N 1.0 -54.0 -8.4 PSI 5 5 A 5 CYS C A 6 CYS N A 6 CYS CA A 6 CYS C 1.0 -122.3 -44.9 PHI 6 6 A 6 CYS N A 6 CYS CA A 6 CYS C A 7 SER N 1.0 -63.1 9.1 PSI 7 7 A 6 CYS C A 7 SER N A 7 SER CA A 7 SER C 1.0 -104.7 -64.7 PHI 8 8 A 7 SER N A 7 SER CA A 7 SER C A 8 ASN N 1.0 -57.1 33.9 PSI 9 9 A 7 SER C A 8 ASN N A 8 ASN CA A 8 ASN C 1.0 -135.8 -45.0 PHI 10 10 A 8 ASN N A 8 ASN CA A 8 ASN C A 9 PRO N 1.0 66.3 158.7 PSI 11 11 A 8 ASN C A 9 PRO N A 9 PRO CA A 9 PRO C 1.0 -74.0 -34.0 PHI 12 12 A 9 PRO N A 9 PRO CA A 9 PRO C A 10 VAL N 1.0 -53.8 -13.8 PSI 13 13 A 9 PRO C A 10 VAL N A 10 VAL CA A 10 VAL C 1.0 -83.4 -43.4 PHI 14 14 A 10 VAL N A 10 VAL CA A 10 VAL C A 11 CYS N 1.0 -61.9 -21.9 PSI 15 15 A 10 VAL C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 -86.6 -46.6 PHI 16 16 A 11 CYS N A 11 CYS CA A 11 CYS C A 12 ARG N 1.0 -60.2 -20.2 PSI 17 17 A 11 CYS C A 12 ARG N A 12 ARG CA A 12 ARG C 1.0 -81.9 -41.9 PHI 18 18 A 12 ARG N A 12 ARG CA A 12 ARG C A 13 VAL N 1.0 -58.9 -18.9 PSI 19 19 A 12 ARG C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -86.9 -46.9 PHI 20 20 A 13 VAL N A 13 VAL CA A 13 VAL C A 14 ASN N 1.0 -60.7 -6.7 PSI 21 21 A 13 VAL C A 14 ASN N A 14 ASN CA A 14 ASN C 1.0 -115.1 -63.9 PHI 22 22 A 14 ASN N A 14 ASN CA A 14 ASN C A 15 ASN N 1.0 -57.7 31.7 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 2 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 ppm 1H 12.044 aliased 2 ppm 1H 12.000 aliased stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions 2 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 ppm 1H 7.503 aliased 2 ppm 13C 79.993 aliased stop_ save_