data_nef_c30226_5ug5 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 30225 PDB 5UG5 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 ALA middle . . 11 A 11 CYS middle -HG . 12 A 12 ARG middle . . 13 A 13 TYR 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 3.819 0.003 A 1 ILE HB H 1 1.922 0.003 A 1 ILE HD1% H 1 0.877 0.002 A 1 ILE HG1x H 1 1.174 0.003 A 1 ILE HG1y H 1 1.444 0.007 A 1 ILE HG2% H 1 0.943 0.007 A 1 ILE CA C 13 60.236 . A 1 ILE CB C 13 39.143 . A 1 ILE CG1 C 13 26.731 0.003 A 2 ARG H H 1 8.742 0.001 A 2 ARG HA H 1 4.303 0.003 A 2 ARG HBy H 1 1.747 0.007 A 2 ARG HBx H 1 1.583 0.012 A 2 ARG HD2 H 1 3.142 0.0 A 2 ARG HE H 1 7.218 0.0 A 2 ARG CA C 13 56.262 . A 2 ARG CB C 13 27.131 0.004 A 3 ASP H H 1 8.712 0.002 A 3 ASP HA H 1 4.543 0.003 A 3 ASP HBy H 1 2.848 0.005 A 3 ASP HBx H 1 2.786 0.005 A 3 ASP CA C 13 53.433 . A 3 ASP CB C 13 38.749 . A 4 GLU H H 1 8.851 0.002 A 4 GLU HA H 1 4.180 0.004 A 4 GLU HBy H 1 2.124 0.005 A 4 GLU HBx H 1 2.006 0.005 A 4 GLU HG2 H 1 2.438 0.004 A 4 GLU CA C 13 57.466 . A 4 GLU CB C 13 27.792 0.003 A 4 GLU CG C 13 32.971 . A 5 CYS H H 1 8.497 0.005 A 5 CYS HA H 1 4.435 0.003 A 5 CYS HBy H 1 3.195 0.004 A 5 CYS HBx H 1 2.769 0.008 A 5 CYS CA C 13 58.193 . A 6 CYS H H 1 8.135 0.001 A 6 CYS HA H 1 4.307 0.002 A 6 CYS HBy H 1 3.181 0.005 A 6 CYS HBx H 1 2.855 0.005 A 6 CYS CA C 13 56.256 . A 7 SER H H 1 7.836 0.004 A 7 SER HA H 1 4.458 0.002 A 7 SER HBy H 1 3.964 0.002 A 7 SER HBx H 1 3.912 0.01 A 7 SER CA C 13 58.710 . A 7 SER CB C 13 63.615 0.002 A 8 ASN H H 1 7.858 0.007 A 8 ASN HA H 1 5.264 0.003 A 8 ASN HBy H 1 3.147 0.004 A 8 ASN HBx H 1 2.808 0.007 A 8 ASN HD21 H 1 7.869 0.003 A 8 ASN HD22 H 1 7.166 0.01 A 8 ASN CA C 13 49.909 . A 8 ASN CB C 13 40.726 0.013 A 9 PRO HA H 1 4.078 0.002 A 9 PRO HBy H 1 2.362 0.002 A 9 PRO HBx H 1 2.001 0.003 A 9 PRO HDy H 1 4.027 0.005 A 9 PRO HDx H 1 3.904 0.006 A 9 PRO HG2 H 1 2.135 0.003 A 9 PRO CA C 13 65.730 . A 9 PRO CB C 13 32.221 0.008 A 9 PRO CD C 13 51.085 0.003 A 10 ALA H H 1 7.811 0.003 A 10 ALA HA H 1 4.196 0.002 A 10 ALA HB% H 1 1.362 0.002 A 10 ALA CA C 13 54.332 . A 10 ALA CB C 13 18.213 . A 11 CYS H H 1 7.922 0.003 A 11 CYS HA H 1 4.279 0.004 A 11 CYS HBx H 1 3.310 0.003 A 11 CYS HBy H 1 4.005 0.005 A 12 ARG H H 1 8.421 0.003 A 12 ARG HA H 1 3.860 0.002 A 12 ARG HBy H 1 1.868 0.011 A 12 ARG HBx H 1 1.674 0.003 A 12 ARG HDy H 1 3.146 0.002 A 12 ARG HDx H 1 2.653 0.0 A 12 ARG HE H 1 7.249 0.005 A 12 ARG HGy H 1 1.525 0.009 A 12 ARG HGx H 1 1.395 0.005 A 12 ARG CB C 13 30.683 0.007 A 13 TYR H H 1 7.919 0.004 A 13 TYR HA H 1 4.248 0.003 A 13 TYR HBx H 1 3.043 0.001 A 13 TYR HBy H 1 3.052 0.003 A 13 TYR HD1 H 1 7.084 0.002 A 13 TYR HD2 H 1 7.084 0.002 A 13 TYR HE1 H 1 6.774 0.001 A 13 TYR HE2 H 1 6.774 0.001 A 13 TYR CB C 13 38.153 0.001 A 14 ASN H H 1 7.782 0.011 A 14 ASN HA H 1 4.540 0.001 A 14 ASN HBy H 1 2.859 0.007 A 14 ASN HBx H 1 2.713 0.005 A 14 ASN HD21 H 1 7.619 0.001 A 14 ASN HD22 H 1 6.971 0.003 A 14 ASN CA C 13 53.930 . A 14 ASN CB C 13 39.256 0.003 A 15 ASN H H 1 7.651 0.002 A 15 ASN HA H 1 5.040 0.004 A 15 ASN HBy H 1 2.858 0.0 A 15 ASN HBx H 1 2.657 0.003 A 15 ASN HD21 H 1 7.743 0.004 A 15 ASN HD22 H 1 7.247 0.003 A 15 ASN CA C 13 51.439 . A 15 ASN CB C 13 40.049 . A 16 HYP HA H 1 4.459 0.002 A 16 HYP HBy H 1 2.150 0.003 A 16 HYP HBx H 1 1.835 0.005 A 16 HYP HD1 H 1 3.477 0.005 A 16 HYP HD22 H 1 3.719 0.002 A 16 HYP HG H 1 4.278 0.009 A 16 HYP CA C 13 62.893 . A 16 HYP CB C 13 39.137 0.002 A 16 HYP CG C 13 71.859 . A 17 HIS H H 1 8.690 0.001 A 17 HIS HA H 1 4.632 0.002 A 17 HIS HBy H 1 3.293 0.008 A 17 HIS HBx H 1 3.222 0.004 A 17 HIS CA C 13 56.073 . A 17 HIS CB C 13 28.302 0.025 A 18 VAL H H 1 7.678 0.002 A 18 VAL HA H 1 4.182 0.003 A 18 VAL HB H 1 2.136 0.004 A 18 VAL HGx% H 1 0.914 0.007 A 18 VAL HGy% H 1 0.884 0.001 A 18 VAL CA C 13 62.888 . A 18 VAL CB C 13 32.586 . A 19 CYS H H 1 7.938 0.002 A 19 CYS HA H 1 4.727 0.002 A 19 CYS HBy H 1 3.214 0.007 A 19 CYS HBx H 1 2.705 0.003 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 ARG H A 2 ARG HA 1.0 1.777 3.549 2 2 A 3 ASP H A 3 ASP HA 1.0 1.745 3.397 3 3 A 2 ARG HA A 3 ASP H 1.0 1.549 2.653 4 4 A 4 GLU H A 4 GLU HA 1.0 1.785 3.589 5 5 A 5 CYS H A 5 CYS HA 1.0 1.772 3.528 6 6 A 6 CYS H A 6 CYS HA 1.0 1.773 3.535 7 7 A 7 SER H A 7 SER HA 1.0 1.736 3.358 8 8 A 7 SER HA A 8 ASN H 1.0 1.823 3.797 9 9 A 8 ASN H A 8 ASN HA 1.0 1.760 3.468 10 10 A 10 ALA H A 10 ALA HA 1.0 1.719 3.285 11 11 A 11 CYS H A 11 CYS HA 1.0 1.648 2.994 12 12 A 12 ARG H A 12 ARG HA 1.0 1.786 3.600 13 13 A 13 TYR H A 13 TYR HA 1.0 1.679 3.117 14 14 A 14 ASN H A 14 ASN HA 1.0 1.749 3.421 15 15 A 15 ASN H A 15 ASN HA 1.0 1.861 4.027 16 16 A 17 HIS H A 17 HIS HA 1.0 1.716 3.268 17 17 A 18 VAL H A 18 VAL HA 1.0 1.860 4.020 18 18 A 19 CYS H A 19 CYS HA 1.0 1.833 3.853 19 19 A 2 ARG H A 1 ILE HB 1.0 1.832 3.848 20 20 A 2 ARG H A 2 ARG HBy 1.0 1.696 3.186 21 21 A 2 ARG H A 2 ARG HBx 1.0 1.881 4.173 22 22 A 2 ARG HA A 2 ARG HBy 1.0 1.686 3.146 23 23 A 2 ARG HA A 2 ARG HBx 1.0 1.826 3.816 24 24 A 6 CYS HA A 12 ARG HGy 1.0 1.832 3.848 25 25 A 2 ARG HBy A 2 ARG HBx 1.0 1.670 3.078 26 26 A 2 ARG H A 2 ARG HA 1.0 1.601 2.825 27 27 A 2 ARG H A 1 ILE HA 1.0 1.577 2.741 28 28 A 2 ARG H A 2 ARG HBy 1.0 1.741 3.383 29 29 A 2 ARG H A 2 ARG HBx 1.0 1.924 4.512 30 30 A 3 ASP H A 3 ASP HBy 1.0 1.736 3.354 31 31 A 3 ASP H A 3 ASP HBx 1.0 1.731 3.335 32 32 A 3 ASP HA A 3 ASP HBy 1.0 1.634 2.942 33 33 A 3 ASP HA A 3 ASP HBx 1.0 1.686 3.146 34 34 A 14 ASN HBy A 14 ASN HBx 1.0 1.503 2.507 35 35 A 3 ASP HBy A 3 ASP HBx 1.0 1.440 2.328 36 36 A 3 ASP H A 3 ASP HA 1.0 1.780 3.566 37 37 A 3 ASP H A 3 ASP HBy 1.0 1.771 3.519 38 38 A 3 ASP H A 3 ASP HBy 1.0 1.824 3.800 39 39 A 3 ASP H A 3 ASP HBx 1.0 1.773 3.529 40 40 A 4 GLU H A 4 GLU HG2 1.0 1.807 3.709 41 41 A 4 GLU H A 4 GLU HBy 1.0 1.773 3.531 42 42 A 4 GLU H A 4 GLU HBx 1.0 1.736 3.354 43 43 A 5 CYS H A 5 CYS HBy 1.0 1.628 2.922 44 44 A 5 CYS H A 5 CYS HBx 1.0 1.973 5.093 45 45 A 5 CYS H A 5 CYS HBx 1.0 1.645 2.985 46 46 A 4 GLU HA A 4 GLU HG2 1.0 1.806 3.700 47 47 A 4 GLU HA A 4 GLU HBy 1.0 1.619 2.889 48 48 A 4 GLU HA A 4 GLU HBx 1.0 1.752 3.428 49 49 A 4 GLU HG2 A 4 GLU HBy 1.0 1.769 3.511 50 50 A 4 GLU HG2 A 4 GLU HBx 1.0 1.752 3.434 51 51 A 4 GLU HBy A 4 GLU HBx 1.0 1.409 2.241 52 52 A 4 GLU H A 4 GLU HA 1.0 1.760 3.466 53 53 A 4 GLU H A 4 GLU HG2 1.0 1.909 4.387 54 54 A 4 GLU H A 4 GLU HBy 1.0 1.822 3.796 55 55 A 4 GLU H A 4 GLU HBx 1.0 1.803 3.683 56 56 A 4 GLU HA A 4 GLU HG2 1.0 1.845 3.929 57 57 A 4 GLU HA A 4 GLU HBy 1.0 1.645 2.983 58 58 A 4 GLU HA A 4 GLU HBx 1.0 1.754 3.442 59 59 A 4 GLU HG2 A 4 GLU HBy 1.0 1.717 3.277 60 60 A 4 GLU HG2 A 4 GLU HBx 1.0 1.711 3.247 61 61 A 4 GLU HBy A 4 GLU HBx 1.0 1.397 2.209 62 62 A 5 CYS HA A 5 CYS HBy 1.0 1.674 3.098 63 63 A 5 CYS HA A 5 CYS HBx 1.0 1.733 3.345 64 64 A 5 CYS HBy A 5 CYS HBx 1.0 1.472 2.416 65 65 A 5 CYS H A 5 CYS HA 1.0 1.734 3.348 66 66 A 5 CYS H A 5 CYS HBy 1.0 1.722 3.296 67 67 A 5 CYS H A 5 CYS HBx 1.0 1.731 3.337 68 68 A 5 CYS HA A 5 CYS HBy 1.0 1.769 3.511 69 69 A 5 CYS HA A 5 CYS HBx 1.0 1.860 4.026 70 70 A 5 CYS HBy A 5 CYS HBx 1.0 1.503 2.507 71 71 A 6 CYS H A 6 CYS HBy 1.0 1.677 3.109 72 72 A 6 CYS H A 6 CYS HBx 1.0 1.660 3.042 73 73 A 6 CYS HA A 6 CYS HBy 1.0 1.673 3.093 74 74 A 6 CYS HA A 6 CYS HBx 1.0 1.727 3.319 75 75 A 6 CYS HBy A 6 CYS HBx 1.0 1.464 2.396 76 76 A 6 CYS H A 6 CYS HA 1.0 1.795 3.645 77 77 A 6 CYS H A 6 CYS HBy 1.0 1.764 3.488 78 78 A 6 CYS H A 6 CYS HBx 1.0 1.737 3.359 79 79 A 6 CYS HA A 6 CYS HBx 1.0 1.790 3.618 80 80 A 6 CYS HA A 6 CYS HBy 1.0 1.736 3.358 81 81 A 7 SER H A 7 SER HBy 1.0 1.741 3.377 82 82 A 7 SER H A 7 SER HBx 1.0 1.788 3.604 83 83 A 7 SER HA A 7 SER HBy 1.0 1.624 2.908 84 84 A 7 SER HA A 7 SER HBx 1.0 1.628 2.920 85 85 A 7 SER HBy A 7 SER HBx 1.0 1.428 2.294 86 86 A 7 SER H A 7 SER HA 1.0 1.690 3.160 87 87 A 7 SER H A 7 SER HBy 1.0 1.783 3.583 88 88 A 7 SER H A 7 SER HBx 1.0 1.763 3.483 89 89 A 7 SER HA A 7 SER HBy 1.0 1.935 4.629 90 90 A 7 SER HA A 7 SER HBx 1.0 1.904 4.340 91 91 A 7 SER HBy A 7 SER HBx 1.0 1.430 2.300 92 92 A 8 ASN H A 8 ASN HBy 1.0 1.680 3.120 93 93 A 8 ASN H A 8 ASN HBx 1.0 1.666 3.064 94 94 A 8 ASN HA A 8 ASN HBy 1.0 1.838 3.890 95 95 A 8 ASN H A 8 ASN HA 1.0 1.935 4.619 96 96 A 8 ASN H A 8 ASN HBy 1.0 1.700 3.202 97 97 A 8 ASN H A 8 ASN HBx 1.0 1.688 3.154 98 98 A 8 ASN HA A 8 ASN HBy 1.0 1.725 3.305 99 99 A 8 ASN HA A 8 ASN HBx 1.0 1.717 3.271 100 100 A 8 ASN HBy A 12 ARG HDy 1.0 1.046 1.430 101 101 A 8 ASN HBy A 8 ASN HBx 1.0 1.483 2.447 102 102 A 10 ALA H A 10 ALA HB% 1.0 1.601 2.825 103 103 A 10 ALA HA A 10 ALA HB% 1.0 1.603 2.833 104 104 A 10 ALA HA A 10 ALA HB% 1.0 1.577 2.745 105 105 A 12 ARG H A 12 ARG HBy 1.0 1.715 3.265 106 106 A 12 ARG H A 12 ARG HBx 1.0 1.748 3.408 107 107 A 12 ARG H A 12 ARG HGy 1.0 1.842 3.906 108 108 A 12 ARG H A 12 ARG HGx 1.0 1.839 3.893 109 109 A 12 ARG HA A 12 ARG HE 1.0 1.982 5.262 110 110 A 12 ARG HDy A 12 ARG HE 1.0 1.666 3.064 111 111 A 12 ARG H A 12 ARG HDy 1.0 1.896 4.276 112 112 A 12 ARG HBy A 12 ARG HE 1.0 1.876 4.136 113 113 A 12 ARG HBx A 12 ARG HE 1.0 1.908 4.374 114 114 A 12 ARG HGy A 12 ARG HE 1.0 1.876 4.128 115 115 A 12 ARG HGx A 12 ARG HE 1.0 1.876 4.130 116 116 A 12 ARG HA A 12 ARG HDy 1.0 1.908 4.376 117 117 A 12 ARG HA A 12 ARG HBy 1.0 1.720 3.284 118 118 A 12 ARG HA A 12 ARG HBx 1.0 1.740 3.374 119 119 A 12 ARG HA A 12 ARG HGy 1.0 1.793 3.635 120 120 A 12 ARG HA A 12 ARG HGx 1.0 1.818 3.772 121 121 A 12 ARG HDy A 12 ARG HBy 1.0 1.792 3.628 122 122 A 12 ARG HDy A 12 ARG HBx 1.0 1.772 3.524 123 123 A 12 ARG HGy A 12 ARG HDy 1.0 1.674 3.094 124 124 A 12 ARG HDy A 12 ARG HGx 1.0 1.709 3.239 125 125 A 12 ARG HBy A 12 ARG HBx 1.0 1.572 2.728 126 126 A 12 ARG HGy A 12 ARG HBy 1.0 1.782 3.574 127 127 A 12 ARG HBy A 12 ARG HGx 1.0 1.832 3.846 128 128 A 12 ARG HBy A 12 ARG HGx 1.0 1.830 3.836 129 129 A 12 ARG HGy A 12 ARG HBx 1.0 1.746 3.402 130 130 A 12 ARG HBx A 12 ARG HGx 1.0 1.775 3.545 131 131 A 12 ARG HGy A 12 ARG HGx 1.0 1.554 2.668 132 132 A 12 ARG H A 12 ARG HA 1.0 1.769 3.511 133 133 A 12 ARG H A 12 ARG HDy 1.0 1.894 4.262 134 134 A 12 ARG H A 12 ARG HBy 1.0 1.816 3.756 135 135 A 12 ARG H A 2 ARG HBy 1.0 1.999 5.969 136 136 A 12 ARG H A 12 ARG HBx 1.0 1.820 3.782 137 137 A 12 ARG H A 12 ARG HGy 1.0 1.925 4.525 138 138 A 12 ARG H A 12 ARG HGx 1.0 1.925 4.523 139 139 A 12 ARG HA A 12 ARG HDy 1.0 1.883 4.179 140 140 A 12 ARG HA A 12 ARG HBy 1.0 1.793 3.631 141 141 A 12 ARG HA A 12 ARG HBx 1.0 1.805 3.697 142 142 A 2 ARG HBx A 7 SER HBx 1.0 1.999 5.827 143 142 A 12 ARG HGy A 7 SER HBx 1.0 1.999 5.827 144 142 A 12 ARG HGy A 9 PRO HDy 1.0 1.999 5.827 145 143 A 12 ARG HA A 12 ARG HGy 1.0 1.858 4.012 146 144 A 12 ARG HA A 12 ARG HGx 1.0 1.874 4.122 147 145 A 12 ARG HDy A 12 ARG HBy 1.0 1.788 3.606 148 146 A 2 ARG HBy A 8 ASN HBy 1.0 1.801 3.675 149 147 A 12 ARG HDy A 12 ARG HBx 1.0 1.777 3.553 150 148 A 12 ARG HGy A 12 ARG HDy 1.0 1.715 3.265 151 149 A 12 ARG HDy A 12 ARG HGx 1.0 1.729 3.327 152 150 A 12 ARG HBy A 12 ARG HBx 1.0 1.558 2.680 153 151 A 12 ARG HGy A 12 ARG HBy 1.0 1.784 3.590 154 152 A 12 ARG HBy A 12 ARG HGx 1.0 1.842 3.906 155 153 A 12 ARG HGy A 12 ARG HBx 1.0 1.757 3.453 156 154 A 12 ARG HBx A 12 ARG HGx 1.0 1.785 3.593 157 155 A 12 ARG HGy A 12 ARG HGx 1.0 1.567 2.711 158 156 A 14 ASN H A 14 ASN HBy 1.0 1.813 3.739 159 157 A 14 ASN H A 14 ASN HBx 1.0 1.734 3.346 160 158 A 14 ASN HA A 14 ASN HBy 1.0 1.582 2.762 161 159 A 14 ASN HA A 14 ASN HBx 1.0 1.747 3.407 162 160 A 14 ASN H A 14 ASN HA 1.0 1.723 3.297 163 161 A 14 ASN H A 14 ASN HBy 1.0 1.842 3.912 164 162 A 14 ASN H A 14 ASN HBx 1.0 1.795 3.647 165 163 A 14 ASN HA A 14 ASN HBy 1.0 1.686 3.146 166 164 A 14 ASN HA A 14 ASN HBx 1.0 1.806 3.702 167 165 A 14 ASN HBy A 14 ASN HBx 1.0 1.528 2.588 168 166 A 15 ASN H A 15 ASN HBy 1.0 1.911 4.403 169 167 A 15 ASN H A 15 ASN HBx 1.0 1.672 3.088 170 168 A 15 ASN H A 15 ASN HBx 1.0 1.679 3.115 171 169 A 14 ASN HBx A 14 ASN HD21 1.0 1.887 4.205 172 170 A 15 ASN HA A 15 ASN HBx 1.0 1.654 3.018 173 171 A 11 CYS H A 11 CYS HBx 1.0 1.713 3.255 174 172 A 11 CYS H A 11 CYS HBy 1.0 1.678 3.112 175 173 A 11 CYS HA A 11 CYS HBx 1.0 1.813 3.743 176 174 A 11 CYS HA A 11 CYS HBy 1.0 1.702 3.208 177 175 A 11 CYS HBx A 11 CYS HBy 1.0 1.596 2.808 178 176 A 11 CYS H A 11 CYS HA 1.0 1.737 3.361 179 177 A 11 CYS H A 11 CYS HBx 1.0 1.822 3.786 180 178 A 11 CYS H A 11 CYS HBy 1.0 1.774 3.534 181 179 A 11 CYS HA A 11 CYS HBy 1.0 1.765 3.491 182 180 A 11 CYS HBx A 11 CYS HBy 1.0 1.588 2.780 183 181 A 13 TYR H A 13 TYR HBx 1.0 1.560 2.686 184 182 A 11 CYS HA A 11 CYS HBy 1.0 1.710 3.242 185 183 A 13 TYR HA A 13 TYR HBx 1.0 1.635 2.947 186 184 A 13 TYR H A 13 TYR HA 1.0 1.762 3.480 187 185 A 13 TYR H A 13 TYR HBx 1.0 1.587 2.777 188 186 A 13 TYR HA A 13 TYR HBx 1.0 1.620 2.894 189 187 A 17 HIS H A 17 HIS HBy 1.0 1.845 3.929 190 188 A 17 HIS H A 17 HIS HBx 1.0 1.758 3.460 191 189 A 17 HIS HA A 17 HIS HBy 1.0 1.811 3.731 192 190 A 17 HIS HA A 17 HIS HBx 1.0 1.838 3.882 193 191 A 17 HIS HBy A 17 HIS HBx 1.0 1.457 2.373 194 192 A 17 HIS H A 17 HIS HA 1.0 1.785 3.589 195 193 A 17 HIS H A 17 HIS HBy 1.0 1.855 3.993 196 194 A 17 HIS H A 17 HIS HBx 1.0 1.815 3.753 197 195 A 17 HIS HA A 17 HIS HBy 1.0 1.759 3.465 198 196 A 17 HIS HA A 17 HIS HBx 1.0 1.814 3.746 199 197 A 17 HIS HBy A 17 HIS HBx 1.0 1.452 2.360 200 198 A 18 VAL H A 18 VAL HB 1.0 1.770 3.518 201 199 A 18 VAL H A 18 VAL HGx% 1.0 1.701 3.203 202 200 A 18 VAL HA A 18 VAL HB 1.0 1.619 2.889 203 201 A 18 VAL HA A 18 VAL HGx% 1.0 1.634 2.944 204 202 A 18 VAL HB A 18 VAL HGx% 1.0 1.592 2.794 205 203 A 18 VAL H A 18 VAL HA 1.0 1.806 3.698 206 204 A 18 VAL H A 18 VAL HB 1.0 1.777 3.553 207 205 A 18 VAL H A 18 VAL HGx% 1.0 1.730 3.330 208 206 A 18 VAL H A 18 VAL HGy% 1.0 1.870 4.086 209 207 A 18 VAL H A 18 VAL HGy% 1.0 1.717 3.275 210 208 A 18 VAL HA A 18 VAL HGy% 1.0 1.634 2.944 211 209 A 18 VAL HB A 18 VAL HGy% 1.0 1.585 2.771 212 210 A 18 VAL HA A 18 VAL HB 1.0 1.671 3.083 213 211 A 18 VAL HA A 18 VAL HGx% 1.0 1.725 3.309 214 212 A 18 VAL HA A 18 VAL HGy% 1.0 1.693 3.175 215 213 A 18 VAL HB A 18 VAL HGx% 1.0 1.622 2.898 216 214 A 18 VAL HB A 18 VAL HGy% 1.0 1.624 2.906 217 215 A 19 CYS H A 19 CYS HBy 1.0 1.876 4.132 218 216 A 19 CYS H A 19 CYS HBx 1.0 1.781 3.571 219 217 A 19 CYS HA A 19 CYS HBy 1.0 1.965 4.969 220 218 A 19 CYS HA A 19 CYS HBx 1.0 1.954 7.260 221 219 A 19 CYS HBy A 19 CYS HBx 1.0 1.503 2.509 222 220 A 16 HYP HA A 16 HYP HBy 1.0 1.598 2.818 223 221 A 16 HYP HA A 16 HYP HBx 1.0 1.730 3.332 224 222 A 16 HYP HG A 16 HYP HD22 1.0 1.693 3.171 225 223 A 16 HYP HG A 16 HYP HD1 1.0 1.776 3.548 226 224 A 16 HYP HBy A 16 HYP HG 1.0 1.803 3.683 227 225 A 16 HYP HBx A 16 HYP HG 1.0 1.709 3.237 228 226 A 16 HYP HD22 A 16 HYP HD1 1.0 1.465 2.397 229 227 A 16 HYP HBy A 16 HYP HD22 1.0 1.938 4.652 230 228 A 16 HYP HBx A 16 HYP HD22 1.0 1.879 4.157 231 229 A 16 HYP HBy A 16 HYP HD1 1.0 1.951 4.807 232 230 A 16 HYP HBy A 16 HYP HD1 1.0 1.946 4.734 233 231 A 16 HYP HBx A 16 HYP HD1 1.0 1.960 4.906 234 232 A 12 ARG HBy A 16 HYP HD1 1.0 1.938 4.650 235 233 A 16 HYP HBy A 16 HYP HBx 1.0 1.501 2.505 236 234 A 9 PRO HDy A 9 PRO HA 1.0 1.865 4.055 237 235 A 9 PRO HA A 9 PRO HG2 1.0 1.950 4.784 238 236 A 9 PRO HA A 9 PRO HBy 1.0 1.707 3.229 239 237 A 12 ARG HBy A 9 PRO HA 1.0 1.904 4.342 240 238 A 9 PRO HDy A 9 PRO HDx 1.0 1.488 2.464 241 239 A 9 PRO HG2 A 9 PRO HDx 1.0 1.803 3.685 242 240 A 9 PRO HBy A 9 PRO HDx 1.0 1.727 3.319 243 241 A 9 PRO HDy A 9 PRO HG2 1.0 1.758 3.458 244 242 A 9 PRO HDy A 9 PRO HBy 1.0 1.745 3.397 245 243 A 9 PRO HG2 A 9 PRO HBy 1.0 1.392 2.198 246 244 A 3 ASP HA A 4 GLU H 1.0 1.580 2.756 247 245 A 4 GLU HA A 5 CYS H 1.0 1.757 3.455 248 246 A 5 CYS HA A 6 CYS H 1.0 1.914 4.426 249 247 A 14 ASN HA A 15 ASN H 1.0 1.799 3.661 250 248 A 17 HIS HA A 18 VAL H 1.0 1.794 3.638 251 249 A 11 CYS H A 12 ARG HBx 1.0 1.787 3.603 252 250 A 10 ALA H A 9 PRO HBy 1.0 1.760 3.468 253 251 A 1 ILE HB A 1 ILE HA 1.0 1.789 3.615 254 252 A 1 ILE HA A 1 ILE HG1x 1.0 1.984 5.304 255 253 A 1 ILE HA A 1 ILE HG1y 1.0 1.990 5.454 256 254 A 1 ILE HA A 1 ILE HG2% 1.0 1.841 3.905 257 255 A 1 ILE HA A 1 ILE HD1% 1.0 1.998 5.774 258 256 A 1 ILE HB A 1 ILE HG1y 1.0 1.897 4.289 259 257 A 1 ILE HB A 1 ILE HG1y 1.0 1.886 4.208 260 258 A 1 ILE HB A 1 ILE HG1x 1.0 1.924 4.514 261 259 A 1 ILE HB A 1 ILE HG1x 1.0 1.932 4.596 262 260 A 1 ILE HB A 1 ILE HG2% 1.0 1.859 4.019 263 261 A 1 ILE HB A 1 ILE HG2% 1.0 1.837 3.881 264 262 A 1 ILE HB A 1 ILE HD1% 1.0 1.957 4.875 265 263 A 1 ILE HG1x A 1 ILE HG1y 1.0 1.807 3.705 266 264 A 1 ILE HG1x A 1 ILE HG1y 1.0 1.679 3.115 267 265 A 1 ILE HG1y A 1 ILE HG2% 1.0 1.933 4.607 268 266 A 1 ILE HG1y A 1 ILE HD1% 1.0 1.789 3.611 269 267 A 17 HIS H A 16 HYP HBx 1.0 1.918 4.460 270 268 A 17 HIS H A 16 HYP HBy 1.0 1.908 4.382 271 269 A 5 CYS H A 4 GLU HBy 1.0 1.867 4.071 272 270 A 5 CYS H A 4 GLU HBx 1.0 1.896 4.282 273 271 A 19 CYS H A 18 VAL HB 1.0 1.878 4.150 274 272 A 10 ALA H A 9 PRO HG2 1.0 1.877 4.141 275 273 A 13 TYR H A 12 ARG HGy 1.0 1.934 4.614 276 273 A 11 CYS H A 12 ARG HGy 1.0 1.934 4.614 277 274 A 4 GLU H A 3 ASP HBy 1.0 1.907 4.361 278 275 A 4 GLU H A 3 ASP HBx 1.0 1.831 3.845 279 276 A 10 ALA H A 9 PRO HBx 1.0 1.940 4.680 280 277 A 11 CYS H A 10 ALA HB% 1.0 1.722 3.298 281 278 A 3 ASP H A 2 ARG HBy 1.0 1.815 3.749 282 279 A 6 CYS H A 5 CYS HBx 1.0 1.746 3.402 283 280 A 14 ASN H A 15 ASN HBx 1.0 1.649 2.997 284 281 A 19 CYS H A 18 VAL HGx% 1.0 1.868 4.078 285 282 A 14 ASN H A 13 TYR HBx 1.0 1.762 3.476 286 283 A 12 ARG H A 11 CYS HBy 1.0 1.874 4.120 287 284 A 2 ARG H A 1 ILE HA 1.0 1.609 2.853 288 285 A 17 HIS H A 16 HYP HD22 1.0 1.923 4.501 289 286 A 12 ARG H A 11 CYS HBx 1.0 1.808 3.716 290 287 A 11 CYS HA A 12 ARG H 1.0 1.797 3.655 291 288 A 17 HIS H A 16 HYP HG 1.0 1.852 3.978 292 289 A 17 HIS H A 16 HYP HA 1.0 1.688 3.152 293 290 A 18 VAL HA A 19 CYS H 1.0 1.716 3.268 294 291 A 6 CYS HA A 7 SER H 1.0 1.872 4.106 295 292 A 13 TYR HA A 14 ASN H 1.0 1.791 3.623 296 293 A 4 GLU HA A 6 CYS H 1.0 1.959 4.887 297 294 A 15 ASN H A 16 HYP HD1 1.0 1.884 4.190 298 295 A 12 ARG HBx A 9 PRO HA 1.0 1.850 3.956 299 296 A 12 ARG HGy A 9 PRO HA 1.0 1.983 5.283 300 297 A 12 ARG HGx A 9 PRO HA 1.0 1.954 4.824 301 298 A 12 ARG HA A 15 ASN HBx 1.0 1.886 4.200 302 299 A 15 ASN HBx A 16 HYP HD22 1.0 1.836 3.874 303 300 A 15 ASN HBx A 16 HYP HD1 1.0 1.891 4.239 304 301 A 15 ASN HBx A 18 VAL HB 1.0 1.826 3.814 305 302 A 16 HYP HD22 A 16 HYP HD1 1.0 1.491 2.473 306 303 A 16 HYP HBy A 16 HYP HD22 1.0 1.915 4.441 307 304 A 16 HYP HBx A 16 HYP HD22 1.0 1.884 4.192 308 305 A 4 GLU H A 5 CYS H 1.0 1.768 3.508 309 306 A 4 GLU H A 5 CYS H 1.0 1.736 3.358 310 307 A 5 CYS H A 6 CYS H 1.0 1.753 3.435 311 308 A 5 CYS H A 6 CYS H 1.0 1.748 3.414 312 309 A 17 HIS H A 18 VAL H 1.0 1.790 3.614 313 310 A 18 VAL H A 19 CYS H 1.0 1.765 3.493 314 311 A 6 CYS H A 7 SER H 1.0 1.748 3.414 315 312 A 6 CYS H A 8 ASN H 1.0 1.788 3.608 316 313 A 14 ASN H A 15 ASN H 1.0 1.721 3.291 317 314 A 14 ASN H A 15 ASN H 1.0 1.706 3.228 318 315 A 18 VAL H A 19 CYS H 1.0 1.775 3.541 319 316 A 6 CYS H A 7 SER H 1.0 1.735 3.353 320 317 A 10 ALA H A 12 ARG H 1.0 1.913 4.423 321 318 A 10 ALA H A 11 CYS H 1.0 1.640 2.966 322 319 A 8 ASN H A 12 ARG H 1.0 1.920 4.482 323 320 A 3 ASP H A 4 GLU H 1.0 1.862 4.036 324 321 A 3 ASP H A 4 GLU H 1.0 1.875 4.121 325 322 A 17 HIS H A 18 VAL H 1.0 1.786 3.600 326 323 A 12 ARG HDy A 11 CYS HBx 1.0 1.873 4.115 327 324 A 10 ALA HA A 13 TYR HBx 1.0 1.813 3.745 328 325 A 12 ARG HDy A 9 PRO HA 1.0 1.937 4.645 329 326 A 15 ASN HBx A 18 VAL HB 1.0 1.870 4.088 330 327 A 15 ASN HA A 16 HYP HD22 1.0 1.743 3.387 331 328 A 15 ASN HA A 16 HYP HD1 1.0 1.771 3.523 332 329 A 11 CYS HA A 11 CYS HBx 1.0 1.894 4.258 333 330 A 2 ARG HE A 2 ARG HD2 1.0 1.813 3.743 334 331 A 2 ARG HBy A 2 ARG HE 1.0 1.934 4.618 335 332 A 2 ARG HBx A 2 ARG HE 1.0 1.938 4.654 336 333 A 12 ARG HDy A 9 PRO HA 1.0 1.877 4.137 337 334 A 9 PRO HA A 9 PRO HBx 1.0 1.664 3.056 338 335 A 9 PRO HA A 9 PRO HG2 1.0 1.892 4.248 339 336 A 9 PRO HA A 9 PRO HBy 1.0 1.697 3.189 340 337 A 9 PRO HDy A 9 PRO HBx 1.0 1.923 4.509 341 338 A 9 PRO HDy A 9 PRO HG2 1.0 1.755 3.443 342 339 A 9 PRO HDy A 9 PRO HBy 1.0 1.728 3.322 343 340 A 16 HYP HBy A 16 HYP HBx 1.0 1.512 2.536 344 341 A 12 ARG HDy A 12 ARG HE 1.0 1.661 3.047 345 342 A 12 ARG HGx A 12 ARG HE 1.0 1.988 5.408 346 343 A 12 ARG HBy A 12 ARG HE 1.0 1.928 4.550 347 344 A 12 ARG HBx A 12 ARG HE 1.0 1.954 4.830 348 345 A 12 ARG HGy A 12 ARG HE 1.0 1.915 4.429 349 346 A 12 ARG HGx A 12 ARG HE 1.0 1.892 4.248 350 347 A 2 ARG H A 1 ILE HB 1.0 1.876 4.134 351 348 A 11 CYS H A 12 ARG H 1.0 1.599 2.819 352 349 A 11 CYS H A 12 ARG H 1.0 1.618 2.884 353 350 A 3 ASP HA A 4 GLU H 1.0 1.560 2.688 354 351 A 17 HIS H A 16 HYP HA 1.0 1.645 2.985 355 352 A 4 GLU HA A 5 CYS H 1.0 1.770 3.520 356 353 A 11 CYS HA A 12 ARG H 1.0 1.800 3.668 357 354 A 12 ARG H A 11 CYS HBx 1.0 1.868 4.072 358 355 A 12 ARG H A 9 PRO HA 1.0 1.939 4.669 359 356 A 4 GLU H A 3 ASP HBy 1.0 1.904 4.342 360 357 A 4 GLU H A 3 ASP HBx 1.0 1.882 4.174 361 358 A 14 ASN HA A 15 ASN H 1.0 1.736 3.358 362 359 A 17 HIS HA A 18 VAL H 1.0 1.767 3.505 363 360 A 6 CYS HA A 7 SER H 1.0 1.842 3.908 364 361 A 5 CYS HA A 6 CYS H 1.0 1.842 3.912 365 362 A 10 ALA H A 10 ALA HA 1.0 1.751 3.425 366 363 A 10 ALA H A 10 ALA HB% 1.0 1.645 2.987 367 364 A 13 TYR HA A 14 ASN H 1.0 1.769 3.513 368 365 A 11 CYS HA A 15 ASN HD21 1.0 1.870 4.090 369 366 A 10 ALA H A 9 PRO HA 1.0 1.922 4.498 370 367 A 11 CYS H A 12 ARG HA 1.0 1.857 4.007 371 368 A 4 GLU HA A 6 CYS H 1.0 1.945 4.737 372 369 A 14 ASN H A 13 TYR HBx 1.0 1.764 3.488 373 370 A 13 TYR HA A 13 TYR HD% 1.0 1.745 3.399 374 371 A 12 ARG HBy A 9 PRO HA 1.0 1.897 4.291 375 372 A 12 ARG HBx A 9 PRO HA 1.0 1.866 4.068 376 373 A 15 ASN HBx A 16 HYP HD22 1.0 1.832 3.850 377 374 A 12 ARG HA A 15 ASN HBx 1.0 1.896 4.274 378 375 A 15 ASN HBx A 16 HYP HD1 1.0 1.878 4.148 379 376 A 14 ASN HD21 A 14 ASN HD22 1.0 1.392 2.198 380 377 A 15 ASN HD21 A 15 ASN HD22 1.0 1.426 2.288 381 378 A 8 ASN HD21 A 8 ASN HD22 1.0 1.403 2.225 382 379 A 13 TYR HD% A 13 TYR HE% 1.0 1.490 2.470 383 380 A 15 ASN HD21 A 15 ASN HD22 1.0 1.433 2.305 384 381 A 8 ASN HD21 A 8 ASN HD22 1.0 1.396 2.208 385 382 A 14 ASN HD21 A 14 ASN HD22 1.0 1.379 2.161 386 383 A 13 TYR HD% A 13 TYR HE% 1.0 1.455 2.371 387 384 A 3 ASP HA A 5 CYS H 1.0 1.874 4.122 388 385 A 13 TYR HA A 13 TYR HD% 1.0 1.699 3.197 389 386 A 11 CYS H A 12 ARG HBx 1.0 1.866 4.060 390 387 A 16 HYP HA A 16 HYP HBy 1.0 1.668 3.072 391 388 A 16 HYP HA A 16 HYP HBx 1.0 1.765 3.495 392 389 A 16 HYP HBy A 16 HYP HG 1.0 1.818 3.766 393 390 A 16 HYP HBx A 16 HYP HG 1.0 1.749 3.421 394 391 A 16 HYP HG A 16 HYP HD22 1.0 1.748 3.414 395 392 A 16 HYP HG A 16 HYP HD1 1.0 1.846 3.938 396 393 A 9 PRO HA A 9 PRO HBx 1.0 1.654 3.022 397 394 A 2 ARG HA A 2 ARG HBy 1.0 1.757 3.453 398 395 A 2 ARG HA A 2 ARG HBx 1.0 1.895 4.277 399 396 A 2 ARG HA A 2 ARG HBx 1.0 1.860 4.028 400 397 A 2 ARG HA A 2 ARG HBx 1.0 1.856 4.002 401 398 A 13 TYR HBx A 13 TYR HD% 1.0 1.531 2.595 402 399 A 13 TYR HBx A 13 TYR HE% 1.0 1.865 4.057 403 400 A 12 ARG HE A 12 ARG HDx 1.0 1.785 3.593 404 401 A 13 TYR H A 12 ARG HBy 1.0 1.999 5.871 405 402 A 13 TYR H A 12 ARG HBy 1.0 1.826 3.810 406 403 A 19 CYS H A 18 VAL HB 1.0 1.884 4.188 407 404 A 10 ALA H A 9 PRO HBy 1.0 1.801 3.675 408 405 A 11 CYS H A 12 ARG HBy 1.0 1.904 4.348 409 406 A 15 ASN HBx A 18 VAL HGx% 1.0 1.705 3.225 410 407 A 1 ILE HB A 1 ILE HA 1.0 1.802 3.682 411 408 A 2 ARG HBy A 1 ILE HA 1.0 1.974 5.112 412 409 A 1 ILE HA A 1 ILE HG1x 1.0 1.991 5.467 413 410 A 1 ILE HA A 1 ILE HG2% 1.0 1.835 3.865 414 411 A 1 ILE HA A 1 ILE HD1% 1.0 1.895 4.275 415 412 A 1 ILE HG1x A 1 ILE HG1y 1.0 1.706 3.226 416 413 A 9 PRO HG2 A 9 PRO HDx 1.0 1.787 3.601 417 414 A 9 PRO HBy A 9 PRO HDx 1.0 1.678 3.112 418 415 A 9 PRO HG2 A 9 PRO HBx 1.0 1.667 3.069 419 416 A 9 PRO HBy A 9 PRO HBx 1.0 1.482 2.448 420 417 A 9 PRO HG2 A 9 PRO HBx 1.0 1.689 3.155 421 418 A 9 PRO HBy A 9 PRO HBx 1.0 1.481 2.445 422 419 A 8 ASN HA A 9 PRO HDx 1.0 1.548 2.646 423 420 A 8 ASN HA A 9 PRO HDy 1.0 1.558 2.682 424 421 A 15 ASN HBx A 18 VAL HGx% 1.0 1.743 3.389 425 422 A 15 ASN HBx A 18 VAL HGy% 1.0 1.853 3.975 426 423 A 8 ASN HA A 7 SER HBx 1.0 1.736 3.356 427 424 A 13 TYR HBx A 13 TYR HD% 1.0 1.589 2.785 428 425 A 15 ASN HBx A 15 ASN HD22 1.0 1.799 3.665 429 426 A 11 CYS H A 10 ALA HB% 1.0 1.769 3.515 430 427 A 10 ALA H A 9 PRO HBx 1.0 1.956 4.856 431 428 A 13 TYR H A 13 TYR HD% 1.0 1.835 3.869 432 429 A 8 ASN HBx A 11 CYS HBx 1.0 1.856 4.000 433 429 A 8 ASN HBx A 9 PRO HDx 1.0 1.856 4.000 434 430 A 5 CYS HA A 11 CYS HBy 1.0 1.895 4.273 435 431 A 5 CYS HA A 11 CYS HBx 1.0 1.804 3.690 436 432 A 8 ASN HBx A 11 CYS HBx 1.0 1.858 4.010 437 432 A 5 CYS HBx A 11 CYS HBx 1.0 1.858 4.010 438 433 A 10 ALA H A 11 CYS H 1.0 1.615 2.875 439 434 A 13 TYR H A 13 TYR HD% 1.0 1.897 4.283 440 435 A 11 CYS H A 9 PRO HA 1.0 1.975 5.135 441 436 A 10 ALA H A 9 PRO HG2 1.0 1.954 4.834 442 437 A 12 ARG HA A 13 TYR H 1.0 1.836 3.874 443 438 A 11 CYS H A 8 ASN HBy 1.0 1.788 3.606 444 439 A 8 ASN HBx A 8 ASN HD22 1.0 1.875 4.125 445 440 A 14 ASN HBx A 14 ASN HD21 1.0 1.819 3.777 446 441 A 14 ASN HBy A 14 ASN HD21 1.0 1.869 4.087 447 442 A 14 ASN HBx A 14 ASN HD22 1.0 1.902 4.328 448 443 A 10 ALA H A 12 ARG H 1.0 1.932 4.596 449 444 A 5 CYS H A 7 SER H 1.0 1.987 5.359 450 445 A 6 CYS H A 5 CYS HBx 1.0 1.836 3.872 451 446 A 15 ASN HBx A 15 ASN HD21 1.0 1.656 3.026 452 447 A 14 ASN HBx A 14 ASN HD21 1.0 1.813 3.739 453 448 A 14 ASN HBy A 14 ASN HD21 1.0 1.876 4.138 454 449 A 14 ASN HA A 13 TYR HD% 1.0 1.920 4.478 455 450 A 18 VAL HGx% A 15 ASN HD21 1.0 1.950 4.790 456 451 A 13 TYR H A 13 TYR HBy 1.0 1.560 2.686 457 452 A 11 CYS HA A 10 ALA HB% 1.0 1.898 4.300 458 453 A 19 CYS HA A 19 CYS HBy 1.0 1.772 3.524 459 454 A 19 CYS HA A 19 CYS HBx 1.0 1.833 3.857 460 455 A 8 ASN HBy A 11 CYS HBx 1.0 1.787 3.603 461 456 A 10 ALA HA A 13 TYR HBx 1.0 1.770 3.516 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 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 11 CYS H A 8 ASN O 1.0 1.73 2.7 2 2 A 13 TYR H A 9 PRO O 1.0 1.73 2.7 3 3 A 15 ASN H A 11 CYS O 1.0 1.73 2.7 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _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 -90.2 -49.4 PHI 4 4 A 5 CYS N A 5 CYS CA A 5 CYS C A 6 CYS N 1.0 -55.6 -3.8 PSI 5 5 A 5 CYS C A 6 CYS N A 6 CYS CA A 6 CYS C 1.0 -124.2 -50.4 PHI 6 6 A 6 CYS N A 6 CYS CA A 6 CYS C A 7 SER N 1.0 -59.4 14.2 PSI 7 7 A 6 CYS C A 7 SER N A 7 SER CA A 7 SER C 1.0 -111.4 -62.8 PHI 8 8 A 7 SER N A 7 SER CA A 7 SER C A 8 ASN N 1.0 -60.8 33.0 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 -74.5 -34.5 PHI 12 12 A 9 PRO N A 9 PRO CA A 9 PRO C A 10 ALA N 1.0 -52.7 -12.7 PSI 13 13 A 9 PRO C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -86.8 -46.8 PHI 14 14 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 CYS N 1.0 -50.8 -3.8 PSI 15 15 A 10 ALA C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 -83.4 -43.4 PHI 16 16 A 11 CYS N A 11 CYS CA A 11 CYS C A 12 ARG N 1.0 -60.1 -20.1 PSI 17 17 A 11 CYS C A 12 ARG N A 12 ARG CA A 12 ARG C 1.0 -91.2 -38.2 PHI 18 18 A 12 ARG N A 12 ARG CA A 12 ARG C A 13 TYR N 1.0 -62.3 -22.3 PSI 19 19 A 12 ARG C A 13 TYR N A 13 TYR CA A 13 TYR C 1.0 -84.2 -44.2 PHI 20 20 A 13 TYR N A 13 TYR CA A 13 TYR C A 14 ASN N 1.0 -67.7 -2.1 PSI 21 21 A 13 TYR C A 14 ASN N A 14 ASN CA A 14 ASN C 1.0 -110.5 -67.1 PHI 22 22 A 14 ASN N A 14 ASN CA A 14 ASN C A 15 ASN N 1.0 -41.7 34.3 PSI 23 23 A 14 ASN C A 15 ASN N A 15 ASN CA A 15 ASN C 1.0 -177.3 -56.1 PHI 24 24 A 15 ASN N A 15 ASN CA A 15 ASN C A 16 HYP N 1.0 41.2 179.4 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 . 2 ppm 1H 12.000 . 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 7.511 . 2 ppm 13C 79.896 . stop_ save_