data_nef_c15068_2i2j 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 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 21 LYS C 1 22 NH2 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 SER start . . 2 A 2 GLY middle . false 3 A 3 SER middle . . 4 A 4 LEU middle . . 5 A 5 SER middle . . 6 A 6 THR middle . . 7 A 7 PHE middle . . 8 A 8 PHE middle . . 9 A 9 ARG middle . . 10 A 10 LEU middle . . 11 A 11 PHE middle . . 12 A 12 ASN middle . . 13 A 13 ARG middle . . 14 A 14 SER middle . . 15 A 15 PHE middle . . 16 A 16 THR middle . . 17 A 17 GLN middle . . 18 A 18 ALA middle . . 19 A 19 LEU middle . . 20 A 20 GLY middle . false 21 A 21 LYS middle -OXT . 22 A 22 NH2 end . . 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 SER HA H 1 4.505 0.006 A 1 SER HBx H 1 2.795 0.006 A 1 SER HBy H 1 3.336 0.011 A 4 LEU HA H 1 4.272 0.006 A 4 LEU HB2 H 1 1.662 0.001 A 4 LEU HB3 H 1 1.662 0.001 A 4 LEU HD1% H 1 0.904 0.012 A 4 LEU HD2% H 1 0.973 0.009 A 4 LEU HG H 1 1.720 0.010 A 5 SER H H 1 7.998 0.008 A 5 SER HA H 1 4.054 0.001 A 6 THR H H 1 7.785 0.011 A 6 THR HA H 1 4.282 0.009 A 6 THR HB H 1 3.950 0.008 A 6 THR HG2% H 1 1.253 0.007 A 7 PHE H H 1 7.941 0.011 A 7 PHE HA H 1 4.238 0.009 A 7 PHE HBy H 1 3.203 0.012 A 7 PHE HD1 H 1 7.077 0.010 A 7 PHE HD2 H 1 7.077 0.010 A 7 PHE HE1 H 1 7.160 0.011 A 7 PHE HE2 H 1 7.160 0.011 A 8 PHE H H 1 8.438 0.008 A 8 PHE HA H 1 4.245 0.007 A 8 PHE HBy H 1 3.254 0.009 A 8 PHE HD1 H 1 7.240 0.010 A 8 PHE HD2 H 1 7.240 0.010 A 8 PHE HE1 H 1 7.320 0.009 A 8 PHE HE2 H 1 7.320 0.009 A 9 ARG H H 1 8.074 0.010 A 9 ARG HA H 1 4.057 0.009 A 9 ARG HBx H 1 1.982 0.011 A 9 ARG HBy H 1 2.122 0.008 A 9 ARG HD2 H 1 3.240 0.012 A 9 ARG HD3 H 1 3.240 0.012 A 9 ARG HG2 H 1 1.739 0.010 A 9 ARG HG3 H 1 1.739 0.010 A 10 LEU H H 1 8.288 0.008 A 10 LEU HA H 1 4.075 0.012 A 10 LEU HBx H 1 1.777 0.012 A 10 LEU HBy H 1 1.838 0.016 A 10 LEU HDx% H 1 0.872 0.009 A 10 LEU HDy% H 1 0.872 0.009 A 10 LEU HG H 1 1.553 0.010 A 11 PHE H H 1 9.017 0.009 A 11 PHE HA H 1 4.041 0.008 A 11 PHE HBx H 1 2.763 0.013 A 11 PHE HBy H 1 2.899 0.009 A 11 PHE HD1 H 1 7.057 0.011 A 11 PHE HD2 H 1 7.057 0.011 A 11 PHE HE1 H 1 7.186 0.016 A 11 PHE HE2 H 1 7.186 0.016 A 12 ASN H H 1 8.172 0.010 A 12 ASN HA H 1 4.346 0.008 A 12 ASN HBx H 1 2.587 0.010 A 12 ASN HBy H 1 2.769 0.007 A 12 ASN HD2x H 1 5.498 0.007 A 12 ASN HD2y H 1 6.837 0.007 A 13 ARG H H 1 8.385 0.011 A 13 ARG HA H 1 4.100 0.015 A 13 ARG HBy H 1 1.988 0.010 A 13 ARG HD2 H 1 3.235 0.014 A 13 ARG HD3 H 1 3.235 0.014 A 13 ARG HG2 H 1 1.729 0.011 A 13 ARG HG3 H 1 1.729 0.011 A 14 SER H H 1 8.166 0.009 A 14 SER HA H 1 4.161 0.001 A 14 SER HBx H 1 3.845 0.003 A 14 SER HBy H 1 3.920 0.001 A 15 PHE H H 1 8.098 0.009 A 15 PHE HA H 1 4.227 0.011 A 15 PHE HBx H 1 2.829 0.013 A 15 PHE HBy H 1 2.969 0.010 A 15 PHE HD1 H 1 7.099 0.043 A 15 PHE HD2 H 1 7.099 0.043 A 15 PHE HE1 H 1 7.167 0.013 A 15 PHE HE2 H 1 7.167 0.013 A 16 THR H H 1 7.787 0.012 A 16 THR HA H 1 4.296 0.012 A 16 THR HB H 1 3.963 0.010 A 16 THR HG2% H 1 1.317 0.008 A 17 GLN H H 1 7.818 0.010 A 17 GLN HA H 1 4.153 0.008 A 17 GLN HBx H 1 2.124 0.014 A 17 GLN HBy H 1 2.160 0.012 A 17 GLN HE2x H 1 6.049 0.009 A 17 GLN HE2y H 1 7.027 0.005 A 17 GLN HGx H 1 2.364 0.016 A 17 GLN HGy H 1 2.438 0.012 A 18 ALA H H 1 7.649 0.009 A 18 ALA HA H 1 4.127 0.013 A 18 ALA HB% H 1 1.409 0.008 A 19 LEU H H 1 7.375 0.008 A 19 LEU HA H 1 4.195 0.007 A 19 LEU HBx H 1 1.594 0.027 A 19 LEU HBy H 1 1.661 0.011 A 19 LEU HDx% H 1 0.816 0.008 A 19 LEU HDy% H 1 0.816 0.008 A 19 LEU HG H 1 1.338 0.015 A 20 GLY H H 1 7.854 0.008 A 20 GLY HAx H 1 3.786 0.004 A 20 GLY HAy H 1 3.927 0.002 A 21 LYS_NH2 H H 1 7.379 0.010 A 21 LYS_NH2 HA H 1 4.330 0.007 A 21 LYS_NH2 HB2 H 1 1.692 0.014 A 21 LYS_NH2 HB3 H 1 1.908 0.009 A 21 LYS_NH2 HD2 H 1 1.619 0.036 A 21 LYS_NH2 HD3 H 1 1.619 0.036 A 21 LYS_NH2 HE2 H 1 2.961 0.010 A 21 LYS_NH2 HE3 H 1 2.961 0.010 A 21 LYS_NH2 HG2 H 1 1.357 0.009 A 21 LYS_NH2 HG3 H 1 1.357 0.009 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 LEU HA A 4 LEU HG 1.0 2.40 3.75 2 2 A 4 LEU HA A 4 LEU HD1% 1.0 2.40 3.75 3 3 A 4 LEU HA A 4 LEU HD2% 1.0 2.90 4.25 4 4 A 4 LEU HD1% A 4 LEU HB2 1.0 4.25 5.85 5 4 A 4 LEU HD1% A 4 LEU HB3 1.0 4.25 5.85 6 5 A 4 LEU HD2% A 4 LEU HB2 1.0 4.25 5.85 7 5 A 4 LEU HD2% A 4 LEU HB3 1.0 4.25 5.85 8 6 A 4 LEU HG A 4 LEU HD1% 1.0 2.65 4.00 9 7 A 4 LEU HG A 4 LEU HD2% 1.0 2.90 4.25 10 8 A 6 THR HA A 6 THR H 1.0 2.90 4.25 11 9 A 6 THR H A 6 THR HB 1.0 2.40 3.75 12 10 A 6 THR H A 6 THR HG2% 1.0 4.25 5.85 13 11 A 6 THR HA A 6 THR HG2% 1.0 2.40 3.75 14 12 A 6 THR HB A 6 THR HG2% 1.0 2.40 3.75 15 13 A 7 PHE HA A 7 PHE H 1.0 2.40 3.75 16 14 A 7 PHE H A 7 PHE HBx 1.0 2.40 3.75 17 14 A 7 PHE H A 7 PHE HBy 1.0 2.40 3.75 18 15 A 7 PHE H A 7 PHE HD% 1.0 3.25 4.85 19 16 A 7 PHE HA A 7 PHE HBx 1.0 2.90 4.25 20 16 A 7 PHE HA A 7 PHE HBy 1.0 2.90 4.25 21 17 A 7 PHE HA A 7 PHE HD% 1.0 4.25 5.85 22 18 A 7 PHE HA A 7 PHE HE% 1.0 2.40 3.75 23 19 A 7 PHE HD% A 7 PHE HBx 1.0 2.90 4.25 24 19 A 7 PHE HBy A 7 PHE HD% 1.0 2.90 4.25 25 20 A 7 PHE HE% A 7 PHE HBx 1.0 3.25 4.85 26 20 A 7 PHE HBy A 7 PHE HE% 1.0 3.25 4.85 27 21 A 7 PHE HD% A 7 PHE HE% 1.0 1.70 2.20 28 22 A 8 PHE HA A 8 PHE H 1.0 2.40 3.75 29 23 A 8 PHE H A 8 PHE HBx 1.0 2.00 3.25 30 23 A 8 PHE H A 8 PHE HBy 1.0 2.00 3.25 31 24 A 8 PHE H A 8 PHE HD% 1.0 3.25 4.85 32 25 A 8 PHE HA A 8 PHE HBx 1.0 2.90 4.25 33 25 A 8 PHE HA A 8 PHE HBy 1.0 2.90 4.25 34 26 A 8 PHE HA A 8 PHE HD% 1.0 2.00 3.25 35 27 A 8 PHE HA A 8 PHE HE% 1.0 3.25 4.85 36 28 A 8 PHE HD% A 8 PHE HBx 1.0 3.25 4.85 37 28 A 8 PHE HBy A 8 PHE HD% 1.0 3.25 4.85 38 29 A 8 PHE HE% A 8 PHE HBx 1.0 3.25 4.85 39 29 A 8 PHE HBy A 8 PHE HE% 1.0 3.25 4.85 40 30 A 8 PHE HD% A 8 PHE HE% 1.0 1.85 2.72 41 31 A 9 ARG HA A 9 ARG H 1.0 2.90 4.25 42 32 A 9 ARG H A 9 ARG HBy 1.0 3.25 4.85 43 33 A 9 ARG H A 9 ARG HBx 1.0 2.90 4.25 44 34 A 9 ARG H A 9 ARG HG2 1.0 3.25 4.85 45 34 A 9 ARG H A 9 ARG HG3 1.0 3.25 4.85 46 35 A 9 ARG H A 9 ARG HD2 1.0 4.25 5.85 47 35 A 9 ARG H A 9 ARG HD3 1.0 4.25 5.85 48 36 A 9 ARG HA A 9 ARG HBy 1.0 2.90 4.25 49 37 A 9 ARG HA A 9 ARG HBx 1.0 4.25 5.85 50 38 A 9 ARG HA A 9 ARG HG2 1.0 2.90 4.25 51 38 A 9 ARG HA A 9 ARG HG3 1.0 2.90 4.25 52 39 A 9 ARG HA A 9 ARG HD2 1.0 4.25 5.85 53 39 A 9 ARG HA A 9 ARG HD3 1.0 4.25 5.85 54 40 A 9 ARG HBy A 9 ARG HBx 1.0 4.25 5.85 55 41 A 9 ARG HBy A 9 ARG HG2 1.0 2.40 3.75 56 41 A 9 ARG HBy A 9 ARG HG3 1.0 2.40 3.75 57 42 A 9 ARG HBy A 9 ARG HD2 1.0 4.25 5.85 58 42 A 9 ARG HBy A 9 ARG HD3 1.0 4.25 5.85 59 43 A 9 ARG HBx A 9 ARG HG2 1.0 4.25 5.85 60 43 A 9 ARG HBx A 9 ARG HG3 1.0 4.25 5.85 61 44 A 9 ARG HBx A 9 ARG HD2 1.0 3.25 4.85 62 44 A 9 ARG HBx A 9 ARG HD3 1.0 3.25 4.85 63 45 A 9 ARG HD2 A 9 ARG HG2 1.0 2.90 4.25 64 45 A 9 ARG HD3 A 9 ARG HG2 1.0 2.90 4.25 65 45 A 9 ARG HG3 A 9 ARG HD2 1.0 2.90 4.25 66 45 A 9 ARG HG3 A 9 ARG HD3 1.0 2.90 4.25 67 46 A 10 LEU HA A 10 LEU H 1.0 2.40 3.75 68 47 A 10 LEU H A 10 LEU HBy 1.0 3.25 4.85 69 48 A 10 LEU H A 10 LEU HBx 1.0 4.25 5.85 70 49 A 10 LEU H A 10 LEU HG 1.0 4.25 5.85 71 50 A 10 LEU H A 10 LEU HDx% 1.0 4.25 5.85 72 50 A 10 LEU H A 10 LEU HDy% 1.0 4.25 5.85 73 51 A 10 LEU HA A 10 LEU HBy 1.0 4.25 5.85 74 52 A 10 LEU HA A 10 LEU HBx 1.0 4.25 5.85 75 53 A 10 LEU HA A 10 LEU HDx% 1.0 2.40 3.75 76 53 A 10 LEU HA A 10 LEU HDy% 1.0 2.40 3.75 77 54 A 10 LEU HBy A 10 LEU HG 1.0 4.25 5.85 78 55 A 10 LEU HBy A 10 LEU HDx% 1.0 2.65 4.00 79 55 A 10 LEU HBy A 10 LEU HDy% 1.0 2.65 4.00 80 56 A 10 LEU HBx A 10 LEU HG 1.0 4.25 5.85 81 57 A 10 LEU HBx A 10 LEU HDx% 1.0 4.25 5.85 82 57 A 10 LEU HBx A 10 LEU HDy% 1.0 4.25 5.85 83 58 A 10 LEU HG A 10 LEU HDx% 1.0 4.25 5.85 84 58 A 10 LEU HG A 10 LEU HDy% 1.0 4.25 5.85 85 59 A 11 PHE HA A 11 PHE H 1.0 2.40 3.75 86 60 A 11 PHE H A 11 PHE HBy 1.0 2.90 4.25 87 61 A 11 PHE H A 11 PHE HBx 1.0 2.90 4.25 88 62 A 11 PHE H A 11 PHE HD% 1.0 4.25 5.85 89 63 A 11 PHE H A 11 PHE HE% 1.0 4.25 5.85 90 64 A 11 PHE HA A 11 PHE HBy 1.0 3.25 4.85 91 65 A 11 PHE HA A 11 PHE HBx 1.0 4.25 5.85 92 66 A 11 PHE HA A 11 PHE HD% 1.0 2.40 3.75 93 67 A 11 PHE HA A 11 PHE HE% 1.0 2.90 4.25 94 68 A 11 PHE HBy A 11 PHE HBx 1.0 3.25 4.85 95 69 A 11 PHE HBy A 11 PHE HD% 1.0 2.90 4.25 96 70 A 11 PHE HBy A 11 PHE HE% 1.0 4.25 5.85 97 71 A 11 PHE HBx A 11 PHE HD% 1.0 2.90 4.25 98 72 A 11 PHE HBx A 11 PHE HE% 1.0 4.25 5.85 99 73 A 11 PHE HD% A 11 PHE HE% 1.0 1.70 2.35 100 74 A 12 ASN HA A 12 ASN H 1.0 2.40 3.75 101 75 A 12 ASN H A 12 ASN HBy 1.0 2.90 4.25 102 76 A 12 ASN H A 12 ASN HBx 1.0 2.40 3.75 103 77 A 12 ASN HA A 12 ASN HBx 1.0 4.25 5.85 104 78 A 12 ASN HBy A 12 ASN HBx 1.0 4.25 5.85 105 79 A 13 ARG HA A 13 ARG H 1.0 2.90 4.25 106 80 A 13 ARG H A 13 ARG HBx 1.0 2.90 4.25 107 80 A 13 ARG H A 13 ARG HBy 1.0 2.90 4.25 108 81 A 13 ARG H A 13 ARG HG2 1.0 4.25 5.85 109 81 A 13 ARG H A 13 ARG HG3 1.0 4.25 5.85 110 82 A 13 ARG HA A 13 ARG HBx 1.0 2.40 3.75 111 82 A 13 ARG HA A 13 ARG HBy 1.0 2.40 3.75 112 83 A 13 ARG HA A 13 ARG HG2 1.0 2.90 4.25 113 83 A 13 ARG HA A 13 ARG HG3 1.0 2.90 4.25 114 84 A 13 ARG HBy A 13 ARG HG2 1.0 2.65 4.00 115 84 A 13 ARG HBx A 13 ARG HG2 1.0 2.65 4.00 116 84 A 13 ARG HG3 A 13 ARG HBx 1.0 2.65 4.00 117 84 A 13 ARG HBy A 13 ARG HG3 1.0 2.65 4.00 118 85 A 13 ARG HBy A 13 ARG HD2 1.0 4.25 5.85 119 85 A 13 ARG HBx A 13 ARG HD2 1.0 4.25 5.85 120 85 A 13 ARG HD3 A 13 ARG HBx 1.0 4.25 5.85 121 85 A 13 ARG HBy A 13 ARG HD3 1.0 4.25 5.85 122 86 A 13 ARG HD3 A 13 ARG HG2 1.0 3.25 4.85 123 86 A 13 ARG HD2 A 13 ARG HG2 1.0 3.25 4.85 124 86 A 13 ARG HG3 A 13 ARG HD2 1.0 3.25 4.85 125 86 A 13 ARG HG3 A 13 ARG HD3 1.0 3.25 4.85 126 87 A 14 SER HBy A 14 SER H 1.0 4.25 5.85 127 88 A 14 SER H A 14 SER HBx 1.0 4.25 5.85 128 89 A 15 PHE HA A 15 PHE H 1.0 2.40 3.75 129 90 A 15 PHE H A 15 PHE HBy 1.0 2.90 4.25 130 91 A 15 PHE H A 15 PHE HBx 1.0 2.90 4.25 131 92 A 15 PHE H A 15 PHE HD% 1.0 2.90 4.25 132 93 A 15 PHE H A 15 PHE HE% 1.0 4.25 5.85 133 94 A 15 PHE HA A 15 PHE HBy 1.0 3.25 4.85 134 95 A 15 PHE HA A 15 PHE HBx 1.0 4.25 5.85 135 96 A 15 PHE HBy A 15 PHE HD% 1.0 2.90 4.25 136 97 A 15 PHE HBy A 15 PHE HE% 1.0 4.25 5.85 137 98 A 15 PHE HBx A 15 PHE HD% 1.0 3.25 4.85 138 99 A 15 PHE HBx A 15 PHE HE% 1.0 4.25 5.85 139 100 A 16 THR H A 16 THR HG2% 1.0 2.90 4.25 140 101 A 16 THR HG2% A 16 THR HA 1.0 2.00 3.25 141 102 A 16 THR HG2% A 16 THR HB 1.0 2.00 3.25 142 103 A 17 GLN HA A 17 GLN H 1.0 2.40 3.75 143 104 A 17 GLN H A 17 GLN HBy 1.0 2.65 4.00 144 105 A 17 GLN H A 17 GLN HBx 1.0 3.25 4.85 145 106 A 17 GLN H A 17 GLN HGy 1.0 4.25 5.85 146 107 A 17 GLN HA A 17 GLN HBy 1.0 2.90 4.25 147 108 A 17 GLN HA A 17 GLN HBx 1.0 2.40 3.75 148 109 A 17 GLN HBy A 17 GLN HBx 1.0 3.25 4.85 149 110 A 17 GLN HBy A 17 GLN HGy 1.0 4.25 5.85 150 111 A 17 GLN HBx A 17 GLN HGy 1.0 4.25 5.85 151 112 A 17 GLN HGy A 17 GLN HGx 1.0 2.90 4.25 152 113 A 18 ALA HA A 18 ALA H 1.0 2.00 3.25 153 114 A 18 ALA H A 18 ALA HB% 1.0 2.00 3.25 154 115 A 18 ALA HA A 18 ALA HB% 1.0 1.70 2.50 155 116 A 19 LEU HA A 19 LEU H 1.0 2.40 3.75 156 117 A 19 LEU H A 19 LEU HBy 1.0 4.25 5.85 157 118 A 19 LEU H A 19 LEU HBx 1.0 2.40 3.75 158 119 A 19 LEU H A 19 LEU HDx% 1.0 2.65 4.00 159 119 A 19 LEU H A 19 LEU HDy% 1.0 2.65 4.00 160 120 A 19 LEU HA A 19 LEU HBx 1.0 4.25 5.85 161 121 A 19 LEU HA A 19 LEU HDx% 1.0 2.40 3.75 162 121 A 19 LEU HA A 19 LEU HDy% 1.0 2.40 3.75 163 122 A 19 LEU HA A 19 LEU HDx% 1.0 4.25 5.85 164 122 A 19 LEU HA A 19 LEU HDy% 1.0 4.25 5.85 165 123 A 19 LEU HBy A 19 LEU HDx% 1.0 2.90 4.25 166 123 A 19 LEU HBy A 19 LEU HDy% 1.0 2.90 4.25 167 124 A 19 LEU HBx A 19 LEU HG 1.0 3.25 4.85 168 125 A 19 LEU HBx A 19 LEU HDx% 1.0 2.90 4.25 169 125 A 19 LEU HBx A 19 LEU HDy% 1.0 2.90 4.25 170 126 A 19 LEU HG A 19 LEU HDx% 1.0 4.25 5.85 171 126 A 19 LEU HDy% A 19 LEU HG 1.0 4.25 5.85 172 127 A 20 GLY HAy A 20 GLY H 1.0 2.40 3.75 173 128 A 20 GLY H A 20 GLY HAx 1.0 2.40 3.75 174 129 A 21 LYS HA A 21 LYS H 1.0 2.90 4.25 175 130 A 21 LYS H A 21 LYS HB3 1.0 4.25 5.85 176 131 A 21 LYS H A 21 LYS HB2 1.0 4.25 5.85 177 132 A 21 LYS H A 21 LYS HD2 1.0 4.25 5.85 178 132 A 21 LYS H A 21 LYS HD3 1.0 4.25 5.85 179 133 A 21 LYS HA A 21 LYS HB2 1.0 4.25 5.85 180 134 A 21 LYS HA A 21 LYS HG2 1.0 4.25 5.85 181 134 A 21 LYS HA A 21 LYS HG3 1.0 4.25 5.85 182 135 A 21 LYS HA A 21 LYS HD2 1.0 4.25 5.85 183 135 A 21 LYS HA A 21 LYS HD3 1.0 4.25 5.85 184 136 A 21 LYS HB3 A 21 LYS HB2 1.0 3.25 4.85 185 137 A 21 LYS HB3 A 21 LYS HG2 1.0 3.25 4.85 186 137 A 21 LYS HB3 A 21 LYS HG3 1.0 3.25 4.85 187 138 A 21 LYS HB2 A 21 LYS HG2 1.0 4.25 5.85 188 138 A 21 LYS HB2 A 21 LYS HG3 1.0 4.25 5.85 189 139 A 21 LYS HB2 A 21 LYS HD2 1.0 4.25 5.85 190 139 A 21 LYS HB2 A 21 LYS HD3 1.0 4.25 5.85 191 140 A 21 LYS HE3 A 21 LYS HG2 1.0 4.25 5.85 192 140 A 21 LYS HE2 A 21 LYS HG2 1.0 4.25 5.85 193 140 A 21 LYS HG3 A 21 LYS HE2 1.0 4.25 5.85 194 140 A 21 LYS HG3 A 21 LYS HE3 1.0 4.25 5.85 195 141 A 21 LYS HD3 A 21 LYS HE2 1.0 4.25 5.85 196 141 A 21 LYS HD2 A 21 LYS HE2 1.0 4.25 5.85 197 141 A 21 LYS HE3 A 21 LYS HD2 1.0 4.25 5.85 198 141 A 21 LYS HD3 A 21 LYS HE3 1.0 4.25 5.85 199 142 A 4 LEU HD1% A 7 PHE HD% 1.0 2.90 4.25 200 143 A 4 LEU HD2% A 7 PHE HBx 1.0 3.63 5.23 201 143 A 4 LEU HD2% A 7 PHE HBy 1.0 3.63 5.23 202 144 A 4 LEU HD2% A 7 PHE HD% 1.0 4.00 5.60 203 145 A 4 LEU HG A 7 PHE HD% 1.0 4.00 5.60 204 146 A 4 LEU HA A 8 PHE H 1.0 3.90 4.35 205 147 A 4 LEU HD1% A 8 PHE HE% 1.0 4.00 5.60 206 148 A 4 LEU HG A 8 PHE HD% 1.0 4.00 5.60 207 149 A 4 LEU HG A 8 PHE HE% 1.0 4.00 5.60 208 150 A 6 THR HA A 7 PHE H 1.0 3.40 3.80 209 151 A 6 THR HB A 7 PHE H 1.0 2.75 4.35 210 152 A 6 THR H A 7 PHE H 1.0 2.75 3.25 211 153 A 6 THR HB A 9 ARG HBy 1.0 2.90 4.25 212 154 A 6 THR HB A 9 ARG HG2 1.0 4.00 5.60 213 154 A 6 THR HB A 9 ARG HG3 1.0 4.00 5.60 214 155 A 6 THR HG2% A 9 ARG HD2 1.0 3.25 4.85 215 155 A 6 THR HG2% A 9 ARG HD3 1.0 3.25 4.85 216 156 A 6 THR HG2% A 10 LEU HDx% 1.0 2.65 4.00 217 156 A 6 THR HG2% A 10 LEU HDy% 1.0 2.65 4.00 218 157 A 6 THR HG2% A 10 LEU HA 1.0 4.00 5.60 219 158 A 6 THR HG2% A 10 LEU HBy 1.0 3.07 4.55 220 159 A 4 LEU HD1% A 7 PHE HBx 1.0 4.00 5.60 221 159 A 4 LEU HD1% A 7 PHE HBy 1.0 4.00 5.60 222 160 A 4 LEU HD2% A 7 PHE HBx 1.0 4.00 5.60 223 160 A 4 LEU HD2% A 7 PHE HBy 1.0 4.00 5.60 224 161 A 6 THR HA A 7 PHE HD% 1.0 2.40 3.75 225 162 A 8 PHE H A 7 PHE HBx 1.0 2.90 4.25 226 162 A 7 PHE HBy A 8 PHE H 1.0 2.90 4.25 227 163 A 7 PHE HD% A 8 PHE HD% 1.0 2.40 3.75 228 164 A 7 PHE HD% A 8 PHE HE% 1.0 3.25 4.85 229 165 A 7 PHE H A 8 PHE H 1.0 2.75 3.25 230 166 A 7 PHE HA A 10 LEU H 1.0 3.35 3.85 231 167 A 7 PHE HD% A 10 LEU HDx% 1.0 4.00 5.60 232 167 A 7 PHE HD% A 10 LEU HDy% 1.0 4.00 5.60 233 168 A 7 PHE HE% A 10 LEU HDx% 1.0 3.25 4.85 234 168 A 7 PHE HE% A 10 LEU HDy% 1.0 3.25 4.85 235 169 A 7 PHE HA A 11 PHE H 1.0 3.90 4.35 236 170 A 11 PHE H A 7 PHE HBx 1.0 4.00 5.60 237 170 A 7 PHE HBy A 11 PHE H 1.0 4.00 5.60 238 171 A 8 PHE HA A 9 ARG H 1.0 3.40 3.80 239 172 A 8 PHE HD% A 9 ARG HA 1.0 4.00 5.60 240 173 A 8 PHE H A 9 ARG H 1.0 2.75 3.25 241 174 A 8 PHE HA A 11 PHE HBy 1.0 4.00 5.60 242 175 A 8 PHE HA A 11 PHE HBx 1.0 2.40 3.75 243 176 A 11 PHE HBy A 8 PHE HBx 1.0 3.25 4.85 244 176 A 8 PHE HBy A 11 PHE HBy 1.0 3.25 4.85 245 177 A 11 PHE HBx A 8 PHE HBx 1.0 3.63 5.23 246 177 A 8 PHE HBy A 11 PHE HBx 1.0 3.63 5.23 247 178 A 8 PHE HA A 12 ASN H 1.0 3.90 4.35 248 179 A 12 ASN H A 8 PHE HBx 1.0 4.00 5.60 249 179 A 8 PHE HBy A 12 ASN H 1.0 4.00 5.60 250 180 A 8 PHE HD% A 9 ARG HA 1.0 3.25 4.85 251 181 A 8 PHE HE% A 9 ARG HA 1.0 4.00 5.60 252 182 A 9 ARG HA A 10 LEU H 1.0 3.40 3.80 253 183 A 9 ARG HBy A 10 LEU H 1.0 4.00 5.60 254 184 A 9 ARG HBy A 10 LEU HDx% 1.0 4.00 5.60 255 184 A 9 ARG HBy A 10 LEU HDy% 1.0 4.00 5.60 256 185 A 9 ARG HBx A 10 LEU H 1.0 4.00 5.60 257 186 A 9 ARG H A 10 LEU H 1.0 2.75 3.25 258 187 A 9 ARG HA A 12 ASN HBy 1.0 2.40 3.75 259 188 A 6 THR HG2% A 10 LEU HBy 1.0 4.00 5.60 260 189 A 6 THR HB A 10 LEU HDx% 1.0 2.90 4.25 261 189 A 6 THR HB A 10 LEU HDy% 1.0 2.90 4.25 262 190 A 7 PHE HE% A 10 LEU HA 1.0 4.00 5.60 263 191 A 7 PHE HA A 10 LEU HBy 1.0 4.00 5.60 264 192 A 7 PHE HA A 10 LEU HBx 1.0 3.25 4.85 265 193 A 7 PHE HA A 10 LEU HDx% 1.0 2.40 3.75 266 193 A 7 PHE HA A 10 LEU HDy% 1.0 2.40 3.75 267 194 A 7 PHE HBx A 10 LEU HDx% 1.0 3.25 4.85 268 194 A 7 PHE HBy A 10 LEU HDx% 1.0 3.25 4.85 269 194 A 10 LEU HDy% A 7 PHE HBx 1.0 3.25 4.85 270 194 A 7 PHE HBy A 10 LEU HDy% 1.0 3.25 4.85 271 195 A 10 LEU HA A 11 PHE H 1.0 3.40 3.80 272 196 A 10 LEU HBx A 11 PHE H 1.0 4.00 5.60 273 197 A 10 LEU H A 11 PHE H 1.0 2.75 3.25 274 198 A 10 LEU HA A 13 ARG H 1.0 3.45 3.95 275 199 A 10 LEU HA A 13 ARG HD2 1.0 2.40 3.75 276 199 A 10 LEU HA A 13 ARG HD3 1.0 2.40 3.75 277 200 A 7 PHE HA A 11 PHE HBy 1.0 2.40 3.75 278 201 A 7 PHE HA A 11 PHE HBx 1.0 2.40 3.75 279 202 A 11 PHE HA A 12 ASN H 1.0 3.40 3.80 280 203 A 11 PHE HBy A 12 ASN H 1.0 2.40 3.75 281 204 A 11 PHE HBx A 12 ASN H 1.0 4.00 5.60 282 205 A 11 PHE HD% A 12 ASN HA 1.0 4.00 5.60 283 206 A 11 PHE HE% A 12 ASN HA 1.0 4.00 5.60 284 207 A 11 PHE H A 12 ASN H 1.0 2.75 3.25 285 208 A 11 PHE HA A 15 PHE HBy 1.0 2.90 4.25 286 209 A 11 PHE HBy A 15 PHE HD% 1.0 4.00 5.60 287 210 A 11 PHE HD% A 15 PHE HBy 1.0 2.40 3.75 288 211 A 11 PHE HE% A 15 PHE HD% 1.0 4.00 5.60 289 212 A 11 PHE H A 15 PHE H 1.0 5.00 6.60 290 213 A 8 PHE HD% A 12 ASN HBx 1.0 4.00 5.60 291 214 A 12 ASN HA A 13 ARG H 1.0 3.40 3.80 292 215 A 12 ASN HBy A 13 ARG H 1.0 4.00 5.60 293 216 A 12 ASN HBx A 13 ARG H 1.0 3.25 4.85 294 217 A 12 ASN H A 13 ARG H 1.0 2.75 3.25 295 218 A 12 ASN HA A 15 PHE H 1.0 3.35 3.85 296 219 A 12 ASN HA A 15 PHE HBy 1.0 3.07 4.55 297 220 A 12 ASN HA A 15 PHE HBx 1.0 2.65 4.00 298 221 A 13 ARG HA A 15 PHE H 1.0 4.00 5.60 299 222 A 13 ARG HA A 16 THR H 1.0 3.35 3.85 300 223 A 14 SER H A 13 ARG HBx 1.0 4.00 5.60 301 223 A 13 ARG HBy A 14 SER H 1.0 4.00 5.60 302 224 A 14 SER HBx A 15 PHE H 1.0 4.00 5.60 303 225 A 14 SER H A 15 PHE H 1.0 2.75 3.25 304 226 A 11 PHE HBy A 15 PHE HE% 1.0 4.00 5.60 305 227 A 11 PHE HBx A 15 PHE HE% 1.0 3.25 4.85 306 228 A 15 PHE HA A 16 THR H 1.0 3.40 3.80 307 229 A 15 PHE HBy A 16 THR H 1.0 4.00 5.60 308 230 A 15 PHE HBx A 16 THR H 1.0 4.00 5.60 309 231 A 15 PHE H A 16 THR H 1.0 2.75 3.25 310 232 A 15 PHE HA A 18 ALA H 1.0 3.35 3.85 311 233 A 15 PHE HA A 18 ALA HB% 1.0 3.25 4.85 312 234 A 15 PHE HD% A 19 LEU HDx% 1.0 4.00 5.60 313 234 A 15 PHE HD% A 19 LEU HDy% 1.0 4.00 5.60 314 235 A 15 PHE HE% A 19 LEU HDx% 1.0 3.07 4.55 315 235 A 15 PHE HE% A 19 LEU HDy% 1.0 3.07 4.55 316 236 A 15 PHE HE% A 19 LEU HDx% 1.0 2.40 3.75 317 236 A 15 PHE HE% A 19 LEU HDy% 1.0 2.40 3.75 318 237 A 12 ASN HA A 16 THR HG2% 1.0 4.00 5.60 319 238 A 16 THR HB A 13 ARG HD2 1.0 2.40 3.75 320 238 A 13 ARG HD3 A 16 THR HB 1.0 2.40 3.75 321 239 A 13 ARG HA A 16 THR HG2% 1.0 2.90 4.25 322 240 A 15 PHE HD% A 16 THR HB 1.0 2.90 4.25 323 241 A 15 PHE HE% A 16 THR HB 1.0 4.00 5.60 324 242 A 15 PHE HD% A 16 THR HG2% 1.0 4.00 5.60 325 243 A 15 PHE HE% A 16 THR HG2% 1.0 4.00 5.60 326 244 A 16 THR HA A 17 GLN H 1.0 3.40 3.80 327 245 A 16 THR HB A 17 GLN H 1.0 4.00 5.60 328 246 A 16 THR HB A 17 GLN HBy 1.0 2.40 3.75 329 247 A 16 THR HB A 17 GLN HBx 1.0 2.90 4.25 330 248 A 16 THR HB A 19 LEU HDx% 1.0 4.00 5.60 331 248 A 16 THR HB A 19 LEU HDy% 1.0 4.00 5.60 332 249 A 16 THR HB A 19 LEU HBx 1.0 3.25 4.85 333 250 A 16 THR HB A 19 LEU HDx% 1.0 2.40 3.75 334 250 A 16 THR HB A 19 LEU HDy% 1.0 2.40 3.75 335 251 A 16 THR HA A 20 GLY H 1.0 3.90 4.35 336 252 A 17 GLN HBy A 18 ALA H 1.0 2.90 4.25 337 253 A 17 GLN HBy A 18 ALA HB% 1.0 4.00 5.60 338 254 A 17 GLN HBy A 18 ALA HA 1.0 2.40 3.75 339 255 A 17 GLN H A 18 ALA H 1.0 2.75 3.25 340 256 A 17 GLN HA A 20 GLY H 1.0 3.35 3.85 341 257 A 15 PHE HBx A 18 ALA HB% 1.0 4.00 5.60 342 258 A 15 PHE HD% A 18 ALA HB% 1.0 4.00 5.60 343 259 A 18 ALA HA A 19 LEU H 1.0 3.40 3.80 344 260 A 18 ALA HB% A 19 LEU H 1.0 2.40 3.75 345 261 A 18 ALA HB% A 19 LEU HDx% 1.0 3.07 4.55 346 261 A 18 ALA HB% A 19 LEU HDy% 1.0 3.07 4.55 347 262 A 18 ALA H A 19 LEU H 1.0 2.75 3.25 348 263 A 15 PHE HA A 19 LEU HDx% 1.0 2.00 3.25 349 263 A 15 PHE HA A 19 LEU HDy% 1.0 2.00 3.25 350 264 A 15 PHE HD% A 19 LEU HDx% 1.0 4.00 5.60 351 264 A 15 PHE HD% A 19 LEU HDy% 1.0 4.00 5.60 352 265 A 16 THR HA A 19 LEU HDx% 1.0 4.00 5.60 353 265 A 16 THR HA A 19 LEU HDy% 1.0 4.00 5.60 354 266 A 18 ALA HB% A 19 LEU HDx% 1.0 3.25 4.85 355 266 A 18 ALA HB% A 19 LEU HDy% 1.0 3.25 4.85 356 267 A 18 ALA HA A 19 LEU HDx% 1.0 3.25 4.85 357 267 A 18 ALA HA A 19 LEU HDy% 1.0 3.25 4.85 358 268 A 19 LEU HA A 20 GLY H 1.0 3.40 3.80 359 269 A 19 LEU HBy A 20 GLY H 1.0 4.00 5.60 360 270 A 19 LEU HBx A 20 GLY H 1.0 4.00 5.60 361 271 A 19 LEU H A 20 GLY H 1.0 2.75 3.25 362 272 A 20 GLY HAy A 21 LYS H 1.0 3.40 3.80 363 273 A 20 GLY HAx A 21 LYS H 1.0 3.40 3.80 364 274 A 18 ALA HB% A 21 LYS HE2 1.0 4.00 5.60 365 274 A 18 ALA HB% A 21 LYS HE3 1.0 4.00 5.60 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 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 8 PHE H A 4 LEU O 1.0 1.2 1.9 2 2 A 9 ARG H A 5 SER O 1.0 1.2 1.9 3 3 A 10 LEU H A 6 THR O 1.0 1.2 1.9 4 4 A 11 PHE H A 7 PHE O 1.0 1.2 1.9 5 5 A 12 ASN H A 8 PHE O 1.0 1.2 1.9 6 6 A 13 ARG H A 9 ARG O 1.0 1.2 1.9 7 7 A 14 SER H A 10 LEU O 1.0 1.2 1.9 8 8 A 15 PHE H A 11 PHE O 1.0 1.2 1.9 9 9 A 16 THR H A 12 ASN O 1.0 1.2 1.9 10 10 A 17 GLN H A 13 ARG O 1.0 1.2 1.9 11 11 A 18 ALA H A 14 SER O 1.0 1.2 1.9 12 12 A 19 LEU H A 15 PHE O 1.0 1.2 1.9 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 5 SER C A 6 THR N A 6 THR CA A 6 THR C 1.0 -90.0 -30.0 PHI 2 2 A 6 THR C A 7 PHE N A 7 PHE CA A 7 PHE C 1.0 -90.0 -30.0 PHI 3 3 A 7 PHE C A 8 PHE N A 8 PHE CA A 8 PHE C 1.0 -90.0 -30.0 PHI 4 4 A 8 PHE C A 9 ARG N A 9 ARG CA A 9 ARG C 1.0 -90.0 -30.0 PHI 5 5 A 9 ARG C A 10 LEU N A 10 LEU CA A 10 LEU C 1.0 -90.0 -30.0 PHI 6 6 A 10 LEU C A 11 PHE N A 11 PHE CA A 11 PHE C 1.0 -90.0 -30.0 PHI 7 7 A 11 PHE C A 12 ASN N A 12 ASN CA A 12 ASN C 1.0 -90.0 -30.0 PHI 8 8 A 12 ASN C A 13 ARG N A 13 ARG CA A 13 ARG C 1.0 -90.0 -30.0 PHI 9 9 A 13 ARG C A 14 SER N A 14 SER CA A 14 SER C 1.0 -90.0 -30.0 PHI 10 10 A 14 SER C A 15 PHE N A 15 PHE CA A 15 PHE C 1.0 -90.0 -30.0 PHI 11 11 A 15 PHE C A 16 THR N A 16 THR CA A 16 THR C 1.0 -90.0 -30.0 PHI 12 12 A 16 THR C A 17 GLN N A 17 GLN CA A 17 GLN C 1.0 -90.0 -30.0 PHI 13 13 A 17 GLN C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -90.0 -30.0 PHI 14 14 A 18 ALA C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 -90.0 -30.0 PHI stop_ save_