data_nef_c25174_2mto save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2JUT PDB 2MTO 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 3 CYS SG 1 12 CYS SG 1 1 GLY C 1 2 ABA N 1 2 ABA C 1 3 CYS N 1 7 ARG C 1 8 ABA N 1 8 ABA C 1 9 ARG 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 GLY start . false 2 A 2 ABA middle . . 3 A 3 CYS middle -HG . 4 A 4 SER middle . . 5 A 5 ASP middle . . 6 A 6 PRO middle . false 7 A 7 ARG middle . . 8 A 8 ABA middle . . 9 A 9 ARG middle . . 10 A 10 TYR middle . . 11 A 11 ARG middle . . 12 A 12 CYS middle -HG . 13 A 13 ARG 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 GLY HAx H 1 3.931 0.006 A 1 GLY HAy H 1 3.962 0.004 A 1 GLY CA C 13 43.363 0.000 A 2 ABA H H 1 8.767 0.002 A 2 ABA HA H 1 4.667 0.003 A 2 ABA HBy H 1 2.728 0.005 A 2 ABA HBx H 1 2.602 0.004 A 2 ABA HG% H 1 5.634 0.003 A 2 ABA CA C 13 56.334 0.000 A 2 ABA CB C 13 31.669 0.032 A 2 ABA CG C 13 129.248 0.000 A 2 ABA N N 15 119.007 0.000 A 3 CYS H H 1 8.158 0.002 A 3 CYS HA H 1 4.452 0.003 A 3 CYS HBy H 1 3.380 0.003 A 3 CYS HBx H 1 2.986 0.002 A 3 CYS CA C 13 56.965 0.000 A 3 CYS CB C 13 41.372 0.043 A 3 CYS N N 15 115.656 0.000 A 4 SER H H 1 8.554 0.004 A 4 SER HA H 1 4.369 0.000 A 4 SER HBx H 1 3.980 0.004 A 4 SER CA C 13 58.608 0.000 A 4 SER CB C 13 62.908 0.000 A 4 SER N N 15 114.552 0.000 A 5 ASP H H 1 7.937 0.002 A 5 ASP HA H 1 5.096 0.002 A 5 ASP HBy H 1 3.083 0.007 A 5 ASP HBx H 1 2.788 0.009 A 5 ASP CA C 13 50.787 0.000 A 5 ASP CB C 13 40.748 0.001 A 5 ASP N N 15 121.374 0.000 A 6 PRO HA H 1 4.320 0.007 A 6 PRO HBy H 1 2.398 0.002 A 6 PRO HBx H 1 1.964 0.007 A 6 PRO HDx H 1 3.921 0.005 A 6 PRO HGx H 1 2.035 0.010 A 6 PRO HGy H 1 2.064 0.005 A 6 PRO CA C 13 64.894 0.000 A 6 PRO CB C 13 32.316 0.006 A 6 PRO CD C 13 51.163 0.000 A 6 PRO CG C 13 27.454 0.000 A 7 ARG H H 1 8.115 0.002 A 7 ARG HA H 1 4.217 0.002 A 7 ARG HBy H 1 1.891 0.003 A 7 ARG HBx H 1 1.779 0.005 A 7 ARG HDx H 1 3.214 0.002 A 7 ARG HE H 1 7.418 0.002 A 7 ARG HGx H 1 1.644 0.002 A 7 ARG CA C 13 56.607 0.052 A 7 ARG CB C 13 30.225 0.000 A 7 ARG CG C 13 27.295 0.000 A 7 ARG N N 15 115.647 0.000 A 8 ABA H H 1 7.776 0.002 A 8 ABA HA H 1 4.275 0.005 A 8 ABA HBx H 1 2.593 0.008 A 8 ABA HG% H 1 5.626 0.003 A 8 ABA CA C 13 56.058 0.056 A 8 ABA CB C 13 32.389 0.000 A 8 ABA CG C 13 131.485 0.000 A 8 ABA N N 15 121.042 0.000 A 9 ARG H H 1 8.293 0.002 A 9 ARG HA H 1 4.127 0.004 A 9 ARG HBy H 1 1.718 0.003 A 9 ARG HBx H 1 1.671 0.002 A 9 ARG HDx H 1 3.112 0.002 A 9 ARG HE H 1 7.083 0.002 A 9 ARG HGx H 1 1.479 0.004 A 9 ARG CA C 13 57.118 0.004 A 9 ARG CB C 13 29.696 0.014 A 9 ARG CG C 13 26.892 0.000 A 9 ARG N N 15 122.240 0.000 A 10 TYR H H 1 7.412 0.002 A 10 TYR HA H 1 4.623 0.003 A 10 TYR HBy H 1 3.112 0.005 A 10 TYR HBx H 1 2.928 0.007 A 10 TYR HDx H 1 7.125 0.003 A 10 TYR HDy H 1 7.125 0.003 A 10 TYR HEx H 1 6.870 0.003 A 10 TYR HEy H 1 6.870 0.003 A 10 TYR CA C 13 56.261 0.000 A 10 TYR CB C 13 38.916 0.032 A 10 TYR CDx C 13 133.463 0.000 A 10 TYR CDy C 13 133.463 0.000 A 10 TYR CEx C 13 118.203 0.000 A 10 TYR CEy C 13 118.203 0.000 A 10 TYR N N 15 118.230 0.000 A 11 ARG H H 1 8.268 0.002 A 11 ARG HA H 1 4.264 0.002 A 11 ARG HBx H 1 1.778 0.004 A 11 ARG HBy H 1 1.811 0.002 A 11 ARG HDx H 1 3.181 0.002 A 11 ARG HE H 1 7.160 0.002 A 11 ARG HGx H 1 1.559 0.003 A 11 ARG CA C 13 56.149 0.000 A 11 ARG CB C 13 30.598 0.000 A 11 ARG CG C 13 27.128 0.000 A 11 ARG N N 15 120.334 0.000 A 12 CYS H H 1 8.514 0.002 A 12 CYS HA H 1 4.613 0.002 A 12 CYS HBy H 1 3.196 0.004 A 12 CYS HBx H 1 3.109 0.005 A 12 CYS CA C 13 56.492 0.000 A 12 CYS CB C 13 43.258 0.015 A 12 CYS N N 15 121.083 0.000 A 13 ARG H H 1 8.181 0.002 A 13 ARG HA H 1 4.271 0.000 A 13 ARG HBy H 1 1.895 0.003 A 13 ARG HBx H 1 1.767 0.003 A 13 ARG HDx H 1 3.198 0.002 A 13 ARG HE H 1 7.182 0.002 A 13 ARG HGx H 1 1.623 0.007 A 13 ARG CA C 13 57.404 1.232 A 13 ARG CB C 13 30.970 0.009 A 13 ARG CG C 13 27.242 0.000 A 13 ARG N N 15 126.012 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 10 TYR HA A 10 TYR HBy 1.0 1.8 3.41 2 2 A 10 TYR HA A 10 TYR HBx 1.0 1.8 3.41 3 3 A 10 TYR HA A 11 ARG H 1.0 1.8 3.64 4 4 A 10 TYR HBy A 11 ARG H 1.0 1.8 3.71 5 5 A 10 TYR HBy A 10 TYR HBx 1.0 1.8 2.40 6 6 A 10 TYR HBx A 11 ARG H 1.0 1.8 3.82 7 7 A 10 TYR HA A 10 TYR H 1.0 1.8 4.98 8 8 A 10 TYR HBy A 10 TYR H 1.0 1.8 5.50 9 9 A 10 TYR HBx A 10 TYR H 1.0 1.8 4.80 10 10 A 11 ARG H A 10 TYR H 1.0 1.8 4.39 11 11 A 11 ARG HA A 11 ARG HBx 1.0 1.8 3.60 12 12 A 11 ARG HA A 11 ARG HBy 1.0 1.8 3.51 13 13 A 11 ARG HA A 11 ARG HDx 1.0 1.8 4.94 14 14 A 11 ARG HA A 11 ARG HE 1.0 1.8 5.50 15 15 A 11 ARG HA A 11 ARG HGx 1.0 1.8 3.93 16 16 A 11 ARG HA A 12 CYS H 1.0 1.8 3.45 17 17 A 11 ARG HBx A 11 ARG HDx 1.0 1.8 4.53 18 18 A 11 ARG HBx A 11 ARG HGx 1.0 1.8 3.20 19 19 A 11 ARG HBx A 12 CYS H 1.0 1.8 4.06 20 20 A 11 ARG HBy A 11 ARG HDx 1.0 1.8 4.38 21 21 A 11 ARG HBy A 12 CYS H 1.0 1.8 3.95 22 22 A 11 ARG HDx A 11 ARG HGx 1.0 1.8 3.26 23 23 A 11 ARG HGx A 12 CYS H 1.0 1.8 4.75 24 24 A 11 ARG H A 11 ARG HA 1.0 1.8 3.24 25 25 A 11 ARG H A 11 ARG HBx 1.0 1.8 3.62 26 26 A 11 ARG H A 11 ARG HBy 1.0 1.8 3.34 27 27 A 11 ARG H A 11 ARG HDx 1.0 1.8 4.94 28 28 A 11 ARG H A 11 ARG HE 1.0 1.8 5.43 29 29 A 11 ARG H A 11 ARG HGx 1.0 1.8 3.95 30 30 A 12 CYS HA A 12 CYS HBy 1.0 1.8 3.61 31 31 A 12 CYS HA A 12 CYS HBx 1.0 1.8 3.27 32 32 A 12 CYS HA A 13 ARG H 1.0 1.8 3.41 33 33 A 12 CYS HBy A 12 CYS HBx 1.0 1.8 2.40 34 34 A 12 CYS HBx A 13 ARG H 1.0 1.8 4.29 35 35 A 12 CYS H A 12 CYS HA 1.0 1.8 3.60 36 36 A 12 CYS H A 12 CYS HBy 1.0 1.8 3.84 37 37 A 12 CYS H A 12 CYS HBx 1.0 1.8 3.58 38 38 A 12 CYS H A 13 ARG H 1.0 1.8 3.78 39 39 A 13 ARG HBy A 13 ARG HBx 1.0 1.8 2.40 40 40 A 13 ARG HBy A 13 ARG HDx 1.0 1.8 4.99 41 41 A 13 ARG HBx A 13 ARG HGx 1.0 1.8 2.87 42 42 A 13 ARG HDx A 13 ARG HGx 1.0 1.8 4.22 43 43 A 13 ARG H A 13 ARG HBy 1.0 1.8 3.78 44 44 A 13 ARG H A 13 ARG HBx 1.0 1.8 4.59 45 45 A 13 ARG H A 13 ARG HDx 1.0 1.8 3.91 46 46 A 13 ARG H A 13 ARG HGx 1.0 1.8 5.00 47 47 A 1 GLY HAx A 2 ABA H 1.0 1.8 3.16 48 48 A 1 GLY HAx A 3 CYS H 1.0 1.8 4.61 49 49 A 2 ABA H A 1 GLY HAy 1.0 1.8 3.11 50 50 A 2 ABA HA A 2 ABA HBx 1.0 1.8 3.27 51 51 A 3 CYS H A 2 ABA HA 1.0 1.8 3.72 52 52 A 2 ABA HA A 5 ASP H 1.0 1.8 4.83 53 53 A 3 CYS H A 2 ABA HBx 1.0 1.8 4.50 54 54 A 3 CYS H A 2 ABA HBy 1.0 1.8 4.49 55 55 A 2 ABA H A 2 ABA HA 1.0 1.8 5.34 56 56 A 2 ABA H A 2 ABA HBx 1.0 1.8 5.50 57 57 A 2 ABA H A 2 ABA HBy 1.0 1.8 3.76 58 58 A 2 ABA H A 3 CYS H 1.0 1.8 3.76 59 59 A 12 CYS HBy A 3 CYS HA 1.0 1.8 4.41 60 60 A 12 CYS HBx A 3 CYS HA 1.0 1.8 3.79 61 61 A 3 CYS HA A 3 CYS HBy 1.0 1.8 4.65 62 62 A 3 CYS HA A 3 CYS HBx 1.0 1.8 3.96 63 63 A 3 CYS HA A 4 SER H 1.0 1.8 3.46 64 64 A 5 ASP H A 3 CYS HA 1.0 1.8 5.07 65 65 A 6 PRO HA A 9 ARG HA 1.0 1.8 4.50 66 66 A 12 CYS HA A 3 CYS HBy 1.0 1.8 4.60 67 67 A 3 CYS HBy A 4 SER H 1.0 1.8 3.80 68 68 A 3 CYS HBx A 4 SER H 1.0 1.8 4.29 69 69 A 12 CYS HBx A 3 CYS H 1.0 1.8 5.02 70 70 A 3 CYS H A 3 CYS HA 1.0 1.8 5.50 71 71 A 3 CYS H A 3 CYS HBy 1.0 1.8 5.50 72 72 A 3 CYS H A 4 SER H 1.0 1.8 3.86 73 73 A 5 ASP H A 4 SER HA 1.0 1.8 3.81 74 74 A 5 ASP H A 4 SER HBx 1.0 1.8 4.60 75 75 A 4 SER H A 4 SER HA 1.0 1.8 3.34 76 76 A 4 SER H A 4 SER HBx 1.0 1.8 3.57 77 77 A 5 ASP H A 4 SER H 1.0 1.8 3.33 78 78 A 5 ASP HA A 5 ASP HBy 1.0 1.8 3.70 79 79 A 5 ASP HA A 5 ASP HBx 1.0 1.8 3.35 80 80 A 5 ASP HA A 6 PRO HDx 1.0 1.8 2.71 81 81 A 5 ASP HA A 7 ARG H 1.0 1.8 5.00 82 82 A 5 ASP HBy A 6 PRO HDx 1.0 1.8 3.85 83 83 A 5 ASP HBx A 6 PRO HDx 1.0 1.8 4.63 84 84 A 5 ASP HBx A 7 ARG H 1.0 1.8 4.74 85 85 A 5 ASP HBx A 8 ABA H 1.0 1.8 4.33 86 86 A 5 ASP H A 5 ASP HA 1.0 1.8 4.65 87 87 A 5 ASP H A 5 ASP HBy 1.0 1.8 5.50 88 88 A 5 ASP H A 5 ASP HBx 1.0 1.8 4.54 89 89 A 5 ASP H A 6 PRO HDx 1.0 1.8 4.89 90 90 A 5 ASP H A 8 ABA H 1.0 1.8 4.80 91 91 A 6 PRO HA A 7 ARG H 1.0 1.8 4.34 92 92 A 6 PRO HA A 6 PRO HBy 1.0 1.8 3.52 93 93 A 6 PRO HDx A 6 PRO HBy 1.0 1.8 4.56 94 94 A 6 PRO HA A 6 PRO HBx 1.0 1.8 4.01 95 95 A 6 PRO HBy A 6 PRO HBx 1.0 1.8 2.87 96 96 A 6 PRO HDx A 6 PRO HBx 1.0 1.8 4.17 97 97 A 6 PRO HBx A 6 PRO HGx 1.0 1.8 3.10 98 98 A 7 ARG H A 6 PRO HBx 1.0 1.8 4.14 99 99 A 6 PRO HA A 6 PRO HDx 1.0 1.8 5.50 100 100 A 6 PRO HDx A 7 ARG H 1.0 1.8 3.90 101 101 A 6 PRO HDx A 8 ABA H 1.0 1.8 5.29 102 102 A 6 PRO HA A 6 PRO HGx 1.0 1.8 4.54 103 103 A 6 PRO HBy A 6 PRO HGx 1.0 1.8 3.36 104 104 A 6 PRO HDx A 6 PRO HGx 1.0 1.8 3.32 105 105 A 7 ARG H A 6 PRO HGx 1.0 1.8 4.60 106 106 A 6 PRO HA A 6 PRO HGy 1.0 1.8 4.20 107 107 A 6 PRO HBy A 6 PRO HGy 1.0 1.8 2.80 108 108 A 6 PRO HDx A 6 PRO HGy 1.0 1.8 2.92 109 109 A 6 PRO HGx A 6 PRO HGy 1.0 1.8 2.40 110 110 A 7 ARG H A 6 PRO HGy 1.0 1.8 4.43 111 111 A 7 ARG HA A 7 ARG HBy 1.0 1.8 4.02 112 112 A 7 ARG HA A 7 ARG HBx 1.0 1.8 3.85 113 113 A 7 ARG HA A 7 ARG HE 1.0 1.8 5.50 114 114 A 7 ARG HA A 7 ARG HGx 1.0 1.8 3.57 115 115 A 8 ABA H A 7 ARG HA 1.0 1.8 3.94 116 116 A 7 ARG HBy A 7 ARG HBx 1.0 1.8 2.40 117 117 A 7 ARG HBy A 7 ARG HDx 1.0 1.8 4.54 118 118 A 7 ARG HBy A 7 ARG HGx 1.0 1.8 3.01 119 119 A 8 ABA H A 7 ARG HBy 1.0 1.8 4.19 120 120 A 7 ARG HBx A 7 ARG HGx 1.0 1.8 3.03 121 121 A 8 ABA H A 7 ARG HBx 1.0 1.8 4.60 122 122 A 7 ARG HGx A 7 ARG HDx 1.0 1.8 3.93 123 123 A 8 ABA H A 7 ARG HGx 1.0 1.8 4.97 124 124 A 7 ARG H A 7 ARG HDx 1.0 1.8 5.50 125 125 A 7 ARG H A 7 ARG HE 1.0 1.8 4.27 126 126 A 8 ABA HA A 8 ABA HBy 1.0 1.8 2.99 127 127 A 8 ABA HA A 9 ARG H 1.0 1.8 3.71 128 128 A 10 TYR HBx A 8 ABA HBx 1.0 1.8 3.71 129 128 A 5 ASP HBx A 8 ABA HBx 1.0 1.8 3.71 130 129 A 10 TYR H A 8 ABA HBy 1.0 1.8 5.04 131 130 A 8 ABA HBy A 9 ARG H 1.0 1.8 4.47 132 131 A 8 ABA H A 8 ABA HA 1.0 1.8 5.29 133 132 A 8 ABA H A 8 ABA HBy 1.0 1.8 4.63 134 133 A 8 ABA H A 9 ARG H 1.0 1.8 4.24 135 134 A 10 TYR H A 9 ARG HA 1.0 1.8 3.60 136 135 A 9 ARG HA A 9 ARG HBy 1.0 1.8 3.74 137 136 A 9 ARG HA A 9 ARG HBx 1.0 1.8 4.21 138 137 A 9 ARG HA A 9 ARG HDx 1.0 1.8 4.57 139 138 A 9 ARG HA A 9 ARG HGx 1.0 1.8 4.10 140 139 A 10 TYR H A 9 ARG HBy 1.0 1.8 4.19 141 140 A 9 ARG HBy A 9 ARG HDx 1.0 1.8 4.90 142 141 A 9 ARG HBy A 9 ARG HGx 1.0 1.8 3.05 143 142 A 10 TYR H A 9 ARG HBx 1.0 1.8 4.53 144 143 A 9 ARG HBy A 9 ARG HBx 1.0 1.8 2.40 145 144 A 9 ARG HBx A 9 ARG HDx 1.0 1.8 4.90 146 145 A 9 ARG HBx A 9 ARG HGx 1.0 1.8 2.52 147 146 A 10 TYR H A 9 ARG HGx 1.0 1.8 4.81 148 147 A 9 ARG HDx A 9 ARG HGx 1.0 1.8 3.34 149 148 A 10 TYR H A 9 ARG H 1.0 1.8 3.70 150 149 A 9 ARG HA A 9 ARG H 1.0 1.8 3.53 151 150 A 9 ARG H A 9 ARG HBy 1.0 1.8 3.83 152 151 A 9 ARG H A 9 ARG HBx 1.0 1.8 3.39 153 152 A 9 ARG H A 9 ARG HDx 1.0 1.8 5.50 154 153 A 9 ARG H A 9 ARG HGx 1.0 1.8 4.32 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 2 ABA C A 3 CYS N A 3 CYS CA A 3 CYS C 1.0 -87.4 -47.4 PHI 2 2 A 6 PRO C A 7 ARG N A 7 ARG CA A 7 ARG C 1.0 -99.5 -59.5 PHI 3 3 A 7 ARG N A 7 ARG CA A 7 ARG C A 8 ABA N 1.0 -37.2 13.2 PSI 4 4 A 8 ABA C A 9 ARG N A 9 ARG CA A 9 ARG C 1.0 -99.0 -52.2 PHI 5 5 A 9 ARG C A 10 TYR N A 10 TYR CA A 10 TYR C 1.0 -137.1 -62.7 PHI 6 6 A 11 ARG C A 12 CYS N A 12 CYS CA A 12 CYS C 1.0 -180.0 0.0 PHI 7 7 A 12 CYS C A 13 ARG N A 13 ARG CA A 13 ARG C 1.0 -160.0 -80.0 PHI stop_ save_