data_nef_c18102_2lm8 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_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 LYS start . . 2 A 2 TRP middle . . 3 A 3 PHE middle . . 4 A 4 ARG middle . . 5 A 5 VAL middle . . 6 A 6 TYR middle . . 7 A 7 ARG middle . . 8 A 8 GLY middle . false 9 A 9 ILE middle . . 10 A 10 TYR middle . . 11 A 11 ARG middle . . 12 A 12 ARG middle . . 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 LYS HA H 1 3.944 0.005 A 1 LYS HBy H 1 1.803 0.006 A 1 LYS HBx H 1 1.648 0.002 A 1 LYS HGx H 1 1.314 0.004 A 2 TRP H H 1 8.611 0.001 A 2 TRP HA H 1 4.667 0.006 A 2 TRP HBy H 1 3.200 0.002 A 2 TRP HBx H 1 2.939 0.002 A 2 TRP HD1 H 1 7.227 0.006 A 2 TRP HE1 H 1 10.105 0.002 A 2 TRP HE3 H 1 7.555 0.001 A 2 TRP HZ2 H 1 7.466 0.002 A 3 PHE H H 1 7.906 0.003 A 3 PHE HA H 1 4.439 0.004 A 3 PHE HBy H 1 2.944 0.004 A 3 PHE HBx H 1 2.826 0.002 A 3 PHE HDx H 1 7.290 0.003 A 3 PHE HEx H 1 7.148 0.005 A 4 ARG H H 1 8.009 0.006 A 4 ARG HA H 1 4.021 0.006 A 4 ARG HBy H 1 1.599 0.002 A 4 ARG HBx H 1 1.451 0.003 A 4 ARG HDx H 1 3.130 0.013 A 4 ARG HDy H 1 3.130 0.013 A 4 ARG HGx H 1 1.350 0.005 A 4 ARG HGy H 1 1.350 0.005 A 5 VAL H H 1 8.076 0.005 A 5 VAL HA H 1 4.031 0.006 A 5 VAL HB H 1 1.946 0.001 A 5 VAL HG11 H 1 0.882 0.006 A 5 VAL HG12 H 1 0.882 0.006 A 5 VAL HG13 H 1 0.826 0.007 A 6 TYR H H 1 8.507 0.002 A 6 TYR HA H 1 4.566 0.009 A 6 TYR HBy H 1 3.132 0.004 A 6 TYR HBx H 1 2.935 0.001 A 6 TYR HDy H 1 7.100 0.000 A 7 ARG H H 1 8.331 0.005 A 7 ARG HA H 1 4.292 0.006 A 7 ARG HBy H 1 1.810 0.007 A 7 ARG HBx H 1 1.652 0.007 A 7 ARG HDx H 1 3.197 0.002 A 7 ARG HDy H 1 3.197 0.002 A 7 ARG HGx H 1 1.549 0.013 A 7 ARG HGy H 1 1.549 0.013 A 8 GLY H H 1 7.784 0.001 A 8 GLY HAx H 1 3.863 0.001 A 8 GLY HAy H 1 3.863 0.001 A 9 ILE H H 1 7.992 0.003 A 9 ILE HA H 1 4.140 0.002 A 9 ILE HB H 1 1.770 0.007 A 9 ILE HD1% H 1 0.823 0.004 A 9 ILE HG1x H 1 0.876 0.008 A 9 ILE HG21 H 1 1.324 0.004 A 9 ILE HG22 H 1 1.324 0.004 A 9 ILE HG23 H 1 1.103 0.002 A 10 TYR H H 1 8.359 0.006 A 10 TYR HA H 1 4.573 0.004 A 10 TYR HBy H 1 3.138 0.019 A 10 TYR HBx H 1 2.946 0.005 A 10 TYR HDx H 1 7.094 0.006 A 11 ARG H H 1 8.137 0.002 A 11 ARG HA H 1 4.273 0.008 A 11 ARG HBy H 1 1.738 0.000 A 11 ARG HBx H 1 1.650 0.005 A 11 ARG HDx H 1 3.137 0.001 A 11 ARG HDy H 1 3.137 0.001 A 11 ARG HGx H 1 1.533 0.003 A 11 ARG HGy H 1 1.533 0.003 A 11 ARG HH1x H 1 7.135 0.000 A 12 ARG H H 1 8.329 0.005 A 12 ARG HA H 1 4.227 0.009 A 12 ARG HBy H 1 1.743 0.000 A 12 ARG HBx H 1 1.637 0.007 A 12 ARG HGx H 1 1.541 0.010 A 12 ARG HGy H 1 1.541 0.010 A 13 ARG H H 1 8.439 0.001 A 13 ARG HA H 1 4.281 0.004 A 13 ARG HBy H 1 1.821 0.012 A 13 ARG HBx H 1 1.751 0.004 A 13 ARG HDx H 1 3.188 0.006 A 13 ARG HDy H 1 3.188 0.006 A 13 ARG HGx H 1 1.632 0.002 A 13 ARG HGy H 1 1.632 0.002 A 13 ARG HH1x H 1 7.668 0.001 A 13 ARG HH1y H 1 7.668 0.001 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 6 TYR H A 6 TYR HBy 1.0 . 3.24 2 2 A 10 TYR HA A 11 ARG H 1.0 . 3.25 3 3 A 6 TYR HA A 7 ARG H 1.0 . 3.13 4 4 A 2 TRP HA A 3 PHE H 1.0 . 3.55 5 5 A 3 PHE H A 2 TRP HBy 1.0 . 3.78 6 6 A 3 PHE H A 3 PHE HBy 1.0 . 3.90 7 7 A 3 PHE HBx A 4 ARG H 1.0 . 3.38 8 8 A 4 ARG H A 3 PHE HA 1.0 . 3.31 9 9 A 3 PHE HBy A 4 ARG H 1.0 . 4.07 10 10 A 4 ARG HA A 5 VAL H 1.0 . 3.25 11 11 A 6 TYR H A 5 VAL HA 1.0 . 3.15 12 12 A 7 ARG HA A 8 GLY H 1.0 . 3.45 13 13 A 9 ILE H A 8 GLY HAx 1.0 . 2.92 14 13 A 8 GLY HAy A 9 ILE H 1.0 . 2.92 15 14 A 12 ARG HA A 13 ARG H 1.0 . 3.25 16 15 A 10 TYR HA A 8 GLY H 1.0 . 5.50 17 16 A 3 PHE H A 2 TRP H 1.0 . 4.63 18 17 A 13 ARG H A 13 ARG HBy 1.0 . 3.79 19 18 A 13 ARG H A 13 ARG HBx 1.0 . 3.79 20 19 A 13 ARG H A 13 ARG HGx 1.0 . 3.21 21 19 A 13 ARG H A 13 ARG HGy 1.0 . 3.21 22 20 A 13 ARG H A 12 ARG HGx 1.0 . 2.79 23 20 A 13 ARG H A 12 ARG HGy 1.0 . 2.79 24 21 A 7 ARG H A 7 ARG HGx 1.0 . 3.36 25 21 A 7 ARG H A 7 ARG HGy 1.0 . 3.36 26 22 A 7 ARG H A 7 ARG HBy 1.0 . 3.24 27 23 A 5 VAL HB A 12 ARG H 1.0 . 5.50 28 24 A 6 TYR H A 5 VAL HB 1.0 . 4.05 29 25 A 5 VAL H A 5 VAL HB 1.0 . 3.75 30 26 A 5 VAL H A 5 VAL HG11 1.0 . 3.86 31 27 A 11 ARG H A 11 ARG HBy 1.0 . 3.49 32 28 A 11 ARG H A 11 ARG HBx 1.0 . 4.00 33 29 A 11 ARG H A 11 ARG HGx 1.0 . 3.62 34 29 A 11 ARG H A 11 ARG HGy 1.0 . 3.62 35 30 A 11 ARG H A 5 VAL HG11 1.0 . 4.43 36 31 A 9 ILE H A 9 ILE HB 1.0 . 3.30 37 32 A 9 ILE H A 9 ILE HG21 1.0 . 3.72 38 33 A 9 ILE H A 9 ILE HG21 1.0 . 3.91 39 34 A 9 ILE HG21 A 10 TYR H 1.0 . 5.04 40 35 A 7 ARG H A 9 ILE HG21 1.0 . 5.39 41 36 A 2 TRP H A 2 TRP HBx 1.0 . 3.60 42 37 A 6 TYR HBy A 7 ARG H 1.0 . 4.11 43 38 A 6 TYR H A 7 ARG HDx 1.0 . 5.50 44 38 A 6 TYR H A 7 ARG HDy 1.0 . 5.50 45 39 A 4 ARG H A 4 ARG HGx 1.0 . 4.33 46 39 A 4 ARG H A 4 ARG HGy 1.0 . 4.33 47 40 A 5 VAL H A 4 ARG HGx 1.0 . 4.51 48 40 A 5 VAL H A 4 ARG HGy 1.0 . 4.51 49 41 A 4 ARG H A 13 ARG HDx 1.0 . 4.64 50 41 A 4 ARG H A 13 ARG HDy 1.0 . 4.64 51 42 A 3 PHE H A 2 TRP HBx 1.0 . 3.85 52 43 A 7 ARG H A 7 ARG HDx 1.0 . 3.64 53 43 A 7 ARG H A 7 ARG HDy 1.0 . 3.64 54 44 A 8 GLY H A 6 TYR HBx 1.0 . 5.31 55 45 A 13 ARG H A 13 ARG HDx 1.0 . 4.54 56 45 A 13 ARG H A 13 ARG HDy 1.0 . 4.54 57 46 A 8 GLY H A 7 ARG HDx 1.0 . 4.92 58 46 A 8 GLY H A 7 ARG HDy 1.0 . 4.92 59 47 A 7 ARG H A 6 TYR HBx 1.0 . 3.47 60 48 A 5 VAL H A 13 ARG HDx 1.0 . 4.43 61 48 A 5 VAL H A 13 ARG HDy 1.0 . 4.43 62 49 A 4 ARG H A 4 ARG HDx 1.0 . 4.26 63 49 A 4 ARG H A 4 ARG HDy 1.0 . 4.26 64 50 A 5 VAL H A 4 ARG HDx 1.0 . 5.06 65 50 A 5 VAL H A 4 ARG HDy 1.0 . 5.06 66 51 A 8 GLY H A 7 ARG HBy 1.0 . 4.46 67 52 A 12 ARG H A 5 VAL HG11 1.0 . 3.55 68 53 A 13 ARG H A 5 VAL HG11 1.0 . 4.25 69 54 A 11 ARG H A 5 VAL HG11 1.0 . 4.13 70 55 A 10 TYR H A 9 ILE HA 1.0 . 2.74 71 56 A 9 ILE HG21 A 10 TYR H 1.0 . 4.79 72 57 A 11 ARG H A 9 ILE HG21 1.0 . 4.67 73 58 A 6 TYR H A 7 ARG HA 1.0 . 5.33 74 59 A 8 GLY H A 9 ILE HA 1.0 . 5.30 75 60 A 2 TRP H A 1 LYS HBx 1.0 . 4.16 76 61 A 2 TRP H A 5 VAL HG11 1.0 . 5.50 77 62 A 6 TYR H A 5 VAL H 1.0 . 4.75 78 63 A 6 TYR H A 9 ILE H 1.0 . 4.48 79 64 A 6 TYR H A 8 GLY H 1.0 . 5.50 80 65 A 11 ARG H A 10 TYR H 1.0 . 4.61 81 66 A 8 GLY H A 10 TYR H 1.0 . 5.50 82 67 A 11 ARG H A 12 ARG H 1.0 . 4.59 83 68 A 7 ARG H A 8 GLY H 1.0 . 4.55 84 69 A 3 PHE H A 4 ARG H 1.0 . 4.80 85 70 A 8 GLY H A 9 ILE H 1.0 . 3.73 86 71 A 7 ARG HA A 9 ILE H 1.0 . 4.52 87 72 A 4 ARG H A 13 ARG HA 1.0 . 5.16 88 73 A 6 TYR H A 9 ILE HG21 1.0 . 4.57 89 74 A 6 TYR H A 5 VAL HG11 1.0 . 4.46 90 75 A 9 ILE HB A 10 TYR H 1.0 . 4.25 91 76 A 12 ARG H A 11 ARG HBx 1.0 . 2.40 92 77 A 11 ARG H A 9 ILE HG21 1.0 . 5.50 93 78 A 6 TYR H A 9 ILE HG21 1.0 . 5.50 94 79 A 2 TRP H A 1 LYS HBy 1.0 . 4.16 95 80 A 3 PHE H A 13 ARG HA 1.0 . 5.24 96 81 A 8 GLY H A 9 ILE HG21 1.0 . 5.43 97 82 A 3 PHE HBx A 2 TRP HE1 1.0 . 5.50 98 83 A 2 TRP HE1 A 11 ARG HA 1.0 . 5.50 99 84 A 13 ARG HA A 2 TRP HE1 1.0 . 5.50 100 85 A 5 VAL HA A 2 TRP HE1 1.0 . 5.37 101 86 A 2 TRP HBx A 2 TRP HE1 1.0 . 5.07 102 87 A 2 TRP HE1 A 11 ARG HDx 1.0 . 4.47 103 87 A 2 TRP HE1 A 11 ARG HDy 1.0 . 4.47 104 88 A 3 PHE HBy A 2 TRP HE1 1.0 . 5.50 105 89 A 5 VAL HB A 2 TRP HE1 1.0 . 5.50 106 90 A 11 ARG HBy A 2 TRP HE1 1.0 . 5.04 107 91 A 11 ARG HBx A 2 TRP HE1 1.0 . 4.15 108 92 A 2 TRP HE1 A 11 ARG HGx 1.0 . 4.36 109 92 A 11 ARG HGy A 2 TRP HE1 1.0 . 4.36 110 93 A 9 ILE HG21 A 2 TRP HE1 1.0 . 4.79 111 94 A 5 VAL HG11 A 2 TRP HE1 1.0 . 4.32 112 95 A 5 VAL HG11 A 2 TRP HE1 1.0 . 4.51 113 96 A 3 PHE H A 2 TRP HE1 1.0 . 5.35 114 97 A 4 ARG H A 2 TRP HE1 1.0 . 5.47 115 98 A 12 ARG H A 2 TRP HE1 1.0 . 5.50 116 99 A 6 TYR H A 2 TRP HE1 1.0 . 5.24 117 100 A 2 TRP HA A 2 TRP HD1 1.0 . 4.40 118 101 A 2 TRP HA A 2 TRP HE3 1.0 . 4.23 119 102 A 3 PHE HA A 2 TRP HE3 1.0 . 5.33 120 103 A 2 TRP HBx A 2 TRP HE3 1.0 . 4.09 121 104 A 2 TRP HE3 A 11 ARG HDx 1.0 . 4.59 122 104 A 11 ARG HDy A 2 TRP HE3 1.0 . 4.59 123 105 A 3 PHE HBy A 2 TRP HE3 1.0 . 4.95 124 106 A 2 TRP HBy A 2 TRP HE3 1.0 . 3.98 125 107 A 5 VAL HG11 A 2 TRP HZ2 1.0 . 4.50 126 108 A 9 ILE HG21 A 2 TRP HZ2 1.0 . 4.59 127 109 A 3 PHE HBx A 2 TRP HZ2 1.0 . 4.39 128 110 A 2 TRP HZ2 A 11 ARG HDx 1.0 . 4.31 129 110 A 11 ARG HDy A 2 TRP HZ2 1.0 . 4.31 130 111 A 2 TRP H A 11 ARG HDx 1.0 . 5.33 131 111 A 2 TRP H A 11 ARG HDy 1.0 . 5.33 132 112 A 3 PHE HA A 3 PHE HDx 1.0 . 4.25 133 113 A 4 ARG HA A 3 PHE HDx 1.0 . 4.60 134 114 A 3 PHE HBx A 3 PHE HDx 1.0 . 3.23 135 115 A 3 PHE HA A 2 TRP HD1 1.0 . 5.50 136 116 A 2 TRP HBx A 2 TRP HD1 1.0 . 2.89 137 117 A 9 ILE H A 10 TYR H 1.0 . 4.28 138 118 A 8 GLY H A 7 ARG HBx 1.0 . 3.83 139 119 A 5 VAL HG11 A 11 ARG HA 1.0 . 4.86 140 120 A 5 VAL HG11 A 13 ARG HA 1.0 . 5.21 141 121 A 11 ARG HA A 11 ARG HGx 1.0 . 3.61 142 121 A 11 ARG HGy A 11 ARG HA 1.0 . 3.61 143 122 A 11 ARG HBx A 11 ARG HA 1.0 . 2.70 144 123 A 7 ARG HA A 7 ARG HDx 1.0 . 3.16 145 123 A 7 ARG HA A 7 ARG HDy 1.0 . 3.16 146 124 A 11 ARG HBx A 2 TRP HD1 1.0 . 2.70 147 125 A 6 TYR HA A 5 VAL H 1.0 . 5.46 148 126 A 3 PHE HA A 3 PHE HEx 1.0 . 4.52 149 127 A 11 ARG HA A 11 ARG HH1x 1.0 . 3.62 150 128 A 11 ARG HBx A 11 ARG HH1x 1.0 . 2.70 151 129 A 11 ARG HH1x A 11 ARG HGx 1.0 . 2.91 152 129 A 11 ARG HGy A 11 ARG HH1x 1.0 . 2.91 153 130 A 9 ILE HA A 10 TYR HDx 1.0 . 4.21 154 131 A 2 TRP H A 1 LYS HBx 1.0 . 3.63 155 131 A 2 TRP H A 1 LYS HBy 1.0 . 3.63 156 132 A 2 TRP HA A 1 LYS HBx 1.0 . 4.54 157 132 A 2 TRP HA A 1 LYS HBy 1.0 . 4.54 158 133 A 2 TRP HZ2 A 9 ILE HG1x 1.0 . 5.20 159 133 A 2 TRP HZ2 A 9 ILE HG1y 1.0 . 5.20 160 134 A 4 ARG H A 4 ARG HBy 1.0 . 3.08 161 134 A 4 ARG H A 4 ARG HBx 1.0 . 3.08 162 135 A 5 VAL H A 4 ARG HBy 1.0 . 4.15 163 135 A 5 VAL H A 4 ARG HBx 1.0 . 4.15 164 136 A 10 TYR H A 10 TYR HBy 1.0 . 3.46 165 136 A 10 TYR H A 10 TYR HBx 1.0 . 3.46 166 137 A 11 ARG H A 10 TYR HBy 1.0 . 3.73 167 137 A 11 ARG H A 10 TYR HBx 1.0 . 3.73 168 138 A 12 ARG H A 12 ARG HBy 1.0 . 3.16 169 138 A 12 ARG H A 12 ARG HBx 1.0 . 3.16 170 139 A 13 ARG H A 13 ARG HBx 1.0 . 3.09 171 139 A 13 ARG H A 13 ARG HBy 1.0 . 3.09 172 140 A 13 ARG HA A 13 ARG HBx 1.0 . 2.56 173 140 A 13 ARG HA A 13 ARG HBy 1.0 . 2.56 stop_ save_