data_nef_c19190_2m7i 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 3 LEU C 1 4 DAB N 1 4 DAB C 1 5 ORN N 1 5 ORN C 1 6 DLY N 1 6 DLY C 1 7 ARG N 1 8 TRP C 1 9 ORN N 1 9 ORN C 1 10 DAB N 1 10 DAB C 1 11 ALA N 1 12 LYS C 1 13 DPR N 1 13 DPR C 1 14 PRO N 1 14 PRO C 1 1 THR 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 THR cyclic . . 2 A 2 TRP middle . . 3 A 3 LEU middle . . 4 A 4 DAB middle . . 5 A 5 ORN middle . . 6 A 6 DLY middle . . 7 A 7 ARG middle . . 8 A 8 TRP middle . . 9 A 9 ORN middle . . 10 A 10 DAB middle . . 11 A 11 ALA middle . . 12 A 12 LYS middle . . 13 A 13 DPR middle . . 14 A 14 PRO cyclic . false 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 THR H1 H 1 7.723 0.000 A 1 THR HA H 1 4.421 0.000 A 1 THR HB H 1 4.162 0.000 A 1 THR HG2% H 1 1.183 0.000 A 1 THR CA C 13 61.690 0.000 A 1 THR CB C 13 70.540 0.000 A 2 TRP H H 1 8.537 0.000 A 2 TRP HA H 1 4.751 0.000 A 2 TRP HBx H 1 3.036 0.000 A 2 TRP HBy H 1 3.036 0.000 A 2 TRP HD1 H 1 7.222 0.002 A 2 TRP HE1 H 1 10.157 0.002 A 2 TRP HE3 H 1 7.304 0.001 A 2 TRP HH2 H 1 7.229 0.000 A 2 TRP HZ2 H 1 7.492 0.002 A 2 TRP HZ3 H 1 7.005 0.000 A 2 TRP CA C 13 57.320 0.000 A 2 TRP CB C 13 30.760 0.000 A 3 LEU H H 1 8.646 0.000 A 3 LEU HA H 1 4.552 0.000 A 3 LEU HBx H 1 1.643 0.000 A 3 LEU HBy H 1 1.643 0.000 A 3 LEU HDx% H 1 0.889 0.000 A 3 LEU HDy% H 1 0.905 0.000 A 3 LEU HG H 1 1.526 0.000 A 3 LEU CA C 13 54.660 0.000 A 3 LEU CB C 13 43.410 0.000 A 4 DAB H H 1 8.629 0.000 A 4 DAB HA H 1 4.794 0.000 A 4 DAB HBx H 1 2.043 0.000 A 4 DAB HBy H 1 2.126 0.001 A 4 DAB HG2 H 1 2.825 0.000 A 4 DAB HG3 H 1 2.937 0.000 A 4 DAB CA C 13 53.670 0.000 A 4 DAB CB C 13 32.850 0.000 A 5 ORN H H 1 8.392 0.001 A 5 ORN HA H 1 4.479 0.000 A 5 ORN HBx H 1 1.785 0.004 A 5 ORN HBy H 1 1.890 0.000 A 5 ORN HG2 H 1 1.643 0.000 A 5 ORN HG3 H 1 1.711 0.000 A 5 ORN CA C 13 55.790 0.000 A 5 ORN CB C 13 31.730 0.000 A 5 ORN CD C 13 2.950 0.000 A 6 DLY H H 1 8.862 0.000 A 6 DLY HA H 1 4.256 0.002 A 6 DLY HG2 H 1 1.354 0.001 A 6 DLY HG3 H 1 1.481 0.001 A 6 DLY CA C 13 57.880 0.000 A 6 DLY CB C 13 32.430 0.000 A 6 DLY CD C 13 1.689 0.001 A 7 ARG H H 1 8.801 0.000 A 7 ARG HA H 1 4.203 0.000 A 7 ARG HBx H 1 1.575 0.002 A 7 ARG HBy H 1 1.699 0.002 A 7 ARG HD2 H 1 3.043 0.000 A 7 ARG HD3 H 1 3.043 0.000 A 7 ARG HE H 1 7.055 0.000 A 7 ARG HG2 H 1 1.295 0.002 A 7 ARG HG3 H 1 1.352 0.002 A 7 ARG CA C 13 56.710 0.000 A 7 ARG CB C 13 30.320 0.000 A 8 TRP H H 1 8.163 0.001 A 8 TRP HA H 1 4.726 0.000 A 8 TRP HBx H 1 3.266 0.002 A 8 TRP HBy H 1 3.447 0.000 A 8 TRP HD1 H 1 7.329 0.000 A 8 TRP HE1 H 1 10.132 0.001 A 8 TRP HE3 H 1 7.543 0.001 A 8 TRP HH2 H 1 7.197 0.000 A 8 TRP HZ2 H 1 7.479 0.000 A 8 TRP HZ3 H 1 7.027 0.000 A 8 TRP CA C 13 57.350 0.000 A 8 TRP CB C 13 30.110 0.000 A 9 ORN H H 1 8.220 0.000 A 9 ORN HA H 1 4.892 0.000 A 9 ORN HBx H 1 1.698 0.000 A 9 ORN HBy H 1 1.808 0.001 A 9 ORN HD2 H 1 2.559 0.000 A 9 ORN HD3 H 1 2.702 0.000 A 9 ORN HG2 H 1 1.582 0.008 A 9 ORN HG3 H 1 1.608 0.010 A 9 ORN CA C 13 55.320 0.000 A 9 ORN CB C 13 32.430 0.000 A 10 DAB H H 1 8.468 0.000 A 10 DAB HA H 1 4.450 0.000 A 10 DAB HBx H 1 1.834 0.001 A 10 DAB HBy H 1 2.018 0.007 A 10 DAB HG2 H 1 2.818 0.000 A 10 DAB HG3 H 1 2.973 0.000 A 10 DAB CA C 13 53.580 0.000 A 10 DAB CB C 13 33.700 0.000 A 11 ALA H H 1 8.567 0.000 A 11 ALA HA H 1 3.978 0.000 A 11 ALA HB% H 1 0.891 0.002 A 11 ALA CA C 13 52.700 0.000 A 11 ALA CB C 13 19.340 0.000 A 12 LYS H H 1 8.220 0.000 A 12 LYS HA H 1 4.607 0.000 A 12 LYS HBx H 1 1.476 0.002 A 12 LYS HBy H 1 1.698 0.002 A 12 LYS HD2 H 1 1.626 0.000 A 12 LYS HD3 H 1 1.626 0.000 A 12 LYS HG2 H 1 1.252 0.000 A 12 LYS HG3 H 1 1.350 0.001 A 12 LYS CA C 13 53.630 0.000 A 12 LYS CB C 13 33.420 0.000 A 13 DPR HA H 1 4.688 0.002 A 13 DPR HBx H 1 1.849 0.000 A 13 DPR HBy H 1 2.252 0.001 A 13 DPR HD2 H 1 3.389 0.000 A 13 DPR HD3 H 1 3.683 0.001 A 13 DPR HG2 H 1 1.948 0.000 A 13 DPR HG3 H 1 2.039 0.000 A 13 DPR CA C 13 61.740 0.000 A 13 DPR CB C 13 30.670 0.000 A 14 PRO HA H 1 4.437 0.000 A 14 PRO HBx H 1 2.026 0.000 A 14 PRO HBy H 1 2.130 0.000 A 14 PRO HD2 H 1 3.662 0.003 A 14 PRO HD3 H 1 3.916 0.000 A 14 PRO HG2 H 1 1.900 0.000 A 14 PRO HG3 H 1 2.026 0.000 A 14 PRO CA C 13 63.830 0.000 A 14 PRO CB C 13 32.270 0.000 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 1 THR H1 A 1 THR HB 1.0 . 2.83 2 2 A 1 THR H1 A 1 THR HG2% 1.0 . 4.79 3 3 A 1 THR HB A 1 THR HA 1.0 . 3.00 4 4 A 1 THR HG2% A 1 THR HA 1.0 . 3.77 5 5 A 2 TRP H A 2 TRP HD1 1.0 . 4.48 6 6 A 3 LEU H A 3 LEU HG 1.0 . 3.92 7 7 A 3 LEU H A 3 LEU HDx% 1.0 . 5.88 8 8 A 3 LEU H A 3 LEU HDy% 1.0 . 5.88 9 9 A 3 LEU H A 3 LEU HDy% 1.0 . 5.57 10 9 A 3 LEU H A 3 LEU HDx% 1.0 . 5.57 11 10 A 3 LEU HDx% A 3 LEU HA 1.0 . 6.40 12 11 A 3 LEU HA A 3 LEU HDy% 1.0 . 6.40 13 12 A 7 ARG H A 7 ARG HBx 1.0 . 2.96 14 13 A 7 ARG H A 7 ARG HBy 1.0 . 3.45 15 14 A 7 ARG H A 7 ARG HG2 1.0 . 4.26 16 15 A 7 ARG H A 7 ARG HG3 1.0 . 3.73 17 16 A 7 ARG HBx A 7 ARG HA 1.0 . 3.00 18 17 A 7 ARG HBy A 7 ARG HA 1.0 . 3.00 19 18 A 7 ARG HG2 A 7 ARG HA 1.0 . 3.89 20 19 A 7 ARG HG3 A 7 ARG HA 1.0 . 3.50 21 20 A 8 TRP H A 8 TRP HBx 1.0 . 2.83 22 21 A 8 TRP H A 8 TRP HBy 1.0 . 2.90 23 22 A 8 TRP H A 8 TRP HD1 1.0 . 5.04 24 23 A 8 TRP HBx A 8 TRP HD1 1.0 . 2.80 25 24 A 8 TRP HBy A 8 TRP HE3 1.0 . 2.90 26 25 A 12 LYS H A 12 LYS HBx 1.0 . 3.42 27 26 A 12 LYS H A 12 LYS HBy 1.0 . 3.42 28 27 A 12 LYS H A 12 LYS HG3 1.0 . 5.45 29 27 A 12 LYS H A 12 LYS HG2 1.0 . 5.45 30 28 A 12 LYS HG2 A 12 LYS HA 1.0 . 4.07 31 29 A 12 LYS HA A 12 LYS HG3 1.0 . 4.07 32 30 A 12 LYS HA A 12 LYS HG3 1.0 . 3.70 33 30 A 12 LYS HG2 A 12 LYS HA 1.0 . 3.70 34 31 A 1 THR H1 A 2 TRP H 1.0 . 4.40 35 32 A 1 THR H1 A 14 PRO HA 1.0 . 3.10 36 33 A 1 THR H1 A 14 PRO HBx 1.0 . 4.85 37 34 A 1 THR H1 A 14 PRO HBy 1.0 . 4.85 38 35 A 1 THR H1 A 14 PRO HBy 1.0 . 4.63 39 35 A 1 THR H1 A 14 PRO HBx 1.0 . 4.63 40 36 A 1 THR H1 A 14 PRO HG2 1.0 . 4.87 41 36 A 1 THR H1 A 14 PRO HG3 1.0 . 4.87 42 37 A 1 THR H1 A 14 PRO HD3 1.0 . 4.62 43 37 A 1 THR H1 A 14 PRO HD2 1.0 . 4.62 44 38 A 1 THR HA A 2 TRP H 1.0 . 2.65 45 39 A 1 THR HA A 2 TRP HD1 1.0 . 3.89 46 40 A 1 THR HB A 2 TRP H 1.0 . 2.96 47 41 A 1 THR HG2% A 2 TRP H 1.0 . 5.66 48 42 A 1 THR HG2% A 14 PRO HBy 1.0 . 7.41 49 42 A 1 THR HG2% A 14 PRO HBx 1.0 . 7.41 50 43 A 1 THR HG2% A 14 PRO HG2 1.0 . 6.49 51 43 A 1 THR HG2% A 14 PRO HG3 1.0 . 6.49 52 44 A 1 THR HG2% A 14 PRO HD3 1.0 . 6.36 53 44 A 1 THR HG2% A 14 PRO HD2 1.0 . 6.36 54 45 A 3 LEU H A 2 TRP HBx 1.0 . 5.17 55 45 A 3 LEU H A 2 TRP HBy 1.0 . 5.17 56 46 A 7 ARG H A 8 TRP H 1.0 . 3.42 57 47 A 7 ARG HA A 8 TRP H 1.0 . 3.00 58 48 A 7 ARG HBx A 8 TRP H 1.0 . 4.07 59 49 A 7 ARG HBy A 8 TRP H 1.0 . 4.04 60 50 A 7 ARG HG2 A 8 TRP H 1.0 . 5.25 61 51 A 7 ARG HG3 A 8 TRP H 1.0 . 5.44 62 52 A 12 LYS H A 11 ALA HA 1.0 . 2.46 63 53 A 12 LYS HA A 13 DPR HD3 1.0 . 2.93 64 54 A 12 LYS HA A 13 DPR HD2 1.0 . 2.93 65 55 A 14 PRO HD2 A 13 DPR HA 1.0 . 2.90 66 56 A 13 DPR HA A 14 PRO HD3 1.0 . 2.90 67 57 A 13 DPR HA A 14 PRO HD3 1.0 . 2.51 68 57 A 14 PRO HD2 A 13 DPR HA 1.0 . 2.51 69 58 A 1 THR H1 A 12 LYS H 1.0 . 3.52 70 59 A 1 THR HB A 12 LYS HBy 1.0 . 5.02 71 59 A 1 THR HB A 12 LYS HBx 1.0 . 5.02 72 60 A 11 ALA HA A 2 TRP HBx 1.0 . 6.38 73 60 A 2 TRP HBy A 11 ALA HA 1.0 . 6.38 74 61 A 2 TRP HD1 A 11 ALA HB% 1.0 . 4.95 75 62 A 2 TRP HE3 A 9 ORN HBx 1.0 . 4.04 76 63 A 2 TRP HE3 A 9 ORN HBy 1.0 . 4.04 77 64 A 2 TRP HE3 A 9 ORN HG2 1.0 . 4.20 78 65 A 2 TRP HE3 A 9 ORN HG3 1.0 . 4.20 79 66 A 11 ALA HA A 2 TRP HE3 1.0 . 3.67 80 67 A 11 ALA HB% A 2 TRP HE3 1.0 . 5.91 81 68 A 11 ALA HB% A 2 TRP HE1 1.0 . 6.53 82 69 A 9 ORN HBx A 2 TRP HZ3 1.0 . 4.35 83 70 A 9 ORN HBy A 2 TRP HZ3 1.0 . 4.35 84 71 A 9 ORN HG2 A 2 TRP HZ3 1.0 . 4.32 85 72 A 9 ORN HG3 A 2 TRP HZ3 1.0 . 4.32 86 73 A 11 ALA HB% A 2 TRP HZ3 1.0 . 5.10 87 74 A 11 ALA HB% A 2 TRP HZ2 1.0 . 6.06 88 75 A 3 LEU H A 11 ALA HA 1.0 . 3.36 89 76 A 8 TRP HZ3 A 3 LEU HBx 1.0 . 4.80 90 76 A 3 LEU HBy A 8 TRP HZ3 1.0 . 4.80 91 77 A 8 TRP HH2 A 3 LEU HBx 1.0 . 6.35 92 77 A 3 LEU HBy A 8 TRP HH2 1.0 . 6.35 93 78 A 8 TRP HZ3 A 3 LEU HDy% 1.0 . 7.54 94 78 A 3 LEU HDx% A 8 TRP HZ3 1.0 . 7.54 95 79 A 8 TRP HH2 A 3 LEU HDy% 1.0 . 6.76 96 79 A 3 LEU HDx% A 8 TRP HH2 1.0 . 6.76 97 80 A 5 ORN HBx A 8 TRP HE3 1.0 . 3.83 98 81 A 5 ORN HBy A 8 TRP HE3 1.0 . 3.83 99 82 A 13 DPR HD3 A 11 ALA HB% 1.0 . 6.53 100 83 A 13 DPR HD2 A 11 ALA HB% 1.0 . 6.53 stop_ save_