data_nef_c21000_2mmw 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 1 GLY N 1 8 GLU CD 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 GLY middle . false 3 A 3 ALA middle . . 4 A 4 GLY middle . false 5 A 5 HIS middle . . 6 A 6 VAL middle . . 7 A 7 PRO middle . false 8 A 8 GLU middle . . 9 A 9 TYR middle . . 10 A 10 PHE middle . . 11 A 11 VAL middle . . 12 A 12 ARG middle . . 13 A 13 GLY middle . false 14 A 14 ASP middle . . 15 A 15 THR middle . . 16 A 16 PRO middle . false 17 A 17 ILE middle . . 18 A 18 SER middle . . 19 A 19 PHE middle . . 20 A 20 TYR middle . . 21 A 21 GLY end . 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 GLY H1 H 1 7.874 0.002 A 1 GLY HA2 H 1 3.570 0.001 A 1 GLY HA3 H 1 4.201 0.004 A 2 GLY H H 1 9.036 0.001 A 2 GLY HA2 H 1 3.863 0.012 A 2 GLY HA3 H 1 4.225 0.006 A 3 ALA H H 1 8.514 0.002 A 3 ALA HA H 1 4.659 0.000 A 3 ALA HB% H 1 1.314 0.000 A 4 GLY H H 1 7.760 0.003 A 4 GLY HA2 H 1 3.497 0.002 A 4 GLY HA3 H 1 4.058 0.010 A 5 HIS H H 1 7.394 0.004 A 5 HIS HA H 1 4.696 0.009 A 5 HIS HB2 H 1 3.245 0.022 A 5 HIS HB3 H 1 2.920 0.000 A 5 HIS HD2 H 1 7.343 0.000 A 6 VAL H H 1 8.691 0.002 A 6 VAL HA H 1 4.691 0.001 A 6 VAL HB H 1 1.760 0.002 A 6 VAL HG1% H 1 1.101 0.002 A 6 VAL HG2% H 1 0.848 0.001 A 7 PRO HA H 1 4.278 0.002 A 7 PRO HB2 H 1 1.671 0.005 A 7 PRO HB3 H 1 1.880 0.000 A 7 PRO HD2 H 1 3.797 0.004 A 7 PRO HD3 H 1 4.124 0.002 A 7 PRO HG2 H 1 2.200 0.003 A 7 PRO HG3 H 1 1.968 0.006 A 8 GLU H H 1 8.262 0.005 A 8 GLU HA H 1 4.329 0.004 A 8 GLU HB2 H 1 1.659 0.004 A 8 GLU HB3 H 1 1.759 0.001 A 8 GLU HG2 H 1 1.860 0.004 A 8 GLU HG3 H 1 2.000 0.011 A 9 TYR H H 1 7.563 0.001 A 9 TYR HA H 1 4.481 0.003 A 9 TYR HB2 H 1 2.692 0.004 A 9 TYR HB3 H 1 2.888 0.005 A 9 TYR HD1 H 1 6.923 0.002 A 9 TYR HE1 H 1 6.613 0.000 A 10 PHE H H 1 8.049 0.007 A 10 PHE HA H 1 4.702 0.001 A 10 PHE HB2 H 1 2.957 0.019 A 10 PHE HB3 H 1 2.819 0.005 A 10 PHE HD1 H 1 7.083 0.010 A 11 VAL H H 1 8.077 0.001 A 11 VAL HA H 1 4.179 0.001 A 11 VAL HB H 1 2.036 0.005 A 11 VAL HGx% H 1 0.912 0.002 A 12 ARG H H 1 8.264 0.002 A 12 ARG HA H 1 4.175 0.005 A 12 ARG HB2 H 1 1.771 0.007 A 12 ARG HB3 H 1 1.862 0.008 A 12 ARG HDx H 1 3.223 0.016 A 12 ARG HE H 1 7.413 0.006 A 12 ARG HGx H 1 1.651 0.007 A 13 GLY H H 1 8.526 0.002 A 13 GLY HA2 H 1 3.647 0.001 A 13 GLY HA3 H 1 4.012 0.012 A 14 ASP H H 1 8.393 0.001 A 14 ASP HA H 1 4.760 0.003 A 14 ASP HB2 H 1 2.865 0.022 A 14 ASP HB3 H 1 2.817 0.002 A 15 THR H H 1 7.969 0.001 A 15 THR HA H 1 4.764 0.005 A 15 THR HB H 1 4.183 0.001 A 15 THR HG2% H 1 1.243 0.001 A 16 PRO HA H 1 4.460 0.003 A 16 PRO HB2 H 1 1.808 0.007 A 16 PRO HB3 H 1 1.998 0.001 A 16 PRO HD2 H 1 3.850 0.004 A 16 PRO HD3 H 1 3.934 0.002 A 16 PRO HG2 H 1 2.091 0.004 A 16 PRO HG3 H 1 1.990 0.004 A 17 ILE H H 1 7.863 0.005 A 17 ILE HA H 1 4.357 0.004 A 17 ILE HB H 1 1.839 0.004 A 17 ILE HD1% H 1 1.048 0.023 A 17 ILE HG1x H 1 1.413 0.006 A 17 ILE HG2% H 1 0.830 0.013 A 18 SER H H 1 7.414 0.004 A 18 SER HA H 1 4.380 0.006 A 18 SER HB2 H 1 3.976 0.026 A 18 SER HB3 H 1 3.840 0.005 A 19 PHE H H 1 8.817 0.004 A 19 PHE HA H 1 5.450 0.003 A 19 PHE HB2 H 1 2.562 0.016 A 19 PHE HB3 H 1 2.587 0.015 A 19 PHE HD1 H 1 6.871 0.001 A 20 TYR H H 1 9.494 0.002 A 20 TYR HA H 1 4.910 0.017 A 20 TYR HB2 H 1 3.027 0.007 A 20 TYR HB3 H 1 2.974 0.008 A 20 TYR HD1 H 1 6.969 0.002 A 20 TYR HE1 H 1 6.708 0.002 A 21 GLY H H 1 8.627 0.002 A 21 GLY HA3 H 1 3.853 0.002 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 GLY H1 A 2 GLY H 1.0 . 2.50 2 2 A 1 GLY H1 A 8 GLU HB2 1.0 . 3.30 3 3 A 1 GLY H1 A 8 GLU HB3 1.0 . 3.00 4 4 A 1 GLY H1 A 8 GLU HG2 1.0 . 2.80 5 5 A 1 GLY H1 A 8 GLU HG3 1.0 . 2.80 6 6 A 1 GLY H1 A 8 GLU HG3 1.0 . 2.80 7 6 A 1 GLY H1 A 8 GLU HG2 1.0 . 2.80 8 7 A 1 GLY N A 8 GLU CD 1.0 . 1.33 9 8 A 1 GLY N A 8 GLU OE1 1.0 . 2.26 10 9 A 1 GLY N A 8 GLU CG 1.0 . 2.41 11 10 A 1 GLY H1 A 8 GLU CD 1.0 . 2.06 12 11 A 8 GLU CD A 1 GLY CA 1.0 . 2.42 13 12 A 1 GLY H1 A 1 GLY CA 1.0 . 2.09 14 13 A 8 GLU OE1 A 1 GLY CA 1.0 . 2.78 15 14 A 1 GLY H1 A 8 GLU OE1 1.0 . 3.17 16 15 A 1 GLY H1 A 9 TYR HD1 1.0 . 2.50 17 16 A 1 GLY HA2 A 9 TYR HE1 1.0 . 3.30 18 17 A 1 GLY H1 A 18 SER HB2 1.0 . 3.00 19 18 A 1 GLY H1 A 18 SER HB3 1.0 . 3.50 20 19 A 2 GLY H A 3 ALA H 1.0 . 3.30 21 20 A 2 GLY H A 18 SER HB2 1.0 . 3.50 22 21 A 2 GLY H A 18 SER HB3 1.0 . 3.50 23 22 A 2 GLY H A 19 PHE H 1.0 . 2.50 24 23 A 3 ALA H A 2 GLY HA2 1.0 . 2.50 25 24 A 3 ALA H A 2 GLY HA3 1.0 . 2.50 26 25 A 3 ALA HA A 4 GLY H 1.0 . 2.30 27 26 A 3 ALA HA A 19 PHE HB2 1.0 . 3.00 28 27 A 3 ALA HA A 19 PHE HB3 1.0 . 3.00 29 28 A 3 ALA HA A 19 PHE HB3 1.0 . 3.00 30 28 A 3 ALA HA A 19 PHE HB2 1.0 . 3.00 31 29 A 3 ALA HA A 19 PHE HD% 1.0 . 4.50 32 30 A 4 GLY H A 19 PHE HB2 1.0 . 3.00 33 31 A 4 GLY H A 19 PHE HB3 1.0 . 3.00 34 32 A 4 GLY H A 19 PHE HB3 1.0 . 3.00 35 32 A 4 GLY H A 19 PHE HB2 1.0 . 3.00 36 33 A 4 GLY HA3 A 5 HIS H 1.0 . 2.50 37 34 A 5 HIS H A 4 GLY HA2 1.0 . 2.50 38 35 A 19 PHE HB2 A 4 GLY HA3 1.0 . 4.00 39 36 A 4 GLY HA3 A 19 PHE HB3 1.0 . 4.00 40 37 A 19 PHE HB2 A 4 GLY HA2 1.0 . 4.00 41 38 A 4 GLY HA2 A 19 PHE HB3 1.0 . 4.00 42 39 A 5 HIS H A 5 HIS HB2 1.0 . 3.00 43 40 A 5 HIS H A 5 HIS HB3 1.0 . 3.50 44 41 A 5 HIS HB2 A 5 HIS HA 1.0 . 3.00 45 42 A 5 HIS H A 6 VAL H 1.0 . 2.50 46 43 A 5 HIS HB2 A 6 VAL H 1.0 . 3.50 47 44 A 5 HIS HB3 A 6 VAL H 1.0 . 3.50 48 45 A 19 PHE HD% A 5 HIS HA 1.0 . 4.50 49 46 A 6 VAL H A 19 PHE HB3 1.0 . 3.50 50 46 A 19 PHE HB2 A 6 VAL H 1.0 . 3.50 51 47 A 19 PHE HD% A 6 VAL H 1.0 . 4.50 52 48 A 6 VAL H A 20 TYR H 1.0 . 2.50 53 49 A 6 VAL HA A 7 PRO HD2 1.0 . 2.30 54 50 A 6 VAL HA A 7 PRO HD3 1.0 . 2.30 55 51 A 20 TYR H A 6 VAL HB 1.0 . 3.50 56 52 A 6 VAL HB A 20 TYR HE% 1.0 . 4.50 57 53 A 20 TYR HE% A 6 VAL HG1% 1.0 . 5.50 58 53 A 20 TYR HE% A 6 VAL HG2% 1.0 . 5.50 59 54 A 7 PRO HA A 8 GLU H 1.0 . 2.30 60 55 A 7 PRO HB2 A 10 PHE HZ 1.0 . 2.80 61 56 A 10 PHE HZ A 7 PRO HG2 1.0 . 2.30 62 57 A 7 PRO HB3 A 16 PRO HB3 1.0 . 3.00 63 58 A 7 PRO HB3 A 16 PRO HG3 1.0 . 2.80 64 59 A 7 PRO HA A 19 PHE HA 1.0 . 2.50 65 60 A 19 PHE HD% A 7 PRO HA 1.0 . 4.00 66 61 A 19 PHE HD% A 7 PRO HB2 1.0 . 4.50 67 62 A 19 PHE HD% A 7 PRO HG2 1.0 . 4.50 68 63 A 19 PHE HD% A 7 PRO HD2 1.0 . 4.50 69 64 A 8 GLU H A 9 TYR H 1.0 . 2.50 70 65 A 8 GLU H A 19 PHE HA 1.0 . 2.30 71 66 A 20 TYR H A 8 GLU H 1.0 . 3.50 72 67 A 8 GLU HA A 20 TYR HD% 1.0 . 4.50 73 68 A 20 TYR HE% A 8 GLU HA 1.0 . 4.50 74 69 A 9 TYR H A 8 GLU HB2 1.0 . 3.00 75 70 A 9 TYR HD1 A 8 GLU HB2 1.0 . 2.00 76 71 A 20 TYR HD% A 8 GLU HB2 1.0 . 4.50 77 72 A 9 TYR H A 8 GLU HB3 1.0 . 3.30 78 73 A 20 TYR HD% A 8 GLU HB3 1.0 . 4.50 79 74 A 8 GLU HG2 A 19 PHE HA 1.0 . 3.50 80 75 A 8 GLU HG2 A 20 TYR HD% 1.0 . 4.50 81 76 A 20 TYR H A 8 GLU HB3 1.0 . 4.50 82 76 A 20 TYR H A 8 GLU HB2 1.0 . 4.50 83 77 A 19 PHE HA A 8 GLU HG3 1.0 . 3.50 84 78 A 20 TYR HD% A 8 GLU HG3 1.0 . 4.50 85 79 A 9 TYR H A 8 GLU HG3 1.0 . 4.00 86 79 A 8 GLU HG2 A 9 TYR H 1.0 . 4.00 87 80 A 19 PHE HA A 8 GLU HG3 1.0 . 3.50 88 80 A 8 GLU HG2 A 19 PHE HA 1.0 . 3.50 89 81 A 20 TYR HD% A 8 GLU HG3 1.0 . 4.50 90 81 A 8 GLU HG2 A 20 TYR HD% 1.0 . 4.50 91 82 A 9 TYR HA A 10 PHE H 1.0 . 2.30 92 83 A 10 PHE H A 9 TYR HB2 1.0 . 3.00 93 84 A 10 PHE H A 9 TYR HB3 1.0 . 3.50 94 85 A 10 PHE HA A 11 VAL H 1.0 . 2.30 95 86 A 11 VAL H A 10 PHE HB2 1.0 . 2.80 96 87 A 11 VAL H A 10 PHE HB3 1.0 . 3.30 97 88 A 10 PHE HA A 16 PRO HA 1.0 . 2.00 98 89 A 10 PHE HDy A 16 PRO HD3 1.0 . 2.50 99 90 A 16 PRO HB3 A 10 PHE HEx 1.0 . 4.30 100 91 A 16 PRO HB3 A 10 PHE HEy 1.0 . 3.50 101 92 A 16 PRO HG3 A 10 PHE HEy 1.0 . 3.00 102 93 A 10 PHE HA A 17 ILE H 1.0 . 3.50 103 94 A 11 VAL H A 12 ARG H 1.0 . 4.50 104 95 A 12 ARG H A 11 VAL HA 1.0 . 2.50 105 96 A 12 ARG H A 11 VAL HB 1.0 . 2.80 106 97 A 12 ARG H A 11 VAL HGx% 1.0 . 5.00 107 97 A 12 ARG H A 11 VAL HG21 1.0 . 5.00 108 98 A 12 ARG H A 13 GLY H 1.0 . 3.50 109 99 A 12 ARG H A 15 THR H 1.0 . 5.50 110 100 A 13 GLY H A 12 ARG HA 1.0 . 2.50 111 101 A 13 GLY H A 14 ASP H 1.0 . 2.80 112 102 A 14 ASP H A 13 GLY HA3 1.0 . 2.30 113 103 A 15 THR H A 14 ASP H 1.0 . 2.50 114 104 A 16 PRO HD3 A 15 THR HA 1.0 . 2.30 115 105 A 15 THR HA A 16 PRO HD2 1.0 . 2.30 116 106 A 16 PRO HA A 17 ILE H 1.0 . 2.00 117 107 A 16 PRO HB2 A 19 PHE HE% 1.0 . 4.50 118 108 A 16 PRO HB3 A 17 ILE H 1.0 . 3.00 119 109 A 16 PRO HB3 A 19 PHE HE% 1.0 . 4.50 120 110 A 19 PHE HE% A 16 PRO HG2 1.0 . 4.50 121 111 A 16 PRO HG3 A 19 PHE HE% 1.0 . 4.30 122 112 A 17 ILE H A 18 SER H 1.0 . 2.30 123 113 A 18 SER H A 17 ILE HA 1.0 . 2.30 124 114 A 18 SER H A 17 ILE HG2% 1.0 . 4.00 125 115 A 19 PHE HE% A 17 ILE HG2% 1.0 . 5.00 126 116 A 18 SER H A 17 ILE HG1x 1.0 . 4.00 127 116 A 18 SER H A 17 ILE HG1y 1.0 . 4.00 128 117 A 19 PHE H A 18 SER HA 1.0 . 2.50 129 118 A 19 PHE HD% A 18 SER HA 1.0 . 4.00 130 119 A 18 SER HB2 A 19 PHE H 1.0 . 2.30 131 120 A 18 SER HB2 A 19 PHE HD% 1.0 . 4.50 132 121 A 18 SER HB3 A 19 PHE H 1.0 . 2.80 133 122 A 20 TYR H A 19 PHE HA 1.0 . 2.30 134 123 A 19 PHE HB2 A 20 TYR H 1.0 . 2.50 135 124 A 20 TYR H A 19 PHE HB3 1.0 . 2.50 136 125 A 20 TYR HA A 21 GLY H 1.0 . 2.30 137 126 A 21 GLY H A 20 TYR HB2 1.0 . 2.50 138 127 A 21 GLY H A 20 TYR HB3 1.0 . 2.50 139 128 A 20 TYR HD% A 21 GLY H 1.0 . 4.50 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 1 . 1H 7211.539 stop_ save_