data_nef_c19797_2mkv 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 2JO1 PDB 2JP3 PDB 2MKV stop_ 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 LEU start . . 2 A 2 ASP middle . . 3 A 3 ARG middle . . 4 A 4 TRP middle . . 5 A 5 TYR middle . . 6 A 6 LEU middle . . 7 A 7 GLY middle . false 8 A 8 GLY middle . false 9 A 9 SER middle . . 10 A 10 PRO middle . false 11 A 11 LYS middle . . 12 A 12 GLY middle . false 13 A 13 ASP middle . . 14 A 14 VAL middle . . 15 A 15 ASP middle . . 16 A 16 PRO middle . false 17 A 17 PHE middle . . 18 A 18 TYR middle . . 19 A 19 TYR middle . . 20 A 20 ASP middle . . 21 A 21 TYR middle . . 22 A 22 GLU middle . . 23 A 23 THR middle . . 24 A 24 VAL middle . . 25 A 25 ARG middle . . 26 A 26 ASN middle . . 27 A 27 GLY middle . false 28 A 28 GLY middle . false 29 A 29 LEU middle . . 30 A 30 ILE middle . . 31 A 31 PHE middle . . 32 A 32 ALA middle . . 33 A 33 GLY middle . false 34 A 34 LEU middle . . 35 A 35 ALA middle . . 36 A 36 PHE middle . . 37 A 37 ILE middle . . 38 A 38 VAL middle . . 39 A 39 GLY middle . false 40 A 40 LEU middle . . 41 A 41 LEU middle . . 42 A 42 ILE middle . . 43 A 43 LEU middle . . 44 A 44 LEU middle . . 45 A 45 SER middle . . 46 A 46 ARG middle . . 47 A 47 ARG middle . . 48 A 48 PHE middle . . 49 A 49 ARG middle . . 50 A 50 SER middle . . 51 A 51 GLY middle . false 52 A 52 GLY middle . false 53 A 53 ASN middle . . 54 A 54 LYS middle . . 55 A 55 LYS middle . . 56 A 56 ARG middle . . 57 A 57 ARG middle . . 58 A 58 GLN middle . . 59 A 59 ILE middle . . 60 A 60 ASN middle . . 61 A 61 GLU middle . . 62 A 62 ASP middle . . 63 A 63 GLU middle . . 64 A 64 PRO 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 LEU HA H 1 4.15 . A 1 LEU HBx H 1 1.86 . A 1 LEU HBy H 1 1.86 . A 1 LEU C C 13 172.89 . A 1 LEU CA C 13 55.04 . A 1 LEU CB C 13 42.56 . A 2 ASP H H 1 8.56 . A 2 ASP HA H 1 4.62 . A 2 ASP HBx H 1 2.76 . A 2 ASP HBy H 1 2.76 . A 2 ASP C C 13 175.13 . A 2 ASP CA C 13 54.13 . A 2 ASP CB C 13 40.57 . A 2 ASP N N 15 123.32 . A 3 ARG H H 1 7.90 . A 3 ARG HA H 1 4.17 . A 3 ARG HBx H 1 1.52 . A 3 ARG HBy H 1 1.52 . A 3 ARG C C 13 175.60 . A 3 ARG CA C 13 56.35 . A 3 ARG CB C 13 30.82 . A 3 ARG N N 15 118.43 . A 4 TRP H H 1 7.64 . A 4 TRP HA H 1 4.66 . A 4 TRP HBx H 1 3.27 . A 4 TRP HBy H 1 3.27 . A 4 TRP C C 13 175.58 . A 4 TRP CA C 13 57.94 . A 4 TRP CB C 13 30.07 . A 4 TRP N N 15 119.87 . A 5 TYR H H 1 7.60 . A 5 TYR HA H 1 4.50 . A 5 TYR HBx H 1 2.90 . A 5 TYR HBy H 1 2.90 . A 5 TYR C C 13 175.53 . A 5 TYR CA C 13 58.09 . A 5 TYR CB C 13 38.71 . A 5 TYR N N 15 119.36 . A 6 LEU H H 1 7.81 . A 6 LEU HA H 1 4.29 . A 6 LEU HBx H 1 1.68 . A 6 LEU HBy H 1 1.68 . A 6 LEU C C 13 177.55 . A 6 LEU CA C 13 55.45 . A 6 LEU CB C 13 42.20 . A 6 LEU N N 15 121.77 . A 7 GLY H H 1 7.78 . A 7 GLY HAx H 1 3.99 . A 7 GLY HAy H 1 3.99 . A 7 GLY C C 13 174.78 . A 7 GLY CA C 13 45.76 . A 7 GLY N N 15 107.61 . A 8 GLY H H 1 7.98 . A 8 GLY HAx H 1 4.04 . A 8 GLY HAy H 1 4.04 . A 8 GLY C C 13 173.83 . A 8 GLY CA C 13 45.27 . A 8 GLY N N 15 108.05 . A 9 SER H H 1 8.06 . A 9 SER HA H 1 4.79 . A 9 SER HBx H 1 3.92 . A 9 SER HBy H 1 3.92 . A 9 SER CA C 13 56.45 . A 9 SER CB C 13 63.84 . A 9 SER N N 15 115.71 . A 10 PRO HA H 1 4.48 . A 10 PRO HBx H 1 2.31 . A 10 PRO HBy H 1 2.31 . A 10 PRO C C 13 177.07 . A 10 PRO CA C 13 63.64 . A 10 PRO CB C 13 32.14 . A 11 LYS H H 1 8.19 . A 11 LYS HA H 1 4.34 . A 11 LYS HBx H 1 1.84 . A 11 LYS HBy H 1 1.84 . A 11 LYS C C 13 177.17 . A 11 LYS CA C 13 56.77 . A 11 LYS CB C 13 33.04 . A 11 LYS N N 15 120.27 . A 12 GLY H H 1 8.17 . A 12 GLY HAx H 1 4.02 . A 12 GLY HAy H 1 4.02 . A 12 GLY C C 13 174.03 . A 12 GLY CA C 13 45.68 . A 12 GLY N N 15 108.68 . A 13 ASP H H 1 8.20 . A 13 ASP HA H 1 4.74 . A 13 ASP HBx H 1 2.77 . A 13 ASP HBy H 1 2.77 . A 13 ASP C C 13 175.54 . A 13 ASP CA C 13 53.86 . A 13 ASP CB C 13 40.06 . A 13 ASP N N 15 119.80 . A 14 VAL H H 1 7.83 . A 14 VAL HA H 1 4.21 . A 14 VAL HB H 1 2.16 . A 14 VAL C C 13 175.29 . A 14 VAL CA C 13 62.05 . A 14 VAL CB C 13 33.13 . A 14 VAL N N 15 118.29 . A 15 ASP H H 1 8.24 . A 15 ASP HA H 1 4.92 . A 15 ASP HBx H 1 2.72 . A 15 ASP HBy H 1 2.72 . A 15 ASP CA C 13 52.03 . A 15 ASP N N 15 123.26 . A 16 PRO HA H 1 4.44 . A 16 PRO HBx H 1 2.18 . A 16 PRO HBy H 1 2.18 . A 16 PRO C C 13 177.16 . A 16 PRO CA C 13 63.74 . A 16 PRO CB C 13 32.10 . A 17 PHE H H 1 8.04 . A 17 PHE HA H 1 4.55 . A 17 PHE HBx H 1 3.19 . A 17 PHE HBy H 1 3.19 . A 17 PHE C C 13 175.80 . A 17 PHE CA C 13 58.58 . A 17 PHE CB C 13 38.97 . A 17 PHE N N 15 118.36 . A 18 TYR H H 1 7.25 . A 18 TYR HA H 1 4.35 . A 18 TYR HBx H 1 3.30 . A 18 TYR HBy H 1 3.30 . A 18 TYR C C 13 174.86 . A 18 TYR CA C 13 58.34 . A 18 TYR CB C 13 38.50 . A 18 TYR N N 15 118.16 . A 19 TYR H H 1 7.42 . A 19 TYR HA H 1 4.44 . A 19 TYR HBx H 1 2.94 . A 19 TYR HBy H 1 2.94 . A 19 TYR C C 13 176.55 . A 19 TYR CA C 13 58.70 . A 19 TYR CB C 13 38.58 . A 19 TYR N N 15 120.03 . A 20 ASP H H 1 7.95 . A 20 ASP HA H 1 4.65 . A 20 ASP HBx H 1 2.75 . A 20 ASP HBy H 1 2.75 . A 20 ASP C C 13 175.29 . A 20 ASP CA C 13 53.90 . A 20 ASP CB C 13 39.17 . A 20 ASP N N 15 119.72 . A 21 TYR H H 1 7.86 . A 21 TYR HA H 1 4.46 . A 21 TYR HBx H 1 3.09 . A 21 TYR HBy H 1 3.09 . A 21 TYR C C 13 175.87 . A 21 TYR CA C 13 59.13 . A 21 TYR CB C 13 40.11 . A 21 TYR N N 15 120.49 . A 22 GLU H H 1 8.06 . A 22 GLU HA H 1 3.98 . A 22 GLU HBx H 1 2.11 . A 22 GLU HBy H 1 2.11 . A 22 GLU C C 13 176.53 . A 22 GLU CA C 13 57.24 . A 22 GLU CB C 13 30.94 . A 22 GLU N N 15 119.82 . A 23 THR H H 1 7.88 . A 23 THR HA H 1 4.35 . A 23 THR C C 13 175.29 . A 23 THR CA C 13 63.22 . A 23 THR CB C 13 69.06 . A 23 THR N N 15 113.57 . A 24 VAL H H 1 7.84 . A 24 VAL HA H 1 4.07 . A 24 VAL HB H 1 2.23 . A 24 VAL C C 13 176.43 . A 24 VAL CA C 13 63.87 . A 24 VAL CB C 13 32.11 . A 24 VAL N N 15 120.18 . A 25 ARG H H 1 8.07 . A 25 ARG HA H 1 4.34 . A 25 ARG HBx H 1 1.85 . A 25 ARG HBy H 1 1.85 . A 25 ARG C C 13 176.49 . A 25 ARG CA C 13 57.39 . A 25 ARG CB C 13 30.46 . A 25 ARG N N 15 120.98 . A 26 ASN H H 1 8.18 . A 26 ASN HA H 1 4.12 . A 26 ASN HBx H 1 2.93 . A 26 ASN HBy H 1 2.93 . A 26 ASN C C 13 176.18 . A 26 ASN CA C 13 54.04 . A 26 ASN CB C 13 38.72 . A 26 ASN N N 15 117.95 . A 27 GLY H H 1 8.34 . A 27 GLY HAx H 1 3.92 . A 27 GLY HAy H 1 3.92 . A 27 GLY C C 13 174.84 . A 27 GLY CA C 13 47.02 . A 27 GLY N N 15 108.19 . A 28 GLY H H 1 8.39 . A 28 GLY HAx H 1 3.98 . A 28 GLY HAy H 1 3.98 . A 28 GLY C C 13 175.03 . A 28 GLY CA C 13 47.33 . A 28 GLY N N 15 107.97 . A 29 LEU H H 1 7.96 . A 29 LEU HA H 1 4.16 . A 29 LEU HBx H 1 1.66 . A 29 LEU HBy H 1 1.66 . A 29 LEU C C 13 178.42 . A 29 LEU CA C 13 57.89 . A 29 LEU CB C 13 41.61 . A 29 LEU N N 15 120.29 . A 30 ILE H H 1 7.82 . A 30 ILE HA H 1 3.77 . A 30 ILE HB H 1 2.04 . A 30 ILE C C 13 177.22 . A 30 ILE CA C 13 65.04 . A 30 ILE CB C 13 37.17 . A 30 ILE N N 15 117.62 . A 31 PHE H H 1 8.00 . A 31 PHE HA H 1 4.27 . A 31 PHE HBx H 1 3.21 . A 31 PHE HBy H 1 3.21 . A 31 PHE C C 13 176.77 . A 31 PHE CA C 13 61.43 . A 31 PHE CB C 13 38.93 . A 31 PHE N N 15 118.21 . A 32 ALA H H 1 8.30 . A 32 ALA HA H 1 3.96 . A 32 ALA HB% H 1 1.54 . A 32 ALA C C 13 178.78 . A 32 ALA CA C 13 55.46 . A 32 ALA CB C 13 18.34 . A 32 ALA N N 15 119.92 . A 33 GLY H H 1 8.46 . A 33 GLY HAx H 1 3.63 . A 33 GLY HAy H 1 3.63 . A 33 GLY C C 13 174.77 . A 33 GLY CA C 13 47.59 . A 33 GLY N N 15 103.76 . A 34 LEU H H 1 8.38 . A 34 LEU HA H 1 4.11 . A 34 LEU HBx H 1 1.83 . A 34 LEU HBy H 1 1.83 . A 34 LEU C C 13 177.97 . A 34 LEU CA C 13 57.82 . A 34 LEU CB C 13 42.12 . A 34 LEU N N 15 120.97 . A 35 ALA H H 1 8.45 . A 35 ALA HA H 1 3.83 . A 35 ALA HB% H 1 1.33 . A 35 ALA C C 13 178.71 . A 35 ALA CA C 13 55.58 . A 35 ALA CB C 13 17.62 . A 35 ALA N N 15 120.35 . A 36 PHE H H 1 8.28 . A 36 PHE HA H 1 4.17 . A 36 PHE HBx H 1 3.36 . A 36 PHE HBy H 1 3.36 . A 36 PHE C C 13 174.17 . A 36 PHE CA C 13 61.47 . A 36 PHE CB C 13 39.49 . A 36 PHE N N 15 116.68 . A 37 ILE H H 1 8.18 . A 37 ILE HA H 1 3.60 . A 37 ILE HB H 1 2.17 . A 37 ILE C C 13 177.47 . A 37 ILE CA C 13 64.91 . A 37 ILE N N 15 117.95 . A 38 VAL H H 1 8.59 . A 38 VAL HA H 1 3.51 . A 38 VAL C C 13 177.87 . A 38 VAL CA C 13 67.65 . A 38 VAL N N 15 119.23 . A 39 GLY H H 1 8.70 . A 39 GLY HAx H 1 3.61 . A 39 GLY HAy H 1 3.61 . A 39 GLY C C 13 174.73 . A 39 GLY CA C 13 48.11 . A 39 GLY N N 15 106.73 . A 40 LEU H H 1 8.46 . A 40 LEU HA H 1 4.00 . A 40 LEU HBx H 1 1.61 . A 40 LEU HBy H 1 1.61 . A 40 LEU C C 13 178.72 . A 40 LEU CA C 13 58.41 . A 40 LEU CB C 13 41.32 . A 40 LEU N N 15 121.45 . A 41 LEU H H 1 8.40 . A 41 LEU HA H 1 4.07 . A 41 LEU HBx H 1 2.07 . A 41 LEU HBy H 1 2.07 . A 41 LEU C C 13 180.01 . A 41 LEU CA C 13 58.53 . A 41 LEU CB C 13 41.34 . A 41 LEU N N 15 118.70 . A 42 ILE H H 1 8.63 . A 42 ILE HA H 1 3.64 . A 42 ILE C C 13 178.57 . A 42 ILE CA C 13 66.12 . A 42 ILE N N 15 120.89 . A 43 LEU H H 1 8.44 . A 43 LEU HA H 1 3.98 . A 43 LEU HBx H 1 1.65 . A 43 LEU HBy H 1 1.65 . A 43 LEU C C 13 179.71 . A 43 LEU CA C 13 58.68 . A 43 LEU CB C 13 42.23 . A 43 LEU N N 15 121.16 . A 44 LEU H H 1 9.01 . A 44 LEU HA H 1 4.11 . A 44 LEU HBx H 1 1.60 . A 44 LEU HBy H 1 1.60 . A 44 LEU C C 13 179.20 . A 44 LEU CA C 13 58.32 . A 44 LEU CB C 13 41.58 . A 44 LEU N N 15 118.62 . A 45 SER H H 1 8.51 . A 45 SER HA H 1 4.17 . A 45 SER C C 13 174.86 . A 45 SER CA C 13 62.49 . A 45 SER N N 15 114.64 . A 46 ARG H H 1 8.24 . A 46 ARG HA H 1 4.44 . A 46 ARG HBx H 1 1.98 . A 46 ARG HBy H 1 1.98 . A 46 ARG C C 13 178.87 . A 46 ARG CA C 13 59.31 . A 46 ARG N N 15 121.41 . A 47 ARG H H 1 8.07 . A 47 ARG HA H 1 4.21 . A 47 ARG HBx H 1 1.83 . A 47 ARG HBy H 1 1.83 . A 47 ARG C C 13 178.12 . A 47 ARG CA C 13 58.01 . A 47 ARG N N 15 118.11 . A 48 PHE H H 1 8.25 . A 48 PHE HA H 1 4.69 . A 48 PHE HBx H 1 3.39 . A 48 PHE HBy H 1 3.39 . A 48 PHE C C 13 176.74 . A 48 PHE CA C 13 59.63 . A 48 PHE CB C 13 38.75 . A 48 PHE N N 15 117.12 . A 49 ARG H H 1 8.13 . A 49 ARG HA H 1 4.47 . A 49 ARG HBx H 1 1.89 . A 49 ARG HBy H 1 1.89 . A 49 ARG C C 13 177.08 . A 49 ARG CA C 13 57.40 . A 49 ARG CB C 13 28.85 . A 49 ARG N N 15 118.64 . A 50 SER H H 1 8.15 . A 50 SER HA H 1 4.53 . A 50 SER HBx H 1 4.05 . A 50 SER HBy H 1 4.05 . A 50 SER C C 13 175.65 . A 50 SER CA C 13 59.26 . A 50 SER CB C 13 63.95 . A 50 SER N N 15 115.03 . A 51 GLY H H 1 8.21 . A 51 GLY HAx H 1 4.09 . A 51 GLY HAy H 1 4.09 . A 51 GLY C C 13 174.88 . A 51 GLY CA C 13 45.87 . A 51 GLY N N 15 110.28 . A 52 GLY H H 1 8.19 . A 52 GLY HAx H 1 4.03 . A 52 GLY HAy H 1 4.03 . A 52 GLY C C 13 174.09 . A 52 GLY CA C 13 45.58 . A 52 GLY N N 15 108.12 . A 53 ASN H H 1 8.22 . A 53 ASN HA H 1 4.76 . A 53 ASN HBx H 1 2.84 . A 53 ASN HBy H 1 2.84 . A 53 ASN C C 13 175.16 . A 53 ASN CA C 13 53.66 . A 53 ASN CB C 13 39.17 . A 53 ASN N N 15 118.24 . A 54 LYS H H 1 8.18 . A 54 LYS HA H 1 4.37 . A 54 LYS HBx H 1 1.85 . A 54 LYS HBy H 1 1.85 . A 54 LYS C C 13 176.41 . A 54 LYS CA C 13 56.42 . A 54 LYS CB C 13 29.79 . A 54 LYS N N 15 120.89 . A 55 LYS H H 1 8.14 . A 55 LYS HA H 1 4.37 . A 55 LYS HBx H 1 1.87 . A 55 LYS HBy H 1 1.87 . A 55 LYS C C 13 176.73 . A 55 LYS CA C 13 56.62 . A 55 LYS CB C 13 33.01 . A 55 LYS N N 15 121.25 . A 56 ARG H H 1 8.11 . A 56 ARG HA H 1 4.40 . A 56 ARG HBx H 1 1.90 . A 56 ARG HBy H 1 1.90 . A 56 ARG C C 13 175.87 . A 56 ARG CA C 13 56.70 . A 56 ARG CB C 13 31.13 . A 56 ARG N N 15 120.30 . A 57 ARG H H 1 8.01 . A 57 ARG HA H 1 4.36 . A 57 ARG HBx H 1 1.88 . A 57 ARG HBy H 1 1.88 . A 57 ARG C C 13 175.94 . A 57 ARG CA C 13 56.37 . A 57 ARG CB C 13 30.97 . A 57 ARG N N 15 119.15 . A 58 GLN H H 1 8.12 . A 58 GLN HA H 1 4.40 . A 58 GLN HBx H 1 2.06 . A 58 GLN HBy H 1 2.06 . A 58 GLN C C 13 175.93 . A 58 GLN CA C 13 55.81 . A 58 GLN CB C 13 29.79 . A 58 GLN N N 15 119.98 . A 59 ILE H H 1 8.06 . A 59 ILE HA H 1 4.20 . A 59 ILE HB H 1 1.93 . A 59 ILE C C 13 175.93 . A 59 ILE CA C 13 61.56 . A 59 ILE CB C 13 38.81 . A 59 ILE N N 15 121.47 . A 60 ASN H H 1 8.41 . A 60 ASN HA H 1 4.81 . A 60 ASN HBx H 1 2.85 . A 60 ASN HBy H 1 2.85 . A 60 ASN C C 13 175.09 . A 60 ASN CA C 13 53.46 . A 60 ASN CB C 13 39.26 . A 60 ASN N N 15 122.18 . A 61 GLU H H 1 8.36 . A 61 GLU HA H 1 4.40 . A 61 GLU HBx H 1 2.00 . A 61 GLU HBy H 1 2.00 . A 61 GLU C C 13 175.83 . A 61 GLU CA C 13 56.11 . A 61 GLU CB C 13 29.75 . A 61 GLU N N 15 121.65 . A 62 ASP H H 1 8.35 . A 62 ASP HA H 1 4.68 . A 62 ASP HBx H 1 2.72 . A 62 ASP HBy H 1 2.72 . A 62 ASP C C 13 175.93 . A 62 ASP CA C 13 54.10 . A 62 ASP CB C 13 40.61 . A 62 ASP N N 15 121.23 . A 63 GLU H H 1 8.14 . A 63 GLU HA H 1 4.69 . A 63 GLU HBx H 1 1.98 . A 63 GLU HBy H 1 1.98 . A 63 GLU CA C 13 53.91 . A 63 GLU N N 15 122.18 . 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 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 26 ASN O A 30 ILE N 1.0 2.75 3.25 2 2 A 27 GLY O A 31 PHE N 1.0 2.75 3.25 3 3 A 28 GLY O A 32 ALA N 1.0 2.75 3.25 4 4 A 29 LEU O A 33 GLY N 1.0 2.75 3.25 5 5 A 30 ILE O A 34 LEU N 1.0 2.75 3.25 6 6 A 31 PHE O A 35 ALA N 1.0 2.75 3.25 7 7 A 32 ALA O A 36 PHE N 1.0 2.75 3.25 8 8 A 33 GLY O A 37 ILE N 1.0 2.75 3.25 9 9 A 34 LEU O A 38 VAL N 1.0 2.75 3.25 10 10 A 35 ALA O A 39 GLY N 1.0 2.75 3.25 11 11 A 36 PHE O A 40 LEU N 1.0 2.75 3.25 12 12 A 37 ILE O A 41 LEU N 1.0 2.75 3.25 13 13 A 38 VAL O A 42 ILE N 1.0 2.75 3.25 14 14 A 39 GLY O A 43 LEU N 1.0 2.75 3.25 15 15 A 40 LEU O A 44 LEU N 1.0 2.75 3.25 16 16 A 41 LEU O A 45 SER N 1.0 2.75 3.25 17 17 A 42 ILE O A 46 ARG N 1.0 2.75 3.25 18 18 A 43 LEU O A 47 ARG N 1.0 2.75 3.25 19 19 A 44 LEU O A 48 PHE N 1.0 2.75 3.25 20 20 A 26 ASN O A 30 ILE H 1.0 1.75 2.25 21 21 A 27 GLY O A 31 PHE H 1.0 1.75 2.25 22 22 A 28 GLY O A 32 ALA H 1.0 1.75 2.25 23 23 A 29 LEU O A 33 GLY H 1.0 1.75 2.25 24 24 A 30 ILE O A 34 LEU H 1.0 1.75 2.25 25 25 A 31 PHE O A 35 ALA H 1.0 1.75 2.25 26 26 A 32 ALA O A 36 PHE H 1.0 1.75 2.25 27 27 A 33 GLY O A 37 ILE H 1.0 1.75 2.25 28 28 A 34 LEU O A 38 VAL H 1.0 1.75 2.25 29 29 A 35 ALA O A 39 GLY H 1.0 2.75 3.25 30 30 A 36 PHE O A 40 LEU H 1.0 1.75 2.25 31 31 A 37 ILE O A 41 LEU H 1.0 2.75 3.25 32 32 A 38 VAL O A 42 ILE H 1.0 2.75 3.25 33 33 A 39 GLY O A 43 LEU H 1.0 2.75 3.25 34 34 A 40 LEU O A 44 LEU H 1.0 2.75 3.25 35 35 A 41 LEU O A 45 SER H 1.0 2.75 3.25 36 36 A 42 ILE O A 46 ARG H 1.0 2.75 3.25 37 37 A 43 LEU O A 47 ARG H 1.0 2.75 3.25 38 38 A 44 LEU O A 48 PHE H 1.0 2.75 3.25 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin pre _nef_distance_restraint_list.potential_type . 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 1 LEU C A 2 ASP N A 2 ASP CA A 2 ASP C 1.0 -126.00 -70.00 PHI 2 2 A 2 ASP N A 2 ASP CA A 2 ASP C A 3 ARG N 1.0 84.00 192.00 PSI 3 3 A 3 ARG C A 4 TRP N A 4 TRP CA A 4 TRP C 1.0 -125.00 -87.00 PHI 4 4 A 4 TRP N A 4 TRP CA A 4 TRP C A 5 TYR N 1.0 -25.00 13.00 PSI 5 5 A 4 TRP C A 5 TYR N A 5 TYR CA A 5 TYR C 1.0 -143.00 -77.00 PHI 6 6 A 5 TYR N A 5 TYR CA A 5 TYR C A 6 LEU N 1.0 115.00 177.00 PSI 7 7 A 13 ASP C A 14 VAL N A 14 VAL CA A 14 VAL C 1.0 -160.00 -90.00 PHI 8 8 A 14 VAL N A 14 VAL CA A 14 VAL C A 15 ASP N 1.0 125.00 163.00 PSI 9 9 A 14 VAL C A 15 ASP N A 15 ASP CA A 15 ASP C 1.0 -164.00 -100.00 PHI 10 10 A 15 ASP N A 15 ASP CA A 15 ASP C A 16 PRO N 1.0 59.00 149.00 PSI 11 11 A 16 PRO C A 17 PHE N A 17 PHE CA A 17 PHE C 1.0 -86.00 -60.00 PHI 12 12 A 17 PHE N A 17 PHE CA A 17 PHE C A 18 TYR N 1.0 -40.00 2.00 PSI 13 13 A 17 PHE C A 18 TYR N A 18 TYR CA A 18 TYR C 1.0 -119.00 -61.00 PHI 14 14 A 18 TYR N A 18 TYR CA A 18 TYR C A 19 TYR N 1.0 -45.00 -5.00 PSI 15 15 A 18 TYR C A 19 TYR N A 19 TYR CA A 19 TYR C 1.0 -96.00 -58.00 PHI 16 16 A 19 TYR N A 19 TYR CA A 19 TYR C A 20 ASP N 1.0 -48.00 -16.00 PSI 17 17 A 19 TYR C A 20 ASP N A 20 ASP CA A 20 ASP C 1.0 -90.00 -60.00 PHI 18 18 A 20 ASP N A 20 ASP CA A 20 ASP C A 21 TYR N 1.0 -45.00 -9.00 PSI 19 19 A 20 ASP C A 21 TYR N A 21 TYR CA A 21 TYR C 1.0 -102.00 -66.00 PHI 20 20 A 21 TYR N A 21 TYR CA A 21 TYR C A 22 GLU N 1.0 -43.00 3.00 PSI 21 21 A 21 TYR C A 22 GLU N A 22 GLU CA A 22 GLU C 1.0 -71.00 -57.00 PHI 22 22 A 22 GLU N A 22 GLU CA A 22 GLU C A 23 THR N 1.0 -51.00 -33.00 PSI 23 23 A 22 GLU C A 23 THR N A 23 THR CA A 23 THR C 1.0 -94.00 -54.00 PHI 24 24 A 23 THR N A 23 THR CA A 23 THR C A 24 VAL N 1.0 -54.00 -16.00 PSI 25 25 A 23 THR C A 24 VAL N A 24 VAL CA A 24 VAL C 1.0 -90.00 -48.00 PHI 26 26 A 24 VAL N A 24 VAL CA A 24 VAL C A 25 ARG N 1.0 -54.00 -30.00 PSI 27 27 A 24 VAL C A 25 ARG N A 25 ARG CA A 25 ARG C 1.0 -91.00 -51.00 PHI 28 28 A 25 ARG N A 25 ARG CA A 25 ARG C A 26 ASN N 1.0 -54.00 -28.00 PSI 29 29 A 25 ARG C A 26 ASN N A 26 ASN CA A 26 ASN C 1.0 -90.00 -60.00 PHI 30 30 A 26 ASN N A 26 ASN CA A 26 ASN C A 27 GLY N 1.0 -53.00 -5.00 PSI 31 31 A 26 ASN C A 27 GLY N A 27 GLY CA A 27 GLY C 1.0 -64.00 -56.00 PHI 32 32 A 27 GLY N A 27 GLY CA A 27 GLY C A 28 GLY N 1.0 -43.00 -27.00 PSI 33 33 A 27 GLY C A 28 GLY N A 28 GLY CA A 28 GLY C 1.0 -66.00 -54.00 PHI 34 34 A 28 GLY N A 28 GLY CA A 28 GLY C A 29 LEU N 1.0 -50.00 -40.00 PSI 35 35 A 28 GLY C A 29 LEU N A 29 LEU CA A 29 LEU C 1.0 -73.04 -58.44 PHI 36 36 A 29 LEU N A 29 LEU CA A 29 LEU C A 30 ILE N 1.0 -46.21 -33.81 PSI 37 37 A 29 LEU C A 30 ILE N A 30 ILE CA A 30 ILE C 1.0 -71.40 -60.00 PHI 38 38 A 30 ILE N A 30 ILE CA A 30 ILE C A 31 PHE N 1.0 -51.96 -39.76 PSI 39 39 A 30 ILE C A 31 PHE N A 31 PHE CA A 31 PHE C 1.0 -75.41 -54.21 PHI 40 40 A 31 PHE N A 31 PHE CA A 31 PHE C A 32 ALA N 1.0 -47.91 -35.71 PSI 41 41 A 31 PHE C A 32 ALA N A 32 ALA CA A 32 ALA C 1.0 -70.60 -58.80 PHI 42 42 A 32 ALA N A 32 ALA CA A 32 ALA C A 33 GLY N 1.0 -50.96 -29.16 PSI 43 43 A 32 ALA C A 33 GLY N A 33 GLY CA A 33 GLY C 1.0 -70.05 -60.05 PHI 44 44 A 33 GLY N A 33 GLY CA A 33 GLY C A 34 LEU N 1.0 -47.48 -24.68 PSI 45 45 A 33 GLY C A 34 LEU N A 34 LEU CA A 34 LEU C 1.0 -70.99 -51.19 PHI 46 46 A 34 LEU N A 34 LEU CA A 34 LEU C A 35 ALA N 1.0 -51.06 -34.66 PSI 47 47 A 34 LEU C A 35 ALA N A 35 ALA CA A 35 ALA C 1.0 -66.52 -59.92 PHI 48 48 A 35 ALA N A 35 ALA CA A 35 ALA C A 36 PHE N 1.0 -46.97 -28.37 PSI 49 49 A 35 ALA C A 36 PHE N A 36 PHE CA A 36 PHE C 1.0 -70.13 -60.13 PHI 50 50 A 36 PHE N A 36 PHE CA A 36 PHE C A 37 ILE N 1.0 -47.79 -37.19 PSI 51 51 A 36 PHE C A 37 ILE N A 37 ILE CA A 37 ILE C 1.0 -68.00 -57.00 PHI 52 52 A 37 ILE N A 37 ILE CA A 37 ILE C A 38 VAL N 1.0 -49.82 -40.02 PSI 53 53 A 37 ILE C A 38 VAL N A 38 VAL CA A 38 VAL C 1.0 -66.49 -57.29 PHI 54 54 A 38 VAL N A 38 VAL CA A 38 VAL C A 39 GLY N 1.0 -48.00 -36.20 PSI 55 55 A 38 VAL C A 39 GLY N A 39 GLY CA A 39 GLY C 1.0 -67.21 -60.81 PHI 56 56 A 39 GLY N A 39 GLY CA A 39 GLY C A 40 LEU N 1.0 -44.69 -35.29 PSI 57 57 A 39 GLY C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -67.40 -58.40 PHI 58 58 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 LEU N 1.0 -48.95 -37.35 PSI 59 59 A 40 LEU C A 41 LEU N A 41 LEU CA A 41 LEU C 1.0 -67.52 -57.32 PHI 60 60 A 41 LEU N A 41 LEU CA A 41 LEU C A 42 ILE N 1.0 -45.96 -34.36 PSI 61 61 A 41 LEU C A 42 ILE N A 42 ILE CA A 42 ILE C 1.0 -69.33 -57.93 PHI 62 62 A 42 ILE N A 42 ILE CA A 42 ILE C A 43 LEU N 1.0 -49.83 -39.23 PSI 63 63 A 42 ILE C A 43 LEU N A 43 LEU CA A 43 LEU C 1.0 -68.22 -56.62 PHI 64 64 A 43 LEU N A 43 LEU CA A 43 LEU C A 44 LEU N 1.0 -46.86 -33.26 PSI 65 65 A 43 LEU C A 44 LEU N A 44 LEU CA A 44 LEU C 1.0 -70.64 -61.44 PHI 66 66 A 44 LEU N A 44 LEU CA A 44 LEU C A 45 SER N 1.0 -44.99 -30.39 PSI 67 67 A 44 LEU C A 45 SER N A 45 SER CA A 45 SER C 1.0 -72.83 -57.03 PHI 68 68 A 45 SER N A 45 SER CA A 45 SER C A 46 ARG N 1.0 -47.09 -38.49 PSI 69 69 A 45 SER C A 46 ARG N A 46 ARG CA A 46 ARG C 1.0 -66.66 -54.46 PHI 70 70 A 46 ARG N A 46 ARG CA A 46 ARG C A 47 ARG N 1.0 -53.01 -37.61 PSI 71 71 A 46 ARG C A 47 ARG N A 47 ARG CA A 47 ARG C 1.0 -72.83 -56.83 PHI 72 72 A 47 ARG N A 47 ARG CA A 47 ARG C A 48 PHE N 1.0 -48.74 -22.34 PSI 73 73 A 47 ARG C A 48 PHE N A 48 PHE CA A 48 PHE C 1.0 -93.94 -49.54 PHI 74 74 A 48 PHE N A 48 PHE CA A 48 PHE C A 49 ARG N 1.0 -51.97 -33.57 PSI 75 75 A 48 PHE C A 49 ARG N A 49 ARG CA A 49 ARG C 1.0 -92.75 -64.15 PHI 76 76 A 49 ARG N A 49 ARG CA A 49 ARG C A 50 SER N 1.0 -49.98 -14.78 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_3 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_3 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 2 ASP N A 2 ASP H 1.0 . . . 2 2 A 3 ARG N A 3 ARG H 1.0 . . . 3 3 A 4 TRP N A 4 TRP H 1.0 . . . 4 4 A 5 TYR N A 5 TYR H 1.0 . . . 5 5 A 6 LEU N A 6 LEU H 1.0 . . . 6 6 A 7 GLY N A 7 GLY H 1.0 . . . 7 7 A 8 GLY N A 8 GLY H 1.0 . . . 8 8 A 9 SER N A 9 SER H 1.0 . . . 9 9 A 11 LYS N A 11 LYS H 1.0 . . . 10 10 A 12 GLY N A 12 GLY H 1.0 . . . 11 11 A 13 ASP N A 13 ASP H 1.0 . . . 12 12 A 14 VAL N A 14 VAL H 1.0 . . . 13 13 A 15 ASP N A 15 ASP H 1.0 . . . 14 14 A 17 PHE N A 17 PHE H 1.0 . . . 15 15 A 18 TYR N A 18 TYR H 1.0 . . . 16 16 A 19 TYR N A 19 TYR H 1.0 . . . 17 17 A 20 ASP N A 20 ASP H 1.0 . . . 18 18 A 21 TYR N A 21 TYR H 1.0 . . . 19 19 A 22 GLU N A 22 GLU H 1.0 . . . 20 20 A 23 THR N A 23 THR H 1.0 . . . 21 21 A 24 VAL N A 24 VAL H 1.0 . . . 22 22 A 25 ARG N A 25 ARG H 1.0 . . . 23 23 A 26 ASN N A 26 ASN H 1.0 . . . 24 24 A 27 GLY N A 27 GLY H 1.0 . . . 25 25 A 28 GLY N A 28 GLY H 1.0 . . . 26 26 A 29 LEU N A 29 LEU H 1.0 . . . 27 27 A 30 ILE N A 30 ILE H 1.0 . . . 28 28 A 31 PHE N A 31 PHE H 1.0 . . . 29 29 A 32 ALA N A 32 ALA H 1.0 . . . 30 30 A 33 GLY N A 33 GLY H 1.0 . . . 31 31 A 34 LEU N A 34 LEU H 1.0 . . . 32 32 A 35 ALA N A 35 ALA H 1.0 . . . 33 33 A 36 PHE N A 36 PHE H 1.0 . . . 34 34 A 37 ILE N A 37 ILE H 1.0 . . . 35 35 A 38 VAL N A 38 VAL H 1.0 . . . 36 36 A 39 GLY N A 39 GLY H 1.0 . . . 37 37 A 40 LEU N A 40 LEU H 1.0 . . . 38 38 A 41 LEU N A 41 LEU H 1.0 . . . 39 39 A 42 ILE N A 42 ILE H 1.0 . . . 40 40 A 43 LEU N A 43 LEU H 1.0 . . . 41 41 A 44 LEU N A 44 LEU H 1.0 . . . 42 42 A 45 SER N A 45 SER H 1.0 . . . 43 43 A 46 ARG N A 46 ARG H 1.0 . . . 44 44 A 47 ARG N A 47 ARG H 1.0 . . . 45 45 A 48 PHE N A 48 PHE H 1.0 . . . 46 46 A 49 ARG N A 49 ARG H 1.0 . . . 47 47 A 50 SER N A 50 SER H 1.0 . . . 48 48 A 51 GLY N A 51 GLY H 1.0 . . . 49 49 A 52 GLY N A 52 GLY H 1.0 . . . 50 50 A 53 ASN N A 53 ASN H 1.0 . . . 51 51 A 54 LYS N A 54 LYS H 1.0 . . . 52 52 A 55 LYS N A 55 LYS H 1.0 . . . 53 53 A 56 ARG N A 56 ARG H 1.0 . . . 54 54 A 57 ARG N A 57 ARG H 1.0 . . . 55 55 A 58 GLN N A 58 GLN H 1.0 . . . 56 56 A 59 ILE N A 59 ILE H 1.0 . . . 57 57 A 60 ASN N A 60 ASN H 1.0 . . . 58 58 A 61 GLU N A 61 GLU H 1.0 . . . 59 59 A 62 ASP N A 62 ASP H 1.0 . . . 60 60 A 63 GLU N A 63 GLU H 1.0 . . . stop_ save_