data_nef_c34304_6h5h 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6H5H 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 -29 MET start . . 2 A -28 LYS middle . . 3 A -27 HIS middle . . 4 A -26 HIS middle . . 5 A -25 HIS middle . . 6 A -24 HIS middle . . 7 A -23 HIS middle . . 8 A -22 HIS middle . . 9 A -21 PRO middle . false 10 A -20 MET middle . . 11 A -19 SER middle . . 12 A -18 ASP middle . . 13 A -17 TYR middle . . 14 A -16 ASP middle . . 15 A -15 ILE middle . . 16 A -14 PRO middle . false 17 A -13 THR middle . . 18 A -12 THR middle . . 19 A -11 GLU middle . . 20 A -10 ASN middle . . 21 A -9 LEU middle . . 22 A -8 TYR middle . . 23 A -7 PHE middle . . 24 A -6 GLN middle . . 25 A -5 GLY middle . false 26 A -4 ALA middle . . 27 A -3 MET middle . . 28 A -2 GLY middle . false 29 A -1 GLY middle . false 30 A 0 GLN middle . . 31 A 1 GLU middle . . 32 A 2 THR middle . . 33 A 3 LEU middle . . 34 A 4 ASN middle . . 35 A 5 GLY middle . false 36 A 6 ALA middle . . 37 A 7 LEU middle . . 38 A 8 VAL middle . . 39 A 9 ASN middle . . 40 A 10 MET middle . . 41 A 11 LEU middle . . 42 A 12 LYS middle . . 43 A 13 GLU middle . . 44 A 14 GLU middle . . 45 A 15 GLY middle . false 46 A 16 ASN middle . . 47 A 17 LYS middle . . 48 A 18 ALA middle . . 49 A 19 LEU middle . . 50 A 20 SER middle . . 51 A 21 VAL middle . . 52 A 22 GLY middle . false 53 A 23 ASN middle . . 54 A 24 ILE middle . . 55 A 25 ASP middle . . 56 A 26 ASP middle . . 57 A 27 ALA middle . . 58 A 28 LEU middle . . 59 A 29 GLN middle . . 60 A 30 TYR middle . . 61 A 31 TYR middle . . 62 A 32 ALA middle . . 63 A 33 ALA middle . . 64 A 34 ALA middle . . 65 A 35 ILE middle . . 66 A 36 THR middle . . 67 A 37 LEU middle . . 68 A 38 ASP middle . . 69 A 39 LYS middle . . 70 A 40 TYR middle . . 71 A 41 PRO middle . false 72 A 42 HIS middle . . 73 A 43 LYS middle . . 74 A 44 ILE middle . . 75 A 45 LYS middle . . 76 A 46 SER middle . . 77 A 47 GLY middle . false 78 A 48 ALA middle . . 79 A 49 GLU middle . . 80 A 50 ALA middle . . 81 A 51 LYS middle . . 82 A 52 LYS middle . . 83 A 53 LEU middle . . 84 A 54 PRO middle . false 85 A 55 GLY middle . false 86 A 56 VAL middle . . 87 A 57 GLY middle . false 88 A 58 THR middle . . 89 A 59 LYS middle . . 90 A 60 ILE middle . . 91 A 61 ALA middle . . 92 A 62 GLU middle . . 93 A 63 LYS middle . . 94 A 64 ILE middle . . 95 A 65 ASP middle . . 96 A 66 GLU middle . . 97 A 67 PHE middle . . 98 A 68 LEU middle . . 99 A 69 ALA middle . . 100 A 70 THR middle . . 101 A 71 GLY middle . false 102 A 72 LYS middle . . 103 A 73 LEU middle . . 104 A 74 ARG middle . . 105 A 75 LYS middle . . 106 A 76 LEU middle . . 107 A 77 GLU middle . . 108 A 78 LYS middle . . 109 A 79 ILE middle . . 110 A 80 ARG middle . . 111 A 81 GLN middle . . 112 A 82 ASP middle . . 113 A 83 ASP middle . . 114 A 84 THR middle . . 115 A 85 SER middle . . 116 A 86 SER middle . . 117 A 87 SER middle . . 118 A 88 ILE middle . . 119 A 89 ASN middle . . 120 A 90 PHE middle . . 121 A 91 LEU end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 GLU H H 1 8.60 0.02 A 1 GLU HA H 1 4.49 0.02 A 1 GLU HB2 H 1 2.10 0.02 A 1 GLU HB3 H 1 2.10 0.02 A 1 GLU HG2 H 1 2.38 0.02 A 1 GLU HG3 H 1 2.38 0.02 A 1 GLU C C 13 176.67 0.05 A 1 GLU CA C 13 56.74 0.05 A 1 GLU CB C 13 30.37 0.05 A 1 GLU CG C 13 36.24 0.05 A 1 GLU N N 15 121.97 0.05 A 2 THR H H 1 8.18 0.02 A 2 THR HA H 1 4.61 0.02 A 2 THR HB H 1 4.61 0.02 A 2 THR HG2% H 1 1.33 0.02 A 2 THR C C 13 175.92 0.05 A 2 THR CA C 13 60.96 0.05 A 2 THR CB C 13 70.14 0.05 A 2 THR CG2 C 13 21.73 0.05 A 2 THR N N 15 114.21 0.05 A 3 LEU H H 1 8.71 0.02 A 3 LEU HA H 1 4.37 0.02 A 3 LEU HB2 H 1 1.77 0.02 A 3 LEU HB3 H 1 1.52 0.02 A 3 LEU HD1% H 1 0.92 0.02 A 3 LEU HD2% H 1 0.96 0.02 A 3 LEU HG H 1 1.78 0.02 A 3 LEU C C 13 177.72 0.05 A 3 LEU CA C 13 57.54 0.05 A 3 LEU CB C 13 42.90 0.05 A 3 LEU CD1 C 13 25.20 0.05 A 3 LEU CD2 C 13 23.67 0.05 A 3 LEU CG C 13 26.98 0.05 A 3 LEU N N 15 123.99 0.05 A 4 ASN H H 1 8.67 0.02 A 4 ASN HA H 1 5.45 0.02 A 4 ASN HB2 H 1 2.77 0.02 A 4 ASN HB3 H 1 3.04 0.02 A 4 ASN HD21 H 1 7.99 0.02 A 4 ASN HD22 H 1 8.07 0.02 A 4 ASN C C 13 176.00 0.05 A 4 ASN CA C 13 53.02 0.05 A 4 ASN CB C 13 39.97 0.05 A 4 ASN N N 15 114.32 0.05 A 4 ASN ND2 N 15 116.54 0.05 A 5 GLY H H 1 8.04 0.02 A 5 GLY HA2 H 1 3.76 0.02 A 5 GLY HA3 H 1 4.11 0.02 A 5 GLY CA C 13 48.63 0.05 A 5 GLY N N 15 108.72 0.05 A 6 ALA HA H 1 4.37 0.02 A 6 ALA HB% H 1 1.71 0.02 A 6 ALA C C 13 180.78 0.05 A 6 ALA CA C 13 55.47 0.05 A 6 ALA CB C 13 17.96 0.05 A 7 LEU H H 1 7.75 0.02 A 7 LEU HA H 1 3.87 0.02 A 7 LEU HB2 H 1 2.04 0.02 A 7 LEU HB3 H 1 1.45 0.02 A 7 LEU HD1% H 1 1.06 0.02 A 7 LEU HD2% H 1 1.01 0.02 A 7 LEU HG H 1 1.78 0.02 A 7 LEU C C 13 178.39 0.05 A 7 LEU CA C 13 57.38 0.05 A 7 LEU CB C 13 42.87 0.05 A 7 LEU CD1 C 13 26.53 0.05 A 7 LEU CD2 C 13 25.31 0.05 A 7 LEU CG C 13 26.81 0.05 A 7 LEU N N 15 118.06 0.05 A 8 VAL H H 1 8.40 0.02 A 8 VAL HA H 1 3.46 0.02 A 8 VAL HB H 1 2.24 0.02 A 8 VAL HG1% H 1 1.02 0.02 A 8 VAL HG2% H 1 1.21 0.02 A 8 VAL C C 13 177.63 0.05 A 8 VAL CA C 13 67.57 0.05 A 8 VAL CB C 13 32.10 0.05 A 8 VAL CG1 C 13 20.92 0.05 A 8 VAL CG2 C 13 22.89 0.05 A 8 VAL N N 15 120.17 0.05 A 9 ASN H H 1 8.27 0.02 A 9 ASN HA H 1 4.45 0.02 A 9 ASN HB2 H 1 2.91 0.02 A 9 ASN HB3 H 1 2.88 0.02 A 9 ASN HD21 H 1 7.60 0.02 A 9 ASN HD22 H 1 6.96 0.02 A 9 ASN C C 13 177.57 0.05 A 9 ASN CA C 13 56.69 0.05 A 9 ASN CB C 13 38.25 0.05 A 9 ASN N N 15 116.89 0.05 A 9 ASN ND2 N 15 112.61 0.05 A 10 MET H H 1 7.57 0.02 A 10 MET HA H 1 4.02 0.02 A 10 MET HB2 H 1 1.64 0.02 A 10 MET HB3 H 1 1.80 0.02 A 10 MET HE% H 1 1.74 0.02 A 10 MET HGy H 1 2.38 0.02 A 10 MET HGx H 1 2.26 0.02 A 10 MET C C 13 178.18 0.05 A 10 MET CA C 13 59.16 0.05 A 10 MET CB C 13 29.66 0.05 A 10 MET CE C 13 16.51 0.05 A 10 MET CG C 13 31.39 0.05 A 10 MET N N 15 120.83 0.05 A 11 LEU H H 1 8.31 0.02 A 11 LEU HA H 1 3.89 0.02 A 11 LEU HB2 H 1 2.07 0.02 A 11 LEU HB3 H 1 1.71 0.02 A 11 LEU HD1% H 1 0.83 0.02 A 11 LEU HD2% H 1 1.02 0.02 A 11 LEU HG H 1 1.92 0.02 A 11 LEU CA C 13 58.39 0.05 A 11 LEU CB C 13 41.72 0.05 A 11 LEU CD1 C 13 26.52 0.05 A 11 LEU CD2 C 13 23.59 0.05 A 11 LEU CG C 13 26.70 0.05 A 11 LEU N N 15 121.68 0.05 A 12 LYS H H 1 8.31 0.02 A 12 LYS HA H 1 3.80 0.02 A 12 LYS HB2 H 1 2.00 0.02 A 12 LYS HB3 H 1 2.00 0.02 A 12 LYS HD2 H 1 1.75 0.02 A 12 LYS HD3 H 1 1.75 0.02 A 12 LYS HE2 H 1 2.91 0.02 A 12 LYS HE3 H 1 2.91 0.02 A 12 LYS HG2 H 1 1.30 0.02 A 12 LYS HG3 H 1 1.30 0.02 A 12 LYS C C 13 178.41 0.05 A 12 LYS CA C 13 60.58 0.05 A 12 LYS CB C 13 32.20 0.05 A 12 LYS CD C 13 30.16 0.05 A 12 LYS CE C 13 42.10 0.05 A 12 LYS CG C 13 26.53 0.05 A 12 LYS N N 15 121.64 0.05 A 13 GLU H H 1 7.98 0.02 A 13 GLU HA H 1 4.19 0.02 A 13 GLU HB2 H 1 2.24 0.02 A 13 GLU HB3 H 1 2.16 0.02 A 13 GLU HGy H 1 2.43 0.02 A 13 GLU HGx H 1 2.33 0.02 A 13 GLU C C 13 179.93 0.05 A 13 GLU CA C 13 59.42 0.05 A 13 GLU CB C 13 28.88 0.05 A 13 GLU CG C 13 36.19 0.05 A 13 GLU N N 15 119.00 0.05 A 14 GLU H H 1 8.23 0.02 A 14 GLU HA H 1 3.82 0.02 A 14 GLU HB2 H 1 1.36 0.02 A 14 GLU HB3 H 1 0.94 0.02 A 14 GLU HGy H 1 2.35 0.02 A 14 GLU HGx H 1 1.85 0.02 A 14 GLU C C 13 180.31 0.05 A 14 GLU CA C 13 58.77 0.05 A 14 GLU CB C 13 27.18 0.05 A 14 GLU CG C 13 36.18 0.05 A 14 GLU N N 15 120.04 0.05 A 15 GLY H H 1 8.42 0.02 A 15 GLY HA2 H 1 3.64 0.02 A 15 GLY HA3 H 1 3.33 0.02 A 15 GLY C C 13 174.25 0.05 A 15 GLY CA C 13 48.27 0.05 A 15 GLY N N 15 109.74 0.05 A 16 ASN H H 1 8.70 0.02 A 16 ASN HA H 1 4.54 0.02 A 16 ASN HB2 H 1 3.21 0.02 A 16 ASN HB3 H 1 2.98 0.02 A 16 ASN HD21 H 1 7.71 0.02 A 16 ASN HD22 H 1 6.85 0.02 A 16 ASN C C 13 178.74 0.05 A 16 ASN CA C 13 56.01 0.05 A 16 ASN CB C 13 37.63 0.05 A 16 ASN N N 15 121.83 0.05 A 16 ASN ND2 N 15 111.17 0.05 A 17 LYS H H 1 8.38 0.02 A 17 LYS HA H 1 4.06 0.02 A 17 LYS HBy H 1 1.96 0.02 A 17 LYS HBx H 1 1.93 0.02 A 17 LYS HD2 H 1 1.71 0.02 A 17 LYS HD3 H 1 1.71 0.02 A 17 LYS HE2 H 1 2.97 0.02 A 17 LYS HE3 H 1 2.97 0.02 A 17 LYS HGy H 1 1.72 0.02 A 17 LYS HGx H 1 1.56 0.02 A 17 LYS C C 13 179.68 0.05 A 17 LYS CA C 13 59.84 0.05 A 17 LYS CB C 13 32.37 0.05 A 17 LYS CD C 13 29.47 0.05 A 17 LYS CE C 13 42.04 0.05 A 17 LYS CG C 13 25.28 0.05 A 17 LYS N N 15 122.10 0.05 A 18 ALA H H 1 8.00 0.02 A 18 ALA HA H 1 4.41 0.02 A 18 ALA HB% H 1 1.75 0.02 A 18 ALA C C 13 179.82 0.05 A 18 ALA CA C 13 54.91 0.05 A 18 ALA CB C 13 17.37 0.05 A 18 ALA N N 15 122.90 0.05 A 19 LEU H H 1 8.69 0.02 A 19 LEU HA H 1 3.83 0.02 A 19 LEU HB2 H 1 1.94 0.02 A 19 LEU HB3 H 1 1.89 0.02 A 19 LEU HD1% H 1 1.02 0.02 A 19 LEU HD2% H 1 1.06 0.02 A 19 LEU HG H 1 1.84 0.02 A 19 LEU C C 13 180.74 0.05 A 19 LEU CA C 13 58.16 0.05 A 19 LEU CB C 13 41.98 0.05 A 19 LEU CD1 C 13 25.26 0.05 A 19 LEU CD2 C 13 26.35 0.05 A 19 LEU CG C 13 26.71 0.05 A 19 LEU N N 15 120.03 0.05 A 20 SER H H 1 8.18 0.02 A 20 SER HA H 1 4.33 0.02 A 20 SER HBy H 1 4.19 0.02 A 20 SER HBx H 1 4.16 0.02 A 20 SER C C 13 175.61 0.05 A 20 SER CA C 13 61.73 0.05 A 20 SER CB C 13 63.30 0.05 A 20 SER N N 15 114.52 0.05 A 21 VAL H H 1 7.24 0.02 A 21 VAL HA H 1 4.75 0.02 A 21 VAL HB H 1 2.65 0.02 A 21 VAL HG1% H 1 1.07 0.02 A 21 VAL HG2% H 1 1.16 0.02 A 21 VAL C C 13 176.60 0.05 A 21 VAL CA C 13 60.84 0.05 A 21 VAL CB C 13 31.43 0.05 A 21 VAL CG1 C 13 21.25 0.05 A 21 VAL CG2 C 13 19.32 0.05 A 21 VAL N N 15 112.04 0.05 A 22 GLY H H 1 8.01 0.02 A 22 GLY HA2 H 1 3.77 0.02 A 22 GLY HA3 H 1 4.40 0.02 A 22 GLY C C 13 174.24 0.05 A 22 GLY CA C 13 45.71 0.05 A 22 GLY N N 15 109.25 0.05 A 23 ASN H H 1 8.39 0.02 A 23 ASN HA H 1 5.12 0.02 A 23 ASN HBy H 1 3.27 0.02 A 23 ASN HBx H 1 2.76 0.02 A 23 ASN HD21 H 1 7.70 0.02 A 23 ASN HD22 H 1 7.08 0.02 A 23 ASN C C 13 175.02 0.05 A 23 ASN CA C 13 51.17 0.05 A 23 ASN CB C 13 36.53 0.05 A 23 ASN N N 15 122.15 0.05 A 23 ASN ND2 N 15 111.82 0.05 A 24 ILE H H 1 7.74 0.02 A 24 ILE HA H 1 3.67 0.02 A 24 ILE HB H 1 1.93 0.02 A 24 ILE HD1% H 1 0.95 0.02 A 24 ILE HG1y H 1 1.55 0.02 A 24 ILE HG1x H 1 1.35 0.02 A 24 ILE HG2% H 1 1.00 0.02 A 24 ILE C C 13 176.55 0.05 A 24 ILE CA C 13 63.91 0.05 A 24 ILE CB C 13 37.80 0.05 A 24 ILE CD1 C 13 12.58 0.05 A 24 ILE CG1 C 13 28.82 0.05 A 24 ILE CG2 C 13 17.79 0.05 A 24 ILE N N 15 122.43 0.05 A 25 ASP H H 1 8.33 0.02 A 25 ASP HA H 1 4.41 0.02 A 25 ASP HB2 H 1 2.74 0.02 A 25 ASP HB3 H 1 2.74 0.02 A 25 ASP C C 13 179.19 0.05 A 25 ASP CA C 13 57.88 0.05 A 25 ASP CB C 13 40.59 0.05 A 25 ASP N N 15 119.41 0.05 A 26 ASP H H 1 7.61 0.02 A 26 ASP HA H 1 4.35 0.02 A 26 ASP HB2 H 1 2.54 0.02 A 26 ASP HB3 H 1 2.50 0.02 A 26 ASP C C 13 177.86 0.05 A 26 ASP CA C 13 56.88 0.05 A 26 ASP CB C 13 39.93 0.05 A 26 ASP N N 15 117.97 0.05 A 27 ALA H H 1 7.96 0.02 A 27 ALA HA H 1 4.05 0.02 A 27 ALA HB% H 1 1.54 0.02 A 27 ALA C C 13 178.49 0.05 A 27 ALA CA C 13 56.36 0.05 A 27 ALA CB C 13 19.01 0.05 A 27 ALA N N 15 121.67 0.05 A 28 LEU H H 1 8.42 0.02 A 28 LEU HA H 1 4.14 0.02 A 28 LEU HB2 H 1 2.02 0.02 A 28 LEU HB3 H 1 1.72 0.02 A 28 LEU HD1% H 1 1.01 0.02 A 28 LEU HD2% H 1 1.04 0.02 A 28 LEU HG H 1 2.03 0.02 A 28 LEU C C 13 179.55 0.05 A 28 LEU CA C 13 58.37 0.05 A 28 LEU CB C 13 41.58 0.05 A 28 LEU CD1 C 13 25.59 0.05 A 28 LEU CD2 C 13 23.75 0.05 A 28 LEU CG C 13 27.21 0.05 A 28 LEU N N 15 114.85 0.05 A 29 GLN H H 1 7.51 0.02 A 29 GLN HA H 1 4.17 0.02 A 29 GLN HB2 H 1 2.11 0.02 A 29 GLN HB3 H 1 2.07 0.02 A 29 GLN HE21 H 1 7.23 0.02 A 29 GLN HE22 H 1 6.70 0.02 A 29 GLN HGy H 1 2.65 0.02 A 29 GLN HGx H 1 2.37 0.02 A 29 GLN C C 13 179.78 0.05 A 29 GLN CA C 13 59.39 0.05 A 29 GLN CB C 13 28.54 0.05 A 29 GLN CG C 13 34.44 0.05 A 29 GLN N N 15 117.54 0.05 A 29 GLN NE2 N 15 111.42 0.05 A 30 TYR H H 1 8.30 0.02 A 30 TYR HA H 1 4.24 0.02 A 30 TYR HB2 H 1 2.67 0.02 A 30 TYR HB3 H 1 3.37 0.02 A 30 TYR HD1 H 1 6.94 0.02 A 30 TYR HD2 H 1 6.94 0.02 A 30 TYR HE1 H 1 6.60 0.02 A 30 TYR HE2 H 1 6.60 0.02 A 30 TYR C C 13 178.51 0.05 A 30 TYR CA C 13 63.04 0.05 A 30 TYR CB C 13 37.04 0.05 A 30 TYR CD1 C 13 132.82 0.05 A 30 TYR CD2 C 13 132.82 0.05 A 30 TYR CE1 C 13 117.71 0.05 A 30 TYR CE2 C 13 117.71 0.05 A 30 TYR N N 15 120.58 0.05 A 31 TYR H H 1 8.74 0.02 A 31 TYR HA H 1 4.47 0.02 A 31 TYR HB2 H 1 3.09 0.02 A 31 TYR HB3 H 1 3.15 0.02 A 31 TYR HD1 H 1 7.00 0.02 A 31 TYR HD2 H 1 7.00 0.02 A 31 TYR HE1 H 1 6.78 0.02 A 31 TYR HE2 H 1 6.78 0.02 A 31 TYR C C 13 178.66 0.05 A 31 TYR CA C 13 60.45 0.05 A 31 TYR CB C 13 37.67 0.05 A 31 TYR CD1 C 13 130.68 0.05 A 31 TYR CD2 C 13 130.68 0.05 A 31 TYR CE1 C 13 118.09 0.05 A 31 TYR CE2 C 13 118.09 0.05 A 31 TYR N N 15 117.47 0.05 A 32 ALA H H 1 8.71 0.02 A 32 ALA HA H 1 4.03 0.02 A 32 ALA HB% H 1 1.65 0.02 A 32 ALA C C 13 180.61 0.05 A 32 ALA CA C 13 55.49 0.05 A 32 ALA CB C 13 18.23 0.05 A 32 ALA N N 15 120.66 0.05 A 33 ALA H H 1 7.96 0.02 A 33 ALA HA H 1 4.12 0.02 A 33 ALA HB% H 1 1.69 0.02 A 33 ALA C C 13 178.60 0.05 A 33 ALA CA C 13 54.78 0.05 A 33 ALA CB C 13 19.57 0.05 A 33 ALA N N 15 120.32 0.05 A 34 ALA H H 1 8.42 0.02 A 34 ALA HA H 1 4.02 0.02 A 34 ALA HB% H 1 1.76 0.02 A 34 ALA C C 13 179.05 0.05 A 34 ALA CA C 13 55.75 0.05 A 34 ALA CB C 13 18.38 0.05 A 34 ALA N N 15 120.77 0.05 A 35 ILE H H 1 7.98 0.02 A 35 ILE HA H 1 3.94 0.02 A 35 ILE HB H 1 2.09 0.02 A 35 ILE HD1% H 1 0.96 0.02 A 35 ILE HG1y H 1 1.85 0.02 A 35 ILE HG1x H 1 1.38 0.02 A 35 ILE HG2% H 1 1.06 0.02 A 35 ILE C C 13 178.46 0.05 A 35 ILE CA C 13 64.73 0.05 A 35 ILE CB C 13 38.15 0.05 A 35 ILE CD1 C 13 13.68 0.05 A 35 ILE CG1 C 13 29.08 0.05 A 35 ILE CG2 C 13 17.72 0.05 A 35 ILE N N 15 116.94 0.05 A 36 THR H H 1 8.03 0.02 A 36 THR HA H 1 3.97 0.02 A 36 THR HB H 1 4.34 0.02 A 36 THR HG2% H 1 1.33 0.02 A 36 THR C C 13 177.12 0.05 A 36 THR CA C 13 66.93 0.05 A 36 THR CB C 13 68.79 0.05 A 36 THR CG2 C 13 22.30 0.05 A 36 THR N N 15 117.55 0.05 A 37 LEU H H 1 8.60 0.02 A 37 LEU HA H 1 4.13 0.02 A 37 LEU HB2 H 1 1.86 0.02 A 37 LEU HB3 H 1 1.44 0.02 A 37 LEU HD1% H 1 0.84 0.02 A 37 LEU HD2% H 1 0.81 0.02 A 37 LEU HG H 1 1.79 0.02 A 37 LEU C C 13 178.52 0.05 A 37 LEU CA C 13 58.14 0.05 A 37 LEU CB C 13 41.36 0.05 A 37 LEU CD1 C 13 25.67 0.05 A 37 LEU CD2 C 13 25.08 0.05 A 37 LEU CG C 13 28.71 0.05 A 37 LEU N N 15 120.49 0.05 A 38 ASP H H 1 8.18 0.02 A 38 ASP HA H 1 4.58 0.02 A 38 ASP HBy H 1 3.09 0.02 A 38 ASP HBx H 1 2.88 0.02 A 38 ASP C C 13 177.69 0.05 A 38 ASP CA C 13 57.16 0.05 A 38 ASP CB C 13 42.37 0.05 A 38 ASP N N 15 120.00 0.05 A 39 LYS H H 1 7.33 0.02 A 39 LYS HA H 1 4.45 0.02 A 39 LYS HB2 H 1 1.96 0.02 A 39 LYS HB3 H 1 2.12 0.02 A 39 LYS HDy H 1 1.78 0.02 A 39 LYS HDx H 1 1.55 0.02 A 39 LYS HE2 H 1 3.13 0.02 A 39 LYS HE3 H 1 3.13 0.02 A 39 LYS HGy H 1 1.72 0.02 A 39 LYS HGx H 1 1.51 0.02 A 39 LYS C C 13 176.36 0.05 A 39 LYS CA C 13 55.47 0.05 A 39 LYS CB C 13 33.13 0.05 A 39 LYS CD C 13 29.00 0.05 A 39 LYS CE C 13 42.55 0.05 A 39 LYS CG C 13 24.88 0.05 A 39 LYS N N 15 113.20 0.05 A 40 TYR H H 1 7.59 0.02 A 40 TYR HA H 1 5.06 0.02 A 40 TYR HB2 H 1 3.15 0.02 A 40 TYR HB3 H 1 3.42 0.02 A 40 TYR HD1 H 1 7.50 0.02 A 40 TYR HD2 H 1 7.50 0.02 A 40 TYR HE1 H 1 6.92 0.02 A 40 TYR HE2 H 1 6.92 0.02 A 40 TYR CA C 13 55.63 0.05 A 40 TYR CB C 13 39.72 0.05 A 40 TYR CD1 C 13 133.65 0.05 A 40 TYR CD2 C 13 133.65 0.05 A 40 TYR CE1 C 13 118.51 0.05 A 40 TYR CE2 C 13 118.51 0.05 A 40 TYR N N 15 124.85 0.05 A 41 PRO HA H 1 4.46 0.02 A 41 PRO HBy H 1 1.89 0.02 A 41 PRO HBx H 1 1.79 0.02 A 41 PRO HDy H 1 3.95 0.02 A 41 PRO HDx H 1 3.07 0.02 A 41 PRO HGy H 1 1.90 0.02 A 41 PRO HGx H 1 1.11 0.02 A 41 PRO CA C 13 64.12 0.05 A 41 PRO CB C 13 30.61 0.05 A 41 PRO CD C 13 50.82 0.05 A 41 PRO CG C 13 26.46 0.05 A 42 HIS H H 1 6.57 0.02 A 42 HIS HA H 1 4.80 0.02 A 42 HIS HB2 H 1 2.75 0.02 A 42 HIS HB3 H 1 3.14 0.02 A 42 HIS HD2 H 1 6.92 0.02 A 42 HIS C C 13 173.65 0.05 A 42 HIS CA C 13 53.83 0.05 A 42 HIS CB C 13 32.71 0.05 A 42 HIS CD2 C 13 118.96 0.05 A 42 HIS N N 15 116.11 0.05 A 43 LYS H H 1 8.92 0.02 A 43 LYS HA H 1 4.38 0.02 A 43 LYS HBy H 1 1.96 0.02 A 43 LYS HBx H 1 1.89 0.02 A 43 LYS HD2 H 1 1.78 0.02 A 43 LYS HD3 H 1 1.78 0.02 A 43 LYS HE2 H 1 3.22 0.02 A 43 LYS HE3 H 1 3.22 0.02 A 43 LYS HGy H 1 1.54 0.02 A 43 LYS HGx H 1 1.47 0.02 A 43 LYS C C 13 176.45 0.05 A 43 LYS CA C 13 56.76 0.05 A 43 LYS CB C 13 33.07 0.05 A 43 LYS CD C 13 29.67 0.05 A 43 LYS CE C 13 42.19 0.05 A 43 LYS CG C 13 25.30 0.05 A 43 LYS N N 15 123.21 0.05 A 44 ILE H H 1 9.10 0.02 A 44 ILE HA H 1 4.41 0.02 A 44 ILE HB H 1 2.01 0.02 A 44 ILE HD1% H 1 0.82 0.02 A 44 ILE HG12 H 1 1.55 0.02 A 44 ILE HG13 H 1 1.69 0.02 A 44 ILE HG2% H 1 0.98 0.02 A 44 ILE C C 13 176.49 0.05 A 44 ILE CA C 13 59.72 0.05 A 44 ILE CB C 13 37.21 0.05 A 44 ILE CD1 C 13 11.32 0.05 A 44 ILE CG1 C 13 27.17 0.05 A 44 ILE CG2 C 13 18.48 0.05 A 44 ILE N N 15 129.79 0.05 A 45 LYS H H 1 9.19 0.02 A 45 LYS HA H 1 4.60 0.02 A 45 LYS HB2 H 1 2.03 0.02 A 45 LYS HB3 H 1 2.05 0.02 A 45 LYS HD2 H 1 1.78 0.02 A 45 LYS HD3 H 1 1.78 0.02 A 45 LYS HE2 H 1 3.15 0.02 A 45 LYS HE3 H 1 3.15 0.02 A 45 LYS HG2 H 1 1.59 0.02 A 45 LYS HG3 H 1 1.59 0.02 A 45 LYS C C 13 175.61 0.05 A 45 LYS CA C 13 56.30 0.05 A 45 LYS CB C 13 33.47 0.05 A 45 LYS CD C 13 28.93 0.05 A 45 LYS CE C 13 42.66 0.05 A 45 LYS CG C 13 24.79 0.05 A 45 LYS N N 15 125.11 0.05 A 46 SER H H 1 7.55 0.02 A 46 SER HA H 1 4.65 0.02 A 46 SER HB2 H 1 4.34 0.02 A 46 SER HB3 H 1 4.14 0.02 A 46 SER C C 13 174.03 0.05 A 46 SER CA C 13 57.43 0.05 A 46 SER CB C 13 65.91 0.05 A 46 SER N N 15 110.39 0.05 A 47 GLY H H 1 10.09 0.02 A 47 GLY HA2 H 1 4.12 0.02 A 47 GLY HA3 H 1 3.66 0.02 A 47 GLY C C 13 175.59 0.05 A 47 GLY CA C 13 47.64 0.05 A 47 GLY N N 15 112.38 0.05 A 48 ALA H H 1 8.56 0.02 A 48 ALA HA H 1 4.04 0.02 A 48 ALA HB% H 1 1.53 0.02 A 48 ALA C C 13 180.59 0.05 A 48 ALA CA C 13 55.22 0.05 A 48 ALA CB C 13 18.10 0.05 A 48 ALA N N 15 123.22 0.05 A 49 GLU H H 1 7.64 0.02 A 49 GLU HA H 1 4.07 0.02 A 49 GLU HB2 H 1 2.29 0.02 A 49 GLU HB3 H 1 2.24 0.02 A 49 GLU HG2 H 1 2.47 0.02 A 49 GLU HG3 H 1 2.47 0.02 A 49 GLU C C 13 178.86 0.05 A 49 GLU CA C 13 58.68 0.05 A 49 GLU CB C 13 30.33 0.05 A 49 GLU CG C 13 36.77 0.05 A 49 GLU N N 15 116.28 0.05 A 50 ALA H H 1 7.52 0.02 A 50 ALA HA H 1 4.01 0.02 A 50 ALA HB% H 1 1.51 0.02 A 50 ALA C C 13 177.52 0.05 A 50 ALA CA C 13 54.08 0.05 A 50 ALA CB C 13 18.88 0.05 A 50 ALA N N 15 120.33 0.05 A 51 LYS H H 1 7.79 0.02 A 51 LYS HA H 1 4.08 0.02 A 51 LYS HB2 H 1 1.90 0.02 A 51 LYS HB3 H 1 1.90 0.02 A 51 LYS HD2 H 1 1.71 0.02 A 51 LYS HD3 H 1 1.71 0.02 A 51 LYS HE2 H 1 2.98 0.02 A 51 LYS HE3 H 1 2.98 0.02 A 51 LYS HG2 H 1 1.58 0.02 A 51 LYS HG3 H 1 1.58 0.02 A 51 LYS C C 13 176.38 0.05 A 51 LYS CA C 13 57.94 0.05 A 51 LYS CB C 13 32.31 0.05 A 51 LYS CD C 13 29.36 0.05 A 51 LYS CE C 13 42.18 0.05 A 51 LYS CG C 13 25.19 0.05 A 51 LYS N N 15 113.88 0.05 A 52 LYS H H 1 7.11 0.02 A 52 LYS HA H 1 4.30 0.02 A 52 LYS HB2 H 1 1.85 0.02 A 52 LYS HB3 H 1 2.05 0.02 A 52 LYS HD2 H 1 1.77 0.02 A 52 LYS HD3 H 1 1.77 0.02 A 52 LYS HE2 H 1 3.11 0.02 A 52 LYS HE3 H 1 3.11 0.02 A 52 LYS HGy H 1 1.62 0.02 A 52 LYS HGx H 1 1.59 0.02 A 52 LYS C C 13 176.82 0.05 A 52 LYS CA C 13 56.60 0.05 A 52 LYS CB C 13 32.45 0.05 A 52 LYS CD C 13 29.12 0.05 A 52 LYS CE C 13 42.14 0.05 A 52 LYS CG C 13 25.05 0.05 A 52 LYS N N 15 115.44 0.05 A 53 LEU H H 1 7.77 0.02 A 53 LEU HA H 1 4.56 0.02 A 53 LEU HB2 H 1 1.94 0.02 A 53 LEU HB3 H 1 1.23 0.02 A 53 LEU HD1% H 1 0.46 0.02 A 53 LEU HD2% H 1 0.50 0.02 A 53 LEU HG H 1 1.56 0.02 A 53 LEU CA C 13 52.76 0.05 A 53 LEU CB C 13 40.19 0.05 A 53 LEU CD1 C 13 24.88 0.05 A 53 LEU CD2 C 13 22.60 0.05 A 53 LEU CG C 13 27.24 0.05 A 53 LEU N N 15 122.31 0.05 A 54 PRO HA H 1 4.36 0.02 A 54 PRO HBy H 1 2.37 0.02 A 54 PRO HBx H 1 2.04 0.02 A 54 PRO HDy H 1 4.01 0.02 A 54 PRO HDx H 1 3.63 0.02 A 54 PRO HGy H 1 2.26 0.02 A 54 PRO HGx H 1 2.12 0.02 A 54 PRO CA C 13 63.59 0.05 A 54 PRO CB C 13 31.61 0.05 A 54 PRO CD C 13 50.35 0.05 A 54 PRO CG C 13 27.95 0.05 A 55 GLY H H 1 8.53 0.02 A 55 GLY HA2 H 1 4.16 0.02 A 55 GLY HA3 H 1 3.75 0.02 A 55 GLY C C 13 174.20 0.05 A 55 GLY CA C 13 45.50 0.05 A 55 GLY N N 15 109.56 0.05 A 56 VAL H H 1 7.43 0.02 A 56 VAL HA H 1 3.99 0.02 A 56 VAL HB H 1 2.33 0.02 A 56 VAL HG1% H 1 0.78 0.02 A 56 VAL HG2% H 1 0.79 0.02 A 56 VAL C C 13 175.17 0.05 A 56 VAL CA C 13 63.08 0.05 A 56 VAL CB C 13 30.95 0.05 A 56 VAL CG1 C 13 21.53 0.05 A 56 VAL CG2 C 13 21.39 0.05 A 56 VAL N N 15 121.04 0.05 A 57 GLY H H 1 7.83 0.02 A 57 GLY HA2 H 1 4.45 0.02 A 57 GLY HA3 H 1 3.99 0.02 A 57 GLY CA C 13 44.32 0.05 A 57 GLY N N 15 112.39 0.05 A 58 THR HA H 1 3.82 0.02 A 58 THR HB H 1 4.20 0.02 A 58 THR HG2% H 1 1.32 0.02 A 58 THR C C 13 176.14 0.05 A 58 THR CA C 13 66.87 0.05 A 58 THR CB C 13 68.77 0.05 A 58 THR CG2 C 13 22.13 0.05 A 59 LYS H H 1 8.60 0.02 A 59 LYS HA H 1 4.16 0.02 A 59 LYS HBy H 1 1.90 0.02 A 59 LYS HBx H 1 1.80 0.02 A 59 LYS HD2 H 1 1.70 0.02 A 59 LYS HD3 H 1 1.70 0.02 A 59 LYS HE2 H 1 2.96 0.02 A 59 LYS HE3 H 1 2.96 0.02 A 59 LYS HGy H 1 1.55 0.02 A 59 LYS HGx H 1 1.43 0.02 A 59 LYS C C 13 178.90 0.05 A 59 LYS CA C 13 59.32 0.05 A 59 LYS CB C 13 31.83 0.05 A 59 LYS CD C 13 29.22 0.05 A 59 LYS CE C 13 42.22 0.05 A 59 LYS CG C 13 24.86 0.05 A 59 LYS N N 15 120.49 0.05 A 60 ILE H H 1 7.33 0.02 A 60 ILE HA H 1 3.74 0.02 A 60 ILE HB H 1 2.10 0.02 A 60 ILE HD1% H 1 0.46 0.02 A 60 ILE HG1y H 1 1.42 0.02 A 60 ILE HG1x H 1 1.32 0.02 A 60 ILE HG2% H 1 0.90 0.02 A 60 ILE C C 13 177.70 0.05 A 60 ILE CA C 13 63.14 0.05 A 60 ILE CB C 13 35.79 0.05 A 60 ILE CD1 C 13 11.28 0.05 A 60 ILE CG1 C 13 28.93 0.05 A 60 ILE CG2 C 13 18.78 0.05 A 60 ILE N N 15 117.92 0.05 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 5 GLY H A 2 THR HG2% 1.0 0.0 4.8 2 2 A 23 ASN HD21 A 21 VAL HG2% 1.0 0.0 4.3 3 3 A 23 ASN HD21 A 18 ALA HB% 1.0 0.0 4.8 4 4 A 23 ASN HD21 A 26 ASP HB2 1.0 0.0 4.8 5 4 A 23 ASN HD21 A 26 ASP HB3 1.0 0.0 4.8 6 5 A 27 ALA HB% A 31 TYR HD2 1.0 0.0 4.8 7 6 A 27 ALA HB% A 31 TYR HE2 1.0 0.0 4.3 8 7 A 40 TYR HD2 A 44 ILE HD1% 1.0 0.0 4.8 9 8 A 44 ILE HD1% A 40 TYR HE2 1.0 0.0 4.3 10 9 A 53 LEU HB2 A 56 VAL HG2% 1.0 0.0 4.3 11 10 A 40 TYR HD2 A 4 ASN HD22 1.0 0.0 3.5 12 11 A 4 ASN HD22 A 43 LYS HA 1.0 0.0 4.0 13 12 A 4 ASN HD22 A 44 ILE H 1.0 0.0 3.5 14 13 A 4 ASN HD22 A 44 ILE HG13 1.0 0.0 3.5 15 14 A 7 LEU HB3 A 37 LEU HD1% 1.0 0.0 4.8 16 15 A 37 LEU HD1% A 7 LEU HB2 1.0 0.0 4.8 17 16 A 7 LEU HD2% A 67 PHE HBy 1.0 0.0 4.3 18 17 A 8 VAL HG1% A 34 ALA HB% 1.0 0.0 4.3 19 18 A 8 VAL HG1% A 38 ASP HBy 1.0 0.0 4.3 20 19 A 8 VAL HG2% A 34 ALA HA 1.0 0.0 4.0 21 20 A 10 MET HE% A 64 ILE HA 1.0 0.0 3.5 22 21 A 10 MET HE% A 67 PHE HDy 1.0 0.0 4.3 23 22 A 34 ALA HB% A 12 LYS H 1.0 0.0 4.8 24 23 A 14 GLU HB2 A 30 TYR HD2 1.0 0.0 4.5 25 24 A 15 GLY H A 30 TYR HB2 1.0 0.0 4.3 26 24 A 15 GLY H A 30 TYR HB3 1.0 0.0 4.3 27 25 A 15 GLY H A 30 TYR HD1 1.0 0.0 4.5 28 26 A 30 TYR HD1 A 15 GLY HA3 1.0 0.0 4.5 29 27 A 30 TYR HD1 A 15 GLY HA2 1.0 0.0 4.0 30 28 A 27 ALA HA A 15 GLY HA3 1.0 0.0 4.0 31 29 A 27 ALA HA A 15 GLY HA2 1.0 0.0 3.5 32 30 A 16 ASN H A 31 TYR HE1 1.0 0.0 4.0 33 31 A 27 ALA HA A 18 ALA H 1.0 0.0 4.5 34 32 A 18 ALA HB% A 26 ASP HB2 1.0 0.0 4.3 35 32 A 18 ALA HB% A 26 ASP HB3 1.0 0.0 4.3 36 33 A 18 ALA HB% A 27 ALA HA 1.0 0.0 4.0 37 34 A 27 ALA HB% A 19 LEU H 1.0 0.0 4.3 38 35 A 18 ALA HB% A 26 ASP H 1.0 0.0 4.8 39 36 A 29 GLN HB3 A 60 ILE HD1% 1.0 0.0 5.3 40 37 A 60 ILE HD1% A 30 TYR H 1.0 0.0 4.8 41 38 A 30 TYR HD1 A 15 GLY HA2 1.0 0.0 4.5 42 39 A 18 ALA HB% A 30 TYR HD1 1.0 0.0 4.3 43 40 A 30 TYR HD2 A 60 ILE HD1% 1.0 0.0 4.8 44 41 A 30 TYR HD2 A 11 LEU HD2% 1.0 0.0 4.3 45 42 A 30 TYR HE2 A 60 ILE HA 1.0 0.0 4.0 46 43 A 60 ILE HD1% A 30 TYR HE2 1.0 0.0 4.8 47 44 A 11 LEU HD2% A 30 TYR HE2 1.0 0.0 4.8 48 45 A 18 ALA HB% A 30 TYR HE1 1.0 0.0 4.3 49 46 A 60 ILE HD1% A 30 TYR HE2 1.0 0.0 4.8 50 47 A 31 TYR H A 15 GLY HA2 1.0 0.0 4.8 51 47 A 31 TYR H A 15 GLY HA3 1.0 0.0 4.8 52 48 A 60 ILE HD1% A 33 ALA HB% 1.0 0.0 5.0 53 49 A 34 ALA H A 11 LEU HD1% 1.0 0.0 4.8 54 50 A 34 ALA HB% A 8 VAL HA 1.0 0.0 4.3 55 51 A 37 LEU HD1% A 4 ASN HB3 1.0 0.0 4.8 56 52 A 37 LEU HD1% A 8 VAL HA 1.0 0.0 4.8 57 53 A 37 LEU HD2% A 53 LEU HD1% 1.0 0.0 4.3 58 54 A 8 VAL HG2% A 38 ASP H 1.0 0.0 4.3 59 55 A 40 TYR HB2 A 53 LEU HD2% 1.0 0.0 4.3 60 56 A 40 TYR HD2 A 53 LEU HD1% 1.0 0.0 4.8 61 57 A 53 LEU HD2% A 40 TYR HD1 1.0 0.0 4.8 62 58 A 53 LEU HD2% A 40 TYR HE1 1.0 0.0 4.3 63 59 A 42 HIS H A 3 LEU HD1% 1.0 0.0 4.8 64 60 A 43 LYS H A 3 LEU HD2% 1.0 0.0 4.8 65 61 A 44 ILE HG2% A 50 ALA HA 1.0 0.0 4.8 66 62 A 44 ILE HD1% A 50 ALA HA 1.0 0.0 4.0 67 63 A 44 ILE HD1% A 53 LEU HD1% 1.0 0.0 4.3 68 64 A 46 SER H A 68 LEU HD11 1.0 0.0 4.8 69 65 A 46 SER H A 64 ILE HG21 1.0 0.0 5.8 70 66 A 64 ILE HG21 A 47 GLY H 1.0 0.0 4.8 71 67 A 68 LEU HD11 A 47 GLY H 1.0 0.0 5.3 72 68 A 64 ILE HG21 A 47 GLY HA3 1.0 0.0 4.3 73 69 A 64 ILE HG21 A 47 GLY HA2 1.0 0.0 4.8 74 70 A 64 ILE HB A 47 GLY HA3 1.0 0.0 4.0 75 71 A 64 ILE HB A 47 GLY HA2 1.0 0.0 4.0 76 72 A 44 ILE HD1% A 50 ALA H 1.0 0.0 5.3 77 73 A 64 ILE HG21 A 50 ALA H 1.0 0.0 5.3 78 74 A 50 ALA H A 64 ILE HD11 1.0 0.0 5.3 79 75 A 53 LEU HB3 A 36 THR HG2% 1.0 0.0 4.8 80 76 A 33 ALA HB% A 60 ILE HG2% 1.0 0.0 4.3 81 77 A 30 TYR HD2 A 60 ILE HG2% 1.0 0.0 4.3 82 78 A 60 ILE HD1% A 30 TYR HA 1.0 0.0 4.3 83 79 A 7 LEU HD2% A 64 ILE HA 1.0 0.0 4.3 84 80 A 64 ILE HG21 A 50 ALA HB% 1.0 0.0 4.3 85 81 A 64 ILE HD11 A 50 ALA HB% 1.0 0.0 4.3 86 82 A 64 ILE HD11 A 47 GLY HA2 1.0 0.0 4.8 87 83 A 65 ASP H A 47 GLY HA2 1.0 0.0 4.8 88 83 A 65 ASP H A 47 GLY HA3 1.0 0.0 4.8 89 84 A 10 MET HE% A 67 PHE H 1.0 0.0 4.8 90 85 A 67 PHE HDx A 7 LEU HD1% 1.0 0.0 4.3 91 86 A 7 LEU HD2% A 67 PHE HDx 1.0 0.0 3.5 92 87 A 67 PHE HZ A 6 ALA HB% 1.0 0.0 3.5 93 88 A 68 LEU HD11 A 45 LYS HA 1.0 0.0 4.0 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _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 5 GLY H A 2 THR HG2% 1.0 0.0 4.8 2 2 A 23 ASN HD21 A 21 VAL HG2% 1.0 0.0 4.3 3 3 A 23 ASN HD21 A 18 ALA HB% 1.0 0.0 4.8 4 4 A 23 ASN HD21 A 26 ASP HB2 1.0 0.0 4.8 5 4 A 23 ASN HD21 A 26 ASP HB3 1.0 0.0 4.8 6 5 A 27 ALA HB% A 31 TYR HD2 1.0 0.0 4.8 7 6 A 27 ALA HB% A 31 TYR HE2 1.0 0.0 4.3 8 7 A 40 TYR HD2 A 44 ILE HD1% 1.0 0.0 4.8 9 8 A 44 ILE HD1% A 40 TYR HE2 1.0 0.0 4.3 10 9 A 53 LEU HB2 A 56 VAL HG2% 1.0 0.0 4.3 11 10 A 40 TYR HD2 A 4 ASN HD22 1.0 0.0 3.5 12 11 A 4 ASN HD22 A 43 LYS HA 1.0 0.0 4.0 13 12 A 4 ASN HD22 A 44 ILE H 1.0 0.0 3.5 14 13 A 4 ASN HD22 A 44 ILE HG13 1.0 0.0 3.5 15 14 A 7 LEU HB3 A 37 LEU HD1% 1.0 0.0 4.8 16 15 A 37 LEU HD1% A 7 LEU HB2 1.0 0.0 4.8 17 16 A 7 LEU HD2% A 67 PHE HBy 1.0 0.0 4.3 18 17 A 8 VAL HG1% A 34 ALA HB% 1.0 0.0 4.3 19 18 A 8 VAL HG1% A 38 ASP HBy 1.0 0.0 4.3 20 19 A 8 VAL HG2% A 34 ALA HA 1.0 0.0 4.0 21 20 A 10 MET HE% A 64 ILE HA 1.0 0.0 3.5 22 21 A 10 MET HE% A 67 PHE HDy 1.0 0.0 4.3 23 22 A 34 ALA HB% A 12 LYS H 1.0 0.0 4.8 24 23 A 14 GLU HB2 A 30 TYR HD2 1.0 0.0 4.5 25 24 A 15 GLY H A 30 TYR HB2 1.0 0.0 4.3 26 24 A 15 GLY H A 30 TYR HB3 1.0 0.0 4.3 27 25 A 15 GLY H A 30 TYR HD1 1.0 0.0 4.5 28 26 A 30 TYR HD1 A 15 GLY HA3 1.0 0.0 4.5 29 27 A 30 TYR HD1 A 15 GLY HA2 1.0 0.0 4.0 30 28 A 27 ALA HA A 15 GLY HA3 1.0 0.0 4.0 31 29 A 27 ALA HA A 15 GLY HA2 1.0 0.0 3.5 32 30 A 16 ASN H A 31 TYR HE1 1.0 0.0 4.0 33 31 A 27 ALA HA A 18 ALA H 1.0 0.0 4.5 34 32 A 18 ALA HB% A 26 ASP HB2 1.0 0.0 4.3 35 32 A 18 ALA HB% A 26 ASP HB3 1.0 0.0 4.3 36 33 A 18 ALA HB% A 27 ALA HA 1.0 0.0 4.0 37 34 A 27 ALA HB% A 19 LEU H 1.0 0.0 4.3 38 35 A 18 ALA HB% A 26 ASP H 1.0 0.0 4.8 39 36 A 29 GLN HB3 A 60 ILE HD1% 1.0 0.0 5.3 40 37 A 60 ILE HD1% A 30 TYR H 1.0 0.0 4.8 41 38 A 30 TYR HD1 A 15 GLY HA2 1.0 0.0 4.5 42 39 A 18 ALA HB% A 30 TYR HD1 1.0 0.0 4.3 43 40 A 30 TYR HD2 A 60 ILE HD1% 1.0 0.0 4.8 44 41 A 30 TYR HD2 A 11 LEU HD2% 1.0 0.0 4.3 45 42 A 30 TYR HE2 A 60 ILE HA 1.0 0.0 4.0 46 43 A 60 ILE HD1% A 30 TYR HE2 1.0 0.0 4.8 47 44 A 11 LEU HD2% A 30 TYR HE2 1.0 0.0 4.8 48 45 A 18 ALA HB% A 30 TYR HE1 1.0 0.0 4.3 49 46 A 60 ILE HD1% A 30 TYR HE2 1.0 0.0 4.8 50 47 A 31 TYR H A 15 GLY HA2 1.0 0.0 4.8 51 47 A 31 TYR H A 15 GLY HA3 1.0 0.0 4.8 52 48 A 60 ILE HD1% A 33 ALA HB% 1.0 0.0 5.0 53 49 A 34 ALA H A 11 LEU HD1% 1.0 0.0 4.8 54 50 A 34 ALA HB% A 8 VAL HA 1.0 0.0 4.3 55 51 A 37 LEU HD1% A 4 ASN HB3 1.0 0.0 4.8 56 52 A 37 LEU HD1% A 8 VAL HA 1.0 0.0 4.8 57 53 A 37 LEU HD2% A 53 LEU HD1% 1.0 0.0 4.3 58 54 A 8 VAL HG2% A 38 ASP H 1.0 0.0 4.3 59 55 A 40 TYR HB2 A 53 LEU HD2% 1.0 0.0 4.3 60 56 A 40 TYR HD2 A 53 LEU HD1% 1.0 0.0 4.8 61 57 A 53 LEU HD2% A 40 TYR HD1 1.0 0.0 4.8 62 58 A 53 LEU HD2% A 40 TYR HE1 1.0 0.0 4.3 63 59 A 42 HIS H A 3 LEU HD1% 1.0 0.0 4.8 64 60 A 43 LYS H A 3 LEU HD2% 1.0 0.0 4.8 65 61 A 44 ILE HG2% A 50 ALA HA 1.0 0.0 4.8 66 62 A 44 ILE HD1% A 50 ALA HA 1.0 0.0 4.0 67 63 A 44 ILE HD1% A 53 LEU HD1% 1.0 0.0 4.3 68 64 A 46 SER H A 68 LEU HD11 1.0 0.0 4.8 69 65 A 46 SER H A 64 ILE HG21 1.0 0.0 5.8 70 66 A 64 ILE HG21 A 47 GLY H 1.0 0.0 4.8 71 67 A 68 LEU HD11 A 47 GLY H 1.0 0.0 5.3 72 68 A 64 ILE HG21 A 47 GLY HA3 1.0 0.0 4.3 73 69 A 64 ILE HG21 A 47 GLY HA2 1.0 0.0 4.8 74 70 A 64 ILE HB A 47 GLY HA3 1.0 0.0 4.0 75 71 A 64 ILE HB A 47 GLY HA2 1.0 0.0 4.0 76 72 A 44 ILE HD1% A 50 ALA H 1.0 0.0 5.3 77 73 A 64 ILE HG21 A 50 ALA H 1.0 0.0 5.3 78 74 A 50 ALA H A 64 ILE HD11 1.0 0.0 5.3 79 75 A 53 LEU HB3 A 36 THR HG2% 1.0 0.0 4.8 80 76 A 33 ALA HB% A 60 ILE HG2% 1.0 0.0 4.3 81 77 A 30 TYR HD2 A 60 ILE HG2% 1.0 0.0 4.3 82 78 A 60 ILE HD1% A 30 TYR HA 1.0 0.0 4.3 83 79 A 7 LEU HD2% A 64 ILE HA 1.0 0.0 4.3 84 80 A 64 ILE HG21 A 50 ALA HB% 1.0 0.0 4.3 85 81 A 64 ILE HD11 A 50 ALA HB% 1.0 0.0 4.3 86 82 A 64 ILE HD11 A 47 GLY HA2 1.0 0.0 4.8 87 83 A 65 ASP H A 47 GLY HA2 1.0 0.0 4.8 88 83 A 65 ASP H A 47 GLY HA3 1.0 0.0 4.8 89 84 A 10 MET HE% A 67 PHE H 1.0 0.0 4.8 90 85 A 67 PHE HDx A 7 LEU HD1% 1.0 0.0 4.3 91 86 A 7 LEU HD2% A 67 PHE HDx 1.0 0.0 3.5 92 87 A 67 PHE HZ A 6 ALA HB% 1.0 0.0 3.5 93 88 A 68 LEU HD11 A 45 LYS HA 1.0 0.0 4.0 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _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 5 GLY H A 2 THR O 1.0 1.8 2.6 2 2 A 8 VAL H A 4 ASN O 1.0 1.8 2.6 3 3 A 9 ASN H A 5 GLY O 1.0 1.8 2.6 4 4 A 10 MET H A 6 ALA O 1.0 1.8 2.6 5 5 A 11 LEU H A 7 LEU O 1.0 1.8 2.6 6 6 A 12 LYS H A 8 VAL O 1.0 1.8 2.6 7 7 A 13 GLU H A 9 ASN O 1.0 1.8 2.6 8 8 A 14 GLU H A 10 MET O 1.0 1.8 2.6 9 9 A 15 GLY H A 11 LEU O 1.0 1.8 2.6 10 10 A 16 ASN H A 12 LYS O 1.0 1.8 2.6 11 11 A 17 LYS H A 13 GLU O 1.0 1.8 2.6 12 12 A 18 ALA H A 14 GLU O 1.0 1.8 2.6 13 13 A 19 LEU H A 15 GLY O 1.0 1.8 2.6 14 14 A 20 SER H A 16 ASN O 1.0 1.8 2.6 15 15 A 21 VAL H A 17 LYS O 1.0 1.8 2.6 16 16 A 22 GLY H A 19 LEU O 1.0 1.8 2.6 17 17 A 23 ASN H A 18 ALA O 1.0 1.8 2.6 18 18 A 27 ALA H A 23 ASN O 1.0 1.8 2.6 19 19 A 28 LEU H A 24 ILE O 1.0 1.8 2.6 20 20 A 29 GLN H A 25 ASP O 1.0 1.8 2.6 21 21 A 30 TYR H A 26 ASP O 1.0 1.8 2.6 22 22 A 31 TYR H A 27 ALA O 1.0 1.8 2.6 23 23 A 32 ALA H A 28 LEU O 1.0 1.8 2.6 24 24 A 33 ALA H A 29 GLN O 1.0 1.8 2.6 25 25 A 34 ALA H A 30 TYR O 1.0 1.8 2.6 26 26 A 35 ILE H A 31 TYR O 1.0 1.8 2.6 27 27 A 36 THR H A 32 ALA O 1.0 1.8 2.6 28 28 A 37 LEU H A 33 ALA O 1.0 1.8 2.6 29 29 A 38 ASP H A 34 ALA O 1.0 1.8 2.6 30 30 A 39 LYS H A 35 ILE O 1.0 1.8 2.6 31 31 A 40 TYR H A 36 THR O 1.0 1.8 2.6 32 32 A 51 LYS H A 47 GLY O 1.0 1.8 2.6 33 33 A 52 LYS H A 49 GLU O 1.0 1.8 2.6 34 34 A 53 LEU H A 50 ALA O 1.0 1.8 2.6 35 35 A 56 VAL H A 53 LEU O 1.0 1.8 2.6 36 36 A 61 ALA H A 57 GLY O 1.0 1.8 2.6 37 37 A 62 GLU H A 58 THR O 1.0 1.8 2.6 38 38 A 63 LYS H A 59 LYS O 1.0 1.8 2.6 39 39 A 64 ILE H A 60 ILE O 1.0 1.8 2.6 40 40 A 65 ASP H A 61 ALA O 1.0 1.8 2.6 41 41 A 66 GLU H A 62 GLU O 1.0 1.8 2.6 42 42 A 67 PHE H A 63 LYS O 1.0 1.8 2.6 43 43 A 68 LEU H A 64 ILE O 1.0 1.8 2.6 44 44 A 69 ALA H A 65 ASP O 1.0 1.8 2.6 45 45 A 70 THR H A 66 GLU O 1.0 1.8 2.6 46 46 A 4 ASN HD21 A 37 LEU O 1.0 1.8 2.6 47 47 A 4 ASN HD22 A 42 HIS O 1.0 1.8 2.6 48 48 A 26 ASP H A 23 ASN OD1 1.0 1.8 2.6 49 49 A 36 THR HG1 A 54 PRO O 1.0 1.8 2.6 50 50 A 44 ILE H A 4 ASN OD1 1.0 1.8 2.6 51 51 A 47 GLY H A 65 ASP OD1 1.0 1.8 2.6 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 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 5 GLY H A 2 THR O 1.0 1.8 2.6 2 2 A 8 VAL H A 4 ASN O 1.0 1.8 2.6 3 3 A 9 ASN H A 5 GLY O 1.0 1.8 2.6 4 4 A 10 MET H A 6 ALA O 1.0 1.8 2.6 5 5 A 11 LEU H A 7 LEU O 1.0 1.8 2.6 6 6 A 12 LYS H A 8 VAL O 1.0 1.8 2.6 7 7 A 13 GLU H A 9 ASN O 1.0 1.8 2.6 8 8 A 14 GLU H A 10 MET O 1.0 1.8 2.6 9 9 A 15 GLY H A 11 LEU O 1.0 1.8 2.6 10 10 A 16 ASN H A 12 LYS O 1.0 1.8 2.6 11 11 A 17 LYS H A 13 GLU O 1.0 1.8 2.6 12 12 A 18 ALA H A 14 GLU O 1.0 1.8 2.6 13 13 A 19 LEU H A 15 GLY O 1.0 1.8 2.6 14 14 A 20 SER H A 16 ASN O 1.0 1.8 2.6 15 15 A 21 VAL H A 17 LYS O 1.0 1.8 2.6 16 16 A 22 GLY H A 19 LEU O 1.0 1.8 2.6 17 17 A 23 ASN H A 18 ALA O 1.0 1.8 2.6 18 18 A 27 ALA H A 23 ASN O 1.0 1.8 2.6 19 19 A 28 LEU H A 24 ILE O 1.0 1.8 2.6 20 20 A 29 GLN H A 25 ASP O 1.0 1.8 2.6 21 21 A 30 TYR H A 26 ASP O 1.0 1.8 2.6 22 22 A 31 TYR H A 27 ALA O 1.0 1.8 2.6 23 23 A 32 ALA H A 28 LEU O 1.0 1.8 2.6 24 24 A 33 ALA H A 29 GLN O 1.0 1.8 2.6 25 25 A 34 ALA H A 30 TYR O 1.0 1.8 2.6 26 26 A 35 ILE H A 31 TYR O 1.0 1.8 2.6 27 27 A 36 THR H A 32 ALA O 1.0 1.8 2.6 28 28 A 37 LEU H A 33 ALA O 1.0 1.8 2.6 29 29 A 38 ASP H A 34 ALA O 1.0 1.8 2.6 30 30 A 39 LYS H A 35 ILE O 1.0 1.8 2.6 31 31 A 40 TYR H A 36 THR O 1.0 1.8 2.6 32 32 A 51 LYS H A 47 GLY O 1.0 1.8 2.6 33 33 A 52 LYS H A 49 GLU O 1.0 1.8 2.6 34 34 A 53 LEU H A 50 ALA O 1.0 1.8 2.6 35 35 A 56 VAL H A 53 LEU O 1.0 1.8 2.6 36 36 A 61 ALA H A 57 GLY O 1.0 1.8 2.6 37 37 A 62 GLU H A 58 THR O 1.0 1.8 2.6 38 38 A 63 LYS H A 59 LYS O 1.0 1.8 2.6 39 39 A 64 ILE H A 60 ILE O 1.0 1.8 2.6 40 40 A 65 ASP H A 61 ALA O 1.0 1.8 2.6 41 41 A 66 GLU H A 62 GLU O 1.0 1.8 2.6 42 42 A 67 PHE H A 63 LYS O 1.0 1.8 2.6 43 43 A 68 LEU H A 64 ILE O 1.0 1.8 2.6 44 44 A 69 ALA H A 65 ASP O 1.0 1.8 2.6 45 45 A 70 THR H A 66 GLU O 1.0 1.8 2.6 46 46 A 4 ASN HD21 A 37 LEU O 1.0 1.8 2.6 47 47 A 4 ASN HD22 A 42 HIS O 1.0 1.8 2.6 48 48 A 26 ASP H A 23 ASN OD1 1.0 1.8 2.6 49 49 A 36 THR HG1 A 54 PRO O 1.0 1.8 2.6 50 50 A 44 ILE H A 4 ASN OD1 1.0 1.8 2.6 51 51 A 47 GLY H A 65 ASP OD1 1.0 1.8 2.6 stop_ save_