data_nef_c17926_2lj9 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 85 CYS SG 1 94 CYS SG 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 -20 MET start . . 2 A -19 GLY middle . false 3 A -18 SER middle . . 4 A -17 SER middle . . 5 A -16 HIS middle . . 6 A -15 HIS middle . . 7 A -14 HIS middle . . 8 A -13 HIS middle . . 9 A -12 HIS middle . . 10 A -11 HIS middle . . 11 A -10 SER middle . . 12 A -9 SER middle . . 13 A -8 GLY middle . false 14 A -7 LEU middle . . 15 A -6 VAL middle . . 16 A -5 PRO middle . false 17 A -4 ARG middle . . 18 A -3 GLY middle . false 19 A -2 SER middle . . 20 A -1 HIS middle . . 21 A 0 MET middle . . 22 A 1 ALA middle . . 23 A 2 ALA middle . . 24 A 3 PRO middle . false 25 A 4 GLU middle . . 26 A 5 GLY middle . false 27 A 6 GLY middle . false 28 A 7 ILE middle . . 29 A 8 SER middle . . 30 A 9 ASP middle . . 31 A 10 VAL middle . . 32 A 11 VAL middle . . 33 A 12 GLU middle . . 34 A 13 LYS middle . . 35 A 14 SER middle . . 36 A 15 ILE middle . . 37 A 16 LYS middle . . 38 A 17 GLU middle . . 39 A 18 ALA middle . . 40 A 19 GLN middle . . 41 A 20 GLU middle . . 42 A 21 THR middle . . 43 A 22 CYS middle . . 44 A 23 ALA middle . . 45 A 24 GLY middle . false 46 A 25 ASP middle . . 47 A 26 PRO middle . false 48 A 27 VAL middle . . 49 A 28 SER middle . . 50 A 29 GLY middle . false 51 A 30 GLU middle . . 52 A 31 CYS middle . . 53 A 32 VAL middle . . 54 A 33 ALA middle . . 55 A 34 ALA middle . . 56 A 35 TRP middle . . 57 A 36 ASP middle . . 58 A 37 GLU middle . . 59 A 38 VAL middle . . 60 A 39 GLU middle . . 61 A 40 GLU middle . . 62 A 41 LEU middle . . 63 A 42 SER middle . . 64 A 43 ALA middle . . 65 A 44 ALA middle . . 66 A 45 ALA middle . . 67 A 46 SER middle . . 68 A 47 HIS middle . . 69 A 48 ALA middle . . 70 A 49 ARG middle . . 71 A 50 ASP middle . . 72 A 51 LYS middle . . 73 A 52 LYS middle . . 74 A 53 LYS middle . . 75 A 54 ALA middle . . 76 A 55 ASP middle . . 77 A 56 GLY middle . false 78 A 57 SER middle . . 79 A 58 ASP middle . . 80 A 59 PRO middle . false 81 A 60 LEU middle . . 82 A 61 GLU middle . . 83 A 62 GLU middle . . 84 A 63 TYR middle . . 85 A 64 CYS middle -HG . 86 A 65 LYS middle . . 87 A 66 ASP middle . . 88 A 67 ASN middle . . 89 A 68 PRO middle . false 90 A 69 GLU middle . . 91 A 70 THR middle . . 92 A 71 ASN middle . . 93 A 72 GLU middle . . 94 A 73 CYS middle -HG . 95 A 74 ARG middle . . 96 A 75 THR middle . . 97 A 76 TYR middle . . 98 A 77 ASP middle . . 99 A 78 ASN 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 ALA H H 1 8.31 0.02 A 1 ALA HA H 1 4.30 0.02 A 1 ALA HB% H 1 1.38 0.02 A 1 ALA C C 13 176.81 0.15 A 1 ALA CA C 13 52.11 0.08 A 1 ALA CB C 13 19.34 0.08 A 1 ALA N N 15 125.39 0.13 A 2 ALA H H 1 8.33 0.02 A 2 ALA HA H 1 4.59 0.02 A 2 ALA C C 13 175.58 0.15 A 2 ALA CA C 13 50.42 0.08 A 2 ALA CB C 13 18.14 0.08 A 2 ALA N N 15 124.75 0.13 A 3 PRO HA H 1 4.44 0.02 A 3 PRO HBx H 1 2.29 0.02 A 3 PRO HBy H 1 2.29 0.02 A 3 PRO HGx H 1 1.93 0.02 A 3 PRO HGy H 1 1.93 0.02 A 3 PRO C C 13 177.11 0.15 A 3 PRO CA C 13 63.13 0.08 A 3 PRO CB C 13 32.01 0.08 A 3 PRO CG C 13 27.50 0.08 A 4 GLU H H 1 8.66 0.02 A 4 GLU HA H 1 4.27 0.02 A 4 GLU HB2 H 1 2.03 0.02 A 4 GLU HB3 H 1 2.03 0.02 A 4 GLU HG2 H 1 2.32 0.02 A 4 GLU HG3 H 1 2.32 0.02 A 4 GLU C C 13 177.10 0.15 A 4 GLU CA C 13 56.94 0.08 A 4 GLU CB C 13 30.06 0.08 A 4 GLU CG C 13 36.41 0.08 A 4 GLU N N 15 121.31 0.13 A 5 GLY H H 1 8.53 0.02 A 5 GLY HA2 H 1 4.00 0.02 A 5 GLY HA3 H 1 4.00 0.02 A 5 GLY C C 13 174.60 0.15 A 5 GLY CA C 13 45.33 0.08 A 5 GLY N N 15 110.23 0.13 A 6 GLY H H 1 8.30 0.02 A 6 GLY HA2 H 1 3.98 0.02 A 6 GLY HA3 H 1 3.98 0.02 A 6 GLY C C 13 174.06 0.15 A 6 GLY CA C 13 45.17 0.08 A 6 GLY N N 15 108.69 0.13 A 7 ILE H H 1 8.16 0.02 A 7 ILE HA H 1 4.26 0.02 A 7 ILE HB H 1 1.90 0.02 A 7 ILE HG1y H 1 1.47 0.02 A 7 ILE HG1x H 1 1.20 0.02 A 7 ILE HG2% H 1 0.96 0.02 A 7 ILE C C 13 176.25 0.15 A 7 ILE CA C 13 61.17 0.08 A 7 ILE CB C 13 38.87 0.08 A 7 ILE CD1 C 13 12.96 0.08 A 7 ILE CG1 C 13 27.26 0.08 A 7 ILE CG2 C 13 17.74 0.08 A 7 ILE N N 15 119.75 0.13 A 8 SER H H 1 8.46 0.02 A 8 SER HA H 1 4.53 0.02 A 8 SER HB2 H 1 3.91 0.02 A 8 SER HB3 H 1 3.91 0.02 A 8 SER C C 13 174.45 0.15 A 8 SER CA C 13 58.33 0.08 A 8 SER CB C 13 63.95 0.08 A 8 SER N N 15 119.63 0.13 A 13 LYS HA H 1 4.27 0.02 A 13 LYS HB2 H 1 1.83 0.02 A 13 LYS HB3 H 1 1.83 0.02 A 13 LYS HG2 H 1 1.47 0.02 A 13 LYS HG3 H 1 1.47 0.02 A 13 LYS C C 13 176.97 0.15 A 13 LYS CA C 13 56.90 0.08 A 13 LYS CB C 13 33.07 0.08 A 13 LYS CG C 13 25.03 0.08 A 14 SER H H 1 8.39 0.02 A 14 SER HA H 1 4.45 0.02 A 14 SER HB2 H 1 3.92 0.02 A 14 SER HB3 H 1 3.92 0.02 A 14 SER C C 13 174.97 0.15 A 14 SER CA C 13 58.54 0.08 A 14 SER CB C 13 63.67 0.08 A 14 SER N N 15 117.05 0.13 A 17 GLU C C 13 175.42 0.15 A 17 GLU CA C 13 55.24 0.08 A 17 GLU CB C 13 32.99 0.08 A 18 ALA H H 1 8.37 0.02 A 18 ALA N N 15 125.78 0.13 A 19 GLN HB2 H 1 2.19 0.02 A 19 GLN HB3 H 1 2.19 0.02 A 19 GLN HE21 H 1 6.90 0.02 A 19 GLN HE22 H 1 7.53 0.02 A 19 GLN HG2 H 1 2.42 0.02 A 19 GLN HG3 H 1 2.42 0.02 A 19 GLN CD C 13 180.30 0.15 A 19 GLN CG C 13 33.87 0.08 A 19 GLN NE2 N 15 111.77 0.13 A 20 GLU HBy H 1 2.08 0.02 A 20 GLU HBx H 1 1.93 0.02 A 20 GLU C C 13 176.96 0.15 A 20 GLU CA C 13 57.01 0.08 A 20 GLU CB C 13 30.17 0.08 A 20 GLU CG C 13 36.56 0.08 A 21 THR H H 1 8.24 0.02 A 21 THR HA H 1 4.37 0.02 A 21 THR HB H 1 3.87 0.02 A 21 THR C C 13 174.84 0.15 A 21 THR CA C 13 62.54 0.08 A 21 THR CB C 13 69.84 0.08 A 21 THR N N 15 115.00 0.13 A 23 ALA HA H 1 4.47 0.02 A 23 ALA HB% H 1 1.41 0.02 A 23 ALA C C 13 177.41 0.15 A 23 ALA CA C 13 52.41 0.08 A 23 ALA CB C 13 19.90 0.08 A 24 GLY H H 1 8.13 0.02 A 24 GLY HAy H 1 3.99 0.02 A 24 GLY HAx H 1 3.88 0.02 A 24 GLY C C 13 171.93 0.15 A 24 GLY CA C 13 44.67 0.08 A 24 GLY N N 15 108.06 0.13 A 25 ASP H H 1 7.93 0.02 A 25 ASP HA H 1 4.79 0.02 A 25 ASP HB2 H 1 2.58 0.02 A 25 ASP HB3 H 1 2.58 0.02 A 25 ASP CA C 13 51.87 0.08 A 25 ASP CB C 13 42.81 0.08 A 25 ASP N N 15 118.59 0.13 A 27 VAL HA H 1 4.92 0.02 A 27 VAL HB H 1 2.11 0.02 A 27 VAL C C 13 176.35 0.15 A 27 VAL CA C 13 62.70 0.08 A 27 VAL CB C 13 32.61 0.08 A 28 SER H H 1 8.42 0.02 A 28 SER HA H 1 4.52 0.02 A 28 SER HBy H 1 4.04 0.02 A 28 SER HBx H 1 3.91 0.02 A 28 SER C C 13 175.35 0.15 A 28 SER CA C 13 57.77 0.08 A 28 SER CB C 13 64.17 0.08 A 28 SER N N 15 119.87 0.13 A 29 GLY H H 1 8.63 0.02 A 29 GLY C C 13 174.57 0.15 A 29 GLY CA C 13 46.00 0.08 A 29 GLY N N 15 111.27 0.13 A 30 GLU H H 1 8.49 0.02 A 30 GLU CA C 13 56.98 0.08 A 30 GLU CB C 13 29.49 0.08 A 30 GLU N N 15 120.23 0.13 A 35 TRP HA H 1 4.65 0.02 A 35 TRP HBy H 1 3.35 0.02 A 35 TRP HBx H 1 3.25 0.02 A 35 TRP HD1 H 1 7.29 0.02 A 35 TRP HE1 H 1 10.13 0.02 A 35 TRP HE3 H 1 7.61 0.02 A 35 TRP HH2 H 1 7.19 0.02 A 35 TRP HZ2 H 1 7.43 0.02 A 35 TRP HZ3 H 1 7.11 0.02 A 35 TRP NE1 N 15 129.52 0.13 A 41 LEU HA H 1 4.30 0.02 A 41 LEU HB2 H 1 1.69 0.02 A 41 LEU HB3 H 1 1.69 0.02 A 41 LEU HD1% H 1 0.90 0.02 A 41 LEU HD2% H 1 0.90 0.02 A 41 LEU C C 13 178.17 0.15 A 41 LEU CA C 13 55.91 0.08 A 41 LEU CB C 13 42.21 0.08 A 42 SER H H 1 8.31 0.02 A 42 SER HA H 1 4.37 0.02 A 42 SER HB2 H 1 3.93 0.02 A 42 SER HB3 H 1 3.93 0.02 A 42 SER C C 13 175.27 0.15 A 42 SER CA C 13 58.95 0.08 A 42 SER CB C 13 63.67 0.08 A 42 SER N N 15 116.28 0.13 A 45 ALA HA H 1 4.27 0.02 A 45 ALA HB% H 1 1.46 0.02 A 45 ALA C C 13 178.84 0.15 A 45 ALA CA C 13 53.48 0.08 A 45 ALA CB C 13 18.76 0.08 A 46 SER H H 1 8.12 0.02 A 46 SER C C 13 175.13 0.15 A 46 SER CA C 13 59.55 0.08 A 46 SER CB C 13 63.40 0.08 A 46 SER N N 15 114.22 0.13 A 47 HIS HA H 1 4.63 0.02 A 47 HIS HB2 H 1 3.25 0.02 A 47 HIS HB3 H 1 3.25 0.02 A 47 HIS C C 13 175.43 0.15 A 47 HIS CA C 13 56.66 0.08 A 47 HIS CB C 13 29.65 0.08 A 48 ALA H H 1 8.11 0.02 A 48 ALA HA H 1 4.25 0.02 A 48 ALA HB% H 1 1.45 0.02 A 48 ALA C C 13 178.32 0.15 A 48 ALA CA C 13 53.46 0.08 A 48 ALA CB C 13 18.87 0.08 A 48 ALA N N 15 123.60 0.13 A 49 ARG H H 1 8.25 0.02 A 49 ARG HB2 H 1 1.88 0.02 A 49 ARG HB3 H 1 1.88 0.02 A 49 ARG HD2 H 1 3.23 0.02 A 49 ARG HD3 H 1 3.23 0.02 A 49 ARG HE H 1 7.19 0.02 A 49 ARG HG2 H 1 1.67 0.02 A 49 ARG HG3 H 1 1.67 0.02 A 49 ARG CA C 13 56.71 0.08 A 49 ARG CB C 13 30.44 0.08 A 49 ARG CG C 13 27.28 0.08 A 49 ARG CZ C 13 175.12 0.15 A 49 ARG N N 15 119.24 0.13 A 49 ARG NE N 15 84.52 0.13 A 50 ASP H H 1 8.21 0.02 A 50 ASP HA H 1 4.58 0.02 A 50 ASP HB2 H 1 2.71 0.02 A 50 ASP HB3 H 1 2.71 0.02 A 50 ASP C C 13 176.48 0.15 A 50 ASP CA C 13 54.77 0.08 A 50 ASP CB C 13 40.92 0.08 A 50 ASP N N 15 120.56 0.13 A 51 LYS H H 1 8.16 0.02 A 51 LYS HA H 1 4.28 0.02 A 51 LYS HB2 H 1 1.80 0.02 A 51 LYS HB3 H 1 1.80 0.02 A 51 LYS HG2 H 1 1.46 0.02 A 51 LYS HG3 H 1 1.46 0.02 A 51 LYS C C 13 176.64 0.15 A 51 LYS CA C 13 56.55 0.08 A 51 LYS CB C 13 32.79 0.08 A 51 LYS CG C 13 24.83 0.08 A 51 LYS N N 15 121.55 0.13 A 52 LYS H H 1 8.28 0.02 A 52 LYS HA H 1 4.29 0.02 A 52 LYS HB2 H 1 1.82 0.02 A 52 LYS HB3 H 1 1.82 0.02 A 52 LYS HG2 H 1 1.46 0.02 A 52 LYS HG3 H 1 1.46 0.02 A 52 LYS C C 13 176.80 0.15 A 52 LYS CA C 13 56.49 0.08 A 52 LYS CB C 13 32.92 0.08 A 52 LYS CG C 13 24.91 0.08 A 52 LYS N N 15 122.06 0.13 A 53 LYS H H 1 8.38 0.02 A 53 LYS HA H 1 4.29 0.02 A 53 LYS HB2 H 1 1.82 0.02 A 53 LYS HB3 H 1 1.82 0.02 A 53 LYS HG2 H 1 1.47 0.02 A 53 LYS HG3 H 1 1.47 0.02 A 53 LYS C C 13 176.65 0.15 A 53 LYS CB C 13 32.99 0.08 A 53 LYS CG C 13 24.91 0.08 A 53 LYS N N 15 122.69 0.13 A 54 ALA H H 1 8.50 0.02 A 54 ALA HA H 1 4.32 0.02 A 54 ALA HB% H 1 1.42 0.02 A 54 ALA C C 13 177.56 0.15 A 54 ALA CA C 13 52.62 0.08 A 54 ALA CB C 13 19.00 0.08 A 54 ALA N N 15 125.58 0.13 A 55 ASP H H 1 8.32 0.02 A 55 ASP HA H 1 4.60 0.02 A 55 ASP HB2 H 1 2.74 0.02 A 55 ASP HB3 H 1 2.74 0.02 A 55 ASP C C 13 176.95 0.15 A 55 ASP CA C 13 54.24 0.08 A 55 ASP CB C 13 41.07 0.08 A 55 ASP N N 15 119.45 0.13 A 56 GLY H H 1 8.40 0.02 A 56 GLY HAy H 1 4.06 0.02 A 56 GLY HAx H 1 3.94 0.02 A 56 GLY C C 13 174.21 0.15 A 56 GLY CA C 13 45.41 0.08 A 56 GLY N N 15 109.36 0.13 A 57 SER H H 1 8.23 0.02 A 57 SER HA H 1 4.44 0.02 A 57 SER HB2 H 1 3.87 0.02 A 57 SER HB3 H 1 3.87 0.02 A 57 SER C C 13 173.83 0.15 A 57 SER CA C 13 58.50 0.08 A 57 SER CB C 13 64.05 0.08 A 57 SER N N 15 115.72 0.13 A 58 ASP H H 1 8.60 0.02 A 58 ASP HA H 1 4.97 0.02 A 58 ASP HBy H 1 2.87 0.02 A 58 ASP HBx H 1 2.66 0.02 A 58 ASP CA C 13 52.04 0.08 A 58 ASP CB C 13 41.84 0.08 A 58 ASP N N 15 123.58 0.13 A 59 PRO HA H 1 4.44 0.02 A 59 PRO HBy H 1 2.36 0.02 A 59 PRO HBx H 1 2.01 0.02 A 59 PRO C C 13 178.09 0.15 A 59 PRO CA C 13 64.13 0.08 A 59 PRO CB C 13 32.21 0.08 A 59 PRO CG C 13 27.52 0.08 A 60 LEU H H 1 8.43 0.02 A 60 LEU HA H 1 4.34 0.02 A 60 LEU HB2 H 1 1.70 0.02 A 60 LEU HB3 H 1 1.70 0.02 A 60 LEU HD1% H 1 0.85 0.02 A 60 LEU HD2% H 1 0.85 0.02 A 60 LEU C C 13 177.75 0.15 A 60 LEU CA C 13 56.15 0.08 A 60 LEU CB C 13 41.68 0.08 A 60 LEU CDy C 13 24.83 0.08 A 60 LEU CDx C 13 23.93 0.08 A 60 LEU CG C 13 27.05 0.08 A 60 LEU N N 15 120.90 0.13 A 61 GLU H H 1 7.96 0.02 A 61 GLU HA H 1 3.91 0.02 A 61 GLU HB2 H 1 2.11 0.02 A 61 GLU HB3 H 1 2.11 0.02 A 61 GLU C C 13 178.63 0.15 A 61 GLU CA C 13 59.45 0.08 A 61 GLU CB C 13 29.66 0.08 A 61 GLU CG C 13 36.42 0.08 A 61 GLU N N 15 120.39 0.13 A 62 GLU H H 1 8.15 0.02 A 62 GLU HA H 1 4.12 0.02 A 62 GLU HB2 H 1 2.06 0.02 A 62 GLU HB3 H 1 2.06 0.02 A 62 GLU C C 13 178.32 0.15 A 62 GLU CA C 13 56.65 0.08 A 62 GLU CB C 13 29.58 0.08 A 62 GLU CG C 13 36.35 0.08 A 62 GLU N N 15 118.10 0.13 A 63 TYR H H 1 8.08 0.02 A 63 TYR HA H 1 4.29 0.02 A 63 TYR HBy H 1 3.21 0.02 A 63 TYR HBx H 1 3.02 0.02 A 63 TYR HDx H 1 7.06 0.02 A 63 TYR HDy H 1 7.06 0.02 A 63 TYR HEx H 1 6.88 0.02 A 63 TYR HEy H 1 6.88 0.02 A 63 TYR C C 13 178.78 0.15 A 63 TYR CA C 13 61.51 0.08 A 63 TYR CB C 13 38.59 0.08 A 63 TYR N N 15 120.94 0.13 A 64 CYS H H 1 8.81 0.02 A 64 CYS HA H 1 4.54 0.02 A 64 CYS HBy H 1 3.07 0.02 A 64 CYS HBx H 1 2.81 0.02 A 64 CYS C C 13 176.76 0.15 A 64 CYS CA C 13 55.23 0.08 A 64 CYS CB C 13 36.57 0.08 A 64 CYS N N 15 116.40 0.13 A 65 LYS H H 1 7.70 0.02 A 65 LYS HA H 1 4.07 0.02 A 65 LYS HB2 H 1 1.90 0.02 A 65 LYS HB3 H 1 1.90 0.02 A 65 LYS HD2 H 1 1.62 0.02 A 65 LYS HD3 H 1 1.62 0.02 A 65 LYS HG2 H 1 1.44 0.02 A 65 LYS HG3 H 1 1.44 0.02 A 65 LYS C C 13 177.87 0.15 A 65 LYS CA C 13 59.05 0.08 A 65 LYS CB C 13 32.00 0.08 A 65 LYS CG C 13 24.96 0.08 A 65 LYS N N 15 121.42 0.13 A 66 ASP H H 1 7.18 0.02 A 66 ASP HA H 1 4.68 0.02 A 66 ASP HBy H 1 2.67 0.02 A 66 ASP HBx H 1 2.45 0.02 A 66 ASP C C 13 175.74 0.15 A 66 ASP CA C 13 54.99 0.08 A 66 ASP CB C 13 41.97 0.08 A 66 ASP N N 15 116.02 0.13 A 67 ASN H H 1 7.51 0.02 A 67 ASN HA H 1 5.12 0.02 A 67 ASN HBy H 1 2.40 0.02 A 67 ASN HBx H 1 2.03 0.02 A 67 ASN HD2x H 1 6.52 0.02 A 67 ASN HD2y H 1 7.03 0.02 A 67 ASN CA C 13 51.60 0.08 A 67 ASN CB C 13 39.85 0.08 A 67 ASN CG C 13 178.17 0.15 A 67 ASN N N 15 117.17 0.13 A 67 ASN ND2 N 15 118.09 0.13 A 68 PRO HA H 1 4.40 0.02 A 68 PRO HBy H 1 2.35 0.02 A 68 PRO HBx H 1 2.01 0.02 A 68 PRO HDy H 1 3.57 0.02 A 68 PRO HDx H 1 3.36 0.02 A 68 PRO HGy H 1 2.03 0.02 A 68 PRO HGx H 1 1.92 0.02 A 68 PRO C C 13 177.71 0.15 A 68 PRO CA C 13 65.24 0.08 A 68 PRO CB C 13 32.23 0.08 A 68 PRO CD C 13 50.35 0.08 A 68 PRO CG C 13 27.50 0.08 A 69 GLU H H 1 8.74 0.02 A 69 GLU HA H 1 4.39 0.02 A 69 GLU HBy H 1 2.22 0.02 A 69 GLU HBx H 1 1.97 0.02 A 69 GLU HG2 H 1 2.29 0.02 A 69 GLU HG3 H 1 2.29 0.02 A 69 GLU C C 13 177.11 0.15 A 69 GLU CA C 13 56.13 0.08 A 69 GLU CB C 13 28.85 0.08 A 69 GLU CG C 13 36.48 0.08 A 69 GLU N N 15 117.09 0.13 A 70 THR H H 1 7.35 0.02 A 70 THR HA H 1 4.53 0.02 A 70 THR HB H 1 4.34 0.02 A 70 THR HG2% H 1 1.37 0.02 A 70 THR C C 13 176.26 0.15 A 70 THR CA C 13 61.40 0.08 A 70 THR CB C 13 70.90 0.08 A 70 THR CG2 C 13 22.94 0.08 A 70 THR N N 15 111.55 0.13 A 71 ASN H H 1 9.14 0.02 A 71 ASN HA H 1 4.38 0.02 A 71 ASN HB2 H 1 2.86 0.02 A 71 ASN HB3 H 1 2.86 0.02 A 71 ASN HD21 H 1 7.82 0.02 A 71 ASN HD22 H 1 7.05 0.02 A 71 ASN C C 13 177.72 0.15 A 71 ASN CA C 13 56.76 0.08 A 71 ASN CB C 13 38.33 0.08 A 71 ASN CG C 13 176.24 0.15 A 71 ASN N N 15 122.70 0.13 A 71 ASN ND2 N 15 113.35 0.13 A 72 GLU H H 1 9.80 0.02 A 72 GLU HA H 1 4.23 0.02 A 72 GLU HB2 H 1 2.12 0.02 A 72 GLU HB3 H 1 2.12 0.02 A 72 GLU C C 13 176.81 0.15 A 72 GLU CA C 13 58.66 0.08 A 72 GLU CB C 13 28.82 0.08 A 72 GLU CG C 13 36.72 0.08 A 72 GLU N N 15 118.08 0.13 A 73 CYS H H 1 7.69 0.02 A 73 CYS HA H 1 4.84 0.02 A 73 CYS HBy H 1 3.17 0.02 A 73 CYS HBx H 1 2.88 0.02 A 73 CYS C C 13 175.28 0.15 A 73 CYS CA C 13 55.37 0.08 A 73 CYS CB C 13 39.61 0.08 A 73 CYS N N 15 117.02 0.13 A 74 ARG H H 1 7.79 0.02 A 74 ARG HA H 1 4.40 0.02 A 74 ARG HB2 H 1 1.84 0.02 A 74 ARG HB3 H 1 1.84 0.02 A 74 ARG HD2 H 1 3.23 0.02 A 74 ARG HD3 H 1 3.23 0.02 A 74 ARG HE H 1 7.19 0.02 A 74 ARG HG2 H 1 1.68 0.02 A 74 ARG HG3 H 1 1.68 0.02 A 74 ARG C C 13 176.50 0.15 A 74 ARG CA C 13 57.12 0.08 A 74 ARG CB C 13 30.76 0.08 A 74 ARG CG C 13 27.03 0.08 A 74 ARG N N 15 121.93 0.13 A 74 ARG NE N 15 84.52 0.13 A 75 THR H H 1 8.10 0.02 A 75 THR HA H 1 4.34 0.02 A 75 THR HB H 1 4.20 0.02 A 75 THR HG2% H 1 1.15 0.02 A 75 THR C C 13 174.10 0.15 A 75 THR CA C 13 61.72 0.08 A 75 THR CB C 13 69.70 0.08 A 75 THR CG2 C 13 21.48 0.08 A 75 THR N N 15 113.20 0.13 A 76 TYR H H 1 8.06 0.02 A 76 TYR HA H 1 4.59 0.02 A 76 TYR HBy H 1 3.16 0.02 A 76 TYR HBx H 1 2.95 0.02 A 76 TYR HDx H 1 7.14 0.02 A 76 TYR HDy H 1 7.14 0.02 A 76 TYR HEx H 1 6.81 0.02 A 76 TYR HEy H 1 6.81 0.02 A 76 TYR C C 13 175.28 0.15 A 76 TYR CA C 13 57.92 0.08 A 76 TYR CB C 13 39.08 0.08 A 76 TYR N N 15 121.92 0.13 A 77 ASP H H 1 8.31 0.02 A 77 ASP HA H 1 4.63 0.02 A 77 ASP HBy H 1 2.74 0.02 A 77 ASP HBx H 1 2.55 0.02 A 77 ASP C C 13 174.82 0.15 A 77 ASP CA C 13 54.30 0.08 A 77 ASP CB C 13 41.20 0.08 A 77 ASP N N 15 122.13 0.13 A 78 ASN H H 1 7.90 0.02 A 78 ASN HA H 1 4.45 0.02 A 78 ASN HBy H 1 2.74 0.02 A 78 ASN HBx H 1 2.66 0.02 A 78 ASN HD21 H 1 6.83 0.02 A 78 ASN HD22 H 1 7.50 0.02 A 78 ASN CA C 13 54.78 0.08 A 78 ASN CB C 13 40.45 0.08 A 78 ASN CG C 13 178.23 0.15 A 78 ASN N N 15 123.99 0.13 A 78 ASN ND2 N 15 112.68 0.13 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 57 SER H A 57 SER HA 1.0 1.8 3.4 2 2 A 57 SER H A 58 ASP HA 1.0 1.8 3.7 3 3 A 57 SER H A 58 ASP HBy 1.0 1.8 4.2 4 4 A 58 ASP HA A 58 ASP H 1.0 1.8 3.4 5 5 A 58 ASP H A 58 ASP HBx 1.0 1.8 3.2 6 6 A 58 ASP HBy A 58 ASP H 1.0 1.8 3.2 7 7 A 57 SER H A 58 ASP H 1.0 1.8 3.5 8 8 A 57 SER HA A 58 ASP H 1.0 1.8 2.9 9 9 A 58 ASP H A 57 SER HB2 1.0 1.8 4.5 10 9 A 58 ASP H A 57 SER HB3 1.0 1.8 4.5 11 10 A 60 LEU H A 60 LEU HA 1.0 1.8 4.4 12 11 A 60 LEU H A 60 LEU HB2 1.0 1.8 3.8 13 11 A 60 LEU H A 60 LEU HB3 1.0 1.8 3.8 14 12 A 60 LEU H A 60 LEU HD1% 1.0 1.8 6.8 15 12 A 60 LEU H A 60 LEU HD2% 1.0 1.8 6.8 16 13 A 57 SER HA A 60 LEU H 1.0 1.8 3.2 17 13 A 60 LEU H A 59 PRO HA 1.0 1.8 3.2 18 14 A 60 LEU H A 59 PRO HBx 1.0 1.8 4.2 19 15 A 60 LEU H A 59 PRO HBy 1.0 1.8 3.6 20 16 A 60 LEU H A 57 SER HB2 1.0 1.8 4.6 21 16 A 57 SER HB3 A 60 LEU H 1.0 1.8 4.6 22 17 A 58 ASP HA A 60 LEU H 1.0 1.8 4.1 23 18 A 61 GLU H A 61 GLU HA 1.0 1.8 3.4 24 19 A 61 GLU H A 61 GLU HB2 1.0 1.8 4.1 25 19 A 61 GLU H A 61 GLU HB3 1.0 1.8 4.1 26 20 A 61 GLU H A 61 GLU HGx 1.0 1.8 5.4 27 20 A 61 GLU H A 61 GLU HGy 1.0 1.8 5.4 28 21 A 60 LEU H A 61 GLU H 1.0 1.8 3.5 29 22 A 60 LEU HA A 61 GLU H 1.0 1.8 3.7 30 23 A 61 GLU H A 60 LEU HB2 1.0 1.8 5.3 31 23 A 60 LEU HB3 A 61 GLU H 1.0 1.8 5.3 32 24 A 61 GLU H A 60 LEU HG 1.0 1.8 4.0 33 25 A 61 GLU H A 62 GLU H 1.0 1.8 3.8 34 26 A 58 ASP HBy A 61 GLU H 1.0 1.8 4.1 35 26 A 58 ASP HBx A 61 GLU H 1.0 1.8 4.1 36 27 A 62 GLU H A 62 GLU HA 1.0 1.8 3.4 37 28 A 62 GLU H A 62 GLU HB2 1.0 1.8 4.1 38 28 A 62 GLU H A 62 GLU HB3 1.0 1.8 4.1 39 29 A 62 GLU H A 62 GLU HGx 1.0 1.8 4.5 40 29 A 62 GLU H A 62 GLU HGy 1.0 1.8 4.5 41 30 A 61 GLU HA A 62 GLU H 1.0 1.8 3.5 42 31 A 62 GLU H A 63 TYR H 1.0 1.8 3.5 43 32 A 62 GLU H A 64 CYS H 1.0 1.8 4.8 44 33 A 62 GLU H A 60 LEU HB2 1.0 1.8 5.3 45 33 A 60 LEU HB3 A 62 GLU H 1.0 1.8 5.3 46 34 A 62 GLU H A 60 LEU HD1% 1.0 1.8 6.9 47 34 A 60 LEU HD2% A 62 GLU H 1.0 1.8 6.9 48 35 A 60 LEU HA A 63 TYR H 1.0 1.8 3.4 49 35 A 63 TYR H A 63 TYR HA 1.0 1.8 3.4 50 36 A 63 TYR H A 63 TYR HBx 1.0 1.8 3.5 51 37 A 63 TYR H A 63 TYR HBy 1.0 1.8 3.1 52 38 A 63 TYR H A 63 TYR HD% 1.0 1.8 7.7 53 39 A 63 TYR H A 62 GLU HB2 1.0 1.8 4.9 54 39 A 62 GLU HB3 A 63 TYR H 1.0 1.8 4.9 55 40 A 61 GLU HA A 63 TYR H 1.0 1.8 4.0 56 41 A 63 TYR HD% A 64 CYS HA 1.0 1.8 6.9 57 42 A 63 TYR HA A 63 TYR HD% 1.0 1.8 6.2 58 43 A 63 TYR HBx A 63 TYR HD% 1.0 1.8 5.8 59 44 A 63 TYR HBy A 63 TYR HD% 1.0 1.8 5.7 60 45 A 64 CYS H A 63 TYR HD% 1.0 1.8 7.7 61 46 A 64 CYS HA A 63 TYR HE% 1.0 1.8 7.1 62 47 A 62 GLU HA A 63 TYR HE% 1.0 1.8 7.5 63 48 A 63 TYR HE% A 65 LYS HEx 1.0 1.8 7.3 64 48 A 63 TYR HE% A 65 LYS HEy 1.0 1.8 7.3 65 49 A 63 TYR HE% A 66 ASP HBy 1.0 1.8 7.0 66 50 A 63 TYR HE% A 67 ASN HBx 1.0 1.8 6.7 67 51 A 63 TYR HE% A 67 ASN HBy 1.0 1.8 6.9 68 52 A 64 CYS H A 64 CYS HA 1.0 1.8 3.4 69 53 A 64 CYS H A 64 CYS HBx 1.0 1.8 3.6 70 53 A 64 CYS H A 63 TYR HBy 1.0 1.8 3.6 71 54 A 64 CYS H A 64 CYS HBx 1.0 1.8 3.2 72 54 A 64 CYS H A 64 CYS HBy 1.0 1.8 3.2 73 55 A 63 TYR H A 64 CYS H 1.0 1.8 3.5 74 56 A 64 CYS H A 63 TYR HBx 1.0 1.8 4.1 75 57 A 64 CYS H A 63 TYR HBy 1.0 1.8 3.5 76 58 A 64 CYS H A 63 TYR HA 1.0 1.8 3.9 77 59 A 64 CYS H A 60 LEU HB2 1.0 1.8 5.9 78 59 A 64 CYS H A 65 LYS HD2 1.0 1.8 5.9 79 59 A 60 LEU HB3 A 64 CYS H 1.0 1.8 5.9 80 59 A 64 CYS H A 65 LYS HD3 1.0 1.8 5.9 81 60 A 61 GLU HA A 64 CYS H 1.0 1.8 4.4 82 61 A 65 LYS H A 65 LYS HA 1.0 1.8 3.4 83 62 A 65 LYS H A 65 LYS HB2 1.0 1.8 4.2 84 62 A 65 LYS H A 65 LYS HB3 1.0 1.8 4.2 85 63 A 65 LYS H A 65 LYS HG2 1.0 1.8 5.4 86 63 A 65 LYS H A 65 LYS HG3 1.0 1.8 5.4 87 64 A 65 LYS H A 65 LYS HD2 1.0 1.8 5.0 88 64 A 65 LYS HD3 A 65 LYS H 1.0 1.8 5.0 89 65 A 64 CYS H A 65 LYS H 1.0 1.8 4.7 90 66 A 64 CYS HA A 65 LYS H 1.0 1.8 3.7 91 67 A 65 LYS H A 64 CYS HBx 1.0 1.8 4.4 92 67 A 64 CYS HBy A 65 LYS H 1.0 1.8 4.4 93 68 A 65 LYS H A 64 CYS HBx 1.0 1.8 4.2 94 68 A 64 CYS HBy A 65 LYS H 1.0 1.8 4.2 95 69 A 65 LYS H A 66 ASP H 1.0 1.8 3.5 96 70 A 65 LYS H A 62 GLU HB2 1.0 1.8 5.7 97 70 A 62 GLU HB3 A 65 LYS H 1.0 1.8 5.7 98 71 A 66 ASP H A 66 ASP HA 1.0 1.8 3.4 99 72 A 66 ASP HBy A 66 ASP H 1.0 1.8 3.7 100 73 A 66 ASP H A 66 ASP HBx 1.0 1.8 3.5 101 74 A 66 ASP H A 62 GLU HB2 1.0 1.8 4.3 102 74 A 62 GLU HB3 A 66 ASP H 1.0 1.8 4.3 103 75 A 65 LYS HA A 66 ASP H 1.0 1.8 3.6 104 76 A 66 ASP H A 65 LYS HB2 1.0 1.8 4.4 105 76 A 65 LYS HB3 A 66 ASP H 1.0 1.8 4.4 106 77 A 66 ASP H A 67 ASN H 1.0 1.8 3.0 107 78 A 67 ASN H A 67 ASN HA 1.0 1.8 3.4 108 79 A 67 ASN HBx A 67 ASN H 1.0 1.8 3.5 109 80 A 67 ASN HBy A 67 ASN H 1.0 1.8 3.5 110 81 A 67 ASN H A 67 ASN HD2x 1.0 1.8 3.8 111 82 A 66 ASP HA A 67 ASN H 1.0 1.8 3.6 112 83 A 63 TYR HD% A 67 ASN H 1.0 1.8 6.2 113 84 A 64 CYS HA A 67 ASN H 1.0 1.8 3.6 114 85 A 67 ASN H A 68 PRO HDy 1.0 1.8 4.2 115 86 A 67 ASN H A 68 PRO HDx 1.0 1.8 4.0 116 87 A 63 TYR HBx A 67 ASN H 1.0 1.8 4.5 117 88 A 67 ASN H A 67 ASN HD2x 1.0 1.8 3.2 118 89 A 64 CYS HA A 67 ASN HD2x 1.0 1.8 3.5 119 90 A 67 ASN HBx A 67 ASN HD2x 1.0 1.8 3.5 120 91 A 67 ASN HBy A 67 ASN HD2x 1.0 1.8 2.8 121 92 A 63 TYR HA A 67 ASN HD2y 1.0 1.8 3.8 122 93 A 66 ASP HBy A 67 ASN HD2y 1.0 1.8 3.7 123 94 A 67 ASN HBx A 67 ASN HD2y 1.0 1.8 4.0 124 95 A 67 ASN HBy A 67 ASN HD2y 1.0 1.8 3.4 125 96 A 67 ASN HBx A 67 ASN HA 1.0 1.8 3.0 126 97 A 67 ASN HBy A 67 ASN HA 1.0 1.8 3.3 127 98 A 67 ASN HA A 68 PRO HDx 1.0 1.8 2.9 128 99 A 67 ASN HA A 68 PRO HDy 1.0 1.8 2.8 129 100 A 69 GLU H A 69 GLU HA 1.0 1.8 3.4 130 101 A 69 GLU H A 69 GLU HBx 1.0 1.8 4.8 131 102 A 69 GLU H A 68 PRO HBy 1.0 1.8 4.8 132 102 A 69 GLU H A 69 GLU HBy 1.0 1.8 4.8 133 102 A 69 GLU H A 68 PRO HGx 1.0 1.8 4.8 134 103 A 69 GLU H A 70 THR H 1.0 1.8 3.4 135 104 A 68 PRO HDy A 69 GLU H 1.0 1.8 4.7 136 105 A 68 PRO HDx A 69 GLU H 1.0 1.8 4.1 137 106 A 69 GLU H A 68 PRO HGy 1.0 1.8 5.0 138 107 A 67 ASN HA A 69 GLU H 1.0 1.8 4.5 139 108 A 70 THR H A 70 THR HA 1.0 1.8 3.4 140 109 A 69 GLU HA A 70 THR H 1.0 1.8 3.0 141 109 A 70 THR H A 71 ASN HA 1.0 1.8 3.0 142 109 A 70 THR H A 70 THR HB 1.0 1.8 3.0 143 110 A 70 THR H A 70 THR HG2% 1.0 1.8 3.9 144 111 A 70 THR H A 69 GLU HBx 1.0 1.8 5.3 145 111 A 70 THR H A 69 GLU HBy 1.0 1.8 5.3 146 112 A 70 THR H A 71 ASN HB2 1.0 1.8 5.0 147 112 A 70 THR H A 71 ASN HB3 1.0 1.8 5.0 148 113 A 67 ASN HA A 70 THR H 1.0 1.8 5.0 149 114 A 70 THR H A 72 GLU H 1.0 1.8 3.4 150 115 A 71 ASN HA A 71 ASN H 1.0 1.8 3.4 151 116 A 71 ASN H A 71 ASN HB2 1.0 1.8 4.8 152 116 A 71 ASN HB3 A 71 ASN H 1.0 1.8 4.8 153 117 A 71 ASN H A 71 ASN HD22 1.0 1.8 5.0 154 118 A 70 THR HA A 71 ASN H 1.0 1.8 3.7 155 119 A 70 THR H A 71 ASN H 1.0 1.8 4.1 156 120 A 67 ASN HA A 71 ASN H 1.0 1.8 5.0 157 121 A 71 ASN HD21 A 71 ASN HB2 1.0 1.8 4.1 158 121 A 71 ASN HB3 A 71 ASN HD21 1.0 1.8 4.1 159 122 A 71 ASN HD21 A 73 CYS H 1.0 1.8 4.0 160 123 A 71 ASN HD22 A 71 ASN HB2 1.0 1.8 4.7 161 123 A 71 ASN HB3 A 71 ASN HD22 1.0 1.8 4.7 162 124 A 72 GLU H A 72 GLU HA 1.0 1.8 3.4 163 125 A 72 GLU H A 72 GLU HB2 1.0 1.8 4.2 164 125 A 72 GLU H A 72 GLU HB3 1.0 1.8 4.2 165 126 A 72 GLU H A 72 GLU HGx 1.0 1.8 3.5 166 126 A 72 GLU H A 72 GLU HGy 1.0 1.8 3.5 167 127 A 72 GLU H A 72 GLU HGx 1.0 1.8 3.7 168 127 A 72 GLU H A 72 GLU HGy 1.0 1.8 3.7 169 128 A 72 GLU H A 71 ASN H 1.0 1.8 3.8 170 129 A 71 ASN HA A 72 GLU H 1.0 1.8 3.5 171 130 A 72 GLU H A 71 ASN HB2 1.0 1.8 4.2 172 130 A 71 ASN HB3 A 72 GLU H 1.0 1.8 4.2 173 131 A 72 GLU H A 73 CYS H 1.0 1.8 3.4 174 132 A 72 GLU H A 73 CYS HA 1.0 1.8 3.1 175 133 A 70 THR HA A 72 GLU H 1.0 1.8 3.5 176 134 A 70 THR HG2% A 72 GLU H 1.0 1.8 5.0 177 135 A 67 ASN HA A 72 GLU H 1.0 1.8 5.0 178 136 A 73 CYS H A 73 CYS HA 1.0 1.8 3.4 179 137 A 73 CYS H A 73 CYS HBx 1.0 1.8 2.7 180 138 A 73 CYS H A 73 CYS HBy 1.0 1.8 3.5 181 139 A 73 CYS H A 72 GLU HA 1.0 1.8 3.7 182 140 A 73 CYS H A 72 GLU HB2 1.0 1.8 5.2 183 140 A 73 CYS H A 72 GLU HB3 1.0 1.8 5.2 184 141 A 73 CYS H A 72 GLU HGx 1.0 1.8 3.7 185 141 A 73 CYS H A 72 GLU HGy 1.0 1.8 3.7 186 142 A 73 CYS H A 72 GLU HGx 1.0 1.8 4.0 187 142 A 73 CYS H A 72 GLU HGy 1.0 1.8 4.0 188 143 A 70 THR HG2% A 73 CYS H 1.0 1.8 5.5 189 144 A 73 CYS H A 74 ARG H 1.0 1.8 3.0 190 145 A 71 ASN HA A 73 CYS H 1.0 1.8 4.0 191 146 A 70 THR HA A 73 CYS H 1.0 1.8 3.9 192 147 A 74 ARG H A 74 ARG HA 1.0 1.8 3.4 193 148 A 74 ARG H A 74 ARG HB2 1.0 1.8 4.1 194 148 A 74 ARG H A 74 ARG HB3 1.0 1.8 4.1 195 149 A 74 ARG H A 74 ARG HG2 1.0 1.8 4.1 196 149 A 74 ARG H A 74 ARG HG3 1.0 1.8 4.1 197 150 A 74 ARG H A 74 ARG HD2 1.0 1.8 5.2 198 150 A 73 CYS HBx A 74 ARG H 1.0 1.8 5.2 199 150 A 74 ARG H A 74 ARG HD3 1.0 1.8 5.2 200 151 A 73 CYS HA A 74 ARG H 1.0 1.8 4.1 201 152 A 73 CYS HBy A 74 ARG H 1.0 1.8 4.1 202 153 A 70 THR HA A 74 ARG H 1.0 1.8 5.0 203 154 A 75 THR H A 75 THR HB 1.0 1.8 3.2 204 155 A 75 THR H A 75 THR HG2% 1.0 1.8 4.1 205 156 A 75 THR H A 74 ARG HB2 1.0 1.8 3.7 206 156 A 74 ARG HB3 A 75 THR H 1.0 1.8 3.7 207 157 A 75 THR H A 74 ARG HG2 1.0 1.8 4.1 208 157 A 74 ARG HG3 A 75 THR H 1.0 1.8 4.1 209 158 A 76 TYR H A 76 TYR HBx 1.0 1.8 3.2 210 159 A 76 TYR H A 76 TYR HBy 1.0 1.8 3.2 211 160 A 75 THR HB A 76 TYR H 1.0 1.8 3.1 212 161 A 75 THR HG2% A 76 TYR H 1.0 1.8 4.9 213 162 A 76 TYR H A 76 TYR HD% 1.0 1.8 7.2 214 163 A 76 TYR HD% A 76 TYR HA 1.0 1.8 6.7 215 164 A 76 TYR HBx A 76 TYR HD% 1.0 1.8 6.1 216 165 A 76 TYR HBy A 76 TYR HD% 1.0 1.8 6.4 217 166 A 77 ASP H A 77 ASP HBx 1.0 1.8 3.4 218 167 A 77 ASP H A 77 ASP HBy 1.0 1.8 3.4 219 168 A 76 TYR HBx A 77 ASP H 1.0 1.8 3.4 220 169 A 76 TYR HBy A 77 ASP H 1.0 1.8 3.7 221 170 A 76 TYR HD% A 77 ASP H 1.0 1.8 6.1 222 171 A 78 ASN H A 78 ASN HA 1.0 1.8 3.3 223 172 A 78 ASN H A 78 ASN HBy 1.0 1.8 4.0 224 172 A 78 ASN H A 78 ASN HBx 1.0 1.8 4.0 225 173 A 78 ASN H A 77 ASP HA 1.0 1.8 2.7 226 174 A 78 ASN H A 77 ASP HBy 1.0 1.8 3.5 227 174 A 78 ASN H A 77 ASP HBx 1.0 1.8 3.5 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 65 LYS H A 61 GLU O 1.0 1.5 2.5 2 2 A 64 CYS H A 60 LEU O 1.0 1.5 2.5 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _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 57 SER C A 58 ASP N A 58 ASP CA A 58 ASP C 1.0 -110.0 -50.0 PHI 2 2 A 58 ASP N A 58 ASP CA A 58 ASP C A 59 PRO N 1.0 99.0 159.0 PSI 3 3 A 58 ASP C A 59 PRO N A 59 PRO CA A 59 PRO C 1.0 -89.0 -29.0 PHI 4 4 A 59 PRO N A 59 PRO CA A 59 PRO C A 60 LEU N 1.0 -58.0 2.0 PSI 5 5 A 59 PRO C A 60 LEU N A 60 LEU CA A 60 LEU C 1.0 -79.0 -49.0 PHI 6 6 A 60 LEU N A 60 LEU CA A 60 LEU C A 61 GLU N 1.0 -54.0 -18.0 PSI 7 7 A 60 LEU C A 61 GLU N A 61 GLU CA A 61 GLU C 1.0 -77.0 -47.0 PHI 8 8 A 61 GLU N A 61 GLU CA A 61 GLU C A 62 GLU N 1.0 -54.0 -24.0 PSI 9 9 A 61 GLU C A 62 GLU N A 62 GLU CA A 62 GLU C 1.0 -79.0 -49.0 PHI 10 10 A 62 GLU N A 62 GLU CA A 62 GLU C A 63 TYR N 1.0 -58.0 -28.0 PSI 11 11 A 62 GLU C A 63 TYR N A 63 TYR CA A 63 TYR C 1.0 -78.0 -48.0 PHI 12 12 A 63 TYR N A 63 TYR CA A 63 TYR C A 64 CYS N 1.0 -61.0 -31.0 PSI 13 13 A 63 TYR C A 64 CYS N A 64 CYS CA A 64 CYS C 1.0 -82.0 -52.0 PHI 14 14 A 64 CYS N A 64 CYS CA A 64 CYS C A 65 LYS N 1.0 -50.0 -20.0 PSI 15 15 A 64 CYS C A 65 LYS N A 65 LYS CA A 65 LYS C 1.0 -84.0 -54.0 PHI 16 16 A 65 LYS N A 65 LYS CA A 65 LYS C A 66 ASP N 1.0 -40.0 -10.0 PSI 17 17 A 65 LYS C A 66 ASP N A 66 ASP CA A 66 ASP C 1.0 -99.0 -69.0 PHI 18 18 A 66 ASP N A 66 ASP CA A 66 ASP C A 67 ASN N 1.0 -34.0 8.0 PSI 19 19 A 66 ASP C A 67 ASN N A 67 ASN CA A 67 ASN C 1.0 -144.0 -80.0 PHI 20 20 A 67 ASN N A 67 ASN CA A 67 ASN C A 68 PRO N 1.0 74.0 154.0 PSI 21 21 A 67 ASN C A 68 PRO N A 68 PRO CA A 68 PRO C 1.0 -90.0 -30.0 PHI 22 22 A 68 PRO N A 68 PRO CA A 68 PRO C A 69 GLU N 1.0 -53.0 7.0 PSI 23 23 A 68 PRO C A 69 GLU N A 69 GLU CA A 69 GLU C 1.0 -107.0 -47.0 PHI 24 24 A 69 GLU N A 69 GLU CA A 69 GLU C A 70 THR N 1.0 -50.0 10.0 PSI 25 25 A 69 GLU C A 70 THR N A 70 THR CA A 70 THR C 1.0 -141.0 -81.0 PHI 26 26 A 70 THR N A 70 THR CA A 70 THR C A 71 ASN N 1.0 -28.0 32.0 PSI 27 27 A 70 THR C A 71 ASN N A 71 ASN CA A 71 ASN C 1.0 -87.0 -27.0 PHI 28 28 A 71 ASN N A 71 ASN CA A 71 ASN C A 72 GLU N 1.0 -68.0 -8.0 PSI 29 29 A 71 ASN C A 72 GLU N A 72 GLU CA A 72 GLU C 1.0 -93.0 -33.0 PHI 30 30 A 72 GLU N A 72 GLU CA A 72 GLU C A 73 CYS N 1.0 -65.0 -5.0 PSI 31 31 A 72 GLU C A 73 CYS N A 73 CYS CA A 73 CYS C 1.0 -113.0 -53.0 PHI 32 32 A 73 CYS N A 73 CYS CA A 73 CYS C A 74 ARG N 1.0 -31.0 29.0 PSI 33 33 A 73 CYS C A 74 ARG N A 74 ARG CA A 74 ARG C 1.0 -112.0 -52.0 PHI 34 34 A 74 ARG N A 74 ARG CA A 74 ARG C A 75 THR N 1.0 -42.0 18.0 PSI stop_ save_