data_nef_c30031_5im8 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 5IM8 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 LYS middle . . 3 A 3 GLU middle . . 4 A 4 ASN middle . . 5 A 5 ASP middle . . 6 A 6 HIS middle . . 7 A 7 ALA middle . . 8 A 8 ARG middle . . 9 A 9 PHE middle . . 10 A 10 LEU middle . . 11 A 11 GLN middle . . 12 A 12 THR middle . . 13 A 13 ALA middle . . 14 A 14 LYS middle . . 15 A 15 ASN middle . . 16 A 16 ILE middle . . 17 A 17 THR middle . . 18 A 18 GLU middle . . 19 A 19 ARG middle . . 20 A 20 VAL middle . . 21 A 21 SER middle . . 22 A 22 MET middle . . 23 A 23 ALA middle . . 24 A 24 THR middle . . 25 A 25 ALA middle . . 26 A 26 SER middle . . 27 A 27 SER middle . . 28 A 28 GLN middle . . 29 A 29 VAL middle . . 30 A 30 LEU middle . . 31 A 31 ILE middle . . 32 A 32 PRO middle . false 33 A 33 GLU middle . . 34 A 34 ILE middle . . 35 A 35 ASN middle . . 36 A 36 LEU middle . . 37 A 37 ASN middle . . 38 A 38 ASP middle . . 39 A 39 THR middle . . 40 A 40 PHE middle . . 41 A 41 ASP middle . . 42 A 42 THR middle . . 43 A 43 PHE middle . . 44 A 44 ALA middle . . 45 A 45 LEU middle . . 46 A 46 ASP middle . . 47 A 47 PHE middle . . 48 A 48 SER middle . . 49 A 49 ARG middle . . 50 A 50 GLU middle . . 51 A 51 LYS middle . . 52 A 52 LYS middle . . 53 A 53 LEU middle . . 54 A 54 LEU middle . . 55 A 55 GLU middle . . 56 A 56 CYS middle . . 57 A 57 LEU middle . . 58 A 58 ASP middle . . 59 A 59 TYR middle . . 60 A 60 LEU middle . . 61 A 61 HIS middle . . 62 A 62 HIS middle . . 63 A 63 HIS middle . . 64 A 64 HIS middle . . 65 A 65 HIS middle . . 66 A 66 HIS 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 2 LYS H H 1 8.25 0.003 A 2 LYS HA H 1 4.29 0.004 A 2 LYS HBx H 1 1.90 0.003 A 2 LYS HBy H 1 1.90 0.003 A 2 LYS HDx H 1 1.74 0.003 A 2 LYS HDy H 1 1.74 0.003 A 2 LYS HGx H 1 2.24 0.002 A 2 LYS HGy H 1 2.24 0.002 A 2 LYS C C 13 176.3 0.03 A 2 LYS CA C 13 56.86 0.03 A 2 LYS CB C 13 32.79 0.04 A 2 LYS CD C 13 29.20 0.02 A 2 LYS CG C 13 24.85 0.02 A 2 LYS N N 15 119.2 0.01 A 3 GLU H H 1 8.175 0.004 A 3 GLU HA H 1 4.52 0.002 A 3 GLU HBx H 1 2.061 0.004 A 3 GLU HBy H 1 2.061 0.004 A 3 GLU HGx H 1 2.241 0.002 A 3 GLU HGy H 1 2.241 0.002 A 3 GLU C C 13 176 0.02 A 3 GLU CA C 13 56.87 0.03 A 3 GLU CB C 13 29.93 0.03 A 3 GLU CG C 13 36.56 0.03 A 3 GLU N N 15 119.5 0.01 A 4 ASN H H 1 8.17 0.003 A 4 ASN HA H 1 4.68 0.004 A 4 ASN HBx H 1 2.79 0.002 A 4 ASN HBy H 1 2.79 0.002 A 4 ASN C C 13 174.1 0.01 A 4 ASN CA C 13 53.36 0.04 A 4 ASN CB C 13 39.67 0.03 A 4 ASN N N 15 118.7 0.00 A 5 ASP H H 1 8.18 0.003 A 5 ASP HA H 1 4.80 0.003 A 5 ASP HBy H 1 2.73 0.003 A 5 ASP HBx H 1 2.63 0.002 A 5 ASP C C 13 176.4 0.01 A 5 ASP CA C 13 54.56 0.03 A 5 ASP CB C 13 41.28 0.01 A 5 ASP N N 15 119.9 0.01 A 6 HIS H H 1 8.317 0.003 A 6 HIS HA H 1 4.38 0.003 A 6 HIS HBy H 1 3.364 0.003 A 6 HIS HBx H 1 3.25 0.002 A 6 HIS C C 13 175.3 0.02 A 6 HIS CA C 13 56.02 0.02 A 6 HIS CB C 13 29.10 0.01 A 6 HIS N N 15 118.8 0.01 A 7 ALA H H 1 8.14 0.002 A 7 ALA HA H 1 4.16 0.001 A 7 ALA HB% H 1 1.47 0.001 A 7 ALA C C 13 179.6 0.02 A 7 ALA CA C 13 54.85 0.02 A 7 ALA CB C 13 18.70 0.01 A 7 ALA N N 15 122.5 0.01 A 8 ARG H H 1 8.24 0.002 A 8 ARG HA H 1 4.19 0.003 A 8 ARG HBx H 1 1.89 0.003 A 8 ARG HBy H 1 1.89 0.003 A 8 ARG HDx H 1 3.17 0.003 A 8 ARG HGx H 1 1.56 0.004 A 8 ARG HGy H 1 1.56 0.004 A 8 ARG C C 13 178.5 0.02 A 8 ARG CA C 13 58.63 0.02 A 8 ARG CB C 13 29.59 0.01 A 8 ARG CD C 13 43.76 0.02 A 8 ARG CG C 13 27.01 0.01 A 8 ARG N N 15 118.9 0.00 A 9 PHE H H 1 8.09 0.002 A 9 PHE HA H 1 4.34 0.001 A 9 PHE HBy H 1 3.31 0.002 A 9 PHE HBx H 1 3.20 0.002 A 9 PHE HDx H 1 7.208 0.004 A 9 PHE HDy H 1 7.208 0.004 A 9 PHE HEx H 1 6.708 0.00 A 9 PHE HEy H 1 6.708 0.00 A 9 PHE C C 13 178.3 0.01 A 9 PHE CA C 13 60.76 0.02 A 9 PHE CB C 13 39.11 0.03 A 9 PHE CDx C 13 130.27 0.05 A 9 PHE CDy C 13 130.27 0.05 A 9 PHE CEx C 13 129.43 0.05 A 9 PHE CEy C 13 129.43 0.05 A 9 PHE N N 15 120.4 0.01 A 10 LEU H H 1 8.05 0.002 A 10 LEU HA H 1 3.91 0.003 A 10 LEU HBy H 1 1.82 0.004 A 10 LEU HBx H 1 1.66 0.004 A 10 LEU HDx% H 1 1.02 0.002 A 10 LEU HDy% H 1 0.958 0.001 A 10 LEU HG H 1 1.68 0.003 A 10 LEU C C 13 178.8 0.01 A 10 LEU CA C 13 57.61 0.02 A 10 LEU CB C 13 41.58 0.02 A 10 LEU CDy C 13 24.97 0.03 A 10 LEU CDx C 13 23.56 0.03 A 10 LEU CG C 13 27.14 0.03 A 10 LEU N N 15 118.9 0.02 A 11 GLN H H 1 8.06 0.003 A 11 GLN HA H 1 3.99 0.002 A 11 GLN HBx H 1 2.18 0.004 A 11 GLN HBy H 1 2.18 0.004 A 11 GLN HGx H 1 2.41 0.005 A 11 GLN HGy H 1 2.41 0.005 A 11 GLN C C 13 178.4 0.02 A 11 GLN CA C 13 58.74 0.02 A 11 GLN CB C 13 28.50 0.03 A 11 GLN CG C 13 34.05 0.04 A 11 GLN N N 15 117.8 0.01 A 12 THR H H 1 7.97 0.002 A 12 THR HA H 1 3.99 0.002 A 12 THR HB H 1 4.21 0.003 A 12 THR HG2% H 1 1.28 0.005 A 12 THR C C 13 175.8 0.01 A 12 THR CA C 13 66.75 0.01 A 12 THR CB C 13 68.51 0.02 A 12 THR CG2 C 13 21.92 0.02 A 12 THR N N 15 117.3 0.00 A 13 ALA H H 1 8.38 0.002 A 13 ALA HA H 1 3.82 0.002 A 13 ALA HB% H 1 1.30 0.001 A 13 ALA C C 13 179.4 0.01 A 13 ALA CA C 13 55.61 0.01 A 13 ALA CB C 13 18.03 0.02 A 13 ALA N N 15 123 0.01 A 14 LYS H H 1 8.17 0.003 A 14 LYS HA H 1 4.01 0.003 A 14 LYS HBx H 1 1.94 0.004 A 14 LYS HBy H 1 1.94 0.004 A 14 LYS HDx H 1 1.68 0.006 A 14 LYS HDy H 1 1.68 0.005 A 14 LYS HEx H 1 2.97 0.006 A 14 LYS HEy H 1 2.97 0.006 A 14 LYS HGx H 1 1.47 0.005 A 14 LYS HGy H 1 1.47 0.005 A 14 LYS C C 13 178.4 0.02 A 14 LYS CA C 13 59.44 0.02 A 14 LYS CB C 13 32.13 0.03 A 14 LYS CD C 13 29.20 0.04 A 14 LYS CE C 13 42.33 0.04 A 14 LYS CG C 13 24.97 0.03 A 14 LYS N N 15 118.6 0.01 A 15 ASN H H 1 8.16 0.003 A 15 ASN HA H 1 4.47 0.001 A 15 ASN HBy H 1 3.16 0.001 A 15 ASN HBx H 1 2.96 0.001 A 15 ASN HD2y H 1 7.60 0.003 A 15 ASN HD2x H 1 6.92 0.003 A 15 ASN C C 13 178.4 0.01 A 15 ASN CA C 13 55.91 0.02 A 15 ASN CB C 13 38.12 0.02 A 16 ILE H H 1 8.39 0.003 A 16 ILE HA H 1 3.74 0.002 A 16 ILE HB H 1 2.01 0.003 A 16 ILE HD1% H 1 0.82 0.005 A 16 ILE HG1y H 1 1.88 0.003 A 16 ILE HG1x H 1 1.21 0.003 A 16 ILE HG2% H 1 0.90 0.005 A 16 ILE C C 13 177.7 0.02 A 16 ILE CA C 13 65.3 0.01 A 16 ILE CB C 13 37.92 0.02 A 16 ILE CD1 C 13 13.84 0.03 A 16 ILE CG1 C 13 29.2 0.02 A 16 ILE CG2 C 13 17.69 0.03 A 16 ILE N N 15 120.1 0.01 A 17 THR H H 1 8.23 0.002 A 17 THR HA H 1 3.84 0.002 A 17 THR HB H 1 4.30 0.001 A 17 THR HG2% H 1 1.30 0.003 A 17 THR C C 13 177.1 0.01 A 17 THR CA C 13 66.92 0.02 A 17 THR CB C 13 68.18 0.02 A 17 THR CG2 C 13 22.07 0.03 A 17 THR N N 15 113.7 0.00 A 18 GLU H H 1 8.08 0.003 A 18 GLU HA H 1 4.12 0.002 A 18 GLU HBx H 1 2.19 0.003 A 18 GLU HBy H 1 2.19 0.003 A 18 GLU HGx H 1 2.43 0.004 A 18 GLU HGy H 1 2.43 0.004 A 18 GLU C C 13 178.8 0.02 A 18 GLU CA C 13 59.44 0.03 A 18 GLU CB C 13 29.8 0.03 A 18 GLU CG C 13 36.06 0.03 A 18 GLU N N 15 122 0.01 A 19 ARG H H 1 7.87 0.004 A 19 ARG HA H 1 4.17 0.003 A 19 ARG HBx H 1 2.193 0.003 A 19 ARG HBy H 1 2.193 0.003 A 19 ARG HDx H 1 3.19 0.003 A 19 ARG HDy H 1 3.19 0.003 A 19 ARG HGx H 1 1.84 0.004 A 19 ARG HGy H 1 1.84 0.004 A 19 ARG C C 13 176.4 0.02 A 19 ARG CA C 13 58.93 0.03 A 19 ARG CB C 13 30.22 0.04 A 19 ARG CD C 13 43.29 0.03 A 19 ARG CG C 13 27.41 0.04 A 19 ARG N N 15 119.1 0.02 A 20 VAL H H 1 8.37 0.002 A 20 VAL HA H 1 3.71 0.003 A 20 VAL HB H 1 2.20 0.003 A 20 VAL HGx% H 1 1.04 0.004 A 20 VAL HGy% H 1 0.95 0.005 A 20 VAL C C 13 177.7 0.01 A 20 VAL CA C 13 65.98 0.03 A 20 VAL CB C 13 31.92 0.04 A 20 VAL CGy C 13 22.71 0.03 A 20 VAL CGx C 13 21.68 0.03 A 20 VAL N N 15 118.6 0.00 A 21 SER H H 1 8.29 0.003 A 21 SER HA H 1 4.29 0.003 A 21 SER HBx H 1 4.02 0.004 A 21 SER HBy H 1 4.02 0.004 A 21 SER C C 13 176.5 0.02 A 21 SER CA C 13 61.03 0.01 A 21 SER CB C 13 63.2 0.03 A 21 SER N N 15 116.1 0.01 A 22 MET H H 1 7.99 0.003 A 22 MET HA H 1 4.31 0.002 A 22 MET HBx H 1 2.22 0.004 A 22 MET HBy H 1 2.22 0.004 A 22 MET HE% H 1 1.55 0.005 A 22 MET HGy H 1 2.768 0.004 A 22 MET HGx H 1 2.62 0.004 A 22 MET C C 13 177.9 0.01 A 22 MET CA C 13 57.6 0.02 A 22 MET CB C 13 32.87 0.03 A 22 MET CG C 13 32.25 0.04 A 22 MET N N 15 120 0.00 A 23 ALA H H 1 8.01 0.002 A 23 ALA HA H 1 4.31 0.002 A 23 ALA HB% H 1 1.56 0.003 A 23 ALA C C 13 179.3 0.02 A 23 ALA CA C 13 54.33 0.03 A 23 ALA CB C 13 19.18 0.03 A 23 ALA N N 15 122.4 0.01 A 24 THR H H 1 8.10 0.003 A 24 THR HA H 1 3.99 0.004 A 24 THR HB H 1 4.331 0.004 A 24 THR HG2% H 1 1.261 0.005 A 24 THR C C 13 176.1 0.03 A 24 THR CA C 13 63.4 0.03 A 24 THR CB C 13 69.33 0.03 A 24 THR CG2 C 13 21.76 0.04 A 24 THR N N 15 109.7 0.02 A 25 ALA H H 1 7.87 0.003 A 25 ALA HA H 1 4.29 0.002 A 25 ALA HB% H 1 1.52 0.004 A 25 ALA C C 13 178.6 0.02 A 25 ALA CA C 13 52.93 0.02 A 25 ALA CB C 13 18.90 0.03 A 25 ALA N N 15 124.5 0.02 A 26 SER H H 1 7.96 0.002 A 26 SER HA H 1 4.48 0.002 A 26 SER HBx H 1 3.96 0.004 A 26 SER HBy H 1 3.96 0.004 A 26 SER C C 13 174.7 0.01 A 26 SER CA C 13 58.87 0.03 A 26 SER CB C 13 63.79 0.04 A 26 SER N N 15 112.3 0.00 A 27 SER H H 1 7.98 0.003 A 27 SER HA H 1 4.44 0.003 A 27 SER HBx H 1 3.97 0.004 A 27 SER HBy H 1 3.97 0.004 A 27 SER C C 13 174.2 0.01 A 27 SER CA C 13 59.05 0.03 A 27 SER CB C 13 63.12 0.03 A 27 SER N N 15 116.2 0.01 A 28 GLN H H 1 7.85 0.003 A 28 GLN HA H 1 4.39 0.003 A 28 GLN HBy H 1 2.14 0.002 A 28 GLN HBx H 1 2.02 0.002 A 28 GLN HGx H 1 2.43 0.004 A 28 GLN HGy H 1 2.43 0.004 A 28 GLN C C 13 175.5 0.03 A 28 GLN CA C 13 56.17 0.03 A 28 GLN CB C 13 29.37 0.04 A 28 GLN CG C 13 34.05 0.04 A 28 GLN N N 15 119.9 0.01 A 29 VAL H H 1 7.85 0.003 A 29 VAL HA H 1 4.12 0.004 A 29 VAL HB H 1 2.03 0.004 A 29 VAL HGx% H 1 0.95 0.006 A 29 VAL HGy% H 1 0.916 0.006 A 29 VAL C C 13 175.1 0.02 A 29 VAL CA C 13 62.21 0.01 A 29 VAL CB C 13 32.89 0.03 A 29 VAL CGy C 13 21.33 0.03 A 29 VAL CGx C 13 20.78 0.04 A 29 VAL N N 15 119.1 0.01 A 30 LEU H H 1 8.04 0.003 A 30 LEU HA H 1 4.42 0.004 A 30 LEU HBy H 1 1.63 0.004 A 30 LEU HBx H 1 1.54 0.004 A 30 LEU HDx% H 1 0.93 0.006 A 30 LEU HDy% H 1 0.84 0.006 A 30 LEU HG H 1 1.63 0.005 A 30 LEU C C 13 176 0.01 A 30 LEU CA C 13 54.92 0.02 A 30 LEU CB C 13 42.90 0.03 A 30 LEU CDy C 13 24.97 0.04 A 30 LEU CDx C 13 23.95 0.03 A 30 LEU CG C 13 27.15 0.04 A 30 LEU N N 15 125.4 0.00 A 31 ILE H H 1 7.87 0.003 A 31 ILE HA H 1 4.34 0.002 A 31 ILE HB H 1 1.93 0.003 A 31 ILE HD1% H 1 0.86 0.006 A 31 ILE HG1y H 1 1.58 0.004 A 31 ILE HG1x H 1 1.19 0.003 A 31 ILE HG2% H 1 0.98 0.005 A 31 ILE CA C 13 58.87 0.02 A 31 ILE CB C 13 38.14 0.04 A 31 ILE CD1 C 13 12.68 0.03 A 31 ILE CG1 C 13 27.29 0.03 A 31 ILE CG2 C 13 17.06 0.04 A 31 ILE N N 15 121 0.00 A 32 PRO HA H 1 4.27 0.003 A 32 PRO HBy H 1 2.28 0.003 A 32 PRO HBx H 1 1.91 0.004 A 32 PRO HDy H 1 3.87 0.003 A 32 PRO HDx H 1 3.57 0.003 A 32 PRO HGy H 1 2.02 0.005 A 32 PRO HGx H 1 1.89 0.004 A 32 PRO C C 13 175.8 0.01 A 32 PRO CA C 13 63.04 0.02 A 32 PRO CB C 13 32.28 0.03 A 32 PRO CD C 13 50.76 0.04 A 32 PRO CG C 13 27.1 0.04 A 33 GLU H H 1 8.08 0.002 A 33 GLU HA H 1 4.27 0.003 A 33 GLU HBy H 1 2.01 0.003 A 33 GLU HBx H 1 1.93 0.002 A 33 GLU HGy H 1 2.31 0.004 A 33 GLU HGx H 1 2.19 0.003 A 33 GLU C C 13 176.1 0.01 A 33 GLU CA C 13 56.33 0.03 A 33 GLU CB C 13 29.80 0.03 A 33 GLU CG C 13 36.40 0.04 A 33 GLU N N 15 118.6 0.01 A 34 ILE H H 1 7.84 0.002 A 34 ILE HA H 1 4.20 0.001 A 34 ILE HB H 1 1.79 0.003 A 34 ILE HD1% H 1 0.81 0.006 A 34 ILE HG1y H 1 1.45 0.003 A 34 ILE HG1x H 1 1.10 0.002 A 34 ILE HG2% H 1 0.85 0.004 A 34 ILE C C 13 174.6 0.02 A 34 ILE CA C 13 60.57 0.03 A 34 ILE CB C 13 39.76 0.04 A 34 ILE CD1 C 13 13.58 0.04 A 34 ILE CG1 C 13 27.24 0.02 A 34 ILE CG2 C 13 17.46 0.03 A 34 ILE N N 15 122 0.00 A 35 ASN H H 1 8.46 0.004 A 35 ASN HA H 1 4.85 0.001 A 35 ASN HBy H 1 2.94 0.002 A 35 ASN HBx H 1 2.69 0.002 A 35 ASN HD2y H 1 7.56 0.004 A 35 ASN HD2x H 1 6.92 0.003 A 35 ASN C C 13 175.5 0.02 A 35 ASN CA C 13 52.48 0.03 A 35 ASN CB C 13 39.35 0.01 A 35 ASN N N 15 123 0.01 A 36 LEU H H 1 8.57 0.001 A 36 LEU HA H 1 4.16 0.001 A 36 LEU HBy H 1 1.68 0.003 A 36 LEU HBx H 1 1.54 0.003 A 36 LEU HDx% H 1 0.92 0.005 A 36 LEU HDy% H 1 0.834 0.005 A 36 LEU C C 13 177.5 0.03 A 36 LEU CA C 13 56.55 0.04 A 36 LEU CB C 13 42.09 0.03 A 36 LEU CDy C 13 25.5 0.04 A 36 LEU CDx C 13 23.56 0.02 A 36 LEU CG C 13 27.14 0.03 A 36 LEU N N 15 124.5 0.00 A 37 ASN H H 1 8.27 0.004 A 37 ASN HA H 1 4.46 0.003 A 37 ASN HBy H 1 3.24 0.002 A 37 ASN HBx H 1 2.84 0.002 A 37 ASN HD2y H 1 7.64 0.004 A 37 ASN HD2x H 1 6.91 0.005 A 37 ASN C C 13 176 0.01 A 37 ASN CA C 13 55.43 0.02 A 37 ASN CB C 13 38.79 0.04 A 37 ASN N N 15 117.2 0.01 A 38 ASP H H 1 8.03 0.004 A 38 ASP HA H 1 4.54 0.004 A 38 ASP HBx H 1 2.71 0.005 A 38 ASP HBy H 1 2.71 0.005 A 38 ASP C C 13 177.3 0.03 A 38 ASP CA C 13 55.67 0.02 A 38 ASP CB C 13 40.82 0.04 A 38 ASP N N 15 118.7 0.02 A 39 THR H H 1 7.85 0.001 A 39 THR HA H 1 4.12 0.002 A 39 THR HB H 1 4.03 0.001 A 39 THR HG2% H 1 1.02 0.003 A 39 THR C C 13 175.2 0.03 A 39 THR CA C 13 64.7 0.01 A 39 THR CB C 13 69.38 0.03 A 39 THR CG2 C 13 21.5 0.03 A 39 THR N N 15 114.6 0.00 A 40 PHE H H 1 8.21 0.002 A 40 PHE HA H 1 4.49 0.003 A 40 PHE HBy H 1 3.27 0.004 A 40 PHE HBx H 1 3.07 0.003 A 40 PHE HDx H 1 7.24 0.00 A 40 PHE HDy H 1 7.24 0.00 A 40 PHE HEx H 1 7.46 0.00 A 40 PHE HEy H 1 7.46 0.00 A 40 PHE HZ H 1 7.30 0.00 A 40 PHE C C 13 176.3 0.02 A 40 PHE CA C 13 59.04 0.03 A 40 PHE CB C 13 38.90 0.02 A 40 PHE CDx C 13 131.89 0.05 A 40 PHE CDy C 13 131.89 0.05 A 40 PHE CEx C 13 130.03 0.06 A 40 PHE CEy C 13 130.03 0.06 A 40 PHE N N 15 120.5 0.01 A 41 ASP H H 1 8.11 0.002 A 41 ASP HA H 1 4.52 0.003 A 41 ASP HBy H 1 2.80 0.003 A 41 ASP HBx H 1 2.72 0.004 A 41 ASP C C 13 177.3 0.01 A 41 ASP CA C 13 56.03 0.02 A 41 ASP CB C 13 41.14 0.02 A 41 ASP N N 15 119.5 0.00 A 42 THR H H 1 7.83 0.003 A 42 THR HA H 1 4.17 0.003 A 42 THR HB H 1 4.15 0.005 A 42 THR HG2% H 1 1.00 0.005 A 42 THR C C 13 174.7 0.02 A 42 THR CA C 13 63.37 0.02 A 42 THR CB C 13 69.5 0.04 A 42 THR CG2 C 13 21.53 0.03 A 42 THR N N 15 112 0.00 A 43 PHE H H 1 7.81 0.003 A 43 PHE HA H 1 4.53 0.002 A 43 PHE HBy H 1 3.14 0.002 A 43 PHE HBx H 1 3.05 0.004 A 43 PHE HDx H 1 7.247 0.00 A 43 PHE HDy H 1 7.247 0.00 A 43 PHE HEx H 1 7.071 0.00 A 43 PHE HEy H 1 7.071 0.00 A 43 PHE C C 13 175 0.02 A 43 PHE CA C 13 58.58 0.02 A 43 PHE CB C 13 39.76 0.03 A 43 PHE CDx C 13 131.89 0.05 A 43 PHE CDy C 13 131.89 0.05 A 43 PHE CEx C 13 130.03 0.05 A 43 PHE CEy C 13 130.03 0.05 A 43 PHE N N 15 121.5 0.01 A 44 ALA H H 1 7.94 0.003 A 44 ALA HA H 1 4.23 0.003 A 44 ALA HB% H 1 1.27 0.005 A 44 ALA C C 13 176.9 0.02 A 44 ALA CA C 13 52.62 0.03 A 44 ALA CB C 13 19.25 0.01 A 44 ALA N N 15 124.1 0.01 A 45 LEU H H 1 7.75 0.004 A 45 LEU HA H 1 4.16 0.002 A 45 LEU HBy H 1 1.57 0.002 A 45 LEU HBx H 1 1.35 0.002 A 45 LEU HDx% H 1 0.865 0.00 A 45 LEU HDy% H 1 0.865 0.00 A 45 LEU HG H 1 1.60 0.004 A 45 LEU C C 13 176.5 0.01 A 45 LEU CA C 13 55.21 0.02 A 45 LEU CB C 13 42.19 0.04 A 45 LEU CDy C 13 25.52 0.02 A 45 LEU CDx C 13 23.47 0.04 A 45 LEU CG C 13 27.55 0.03 A 45 LEU N N 15 119.7 0.00 A 46 ASP H H 1 8.00 0.001 A 46 ASP HA H 1 4.61 0.002 A 46 ASP HBy H 1 2.67 0.004 A 46 ASP HBx H 1 2.59 0.003 A 46 ASP C C 13 176.2 0.00 A 46 ASP CA C 13 53.81 0.03 A 46 ASP CB C 13 41.3 0.04 A 46 ASP N N 15 120.4 0.01 A 47 PHE H H 1 8.09 0.002 A 47 PHE HA H 1 4.58 0.003 A 47 PHE HBy H 1 3.22 0.004 A 47 PHE HBx H 1 3.04 0.004 A 47 PHE HDx H 1 7.251 0.00 A 47 PHE HDy H 1 7.251 0.00 A 47 PHE HEx H 1 6.99 0.00 A 47 PHE HEy H 1 6.99 0.00 A 47 PHE C C 13 176 0.00 A 47 PHE CA C 13 58.37 0.02 A 47 PHE CB C 13 38.98 0.04 A 47 PHE CDx C 13 130.27 0.05 A 47 PHE CDy C 13 130.27 0.05 A 47 PHE CEx C 13 129.43 0.05 A 47 PHE CEy C 13 129.43 0.05 A 47 PHE N N 15 120.8 0.00 A 48 SER H H 1 8.24 0.003 A 48 SER HA H 1 4.35 0.003 A 48 SER HBy H 1 3.90 0.002 A 48 SER HBx H 1 3.84 0.002 A 48 SER C C 13 175.3 0.03 A 48 SER CA C 13 59.46 0.01 A 48 SER CB C 13 63.67 0.03 A 48 SER N N 15 116.3 0.00 A 49 ARG H H 1 8.05 0.003 A 49 ARG HA H 1 4.29 0.002 A 49 ARG HBx H 1 1.87 0.004 A 49 ARG HBy H 1 1.87 0.004 A 49 ARG HDx H 1 3.22 0.005 A 49 ARG HDy H 1 3.22 0.005 A 49 ARG HGx H 1 1.65 0.005 A 49 ARG HGy H 1 1.65 0.005 A 49 ARG C C 13 176.5 0.02 A 49 ARG CA C 13 56.92 0.02 A 49 ARG CB C 13 30.15 0.03 A 49 ARG CD C 13 43.25 0.04 A 49 ARG CG C 13 27.55 0.04 A 49 ARG N N 15 121.9 0.01 A 50 GLU H H 1 8.25 0.003 A 50 GLU HA H 1 4.15 0.002 A 50 GLU HBy H 1 2.13 0.004 A 50 GLU HBx H 1 1.93 0.005 A 50 GLU HGx H 1 2.33 0.006 A 50 GLU HGy H 1 2.33 0.006 A 50 GLU C C 13 179.6 0.00 A 50 GLU CA C 13 58.14 0.03 A 50 GLU CB C 13 29.92 0.04 A 50 GLU N N 15 120 0.02 A 51 LYS H H 1 7.97 0.003 A 51 LYS HA H 1 4.30 0.005 A 51 LYS HBx H 1 1.89 0.006 A 51 LYS HBy H 1 1.89 0.006 A 51 LYS HDx H 1 1.466 0.006 A 51 LYS HDy H 1 1.466 0.006 A 51 LYS HEx H 1 2.99 0.006 A 51 LYS HEy H 1 2.99 0.006 A 51 LYS HGx H 1 1.68 0.004 A 51 LYS HGy H 1 1.68 0.004 A 51 LYS C C 13 178.5 0.01 A 51 LYS CA C 13 56.93 0.04 A 51 LYS CB C 13 32.35 0.03 A 51 LYS CD C 13 29.26 0.05 A 51 LYS CE C 13 42.54 0.06 A 51 LYS CG C 13 25.27 0.05 A 51 LYS N N 15 119.2 0.02 A 52 LYS H H 1 8.11 0.004 A 52 LYS HA H 1 4.27 0.003 A 52 LYS HBx H 1 1.89 0.00 A 52 LYS HBy H 1 1.89 0.00 A 52 LYS HDx H 1 1.49 0.004 A 52 LYS HDy H 1 1.49 0.004 A 52 LYS HEx H 1 2.99 0.00 A 52 LYS HEy H 1 2.99 0.00 A 52 LYS HGx H 1 1.68 0.00 A 52 LYS HGy H 1 1.68 0.00 A 52 LYS C C 13 178.1 0.02 A 52 LYS CA C 13 57.14 0.04 A 52 LYS CB C 13 32.39 0.03 A 52 LYS CD C 13 28.78 0.05 A 52 LYS CG C 13 24.86 0.05 A 52 LYS N N 15 120.3 0.01 A 53 LEU H H 1 8.23 0.003 A 53 LEU HA H 1 4.01 0.003 A 53 LEU HBx H 1 1.74 0.005 A 53 LEU HBy H 1 1.74 0.005 A 53 LEU HDx% H 1 0.91 0.006 A 53 LEU HDy% H 1 0.91 0.006 A 53 LEU C C 13 178.7 0.03 A 53 LEU CA C 13 58.6 0.02 A 53 LEU CB C 13 41.56 0.04 A 53 LEU CDx C 13 24.78 0.03 A 53 LEU N N 15 120.1 0.02 A 54 LEU H H 1 7.92 0.003 A 54 LEU HA H 1 4.06 0.00 A 54 LEU HBy H 1 1.88 0.002 A 54 LEU HBx H 1 1.65 0.004 A 54 LEU HDx% H 1 0.91 0.00 A 54 LEU HDy% H 1 0.91 0.00 A 54 LEU C C 13 177.2 0.02 A 54 LEU CA C 13 58.06 0.04 A 54 LEU CB C 13 41.23 0.00 A 54 LEU N N 15 117.3 0.02 A 55 GLU H H 1 7.96 0.004 A 55 GLU HA H 1 4.25 0.003 A 55 GLU HBx H 1 1.88 0.004 A 55 GLU HBy H 1 1.88 0.004 A 55 GLU HGx H 1 2.27 0.004 A 55 GLU HGy H 1 2.27 0.004 A 55 GLU CA C 13 58.68 0.03 A 55 GLU CB C 13 29.9 0.04 A 55 GLU N N 15 115.7 0.04 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 5 ASP H A 5 ASP HA 1.0 . 5.0 2 2 A 5 ASP H A 5 ASP HBy 1.0 . 4.3 3 3 A 5 ASP H A 5 ASP HBx 1.0 . 4.3 4 4 A 5 ASP HA A 5 ASP HBy 1.0 . 5.0 5 5 A 5 ASP HA A 5 ASP HBx 1.0 . 5.0 6 6 A 6 HIS H A 6 HIS HA 1.0 . 5.0 7 7 A 6 HIS H A 6 HIS HBy 1.0 . 2.8 8 8 A 6 HIS H A 6 HIS HBx 1.0 . 2.8 9 9 A 6 HIS HA A 6 HIS HBy 1.0 . 5.0 10 10 A 6 HIS HA A 6 HIS HBx 1.0 . 5.0 11 11 A 5 ASP HA A 6 HIS H 1.0 . 4.3 12 12 A 7 ALA H A 7 ALA HA 1.0 . 5.0 13 13 A 7 ALA H A 7 ALA HB% 1.0 . 4.3 14 14 A 7 ALA HA A 7 ALA HB% 1.0 . 4.3 15 15 A 6 HIS HA A 7 ALA H 1.0 . 5.0 16 16 A 6 HIS HBy A 7 ALA H 1.0 . 5.0 17 17 A 6 HIS HBx A 7 ALA H 1.0 . 3.3 18 18 A 8 ARG H A 8 ARG HA 1.0 . 5.0 19 19 A 8 ARG H A 8 ARG HBx 1.0 . 3.8 20 19 A 8 ARG H A 8 ARG HBy 1.0 . 3.8 21 20 A 8 ARG H A 8 ARG HGx 1.0 . 5.5 22 20 A 8 ARG H A 8 ARG HGy 1.0 . 5.5 23 21 A 8 ARG H A 8 ARG HDx 1.0 . 6.0 24 21 A 8 ARG H A 8 ARG HDy 1.0 . 6.0 25 22 A 8 ARG HA A 8 ARG HBx 1.0 . 4.3 26 22 A 8 ARG HA A 8 ARG HBy 1.0 . 4.3 27 23 A 8 ARG HA A 8 ARG HGx 1.0 . 5.5 28 23 A 8 ARG HA A 8 ARG HGy 1.0 . 5.5 29 24 A 8 ARG HA A 8 ARG HDx 1.0 . 6.0 30 24 A 8 ARG HA A 8 ARG HDy 1.0 . 6.0 31 25 A 7 ALA HA A 8 ARG H 1.0 . 5.0 32 26 A 7 ALA HB% A 8 ARG H 1.0 . 4.3 33 27 A 9 PHE H A 9 PHE HA 1.0 . 5.0 34 28 A 9 PHE H A 9 PHE HBy 1.0 . 4.3 35 29 A 9 PHE H A 9 PHE HBx 1.0 . 4.3 36 30 A 9 PHE H A 9 PHE HD% 1.0 . 6.3 37 31 A 9 PHE HA A 9 PHE HBy 1.0 . 5.0 38 32 A 9 PHE HA A 9 PHE HBx 1.0 . 5.0 39 33 A 9 PHE HA A 9 PHE HD% 1.0 . 6.3 40 34 A 8 ARG HA A 9 PHE H 1.0 . 5.0 41 35 A 9 PHE H A 8 ARG HBx 1.0 . 4.3 42 35 A 8 ARG HBy A 9 PHE H 1.0 . 4.3 43 36 A 9 PHE H A 8 ARG HGx 1.0 . 3.8 44 36 A 8 ARG HGy A 9 PHE H 1.0 . 3.8 45 37 A 9 PHE H A 8 ARG HDx 1.0 . 6.0 46 37 A 8 ARG HDy A 9 PHE H 1.0 . 6.0 47 38 A 10 LEU H A 10 LEU HA 1.0 . 5.0 48 39 A 10 LEU H A 10 LEU HBy 1.0 . 4.3 49 40 A 10 LEU H A 10 LEU HBx 1.0 . 4.3 50 41 A 10 LEU H A 10 LEU HG 1.0 . 5.0 51 42 A 10 LEU H A 10 LEU HDx% 1.0 . 5.5 52 43 A 10 LEU H A 10 LEU HDy% 1.0 . 5.5 53 44 A 10 LEU HA A 10 LEU HBy 1.0 . 4.3 54 45 A 10 LEU HA A 10 LEU HBx 1.0 . 4.3 55 46 A 10 LEU HA A 10 LEU HG 1.0 . 3.3 56 47 A 10 LEU HA A 10 LEU HDx% 1.0 . 4.3 57 48 A 10 LEU HA A 10 LEU HDy% 1.0 . 4.3 58 49 A 9 PHE HA A 10 LEU H 1.0 . 5.0 59 50 A 9 PHE HBy A 10 LEU H 1.0 . 4.3 60 51 A 9 PHE HBx A 10 LEU H 1.0 . 3.3 61 52 A 11 GLN H A 11 GLN HA 1.0 . 5.0 62 53 A 11 GLN H A 11 GLN HBx 1.0 . 4.3 63 53 A 11 GLN H A 11 GLN HBy 1.0 . 4.3 64 54 A 11 GLN H A 11 GLN HGx 1.0 . 5.5 65 54 A 11 GLN H A 11 GLN HGy 1.0 . 5.5 66 55 A 11 GLN HA A 11 GLN HBx 1.0 . 4.3 67 55 A 11 GLN HA A 11 GLN HBy 1.0 . 4.3 68 56 A 11 GLN HA A 11 GLN HGx 1.0 . 3.8 69 56 A 11 GLN HA A 11 GLN HGy 1.0 . 3.8 70 57 A 10 LEU HA A 11 GLN H 1.0 . 5.0 71 58 A 10 LEU HBy A 11 GLN H 1.0 . 3.3 72 59 A 10 LEU HBx A 11 GLN H 1.0 . 3.3 73 60 A 10 LEU HG A 11 GLN H 1.0 . 5.0 74 61 A 10 LEU HDx% A 11 GLN H 1.0 . 6.0 75 62 A 10 LEU HDy% A 11 GLN H 1.0 . 6.0 76 63 A 12 THR H A 12 THR HA 1.0 . 5.0 77 64 A 12 THR H A 12 THR HB 1.0 . 3.3 78 65 A 12 THR H A 12 THR HG2% 1.0 . 5.0 79 66 A 12 THR HA A 12 THR HB 1.0 . 4.3 80 67 A 12 THR HA A 12 THR HG2% 1.0 . 3.8 81 68 A 11 GLN HA A 12 THR H 1.0 . 5.0 82 69 A 12 THR H A 11 GLN HBx 1.0 . 3.8 83 69 A 11 GLN HBy A 12 THR H 1.0 . 3.8 84 70 A 12 THR H A 11 GLN HGx 1.0 . 5.0 85 70 A 11 GLN HGy A 12 THR H 1.0 . 5.0 86 71 A 13 ALA H A 13 ALA HA 1.0 . 5.0 87 72 A 13 ALA H A 13 ALA HB% 1.0 . 3.8 88 73 A 13 ALA HA A 13 ALA HB% 1.0 . 4.3 89 74 A 12 THR HA A 13 ALA H 1.0 . 4.3 90 75 A 12 THR HB A 13 ALA H 1.0 . 3.3 91 76 A 12 THR HG2% A 13 ALA H 1.0 . 5.0 92 77 A 14 LYS H A 14 LYS HA 1.0 . 5.0 93 78 A 14 LYS H A 14 LYS HBx 1.0 . 3.3 94 78 A 14 LYS H A 14 LYS HBy 1.0 . 3.3 95 79 A 14 LYS H A 14 LYS HGx 1.0 . 5.5 96 79 A 14 LYS H A 14 LYS HGy 1.0 . 5.5 97 80 A 14 LYS H A 14 LYS HDx 1.0 . 6.0 98 80 A 14 LYS H A 14 LYS HDy 1.0 . 6.0 99 81 A 14 LYS HA A 14 LYS HBx 1.0 . 3.3 100 81 A 14 LYS HA A 14 LYS HBy 1.0 . 3.3 101 82 A 14 LYS HA A 14 LYS HGx 1.0 . 3.8 102 82 A 14 LYS HA A 14 LYS HGy 1.0 . 3.8 103 83 A 14 LYS HA A 14 LYS HDx 1.0 . 5.0 104 83 A 14 LYS HA A 14 LYS HDy 1.0 . 5.0 105 84 A 13 ALA HA A 14 LYS H 1.0 . 4.3 106 85 A 13 ALA HB% A 14 LYS H 1.0 . 3.8 107 86 A 15 ASN H A 15 ASN HA 1.0 . 5.0 108 87 A 15 ASN H A 15 ASN HBy 1.0 . 3.3 109 88 A 15 ASN H A 15 ASN HBx 1.0 . 3.3 110 89 A 15 ASN HA A 15 ASN HBy 1.0 . 4.3 111 90 A 15 ASN HA A 15 ASN HBx 1.0 . 4.3 112 91 A 14 LYS HA A 15 ASN H 1.0 . 4.3 113 92 A 15 ASN H A 14 LYS HBx 1.0 . 3.3 114 92 A 14 LYS HBy A 15 ASN H 1.0 . 3.3 115 93 A 15 ASN H A 14 LYS HGx 1.0 . 5.0 116 93 A 14 LYS HGy A 15 ASN H 1.0 . 5.0 117 94 A 15 ASN H A 14 LYS HDx 1.0 . 6.0 118 94 A 14 LYS HDy A 15 ASN H 1.0 . 6.0 119 95 A 16 ILE H A 16 ILE HA 1.0 . 5.0 120 96 A 16 ILE H A 16 ILE HB 1.0 . 3.3 121 97 A 16 ILE H A 16 ILE HD1% 1.0 . 6.0 122 98 A 16 ILE H A 16 ILE HG2% 1.0 . 6.0 123 99 A 16 ILE H A 16 ILE HG1y 1.0 . 5.0 124 100 A 16 ILE H A 16 ILE HG2% 1.0 . 5.0 125 101 A 16 ILE HA A 16 ILE HB 1.0 . 4.3 126 102 A 16 ILE HA A 16 ILE HG1y 1.0 . 3.3 127 103 A 16 ILE HA A 16 ILE HG2% 1.0 . 3.3 128 104 A 16 ILE HA A 16 ILE HD1% 1.0 . 5.0 129 105 A 15 ASN HA A 16 ILE H 1.0 . 4.3 130 106 A 16 ILE H A 15 ASN HBy 1.0 . 4.3 131 107 A 16 ILE H A 15 ASN HBx 1.0 . 4.3 132 108 A 17 THR H A 17 THR HA 1.0 . 5.0 133 109 A 17 THR H A 17 THR HB 1.0 . 3.3 134 110 A 17 THR H A 17 THR HG2% 1.0 . 5.5 135 111 A 17 THR HA A 17 THR HB 1.0 . 5.0 136 112 A 17 THR HA A 17 THR HG2% 1.0 . 3.8 137 113 A 16 ILE HA A 17 THR H 1.0 . 5.0 138 114 A 16 ILE HB A 17 THR H 1.0 . 3.3 139 115 A 16 ILE HD1% A 17 THR H 1.0 . 6.0 140 116 A 16 ILE HG1y A 17 THR H 1.0 . 5.5 141 117 A 16 ILE HG2% A 17 THR H 1.0 . 5.5 142 118 A 18 GLU H A 18 GLU HA 1.0 . 5.0 143 119 A 18 GLU H A 18 GLU HBx 1.0 . 3.8 144 119 A 18 GLU H A 18 GLU HBy 1.0 . 3.8 145 120 A 18 GLU H A 18 GLU HGx 1.0 . 5.5 146 120 A 18 GLU H A 18 GLU HGy 1.0 . 5.5 147 121 A 18 GLU HA A 18 GLU HBx 1.0 . 4.3 148 121 A 18 GLU HA A 18 GLU HBy 1.0 . 4.3 149 122 A 18 GLU HA A 18 GLU HGx 1.0 . 3.8 150 122 A 18 GLU HA A 18 GLU HGy 1.0 . 3.8 151 123 A 17 THR HA A 18 GLU H 1.0 . 5.0 152 124 A 17 THR HB A 18 GLU H 1.0 . 3.3 153 125 A 17 THR HG2% A 18 GLU H 1.0 . 5.5 154 126 A 19 ARG H A 19 ARG HA 1.0 . 5.0 155 127 A 19 ARG H A 19 ARG HBx 1.0 . 3.8 156 127 A 19 ARG H A 19 ARG HBy 1.0 . 3.8 157 128 A 19 ARG H A 19 ARG HGx 1.0 . 4.3 158 128 A 19 ARG H A 19 ARG HGy 1.0 . 4.3 159 129 A 19 ARG H A 19 ARG HDx 1.0 . 6.0 160 129 A 19 ARG H A 19 ARG HDy 1.0 . 6.0 161 130 A 19 ARG HA A 19 ARG HBx 1.0 . 5.0 162 130 A 19 ARG HA A 19 ARG HBy 1.0 . 5.0 163 131 A 19 ARG HA A 19 ARG HGx 1.0 . 3.8 164 131 A 19 ARG HA A 19 ARG HGy 1.0 . 3.8 165 132 A 19 ARG HA A 19 ARG HDx 1.0 . 6.0 166 132 A 19 ARG HA A 19 ARG HDy 1.0 . 6.0 167 133 A 18 GLU HA A 19 ARG H 1.0 . 5.0 168 134 A 19 ARG H A 18 GLU HBx 1.0 . 3.8 169 134 A 18 GLU HBy A 19 ARG H 1.0 . 3.8 170 135 A 19 ARG H A 18 GLU HGx 1.0 . 5.5 171 135 A 18 GLU HGy A 19 ARG H 1.0 . 5.5 172 136 A 20 VAL H A 20 VAL HA 1.0 . 5.0 173 137 A 20 VAL H A 20 VAL HB 1.0 . 3.3 174 138 A 20 VAL H A 20 VAL HGx% 1.0 . 5.5 175 139 A 20 VAL H A 20 VAL HGy% 1.0 . 5.5 176 140 A 20 VAL HA A 20 VAL HB 1.0 . 4.3 177 141 A 20 VAL HA A 20 VAL HGx% 1.0 . 4.3 178 142 A 20 VAL HA A 20 VAL HGy% 1.0 . 3.8 179 143 A 19 ARG HA A 20 VAL H 1.0 . 5.0 180 144 A 20 VAL H A 19 ARG HBx 1.0 . 3.8 181 144 A 19 ARG HBy A 20 VAL H 1.0 . 3.8 182 145 A 20 VAL H A 19 ARG HDx 1.0 . 6.0 183 145 A 19 ARG HDy A 20 VAL H 1.0 . 6.0 184 146 A 21 SER H A 21 SER HA 1.0 . 5.0 185 147 A 21 SER H A 21 SER HBx 1.0 . 3.3 186 147 A 21 SER H A 21 SER HBy 1.0 . 3.3 187 148 A 21 SER HA A 21 SER HBx 1.0 . 4.3 188 148 A 21 SER HA A 21 SER HBy 1.0 . 4.3 189 149 A 20 VAL HA A 21 SER H 1.0 . 4.3 190 150 A 20 VAL HB A 21 SER H 1.0 . 4.3 191 151 A 20 VAL HGx% A 21 SER H 1.0 . 3.8 192 152 A 20 VAL HGy% A 21 SER H 1.0 . 5.0 193 153 A 22 MET H A 22 MET HA 1.0 . 5.0 194 154 A 22 MET H A 22 MET HBx 1.0 . 3.8 195 154 A 22 MET H A 22 MET HBy 1.0 . 3.8 196 155 A 22 MET H A 22 MET HGy 1.0 . 5.5 197 156 A 22 MET H A 22 MET HGx 1.0 . 5.5 198 157 A 22 MET H A 22 MET HE% 1.0 . 6.0 199 158 A 22 MET HA A 22 MET HBx 1.0 . 4.3 200 158 A 22 MET HA A 22 MET HBy 1.0 . 4.3 201 159 A 22 MET HA A 22 MET HGy 1.0 . 3.3 202 160 A 22 MET HA A 22 MET HGx 1.0 . 3.3 203 161 A 22 MET HA A 22 MET HE% 1.0 . 6.0 204 162 A 21 SER HA A 22 MET H 1.0 . 5.0 205 163 A 22 MET H A 21 SER HBx 1.0 . 3.8 206 163 A 21 SER HBy A 22 MET H 1.0 . 3.8 207 164 A 23 ALA H A 23 ALA HA 1.0 . 5.0 208 165 A 23 ALA H A 23 ALA HB% 1.0 . 3.8 209 166 A 23 ALA HA A 23 ALA HB% 1.0 . 3.8 210 167 A 22 MET HA A 23 ALA H 1.0 . 5.0 211 168 A 23 ALA H A 22 MET HBx 1.0 . 3.8 212 168 A 22 MET HBy A 23 ALA H 1.0 . 3.8 213 169 A 22 MET HGy A 23 ALA H 1.0 . 5.0 214 170 A 22 MET HGx A 23 ALA H 1.0 . 5.0 215 171 A 22 MET HE% A 23 ALA H 1.0 . 6.0 216 172 A 24 THR H A 24 THR HA 1.0 . 5.0 217 173 A 24 THR H A 24 THR HB 1.0 . 3.3 218 174 A 24 THR H A 24 THR HG2% 1.0 . 4.8 219 175 A 24 THR HA A 24 THR HB 1.0 . 5.0 220 176 A 24 THR HA A 24 THR HG2% 1.0 . 3.8 221 177 A 23 ALA HA A 24 THR H 1.0 . 5.0 222 178 A 23 ALA HB% A 24 THR H 1.0 . 3.8 223 179 A 25 ALA H A 25 ALA HA 1.0 . 5.0 224 180 A 25 ALA H A 25 ALA HB% 1.0 . 3.8 225 181 A 25 ALA HA A 25 ALA HB% 1.0 . 3.8 226 182 A 24 THR HA A 25 ALA H 1.0 . 5.0 227 183 A 24 THR HB A 25 ALA H 1.0 . 3.3 228 184 A 24 THR HG2% A 25 ALA H 1.0 . 5.5 229 185 A 26 SER H A 26 SER HA 1.0 . 5.0 230 186 A 26 SER H A 26 SER HBx 1.0 . 3.8 231 186 A 26 SER H A 26 SER HBy 1.0 . 3.8 232 187 A 26 SER HA A 26 SER HBx 1.0 . 5.5 233 187 A 26 SER HA A 26 SER HBy 1.0 . 5.5 234 188 A 25 ALA HA A 26 SER H 1.0 . 5.0 235 189 A 25 ALA HB% A 26 SER H 1.0 . 4.3 236 190 A 27 SER H A 27 SER HA 1.0 . 5.0 237 191 A 27 SER H A 27 SER HBx 1.0 . 3.8 238 191 A 27 SER H A 27 SER HBy 1.0 . 3.8 239 192 A 27 SER HA A 27 SER HBx 1.0 . 5.0 240 192 A 27 SER HA A 27 SER HBy 1.0 . 5.0 241 193 A 26 SER HA A 27 SER H 1.0 . 5.0 242 194 A 27 SER H A 26 SER HBx 1.0 . 3.8 243 194 A 26 SER HBy A 27 SER H 1.0 . 3.8 244 195 A 28 GLN H A 28 GLN HA 1.0 . 5.0 245 196 A 28 GLN H A 28 GLN HBy 1.0 . 4.3 246 197 A 28 GLN H A 28 GLN HBx 1.0 . 4.3 247 198 A 28 GLN H A 28 GLN HGx 1.0 . 4.8 248 198 A 28 GLN H A 28 GLN HGy 1.0 . 4.8 249 199 A 28 GLN HA A 28 GLN HBy 1.0 . 3.3 250 200 A 28 GLN HA A 28 GLN HBx 1.0 . 3.3 251 201 A 28 GLN HA A 28 GLN HGx 1.0 . 5.0 252 201 A 28 GLN HA A 28 GLN HGy 1.0 . 5.0 253 202 A 27 SER HA A 28 GLN H 1.0 . 5.0 254 203 A 28 GLN H A 27 SER HBx 1.0 . 3.8 255 203 A 27 SER HBy A 28 GLN H 1.0 . 3.8 256 204 A 29 VAL H A 29 VAL HA 1.0 . 5.0 257 205 A 29 VAL H A 29 VAL HB 1.0 . 4.3 258 206 A 29 VAL H A 29 VAL HGx% 1.0 . 4.8 259 207 A 29 VAL H A 29 VAL HGy% 1.0 . 4.8 260 208 A 29 VAL HA A 29 VAL HB 1.0 . 5.0 261 209 A 29 VAL HA A 29 VAL HGx% 1.0 . 4.8 262 210 A 29 VAL HA A 29 VAL HGy% 1.0 . 4.8 263 211 A 28 GLN HA A 29 VAL H 1.0 . 3.8 264 212 A 28 GLN HBy A 29 VAL H 1.0 . 5.0 265 213 A 28 GLN HBx A 29 VAL H 1.0 . 5.0 266 214 A 29 VAL H A 28 GLN HGx 1.0 . 5.0 267 214 A 28 GLN HGy A 29 VAL H 1.0 . 5.0 268 215 A 30 LEU H A 30 LEU HA 1.0 . 5.0 269 216 A 30 LEU H A 30 LEU HBy 1.0 . 4.3 270 217 A 30 LEU H A 30 LEU HBx 1.0 . 4.3 271 218 A 30 LEU H A 30 LEU HG 1.0 . 5.0 272 219 A 30 LEU H A 30 LEU HDx% 1.0 . 5.0 273 220 A 30 LEU H A 30 LEU HDy% 1.0 . 6.0 274 221 A 30 LEU HA A 30 LEU HBy 1.0 . 5.0 275 222 A 30 LEU HA A 30 LEU HBx 1.0 . 5.0 276 223 A 30 LEU HA A 30 LEU HG 1.0 . 5.0 277 224 A 30 LEU HA A 30 LEU HDx% 1.0 . 6.0 278 225 A 30 LEU HA A 30 LEU HDy% 1.0 . 6.0 279 226 A 29 VAL HA A 30 LEU H 1.0 . 3.8 280 227 A 29 VAL HB A 30 LEU H 1.0 . 5.0 281 228 A 29 VAL HGx% A 30 LEU H 1.0 . 5.5 282 229 A 29 VAL HGy% A 30 LEU H 1.0 . 5.5 283 230 A 31 ILE H A 31 ILE HA 1.0 . 5.0 284 231 A 31 ILE H A 31 ILE HB 1.0 . 4.3 285 232 A 31 ILE H A 31 ILE HG1y 1.0 . 4.8 286 232 A 31 ILE H A 31 ILE HG1x 1.0 . 4.8 287 233 A 31 ILE H A 31 ILE HG2% 1.0 . 5.0 288 234 A 31 ILE H A 31 ILE HD1% 1.0 . 6.0 289 235 A 31 ILE HA A 31 ILE HB 1.0 . 5.0 290 236 A 31 ILE HA A 31 ILE HG1y 1.0 . 3.8 291 236 A 31 ILE HA A 31 ILE HG1x 1.0 . 3.8 292 237 A 31 ILE HA A 31 ILE HG2% 1.0 . 3.8 293 238 A 31 ILE HA A 31 ILE HD1% 1.0 . 6.0 294 239 A 30 LEU HA A 31 ILE H 1.0 . 3.8 295 240 A 30 LEU HBy A 31 ILE H 1.0 . 5.0 296 241 A 30 LEU HBx A 31 ILE H 1.0 . 5.0 297 242 A 30 LEU HG A 31 ILE H 1.0 . 5.0 298 243 A 30 LEU HDx% A 31 ILE H 1.0 . 6.0 299 244 A 32 PRO HA A 32 PRO HBy 1.0 . 4.3 300 244 A 32 PRO HA A 32 PRO HBx 1.0 . 4.3 301 245 A 32 PRO HA A 32 PRO HGy 1.0 . 5.0 302 246 A 32 PRO HA A 32 PRO HGx 1.0 . 5.0 303 247 A 32 PRO HA A 32 PRO HDy 1.0 . 5.0 304 248 A 32 PRO HA A 32 PRO HDx 1.0 . 5.0 305 249 A 31 ILE H A 32 PRO HA 1.0 . 5.0 306 250 A 31 ILE HB A 32 PRO HA 1.0 . 5.0 307 251 A 31 ILE HA A 32 PRO HDy 1.0 . 3.3 308 252 A 31 ILE HA A 32 PRO HDx 1.0 . 3.3 309 253 A 31 ILE HG2% A 32 PRO HDy 1.0 . 4.8 310 254 A 31 ILE HG2% A 32 PRO HDx 1.0 . 6.0 311 255 A 33 GLU H A 33 GLU HA 1.0 . 5.0 312 256 A 33 GLU H A 33 GLU HBy 1.0 . 5.0 313 257 A 33 GLU H A 33 GLU HBx 1.0 . 5.0 314 258 A 33 GLU H A 33 GLU HGy 1.0 . 4.3 315 259 A 33 GLU H A 33 GLU HGx 1.0 . 5.0 316 260 A 33 GLU HA A 33 GLU HBy 1.0 . 5.0 317 261 A 33 GLU HA A 33 GLU HBx 1.0 . 5.0 318 262 A 33 GLU HA A 33 GLU HGy 1.0 . 5.0 319 263 A 33 GLU HA A 33 GLU HGx 1.0 . 5.0 320 264 A 32 PRO HA A 33 GLU H 1.0 . 3.3 321 265 A 31 ILE HD1% A 33 GLU HBy 1.0 . 4.3 322 266 A 34 ILE H A 34 ILE HA 1.0 . 5.0 323 267 A 34 ILE H A 34 ILE HB 1.0 . 3.8 324 268 A 34 ILE H A 34 ILE HG1y 1.0 . 5.0 325 269 A 34 ILE H A 34 ILE HG1x 1.0 . 5.0 326 270 A 34 ILE H A 34 ILE HG2% 1.0 . 5.5 327 271 A 34 ILE H A 34 ILE HD1% 1.0 . 6.0 328 272 A 34 ILE HA A 34 ILE HB 1.0 . 4.3 329 273 A 34 ILE HA A 34 ILE HG1y 1.0 . 5.0 330 274 A 34 ILE HA A 34 ILE HG1x 1.0 . 5.0 331 275 A 34 ILE HA A 34 ILE HG2% 1.0 . 5.5 332 276 A 34 ILE HA A 34 ILE HD1% 1.0 . 6.0 333 277 A 33 GLU HA A 34 ILE H 1.0 . 4.3 334 278 A 33 GLU HBy A 34 ILE H 1.0 . 5.0 335 279 A 33 GLU HBx A 34 ILE H 1.0 . 5.0 336 280 A 33 GLU HGy A 34 ILE H 1.0 . 5.0 337 281 A 33 GLU HGx A 34 ILE H 1.0 . 5.0 338 282 A 35 ASN H A 35 ASN HA 1.0 . 5.0 339 283 A 35 ASN H A 35 ASN HBy 1.0 . 4.3 340 284 A 35 ASN H A 35 ASN HBx 1.0 . 4.3 341 285 A 35 ASN HA A 35 ASN HBy 1.0 . 5.0 342 286 A 35 ASN HA A 35 ASN HBx 1.0 . 4.3 343 287 A 34 ILE HA A 35 ASN H 1.0 . 4.3 344 288 A 34 ILE HB A 35 ASN H 1.0 . 4.3 345 289 A 34 ILE HG1y A 35 ASN H 1.0 . 5.0 346 290 A 34 ILE HG1x A 35 ASN H 1.0 . 5.0 347 291 A 34 ILE HG2% A 35 ASN H 1.0 . 5.0 348 292 A 34 ILE HD1% A 35 ASN H 1.0 . 6.5 349 293 A 36 LEU H A 36 LEU HA 1.0 . 5.0 350 294 A 36 LEU H A 36 LEU HBy 1.0 . 4.3 351 294 A 36 LEU H A 36 LEU HBx 1.0 . 4.3 352 295 A 36 LEU H A 36 LEU HG 1.0 . 5.0 353 296 A 36 LEU H A 36 LEU HDx% 1.0 . 6.0 354 297 A 36 LEU H A 36 LEU HDy% 1.0 . 5.0 355 298 A 36 LEU HA A 36 LEU HBy 1.0 . 5.0 356 298 A 36 LEU HA A 36 LEU HBx 1.0 . 5.0 357 299 A 36 LEU HA A 36 LEU HG 1.0 . 4.3 358 300 A 36 LEU HA A 36 LEU HDx% 1.0 . 6.0 359 301 A 36 LEU HA A 36 LEU HDy% 1.0 . 6.0 360 302 A 35 ASN HA A 36 LEU H 1.0 . 3.8 361 303 A 35 ASN HBy A 36 LEU H 1.0 . 5.0 362 304 A 35 ASN HBx A 36 LEU H 1.0 . 5.0 363 305 A 37 ASN H A 37 ASN HA 1.0 . 5.0 364 306 A 37 ASN H A 37 ASN HBy 1.0 . 3.3 365 306 A 37 ASN H A 37 ASN HBx 1.0 . 3.3 366 307 A 37 ASN HA A 37 ASN HBy 1.0 . 4.3 367 307 A 37 ASN HA A 37 ASN HBx 1.0 . 4.3 368 308 A 36 LEU HA A 37 ASN H 1.0 . 4.3 369 309 A 37 ASN H A 36 LEU HBy 1.0 . 4.3 370 309 A 36 LEU HBx A 37 ASN H 1.0 . 4.3 371 310 A 36 LEU HG A 37 ASN H 1.0 . 4.8 372 311 A 36 LEU HDx% A 37 ASN H 1.0 . 6.0 373 312 A 36 LEU HDy% A 37 ASN H 1.0 . 5.0 374 313 A 38 ASP H A 38 ASP HA 1.0 . 5.0 375 314 A 38 ASP H A 38 ASP HBx 1.0 . 3.3 376 314 A 38 ASP H A 38 ASP HBy 1.0 . 3.3 377 315 A 38 ASP HA A 38 ASP HBx 1.0 . 5.0 378 315 A 38 ASP HA A 38 ASP HBy 1.0 . 5.0 379 316 A 37 ASN HA A 38 ASP H 1.0 . 5.0 380 317 A 38 ASP H A 37 ASN HBy 1.0 . 3.8 381 317 A 37 ASN HBx A 38 ASP H 1.0 . 3.8 382 318 A 39 THR H A 39 THR HA 1.0 . 5.0 383 319 A 39 THR H A 39 THR HB 1.0 . 3.3 384 320 A 39 THR H A 39 THR HG2% 1.0 . 5.0 385 321 A 39 THR HA A 39 THR HB 1.0 . 5.0 386 322 A 39 THR HA A 39 THR HG2% 1.0 . 3.8 387 323 A 38 ASP HA A 39 THR H 1.0 . 5.0 388 324 A 39 THR H A 38 ASP HBx 1.0 . 3.8 389 324 A 38 ASP HBy A 39 THR H 1.0 . 3.8 390 325 A 40 PHE H A 40 PHE HA 1.0 . 5.0 391 326 A 40 PHE H A 40 PHE HBy 1.0 . 3.3 392 327 A 40 PHE H A 40 PHE HBx 1.0 . 3.3 393 328 A 40 PHE H A 40 PHE HDx 1.0 . 5.3 394 328 A 40 PHE H A 40 PHE HDy 1.0 . 5.3 395 329 A 40 PHE HA A 40 PHE HBy 1.0 . 4.3 396 330 A 40 PHE HA A 40 PHE HBx 1.0 . 4.3 397 331 A 40 PHE HA A 40 PHE HDx 1.0 . 6.3 398 331 A 40 PHE HA A 40 PHE HDy 1.0 . 6.3 399 332 A 39 THR HA A 40 PHE H 1.0 . 5.0 400 333 A 39 THR HB A 40 PHE H 1.0 . 3.3 401 334 A 39 THR HG2% A 40 PHE H 1.0 . 5.0 402 335 A 41 ASP H A 41 ASP HA 1.0 . 5.0 403 336 A 41 ASP H A 41 ASP HBy 1.0 . 3.8 404 337 A 41 ASP H A 41 ASP HBx 1.0 . 3.8 405 338 A 41 ASP HA A 41 ASP HBy 1.0 . 5.0 406 339 A 41 ASP HA A 41 ASP HBx 1.0 . 5.0 407 340 A 40 PHE HA A 41 ASP H 1.0 . 5.0 408 341 A 40 PHE HBy A 41 ASP H 1.0 . 3.8 409 342 A 40 PHE HBx A 41 ASP H 1.0 . 4.3 410 343 A 42 THR H A 42 THR HA 1.0 . 5.0 411 344 A 42 THR H A 42 THR HB 1.0 . 3.3 412 345 A 42 THR H A 42 THR HG2% 1.0 . 3.8 413 346 A 42 THR HA A 42 THR HB 1.0 . 5.0 414 347 A 42 THR HA A 42 THR HG2% 1.0 . 3.8 415 348 A 41 ASP HA A 42 THR H 1.0 . 3.8 416 349 A 41 ASP HBy A 42 THR H 1.0 . 3.3 417 350 A 41 ASP HBx A 42 THR H 1.0 . 4.3 418 351 A 43 PHE H A 43 PHE HA 1.0 . 5.0 419 352 A 43 PHE H A 43 PHE HBy 1.0 . 3.8 420 353 A 43 PHE H A 43 PHE HBx 1.0 . 3.8 421 354 A 43 PHE H A 43 PHE HDx 1.0 . 7.3 422 354 A 43 PHE H A 43 PHE HDy 1.0 . 7.3 423 355 A 43 PHE HA A 43 PHE HBy 1.0 . 5.0 424 356 A 43 PHE HA A 43 PHE HBx 1.0 . 5.0 425 357 A 43 PHE HA A 43 PHE HDx 1.0 . 4.3 426 357 A 43 PHE HA A 43 PHE HDy 1.0 . 4.3 427 358 A 42 THR HA A 43 PHE H 1.0 . 5.0 428 359 A 42 THR HB A 43 PHE H 1.0 . 4.3 429 360 A 42 THR HG2% A 43 PHE H 1.0 . 4.3 430 361 A 44 ALA H A 44 ALA HA 1.0 . 5.0 431 362 A 44 ALA H A 44 ALA HB% 1.0 . 3.3 432 363 A 44 ALA HA A 44 ALA HB% 1.0 . 3.8 433 364 A 43 PHE HA A 44 ALA H 1.0 . 4.3 434 365 A 44 ALA H A 43 PHE HBy 1.0 . 4.3 435 366 A 44 ALA H A 43 PHE HBx 1.0 . 4.3 436 367 A 45 LEU H A 45 LEU HA 1.0 . 5.0 437 368 A 45 LEU H A 45 LEU HBy 1.0 . 3.8 438 368 A 45 LEU H A 45 LEU HBx 1.0 . 3.8 439 369 A 45 LEU H A 45 LEU HG 1.0 . 5.0 440 370 A 45 LEU H A 45 LEU HDx% 1.0 . 6.0 441 371 A 45 LEU H A 45 LEU HDy% 1.0 . 6.0 442 372 A 45 LEU HA A 45 LEU HBy 1.0 . 5.0 443 372 A 45 LEU HA A 45 LEU HBx 1.0 . 5.0 444 373 A 45 LEU HA A 45 LEU HG 1.0 . 3.8 445 374 A 45 LEU HA A 45 LEU HDx% 1.0 . 3.8 446 375 A 45 LEU HA A 45 LEU HDy% 1.0 . 5.0 447 376 A 44 ALA HA A 45 LEU H 1.0 . 5.0 448 377 A 44 ALA HB% A 45 LEU H 1.0 . 3.3 449 378 A 46 ASP H A 46 ASP HA 1.0 . 5.0 450 379 A 46 ASP H A 46 ASP HBy 1.0 . 3.8 451 380 A 46 ASP H A 46 ASP HBx 1.0 . 3.8 452 381 A 45 LEU HA A 46 ASP H 1.0 . 4.3 453 382 A 46 ASP H A 45 LEU HBy 1.0 . 3.8 454 382 A 45 LEU HBx A 46 ASP H 1.0 . 3.8 455 383 A 45 LEU HG A 46 ASP H 1.0 . 4.3 456 384 A 45 LEU HDx% A 46 ASP H 1.0 . 4.3 457 385 A 45 LEU HDy% A 46 ASP H 1.0 . 6.0 458 386 A 47 PHE H A 47 PHE HA 1.0 . 5.0 459 387 A 47 PHE H A 47 PHE HBy 1.0 . 3.3 460 388 A 47 PHE H A 47 PHE HBx 1.0 . 3.3 461 389 A 47 PHE H A 47 PHE HDx 1.0 . 6.3 462 389 A 47 PHE H A 47 PHE HDy 1.0 . 6.3 463 390 A 47 PHE HA A 47 PHE HBy 1.0 . 4.3 464 391 A 47 PHE HA A 47 PHE HBx 1.0 . 4.3 465 392 A 47 PHE HA A 47 PHE HDx 1.0 . 5.3 466 392 A 47 PHE HA A 47 PHE HDy 1.0 . 5.3 467 393 A 46 ASP HA A 47 PHE H 1.0 . 4.3 468 394 A 47 PHE H A 46 ASP HBy 1.0 . 3.3 469 395 A 47 PHE H A 46 ASP HBx 1.0 . 3.8 470 396 A 48 SER H A 48 SER HA 1.0 . 5.0 471 397 A 48 SER H A 48 SER HBy 1.0 . 3.3 472 398 A 48 SER H A 48 SER HBx 1.0 . 3.3 473 399 A 48 SER HA A 48 SER HBy 1.0 . 5.0 474 400 A 48 SER HA A 48 SER HBx 1.0 . 5.0 475 401 A 47 PHE HA A 48 SER H 1.0 . 5.0 476 402 A 48 SER H A 47 PHE HBy 1.0 . 4.3 477 403 A 48 SER H A 47 PHE HBx 1.0 . 3.3 478 404 A 48 SER HA A 51 LYS HDx 1.0 . 4.8 479 404 A 48 SER HA A 51 LYS HDy 1.0 . 4.8 480 405 A 49 ARG H A 49 ARG HA 1.0 . 5.0 481 406 A 49 ARG H A 49 ARG HBx 1.0 . 3.8 482 406 A 49 ARG H A 49 ARG HBy 1.0 . 3.8 483 407 A 49 ARG H A 49 ARG HGx 1.0 . 4.3 484 407 A 49 ARG H A 49 ARG HGy 1.0 . 4.3 485 408 A 49 ARG H A 49 ARG HDx 1.0 . 5.5 486 408 A 49 ARG H A 49 ARG HDy 1.0 . 5.5 487 409 A 49 ARG HA A 49 ARG HBx 1.0 . 4.3 488 409 A 49 ARG HA A 49 ARG HBy 1.0 . 4.3 489 410 A 49 ARG HA A 49 ARG HGx 1.0 . 3.8 490 410 A 49 ARG HA A 49 ARG HGy 1.0 . 3.8 491 411 A 49 ARG HA A 49 ARG HDx 1.0 . 5.5 492 411 A 49 ARG HA A 49 ARG HDy 1.0 . 5.5 493 412 A 48 SER HA A 49 ARG H 1.0 . 5.0 494 413 A 48 SER HBy A 49 ARG H 1.0 . 4.3 495 414 A 48 SER HBx A 49 ARG H 1.0 . 3.3 496 415 A 50 GLU H A 50 GLU HA 1.0 . 5.0 497 416 A 50 GLU H A 50 GLU HBy 1.0 . 3.3 498 417 A 50 GLU H A 50 GLU HBx 1.0 . 3.3 499 418 A 50 GLU H A 50 GLU HGx 1.0 . 5.5 500 418 A 50 GLU H A 50 GLU HGy 1.0 . 5.5 501 419 A 50 GLU HA A 50 GLU HBy 1.0 . 5.0 502 420 A 50 GLU HA A 50 GLU HBx 1.0 . 5.0 503 421 A 50 GLU HA A 50 GLU HGx 1.0 . 3.8 504 421 A 50 GLU HA A 50 GLU HGy 1.0 . 3.8 505 422 A 49 ARG HA A 50 GLU H 1.0 . 5.0 506 423 A 50 GLU H A 49 ARG HBx 1.0 . 3.8 507 423 A 49 ARG HBy A 50 GLU H 1.0 . 3.8 508 424 A 50 GLU H A 49 ARG HGx 1.0 . 5.0 509 424 A 49 ARG HGy A 50 GLU H 1.0 . 5.0 510 425 A 50 GLU H A 49 ARG HDx 1.0 . 5.0 511 425 A 49 ARG HDy A 50 GLU H 1.0 . 5.0 512 426 A 51 LYS H A 51 LYS HA 1.0 . 5.0 513 427 A 51 LYS H A 51 LYS HBy 1.0 . 3.8 514 427 A 51 LYS H A 51 LYS HBx 1.0 . 3.8 515 428 A 51 LYS H A 51 LYS HGx 1.0 . 4.3 516 428 A 51 LYS H A 51 LYS HGy 1.0 . 4.3 517 429 A 51 LYS H A 51 LYS HDx 1.0 . 6.0 518 429 A 51 LYS HDy A 51 LYS H 1.0 . 6.0 519 430 A 51 LYS H A 51 LYS HEx 1.0 . 6.0 520 430 A 51 LYS H A 51 LYS HEy 1.0 . 6.0 521 431 A 51 LYS HA A 51 LYS HBy 1.0 . 4.3 522 431 A 51 LYS HA A 51 LYS HBx 1.0 . 4.3 523 432 A 51 LYS HA A 51 LYS HGx 1.0 . 3.8 524 432 A 51 LYS HA A 51 LYS HGy 1.0 . 3.8 525 433 A 51 LYS HA A 51 LYS HDx 1.0 . 5.0 526 433 A 51 LYS HDy A 51 LYS HA 1.0 . 5.0 527 434 A 51 LYS HA A 51 LYS HDx 1.0 . 5.0 528 434 A 51 LYS HDy A 51 LYS HA 1.0 . 5.0 529 435 A 51 LYS HEy A 52 LYS HA 1.0 . 5.0 530 436 A 51 LYS HEy A 52 LYS HBx 1.0 . 4.3 531 437 A 51 LYS HEy A 52 LYS HGy 1.0 . 4.8 532 438 A 51 LYS HEy A 52 LYS HDy 1.0 . 3.3 533 439 A 52 LYS HA A 52 LYS H 1.0 . 5.0 534 440 A 52 LYS H A 52 LYS HBy 1.0 . 3.8 535 440 A 52 LYS H A 52 LYS HBx 1.0 . 3.8 536 441 A 52 LYS H A 52 LYS HGy 1.0 . 4.3 537 441 A 52 LYS H A 52 LYS HGx 1.0 . 4.3 538 442 A 52 LYS H A 52 LYS HDy 1.0 . 6.0 539 442 A 52 LYS H A 52 LYS HDx 1.0 . 6.0 540 443 A 52 LYS HA A 52 LYS HBy 1.0 . 4.3 541 443 A 52 LYS HA A 52 LYS HBx 1.0 . 4.3 542 444 A 52 LYS HA A 52 LYS HGy 1.0 . 4.8 543 444 A 52 LYS HA A 52 LYS HGx 1.0 . 4.8 544 445 A 52 LYS HA A 52 LYS HDy 1.0 . 5.0 545 445 A 52 LYS HA A 52 LYS HDx 1.0 . 5.0 546 446 A 51 LYS HA A 52 LYS H 1.0 . 5.0 547 447 A 52 LYS H A 51 LYS HBy 1.0 . 3.8 548 447 A 51 LYS HBx A 52 LYS H 1.0 . 3.8 549 448 A 52 LYS H A 51 LYS HGx 1.0 . 4.3 550 448 A 51 LYS HGy A 52 LYS H 1.0 . 4.3 551 449 A 52 LYS H A 51 LYS HDx 1.0 . 6.0 552 449 A 51 LYS HDy A 52 LYS H 1.0 . 6.0 553 450 A 52 LYS H A 51 LYS HEx 1.0 . 6.0 554 450 A 51 LYS HEy A 52 LYS H 1.0 . 6.0 555 451 A 53 LEU H A 53 LEU HA 1.0 . 5.0 556 452 A 53 LEU H A 53 LEU HBx 1.0 . 3.3 557 453 A 53 LEU H A 53 LEU HBy 1.0 . 3.3 558 454 A 53 LEU H A 53 LEU HG 1.0 . 5.0 559 455 A 53 LEU H A 53 LEU HDy% 1.0 . 6.0 560 456 A 53 LEU HA A 53 LEU HBx 1.0 . 5.0 561 457 A 53 LEU HA A 53 LEU HBy 1.0 . 5.0 562 458 A 53 LEU HA A 53 LEU HG 1.0 . 3.8 563 459 A 53 LEU HA A 53 LEU HDy% 1.0 . 5.0 564 460 A 52 LYS HA A 53 LEU H 1.0 . 5.0 565 461 A 53 LEU H A 52 LYS HBy 1.0 . 3.8 566 461 A 52 LYS HBx A 53 LEU H 1.0 . 3.8 567 462 A 53 LEU H A 52 LYS HGy 1.0 . 4.3 568 462 A 52 LYS HGx A 53 LEU H 1.0 . 4.3 569 463 A 53 LEU H A 52 LYS HDy 1.0 . 5.0 570 463 A 52 LYS HDx A 53 LEU H 1.0 . 5.0 571 464 A 53 LEU H A 52 LYS HEx 1.0 . 6.0 572 464 A 53 LEU H A 52 LYS HEy 1.0 . 6.0 573 465 A 54 LEU H A 54 LEU HA 1.0 . 5.0 574 466 A 54 LEU H A 54 LEU HBy 1.0 . 3.3 575 467 A 54 LEU H A 54 LEU HBx 1.0 . 3.3 576 468 A 54 LEU H A 54 LEU HG 1.0 . 5.0 577 469 A 54 LEU H A 54 LEU HDy% 1.0 . 6.0 578 470 A 54 LEU HA A 54 LEU HBy 1.0 . 5.0 579 471 A 54 LEU HA A 54 LEU HBx 1.0 . 5.0 580 472 A 54 LEU HA A 54 LEU HG 1.0 . 3.8 581 473 A 54 LEU HA A 54 LEU HDy% 1.0 . 5.0 582 474 A 55 GLU H A 55 GLU HA 1.0 . 5.0 583 475 A 55 GLU H A 55 GLU HBx 1.0 . 3.3 584 476 A 55 GLU H A 55 GLU HBy 1.0 . 3.3 585 477 A 55 GLU H A 55 GLU HGx 1.0 . 5.0 586 477 A 55 GLU H A 55 GLU HGy 1.0 . 5.0 587 478 A 55 GLU HA A 55 GLU HBx 1.0 . 5.0 588 479 A 55 GLU HA A 55 GLU HBy 1.0 . 5.0 589 480 A 55 GLU HA A 55 GLU HGx 1.0 . 3.8 590 480 A 55 GLU HA A 55 GLU HGy 1.0 . 3.8 591 481 A 5 ASP H A 6 HIS H 1.0 . 4.3 592 482 A 6 HIS H A 7 ALA H 1.0 . 2.8 593 483 A 7 ALA H A 8 ARG H 1.0 . 2.8 594 484 A 8 ARG H A 9 PHE H 1.0 . 2.8 595 485 A 9 PHE H A 10 LEU H 1.0 . 2.8 596 486 A 10 LEU H A 11 GLN H 1.0 . 2.8 597 487 A 11 GLN H A 12 THR H 1.0 . 2.8 598 488 A 12 THR H A 13 ALA H 1.0 . 2.8 599 489 A 13 ALA H A 14 LYS H 1.0 . 2.8 600 490 A 14 LYS H A 15 ASN H 1.0 . 2.8 601 491 A 15 ASN H A 16 ILE H 1.0 . 2.8 602 492 A 16 ILE H A 17 THR H 1.0 . 2.8 603 493 A 17 THR H A 18 GLU H 1.0 . 2.8 604 494 A 18 GLU H A 19 ARG H 1.0 . 2.8 605 495 A 19 ARG H A 20 VAL H 1.0 . 2.8 606 496 A 21 SER H A 22 MET H 1.0 . 2.8 607 497 A 22 MET H A 23 ALA H 1.0 . 2.8 608 498 A 23 ALA H A 24 THR H 1.0 . 2.8 609 499 A 24 THR H A 25 ALA H 1.0 . 2.8 610 500 A 25 ALA H A 26 SER H 1.0 . 2.8 611 501 A 26 SER H A 27 SER H 1.0 . 2.8 612 502 A 27 SER H A 28 GLN H 1.0 . 2.8 613 503 A 28 GLN H A 29 VAL H 1.0 . 2.8 614 504 A 29 VAL H A 30 LEU H 1.0 . 2.8 615 505 A 30 LEU H A 31 ILE H 1.0 . 3.8 616 506 A 5 ASP H A 7 ALA H 1.0 . 5.0 617 507 A 6 HIS H A 8 ARG H 1.0 . 5.0 618 508 A 7 ALA H A 9 PHE H 1.0 . 5.0 619 509 A 8 ARG H A 10 LEU H 1.0 . 5.0 620 510 A 9 PHE H A 11 GLN H 1.0 . 5.0 621 511 A 10 LEU H A 12 THR H 1.0 . 5.0 622 512 A 11 GLN H A 13 ALA H 1.0 . 5.0 623 513 A 12 THR H A 14 LYS H 1.0 . 5.0 624 514 A 13 ALA H A 15 ASN H 1.0 . 5.0 625 515 A 14 LYS H A 16 ILE H 1.0 . 5.0 626 516 A 15 ASN H A 17 THR H 1.0 . 5.0 627 517 A 16 ILE H A 18 GLU H 1.0 . 5.0 628 518 A 17 THR H A 19 ARG H 1.0 . 5.0 629 519 A 18 GLU H A 20 VAL H 1.0 . 5.0 630 520 A 19 ARG H A 21 SER H 1.0 . 5.0 631 521 A 20 VAL H A 22 MET H 1.0 . 5.0 632 522 A 21 SER H A 23 ALA H 1.0 . 5.0 633 523 A 22 MET H A 24 THR H 1.0 . 5.0 634 524 A 23 ALA H A 25 ALA H 1.0 . 5.0 635 525 A 24 THR H A 26 SER H 1.0 . 5.0 636 526 A 25 ALA H A 27 SER H 1.0 . 5.0 637 527 A 26 SER H A 28 GLN H 1.0 . 5.0 638 528 A 27 SER H A 29 VAL H 1.0 . 5.0 639 529 A 28 GLN H A 30 LEU H 1.0 . 5.0 640 530 A 29 VAL H A 31 ILE H 1.0 . 5.0 641 531 A 5 ASP H A 8 ARG H 1.0 . 5.0 642 532 A 6 HIS H A 9 PHE H 1.0 . 5.0 643 533 A 7 ALA H A 10 LEU H 1.0 . 5.0 644 534 A 8 ARG H A 11 GLN H 1.0 . 5.0 645 535 A 9 PHE H A 12 THR H 1.0 . 5.0 646 536 A 10 LEU H A 13 ALA H 1.0 . 5.0 647 537 A 11 GLN H A 14 LYS H 1.0 . 5.0 648 538 A 12 THR H A 15 ASN H 1.0 . 5.0 649 539 A 13 ALA H A 16 ILE H 1.0 . 5.0 650 540 A 14 LYS H A 17 THR H 1.0 . 5.0 651 541 A 15 ASN H A 18 GLU H 1.0 . 5.0 652 542 A 16 ILE H A 19 ARG H 1.0 . 5.0 653 543 A 17 THR H A 20 VAL H 1.0 . 5.0 654 544 A 18 GLU H A 21 SER H 1.0 . 5.0 655 545 A 19 ARG H A 22 MET H 1.0 . 5.0 656 546 A 20 VAL H A 23 ALA H 1.0 . 5.0 657 547 A 21 SER H A 24 THR H 1.0 . 5.0 658 548 A 22 MET H A 25 ALA H 1.0 . 5.0 659 549 A 23 ALA H A 26 SER H 1.0 . 5.0 660 550 A 24 THR H A 27 SER H 1.0 . 5.0 661 551 A 25 ALA H A 28 GLN H 1.0 . 5.0 662 552 A 7 ALA HA A 8 ARG H 1.0 . 5.0 663 553 A 8 ARG HA A 9 PHE H 1.0 . 5.0 664 554 A 9 PHE HA A 10 LEU H 1.0 . 5.0 665 555 A 10 LEU HA A 11 GLN H 1.0 . 5.0 666 556 A 11 GLN HA A 12 THR H 1.0 . 5.0 667 557 A 12 THR HA A 13 ALA H 1.0 . 5.0 668 558 A 13 ALA HA A 14 LYS H 1.0 . 5.0 669 559 A 14 LYS HA A 15 ASN H 1.0 . 5.0 670 560 A 15 ASN HA A 16 ILE H 1.0 . 5.0 671 561 A 16 ILE HA A 17 THR H 1.0 . 5.0 672 562 A 17 THR HA A 18 GLU H 1.0 . 5.0 673 563 A 18 GLU HA A 19 ARG H 1.0 . 5.0 674 564 A 19 ARG HA A 20 VAL H 1.0 . 5.0 675 565 A 20 VAL HA A 21 SER H 1.0 . 5.0 676 566 A 21 SER HA A 22 MET H 1.0 . 5.0 677 567 A 22 MET HA A 23 ALA H 1.0 . 5.0 678 568 A 23 ALA HA A 24 THR H 1.0 . 5.0 679 569 A 24 THR HA A 25 ALA H 1.0 . 5.0 680 570 A 25 ALA HA A 26 SER H 1.0 . 5.0 681 571 A 26 SER HA A 27 SER H 1.0 . 5.0 682 572 A 27 SER HA A 28 GLN H 1.0 . 5.0 683 573 A 6 HIS HA A 8 ARG H 1.0 . 5.0 684 574 A 7 ALA HA A 9 PHE H 1.0 . 5.0 685 575 A 8 ARG HA A 10 LEU H 1.0 . 5.0 686 576 A 9 PHE HA A 11 GLN H 1.0 . 5.0 687 577 A 10 LEU HA A 12 THR H 1.0 . 5.0 688 578 A 11 GLN HA A 13 ALA H 1.0 . 5.0 689 579 A 12 THR HA A 14 LYS H 1.0 . 5.0 690 580 A 13 ALA HA A 15 ASN H 1.0 . 5.0 691 581 A 14 LYS HA A 16 ILE H 1.0 . 5.0 692 582 A 15 ASN HA A 17 THR H 1.0 . 5.0 693 583 A 16 ILE HA A 18 GLU H 1.0 . 5.0 694 584 A 17 THR HA A 19 ARG H 1.0 . 5.0 695 585 A 18 GLU HA A 20 VAL H 1.0 . 5.0 696 586 A 19 ARG HA A 21 SER H 1.0 . 5.0 697 587 A 20 VAL HA A 22 MET H 1.0 . 5.0 698 588 A 21 SER HA A 23 ALA H 1.0 . 5.0 699 589 A 22 MET HA A 24 THR H 1.0 . 5.0 700 590 A 23 ALA HA A 25 ALA H 1.0 . 5.0 701 591 A 24 THR HA A 26 SER H 1.0 . 5.0 702 592 A 25 ALA HA A 27 SER H 1.0 . 5.0 703 593 A 26 SER HA A 28 GLN H 1.0 . 5.0 704 594 A 5 ASP HA A 8 ARG H 1.0 . 5.0 705 595 A 6 HIS HA A 9 PHE H 1.0 . 5.0 706 596 A 7 ALA HA A 10 LEU H 1.0 . 5.0 707 597 A 8 ARG HA A 11 GLN H 1.0 . 5.0 708 598 A 9 PHE HA A 12 THR H 1.0 . 5.0 709 599 A 10 LEU HA A 13 ALA H 1.0 . 5.0 710 600 A 11 GLN HA A 14 LYS H 1.0 . 5.0 711 601 A 12 THR HA A 15 ASN H 1.0 . 5.0 712 602 A 13 ALA HA A 16 ILE H 1.0 . 5.0 713 603 A 14 LYS HA A 17 THR H 1.0 . 5.0 714 604 A 15 ASN HA A 18 GLU H 1.0 . 5.0 715 605 A 16 ILE HA A 19 ARG H 1.0 . 5.0 716 606 A 17 THR HA A 20 VAL H 1.0 . 5.0 717 607 A 18 GLU HA A 21 SER H 1.0 . 5.0 718 608 A 19 ARG HA A 22 MET H 1.0 . 5.0 719 609 A 20 VAL HA A 23 ALA H 1.0 . 5.0 720 610 A 21 SER HA A 24 THR H 1.0 . 5.0 721 611 A 22 MET HA A 25 ALA H 1.0 . 5.0 722 612 A 23 ALA HA A 26 SER H 1.0 . 5.0 723 613 A 24 THR HA A 27 SER H 1.0 . 5.0 724 614 A 25 ALA HA A 28 GLN H 1.0 . 5.0 725 615 A 6 HIS HA A 10 LEU H 1.0 . 5.0 726 616 A 8 ARG HA A 12 THR H 1.0 . 5.0 727 617 A 9 PHE HA A 13 ALA H 1.0 . 5.0 728 618 A 10 LEU HA A 14 LYS H 1.0 . 5.0 729 619 A 11 GLN HA A 15 ASN H 1.0 . 5.0 730 620 A 12 THR HA A 16 ILE H 1.0 . 5.0 731 621 A 13 ALA HA A 17 THR H 1.0 . 5.0 732 622 A 14 LYS HA A 18 GLU H 1.0 . 5.0 733 623 A 15 ASN HA A 19 ARG H 1.0 . 5.0 734 624 A 16 ILE HA A 20 VAL H 1.0 . 5.0 735 625 A 17 THR HA A 21 SER H 1.0 . 5.0 736 626 A 18 GLU HA A 22 MET H 1.0 . 5.0 737 627 A 19 ARG HA A 23 ALA H 1.0 . 5.0 738 628 A 20 VAL HA A 24 THR H 1.0 . 5.0 739 629 A 21 SER HA A 25 ALA H 1.0 . 5.0 740 630 A 22 MET HA A 26 SER H 1.0 . 5.0 741 631 A 23 ALA HA A 27 SER H 1.0 . 5.0 742 632 A 24 THR HA A 28 GLN H 1.0 . 5.0 743 633 A 6 HIS HA A 9 PHE HBy 1.0 . 3.8 744 634 A 6 HIS HA A 9 PHE HBx 1.0 . 3.8 745 635 A 7 ALA HA A 10 LEU HBy 1.0 . 3.8 746 636 A 7 ALA HA A 10 LEU HBx 1.0 . 3.8 747 637 A 8 ARG HA A 11 GLN HBx 1.0 . 4.3 748 637 A 8 ARG HA A 11 GLN HBy 1.0 . 4.3 749 638 A 9 PHE HA A 12 THR HB 1.0 . 3.8 750 639 A 10 LEU HA A 13 ALA HB% 1.0 . 3.8 751 640 A 11 GLN HA A 14 LYS HBx 1.0 . 3.8 752 640 A 11 GLN HA A 14 LYS HBy 1.0 . 3.8 753 641 A 12 THR HA A 15 ASN HBy 1.0 . 3.8 754 641 A 12 THR HA A 15 ASN HBx 1.0 . 3.8 755 642 A 13 ALA HA A 16 ILE HB 1.0 . 3.8 756 643 A 14 LYS HA A 17 THR HB 1.0 . 3.8 757 644 A 15 ASN HA A 18 GLU HBx 1.0 . 3.8 758 644 A 15 ASN HA A 18 GLU HBy 1.0 . 3.8 759 645 A 16 ILE HA A 19 ARG HBx 1.0 . 3.8 760 645 A 16 ILE HA A 19 ARG HBy 1.0 . 3.8 761 646 A 17 THR HA A 20 VAL HB 1.0 . 3.8 762 647 A 18 GLU HA A 21 SER HBx 1.0 . 3.8 763 647 A 18 GLU HA A 21 SER HBy 1.0 . 3.8 764 648 A 19 ARG HA A 22 MET HBx 1.0 . 3.8 765 648 A 19 ARG HA A 22 MET HBy 1.0 . 3.8 766 649 A 20 VAL HA A 23 ALA HB% 1.0 . 4.3 767 650 A 21 SER HA A 24 THR HB 1.0 . 3.8 768 651 A 22 MET HA A 25 ALA HB% 1.0 . 4.3 769 652 A 23 ALA HA A 26 SER HBx 1.0 . 3.8 770 652 A 23 ALA HA A 26 SER HBy 1.0 . 3.8 771 653 A 24 THR HA A 27 SER HBx 1.0 . 3.8 772 653 A 24 THR HA A 27 SER HBy 1.0 . 3.8 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 33 GLU H A 34 ILE H 1.0 . 2.8 2 2 A 34 ILE H A 35 ASN H 1.0 . 2.8 3 3 A 35 ASN H A 36 LEU H 1.0 . 2.8 4 4 A 36 LEU H A 37 ASN H 1.0 . 2.8 5 5 A 37 ASN H A 38 ASP H 1.0 . 2.8 6 6 A 38 ASP H A 39 THR H 1.0 . 2.8 7 7 A 39 THR H A 40 PHE H 1.0 . 2.8 8 8 A 40 PHE H A 41 ASP H 1.0 . 2.8 9 9 A 41 ASP H A 42 THR H 1.0 . 3.3 10 10 A 42 THR H A 43 PHE H 1.0 . 3.3 11 11 A 43 PHE H A 44 ALA H 1.0 . 3.3 12 12 A 44 ALA H A 45 LEU H 1.0 . 3.3 13 13 A 45 LEU H A 46 ASP H 1.0 . 3.3 14 14 A 46 ASP H A 47 PHE H 1.0 . 3.3 15 15 A 47 PHE H A 48 SER H 1.0 . 3.3 16 16 A 48 SER H A 49 ARG H 1.0 . 2.8 17 17 A 49 ARG H A 50 GLU H 1.0 . 2.8 18 18 A 50 GLU H A 51 LYS H 1.0 . 2.8 19 19 A 51 LYS H A 52 LYS H 1.0 . 2.8 20 20 A 52 LYS H A 53 LEU H 1.0 . 2.8 21 21 A 53 LEU H A 54 LEU H 1.0 . 2.8 22 22 A 54 LEU H A 55 GLU H 1.0 . 2.8 23 23 A 36 LEU H A 38 ASP H 1.0 . 5.0 24 24 A 37 ASN H A 39 THR H 1.0 . 5.0 25 25 A 38 ASP H A 40 PHE H 1.0 . 5.0 26 26 A 39 THR H A 41 ASP H 1.0 . 5.0 27 27 A 40 PHE H A 42 THR H 1.0 . 5.0 28 28 A 41 ASP H A 43 PHE H 1.0 . 5.0 29 29 A 42 THR H A 44 ALA H 1.0 . 5.0 30 30 A 43 PHE H A 45 LEU H 1.0 . 5.0 31 31 A 44 ALA H A 46 ASP H 1.0 . 5.0 32 32 A 45 LEU H A 47 PHE H 1.0 . 5.0 33 33 A 46 ASP H A 48 SER H 1.0 . 5.0 34 34 A 47 PHE H A 49 ARG H 1.0 . 5.0 35 35 A 48 SER H A 50 GLU H 1.0 . 5.0 36 36 A 50 GLU H A 52 LYS H 1.0 . 5.0 37 37 A 51 LYS H A 53 LEU H 1.0 . 5.0 38 38 A 52 LYS H A 54 LEU H 1.0 . 5.0 39 39 A 53 LEU H A 55 GLU H 1.0 . 5.0 40 40 A 36 LEU H A 39 THR H 1.0 . 5.0 41 41 A 37 ASN H A 40 PHE H 1.0 . 5.0 42 42 A 38 ASP H A 41 ASP H 1.0 . 5.0 43 43 A 39 THR H A 42 THR H 1.0 . 5.0 44 44 A 40 PHE H A 43 PHE H 1.0 . 5.0 45 45 A 41 ASP H A 44 ALA H 1.0 . 5.0 46 46 A 42 THR H A 45 LEU H 1.0 . 5.0 47 47 A 43 PHE H A 46 ASP H 1.0 . 5.0 48 48 A 44 ALA H A 47 PHE H 1.0 . 5.0 49 49 A 46 ASP H A 49 ARG H 1.0 . 5.0 50 50 A 47 PHE H A 50 GLU H 1.0 . 5.0 51 51 A 50 GLU H A 53 LEU H 1.0 . 5.0 52 52 A 51 LYS H A 54 LEU H 1.0 . 5.0 53 53 A 52 LYS H A 55 GLU H 1.0 . 5.0 54 54 A 37 ASN H A 41 ASP H 1.0 . 6.0 55 55 A 38 ASP H A 42 THR H 1.0 . 6.0 56 56 A 33 GLU H A 34 ILE H 1.0 . 5.0 57 57 A 34 ILE H A 35 ASN H 1.0 . 5.0 58 58 A 35 ASN H A 36 LEU H 1.0 . 5.0 59 59 A 36 LEU HA A 37 ASN H 1.0 . 5.0 60 60 A 37 ASN HA A 38 ASP H 1.0 . 5.0 61 61 A 38 ASP HA A 39 THR H 1.0 . 5.0 62 62 A 39 THR HA A 40 PHE H 1.0 . 5.0 63 63 A 40 PHE HA A 41 ASP H 1.0 . 5.0 64 64 A 41 ASP HA A 42 THR H 1.0 . 5.0 65 65 A 42 THR HA A 43 PHE H 1.0 . 5.0 66 66 A 43 PHE HA A 44 ALA H 1.0 . 5.0 67 67 A 44 ALA HA A 45 LEU H 1.0 . 5.0 68 68 A 45 LEU HA A 46 ASP H 1.0 . 5.0 69 69 A 46 ASP HA A 47 PHE H 1.0 . 5.0 70 70 A 47 PHE HA A 48 SER H 1.0 . 5.0 71 71 A 48 SER HA A 49 ARG H 1.0 . 5.0 72 72 A 49 ARG HA A 50 GLU H 1.0 . 5.0 73 73 A 50 GLU HA A 51 LYS H 1.0 . 5.0 74 74 A 51 LYS HA A 52 LYS H 1.0 . 5.0 75 75 A 52 LYS HA A 53 LEU H 1.0 . 5.0 76 76 A 53 LEU HA A 54 LEU H 1.0 . 5.0 77 77 A 54 LEU HA A 55 GLU H 1.0 . 5.0 78 78 A 36 LEU HA A 38 ASP H 1.0 . 5.0 79 79 A 37 ASN HA A 39 THR H 1.0 . 5.0 80 80 A 38 ASP HA A 40 PHE H 1.0 . 5.0 81 81 A 39 THR HA A 41 ASP H 1.0 . 5.0 82 82 A 40 PHE HA A 42 THR H 1.0 . 5.0 83 83 A 41 ASP HA A 43 PHE H 1.0 . 5.0 84 84 A 42 THR HA A 44 ALA H 1.0 . 5.0 85 85 A 43 PHE HA A 45 LEU H 1.0 . 5.0 86 86 A 44 ALA HA A 46 ASP H 1.0 . 5.0 87 87 A 45 LEU HA A 47 PHE H 1.0 . 5.0 88 88 A 46 ASP HA A 48 SER H 1.0 . 5.0 89 89 A 47 PHE HA A 49 ARG H 1.0 . 5.0 90 90 A 48 SER HA A 50 GLU H 1.0 . 5.0 91 91 A 49 ARG HA A 51 LYS H 1.0 . 5.0 92 92 A 50 GLU HA A 52 LYS H 1.0 . 5.0 93 93 A 51 LYS HA A 53 LEU H 1.0 . 5.0 94 94 A 52 LYS HA A 54 LEU H 1.0 . 5.0 95 95 A 53 LEU HA A 55 GLU H 1.0 . 5.0 96 96 A 36 LEU HA A 39 THR H 1.0 . 5.0 97 97 A 37 ASN HA A 40 PHE H 1.0 . 5.0 98 98 A 38 ASP HA A 41 ASP H 1.0 . 5.0 99 99 A 39 THR HA A 42 THR H 1.0 . 5.0 100 100 A 40 PHE HA A 43 PHE H 1.0 . 5.0 101 101 A 41 ASP HA A 44 ALA H 1.0 . 5.0 102 102 A 42 THR HA A 45 LEU H 1.0 . 5.0 103 103 A 43 PHE HA A 46 ASP H 1.0 . 5.0 104 104 A 44 ALA HA A 47 PHE H 1.0 . 5.0 105 105 A 46 ASP HA A 49 ARG H 1.0 . 5.0 106 106 A 49 ARG HA A 52 LYS H 1.0 . 5.0 107 107 A 50 GLU HA A 53 LEU H 1.0 . 5.0 108 108 A 51 LYS HA A 54 LEU H 1.0 . 5.0 109 109 A 52 LYS HA A 55 GLU H 1.0 . 5.0 110 110 A 35 ASN HA A 39 THR H 1.0 . 5.0 111 111 A 36 LEU HA A 40 PHE H 1.0 . 5.0 112 112 A 37 ASN HA A 41 ASP H 1.0 . 5.0 113 113 A 38 ASP HA A 42 THR H 1.0 . 5.0 114 114 A 39 THR HA A 43 PHE H 1.0 . 5.0 115 115 A 40 PHE HA A 44 ALA H 1.0 . 5.0 116 116 A 41 ASP HA A 45 LEU H 1.0 . 5.0 117 117 A 42 THR HA A 46 ASP H 1.0 . 5.0 118 118 A 43 PHE HA A 47 PHE H 1.0 . 5.0 119 119 A 44 ALA HA A 48 SER H 1.0 . 5.0 120 120 A 45 LEU HA A 49 ARG H 1.0 . 5.0 121 121 A 46 ASP HA A 50 GLU H 1.0 . 5.0 122 122 A 47 PHE HA A 51 LYS H 1.0 . 5.0 123 123 A 36 LEU HA A 39 THR HB 1.0 . 3.8 124 124 A 37 ASN HA A 40 PHE HBx 1.0 . 3.8 125 125 A 38 ASP HA A 41 ASP HBy 1.0 . 3.8 126 126 A 38 ASP HA A 41 ASP HBx 1.0 . 3.8 127 127 A 39 THR HA A 42 THR HB 1.0 . 3.8 128 128 A 40 PHE HA A 43 PHE HBx 1.0 . 3.8 129 128 A 40 PHE HA A 43 PHE HBy 1.0 . 3.8 130 129 A 41 ASP HA A 44 ALA HB% 1.0 . 4.3 131 130 A 42 THR HA A 45 LEU HBy 1.0 . 3.8 132 130 A 42 THR HA A 45 LEU HBx 1.0 . 3.8 133 131 A 43 PHE HA A 46 ASP HBx 1.0 . 3.8 134 131 A 43 PHE HA A 46 ASP HBy 1.0 . 3.8 135 132 A 44 ALA HA A 47 PHE HBx 1.0 . 3.8 136 133 A 44 ALA HA A 47 PHE HBx 1.0 . 3.8 137 134 A 45 LEU HA A 48 SER HBy 1.0 . 3.8 138 135 A 45 LEU HA A 48 SER HBx 1.0 . 3.8 139 136 A 48 SER HA A 51 LYS HBx 1.0 . 3.3 140 137 A 48 SER HA A 51 LYS HBy 1.0 . 3.3 141 138 A 51 LYS HA A 54 LEU HBy 1.0 . 3.8 142 139 A 51 LYS HA A 54 LEU HBx 1.0 . 3.8 143 140 A 52 LYS HA A 55 GLU HBx 1.0 . 3.8 144 141 A 52 LYS HA A 55 GLU HBy 1.0 . 3.8 stop_ save_ save_DYANA/DIANA_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_6 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 12 THR HG2% A 16 ILE HD1% 1.0 . 5.5 2 2 A 30 LEU HDx% A 40 PHE HDx 1.0 . 6.5 3 2 A 30 LEU HDx% A 40 PHE HDy 1.0 . 6.5 4 3 A 30 LEU HDy% A 40 PHE HDx 1.0 . 6.5 5 3 A 30 LEU HDy% A 40 PHE HDy 1.0 . 6.5 6 4 A 36 LEU HDy% A 40 PHE HDx 1.0 . 6.5 7 4 A 36 LEU HDy% A 40 PHE HDy 1.0 . 6.5 8 5 A 25 ALA HB% A 30 LEU HDx% 1.0 . 4.3 9 6 A 24 THR HG2% A 40 PHE HDx 1.0 . 4.8 10 6 A 24 THR HG2% A 40 PHE HDy 1.0 . 4.8 11 7 A 24 THR HG2% A 40 PHE HEx 1.0 . 5.5 12 7 A 24 THR HG2% A 40 PHE HEy 1.0 . 5.5 13 8 A 24 THR HG2% A 43 PHE HBx 1.0 . 5.5 14 8 A 24 THR HG2% A 43 PHE HBy 1.0 . 5.5 15 9 A 24 THR HG2% A 43 PHE HBx 1.0 . 5.5 16 9 A 24 THR HG2% A 43 PHE HBy 1.0 . 5.5 17 10 A 24 THR HG2% A 43 PHE HDx 1.0 . 5.5 18 10 A 24 THR HG2% A 43 PHE HDy 1.0 . 5.5 19 11 A 24 THR HG2% A 43 PHE HEx 1.0 . 5.5 20 11 A 24 THR HG2% A 43 PHE HEy 1.0 . 5.5 21 12 A 16 ILE HG2% A 47 PHE HBx 1.0 . 6.0 22 12 A 16 ILE HG2% A 47 PHE HBy 1.0 . 6.0 23 13 A 16 ILE HG2% A 47 PHE HBy 1.0 . 5.0 24 13 A 16 ILE HG2% A 47 PHE HBx 1.0 . 5.0 25 14 A 17 THR HG2% A 47 PHE HBy 1.0 . 5.0 26 15 A 17 THR HG2% A 47 PHE HBx 1.0 . 4.3 27 16 A 16 ILE HG2% A 47 PHE HDx 1.0 . 3.8 28 17 A 16 ILE HG2% A 47 PHE HDx 1.0 . 3.8 29 18 A 20 VAL HGy% A 44 ALA HB% 1.0 . 5.5 30 19 A 17 THR HG2% A 44 ALA HB% 1.0 . 4.8 31 20 A 40 PHE HDx A 43 PHE HDx 1.0 . 4.3 32 21 A 40 PHE HEx A 43 PHE HEx 1.0 . 4.3 33 22 A 43 PHE HDy A 47 PHE HDy 1.0 . 4.3 34 23 A 43 PHE HEy A 47 PHE HEy 1.0 . 4.3 35 24 A 12 THR HG2% A 54 LEU HDx% 1.0 . 3.8 36 25 A 12 THR HG2% A 54 LEU HDy% 1.0 . 4.8 37 26 A 12 THR HG2% A 16 ILE HD1% 1.0 . 3.3 38 27 A 13 ALA HB% A 54 LEU HDx% 1.0 . 5.0 39 28 A 13 ALA HB% A 51 LYS HBy 1.0 . 4.3 40 28 A 13 ALA HB% A 51 LYS HBx 1.0 . 4.3 41 29 A 13 ALA HB% A 51 LYS HGx 1.0 . 5.5 42 29 A 13 ALA HB% A 51 LYS HGy 1.0 . 5.5 43 30 A 13 ALA HB% A 55 GLU HBy 1.0 . 3.8 44 30 A 13 ALA HB% A 55 GLU HBx 1.0 . 3.8 45 31 A 16 ILE HD1% A 51 LYS HBy 1.0 . 3.8 46 31 A 16 ILE HD1% A 51 LYS HBx 1.0 . 3.8 47 32 A 16 ILE HG2% A 51 LYS HBy 1.0 . 4.3 48 32 A 16 ILE HG2% A 51 LYS HBx 1.0 . 4.3 49 33 A 36 LEU HG A 40 PHE HDx 1.0 . 7.5 50 33 A 36 LEU HG A 40 PHE HDy 1.0 . 7.5 51 34 A 25 ALA HB% A 30 LEU HDy% 1.0 . 4.8 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 9 PHE H A 5 ASP O 1.0 . 2.5 2 2 A 5 ASP O A 9 PHE N 1.0 . 3.5 3 3 A 10 LEU H A 6 HIS O 1.0 . 2.5 4 4 A 6 HIS O A 10 LEU N 1.0 . 3.5 5 5 A 11 GLN H A 7 ALA O 1.0 . 2.5 6 6 A 7 ALA O A 11 GLN N 1.0 . 3.5 7 7 A 12 THR H A 8 ARG O 1.0 . 2.5 8 8 A 8 ARG O A 12 THR N 1.0 . 3.5 9 9 A 13 ALA H A 9 PHE O 1.0 . 2.5 10 10 A 9 PHE O A 13 ALA N 1.0 . 3.3 11 11 A 14 LYS H A 10 LEU O 1.0 . 2.5 12 12 A 10 LEU O A 14 LYS N 1.0 . 3.5 13 13 A 15 ASN H A 11 GLN O 1.0 . 2.5 14 14 A 11 GLN O A 15 ASN N 1.0 . 3.5 15 15 A 16 ILE H A 12 THR O 1.0 . 2.5 16 16 A 12 THR O A 16 ILE N 1.0 . 3.5 17 17 A 17 THR H A 13 ALA O 1.0 . 2.5 18 18 A 13 ALA O A 17 THR N 1.0 . 3.5 19 19 A 18 GLU H A 14 LYS O 1.0 . 2.5 20 20 A 14 LYS O A 18 GLU N 1.0 . 3.5 21 21 A 19 ARG H A 15 ASN O 1.0 . 2.5 22 22 A 15 ASN O A 19 ARG N 1.0 . 3.5 23 23 A 20 VAL H A 16 ILE O 1.0 . 2.5 24 24 A 16 ILE O A 20 VAL N 1.0 . 3.5 25 25 A 21 SER H A 17 THR O 1.0 . 2.5 26 26 A 17 THR O A 21 SER N 1.0 . 3.5 27 27 A 22 MET H A 18 GLU O 1.0 . 2.5 28 28 A 18 GLU O A 22 MET N 1.0 . 3.3 29 29 A 23 ALA H A 19 ARG O 1.0 . 2.5 30 30 A 24 THR H A 20 VAL O 1.0 . 2.5 31 31 A 20 VAL O A 24 THR N 1.0 . 3.5 32 32 A 25 ALA H A 21 SER O 1.0 . 2.5 33 33 A 21 SER O A 25 ALA N 1.0 . 3.5 34 34 A 26 SER H A 22 MET O 1.0 . 2.5 35 35 A 22 MET O A 26 SER N 1.0 . 3.5 36 36 A 27 SER H A 23 ALA O 1.0 . 2.5 37 37 A 23 ALA O A 27 SER N 1.0 . 3.5 38 38 A 28 GLN H A 24 THR O 1.0 . 2.5 39 39 A 24 THR O A 28 GLN N 1.0 . 3.5 stop_ save_ save_DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 40 PHE H A 36 LEU O 1.0 . 2.5 2 2 A 36 LEU O A 40 PHE N 1.0 . 3.5 3 3 A 41 ASP H A 37 ASN O 1.0 . 2.5 4 4 A 37 ASN O A 41 ASP N 1.0 . 3.5 5 5 A 42 THR H A 38 ASP O 1.0 . 2.5 6 6 A 38 ASP O A 42 THR N 1.0 . 3.5 7 7 A 43 PHE H A 39 THR O 1.0 . 2.5 8 8 A 39 THR O A 43 PHE N 1.0 . 3.5 9 9 A 44 ALA H A 40 PHE O 1.0 . 2.5 10 10 A 40 PHE O A 44 ALA N 1.0 . 3.3 11 11 A 45 LEU H A 41 ASP O 1.0 . 2.5 12 12 A 41 ASP O A 45 LEU N 1.0 . 3.5 13 13 A 46 ASP H A 42 THR O 1.0 . 2.5 14 14 A 42 THR O A 46 ASP N 1.0 . 3.5 15 15 A 47 PHE H A 43 PHE O 1.0 . 2.5 16 16 A 43 PHE O A 47 PHE N 1.0 . 3.5 17 17 A 48 SER H A 44 ALA O 1.0 . 2.5 18 18 A 44 ALA O A 48 SER N 1.0 . 3.5 19 19 A 49 ARG H A 45 LEU O 1.0 . 2.5 20 20 A 45 LEU O A 49 ARG N 1.0 . 3.5 21 21 A 50 GLU H A 46 ASP O 1.0 . 2.5 22 22 A 46 ASP O A 50 GLU N 1.0 . 3.5 23 23 A 51 LYS H A 47 PHE O 1.0 . 2.5 24 24 A 47 PHE O A 51 LYS N 1.0 . 3.5 25 25 A 52 LYS H A 48 SER O 1.0 . 2.5 26 26 A 48 SER O A 52 LYS N 1.0 . 3.5 27 27 A 53 LEU H A 49 ARG O 1.0 . 2.5 28 28 A 49 ARG O A 53 LEU N 1.0 . 3.3 29 29 A 54 LEU H A 50 GLU O 1.0 . 2.5 30 30 A 50 GLU O A 54 LEU N 1.0 . 3.5 31 31 A 55 GLU H A 51 LYS O 1.0 . 2.5 32 32 A 51 LYS O A 55 GLU N 1.0 . 3.5 33 33 A 52 LYS O A 56 CYS H 1.0 . 2.5 34 34 A 52 LYS O A 56 CYS N 1.0 . 3.5 stop_ save_