data_nef_c16253_2khr 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_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 SER middle . . 3 A 3 HIS middle . . 4 A 4 MET middle . . 5 A 5 SER middle . . 6 A 6 THR middle . . 7 A 7 ASN middle . . 8 A 8 PRO middle . false 9 A 9 PHE middle . . 10 A 10 ASP middle . . 11 A 11 ASP middle . . 12 A 12 ASP middle . . 13 A 13 ASN middle . . 14 A 14 GLY middle . false 15 A 15 ALA middle . . 16 A 16 PHE middle . . 17 A 17 PHE middle . . 18 A 18 VAL middle . . 19 A 19 LEU middle . . 20 A 20 VAL middle . . 21 A 21 ASN middle . . 22 A 22 ASP middle . . 23 A 23 GLU middle . . 24 A 24 ASP middle . . 25 A 25 GLN middle . . 26 A 26 HIS middle . . 27 A 27 SER middle . . 28 A 28 LEU middle . . 29 A 29 TRP middle . . 30 A 30 PRO middle . false 31 A 31 VAL middle . . 32 A 32 PHE middle . . 33 A 33 ALA middle . . 34 A 34 ASP middle . . 35 A 35 ILE middle . . 36 A 36 PRO middle . false 37 A 37 ALA middle . . 38 A 38 GLY middle . false 39 A 39 TRP middle . . 40 A 40 ARG middle . . 41 A 41 VAL middle . . 42 A 42 VAL middle . . 43 A 43 HIS middle . . 44 A 44 GLY middle . false 45 A 45 GLU middle . . 46 A 46 ALA middle . . 47 A 47 SER middle . . 48 A 48 ARG middle . . 49 A 49 ALA middle . . 50 A 50 ALA middle . . 51 A 51 CYS middle . . 52 A 52 LEU middle . . 53 A 53 ASP middle . . 54 A 54 TYR middle . . 55 A 55 VAL middle . . 56 A 56 GLU middle . . 57 A 57 LYS middle . . 58 A 58 ASN middle . . 59 A 59 TRP middle . . 60 A 60 THR middle . . 61 A 61 ASP middle . . 62 A 62 LEU middle . . 63 A 63 ARG middle . . 64 A 64 PRO middle . false 65 A 65 LYS middle . . 66 A 66 SER middle . . 67 A 67 LEU middle . . 68 A 68 ARG middle . . 69 A 69 ASP middle . . 70 A 70 ALA middle . . 71 A 71 MET middle . . 72 A 72 VAL middle . . 73 A 73 GLU middle . . 74 A 74 ASP 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 3 HIS CA C 13 54.8 0.2 A 3 HIS CB C 13 31.6 0.2 A 4 MET H H 1 8.43 0.02 A 4 MET HE% H 1 1.99 0.02 A 4 MET C C 13 176.0 0.2 A 4 MET CA C 13 55.4 0.2 A 4 MET CB C 13 32.9 0.2 A 4 MET CE C 13 16.9 0.2 A 4 MET N N 15 120.5 0.2 A 5 SER H H 1 8.40 0.02 A 5 SER HA H 1 4.50 0.02 A 5 SER HBx H 1 3.88 0.02 A 5 SER HBy H 1 3.88 0.02 A 5 SER C C 13 174.7 0.2 A 5 SER CA C 13 58.4 0.2 A 5 SER CB C 13 63.8 0.2 A 5 SER N N 15 117.3 0.2 A 6 THR H H 1 8.21 0.02 A 6 THR HA H 1 4.33 0.02 A 6 THR HB H 1 4.23 0.02 A 6 THR HG2% H 1 1.18 0.02 A 6 THR C C 13 174.0 0.2 A 6 THR CA C 13 61.9 0.2 A 6 THR CB C 13 69.9 0.2 A 6 THR CG2 C 13 21.8 0.2 A 6 THR N N 15 115.4 0.2 A 7 ASN H H 1 8.44 0.02 A 7 ASN HA H 1 4.95 0.02 A 7 ASN HBy H 1 2.85 0.02 A 7 ASN HBx H 1 2.67 0.02 A 7 ASN HD2y H 1 7.63 0.02 A 7 ASN HD2x H 1 6.96 0.02 A 7 ASN CA C 13 50.9 0.2 A 7 ASN CB C 13 39.0 0.2 A 7 ASN N N 15 121.6 0.2 A 7 ASN ND2 N 15 113.0 0.2 A 8 PRO HA H 1 4.31 0.02 A 8 PRO HBy H 1 2.12 0.02 A 8 PRO HBx H 1 1.54 0.02 A 8 PRO HDx H 1 3.75 0.02 A 8 PRO HDy H 1 3.75 0.02 A 8 PRO HGy H 1 1.86 0.02 A 8 PRO HGx H 1 1.65 0.02 A 8 PRO C C 13 177.1 0.2 A 8 PRO CA C 13 64.0 0.2 A 8 PRO CB C 13 32.1 0.2 A 8 PRO CD C 13 50.7 0.2 A 8 PRO CG C 13 27.0 0.2 A 9 PHE H H 1 8.02 0.02 A 9 PHE HA H 1 4.48 0.02 A 9 PHE HBx H 1 2.96 0.02 A 9 PHE HBy H 1 3.16 0.02 A 9 PHE HDx H 1 7.22 0.02 A 9 PHE HDy H 1 7.22 0.02 A 9 PHE CA C 13 58.3 0.2 A 9 PHE CB C 13 38.8 0.2 A 9 PHE CDx C 13 131.8 0.2 A 9 PHE CDy C 13 131.8 0.2 A 9 PHE N N 15 117.2 0.2 A 12 ASP C C 13 176.7 0.2 A 12 ASP CA C 13 54.8 0.2 A 12 ASP CB C 13 41.0 0.2 A 13 ASN H H 1 8.49 0.02 A 13 ASN HD2y H 1 7.72 0.02 A 13 ASN HD2x H 1 6.95 0.02 A 13 ASN C C 13 175.7 0.2 A 13 ASN CA C 13 53.4 0.2 A 13 ASN CB C 13 39.2 0.2 A 13 ASN N N 15 118.5 0.2 A 13 ASN ND2 N 15 114.1 0.2 A 14 GLY H H 1 8.20 0.02 A 14 GLY HAy H 1 3.99 0.02 A 14 GLY HAx H 1 3.82 0.02 A 14 GLY C C 13 172.2 0.2 A 14 GLY CA C 13 45.2 0.2 A 14 GLY N N 15 108.5 0.2 A 15 ALA H H 1 7.67 0.02 A 15 ALA HA H 1 4.60 0.02 A 15 ALA HB% H 1 1.08 0.02 A 15 ALA C C 13 176.5 0.2 A 15 ALA CA C 13 51.4 0.2 A 15 ALA CB C 13 21.0 0.2 A 15 ALA N N 15 122.6 0. A 16 PHE H H 1 9.35 0.02 A 16 PHE HA H 1 4.96 0.02 A 16 PHE HBy H 1 3.11 0.02 A 16 PHE HBx H 1 2.91 0.02 A 16 PHE HDx H 1 6.98 0.02 A 16 PHE HDy H 1 6.98 0.02 A 16 PHE HEx H 1 7.50 0.02 A 16 PHE HEy H 1 7.50 0.02 A 16 PHE C C 13 174.3 0.2 A 16 PHE CA C 13 57.6 0.2 A 16 PHE CB C 13 45.7 0.2 A 16 PHE CDx C 13 131.5 0.2 A 16 PHE CDy C 13 131.5 0.2 A 16 PHE CEx C 13 132.0 0.2 A 16 PHE CEy C 13 132.0 0.2 A 16 PHE N N 15 120.0 0.2 A 17 PHE H H 1 9.55 0.02 A 17 PHE HA H 1 5.60 0.02 A 17 PHE HBy H 1 3.39 0.02 A 17 PHE HBx H 1 2.73 0.02 A 17 PHE HDx H 1 7.15 0.02 A 17 PHE HDy H 1 7.15 0.02 A 17 PHE C C 13 177.7 0.2 A 17 PHE CA C 13 55.9 0.2 A 17 PHE CB C 13 44.1 0.2 A 17 PHE CDx C 13 131.8 0.2 A 17 PHE CDy C 13 131.8 0.2 A 17 PHE N N 15 115.7 0.2 A 18 VAL H H 1 8.67 0.02 A 18 VAL HA H 1 4.22 0.02 A 18 VAL HB H 1 1.92 0.02 A 18 VAL HGx% H 1 1.13 0.02 A 18 VAL HGy% H 1 1.13 0.02 A 18 VAL C C 13 175.2 0.2 A 18 VAL CA C 13 62.7 0.2 A 18 VAL CB C 13 32.7 0.2 A 18 VAL CGx C 13 22.3 0.2 A 18 VAL CGy C 13 22.3 0.2 A 18 VAL N N 15 117.2 0.2 A 19 LEU H H 1 9.50 0.02 A 19 LEU HA H 1 5.73 0.02 A 19 LEU HBy H 1 1.87 0.02 A 19 LEU HBx H 1 1.63 0.02 A 19 LEU HDx% H 1 0.59 0.02 A 19 LEU HDy% H 1 0.07 0.02 A 19 LEU HG H 1 1.65 0.02 A 19 LEU C C 13 176.7 0.2 A 19 LEU CA C 13 52.1 0.2 A 19 LEU CB C 13 46.8 0.2 A 19 LEU CD1 C 13 24.6 0.2 A 19 LEU CD2 C 13 25.5 0.2 A 19 LEU CG C 13 27.5 0.2 A 19 LEU N N 15 127.1 0.2 A 20 VAL H H 1 9.17 0.02 A 20 VAL HA H 1 5.71 0.02 A 20 VAL HB H 1 1.95 0.02 A 20 VAL HGx% H 1 0.89 0.02 A 20 VAL HGy% H 1 0.89 0.02 A 20 VAL C C 13 174.8 0.2 A 20 VAL CA C 13 59.3 0.2 A 20 VAL CB C 13 36.7 0.2 A 20 VAL CGx C 13 21.4 0.2 A 20 VAL CGy C 13 21.4 0.2 A 20 VAL N N 15 115.9 0.2 A 21 ASN H H 1 7.32 0.02 A 21 ASN HA H 1 4.72 0.02 A 21 ASN HBy H 1 2.35 0.02 A 21 ASN HBx H 1 0.18 0.02 A 21 ASN C C 13 177.7 0.2 A 21 ASN CA C 13 49.7 0.2 A 21 ASN CB C 13 37.5 0.2 A 21 ASN N N 15 122.6 0.2 A 22 ASP H H 1 8.24 0.02 A 22 ASP HA H 1 4.40 0.02 A 22 ASP HBy H 1 2.69 0.02 A 22 ASP HBx H 1 2.54 0.02 A 22 ASP C C 13 176.6 0.2 A 22 ASP CA C 13 56.4 0.2 A 22 ASP CB C 13 40.1 0.2 A 22 ASP N N 15 117.5 0.2 A 23 GLU H H 1 7.22 0.02 A 23 GLU HA H 1 4.38 0.02 A 23 GLU HBy H 1 2.25 0.02 A 23 GLU HBx H 1 1.65 0.02 A 23 GLU HGx H 1 2.08 0.02 A 23 GLU HGy H 1 2.08 0.02 A 23 GLU C C 13 175.5 0.2 A 23 GLU CA C 13 55.6 0.2 A 23 GLU CB C 13 29.5 0.2 A 23 GLU CG C 13 36.5 0.2 A 23 GLU N N 15 118.1 0.2 A 24 ASP H H 1 8.03 0.02 A 24 ASP HA H 1 4.28 0.02 A 24 ASP HBy H 1 3.15 0.02 A 24 ASP HBx H 1 2.71 0.02 A 24 ASP CA C 13 56.2 0.2 A 24 ASP CB C 13 40.0 0.2 A 24 ASP N N 15 115.7 0.2 A 25 GLN H H 1 7.71 0.02 A 25 GLN HA H 1 4.27 0.02 A 25 GLN HBy H 1 1.96 0.02 A 25 GLN HBx H 1 1.80 0.02 A 25 GLN HGx H 1 2.32 0.02 A 25 GLN HGy H 1 2.32 0.02 A 25 GLN C C 13 175.3 0.2 A 25 GLN CA C 13 55.2 0.2 A 25 GLN CB C 13 29.4 0.2 A 25 GLN N N 15 116.8 0.2 A 26 HIS H H 1 8.87 0.02 A 26 HIS HA H 1 6.03 0.02 A 26 HIS HBy H 1 2.62 0.02 A 26 HIS HBx H 1 2.41 0.02 A 26 HIS CA C 13 54.4 0.2 A 26 HIS CB C 13 32.7 0.2 A 26 HIS N N 15 113.4 0.2 A 27 SER HBy H 1 3.50 0.02 A 27 SER HBx H 1 3.22 0.02 A 27 SER CB C 13 66.8 0.2 A 28 LEU HA H 1 5.43 0.02 A 28 LEU HBx H 1 1.64 0.02 A 28 LEU HBy H 1 1.64 0.02 A 28 LEU HDx% H 1 0.79 0.02 A 28 LEU HDy% H 1 0.60 0.02 A 28 LEU HG H 1 1.69 0.02 A 28 LEU CA C 13 56.1 0.2 A 28 LEU CB C 13 43.6 0.2 A 28 LEU CDx C 13 24.4 0.2 A 28 LEU CDy C 13 25.7 0.2 A 28 LEU CG C 13 30.5 0.2 A 29 TRP HA H 1 5.32 0.02 A 29 TRP HBy H 1 3.14 0.02 A 29 TRP HBx H 1 2.99 0.02 A 29 TRP HD1 H 1 7.08 0.02 A 29 TRP HE1 H 1 9.05 0.02 A 29 TRP HE3 H 1 7.59 0.02 A 29 TRP HZ3 H 1 7.45 0.02 A 29 TRP CA C 13 54.1 0.2 A 29 TRP CB C 13 36.0 0.2 A 29 TRP CD1 C 13 127.5 0.2 A 29 TRP NE1 N 15 129.5 0.2 A 30 PRO HDy H 1 3.06 0.02 A 30 PRO HDx H 1 1.97 0.02 A 30 PRO C C 13 177.5 0.2 A 30 PRO CA C 13 62.4 0.2 A 30 PRO CB C 13 31.7 0.2 A 30 PRO CD C 13 50.1 0.2 A 30 PRO CG C 13 26.6 0.2 A 31 VAL H H 1 7.00 0.02 A 31 VAL HA H 1 3.71 0.02 A 31 VAL HB H 1 1.57 0.02 A 31 VAL HGx% H 1 0.31 0.02 A 31 VAL HGy% H 1 0.11 0.02 A 31 VAL CA C 13 63.6 0.2 A 31 VAL CB C 13 31.2 0.2 A 31 VAL CGx C 13 19.8 0.2 A 31 VAL CGy C 13 20.1 0.2 A 31 VAL N N 15 114.1 0.2 A 33 ALA HB% H 1 1.10 0.02 A 33 ALA C C 13 177.5 0.2 A 33 ALA CA C 13 50.9 0.2 A 33 ALA CB C 13 20.2 0.2 A 34 ASP H H 1 8.83 0.02 A 34 ASP HA H 1 4.50 0.02 A 34 ASP HBx H 1 2.66 0.02 A 34 ASP HBy H 1 2.66 0.02 A 34 ASP C C 13 176.9 0.2 A 34 ASP CA C 13 55.2 0.2 A 34 ASP CB C 13 40.4 0.2 A 34 ASP N N 15 124.6 0.2 A 35 ILE H H 1 8.59 0.02 A 35 ILE HA H 1 3.61 0.02 A 35 ILE HB H 1 1.69 0.02 A 35 ILE HD1% H 1 0.61 0.02 A 35 ILE HG1y H 1 1.52 0.02 A 35 ILE HG1x H 1 1.12 0.02 A 35 ILE HG2% H 1 0.65 0.02 A 35 ILE C C 13 176.1 0.2 A 35 ILE CA C 13 58.6 0.2 A 35 ILE CB C 13 37.6 0.2 A 35 ILE CD1 C 13 12.1 0.2 A 35 ILE CG1 C 13 27.9 0.2 A 35 ILE CG2 C 13 17.1 0.2 A 35 ILE N N 15 125.2 0.2 A 36 PRO HA H 1 4.29 0.02 A 36 PRO HBy H 1 1.98 0.02 A 36 PRO HBx H 1 1.61 0.02 A 36 PRO HDy H 1 2.55 0.02 A 36 PRO HDx H 1 2.10 0.02 A 36 PRO HGy H 1 0.80 0.02 A 36 PRO HGx H 1 0.74 0.02 A 36 PRO C C 13 179.4 0.2 A 36 PRO CA C 13 62.6 0.2 A 36 PRO CB C 13 31.6 0.2 A 36 PRO CD C 13 50.1 0.2 A 36 PRO CG C 13 26.4 0.2 A 37 ALA H H 1 8.30 0.02 A 37 ALA HA H 1 4.19 0.02 A 37 ALA HB% H 1 1.42 0.02 A 37 ALA CA C 13 53.6 0.2 A 37 ALA CB C 13 18.4 0.2 A 37 ALA N N 15 123.6 0.2 A 38 GLY H H 1 8.74 0.02 A 38 GLY HAy H 1 4.21 0.02 A 38 GLY HAx H 1 3.60 0.02 A 38 GLY C C 13 174.0 0.2 A 38 GLY CA C 13 45.0 0.2 A 38 GLY N N 15 110.2 0.2 A 39 TRP H H 1 7.70 0.02 A 39 TRP HA H 1 4.90 0.02 A 39 TRP HBy H 1 2.85 0.02 A 39 TRP HBx H 1 2.76 0.02 A 39 TRP HD1 H 1 6.97 0.02 A 39 TRP HE1 H 1 10.16 0.02 A 39 TRP C C 13 175.0 0.2 A 39 TRP CA C 13 56.0 0.2 A 39 TRP CB C 13 31.8 0.2 A 39 TRP CD1 C 13 128.2 0.2 A 39 TRP N N 15 120.8 0.2 A 39 TRP NE1 N 15 129.6 0.2 A 40 ARG H H 1 9.05 0.02 A 40 ARG HBx H 1 1.67 0.02 A 40 ARG HBy H 1 1.67 0.02 A 40 ARG HDx H 1 3.07 0.02 A 40 ARG HDy H 1 3.07 0.02 A 40 ARG HGy H 1 1.57 0.02 A 40 ARG HGx H 1 1.34 0.02 A 40 ARG C C 13 174.9 0.2 A 40 ARG CA C 13 54.0 0.2 A 40 ARG CB C 13 33.3 0.2 A 40 ARG CD C 13 43.4 0.2 A 40 ARG CG C 13 26.9 0.2 A 40 ARG N N 15 118.2 0.2 A 41 VAL H H 1 8.66 0.02 A 41 VAL HA H 1 4.04 0.02 A 41 VAL HB H 1 1.69 0.02 A 41 VAL HGx% H 1 0.61 0.02 A 41 VAL HGy% H 1 0.21 0.02 A 41 VAL C C 13 178.0 0.2 A 41 VAL CA C 13 63.8 0.2 A 41 VAL CB C 13 32.4 0.2 A 41 VAL CGy C 13 22.0 0.2 A 41 VAL CGx C 13 21.2 0.2 A 41 VAL N N 15 122.7 0.2 A 42 VAL H H 1 9.09 0.02 A 42 VAL HA H 1 4.74 0.02 A 42 VAL HB H 1 2.47 0.02 A 42 VAL HGx% H 1 0.95 0.02 A 42 VAL HGy% H 1 0.95 0.02 A 42 VAL C C 13 174.8 0.2 A 42 VAL CA C 13 61.0 0.2 A 42 VAL CB C 13 34.1 0.2 A 42 VAL CGx C 13 20.3 0.2 A 42 VAL CGy C 13 20.3 0.2 A 42 VAL N N 15 119.8 0.2 A 43 HIS H H 1 7.70 0.02 A 43 HIS HA H 1 4.53 0.02 A 43 HIS HBy H 1 2.13 0.02 A 43 HIS HBx H 1 1.95 0.02 A 43 HIS C C 13 173.4 0.2 A 43 HIS CA C 13 57.5 0.2 A 43 HIS CB C 13 32.8 0.2 A 43 HIS N N 15 119.7 0. A 44 GLY H H 1 7.59 0.02 A 44 GLY HAy H 1 4.89 0.02 A 44 GLY HAx H 1 3.06 0.02 A 44 GLY C C 13 174.6 0.2 A 44 GLY CA C 13 42.4 0.2 A 44 GLY N N 15 112.0 0.2 A 45 GLU H H 1 8.70 0.02 A 45 GLU HA H 1 4.12 0.02 A 45 GLU HBx H 1 1.59 0.02 A 45 GLU HBy H 1 1.59 0.02 A 45 GLU HGy H 1 2.11 0.02 A 45 GLU HGx H 1 1.98 0.02 A 45 GLU C C 13 175.2 0.2 A 45 GLU CA C 13 56.9 0.2 A 45 GLU CB C 13 30.9 0.2 A 45 GLU CG C 13 35.3 0.2 A 45 GLU N N 15 121.7 0.2 A 46 ALA H H 1 9.40 0.02 A 46 ALA HB% H 1 1.58 0.02 A 46 ALA C C 13 175.1 0.2 A 46 ALA CA C 13 51.1 0.2 A 46 ALA CB C 13 22.3 0.2 A 46 ALA N N 15 127.0 0.2 A 47 SER H H 1 8.71 0.02 A 47 SER HA H 1 4.73 0.02 A 47 SER HBy H 1 4.53 0.02 A 47 SER HBx H 1 4.18 0.02 A 47 SER C C 13 175.0 0.2 A 47 SER CA C 13 57.9 0.2 A 47 SER CB C 13 64.9 0.2 A 47 SER N N 15 115.3 0.2 A 48 ARG H H 1 9.52 0.02 A 48 ARG HA H 1 3.39 0.02 A 48 ARG HBy H 1 1.80 0.02 A 48 ARG HBx H 1 1.69 0.02 A 48 ARG HDy H 1 2.91 0.02 A 48 ARG HDx H 1 2.75 0.02 A 48 ARG HGy H 1 1.19 0.02 A 48 ARG HGx H 1 0.63 0.02 A 48 ARG C C 13 178.3 0.2 A 48 ARG CA C 13 61.0 0.2 A 48 ARG CB C 13 30.1 0.2 A 48 ARG CD C 13 43.0 0.2 A 48 ARG CG C 13 27.7 0.2 A 48 ARG N N 15 123.4 0.2 A 49 ALA H H 1 8.62 0.02 A 49 ALA HA H 1 3.97 0.02 A 49 ALA HB% H 1 1.43 0.02 A 49 ALA C C 13 180.5 0.2 A 49 ALA CA C 13 55.4 0.2 A 49 ALA CB C 13 18.2 0.2 A 49 ALA N N 15 118.8 0.2 A 50 ALA H H 1 8.13 0.02 A 50 ALA HA H 1 4.26 0.02 A 50 ALA HB% H 1 1.72 0.02 A 50 ALA C C 13 182.5 0.2 A 50 ALA CA C 13 54.9 0.2 A 50 ALA CB C 13 19.1 0.2 A 50 ALA N N 15 122.1 0.2 A 51 CYS H H 1 8.53 0.02 A 51 CYS HA H 1 4.07 0.02 A 51 CYS HBy H 1 3.16 0.02 A 51 CYS HBx H 1 2.46 0.02 A 51 CYS C C 13 176.8 0.2 A 51 CYS CA C 13 65.0 0.2 A 51 CYS CB C 13 27.1 0.2 A 51 CYS N N 15 119.0 0.2 A 52 LEU H H 1 8.66 0.02 A 52 LEU HA H 1 3.99 0.02 A 52 LEU HBy H 1 1.85 0.02 A 52 LEU HBx H 1 1.48 0.02 A 52 LEU HDx% H 1 0.79 0.02 A 52 LEU HDy% H 1 0.79 0.02 A 52 LEU HG H 1 0.78 0.02 A 52 LEU C C 13 179.8 0.2 A 52 LEU CA C 13 58.2 0.2 A 52 LEU CB C 13 41.0 0.2 A 52 LEU CDx C 13 23.0 0.2 A 52 LEU CDy C 13 23.0 0.2 A 52 LEU CG C 13 25.5 0.2 A 52 LEU N N 15 121.1 0.2 A 53 ASP H H 1 8.02 0.02 A 53 ASP HA H 1 4.37 0.02 A 53 ASP HBx H 1 2.75 0.02 A 53 ASP HBy H 1 2.75 0.02 A 53 ASP C C 13 177.5 0.2 A 53 ASP CA C 13 57.5 0.2 A 53 ASP CB C 13 41.5 0.2 A 53 ASP N N 15 120.3 0.2 A 54 TYR H H 1 7.76 0.02 A 54 TYR HA H 1 3.77 0.02 A 54 TYR HBy H 1 3.18 0.02 A 54 TYR HBx H 1 2.43 0.02 A 54 TYR HDx H 1 6.64 0.02 A 54 TYR HDy H 1 6.64 0.02 A 54 TYR HEx H 1 6.66 0.02 A 54 TYR HEy H 1 6.66 0.02 A 54 TYR C C 13 179.0 0.2 A 54 TYR CA C 13 62.3 0.2 A 54 TYR CB C 13 37.7 0.2 A 54 TYR CDx C 13 132.9 0.2 A 54 TYR CDy C 13 132.9 0.2 A 54 TYR CEx C 13 118.1 0.2 A 54 TYR CEy C 13 118.2 0.2 A 54 TYR N N 15 119.7 0.2 A 55 VAL H H 1 8.25 0.02 A 55 VAL HA H 1 3.58 0.02 A 55 VAL HB H 1 2.22 0.02 A 55 VAL HGx% H 1 1.12 0.02 A 55 VAL HGy% H 1 0.83 0.02 A 55 VAL C C 13 177.7 0.2 A 55 VAL CA C 13 66.8 0.2 A 55 VAL CB C 13 31.9 0.2 A 55 VAL CGy C 13 23.9 0.2 A 55 VAL CGx C 13 21.7 0.2 A 55 VAL N N 15 120.2 0.2 A 56 GLU H H 1 8.17 0.02 A 56 GLU HA H 1 4.01 0.02 A 56 GLU HBx H 1 2.12 0.02 A 56 GLU HBy H 1 2.12 0.02 A 56 GLU HGy H 1 2.35 0.02 A 56 GLU HGx H 1 2.22 0.02 A 56 GLU C C 13 178.7 0.2 A 56 GLU CA C 13 59.2 0.2 A 56 GLU CB C 13 29.6 0.2 A 56 GLU CG C 13 36.5 0.2 A 56 GLU N N 15 119.6 0.2 A 57 LYS H H 1 7.80 0.02 A 57 LYS HA H 1 4.04 0.02 A 57 LYS HBx H 1 1.63 0.02 A 57 LYS HBy H 1 1.63 0.02 A 57 LYS HDx H 1 1.53 0.02 A 57 LYS HDy H 1 1.53 0.02 A 57 LYS HEx H 1 2.91 0.02 A 57 LYS HEy H 1 2.91 0.02 A 57 LYS HGy H 1 1.43 0.02 A 57 LYS HGx H 1 1.34 0.02 A 57 LYS C C 13 177.9 0.2 A 57 LYS CA C 13 57.9 0.2 A 57 LYS CB C 13 33.3 0.2 A 57 LYS CD C 13 28.8 0.2 A 57 LYS CE C 13 42.3 0.2 A 57 LYS CG C 13 25.8 0.2 A 57 LYS N N 15 115.7 0.2 A 58 ASN H H 1 7.57 0.02 A 58 ASN HA H 1 4.49 0.02 A 58 ASN HBx H 1 1.85 0.02 A 58 ASN HBy H 1 1.85 0.02 A 58 ASN HD2y H 1 6.51 0.02 A 58 ASN HD2x H 1 6.35 0.02 A 58 ASN C C 13 174.3 0.2 A 58 ASN CA C 13 54.7 0.2 A 58 ASN CB C 13 40.1 0.2 A 58 ASN N N 15 115.0 0.2 A 58 ASN ND2 N 15 116.0 0.2 A 59 TRP H H 1 8.12 0.02 A 59 TRP HBy H 1 3.31 0.02 A 59 TRP HBx H 1 2.89 0.02 A 59 TRP HD1 H 1 7.31 0.02 A 59 TRP HE1 H 1 10.24 0.02 A 59 TRP CA C 13 57.8 0.2 A 59 TRP CB C 13 29.8 0.2 A 59 TRP N N 15 121.4 0.2 A 59 TRP NE1 N 15 130.1 0.2 A 64 PRO HA H 1 4.41 0.02 A 64 PRO HBy H 1 2.27 0.02 A 64 PRO HBx H 1 1.93 0.02 A 64 PRO HDy H 1 3.77 0.02 A 64 PRO HDx H 1 3.60 0.02 A 64 PRO C C 13 176.2 0.2 A 64 PRO CA C 13 63.3 0.2 A 64 PRO CB C 13 32.1 0.2 A 64 PRO CD C 13 50.7 0.2 A 64 PRO CG C 13 27.2 0.2 A 65 LYS H H 1 8.03 0.02 A 65 LYS HA H 1 4.13 0.02 A 65 LYS HBy H 1 1.86 0.02 A 65 LYS HBx H 1 1.68 0.02 A 65 LYS CA C 13 57.7 0.2 A 65 LYS CB C 13 33.6 0.2 A 65 LYS N N 15 127.1 0.2 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 6 THR HA A 6 THR HG2% 1.0 1.8 3.61 2 2 A 7 ASN HA A 8 PRO HDx 1.0 1.8 3.95 3 3 A 7 ASN HA A 8 PRO HDy 1.0 1.8 3.95 4 4 A 9 PHE HA A 9 PHE HDx 1.0 1.8 5.07 5 5 A 9 PHE HA A 9 PHE HDy 1.0 1.8 5.72 6 6 A 15 ALA HB% A 31 VAL HGy% 1.0 1.8 3.60 7 7 A 15 ALA HB% A 31 VAL HGx% 1.0 1.8 3.60 8 8 A 15 ALA HB% A 45 GLU HBy 1.0 1.8 3.47 9 9 A 15 ALA HB% A 45 GLU HGx 1.0 1.8 4.16 10 10 A 15 ALA HB% A 14 GLY HAx 1.0 1.8 5.03 11 11 A 15 ALA HB% A 14 GLY HAy 1.0 1.8 5.03 12 12 A 15 ALA HB% A 16 PHE HA 1.0 1.8 4.97 13 13 A 15 ALA HB% A 31 VAL H 1.0 1.8 4.61 14 14 A 15 ALA HB% A 16 PHE H 1.0 1.8 4.05 15 15 A 16 PHE HBy A 28 LEU HDx% 1.0 1.8 5.43 16 16 A 16 PHE HBy A 28 LEU HG 1.0 1.8 5.79 17 17 A 16 PHE HBy A 48 ARG HBy 1.0 1.8 6.05 18 18 A 16 PHE HBy A 48 ARG HA 1.0 1.8 5.17 19 19 A 16 PHE HBy A 16 PHE HDx 1.0 1.8 4.09 20 20 A 16 PHE HBx A 16 PHE HDy 1.0 1.8 4.06 21 21 A 48 ARG HA A 16 PHE HBx 1.0 1.8 6.05 22 22 A 48 ARG HBy A 16 PHE HBx 1.0 1.8 5.75 23 23 A 17 PHE HBx A 19 LEU HDx% 1.0 1.8 4.27 24 24 A 17 PHE HBx A 19 LEU HBy 1.0 1.8 5.61 25 25 A 17 PHE HBx A 17 PHE HDx 1.0 1.8 4.10 26 26 A 17 PHE HBy A 18 VAL H 1.0 1.8 5.74 27 27 A 19 LEU HBy A 17 PHE HBy 1.0 1.8 6.05 28 28 A 17 PHE HBy A 35 ILE HD1% 1.0 1.8 4.53 29 29 A 17 PHE HBy A 41 VAL HGy% 1.0 1.8 5.20 30 30 A 16 PHE HBy A 17 PHE HA 1.0 1.8 5.26 31 31 A 28 LEU HDx% A 17 PHE HA 1.0 1.8 4.93 32 32 A 17 PHE HA A 44 GLY HAy 1.0 1.8 4.16 33 33 A 17 PHE HA A 17 PHE HDy 1.0 1.8 3.90 34 34 A 17 PHE HA A 16 PHE HEx 1.0 1.8 6.05 35 35 A 18 VAL HA A 18 VAL HGx% 1.0 1.8 4.66 36 36 A 18 VAL HA A 18 VAL HGy% 1.0 1.8 4.66 37 37 A 19 LEU H A 18 VAL HGx% 1.0 1.8 5.83 38 38 A 19 LEU H A 18 VAL HGy% 1.0 1.8 5.83 39 39 A 19 LEU HA A 41 VAL HA 1.0 1.8 3.74 40 40 A 19 LEU HA A 19 LEU HG 1.0 1.8 4.16 41 41 A 19 LEU HDx% A 19 LEU HA 1.0 1.8 3.41 42 42 A 19 LEU HA A 19 LEU HDy% 1.0 1.8 4.72 43 43 A 19 LEU HBx A 29 TRP HD1 1.0 1.8 5.58 44 44 A 19 LEU HBy A 29 TRP HD1 1.0 1.8 4.64 45 45 A 17 PHE HBy A 41 VAL HGx% 1.0 1.8 5.31 46 46 A 17 PHE HBx A 41 VAL HGx% 1.0 1.8 3.96 47 47 A 41 VAL HA A 41 VAL HGx% 1.0 1.8 3.58 48 48 A 41 VAL HGx% A 42 VAL HA 1.0 1.8 4.51 49 49 A 17 PHE HA A 41 VAL HGx% 1.0 1.8 4.98 50 50 A 17 PHE HDx A 41 VAL HGx% 1.0 1.8 3.76 51 51 A 41 VAL HGx% A 44 GLY H 1.0 1.8 4.75 52 52 A 19 LEU HDy% A 35 ILE HG2% 1.0 1.8 3.42 53 53 A 19 LEU HBy A 19 LEU HDy% 1.0 1.8 4.00 54 54 A 19 LEU HDy% A 19 LEU HBx 1.0 1.8 4.14 55 55 A 19 LEU HDy% A 39 TRP HBy 1.0 1.8 4.47 56 56 A 19 LEU HDy% A 29 TRP HBy 1.0 1.8 4.06 57 57 A 19 LEU HDy% A 29 TRP HBx 1.0 1.8 4.32 58 58 A 19 LEU HDx% A 41 VAL H 1.0 1.8 5.58 59 59 A 19 LEU HDx% A 41 VAL HA 1.0 1.8 3.41 60 60 A 19 LEU HDx% A 19 LEU HBy 1.0 1.8 3.50 61 61 A 19 LEU HDx% A 19 LEU HBx 1.0 1.8 4.20 62 62 A 19 LEU HG A 29 TRP HBy 1.0 1.8 5.26 63 63 A 19 LEU HG A 29 TRP HD1 1.0 1.8 5.94 64 64 A 20 VAL HA A 20 VAL HGx% 1.0 1.8 4.42 65 65 A 20 VAL HA A 26 HIS HA 1.0 1.8 4.60 66 66 A 20 VAL HB A 21 ASN H 1.0 1.8 6.01 67 67 A 20 VAL HA A 20 VAL HGy% 1.0 1.8 4.42 68 68 A 23 GLU H A 23 GLU HGx 1.0 1.8 5.16 69 69 A 23 GLU H A 23 GLU HGy 1.0 1.8 5.16 70 70 A 16 PHE HA A 31 VAL HGy% 1.0 1.8 5.53 71 71 A 16 PHE HA A 31 VAL HGx% 1.0 1.8 5.53 72 72 A 31 VAL H A 31 VAL HGx% 1.0 1.8 4.37 73 73 A 31 VAL HA A 31 VAL HGx% 1.0 1.8 3.89 74 74 A 31 VAL HA A 31 VAL HGy% 1.0 1.8 3.89 75 75 A 36 PRO HA A 37 ALA HB% 1.0 1.8 4.71 76 76 A 36 PRO HA A 37 ALA H 1.0 1.8 3.77 77 77 A 35 ILE HA A 36 PRO HGy 1.0 1.8 5.25 78 78 A 19 LEU HDy% A 36 PRO HGy 1.0 1.8 4.80 79 79 A 19 LEU HDy% A 36 PRO HGx 1.0 1.8 4.80 80 80 A 35 ILE HA A 36 PRO HGx 1.0 1.8 5.25 81 81 A 19 LEU HDy% A 36 PRO HDy 1.0 1.8 4.26 82 82 A 36 PRO HDy A 35 ILE HB 1.0 1.8 4.61 83 83 A 35 ILE HA A 36 PRO HDy 1.0 1.8 3.37 84 84 A 36 PRO HDy A 29 TRP HE1 1.0 1.8 6.05 85 85 A 35 ILE HA A 36 PRO HDx 1.0 1.8 3.44 86 86 A 19 LEU HDy% A 36 PRO HDx 1.0 1.8 4.54 87 87 A 35 ILE HG2% A 35 ILE HA 1.0 1.8 3.51 88 88 A 19 LEU HDy% A 35 ILE HA 1.0 1.8 4.77 89 89 A 35 ILE HA A 35 ILE HG1x 1.0 1.8 4.53 90 90 A 35 ILE HA A 35 ILE HG1y 1.0 1.8 4.53 91 91 A 29 TRP HD1 A 35 ILE HA 1.0 1.8 5.31 92 92 A 35 ILE HA A 29 TRP HE1 1.0 1.8 5.37 93 93 A 19 LEU HDy% A 35 ILE HB 1.0 1.8 5.90 94 94 A 35 ILE HB A 34 ASP HA 1.0 1.8 5.20 95 95 A 35 ILE HB A 35 ILE H 1.0 1.8 4.51 96 96 A 29 TRP HD1 A 35 ILE HG2% 1.0 1.8 4.91 97 97 A 35 ILE HG2% A 36 PRO HDy 1.0 1.8 3.99 98 98 A 35 ILE HG2% A 36 PRO HDx 1.0 1.8 3.83 99 99 A 35 ILE HD1% A 35 ILE HA 1.0 1.8 4.31 100 100 A 35 ILE HD1% A 29 TRP HD1 1.0 1.8 4.08 101 101 A 35 ILE HD1% A 35 ILE H 1.0 1.8 4.68 102 102 A 35 ILE HD1% A 29 TRP HE1 1.0 1.8 6.05 103 103 A 35 ILE HD1% A 36 PRO HDy 1.0 1.8 4.89 104 104 A 35 ILE HD1% A 36 PRO HDx 1.0 1.8 6.05 105 105 A 35 ILE HD1% A 35 ILE HB 1.0 1.8 3.52 106 106 A 35 ILE HD1% A 41 VAL HGy% 1.0 1.8 3.60 107 107 A 35 ILE HG2% A 35 ILE HG1y 1.0 1.8 3.63 108 108 A 41 VAL HGy% A 35 ILE HG1y 1.0 1.8 6.05 109 109 A 34 ASP HA A 35 ILE HG1y 1.0 1.8 5.63 110 110 A 35 ILE H A 35 ILE HG1y 1.0 1.8 5.02 111 111 A 35 ILE H A 35 ILE HG1x 1.0 1.8 5.02 112 112 A 34 ASP HA A 35 ILE HG1x 1.0 1.8 5.63 113 113 A 35 ILE HG2% A 35 ILE HG1x 1.0 1.8 3.63 114 114 A 41 VAL HGy% A 35 ILE HG1x 1.0 1.8 6.05 115 115 A 37 ALA HA A 39 TRP H 1.0 1.8 6.05 116 116 A 37 ALA HB% A 38 GLY HAy 1.0 1.8 5.09 117 117 A 37 ALA HB% A 38 GLY HAx 1.0 1.8 5.09 118 118 A 19 LEU HG A 39 TRP HBy 1.0 1.8 4.27 119 119 A 35 ILE HG2% A 39 TRP HBy 1.0 1.8 4.42 120 120 A 19 LEU HDy% A 39 TRP HBx 1.0 1.8 4.47 121 121 A 35 ILE HG2% A 39 TRP HBx 1.0 1.8 4.42 122 122 A 19 LEU HG A 39 TRP HBx 1.0 1.8 4.27 123 123 A 41 VAL H A 40 ARG HBx 1.0 1.8 5.72 124 124 A 41 VAL H A 40 ARG HBy 1.0 1.8 5.72 125 125 A 40 ARG H A 40 ARG HDx 1.0 1.8 6.05 126 126 A 40 ARG H A 40 ARG HDy 1.0 1.8 6.05 127 127 A 40 ARG H A 40 ARG HGy 1.0 1.8 5.76 128 128 A 40 ARG H A 40 ARG HGx 1.0 1.8 5.76 129 129 A 19 LEU HDx% A 41 VAL HGy% 1.0 1.8 2.82 130 130 A 17 PHE HBx A 41 VAL HGy% 1.0 1.8 4.13 131 131 A 41 VAL HGy% A 41 VAL HA 1.0 1.8 3.37 132 132 A 41 VAL HGy% A 19 LEU HA 1.0 1.8 4.84 133 133 A 17 PHE HDx A 41 VAL HGy% 1.0 1.8 4.29 134 134 A 41 VAL HGy% A 40 ARG H 1.0 1.8 5.35 135 135 A 43 HIS H A 42 VAL HGx% 1.0 1.8 5.62 136 136 A 43 HIS H A 42 VAL HGy% 1.0 1.8 5.62 137 137 A 17 PHE HA A 44 GLY HAx 1.0 1.8 5.21 138 138 A 17 PHE HDy A 44 GLY HAx 1.0 1.8 5.14 139 139 A 44 GLY HAy A 45 GLU HA 1.0 1.8 5.43 140 140 A 15 ALA HB% A 45 GLU HA 1.0 1.8 4.99 141 141 A 17 PHE HA A 45 GLU HA 1.0 1.8 4.50 142 142 A 17 PHE HDy A 45 GLU HA 1.0 1.8 4.38 143 143 A 16 PHE HEx A 45 GLU HA 1.0 1.8 4.77 144 144 A 45 GLU HA A 46 ALA H 1.0 1.8 3.81 145 145 A 45 GLU HBy A 31 VAL HGy% 1.0 1.8 4.91 146 146 A 45 GLU HBy A 31 VAL HGx% 1.0 1.8 4.91 147 147 A 45 GLU HBy A 44 GLY HAy 1.0 1.8 5.46 148 148 A 45 GLU HBy A 17 PHE HDy 1.0 1.8 5.25 149 149 A 16 PHE HEx A 45 GLU HBx 1.0 1.8 4.76 150 150 A 46 ALA H A 45 GLU HBx 1.0 1.8 5.48 151 151 A 45 GLU HBy A 46 ALA H 1.0 1.8 6.00 152 152 A 45 GLU HGy A 31 VAL HGy% 1.0 1.8 5.15 153 153 A 45 GLU HGy A 31 VAL HGx% 1.0 1.8 5.15 154 154 A 15 ALA HB% A 45 GLU HGy 1.0 1.8 4.39 155 155 A 45 GLU HGx A 31 VAL HGx% 1.0 1.8 6.00 156 156 A 45 GLU HGx A 31 VAL HGy% 1.0 1.8 6.00 157 157 A 45 GLU HA A 46 ALA HB% 1.0 1.8 5.21 158 158 A 48 ARG HA A 48 ARG HGx 1.0 1.8 4.36 159 159 A 48 ARG HA A 48 ARG HGy 1.0 1.8 4.36 160 160 A 48 ARG HA A 48 ARG HDx 1.0 1.8 4.63 161 161 A 48 ARG HA A 48 ARG HDy 1.0 1.8 4.63 162 162 A 48 ARG HA A 51 CYS HBy 1.0 1.8 3.84 163 163 A 48 ARG HA A 16 PHE HDx 1.0 1.8 4.20 164 164 A 47 SER HA A 48 ARG HBx 1.0 1.8 5.42 165 165 A 16 PHE HDy A 48 ARG HBx 1.0 1.8 6.05 166 166 A 48 ARG HBx A 49 ALA H 1.0 1.8 5.52 167 167 A 48 ARG HBy A 49 ALA H 1.0 1.8 5.39 168 168 A 49 ALA HA A 52 LEU HBy 1.0 1.8 3.76 169 169 A 50 ALA H A 50 ALA HB% 1.0 1.8 3.83 170 170 A 28 LEU HDy% A 51 CYS HA 1.0 1.8 5.31 171 171 A 50 ALA HB% A 51 CYS HA 1.0 1.8 4.95 172 172 A 51 CYS HA A 54 TYR HBy 1.0 1.8 4.51 173 173 A 28 LEU HG A 51 CYS HBy 1.0 1.8 4.04 174 174 A 48 ARG HA A 51 CYS HBx 1.0 1.8 4.92 175 175 A 28 LEU HG A 51 CYS HBx 1.0 1.8 4.35 176 176 A 28 LEU HDx% A 51 CYS HBx 1.0 1.8 4.32 177 177 A 52 LEU HA A 55 VAL HGy% 1.0 1.8 3.95 178 178 A 52 LEU HA A 55 VAL HGx% 1.0 1.8 3.95 179 179 A 28 LEU HDx% A 52 LEU HA 1.0 1.8 5.27 180 180 A 52 LEU HA A 56 GLU HGx 1.0 1.8 4.42 181 181 A 52 LEU HA A 52 LEU HG 1.0 1.8 4.25 182 182 A 52 LEU HG A 52 LEU H 1.0 1.8 5.73 183 183 A 28 LEU HG A 52 LEU HG 1.0 1.8 4.46 184 184 A 52 LEU HBx A 53 ASP HA 1.0 1.8 5.26 185 185 A 53 ASP HA A 56 GLU HBx 1.0 1.8 3.83 186 186 A 54 TYR HA A 57 LYS HBx 1.0 1.8 3.86 187 187 A 54 TYR HA A 54 TYR HDx 1.0 1.8 3.85 188 188 A 51 CYS HA A 54 TYR HBx 1.0 1.8 4.51 189 189 A 55 VAL HA A 55 VAL HGy% 1.0 1.8 4.27 190 190 A 55 VAL HA A 54 TYR HDy 1.0 1.8 5.20 191 191 A 55 VAL HA A 55 VAL HGx% 1.0 1.8 4.27 192 192 A 56 GLU H A 55 VAL HGx% 1.0 1.8 5.52 193 193 A 56 GLU HA A 55 VAL HGy% 1.0 1.8 6.05 194 194 A 56 GLU HA A 55 VAL HGx% 1.0 1.8 6.05 195 195 A 56 GLU HBx A 56 GLU H 1.0 1.8 4.31 196 196 A 56 GLU HA A 56 GLU HGy 1.0 1.8 4.05 197 197 A 56 GLU HGy A 55 VAL HGy% 1.0 1.8 6.05 198 198 A 56 GLU HGx A 55 VAL HGy% 1.0 1.8 6.05 199 199 A 56 GLU HGx A 55 VAL HGx% 1.0 1.8 6.05 200 200 A 56 GLU HGy A 55 VAL HGx% 1.0 1.8 6.05 201 201 A 56 GLU HGx A 56 GLU HA 1.0 1.8 4.03 202 202 A 56 GLU HGx A 53 ASP HA 1.0 1.8 5.02 203 203 A 53 ASP HA A 56 GLU HGy 1.0 1.8 5.73 204 204 A 56 GLU H A 56 GLU HGy 1.0 1.8 4.95 205 205 A 57 LYS HA A 57 LYS HGy 1.0 1.8 4.18 206 206 A 56 GLU HBx A 57 LYS HGy 1.0 1.8 6.05 207 207 A 56 GLU HBy A 57 LYS HGy 1.0 1.8 6.05 208 208 A 56 GLU HBx A 57 LYS HGx 1.0 1.8 6.05 209 209 A 56 GLU HBy A 57 LYS HGx 1.0 1.8 6.05 210 210 A 57 LYS HA A 57 LYS HGx 1.0 1.8 4.18 211 211 A 57 LYS HA A 57 LYS HDx 1.0 1.8 5.94 212 212 A 57 LYS HA A 57 LYS HDy 1.0 1.8 5.94 213 213 A 26 HIS HBy A 20 VAL HGx% 1.0 1.8 6.05 214 214 A 20 VAL HGy% A 26 HIS HBy 1.0 1.8 6.05 215 215 A 20 VAL HGx% A 26 HIS HBx 1.0 1.8 6.05 216 216 A 20 VAL HGy% A 26 HIS HBx 1.0 1.8 6.05 217 217 A 26 HIS HA A 20 VAL HB 1.0 1.8 5.93 218 218 A 26 HIS HA A 20 VAL HGx% 1.0 1.8 5.18 219 219 A 26 HIS HA A 20 VAL HGy% 1.0 1.8 5.18 220 220 A 28 LEU HDy% A 51 CYS HBx 1.0 1.8 4.17 221 221 A 51 CYS HBy A 28 LEU HDy% 1.0 1.8 4.13 222 222 A 28 LEU HDy% A 52 LEU HA 1.0 1.8 4.57 223 223 A 28 LEU HDy% A 28 LEU HA 1.0 1.8 4.37 224 224 A 16 PHE HDx A 28 LEU HDy% 1.0 1.8 6.05 225 225 A 28 LEU HDx% A 16 PHE HBx 1.0 1.8 5.30 226 226 A 28 LEU HDx% A 51 CYS HBy 1.0 1.8 4.09 227 227 A 28 LEU HDx% A 48 ARG HA 1.0 1.8 4.73 228 228 A 28 LEU HDx% A 16 PHE HDx 1.0 1.8 4.86 229 229 A 28 LEU HDx% A 18 VAL H 1.0 1.8 5.63 230 230 A 28 LEU HDx% A 52 LEU H 1.0 1.8 5.91 231 231 A 28 LEU HA A 18 VAL HGx% 1.0 1.8 5.47 232 232 A 28 LEU HA A 18 VAL HGy% 1.0 1.8 5.47 233 233 A 28 LEU HDx% A 28 LEU HA 1.0 1.8 4.70 234 234 A 51 CYS HBy A 28 LEU HA 1.0 1.8 6.05 235 235 A 29 TRP HA A 30 PRO HDx 1.0 1.8 4.42 236 236 A 29 TRP HA A 30 PRO HDy 1.0 1.8 4.42 237 237 A 17 PHE HBy A 29 TRP HBx 1.0 1.8 4.86 238 238 A 19 LEU HBy A 29 TRP HBx 1.0 1.8 4.50 239 239 A 19 LEU HDx% A 29 TRP HBx 1.0 1.8 5.24 240 240 A 35 ILE HD1% A 29 TRP HBx 1.0 1.8 5.84 241 241 A 19 LEU HDx% A 29 TRP HBy 1.0 1.8 4.93 242 242 A 19 LEU HBy A 29 TRP HBy 1.0 1.8 4.25 243 243 A 19 LEU HBy A 27 SER HBx 1.0 1.8 6.05 244 244 A 19 LEU HBy A 27 SER HBy 1.0 1.8 6.05 245 245 A 37 ALA HA A 38 GLY H 1.0 1.8 3.66 246 246 A 37 ALA HB% A 38 GLY H 1.0 1.8 4.07 247 247 A 44 GLY H A 43 HIS HBy 1.0 1.8 4.96 248 248 A 44 GLY H A 43 HIS HBx 1.0 1.8 4.96 249 249 A 44 GLY H A 46 ALA HB% 1.0 1.8 4.96 250 250 A 46 ALA HB% A 47 SER H 1.0 1.8 2.98 251 251 A 50 ALA HB% A 47 SER H 1.0 1.8 3.87 252 252 A 50 ALA H A 47 SER H 1.0 1.8 5.44 253 253 A 47 SER H A 48 ARG H 1.0 1.8 4.88 254 254 A 41 VAL HA A 20 VAL H 1.0 1.8 4.51 255 255 A 19 LEU HG A 20 VAL H 1.0 1.8 3.60 256 256 A 19 LEU HDx% A 20 VAL H 1.0 1.8 3.88 257 257 A 19 LEU HDy% A 20 VAL H 1.0 1.8 5.24 258 258 A 16 PHE HBy A 17 PHE H 1.0 1.8 5.05 259 259 A 19 LEU HA A 40 ARG H 1.0 1.8 4.88 260 260 A 40 ARG H A 39 TRP HA 1.0 1.8 3.41 261 261 A 40 ARG H A 40 ARG HBx 1.0 1.8 4.57 262 262 A 40 ARG H A 40 ARG HBy 1.0 1.8 4.57 263 263 A 18 VAL H A 42 VAL H 1.0 1.8 5.47 264 264 A 41 VAL H A 42 VAL H 1.0 1.8 5.92 265 265 A 19 LEU HA A 42 VAL H 1.0 1.8 4.06 266 266 A 41 VAL HA A 42 VAL H 1.0 1.8 2.92 267 267 A 42 VAL H A 42 VAL HB 1.0 1.8 4.48 268 268 A 20 VAL HB A 42 VAL H 1.0 1.8 5.50 269 269 A 42 VAL H A 41 VAL HB 1.0 1.8 5.12 270 270 A 41 VAL HGx% A 42 VAL H 1.0 1.8 3.48 271 271 A 41 VAL HGy% A 42 VAL H 1.0 1.8 4.79 272 272 A 16 PHE H A 16 PHE HDx 1.0 1.8 5.16 273 273 A 16 PHE H A 16 PHE HDy 1.0 1.8 5.39 274 274 A 16 PHE H A 15 ALA HA 1.0 1.8 3.66 275 275 A 16 PHE H A 16 PHE HBx 1.0 1.8 4.47 276 276 A 45 GLU HBy A 16 PHE H 1.0 1.8 5.42 277 277 A 39 TRP H A 38 GLY H 1.0 1.8 4.85 278 278 A 39 TRP H A 39 TRP HD1 1.0 1.8 4.33 279 279 A 39 TRP H A 40 ARG H 1.0 1.8 5.24 280 280 A 37 ALA HB% A 39 TRP H 1.0 1.8 6.05 281 281 A 35 ILE HG2% A 39 TRP H 1.0 1.8 5.97 282 282 A 19 LEU HDy% A 39 TRP H 1.0 1.8 6.05 283 283 A 17 PHE HDx A 18 VAL H 1.0 1.8 4.84 284 284 A 18 VAL H A 17 PHE H 1.0 1.8 5.68 285 285 A 18 VAL H A 17 PHE HA 1.0 1.8 3.60 286 286 A 18 VAL H A 44 GLY HAy 1.0 1.8 5.01 287 287 A 17 PHE HBx A 18 VAL H 1.0 1.8 4.07 288 288 A 18 VAL H A 18 VAL HB 1.0 1.8 3.89 289 289 A 18 VAL H A 18 VAL HGx% 1.0 1.8 4.94 290 290 A 18 VAL H A 18 VAL HGy% 1.0 1.8 4.94 291 291 A 18 VAL H A 41 VAL HGx% 1.0 1.8 4.52 292 292 A 49 ALA H A 48 ARG H 1.0 1.8 3.69 293 293 A 49 ALA H A 48 ARG HDy 1.0 1.8 6.04 294 294 A 49 ALA H A 48 ARG HDx 1.0 1.8 6.04 295 295 A 49 ALA H A 49 ALA HB% 1.0 1.8 2.80 296 296 A 48 ARG HA A 51 CYS H 1.0 1.8 4.32 297 297 A 51 CYS HBy A 51 CYS H 1.0 1.8 3.27 298 298 A 51 CYS HBx A 51 CYS H 1.0 1.8 4.07 299 299 A 50 ALA HB% A 51 CYS H 1.0 1.8 3.26 300 300 A 49 ALA HB% A 51 CYS H 1.0 1.8 5.25 301 301 A 28 LEU HDy% A 51 CYS H 1.0 1.8 5.73 302 302 A 49 ALA HA A 51 CYS H 1.0 1.8 5.12 303 303 A 52 LEU H A 51 CYS H 1.0 1.8 3.31 304 304 A 48 ARG HA A 52 LEU H 1.0 1.8 5.20 305 305 A 51 CYS HBy A 52 LEU H 1.0 1.8 3.96 306 306 A 51 CYS HBx A 52 LEU H 1.0 1.8 4.27 307 307 A 52 LEU HBy A 52 LEU H 1.0 1.8 3.47 308 308 A 28 LEU HG A 52 LEU H 1.0 1.8 4.31 309 309 A 52 LEU H A 52 LEU HBx 1.0 1.8 4.06 310 310 A 52 LEU H A 53 ASP H 1.0 1.8 3.45 311 311 A 53 ASP H A 54 TYR H 1.0 1.8 3.65 312 312 A 53 ASP H A 50 ALA HA 1.0 1.8 4.09 313 313 A 51 CYS HBy A 53 ASP H 1.0 1.8 5.92 314 314 A 51 CYS HBx A 53 ASP H 1.0 1.8 6.05 315 315 A 52 LEU HBy A 53 ASP H 1.0 1.8 3.64 316 316 A 50 ALA HB% A 53 ASP H 1.0 1.8 5.43 317 317 A 52 LEU HBx A 53 ASP H 1.0 1.8 3.89 318 318 A 54 TYR HDx A 54 TYR H 1.0 1.8 5.89 319 319 A 54 TYR HDy A 54 TYR H 1.0 1.8 6.05 320 320 A 51 CYS HA A 54 TYR H 1.0 1.8 4.47 321 321 A 54 TYR H A 54 TYR HBy 1.0 1.8 3.77 322 322 A 54 TYR H A 54 TYR HBx 1.0 1.8 3.77 323 323 A 54 TYR H A 55 VAL H 1.0 1.8 4.07 324 324 A 54 TYR HDy A 55 VAL H 1.0 1.8 4.64 325 325 A 52 LEU HA A 55 VAL H 1.0 1.8 4.36 326 326 A 55 VAL H A 54 TYR HBy 1.0 1.8 4.41 327 327 A 55 VAL H A 54 TYR HBx 1.0 1.8 4.41 328 328 A 56 GLU HBx A 55 VAL H 1.0 1.8 5.27 329 329 A 56 GLU H A 55 VAL H 1.0 1.8 3.90 330 330 A 56 GLU HGx A 56 GLU H 1.0 1.8 4.32 331 331 A 56 GLU H A 55 VAL HGy% 1.0 1.8 5.52 332 332 A 56 GLU H A 57 LYS H 1.0 1.8 3.95 333 333 A 53 ASP HA A 57 LYS H 1.0 1.8 5.39 334 334 A 54 TYR HA A 57 LYS H 1.0 1.8 5.12 335 335 A 56 GLU HBx A 57 LYS H 1.0 1.8 3.86 336 336 A 57 LYS HBx A 57 LYS H 1.0 1.8 3.30 337 337 A 56 GLU HGx A 57 LYS H 1.0 1.8 5.36 338 338 A 58 ASN H A 59 TRP H 1.0 1.8 3.34 339 339 A 57 LYS H A 58 ASN H 1.0 1.8 3.39 340 340 A 54 TYR HA A 58 ASN H 1.0 1.8 5.35 341 341 A 56 GLU HBx A 58 ASN H 1.0 1.8 6.05 342 342 A 56 GLU HBy A 58 ASN H 1.0 1.8 6.05 343 343 A 57 LYS HBx A 58 ASN H 1.0 1.8 3.58 344 344 A 54 TYR HA A 58 ASN HD2y 1.0 1.8 5.40 345 345 A 58 ASN HD2y A 57 LYS HBy 1.0 1.8 6.05 346 346 A 57 LYS HBy A 58 ASN HD2x 1.0 1.8 6.05 347 347 A 54 TYR HA A 58 ASN HD2x 1.0 1.8 5.40 348 348 A 59 TRP H A 59 TRP HBy 1.0 1.8 4.58 349 349 A 59 TRP H A 59 TRP HBx 1.0 1.8 4.58 350 350 A 59 TRP H A 58 ASN HBx 1.0 1.8 6.05 351 351 A 59 TRP H A 58 ASN HBy 1.0 1.8 6.05 352 352 A 57 LYS HBx A 59 TRP H 1.0 1.8 6.05 353 353 A 59 TRP H A 57 LYS HBy 1.0 1.8 6.05 354 354 A 6 THR HG2% A 6 THR H 1.0 1.8 5.40 355 355 A 6 THR HG2% A 7 ASN H 1.0 1.8 5.58 356 356 A 9 PHE HDx A 9 PHE H 1.0 1.8 4.36 357 357 A 9 PHE HDy A 9 PHE H 1.0 1.8 4.62 358 358 A 7 ASN HA A 9 PHE H 1.0 1.8 5.09 359 359 A 9 PHE H A 8 PRO HA 1.0 1.8 3.81 360 360 A 13 ASN H A 14 GLY H 1.0 1.8 5.07 361 361 A 16 PHE H A 15 ALA H 1.0 1.8 5.26 362 362 A 14 GLY H A 15 ALA H 1.0 1.8 5.17 363 363 A 31 VAL H A 15 ALA H 1.0 1.8 5.21 364 364 A 15 ALA H A 14 GLY HAy 1.0 1.8 3.42 365 365 A 15 ALA H A 14 GLY HAx 1.0 1.8 3.42 366 366 A 19 LEU H A 18 VAL HB 1.0 1.8 5.40 367 367 A 19 LEU H A 19 LEU HG 1.0 1.8 5.43 368 368 A 23 GLU H A 22 ASP H 1.0 1.8 3.89 369 369 A 22 ASP H A 22 ASP HBy 1.0 1.8 3.64 370 370 A 22 ASP H A 22 ASP HBx 1.0 1.8 3.64 371 371 A 22 ASP H A 23 GLU HGx 1.0 1.8 6.05 372 372 A 22 ASP H A 23 GLU HGy 1.0 1.8 6.05 373 373 A 19 LEU HA A 20 VAL H 1.0 1.8 2.97 374 374 A 23 GLU H A 24 ASP H 1.0 1.8 4.18 375 375 A 24 ASP H A 25 GLN H 1.0 1.8 4.64 376 376 A 25 GLN H A 24 ASP HA 1.0 1.8 3.67 377 377 A 25 GLN H A 24 ASP HBx 1.0 1.8 5.31 378 378 A 25 GLN H A 24 ASP HBy 1.0 1.8 5.31 379 379 A 25 GLN H A 25 GLN HGx 1.0 1.8 4.10 380 380 A 25 GLN H A 25 GLN HGy 1.0 1.8 4.10 381 381 A 25 GLN H A 25 GLN HBy 1.0 1.8 4.25 382 382 A 25 GLN H A 25 GLN HBx 1.0 1.8 4.25 383 383 A 33 ALA HB% A 34 ASP H 1.0 1.8 4.82 384 384 A 34 ASP HA A 35 ILE H 1.0 1.8 3.17 385 385 A 35 ILE H A 34 ASP HBx 1.0 1.8 5.58 386 386 A 35 ILE H A 34 ASP HBy 1.0 1.8 5.58 387 387 A 35 ILE HG2% A 35 ILE H 1.0 1.8 4.29 388 388 A 37 ALA HB% A 37 ALA H 1.0 1.8 2.66 389 389 A 41 VAL H A 40 ARG H 1.0 1.8 4.37 390 390 A 41 VAL H A 43 HIS H 1.0 1.8 6.05 391 391 A 19 LEU HA A 41 VAL H 1.0 1.8 5.21 392 392 A 41 VAL H A 41 VAL HB 1.0 1.8 2.76 393 393 A 41 VAL HGx% A 41 VAL H 1.0 1.8 4.17 394 394 A 41 VAL HGy% A 41 VAL H 1.0 1.8 2.96 395 395 A 45 GLU HBy A 15 ALA H 1.0 1.8 6.05 396 396 A 15 ALA HB% A 15 ALA H 1.0 1.8 3.12 397 397 A 15 ALA H A 31 VAL HGx% 1.0 1.8 5.28 398 398 A 15 ALA H A 31 VAL HGy% 1.0 1.8 5.28 399 399 A 41 VAL HGy% A 43 HIS H 1.0 1.8 4.83 400 400 A 41 VAL HGx% A 43 HIS H 1.0 1.8 2.98 401 401 A 43 HIS H A 18 VAL HGx% 1.0 1.8 4.93 402 402 A 43 HIS H A 18 VAL HGy% 1.0 1.8 4.93 403 403 A 43 HIS H A 41 VAL HB 1.0 1.8 4.97 404 404 A 43 HIS H A 43 HIS HBx 1.0 1.8 4.27 405 405 A 43 HIS H A 43 HIS HBy 1.0 1.8 4.27 406 406 A 43 HIS H A 42 VAL HB 1.0 1.8 4.29 407 407 A 17 PHE HBx A 43 HIS H 1.0 1.8 6.05 408 408 A 41 VAL HA A 43 HIS H 1.0 1.8 3.96 409 409 A 42 VAL HA A 43 HIS H 1.0 1.8 3.88 410 410 A 17 PHE HA A 43 HIS H 1.0 1.8 6.05 411 411 A 19 LEU HA A 43 HIS H 1.0 1.8 5.85 412 412 A 18 VAL H A 43 HIS H 1.0 1.8 3.89 413 413 A 43 HIS H A 42 VAL H 1.0 1.8 2.80 414 414 A 44 GLY H A 43 HIS HA 1.0 1.8 3.17 415 415 A 17 PHE HDy A 45 GLU H 1.0 1.8 4.61 416 416 A 45 GLU HGy A 45 GLU H 1.0 1.8 3.92 417 417 A 45 GLU HGx A 45 GLU H 1.0 1.8 3.90 418 418 A 45 GLU HBy A 45 GLU H 1.0 1.8 3.55 419 419 A 15 ALA HB% A 45 GLU H 1.0 1.8 5.76 420 420 A 46 ALA H A 45 GLU H 1.0 1.8 4.50 421 421 A 46 ALA H A 47 SER H 1.0 1.8 5.05 422 422 A 17 PHE HA A 46 ALA H 1.0 1.8 6.05 423 423 A 44 GLY HAx A 46 ALA H 1.0 1.8 5.11 424 424 A 45 GLU HGx A 46 ALA H 1.0 1.8 4.99 425 425 A 46 ALA H A 46 ALA HB% 1.0 1.8 3.04 426 426 A 47 SER HA A 48 ARG H 1.0 1.8 3.26 427 427 A 48 ARG H A 49 ALA HB% 1.0 1.8 5.15 428 428 A 48 ARG H A 48 ARG HGy 1.0 1.8 5.14 429 429 A 48 ARG H A 48 ARG HGx 1.0 1.8 5.14 430 430 A 50 ALA H A 48 ARG H 1.0 1.8 5.07 431 431 A 49 ALA H A 50 ALA H 1.0 1.8 3.37 432 432 A 50 ALA H A 51 CYS H 1.0 1.8 3.26 433 433 A 48 ARG HA A 50 ALA H 1.0 1.8 5.39 434 434 A 51 CYS HBy A 50 ALA H 1.0 1.8 5.65 435 435 A 50 ALA H A 49 ALA HB% 1.0 1.8 3.13 436 436 A 16 PHE HA A 31 VAL H 1.0 1.8 4.80 437 437 A 31 VAL H A 31 VAL HGy% 1.0 1.8 4.37 438 438 A 64 PRO HA A 65 LYS H 1.0 1.8 2.84 439 439 A 54 TYR HDy A 42 VAL HB 1.0 1.8 4.95 440 440 A 42 VAL HB A 54 TYR HEy 1.0 1.8 4.70 441 441 A 48 ARG HBy A 16 PHE HDy 1.0 1.8 4.25 442 442 A 17 PHE HDx A 44 GLY HAy 1.0 1.8 5.25 443 443 A 44 GLY HAy A 17 PHE HDy 1.0 1.8 5.57 444 444 A 16 PHE HEx A 46 ALA HB% 1.0 1.8 5.89 445 445 A 28 LEU HDx% A 16 PHE HEx 1.0 1.8 4.95 446 446 A 7 ASN HA A 8 PRO HDy 1.0 1.8 3.29 447 446 A 7 ASN HA A 8 PRO HDx 1.0 1.8 3.29 448 447 A 7 ASN HBx A 7 ASN HD2x 1.0 1.8 3.50 449 447 A 7 ASN HD2y A 7 ASN HBy 1.0 1.8 3.50 450 447 A 7 ASN HBx A 7 ASN HD2y 1.0 1.8 3.50 451 447 A 7 ASN HBy A 7 ASN HD2x 1.0 1.8 3.50 452 448 A 8 PRO HA A 7 ASN HBy 1.0 1.8 5.53 453 448 A 8 PRO HA A 7 ASN HBx 1.0 1.8 5.53 454 449 A 7 ASN HBy A 8 PRO HDy 1.0 1.8 5.02 455 449 A 7 ASN HBx A 8 PRO HDy 1.0 1.8 5.02 456 449 A 8 PRO HDx A 7 ASN HBy 1.0 1.8 5.02 457 449 A 8 PRO HDx A 7 ASN HBx 1.0 1.8 5.02 458 450 A 9 PHE H A 7 ASN HBy 1.0 1.8 5.15 459 450 A 9 PHE H A 7 ASN HBx 1.0 1.8 5.15 460 451 A 9 PHE H A 8 PRO HBy 1.0 1.8 4.47 461 451 A 9 PHE H A 8 PRO HBx 1.0 1.8 4.47 462 452 A 9 PHE H A 8 PRO HGy 1.0 1.8 4.39 463 452 A 9 PHE H A 8 PRO HGx 1.0 1.8 4.39 464 453 A 9 PHE H A 9 PHE HBx 1.0 1.8 3.31 465 453 A 9 PHE H A 9 PHE HBy 1.0 1.8 3.31 466 454 A 15 ALA H A 14 GLY HAx 1.0 1.8 2.95 467 454 A 15 ALA H A 14 GLY HAy 1.0 1.8 2.95 468 455 A 15 ALA H A 31 VAL HGx% 1.0 1.8 4.39 469 455 A 15 ALA H A 31 VAL HGy% 1.0 1.8 4.39 470 456 A 15 ALA HA A 31 VAL HGx% 1.0 1.8 5.24 471 456 A 15 ALA HA A 31 VAL HGy% 1.0 1.8 5.24 472 457 A 15 ALA HB% A 31 VAL HGx% 1.0 1.8 3.13 473 457 A 15 ALA HB% A 31 VAL HGy% 1.0 1.8 3.13 474 458 A 16 PHE H A 31 VAL HGx% 1.0 1.8 5.98 475 458 A 16 PHE H A 31 VAL HGy% 1.0 1.8 5.98 476 459 A 16 PHE HA A 31 VAL HGx% 1.0 1.8 4.16 477 459 A 16 PHE HA A 31 VAL HGy% 1.0 1.8 4.16 478 460 A 16 PHE HDx A 48 ARG HGy 1.0 1.8 5.87 479 460 A 16 PHE HDx A 48 ARG HGx 1.0 1.8 5.87 480 461 A 16 PHE HDy A 48 ARG HGy 1.0 1.8 5.87 481 461 A 16 PHE HDy A 48 ARG HGx 1.0 1.8 5.87 482 462 A 17 PHE HA A 18 VAL HGx% 1.0 1.8 5.68 483 462 A 17 PHE HA A 18 VAL HGy% 1.0 1.8 5.68 484 463 A 18 VAL H A 18 VAL HGx% 1.0 1.8 4.31 485 463 A 18 VAL H A 18 VAL HGy% 1.0 1.8 4.31 486 464 A 18 VAL H A 43 HIS HBx 1.0 1.8 4.95 487 464 A 18 VAL H A 43 HIS HBy 1.0 1.8 4.95 488 465 A 19 LEU H A 18 VAL HGx% 1.0 1.8 4.85 489 465 A 19 LEU H A 18 VAL HGy% 1.0 1.8 4.85 490 466 A 28 LEU HA A 18 VAL HGx% 1.0 1.8 4.79 491 466 A 28 LEU HA A 18 VAL HGy% 1.0 1.8 4.79 492 467 A 28 LEU HG A 18 VAL HGx% 1.0 1.8 4.87 493 467 A 28 LEU HG A 18 VAL HGy% 1.0 1.8 4.87 494 468 A 28 LEU HDx% A 18 VAL HGx% 1.0 1.8 3.96 495 468 A 28 LEU HDx% A 18 VAL HGy% 1.0 1.8 3.96 496 469 A 28 LEU HDy% A 18 VAL HGx% 1.0 1.8 3.19 497 469 A 28 LEU HDy% A 18 VAL HGy% 1.0 1.8 3.19 498 470 A 42 VAL H A 18 VAL HGx% 1.0 1.8 4.87 499 470 A 42 VAL H A 18 VAL HGy% 1.0 1.8 4.87 500 471 A 42 VAL HB A 18 VAL HGx% 1.0 1.8 3.69 501 471 A 42 VAL HB A 18 VAL HGy% 1.0 1.8 3.69 502 472 A 43 HIS H A 18 VAL HGx% 1.0 1.8 4.07 503 472 A 43 HIS H A 18 VAL HGy% 1.0 1.8 4.07 504 473 A 51 CYS HA A 18 VAL HGx% 1.0 1.8 3.63 505 473 A 51 CYS HA A 18 VAL HGy% 1.0 1.8 3.63 506 474 A 51 CYS HBy A 18 VAL HGx% 1.0 1.8 3.95 507 474 A 51 CYS HBy A 18 VAL HGy% 1.0 1.8 3.95 508 475 A 51 CYS HBx A 18 VAL HGx% 1.0 1.8 3.73 509 475 A 51 CYS HBx A 18 VAL HGy% 1.0 1.8 3.73 510 476 A 54 TYR H A 18 VAL HGx% 1.0 1.8 5.98 511 476 A 54 TYR H A 18 VAL HGy% 1.0 1.8 5.98 512 477 A 18 VAL HGx% A 54 TYR HBx 1.0 1.8 5.30 513 477 A 54 TYR HBy A 18 VAL HGx% 1.0 1.8 5.30 514 477 A 18 VAL HGy% A 54 TYR HBy 1.0 1.8 5.30 515 477 A 18 VAL HGy% A 54 TYR HBx 1.0 1.8 5.30 516 478 A 54 TYR HDy A 18 VAL HGx% 1.0 1.8 4.72 517 478 A 54 TYR HDy A 18 VAL HGy% 1.0 1.8 4.72 518 479 A 19 LEU HA A 39 TRP HBx 1.0 1.8 5.17 519 479 A 19 LEU HA A 39 TRP HBy 1.0 1.8 5.17 520 480 A 19 LEU HA A 42 VAL HGx% 1.0 1.8 4.66 521 480 A 19 LEU HA A 42 VAL HGy% 1.0 1.8 4.66 522 481 A 19 LEU HBy A 27 SER HBx 1.0 1.8 5.27 523 481 A 19 LEU HBy A 27 SER HBy 1.0 1.8 5.27 524 482 A 19 LEU HBy A 39 TRP HBx 1.0 1.8 5.40 525 482 A 19 LEU HBy A 39 TRP HBy 1.0 1.8 5.40 526 483 A 19 LEU HBx A 27 SER HBx 1.0 1.8 5.31 527 483 A 19 LEU HBx A 27 SER HBy 1.0 1.8 5.31 528 484 A 19 LEU HBx A 39 TRP HBx 1.0 1.8 5.61 529 484 A 19 LEU HBx A 39 TRP HBy 1.0 1.8 5.61 530 485 A 19 LEU HDx% A 39 TRP HBx 1.0 1.8 3.85 531 485 A 19 LEU HDx% A 39 TRP HBy 1.0 1.8 3.85 532 486 A 19 LEU HDy% A 36 PRO HGx 1.0 1.8 4.21 533 486 A 19 LEU HDy% A 36 PRO HGy 1.0 1.8 4.21 534 487 A 19 LEU HDy% A 39 TRP HBx 1.0 1.8 3.74 535 487 A 19 LEU HDy% A 39 TRP HBy 1.0 1.8 3.74 536 488 A 20 VAL H A 39 TRP HBx 1.0 1.8 5.28 537 488 A 20 VAL H A 39 TRP HBy 1.0 1.8 5.28 538 489 A 20 VAL H A 42 VAL HGx% 1.0 1.8 3.72 539 489 A 20 VAL H A 42 VAL HGy% 1.0 1.8 3.72 540 490 A 20 VAL HA A 42 VAL HGx% 1.0 1.8 5.29 541 490 A 20 VAL HA A 42 VAL HGy% 1.0 1.8 5.29 542 491 A 20 VAL HB A 42 VAL HGx% 1.0 1.8 3.48 543 491 A 20 VAL HB A 42 VAL HGy% 1.0 1.8 3.48 544 492 A 21 ASN H A 20 VAL HGx% 1.0 1.8 5.18 545 492 A 21 ASN H A 20 VAL HGy% 1.0 1.8 5.18 546 493 A 24 ASP H A 20 VAL HGx% 1.0 1.8 5.30 547 493 A 24 ASP H A 20 VAL HGy% 1.0 1.8 5.30 548 494 A 20 VAL HGy% A 24 ASP HBx 1.0 1.8 4.74 549 494 A 24 ASP HBy A 20 VAL HGx% 1.0 1.8 4.74 550 494 A 20 VAL HGy% A 24 ASP HBy 1.0 1.8 4.74 551 494 A 20 VAL HGx% A 24 ASP HBx 1.0 1.8 4.74 552 495 A 26 HIS HA A 20 VAL HGx% 1.0 1.8 4.42 553 495 A 26 HIS HA A 20 VAL HGy% 1.0 1.8 4.42 554 496 A 21 ASN H A 42 VAL HGx% 1.0 1.8 5.98 555 496 A 21 ASN H A 42 VAL HGy% 1.0 1.8 5.98 556 497 A 21 ASN HA A 22 ASP HBx 1.0 1.8 5.30 557 497 A 21 ASN HA A 22 ASP HBy 1.0 1.8 5.30 558 498 A 22 ASP H A 21 ASN HBy 1.0 1.8 4.87 559 498 A 22 ASP H A 21 ASN HBx 1.0 1.8 4.87 560 499 A 23 GLU H A 21 ASN HBy 1.0 1.8 5.26 561 499 A 23 GLU H A 21 ASN HBx 1.0 1.8 5.26 562 500 A 22 ASP H A 22 ASP HBx 1.0 1.8 3.11 563 500 A 22 ASP H A 22 ASP HBy 1.0 1.8 3.11 564 501 A 22 ASP H A 23 GLU HBy 1.0 1.8 5.50 565 501 A 22 ASP H A 23 GLU HBx 1.0 1.8 5.50 566 502 A 23 GLU H A 23 GLU HBy 1.0 1.8 4.02 567 502 A 23 GLU H A 23 GLU HBx 1.0 1.8 4.02 568 503 A 23 GLU H A 23 GLU HGy 1.0 1.8 4.37 569 503 A 23 GLU H A 23 GLU HGx 1.0 1.8 4.37 570 504 A 23 GLU HA A 23 GLU HGy 1.0 1.8 3.97 571 504 A 23 GLU HGx A 23 GLU HA 1.0 1.8 3.97 572 505 A 25 GLN H A 25 GLN HBx 1.0 1.8 3.37 573 505 A 25 GLN H A 25 GLN HBy 1.0 1.8 3.37 574 506 A 25 GLN H A 25 GLN HGy 1.0 1.8 3.52 575 506 A 25 GLN H A 25 GLN HGx 1.0 1.8 3.52 576 507 A 26 HIS H A 55 VAL HGx% 1.0 1.8 5.98 577 507 A 26 HIS H A 55 VAL HGy% 1.0 1.8 5.98 578 508 A 26 HIS HA A 55 VAL HGx% 1.0 1.8 4.71 579 508 A 26 HIS HA A 55 VAL HGy% 1.0 1.8 4.71 580 509 A 26 HIS HBx A 55 VAL HGx% 1.0 1.8 4.14 581 509 A 26 HIS HBy A 55 VAL HGx% 1.0 1.8 4.14 582 509 A 55 VAL HGy% A 26 HIS HBx 1.0 1.8 4.14 583 509 A 55 VAL HGy% A 26 HIS HBy 1.0 1.8 4.14 584 510 A 28 LEU HG A 52 LEU HDx% 1.0 1.8 3.74 585 510 A 28 LEU HG A 52 LEU HDy% 1.0 1.8 3.74 586 511 A 28 LEU HDx% A 48 ARG HDy 1.0 1.8 4.83 587 511 A 28 LEU HDx% A 48 ARG HDx 1.0 1.8 4.83 588 512 A 29 TRP HA A 30 PRO HDx 1.0 1.8 3.53 589 512 A 29 TRP HA A 30 PRO HDy 1.0 1.8 3.53 590 513 A 29 TRP HD1 A 35 ILE HG1y 1.0 1.8 5.26 591 513 A 29 TRP HD1 A 35 ILE HG1x 1.0 1.8 5.26 592 514 A 29 TRP HE1 A 35 ILE HG1y 1.0 1.8 5.10 593 514 A 29 TRP HE1 A 35 ILE HG1x 1.0 1.8 5.10 594 515 A 31 VAL HA A 31 VAL HGx% 1.0 1.8 3.29 595 515 A 31 VAL HA A 31 VAL HGy% 1.0 1.8 3.29 596 516 A 45 GLU H A 31 VAL HGx% 1.0 1.8 5.81 597 516 A 45 GLU H A 31 VAL HGy% 1.0 1.8 5.81 598 517 A 45 GLU HA A 31 VAL HGx% 1.0 1.8 5.62 599 517 A 45 GLU HA A 31 VAL HGy% 1.0 1.8 5.62 600 518 A 45 GLU HBy A 31 VAL HGx% 1.0 1.8 3.81 601 518 A 45 GLU HBy A 31 VAL HGy% 1.0 1.8 3.81 602 519 A 45 GLU HGy A 31 VAL HGx% 1.0 1.8 4.49 603 519 A 45 GLU HGy A 31 VAL HGy% 1.0 1.8 4.49 604 520 A 45 GLU HGx A 31 VAL HGx% 1.0 1.8 4.87 605 520 A 45 GLU HGx A 31 VAL HGy% 1.0 1.8 4.87 606 521 A 34 ASP HA A 35 ILE HG1y 1.0 1.8 4.83 607 521 A 34 ASP HA A 35 ILE HG1x 1.0 1.8 4.83 608 522 A 35 ILE H A 34 ASP HBy 1.0 1.8 4.83 609 522 A 35 ILE H A 34 ASP HBx 1.0 1.8 4.83 610 523 A 35 ILE HA A 35 ILE HG1y 1.0 1.8 3.96 611 523 A 35 ILE HA A 35 ILE HG1x 1.0 1.8 3.96 612 524 A 35 ILE HA A 36 PRO HGx 1.0 1.8 4.61 613 524 A 35 ILE HA A 36 PRO HGy 1.0 1.8 4.61 614 525 A 37 ALA H A 36 PRO HBy 1.0 1.8 3.61 615 525 A 37 ALA H A 36 PRO HBx 1.0 1.8 3.61 616 526 A 39 TRP HD1 A 36 PRO HBy 1.0 1.8 4.54 617 526 A 39 TRP HD1 A 36 PRO HBx 1.0 1.8 4.54 618 527 A 37 ALA H A 36 PRO HGx 1.0 1.8 4.88 619 527 A 37 ALA H A 36 PRO HGy 1.0 1.8 4.88 620 528 A 39 TRP HD1 A 36 PRO HGx 1.0 1.8 4.42 621 528 A 39 TRP HD1 A 36 PRO HGy 1.0 1.8 4.42 622 529 A 37 ALA HB% A 38 GLY HAx 1.0 1.8 4.46 623 529 A 37 ALA HB% A 38 GLY HAy 1.0 1.8 4.46 624 530 A 39 TRP HD1 A 38 GLY HAx 1.0 1.8 5.01 625 530 A 39 TRP HD1 A 38 GLY HAy 1.0 1.8 5.01 626 531 A 40 ARG H A 39 TRP HBx 1.0 1.8 3.94 627 531 A 40 ARG H A 39 TRP HBy 1.0 1.8 3.94 628 532 A 40 ARG H A 40 ARG HBy 1.0 1.8 3.96 629 532 A 40 ARG H A 40 ARG HBx 1.0 1.8 3.96 630 533 A 40 ARG H A 40 ARG HGy 1.0 1.8 4.84 631 533 A 40 ARG H A 40 ARG HGx 1.0 1.8 4.84 632 534 A 40 ARG H A 42 VAL HGx% 1.0 1.8 5.91 633 534 A 40 ARG H A 42 VAL HGy% 1.0 1.8 5.91 634 535 A 40 ARG HBy A 40 ARG HDx 1.0 1.8 2.93 635 535 A 40 ARG HBx A 40 ARG HDx 1.0 1.8 2.93 636 535 A 40 ARG HDy A 40 ARG HBy 1.0 1.8 2.93 637 535 A 40 ARG HBx A 40 ARG HDy 1.0 1.8 2.93 638 536 A 41 VAL H A 40 ARG HBy 1.0 1.8 4.89 639 536 A 41 VAL H A 40 ARG HBx 1.0 1.8 4.89 640 537 A 41 VAL H A 40 ARG HGy 1.0 1.8 4.61 641 537 A 41 VAL H A 40 ARG HGx 1.0 1.8 4.61 642 538 A 41 VAL H A 40 ARG HDx 1.0 1.8 5.12 643 538 A 41 VAL H A 40 ARG HDy 1.0 1.8 5.12 644 539 A 41 VAL HA A 42 VAL HGx% 1.0 1.8 4.32 645 539 A 41 VAL HA A 42 VAL HGy% 1.0 1.8 4.32 646 540 A 42 VAL H A 42 VAL HGx% 1.0 1.8 3.98 647 540 A 42 VAL H A 42 VAL HGy% 1.0 1.8 3.98 648 541 A 42 VAL H A 43 HIS HBx 1.0 1.8 5.71 649 541 A 42 VAL H A 43 HIS HBy 1.0 1.8 5.71 650 542 A 43 HIS H A 42 VAL HGx% 1.0 1.8 4.84 651 542 A 43 HIS H A 42 VAL HGy% 1.0 1.8 4.84 652 543 A 43 HIS H A 43 HIS HBx 1.0 1.8 3.40 653 543 A 43 HIS H A 43 HIS HBy 1.0 1.8 3.40 654 544 A 44 GLY H A 43 HIS HBx 1.0 1.8 4.32 655 544 A 44 GLY H A 43 HIS HBy 1.0 1.8 4.32 656 545 A 47 SER H A 47 SER HBy 1.0 1.8 3.84 657 545 A 47 SER H A 47 SER HBx 1.0 1.8 3.84 658 546 A 48 ARG H A 47 SER HBy 1.0 1.8 4.29 659 546 A 48 ARG H A 47 SER HBx 1.0 1.8 4.29 660 547 A 49 ALA H A 47 SER HBy 1.0 1.8 4.40 661 547 A 49 ALA H A 47 SER HBx 1.0 1.8 4.40 662 548 A 50 ALA HB% A 47 SER HBy 1.0 1.8 5.04 663 548 A 50 ALA HB% A 47 SER HBx 1.0 1.8 5.04 664 549 A 48 ARG H A 48 ARG HDy 1.0 1.8 5.22 665 549 A 48 ARG H A 48 ARG HDx 1.0 1.8 5.22 666 550 A 48 ARG HA A 48 ARG HGy 1.0 1.8 3.43 667 550 A 48 ARG HA A 48 ARG HGx 1.0 1.8 3.43 668 551 A 48 ARG HA A 48 ARG HDy 1.0 1.8 4.06 669 551 A 48 ARG HA A 48 ARG HDx 1.0 1.8 4.06 670 552 A 48 ARG HBx A 48 ARG HDy 1.0 1.8 4.04 671 552 A 48 ARG HBx A 48 ARG HDx 1.0 1.8 4.04 672 553 A 49 ALA H A 48 ARG HGy 1.0 1.8 4.94 673 553 A 49 ALA H A 48 ARG HGx 1.0 1.8 4.94 674 554 A 51 CYS H A 48 ARG HGy 1.0 1.8 5.72 675 554 A 51 CYS H A 48 ARG HGx 1.0 1.8 5.72 676 555 A 52 LEU H A 48 ARG HGy 1.0 1.8 4.94 677 555 A 52 LEU H A 48 ARG HGx 1.0 1.8 4.94 678 556 A 49 ALA H A 48 ARG HDy 1.0 1.8 5.27 679 556 A 49 ALA H A 48 ARG HDx 1.0 1.8 5.27 680 557 A 51 CYS HBy A 48 ARG HDy 1.0 1.8 4.82 681 557 A 51 CYS HBy A 48 ARG HDx 1.0 1.8 4.82 682 558 A 52 LEU H A 48 ARG HDy 1.0 1.8 4.65 683 558 A 52 LEU H A 48 ARG HDx 1.0 1.8 4.65 684 559 A 52 LEU HG A 48 ARG HDy 1.0 1.8 5.18 685 559 A 52 LEU HG A 48 ARG HDx 1.0 1.8 5.18 686 560 A 49 ALA H A 52 LEU HDx% 1.0 1.8 5.13 687 560 A 49 ALA H A 52 LEU HDy% 1.0 1.8 5.13 688 561 A 49 ALA HA A 52 LEU HDx% 1.0 1.8 4.28 689 561 A 49 ALA HA A 52 LEU HDy% 1.0 1.8 4.28 690 562 A 50 ALA H A 52 LEU HDx% 1.0 1.8 5.98 691 562 A 50 ALA H A 52 LEU HDy% 1.0 1.8 5.98 692 563 A 50 ALA H A 53 ASP HBx 1.0 1.8 5.32 693 563 A 50 ALA H A 53 ASP HBy 1.0 1.8 5.32 694 564 A 50 ALA HA A 53 ASP HBx 1.0 1.8 3.63 695 564 A 50 ALA HA A 53 ASP HBy 1.0 1.8 3.63 696 565 A 50 ALA HB% A 53 ASP HBx 1.0 1.8 4.70 697 565 A 50 ALA HB% A 53 ASP HBy 1.0 1.8 4.70 698 566 A 51 CYS H A 52 LEU HDx% 1.0 1.8 5.98 699 566 A 51 CYS H A 52 LEU HDy% 1.0 1.8 5.98 700 567 A 51 CYS HA A 54 TYR HBx 1.0 1.8 3.84 701 567 A 51 CYS HA A 54 TYR HBy 1.0 1.8 3.84 702 568 A 51 CYS HBy A 52 LEU HDx% 1.0 1.8 5.06 703 568 A 51 CYS HBy A 52 LEU HDy% 1.0 1.8 5.06 704 569 A 52 LEU H A 52 LEU HDx% 1.0 1.8 3.99 705 569 A 52 LEU H A 52 LEU HDy% 1.0 1.8 3.99 706 570 A 52 LEU HA A 52 LEU HDx% 1.0 1.8 3.65 707 570 A 52 LEU HA A 52 LEU HDy% 1.0 1.8 3.65 708 571 A 52 LEU HA A 55 VAL HGx% 1.0 1.8 3.34 709 571 A 52 LEU HA A 55 VAL HGy% 1.0 1.8 3.34 710 572 A 53 ASP H A 52 LEU HDx% 1.0 1.8 4.83 711 572 A 53 ASP H A 52 LEU HDy% 1.0 1.8 4.83 712 573 A 56 GLU HGx A 52 LEU HDx% 1.0 1.8 5.24 713 573 A 56 GLU HGx A 52 LEU HDy% 1.0 1.8 5.24 714 574 A 53 ASP H A 53 ASP HBx 1.0 1.8 3.10 715 574 A 53 ASP H A 53 ASP HBy 1.0 1.8 3.10 716 575 A 53 ASP H A 54 TYR HBx 1.0 1.8 5.87 717 575 A 53 ASP H A 54 TYR HBy 1.0 1.8 5.87 718 576 A 54 TYR H A 53 ASP HBx 1.0 1.8 4.02 719 576 A 54 TYR H A 53 ASP HBy 1.0 1.8 4.02 720 577 A 54 TYR H A 55 VAL HGx% 1.0 1.8 5.40 721 577 A 54 TYR H A 55 VAL HGy% 1.0 1.8 5.40 722 578 A 54 TYR HA A 55 VAL HGx% 1.0 1.8 5.70 723 578 A 54 TYR HA A 55 VAL HGy% 1.0 1.8 5.70 724 579 A 54 TYR HA A 57 LYS HDx 1.0 1.8 4.04 725 579 A 54 TYR HA A 57 LYS HDy 1.0 1.8 4.04 726 580 A 54 TYR HA A 58 ASN HD2y 1.0 1.8 4.73 727 580 A 54 TYR HA A 58 ASN HD2x 1.0 1.8 4.73 728 581 A 54 TYR HDx A 54 TYR HBx 1.0 1.8 3.51 729 581 A 54 TYR HDx A 54 TYR HBy 1.0 1.8 3.51 730 582 A 54 TYR HDy A 54 TYR HBx 1.0 1.8 3.58 731 582 A 54 TYR HDy A 54 TYR HBy 1.0 1.8 3.58 732 583 A 55 VAL H A 54 TYR HBx 1.0 1.8 3.70 733 583 A 55 VAL H A 54 TYR HBy 1.0 1.8 3.70 734 584 A 54 TYR HBx A 55 VAL HGx% 1.0 1.8 4.58 735 584 A 55 VAL HGy% A 54 TYR HBx 1.0 1.8 4.58 736 584 A 54 TYR HBy A 55 VAL HGy% 1.0 1.8 4.58 737 584 A 54 TYR HBy A 55 VAL HGx% 1.0 1.8 4.58 738 585 A 54 TYR HDy A 55 VAL HGx% 1.0 1.8 4.80 739 585 A 54 TYR HDy A 55 VAL HGy% 1.0 1.8 4.80 740 586 A 55 VAL H A 55 VAL HGx% 1.0 1.8 4.35 741 586 A 55 VAL H A 55 VAL HGy% 1.0 1.8 4.35 742 587 A 56 GLU H A 55 VAL HGx% 1.0 1.8 4.22 743 587 A 56 GLU H A 55 VAL HGy% 1.0 1.8 4.22 744 588 A 56 GLU HA A 55 VAL HGx% 1.0 1.8 4.49 745 588 A 56 GLU HA A 55 VAL HGy% 1.0 1.8 4.49 746 589 A 56 GLU HGy A 55 VAL HGx% 1.0 1.8 5.24 747 589 A 56 GLU HGy A 55 VAL HGy% 1.0 1.8 5.24 748 590 A 56 GLU HGx A 55 VAL HGx% 1.0 1.8 5.18 749 590 A 56 GLU HGx A 55 VAL HGy% 1.0 1.8 5.18 750 591 A 56 GLU HBx A 57 LYS HGy 1.0 1.8 5.19 751 591 A 56 GLU HBx A 57 LYS HGx 1.0 1.8 5.19 752 592 A 57 LYS H A 57 LYS HGy 1.0 1.8 3.94 753 592 A 57 LYS H A 57 LYS HGx 1.0 1.8 3.94 754 593 A 57 LYS HA A 57 LYS HGy 1.0 1.8 3.49 755 593 A 57 LYS HA A 57 LYS HGx 1.0 1.8 3.49 756 594 A 57 LYS HA A 57 LYS HDx 1.0 1.8 5.06 757 594 A 57 LYS HA A 57 LYS HDy 1.0 1.8 5.06 758 595 A 57 LYS HBx A 58 ASN HD2y 1.0 1.8 4.91 759 595 A 57 LYS HBx A 58 ASN HD2x 1.0 1.8 4.91 760 596 A 58 ASN HD2y A 57 LYS HBy 1.0 1.8 5.31 761 596 A 57 LYS HBy A 58 ASN HD2x 1.0 1.8 5.31 762 597 A 58 ASN H A 57 LYS HGy 1.0 1.8 5.29 763 597 A 58 ASN H A 57 LYS HGx 1.0 1.8 5.29 764 598 A 58 ASN H A 58 ASN HBy 1.0 1.8 3.33 765 598 A 58 ASN H A 58 ASN HBx 1.0 1.8 3.33 766 599 A 58 ASN H A 58 ASN HD2y 1.0 1.8 3.82 767 599 A 58 ASN H A 58 ASN HD2x 1.0 1.8 3.82 768 600 A 59 TRP H A 59 TRP HBx 1.0 1.8 3.92 769 600 A 59 TRP H A 59 TRP HBy 1.0 1.8 3.92 770 601 A 65 LYS H A 64 PRO HBy 1.0 1.8 4.00 771 601 A 65 LYS H A 64 PRO HBx 1.0 1.8 4.00 772 602 A 65 LYS H A 65 LYS HBy 1.0 1.8 3.88 773 602 A 65 LYS H A 65 LYS HBx 1.0 1.8 3.88 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 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 20 VAL H A 40 ARG O 1.0 0.0 2.0 2 2 A 40 ARG O A 20 VAL N 1.0 0.0 3.0 3 3 A 42 VAL H A 18 VAL O 1.0 0.0 2.0 4 4 A 18 VAL O A 42 VAL N 1.0 0.0 3.0 5 5 A 17 PHE H A 29 TRP O 1.0 0.0 2.0 6 6 A 29 TRP O A 17 PHE N 1.0 0.0 3.0 7 7 A 19 LEU H A 27 SER O 1.0 0.0 2.0 8 8 A 27 SER O A 19 LEU N 1.0 0.0 3.0 9 9 A 31 VAL H A 15 ALA O 1.0 0.0 2.0 10 10 A 15 ALA O A 31 VAL N 1.0 0.0 3.2 11 11 A 18 VAL H A 43 HIS O 1.0 0.0 2.0 12 12 A 43 HIS O A 18 VAL N 1.0 0.0 3.0 13 13 A 57 LYS H A 53 ASP O 1.0 0.0 2.0 14 14 A 53 ASP O A 57 LYS N 1.0 0.0 3.0 15 15 A 56 GLU H A 52 LEU O 1.0 0.0 2.0 16 16 A 52 LEU O A 56 GLU N 1.0 0.0 3.0 17 17 A 55 VAL H A 51 CYS O 1.0 0.0 2.0 18 18 A 51 CYS O A 55 VAL N 1.0 0.0 3.0 19 19 A 54 TYR H A 50 ALA O 1.0 0.0 2.0 20 20 A 50 ALA O A 54 TYR N 1.0 0.0 3.0 21 21 A 53 ASP H A 49 ALA O 1.0 0.0 2.0 22 22 A 49 ALA O A 53 ASP N 1.0 0.0 3.0 23 23 A 52 LEU H A 48 ARG O 1.0 0.0 2.0 24 24 A 48 ARG O A 52 LEU N 1.0 0.0 3.0 25 25 A 51 CYS H A 47 SER O 1.0 0.0 2.0 26 26 A 47 SER O A 51 CYS N 1.0 0.0 3.0 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 6 THR C A 7 ASN N A 7 ASN CA A 7 ASN C 1.0 -120.1 -51.3 PHI 2 2 A 7 ASN N A 7 ASN CA A 7 ASN C A 8 PRO N 1.0 100.0 165.2 PSI 3 3 A 14 GLY C A 15 ALA N A 15 ALA CA A 15 ALA C 1.0 -166.5 -64.5 PHI 4 4 A 15 ALA N A 15 ALA CA A 15 ALA C A 16 PHE N 1.0 98.7 174.5 PSI 5 5 A 15 ALA C A 16 PHE N A 16 PHE CA A 16 PHE C 1.0 -166.4 -95.2 PHI 6 6 A 16 PHE N A 16 PHE CA A 16 PHE C A 17 PHE N 1.0 145.8 173.6 PSI 7 7 A 16 PHE C A 17 PHE N A 17 PHE CA A 17 PHE C 1.0 -172.7 -77.5 PHI 8 8 A 17 PHE N A 17 PHE CA A 17 PHE C A 18 VAL N 1.0 127.3 177.5 PSI 9 9 A 17 PHE C A 18 VAL N A 18 VAL CA A 18 VAL C 1.0 -175.1 -64.5 PHI 10 10 A 18 VAL N A 18 VAL CA A 18 VAL C A 19 LEU N 1.0 97.6 172.8 PSI 11 11 A 18 VAL C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 -132.7 -92.9 PHI 12 12 A 19 LEU N A 19 LEU CA A 19 LEU C A 20 VAL N 1.0 128.5 183.7 PSI 13 13 A 19 LEU C A 20 VAL N A 20 VAL CA A 20 VAL C 1.0 -165.2 -108.8 PHI 14 14 A 20 VAL N A 20 VAL CA A 20 VAL C A 21 ASN N 1.0 130.6 175.8 PSI 15 15 A 20 VAL C A 21 ASN N A 21 ASN CA A 21 ASN C 1.0 -124.2 -74.6 PHI 16 16 A 21 ASN N A 21 ASN CA A 21 ASN C A 22 ASP N 1.0 146.7 197.1 PSI 17 17 A 21 ASN C A 22 ASP N A 22 ASP CA A 22 ASP C 1.0 -78.8 -47.4 PHI 18 18 A 22 ASP N A 22 ASP CA A 22 ASP C A 23 GLU N 1.0 -45.5 14.1 PSI 19 19 A 22 ASP C A 23 GLU N A 23 GLU CA A 23 GLU C 1.0 -113.8 -73.8 PHI 20 20 A 23 GLU N A 23 GLU CA A 23 GLU C A 24 ASP N 1.0 -6.6 25.6 PSI 21 21 A 24 ASP C A 25 GLN N A 25 GLN CA A 25 GLN C 1.0 -129.2 -62.4 PHI 22 22 A 25 GLN N A 25 GLN CA A 25 GLN C A 26 HIS N 1.0 -52.4 31.8 PSI 23 23 A 25 GLN C A 26 HIS N A 26 HIS CA A 26 HIS C 1.0 -165.5 -85.5 PHI 24 24 A 26 HIS N A 26 HIS CA A 26 HIS C A 27 SER N 1.0 128.3 178.9 PSI 25 25 A 28 LEU C A 29 TRP N A 29 TRP CA A 29 TRP C 1.0 -152.9 -107.7 PHI 26 26 A 29 TRP N A 29 TRP CA A 29 TRP C A 30 PRO N 1.0 116.2 174.0 PSI 27 27 A 32 PHE C A 33 ALA N A 33 ALA CA A 33 ALA C 1.0 -165.5 -43.3 PHI 28 28 A 33 ALA N A 33 ALA CA A 33 ALA C A 34 ASP N 1.0 91.8 163.6 PSI 29 29 A 33 ALA C A 34 ASP N A 34 ASP CA A 34 ASP C 1.0 -119.3 -46.7 PHI 30 30 A 34 ASP N A 34 ASP CA A 34 ASP C A 35 ILE N 1.0 108.3 143.5 PSI 31 31 A 34 ASP C A 35 ILE N A 35 ILE CA A 35 ILE C 1.0 -143.9 -50.9 PHI 32 32 A 35 ILE N A 35 ILE CA A 35 ILE C A 36 PRO N 1.0 88.2 183.6 PSI 33 33 A 37 ALA C A 38 GLY N A 38 GLY CA A 38 GLY C 1.0 60.8 118.2 PHI 34 34 A 38 GLY N A 38 GLY CA A 38 GLY C A 39 TRP N 1.0 -42.3 29.5 PSI 35 35 A 39 TRP C A 40 ARG N A 40 ARG CA A 40 ARG C 1.0 -164.6 -110.4 PHI 36 36 A 40 ARG N A 40 ARG CA A 40 ARG C A 41 VAL N 1.0 114.3 185.1 PSI 37 37 A 41 VAL C A 42 VAL N A 42 VAL CA A 42 VAL C 1.0 -139.9 -62.1 PHI 38 38 A 42 VAL N A 42 VAL CA A 42 VAL C A 43 HIS N 1.0 -49.2 2.8 PSI 39 39 A 44 GLY C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 -140.2 -42.8 PHI 40 40 A 45 GLU N A 45 GLU CA A 45 GLU C A 46 ALA N 1.0 98.5 175.1 PSI 41 41 A 45 GLU C A 46 ALA N A 46 ALA CA A 46 ALA C 1.0 -172.6 -54.0 PHI 42 42 A 46 ALA N A 46 ALA CA A 46 ALA C A 47 SER N 1.0 122.9 165.7 PSI 43 43 A 46 ALA C A 47 SER N A 47 SER CA A 47 SER C 1.0 -149.0 -26.2 PHI 44 44 A 47 SER N A 47 SER CA A 47 SER C A 48 ARG N 1.0 128.5 180.5 PSI 45 45 A 47 SER C A 48 ARG N A 48 ARG CA A 48 ARG C 1.0 -70.1 -47.3 PHI 46 46 A 48 ARG N A 48 ARG CA A 48 ARG C A 49 ALA N 1.0 -59.5 -19.7 PSI 47 47 A 48 ARG C A 49 ALA N A 49 ALA CA A 49 ALA C 1.0 -69.8 -49.8 PHI 48 48 A 49 ALA N A 49 ALA CA A 49 ALA C A 50 ALA N 1.0 -53.2 -33.2 PSI 49 49 A 49 ALA C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -75.8 -55.8 PHI 50 50 A 50 ALA N A 50 ALA CA A 50 ALA C A 51 CYS N 1.0 -53.1 -30.9 PSI 51 51 A 50 ALA C A 51 CYS N A 51 CYS CA A 51 CYS C 1.0 -75.9 -51.3 PHI 52 52 A 51 CYS N A 51 CYS CA A 51 CYS C A 52 LEU N 1.0 -53.3 -29.1 PSI 53 53 A 51 CYS C A 52 LEU N A 52 LEU CA A 52 LEU C 1.0 -78.0 -54.6 PHI 54 54 A 52 LEU N A 52 LEU CA A 52 LEU C A 53 ASP N 1.0 -51.9 -31.9 PSI 55 55 A 52 LEU C A 53 ASP N A 53 ASP CA A 53 ASP C 1.0 -75.7 -55.7 PHI 56 56 A 53 ASP N A 53 ASP CA A 53 ASP C A 54 TYR N 1.0 -54.0 -30.6 PSI 57 57 A 53 ASP C A 54 TYR N A 54 TYR CA A 54 TYR C 1.0 -76.7 -54.9 PHI 58 58 A 54 TYR N A 54 TYR CA A 54 TYR C A 55 VAL N 1.0 -51.5 -26.5 PSI 59 59 A 54 TYR C A 55 VAL N A 55 VAL CA A 55 VAL C 1.0 -74.7 -54.1 PHI 60 60 A 55 VAL N A 55 VAL CA A 55 VAL C A 56 GLU N 1.0 -54.8 -34.8 PSI 61 61 A 55 VAL C A 56 GLU N A 56 GLU CA A 56 GLU C 1.0 -72.1 -49.9 PHI 62 62 A 56 GLU N A 56 GLU CA A 56 GLU C A 57 LYS N 1.0 -50.4 -30.0 PSI 63 63 A 56 GLU C A 57 LYS N A 57 LYS CA A 57 LYS C 1.0 -85.1 -56.3 PHI 64 64 A 57 LYS N A 57 LYS CA A 57 LYS C A 58 ASN N 1.0 -49.7 -15.5 PSI 65 65 A 57 LYS C A 58 ASN N A 58 ASN CA A 58 ASN C 1.0 -124.9 -50.9 PHI 66 66 A 58 ASN N A 58 ASN CA A 58 ASN C A 59 TRP N 1.0 -61.5 14.5 PSI stop_ save_