data_nef_c16995_2kz0 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 PRO start . false 2 A 2 GLY middle . false 3 A 3 SER middle . . 4 A 4 MET middle . . 5 A 5 THR middle . . 6 A 6 VAL middle . . 7 A 7 THR middle . . 8 A 8 GLN middle . . 9 A 9 SER middle . . 10 A 10 GLN middle . . 11 A 11 LEU middle . . 12 A 12 GLU middle . . 13 A 13 LEU middle . . 14 A 14 LEU middle . . 15 A 15 ILE middle . . 16 A 16 ARG middle . . 17 A 17 ASN middle . . 18 A 18 ALA middle . . 19 A 19 PHE middle . . 20 A 20 PRO middle . false 21 A 21 GLU middle . . 22 A 22 ALA middle . . 23 A 23 GLU middle . . 24 A 24 ILE middle . . 25 A 25 THR middle . . 26 A 26 VAL middle . . 27 A 27 THR middle . . 28 A 28 SER middle . . 29 A 29 LEU middle . . 30 A 30 VAL middle . . 31 A 31 GLY middle . false 32 A 32 ASP middle . . 33 A 33 ASN middle . . 34 A 34 ASN middle . . 35 A 35 HIS middle . . 36 A 36 TYR middle . . 37 A 37 SER middle . . 38 A 38 ILE middle . . 39 A 39 LYS middle . . 40 A 40 VAL middle . . 41 A 41 ILE middle . . 42 A 42 SER middle . . 43 A 43 SER middle . . 44 A 44 GLN middle . . 45 A 45 PHE middle . . 46 A 46 GLN middle . . 47 A 47 GLY middle . false 48 A 48 LYS middle . . 49 A 49 SER middle . . 50 A 50 LYS middle . . 51 A 51 LEU middle . . 52 A 52 GLU middle . . 53 A 53 GLN middle . . 54 A 54 HIS middle . . 55 A 55 ARG middle . . 56 A 56 MET middle . . 57 A 57 ILE middle . . 58 A 58 TYR middle . . 59 A 59 LYS middle . . 60 A 60 VAL middle . . 61 A 61 LEU middle . . 62 A 62 ASP middle . . 63 A 63 GLY middle . false 64 A 64 LEU middle . . 65 A 65 ASN middle . . 66 A 66 ILE middle . . 67 A 67 HIS middle . . 68 A 68 ALA middle . . 69 A 69 ILE middle . . 70 A 70 GLN middle . . 71 A 71 ILE middle . . 72 A 72 GLN middle . . 73 A 73 THR middle . . 74 A 74 GLY middle . false 75 A 75 CYS middle . . 76 A 76 LYS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 PRO HA H 1 4.52 0.02 A 1 PRO HBx H 1 2.33 0.02 A 1 PRO HBy H 1 2.33 0.02 A 1 PRO HDy H 1 3.61 0.02 A 1 PRO HDx H 1 3.58 0.02 A 1 PRO HGx H 1 2.04 0.02 A 1 PRO HGy H 1 2.04 0.02 A 1 PRO C C 13 177.6 0.2 A 1 PRO CA C 13 63.3 0.2 A 1 PRO CB C 13 32.1 0.2 A 1 PRO CD C 13 49.6 0.2 A 1 PRO CG C 13 27.0 0.2 A 2 GLY H H 1 8.56 0.02 A 2 GLY HAx H 1 4.00 0.02 A 2 GLY HAy H 1 4.00 0.02 A 2 GLY CA C 13 45.3 0.2 A 2 GLY N N 15 109.5 0.2 A 3 SER H H 1 8.15 0.02 A 3 SER HA H 1 4.49 0.02 A 3 SER HBx H 1 3.90 0.02 A 3 SER HBy H 1 3.90 0.02 A 3 SER CA C 13 58.3 0.2 A 3 SER CB C 13 63.9 0.2 A 3 SER N N 15 115.1 0.2 A 4 MET HE% H 1 2.10 0.02 A 4 MET CE C 13 16.9 0.2 A 5 THR HA H 1 4.51 0.02 A 5 THR HB H 1 4.21 0.02 A 5 THR HG2% H 1 1.27 0.02 A 5 THR C C 13 174.0 0.2 A 5 THR CA C 13 62.2 0.2 A 5 THR CB C 13 69.8 0.2 A 5 THR CG2 C 13 21.7 0.2 A 6 VAL H H 1 8.54 0.02 A 6 VAL HB H 1 2.12 0.02 A 6 VAL HGx% H 1 0.91 0.02 A 6 VAL HGy% H 1 0.91 0.02 A 6 VAL C C 13 175.7 0.2 A 6 VAL CA C 13 60.7 0.2 A 6 VAL CB C 13 34.1 0.2 A 6 VAL CGx C 13 20.9 0.2 A 6 VAL CGy C 13 20.9 0.2 A 6 VAL N N 15 121.8 0.2 A 7 THR H H 1 8.06 0.02 A 7 THR HA H 1 4.61 0.02 A 7 THR HB H 1 4.70 0.02 A 7 THR HG2% H 1 1.30 0.02 A 7 THR C C 13 174.5 0.2 A 7 THR CA C 13 60.3 0.2 A 7 THR CB C 13 71.5 0.2 A 7 THR N N 15 115.3 0.2 A 8 GLN H H 1 9.02 0.02 A 8 GLN HA H 1 3.57 0.02 A 8 GLN HBy H 1 2.38 0.02 A 8 GLN HBx H 1 2.14 0.02 A 8 GLN HE2y H 1 7.68 0.02 A 8 GLN HE2x H 1 6.86 0.02 A 8 GLN HGy H 1 2.31 0.02 A 8 GLN HGx H 1 2.22 0.02 A 8 GLN C C 13 177.7 0.2 A 8 GLN CA C 13 60.2 0.2 A 8 GLN CB C 13 28.0 0.2 A 8 GLN CG C 13 33.2 0.2 A 8 GLN N N 15 121.5 0.2 A 8 GLN NE2 N 15 111.8 0.2 A 9 SER H H 1 8.43 0.02 A 9 SER HA H 1 4.24 0.02 A 9 SER HBx H 1 3.88 0.02 A 9 SER HBy H 1 3.88 0.02 A 9 SER C C 13 177.2 0.2 A 9 SER CA C 13 61.2 0.2 A 9 SER CB C 13 62.4 0.2 A 9 SER N N 15 112.4 0.2 A 10 GLN H H 1 7.62 0.02 A 10 GLN HA H 1 4.02 0.02 A 10 GLN HBy H 1 2.24 0.02 A 10 GLN HBx H 1 2.00 0.02 A 10 GLN CA C 13 58.5 0.2 A 10 GLN CB C 13 28.8 0.2 A 10 GLN N N 15 122.4 0.2 A 11 LEU HA H 1 3.86 0.02 A 11 LEU HBy H 1 1.42 0.02 A 11 LEU HBx H 1 1.34 0.02 A 11 LEU HDx% H 1 0.42 0.2 A 11 LEU HDy% H 1 0.42 0.2 A 11 LEU C C 13 177.9 0.2 A 11 LEU CA C 13 57.8 0.2 A 11 LEU CB C 13 41.7 0.2 A 11 LEU CDx C 13 24.1 0.2 A 11 LEU CDy C 13 24.1 0.2 A 12 GLU H H 1 8.32 0.02 A 12 GLU HA H 1 3.55 0.02 A 12 GLU HBy H 1 2.13 0.02 A 12 GLU HBx H 1 2.02 0.02 A 12 GLU HGy H 1 2.30 0.02 A 12 GLU HGx H 1 2.10 0.02 A 12 GLU C C 13 177.9 0.2 A 12 GLU CA C 13 60.6 0.2 A 12 GLU CB C 13 29.6 0.2 A 12 GLU CG C 13 37.1 0.2 A 12 GLU N N 15 117.4 0.2 A 13 LEU H H 1 7.91 0.02 A 13 LEU HA H 1 4.04 0.02 A 13 LEU HBx H 1 1.72 0.02 A 13 LEU HBy H 1 1.72 0.02 A 13 LEU HDx% H 1 0.90 0.02 A 13 LEU HDy% H 1 0.90 0.02 A 13 LEU C C 13 178.6 0.2 A 13 LEU CA C 13 58.1 0.2 A 13 LEU CB C 13 41.9 0.2 A 13 LEU CDx C 13 24.2 0.2 A 13 LEU CDy C 13 24.2 0.2 A 13 LEU N N 15 119.1 0.2 A 14 LEU H H 1 7.64 0.02 A 14 LEU HA H 1 4.03 0.02 A 14 LEU HBy H 1 1.88 0.02 A 14 LEU HBx H 1 1.44 0.02 A 14 LEU CA C 13 58.0 0.2 A 14 LEU CB C 13 42.4 0.2 A 14 LEU N N 15 118.7 0.2 A 15 ILE HA H 1 3.81 0.02 A 15 ILE HB H 1 1.89 0.02 A 15 ILE HD1% H 1 0.64 0.2 A 15 ILE HG2% H 1 0.92 0.2 A 15 ILE C C 13 177.4 0.2 A 15 ILE CA C 13 64.5 0.2 A 15 ILE CB C 13 37.0 0.2 A 15 ILE CD1 C 13 12.5 0.2 A 15 ILE CG2 C 13 19.1 0.2 A 16 ARG H H 1 8.75 0.02 A 16 ARG HA H 1 3.87 0.02 A 16 ARG HBx H 1 1.93 0.02 A 16 ARG HBy H 1 1.93 0.02 A 16 ARG HDy H 1 3.37 0.02 A 16 ARG HDx H 1 3.20 0.02 A 16 ARG HGx H 1 1.77 0.02 A 16 ARG HGy H 1 1.77 0.02 A 16 ARG CA C 13 58.5 0.2 A 16 ARG CB C 13 28.6 0.2 A 16 ARG CD C 13 42.4 0.2 A 16 ARG CG C 13 26.9 0.2 A 16 ARG N N 15 121.8 0.2 A 17 ASN H H 1 8.16 0.02 A 17 ASN HA H 1 4.37 0.02 A 17 ASN HBy H 1 2.85 0.02 A 17 ASN HBx H 1 2.73 0.02 A 17 ASN HD2y H 1 7.67 0.02 A 17 ASN HD2x H 1 6.76 0.02 A 17 ASN C C 13 176.6 0.2 A 17 ASN CA C 13 55.3 0.2 A 17 ASN CB C 13 38.1 0.2 A 17 ASN N N 15 115.0 0.2 A 17 ASN ND2 N 15 111.2 0.2 A 18 ALA H H 1 7.11 0.02 A 18 ALA HA H 1 4.14 0.02 A 18 ALA HB% H 1 1.26 0.02 A 18 ALA C C 13 176.7 0.2 A 18 ALA CA C 13 53.1 0.2 A 18 ALA CB C 13 21.0 0.2 A 18 ALA N N 15 119.7 0.2 A 19 PHE H H 1 8.05 0.02 A 19 PHE HA H 1 4.77 0.02 A 19 PHE HBy H 1 2.92 0.02 A 19 PHE HBx H 1 2.78 0.02 A 19 PHE HDx H 1 7.27 0.02 A 19 PHE HDy H 1 7.27 0.02 A 19 PHE HEx H 1 6.84 0.02 A 19 PHE HEy H 1 6.84 0.02 A 19 PHE HZ H 1 7.01 0.02 A 19 PHE CA C 13 55.4 0.2 A 19 PHE CB C 13 39.0 0.2 A 19 PHE CDx C 13 132.8 0.2 A 19 PHE CDy C 13 132.8 0.2 A 19 PHE CEx C 13 130.3 0.2 A 19 PHE CEy C 13 130.3 0.2 A 19 PHE CZ C 13 128.3 0.2 A 19 PHE N N 15 117.2 0.2 A 20 PRO HA H 1 4.60 0.02 A 20 PRO HBy H 1 2.40 0.02 A 20 PRO HBx H 1 1.97 0.02 A 20 PRO HDy H 1 3.49 0.02 A 20 PRO HDx H 1 3.25 0.02 A 20 PRO HGx H 1 1.97 0.02 A 20 PRO HGy H 1 1.97 0.02 A 20 PRO C C 13 178.6 0.2 A 20 PRO CA C 13 65.2 0.2 A 20 PRO CB C 13 32.2 0.2 A 20 PRO CD C 13 50.0 0.2 A 20 PRO CG C 13 27.5 0.2 A 21 GLU H H 1 8.28 0.02 A 21 GLU HA H 1 4.58 0.02 A 21 GLU HBx H 1 2.29 0.02 A 21 GLU HBy H 1 2.29 0.02 A 21 GLU C C 13 175.9 0.2 A 21 GLU CA C 13 55.1 0.2 A 21 GLU CB C 13 29.7 0.2 A 21 GLU N N 15 116.2 0.2 A 22 ALA H H 1 7.43 0.02 A 22 ALA HA H 1 4.60 0.02 A 22 ALA HB% H 1 1.40 0.02 A 22 ALA C C 13 177.8 0.2 A 22 ALA CA C 13 52.3 0.2 A 22 ALA CB C 13 22.4 0.2 A 22 ALA N N 15 123.2 0.2 A 23 GLU H H 1 8.53 0.02 A 23 GLU HA H 1 4.63 0.02 A 23 GLU HBy H 1 2.00 0.02 A 23 GLU HBx H 1 1.94 0.02 A 23 GLU HGy H 1 2.25 0.02 A 23 GLU HGx H 1 2.17 0.02 A 23 GLU C C 13 176.0 0.2 A 23 GLU CA C 13 54.8 0.2 A 23 GLU CB C 13 29.9 0.2 A 23 GLU CG C 13 35.7 0.2 A 23 GLU N N 15 120.4 0.2 A 24 ILE H H 1 8.73 0.02 A 24 ILE HA H 1 5.01 0.02 A 24 ILE HB H 1 1.61 0.02 A 24 ILE HD1% H 1 0.92 0.02 A 24 ILE HG2% H 1 0.77 0.02 A 24 ILE C C 13 175.4 0.2 A 24 ILE CA C 13 60.1 0.2 A 24 ILE CB C 13 42.0 0.2 A 24 ILE CD1 C 13 14.5 0.2 A 24 ILE CG2 C 13 17.6 0.2 A 24 ILE N N 15 127.9 0.2 A 25 THR H H 1 9.09 0.02 A 25 THR HA H 1 4.57 0.02 A 25 THR HB H 1 3.93 0.02 A 25 THR HG2% H 1 1.16 0.02 A 25 THR C C 13 173.4 0.2 A 25 THR CA C 13 61.9 0.2 A 25 THR CB C 13 71.1 0.2 A 25 THR CG2 C 13 21.4 0.2 A 25 THR N N 15 122.9 0.2 A 26 VAL H H 1 9.38 0.02 A 26 VAL HB H 1 2.09 0.02 A 26 VAL HGx% H 1 0.77 0.02 A 26 VAL HGy% H 1 0.77 0.02 A 26 VAL C C 13 174.5 0.2 A 26 VAL CA C 13 61.5 0.2 A 26 VAL CB C 13 33.4 0.2 A 26 VAL CGx C 13 21.2 0.2 A 26 VAL CGy C 13 21.2 0.2 A 26 VAL N N 15 129.8 0.2 A 27 THR H H 1 9.05 0.02 A 27 THR HA H 1 4.79 0.02 A 27 THR HB H 1 4.07 0.02 A 27 THR HG2% H 1 1.20 0.02 A 27 THR C C 13 173.7 0.2 A 27 THR CA C 13 60.8 0.2 A 27 THR CB C 13 71.2 0.2 A 27 THR CG2 C 13 21.5 0.2 A 27 THR N N 15 121.3 0.2 A 28 SER H H 1 8.96 0.02 A 28 SER HA H 1 4.61 0.02 A 28 SER HBy H 1 3.87 0.02 A 28 SER HBx H 1 3.83 0.02 A 28 SER C C 13 174.2 0.2 A 28 SER CA C 13 57.9 0.2 A 28 SER CB C 13 63.8 0.2 A 28 SER N N 15 120.8 0.2 A 29 LEU H H 1 8.07 0.02 A 29 LEU HA H 1 4.43 0.02 A 29 LEU HDx% H 1 0.76 0.02 A 29 LEU HDy% H 1 0.76 0.02 A 29 LEU C C 13 174.2 0.2 A 29 LEU CA C 13 54.5 0.2 A 29 LEU CDx C 13 22.8 0.2 A 29 LEU CDy C 13 22.8 0.2 A 29 LEU N N 15 126.5 0.2 A 30 VAL H H 1 8.20 0.02 A 30 VAL HA H 1 3.98 0.02 A 30 VAL HB H 1 2.01 0.02 A 30 VAL HGx% H 1 0.89 0.02 A 30 VAL HGy% H 1 0.89 0.02 A 30 VAL C C 13 176.5 0.2 A 30 VAL CA C 13 63.0 0.2 A 30 VAL CB C 13 32.4 0.2 A 30 VAL CGx C 13 20.9 0.2 A 30 VAL CGy C 13 20.9 0.2 A 30 VAL N N 15 120.0 0.2 A 31 GLY H H 1 8.50 0.02 A 31 GLY HAy H 1 4.14 0.02 A 31 GLY HAx H 1 3.76 0.02 A 31 GLY C C 13 173.7 0.2 A 31 GLY CA C 13 45.3 0.2 A 31 GLY N N 15 113.3 0.2 A 32 ASP H H 1 7.97 0.02 A 32 ASP HA H 1 4.65 0.2 A 32 ASP HBx H 1 2.54 0.02 A 32 ASP HBy H 1 2.54 0.02 A 32 ASP C C 13 175.5 0.2 A 32 ASP CA C 13 53.7 0.2 A 32 ASP CB C 13 41.6 0.2 A 32 ASP N N 15 120.0 0.2 A 33 ASN H H 1 8.46 0.02 A 33 ASN HA H 1 4.70 0.02 A 33 ASN HBy H 1 2.84 0.02 A 33 ASN HBx H 1 2.68 0.02 A 33 ASN HD2y H 1 7.55 0.02 A 33 ASN HD2x H 1 6.89 0.02 A 33 ASN C C 13 174.8 0.2 A 33 ASN CA C 13 53.7 0.2 A 33 ASN CB C 13 38.6 0.2 A 33 ASN N N 15 117.4 0.2 A 33 ASN ND2 N 15 112.7 0.2 A 34 ASN H H 1 8.53 0.02 A 34 ASN HA H 1 4.65 0.02 A 34 ASN HBx H 1 2.84 0.02 A 34 ASN HBy H 1 2.84 0.02 A 34 ASN C C 13 173.6 0.2 A 34 ASN CA C 13 53.5 0.2 A 34 ASN CB C 13 38.9 0.2 A 34 ASN N N 15 116.1 0.2 A 35 HIS H H 1 8.05 0.02 A 35 HIS N N 15 118.5 0.2 A 36 TYR HA H 1 5.37 0.02 A 36 TYR HBy H 1 2.82 0.02 A 36 TYR HBx H 1 2.37 0.02 A 36 TYR HDx H 1 6.79 0.02 A 36 TYR HDy H 1 6.79 0.02 A 36 TYR HEx H 1 6.65 0.02 A 36 TYR HEy H 1 6.65 0.02 A 36 TYR C C 13 174.8 0.2 A 36 TYR CA C 13 57.4 0.2 A 36 TYR CB C 13 43.2 0.2 A 36 TYR CDx C 13 133.1 0.2 A 36 TYR CDy C 13 133.1 0.2 A 36 TYR CEx C 13 117.8 0.2 A 36 TYR CEy C 13 117.8 0.2 A 37 SER H H 1 9.13 0.02 A 37 SER HA H 1 5.39 0.02 A 37 SER HBx H 1 3.76 0.02 A 37 SER HBy H 1 3.76 0.02 A 37 SER CA C 13 55.9 0.2 A 37 SER CB C 13 64.3 0.2 A 37 SER N N 15 115.5 0.2 A 39 LYS HA H 1 5.63 0.02 A 39 LYS HBy H 1 1.77 0.02 A 39 LYS HBx H 1 1.58 0.02 A 39 LYS HDy H 1 1.56 0.02 A 39 LYS HDx H 1 1.52 0.02 A 39 LYS HEx H 1 2.76 0.02 A 39 LYS HEy H 1 2.76 0.02 A 39 LYS HGx H 1 1.08 0.02 A 39 LYS HGy H 1 1.08 0.02 A 39 LYS C C 13 175.2 0.2 A 39 LYS CA C 13 54.2 0.2 A 39 LYS CB C 13 34.9 0.2 A 39 LYS CD C 13 29.6 0.2 A 39 LYS CE C 13 41.7 0.2 A 39 LYS CG C 13 24.9 0.2 A 40 VAL H H 1 8.41 0.02 A 40 VAL HA H 1 4.67 0.02 A 40 VAL HB H 1 1.78 0.02 A 40 VAL HGx% H 1 0.64 0.02 A 40 VAL HGy% H 1 0.205 0.02 A 40 VAL C C 13 173.4 0.2 A 40 VAL CA C 13 61.4 . A 40 VAL CB C 13 35.3 0.2 A 40 VAL CGy C 13 21.5 0.2 A 40 VAL CGx C 13 20.9 0.2 A 40 VAL N N 15 124.8 0.2 A 41 ILE H H 1 8.71 0.02 A 41 ILE HA H 1 5.07 0.02 A 41 ILE HB H 1 2.05 0.02 A 41 ILE HD1% H 1 0.59 0.02 A 41 ILE HG1y H 1 1.34 0.02 A 41 ILE HG1x H 1 1.19 0.02 A 41 ILE HG2% H 1 0.64 0.02 A 41 ILE CA C 13 57.5 0.2 A 41 ILE CB C 13 37.1 0.2 A 41 ILE CD1 C 13 9.5 0.2 A 41 ILE CG1 C 13 26.0 0.2 A 41 ILE CG2 C 13 16.8 0.2 A 41 ILE N N 15 127.7 0.2 A 42 SER H H 1 8.43 0.02 A 42 SER HA H 1 5.03 0.02 A 42 SER HBy H 1 3.33 0.02 A 42 SER HBx H 1 2.42 0.02 A 42 SER C C 13 175.8 0.2 A 42 SER CA C 13 56.0 0.2 A 42 SER CB C 13 65.4 0.2 A 42 SER N N 15 116.7 0.2 A 43 SER H H 1 9.68 0.02 A 43 SER HA H 1 4.67 0.02 A 43 SER HBx H 1 4.02 0.02 A 43 SER HBy H 1 4.02 0.02 A 43 SER C C 13 177.1 0.2 A 43 SER CA C 13 61.1 0.2 A 43 SER CB C 13 62.7 0.2 A 43 SER N N 15 127.6 0.2 A 44 GLN H H 1 8.86 0.02 A 44 GLN HA H 1 4.16 0.02 A 44 GLN HBx H 1 1.51 0.02 A 44 GLN HBy H 1 1.51 0.02 A 44 GLN HE2y H 1 7.85 0.02 A 44 GLN HE2x H 1 6.71 0.02 A 44 GLN HGy H 1 2.36 0.02 A 44 GLN HGx H 1 2.23 0.02 A 44 GLN C C 13 176.4 0.2 A 44 GLN CA C 13 58.1 0.2 A 44 GLN CB C 13 29.0 0.2 A 44 GLN CG C 13 35.0 0.2 A 44 GLN N N 15 121.3 0.2 A 44 GLN NE2 N 15 114.3 0.2 A 45 PHE H H 1 7.12 0.02 A 45 PHE HBy H 1 3.36 0.02 A 45 PHE HBx H 1 3.17 0.02 A 45 PHE HDx H 1 7.42 0.02 A 45 PHE HDy H 1 7.42 0.02 A 45 PHE HEx H 1 7.44 0.02 A 45 PHE HEy H 1 7.44 0.02 A 45 PHE HZ H 1 6.58 0.02 A 45 PHE C C 13 175.9 0.2 A 45 PHE CA C 13 54.4 0.2 A 45 PHE CB C 13 37.8 0.2 A 45 PHE CDx C 13 129.9 0.2 A 45 PHE CDy C 13 129.9 0.2 A 45 PHE CEx C 13 132.0 0.2 A 45 PHE CEy C 13 132.0 0.2 A 45 PHE CZ C 13 129.5 0.2 A 45 PHE N N 15 114.3 0.2 A 46 GLN H H 1 7.43 0.02 A 46 GLN HA H 1 4.23 0.02 A 46 GLN HBx H 1 2.19 0.02 A 46 GLN HBy H 1 2.19 0.02 A 46 GLN HGy H 1 2.58 0.02 A 46 GLN HGx H 1 2.54 0.02 A 46 GLN C C 13 177.2 0.2 A 46 GLN CA C 13 57.9 0.2 A 46 GLN CB C 13 28.4 0.2 A 46 GLN CG C 13 33.5 0.2 A 46 GLN N N 15 121.3 0.2 A 47 GLY H H 1 9.05 0.02 A 47 GLY HAy H 1 4.16 0.02 A 47 GLY HAx H 1 3.79 0.02 A 47 GLY C C 13 173.8 0.2 A 47 GLY CA C 13 45.8 0.2 A 47 GLY N N 15 113.8 0.2 A 48 LYS H H 1 7.68 0.02 A 48 LYS HBy H 1 1.98 0.02 A 48 LYS HBx H 1 1.82 0.02 A 48 LYS HDx H 1 1.71 0.02 A 48 LYS HDy H 1 1.71 0.02 A 48 LYS HEx H 1 3.17 0.02 A 48 LYS HEy H 1 3.17 0.02 A 48 LYS HGy H 1 1.56 0.02 A 48 LYS HGx H 1 1.44 0.02 A 48 LYS C C 13 177.0 0.2 A 48 LYS CB C 13 34.6 0.2 A 48 LYS CD C 13 29.1 0.2 A 48 LYS CE C 13 42.8 0.2 A 48 LYS CG C 13 25.4 0.2 A 48 LYS N N 15 118.6 0.2 A 49 SER H H 1 9.35 0.02 A 49 SER HA H 1 4.40 0.02 A 49 SER HBy H 1 4.32 0.02 A 49 SER HBx H 1 4.07 0.02 A 49 SER C C 13 174.5 0.2 A 49 SER CA C 13 57.3 0.2 A 49 SER CB C 13 64.7 0.2 A 49 SER N N 15 121.3 0.2 A 50 LYS H H 1 8.89 0.02 A 50 LYS HA H 1 3.47 0.02 A 50 LYS HBy H 1 1.81 0.02 A 50 LYS HBx H 1 1.55 0.02 A 50 LYS HDy H 1 1.61 0.02 A 50 LYS HDx H 1 1.55 0.02 A 50 LYS HEx H 1 2.92 0.02 A 50 LYS HEy H 1 2.92 0.02 A 50 LYS HGy H 1 1.26 0.02 A 50 LYS HGx H 1 0.94 0.02 A 50 LYS C C 13 177.7 0.2 A 50 LYS CA C 13 59.9 0.2 A 50 LYS CB C 13 31.2 0.2 A 50 LYS CD C 13 28.6 0.2 A 50 LYS CE C 13 41.7 0.2 A 50 LYS CG C 13 24.0 0.2 A 50 LYS N N 15 122.4 0.2 A 51 LEU H H 1 7.98 0.02 A 51 LEU HA H 1 3.93 0.02 A 51 LEU HBx H 1 1.54 0.02 A 51 LEU HBy H 1 1.54 0.02 A 51 LEU HDx% H 1 0.86 0.02 A 51 LEU HDy% H 1 0.86 0.02 A 51 LEU CA C 13 58.0 0.2 A 51 LEU CB C 13 41.9 0.2 A 51 LEU CDx C 13 24.3 0.2 A 51 LEU CDy C 13 24.3 0.2 A 51 LEU N N 15 117.2 0.2 A 52 GLU H H 1 7.65 0.02 A 52 GLU HA H 1 3.96 0.02 A 52 GLU HBy H 1 2.32 0.02 A 52 GLU HBx H 1 1.98 0.02 A 52 GLU HGy H 1 2.39 0.02 A 52 GLU HGx H 1 2.31 0.02 A 52 GLU CA C 13 59.1 0.2 A 52 GLU CB C 13 30.1 0.2 A 52 GLU CG C 13 37.0 0.2 A 52 GLU N N 15 119.1 0.2 A 53 GLN H H 1 8.42 0.02 A 53 GLN HA H 1 3.82 0.02 A 53 GLN HBy H 1 1.99 0.02 A 53 GLN HBx H 1 0.89 0.02 A 53 GLN HGy H 1 2.62 0.02 A 53 GLN HGx H 1 1.74 0.02 A 53 GLN C C 13 177.9 0.2 A 53 GLN CA C 13 58.6 0.2 A 53 GLN CB C 13 27.2 0.2 A 53 GLN CG C 13 33.2 0.2 A 53 GLN N N 15 119.2 0.2 A 54 HIS H H 1 8.36 0.02 A 54 HIS HA H 1 3.91 0.02 A 54 HIS HBy H 1 3.17 0.02 A 54 HIS HBx H 1 2.91 0.02 A 54 HIS HE1 H 1 7.67 0.02 A 54 HIS CA C 13 59.7 0.2 A 54 HIS CB C 13 30.2 0.2 A 54 HIS CE1 C 13 137.8 0.2 A 54 HIS N N 15 116.9 0.2 A 55 ARG H H 1 8.42 0.02 A 55 ARG HA H 1 4.12 0.02 A 55 ARG HBx H 1 2.03 0.02 A 55 ARG HBy H 1 2.03 0.02 A 55 ARG HDx H 1 3.22 0.02 A 55 ARG HDy H 1 3.22 0.02 A 55 ARG HGy H 1 1.95 0.02 A 55 ARG HGx H 1 1.77 0.02 A 55 ARG C C 13 179.0 0.2 A 55 ARG CA C 13 60.2 0.2 A 55 ARG CB C 13 30.0 0.2 A 55 ARG CD C 13 43.6 0.2 A 55 ARG CG C 13 27.8 0.2 A 55 ARG N N 15 119.2 0.2 A 56 MET H H 1 7.93 0.02 A 56 MET HA H 1 4.13 0.02 A 56 MET HBy H 1 2.79 0.02 A 56 MET HBx H 1 2.58 0.02 A 56 MET HE% H 1 2.23 0.02 A 56 MET HGy H 1 3.11 0.02 A 56 MET HGx H 1 2.77 0.02 A 56 MET C C 13 178.7 0.2 A 56 MET CA C 13 59.8 0.2 A 56 MET CB C 13 34.2 0.2 A 56 MET CE C 13 16.6 0.2 A 56 MET CG C 13 32.4 0.2 A 56 MET N N 15 117.8 0.2 A 57 ILE H H 1 7.44 0.02 A 57 ILE HA H 1 4.00 0.02 A 57 ILE HB H 1 2.04 0.02 A 57 ILE HD1% H 1 0.36 0.02 A 57 ILE HG1y H 1 1.51 0.02 A 57 ILE HG1x H 1 1.23 0.02 A 57 ILE HG2% H 1 0.63 0.02 A 57 ILE C C 13 177.8 0.2 A 57 ILE CA C 13 62.6 0.2 A 57 ILE CB C 13 35.6 0.2 A 57 ILE CD1 C 13 13.5 0.2 A 57 ILE CG1 C 13 27.7 0.2 A 57 ILE CG2 C 13 17.4 0.2 A 57 ILE N N 15 118.2 0.2 A 58 TYR H H 1 8.81 0.02 A 58 TYR HA H 1 4.14 0.02 A 58 TYR HBy H 1 3.19 0.02 A 58 TYR HBx H 1 2.97 0.02 A 58 TYR HDx H 1 7.06 0.02 A 58 TYR HDy H 1 7.06 0.02 A 58 TYR HEx H 1 6.78 0.02 A 58 TYR HEy H 1 6.78 0.02 A 58 TYR C C 13 178.8 0.2 A 58 TYR CA C 13 61.8 0.2 A 58 TYR CB C 13 37.0 0.2 A 58 TYR CDx C 13 132.4 0.2 A 58 TYR CDy C 13 132.4 0.2 A 58 TYR CEx C 13 118.3 0.2 A 58 TYR CEy C 13 118.3 0.2 A 58 TYR N N 15 119.5 0.2 A 59 LYS H H 1 8.03 0.02 A 59 LYS HA H 1 4.20 0.02 A 59 LYS HBx H 1 2.00 0.02 A 59 LYS HBy H 1 2.00 0.02 A 59 LYS HDy H 1 1.80 0.02 A 59 LYS HDx H 1 1.74 0.02 A 59 LYS HEx H 1 3.02 0.02 A 59 LYS HEy H 1 3.02 0.02 A 59 LYS HGy H 1 1.59 0.02 A 59 LYS HGx H 1 1.54 0.02 A 59 LYS C C 13 179.0 0.2 A 59 LYS CA C 13 59.2 0.2 A 59 LYS CB C 13 32.1 0.2 A 59 LYS CD C 13 29.0 0.2 A 59 LYS CG C 13 24.8 0.2 A 59 LYS N N 15 117.9 0.2 A 60 VAL H H 1 7.30 0.02 A 60 VAL HA H 1 3.88 0.02 A 60 VAL HB H 1 2.38 0.02 A 60 VAL HGx% H 1 1.18 0.02 A 60 VAL HGy% H 1 0.94 0.02 A 60 VAL C C 13 176.6 0.2 A 60 VAL CA C 13 64.6 0.2 A 60 VAL CB C 13 31.9 0.2 A 60 VAL CGy C 13 22.7 0.2 A 60 VAL CGx C 13 22.1 0.2 A 60 VAL N N 15 117.9 0.2 A 61 LEU H H 1 7.41 0.02 A 61 LEU HA H 1 4.22 0.02 A 61 LEU HBy H 1 1.76 0.02 A 61 LEU HBx H 1 1.69 0.02 A 61 LEU HDx% H 1 0.61 0.02 A 61 LEU HDy% H 1 0.61 0.02 A 61 LEU HG H 1 1.85 0.02 A 61 LEU CA C 13 54.1 0.2 A 61 LEU CB C 13 41.1 0.2 A 61 LEU CDx C 13 22.5 0.2 A 61 LEU CDy C 13 22.5 0.2 A 61 LEU CG C 13 25.9 0.2 A 61 LEU N N 15 116.2 0.2 A 62 ASP H H 1 7.32 0.02 A 62 ASP HA H 1 4.39 0.02 A 62 ASP HBy H 1 2.87 0.02 A 62 ASP HBx H 1 2.64 0.02 A 62 ASP C C 13 177.2 0.2 A 62 ASP CA C 13 56.8 0.2 A 62 ASP CB C 13 41.5 0.2 A 62 ASP N N 15 120.2 0.2 A 63 GLY H H 1 8.71 0.02 A 63 GLY HAy H 1 4.25 0.02 A 63 GLY HAx H 1 3.77 0.02 A 63 GLY CA C 13 45.3 0.2 A 63 GLY N N 15 113.0 0.2 A 64 LEU H H 1 7.86 0.02 A 64 LEU HA H 1 4.59 0.02 A 64 LEU HBx H 1 1.86 0.02 A 64 LEU HBy H 1 1.86 0.02 A 64 LEU CA C 13 54.2 0.2 A 64 LEU CB C 13 42.8 0.2 A 64 LEU N N 15 119.2 0.2 A 70 GLN C C 13 174.2 0.2 A 70 GLN CA C 13 54.9 0.2 A 70 GLN CB C 13 31.0 0.2 A 70 GLN CG C 13 34.0 0.2 A 71 ILE H H 1 8.58 0.02 A 71 ILE HA H 1 4.71 0.02 A 71 ILE HB H 1 1.22 0.02 A 71 ILE HD1% H 1 0.56 0.02 A 71 ILE HG1y H 1 1.25 0.02 A 71 ILE HG1x H 1 0.57 0.02 A 71 ILE HG2% H 1 0.20 0.02 A 71 ILE C C 13 174.4 0.2 A 71 ILE CA C 13 60.2 0.2 A 71 ILE CB C 13 41.0 0.2 A 71 ILE CD1 C 13 11.3 0.2 A 71 ILE CG1 C 13 27.8 0.2 A 71 ILE CG2 C 13 18.0 0.2 A 71 ILE N N 15 124.8 0.2 A 72 GLN H H 1 8.67 0.02 A 72 GLN HA H 1 4.79 0.02 A 72 GLN HBy H 1 1.95 0.02 A 72 GLN HBx H 1 1.89 0.02 A 72 GLN HE2y H 1 7.45 0.02 A 72 GLN HE2x H 1 6.86 0.02 A 72 GLN HGy H 1 2.38 0.02 A 72 GLN HGx H 1 2.21 0.02 A 72 GLN C C 13 173.9 0.2 A 72 GLN CA C 13 54.8 0.2 A 72 GLN CB C 13 31.9 0.2 A 72 GLN CG C 13 33.8 0.2 A 72 GLN N N 15 126.2 0.2 A 72 GLN NE2 N 15 110.3 0.2 A 73 THR H H 1 8.72 0.02 A 73 THR HA H 1 5.51 0.02 A 73 THR HB H 1 3.61 0.02 A 73 THR HG2% H 1 0.60 0.02 A 73 THR C C 13 175.1 0.2 A 73 THR CA C 13 59.0 0.2 A 73 THR CB C 13 71.0 0.2 A 73 THR CG2 C 13 23.0 0.2 A 73 THR N N 15 114.8 0.2 A 74 GLY H H 1 7.99 0.02 A 74 GLY HAy H 1 4.33 0.02 A 74 GLY HAx H 1 4.14 0.02 A 74 GLY C C 13 171.2 0.2 A 74 GLY CA C 13 44.9 0.2 A 74 GLY N N 15 106.0 0.2 A 75 CYS H H 1 8.79 0.02 A 75 CYS HA H 1 5.10 0.02 A 75 CYS HBx H 1 2.92 0.02 A 75 CYS HBy H 1 2.92 0.02 A 75 CYS C C 13 173.8 0.2 A 75 CYS CA C 13 57.6 0.2 A 75 CYS CB C 13 29.8 0.2 A 75 CYS N N 15 117.7 0.2 A 76 LYS H H 1 7.28 0.02 A 76 LYS HA H 1 4.06 0.02 A 76 LYS HBx H 1 1.73 0.02 A 76 LYS HBy H 1 1.73 0.02 A 76 LYS HDx H 1 0.65 0.02 A 76 LYS HDy H 1 0.65 0.02 A 76 LYS HGx H 1 1.25 0.02 A 76 LYS HGy H 1 1.25 0.02 A 76 LYS CA C 13 57.7 0.2 A 76 LYS CB C 13 33.8 0.2 A 76 LYS CD C 13 26.0 0.2 A 76 LYS CG C 13 24.8 0.2 A 76 LYS N N 15 125.9 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 9 SER HA A 12 GLU HBy 1.0 1.8 4.32 2 2 A 20 PRO HA A 16 ARG HGx 1.0 1.8 5.55 3 3 A 25 THR HB A 39 LYS HBy 1.0 1.8 4.00 4 4 A 39 LYS HA A 40 VAL HB 1.0 1.8 4.81 5 5 A 44 GLN HA A 44 GLN HGy 1.0 1.8 3.94 6 6 A 51 LEU HA A 54 HIS HE1 1.0 1.8 4.63 7 7 A 52 GLU HA A 55 ARG HDx 1.0 1.8 5.55 8 8 A 52 GLU HA A 55 ARG HBx 1.0 1.8 3.19 9 9 A 45 PHE HEx A 53 GLN HA 1.0 1.8 3.89 10 10 A 54 HIS HA A 57 ILE HB 1.0 1.8 3.94 11 11 A 55 ARG HA A 58 TYR HDy 1.0 1.8 3.91 12 12 A 55 ARG HA A 55 ARG HDx 1.0 1.8 5.48 13 13 A 76 LYS HA A 76 LYS HDx 1.0 1.8 5.55 14 14 A 13 LEU HA A 16 ARG HBx 1.0 1.8 4.41 15 15 A 14 LEU HA A 17 ASN HBy 1.0 1.8 4.93 16 16 A 11 LEU HA A 14 LEU HBy 1.0 1.8 4.49 17 17 A 36 TYR HA A 36 TYR HDx 1.0 1.8 3.80 18 18 A 36 TYR HBy A 36 TYR HDy 1.0 1.8 3.48 19 19 A 36 TYR HDx A 28 SER HA 1.0 1.8 3.87 20 20 A 58 TYR HA A 58 TYR HDx 1.0 1.8 3.27 21 21 A 58 TYR HA A 58 TYR HEx 1.0 1.8 4.70 22 22 A 19 PHE HA A 19 PHE HDy 1.0 1.8 4.30 23 23 A 40 VAL HB A 45 PHE HEy 1.0 1.8 4.28 24 24 A 54 HIS HE1 A 50 LYS HEx 1.0 1.8 5.55 25 25 A 19 PHE HA A 20 PRO HDy 1.0 1.8 3.81 26 26 A 5 THR HA A 6 VAL H 1.0 1.8 3.47 27 27 A 5 THR HA A 5 THR HG2% 1.0 1.8 3.74 28 28 A 5 THR HA A 6 VAL HGx% 1.0 1.8 5.55 29 29 A 5 THR HA A 6 VAL HGy% 1.0 1.8 5.55 30 30 A 6 VAL H A 5 THR HG2% 1.0 1.8 4.20 31 31 A 6 VAL HB A 7 THR H 1.0 1.8 4.75 32 32 A 7 THR HA A 7 THR HG2% 1.0 1.8 3.93 33 33 A 9 SER HA A 12 GLU HBy 1.0 1.8 4.32 34 34 A 9 SER HA A 12 GLU HBx 1.0 1.8 4.32 35 35 A 10 GLN HA A 13 LEU HBy 1.0 1.8 3.57 36 36 A 10 GLN HA A 13 LEU HDy% 1.0 1.8 4.21 37 37 A 13 LEU HDy% A 10 GLN HBx 1.0 1.8 5.42 38 38 A 13 LEU HDy% A 10 GLN HBy 1.0 1.8 5.42 39 39 A 16 ARG HA A 19 PHE H 1.0 1.8 4.46 40 40 A 16 ARG HA A 24 ILE HD1% 1.0 1.8 3.31 41 41 A 24 ILE HD1% A 16 ARG HDy 1.0 1.8 4.60 42 42 A 24 ILE HD1% A 16 ARG HDx 1.0 1.8 4.60 43 43 A 17 ASN H A 17 ASN HBy 1.0 1.8 3.88 44 44 A 17 ASN H A 17 ASN HBx 1.0 1.8 3.88 45 45 A 14 LEU HA A 17 ASN HBx 1.0 1.8 4.93 46 46 A 18 ALA HB% A 19 PHE HDx 1.0 1.8 3.87 47 47 A 18 ALA HB% A 15 ILE HA 1.0 1.8 4.07 48 48 A 15 ILE HG2% A 19 PHE HBx 1.0 1.8 4.69 49 49 A 15 ILE HG2% A 19 PHE HBy 1.0 1.8 4.69 50 50 A 20 PRO HA A 16 ARG HGx 1.0 1.8 5.55 51 51 A 20 PRO HA A 16 ARG HGy 1.0 1.8 5.55 52 52 A 22 ALA HB% A 19 PHE HBy 1.0 1.8 4.02 53 53 A 22 ALA HB% A 19 PHE HBx 1.0 1.8 4.02 54 54 A 15 ILE HG2% A 22 ALA HB% 1.0 1.8 3.90 55 55 A 22 ALA HB% A 40 VAL HGx% 1.0 1.8 3.46 56 56 A 23 GLU H A 23 GLU HBx 1.0 1.8 4.06 57 57 A 24 ILE HD1% A 24 ILE HB 1.0 1.8 3.46 58 58 A 24 ILE HD1% A 16 ARG H 1.0 1.8 4.51 59 59 A 24 ILE HD1% A 24 ILE H 1.0 1.8 4.81 60 60 A 24 ILE HD1% A 16 ARG HGx 1.0 1.8 5.24 61 61 A 24 ILE HD1% A 16 ARG HGy 1.0 1.8 5.24 62 62 A 24 ILE HD1% A 15 ILE HG2% 1.0 1.8 2.91 63 63 A 24 ILE HD1% A 24 ILE HG2% 1.0 1.8 3.19 64 64 A 24 ILE HG2% A 25 THR H 1.0 1.8 4.40 65 65 A 24 ILE H A 24 ILE HG2% 1.0 1.8 4.57 66 66 A 24 ILE HG2% A 15 ILE HB 1.0 1.8 4.21 67 67 A 25 THR HA A 25 THR HG2% 1.0 1.8 3.67 68 68 A 24 ILE HG2% A 25 THR HA 1.0 1.8 4.86 69 69 A 27 THR H A 27 THR HB 1.0 1.8 4.06 70 70 A 25 THR HB A 39 LYS HBy 1.0 1.8 4.00 71 71 A 25 THR HB A 39 LYS HBx 1.0 1.8 4.00 72 72 A 29 LEU HA A 29 LEU HDx% 1.0 1.8 4.38 73 73 A 29 LEU HA A 29 LEU HDy% 1.0 1.8 4.38 74 74 A 36 TYR HBy A 37 SER H 1.0 1.8 4.62 75 75 A 36 TYR HA A 29 LEU H 1.0 1.8 4.46 76 76 A 39 LYS HA A 40 VAL HB 1.0 1.8 4.81 77 77 A 41 ILE HA A 41 ILE HG2% 1.0 1.8 3.83 78 78 A 41 ILE HG2% A 41 ILE H 1.0 1.8 4.66 79 79 A 41 ILE H A 41 ILE HG1y 1.0 1.8 4.59 80 80 A 41 ILE HG2% A 41 ILE HG1y 1.0 1.8 3.78 81 81 A 41 ILE HG2% A 41 ILE HG1x 1.0 1.8 3.78 82 82 A 41 ILE HD1% A 42 SER H 1.0 1.8 4.80 83 83 A 41 ILE HD1% A 74 GLY H 1.0 1.8 4.53 84 84 A 41 ILE HD1% A 39 LYS HEx 1.0 1.8 5.29 85 85 A 41 ILE HD1% A 39 LYS HEy 1.0 1.8 5.29 86 86 A 44 GLN HA A 44 GLN HGx 1.0 1.8 3.94 87 87 A 44 GLN HA A 46 GLN H 1.0 1.8 4.67 88 88 A 44 GLN HA A 44 GLN HGy 1.0 1.8 3.94 89 89 A 30 VAL HA A 30 VAL HGx% 1.0 1.8 4.11 90 90 A 30 VAL HA A 30 VAL HGy% 1.0 1.8 4.11 91 91 A 30 VAL H A 30 VAL HB 1.0 1.8 4.07 92 92 A 46 GLN H A 46 GLN HGx 1.0 1.8 4.79 93 93 A 51 LEU HA A 54 HIS HE1 1.0 1.8 4.63 94 94 A 51 LEU HA A 51 LEU HDx% 1.0 1.8 4.89 95 95 A 51 LEU HA A 51 LEU HDy% 1.0 1.8 4.89 96 96 A 52 GLU HA A 55 ARG HDx 1.0 1.8 5.55 97 97 A 52 GLU HA A 55 ARG HDy 1.0 1.8 5.55 98 98 A 52 GLU HA A 55 ARG HBx 1.0 1.8 3.19 99 99 A 52 GLU H A 52 GLU HBy 1.0 1.8 3.95 100 100 A 52 GLU H A 52 GLU HGx 1.0 1.8 4.41 101 101 A 52 GLU H A 52 GLU HGy 1.0 1.8 4.41 102 102 A 45 PHE HEx A 53 GLN HA 1.0 1.8 3.89 103 103 A 54 HIS HA A 57 ILE HB 1.0 1.8 3.94 104 104 A 54 HIS HA A 57 ILE HG2% 1.0 1.8 4.62 105 105 A 55 ARG HA A 58 TYR H 1.0 1.8 4.62 106 106 A 55 ARG HA A 58 TYR HDy 1.0 1.8 3.91 107 107 A 55 ARG HA A 55 ARG HDx 1.0 1.8 5.48 108 108 A 55 ARG HA A 55 ARG HDy 1.0 1.8 5.48 109 109 A 55 ARG HBy A 56 MET HA 1.0 1.8 4.01 110 110 A 57 ILE H A 56 MET HBy 1.0 1.8 4.61 111 111 A 57 ILE H A 56 MET HBx 1.0 1.8 4.61 112 112 A 45 PHE HEx A 56 MET HE% 1.0 1.8 3.60 113 113 A 56 MET H A 56 MET HGx 1.0 1.8 4.15 114 114 A 57 ILE HA A 60 VAL H 1.0 1.8 4.69 115 115 A 57 ILE HG2% A 57 ILE HA 1.0 1.8 3.51 116 116 A 57 ILE HG2% A 57 ILE HG1y 1.0 1.8 3.69 117 117 A 57 ILE HG2% A 57 ILE HG1x 1.0 1.8 3.69 118 118 A 57 ILE HG2% A 61 LEU HG 1.0 1.8 4.19 119 119 A 57 ILE HG2% A 71 ILE HB 1.0 1.8 4.35 120 120 A 57 ILE HG2% A 57 ILE HD1% 1.0 1.8 3.28 121 121 A 58 TYR HA A 61 LEU H 1.0 1.8 4.71 122 122 A 58 TYR HA A 57 ILE HG2% 1.0 1.8 4.12 123 123 A 58 TYR H A 58 TYR HBy 1.0 1.8 4.21 124 124 A 59 LYS HA A 62 ASP H 1.0 1.8 5.39 125 125 A 60 VAL HA A 60 VAL HGx% 1.0 1.8 3.45 126 126 A 60 VAL HA A 60 VAL HGy% 1.0 1.8 3.45 127 127 A 60 VAL H A 60 VAL HGy% 1.0 1.8 4.25 128 128 A 60 VAL H A 60 VAL HGx% 1.0 1.8 4.25 129 129 A 62 ASP HA A 63 GLY H 1.0 1.8 3.45 130 130 A 62 ASP H A 62 ASP HBy 1.0 1.8 4.15 131 131 A 62 ASP H A 62 ASP HBx 1.0 1.8 4.15 132 132 A 71 ILE HB A 57 ILE HD1% 1.0 1.8 4.69 133 133 A 57 ILE HG2% A 71 ILE HG2% 1.0 1.8 3.18 134 134 A 45 PHE HEx A 71 ILE HD1% 1.0 1.8 5.49 135 135 A 45 PHE HEy A 71 ILE HD1% 1.0 1.8 5.55 136 136 A 71 ILE HD1% A 45 PHE HZ 1.0 1.8 4.23 137 137 A 57 ILE HA A 71 ILE HD1% 1.0 1.8 4.38 138 138 A 71 ILE HG2% A 71 ILE HD1% 1.0 1.8 3.42 139 139 A 71 ILE HG2% A 71 ILE HG1y 1.0 1.8 4.04 140 140 A 71 ILE HG2% A 71 ILE HG1x 1.0 1.8 4.04 141 141 A 40 VAL H A 73 THR HA 1.0 1.8 3.89 142 142 A 73 THR HA A 73 THR HG2% 1.0 1.8 3.36 143 143 A 74 GLY H A 73 THR HB 1.0 1.8 4.37 144 144 A 73 THR HG2% A 73 THR H 1.0 1.8 4.36 145 145 A 40 VAL H A 73 THR HG2% 1.0 1.8 4.66 146 146 A 45 PHE HEx A 73 THR HG2% 1.0 1.8 4.50 147 147 A 40 VAL HB A 73 THR HG2% 1.0 1.8 3.93 148 148 A 40 VAL HGx% A 73 THR HG2% 1.0 1.8 3.42 149 149 A 76 LYS HA A 76 LYS HDx 1.0 1.8 5.55 150 150 A 76 LYS HA A 76 LYS HDy 1.0 1.8 5.55 151 151 A 24 ILE HG2% A 12 GLU HA 1.0 1.8 3.42 152 152 A 12 GLU H A 12 GLU HBx 1.0 1.8 3.93 153 153 A 14 LEU H A 12 GLU HBy 1.0 1.8 5.55 154 154 A 14 LEU H A 12 GLU HBx 1.0 1.8 5.55 155 155 A 24 ILE HG2% A 12 GLU HBx 1.0 1.8 5.55 156 156 A 24 ILE HG2% A 12 GLU HBy 1.0 1.8 5.55 157 157 A 12 GLU H A 12 GLU HGx 1.0 1.8 4.52 158 158 A 12 GLU H A 12 GLU HGy 1.0 1.8 4.52 159 159 A 24 ILE HG2% A 12 GLU HGx 1.0 1.8 4.70 160 160 A 24 ILE HG2% A 12 GLU HGy 1.0 1.8 4.70 161 161 A 13 LEU HDy% A 14 LEU HBy 1.0 1.8 4.53 162 162 A 13 LEU HDy% A 14 LEU HBx 1.0 1.8 4.53 163 163 A 13 LEU HA A 16 ARG HBx 1.0 1.8 4.41 164 164 A 13 LEU HA A 16 ARG HBy 1.0 1.8 4.41 165 165 A 14 LEU HA A 13 LEU HDy% 1.0 1.8 3.24 166 166 A 14 LEU HA A 17 ASN HBy 1.0 1.8 4.93 167 167 A 13 LEU HBy A 13 LEU H 1.0 1.8 4.11 168 168 A 13 LEU HBx A 13 LEU HDx% 1.0 1.8 3.76 169 169 A 13 LEU HBy A 13 LEU HDy% 1.0 1.8 4.08 170 170 A 13 LEU HDy% A 14 LEU H 1.0 1.8 4.49 171 171 A 22 ALA HB% A 42 SER HBy 1.0 1.8 4.34 172 172 A 40 VAL HGx% A 42 SER HBy 1.0 1.8 4.26 173 173 A 40 VAL HGx% A 42 SER HBx 1.0 1.8 4.26 174 174 A 22 ALA HB% A 42 SER HBx 1.0 1.8 4.34 175 175 A 61 LEU HG A 61 LEU H 1.0 1.8 4.64 176 176 A 57 ILE HG2% A 61 LEU HBy 1.0 1.8 4.36 177 177 A 57 ILE HG2% A 61 LEU HBx 1.0 1.8 4.36 178 178 A 11 LEU HA A 14 LEU HBy 1.0 1.8 4.49 179 179 A 11 LEU HA A 14 LEU HBx 1.0 1.8 4.49 180 180 A 11 LEU HA A 11 LEU HDx% 1.0 1.8 4.60 181 181 A 11 LEU HA A 11 LEU HDy% 1.0 1.8 4.60 182 182 A 19 PHE H A 15 ILE HA 1.0 1.8 4.39 183 183 A 15 ILE HA A 15 ILE HG2% 1.0 1.8 3.63 184 184 A 19 PHE H A 15 ILE HG2% 1.0 1.8 4.38 185 185 A 19 PHE HDx A 15 ILE HG2% 1.0 1.8 3.70 186 186 A 40 VAL HB A 15 ILE HG2% 1.0 1.8 5.12 187 187 A 15 ILE HG2% A 40 VAL HGy% 1.0 1.8 3.00 188 188 A 15 ILE HA A 15 ILE HD1% 1.0 1.8 4.54 189 189 A 15 ILE HB A 15 ILE HD1% 1.0 1.8 4.08 190 190 A 16 ARG H A 15 ILE HB 1.0 1.8 4.58 191 191 A 24 ILE HD1% A 15 ILE HB 1.0 1.8 4.22 192 192 A 25 THR HG2% A 26 VAL H 1.0 1.8 3.83 193 193 A 28 SER H A 28 SER HBy 1.0 1.8 4.21 194 194 A 45 PHE HEy A 40 VAL HGx% 1.0 1.8 3.87 195 195 A 40 VAL HGx% A 45 PHE HZ 1.0 1.8 4.87 196 196 A 15 ILE HG2% A 40 VAL HGx% 1.0 1.8 3.97 197 197 A 36 TYR HA A 36 TYR HDx 1.0 1.8 3.80 198 198 A 36 TYR HBy A 36 TYR HDy 1.0 1.8 3.48 199 199 A 36 TYR HDx A 28 SER HA 1.0 1.8 3.87 200 200 A 36 TYR HDx A 37 SER H 1.0 1.8 4.37 201 201 A 36 TYR HBx A 36 TYR HEx 1.0 1.8 5.02 202 202 A 58 TYR HDx A 58 TYR H 1.0 1.8 5.36 203 203 A 58 TYR HDy A 58 TYR H 1.0 1.8 5.55 204 204 A 58 TYR HA A 58 TYR HDx 1.0 1.8 3.27 205 205 A 58 TYR HA A 58 TYR HEx 1.0 1.8 4.70 206 206 A 19 PHE HA A 19 PHE HDy 1.0 1.8 4.30 207 207 A 19 PHE H A 19 PHE HDx 1.0 1.8 4.30 208 208 A 42 SER H A 45 PHE HDy 1.0 1.8 4.44 209 209 A 40 VAL HB A 45 PHE HEy 1.0 1.8 4.28 210 210 A 45 PHE HEy A 73 THR HG2% 1.0 1.8 4.17 211 211 A 45 PHE HZ A 73 THR HG2% 1.0 1.8 3.93 212 212 A 54 HIS HE1 A 50 LYS HEx 1.0 1.8 5.55 213 213 A 54 HIS HE1 A 50 LYS HEy 1.0 1.8 5.55 214 214 A 6 VAL H A 6 VAL HGx% 1.0 1.8 4.70 215 215 A 6 VAL H A 6 VAL HGy% 1.0 1.8 4.70 216 216 A 8 GLN H A 9 SER H 1.0 1.8 4.48 217 217 A 9 SER H A 9 SER HBx 1.0 1.8 4.07 218 218 A 9 SER H A 9 SER HBy 1.0 1.8 4.07 219 219 A 10 GLN H A 10 GLN HBx 1.0 1.8 3.79 220 220 A 10 GLN H A 10 GLN HBy 1.0 1.8 3.79 221 221 A 10 GLN H A 9 SER HBx 1.0 1.8 4.77 222 222 A 10 GLN H A 9 SER HBy 1.0 1.8 4.77 223 223 A 9 SER H A 10 GLN H 1.0 1.8 3.91 224 224 A 19 PHE H A 16 ARG H 1.0 1.8 4.67 225 225 A 16 ARG H A 16 ARG HBx 1.0 1.8 4.06 226 226 A 16 ARG H A 16 ARG HBy 1.0 1.8 4.06 227 227 A 17 ASN H A 16 ARG H 1.0 1.8 4.51 228 228 A 19 PHE H A 18 ALA H 1.0 1.8 3.15 229 229 A 17 ASN H A 18 ALA H 1.0 1.8 3.65 230 230 A 18 ALA H A 17 ASN HBy 1.0 1.8 4.13 231 231 A 18 ALA H A 17 ASN HBx 1.0 1.8 4.13 232 232 A 18 ALA HB% A 18 ALA H 1.0 1.8 3.02 233 233 A 15 ILE HG2% A 18 ALA H 1.0 1.8 5.24 234 234 A 19 PHE H A 18 ALA HB% 1.0 1.8 4.07 235 235 A 21 GLU H A 22 ALA H 1.0 1.8 3.30 236 236 A 22 ALA H A 21 GLU HBx 1.0 1.8 5.21 237 237 A 22 ALA H A 21 GLU HBy 1.0 1.8 5.21 238 238 A 22 ALA HB% A 22 ALA H 1.0 1.8 3.22 239 239 A 23 GLU H A 22 ALA HA 1.0 1.8 3.11 240 240 A 23 GLU H A 23 GLU HBy 1.0 1.8 4.06 241 241 A 22 ALA HB% A 23 GLU H 1.0 1.8 3.41 242 242 A 23 GLU H A 41 ILE HB 1.0 1.8 3.70 243 243 A 24 ILE H A 23 GLU HA 1.0 1.8 2.96 244 244 A 24 ILE HB A 24 ILE H 1.0 1.8 3.49 245 245 A 15 ILE HG2% A 24 ILE H 1.0 1.8 4.94 246 246 A 25 THR HA A 26 VAL H 1.0 1.8 3.27 247 247 A 26 VAL H A 26 VAL HB 1.0 1.8 3.77 248 248 A 26 VAL H A 26 VAL HGx% 1.0 1.8 4.41 249 249 A 26 VAL H A 26 VAL HGy% 1.0 1.8 4.41 250 250 A 28 SER H A 28 SER HBx 1.0 1.8 4.21 251 251 A 28 SER H A 27 THR HG2% 1.0 1.8 4.29 252 252 A 30 VAL H A 30 VAL HGx% 1.0 1.8 4.54 253 253 A 30 VAL H A 30 VAL HGy% 1.0 1.8 4.54 254 254 A 36 TYR HA A 37 SER H 1.0 1.8 3.24 255 255 A 37 SER H A 36 TYR HBx 1.0 1.8 3.91 256 256 A 39 LYS HA A 40 VAL H 1.0 1.8 3.37 257 257 A 40 VAL HB A 40 VAL H 1.0 1.8 4.03 258 258 A 40 VAL H A 39 LYS HGx 1.0 1.8 5.55 259 259 A 40 VAL H A 39 LYS HGy 1.0 1.8 5.55 260 260 A 40 VAL H A 40 VAL HGy% 1.0 1.8 3.92 261 261 A 41 ILE H A 40 VAL HA 1.0 1.8 3.16 262 262 A 41 ILE H A 41 ILE HB 1.0 1.8 3.75 263 263 A 22 ALA HB% A 41 ILE H 1.0 1.8 4.27 264 264 A 41 ILE H A 41 ILE HG1x 1.0 1.8 4.59 265 265 A 41 ILE H A 40 VAL HGy% 1.0 1.8 4.76 266 266 A 40 VAL HGx% A 41 ILE H 1.0 1.8 4.24 267 267 A 41 ILE HA A 42 SER H 1.0 1.8 3.51 268 268 A 41 ILE HG2% A 42 SER H 1.0 1.8 4.44 269 269 A 44 GLN H A 45 PHE H 1.0 1.8 3.70 270 270 A 46 GLN H A 45 PHE H 1.0 1.8 3.29 271 271 A 45 PHE H A 45 PHE HBy 1.0 1.8 4.00 272 272 A 45 PHE H A 45 PHE HBx 1.0 1.8 4.00 273 273 A 46 GLN H A 46 GLN HGy 1.0 1.8 4.79 274 274 A 48 LYS H A 48 LYS HDx 1.0 1.8 4.59 275 275 A 48 LYS H A 48 LYS HDy 1.0 1.8 4.59 276 276 A 48 LYS H A 48 LYS HGy 1.0 1.8 4.62 277 277 A 48 LYS H A 48 LYS HGx 1.0 1.8 4.62 278 278 A 49 SER H A 48 LYS HBy 1.0 1.8 4.25 279 279 A 49 SER H A 48 LYS HBx 1.0 1.8 4.25 280 280 A 52 GLU H A 53 GLN H 1.0 1.8 3.64 281 281 A 52 GLU H A 51 LEU H 1.0 1.8 3.78 282 282 A 52 GLU H A 52 GLU HBx 1.0 1.8 3.95 283 283 A 54 HIS H A 54 HIS HBy 1.0 1.8 4.21 284 284 A 54 HIS H A 54 HIS HBx 1.0 1.8 4.21 285 285 A 52 GLU HA A 55 ARG H 1.0 1.8 4.31 286 286 A 53 GLN H A 50 LYS HA 1.0 1.8 4.65 287 287 A 55 ARG HBx A 55 ARG H 1.0 1.8 3.01 288 288 A 56 MET H A 55 ARG H 1.0 1.8 3.83 289 289 A 57 ILE H A 56 MET H 1.0 1.8 3.63 290 290 A 56 MET H A 56 MET HGy 1.0 1.8 4.15 291 291 A 55 ARG HBx A 56 MET H 1.0 1.8 4.04 292 292 A 55 ARG HBy A 56 MET H 1.0 1.8 4.47 293 293 A 57 ILE HB A 57 ILE H 1.0 1.8 3.41 294 294 A 57 ILE H A 57 ILE HG1y 1.0 1.8 4.43 295 295 A 57 ILE H A 57 ILE HG1x 1.0 1.8 4.43 296 296 A 57 ILE HG2% A 57 ILE H 1.0 1.8 4.25 297 297 A 58 TYR H A 59 LYS H 1.0 1.8 3.83 298 298 A 58 TYR H A 57 ILE H 1.0 1.8 3.52 299 299 A 58 TYR H A 58 TYR HBx 1.0 1.8 4.21 300 300 A 57 ILE HB A 58 TYR H 1.0 1.8 3.70 301 301 A 57 ILE HG2% A 58 TYR H 1.0 1.8 4.35 302 302 A 59 LYS H A 59 LYS HBx 1.0 1.8 4.10 303 303 A 59 LYS H A 59 LYS HBy 1.0 1.8 4.10 304 304 A 60 VAL H A 59 LYS H 1.0 1.8 3.93 305 305 A 60 VAL H A 60 VAL HB 1.0 1.8 3.81 306 306 A 60 VAL H A 59 LYS HBx 1.0 1.8 4.50 307 307 A 60 VAL H A 59 LYS HBy 1.0 1.8 4.50 308 308 A 57 ILE HG2% A 60 VAL H 1.0 1.8 5.23 309 309 A 63 GLY H A 64 LEU H 1.0 1.8 4.26 310 310 A 71 ILE HB A 71 ILE H 1.0 1.8 4.07 311 311 A 75 CYS HA A 76 LYS H 1.0 1.8 3.42 312 312 A 76 LYS H A 75 CYS HBx 1.0 1.8 4.90 313 313 A 76 LYS H A 75 CYS HBy 1.0 1.8 4.90 314 314 A 76 LYS H A 76 LYS HGx 1.0 1.8 5.25 315 315 A 76 LYS H A 76 LYS HGy 1.0 1.8 5.25 316 316 A 76 LYS H A 76 LYS HDx 1.0 1.8 5.55 317 317 A 76 LYS H A 76 LYS HDy 1.0 1.8 5.55 318 318 A 12 GLU H A 12 GLU HBy 1.0 1.8 3.93 319 319 A 13 LEU HDy% A 13 LEU H 1.0 1.8 4.67 320 320 A 12 GLU H A 14 LEU H 1.0 1.8 4.36 321 321 A 14 LEU H A 13 LEU H 1.0 1.8 4.14 322 322 A 13 LEU HBy A 14 LEU H 1.0 1.8 3.13 323 323 A 73 THR H A 72 GLN HA 1.0 1.8 3.30 324 324 A 22 ALA HB% A 42 SER HA 1.0 1.8 4.39 325 325 A 15 ILE HG2% A 24 ILE HA 1.0 1.8 3.94 326 326 A 27 THR HG2% A 27 THR HA 1.0 1.8 3.82 327 327 A 19 PHE HA A 20 PRO HDy 1.0 1.8 3.81 328 328 A 19 PHE HA A 20 PRO HDx 1.0 1.8 3.81 329 329 A 57 ILE HG2% A 71 ILE HA 1.0 1.8 5.18 330 330 A 6 VAL H A 6 VAL HGy% 1.0 1.8 4.09 331 330 A 6 VAL H A 6 VAL HGx% 1.0 1.8 4.09 332 331 A 9 SER H A 8 GLN HBy 1.0 1.8 4.14 333 331 A 9 SER H A 8 GLN HBx 1.0 1.8 4.14 334 332 A 9 SER H A 9 SER HBx 1.0 1.8 3.42 335 332 A 9 SER H A 9 SER HBy 1.0 1.8 3.42 336 333 A 9 SER HA A 12 GLU HBy 1.0 1.8 3.62 337 333 A 9 SER HA A 12 GLU HBx 1.0 1.8 3.62 338 334 A 10 GLN H A 9 SER HBx 1.0 1.8 4.06 339 334 A 10 GLN H A 9 SER HBy 1.0 1.8 4.06 340 335 A 10 GLN H A 10 GLN HBx 1.0 1.8 3.30 341 335 A 10 GLN H A 10 GLN HBy 1.0 1.8 3.30 342 336 A 13 LEU HDy% A 10 GLN HBx 1.0 1.8 4.53 343 336 A 13 LEU HDy% A 10 GLN HBy 1.0 1.8 4.53 344 337 A 11 LEU HA A 11 LEU HDx% 1.0 1.8 3.87 345 337 A 11 LEU HA A 11 LEU HDy% 1.0 1.8 3.87 346 338 A 11 LEU HA A 14 LEU HBy 1.0 1.8 3.84 347 338 A 11 LEU HA A 14 LEU HBx 1.0 1.8 3.84 348 339 A 12 GLU H A 12 GLU HGx 1.0 1.8 3.93 349 339 A 12 GLU H A 12 GLU HGy 1.0 1.8 3.93 350 340 A 12 GLU HA A 12 GLU HGx 1.0 1.8 3.75 351 340 A 12 GLU HA A 12 GLU HGy 1.0 1.8 3.75 352 341 A 12 GLU HBy A 12 GLU HGx 1.0 1.8 2.32 353 341 A 12 GLU HGy A 12 GLU HBy 1.0 1.8 2.32 354 341 A 12 GLU HBx A 12 GLU HGy 1.0 1.8 2.32 355 341 A 12 GLU HBx A 12 GLU HGx 1.0 1.8 2.32 356 342 A 14 LEU H A 12 GLU HBy 1.0 1.8 4.79 357 342 A 14 LEU H A 12 GLU HBx 1.0 1.8 4.79 358 343 A 24 ILE HG2% A 12 GLU HBy 1.0 1.8 4.81 359 343 A 24 ILE HG2% A 12 GLU HBx 1.0 1.8 4.81 360 344 A 12 GLU HBy A 26 VAL HGy% 1.0 1.8 4.90 361 344 A 12 GLU HBx A 26 VAL HGy% 1.0 1.8 4.90 362 344 A 26 VAL HGx% A 12 GLU HBy 1.0 1.8 4.90 363 344 A 12 GLU HBx A 26 VAL HGx% 1.0 1.8 4.90 364 345 A 24 ILE HG2% A 12 GLU HGx 1.0 1.8 4.09 365 345 A 24 ILE HG2% A 12 GLU HGy 1.0 1.8 4.09 366 346 A 12 GLU HGy A 26 VAL HGy% 1.0 1.8 4.09 367 346 A 12 GLU HGx A 26 VAL HGy% 1.0 1.8 4.09 368 346 A 26 VAL HGx% A 12 GLU HGx 1.0 1.8 4.09 369 346 A 12 GLU HGy A 26 VAL HGx% 1.0 1.8 4.09 370 347 A 13 LEU H A 14 LEU HBy 1.0 1.8 4.50 371 347 A 13 LEU H A 14 LEU HBx 1.0 1.8 4.50 372 348 A 13 LEU HA A 16 ARG HBy 1.0 1.8 3.84 373 348 A 13 LEU HA A 16 ARG HBx 1.0 1.8 3.84 374 349 A 13 LEU HA A 17 ASN HD2x 1.0 1.8 3.99 375 349 A 13 LEU HA A 17 ASN HD2y 1.0 1.8 3.99 376 350 A 13 LEU HBx A 17 ASN HD2x 1.0 1.8 4.38 377 350 A 13 LEU HBx A 17 ASN HD2y 1.0 1.8 4.38 378 351 A 13 LEU HDy% A 14 LEU HBy 1.0 1.8 3.85 379 351 A 13 LEU HDy% A 14 LEU HBx 1.0 1.8 3.85 380 352 A 14 LEU HA A 17 ASN HBx 1.0 1.8 4.06 381 352 A 14 LEU HA A 17 ASN HBy 1.0 1.8 4.06 382 353 A 15 ILE HG2% A 19 PHE HBx 1.0 1.8 4.07 383 353 A 15 ILE HG2% A 19 PHE HBy 1.0 1.8 4.07 384 354 A 16 ARG H A 16 ARG HBy 1.0 1.8 3.37 385 354 A 16 ARG H A 16 ARG HBx 1.0 1.8 3.37 386 355 A 16 ARG HA A 16 ARG HGy 1.0 1.8 3.67 387 355 A 16 ARG HA A 16 ARG HGx 1.0 1.8 3.67 388 356 A 16 ARG HA A 16 ARG HDx 1.0 1.8 3.72 389 356 A 16 ARG HA A 16 ARG HDy 1.0 1.8 3.72 390 357 A 17 ASN H A 16 ARG HBy 1.0 1.8 4.33 391 357 A 17 ASN H A 16 ARG HBx 1.0 1.8 4.33 392 358 A 24 ILE HD1% A 16 ARG HBy 1.0 1.8 3.89 393 358 A 24 ILE HD1% A 16 ARG HBx 1.0 1.8 3.89 394 359 A 24 ILE HD1% A 16 ARG HGy 1.0 1.8 4.37 395 359 A 24 ILE HD1% A 16 ARG HGx 1.0 1.8 4.37 396 360 A 20 PRO HA A 16 ARG HDx 1.0 1.8 4.34 397 360 A 20 PRO HA A 16 ARG HDy 1.0 1.8 4.34 398 361 A 24 ILE HD1% A 16 ARG HDx 1.0 1.8 4.01 399 361 A 24 ILE HD1% A 16 ARG HDy 1.0 1.8 4.01 400 362 A 17 ASN H A 17 ASN HBx 1.0 1.8 3.38 401 362 A 17 ASN H A 17 ASN HBy 1.0 1.8 3.38 402 363 A 19 PHE H A 19 PHE HBx 1.0 1.8 3.65 403 363 A 19 PHE H A 19 PHE HBy 1.0 1.8 3.65 404 364 A 19 PHE H A 20 PRO HDy 1.0 1.8 4.60 405 364 A 19 PHE H A 20 PRO HDx 1.0 1.8 4.60 406 365 A 19 PHE HA A 20 PRO HGx 1.0 1.8 4.34 407 365 A 19 PHE HA A 20 PRO HGy 1.0 1.8 4.34 408 366 A 22 ALA HB% A 19 PHE HBx 1.0 1.8 3.37 409 366 A 22 ALA HB% A 19 PHE HBy 1.0 1.8 3.37 410 367 A 21 GLU H A 21 GLU HBx 1.0 1.8 3.69 411 367 A 21 GLU H A 21 GLU HBy 1.0 1.8 3.69 412 368 A 22 ALA H A 21 GLU HBx 1.0 1.8 4.45 413 368 A 22 ALA H A 21 GLU HBy 1.0 1.8 4.45 414 369 A 22 ALA HB% A 42 SER HBy 1.0 1.8 3.57 415 369 A 22 ALA HB% A 42 SER HBx 1.0 1.8 3.57 416 370 A 23 GLU H A 23 GLU HBy 1.0 1.8 3.41 417 370 A 23 GLU H A 23 GLU HBx 1.0 1.8 3.41 418 371 A 23 GLU H A 23 GLU HGy 1.0 1.8 4.27 419 371 A 23 GLU H A 23 GLU HGx 1.0 1.8 4.27 420 372 A 25 THR HA A 26 VAL HGy% 1.0 1.8 5.28 421 372 A 25 THR HA A 26 VAL HGx% 1.0 1.8 5.28 422 373 A 25 THR HB A 39 LYS HBx 1.0 1.8 3.26 423 373 A 25 THR HB A 39 LYS HBy 1.0 1.8 3.26 424 374 A 26 VAL H A 26 VAL HGy% 1.0 1.8 3.87 425 374 A 26 VAL H A 26 VAL HGx% 1.0 1.8 3.87 426 375 A 36 TYR HDx A 28 SER HBy 1.0 1.8 4.20 427 375 A 36 TYR HDx A 28 SER HBx 1.0 1.8 4.20 428 376 A 36 TYR HEx A 28 SER HBy 1.0 1.8 4.06 429 376 A 36 TYR HEx A 28 SER HBx 1.0 1.8 4.06 430 377 A 29 LEU H A 29 LEU HDx% 1.0 1.8 4.62 431 377 A 29 LEU H A 29 LEU HDy% 1.0 1.8 4.62 432 378 A 29 LEU HA A 29 LEU HDx% 1.0 1.8 3.74 433 378 A 29 LEU HA A 29 LEU HDy% 1.0 1.8 3.74 434 379 A 36 TYR HBx A 29 LEU HDx% 1.0 1.8 4.46 435 379 A 36 TYR HBx A 29 LEU HDy% 1.0 1.8 4.46 436 380 A 37 SER H A 29 LEU HDx% 1.0 1.8 4.46 437 380 A 37 SER H A 29 LEU HDy% 1.0 1.8 4.46 438 381 A 29 LEU HDx% A 37 SER HBx 1.0 1.8 4.02 439 381 A 29 LEU HDy% A 37 SER HBx 1.0 1.8 4.02 440 381 A 37 SER HBy A 29 LEU HDx% 1.0 1.8 4.02 441 381 A 29 LEU HDy% A 37 SER HBy 1.0 1.8 4.02 442 382 A 30 VAL H A 30 VAL HGy% 1.0 1.8 3.93 443 382 A 30 VAL H A 30 VAL HGx% 1.0 1.8 3.93 444 383 A 37 SER H A 37 SER HBx 1.0 1.8 3.72 445 383 A 37 SER H A 37 SER HBy 1.0 1.8 3.72 446 384 A 39 LYS HA A 72 GLN HBy 1.0 1.8 4.42 447 384 A 39 LYS HA A 72 GLN HBx 1.0 1.8 4.42 448 385 A 39 LYS HBy A 72 GLN HBy 1.0 1.8 3.71 449 385 A 39 LYS HBx A 72 GLN HBy 1.0 1.8 3.71 450 385 A 72 GLN HBx A 39 LYS HBx 1.0 1.8 3.71 451 385 A 39 LYS HBy A 72 GLN HBx 1.0 1.8 3.71 452 386 A 40 VAL H A 39 LYS HGy 1.0 1.8 4.83 453 386 A 40 VAL H A 39 LYS HGx 1.0 1.8 4.83 454 387 A 39 LYS HGx A 72 GLN HBy 1.0 1.8 4.81 455 387 A 39 LYS HGy A 72 GLN HBy 1.0 1.8 4.81 456 387 A 72 GLN HBx A 39 LYS HGy 1.0 1.8 4.81 457 387 A 72 GLN HBx A 39 LYS HGx 1.0 1.8 4.81 458 388 A 41 ILE HD1% A 39 LYS HEy 1.0 1.8 4.51 459 388 A 41 ILE HD1% A 39 LYS HEx 1.0 1.8 4.51 460 389 A 41 ILE H A 41 ILE HG1x 1.0 1.8 3.88 461 389 A 41 ILE H A 41 ILE HG1y 1.0 1.8 3.88 462 390 A 41 ILE HD1% A 74 GLY HAy 1.0 1.8 4.46 463 390 A 41 ILE HD1% A 74 GLY HAx 1.0 1.8 4.46 464 391 A 45 PHE HEy A 42 SER HBy 1.0 1.8 4.07 465 391 A 45 PHE HEy A 42 SER HBx 1.0 1.8 4.07 466 392 A 45 PHE HDy A 42 SER HBy 1.0 1.8 4.86 467 392 A 45 PHE HDy A 42 SER HBx 1.0 1.8 4.86 468 393 A 44 GLN H A 44 GLN HBx 1.0 1.8 3.46 469 393 A 44 GLN H A 44 GLN HBy 1.0 1.8 3.46 470 394 A 44 GLN H A 44 GLN HGx 1.0 1.8 3.56 471 394 A 44 GLN H A 44 GLN HGy 1.0 1.8 3.56 472 395 A 44 GLN HE2y A 44 GLN HGx 1.0 1.8 3.23 473 395 A 44 GLN HE2x A 44 GLN HGx 1.0 1.8 3.23 474 395 A 44 GLN HGy A 44 GLN HE2y 1.0 1.8 3.23 475 395 A 44 GLN HGy A 44 GLN HE2x 1.0 1.8 3.23 476 396 A 45 PHE H A 45 PHE HBx 1.0 1.8 3.32 477 396 A 45 PHE H A 45 PHE HBy 1.0 1.8 3.32 478 397 A 45 PHE H A 46 GLN HBx 1.0 1.8 4.47 479 397 A 45 PHE H A 46 GLN HBy 1.0 1.8 4.47 480 398 A 45 PHE HBx A 53 GLN HGy 1.0 1.8 4.72 481 398 A 45 PHE HBy A 53 GLN HGy 1.0 1.8 4.72 482 398 A 53 GLN HGx A 45 PHE HBx 1.0 1.8 4.72 483 398 A 45 PHE HBy A 53 GLN HGx 1.0 1.8 4.72 484 399 A 45 PHE HDx A 53 GLN HGy 1.0 1.8 4.25 485 399 A 53 GLN HGx A 45 PHE HDx 1.0 1.8 4.25 486 400 A 45 PHE HEx A 56 MET HBx 1.0 1.8 4.39 487 400 A 45 PHE HEx A 56 MET HBy 1.0 1.8 4.39 488 401 A 46 GLN H A 46 GLN HBx 1.0 1.8 3.48 489 401 A 46 GLN H A 46 GLN HBy 1.0 1.8 3.48 490 402 A 46 GLN H A 46 GLN HGx 1.0 1.8 4.06 491 402 A 46 GLN H A 46 GLN HGy 1.0 1.8 4.06 492 403 A 48 LYS H A 48 LYS HBx 1.0 1.8 3.47 493 403 A 48 LYS H A 48 LYS HBy 1.0 1.8 3.47 494 404 A 48 LYS H A 48 LYS HDy 1.0 1.8 3.94 495 404 A 48 LYS H A 48 LYS HDx 1.0 1.8 3.94 496 405 A 48 LYS HBy A 52 GLU HBy 1.0 1.8 3.34 497 405 A 48 LYS HBx A 52 GLU HBy 1.0 1.8 3.34 498 405 A 52 GLU HBx A 48 LYS HBx 1.0 1.8 3.34 499 405 A 48 LYS HBy A 52 GLU HBx 1.0 1.8 3.34 500 406 A 49 SER H A 49 SER HBy 1.0 1.8 3.58 501 406 A 49 SER H A 49 SER HBx 1.0 1.8 3.58 502 407 A 49 SER H A 52 GLU HBy 1.0 1.8 3.54 503 407 A 49 SER H A 52 GLU HBx 1.0 1.8 3.54 504 408 A 50 LYS HA A 53 GLN HBy 1.0 1.8 4.12 505 408 A 50 LYS HA A 53 GLN HBx 1.0 1.8 4.12 506 409 A 51 LEU H A 50 LYS HBy 1.0 1.8 4.41 507 409 A 51 LEU H A 50 LYS HBx 1.0 1.8 4.41 508 410 A 51 LEU HA A 50 LYS HBy 1.0 1.8 4.10 509 410 A 51 LEU HA A 50 LYS HBx 1.0 1.8 4.10 510 411 A 54 HIS HE1 A 50 LYS HGy 1.0 1.8 3.87 511 411 A 54 HIS HE1 A 50 LYS HGx 1.0 1.8 3.87 512 412 A 54 HIS HE1 A 50 LYS HDy 1.0 1.8 4.35 513 412 A 54 HIS HE1 A 50 LYS HDx 1.0 1.8 4.35 514 413 A 51 LEU H A 51 LEU HBx 1.0 1.8 3.72 515 413 A 51 LEU H A 51 LEU HBy 1.0 1.8 3.72 516 414 A 51 LEU HA A 51 LEU HDx% 1.0 1.8 4.19 517 414 A 51 LEU HA A 51 LEU HDy% 1.0 1.8 4.19 518 415 A 51 LEU HA A 54 HIS HBy 1.0 1.8 4.31 519 415 A 51 LEU HA A 54 HIS HBx 1.0 1.8 4.31 520 416 A 52 GLU H A 52 GLU HBy 1.0 1.8 3.46 521 416 A 52 GLU H A 52 GLU HBx 1.0 1.8 3.46 522 417 A 52 GLU H A 52 GLU HGx 1.0 1.8 3.76 523 417 A 52 GLU H A 52 GLU HGy 1.0 1.8 3.76 524 418 A 52 GLU HA A 52 GLU HGx 1.0 1.8 3.77 525 418 A 52 GLU HA A 52 GLU HGy 1.0 1.8 3.77 526 419 A 53 GLN H A 52 GLU HBy 1.0 1.8 3.96 527 419 A 53 GLN H A 52 GLU HBx 1.0 1.8 3.96 528 420 A 52 GLU HBy A 53 GLN HGy 1.0 1.8 4.40 529 420 A 53 GLN HGx A 52 GLU HBy 1.0 1.8 4.40 530 420 A 53 GLN HGx A 52 GLU HBx 1.0 1.8 4.40 531 420 A 52 GLU HBx A 53 GLN HGy 1.0 1.8 4.40 532 421 A 53 GLN H A 53 GLN HBy 1.0 1.8 3.72 533 421 A 53 GLN H A 53 GLN HBx 1.0 1.8 3.72 534 422 A 53 GLN H A 53 GLN HGy 1.0 1.8 3.40 535 422 A 53 GLN H A 53 GLN HGx 1.0 1.8 3.40 536 423 A 53 GLN HA A 53 GLN HGy 1.0 1.8 3.67 537 423 A 53 GLN HA A 53 GLN HGx 1.0 1.8 3.67 538 424 A 53 GLN HA A 56 MET HBx 1.0 1.8 4.37 539 424 A 53 GLN HA A 56 MET HBy 1.0 1.8 4.37 540 425 A 54 HIS H A 53 GLN HBy 1.0 1.8 3.62 541 425 A 54 HIS H A 53 GLN HBx 1.0 1.8 3.62 542 426 A 54 HIS H A 54 HIS HBy 1.0 1.8 3.49 543 426 A 54 HIS H A 54 HIS HBx 1.0 1.8 3.49 544 427 A 55 ARG H A 54 HIS HBy 1.0 1.8 3.77 545 427 A 55 ARG H A 54 HIS HBx 1.0 1.8 3.77 546 428 A 55 ARG H A 55 ARG HGy 1.0 1.8 3.64 547 428 A 55 ARG H A 55 ARG HGx 1.0 1.8 3.64 548 429 A 55 ARG HA A 55 ARG HGy 1.0 1.8 3.68 549 429 A 55 ARG HA A 55 ARG HGx 1.0 1.8 3.68 550 430 A 55 ARG HA A 55 ARG HDy 1.0 1.8 4.71 551 430 A 55 ARG HA A 55 ARG HDx 1.0 1.8 4.71 552 431 A 55 ARG HA A 58 TYR HBx 1.0 1.8 3.73 553 431 A 55 ARG HA A 58 TYR HBy 1.0 1.8 3.73 554 432 A 58 TYR HDy A 55 ARG HGy 1.0 1.8 5.39 555 432 A 58 TYR HDy A 55 ARG HGx 1.0 1.8 5.39 556 433 A 56 MET H A 56 MET HBx 1.0 1.8 3.25 557 433 A 56 MET H A 56 MET HBy 1.0 1.8 3.25 558 434 A 56 MET H A 56 MET HGx 1.0 1.8 3.32 559 434 A 56 MET H A 56 MET HGy 1.0 1.8 3.32 560 435 A 56 MET HA A 56 MET HGx 1.0 1.8 3.63 561 435 A 56 MET HA A 56 MET HGy 1.0 1.8 3.63 562 436 A 56 MET HE% A 56 MET HBx 1.0 1.8 3.31 563 436 A 56 MET HE% A 56 MET HBy 1.0 1.8 3.31 564 437 A 57 ILE H A 56 MET HBx 1.0 1.8 3.90 565 437 A 57 ILE H A 56 MET HBy 1.0 1.8 3.90 566 438 A 56 MET HE% A 56 MET HGx 1.0 1.8 3.60 567 438 A 56 MET HE% A 56 MET HGy 1.0 1.8 3.60 568 439 A 57 ILE H A 57 ILE HG1x 1.0 1.8 3.67 569 439 A 57 ILE H A 57 ILE HG1y 1.0 1.8 3.67 570 440 A 57 ILE HG2% A 57 ILE HG1x 1.0 1.8 3.15 571 440 A 57 ILE HG2% A 57 ILE HG1y 1.0 1.8 3.15 572 441 A 57 ILE HG2% A 61 LEU HBy 1.0 1.8 3.62 573 441 A 57 ILE HG2% A 61 LEU HBx 1.0 1.8 3.62 574 442 A 57 ILE HG1x A 71 ILE HG1x 1.0 1.8 3.72 575 442 A 57 ILE HG1y A 71 ILE HG1x 1.0 1.8 3.72 576 442 A 71 ILE HG1y A 57 ILE HG1x 1.0 1.8 3.72 577 442 A 57 ILE HG1y A 71 ILE HG1y 1.0 1.8 3.72 578 443 A 71 ILE HD1% A 57 ILE HG1x 1.0 1.8 3.66 579 443 A 71 ILE HD1% A 57 ILE HG1y 1.0 1.8 3.66 580 444 A 57 ILE HD1% A 71 ILE HG1x 1.0 1.8 3.55 581 444 A 57 ILE HD1% A 71 ILE HG1y 1.0 1.8 3.55 582 445 A 58 TYR H A 58 TYR HBx 1.0 1.8 3.38 583 445 A 58 TYR H A 58 TYR HBy 1.0 1.8 3.38 584 446 A 58 TYR HA A 61 LEU HBy 1.0 1.8 4.05 585 446 A 58 TYR HA A 61 LEU HBx 1.0 1.8 4.05 586 447 A 59 LYS H A 58 TYR HBx 1.0 1.8 4.42 587 447 A 59 LYS H A 58 TYR HBy 1.0 1.8 4.42 588 448 A 58 TYR HDx A 61 LEU HBy 1.0 1.8 5.39 589 448 A 58 TYR HDx A 61 LEU HBx 1.0 1.8 5.39 590 449 A 59 LYS H A 59 LYS HBy 1.0 1.8 3.37 591 449 A 59 LYS H A 59 LYS HBx 1.0 1.8 3.37 592 450 A 59 LYS HA A 59 LYS HGy 1.0 1.8 3.78 593 450 A 59 LYS HA A 59 LYS HGx 1.0 1.8 3.78 594 451 A 59 LYS HA A 59 LYS HDy 1.0 1.8 4.42 595 451 A 59 LYS HA A 59 LYS HDx 1.0 1.8 4.42 596 452 A 60 VAL H A 59 LYS HBy 1.0 1.8 3.91 597 452 A 60 VAL H A 59 LYS HBx 1.0 1.8 3.91 598 453 A 60 VAL H A 60 VAL HGy% 1.0 1.8 3.20 599 453 A 60 VAL H A 60 VAL HGx% 1.0 1.8 3.20 600 454 A 61 LEU HG A 60 VAL HGy% 1.0 1.8 4.94 601 454 A 61 LEU HG A 60 VAL HGx% 1.0 1.8 4.94 602 455 A 61 LEU HA A 61 LEU HDx% 1.0 1.8 3.88 603 455 A 61 LEU HA A 61 LEU HDy% 1.0 1.8 3.88 604 456 A 62 ASP H A 62 ASP HBx 1.0 1.8 3.64 605 456 A 62 ASP H A 62 ASP HBy 1.0 1.8 3.64 606 457 A 64 LEU H A 64 LEU HBx 1.0 1.8 3.68 607 457 A 64 LEU H A 64 LEU HBy 1.0 1.8 3.68 608 458 A 73 THR H A 72 GLN HBy 1.0 1.8 4.20 609 458 A 73 THR H A 72 GLN HBx 1.0 1.8 4.20 610 459 A 76 LYS H A 75 CYS HBy 1.0 1.8 4.17 611 459 A 76 LYS H A 75 CYS HBx 1.0 1.8 4.17 612 460 A 76 LYS H A 76 LYS HGy 1.0 1.8 4.44 613 460 A 76 LYS H A 76 LYS HGx 1.0 1.8 4.44 614 461 A 76 LYS HA A 76 LYS HDy 1.0 1.8 4.81 615 461 A 76 LYS HA A 76 LYS HDx 1.0 1.8 4.81 616 462 A 76 LYS HBx A 76 LYS HDy 1.0 1.8 3.33 617 462 A 76 LYS HBy A 76 LYS HDy 1.0 1.8 3.33 618 462 A 76 LYS HDx A 76 LYS HBx 1.0 1.8 3.33 619 462 A 76 LYS HDx A 76 LYS HBy 1.0 1.8 3.33 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 12 GLU H A 8 GLN O 1.0 0.2 2.0 2 2 A 8 GLN O A 12 GLU N 1.0 0.3 3.0 3 3 A 13 LEU H A 9 SER O 1.0 0.2 2.0 4 4 A 9 SER O A 13 LEU N 1.0 0.3 3.0 5 5 A 14 LEU H A 10 GLN O 1.0 0.2 2.0 6 6 A 10 GLN O A 14 LEU N 1.0 0.3 3.0 7 7 A 16 ARG H A 12 GLU O 1.0 0.2 2.0 8 8 A 12 GLU O A 16 ARG N 1.0 0.3 3.0 9 9 A 17 ASN H A 13 LEU O 1.0 0.2 2.0 10 10 A 13 LEU O A 17 ASN N 1.0 0.3 3.0 11 11 A 18 ALA H A 14 LEU O 1.0 0.2 2.0 12 12 A 14 LEU O A 18 ALA N 1.0 0.3 3.0 13 13 A 19 PHE H A 15 ILE O 1.0 0.2 2.0 14 14 A 15 ILE O A 19 PHE N 1.0 0.3 3.0 15 15 A 54 HIS H A 50 LYS O 1.0 0.2 2.0 16 16 A 50 LYS O A 54 HIS N 1.0 0.3 3.0 17 17 A 55 ARG H A 51 LEU O 1.0 0.2 2.0 18 18 A 51 LEU O A 55 ARG N 1.0 0.3 3.0 19 19 A 56 MET H A 52 GLU O 1.0 0.2 2.0 20 20 A 52 GLU O A 56 MET N 1.0 0.3 3.0 21 21 A 57 ILE H A 53 GLN O 1.0 0.2 2.0 22 22 A 53 GLN O A 57 ILE N 1.0 0.3 3.0 23 23 A 58 TYR H A 54 HIS O 1.0 0.2 2.0 24 24 A 54 HIS O A 58 TYR N 1.0 0.3 3.0 25 25 A 59 LYS H A 55 ARG O 1.0 0.2 2.0 26 26 A 55 ARG O A 59 LYS N 1.0 0.3 3.0 27 27 A 60 VAL H A 56 MET O 1.0 0.2 2.0 28 28 A 56 MET O A 60 VAL N 1.0 0.3 3.0 29 29 A 61 LEU H A 57 ILE O 1.0 0.2 2.0 30 30 A 57 ILE O A 61 LEU N 1.0 0.3 3.0 31 31 A 41 ILE H A 23 GLU O 1.0 0.2 2.0 32 32 A 23 GLU O A 41 ILE N 1.0 0.3 3.0 33 33 A 23 GLU H A 41 ILE O 1.0 0.2 2.0 34 34 A 41 ILE O A 23 GLU N 1.0 0.3 3.0 35 35 A 27 THR H A 37 SER O 1.0 0.2 2.0 36 36 A 37 SER O A 27 THR N 1.0 0.3 3.0 37 37 A 25 THR H A 39 LYS O 1.0 0.2 2.0 38 38 A 39 LYS O A 25 THR N 1.0 0.3 3.0 39 39 A 25 THR O A 39 LYS H 1.0 0.2 2.0 40 40 A 25 THR O A 39 LYS N 1.0 0.3 3.0 41 41 A 37 SER H A 27 THR O 1.0 0.2 2.0 42 42 A 27 THR O A 37 SER N 1.0 0.3 3.0 43 43 A 40 VAL H A 72 GLN O 1.0 0.2 2.0 44 44 A 72 GLN O A 40 VAL N 1.0 0.3 3.0 45 45 A 38 ILE O A 72 GLN H 1.0 0.2 2.0 46 46 A 38 ILE O A 72 GLN N 1.0 0.3 3.0 47 47 A 38 ILE H A 70 GLN O 1.0 0.2 2.0 48 48 A 70 GLN O A 38 ILE N 1.0 0.3 3.0 49 49 A 45 PHE H A 42 SER O 1.0 0.2 2.0 50 50 A 42 SER O A 45 PHE N 1.0 0.3 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 4 MET C A 5 THR N A 5 THR CA A 5 THR C 1.0 -167.4 -47.8 PHI 2 2 A 5 THR N A 5 THR CA A 5 THR C A 6 VAL N 1.0 110.1 174.1 PSI 3 3 A 5 THR C A 6 VAL N A 6 VAL CA A 6 VAL C 1.0 -174.8 -87.0 PHI 4 4 A 6 VAL N A 6 VAL CA A 6 VAL C A 7 THR N 1.0 133.2 179.8 PSI 5 5 A 6 VAL C A 7 THR N A 7 THR CA A 7 THR C 1.0 -112.8 -63.0 PHI 6 6 A 7 THR N A 7 THR CA A 7 THR C A 8 GLN N 1.0 159.3 179.3 PSI 7 7 A 8 GLN C A 9 SER N A 9 SER CA A 9 SER C 1.0 -76.3 -52.3 PHI 8 8 A 9 SER N A 9 SER CA A 9 SER C A 10 GLN N 1.0 -59.0 -22.8 PSI 9 9 A 9 SER C A 10 GLN N A 10 GLN CA A 10 GLN C 1.0 -79.6 -45.6 PHI 10 10 A 10 GLN N A 10 GLN CA A 10 GLN C A 11 LEU N 1.0 -54.6 -24.6 PSI 11 11 A 10 GLN C A 11 LEU N A 11 LEU CA A 11 LEU C 1.0 -71.6 -51.6 PHI 12 12 A 11 LEU N A 11 LEU CA A 11 LEU C A 12 GLU N 1.0 -53.4 -33.4 PSI 13 13 A 11 LEU C A 12 GLU N A 12 GLU CA A 12 GLU C 1.0 -70.9 -50.9 PHI 14 14 A 12 GLU N A 12 GLU CA A 12 GLU C A 13 LEU N 1.0 -61.5 -18.9 PSI 15 15 A 12 GLU C A 13 LEU N A 13 LEU CA A 13 LEU C 1.0 -73.7 -53.7 PHI 16 16 A 13 LEU N A 13 LEU CA A 13 LEU C A 14 LEU N 1.0 -57.3 -29.5 PSI 17 17 A 13 LEU C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -74.0 -54.0 PHI 18 18 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 ILE N 1.0 -50.7 -27.7 PSI 19 19 A 14 LEU C A 15 ILE N A 15 ILE CA A 15 ILE C 1.0 -75.4 -52.4 PHI 20 20 A 15 ILE N A 15 ILE CA A 15 ILE C A 16 ARG N 1.0 -49.8 -29.8 PSI 21 21 A 15 ILE C A 16 ARG N A 16 ARG CA A 16 ARG C 1.0 -72.5 -52.5 PHI 22 22 A 16 ARG N A 16 ARG CA A 16 ARG C A 17 ASN N 1.0 -59.7 -18.7 PSI 23 23 A 16 ARG C A 17 ASN N A 17 ASN CA A 17 ASN C 1.0 -83.7 -55.3 PHI 24 24 A 17 ASN N A 17 ASN CA A 17 ASN C A 18 ALA N 1.0 -54.7 -12.9 PSI 25 25 A 17 ASN C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -113.5 -52.7 PHI 26 26 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 PHE N 1.0 -77.7 23.9 PSI 27 27 A 18 ALA C A 19 PHE N A 19 PHE CA A 19 PHE C 1.0 -165.4 -61.2 PHI 28 28 A 19 PHE N A 19 PHE CA A 19 PHE C A 20 PRO N 1.0 26.9 141.3 PSI 29 29 A 20 PRO C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -117.7 -71.9 PHI 30 30 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 ALA N 1.0 -38.6 35.2 PSI 31 31 A 21 GLU C A 22 ALA N A 22 ALA CA A 22 ALA C 1.0 -176.3 -46.9 PHI 32 32 A 22 ALA N A 22 ALA CA A 22 ALA C A 23 GLU N 1.0 129.8 168.4 PSI 33 33 A 22 ALA C A 23 GLU N A 23 GLU CA A 23 GLU C 1.0 -145.6 -48.8 PHI 34 34 A 23 GLU N A 23 GLU CA A 23 GLU C A 24 ILE N 1.0 99.0 150.6 PSI 35 35 A 23 GLU C A 24 ILE N A 24 ILE CA A 24 ILE C 1.0 -154.2 -88.4 PHI 36 36 A 24 ILE N A 24 ILE CA A 24 ILE C A 25 THR N 1.0 111.1 159.7 PSI 37 37 A 24 ILE C A 25 THR N A 25 THR CA A 25 THR C 1.0 -135.1 -85.9 PHI 38 38 A 25 THR N A 25 THR CA A 25 THR C A 26 VAL N 1.0 105.8 135.8 PSI 39 39 A 25 THR C A 26 VAL N A 26 VAL CA A 26 VAL C 1.0 -136.9 -83.3 PHI 40 40 A 26 VAL N A 26 VAL CA A 26 VAL C A 27 THR N 1.0 106.7 143.7 PSI 41 41 A 26 VAL C A 27 THR N A 27 THR CA A 27 THR C 1.0 -145.1 -93.7 PHI 42 42 A 27 THR N A 27 THR CA A 27 THR C A 28 SER N 1.0 105.7 165.7 PSI 43 43 A 27 THR C A 28 SER N A 28 SER CA A 28 SER C 1.0 -113.5 -78.9 PHI 44 44 A 28 SER N A 28 SER CA A 28 SER C A 29 LEU N 1.0 98.2 153.4 PSI 45 45 A 34 ASN C A 35 HIS N A 35 HIS CA A 35 HIS C 1.0 -173.1 -57.9 PHI 46 46 A 35 HIS N A 35 HIS CA A 35 HIS C A 36 TYR N 1.0 79.5 202.7 PSI 47 47 A 35 HIS C A 36 TYR N A 36 TYR CA A 36 TYR C 1.0 -153.4 -104.0 PHI 48 48 A 36 TYR N A 36 TYR CA A 36 TYR C A 37 SER N 1.0 127.3 173.5 PSI 49 49 A 36 TYR C A 37 SER N A 37 SER CA A 37 SER C 1.0 -152.0 -72.0 PHI 50 50 A 37 SER N A 37 SER CA A 37 SER C A 38 ILE N 1.0 118.9 178.3 PSI 51 51 A 37 SER C A 38 ILE N A 38 ILE CA A 38 ILE C 1.0 -180.0 -100.0 PHI 52 52 A 38 ILE N A 38 ILE CA A 38 ILE C A 39 LYS N 1.0 100.0 180.0 PSI 53 53 A 38 ILE C A 39 LYS N A 39 LYS CA A 39 LYS C 1.0 -147.0 -86.2 PHI 54 54 A 39 LYS N A 39 LYS CA A 39 LYS C A 40 VAL N 1.0 108.9 140.7 PSI 55 55 A 39 LYS C A 40 VAL N A 40 VAL CA A 40 VAL C 1.0 -146.0 -90.4 PHI 56 56 A 40 VAL N A 40 VAL CA A 40 VAL C A 41 ILE N 1.0 104.6 142.2 PSI 57 57 A 40 VAL C A 41 ILE N A 41 ILE CA A 41 ILE C 1.0 -142.8 -81.2 PHI 58 58 A 41 ILE N A 41 ILE CA A 41 ILE C A 42 SER N 1.0 95.6 179.0 PSI 59 59 A 41 ILE C A 42 SER N A 42 SER CA A 42 SER C 1.0 -179.7 -58.3 PHI 60 60 A 42 SER N A 42 SER CA A 42 SER C A 43 SER N 1.0 100.4 147.6 PSI 61 61 A 43 SER C A 44 GLN N A 44 GLN CA A 44 GLN C 1.0 -88.5 -41.5 PHI 62 62 A 44 GLN N A 44 GLN CA A 44 GLN C A 45 PHE N 1.0 -48.5 -1.9 PSI 63 63 A 44 GLN C A 45 PHE N A 45 PHE CA A 45 PHE C 1.0 -116.3 -81.9 PHI 64 64 A 45 PHE N A 45 PHE CA A 45 PHE C A 46 GLN N 1.0 -10.4 34.4 PSI 65 65 A 45 PHE C A 46 GLN N A 46 GLN CA A 46 GLN C 1.0 -123.0 -23.8 PHI 66 66 A 46 GLN N A 46 GLN CA A 46 GLN C A 47 GLY N 1.0 116.6 143.2 PSI 67 67 A 46 GLN C A 47 GLY N A 47 GLY CA A 47 GLY C 1.0 58.2 98.0 PHI 68 68 A 47 GLY N A 47 GLY CA A 47 GLY C A 48 LYS N 1.0 -33.8 28.2 PSI 69 69 A 47 GLY C A 48 LYS N A 48 LYS CA A 48 LYS C 1.0 -188.2 -50.2 PHI 70 70 A 48 LYS N A 48 LYS CA A 48 LYS C A 49 SER N 1.0 109.2 188.8 PSI 71 71 A 48 LYS C A 49 SER N A 49 SER CA A 49 SER C 1.0 -162.2 -35.2 PHI 72 72 A 49 SER N A 49 SER CA A 49 SER C A 50 LYS N 1.0 132.5 188.3 PSI 73 73 A 49 SER C A 50 LYS N A 50 LYS CA A 50 LYS C 1.0 -76.8 -40.4 PHI 74 74 A 50 LYS N A 50 LYS CA A 50 LYS C A 51 LEU N 1.0 -61.4 -25.8 PSI 75 75 A 50 LYS C A 51 LEU N A 51 LEU CA A 51 LEU C 1.0 -70.2 -48.6 PHI 76 76 A 51 LEU N A 51 LEU CA A 51 LEU C A 52 GLU N 1.0 -59.0 -18.2 PSI 77 77 A 51 LEU C A 52 GLU N A 52 GLU CA A 52 GLU C 1.0 -73.4 -53.4 PHI 78 78 A 52 GLU N A 52 GLU CA A 52 GLU C A 53 GLN N 1.0 -55.5 -28.7 PSI 79 79 A 52 GLU C A 53 GLN N A 53 GLN CA A 53 GLN C 1.0 -78.5 -54.5 PHI 80 80 A 53 GLN N A 53 GLN CA A 53 GLN C A 54 HIS N 1.0 -47.1 -27.1 PSI 81 81 A 53 GLN C A 54 HIS N A 54 HIS CA A 54 HIS C 1.0 -79.2 -53.2 PHI 82 82 A 54 HIS N A 54 HIS CA A 54 HIS C A 55 ARG N 1.0 -53.3 -29.7 PSI 83 83 A 54 HIS C A 55 ARG N A 55 ARG CA A 55 ARG C 1.0 -72.9 -52.3 PHI 84 84 A 55 ARG N A 55 ARG CA A 55 ARG C A 56 MET N 1.0 -53.9 -32.7 PSI 85 85 A 55 ARG C A 56 MET N A 56 MET CA A 56 MET C 1.0 -74.2 -51.8 PHI 86 86 A 56 MET N A 56 MET CA A 56 MET C A 57 ILE N 1.0 -53.6 -33.6 PSI 87 87 A 56 MET C A 57 ILE N A 57 ILE CA A 57 ILE C 1.0 -79.8 -55.4 PHI 88 88 A 57 ILE N A 57 ILE CA A 57 ILE C A 58 TYR N 1.0 -58.8 -21.6 PSI 89 89 A 57 ILE C A 58 TYR N A 58 TYR CA A 58 TYR C 1.0 -71.5 -51.5 PHI 90 90 A 58 TYR N A 58 TYR CA A 58 TYR C A 59 LYS N 1.0 -57.2 -32.0 PSI 91 91 A 58 TYR C A 59 LYS N A 59 LYS CA A 59 LYS C 1.0 -85.7 -40.3 PHI 92 92 A 59 LYS N A 59 LYS CA A 59 LYS C A 60 VAL N 1.0 -66.9 -23.7 PSI 93 93 A 59 LYS C A 60 VAL N A 60 VAL CA A 60 VAL C 1.0 -112.4 -36.4 PHI 94 94 A 60 VAL N A 60 VAL CA A 60 VAL C A 61 LEU N 1.0 -61.3 -21.3 PSI 95 95 A 60 VAL C A 61 LEU N A 61 LEU CA A 61 LEU C 1.0 -125.0 -60.8 PHI 96 96 A 61 LEU N A 61 LEU CA A 61 LEU C A 62 ASP N 1.0 -38.5 37.3 PSI 97 97 A 70 GLN C A 71 ILE N A 71 ILE CA A 71 ILE C 1.0 -137.6 -97.4 PHI 98 98 A 71 ILE N A 71 ILE CA A 71 ILE C A 72 GLN N 1.0 119.5 139.5 PSI 99 99 A 71 ILE C A 72 GLN N A 72 GLN CA A 72 GLN C 1.0 -142.5 -106.3 PHI 100 100 A 72 GLN N A 72 GLN CA A 72 GLN C A 73 THR N 1.0 108.7 166.9 PSI 101 101 A 72 GLN C A 73 THR N A 73 THR CA A 73 THR C 1.0 -158.4 -88.6 PHI 102 102 A 73 THR N A 73 THR CA A 73 THR C A 74 GLY N 1.0 120.2 194.6 PSI 103 103 A 74 GLY C A 75 CYS N A 75 CYS CA A 75 CYS C 1.0 -133.9 -80.9 PHI 104 104 A 75 CYS N A 75 CYS CA A 75 CYS C A 76 LYS N 1.0 116.2 164.6 PSI stop_ save_