data_nef_c25800_2n7c save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 25779 NCBI XP_001351730.2 PDB 2N3L PDB 2N7C stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A -2 GLY start . false 2 A -1 SER middle . . 3 A 0 HIS middle . . 4 A 1 MET middle . . 5 A 2 VAL middle . . 6 A 3 ILE middle . . 7 A 4 ARG middle . . 8 A 5 GLU middle . . 9 A 6 SER middle . . 10 A 7 VAL middle . . 11 A 8 SER middle . . 12 A 9 ARG middle . . 13 A 10 ILE middle . . 14 A 11 TYR middle . . 15 A 12 VAL middle . . 16 A 13 GLY middle . false 17 A 14 ASN middle . . 18 A 15 LEU middle . . 19 A 16 PRO middle . false 20 A 17 SER middle . . 21 A 18 HIS middle . . 22 A 19 VAL middle . . 23 A 20 SER middle . . 24 A 21 SER middle . . 25 A 22 ARG middle . . 26 A 23 ASP middle . . 27 A 24 VAL middle . . 28 A 25 GLU middle . . 29 A 26 ASN middle . . 30 A 27 GLU middle . . 31 A 28 PHE middle . . 32 A 29 ARG middle . . 33 A 30 LYS middle . . 34 A 31 TYR middle . . 35 A 32 GLY middle . false 36 A 33 ASN middle . . 37 A 34 ILE middle . . 38 A 35 LEU middle . . 39 A 36 LYS middle . . 40 A 37 CYS middle . . 41 A 38 ASP middle . . 42 A 39 VAL middle . . 43 A 40 LYS middle . . 44 A 41 LYS middle . . 45 A 42 THR middle . . 46 A 43 VAL middle . . 47 A 44 SER middle . . 48 A 45 GLY middle . false 49 A 46 ALA middle . . 50 A 47 ALA middle . . 51 A 48 PHE middle . . 52 A 49 ALA middle . . 53 A 50 PHE middle . . 54 A 51 ILE middle . . 55 A 52 GLU middle . . 56 A 53 PHE middle . . 57 A 54 GLU middle . . 58 A 55 ASP middle . . 59 A 56 ALA middle . . 60 A 57 ARG middle . . 61 A 58 ASP middle . . 62 A 59 ALA middle . . 63 A 60 ALA middle . . 64 A 61 ASP middle . . 65 A 62 ALA middle . . 66 A 63 ILE middle . . 67 A 64 LYS middle . . 68 A 65 GLU middle . . 69 A 66 LYS middle . . 70 A 67 ASP middle . . 71 A 68 GLY middle . false 72 A 69 CYS middle . . 73 A 70 ASP middle . . 74 A 71 PHE middle . . 75 A 72 GLU middle . . 76 A 73 GLY middle . false 77 A 74 ASN middle . . 78 A 75 LYS middle . . 79 A 76 LEU middle . . 80 A 77 ARG middle . . 81 A 78 VAL middle . . 82 A 79 GLU middle . . 83 A 80 VAL middle . . 84 A 81 PRO middle . false 85 A 82 PHE middle . . 86 A 83 ASN middle . . 87 A 84 ALA middle . . 88 A 85 ARG middle . . 89 A 86 GLU end . . 90 B 101 A start . . 91 B 102 C middle . . 92 B 103 A middle . . 93 B 104 U middle . . 94 B 105 C middle . . 95 B 106 A 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 0 HIS HA H 1 4.59 0.02 A 0 HIS C C 13 174 0.3 A 0 HIS CA C 13 55.3 0.3 A 0 HIS CB C 13 29.3 0.3 A 1 MET H H 1 8.31 0.02 A 1 MET HA H 1 4.34 0.02 A 1 MET HGy H 1 2.41 0.02 A 1 MET HGx H 1 2.36 0.02 A 1 MET C C 13 175.6 0.3 A 1 MET CA C 13 55.6 0.3 A 1 MET CB C 13 32.8 0.3 A 1 MET CG C 13 31.7 0.3 A 1 MET N N 15 122.4 0.3 A 2 VAL H H 1 8.18 0.02 A 2 VAL HA H 1 3.96 0.02 A 2 VAL HB H 1 1.87 0.02 A 2 VAL C C 13 175.6 0.3 A 2 VAL CA C 13 62.3 0.3 A 2 VAL CB C 13 32.3 0.3 A 2 VAL CG1 C 13 20.9 0.3 A 2 VAL CG2 C 13 20.7 0.3 A 2 VAL N N 15 123.2 0.3 A 3 ILE H H 1 8.23 0.02 A 3 ILE HA H 1 4.05 0.02 A 3 ILE HB H 1 1.73 0.02 A 3 ILE HG1y H 1 1.36 0.02 A 3 ILE HG1x H 1 1.06 0.02 A 3 ILE C C 13 175.8 0.3 A 3 ILE CA C 13 60.7 0.3 A 3 ILE CB C 13 38.3 0.3 A 3 ILE CD1 C 13 12.5 0.3 A 3 ILE CG1 C 13 27.1 0.3 A 3 ILE CG2 C 13 17.3 0.3 A 3 ILE N N 15 126.2 0.3 A 4 ARG H H 1 8.36 0.02 A 4 ARG HA H 1 4.18 0.02 A 4 ARG HGy H 1 1.53 0.02 A 4 ARG HGx H 1 1.47 0.02 A 4 ARG C C 13 175.9 0.3 A 4 ARG CA C 13 56 0.3 A 4 ARG CB C 13 30.7 0.3 A 4 ARG CD C 13 43.2 0.3 A 4 ARG CG C 13 27.1 0.3 A 4 ARG N N 15 126.1 0.3 A 5 GLU H H 1 8.4 0.02 A 5 GLU HA H 1 4.14 0.02 A 5 GLU HBy H 1 1.95 0.02 A 5 GLU HBx H 1 1.83 0.02 A 5 GLU C C 13 176.1 0.3 A 5 GLU CA C 13 56.6 0.3 A 5 GLU CB C 13 30.3 0.3 A 5 GLU CG C 13 36 0.3 A 5 GLU N N 15 122.2 0.3 A 6 SER H H 1 8.27 0.02 A 6 SER HA H 1 4.35 0.02 A 6 SER C C 13 174.3 0.3 A 6 SER CA C 13 58.2 0.3 A 6 SER CB C 13 63.8 0.3 A 6 SER N N 15 116.2 0.3 A 7 VAL H H 1 7.84 0.02 A 7 VAL HA H 1 4.3 0.02 A 7 VAL HB H 1 2.13 0.02 A 7 VAL C C 13 175.5 0.3 A 7 VAL CA C 13 61.7 0.3 A 7 VAL CB C 13 32.8 0.3 A 7 VAL CG1 C 13 20.8 0.3 A 7 VAL CG2 C 13 19.9 0.3 A 7 VAL N N 15 119.8 0.3 A 8 SER H H 1 8.53 0.02 A 8 SER HA H 1 4.24 0.02 A 8 SER HBy H 1 3.96 0.02 A 8 SER HBx H 1 3.53 0.02 A 8 SER C C 13 172.5 0.3 A 8 SER CA C 13 58.5 0.3 A 8 SER CB C 13 63.6 0.3 A 8 SER N N 15 117.8 0.3 A 9 ARG H H 1 7.35 0.02 A 9 ARG HA H 1 5.5 0.02 A 9 ARG HGy H 1 1.43 0.02 A 9 ARG HGx H 1 1.34 0.02 A 9 ARG C C 13 175 0.3 A 9 ARG CA C 13 54.3 0.3 A 9 ARG CB C 13 33.4 0.3 A 9 ARG CD C 13 43.7 0.3 A 9 ARG CG C 13 28.2 0.3 A 9 ARG N N 15 123 0.3 A 10 ILE H H 1 8.83 0.02 A 10 ILE HA H 1 4.82 0.02 A 10 ILE HB H 1 1.69 0.02 A 10 ILE HG1y H 1 1.08 0.02 A 10 ILE HG1x H 1 0.85 0.02 A 10 ILE C C 13 173 0.3 A 10 ILE CA C 13 59.4 0.3 A 10 ILE CB C 13 40.9 0.3 A 10 ILE CD1 C 13 14.5 0.3 A 10 ILE CG1 C 13 24 0.3 A 10 ILE CG2 C 13 18.4 0.3 A 10 ILE N N 15 114 0.3 A 11 TYR H H 1 8.69 0.02 A 11 TYR HA H 1 4.93 0.02 A 11 TYR HBy H 1 2.62 0.02 A 11 TYR HBx H 1 2.56 0.02 A 11 TYR HD2 H 1 6.05 0.02 A 11 TYR HE2 H 1 5.82 0.02 A 11 TYR C C 13 173 0.3 A 11 TYR CA C 13 56 0.3 A 11 TYR CB C 13 40.9 0.3 A 11 TYR CD2 C 13 132.5 0.3 A 11 TYR CE2 C 13 117.8 0.3 A 11 TYR N N 15 123.4 0.3 A 12 VAL H H 1 8.37 0.02 A 12 VAL HA H 1 4.56 0.02 A 12 VAL HB H 1 1.51 0.02 A 12 VAL C C 13 174.1 0.3 A 12 VAL CA C 13 60.2 0.3 A 12 VAL CB C 13 33.4 0.3 A 12 VAL CG1 C 13 20.7 0.3 A 12 VAL CG2 C 13 22.5 0.3 A 12 VAL N N 15 126.3 0.3 A 13 GLY H H 1 9.35 0.02 A 13 GLY HAy H 1 4.42 0.02 A 13 GLY HAx H 1 3.48 0.02 A 13 GLY C C 13 173.1 0.3 A 13 GLY CA C 13 43.3 0.3 A 13 GLY N N 15 113 0.3 A 14 ASN H H 1 8.8 0.02 A 14 ASN HA H 1 4.28 0.02 A 14 ASN HBy H 1 3.63 0.02 A 14 ASN HBx H 1 2.46 0.02 A 14 ASN C C 13 175.8 0.3 A 14 ASN CA C 13 53.6 0.3 A 14 ASN CB C 13 37.7 0.3 A 14 ASN N N 15 113.9 0.3 A 15 LEU H H 1 7.15 0.02 A 15 LEU HA H 1 4.99 0.02 A 15 LEU HBy H 1 1.15 0.02 A 15 LEU HBx H 1 0.98 0.02 A 15 LEU CA C 13 55.6 0.3 A 15 LEU CB C 13 41.6 0.3 A 15 LEU CD1 C 13 26.7 0.3 A 15 LEU N N 15 115.8 0.3 A 16 PRO HA H 1 4.07 0.02 A 16 PRO HBy H 1 2.33 0.02 A 16 PRO HBx H 1 1.96 0.02 A 16 PRO HDy H 1 3.68 0.02 A 16 PRO HDx H 1 3.17 0.02 A 16 PRO HGy H 1 1.28 0.02 A 16 PRO HGx H 1 1.24 0.02 A 16 PRO C C 13 171.48 0.3 A 16 PRO CA C 13 62.5 0.3 A 16 PRO CB C 13 32 0.3 A 16 PRO CD C 13 50 0.3 A 16 PRO CG C 13 28.9 0.3 A 17 SER H H 1 8.47 0.02 A 17 SER HA H 1 4.3 0.02 A 17 SER C C 13 174.2 0.3 A 17 SER CA C 13 58.2 0.3 A 17 SER CB C 13 63.9 0.3 A 17 SER N N 15 115.2 0.3 A 18 HIS H H 1 8.54 0.02 A 18 HIS HA H 1 4.55 0.02 A 18 HIS HBy H 1 3.13 0.02 A 18 HIS HBx H 1 3.03 0.02 A 18 HIS C C 13 175.1 0.3 A 18 HIS CA C 13 55.5 0.3 A 18 HIS CB C 13 29.3 0.3 A 18 HIS N N 15 120.8 0.3 A 19 VAL H H 1 6.65 0.02 A 19 VAL HA H 1 4.26 0.02 A 19 VAL HB H 1 2.08 0.02 A 19 VAL C C 13 174 0.3 A 19 VAL CA C 13 61.9 0.3 A 19 VAL CB C 13 32.6 0.3 A 19 VAL CG1 C 13 22.2 0.3 A 19 VAL CG2 C 13 22.5 0.3 A 19 VAL N N 15 115.7 0.3 A 20 SER H H 1 8.93 0.02 A 20 SER HA H 1 4.71 0.02 A 20 SER HBy H 1 4.22 0.02 A 20 SER HBx H 1 3.92 0.02 A 20 SER C C 13 175.9 0.3 A 20 SER CA C 13 55.8 0.3 A 20 SER CB C 13 66.6 0.3 A 20 SER N N 15 118.8 0.3 A 21 SER H H 1 9.08 0.02 A 21 SER HA H 1 3.88 0.02 A 21 SER C C 13 176.2 0.3 A 21 SER CA C 13 62.3 0.3 A 21 SER CB C 13 66.8 0.3 A 21 SER N N 15 117.1 0.3 A 22 ARG H H 1 7.94 0.02 A 22 ARG HA H 1 3.99 0.02 A 22 ARG HBy H 1 1.73 0.02 A 22 ARG HBx H 1 1.63 0.02 A 22 ARG C C 13 177.9 0.3 A 22 ARG CA C 13 58.7 0.3 A 22 ARG CB C 13 29.6 0.3 A 22 ARG CD C 13 43.2 0.3 A 22 ARG CG C 13 26.7 0.3 A 22 ARG N N 15 121.2 0.3 A 23 ASP H H 1 7.48 0.02 A 23 ASP HA H 1 4.39 0.02 A 23 ASP HBy H 1 2.99 0.02 A 23 ASP HBx H 1 2.73 0.02 A 23 ASP C C 13 179.2 0.3 A 23 ASP CA C 13 57.3 0.3 A 23 ASP CB C 13 41 0.3 A 23 ASP N N 15 118.8 0.3 A 24 VAL H H 1 7.45 0.02 A 24 VAL HA H 1 3.37 0.02 A 24 VAL HB H 1 1.76 0.02 A 24 VAL C C 13 177.5 0.3 A 24 VAL CA C 13 66.9 0.3 A 24 VAL CB C 13 31.4 0.3 A 24 VAL CG1 C 13 24.3 0.3 A 24 VAL CG2 C 13 24.2 0.3 A 24 VAL N N 15 119.5 0.3 A 25 GLU H H 1 8.58 0.02 A 25 GLU HA H 1 3.57 0.02 A 25 GLU HBy H 1 2.09 0.02 A 25 GLU HBx H 1 1.97 0.02 A 25 GLU C C 13 178.4 0.3 A 25 GLU CA C 13 60.6 0.3 A 25 GLU CB C 13 29.6 0.3 A 25 GLU CG C 13 36.6 0.3 A 25 GLU N N 15 121.4 0.3 A 26 ASN H H 1 8.18 0.02 A 26 ASN HA H 1 4.32 0.02 A 26 ASN HBy H 1 2.92 0.02 A 26 ASN HBx H 1 2.8 0.02 A 26 ASN C C 13 177.4 0.3 A 26 ASN CA C 13 55.9 0.3 A 26 ASN CB C 13 37.9 0.3 A 26 ASN N N 15 114.8 0.3 A 27 GLU H H 1 7.34 0.02 A 27 GLU HA H 1 4.14 0.02 A 27 GLU HGy H 1 1.78 0.02 A 27 GLU HGx H 1 1.49 0.02 A 27 GLU C C 13 176.4 0.3 A 27 GLU CA C 13 57.4 0.3 A 27 GLU CB C 13 29.4 0.3 A 27 GLU CG C 13 34.5 0.3 A 27 GLU N N 15 118.9 0.3 A 28 PHE H H 1 7.66 0.02 A 28 PHE HA H 1 4.55 0.02 A 28 PHE HBy H 1 3.42 0.02 A 28 PHE HBx H 1 2.61 0.02 A 28 PHE HD1 H 1 7.42 0.02 A 28 PHE HE1 H 1 6.71 0.02 A 28 PHE C C 13 176.3 0.3 A 28 PHE CA C 13 60 0.3 A 28 PHE CB C 13 40.8 0.3 A 28 PHE CD1 C 13 131.9 0.3 A 28 PHE CE1 C 13 130 0.3 A 28 PHE N N 15 114.1 0.3 A 29 ARG H H 1 8.12 0.02 A 29 ARG HA H 1 4.41 0.02 A 29 ARG HBy H 1 2.02 0.02 A 29 ARG HBx H 1 1.82 0.02 A 29 ARG HGy H 1 1.74 0.02 A 29 ARG HGx H 1 1.58 0.02 A 29 ARG C C 13 177.1 0.3 A 29 ARG CA C 13 58.2 0.3 A 29 ARG CB C 13 29.3 0.3 A 29 ARG CD C 13 43.6 0.3 A 29 ARG CG C 13 27 0.3 A 29 ARG N N 15 121.7 0.3 A 30 LYS H H 1 7.63 0.02 A 30 LYS HA H 1 3.83 0.02 A 30 LYS HBy H 1 1.35 0.02 A 30 LYS HBx H 1 1.11 0.02 A 30 LYS HGy H 1 0.73 0.02 A 30 LYS HGx H 1 0.26 0.02 A 30 LYS C C 13 177.1 0.3 A 30 LYS CA C 13 57.8 0.3 A 30 LYS CB C 13 31.1 0.3 A 30 LYS CD C 13 29.8 0.3 A 30 LYS CE C 13 41.6 0.3 A 30 LYS CG C 13 23 0.3 A 30 LYS N N 15 117.2 0.3 A 31 TYR H H 1 7.41 0.02 A 31 TYR HA H 1 4.15 0.02 A 31 TYR HBy H 1 3.13 0.02 A 31 TYR HBx H 1 2.71 0.02 A 31 TYR HD1 H 1 7.3 0.02 A 31 TYR HE1 H 1 6.35 0.02 A 31 TYR C C 13 174.4 0.3 A 31 TYR CA C 13 59.9 0.3 A 31 TYR CB C 13 37.9 0.3 A 31 TYR CD1 C 13 132.9 0.3 A 31 TYR CE1 C 13 117.7 0.3 A 31 TYR N N 15 117.1 0.3 A 32 GLY H H 1 7.24 0.02 A 32 GLY HAy H 1 4.48 0.02 A 32 GLY HAx H 1 3.64 0.02 A 32 GLY C C 13 176.75 0.3 A 32 GLY CA C 13 44.5 0.3 A 32 GLY N N 15 104.1 0.3 A 33 ASN H H 1 8.46 0.02 A 33 ASN HA H 1 4.44 0.02 A 33 ASN HBy H 1 2.69 0.02 A 33 ASN HBx H 1 2.65 0.02 A 33 ASN C C 13 175.5 0.3 A 33 ASN CA C 13 54.3 0.3 A 33 ASN CB C 13 38.4 0.3 A 33 ASN N N 15 115.3 0.3 A 34 ILE H H 1 8.05 0.02 A 34 ILE HA H 1 3.79 0.02 A 34 ILE HB H 1 1.42 0.02 A 34 ILE C C 13 175.6 0.3 A 34 ILE CA C 13 61.3 0.3 A 34 ILE CB C 13 40 0.3 A 34 ILE CD1 C 13 17.6 0.3 A 34 ILE CG1 C 13 28.1 0.3 A 34 ILE CG2 C 13 20.2 0.3 A 34 ILE N N 15 126.7 0.3 A 35 LEU H H 1 8.78 0.02 A 35 LEU HA H 1 4.16 0.02 A 35 LEU HG H 1 1.27 0.02 A 35 LEU C C 13 177.2 0.3 A 35 LEU CA C 13 55.5 0.3 A 35 LEU CB C 13 42.7 0.3 A 35 LEU CD1 C 13 25.8 0.3 A 35 LEU CD2 C 13 22.2 0.3 A 35 LEU CG C 13 27.2 0.3 A 35 LEU N N 15 127.4 0.3 A 36 LYS H H 1 7.11 0.02 A 36 LYS HA H 1 4.24 0.02 A 36 LYS HBy H 1 1.56 0.02 A 36 LYS HBx H 1 1.52 0.02 A 36 LYS C C 13 173.6 0.3 A 36 LYS CA C 13 55.9 0.3 A 36 LYS CB C 13 36.6 0.3 A 36 LYS CD C 13 28.8 0.3 A 36 LYS CE C 13 42.1 0.3 A 36 LYS CG C 13 24.7 0.3 A 36 LYS N N 15 117 0.3 A 37 CYS H H 1 8.61 0.02 A 37 CYS HA H 1 4.7 0.02 A 37 CYS HBy H 1 2.79 0.02 A 37 CYS HBx H 1 2.23 0.02 A 37 CYS C C 13 171.6 0.3 A 37 CYS CA C 13 57.9 0.3 A 37 CYS CB C 13 27.1 0.3 A 37 CYS N N 15 125.4 0.3 A 38 ASP H H 1 8.29 0.02 A 38 ASP HA H 1 4.95 0.02 A 38 ASP HBy H 1 2.57 0.02 A 38 ASP HBx H 1 2.4 0.02 A 38 ASP C C 13 174.3 0.3 A 38 ASP CA C 13 53.2 0.3 A 38 ASP CB C 13 44.3 0.3 A 38 ASP N N 15 128.2 0.3 A 39 VAL H H 1 8.38 0.02 A 39 VAL HA H 1 4.3 0.02 A 39 VAL HB H 1 1.69 0.02 A 39 VAL C C 13 175 0.3 A 39 VAL CA C 13 61.7 0.3 A 39 VAL CB C 13 33.1 0.3 A 39 VAL CG1 C 13 22.5 0.3 A 39 VAL CG2 C 13 21.1 0.3 A 39 VAL N N 15 123.5 0.3 A 40 LYS H H 1 8.68 0.02 A 40 LYS HA H 1 4.32 0.02 A 40 LYS HBy H 1 1.19 0.02 A 40 LYS HBx H 1 0.32 0.02 A 40 LYS C C 13 173.7 0.3 A 40 LYS CA C 13 53.9 0.3 A 40 LYS CB C 13 35.5 0.3 A 40 LYS CD C 13 28.8 0.3 A 40 LYS CE C 13 42 0.3 A 40 LYS CG C 13 24.8 0.3 A 40 LYS N N 15 129.1 0.3 A 41 LYS H H 1 7.9 0.02 A 41 LYS HA H 1 4.98 0.02 A 41 LYS HBy H 1 1.71 0.02 A 41 LYS HBx H 1 1.54 0.02 A 41 LYS C C 13 177.8 0.3 A 41 LYS CA C 13 54.6 0.3 A 41 LYS CB C 13 35 0.3 A 41 LYS CD C 13 28.5 0.3 A 41 LYS CE C 13 42.4 0.3 A 41 LYS CG C 13 25 0.3 A 41 LYS N N 15 117.3 0.3 A 42 THR H H 1 8.73 0.02 A 42 THR HA H 1 4.68 0.02 A 42 THR HB H 1 4.59 0.02 A 42 THR C C 13 176.9 0.3 A 42 THR CA C 13 60.2 0.3 A 42 THR CB C 13 71.6 0.3 A 42 THR CG2 C 13 21.9 0.3 A 42 THR N N 15 113.2 0.3 A 43 VAL H H 1 8.73 0.02 A 43 VAL HA H 1 3.92 0.02 A 43 VAL HB H 1 2.14 0.02 A 43 VAL C C 13 177 0.3 A 43 VAL CA C 13 64.7 0.3 A 43 VAL CB C 13 31.8 0.3 A 43 VAL CG1 C 13 24 0.3 A 43 VAL CG2 C 13 20.9 0.3 A 43 VAL N N 15 120 0.3 A 44 SER H H 1 7.76 0.02 A 44 SER HA H 1 4.36 0.02 A 44 SER C C 13 174.8 0.3 A 44 SER CA C 13 58.4 0.3 A 44 SER CB C 13 63.5 0.3 A 44 SER N N 15 113.4 0.3 A 45 GLY H H 1 7.82 0.02 A 45 GLY HAy H 1 4.2 0.02 A 45 GLY HAx H 1 3.65 0.02 A 45 GLY C C 13 173.5 0.3 A 45 GLY CA C 13 45.3 0.3 A 45 GLY N N 15 110.2 0.3 A 46 ALA H H 1 7.44 0.02 A 46 ALA HA H 1 4.39 0.02 A 46 ALA C C 13 176.1 0.3 A 46 ALA CA C 13 51.9 0.3 A 46 ALA CB C 13 19.8 0.3 A 46 ALA N N 15 123.9 0.3 A 47 ALA H H 1 8.35 0.02 A 47 ALA HA H 1 5.2 0.02 A 47 ALA C C 13 176.1 0.3 A 47 ALA CA C 13 50.9 0.3 A 47 ALA CB C 13 21.9 0.3 A 47 ALA N N 15 123.1 0.3 A 48 PHE H H 1 8.55 0.02 A 48 PHE HA H 1 5.03 0.02 A 48 PHE HBy H 1 2.92 0.02 A 48 PHE HBx H 1 2.65 0.02 A 48 PHE HD1 H 1 7.03 0.02 A 48 PHE HE1 H 1 6.59 0.02 A 48 PHE C C 13 171.6 0.3 A 48 PHE CA C 13 55.7 0.3 A 48 PHE CB C 13 41.2 0.3 A 48 PHE CD1 C 13 131.6 0.3 A 48 PHE CE1 C 13 132.8 0.3 A 48 PHE N N 15 118.7 0.3 A 49 ALA H H 1 9.24 0.02 A 49 ALA HA H 1 5.33 0.02 A 49 ALA C C 13 175.5 0.3 A 49 ALA CA C 13 49.3 0.3 A 49 ALA CB C 13 23.7 0.3 A 49 ALA N N 15 120.4 0.3 A 50 PHE H H 1 7.92 0.02 A 50 PHE HA H 1 5.6 0.02 A 50 PHE HD1 H 1 7.29 0.02 A 50 PHE HE1 H 1 7.13 0.02 A 50 PHE C C 13 176 0.3 A 50 PHE CA C 13 56.5 0.3 A 50 PHE CB C 13 42.2 0.3 A 50 PHE CD1 C 13 131.9 0.3 A 50 PHE CE1 C 13 131.6 0.3 A 50 PHE N N 15 115 0.3 A 51 ILE H H 1 8.49 0.02 A 51 ILE HA H 1 4.45 0.02 A 51 ILE HB H 1 1.15 0.02 A 51 ILE HG1y H 1 0.96 0.02 A 51 ILE HG1x H 1 0.51 0.02 A 51 ILE C C 13 173.7 0.3 A 51 ILE CA C 13 60.2 0.3 A 51 ILE CB C 13 40.7 0.3 A 51 ILE CD1 C 13 14.5 0.3 A 51 ILE CG1 C 13 27.2 0.3 A 51 ILE CG2 C 13 18.3 0.3 A 51 ILE N N 15 123 0.3 A 52 GLU H H 1 8.61 0.02 A 52 GLU HA H 1 4.77 0.02 A 52 GLU HBy H 1 1.8 0.02 A 52 GLU HBx H 1 1.64 0.02 A 52 GLU HGy H 1 1.99 0.02 A 52 GLU HGx H 1 1.88 0.02 A 52 GLU C C 13 175.3 0.3 A 52 GLU CA C 13 54.7 0.3 A 52 GLU CB C 13 31.5 0.3 A 52 GLU N N 15 126.6 0.3 A 53 PHE H H 1 8.8 0.02 A 53 PHE HA H 1 4.8 0.02 A 53 PHE HBy H 1 3.65 0.02 A 53 PHE HBx H 1 2.75 0.02 A 53 PHE HD2 H 1 7.28 0.02 A 53 PHE HE2 H 1 7.18 0.02 A 53 PHE C C 13 175.4 0.3 A 53 PHE CA C 13 58.2 0.3 A 53 PHE CB C 13 40.9 0.3 A 53 PHE CD2 C 13 131.9 0.3 A 53 PHE CE2 C 13 131.9 0.3 A 53 PHE N N 15 126.1 0.3 A 54 GLU H H 1 8.16 0.02 A 54 GLU HA H 1 3.93 0.02 A 54 GLU HGy H 1 2.25 0.02 A 54 GLU HGx H 1 2.18 0.02 A 54 GLU C C 13 175.3 0.3 A 54 GLU CA C 13 59.1 0.3 A 54 GLU CB C 13 30.8 0.3 A 54 GLU CG C 13 36.4 0.3 A 54 GLU N N 15 120.7 0.3 A 55 ASP H H 1 8.74 0.02 A 55 ASP HA H 1 4.92 0.02 A 55 ASP HBy H 1 2.87 0.02 A 55 ASP HBx H 1 2.44 0.02 A 55 ASP C C 13 176.4 0.3 A 55 ASP CA C 13 52.4 0.3 A 55 ASP CB C 13 44.4 0.3 A 55 ASP N N 15 117.9 0.3 A 56 ALA H H 1 8.8 0.02 A 56 ALA HA H 1 3.83 0.02 A 56 ALA C C 13 179.8 0.3 A 56 ALA CA C 13 55.2 0.3 A 56 ALA CB C 13 18.9 0.3 A 56 ALA N N 15 128.9 0.3 A 57 ARG H H 1 8.95 0.02 A 57 ARG HA H 1 3.89 0.02 A 57 ARG C C 13 178 0.3 A 57 ARG CA C 13 58.9 0.3 A 57 ARG CB C 13 29.3 0.3 A 57 ARG CD C 13 43.3 0.3 A 57 ARG CG C 13 26.7 0.3 A 57 ARG N N 15 119.2 0.3 A 58 ASP H H 1 7.02 0.02 A 58 ASP HA H 1 4.09 0.02 A 58 ASP HBy H 1 2.67 0.02 A 58 ASP HBx H 1 2.3 0.02 A 58 ASP C C 13 176.7 0.3 A 58 ASP CA C 13 56.5 0.3 A 58 ASP CB C 13 39.9 0.3 A 58 ASP N N 15 120.9 0.3 A 59 ALA H H 1 6.44 0.02 A 59 ALA HA H 1 3.08 0.02 A 59 ALA C C 13 178.1 0.3 A 59 ALA CA C 13 54.3 0.3 A 59 ALA CB C 13 18.4 0.3 A 59 ALA N N 15 119.7 0.3 A 60 ALA H H 1 7.33 0.02 A 60 ALA HA H 1 3.83 0.02 A 60 ALA C C 13 180.9 0.3 A 60 ALA CA C 13 54.9 0.3 A 60 ALA CB C 13 17.7 0.3 A 60 ALA N N 15 117.6 0.3 A 61 ASP H H 1 7.59 0.02 A 61 ASP HA H 1 4.21 0.02 A 61 ASP HBy H 1 2.83 0.02 A 61 ASP HBx H 1 2.61 0.02 A 61 ASP C C 13 176.7 0.3 A 61 ASP CA C 13 57.1 0.3 A 61 ASP CB C 13 40.1 0.3 A 61 ASP N N 15 120.1 0.3 A 62 ALA H H 1 7.44 0.02 A 62 ALA HA H 1 2.42 0.02 A 62 ALA C C 13 179.3 0.3 A 62 ALA CA C 13 54.6 0.3 A 62 ALA CB C 13 19.1 0.3 A 62 ALA N N 15 122.2 0.3 A 63 ILE H H 1 7.54 0.02 A 63 ILE HA H 1 3.24 0.02 A 63 ILE HB H 1 1.59 0.02 A 63 ILE C C 13 177.8 0.3 A 63 ILE CA C 13 65.6 0.3 A 63 ILE CB C 13 38.9 0.3 A 63 ILE CD1 C 13 17.1 0.3 A 63 ILE CG1 C 13 29.9 0.3 A 63 ILE CG2 C 13 18.2 0.3 A 63 ILE N N 15 116.7 0.3 A 64 LYS H H 1 7.49 0.02 A 64 LYS HA H 1 3.9 0.02 A 64 LYS HDy H 1 1.75 0.02 A 64 LYS HDx H 1 1.63 0.02 A 64 LYS HGy H 1 1.42 0.02 A 64 LYS HGx H 1 1.34 0.02 A 64 LYS C C 13 178.9 0.3 A 64 LYS CA C 13 58.8 0.3 A 64 LYS CB C 13 32.6 0.3 A 64 LYS CD C 13 29.7 0.3 A 64 LYS CE C 13 42.1 0.3 A 64 LYS CG C 13 24.6 0.3 A 64 LYS N N 15 117.4 0.3 A 65 GLU H H 1 7.96 0.02 A 65 GLU HA H 1 4.16 0.02 A 65 GLU HGy H 1 2.44 0.02 A 65 GLU HGx H 1 2.2 0.02 A 65 GLU C C 13 178.3 0.3 A 65 GLU CA C 13 58.3 0.3 A 65 GLU CB C 13 30.7 0.3 A 65 GLU CG C 13 37.2 0.3 A 65 GLU N N 15 113.8 0.3 A 66 LYS H H 1 8.05 0.02 A 66 LYS HA H 1 4.47 0.02 A 66 LYS C C 13 177.5 0.3 A 66 LYS CA C 13 54.4 0.3 A 66 LYS CB C 13 33 0.3 A 66 LYS CD C 13 28 0.3 A 66 LYS CE C 13 41.9 0.3 A 66 LYS CG C 13 23.8 0.3 A 66 LYS N N 15 114.7 0.3 A 67 ASP H H 1 7.62 0.02 A 67 ASP HA H 1 4.22 0.02 A 67 ASP HBy H 1 3.25 0.02 A 67 ASP HBx H 1 2.59 0.02 A 67 ASP C C 13 177.7 0.3 A 67 ASP CA C 13 58.4 0.3 A 67 ASP CB C 13 41.4 0.3 A 67 ASP N N 15 118.8 0.3 A 68 GLY H H 1 8.47 0.02 A 68 GLY HAy H 1 4.17 0.02 A 68 GLY HAx H 1 3.64 0.02 A 68 GLY C C 13 173.8 0.3 A 68 GLY CA C 13 45.9 0.3 A 68 GLY N N 15 115.6 0.3 A 69 CYS H H 1 7.89 0.02 A 69 CYS HA H 1 4.16 0.02 A 69 CYS HBy H 1 2.98 0.02 A 69 CYS HBx H 1 2.94 0.02 A 69 CYS C C 13 172.6 0.3 A 69 CYS CA C 13 58 0.3 A 69 CYS CB C 13 28.7 0.3 A 69 CYS N N 15 119.2 0.3 A 70 ASP H H 1 8.36 0.02 A 70 ASP HA H 1 4.83 0.02 A 70 ASP HBy H 1 2.48 0.02 A 70 ASP HBx H 1 2.38 0.02 A 70 ASP C C 13 176.4 0.3 A 70 ASP CA C 13 54.7 0.3 A 70 ASP CB C 13 42.7 0.3 A 70 ASP N N 15 122.2 0.3 A 71 PHE H H 1 9.39 0.02 A 71 PHE HA H 1 4.6 0.02 A 71 PHE HBy H 1 2.98 0.02 A 71 PHE HBx H 1 2.73 0.02 A 71 PHE C C 13 173.6 0.3 A 71 PHE CA C 13 56.8 0.3 A 71 PHE CB C 13 40.7 0.3 A 71 PHE CD1 C 13 131.6 0.3 A 71 PHE CE1 C 13 129.3 0.3 A 71 PHE N N 15 127.6 0.3 A 72 GLU H H 1 8.94 0.02 A 72 GLU HA H 1 3.54 0.02 A 72 GLU HGy H 1 1.6 0.02 A 72 GLU HGx H 1 1.37 0.02 A 72 GLU C C 13 175.5 0.3 A 72 GLU CA C 13 56.7 0.3 A 72 GLU CB C 13 27.3 0.3 A 72 GLU CG C 13 35 0.3 A 72 GLU N N 15 123.9 0.3 A 73 GLY H H 1 8.35 0.02 A 73 GLY HAy H 1 4.19 0.02 A 73 GLY HAx H 1 3.65 0.02 A 73 GLY C C 13 174.1 0.3 A 73 GLY CA C 13 45.6 0.3 A 73 GLY N N 15 105.2 0.3 A 74 ASN H H 1 7.74 0.02 A 74 ASN HA H 1 4.76 0.02 A 74 ASN HBy H 1 2.92 0.02 A 74 ASN HBx H 1 2.78 0.02 A 74 ASN C C 13 174 0.3 A 74 ASN CA C 13 50.9 0.3 A 74 ASN CB C 13 39.7 0.3 A 74 ASN N N 15 121 0.3 A 75 LYS H H 1 8.38 0.02 A 75 LYS HA H 1 4.47 0.02 A 75 LYS HBy H 1 1.63 0.02 A 75 LYS HBx H 1 1.5 0.02 A 75 LYS C C 13 176.9 0.3 A 75 LYS CA C 13 55.3 0.3 A 75 LYS CB C 13 31.9 0.3 A 75 LYS CD C 13 28.9 0.3 A 75 LYS CE C 13 41.9 0.3 A 75 LYS CG C 13 24.5 0.3 A 75 LYS N N 15 121.4 0.3 A 76 LEU H H 1 8.95 0.02 A 76 LEU HA H 1 4.43 0.02 A 76 LEU HG H 1 1.15 0.02 A 76 LEU C C 13 177.6 0.3 A 76 LEU CA C 13 55.3 0.3 A 76 LEU CB C 13 43.1 0.3 A 76 LEU CD1 C 13 21.5 0.3 A 76 LEU CD2 C 13 19.8 0.3 A 76 LEU N N 15 127.4 0.3 A 77 ARG H H 1 7.53 0.02 A 77 ARG HA H 1 4.9 0.02 A 77 ARG HDy H 1 3.24 0.02 A 77 ARG HDx H 1 3.12 0.02 A 77 ARG C C 13 174.7 0.3 A 77 ARG CA C 13 54 0.3 A 77 ARG CB C 13 32.3 0.3 A 77 ARG CD C 13 43.1 0.3 A 77 ARG CG C 13 26.8 0.3 A 77 ARG N N 15 121.8 0.3 A 78 VAL H H 1 9.66 0.02 A 78 VAL HA H 1 5.28 0.02 A 78 VAL HB H 1 1.82 0.02 A 78 VAL C C 13 174.2 0.3 A 78 VAL CA C 13 61.2 0.3 A 78 VAL CB C 13 33.4 0.3 A 78 VAL CG1 C 13 24.1 0.3 A 78 VAL CG2 C 13 22.4 0.3 A 78 VAL N N 15 127 0.3 A 79 GLU H H 1 8.98 0.02 A 79 GLU HA H 1 4.71 0.02 A 79 GLU HBy H 1 2.05 0.02 A 79 GLU HBx H 1 1.84 0.02 A 79 GLU HGy H 1 2.12 0.02 A 79 GLU HGx H 1 1.93 0.02 A 79 GLU C C 13 174.6 0.3 A 79 GLU CA C 13 53.9 0.3 A 79 GLU CB C 13 34.4 0.3 A 79 GLU CG C 13 34.5 0.3 A 79 GLU N N 15 121.9 0.3 A 80 VAL H H 1 8.41 0.02 A 80 VAL HA H 1 4.37 0.02 A 80 VAL HB H 1 1.96 0.02 A 80 VAL CA C 13 61 0.3 A 80 VAL CB C 13 32.1 0.3 A 80 VAL CG2 C 13 21.2 0.3 A 80 VAL N N 15 121.3 0.3 A 81 PRO HA H 1 4.26 0.02 A 81 PRO HBy H 1 2.13 0.02 A 81 PRO HBx H 1 1.8 0.02 A 81 PRO HDy H 1 4.08 0.02 A 81 PRO HDx H 1 3.64 0.02 A 81 PRO HGy H 1 1.92 0.02 A 81 PRO HGx H 1 1.73 0.02 A 81 PRO C C 13 176.1 0.3 A 81 PRO CA C 13 63.1 0.3 A 81 PRO CB C 13 32.1 0.3 A 81 PRO CD C 13 50.9 0.3 A 81 PRO CG C 13 27.8 0.3 A 82 PHE H H 1 8.15 0.02 A 82 PHE HA H 1 4.29 0.02 A 82 PHE HBy H 1 2.96 0.02 A 82 PHE HBx H 1 2.84 0.02 A 82 PHE HD2 H 1 7.07 0.02 A 82 PHE HE2 H 1 7.05 0.02 A 82 PHE C C 13 175.3 0.3 A 82 PHE CA C 13 58.1 0.3 A 82 PHE CB C 13 39.4 0.3 A 82 PHE CD2 C 13 131.2 0.3 A 82 PHE CE2 C 13 129.8 0.3 A 82 PHE N N 15 122.2 0.3 A 83 ASN H H 1 8.11 0.02 A 83 ASN HA H 1 4.44 0.02 A 83 ASN HBy H 1 2.58 0.02 A 83 ASN HBx H 1 2.49 0.02 A 83 ASN C C 13 174.1 0.3 A 83 ASN CA C 13 52.7 0.3 A 83 ASN CB C 13 38.7 0.3 A 83 ASN N N 15 120.8 0.3 A 84 ALA H H 1 8.02 0.02 A 84 ALA HA H 1 4.08 0.02 A 84 ALA C C 13 177.1 0.3 A 84 ALA CA C 13 52.4 0.3 A 84 ALA CB C 13 19.1 0.3 A 84 ALA N N 15 123.7 0.3 A 85 ARG H H 1 8.04 0.02 A 85 ARG HA H 1 4.15 0.02 A 85 ARG HBy H 1 1.73 0.02 A 85 ARG HBx H 1 1.62 0.02 A 85 ARG C C 13 175.2 0.3 A 85 ARG CA C 13 56 0.3 A 85 ARG CB C 13 30.8 0.3 A 85 ARG CD C 13 43.4 0.3 A 85 ARG CG C 13 26.7 0.3 A 85 ARG N N 15 120.2 0.3 A 86 GLU H H 1 7.86 0.02 A 86 GLU CA C 13 58 0.3 A 86 GLU CB C 13 30.9 0.3 A 86 GLU CG C 13 36.2 0.3 A 86 GLU N N 15 126.5 0.3 stop_ save_ save_assigned_chem_shift_list_2 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_2 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 B 101 A H1' H 1 5.918 0.02 B 101 A H2 H 1 7.627 0.02 B 101 A H2' H 1 4.384 0.02 B 101 A H3' H 1 4.319 0.02 B 101 A H4' H 1 4.022 0.02 B 101 A H5' H 1 3.571 0.02 B 101 A H5'' H 1 3.457 0.02 B 101 A H8 H 1 8.188 0.02 B 101 A C1' C 13 88.56 0.3 B 101 A C2 C 13 151.438 0.3 B 101 A C2' C 13 72.432 0.3 B 101 A C3' C 13 73.406 0.3 B 101 A C4' C 13 83.691 0.3 B 101 A C5' C 13 60.267 0.3 B 101 A C8 C 13 139.58 0.3 B 102 C H1' H 1 5.789 0.02 B 102 C H2' H 1 3.938 0.02 B 102 C H3' H 1 4.238 0.02 B 102 C H4' H 1 4.046 0.02 B 102 C H5 H 1 5.677 0.02 B 102 C H5' H 1 3.917 0.02 B 102 C H5'' H 1 3.754 0.02 B 102 C H6 H 1 7.692 0.02 B 102 C C1' C 13 88.853 0.3 B 102 C C2' C 13 72.683 0.3 B 102 C C3' C 13 72.546 0.3 B 102 C C4' C 13 81.11 0.3 B 102 C C5 C 13 94.886 0.3 B 102 C C5' C 13 63.943 0.3 B 102 C C6 C 13 139.659 0.3 B 103 A H1' H 1 5.863 0.02 B 103 A H2 H 1 7.602 0.02 B 103 A H2' H 1 4.259 0.02 B 103 A H3' H 1 4.159 0.02 B 103 A H4' H 1 3.98 0.02 B 103 A H5' H 1 3.776 0.02 B 103 A H5'' H 1 3.712 0.02 B 103 A H8 H 1 8.18 0.02 B 103 A C1' C 13 87.641 0.3 B 103 A C2 C 13 151.671 0.3 B 103 A C2' C 13 72.843 0.3 B 103 A C3' C 13 72.37 0.3 B 103 A C4' C 13 81.11 0.3 B 103 A C5' C 13 63.436 0.3 B 103 A C8 C 13 138.077 0.3 B 104 U H1' H 1 5.757 0.02 B 104 U H2' H 1 3.883 0.02 B 104 U H3' H 1 4.052 0.02 B 104 U H4' H 1 4.156 0.02 B 104 U H5 H 1 5.626 0.02 B 104 U H5' H 1 3.905 0.02 B 104 U H5'' H 1 3.702 0.02 B 104 U H6 H 1 7.447 0.02 B 104 U C1' C 13 88.521 0.3 B 104 U C2' C 13 72.272 0.3 B 104 U C3' C 13 71.803 0.3 B 104 U C4' C 13 81.13 0.3 B 104 U C5 C 13 100.84 0.3 B 104 U C5' C 13 63.141 0.3 B 104 U C6 C 13 139.147 0.3 B 105 C H1' H 1 5.708 0.02 B 105 C H2' H 1 3.865 0.02 B 105 C H3' H 1 4.114 0.02 B 105 C H4' H 1 3.895 0.02 B 105 C H5 H 1 5.559 0.02 B 105 C H5' H 1 3.843 0.02 B 105 C H5'' H 1 3.688 0.02 B 105 C H6 H 1 7.655 0.02 B 105 C C1' C 13 89.009 0.3 B 105 C C2' C 13 72.898 0.3 B 105 C C3' C 13 71.647 0.3 B 105 C C4' C 13 80.25 0.3 B 105 C C5 C 13 94.918 0.3 B 105 C C5' C 13 62.897 0.3 B 105 C C6 C 13 139.358 0.3 B 106 A H1' H 1 5.904 0.02 B 106 A H2 H 1 7.738 0.02 B 106 A H2' H 1 4.132 0.02 B 106 A H3' H 1 4.067 0.02 B 106 A H4' H 1 3.94 0.02 B 106 A H5' H 1 3.831 0.02 B 106 A H5'' H 1 3.738 0.02 B 106 A H8 H 1 8.295 0.02 B 106 A C1' C 13 86.691 0.3 B 106 A C2 C 13 152.025 0.3 B 106 A C2' C 13 74.501 0.3 B 106 A C3' C 13 69.515 0.3 B 106 A C4' C 13 82.948 0.3 B 106 A C5' C 13 64.021 0.3 B 106 A C8 C 13 138.457 0.3 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 56 ALA H A 58 ASP H 1.0 . 5.70 2 2 A 40 LYS H A 48 PHE H 1.0 . 4.41 3 3 A 40 LYS H A 41 LYS H 1.0 . 5.70 4 4 A 40 LYS H A 47 ALA HB1 1.0 . 5.70 5 5 A 56 ALA H A 85 ARG HGx 1.0 . 3.96 6 5 A 56 ALA H A 85 ARG HGy 1.0 . 3.96 7 6 A 38 ASP H A 50 PHE H 1.0 . 4.62 8 7 A 38 ASP H A 37 CYS H 1.0 . 4.43 9 8 A 38 ASP H A 39 VAL HA 1.0 . 5.70 10 9 A 38 ASP H A 37 CYS HBy 1.0 . 4.96 11 10 A 71 PHE H A 73 GLY H 1.0 . 4.94 12 11 A 71 PHE H A 70 ASP H 1.0 . 5.20 13 12 A 71 PHE H A 74 ASN HBy 1.0 . 4.92 14 13 A 71 PHE H A 75 LYS HEx 1.0 . 5.20 15 13 A 71 PHE H A 75 LYS HEy 1.0 . 5.20 16 14 A 71 PHE H A 72 GLU H 1.0 . 4.84 17 15 A 76 LEU H A 76 LEU HBx 1.0 . 4.03 18 15 A 76 LEU H A 76 LEU HBy 1.0 . 4.03 19 16 A 76 LEU H A 75 LYS HGx 1.0 . 4.85 20 16 A 76 LEU H A 75 LYS HGy 1.0 . 4.85 21 17 A 76 LEU H A 76 LEU HG 1.0 . 4.20 22 18 A 76 LEU H A 75 LYS H 1.0 . 5.40 23 19 A 76 LEU H A 77 ARG HA 1.0 . 5.70 24 20 A 68 GLY H A 78 VAL H 1.0 . 5.06 25 21 A 78 VAL H A 67 ASP HA 1.0 . 5.07 26 22 A 78 VAL H A 79 GLU HBx 1.0 . 5.70 27 23 A 78 VAL H A 77 ARG HDx 1.0 . 5.70 28 24 A 78 VAL H A 67 ASP HBy 1.0 . 5.20 29 25 A 35 LEU H A 53 PHE HA 1.0 . 5.27 30 26 A 35 LEU H A 52 GLU H 1.0 . 5.23 31 27 A 35 LEU H A 36 LYS H 1.0 . 3.79 32 28 A 35 LEU H A 35 LEU HBx 1.0 . 4.02 33 28 A 35 LEU H A 35 LEU HBy 1.0 . 4.02 34 29 A 35 LEU H A 35 LEU HD11 1.0 . 5.70 35 30 A 34 ILE H A 35 LEU HD21 1.0 . 5.70 36 31 A 34 ILE H A 32 GLY HAy 1.0 . 4.95 37 32 A 34 ILE H A 25 GLU HA 1.0 . 5.64 38 33 A 34 ILE H A 34 ILE HG21 1.0 . 5.08 39 34 A 35 LEU H A 34 ILE H 1.0 . 5.57 40 35 A 3 ILE HB A 4 ARG H 1.0 . 5.06 41 36 A 4 ARG H A 3 ILE HG21 1.0 . 5.70 42 37 A 4 ARG H A 2 VAL HG21 1.0 . 5.20 43 38 A 12 VAL H A 12 VAL HG21 1.0 . 5.49 44 39 A 4 ARG H A 5 GLU HBx 1.0 . 5.31 45 40 A 52 GLU H A 52 GLU HGx 1.0 . 5.66 46 41 A 53 PHE H A 54 GLU H 1.0 . 5.70 47 42 A 37 CYS H A 36 LYS HEx 1.0 . 4.86 48 42 A 37 CYS H A 36 LYS HEy 1.0 . 4.86 49 43 A 37 CYS H A 36 LYS H 1.0 . 5.25 50 44 A 37 CYS H A 36 LYS HGx 1.0 . 5.70 51 44 A 37 CYS H A 36 LYS HGy 1.0 . 5.70 52 45 A 12 VAL H A 11 TYR H 1.0 . 5.59 53 46 A 46 ALA H A 47 ALA H 1.0 . 5.24 54 47 A 46 ALA H A 42 THR H 1.0 . 4.65 55 48 A 46 ALA H A 45 GLY H 1.0 . 3.79 56 49 A 11 TYR H A 10 ILE HB 1.0 . 4.79 57 50 A 9 ARG H A 10 ILE H 1.0 . 5.70 58 51 A 9 ARG H A 10 ILE HG1y 1.0 . 5.70 59 52 A 9 ARG H A 7 VAL HG21 1.0 . 5.70 60 53 A 51 ILE H A 50 PHE HBx 1.0 . 5.23 61 53 A 50 PHE HBy A 51 ILE H 1.0 . 5.23 62 54 A 76 LEU HG A 77 ARG H 1.0 . 4.97 63 55 A 77 ARG H A 75 LYS HGx 1.0 . 5.20 64 55 A 75 LYS HGy A 77 ARG H 1.0 . 5.20 65 56 A 77 ARG H A 76 LEU HD21 1.0 . 5.06 66 57 A 76 LEU H A 77 ARG H 1.0 . 5.48 67 58 A 77 ARG H A 76 LEU HA 1.0 . 3.71 68 59 A 70 ASP H A 69 CYS HBx 1.0 . 4.84 69 60 A 61 ASP H A 62 ALA H 1.0 . 3.74 70 61 A 62 ALA H A 30 LYS HEx 1.0 . 4.63 71 61 A 62 ALA H A 30 LYS HEy 1.0 . 4.63 72 62 A 62 ALA H A 63 ILE HA 1.0 . 5.70 73 63 A 62 ALA H A 31 TYR HE% 1.0 . 5.70 74 64 A 62 ALA H A 59 ALA H 1.0 . 5.20 75 65 A 78 VAL HB A 79 GLU H 1.0 . 5.50 76 66 A 79 GLU H A 79 GLU HGx 1.0 . 5.20 77 67 A 79 GLU H A 63 ILE HD11 1.0 . 5.70 78 68 A 79 GLU H A 78 VAL HG21 1.0 . 5.20 79 69 A 79 GLU H A 63 ILE HG21 1.0 . 5.20 80 70 A 28 PHE H A 29 ARG H 1.0 . 3.76 81 71 A 29 ARG H A 27 GLU H 1.0 . 5.53 82 72 A 29 ARG H A 31 TYR H 1.0 . 5.20 83 73 A 29 ARG H A 32 GLY H 1.0 . 5.70 84 74 A 29 ARG H A 31 TYR HD% 1.0 . 5.20 85 75 A 29 ARG H A 29 ARG HBx 1.0 . 4.03 86 76 A 29 ARG H A 30 LYS HGy 1.0 . 5.70 87 77 A 24 VAL H A 25 GLU H 1.0 . 3.77 88 78 A 27 GLU H A 25 GLU H 1.0 . 5.42 89 79 A 25 GLU H A 25 GLU HGx 1.0 . 4.09 90 79 A 25 GLU H A 25 GLU HGy 1.0 . 4.09 91 80 A 25 GLU H A 22 ARG HA 1.0 . 5.70 92 81 A 75 LYS H A 75 LYS HEx 1.0 . 5.31 93 81 A 75 LYS HEy A 75 LYS H 1.0 . 5.31 94 82 A 74 ASN HBy A 75 LYS H 1.0 . 5.20 95 83 A 75 LYS H A 75 LYS HBy 1.0 . 4.32 96 84 A 75 LYS H A 75 LYS HDx 1.0 . 4.20 97 84 A 75 LYS H A 75 LYS HDy 1.0 . 4.20 98 85 A 82 PHE H A 83 ASN HA 1.0 . 4.02 99 86 A 20 SER HA A 22 ARG H 1.0 . 4.37 100 87 A 22 ARG H A 20 SER HBx 1.0 . 4.43 101 88 A 25 GLU H A 22 ARG HGx 1.0 . 5.70 102 88 A 25 GLU H A 22 ARG HGy 1.0 . 5.70 103 89 A 71 PHE H A 74 ASN H 1.0 . 4.25 104 90 A 74 ASN HBy A 74 ASN H 1.0 . 4.24 105 91 A 74 ASN H A 75 LYS HEx 1.0 . 5.20 106 91 A 75 LYS HEy A 74 ASN H 1.0 . 5.20 107 92 A 79 GLU H A 80 VAL H 1.0 . 5.02 108 93 A 80 VAL H A 79 GLU HBy 1.0 . 4.60 109 94 A 80 VAL H A 79 GLU HGy 1.0 . 5.20 110 95 A 63 ILE HG21 A 80 VAL H 1.0 . 4.57 111 96 A 80 VAL H A 79 GLU HGx 1.0 . 4.44 112 97 A 58 ASP H A 60 ALA HB1 1.0 . 5.42 113 98 A 58 ASP H A 57 ARG H 1.0 . 3.84 114 99 A 58 ASP H A 59 ALA H 1.0 . 3.93 115 100 A 54 GLU H A 55 ASP H 1.0 . 4.57 116 101 A 35 LEU H A 54 GLU H 1.0 . 5.40 117 102 A 83 ASN H A 84 ALA H 1.0 . 3.98 118 103 A 42 THR HA A 43 VAL H 1.0 . 3.77 119 104 A 43 VAL H A 41 LYS HDx 1.0 . 5.70 120 104 A 43 VAL H A 41 LYS HDy 1.0 . 5.70 121 105 A 43 VAL H A 41 LYS HGx 1.0 . 5.70 122 105 A 43 VAL H A 41 LYS HGy 1.0 . 5.70 123 106 A 50 PHE H A 49 ALA H 1.0 . 5.48 124 107 A 48 PHE H A 49 ALA H 1.0 . 5.26 125 108 A 43 VAL H A 42 THR HB 1.0 . 3.93 126 109 A 43 VAL H A 43 VAL HG21 1.0 . 4.84 127 110 A 85 ARG H A 86 GLU H 1.0 . 4.94 128 111 A 61 ASP H A 62 ALA H 1.0 . 4.07 129 112 A 61 ASP H A 60 ALA H 1.0 . 4.17 130 113 A 85 ARG H A 84 ALA HB1 1.0 . 5.70 131 114 A 7 VAL H A 8 SER HA 1.0 . 4.97 132 115 A 7 VAL H A 8 SER HBy 1.0 . 5.70 133 116 A 7 VAL HG21 A 7 VAL H 1.0 . 5.00 134 117 A 59 ALA H A 60 ALA HB1 1.0 . 4.57 135 118 A 24 VAL H A 26 ASN H 1.0 . 5.52 136 119 A 24 VAL H A 22 ARG HDx 1.0 . 5.46 137 119 A 24 VAL H A 22 ARG HDy 1.0 . 5.46 138 120 A 24 VAL H A 23 ASP HBy 1.0 . 5.40 139 121 A 24 VAL H A 20 SER H 1.0 . 5.70 140 122 A 24 VAL H A 22 ARG H 1.0 . 5.70 141 123 A 25 GLU HA A 24 VAL H 1.0 . 5.70 142 124 A 24 VAL H A 23 ASP HBx 1.0 . 5.56 143 125 A 70 ASP H A 69 CYS H 1.0 . 5.26 144 126 A 57 ARG H A 85 ARG HGx 1.0 . 5.22 145 126 A 85 ARG HGy A 57 ARG H 1.0 . 5.22 146 127 A 56 ALA H A 57 ARG H 1.0 . 3.98 147 128 A 59 ALA H A 57 ARG H 1.0 . 5.47 148 129 A 20 SER H A 19 VAL H 1.0 . 5.41 149 130 A 20 SER H A 20 SER HBy 1.0 . 4.31 150 131 A 20 SER H A 19 VAL HG11 1.0 . 5.70 151 132 A 68 GLY H A 69 CYS H 1.0 . 4.02 152 133 A 20 SER HBx A 20 SER H 1.0 . 3.94 153 134 A 20 SER H A 22 ARG HDx 1.0 . 5.01 154 134 A 22 ARG HDy A 20 SER H 1.0 . 5.01 155 135 A 68 GLY H A 67 ASP H 1.0 . 5.31 156 136 A 67 ASP H A 66 LYS H 1.0 . 3.84 157 137 A 67 ASP H A 66 LYS HBx 1.0 . 5.19 158 137 A 67 ASP H A 66 LYS HBy 1.0 . 5.19 159 138 A 78 VAL HB A 67 ASP H 1.0 . 5.20 160 139 A 63 ILE HD11 A 67 ASP H 1.0 . 5.70 161 140 A 78 VAL HG21 A 67 ASP H 1.0 . 5.20 162 141 A 22 ARG HBx A 23 ASP H 1.0 . 4.65 163 142 A 28 PHE H A 27 GLU H 1.0 . 3.98 164 143 A 27 GLU H A 24 VAL HA 1.0 . 5.23 165 144 A 27 GLU H A 28 PHE HBy 1.0 . 5.20 166 145 A 27 GLU H A 27 GLU HGy 1.0 . 4.63 167 145 A 27 GLU H A 27 GLU HGx 1.0 . 4.63 168 146 A 20 SER H A 23 ASP H 1.0 . 4.85 169 147 A 25 GLU H A 23 ASP H 1.0 . 5.37 170 148 A 23 ASP H A 22 ARG HDx 1.0 . 4.74 171 148 A 22 ARG HDy A 23 ASP H 1.0 . 4.74 172 149 A 23 ASP H A 22 ARG HBy 1.0 . 4.57 173 150 A 22 ARG H A 23 ASP H 1.0 . 3.99 174 151 A 48 PHE H A 47 ALA H 1.0 . 5.25 175 152 A 48 PHE H A 40 LYS HBy 1.0 . 4.27 176 153 A 48 PHE H A 40 LYS HGx 1.0 . 5.20 177 153 A 48 PHE H A 40 LYS HGy 1.0 . 5.20 178 154 A 40 LYS H A 48 PHE H 1.0 . 4.70 179 155 A 48 PHE H A 42 THR H 1.0 . 5.20 180 156 A 41 LYS H A 42 THR H 1.0 . 5.28 181 157 A 40 LYS H A 41 LYS H 1.0 . 5.20 182 158 A 41 LYS H A 40 LYS HBy 1.0 . 5.24 183 159 A 41 LYS H A 40 LYS HGx 1.0 . 5.20 184 159 A 41 LYS H A 40 LYS HGy 1.0 . 5.20 185 160 A 21 SER H A 39 VAL HB 1.0 . 5.64 186 161 A 22 ARG H A 21 SER H 1.0 . 4.09 187 162 A 23 ASP H A 21 SER H 1.0 . 5.70 188 163 A 20 SER HA A 21 SER H 1.0 . 3.64 189 164 A 20 SER HBy A 21 SER H 1.0 . 4.12 190 165 A 22 ARG HA A 21 SER H 1.0 . 5.20 191 166 A 20 SER HBx A 21 SER H 1.0 . 3.98 192 167 A 7 VAL H A 8 SER H 1.0 . 4.61 193 168 A 8 SER H A 6 SER HBx 1.0 . 5.23 194 168 A 8 SER H A 6 SER HBy 1.0 . 5.23 195 169 A 64 LYS H A 64 LYS HDx 1.0 . 5.70 196 170 A 63 ILE HD11 A 64 LYS H 1.0 . 5.70 197 171 A 63 ILE HG21 A 64 LYS H 1.0 . 5.20 198 172 A 64 LYS H A 65 GLU H 1.0 . 4.19 199 173 A 64 LYS H A 64 LYS HDy 1.0 . 4.60 200 174 A 58 ASP H A 60 ALA H 1.0 . 5.47 201 175 A 59 ALA H A 60 ALA H 1.0 . 4.06 202 176 A 57 ARG H A 60 ALA H 1.0 . 5.70 203 177 A 31 TYR H A 30 LYS H 1.0 . 4.49 204 178 A 64 LYS H A 61 ASP HA 1.0 . 5.70 205 179 A 29 ARG H A 30 LYS H 1.0 . 4.45 206 180 A 63 ILE HG21 A 63 ILE H 1.0 . 5.70 207 181 A 63 ILE HD11 A 63 ILE H 1.0 . 4.20 208 182 A 36 LYS H A 52 GLU HGx 1.0 . 5.06 209 183 A 53 PHE HA A 55 ASP H 1.0 . 5.70 210 184 A 7 VAL H A 6 SER H 1.0 . 4.83 211 185 A 6 SER H A 5 GLU HGx 1.0 . 5.70 212 185 A 6 SER H A 5 GLU HGy 1.0 . 5.70 213 186 A 31 TYR H A 31 TYR HD% 1.0 . 3.91 214 187 A 31 TYR H A 32 GLY H 1.0 . 5.20 215 188 A 31 TYR H A 28 PHE HA 1.0 . 5.70 216 189 A 52 GLU H A 36 LYS H 1.0 . 4.38 217 190 A 36 LYS H A 35 LEU HBx 1.0 . 5.26 218 190 A 36 LYS H A 35 LEU HBy 1.0 . 5.26 219 191 A 36 LYS H A 34 ILE HG21 1.0 . 5.20 220 192 A 64 LYS H A 63 ILE H 1.0 . 3.82 221 193 A 19 VAL H A 19 VAL HG11 1.0 . 4.95 222 194 A 38 ASP H A 50 PHE H 1.0 . 4.33 223 195 A 50 PHE H A 39 VAL H 1.0 . 5.20 224 196 A 47 ALA H A 15 LEU H 1.0 . 5.02 225 197 A 47 ALA HB1 A 15 LEU H 1.0 . 5.70 226 198 A 17 SER H A 17 SER HBx 1.0 . 3.91 227 198 A 17 SER H A 17 SER HBy 1.0 . 3.91 228 199 A 32 GLY HAy A 33 ASN H 1.0 . 3.65 229 200 A 25 GLU H A 26 ASN H 1.0 . 4.13 230 201 A 24 VAL H A 26 ASN H 1.0 . 5.09 231 202 A 26 ASN H A 23 ASP H 1.0 . 5.20 232 203 A 27 GLU H A 26 ASN H 1.0 . 4.05 233 204 A 26 ASN H A 24 VAL HA 1.0 . 5.49 234 205 A 26 ASN H A 25 GLU HGx 1.0 . 5.30 235 205 A 25 GLU HGy A 26 ASN H 1.0 . 5.30 236 206 A 26 ASN H A 25 GLU HBx 1.0 . 4.86 237 207 A 26 ASN H A 27 GLU HBx 1.0 . 5.20 238 207 A 26 ASN H A 27 GLU HBy 1.0 . 5.20 239 208 A 26 ASN H A 24 VAL HG11 1.0 . 5.70 240 209 A 10 ILE H A 11 TYR HA 1.0 . 5.70 241 210 A 66 LYS H A 64 LYS H 1.0 . 5.67 242 211 A 66 LYS H A 66 LYS HEx 1.0 . 5.70 243 211 A 66 LYS H A 66 LYS HEy 1.0 . 5.70 244 212 A 66 LYS H A 65 GLU HGx 1.0 . 4.71 245 213 A 66 LYS H A 64 LYS HDy 1.0 . 5.70 246 214 A 13 GLY H A 14 ASN H 1.0 . 5.64 247 215 A 15 LEU H A 14 ASN H 1.0 . 4.11 248 216 A 28 PHE H A 27 GLU HGy 1.0 . 5.37 249 216 A 28 PHE H A 27 GLU HGx 1.0 . 5.37 250 217 A 28 PHE H A 24 VAL HB 1.0 . 5.20 251 218 A 28 PHE H A 27 GLU HBx 1.0 . 4.77 252 218 A 28 PHE H A 27 GLU HBy 1.0 . 4.77 253 219 A 66 LYS H A 65 GLU H 1.0 . 3.90 254 220 A 65 GLU H A 66 LYS HEx 1.0 . 4.93 255 220 A 65 GLU H A 66 LYS HEy 1.0 . 4.93 256 221 A 65 GLU H A 66 LYS HBx 1.0 . 4.44 257 221 A 66 LYS HBy A 65 GLU H 1.0 . 4.44 258 222 A 65 GLU H A 64 LYS HDy 1.0 . 4.60 259 223 A 43 VAL H A 44 SER H 1.0 . 4.11 260 224 A 42 THR H A 47 ALA HA 1.0 . 3.80 261 225 A 42 THR H A 41 LYS HDx 1.0 . 4.47 262 225 A 42 THR H A 41 LYS HDy 1.0 . 4.47 263 226 A 42 THR H A 41 LYS HGx 1.0 . 4.36 264 226 A 42 THR H A 41 LYS HGy 1.0 . 4.36 265 227 A 41 LYS H A 42 THR H 1.0 . 5.29 266 228 A 13 GLY H A 12 VAL HB 1.0 . 5.70 267 229 A 42 THR H A 45 GLY H 1.0 . 5.01 268 230 A 71 PHE H A 73 GLY H 1.0 . 5.06 269 231 A 73 GLY H A 74 ASN H 1.0 . 4.02 270 232 A 73 GLY H A 72 GLU H 1.0 . 4.27 271 233 A 32 GLY H A 33 ASN H 1.0 . 5.34 272 234 A 31 TYR H A 32 GLY H 1.0 . 3.72 273 235 A 32 GLY H A 29 ARG HA 1.0 . 5.70 274 236 A 24 VAL HA A 27 GLU HBx 1.0 . 4.74 275 236 A 24 VAL HA A 27 GLU HBy 1.0 . 4.74 276 237 A 24 VAL HA A 25 GLU HBx 1.0 . 5.20 277 238 A 24 VAL HA A 24 VAL HG11 1.0 . 3.76 278 239 A 20 SER HBy A 21 SER H 1.0 . 3.91 279 240 A 22 ARG H A 20 SER HBy 1.0 . 4.23 280 241 A 63 ILE HA A 63 ILE HG21 1.0 . 3.55 281 242 A 63 ILE HA A 63 ILE HD11 1.0 . 4.20 282 243 A 43 VAL HG21 A 43 VAL HA 1.0 . 3.50 283 244 A 8 SER HBy A 8 SER H 1.0 . 4.16 284 245 A 7 VAL HA A 6 SER HBx 1.0 . 4.72 285 245 A 6 SER HBy A 7 VAL HA 1.0 . 4.72 286 246 A 8 SER HA A 6 SER HBx 1.0 . 5.20 287 246 A 8 SER HA A 6 SER HBy 1.0 . 5.20 288 247 A 9 ARG H A 8 SER HBy 1.0 . 4.47 289 248 A 44 SER H A 44 SER HBx 1.0 . 4.04 290 248 A 44 SER H A 44 SER HBy 1.0 . 4.04 291 249 A 6 SER H A 6 SER HBx 1.0 . 4.37 292 249 A 6 SER HBy A 6 SER H 1.0 . 4.37 293 250 A 8 SER H A 8 SER HBx 1.0 . 4.16 294 251 A 9 ARG H A 8 SER HBx 1.0 . 4.78 295 252 A 17 SER H A 17 SER HBx 1.0 . 3.45 296 252 A 17 SER H A 17 SER HBy 1.0 . 3.45 297 253 A 16 PRO HGy A 17 SER HBx 1.0 . 4.78 298 253 A 16 PRO HGx A 17 SER HBx 1.0 . 4.78 299 253 A 17 SER HBy A 16 PRO HGy 1.0 . 4.78 300 253 A 17 SER HBy A 16 PRO HGx 1.0 . 4.78 301 254 A 82 PHE H A 81 PRO HA 1.0 . 3.28 302 255 A 17 SER H A 16 PRO HA 1.0 . 3.24 303 256 A 24 VAL HB A 21 SER HA 1.0 . 4.27 304 257 A 21 SER HA A 39 VAL HG11 1.0 . 3.76 305 258 A 24 VAL HG11 A 21 SER HA 1.0 . 4.74 306 259 A 20 SER H A 19 VAL HA 1.0 . 3.05 307 260 A 23 ASP HBy A 19 VAL HA 1.0 . 4.41 308 261 A 23 ASP HBx A 19 VAL HA 1.0 . 4.89 309 262 A 50 PHE H A 39 VAL HA 1.0 . 4.29 310 263 A 40 LYS H A 39 VAL HA 1.0 . 3.22 311 264 A 39 VAL HA A 39 VAL HG21 1.0 . 3.68 312 265 A 39 VAL HA A 39 VAL HG11 1.0 . 4.20 313 266 A 35 LEU H A 34 ILE HA 1.0 . 3.39 314 267 A 53 PHE HA A 34 ILE HA 1.0 . 3.74 315 268 A 79 GLU H A 78 VAL HA 1.0 . 3.37 316 269 A 63 ILE HD11 A 78 VAL HA 1.0 . 4.04 317 270 A 25 GLU HA A 25 GLU HGx 1.0 . 4.09 318 270 A 25 GLU HA A 25 GLU HGy 1.0 . 4.09 319 271 A 25 GLU HA A 24 VAL HG21 1.0 . 4.82 320 272 A 12 VAL HA A 12 VAL HG11 1.0 . 3.59 321 273 A 31 TYR HD% A 31 TYR HA 1.0 . 3.71 322 274 A 32 GLY H A 31 TYR HA 1.0 . 5.20 323 275 A 35 LEU HD11 A 54 GLU HA 1.0 . 3.62 324 276 A 35 LEU HD21 A 54 GLU HA 1.0 . 4.55 325 277 A 60 ALA H A 57 ARG HA 1.0 . 4.62 326 278 A 22 ARG HA A 25 GLU HBy 1.0 . 3.93 327 279 A 22 ARG HA A 25 GLU HBx 1.0 . 3.83 328 280 A 22 ARG HA A 22 ARG HGx 1.0 . 3.73 329 280 A 22 ARG HA A 22 ARG HGy 1.0 . 3.73 330 281 A 57 ARG HA A 57 ARG HGx 1.0 . 3.49 331 281 A 57 ARG HA A 57 ARG HGy 1.0 . 3.49 332 282 A 29 ARG HA A 29 ARG HDx 1.0 . 4.54 333 282 A 29 ARG HA A 29 ARG HDy 1.0 . 4.54 334 283 A 44 SER HA A 44 SER HBx 1.0 . 3.21 335 283 A 44 SER HBy A 44 SER HA 1.0 . 3.21 336 284 A 67 ASP HA A 78 VAL HG21 1.0 . 5.20 337 285 A 7 VAL H A 6 SER HA 1.0 . 3.03 338 286 A 83 ASN H A 82 PHE HA 1.0 . 3.39 339 287 A 7 VAL HG21 A 8 SER HA 1.0 . 5.07 340 288 A 67 ASP HA A 63 ILE HD11 1.0 . 5.20 341 289 A 67 ASP HA A 78 VAL HB 1.0 . 3.94 342 290 A 64 LYS HDy A 65 GLU HA 1.0 . 4.04 343 291 A 82 PHE HA A 82 PHE HD% 1.0 . 4.38 344 292 A 23 ASP HA A 26 ASN HBy 1.0 . 4.02 345 293 A 27 GLU HA A 27 GLU HGy 1.0 . 3.71 346 293 A 27 GLU HGx A 27 GLU HA 1.0 . 3.71 347 294 A 26 ASN H A 23 ASP HA 1.0 . 4.39 348 295 A 29 ARG H A 27 GLU HA 1.0 . 4.90 349 296 A 62 ALA H A 61 ASP HA 1.0 . 3.73 350 297 A 64 LYS H A 61 ASP HA 1.0 . 5.20 351 298 A 72 GLU HA A 72 GLU HGy 1.0 . 3.80 352 299 A 72 GLU HA A 72 GLU HGx 1.0 . 4.20 353 300 A 50 PHE HA A 50 PHE HE% 1.0 . 4.51 354 301 A 51 ILE H A 50 PHE HA 1.0 . 3.45 355 302 A 6 SER H A 5 GLU HA 1.0 . 3.10 356 303 A 26 ASN HA A 29 ARG HGy 1.0 . 4.67 357 304 A 12 VAL H A 11 TYR HA 1.0 . 3.33 358 305 A 37 CYS H A 36 LYS HA 1.0 . 3.05 359 306 A 4 ARG HA A 5 GLU H 1.0 . 3.12 360 307 A 86 GLU H A 85 ARG HA 1.0 . 3.48 361 308 A 15 LEU HD11 A 48 PHE HA 1.0 . 4.14 362 309 A 18 HIS HA A 18 HIS HBx 1.0 . 2.70 363 310 A 76 LEU H A 75 LYS HA 1.0 . 3.14 364 311 A 59 ALA H A 56 ALA HA 1.0 . 4.20 365 312 A 58 ASP H A 56 ALA HA 1.0 . 4.82 366 313 A 53 PHE H A 52 GLU HA 1.0 . 3.08 367 314 A 64 LYS H A 60 ALA HA 1.0 . 4.33 368 315 A 62 ALA H A 60 ALA HA 1.0 . 5.20 369 316 A 63 ILE HG21 A 60 ALA HA 1.0 . 4.61 370 317 A 63 ILE HD11 A 60 ALA HA 1.0 . 5.20 371 318 A 42 THR H A 41 LYS HA 1.0 . 3.31 372 319 A 71 PHE H A 70 ASP HA 1.0 . 3.40 373 320 A 64 LYS HDy A 62 ALA HA 1.0 . 4.76 374 321 A 9 ARG HA A 10 ILE HG21 1.0 . 5.52 375 322 A 7 VAL HG21 A 9 ARG HA 1.0 . 5.20 376 323 A 10 ILE H A 9 ARG HA 1.0 . 3.31 377 324 A 61 ASP H A 59 ALA HA 1.0 . 5.01 378 325 A 63 ILE H A 59 ALA HA 1.0 . 5.20 379 326 A 60 ALA HB1 A 59 ALA HA 1.0 . 5.21 380 327 A 62 ALA H A 59 ALA HA 1.0 . 4.60 381 328 A 34 ILE H A 33 ASN HA 1.0 . 3.00 382 329 A 77 ARG HA A 77 ARG HGx 1.0 . 3.64 383 329 A 77 ARG HA A 77 ARG HGy 1.0 . 3.64 384 330 A 77 ARG HA A 78 VAL H 1.0 . 3.31 385 331 A 41 LYS H A 40 LYS HA 1.0 . 3.19 386 332 A 40 LYS HA A 40 LYS HDx 1.0 . 4.43 387 332 A 40 LYS HA A 40 LYS HDy 1.0 . 4.43 388 333 A 40 LYS HA A 41 LYS HDx 1.0 . 5.20 389 333 A 41 LYS HDy A 40 LYS HA 1.0 . 5.20 390 334 A 40 LYS HA A 41 LYS HBx 1.0 . 5.20 391 335 A 15 LEU H A 14 ASN HA 1.0 . 3.74 392 336 A 47 ALA H A 14 ASN HA 1.0 . 4.47 393 337 A 39 VAL H A 38 ASP HA 1.0 . 2.89 394 338 A 38 ASP H A 38 ASP HA 1.0 . 4.20 395 339 A 83 ASN HA A 84 ALA HB1 1.0 . 4.49 396 340 A 83 ASN HA A 84 ALA H 1.0 . 3.25 397 341 A 56 ALA H A 55 ASP HA 1.0 . 3.19 398 342 A 55 ASP HA A 56 ALA HB1 1.0 . 4.56 399 343 A 85 ARG H A 84 ALA HA 1.0 . 3.30 400 344 A 47 ALA H A 46 ALA HA 1.0 . 3.02 401 345 A 14 ASN HA A 46 ALA HA 1.0 . 3.68 402 346 A 47 ALA HA A 41 LYS HBx 1.0 . 4.98 403 347 A 47 ALA HA A 41 LYS HDx 1.0 . 5.20 404 347 A 41 LYS HDy A 47 ALA HA 1.0 . 5.20 405 348 A 47 ALA HA A 42 THR HG21 1.0 . 5.10 406 349 A 48 PHE H A 47 ALA HA 1.0 . 3.10 407 350 A 47 ALA HA A 41 LYS HA 1.0 . 3.35 408 351 A 15 LEU HBx A 16 PRO HDy 1.0 . 4.83 409 352 A 15 LEU HBx A 16 PRO HDx 1.0 . 4.48 410 353 A 48 PHE H A 49 ALA HA 1.0 . 5.04 411 354 A 51 ILE H A 49 ALA HA 1.0 . 5.20 412 355 A 40 LYS H A 49 ALA HA 1.0 . 3.94 413 356 A 50 PHE H A 49 ALA HA 1.0 . 3.15 414 357 A 39 VAL HA A 49 ALA HA 1.0 . 3.37 415 358 A 39 VAL HG21 A 49 ALA HA 1.0 . 4.43 416 359 A 39 VAL HG11 A 49 ALA HA 1.0 . 5.20 417 360 A 56 ALA H A 55 ASP HBy 1.0 . 4.64 418 361 A 57 ARG H A 55 ASP HBy 1.0 . 4.67 419 362 A 58 ASP H A 55 ASP HBy 1.0 . 4.57 420 363 A 36 LYS HDy A 38 ASP HBy 1.0 . 4.90 421 363 A 38 ASP HBy A 36 LYS HDx 1.0 . 4.90 422 364 A 36 LYS HBx A 38 ASP HBy 1.0 . 5.20 423 365 A 38 ASP HBy A 36 LYS HGx 1.0 . 5.10 424 365 A 36 LYS HGy A 38 ASP HBy 1.0 . 5.10 425 366 A 37 CYS HA A 38 ASP HBy 1.0 . 4.97 426 367 A 50 PHE HBy A 38 ASP HBy 1.0 . 4.65 427 367 A 38 ASP HBy A 50 PHE HBx 1.0 . 4.65 428 368 A 37 CYS HBy A 38 ASP HBy 1.0 . 5.20 429 369 A 54 GLU HGx A 55 ASP HBx 1.0 . 5.19 430 370 A 56 ALA H A 55 ASP HBx 1.0 . 4.75 431 371 A 38 ASP H A 38 ASP HBx 1.0 . 3.70 432 372 A 39 VAL H A 38 ASP HBx 1.0 . 4.20 433 373 A 38 ASP H A 38 ASP HBy 1.0 . 3.63 434 374 A 9 ARG HBx A 9 ARG HDx 1.0 . 4.04 435 374 A 9 ARG HBy A 9 ARG HDx 1.0 . 4.04 436 374 A 9 ARG HDy A 9 ARG HBx 1.0 . 4.04 437 374 A 9 ARG HBy A 9 ARG HDy 1.0 . 4.04 438 375 A 77 ARG HA A 77 ARG HDy 1.0 . 4.81 439 376 A 77 ARG HA A 77 ARG HDx 1.0 . 4.62 440 377 A 57 ARG HA A 57 ARG HDx 1.0 . 4.81 441 377 A 57 ARG HA A 57 ARG HDy 1.0 . 4.81 442 378 A 55 ASP HBx A 57 ARG HDx 1.0 . 4.99 443 378 A 55 ASP HBx A 57 ARG HDy 1.0 . 4.99 444 379 A 11 TYR HE% A 13 GLY HAx 1.0 . 4.43 445 380 A 29 ARG HBx A 29 ARG HDx 1.0 . 4.27 446 380 A 29 ARG HBx A 29 ARG HDy 1.0 . 4.27 447 381 A 77 ARG HBy A 77 ARG HDx 1.0 . 3.71 448 381 A 77 ARG HBx A 77 ARG HDx 1.0 . 3.71 449 382 A 57 ARG HBy A 57 ARG HDx 1.0 . 3.63 450 382 A 57 ARG HBx A 57 ARG HDx 1.0 . 3.63 451 382 A 57 ARG HDy A 57 ARG HBx 1.0 . 3.63 452 382 A 57 ARG HDy A 57 ARG HBy 1.0 . 3.63 453 383 A 85 ARG HA A 85 ARG HDx 1.0 . 4.76 454 383 A 85 ARG HA A 85 ARG HDy 1.0 . 4.76 455 384 A 22 ARG HA A 22 ARG HDx 1.0 . 4.15 456 384 A 22 ARG HA A 22 ARG HDy 1.0 . 4.15 457 385 A 71 PHE H A 70 ASP HBy 1.0 . 4.85 458 386 A 70 ASP H A 70 ASP HBy 1.0 . 3.40 459 387 A 70 ASP H A 70 ASP HBx 1.0 . 3.37 460 388 A 36 LYS H A 35 LEU HBx 1.0 . 4.98 461 388 A 36 LYS H A 35 LEU HBy 1.0 . 4.98 462 389 A 50 PHE H A 50 PHE HBx 1.0 . 4.04 463 389 A 50 PHE H A 50 PHE HBy 1.0 . 4.04 464 390 A 39 VAL HG11 A 50 PHE HBx 1.0 . 4.96 465 390 A 50 PHE HBy A 39 VAL HG11 1.0 . 4.96 466 391 A 51 ILE HG1x A 50 PHE HBx 1.0 . 5.20 467 391 A 50 PHE HBy A 51 ILE HG1x 1.0 . 5.20 468 392 A 39 VAL HG21 A 50 PHE HBx 1.0 . 5.20 469 392 A 50 PHE HBy A 39 VAL HG21 1.0 . 5.20 470 393 A 39 VAL HG21 A 41 LYS HEx 1.0 . 5.20 471 393 A 39 VAL HG21 A 41 LYS HEy 1.0 . 5.20 472 394 A 51 ILE H A 50 PHE HBx 1.0 . 4.80 473 394 A 50 PHE HBy A 51 ILE H 1.0 . 4.80 474 395 A 52 GLU H A 50 PHE HBx 1.0 . 5.20 475 395 A 52 GLU H A 50 PHE HBy 1.0 . 5.20 476 396 A 74 ASN H A 75 LYS HEx 1.0 . 4.52 477 396 A 75 LYS HEy A 74 ASN H 1.0 . 4.52 478 397 A 64 LYS HEx A 65 GLU HBx 1.0 . 5.15 479 397 A 64 LYS HEy A 65 GLU HBx 1.0 . 5.15 480 397 A 65 GLU HBy A 64 LYS HEx 1.0 . 5.15 481 397 A 64 LYS HEy A 65 GLU HBy 1.0 . 5.15 482 398 A 65 GLU HGx A 64 LYS HEx 1.0 . 5.20 483 398 A 65 GLU HGx A 64 LYS HEy 1.0 . 5.20 484 399 A 37 CYS HA A 50 PHE HBx 1.0 . 4.05 485 399 A 50 PHE HBy A 37 CYS HA 1.0 . 4.05 486 400 A 42 THR HA A 41 LYS HEx 1.0 . 5.20 487 400 A 42 THR HA A 41 LYS HEy 1.0 . 5.20 488 401 A 37 CYS HA A 36 LYS HEx 1.0 . 5.20 489 401 A 36 LYS HEy A 37 CYS HA 1.0 . 5.20 490 402 A 73 GLY HAx A 75 LYS HEx 1.0 . 4.72 491 402 A 75 LYS HEy A 73 GLY HAx 1.0 . 4.72 492 403 A 75 LYS HEy A 75 LYS HGx 1.0 . 4.27 493 403 A 75 LYS HEx A 75 LYS HGx 1.0 . 4.27 494 403 A 75 LYS HGy A 75 LYS HEx 1.0 . 4.27 495 403 A 75 LYS HEy A 75 LYS HGy 1.0 . 4.27 496 404 A 40 LYS HEy A 40 LYS HGx 1.0 . 4.20 497 404 A 40 LYS HEx A 40 LYS HGx 1.0 . 4.20 498 404 A 40 LYS HGy A 40 LYS HEx 1.0 . 4.20 499 404 A 40 LYS HGy A 40 LYS HEy 1.0 . 4.20 500 405 A 36 LYS HEy A 38 ASP HBx 1.0 . 4.86 501 405 A 36 LYS HEx A 38 ASP HBx 1.0 . 4.86 502 406 A 31 TYR HE% A 66 LYS HEx 1.0 . 4.39 503 406 A 31 TYR HE% A 66 LYS HEy 1.0 . 4.39 504 407 A 66 LYS HEx A 66 LYS HGx 1.0 . 4.11 505 407 A 66 LYS HEy A 66 LYS HGx 1.0 . 4.11 506 407 A 66 LYS HGy A 66 LYS HEx 1.0 . 4.11 507 407 A 66 LYS HEy A 66 LYS HGy 1.0 . 4.11 508 408 A 66 LYS HA A 66 LYS HEx 1.0 . 4.59 509 408 A 66 LYS HEy A 66 LYS HA 1.0 . 4.59 510 409 A 59 ALA HB1 A 30 LYS HEx 1.0 . 4.34 511 409 A 30 LYS HEy A 59 ALA HB1 1.0 . 4.34 512 410 A 31 TYR HE% A 30 LYS HEx 1.0 . 5.38 513 410 A 30 LYS HEy A 31 TYR HE% 1.0 . 5.38 514 411 A 65 GLU HGy A 66 LYS HEx 1.0 . 2.92 515 411 A 66 LYS HEy A 65 GLU HGy 1.0 . 2.92 516 412 A 67 ASP HBy A 67 ASP H 1.0 . 3.74 517 413 A 67 ASP HBy A 78 VAL HG21 1.0 . 5.52 518 414 A 49 ALA H A 48 PHE HBy 1.0 . 4.61 519 415 A 49 ALA H A 48 PHE HBx 1.0 . 4.63 520 416 A 67 ASP H A 67 ASP HBx 1.0 . 3.71 521 417 A 78 VAL HB A 67 ASP HBx 1.0 . 4.32 522 418 A 54 GLU H A 53 PHE HBy 1.0 . 4.37 523 419 A 28 PHE HBy A 51 ILE HD11 1.0 . 5.37 524 420 A 23 ASP HBy A 20 SER H 1.0 . 4.09 525 421 A 23 ASP HBy A 23 ASP H 1.0 . 3.84 526 422 A 24 VAL H A 23 ASP HBy 1.0 . 5.20 527 423 A 23 ASP HBy A 19 VAL HB 1.0 . 4.42 528 424 A 23 ASP HBy A 24 VAL HG11 1.0 . 4.22 529 425 A 23 ASP HBx A 24 VAL HG11 1.0 . 5.50 530 426 A 23 ASP HBx A 19 VAL HB 1.0 . 4.37 531 427 A 20 SER H A 23 ASP HBx 1.0 . 4.50 532 428 A 23 ASP HBx A 23 ASP H 1.0 . 3.84 533 429 A 24 VAL H A 23 ASP HBx 1.0 . 5.20 534 430 A 51 ILE HD11 A 28 PHE HBx 1.0 . 5.11 535 431 A 28 PHE H A 28 PHE HBx 1.0 . 4.24 536 432 A 12 VAL H A 11 TYR HBy 1.0 . 4.96 537 432 A 12 VAL H A 11 TYR HBx 1.0 . 4.96 538 433 A 11 TYR H A 11 TYR HBy 1.0 . 3.78 539 433 A 11 TYR H A 11 TYR HBx 1.0 . 3.78 540 434 A 51 ILE HB A 82 PHE HE% 1.0 . 5.02 541 435 A 51 ILE H A 51 ILE HB 1.0 . 4.20 542 436 A 51 ILE HB A 10 ILE HD11 1.0 . 4.53 543 437 A 24 VAL HG21 A 51 ILE HB 1.0 . 5.20 544 438 A 61 ASP H A 61 ASP HBy 1.0 . 3.76 545 439 A 61 ASP H A 61 ASP HBx 1.0 . 3.74 546 440 A 62 ALA H A 61 ASP HBx 1.0 . 4.11 547 441 A 59 ALA H A 58 ASP HBy 1.0 . 4.43 548 442 A 58 ASP H A 58 ASP HBx 1.0 . 4.40 549 443 A 34 ILE HB A 51 ILE HA 1.0 . 5.50 550 444 A 33 ASN HA A 34 ILE HB 1.0 . 5.20 551 445 A 34 ILE HB A 34 ILE HD11 1.0 . 3.84 552 446 A 74 ASN HBy A 75 LYS H 1.0 . 4.81 553 447 A 74 ASN HBy A 74 ASN H 1.0 . 4.02 554 448 A 75 LYS H A 74 ASN HBx 1.0 . 4.94 555 449 A 74 ASN H A 74 ASN HBx 1.0 . 4.14 556 450 A 73 GLY HAx A 74 ASN HBx 1.0 . 4.80 557 451 A 58 ASP H A 58 ASP HBy 1.0 . 4.13 558 452 A 59 ALA H A 58 ASP HBx 1.0 . 4.59 559 453 A 82 PHE H A 82 PHE HBy 1.0 . 4.04 560 454 A 82 PHE H A 82 PHE HBx 1.0 . 4.06 561 455 A 63 ILE H A 63 ILE HB 1.0 . 3.75 562 456 A 63 ILE HB A 66 LYS HGx 1.0 . 5.17 563 456 A 66 LYS HGy A 63 ILE HB 1.0 . 5.17 564 457 A 63 ILE HB A 64 LYS HGy 1.0 . 5.20 565 457 A 63 ILE HB A 64 LYS HGx 1.0 . 5.20 566 458 A 60 ALA HB1 A 63 ILE HB 1.0 . 5.20 567 459 A 83 ASN H A 83 ASN HBy 1.0 . 4.23 568 460 A 83 ASN H A 83 ASN HBx 1.0 . 4.26 569 461 A 84 ALA H A 83 ASN HBx 1.0 . 4.56 570 462 A 33 ASN HBy A 54 GLU HBx 1.0 . 4.40 571 462 A 33 ASN HBy A 54 GLU HBy 1.0 . 4.40 572 463 A 33 ASN H A 33 ASN HBy 1.0 . 3.65 573 464 A 34 ILE H A 33 ASN HBy 1.0 . 4.51 574 465 A 33 ASN H A 33 ASN HBx 1.0 . 3.70 575 466 A 33 ASN HBx A 54 GLU HBx 1.0 . 4.29 576 466 A 54 GLU HBy A 33 ASN HBx 1.0 . 4.29 577 467 A 54 GLU HGx A 33 ASN HBx 1.0 . 4.26 578 468 A 26 ASN H A 26 ASN HBy 1.0 . 3.65 579 469 A 27 GLU H A 26 ASN HBy 1.0 . 4.96 580 470 A 26 ASN H A 26 ASN HBx 1.0 . 3.54 581 471 A 31 TYR HBx A 62 ALA HB1 1.0 . 5.21 582 472 A 31 TYR HE% A 65 GLU HGy 1.0 . 4.74 583 473 A 65 GLU HA A 65 GLU HGy 1.0 . 4.07 584 474 A 65 GLU H A 65 GLU HGy 1.0 . 4.16 585 475 A 65 GLU HGy A 66 LYS HBx 1.0 . 3.84 586 475 A 66 LYS HBy A 65 GLU HGy 1.0 . 3.84 587 476 A 64 LYS HDy A 65 GLU HGy 1.0 . 4.21 588 477 A 65 GLU HGy A 64 LYS HGy 1.0 . 5.31 589 477 A 65 GLU HGy A 64 LYS HGx 1.0 . 5.31 590 478 A 65 GLU HGy A 66 LYS HGx 1.0 . 5.20 591 478 A 66 LYS HGy A 65 GLU HGy 1.0 . 5.20 592 479 A 65 GLU H A 65 GLU HGx 1.0 . 4.22 593 480 A 31 TYR HE% A 65 GLU HGx 1.0 . 4.97 594 481 A 64 LYS HDy A 65 GLU HGx 1.0 . 5.50 595 482 A 34 ILE HD11 A 25 GLU HGx 1.0 . 4.92 596 482 A 25 GLU HGy A 34 ILE HD11 1.0 . 4.92 597 483 A 65 GLU HGx A 64 LYS HGy 1.0 . 5.13 598 483 A 65 GLU HGx A 64 LYS HGx 1.0 . 5.13 599 484 A 65 GLU HGx A 66 LYS HGx 1.0 . 5.20 600 484 A 65 GLU HGx A 66 LYS HGy 1.0 . 5.20 601 485 A 25 GLU HBx A 25 GLU HGx 1.0 . 2.92 602 485 A 25 GLU HGy A 25 GLU HBx 1.0 . 2.92 603 486 A 37 CYS H A 36 LYS HBy 1.0 . 4.68 604 487 A 35 LEU HD21 A 54 GLU HGx 1.0 . 5.41 605 488 A 37 CYS H A 36 LYS HBx 1.0 . 4.78 606 489 A 54 GLU H A 54 GLU HGy 1.0 . 4.80 607 490 A 35 LEU HD21 A 54 GLU HGy 1.0 . 5.42 608 491 A 54 GLU H A 54 GLU HGx 1.0 . 5.07 609 492 A 54 GLU HA A 54 GLU HGx 1.0 . 4.15 610 493 A 35 LEU HD11 A 54 GLU HGx 1.0 . 5.25 611 494 A 86 GLU H A 86 GLU HGx 1.0 . 4.91 612 494 A 86 GLU H A 86 GLU HGy 1.0 . 4.91 613 495 A 86 GLU HBx A 86 GLU HGx 1.0 . 2.67 614 495 A 86 GLU HBy A 86 GLU HGx 1.0 . 2.67 615 495 A 86 GLU HGy A 86 GLU HBx 1.0 . 2.67 616 495 A 86 GLU HGy A 86 GLU HBy 1.0 . 2.67 617 496 A 5 GLU H A 5 GLU HGx 1.0 . 4.48 618 496 A 5 GLU HGy A 5 GLU H 1.0 . 4.48 619 497 A 5 GLU HA A 5 GLU HGx 1.0 . 4.16 620 497 A 5 GLU HGy A 5 GLU HA 1.0 . 4.16 621 498 A 5 GLU HBy A 5 GLU HGx 1.0 . 3.01 622 498 A 5 GLU HGy A 5 GLU HBy 1.0 . 3.01 623 499 A 41 LYS H A 40 LYS HBy 1.0 . 4.14 624 500 A 40 LYS H A 40 LYS HBx 1.0 . 4.14 625 501 A 41 LYS H A 40 LYS HBx 1.0 . 4.63 626 502 A 40 LYS HBx A 48 PHE HD% 1.0 . 5.01 627 503 A 42 THR H A 41 LYS HBy 1.0 . 4.30 628 504 A 41 LYS H A 41 LYS HBy 1.0 . 4.19 629 505 A 42 THR H A 41 LYS HBx 1.0 . 4.53 630 506 A 40 LYS H A 41 LYS HBx 1.0 . 5.20 631 507 A 41 LYS H A 41 LYS HBx 1.0 . 4.12 632 508 A 72 GLU H A 72 GLU HGy 1.0 . 4.49 633 509 A 72 GLU H A 72 GLU HGx 1.0 . 4.43 634 510 A 79 GLU H A 79 GLU HGy 1.0 . 5.11 635 511 A 80 VAL H A 79 GLU HGy 1.0 . 5.04 636 512 A 80 VAL H A 79 GLU HBy 1.0 . 4.51 637 513 A 80 VAL H A 79 GLU HBx 1.0 . 4.25 638 514 A 66 LYS H A 66 LYS HBx 1.0 . 4.06 639 514 A 66 LYS H A 66 LYS HBy 1.0 . 4.06 640 515 A 66 LYS HBy A 66 LYS HDx 1.0 . 3.64 641 515 A 66 LYS HBx A 66 LYS HDx 1.0 . 3.64 642 515 A 66 LYS HDy A 66 LYS HBx 1.0 . 3.64 643 515 A 66 LYS HBy A 66 LYS HDy 1.0 . 3.64 644 516 A 67 ASP HBy A 78 VAL HB 1.0 . 3.79 645 517 A 78 VAL HB A 63 ILE HD11 1.0 . 3.96 646 518 A 78 VAL H A 78 VAL HB 1.0 . 4.20 647 519 A 9 ARG H A 9 ARG HBx 1.0 . 4.24 648 519 A 9 ARG H A 9 ARG HBy 1.0 . 4.24 649 520 A 12 VAL H A 12 VAL HB 1.0 . 4.25 650 521 A 40 LYS H A 39 VAL HB 1.0 . 5.01 651 522 A 39 VAL HB A 39 VAL H 1.0 . 3.55 652 523 A 8 SER H A 7 VAL HB 1.0 . 4.07 653 524 A 7 VAL H A 7 VAL HB 1.0 . 4.00 654 525 A 24 VAL H A 19 VAL HB 1.0 . 5.01 655 526 A 24 VAL HG11 A 19 VAL HB 1.0 . 4.74 656 527 A 64 LYS H A 64 LYS HBx 1.0 . 3.52 657 527 A 64 LYS H A 64 LYS HBy 1.0 . 3.52 658 528 A 65 GLU H A 64 LYS HBx 1.0 . 4.04 659 528 A 65 GLU H A 64 LYS HBy 1.0 . 4.04 660 529 A 20 SER H A 19 VAL HB 1.0 . 5.00 661 530 A 77 ARG H A 77 ARG HBx 1.0 . 4.32 662 530 A 77 ARG H A 77 ARG HBy 1.0 . 4.32 663 531 A 78 VAL H A 77 ARG HBx 1.0 . 4.69 664 531 A 78 VAL H A 77 ARG HBy 1.0 . 4.69 665 532 A 17 SER H A 16 PRO HBy 1.0 . 4.34 666 533 A 75 LYS HBy A 75 LYS HEx 1.0 . 4.88 667 533 A 75 LYS HEy A 75 LYS HBy 1.0 . 4.88 668 534 A 75 LYS H A 75 LYS HBy 1.0 . 3.84 669 535 A 75 LYS H A 75 LYS HBx 1.0 . 3.97 670 536 A 43 VAL H A 43 VAL HB 1.0 . 3.56 671 537 A 44 SER H A 43 VAL HB 1.0 . 4.49 672 538 A 36 LYS H A 52 GLU HBy 1.0 . 4.52 673 538 A 36 LYS H A 52 GLU HBx 1.0 . 4.52 674 539 A 25 GLU H A 24 VAL HB 1.0 . 3.80 675 540 A 24 VAL H A 24 VAL HB 1.0 . 3.58 676 541 A 4 ARG HGy A 4 ARG HBx 1.0 . 2.96 677 541 A 4 ARG HBy A 4 ARG HGy 1.0 . 2.96 678 542 A 30 LYS H A 30 LYS HBy 1.0 . 4.08 679 543 A 30 LYS H A 30 LYS HBx 1.0 . 4.08 680 544 A 35 LEU HG A 54 GLU HBx 1.0 . 4.52 681 544 A 54 GLU HBy A 35 LEU HG 1.0 . 4.52 682 545 A 35 LEU HD11 A 54 GLU HBx 1.0 . 4.68 683 545 A 35 LEU HD11 A 54 GLU HBy 1.0 . 4.68 684 546 A 54 GLU H A 54 GLU HBx 1.0 . 4.01 685 546 A 54 GLU H A 54 GLU HBy 1.0 . 4.01 686 547 A 54 GLU HGx A 54 GLU HBx 1.0 . 3.03 687 547 A 54 GLU HGx A 54 GLU HBy 1.0 . 3.03 688 548 A 5 GLU HBx A 5 GLU HGx 1.0 . 4.20 689 548 A 5 GLU HBx A 5 GLU HGy 1.0 . 4.20 690 549 A 86 GLU H A 85 ARG HBy 1.0 . 4.43 691 550 A 85 ARG H A 85 ARG HBx 1.0 . 4.34 692 551 A 6 SER H A 5 GLU HBy 1.0 . 4.58 693 552 A 5 GLU H A 5 GLU HBy 1.0 . 4.14 694 553 A 5 GLU HBx A 5 GLU H 1.0 . 4.09 695 554 A 5 GLU HBx A 6 SER H 1.0 . 4.56 696 555 A 30 LYS H A 30 LYS HDx 1.0 . 4.95 697 555 A 30 LYS H A 30 LYS HDy 1.0 . 4.95 698 556 A 22 ARG H A 22 ARG HBy 1.0 . 3.78 699 557 A 22 ARG H A 22 ARG HBx 1.0 . 3.83 700 558 A 22 ARG HBx A 23 ASP H 1.0 . 4.06 701 559 A 64 LYS H A 64 LYS HDx 1.0 . 4.20 702 560 A 25 GLU HBy A 34 ILE HD11 1.0 . 5.27 703 561 A 25 GLU H A 25 GLU HBy 1.0 . 3.84 704 562 A 26 ASN H A 25 GLU HBy 1.0 . 4.34 705 563 A 29 ARG H A 29 ARG HBy 1.0 . 4.15 706 564 A 27 GLU H A 27 GLU HBx 1.0 . 3.84 707 564 A 27 GLU H A 27 GLU HBy 1.0 . 3.84 708 565 A 26 ASN H A 25 GLU HBx 1.0 . 4.13 709 566 A 25 GLU H A 25 GLU HBx 1.0 . 3.81 710 567 A 25 GLU HBx A 22 ARG HGx 1.0 . 4.88 711 567 A 22 ARG HGy A 25 GLU HBx 1.0 . 4.88 712 568 A 25 GLU HBx A 29 ARG HGx 1.0 . 5.20 713 569 A 29 ARG HGx A 27 GLU HBx 1.0 . 5.20 714 569 A 27 GLU HBy A 29 ARG HGx 1.0 . 5.20 715 570 A 29 ARG HBx A 30 LYS H 1.0 . 4.96 716 571 A 23 ASP H A 22 ARG HBy 1.0 . 3.95 717 572 A 64 LYS H A 64 LYS HDy 1.0 . 4.20 718 573 A 57 ARG H A 57 ARG HBx 1.0 . 3.63 719 573 A 57 ARG H A 57 ARG HBy 1.0 . 3.63 720 574 A 58 ASP H A 57 ARG HBx 1.0 . 4.62 721 574 A 58 ASP H A 57 ARG HBy 1.0 . 4.62 722 575 A 56 ALA H A 57 ARG HBx 1.0 . 5.01 723 575 A 56 ALA H A 57 ARG HBy 1.0 . 5.01 724 576 A 64 LYS HDx A 64 LYS HBx 1.0 . 3.89 725 576 A 64 LYS HDx A 64 LYS HBy 1.0 . 3.89 726 577 A 64 LYS HDx A 64 LYS HA 1.0 . 4.66 727 578 A 26 ASN HA A 29 ARG HBy 1.0 . 4.91 728 579 A 26 ASN HA A 27 GLU HBx 1.0 . 5.20 729 579 A 27 GLU HBy A 26 ASN HA 1.0 . 5.20 730 580 A 75 LYS HA A 75 LYS HDx 1.0 . 5.00 731 580 A 75 LYS HDy A 75 LYS HA 1.0 . 5.00 732 581 A 75 LYS H A 75 LYS HDx 1.0 . 5.11 733 581 A 75 LYS H A 75 LYS HDy 1.0 . 5.11 734 582 A 39 VAL H A 40 LYS HDx 1.0 . 5.20 735 582 A 39 VAL H A 40 LYS HDy 1.0 . 5.20 736 583 A 41 LYS H A 41 LYS HDx 1.0 . 5.03 737 583 A 41 LYS H A 41 LYS HDy 1.0 . 5.03 738 584 A 69 CYS HBy A 79 GLU HBy 1.0 . 4.81 739 585 A 69 CYS H A 69 CYS HBy 1.0 . 3.61 740 586 A 70 ASP H A 69 CYS HBy 1.0 . 4.46 741 587 A 69 CYS HBx A 69 CYS H 1.0 . 3.65 742 588 A 40 LYS H A 40 LYS HDx 1.0 . 4.89 743 588 A 40 LYS H A 40 LYS HDy 1.0 . 4.89 744 589 A 42 THR H A 41 LYS HDx 1.0 . 5.20 745 589 A 42 THR H A 41 LYS HDy 1.0 . 5.20 746 590 A 48 PHE HD% A 40 LYS HDx 1.0 . 5.19 747 590 A 40 LYS HDy A 48 PHE HD% 1.0 . 5.19 748 591 A 48 PHE HD% A 41 LYS HDx 1.0 . 5.20 749 591 A 41 LYS HDy A 48 PHE HD% 1.0 . 5.20 750 592 A 42 THR HA A 41 LYS HDx 1.0 . 4.52 751 592 A 42 THR HA A 41 LYS HDy 1.0 . 4.52 752 593 A 37 CYS HA A 36 LYS HDx 1.0 . 5.20 753 593 A 36 LYS HDy A 37 CYS HA 1.0 . 5.20 754 594 A 40 LYS HA A 40 LYS HDx 1.0 . 4.24 755 594 A 40 LYS HA A 40 LYS HDy 1.0 . 4.24 756 595 A 40 LYS HA A 41 LYS HDx 1.0 . 5.20 757 595 A 41 LYS HDy A 40 LYS HA 1.0 . 5.20 758 596 A 39 VAL HA A 40 LYS HDx 1.0 . 5.20 759 596 A 39 VAL HA A 40 LYS HDy 1.0 . 5.20 760 597 A 66 LYS HA A 66 LYS HDx 1.0 . 4.02 761 597 A 66 LYS HA A 66 LYS HDy 1.0 . 4.02 762 598 A 10 ILE H A 9 ARG HGy 1.0 . 5.18 763 599 A 9 ARG H A 9 ARG HGy 1.0 . 5.21 764 600 A 10 ILE H A 9 ARG HGx 1.0 . 5.09 765 601 A 51 ILE HG1x A 49 ALA HB1 1.0 . 5.44 766 602 A 37 CYS H A 37 CYS HBy 1.0 . 4.05 767 603 A 38 ASP H A 37 CYS HBx 1.0 . 4.81 768 604 A 29 ARG H A 29 ARG HGy 1.0 . 4.85 769 605 A 26 ASN HA A 29 ARG HGx 1.0 . 5.13 770 606 A 35 LEU H A 35 LEU HG 1.0 . 4.87 771 607 A 51 ILE H A 51 ILE HG1y 1.0 . 4.71 772 608 A 52 GLU H A 51 ILE HG1y 1.0 . 5.20 773 609 A 24 VAL HG11 A 51 ILE HG1y 1.0 . 4.26 774 610 A 51 ILE H A 51 ILE HG1x 1.0 . 4.97 775 611 A 34 ILE HD11 A 37 CYS HBx 1.0 . 4.28 776 612 A 37 CYS H A 37 CYS HBx 1.0 . 4.26 777 613 A 58 ASP H A 57 ARG HGx 1.0 . 5.00 778 613 A 58 ASP H A 57 ARG HGy 1.0 . 5.00 779 614 A 29 ARG H A 29 ARG HGx 1.0 . 5.07 780 615 A 78 VAL H A 77 ARG HGx 1.0 . 4.54 781 615 A 78 VAL H A 77 ARG HGy 1.0 . 4.54 782 616 A 77 ARG HBx A 77 ARG HGx 1.0 . 2.66 783 616 A 77 ARG HBy A 77 ARG HGx 1.0 . 2.66 784 616 A 77 ARG HGy A 77 ARG HBx 1.0 . 2.66 785 616 A 77 ARG HGy A 77 ARG HBy 1.0 . 2.66 786 617 A 77 ARG H A 77 ARG HGx 1.0 . 4.17 787 617 A 77 ARG H A 77 ARG HGy 1.0 . 4.17 788 618 A 85 ARG H A 85 ARG HGx 1.0 . 4.83 789 618 A 85 ARG HGy A 85 ARG H 1.0 . 4.83 790 619 A 57 ARG H A 57 ARG HGx 1.0 . 3.79 791 619 A 57 ARG H A 57 ARG HGy 1.0 . 3.79 792 620 A 57 ARG HBx A 57 ARG HGx 1.0 . 2.78 793 620 A 57 ARG HBy A 57 ARG HGx 1.0 . 2.78 794 620 A 57 ARG HGy A 57 ARG HBx 1.0 . 2.78 795 620 A 57 ARG HGy A 57 ARG HBy 1.0 . 2.78 796 621 A 23 ASP H A 22 ARG HGx 1.0 . 4.40 797 621 A 22 ARG HGy A 23 ASP H 1.0 . 4.40 798 622 A 22 ARG H A 22 ARG HGx 1.0 . 4.20 799 622 A 22 ARG H A 22 ARG HGy 1.0 . 4.20 800 623 A 49 ALA H A 15 LEU HD11 1.0 . 5.44 801 624 A 15 LEU H A 15 LEU HD11 1.0 . 5.25 802 625 A 10 ILE H A 10 ILE HG1x 1.0 . 4.91 803 625 A 10 ILE H A 10 ILE HG1y 1.0 . 4.91 804 626 A 35 LEU HD11 A 35 LEU HBx 1.0 . 4.12 805 626 A 35 LEU HBy A 35 LEU HD11 1.0 . 4.12 806 627 A 41 LYS H A 41 LYS HGx 1.0 . 4.80 807 627 A 41 LYS H A 41 LYS HGy 1.0 . 4.80 808 628 A 40 LYS HGy A 41 LYS HEx 1.0 . 4.33 809 628 A 40 LYS HGx A 41 LYS HEx 1.0 . 4.33 810 628 A 41 LYS HEy A 40 LYS HGx 1.0 . 4.33 811 628 A 40 LYS HGy A 41 LYS HEy 1.0 . 4.33 812 629 A 40 LYS HGy A 50 PHE HBx 1.0 . 5.20 813 629 A 40 LYS HGx A 50 PHE HBx 1.0 . 5.20 814 629 A 50 PHE HBy A 40 LYS HGx 1.0 . 5.20 815 629 A 50 PHE HBy A 40 LYS HGy 1.0 . 5.20 816 630 A 36 LYS HEy A 40 LYS HGx 1.0 . 5.20 817 630 A 36 LYS HEx A 40 LYS HGx 1.0 . 5.20 818 630 A 40 LYS HGy A 36 LYS HEx 1.0 . 5.20 819 630 A 36 LYS HEy A 40 LYS HGy 1.0 . 5.20 820 631 A 64 LYS HA A 64 LYS HGy 1.0 . 4.42 821 631 A 64 LYS HGx A 64 LYS HA 1.0 . 4.42 822 632 A 40 LYS H A 40 LYS HGx 1.0 . 4.36 823 632 A 40 LYS H A 40 LYS HGy 1.0 . 4.36 824 633 A 40 LYS HDy A 40 LYS HGx 1.0 . 3.20 825 633 A 40 LYS HDx A 40 LYS HGx 1.0 . 3.20 826 633 A 40 LYS HGy A 40 LYS HDx 1.0 . 3.20 827 633 A 40 LYS HGy A 40 LYS HDy 1.0 . 3.20 828 634 A 75 LYS HBx A 75 LYS HGx 1.0 . 5.20 829 634 A 75 LYS HGy A 75 LYS HBx 1.0 . 5.20 830 635 A 75 LYS HDy A 75 LYS HGx 1.0 . 5.20 831 635 A 75 LYS HDx A 75 LYS HGx 1.0 . 5.20 832 635 A 75 LYS HGy A 75 LYS HDx 1.0 . 5.20 833 635 A 75 LYS HGy A 75 LYS HDy 1.0 . 5.20 834 636 A 25 GLU H A 24 VAL HG11 1.0 . 4.78 835 637 A 24 VAL HG11 A 19 VAL HB 1.0 . 4.49 836 638 A 24 VAL HG11 A 25 GLU HBy 1.0 . 5.20 837 639 A 19 VAL HG11 A 24 VAL HG11 1.0 . 4.47 838 640 A 24 VAL H A 24 VAL HG11 1.0 . 3.62 839 641 A 66 LYS H A 66 LYS HGx 1.0 . 4.94 840 641 A 66 LYS H A 66 LYS HGy 1.0 . 4.94 841 642 A 49 ALA H A 49 ALA HB1 1.0 . 4.04 842 643 A 40 LYS H A 49 ALA HB1 1.0 . 5.12 843 644 A 39 VAL H A 49 ALA HB1 1.0 . 4.63 844 645 A 38 ASP H A 49 ALA HB1 1.0 . 5.20 845 646 A 50 PHE H A 49 ALA HB1 1.0 . 3.87 846 647 A 48 PHE HA A 49 ALA HB1 1.0 . 5.02 847 648 A 39 VAL HA A 49 ALA HB1 1.0 . 3.96 848 649 A 49 ALA HB1 A 50 PHE HBx 1.0 . 5.21 849 649 A 50 PHE HBy A 49 ALA HB1 1.0 . 5.21 850 650 A 49 ALA HB1 A 51 ILE HG1y 1.0 . 3.90 851 651 A 39 VAL HG11 A 49 ALA HB1 1.0 . 3.53 852 652 A 39 VAL HG21 A 49 ALA HB1 1.0 . 5.20 853 653 A 51 ILE HG1x A 49 ALA HB1 1.0 . 5.20 854 654 A 15 LEU HD11 A 49 ALA HB1 1.0 . 3.86 855 655 A 51 ILE H A 49 ALA HB1 1.0 . 5.28 856 656 A 48 PHE H A 49 ALA HB1 1.0 . 5.20 857 657 A 31 TYR H A 30 LYS HGy 1.0 . 5.16 858 658 A 31 TYR HE% A 30 LYS HGy 1.0 . 5.27 859 659 A 30 LYS HGy A 30 LYS H 1.0 . 4.37 860 660 A 30 LYS H A 30 LYS HGx 1.0 . 4.95 861 661 A 31 TYR H A 30 LYS HGx 1.0 . 5.07 862 662 A 12 VAL HG21 A 13 GLY H 1.0 . 4.49 863 663 A 12 VAL HG21 A 12 VAL HA 1.0 . 3.95 864 664 A 40 LYS H A 39 VAL HG11 1.0 . 4.56 865 665 A 77 ARG HA A 78 VAL HG21 1.0 . 5.01 866 666 A 79 GLU H A 78 VAL HG21 1.0 . 4.88 867 667 A 12 VAL HG21 A 13 GLY HAy 1.0 . 4.48 868 668 A 35 LEU H A 35 LEU HD21 1.0 . 5.35 869 669 A 39 VAL HG11 A 38 ASP HA 1.0 . 5.30 870 670 A 21 SER H A 39 VAL HG11 1.0 . 5.07 871 671 A 39 VAL H A 39 VAL HG11 1.0 . 4.01 872 672 A 20 SER HA A 39 VAL HG11 1.0 . 5.05 873 673 A 39 VAL HA A 39 VAL HG11 1.0 . 3.87 874 674 A 39 VAL HG11 A 49 ALA HB1 1.0 . 3.81 875 675 A 25 GLU H A 24 VAL HG21 1.0 . 4.73 876 676 A 24 VAL HG21 A 28 PHE HE% 1.0 . 4.80 877 677 A 24 VAL HA A 24 VAL HG21 1.0 . 3.82 878 678 A 24 VAL HG21 A 51 ILE HD11 1.0 . 4.01 879 679 A 48 PHE H A 42 THR HG21 1.0 . 4.99 880 680 A 41 LYS HA A 42 THR HG21 1.0 . 4.86 881 681 A 46 ALA H A 42 THR HG21 1.0 . 4.97 882 682 A 78 VAL HG21 A 77 ARG HGx 1.0 . 4.73 883 682 A 78 VAL HG21 A 77 ARG HGy 1.0 . 4.73 884 683 A 78 VAL HG21 A 78 VAL HA 1.0 . 4.03 885 684 A 67 ASP HBy A 78 VAL HG21 1.0 . 5.20 886 685 A 78 VAL H A 78 VAL HG21 1.0 . 4.24 887 686 A 35 LEU HD21 A 35 LEU HA 1.0 . 3.95 888 687 A 42 THR H A 42 THR HG21 1.0 . 3.62 889 688 A 42 THR HA A 42 THR HG21 1.0 . 3.40 890 689 A 44 SER H A 42 THR HG21 1.0 . 5.20 891 690 A 47 ALA HB1 A 42 THR H 1.0 . 4.93 892 691 A 40 LYS H A 47 ALA HB1 1.0 . 5.20 893 692 A 48 PHE H A 47 ALA HB1 1.0 . 3.75 894 693 A 47 ALA HB1 A 47 ALA H 1.0 . 3.60 895 694 A 47 ALA HB1 A 41 LYS HA 1.0 . 4.09 896 695 A 47 ALA HB1 A 46 ALA HA 1.0 . 4.52 897 696 A 47 ALA HB1 A 41 LYS HEx 1.0 . 5.05 898 696 A 47 ALA HB1 A 41 LYS HEy 1.0 . 5.05 899 697 A 47 ALA HB1 A 39 VAL HG21 1.0 . 4.54 900 698 A 47 ALA HB1 A 39 VAL HG11 1.0 . 5.20 901 699 A 47 ALA HB1 A 15 LEU HD11 1.0 . 4.42 902 700 A 24 VAL H A 19 VAL HG11 1.0 . 5.20 903 701 A 39 VAL HG21 A 49 ALA HB1 1.0 . 3.97 904 702 A 40 LYS H A 39 VAL HG21 1.0 . 3.93 905 703 A 39 VAL HA A 39 VAL HG21 1.0 . 3.76 906 704 A 39 VAL HG21 A 40 LYS HA 1.0 . 5.20 907 705 A 39 VAL HG21 A 50 PHE HBx 1.0 . 5.16 908 705 A 50 PHE HBy A 39 VAL HG21 1.0 . 5.16 909 706 A 39 VAL HG21 A 41 LYS HEx 1.0 . 5.20 910 706 A 39 VAL HG21 A 41 LYS HEy 1.0 . 5.20 911 707 A 47 ALA HB1 A 39 VAL HG21 1.0 . 4.25 912 708 A 43 VAL HG21 A 44 SER H 1.0 . 4.64 913 709 A 39 VAL H A 39 VAL HG21 1.0 . 4.78 914 710 A 13 GLY H A 12 VAL HG11 1.0 . 4.97 915 711 A 12 VAL H A 12 VAL HG11 1.0 . 4.29 916 712 A 15 LEU H A 46 ALA HB1 1.0 . 4.89 917 713 A 47 ALA HA A 46 ALA HB1 1.0 . 5.49 918 714 A 7 VAL HG21 A 8 SER H 1.0 . 4.92 919 715 A 7 VAL HG21 A 7 VAL HA 1.0 . 4.18 920 716 A 14 ASN H A 46 ALA HB1 1.0 . 5.46 921 717 A 47 ALA H A 46 ALA HB1 1.0 . 3.63 922 718 A 46 ALA H A 46 ALA HB1 1.0 . 3.44 923 719 A 14 ASN HA A 46 ALA HB1 1.0 . 4.12 924 720 A 45 GLY H A 46 ALA HB1 1.0 . 5.32 925 721 A 42 THR HG21 A 46 ALA HB1 1.0 . 2.98 926 722 A 7 VAL HG21 A 6 SER HA 1.0 . 5.20 927 723 A 84 ALA HB1 A 85 ARG HBy 1.0 . 4.59 928 724 A 84 ALA HB1 A 85 ARG HA 1.0 . 5.02 929 725 A 84 ALA H A 84 ALA HB1 1.0 . 3.64 930 726 A 86 GLU H A 84 ALA HB1 1.0 . 5.18 931 727 A 85 ARG H A 56 ALA HB1 1.0 . 5.29 932 728 A 57 ARG HA A 56 ALA HB1 1.0 . 4.37 933 729 A 56 ALA HB1 A 85 ARG HGx 1.0 . 4.05 934 729 A 85 ARG HGy A 56 ALA HB1 1.0 . 4.05 935 730 A 57 ARG H A 56 ALA HB1 1.0 . 4.24 936 731 A 56 ALA H A 56 ALA HB1 1.0 . 3.41 937 732 A 85 ARG HA A 56 ALA HB1 1.0 . 5.29 938 733 A 56 ALA HB1 A 85 ARG HBx 1.0 . 4.21 939 734 A 63 ILE H A 62 ALA HB1 1.0 . 3.96 940 735 A 62 ALA H A 62 ALA HB1 1.0 . 3.37 941 736 A 63 ILE HA A 62 ALA HB1 1.0 . 5.46 942 737 A 59 ALA HA A 62 ALA HB1 1.0 . 3.86 943 738 A 59 ALA HB1 A 62 ALA HB1 1.0 . 4.41 944 739 A 63 ILE HG21 A 62 ALA HB1 1.0 . 4.53 945 740 A 63 ILE HD11 A 62 ALA HB1 1.0 . 5.20 946 741 A 63 ILE HG21 A 60 ALA HA 1.0 . 5.39 947 742 A 10 ILE H A 10 ILE HG21 1.0 . 4.42 948 743 A 10 ILE HG21 A 10 ILE HA 1.0 . 3.91 949 744 A 63 ILE HG21 A 79 GLU HA 1.0 . 5.14 950 745 A 11 TYR H A 10 ILE HG21 1.0 . 4.60 951 746 A 10 ILE HG21 A 82 PHE HE% 1.0 . 4.64 952 747 A 62 ALA H A 59 ALA HB1 1.0 . 5.32 953 748 A 60 ALA H A 59 ALA HB1 1.0 . 3.85 954 749 A 31 TYR H A 59 ALA HB1 1.0 . 5.20 955 750 A 59 ALA H A 59 ALA HB1 1.0 . 3.52 956 751 A 56 ALA HA A 59 ALA HB1 1.0 . 3.77 957 752 A 60 ALA HA A 59 ALA HB1 1.0 . 5.20 958 753 A 10 ILE HG21 A 51 ILE HB 1.0 . 5.06 959 754 A 51 ILE HG1y A 19 VAL HG21 1.0 . 4.78 960 755 A 15 LEU HBx A 19 VAL HG21 1.0 . 5.20 961 756 A 20 SER HA A 19 VAL HG21 1.0 . 5.27 962 757 A 61 ASP H A 60 ALA HB1 1.0 . 3.71 963 758 A 60 ALA HB1 A 60 ALA H 1.0 . 3.31 964 759 A 60 ALA HB1 A 57 ARG HA 1.0 . 3.70 965 760 A 62 ALA H A 60 ALA HB1 1.0 . 4.92 966 761 A 60 ALA HB1 A 64 LYS H 1.0 . 5.20 967 762 A 60 ALA HB1 A 61 ASP HA 1.0 . 5.22 968 763 A 60 ALA HB1 A 57 ARG HGx 1.0 . 4.12 969 763 A 60 ALA HB1 A 57 ARG HGy 1.0 . 4.12 970 764 A 60 ALA HB1 A 63 ILE HB 1.0 . 5.20 971 765 A 51 ILE HA A 34 ILE HD11 1.0 . 5.25 972 766 A 34 ILE HD11 A 35 LEU HA 1.0 . 5.41 973 767 A 35 LEU H A 34 ILE HD11 1.0 . 4.23 974 768 A 37 CYS H A 34 ILE HD11 1.0 . 4.65 975 769 A 52 GLU H A 34 ILE HD11 1.0 . 5.20 976 770 A 25 GLU H A 34 ILE HD11 1.0 . 5.20 977 771 A 34 ILE H A 34 ILE HD11 1.0 . 4.79 978 772 A 36 LYS H A 34 ILE HD11 1.0 . 3.87 979 773 A 36 LYS HA A 34 ILE HD11 1.0 . 5.13 980 774 A 34 ILE HA A 34 ILE HD11 1.0 . 4.10 981 775 A 37 CYS HBy A 34 ILE HD11 1.0 . 4.60 982 776 A 34 ILE HD11 A 37 CYS HBx 1.0 . 4.10 983 777 A 34 ILE HD11 A 25 GLU HGx 1.0 . 5.20 984 777 A 25 GLU HGy A 34 ILE HD11 1.0 . 5.20 985 778 A 25 GLU HBx A 34 ILE HD11 1.0 . 4.92 986 779 A 34 ILE HB A 34 ILE HD11 1.0 . 3.81 987 780 A 34 ILE HG21 A 34 ILE HD11 1.0 . 4.20 988 781 A 4 ARG H A 3 ILE HG21 1.0 . 4.90 989 782 A 35 LEU HD21 A 34 ILE HD11 1.0 . 5.45 990 783 A 63 ILE HD11 A 79 GLU HA 1.0 . 4.31 991 784 A 63 ILE HD11 A 63 ILE HB 1.0 . 3.49 992 785 A 63 ILE HD11 A 63 ILE H 1.0 . 4.85 993 786 A 63 ILE HD11 A 64 LYS H 1.0 . 4.40 994 787 A 63 ILE HD11 A 64 LYS HA 1.0 . 4.43 995 788 A 63 ILE HD11 A 60 ALA HA 1.0 . 4.98 996 789 A 63 ILE HA A 63 ILE HD11 1.0 . 3.72 997 790 A 67 ASP HBy A 63 ILE HD11 1.0 . 5.20 998 791 A 63 ILE HD11 A 67 ASP HBx 1.0 . 5.31 999 792 A 78 VAL HB A 63 ILE HD11 1.0 . 5.05 1000 793 A 63 ILE HD11 A 64 LYS HBx 1.0 . 5.20 1001 793 A 63 ILE HD11 A 64 LYS HBy 1.0 . 5.20 1002 794 A 63 ILE HD11 A 78 VAL HG21 1.0 . 3.19 1003 795 A 78 VAL H A 63 ILE HD11 1.0 . 5.38 1004 796 A 3 ILE HG21 A 3 ILE HG1x 1.0 . 3.97 1005 797 A 63 ILE HD11 A 80 VAL H 1.0 . 5.03 1006 798 A 10 ILE H A 10 ILE HD11 1.0 . 5.04 1007 799 A 10 ILE HD11 A 28 PHE HD% 1.0 . 5.01 1008 800 A 82 PHE HE% A 10 ILE HD11 1.0 . 4.14 1009 801 A 82 PHE HD% A 10 ILE HD11 1.0 . 5.20 1010 802 A 10 ILE HD11 A 28 PHE HE% 1.0 . 4.86 1011 803 A 10 ILE HD11 A 10 ILE HA 1.0 . 5.34 1012 804 A 10 ILE HB A 10 ILE HD11 1.0 . 3.95 1013 805 A 10 ILE HG21 A 10 ILE HD11 1.0 . 3.73 1014 806 A 51 ILE H A 51 ILE HD11 1.0 . 4.97 1015 807 A 52 GLU H A 51 ILE HD11 1.0 . 5.20 1016 808 A 51 ILE HD11 A 28 PHE HD% 1.0 . 4.64 1017 809 A 51 ILE HD11 A 82 PHE HE% 1.0 . 5.45 1018 810 A 51 ILE HD11 A 51 ILE HB 1.0 . 4.16 1019 811 A 24 VAL HG11 A 51 ILE HD11 1.0 . 4.88 1020 812 A 51 ILE HD11 A 28 PHE HE% 1.0 . 5.65 1021 813 A 51 ILE HD11 A 49 ALA HB1 1.0 . 4.74 1022 814 A 51 ILE HD11 A 19 VAL HG21 1.0 . 3.69 1023 815 A 12 VAL H A 11 TYR HD% 1.0 . 4.10 1024 816 A 13 GLY HAx A 11 TYR HD% 1.0 . 4.36 1025 817 A 31 TYR H A 31 TYR HD% 1.0 . 2.95 1026 818 A 31 TYR HD% A 28 PHE HA 1.0 . 3.32 1027 819 A 31 TYR HD% A 31 TYR HA 1.0 . 3.40 1028 820 A 31 TYR HD% A 62 ALA HB1 1.0 . 3.72 1029 821 A 48 PHE H A 48 PHE HE% 1.0 . 4.04 1030 822 A 41 LYS HA A 48 PHE HE% 1.0 . 3.96 1031 823 A 48 PHE HA A 48 PHE HE% 1.0 . 4.20 1032 824 A 42 THR HG21 A 48 PHE HE% 1.0 . 3.61 1033 825 A 24 VAL HG11 A 28 PHE HD% 1.0 . 4.21 1034 826 A 31 TYR HD% A 28 PHE HD% 1.0 . 3.85 1035 827 A 32 GLY H A 28 PHE HD% 1.0 . 5.20 1036 828 A 28 PHE H A 28 PHE HD% 1.0 . 4.03 1037 829 A 28 PHE HA A 28 PHE HD% 1.0 . 3.90 1038 830 A 24 VAL HB A 28 PHE HD% 1.0 . 3.87 1039 831 A 28 PHE HD% A 27 GLU HGy 1.0 . 5.20 1040 831 A 27 GLU HGx A 28 PHE HD% 1.0 . 5.20 1041 832 A 24 VAL HG21 A 28 PHE HD% 1.0 . 3.49 1042 833 A 72 GLU HGx A 71 PHE HD% 1.0 . 3.83 1043 834 A 42 THR HG21 A 48 PHE HD% 1.0 . 4.33 1044 835 A 40 LYS HBy A 48 PHE HD% 1.0 . 4.76 1045 836 A 48 PHE HD% A 40 LYS HGx 1.0 . 5.20 1046 836 A 40 LYS HGy A 48 PHE HD% 1.0 . 5.20 1047 837 A 10 ILE HG1y A 28 PHE HE% 1.0 . 3.94 1048 838 A 28 PHE HE% A 10 ILE HG1x 1.0 . 5.20 1049 839 A 10 ILE HD11 A 28 PHE HE% 1.0 . 3.93 1050 840 A 24 VAL HG21 A 28 PHE HE% 1.0 . 5.20 1051 841 A 31 TYR HE% A 31 TYR H 1.0 . 4.56 1052 842 A 31 TYR HE% A 30 LYS HEx 1.0 . 4.08 1053 842 A 30 LYS HEy A 31 TYR HE% 1.0 . 4.08 1054 843 A 31 TYR HE% A 62 ALA HB1 1.0 . 4.09 1055 844 A 13 GLY H A 11 TYR HE% 1.0 . 4.29 1056 845 A 62 ALA HB1 A 53 PHE HD% 1.0 . 4.70 1057 846 A 62 ALA HB1 A 53 PHE HE% 1.0 . 4.20 1058 847 A 62 ALA HB1 A 31 TYR HBy 1.0 . 4.34 1059 848 A 53 PHE HE% A 31 TYR HBy 1.0 . 5.13 1060 849 A 31 TYR HBx A 53 PHE HD% 1.0 . 5.26 1061 850 A 31 TYR HBx A 53 PHE HE% 1.0 . 4.94 1062 851 A 28 PHE HD% A 66 LYS HGx 1.0 . 5.68 1063 851 A 66 LYS HGy A 28 PHE HD% 1.0 . 5.68 1064 852 A 11 TYR HE% A 48 PHE HE% 1.0 . 4.20 1065 853 B 105 C H1' B 105 C H2' 1.0 . 3.70 1066 854 B 105 C H6 B 104 U H1' 1.0 . 5.50 1067 855 B 104 U H1' B 104 U H2' 1.0 . 5.50 1068 856 B 104 U H3' B 104 U H5'' 1.0 . 3.30 1069 857 B 106 A H1' B 106 A H3' 1.0 . 3.60 1070 858 B 104 U H1' B 104 U H3' 1.0 . 3.90 1071 859 B 104 U H1' B 104 U H4' 1.0 . 3.80 1072 860 B 106 A H8 B 105 C H1' 1.0 . 5.00 1073 861 B 105 C H1' B 105 C H3' 1.0 . 4.80 1074 862 B 105 C H1' B 106 A H2 1.0 . 5.10 1075 863 B 106 A H1' B 106 A H2' 1.0 . 3.50 1076 864 B 105 C H6 B 105 C H5'' 1.0 . 4.40 1077 865 B 106 A H8 B 106 A H5'' 1.0 . 3.10 1078 866 B 105 C H1' B 105 C H4' 1.0 . 4.00 1079 867 B 104 U O4' B 104 U C4' 1.0 . 1.50 1080 868 B 104 U H4' B 104 U O4' 1.0 . 2.10 1081 869 B 105 C O4' B 105 C C4' 1.0 . 1.50 1082 870 B 105 C H4' B 105 C O4' 1.0 . 2.10 1083 871 B 106 A O4' B 106 A C4' 1.0 . 1.50 1084 872 B 106 A O4' B 106 A H4' 1.0 . 2.10 1085 873 A 77 ARG HDx B 104 U H5' 1.0 . 5.00 1086 873 A 77 ARG HDy B 104 U H5' 1.0 . 5.00 1087 873 B 104 U H5'' A 77 ARG HDx 1.0 . 5.00 1088 873 A 77 ARG HDy B 104 U H5'' 1.0 . 5.00 1089 874 B 104 U H1' A 77 ARG HDx 1.0 . 4.00 1090 874 B 104 U H1' A 77 ARG HDy 1.0 . 4.00 1091 875 A 77 ARG HDx B 104 U H5' 1.0 . 4.00 1092 875 A 77 ARG HDy B 104 U H5' 1.0 . 4.00 1093 875 B 104 U H5'' A 77 ARG HDx 1.0 . 4.00 1094 875 A 77 ARG HDy B 104 U H5'' 1.0 . 4.00 1095 876 A 11 TYR HE% B 105 C H6 1.0 . 3.00 1096 877 A 11 TYR HE% B 105 C H5 1.0 . 3.00 1097 878 A 11 TYR HD% B 105 C H5 1.0 . 3.00 1098 879 A 11 TYR HD% B 105 C H6 1.0 . 3.00 1099 880 A 11 TYR HD% B 105 C H1' 1.0 . 4.50 1100 881 A 11 TYR HE% B 105 C H1' 1.0 . 4.50 1101 882 A 11 TYR HE% B 105 C H2' 1.0 . 4.50 1102 883 A 11 TYR HE% B 105 C H4' 1.0 . 4.50 1103 884 A 11 TYR HE% B 105 C H5'' 1.0 . 3.50 1104 884 A 11 TYR HE% B 105 C H5' 1.0 . 3.50 1105 885 B 105 C H6 A 11 TYR HBy 1.0 . 5.00 1106 885 A 11 TYR HBx B 105 C H6 1.0 . 5.00 1107 886 B 105 C H5 A 77 ARG HDx 1.0 . 5.00 1108 886 A 77 ARG HDy B 105 C H5 1.0 . 5.00 1109 887 B 105 C H6 A 77 ARG HDx 1.0 . 5.00 1110 887 B 105 C H6 A 77 ARG HDy 1.0 . 5.00 1111 888 B 105 C H6 A 79 GLU HGy 1.0 . 4.00 1112 888 B 105 C H6 A 79 GLU HGx 1.0 . 4.00 1113 889 B 105 C H6 A 79 GLU HBx 1.0 . 5.00 1114 889 B 105 C H6 A 79 GLU HBy 1.0 . 5.00 1115 890 B 105 C N4 A 79 GLU OE1 1.0 . 3.50 1116 891 A 50 PHE HE% B 105 C H1' 1.0 . 5.00 1117 892 A 50 PHE HE% B 105 C H2' 1.0 . 5.00 1118 893 A 50 PHE HE% B 105 C H4' 1.0 . 5.00 1119 894 A 50 PHE HE% B 105 C H5'' 1.0 . 5.00 1120 894 A 50 PHE HE% B 105 C H5' 1.0 . 5.00 1121 895 A 48 PHE HE% B 105 C H2' 1.0 . 5.00 1122 896 A 48 PHE HE% B 105 C H4' 1.0 . 5.00 1123 897 A 50 PHE HE% B 106 A H8 1.0 . 3.00 1124 898 A 50 PHE HE% B 106 A H2 1.0 . 4.00 1125 899 B 106 A H2 A 9 ARG HDx 1.0 . 4.00 1126 899 A 9 ARG HDy B 106 A H2 1.0 . 4.00 1127 900 B 106 A H8 A 50 PHE HD% 1.0 . 3.00 1128 901 B 106 A H1' A 50 PHE HD% 1.0 . 3.00 1129 902 A 50 PHE HE% B 106 A H1' 1.0 . 3.00 1130 903 B 106 A H1' A 50 PHE HBx 1.0 . 4.00 1131 903 A 50 PHE HBy B 106 A H1' 1.0 . 4.00 1132 904 B 106 A H1' A 40 LYS HEx 1.0 . 4.00 1133 904 A 40 LYS HEy B 106 A H1' 1.0 . 4.00 1134 905 B 106 A H1' A 40 LYS HDx 1.0 . 4.00 1135 905 A 40 LYS HDy B 106 A H1' 1.0 . 4.00 1136 906 B 106 A H8 A 9 ARG HDx 1.0 . 4.00 1137 906 A 9 ARG HDy B 106 A H8 1.0 . 4.00 stop_ save_ save_DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 B 104 U H1' B 104 U H2' 1.0 . 3.0 2 2 B 104 U H1' B 104 U H3' 1.0 . 3.5 3 3 B 105 C H1' B 105 C H3' 1.0 . 3.5 4 4 B 105 C H1' B 105 C H2' 1.0 . 3.0 5 5 B 106 A H1' B 106 A H3' 1.0 . 3.5 6 6 B 106 A H1' B 106 A H2' 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 38 ASP H A 50 PHE O 1.0 . 2.6 2 2 A 50 PHE O A 38 ASP N 1.0 . 3.6 3 3 A 52 GLU H A 36 LYS O 1.0 . 2.6 4 4 A 36 LYS O A 52 GLU N 1.0 . 3.6 5 5 A 35 LEU H A 52 GLU O 1.0 . 2.6 6 6 A 52 GLU O A 35 LEU N 1.0 . 3.6 7 7 A 12 VAL H A 49 ALA O 1.0 . 2.6 8 8 A 49 ALA O A 12 VAL N 1.0 . 3.6 9 9 A 49 ALA H A 12 VAL O 1.0 . 2.6 10 10 A 12 VAL O A 49 ALA N 1.0 . 3.6 11 11 A 51 ILE H A 10 ILE O 1.0 . 2.6 12 12 A 10 ILE O A 51 ILE N 1.0 . 3.6 13 13 A 10 ILE H A 51 ILE O 1.0 . 2.6 14 14 A 51 ILE O A 10 ILE N 1.0 . 3.6 15 15 A 79 GLU H A 11 TYR O 1.0 . 2.6 16 16 A 11 TYR O A 79 GLU N 1.0 . 3.6 17 17 A 11 TYR H A 79 GLU O 1.0 . 2.6 18 18 A 79 GLU O A 11 TYR N 1.0 . 3.6 19 19 A 13 GLY H A 77 ARG O 1.0 . 2.6 20 20 A 77 ARG O A 13 GLY N 1.0 . 3.6 21 21 A 77 ARG H A 13 GLY O 1.0 . 2.6 22 22 A 13 GLY O A 77 ARG N 1.0 . 3.6 23 23 A 25 GLU H A 21 SER O 1.0 . 2.6 24 24 A 21 SER O A 25 GLU N 1.0 . 3.6 25 25 A 26 ASN H A 22 ARG O 1.0 . 2.6 26 26 A 22 ARG O A 26 ASN N 1.0 . 3.6 27 27 A 27 GLU H A 23 ASP O 1.0 . 2.6 28 28 A 23 ASP O A 27 GLU N 1.0 . 3.6 29 29 A 28 PHE H A 24 VAL O 1.0 . 2.6 30 30 A 24 VAL O A 28 PHE N 1.0 . 3.6 31 31 A 29 ARG H A 25 GLU O 1.0 . 2.6 32 32 A 25 GLU O A 29 ARG N 1.0 . 3.6 33 33 A 30 LYS H A 26 ASN O 1.0 . 2.6 34 34 A 26 ASN O A 30 LYS N 1.0 . 3.6 35 35 A 63 ILE H A 59 ALA O 1.0 . 2.6 36 36 A 59 ALA O A 63 ILE N 1.0 . 3.6 37 37 A 64 LYS H A 60 ALA O 1.0 . 2.6 38 38 A 60 ALA O A 64 LYS N 1.0 . 3.6 39 39 A 65 GLU H A 61 ASP O 1.0 . 2.6 40 40 A 61 ASP O A 65 GLU N 1.0 . 3.6 41 41 A 66 LYS H A 62 ALA O 1.0 . 2.6 42 42 A 62 ALA O A 66 LYS N 1.0 . 3.6 43 43 A 53 PHE H A 8 SER O 1.0 . 2.6 44 44 A 8 SER O A 53 PHE N 1.0 . 3.6 45 45 A 70 ASP H A 76 LEU O 1.0 . 2.6 46 46 A 76 LEU O A 70 ASP N 1.0 . 3.6 47 47 A 76 LEU H A 70 ASP O 1.0 . 2.6 48 48 A 70 ASP O A 76 LEU N 1.0 . 3.6 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 38 ASP H A 50 PHE O 1.0 . 1.8 2 2 A 50 PHE O A 38 ASP N 1.0 . 2.4 3 3 A 52 GLU H A 36 LYS O 1.0 . 1.8 4 4 A 36 LYS O A 52 GLU N 1.0 . 2.4 5 5 A 35 LEU H A 52 GLU O 1.0 . 1.8 6 6 A 52 GLU O A 35 LEU N 1.0 . 2.4 7 7 A 12 VAL H A 49 ALA O 1.0 . 1.8 8 8 A 49 ALA O A 12 VAL N 1.0 . 2.4 9 9 A 49 ALA H A 12 VAL O 1.0 . 1.8 10 10 A 12 VAL O A 49 ALA N 1.0 . 2.4 11 11 A 51 ILE H A 10 ILE O 1.0 . 1.8 12 12 A 10 ILE O A 51 ILE N 1.0 . 2.4 13 13 A 10 ILE H A 51 ILE O 1.0 . 1.8 14 14 A 51 ILE O A 10 ILE N 1.0 . 2.4 15 15 A 79 GLU H A 11 TYR O 1.0 . 1.8 16 16 A 11 TYR O A 79 GLU N 1.0 . 2.4 17 17 A 11 TYR H A 79 GLU O 1.0 . 1.8 18 18 A 79 GLU O A 11 TYR N 1.0 . 2.4 19 19 A 13 GLY H A 77 ARG O 1.0 . 1.8 20 20 A 77 ARG O A 13 GLY N 1.0 . 2.4 21 21 A 77 ARG H A 13 GLY O 1.0 . 1.8 22 22 A 13 GLY O A 77 ARG N 1.0 . 2.4 23 23 A 25 GLU H A 21 SER O 1.0 . 1.8 24 24 A 21 SER O A 25 GLU N 1.0 . 2.4 25 25 A 26 ASN H A 22 ARG O 1.0 . 1.8 26 26 A 22 ARG O A 26 ASN N 1.0 . 2.4 27 27 A 27 GLU H A 23 ASP O 1.0 . 1.8 28 28 A 23 ASP O A 27 GLU N 1.0 . 2.4 29 29 A 28 PHE H A 24 VAL O 1.0 . 1.8 30 30 A 24 VAL O A 28 PHE N 1.0 . 2.4 31 31 A 29 ARG H A 25 GLU O 1.0 . 1.8 32 32 A 25 GLU O A 29 ARG N 1.0 . 2.4 33 33 A 30 LYS H A 26 ASN O 1.0 . 1.8 34 34 A 26 ASN O A 30 LYS N 1.0 . 2.4 35 35 A 63 ILE H A 59 ALA O 1.0 . 1.8 36 36 A 59 ALA O A 63 ILE N 1.0 . 2.4 37 37 A 64 LYS H A 60 ALA O 1.0 . 1.8 38 38 A 60 ALA O A 64 LYS N 1.0 . 2.4 39 39 A 65 GLU H A 61 ASP O 1.0 . 1.8 40 40 A 61 ASP O A 65 GLU N 1.0 . 2.4 41 41 A 66 LYS H A 62 ALA O 1.0 . 1.8 42 42 A 62 ALA O A 66 LYS N 1.0 . 2.4 43 43 A 53 PHE H A 8 SER O 1.0 . 1.8 44 44 A 8 SER O A 53 PHE N 1.0 . 2.4 45 45 A 70 ASP H A 76 LEU O 1.0 . 1.8 46 46 A 76 LEU O A 70 ASP N 1.0 . 2.4 47 47 A 76 LEU H A 70 ASP O 1.0 . 1.8 48 48 A 70 ASP O A 76 LEU N 1.0 . 2.4 stop_ save_ save_DYANA/DIANA_dihedral_6 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_6 _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 7 VAL C A 8 SER N A 8 SER CA A 8 SER C 1.0 -91.2 -51.2 PHI 2 2 A 8 SER N A 8 SER CA A 8 SER C A 9 ARG N 1.0 118.9 158.9 PSI 3 3 A 8 SER C A 9 ARG N A 9 ARG CA A 9 ARG C 1.0 -148.7 -108.7 PHI 4 4 A 9 ARG N A 9 ARG CA A 9 ARG C A 10 ILE N 1.0 129.4 169.4 PSI 5 5 A 9 ARG C A 10 ILE N A 10 ILE CA A 10 ILE C 1.0 -150.4 -110.4 PHI 6 6 A 10 ILE N A 10 ILE CA A 10 ILE C A 11 TYR N 1.0 118.5 158.5 PSI 7 7 A 10 ILE C A 11 TYR N A 11 TYR CA A 11 TYR C 1.0 -132.3 -92.3 PHI 8 8 A 11 TYR N A 11 TYR CA A 11 TYR C A 12 VAL N 1.0 106.3 146.3 PSI 9 9 A 11 TYR C A 12 VAL N A 12 VAL CA A 12 VAL C 1.0 -134.5 -94.5 PHI 10 10 A 12 VAL N A 12 VAL CA A 12 VAL C A 13 GLY N 1.0 102.7 142.7 PSI 11 11 A 13 GLY C A 14 ASN N A 14 ASN CA A 14 ASN C 1.0 40.6 80.6 PHI 12 12 A 14 ASN N A 14 ASN CA A 14 ASN C A 15 LEU N 1.0 18.1 58.1 PSI 13 13 A 14 ASN C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -97.1 -57.1 PHI 14 14 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 PRO N 1.0 117.2 157.2 PSI 15 15 A 16 PRO N A 16 PRO CA A 16 PRO C A 17 SER N 1.0 122.4 162.4 PSI 16 16 A 18 HIS C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -101.0 -61.0 PHI 17 17 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 SER N 1.0 116.1 156.1 PSI 18 18 A 19 VAL C A 20 SER N A 20 SER CA A 20 SER C 1.0 -116.9 -76.9 PHI 19 19 A 20 SER N A 20 SER CA A 20 SER C A 21 SER N 1.0 147.1 187.1 PSI 20 20 A 20 SER C A 21 SER N A 21 SER CA A 21 SER C 1.0 -79.9 -39.9 PHI 21 21 A 21 SER N A 21 SER CA A 21 SER C A 22 ARG N 1.0 -58.2 -18.2 PSI 22 22 A 21 SER C A 22 ARG N A 22 ARG CA A 22 ARG C 1.0 -85.4 -45.4 PHI 23 23 A 22 ARG N A 22 ARG CA A 22 ARG C A 23 ASP N 1.0 -56.7 -16.7 PSI 24 24 A 22 ARG C A 23 ASP N A 23 ASP CA A 23 ASP C 1.0 -86.5 -46.5 PHI 25 25 A 23 ASP N A 23 ASP CA A 23 ASP C A 24 VAL N 1.0 -62.5 -22.5 PSI 26 26 A 23 ASP C A 24 VAL N A 24 VAL CA A 24 VAL C 1.0 -84.4 -44.4 PHI 27 27 A 24 VAL N A 24 VAL CA A 24 VAL C A 25 GLU N 1.0 -64.5 -24.5 PSI 28 28 A 24 VAL C A 25 GLU N A 25 GLU CA A 25 GLU C 1.0 -80.4 -40.4 PHI 29 29 A 25 GLU N A 25 GLU CA A 25 GLU C A 26 ASN N 1.0 -61.5 -21.5 PSI 30 30 A 25 GLU C A 26 ASN N A 26 ASN CA A 26 ASN C 1.0 -85.9 -45.9 PHI 31 31 A 26 ASN N A 26 ASN CA A 26 ASN C A 27 GLU N 1.0 -57.1 -17.1 PSI 32 32 A 26 ASN C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -88.8 -48.8 PHI 33 33 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 PHE N 1.0 -55.8 -15.8 PSI 34 34 A 27 GLU C A 28 PHE N A 28 PHE CA A 28 PHE C 1.0 -89.9 -49.9 PHI 35 35 A 28 PHE N A 28 PHE CA A 28 PHE C A 29 ARG N 1.0 -56.4 -16.4 PSI 36 36 A 28 PHE C A 29 ARG N A 29 ARG CA A 29 ARG C 1.0 -85.2 -45.2 PHI 37 37 A 29 ARG N A 29 ARG CA A 29 ARG C A 30 LYS N 1.0 -54.5 -14.5 PSI 38 38 A 29 ARG C A 30 LYS N A 30 LYS CA A 30 LYS C 1.0 -86.1 -46.1 PHI 39 39 A 30 LYS N A 30 LYS CA A 30 LYS C A 31 TYR N 1.0 -51.4 -11.4 PSI 40 40 A 30 LYS C A 31 TYR N A 31 TYR CA A 31 TYR C 1.0 -98.4 -58.4 PHI 41 41 A 31 TYR N A 31 TYR CA A 31 TYR C A 32 GLY N 1.0 -42.5 -2.5 PSI 42 42 A 33 ASN C A 34 ILE N A 34 ILE CA A 34 ILE C 1.0 -106.2 -66.2 PHI 43 43 A 34 ILE N A 34 ILE CA A 34 ILE C A 35 LEU N 1.0 106.5 146.5 PSI 44 44 A 34 ILE C A 35 LEU N A 35 LEU CA A 35 LEU C 1.0 -109.4 -69.4 PHI 45 45 A 35 LEU N A 35 LEU CA A 35 LEU C A 36 LYS N 1.0 -57.1 -17.1 PSI 46 46 A 35 LEU C A 36 LYS N A 36 LYS CA A 36 LYS C 1.0 -175.0 -135.0 PHI 47 47 A 36 LYS N A 36 LYS CA A 36 LYS C A 37 CYS N 1.0 122.9 162.9 PSI 48 48 A 36 LYS C A 37 CYS N A 37 CYS CA A 37 CYS C 1.0 -138.6 -98.6 PHI 49 49 A 37 CYS N A 37 CYS CA A 37 CYS C A 38 ASP N 1.0 107.3 147.3 PSI 50 50 A 37 CYS C A 38 ASP N A 38 ASP CA A 38 ASP C 1.0 -138.5 -98.5 PHI 51 51 A 38 ASP N A 38 ASP CA A 38 ASP C A 39 VAL N 1.0 113.5 153.5 PSI 52 52 A 38 ASP C A 39 VAL N A 39 VAL CA A 39 VAL C 1.0 -126.2 -86.2 PHI 53 53 A 39 VAL N A 39 VAL CA A 39 VAL C A 40 LYS N 1.0 105.1 145.1 PSI 54 54 A 39 VAL C A 40 LYS N A 40 LYS CA A 40 LYS C 1.0 -141.9 -102.0 PHI 55 55 A 40 LYS N A 40 LYS CA A 40 LYS C A 41 LYS N 1.0 127.8 167.8 PSI 56 56 A 40 LYS C A 41 LYS N A 41 LYS CA A 41 LYS C 1.0 -131.5 -91.5 PHI 57 57 A 41 LYS N A 41 LYS CA A 41 LYS C A 42 THR N 1.0 118.1 158.1 PSI 58 58 A 41 LYS C A 42 THR N A 42 THR CA A 42 THR C 1.0 -105.3 -65.3 PHI 59 59 A 42 THR N A 42 THR CA A 42 THR C A 43 VAL N 1.0 151.7 191.7 PSI 60 60 A 42 THR C A 43 VAL N A 43 VAL CA A 43 VAL C 1.0 -84.7 -44.7 PHI 61 61 A 43 VAL N A 43 VAL CA A 43 VAL C A 44 SER N 1.0 -40.9 -0.9 PSI 62 62 A 43 VAL C A 44 SER N A 44 SER CA A 44 SER C 1.0 -106.9 -66.9 PHI 63 63 A 44 SER N A 44 SER CA A 44 SER C A 45 GLY N 1.0 -23.4 16.6 PSI 64 64 A 44 SER C A 45 GLY N A 45 GLY CA A 45 GLY C 1.0 72.3 112.3 PHI 65 65 A 45 GLY N A 45 GLY CA A 45 GLY C A 46 ALA N 1.0 -13.5 26.5 PSI 66 66 A 45 GLY C A 46 ALA N A 46 ALA CA A 46 ALA C 1.0 -96.8 -56.8 PHI 67 67 A 46 ALA N A 46 ALA CA A 46 ALA C A 47 ALA N 1.0 121.8 161.8 PSI 68 68 A 46 ALA C A 47 ALA N A 47 ALA CA A 47 ALA C 1.0 -143.8 -103.8 PHI 69 69 A 47 ALA N A 47 ALA CA A 47 ALA C A 48 PHE N 1.0 117.0 157.0 PSI 70 70 A 47 ALA C A 48 PHE N A 48 PHE CA A 48 PHE C 1.0 -171.3 -131.3 PHI 71 71 A 48 PHE N A 48 PHE CA A 48 PHE C A 49 ALA N 1.0 142.6 182.6 PSI 72 72 A 48 PHE C A 49 ALA N A 49 ALA CA A 49 ALA C 1.0 -148.0 -108.0 PHI 73 73 A 49 ALA N A 49 ALA CA A 49 ALA C A 50 PHE N 1.0 130.9 170.9 PSI 74 74 A 49 ALA C A 50 PHE N A 50 PHE CA A 50 PHE C 1.0 -139.2 -99.2 PHI 75 75 A 50 PHE N A 50 PHE CA A 50 PHE C A 51 ILE N 1.0 112.4 152.4 PSI 76 76 A 50 PHE C A 51 ILE N A 51 ILE CA A 51 ILE C 1.0 -140.5 -100.5 PHI 77 77 A 51 ILE N A 51 ILE CA A 51 ILE C A 52 GLU N 1.0 103.2 143.2 PSI 78 78 A 51 ILE C A 52 GLU N A 52 GLU CA A 52 GLU C 1.0 -121.6 -81.6 PHI 79 79 A 52 GLU N A 52 GLU CA A 52 GLU C A 53 PHE N 1.0 99.9 139.9 PSI 80 80 A 52 GLU C A 53 PHE N A 53 PHE CA A 53 PHE C 1.0 -112.5 -72.5 PHI 81 81 A 53 PHE N A 53 PHE CA A 53 PHE C A 54 GLU N 1.0 135.6 175.6 PSI 82 82 A 53 PHE C A 54 GLU N A 54 GLU CA A 54 GLU C 1.0 -88.4 -48.4 PHI 83 83 A 54 GLU N A 54 GLU CA A 54 GLU C A 55 ASP N 1.0 -55.4 -15.4 PSI 84 84 A 54 GLU C A 55 ASP N A 55 ASP CA A 55 ASP C 1.0 -152.8 -112.8 PHI 85 85 A 55 ASP N A 55 ASP CA A 55 ASP C A 56 ALA N 1.0 124.4 164.4 PSI 86 86 A 55 ASP C A 56 ALA N A 56 ALA CA A 56 ALA C 1.0 -82.7 -42.7 PHI 87 87 A 56 ALA N A 56 ALA CA A 56 ALA C A 57 ARG N 1.0 -54.3 -14.3 PSI 88 88 A 56 ALA C A 57 ARG N A 57 ARG CA A 57 ARG C 1.0 -84.0 -44.0 PHI 89 89 A 57 ARG N A 57 ARG CA A 57 ARG C A 58 ASP N 1.0 -56.5 -16.5 PSI 90 90 A 57 ARG C A 58 ASP N A 58 ASP CA A 58 ASP C 1.0 -87.6 -47.6 PHI 91 91 A 58 ASP N A 58 ASP CA A 58 ASP C A 59 ALA N 1.0 -58.2 -18.2 PSI 92 92 A 58 ASP C A 59 ALA N A 59 ALA CA A 59 ALA C 1.0 -85.2 -45.2 PHI 93 93 A 59 ALA N A 59 ALA CA A 59 ALA C A 60 ALA N 1.0 -62.6 -22.6 PSI 94 94 A 59 ALA C A 60 ALA N A 60 ALA CA A 60 ALA C 1.0 -83.7 -43.7 PHI 95 95 A 60 ALA N A 60 ALA CA A 60 ALA C A 61 ASP N 1.0 -58.4 -18.4 PSI 96 96 A 60 ALA C A 61 ASP N A 61 ASP CA A 61 ASP C 1.0 -85.7 -45.7 PHI 97 97 A 61 ASP N A 61 ASP CA A 61 ASP C A 62 ALA N 1.0 -62.2 -22.2 PSI 98 98 A 61 ASP C A 62 ALA N A 62 ALA CA A 62 ALA C 1.0 -85.0 -45.0 PHI 99 99 A 62 ALA N A 62 ALA CA A 62 ALA C A 63 ILE N 1.0 -62.5 -22.5 PSI 100 100 A 62 ALA C A 63 ILE N A 63 ILE CA A 63 ILE C 1.0 -82.7 -42.7 PHI 101 101 A 63 ILE N A 63 ILE CA A 63 ILE C A 64 LYS N 1.0 -64.1 -24.1 PSI 102 102 A 63 ILE C A 64 LYS N A 64 LYS CA A 64 LYS C 1.0 -86.9 -46.9 PHI 103 103 A 64 LYS N A 64 LYS CA A 64 LYS C A 65 GLU N 1.0 -53.7 -13.7 PSI 104 104 A 64 LYS C A 65 GLU N A 65 GLU CA A 65 GLU C 1.0 -96.0 -56.0 PHI 105 105 A 65 GLU N A 65 GLU CA A 65 GLU C A 66 LYS N 1.0 -51.5 -11.5 PSI 106 106 A 65 GLU C A 66 LYS N A 66 LYS CA A 66 LYS C 1.0 -119.9 -79.9 PHI 107 107 A 66 LYS N A 66 LYS CA A 66 LYS C A 67 ASP N 1.0 -19.5 20.5 PSI 108 108 A 66 LYS C A 67 ASP N A 67 ASP CA A 67 ASP C 1.0 -78.6 -38.6 PHI 109 109 A 67 ASP N A 67 ASP CA A 67 ASP C A 68 GLY N 1.0 107.7 147.7 PSI 110 110 A 67 ASP C A 68 GLY N A 68 GLY CA A 68 GLY C 1.0 67.4 107.4 PHI 111 111 A 68 GLY N A 68 GLY CA A 68 GLY C A 69 CYS N 1.0 -25.2 14.8 PSI 112 112 A 68 GLY C A 69 CYS N A 69 CYS CA A 69 CYS C 1.0 -97.1 -57.1 PHI 113 113 A 69 CYS N A 69 CYS CA A 69 CYS C A 70 ASP N 1.0 129.5 169.5 PSI 114 114 A 69 CYS C A 70 ASP N A 70 ASP CA A 70 ASP C 1.0 -114.2 -74.2 PHI 115 115 A 70 ASP N A 70 ASP CA A 70 ASP C A 71 PHE N 1.0 106.6 146.6 PSI 116 116 A 70 ASP C A 71 PHE N A 71 PHE CA A 71 PHE C 1.0 -146.1 -106.1 PHI 117 117 A 71 PHE N A 71 PHE CA A 71 PHE C A 72 GLU N 1.0 97.2 137.2 PSI 118 118 A 71 PHE C A 72 GLU N A 72 GLU CA A 72 GLU C 1.0 32.1 72.1 PHI 119 119 A 72 GLU N A 72 GLU CA A 72 GLU C A 73 GLY N 1.0 21.3 61.3 PSI 120 120 A 72 GLU C A 73 GLY N A 73 GLY CA A 73 GLY C 1.0 60.7 100.7 PHI 121 121 A 73 GLY N A 73 GLY CA A 73 GLY C A 74 ASN N 1.0 -17.8 22.2 PSI 122 122 A 73 GLY C A 74 ASN N A 74 ASN CA A 74 ASN C 1.0 -127.5 -87.5 PHI 123 123 A 74 ASN N A 74 ASN CA A 74 ASN C A 75 LYS N 1.0 115.7 155.7 PSI 124 124 A 74 ASN C A 75 LYS N A 75 LYS CA A 75 LYS C 1.0 -98.7 -58.7 PHI 125 125 A 75 LYS N A 75 LYS CA A 75 LYS C A 76 LEU N 1.0 99.7 139.7 PSI 126 126 A 76 LEU C A 77 ARG N A 77 ARG CA A 77 ARG C 1.0 -126.8 -86.8 PHI 127 127 A 77 ARG N A 77 ARG CA A 77 ARG C A 78 VAL N 1.0 106.5 146.5 PSI 128 128 A 77 ARG C A 78 VAL N A 78 VAL CA A 78 VAL C 1.0 -135.9 -95.9 PHI 129 129 A 78 VAL N A 78 VAL CA A 78 VAL C A 79 GLU N 1.0 111.8 151.8 PSI 130 130 A 78 VAL C A 79 GLU N A 79 GLU CA A 79 GLU C 1.0 -157.9 -117.9 PHI 131 131 A 79 GLU N A 79 GLU CA A 79 GLU C A 80 VAL N 1.0 133.5 173.5 PSI 132 132 A 79 GLU C A 80 VAL N A 80 VAL CA A 80 VAL C 1.0 -96.5 -56.5 PHI 133 133 A 80 VAL N A 80 VAL CA A 80 VAL C A 81 PRO N 1.0 123.0 163.0 PSI stop_ save_