data_nef_c25763_2n6g save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2N6G stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 PRO middle . false 3 A 3 GLY middle . false 4 A 4 SER middle . . 5 A 5 MET middle . . 6 A 6 SER middle . . 7 A 7 ILE middle . . 8 A 8 ASN middle . . 9 A 9 PRO middle . false 10 A 10 PHE middle . . 11 A 11 ASP middle . . 12 A 12 ASP middle . . 13 A 13 ASP middle . . 14 A 14 ASN middle . . 15 A 15 GLY middle . false 16 A 16 SER middle . . 17 A 17 PHE middle . . 18 A 18 PHE middle . . 19 A 19 VAL middle . . 20 A 20 LEU middle . . 21 A 21 VAL middle . . 22 A 22 ASN middle . . 23 A 23 ASP middle . . 24 A 24 GLU middle . . 25 A 25 GLU middle . . 26 A 26 GLN middle . . 27 A 27 HIS middle . . 28 A 28 SER middle . . 29 A 29 LEU middle . . 30 A 30 TRP middle . . 31 A 31 PRO middle . false 32 A 32 ALA middle . . 33 A 33 PHE middle . . 34 A 34 ALA middle . . 35 A 35 ASP middle . . 36 A 36 VAL middle . . 37 A 37 PRO middle . false 38 A 38 ALA middle . . 39 A 39 GLY middle . false 40 A 40 TRP middle . . 41 A 41 ARG middle . . 42 A 42 VAL middle . . 43 A 43 VAL middle . . 44 A 44 HIS middle . . 45 A 45 GLY middle . false 46 A 46 GLU middle . . 47 A 47 ALA middle . . 48 A 48 ASP middle . . 49 A 49 ARG middle . . 50 A 50 ALA middle . . 51 A 51 ALA middle . . 52 A 52 CYS middle . . 53 A 53 LEU middle . . 54 A 54 GLU middle . . 55 A 55 TYR middle . . 56 A 56 ILE middle . . 57 A 57 GLU middle . . 58 A 58 GLU middle . . 59 A 59 HIS middle . . 60 A 60 TRP middle . . 61 A 61 PRO middle . false 62 A 62 ASP middle . . 63 A 63 ILE middle . . 64 A 64 ARG middle . . 65 A 65 PRO middle . false 66 A 66 LYS middle . . 67 A 67 SER middle . . 68 A 68 LEU middle . . 69 A 69 ARG middle . . 70 A 70 ASP middle . . 71 A 71 LYS middle . . 72 A 72 LEU middle . . 73 A 73 ALA middle . . 74 A 74 THR middle . . 75 A 75 GLY middle . false 76 A 76 ARG middle . . 77 A 77 GLY middle . false 78 A 78 PHE middle . . 79 A 79 ASP middle . . 80 A 80 GLN 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 2 PRO HDy H 1 3.67 0.02 A 2 PRO HDx H 1 3.62 0.02 A 2 PRO HGy H 1 2.09 0.02 A 2 PRO HGx H 1 2.07 0.02 A 2 PRO CA C 13 53.5 0.2 A 2 PRO CB C 13 32.2 0.2 A 2 PRO CD C 13 49.4 0.2 A 2 PRO CG C 13 26.9 0.2 A 3 GLY H H 1 8.80 0.02 A 3 GLY HAx H 1 4.05 0.02 A 3 GLY HAy H 1 4.05 0.02 A 3 GLY C C 13 174.1 0.2 A 3 GLY CA C 13 45.1 0.2 A 3 GLY N N 15 109.8 0.2 A 4 SER H H 1 8.28 0.02 A 4 SER HA H 1 4.51 0.02 A 4 SER HBx H 1 3.93 0.02 A 4 SER HBy H 1 3.93 0.02 A 4 SER C C 13 174.4 0.2 A 4 SER CA C 13 58.2 0.2 A 4 SER CB C 13 63.5 0.2 A 4 SER N N 15 115.2 0.2 A 5 MET HA H 1 4.20 0.02 A 5 MET HE% H 1 0.97 0.02 A 5 MET C C 13 175.8 0.2 A 5 MET CA C 13 61.9 0.2 A 5 MET CB C 13 32.9 0.2 A 5 MET CE C 13 20.9 0.2 A 5 MET CG C 13 20.5 0.2 A 6 SER H H 1 8.53 0.02 A 6 SER HA H 1 4.55 0.02 A 6 SER HBx H 1 3.86 0.02 A 6 SER HBy H 1 3.86 0.02 A 6 SER C C 13 174.1 0.2 A 6 SER CA C 13 57.7 0.2 A 6 SER CB C 13 63.5 0.2 A 6 SER N N 15 119.7 0.2 A 7 ILE H H 1 8.36 0.02 A 7 ILE HA H 1 4.24 0.02 A 7 ILE HB H 1 1.89 0.02 A 7 ILE HD1% H 1 0.81 0.02 A 7 ILE HG1y H 1 1.48 0.02 A 7 ILE HG1x H 1 1.20 0.02 A 7 ILE HG2% H 1 0.90 0.02 A 7 ILE CA C 13 60.5 0.2 A 7 ILE CB C 13 38.8 0.2 A 7 ILE CD1 C 13 12.9 0.2 A 7 ILE CG1 C 13 27.0 0.2 A 7 ILE CG2 C 13 17.2 0.2 A 7 ILE N N 15 122.4 0.2 A 8 ASN H H 1 8.70 0.02 A 8 ASN HBy H 1 2.91 0.02 A 8 ASN HBx H 1 2.76 0.02 A 8 ASN HD2y H 1 7.71 0.02 A 8 ASN HD2x H 1 7.14 0.02 A 8 ASN CA C 13 51.0 0.2 A 8 ASN CB C 13 38.8 0.2 A 8 ASN N N 15 123.6 0.2 A 8 ASN ND2 N 15 112.7 0.2 A 13 ASP HA H 1 4.62 0.02 A 13 ASP HBy H 1 2.81 0.02 A 13 ASP HBx H 1 2.71 0.02 A 13 ASP C C 13 176.8 0.2 A 13 ASP CA C 13 55.7 0.2 A 13 ASP CB C 13 40.9 0.2 A 14 ASN H H 1 8.72 0.02 A 14 ASN HBy H 1 2.99 0.02 A 14 ASN HBx H 1 2.85 0.02 A 14 ASN HD2y H 1 7.91 0.02 A 14 ASN HD2x H 1 7.08 0.02 A 14 ASN C C 13 175.6 0.2 A 14 ASN CA C 13 53.3 0.2 A 14 ASN CB C 13 39.1 0.2 A 14 ASN N N 15 117.7 0.2 A 14 ASN ND2 N 15 114.3 0.2 A 15 GLY H H 1 8.16 0.02 A 15 GLY HAx H 1 4.07 0.02 A 15 GLY HAy H 1 4.07 0.02 A 15 GLY C C 13 172.6 0.2 A 15 GLY CA C 13 45.1 0.2 A 15 GLY N N 15 107.5 0.2 A 16 SER H H 1 7.78 0.02 A 16 SER HA H 1 4.71 0.02 A 16 SER HBx H 1 3.49 0.02 A 16 SER HBy H 1 3.49 0.02 A 16 SER C C 13 174.1 0.2 A 16 SER CA C 13 57.3 0.2 A 16 SER CB C 13 64.2 0.2 A 16 SER N N 15 114.0 0.2 A 17 PHE H H 1 9.57 0.02 A 17 PHE CA C 13 57.7 0.2 A 17 PHE CB C 13 46.0 0.2 A 17 PHE N N 15 123.0 0.2 A 18 PHE H H 1 9.68 0.02 A 18 PHE HA H 1 5.76 0.02 A 18 PHE HBy H 1 3.49 0.02 A 18 PHE HBx H 1 2.78 0.02 A 18 PHE HDx H 1 7.23 0.02 A 18 PHE HDy H 1 7.23 0.02 A 18 PHE C C 13 177.0 0.2 A 18 PHE CA C 13 55.4 0.2 A 18 PHE CB C 13 44.2 0.2 A 18 PHE CDx C 13 131.4 0.2 A 18 PHE CDy C 13 131.4 0.2 A 18 PHE N N 15 114.9 0.2 A 19 VAL H H 1 8.72 0.02 A 19 VAL HGx% H 1 1.23 0.02 A 19 VAL HGy% H 1 1.23 0.02 A 19 VAL C C 13 175.0 0.2 A 19 VAL CA C 13 62.4 0.2 A 19 VAL CB C 13 33.0 0.2 A 19 VAL CGx C 13 21.5 0.2 A 19 VAL CGy C 13 21.5 0.2 A 19 VAL N N 15 117.0 0.2 A 20 LEU H H 1 9.49 0.02 A 20 LEU HA H 1 5.87 0.02 A 20 LEU HDx% H 1 0.67 0.02 A 20 LEU HDy% H 1 0.67 0.02 A 20 LEU C C 13 176.8 0.2 A 20 LEU CA C 13 52.0 0.02 A 20 LEU CDx C 13 24.8 0.2 A 20 LEU CDy C 13 24.8 0.2 A 20 LEU N N 15 126.4 0.2 A 21 VAL H H 1 9.21 0.02 A 21 VAL HA H 1 5.74 0.02 A 21 VAL HGx% H 1 1.12 0.02 A 21 VAL HGy% H 1 1.00 0.02 A 21 VAL C C 13 174.6 0.2 A 21 VAL CA C 13 59.1 0.2 A 21 VAL CGy C 13 21.7 0.2 A 21 VAL CGx C 13 20.6 0.2 A 21 VAL N N 15 114.2 0.2 A 22 ASN H H 1 7.39 0.02 A 22 ASN C C 13 177.5 0.2 A 22 ASN CA C 13 49.6 0.2 A 22 ASN N N 15 121.0 0.2 A 23 ASP H H 1 8.38 0.02 A 23 ASP HA H 1 4.50 0.02 A 23 ASP HBy H 1 2.77 0.02 A 23 ASP HBx H 1 2.58 0.02 A 23 ASP C C 13 176.5 0.2 A 23 ASP CA C 13 56.1 0.2 A 23 ASP CB C 13 39.7 0.2 A 23 ASP N N 15 117.6 0.2 A 24 GLU H H 1 7.30 0.02 A 24 GLU HA H 1 4.44 0.02 A 24 GLU HBy H 1 2.26 0.02 A 24 GLU HBx H 1 1.68 0.02 A 24 GLU HGx H 1 2.12 0.02 A 24 GLU HGy H 1 2.12 0.02 A 24 GLU C C 13 175.1 0.2 A 24 GLU CA C 13 55.4 0.2 A 24 GLU CB C 13 29.1 0.2 A 24 GLU CG C 13 36.2 0.2 A 24 GLU N N 15 117.9 0.2 A 25 GLU H H 1 8.12 0.02 A 25 GLU HA H 1 3.83 0.02 A 25 GLU HBy H 1 2.50 0.02 A 25 GLU HBx H 1 2.28 0.02 A 25 GLU HGx H 1 2.29 0.02 A 25 GLU HGy H 1 2.29 0.02 A 25 GLU C C 13 175.9 0.2 A 25 GLU CA C 13 57.7 0.2 A 25 GLU CB C 13 26.5 0.2 A 25 GLU CG C 13 36.8 0.2 A 25 GLU N N 15 113.0 0.2 A 26 GLN H H 1 7.77 0.02 A 26 GLN HA H 1 4.37 0.02 A 26 GLN CA C 13 54.6 0.2 A 26 GLN CB C 13 29.4 0.2 A 26 GLN N N 15 117.1 0.2 A 27 HIS HA H 1 6.12 0.02 A 27 HIS C C 13 174.1 0.2 A 27 HIS CA C 13 53.9 0.2 A 28 SER H H 1 8.83 0.02 A 28 SER C C 13 173.2 0.2 A 28 SER CA C 13 57.7 0.2 A 28 SER N N 15 111.9 0.2 A 29 LEU H H 1 8.84 0.02 A 29 LEU HA H 1 5.31 0.02 A 29 LEU CA C 13 55.2 0.2 A 29 LEU N N 15 126.0 0.2 A 30 TRP HD1 H 1 7.00 0.02 A 30 TRP HE1 H 1 9.16 0.02 A 30 TRP HH2 H 1 7.41 0.02 A 30 TRP HZ2 H 1 7.50 0.02 A 30 TRP CD1 C 13 127.2 0.2 A 30 TRP CZ2 C 13 115.4 0.2 A 30 TRP NE1 N 15 129.1 0.2 A 31 PRO HA H 1 5.07 0.02 A 31 PRO HBy H 1 2.42 0.02 A 31 PRO HBx H 1 1.92 0.02 A 31 PRO HDy H 1 3.47 0.02 A 31 PRO HDx H 1 3.17 0.02 A 31 PRO HGx H 1 1.96 0.02 A 31 PRO HGy H 1 1.96 0.02 A 31 PRO C C 13 176.3 0.2 A 31 PRO CA C 13 62.0 0.2 A 31 PRO CB C 13 32.0 0.2 A 31 PRO CD C 13 49.9 0.2 A 31 PRO CG C 13 27.0 0.2 A 32 ALA H H 1 7.94 0.02 A 32 ALA HA H 1 3.86 0.02 A 32 ALA HB% H 1 0.55 0.02 A 32 ALA C C 13 177.6 0.2 A 32 ALA CA C 13 53.5 0.2 A 32 ALA CB C 13 17.6 0.2 A 32 ALA N N 15 121.5 0.2 A 33 PHE H H 1 6.97 0.02 A 33 PHE HA H 1 4.54 0.02 A 33 PHE HBy H 1 3.32 0.02 A 33 PHE HBx H 1 2.91 0.02 A 33 PHE C C 13 174.7 0.2 A 33 PHE CA C 13 56.4 0.2 A 33 PHE CB C 13 37.5 0.2 A 33 PHE N N 15 111.8 0.2 A 34 ALA H H 1 7.08 0.02 A 34 ALA HA H 1 4.63 0.02 A 34 ALA HB% H 1 1.03 0.02 A 34 ALA C C 13 177.7 0.2 A 34 ALA CA C 13 50.3 0.2 A 34 ALA CB C 13 20.2 0.2 A 34 ALA N N 15 125.7 0.2 A 35 ASP H H 1 8.96 0.02 A 35 ASP HA H 1 4.50 0.02 A 35 ASP HBy H 1 2.68 0.02 A 35 ASP HBx H 1 2.62 0.02 A 35 ASP C C 13 176.4 0.2 A 35 ASP CA C 13 55.0 0.2 A 35 ASP CB C 13 40.1 0.2 A 35 ASP N N 15 124.7 0.2 A 36 VAL H H 1 8.70 0.02 A 36 VAL HB H 1 1.82 0.02 A 36 VAL HGx% H 1 0.83 0.02 A 36 VAL HGy% H 1 0.69 0.02 A 36 VAL CA C 13 61.3 0.2 A 36 VAL CB C 13 32.1 0.2 A 36 VAL CGy C 13 22.2 0.2 A 36 VAL CGx C 13 21.1 0.2 A 36 VAL N N 15 125.8 0.2 A 37 PRO HA H 1 4.27 0.02 A 37 PRO HBy H 1 2.06 0.02 A 37 PRO HBx H 1 1.69 0.02 A 37 PRO HDy H 1 2.38 0.02 A 37 PRO HDx H 1 2.04 0.02 A 37 PRO HGx H 1 0.84 0.02 A 37 PRO HGy H 1 0.84 0.02 A 37 PRO C C 13 175.6 0.2 A 37 PRO CA C 13 62.1 0.2 A 37 PRO CB C 13 31.4 0.2 A 37 PRO CD C 13 49.8 0.2 A 37 PRO CG C 13 26.5 0.2 A 38 ALA H H 1 8.38 0.02 A 38 ALA HA H 1 4.23 0.02 A 38 ALA HB% H 1 1.45 0.02 A 38 ALA C C 13 179.1 0.2 A 38 ALA CA C 13 53.2 0.2 A 38 ALA CB C 13 18.1 0.2 A 38 ALA N N 15 122.8 0.2 A 39 GLY H H 1 8.88 0.02 A 39 GLY HAy H 1 4.24 0.02 A 39 GLY HAx H 1 3.63 0.02 A 39 GLY C C 13 173.8 0.2 A 39 GLY CA C 13 44.6 0.2 A 39 GLY N N 15 110.0 0.2 A 40 TRP H H 1 7.81 0.02 A 40 TRP HBx H 1 2.87 0.02 A 40 TRP HBy H 1 2.87 0.02 A 40 TRP HD1 H 1 6.93 0.02 A 40 TRP HE1 H 1 10.26 0.02 A 40 TRP HH2 H 1 7.00 0.02 A 40 TRP HZ2 H 1 7.54 0.02 A 40 TRP C C 13 174.8 0.2 A 40 TRP CA C 13 56.1 0.2 A 40 TRP CB C 13 31.6 0.2 A 40 TRP CD1 C 13 127.6 0.2 A 40 TRP CH2 C 13 124.0 0.2 A 40 TRP CZ2 C 13 114.5 0.2 A 40 TRP N N 15 120.3 0.2 A 40 TRP NE1 N 15 129.5 0.2 A 41 ARG H H 1 9.26 0.02 A 41 ARG HBx H 1 1.71 0.02 A 41 ARG HBy H 1 1.71 0.02 A 41 ARG HDx H 1 3.13 0.02 A 41 ARG HDy H 1 3.13 0.02 A 41 ARG HGy H 1 1.62 0.02 A 41 ARG HGx H 1 1.38 0.02 A 41 ARG C C 13 174.7 0.2 A 41 ARG CA C 13 54.0 0.2 A 41 ARG CB C 13 32.9 0.2 A 41 ARG CD C 13 43.0 0.2 A 41 ARG CG C 13 26.8 0.2 A 41 ARG N N 15 117.8 0.2 A 42 VAL H H 1 8.79 0.02 A 42 VAL HA H 1 4.09 0.02 A 42 VAL HB H 1 1.76 0.02 A 42 VAL HGx% H 1 0.68 0.02 A 42 VAL HGy% H 1 0.24 0.02 A 42 VAL C C 13 177.9 0.2 A 42 VAL CA C 13 63.3 0.2 A 42 VAL CB C 13 32.2 0.2 A 42 VAL CGy C 13 21.9 0.2 A 42 VAL CGx C 13 20.7 0.2 A 42 VAL N N 15 122.4 0.2 A 43 VAL H H 1 9.14 0.02 A 43 VAL HA H 1 4.79 0.02 A 43 VAL HB H 1 2.53 0.02 A 43 VAL HGx% H 1 1.10 0.02 A 43 VAL HGy% H 1 1.03 0.02 A 43 VAL C C 13 174.7 0.2 A 43 VAL CA C 13 60.6 0.2 A 43 VAL CB C 13 33.7 0.2 A 43 VAL CGy C 13 22.5 0.2 A 43 VAL CGx C 13 20.0 0.2 A 43 VAL N N 15 119.1 0.2 A 44 HIS H H 1 7.72 0.02 A 44 HIS HA H 1 4.55 0.02 A 44 HIS HBx H 1 1.97 0.02 A 44 HIS HBy H 1 1.97 0.02 A 44 HIS C C 13 173.4 0.2 A 44 HIS CA C 13 57.4 0.2 A 44 HIS CB C 13 32.7 0.2 A 44 HIS N N 15 119.2 0.2 A 45 GLY H H 1 7.68 0.02 A 45 GLY HAx H 1 3.07 0.02 A 45 GLY HAy H 1 3.07 0.02 A 45 GLY C C 13 174.6 0.2 A 45 GLY CA C 13 42.1 0.2 A 45 GLY N N 15 111.8 0.2 A 46 GLU H H 1 8.68 0.02 A 46 GLU HA H 1 4.19 0.02 A 46 GLU HBy H 1 1.68 0.02 A 46 GLU HBx H 1 1.63 0.02 A 46 GLU HGx H 1 1.92 0.02 A 46 GLU HGy H 1 1.92 0.02 A 46 GLU C C 13 175.2 0.2 A 46 GLU CA C 13 57.0 0.2 A 46 GLU CB C 13 30.4 0.2 A 46 GLU CG C 13 35.7 0.2 A 46 GLU N N 15 121.4 0.2 A 47 ALA H H 1 9.43 0.02 A 47 ALA HA H 1 4.80 0.02 A 47 ALA HB% H 1 1.57 0.02 A 47 ALA C C 13 174.9 0.2 A 47 ALA CA C 13 51.0 0.2 A 47 ALA CB C 13 22.0 0.2 A 47 ALA N N 15 126.7 0.2 A 48 ASP H H 1 8.56 0.02 A 48 ASP HBy H 1 3.32 0.02 A 48 ASP HBx H 1 2.92 0.02 A 48 ASP C C 13 175.8 0.2 A 48 ASP CA C 13 53.8 0.2 A 48 ASP CB C 13 40.9 0.2 A 48 ASP N N 15 117.4 0.2 A 49 ARG H H 1 9.31 0.02 A 49 ARG HA H 1 3.36 0.02 A 49 ARG HDy H 1 3.00 0.02 A 49 ARG HDx H 1 2.94 0.02 A 49 ARG HGy H 1 1.34 0.02 A 49 ARG HGx H 1 0.53 0.02 A 49 ARG C C 13 179.0 0.2 A 49 ARG CA C 13 60.9 0.2 A 49 ARG CD C 13 42.7 0.2 A 49 ARG CG C 13 27.7 0.2 A 49 ARG N N 15 121.5 0.2 A 50 ALA H H 1 8.62 0.02 A 50 ALA HA H 1 4.07 0.02 A 50 ALA HB% H 1 1.55 0.02 A 50 ALA C C 13 180.5 0.2 A 50 ALA CA C 13 55.2 0.2 A 50 ALA CB C 13 17.7 0.2 A 50 ALA N N 15 119.0 0.2 A 51 ALA H H 1 8.34 0.02 A 51 ALA HA H 1 4.33 0.02 A 51 ALA HB% H 1 1.80 0.02 A 51 ALA C C 13 182.3 0.2 A 51 ALA CA C 13 54.6 0.2 A 51 ALA CB C 13 18.8 0.2 A 51 ALA N N 15 121.7 0.2 A 52 CYS H H 1 8.30 0.02 A 52 CYS HA H 1 4.14 0.02 A 52 CYS HBy H 1 3.16 0.02 A 52 CYS HBx H 1 2.48 0.02 A 52 CYS C C 13 176.8 0.2 A 52 CYS CA C 13 64.5 0.2 A 52 CYS CB C 13 27.1 0.2 A 52 CYS N N 15 117.9 0.2 A 53 LEU H H 1 8.78 0.02 A 53 LEU HA H 1 4.17 0.02 A 53 LEU HBy H 1 1.99 0.02 A 53 LEU HBx H 1 1.59 0.02 A 53 LEU HG H 1 0.94 0.02 A 53 LEU C C 13 179.9 0.2 A 53 LEU CA C 13 58.1 0.2 A 53 LEU CB C 13 40.5 0.2 A 53 LEU CG C 13 22.6 0.2 A 53 LEU N N 15 120.6 0.2 A 54 GLU H H 1 8.35 0.02 A 54 GLU HA H 1 4.12 0.02 A 54 GLU HBy H 1 2.21 0.02 A 54 GLU HBx H 1 2.17 0.02 A 54 GLU HGy H 1 2.49 0.02 A 54 GLU HGx H 1 2.26 0.02 A 54 GLU C C 13 178.3 0.2 A 54 GLU CA C 13 59.3 0.2 A 54 GLU CB C 13 29.4 0.2 A 54 GLU CG C 13 36.3 0.2 A 54 GLU N N 15 120.6 0.2 A 55 TYR H H 1 7.89 0.02 A 55 TYR HA H 1 4.15 0.02 A 55 TYR HBy H 1 3.31 0.02 A 55 TYR HBx H 1 2.51 0.02 A 55 TYR HDx H 1 6.68 0.02 A 55 TYR HDy H 1 6.68 0.02 A 55 TYR HEx H 1 6.56 0.02 A 55 TYR HEy H 1 6.56 0.02 A 55 TYR CA C 13 61.7 0.2 A 55 TYR CB C 13 37.6 0.2 A 55 TYR CDx C 13 132.7 0.2 A 55 TYR CDy C 13 132.7 0.2 A 55 TYR CEx C 13 117.6 0.2 A 55 TYR CEy C 13 117.6 0.2 A 55 TYR N N 15 120.8 0.2 A 56 ILE HB H 1 2.18 0.02 A 56 ILE HD1% H 1 1.11 0.02 A 56 ILE HG2% H 1 1.11 0.02 A 56 ILE C C 13 176.7 0.2 A 56 ILE CB C 13 38.2 0.2 A 56 ILE CD1 C 13 13.8 0.2 A 56 ILE CG2 C 13 17.5 0.2 A 57 GLU H H 1 8.29 0.02 A 57 GLU HA H 1 4.03 0.02 A 57 GLU HBy H 1 2.15 0.02 A 57 GLU HBx H 1 2.05 0.02 A 57 GLU HGx H 1 2.40 0.02 A 57 GLU HGy H 1 2.40 0.02 A 57 GLU C C 13 177.7 0.2 A 57 GLU CA C 13 58.5 0.2 A 57 GLU CB C 13 28.9 0.2 A 57 GLU CG C 13 35.7 0.2 A 57 GLU N N 15 119.4 0.2 A 58 GLU H H 1 7.78 0.02 A 58 GLU HA H 1 3.88 0.02 A 58 GLU HBy H 1 1.89 0.02 A 58 GLU HBx H 1 1.60 0.02 A 58 GLU HGy H 1 2.01 0.02 A 58 GLU HGx H 1 1.62 0.02 A 58 GLU C C 13 177.6 0.2 A 58 GLU CA C 13 57.7 0.2 A 58 GLU CB C 13 29.4 0.2 A 58 GLU CG C 13 35.4 0.2 A 58 GLU N N 15 115.0 0.2 A 59 HIS H H 1 7.42 0.02 A 59 HIS CA C 13 58.4 0.2 A 59 HIS CB C 13 28.0 0.2 A 59 HIS N N 15 113.7 0.2 A 60 TRP HD1 H 1 7.41 0.02 A 60 TRP HE1 H 1 10.40 0.02 A 60 TRP HH2 H 1 7.09 0.02 A 60 TRP HZ2 H 1 7.66 0.02 A 60 TRP HZ3 H 1 6.86 0.02 A 60 TRP CD1 C 13 127.2 0.2 A 60 TRP CH2 C 13 123.5 0.2 A 60 TRP CZ2 C 13 114.6 0.2 A 60 TRP CZ3 C 13 119.9 0.2 A 60 TRP NE1 N 15 129.6 0.2 A 63 ILE HB H 1 2.03 0.02 A 63 ILE HD1% H 1 0.94 0.02 A 63 ILE HG1y H 1 1.56 0.02 A 63 ILE HG1x H 1 1.31 0.02 A 63 ILE HG2% H 1 0.96 0.02 A 63 ILE CB C 13 38.6 0.2 A 63 ILE CD1 C 13 13.1 0.2 A 63 ILE CG1 C 13 26.8 0.2 A 63 ILE CG2 C 13 17.6 0.2 A 68 LEU CA C 13 55.7 0.2 A 68 LEU CB C 13 42.1 0.2 A 68 LEU CDy C 13 24.8 0.2 A 68 LEU CDx C 13 23.5 0.2 A 68 LEU CG C 13 27.0 0.2 A 69 ARG H H 1 8.55 0.02 A 69 ARG N N 15 121.1 0.2 A 70 ASP C C 13 176.0 0.2 A 70 ASP CA C 13 55.6 0.2 A 70 ASP CB C 13 41.0 0.2 A 71 LYS H H 1 8.26 0.02 A 71 LYS HA H 1 4.22 0.02 A 71 LYS HBx H 1 2.11 0.02 A 71 LYS HBy H 1 2.11 0.02 A 71 LYS C C 13 177.5 0.2 A 71 LYS CA C 13 57.1 0.2 A 71 LYS CB C 13 32.6 0.2 A 71 LYS CD C 13 29.2 0.2 A 71 LYS CG C 13 24.8 0.2 A 71 LYS N N 15 121.2 0.2 A 72 LEU H H 1 8.33 0.02 A 72 LEU HBy H 1 1.78 0.02 A 72 LEU HBx H 1 1.71 0.02 A 72 LEU CA C 13 55.3 0.2 A 72 LEU CB C 13 42.1 0.2 A 72 LEU CDy C 13 24.9 0.2 A 72 LEU CDx C 13 23.1 0.2 A 72 LEU CG C 13 27.0 0.2 A 72 LEU N N 15 121.6 0.2 A 73 ALA H H 1 8.25 0.02 A 73 ALA HA H 1 4.41 0.02 A 73 ALA HB% H 1 1.47 0.02 A 73 ALA C C 13 177.9 0.2 A 73 ALA CA C 13 52.5 0.2 A 73 ALA CB C 13 18.8 0.2 A 73 ALA N N 15 123.9 0.2 A 74 THR H H 1 8.16 0.02 A 74 THR HA H 1 4.40 0.02 A 74 THR HB H 1 4.33 0.02 A 74 THR HG2% H 1 1.29 0.02 A 74 THR C C 13 175.2 0.2 A 74 THR CA C 13 61.7 0.2 A 74 THR CB C 13 69.7 0.2 A 74 THR CG2 C 13 21.3 0.2 A 74 THR N N 15 112.0 0.2 A 75 GLY H H 1 8.54 0.02 A 75 GLY C C 13 174.1 0.2 A 75 GLY CA C 13 45.4 0.2 A 75 GLY N N 15 110.6 0.2 A 76 ARG H H 1 8.34 0.02 A 76 ARG HA H 1 4.37 0.02 A 76 ARG HBy H 1 1.89 0.02 A 76 ARG HBx H 1 1.77 0.02 A 76 ARG HDx H 1 3.23 0.02 A 76 ARG HDy H 1 3.23 0.02 A 76 ARG HGy H 1 1.68 0.02 A 76 ARG HGx H 1 1.65 0.02 A 76 ARG C C 13 176.6 0.2 A 76 ARG CA C 13 56.0 0.2 A 76 ARG CB C 13 30.4 0.2 A 76 ARG CD C 13 43.0 0.2 A 76 ARG CG C 13 26.8 0.2 A 76 ARG N N 15 120.1 0.2 A 77 GLY H H 1 8.56 0.02 A 77 GLY HAy H 1 3.93 0.02 A 77 GLY HAx H 1 3.89 0.02 A 77 GLY C C 13 173.8 0.2 A 77 GLY CA C 13 44.9 0.2 A 77 GLY N N 15 109.4 0.2 A 78 PHE H H 1 8.27 0.02 A 78 PHE HBy H 1 3.26 0.02 A 78 PHE HBx H 1 3.03 0.02 A 78 PHE C C 13 175.5 0.2 A 78 PHE CA C 13 57.8 0.2 A 78 PHE CB C 13 39.3 0.2 A 78 PHE N N 15 119.2 0.2 A 79 ASP H H 1 8.54 0.02 A 79 ASP HA H 1 4.63 0.02 A 79 ASP HBy H 1 2.74 0.02 A 79 ASP HBx H 1 2.65 0.02 A 79 ASP C C 13 175.0 0.2 A 79 ASP CA C 13 54.3 0.2 A 79 ASP CB C 13 40.7 0.2 A 79 ASP N N 15 121.4 0.2 A 80 GLN H H 1 7.90 0.02 A 80 GLN HBy H 1 2.17 0.02 A 80 GLN HBx H 1 1.96 0.02 A 80 GLN CA C 13 57.3 0.2 A 80 GLN CB C 13 30.3 0.2 A 80 GLN N N 15 124.3 0.2 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 5 MET HA A 71 LYS H 1.0 1.8 4.82 2 2 A 5 MET HA A 5 MET HE% 1.0 1.8 3.14 3 3 A 7 ILE HA A 7 ILE HG2% 1.0 1.8 3.41 4 4 A 7 ILE H A 7 ILE HG1y 1.0 1.8 3.98 5 5 A 7 ILE HG2% A 7 ILE HG1x 1.0 1.8 3.37 6 6 A 7 ILE HG2% A 7 ILE HG1y 1.0 1.8 3.37 7 7 A 7 ILE HG2% A 7 ILE H 1.0 1.8 3.89 8 8 A 7 ILE HB A 7 ILE HD1% 1.0 1.8 4.00 9 9 A 14 ASN H A 14 ASN HBy 1.0 1.8 4.09 10 10 A 14 ASN H A 13 ASP HBx 1.0 1.8 4.10 11 11 A 14 ASN H A 13 ASP HBy 1.0 1.8 4.10 12 12 A 17 PHE H A 16 SER HBx 1.0 1.8 5.10 13 13 A 17 PHE H A 16 SER HBy 1.0 1.8 5.10 14 14 A 26 GLN H A 25 GLU HGx 1.0 1.8 5.50 15 15 A 26 GLN H A 25 GLU HGy 1.0 1.8 5.50 16 16 A 58 GLU H A 58 GLU HBx 1.0 1.8 3.71 17 17 A 58 GLU H A 58 GLU HBy 1.0 1.8 3.71 18 18 A 55 TYR HA A 58 GLU HBy 1.0 1.8 4.50 19 19 A 55 TYR HA A 58 GLU HBx 1.0 1.8 4.50 20 20 A 35 ASP H A 35 ASP HBx 1.0 1.8 3.80 21 21 A 36 VAL H A 35 ASP HBy 1.0 1.8 4.43 22 22 A 36 VAL H A 35 ASP HBx 1.0 1.8 4.43 23 23 A 36 VAL H A 36 VAL HB 1.0 1.8 3.73 24 24 A 36 VAL H A 36 VAL HGx% 1.0 1.8 4.06 25 25 A 38 ALA H A 38 ALA HB% 1.0 1.8 3.05 26 26 A 38 ALA HB% A 39 GLY H 1.0 1.8 3.83 27 27 A 42 VAL H A 41 ARG HBx 1.0 1.8 5.13 28 28 A 42 VAL H A 41 ARG HBy 1.0 1.8 5.13 29 29 A 41 ARG H A 41 ARG HGy 1.0 1.8 4.89 30 30 A 41 ARG H A 41 ARG HGx 1.0 1.8 4.89 31 31 A 43 VAL H A 43 VAL HGx% 1.0 1.8 3.98 32 32 A 44 HIS H A 43 VAL HGx% 1.0 1.8 4.31 33 33 A 60 TRP HH2 A 43 VAL HGx% 1.0 1.8 4.47 34 34 A 60 TRP HZ3 A 43 VAL HGx% 1.0 1.8 4.77 35 35 A 43 VAL H A 43 VAL HGy% 1.0 1.8 3.98 36 36 A 60 TRP HZ3 A 43 VAL HGy% 1.0 1.8 4.77 37 37 A 60 TRP HH2 A 43 VAL HGy% 1.0 1.8 4.47 38 38 A 46 GLU H A 46 GLU HBx 1.0 1.8 4.10 39 39 A 30 TRP HZ2 A 46 GLU HGx 1.0 1.8 5.50 40 40 A 30 TRP HZ2 A 46 GLU HGy 1.0 1.8 5.50 41 41 A 46 GLU H A 46 GLU HGx 1.0 1.8 4.73 42 42 A 46 GLU H A 46 GLU HGy 1.0 1.8 4.73 43 43 A 47 ALA H A 46 GLU HGx 1.0 1.8 5.43 44 44 A 47 ALA H A 46 GLU HGy 1.0 1.8 5.43 45 45 A 47 ALA HB% A 51 ALA H 1.0 1.8 4.38 46 46 A 47 ALA HB% A 46 GLU HA 1.0 1.8 4.23 47 47 A 47 ALA HB% A 51 ALA HB% 1.0 1.8 2.76 48 48 A 50 ALA HA A 53 LEU HG 1.0 1.8 3.82 49 49 A 51 ALA HB% A 50 ALA HA 1.0 1.8 5.13 50 50 A 50 ALA HA A 53 LEU H 1.0 1.8 4.13 51 51 A 50 ALA H A 50 ALA HB% 1.0 1.8 3.07 52 52 A 53 LEU H A 50 ALA HB% 1.0 1.8 5.19 53 53 A 51 ALA HB% A 50 ALA HB% 1.0 1.8 4.01 54 54 A 47 ALA HB% A 51 ALA HA 1.0 1.8 4.20 55 55 A 51 ALA H A 51 ALA HB% 1.0 1.8 2.89 56 56 A 52 CYS HA A 55 TYR HDy 1.0 1.8 4.34 57 57 A 54 GLU HA A 53 LEU HBy 1.0 1.8 4.90 58 58 A 54 GLU HA A 53 LEU HBx 1.0 1.8 4.90 59 59 A 53 LEU HA A 56 ILE HB 1.0 1.8 5.00 60 60 A 53 LEU HA A 56 ILE HG2% 1.0 1.8 4.46 61 61 A 55 TYR H A 54 GLU HBx 1.0 1.8 4.47 62 62 A 54 GLU H A 54 GLU HBx 1.0 1.8 3.79 63 63 A 54 GLU H A 54 GLU HGx 1.0 1.8 4.57 64 64 A 54 GLU HA A 54 GLU HGy 1.0 1.8 3.83 65 65 A 54 GLU HA A 54 GLU HGx 1.0 1.8 3.83 66 66 A 57 GLU HA A 59 HIS H 1.0 1.8 5.15 67 67 A 58 GLU H A 57 GLU HBy 1.0 1.8 4.27 68 68 A 57 GLU HBy A 57 GLU H 1.0 1.8 3.81 69 69 A 54 GLU HA A 57 GLU HBx 1.0 1.8 3.67 70 70 A 54 GLU HA A 57 GLU HBy 1.0 1.8 3.97 71 71 A 58 GLU HA A 58 GLU HGy 1.0 1.8 3.83 72 72 A 58 GLU H A 58 GLU HGy 1.0 1.8 4.81 73 73 A 58 GLU H A 58 GLU HGx 1.0 1.8 4.81 74 74 A 58 GLU HA A 58 GLU HGx 1.0 1.8 3.83 75 75 A 76 ARG HA A 76 ARG HGy 1.0 1.8 4.20 76 76 A 5 MET HE% A 72 LEU HBy 1.0 1.8 4.99 77 77 A 5 MET HE% A 72 LEU HBx 1.0 1.8 4.99 78 78 A 72 LEU H A 73 ALA HB% 1.0 1.8 4.42 79 79 A 74 THR HA A 74 THR HG2% 1.0 1.8 3.57 80 80 A 76 ARG HA A 76 ARG HGx 1.0 1.8 4.20 81 81 A 76 ARG HA A 76 ARG HDx 1.0 1.8 5.50 82 82 A 76 ARG HA A 76 ARG HDy 1.0 1.8 5.50 83 83 A 79 ASP H A 79 ASP HBy 1.0 1.8 4.17 84 84 A 43 VAL H A 42 VAL HGx% 1.0 1.8 4.50 85 85 A 30 TRP HZ2 A 42 VAL HGx% 1.0 1.8 5.20 86 86 A 42 VAL HA A 42 VAL HGx% 1.0 1.8 3.78 87 87 A 30 TRP HZ2 A 42 VAL HGy% 1.0 1.8 5.20 88 88 A 43 VAL H A 42 VAL HA 1.0 1.8 3.37 89 89 A 44 HIS H A 42 VAL HA 1.0 1.8 4.07 90 90 A 42 VAL HA A 20 LEU HA 1.0 1.8 4.20 91 91 A 42 VAL HA A 42 VAL HGy% 1.0 1.8 3.78 92 92 A 49 ARG H A 48 ASP HBx 1.0 1.8 4.38 93 93 A 49 ARG H A 48 ASP HBy 1.0 1.8 4.38 94 94 A 20 LEU HA A 20 LEU HDx% 1.0 1.8 4.67 95 95 A 32 ALA HB% A 46 GLU HGx 1.0 1.8 5.27 96 96 A 32 ALA HB% A 46 GLU HGy 1.0 1.8 5.27 97 97 A 32 ALA HB% A 33 PHE H 1.0 1.8 4.38 98 98 A 32 ALA HB% A 32 ALA H 1.0 1.8 3.55 99 99 A 38 ALA HB% A 37 PRO HA 1.0 1.8 4.38 100 100 A 34 ALA H A 34 ALA HB% 1.0 1.8 3.77 101 101 A 5 MET HE% A 71 LYS HBx 1.0 1.8 3.36 102 102 A 5 MET HE% A 71 LYS HBy 1.0 1.8 3.36 103 103 A 34 ALA H A 33 PHE HBx 1.0 1.8 4.48 104 104 A 34 ALA H A 33 PHE HBy 1.0 1.8 4.48 105 105 A 20 LEU HA A 20 LEU HDy% 1.0 1.8 4.67 106 106 A 20 LEU HA A 42 VAL HB 1.0 1.8 4.88 107 107 A 53 LEU HG A 53 LEU HA 1.0 1.8 3.57 108 108 A 36 VAL H A 36 VAL HGy% 1.0 1.8 4.06 109 109 A 53 LEU HG A 49 ARG HDx 1.0 1.8 4.90 110 110 A 53 LEU HG A 49 ARG HDy 1.0 1.8 4.90 111 111 A 19 VAL H A 19 VAL HGx% 1.0 1.8 4.65 112 112 A 19 VAL H A 19 VAL HGy% 1.0 1.8 4.65 113 113 A 53 LEU HA A 56 ILE HD1% 1.0 1.8 5.26 114 114 A 56 ILE HB A 56 ILE HD1% 1.0 1.8 3.72 115 115 A 63 ILE HB A 63 ILE HD1% 1.0 1.8 3.68 116 116 A 56 ILE HG2% A 57 GLU HA 1.0 1.8 4.57 117 117 A 55 TYR HA A 55 TYR HDx 1.0 1.8 4.00 118 118 A 5 MET HE% A 6 SER H 1.0 1.8 4.86 119 119 A 7 ILE H A 7 ILE HG1x 1.0 1.8 3.98 120 120 A 7 ILE H A 7 ILE HB 1.0 1.8 3.10 121 121 A 7 ILE H A 6 SER HA 1.0 1.8 2.66 122 122 A 7 ILE HB A 8 ASN H 1.0 1.8 4.75 123 123 A 7 ILE HG2% A 8 ASN H 1.0 1.8 4.91 124 124 A 14 ASN H A 14 ASN HBx 1.0 1.8 4.09 125 125 A 14 ASN H A 15 GLY H 1.0 1.8 4.35 126 126 A 17 PHE H A 18 PHE H 1.0 1.8 4.62 127 127 A 19 VAL H A 18 PHE HDy 1.0 1.8 4.56 128 128 A 43 VAL H A 19 VAL H 1.0 1.8 4.91 129 129 A 19 VAL H A 18 PHE HBy 1.0 1.8 4.72 130 130 A 19 VAL H A 18 PHE HBx 1.0 1.8 4.72 131 131 A 23 ASP H A 24 GLU H 1.0 1.8 4.35 132 132 A 23 ASP H A 23 ASP HBy 1.0 1.8 3.94 133 133 A 23 ASP H A 23 ASP HBx 1.0 1.8 3.94 134 134 A 24 GLU H A 24 GLU HBy 1.0 1.8 4.14 135 135 A 24 GLU H A 24 GLU HGx 1.0 1.8 5.27 136 136 A 24 GLU H A 24 GLU HGy 1.0 1.8 5.27 137 137 A 24 GLU H A 24 GLU HBx 1.0 1.8 4.14 138 138 A 24 GLU H A 25 GLU H 1.0 1.8 3.71 139 139 A 25 GLU H A 25 GLU HGx 1.0 1.8 4.00 140 140 A 25 GLU H A 25 GLU HGy 1.0 1.8 4.00 141 141 A 25 GLU H A 24 GLU HGx 1.0 1.8 5.50 142 142 A 25 GLU H A 24 GLU HGy 1.0 1.8 5.50 143 143 A 25 GLU H A 23 ASP HA 1.0 1.8 4.22 144 144 A 26 GLN H A 25 GLU H 1.0 1.8 3.80 145 145 A 20 LEU H A 29 LEU HA 1.0 1.8 4.22 146 146 A 20 LEU H A 29 LEU H 1.0 1.8 4.71 147 147 A 20 LEU H A 21 VAL H 1.0 1.8 4.59 148 148 A 35 ASP H A 34 ALA HB% 1.0 1.8 3.75 149 149 A 35 ASP H A 35 ASP HBy 1.0 1.8 3.80 150 150 A 35 ASP H A 34 ALA HA 1.0 1.8 3.17 151 151 A 36 VAL H A 35 ASP HA 1.0 1.8 3.35 152 152 A 36 VAL H A 34 ALA HB% 1.0 1.8 5.20 153 153 A 38 ALA H A 37 PRO HBx 1.0 1.8 4.17 154 154 A 38 ALA H A 37 PRO HA 1.0 1.8 3.01 155 155 A 38 ALA H A 37 PRO HBy 1.0 1.8 4.17 156 156 A 39 GLY H A 38 ALA HA 1.0 1.8 3.15 157 157 A 39 GLY H A 40 TRP H 1.0 1.8 3.94 158 158 A 38 ALA HA A 40 TRP H 1.0 1.8 4.31 159 159 A 38 ALA HB% A 40 TRP H 1.0 1.8 4.88 160 160 A 42 VAL H A 42 VAL HB 1.0 1.8 3.02 161 161 A 42 VAL H A 42 VAL HGx% 1.0 1.8 4.40 162 162 A 42 VAL H A 42 VAL HGy% 1.0 1.8 4.40 163 163 A 43 VAL H A 42 VAL HGy% 1.0 1.8 4.50 164 164 A 43 VAL H A 44 HIS H 1.0 1.8 3.14 165 165 A 44 HIS H A 19 VAL H 1.0 1.8 3.86 166 166 A 44 HIS H A 43 VAL HGy% 1.0 1.8 4.31 167 167 A 46 GLU H A 30 TRP HZ2 1.0 1.8 3.98 168 168 A 46 GLU H A 46 GLU HBy 1.0 1.8 4.10 169 169 A 46 GLU H A 47 ALA H 1.0 1.8 4.90 170 170 A 47 ALA H A 46 GLU HA 1.0 1.8 3.31 171 171 A 47 ALA H A 47 ALA HB% 1.0 1.8 3.37 172 172 A 51 ALA HB% A 48 ASP H 1.0 1.8 3.63 173 173 A 47 ALA HB% A 48 ASP H 1.0 1.8 3.17 174 174 A 51 ALA HB% A 49 ARG H 1.0 1.8 5.10 175 175 A 50 ALA H A 49 ARG H 1.0 1.8 4.65 176 176 A 51 ALA HB% A 50 ALA H 1.0 1.8 4.56 177 177 A 51 ALA H A 50 ALA H 1.0 1.8 3.86 178 178 A 51 ALA H A 50 ALA HB% 1.0 1.8 3.26 179 179 A 5 MET HE% A 72 LEU H 1.0 1.8 4.38 180 180 A 52 CYS H A 52 CYS HBy 1.0 1.8 4.12 181 181 A 52 CYS H A 52 CYS HBx 1.0 1.8 4.12 182 182 A 51 ALA HB% A 52 CYS H 1.0 1.8 3.54 183 183 A 47 ALA HB% A 52 CYS H 1.0 1.8 4.27 184 184 A 53 LEU HG A 52 CYS H 1.0 1.8 4.86 185 185 A 53 LEU H A 52 CYS H 1.0 1.8 3.97 186 186 A 53 LEU H A 52 CYS HBy 1.0 1.8 4.59 187 187 A 53 LEU H A 53 LEU HBy 1.0 1.8 3.94 188 188 A 51 ALA HB% A 53 LEU H 1.0 1.8 4.87 189 189 A 53 LEU H A 53 LEU HBx 1.0 1.8 3.94 190 190 A 53 LEU HG A 53 LEU H 1.0 1.8 3.87 191 191 A 53 LEU H A 52 CYS HBx 1.0 1.8 4.59 192 192 A 55 TYR H A 55 TYR HBy 1.0 1.8 4.10 193 193 A 55 TYR H A 55 TYR HBx 1.0 1.8 4.10 194 194 A 55 TYR H A 54 GLU HBy 1.0 1.8 4.47 195 195 A 58 GLU H A 57 GLU H 1.0 1.8 4.12 196 196 A 58 GLU H A 59 HIS H 1.0 1.8 4.19 197 197 A 58 GLU H A 55 TYR HA 1.0 1.8 4.56 198 198 A 58 GLU H A 57 GLU HBx 1.0 1.8 4.27 199 199 A 59 HIS H A 57 GLU H 1.0 1.8 4.82 200 200 A 71 LYS H A 5 MET HE% 1.0 1.8 3.64 201 201 A 71 LYS H A 71 LYS HBx 1.0 1.8 3.66 202 202 A 71 LYS H A 71 LYS HBy 1.0 1.8 3.66 203 203 A 72 LEU H A 71 LYS HBx 1.0 1.8 5.25 204 204 A 72 LEU H A 71 LYS HBy 1.0 1.8 5.25 205 205 A 73 ALA HB% A 73 ALA H 1.0 1.8 3.78 206 206 A 72 LEU H A 73 ALA H 1.0 1.8 3.27 207 207 A 74 THR HG2% A 74 THR H 1.0 1.8 3.90 208 208 A 73 ALA HB% A 74 THR H 1.0 1.8 3.85 209 209 A 74 THR H A 73 ALA HA 1.0 1.8 3.18 210 210 A 74 THR H A 75 GLY H 1.0 1.8 4.88 211 211 A 79 ASP H A 78 PHE H 1.0 1.8 5.06 212 212 A 78 PHE H A 78 PHE HBy 1.0 1.8 3.91 213 213 A 78 PHE H A 78 PHE HBx 1.0 1.8 3.91 214 214 A 78 PHE H A 77 GLY H 1.0 1.8 4.36 215 215 A 79 ASP H A 78 PHE HBy 1.0 1.8 3.98 216 216 A 79 ASP H A 78 PHE HBx 1.0 1.8 3.98 217 217 A 79 ASP H A 79 ASP HBx 1.0 1.8 4.17 218 218 A 77 GLY H A 76 ARG H 1.0 1.8 4.31 219 219 A 76 ARG H A 76 ARG HGy 1.0 1.8 4.98 220 220 A 76 ARG H A 76 ARG HGx 1.0 1.8 4.98 221 221 A 76 ARG H A 76 ARG HBx 1.0 1.8 3.86 222 222 A 76 ARG H A 76 ARG HBy 1.0 1.8 3.86 223 223 A 76 ARG HA A 77 GLY H 1.0 1.8 3.27 224 224 A 80 GLN H A 79 ASP HBx 1.0 1.8 4.74 225 225 A 80 GLN H A 79 ASP HBy 1.0 1.8 4.74 226 226 A 79 ASP H A 80 GLN H 1.0 1.8 3.84 227 227 A 53 LEU H A 54 GLU H 1.0 1.8 4.12 228 228 A 55 TYR H A 54 GLU H 1.0 1.8 3.93 229 229 A 51 ALA HA A 54 GLU H 1.0 1.8 4.41 230 230 A 54 GLU H A 54 GLU HGy 1.0 1.8 4.57 231 231 A 54 GLU H A 54 GLU HBy 1.0 1.8 3.79 232 232 A 54 GLU H A 53 LEU HBy 1.0 1.8 4.40 233 233 A 54 GLU H A 53 LEU HBx 1.0 1.8 4.40 234 234 A 53 LEU HG A 54 GLU H 1.0 1.8 4.83 235 235 A 57 GLU H A 57 GLU HGx 1.0 1.8 5.36 236 236 A 57 GLU H A 57 GLU HGy 1.0 1.8 5.36 237 237 A 57 GLU H A 57 GLU HBx 1.0 1.8 3.58 238 238 A 43 VAL H A 21 VAL H 1.0 1.8 4.14 239 239 A 5 MET HA A 71 LYS HBy 1.0 1.8 3.50 240 239 A 5 MET HA A 71 LYS HBx 1.0 1.8 3.50 241 240 A 5 MET HE% A 71 LYS HBy 1.0 1.8 2.92 242 240 A 5 MET HE% A 71 LYS HBx 1.0 1.8 2.92 243 241 A 5 MET HE% A 72 LEU HBy 1.0 1.8 4.21 244 241 A 5 MET HE% A 72 LEU HBx 1.0 1.8 4.21 245 242 A 6 SER H A 6 SER HBx 1.0 1.8 3.54 246 242 A 6 SER H A 6 SER HBy 1.0 1.8 3.54 247 243 A 7 ILE H A 6 SER HBx 1.0 1.8 3.43 248 243 A 7 ILE H A 6 SER HBy 1.0 1.8 3.43 249 244 A 7 ILE H A 7 ILE HG1y 1.0 1.8 3.16 250 244 A 7 ILE H A 7 ILE HG1x 1.0 1.8 3.16 251 245 A 14 ASN H A 13 ASP HBx 1.0 1.8 3.50 252 245 A 14 ASN H A 13 ASP HBy 1.0 1.8 3.50 253 246 A 14 ASN H A 14 ASN HBy 1.0 1.8 3.57 254 246 A 14 ASN H A 14 ASN HBx 1.0 1.8 3.57 255 247 A 17 PHE H A 16 SER HBx 1.0 1.8 4.38 256 247 A 17 PHE H A 16 SER HBy 1.0 1.8 4.38 257 248 A 19 VAL H A 18 PHE HBx 1.0 1.8 3.88 258 248 A 19 VAL H A 18 PHE HBy 1.0 1.8 3.88 259 249 A 18 PHE HBx A 42 VAL HGy% 1.0 1.8 4.53 260 249 A 18 PHE HBy A 42 VAL HGy% 1.0 1.8 4.53 261 249 A 42 VAL HGx% A 18 PHE HBx 1.0 1.8 4.53 262 249 A 18 PHE HBy A 42 VAL HGx% 1.0 1.8 4.53 263 250 A 18 PHE HBy A 46 GLU HBy 1.0 1.8 4.56 264 250 A 18 PHE HBx A 46 GLU HBy 1.0 1.8 4.56 265 250 A 46 GLU HBx A 18 PHE HBx 1.0 1.8 4.56 266 250 A 18 PHE HBy A 46 GLU HBx 1.0 1.8 4.56 267 251 A 47 ALA H A 18 PHE HBx 1.0 1.8 4.40 268 251 A 47 ALA H A 18 PHE HBy 1.0 1.8 4.40 269 252 A 18 PHE HDy A 42 VAL HGy% 1.0 1.8 4.84 270 252 A 18 PHE HDy A 42 VAL HGx% 1.0 1.8 4.84 271 253 A 19 VAL H A 19 VAL HGy% 1.0 1.8 4.07 272 253 A 19 VAL H A 19 VAL HGx% 1.0 1.8 4.07 273 254 A 19 VAL H A 42 VAL HGy% 1.0 1.8 3.95 274 254 A 19 VAL H A 42 VAL HGx% 1.0 1.8 3.95 275 255 A 19 VAL H A 43 VAL HGy% 1.0 1.8 5.44 276 255 A 19 VAL H A 43 VAL HGx% 1.0 1.8 5.44 277 256 A 19 VAL H A 44 HIS HBx 1.0 1.8 3.87 278 256 A 19 VAL H A 44 HIS HBy 1.0 1.8 3.87 279 257 A 19 VAL HGx% A 44 HIS HBx 1.0 1.8 3.99 280 257 A 19 VAL HGy% A 44 HIS HBx 1.0 1.8 3.99 281 257 A 44 HIS HBy A 19 VAL HGy% 1.0 1.8 3.99 282 257 A 19 VAL HGx% A 44 HIS HBy 1.0 1.8 3.99 283 258 A 19 VAL HGx% A 55 TYR HBx 1.0 1.8 3.85 284 258 A 19 VAL HGy% A 55 TYR HBx 1.0 1.8 3.85 285 258 A 55 TYR HBy A 19 VAL HGy% 1.0 1.8 3.85 286 258 A 19 VAL HGx% A 55 TYR HBy 1.0 1.8 3.85 287 259 A 55 TYR HDx A 19 VAL HGy% 1.0 1.8 4.03 288 259 A 55 TYR HDx A 19 VAL HGx% 1.0 1.8 4.03 289 260 A 20 LEU HA A 20 LEU HDx% 1.0 1.8 4.08 290 260 A 20 LEU HA A 20 LEU HDy% 1.0 1.8 4.08 291 261 A 20 LEU HA A 42 VAL HGy% 1.0 1.8 4.27 292 261 A 20 LEU HA A 42 VAL HGx% 1.0 1.8 4.27 293 262 A 20 LEU HA A 43 VAL HGy% 1.0 1.8 4.32 294 262 A 20 LEU HA A 43 VAL HGx% 1.0 1.8 4.32 295 263 A 20 LEU HDx% A 40 TRP HBx 1.0 1.8 4.39 296 263 A 20 LEU HDy% A 40 TRP HBx 1.0 1.8 4.39 297 263 A 40 TRP HBy A 20 LEU HDx% 1.0 1.8 4.39 298 263 A 20 LEU HDy% A 40 TRP HBy 1.0 1.8 4.39 299 264 A 41 ARG H A 20 LEU HDx% 1.0 1.8 4.69 300 264 A 41 ARG H A 20 LEU HDy% 1.0 1.8 4.69 301 265 A 42 VAL H A 20 LEU HDx% 1.0 1.8 4.03 302 265 A 42 VAL H A 20 LEU HDy% 1.0 1.8 4.03 303 266 A 42 VAL HA A 20 LEU HDx% 1.0 1.8 3.74 304 266 A 42 VAL HA A 20 LEU HDy% 1.0 1.8 3.74 305 267 A 20 LEU HDx% A 42 VAL HGy% 1.0 1.8 3.13 306 267 A 20 LEU HDy% A 42 VAL HGy% 1.0 1.8 3.13 307 267 A 42 VAL HGx% A 20 LEU HDx% 1.0 1.8 3.13 308 267 A 42 VAL HGx% A 20 LEU HDy% 1.0 1.8 3.13 309 268 A 21 VAL H A 21 VAL HGx% 1.0 1.8 4.12 310 268 A 21 VAL H A 21 VAL HGy% 1.0 1.8 4.12 311 269 A 21 VAL H A 43 VAL HGy% 1.0 1.8 5.44 312 269 A 21 VAL H A 43 VAL HGx% 1.0 1.8 5.44 313 270 A 22 ASN H A 21 VAL HGx% 1.0 1.8 4.59 314 270 A 21 VAL HGy% A 22 ASN H 1.0 1.8 4.59 315 271 A 60 TRP HZ2 A 21 VAL HGx% 1.0 1.8 4.61 316 271 A 21 VAL HGy% A 60 TRP HZ2 1.0 1.8 4.61 317 272 A 60 TRP HH2 A 21 VAL HGx% 1.0 1.8 4.25 318 272 A 60 TRP HH2 A 21 VAL HGy% 1.0 1.8 4.25 319 273 A 24 GLU H A 24 GLU HGx 1.0 1.8 4.56 320 273 A 24 GLU H A 24 GLU HGy 1.0 1.8 4.56 321 274 A 24 GLU HA A 24 GLU HGx 1.0 1.8 3.64 322 274 A 24 GLU HGy A 24 GLU HA 1.0 1.8 3.64 323 275 A 26 GLN H A 24 GLU HBy 1.0 1.8 4.56 324 275 A 26 GLN H A 24 GLU HBx 1.0 1.8 4.56 325 276 A 25 GLU H A 25 GLU HGx 1.0 1.8 3.36 326 276 A 25 GLU H A 25 GLU HGy 1.0 1.8 3.36 327 277 A 25 GLU HA A 25 GLU HGx 1.0 1.8 3.54 328 277 A 25 GLU HGy A 25 GLU HA 1.0 1.8 3.54 329 278 A 25 GLU HBy A 25 GLU HGx 1.0 1.8 2.29 330 278 A 25 GLU HBx A 25 GLU HGx 1.0 1.8 2.29 331 278 A 25 GLU HGy A 25 GLU HBy 1.0 1.8 2.29 332 278 A 25 GLU HGy A 25 GLU HBx 1.0 1.8 2.29 333 279 A 26 GLN H A 25 GLU HBy 1.0 1.8 4.28 334 279 A 26 GLN H A 25 GLU HBx 1.0 1.8 4.28 335 280 A 30 TRP HE1 A 36 VAL HGy% 1.0 1.8 5.20 336 280 A 30 TRP HE1 A 36 VAL HGx% 1.0 1.8 5.20 337 281 A 30 TRP HE1 A 42 VAL HGy% 1.0 1.8 4.66 338 281 A 42 VAL HGx% A 30 TRP HE1 1.0 1.8 4.66 339 282 A 30 TRP HZ2 A 36 VAL HGy% 1.0 1.8 4.70 340 282 A 30 TRP HZ2 A 36 VAL HGx% 1.0 1.8 4.70 341 283 A 30 TRP HZ2 A 42 VAL HGy% 1.0 1.8 4.41 342 283 A 30 TRP HZ2 A 42 VAL HGx% 1.0 1.8 4.41 343 284 A 30 TRP HZ2 A 46 GLU HBy 1.0 1.8 4.20 344 284 A 30 TRP HZ2 A 46 GLU HBx 1.0 1.8 4.20 345 285 A 30 TRP HZ2 A 46 GLU HGx 1.0 1.8 4.83 346 285 A 30 TRP HZ2 A 46 GLU HGy 1.0 1.8 4.83 347 286 A 32 ALA HB% A 46 GLU HBy 1.0 1.8 3.93 348 286 A 32 ALA HB% A 46 GLU HBx 1.0 1.8 3.93 349 287 A 32 ALA HB% A 46 GLU HGx 1.0 1.8 4.46 350 287 A 32 ALA HB% A 46 GLU HGy 1.0 1.8 4.46 351 288 A 35 ASP H A 35 ASP HBx 1.0 1.8 3.20 352 288 A 35 ASP H A 35 ASP HBy 1.0 1.8 3.20 353 289 A 35 ASP HA A 36 VAL HGy% 1.0 1.8 4.42 354 289 A 35 ASP HA A 36 VAL HGx% 1.0 1.8 4.42 355 290 A 36 VAL H A 35 ASP HBx 1.0 1.8 3.89 356 290 A 36 VAL H A 35 ASP HBy 1.0 1.8 3.89 357 291 A 36 VAL H A 36 VAL HGy% 1.0 1.8 3.29 358 291 A 36 VAL H A 36 VAL HGx% 1.0 1.8 3.29 359 292 A 36 VAL HGy% A 37 PRO HDy 1.0 1.8 3.61 360 292 A 36 VAL HGx% A 37 PRO HDy 1.0 1.8 3.61 361 292 A 37 PRO HDx A 36 VAL HGy% 1.0 1.8 3.61 362 292 A 36 VAL HGx% A 37 PRO HDx 1.0 1.8 3.61 363 293 A 40 TRP H A 36 VAL HGy% 1.0 1.8 4.95 364 293 A 40 TRP H A 36 VAL HGx% 1.0 1.8 4.95 365 294 A 36 VAL HGx% A 40 TRP HBx 1.0 1.8 3.80 366 294 A 36 VAL HGy% A 40 TRP HBx 1.0 1.8 3.80 367 294 A 40 TRP HBy A 36 VAL HGy% 1.0 1.8 3.80 368 294 A 40 TRP HBy A 36 VAL HGx% 1.0 1.8 3.80 369 295 A 40 TRP HE1 A 36 VAL HGy% 1.0 1.8 5.16 370 295 A 36 VAL HGx% A 40 TRP HE1 1.0 1.8 5.16 371 296 A 38 ALA H A 37 PRO HBx 1.0 1.8 3.56 372 296 A 38 ALA H A 37 PRO HBy 1.0 1.8 3.56 373 297 A 38 ALA HB% A 37 PRO HBx 1.0 1.8 5.34 374 297 A 38 ALA HB% A 37 PRO HBy 1.0 1.8 5.34 375 298 A 40 TRP HD1 A 37 PRO HBx 1.0 1.8 4.29 376 298 A 37 PRO HBy A 40 TRP HD1 1.0 1.8 4.29 377 299 A 40 TRP HE1 A 37 PRO HBx 1.0 1.8 4.51 378 299 A 40 TRP HE1 A 37 PRO HBy 1.0 1.8 4.51 379 300 A 40 TRP HD1 A 37 PRO HGx 1.0 1.8 4.23 380 300 A 40 TRP HD1 A 37 PRO HGy 1.0 1.8 4.23 381 301 A 40 TRP HE1 A 37 PRO HGx 1.0 1.8 4.61 382 301 A 40 TRP HE1 A 37 PRO HGy 1.0 1.8 4.61 383 302 A 40 TRP HD1 A 37 PRO HDy 1.0 1.8 3.99 384 302 A 37 PRO HDx A 40 TRP HD1 1.0 1.8 3.99 385 303 A 40 TRP H A 40 TRP HBx 1.0 1.8 3.57 386 303 A 40 TRP H A 40 TRP HBy 1.0 1.8 3.57 387 304 A 41 ARG H A 40 TRP HBx 1.0 1.8 4.24 388 304 A 41 ARG H A 40 TRP HBy 1.0 1.8 4.24 389 305 A 41 ARG H A 41 ARG HGy 1.0 1.8 4.21 390 305 A 41 ARG H A 41 ARG HGx 1.0 1.8 4.21 391 306 A 42 VAL H A 41 ARG HBy 1.0 1.8 4.44 392 306 A 42 VAL H A 41 ARG HBx 1.0 1.8 4.44 393 307 A 42 VAL H A 42 VAL HGy% 1.0 1.8 3.30 394 307 A 42 VAL H A 42 VAL HGx% 1.0 1.8 3.30 395 308 A 42 VAL HA A 43 VAL HGy% 1.0 1.8 4.10 396 308 A 42 VAL HA A 43 VAL HGx% 1.0 1.8 4.10 397 309 A 43 VAL H A 42 VAL HGy% 1.0 1.8 3.49 398 309 A 43 VAL H A 42 VAL HGx% 1.0 1.8 3.49 399 310 A 44 HIS H A 42 VAL HGy% 1.0 1.8 3.23 400 310 A 44 HIS H A 42 VAL HGx% 1.0 1.8 3.23 401 311 A 43 VAL H A 43 VAL HGy% 1.0 1.8 3.13 402 311 A 43 VAL H A 43 VAL HGx% 1.0 1.8 3.13 403 312 A 44 HIS H A 43 VAL HGy% 1.0 1.8 3.39 404 312 A 44 HIS H A 43 VAL HGx% 1.0 1.8 3.39 405 313 A 43 VAL HGy% A 44 HIS HBx 1.0 1.8 3.82 406 313 A 43 VAL HGx% A 44 HIS HBx 1.0 1.8 3.82 407 313 A 44 HIS HBy A 43 VAL HGy% 1.0 1.8 3.82 408 313 A 43 VAL HGx% A 44 HIS HBy 1.0 1.8 3.82 409 314 A 60 TRP HZ2 A 43 VAL HGy% 1.0 1.8 4.50 410 314 A 43 VAL HGx% A 60 TRP HZ2 1.0 1.8 4.50 411 315 A 60 TRP HH2 A 43 VAL HGy% 1.0 1.8 3.59 412 315 A 60 TRP HH2 A 43 VAL HGx% 1.0 1.8 3.59 413 316 A 46 GLU H A 46 GLU HBy 1.0 1.8 3.40 414 316 A 46 GLU H A 46 GLU HBx 1.0 1.8 3.40 415 317 A 46 GLU H A 46 GLU HGx 1.0 1.8 4.07 416 317 A 46 GLU H A 46 GLU HGy 1.0 1.8 4.07 417 318 A 47 ALA H A 46 GLU HBy 1.0 1.8 4.12 418 318 A 47 ALA H A 46 GLU HBx 1.0 1.8 4.12 419 319 A 47 ALA H A 46 GLU HGx 1.0 1.8 4.67 420 319 A 47 ALA H A 46 GLU HGy 1.0 1.8 4.67 421 320 A 48 ASP H A 48 ASP HBx 1.0 1.8 3.51 422 320 A 48 ASP H A 48 ASP HBy 1.0 1.8 3.51 423 321 A 50 ALA H A 48 ASP HBx 1.0 1.8 4.90 424 321 A 50 ALA H A 48 ASP HBy 1.0 1.8 4.90 425 322 A 53 LEU HG A 49 ARG HGy 1.0 1.8 4.04 426 322 A 53 LEU HG A 49 ARG HGx 1.0 1.8 4.04 427 323 A 50 ALA HA A 53 LEU HBy 1.0 1.8 3.78 428 323 A 50 ALA HA A 53 LEU HBx 1.0 1.8 3.78 429 324 A 51 ALA HA A 54 GLU HBy 1.0 1.8 3.50 430 324 A 51 ALA HA A 54 GLU HBx 1.0 1.8 3.50 431 325 A 52 CYS H A 52 CYS HBx 1.0 1.8 3.57 432 325 A 52 CYS H A 52 CYS HBy 1.0 1.8 3.57 433 326 A 52 CYS HA A 55 TYR HBx 1.0 1.8 4.49 434 326 A 52 CYS HA A 55 TYR HBy 1.0 1.8 4.49 435 327 A 53 LEU H A 52 CYS HBx 1.0 1.8 3.96 436 327 A 53 LEU H A 52 CYS HBy 1.0 1.8 3.96 437 328 A 53 LEU HA A 52 CYS HBx 1.0 1.8 4.48 438 328 A 53 LEU HA A 52 CYS HBy 1.0 1.8 4.48 439 329 A 53 LEU H A 53 LEU HBy 1.0 1.8 3.41 440 329 A 53 LEU H A 53 LEU HBx 1.0 1.8 3.41 441 330 A 53 LEU H A 54 GLU HBy 1.0 1.8 4.77 442 330 A 53 LEU H A 54 GLU HBx 1.0 1.8 4.77 443 331 A 54 GLU H A 53 LEU HBy 1.0 1.8 3.82 444 331 A 54 GLU H A 53 LEU HBx 1.0 1.8 3.82 445 332 A 54 GLU HA A 53 LEU HBy 1.0 1.8 4.12 446 332 A 54 GLU HA A 53 LEU HBx 1.0 1.8 4.12 447 333 A 54 GLU H A 54 GLU HBy 1.0 1.8 3.15 448 333 A 54 GLU H A 54 GLU HBx 1.0 1.8 3.15 449 334 A 54 GLU HA A 54 GLU HGy 1.0 1.8 3.34 450 334 A 54 GLU HA A 54 GLU HGx 1.0 1.8 3.34 451 335 A 55 TYR H A 54 GLU HBy 1.0 1.8 3.78 452 335 A 55 TYR H A 54 GLU HBx 1.0 1.8 3.78 453 336 A 55 TYR H A 55 TYR HBx 1.0 1.8 3.55 454 336 A 55 TYR H A 55 TYR HBy 1.0 1.8 3.55 455 337 A 55 TYR HA A 58 GLU HBy 1.0 1.8 3.86 456 337 A 55 TYR HA A 58 GLU HBx 1.0 1.8 3.86 457 338 A 55 TYR HA A 58 GLU HGy 1.0 1.8 4.89 458 338 A 55 TYR HA A 58 GLU HGx 1.0 1.8 4.89 459 339 A 57 GLU HBy A 56 ILE HG1x 1.0 1.8 4.43 460 339 A 57 GLU HBy A 56 ILE HG1y 1.0 1.8 4.43 461 340 A 57 GLU H A 57 GLU HGx 1.0 1.8 4.61 462 340 A 57 GLU H A 57 GLU HGy 1.0 1.8 4.61 463 341 A 58 GLU H A 58 GLU HBy 1.0 1.8 3.21 464 341 A 58 GLU H A 58 GLU HBx 1.0 1.8 3.21 465 342 A 58 GLU H A 58 GLU HGy 1.0 1.8 4.17 466 342 A 58 GLU H A 58 GLU HGx 1.0 1.8 4.17 467 343 A 58 GLU HA A 58 GLU HGy 1.0 1.8 3.25 468 343 A 58 GLU HA A 58 GLU HGx 1.0 1.8 3.25 469 344 A 59 HIS H A 58 GLU HBy 1.0 1.8 3.95 470 344 A 59 HIS H A 58 GLU HBx 1.0 1.8 3.95 471 345 A 71 LYS H A 71 LYS HBy 1.0 1.8 3.19 472 345 A 71 LYS H A 71 LYS HBx 1.0 1.8 3.19 473 346 A 72 LEU H A 71 LYS HBy 1.0 1.8 4.47 474 346 A 72 LEU H A 71 LYS HBx 1.0 1.8 4.47 475 347 A 76 ARG H A 76 ARG HBx 1.0 1.8 3.37 476 347 A 76 ARG H A 76 ARG HBy 1.0 1.8 3.37 477 348 A 76 ARG H A 76 ARG HGy 1.0 1.8 4.26 478 348 A 76 ARG H A 76 ARG HGx 1.0 1.8 4.26 479 349 A 76 ARG HA A 76 ARG HGy 1.0 1.8 3.66 480 349 A 76 ARG HA A 76 ARG HGx 1.0 1.8 3.66 481 350 A 76 ARG HA A 76 ARG HDx 1.0 1.8 4.79 482 350 A 76 ARG HA A 76 ARG HDy 1.0 1.8 4.79 483 351 A 76 ARG HBx A 76 ARG HGy 1.0 1.8 2.29 484 351 A 76 ARG HBy A 76 ARG HGy 1.0 1.8 2.29 485 351 A 76 ARG HGx A 76 ARG HBx 1.0 1.8 2.29 486 351 A 76 ARG HBy A 76 ARG HGx 1.0 1.8 2.29 487 352 A 76 ARG HBy A 76 ARG HDx 1.0 1.8 3.33 488 352 A 76 ARG HDy A 76 ARG HBx 1.0 1.8 3.33 489 352 A 76 ARG HBy A 76 ARG HDy 1.0 1.8 3.33 490 352 A 76 ARG HBx A 76 ARG HDx 1.0 1.8 3.33 491 353 A 78 PHE H A 77 GLY HAy 1.0 1.8 2.97 492 353 A 78 PHE H A 77 GLY HAx 1.0 1.8 2.97 493 354 A 78 PHE H A 78 PHE HBx 1.0 1.8 3.19 494 354 A 78 PHE H A 78 PHE HBy 1.0 1.8 3.19 495 355 A 79 ASP H A 79 ASP HBx 1.0 1.8 3.44 496 355 A 79 ASP H A 79 ASP HBy 1.0 1.8 3.44 497 356 A 80 GLN H A 79 ASP HBx 1.0 1.8 3.97 498 356 A 80 GLN H A 79 ASP HBy 1.0 1.8 3.97 499 357 A 80 GLN H A 80 GLN HBy 1.0 1.8 3.21 500 357 A 80 GLN H A 80 GLN HBx 1.0 1.8 3.21 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 52 CYS H A 48 ASP O 1.0 1.8 2.0 2 2 A 48 ASP O A 52 CYS N 1.0 2.7 3.0 3 3 A 53 LEU H A 49 ARG O 1.0 1.8 2.0 4 4 A 49 ARG O A 53 LEU N 1.0 2.7 3.0 5 5 A 55 TYR H A 51 ALA O 1.0 1.8 2.0 6 6 A 51 ALA O A 55 TYR N 1.0 2.7 3.0 7 7 A 58 GLU H A 54 GLU O 1.0 1.8 2.0 8 8 A 54 GLU O A 58 GLU N 1.0 2.7 3.0 9 9 A 43 VAL H A 19 VAL O 1.0 1.8 2.0 10 10 A 19 VAL O A 43 VAL N 1.0 2.7 3.0 11 11 A 19 VAL H A 44 HIS O 1.0 1.8 2.0 12 12 A 44 HIS O A 19 VAL N 1.0 2.7 3.0 13 13 A 20 LEU O A 28 SER H 1.0 1.8 2.0 14 14 A 20 LEU O A 28 SER N 1.0 2.7 3.0 15 15 A 20 LEU H A 28 SER O 1.0 1.8 2.0 16 16 A 28 SER O A 20 LEU N 1.0 2.7 3.0 17 17 A 21 VAL H A 41 ARG O 1.0 1.8 2.0 18 18 A 41 ARG O A 21 VAL N 1.0 2.7 3.0 19 19 A 41 ARG H A 21 VAL O 1.0 1.8 2.0 20 20 A 21 VAL O A 41 ARG N 1.0 2.7 3.0 21 21 A 22 ASN H A 26 GLN O 1.0 1.8 2.0 22 22 A 26 GLN O A 22 ASN N 1.0 2.7 3.0 23 23 A 17 PHE H A 51 ALA O 1.0 1.8 2.0 24 24 A 51 ALA O A 17 PHE N 1.0 2.7 3.0 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 3 GLY C A 4 SER N A 4 SER CA A 4 SER C 1.0 -108.0 -49.0 PHI 2 2 A 4 SER N A 4 SER CA A 4 SER C A 5 MET N 1.0 103.0 194.0 PSI 3 3 A 4 SER C A 5 MET N A 5 MET CA A 5 MET C 1.0 -103.4 -21.4 PHI 4 4 A 5 MET N A 5 MET CA A 5 MET C A 6 SER N 1.0 -64.7 14.3 PSI 5 5 A 12 ASP C A 13 ASP N A 13 ASP CA A 13 ASP C 1.0 -78.7 -45.7 PHI 6 6 A 13 ASP N A 13 ASP CA A 13 ASP C A 14 ASN N 1.0 -102.8 29.4 PSI 7 7 A 13 ASP C A 14 ASN N A 14 ASN CA A 14 ASN C 1.0 -96.7 -68.9 PHI 8 8 A 14 ASN N A 14 ASN CA A 14 ASN C A 15 GLY N 1.0 -29.7 14.9 PSI 9 9 A 16 SER C A 17 PHE N A 17 PHE CA A 17 PHE C 1.0 -158.4 -69.0 PHI 10 10 A 17 PHE N A 17 PHE CA A 17 PHE C A 18 PHE N 1.0 104.2 199.2 PSI 11 11 A 17 PHE C A 18 PHE N A 18 PHE CA A 18 PHE C 1.0 -150.2 -126.8 PHI 12 12 A 18 PHE N A 18 PHE CA A 18 PHE C A 19 VAL N 1.0 132.2 183.2 PSI 13 13 A 18 PHE C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -161.2 -101.0 PHI 14 14 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 LEU N 1.0 101.5 158.5 PSI 15 15 A 19 VAL C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -120.7 -87.5 PHI 16 16 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 VAL N 1.0 123.6 176.2 PSI 17 17 A 20 LEU C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -173.3 -93.1 PHI 18 18 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 ASN N 1.0 126.5 182.9 PSI 19 19 A 21 VAL C A 22 ASN N A 22 ASN CA A 22 ASN C 1.0 -151.2 -67.8 PHI 20 20 A 22 ASN N A 22 ASN CA A 22 ASN C A 23 ASP N 1.0 126.6 204.0 PSI 21 21 A 23 ASP C A 24 GLU N A 24 GLU CA A 24 GLU C 1.0 -124.2 -68.8 PHI 22 22 A 24 GLU N A 24 GLU CA A 24 GLU C A 25 GLU N 1.0 -0.7 30.1 PSI 23 23 A 24 GLU C A 25 GLU N A 25 GLU CA A 25 GLU C 1.0 48.7 73.7 PHI 24 24 A 25 GLU N A 25 GLU CA A 25 GLU C A 26 GLN N 1.0 6.8 56.6 PSI 25 25 A 25 GLU C A 26 GLN N A 26 GLN CA A 26 GLN C 1.0 -152.9 -48.9 PHI 26 26 A 26 GLN N A 26 GLN CA A 26 GLN C A 27 HIS N 1.0 118.0 174.0 PSI 27 27 A 31 PRO C A 32 ALA N A 32 ALA CA A 32 ALA C 1.0 -83.7 -44.1 PHI 28 28 A 32 ALA N A 32 ALA CA A 32 ALA C A 33 PHE N 1.0 -46.6 -1.8 PSI 29 29 A 32 ALA C A 33 PHE N A 33 PHE CA A 33 PHE C 1.0 -112.7 -81.7 PHI 30 30 A 33 PHE N A 33 PHE CA A 33 PHE C A 34 ALA N 1.0 -27.2 40.8 PSI 31 31 A 33 PHE C A 34 ALA N A 34 ALA CA A 34 ALA C 1.0 -162.2 -37.0 PHI 32 32 A 34 ALA N A 34 ALA CA A 34 ALA C A 35 ASP N 1.0 59.5 183.5 PSI 33 33 A 34 ALA C A 35 ASP N A 35 ASP CA A 35 ASP C 1.0 -95.5 -64.1 PHI 34 34 A 35 ASP N A 35 ASP CA A 35 ASP C A 36 VAL N 1.0 107.5 139.5 PSI 35 35 A 35 ASP C A 36 VAL N A 36 VAL CA A 36 VAL C 1.0 -112.0 -52.2 PHI 36 36 A 36 VAL N A 36 VAL CA A 36 VAL C A 37 PRO N 1.0 102.3 163.9 PSI 37 37 A 37 PRO C A 38 ALA N A 38 ALA CA A 38 ALA C 1.0 -82.6 -44.8 PHI 38 38 A 38 ALA N A 38 ALA CA A 38 ALA C A 39 GLY N 1.0 119.5 152.1 PSI 39 39 A 38 ALA C A 39 GLY N A 39 GLY CA A 39 GLY C 1.0 60.2 113.8 PHI 40 40 A 39 GLY N A 39 GLY CA A 39 GLY C A 40 TRP N 1.0 -35.4 26.6 PSI 41 41 A 40 TRP C A 41 ARG N A 41 ARG CA A 41 ARG C 1.0 -165.8 -82.6 PHI 42 42 A 41 ARG N A 41 ARG CA A 41 ARG C A 42 VAL N 1.0 126.9 167.1 PSI 43 43 A 41 ARG C A 42 VAL N A 42 VAL CA A 42 VAL C 1.0 -90.7 -56.7 PHI 44 44 A 42 VAL N A 42 VAL CA A 42 VAL C A 43 VAL N 1.0 111.9 147.9 PSI 45 45 A 42 VAL C A 43 VAL N A 43 VAL CA A 43 VAL C 1.0 -149.5 -59.1 PHI 46 46 A 43 VAL N A 43 VAL CA A 43 VAL C A 44 HIS N 1.0 -43.3 7.5 PSI 47 47 A 45 GLY C A 46 GLU N A 46 GLU CA A 46 GLU C 1.0 -144.5 -26.1 PHI 48 48 A 46 GLU N A 46 GLU CA A 46 GLU C A 47 ALA N 1.0 112.4 154.4 PSI 49 49 A 46 GLU C A 47 ALA N A 47 ALA CA A 47 ALA C 1.0 -163.2 -94.0 PHI 50 50 A 47 ALA N A 47 ALA CA A 47 ALA C A 48 ASP N 1.0 134.4 181.6 PSI 51 51 A 47 ALA C A 48 ASP N A 48 ASP CA A 48 ASP C 1.0 -98.4 -52.6 PHI 52 52 A 48 ASP N A 48 ASP CA A 48 ASP C A 49 ARG N 1.0 141.9 179.3 PSI 53 53 A 48 ASP C A 49 ARG N A 49 ARG CA A 49 ARG C 1.0 -65.7 -45.7 PHI 54 54 A 49 ARG N A 49 ARG CA A 49 ARG C A 50 ALA N 1.0 -56.0 -28.2 PSI 55 55 A 49 ARG C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -71.9 -51.9 PHI 56 56 A 50 ALA N A 50 ALA CA A 50 ALA C A 51 ALA N 1.0 -52.2 -32.2 PSI 57 57 A 50 ALA C A 51 ALA N A 51 ALA CA A 51 ALA C 1.0 -75.9 -55.9 PHI 58 58 A 51 ALA N A 51 ALA CA A 51 ALA C A 52 CYS N 1.0 -51.5 -31.5 PSI 59 59 A 51 ALA C A 52 CYS N A 52 CYS CA A 52 CYS C 1.0 -72.6 -52.6 PHI 60 60 A 52 CYS N A 52 CYS CA A 52 CYS C A 53 LEU N 1.0 -65.4 -22.8 PSI 61 61 A 52 CYS C A 53 LEU N A 53 LEU CA A 53 LEU C 1.0 -71.3 -51.3 PHI 62 62 A 53 LEU N A 53 LEU CA A 53 LEU C A 54 GLU N 1.0 -54.0 -24.0 PSI 63 63 A 53 LEU C A 54 GLU N A 54 GLU CA A 54 GLU C 1.0 -76.8 -55.6 PHI 64 64 A 54 GLU N A 54 GLU CA A 54 GLU C A 55 TYR N 1.0 -52.9 -25.3 PSI 65 65 A 54 GLU C A 55 TYR N A 55 TYR CA A 55 TYR C 1.0 -85.9 -46.7 PHI 66 66 A 55 TYR N A 55 TYR CA A 55 TYR C A 56 ILE N 1.0 -64.5 -13.7 PSI 67 67 A 55 TYR C A 56 ILE N A 56 ILE CA A 56 ILE C 1.0 -73.5 -53.5 PHI 68 68 A 56 ILE N A 56 ILE CA A 56 ILE C A 57 GLU N 1.0 -53.3 -33.3 PSI 69 69 A 56 ILE C A 57 GLU N A 57 GLU CA A 57 GLU C 1.0 -73.3 -51.3 PHI 70 70 A 57 GLU N A 57 GLU CA A 57 GLU C A 58 GLU N 1.0 -57.2 -18.0 PSI 71 71 A 57 GLU C A 58 GLU N A 58 GLU CA A 58 GLU C 1.0 -98.3 -47.1 PHI 72 72 A 58 GLU N A 58 GLU CA A 58 GLU C A 59 HIS N 1.0 -62.1 -14.9 PSI stop_ save_