data_nef_c30320_5wod 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 5WOD 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 SER cyclic . . 2 A 2 PRO middle . false 3 A 3 GLU middle . . 4 A 4 GLU middle . . 5 A 5 ARG middle . . 6 A 6 ALA middle . . 7 A 7 GLN middle . . 8 A 8 LEU middle . . 9 A 9 LEU middle . . 10 A 10 THR middle . . 11 A 11 ALA middle . . 12 A 12 ALA middle . . 13 A 13 GLU middle . . 14 A 14 LYS middle . . 15 A 15 ALA middle . . 16 A 16 ASP middle . . 17 A 17 GLU middle . . 18 A 18 LEU middle . . 19 A 19 GLY middle . false 20 A 20 CYS middle . . 21 A 21 PRO middle . false 22 A 22 GLU middle . . 23 A 23 GLU middle . . 24 A 24 ARG middle . . 25 A 25 ALA middle . . 26 A 26 GLN middle . . 27 A 27 LEU middle . . 28 A 28 LEU middle . . 29 A 29 THR middle . . 30 A 30 ALA middle . . 31 A 31 ALA middle . . 32 A 32 GLU middle . . 33 A 33 LYS middle . . 34 A 34 ALA middle . . 35 A 35 ASP middle . . 36 A 36 GLU middle . . 37 A 37 LEU middle . . 38 A 38 GLY cyclic . false stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 SER H1 H 1 8.07 0.05 A 1 SER HA H 1 4.97 0.05 A 1 SER CB C 13 63.45 0.20 A 2 PRO HA H 1 4.28 0.05 A 2 PRO HB2 H 1 1.98 0.05 A 2 PRO HB3 H 1 2.38 0.05 A 2 PRO HD2 H 1 3.92 0.05 A 2 PRO HD3 H 1 3.79 0.05 A 2 PRO HG2 H 1 2.13 0.05 A 2 PRO HG3 H 1 2.05 0.05 A 2 PRO CA C 13 64.98 0.20 A 2 PRO CB C 13 31.96 0.20 A 2 PRO CD C 13 50.78 0.20 A 3 GLU H H 1 8.58 0.05 A 3 GLU HA H 1 4.20 0.05 A 3 GLU HB2 H 1 2.04 0.05 A 3 GLU HB3 H 1 2.07 0.05 A 3 GLU HG2 H 1 2.43 0.05 A 3 GLU HG3 H 1 2.46 0.05 A 3 GLU CA C 13 58.70 0.20 A 3 GLU CB C 13 28.16 0.20 A 4 GLU H H 1 7.89 0.05 A 4 GLU HA H 1 4.17 0.05 A 4 GLU HG2 H 1 2.41 0.05 A 4 GLU HG3 H 1 2.45 0.05 A 4 GLU CA C 13 58.03 0.20 A 5 ARG H H 1 8.15 0.05 A 5 ARG HA H 1 3.95 0.05 A 5 ARG HB2 H 1 1.82 0.05 A 5 ARG HB3 H 1 1.92 0.05 A 5 ARG HD2 H 1 3.12 0.05 A 5 ARG HD3 H 1 3.20 0.05 A 5 ARG HE H 1 7.27 0.05 A 5 ARG HG2 H 1 1.56 0.05 A 5 ARG HG3 H 1 1.71 0.05 A 5 ARG CB C 13 30.08 0.20 A 6 ALA H H 1 8.05 0.05 A 6 ALA HA H 1 4.14 0.05 A 6 ALA CA C 13 54.66 0.20 A 6 ALA CB C 13 18.38 0.20 A 7 GLN H H 1 7.93 0.05 A 7 GLN HA H 1 4.13 0.05 A 7 GLN HE21 H 1 7.44 0.05 A 7 GLN HE22 H 1 6.81 0.05 A 7 GLN HG2 H 1 2.41 0.05 A 7 GLN HG3 H 1 2.52 0.05 A 8 LEU H H 1 8.11 0.05 A 8 LEU HA H 1 4.19 0.05 A 8 LEU HB2 H 1 1.75 0.05 A 8 LEU HB3 H 1 1.83 0.05 A 8 LEU HDx% H 1 0.83 0.05 A 8 LEU HDy% H 1 0.87 0.05 A 8 LEU HG H 1 1.55 0.05 A 8 LEU CB C 13 42.18 0.20 A 9 LEU H H 1 8.24 0.05 A 9 LEU HA H 1 4.18 0.05 A 9 LEU HB2 H 1 1.74 0.05 A 9 LEU HB3 H 1 1.83 0.05 A 9 LEU HDx% H 1 0.81 0.05 A 9 LEU HDy% H 1 0.86 0.05 A 9 LEU HG H 1 1.55 0.05 A 9 LEU CA C 13 57.23 0.20 A 9 LEU CB C 13 41.82 0.20 A 10 THR H H 1 8.10 0.05 A 10 THR HA H 1 4.31 0.05 A 10 THR HB H 1 4.08 0.05 A 10 THR CB C 13 69.30 0.20 A 11 ALA H H 1 8.11 0.05 A 11 ALA HA H 1 4.13 0.05 A 11 ALA CA C 13 54.84 0.20 A 11 ALA CB C 13 18.08 0.20 A 12 ALA H H 1 8.44 0.05 A 12 ALA HA H 1 4.06 0.05 A 12 ALA CA C 13 54.84 0.20 A 12 ALA CB C 13 18.08 0.20 A 13 GLU H H 1 7.92 0.05 A 13 GLU HA H 1 4.17 0.05 A 13 GLU CA C 13 57.75 0.20 A 14 LYS H H 1 7.94 0.05 A 14 LYS HA H 1 4.13 0.05 A 14 LYS HB2 H 1 1.85 0.05 A 14 LYS HB3 H 1 1.91 0.05 A 14 LYS HG2 H 1 1.47 0.05 A 14 LYS HG3 H 1 1.54 0.05 A 14 LYS CB C 13 32.24 0.20 A 15 ALA H H 1 7.99 0.05 A 15 ALA HA H 1 4.15 0.05 A 15 ALA CA C 13 54.09 0.20 A 15 ALA CB C 13 18.16 0.20 A 16 ASP H H 1 8.05 0.05 A 16 ASP HA H 1 4.49 0.05 A 16 ASP HB2 H 1 2.78 0.05 A 16 ASP HB3 H 1 2.94 0.05 A 16 ASP CA C 13 61.37 0.20 A 16 ASP CB C 13 39.65 0.20 A 17 GLU H H 1 8.06 0.05 A 17 GLU HA H 1 4.20 0.05 A 17 GLU HB2 H 1 2.12 0.05 A 17 GLU HB3 H 1 2.16 0.05 A 17 GLU HG2 H 1 2.45 0.05 A 17 GLU HG3 H 1 2.56 0.05 A 17 GLU CA C 13 57.69 0.20 A 17 GLU CB C 13 28.14 0.20 A 18 LEU H H 1 8.03 0.05 A 18 LEU HA H 1 4.34 0.05 A 18 LEU HB2 H 1 1.70 0.05 A 18 LEU HB3 H 1 1.73 0.05 A 18 LEU HDx% H 1 0.86 0.05 A 18 LEU HDy% H 1 0.90 0.05 A 18 LEU HG H 1 1.63 0.05 A 18 LEU CA C 13 55.37 0.20 A 18 LEU CB C 13 42.20 0.20 A 19 GLY H H 1 8.08 0.05 A 19 GLY HA2 H 1 4.02 0.05 A 19 GLY HA3 H 1 4.02 0.05 A 19 GLY CA C 13 45.75 0.20 A 20 CYS H H 1 8.05 0.05 A 20 CYS HA H 1 4.96 0.05 A 20 CYS HB2 H 1 2.94 0.05 A 20 CYS HB3 H 1 3.02 0.05 A 20 CYS CB C 13 27.71 0.20 A 21 PRO HA H 1 4.29 0.05 A 21 PRO HB2 H 1 1.99 0.05 A 21 PRO HB3 H 1 2.35 0.05 A 21 PRO HD2 H 1 3.86 0.05 A 21 PRO HD3 H 1 3.68 0.05 A 21 PRO HG2 H 1 2.08 0.05 A 21 PRO HG3 H 1 2.05 0.05 A 21 PRO CA C 13 64.98 0.20 A 21 PRO CB C 13 31.96 0.20 A 21 PRO CD C 13 50.98 0.20 A 22 GLU H H 1 8.72 0.05 A 22 GLU HA H 1 4.24 0.05 A 22 GLU CA C 13 58.70 0.20 A 22 GLU CB C 13 28.17 0.20 A 23 GLU H H 1 7.89 0.05 A 23 GLU HA H 1 4.17 0.05 A 23 GLU CA C 13 58.09 0.20 A 24 ARG H H 1 8.07 0.05 A 24 ARG HA H 1 3.97 0.05 A 24 ARG HB2 H 1 1.80 0.05 A 24 ARG HB3 H 1 1.93 0.05 A 24 ARG HD2 H 1 3.12 0.05 A 24 ARG HD3 H 1 3.19 0.05 A 24 ARG HE H 1 7.33 0.05 A 24 ARG HG2 H 1 1.56 0.05 A 24 ARG HG3 H 1 1.71 0.05 A 24 ARG CB C 13 30.08 0.20 A 25 ALA H H 1 8.10 0.05 A 25 ALA HA H 1 4.14 0.05 A 25 ALA CA C 13 54.66 0.20 A 25 ALA CB C 13 18.38 0.20 A 26 GLN H H 1 7.95 0.05 A 26 GLN HA H 1 4.15 0.05 A 26 GLN HE21 H 1 7.46 0.05 A 26 GLN HE22 H 1 6.82 0.05 A 26 GLN HG2 H 1 2.41 0.05 A 26 GLN HG3 H 1 2.50 0.05 A 27 LEU H H 1 8.16 0.05 A 27 LEU HA H 1 4.19 0.05 A 27 LEU HB2 H 1 1.74 0.05 A 27 LEU HB3 H 1 1.81 0.05 A 27 LEU HDx% H 1 0.82 0.05 A 27 LEU HDy% H 1 0.86 0.05 A 27 LEU HG H 1 1.54 0.05 A 27 LEU CB C 13 42.18 0.20 A 28 LEU H H 1 8.28 0.05 A 28 LEU HA H 1 4.19 0.05 A 28 LEU HB2 H 1 1.73 0.05 A 28 LEU HB3 H 1 1.82 0.05 A 28 LEU HDx% H 1 0.81 0.05 A 28 LEU HDy% H 1 0.86 0.05 A 28 LEU HG H 1 1.54 0.05 A 28 LEU CA C 13 57.23 0.20 A 28 LEU CB C 13 41.82 0.20 A 29 THR H H 1 8.06 0.05 A 29 THR HA H 1 4.32 0.05 A 29 THR HB H 1 4.09 0.05 A 29 THR CB C 13 69.30 0.20 A 30 ALA H H 1 8.13 0.05 A 30 ALA HA H 1 4.14 0.05 A 30 ALA CA C 13 54.84 0.20 A 30 ALA CB C 13 18.34 0.20 A 31 ALA H H 1 8.43 0.05 A 31 ALA HA H 1 4.07 0.05 A 31 ALA CA C 13 54.71 0.20 A 31 ALA CB C 13 18.08 0.20 A 32 GLU H H 1 7.89 0.05 A 32 GLU HA H 1 4.17 0.05 A 32 GLU CA C 13 57.75 0.20 A 33 LYS H H 1 7.97 0.05 A 33 LYS HA H 1 4.12 0.05 A 33 LYS HB2 H 1 1.86 0.05 A 33 LYS HB3 H 1 1.90 0.05 A 33 LYS CB C 13 32.24 0.20 A 33 LYS CE C 13 42.18 0.20 A 34 ALA H H 1 8.00 0.05 A 34 ALA HA H 1 4.12 0.05 A 34 ALA CA C 13 54.09 0.20 A 34 ALA CB C 13 18.16 0.20 A 35 ASP H H 1 8.06 0.05 A 35 ASP HA H 1 4.47 0.05 A 35 ASP HB2 H 1 2.77 0.05 A 35 ASP HB3 H 1 2.98 0.05 A 35 ASP CA C 13 61.37 0.20 A 35 ASP CB C 13 39.58 0.20 A 36 GLU H H 1 8.10 0.05 A 36 GLU HA H 1 4.13 0.05 A 36 GLU HG2 H 1 2.47 0.05 A 36 GLU HG3 H 1 2.60 0.05 A 36 GLU CA C 13 58.16 0.20 A 36 GLU CB C 13 28.14 0.20 A 37 LEU H H 1 7.97 0.05 A 37 LEU HA H 1 4.30 0.05 A 37 LEU HB2 H 1 1.73 0.05 A 37 LEU HB3 H 1 1.76 0.05 A 37 LEU HDx% H 1 0.87 0.05 A 37 LEU HDy% H 1 0.89 0.05 A 37 LEU HG H 1 1.66 0.05 A 37 LEU CA C 13 55.38 0.20 A 38 GLY H H 1 8.08 0.05 A 38 GLY HA2 H 1 4.02 0.05 A 38 GLY HA3 H 1 4.02 0.05 A 38 GLY CA C 13 45.75 0.20 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _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 10 THR HA A 10 THR HG21 1.0 1.80 3.40 2 2 A 9 LEU H A 10 THR H 1.0 1.80 3.70 3 3 A 9 LEU H A 9 LEU HA 1.0 1.79 4.05 4 4 A 9 LEU H A 9 LEU HB3 1.0 1.80 3.86 5 5 A 9 LEU H A 9 LEU HG 1.0 1.80 3.92 6 6 A 9 LEU H A 9 LEU HDy% 1.0 1.80 4.84 7 7 A 9 LEU H A 9 LEU HDx% 1.0 1.79 5.13 8 8 A 24 ARG HD3 A 24 ARG HE 1.0 1.79 4.27 9 9 A 24 ARG HE A 24 ARG HD2 1.0 1.79 4.05 10 10 A 24 ARG HE A 24 ARG HG3 1.0 1.79 4.47 11 11 A 24 ARG HE A 24 ARG HG2 1.0 1.79 4.61 12 12 A 24 ARG HE A 24 ARG HB2 1.0 1.80 6.00 13 13 A 24 ARG HE A 24 ARG HB3 1.0 1.79 5.71 14 14 A 4 GLU H A 5 ARG H 1.0 1.79 3.89 15 15 A 4 GLU H A 4 GLU HG3 1.0 1.79 4.15 16 16 A 4 GLU H A 4 GLU HG2 1.0 1.79 4.71 17 17 A 4 GLU H A 4 GLU HBx 1.0 1.79 3.57 18 17 A 4 GLU H A 4 GLU HBy 1.0 1.79 3.57 19 18 A 4 GLU H A 3 GLU H 1.0 1.79 3.97 20 19 A 5 ARG H A 6 ALA H 1.0 1.79 3.75 21 20 A 6 ALA H A 7 GLN H 1.0 1.79 3.57 22 21 A 7 GLN H A 8 LEU H 1.0 1.80 3.78 23 22 A 3 GLU H A 3 GLU HA 1.0 1.79 3.99 24 23 A 3 GLU H A 3 GLU HG2 1.0 1.79 5.47 25 24 A 3 GLU H A 3 GLU HG3 1.0 1.79 5.65 26 25 A 3 GLU H A 3 GLU HB2 1.0 1.79 3.93 27 26 A 3 GLU H A 3 GLU HB3 1.0 1.80 3.66 28 27 A 6 ALA H A 6 ALA HB1 1.0 1.80 3.40 29 28 A 7 GLN H A 7 GLN HA 1.0 1.79 3.53 30 29 A 7 GLN H A 7 GLN HBx 1.0 1.79 3.31 31 29 A 7 GLN H A 7 GLN HBy 1.0 1.79 3.31 32 30 A 6 ALA H A 6 ALA HA 1.0 1.80 3.38 33 31 A 7 GLN H A 7 GLN HG2 1.0 1.80 4.78 34 32 A 26 GLN HG2 A 26 GLN HE22 1.0 1.80 6.00 35 33 A 7 GLN H A 7 GLN HG3 1.0 1.80 4.32 36 34 A 7 GLN HG2 A 7 GLN HE21 1.0 1.80 5.06 37 35 A 7 GLN HG3 A 7 GLN HE21 1.0 1.79 5.13 38 36 A 17 GLU H A 17 GLU HB3 1.0 1.79 4.07 39 37 A 17 GLU H A 17 GLU HB2 1.0 1.79 3.89 40 38 A 8 LEU H A 8 LEU HDx% 1.0 1.80 4.16 41 39 A 8 LEU H A 8 LEU HDy% 1.0 1.79 3.97 42 40 A 8 LEU H A 8 LEU HG 1.0 1.79 4.07 43 41 A 8 LEU H A 8 LEU HB3 1.0 1.79 3.67 44 42 A 14 LYS H A 14 LYS HB2 1.0 1.79 3.67 45 43 A 14 LYS H A 14 LYS HB3 1.0 1.79 4.03 46 44 A 14 LYS H A 14 LYS HG3 1.0 1.80 4.46 47 45 A 16 ASP H A 16 ASP HB2 1.0 1.79 3.81 48 46 A 22 GLU H A 23 GLU H 1.0 1.79 4.31 49 47 A 22 GLU H A 22 GLU HA 1.0 1.79 4.25 50 48 A 22 GLU H A 22 GLU HBx 1.0 1.80 3.30 51 48 A 22 GLU H A 22 GLU HBy 1.0 1.80 3.30 52 49 A 22 GLU H A 22 GLU HGx 1.0 1.80 4.56 53 49 A 22 GLU H A 22 GLU HGy 1.0 1.80 4.56 54 50 A 23 GLU H A 23 GLU HA 1.0 1.79 4.25 55 51 A 23 GLU H A 23 GLU HGx 1.0 1.79 4.37 56 51 A 23 GLU H A 23 GLU HGy 1.0 1.79 4.37 57 52 A 5 ARG HD2 A 5 ARG HE 1.0 1.79 4.01 58 53 A 5 ARG HE A 5 ARG HD3 1.0 1.79 4.13 59 54 A 5 ARG HE A 5 ARG HG2 1.0 1.79 4.63 60 55 A 5 ARG HE A 5 ARG HG3 1.0 1.79 4.51 61 56 A 5 ARG HE A 5 ARG HB2 1.0 1.80 6.00 62 57 A 5 ARG HE A 5 ARG HB3 1.0 1.80 5.74 63 58 A 23 GLU H A 24 ARG H 1.0 1.80 4.02 64 59 A 5 ARG H A 5 ARG HB3 1.0 1.80 3.74 65 60 A 5 ARG H A 5 ARG HB2 1.0 1.80 3.60 66 61 A 24 ARG HB3 A 24 ARG H 1.0 1.80 3.94 67 62 A 24 ARG HB2 A 24 ARG H 1.0 1.80 3.68 68 63 A 5 ARG H A 5 ARG HG3 1.0 1.80 4.14 69 64 A 24 ARG HG3 A 24 ARG H 1.0 1.79 4.37 70 65 A 5 ARG H A 5 ARG HG2 1.0 1.79 4.67 71 66 A 24 ARG HG2 A 24 ARG H 1.0 1.80 4.50 72 67 A 26 GLN HG3 A 26 GLN HE21 1.0 1.80 4.94 73 68 A 7 GLN HG2 A 7 GLN HE22 1.0 1.80 6.00 74 69 A 26 GLN HE22 A 26 GLN HG3 1.0 1.80 6.00 75 70 A 7 GLN HG3 A 7 GLN HE22 1.0 1.80 6.00 76 71 A 26 GLN H A 26 GLN HBx 1.0 1.79 3.65 77 71 A 26 GLN H A 26 GLN HBy 1.0 1.79 3.65 78 72 A 26 GLN HG2 A 26 GLN H 1.0 1.79 4.99 79 73 A 26 GLN HG3 A 26 GLN H 1.0 1.79 4.25 80 74 A 26 GLN H A 26 GLN HA 1.0 1.79 3.71 81 75 A 27 LEU H A 28 LEU H 1.0 1.80 3.88 82 76 A 26 GLN H A 27 LEU H 1.0 1.80 3.92 83 77 A 28 LEU H A 29 THR H 1.0 1.79 4.05 84 78 A 33 LYS H A 33 LYS HB2 1.0 1.79 3.79 85 79 A 33 LYS H A 33 LYS HB3 1.0 1.80 4.00 86 80 A 33 LYS H A 33 LYS HA 1.0 1.79 3.91 87 81 A 33 LYS HB3 A 33 LYS HA 1.0 1.79 3.55 88 82 A 28 LEU H A 28 LEU HA 1.0 1.79 4.09 89 83 A 28 LEU H A 28 LEU HB3 1.0 1.79 3.75 90 84 A 28 LEU H A 28 LEU HG 1.0 1.79 3.89 91 85 A 28 LEU H A 28 LEU HDx% 1.0 1.80 4.78 92 86 A 28 LEU H A 28 LEU HDy% 1.0 1.79 4.81 93 87 A 27 LEU H A 27 LEU HA 1.0 1.79 3.85 94 88 A 27 LEU H A 27 LEU HB3 1.0 1.80 3.52 95 89 A 27 LEU H A 27 LEU HG 1.0 1.79 4.21 96 90 A 27 LEU H A 27 LEU HDx% 1.0 1.80 4.58 97 91 A 27 LEU H A 27 LEU HDy% 1.0 1.80 5.00 98 92 A 8 LEU H A 8 LEU HA 1.0 1.80 3.72 99 93 A 37 LEU H A 37 LEU HDx% 1.0 1.80 4.72 100 94 A 37 LEU H A 37 LEU HA 1.0 1.80 4.02 101 95 A 3 GLU HA A 3 GLU HB2 1.0 1.80 3.62 102 96 A 3 GLU HA A 3 GLU HB3 1.0 1.79 3.65 103 97 A 3 GLU HA A 3 GLU HG2 1.0 1.79 4.15 104 98 A 3 GLU HA A 3 GLU HG3 1.0 1.79 4.47 105 99 A 4 GLU HA A 4 GLU HBx 1.0 1.79 3.57 106 99 A 4 GLU HBy A 4 GLU HA 1.0 1.79 3.57 107 100 A 4 GLU HG2 A 4 GLU HA 1.0 1.80 4.36 108 101 A 4 GLU HG3 A 4 GLU HA 1.0 1.80 3.98 109 102 A 6 ALA HB1 A 6 ALA HA 1.0 1.80 3.56 110 103 A 7 GLN HA A 7 GLN HBx 1.0 1.79 3.69 111 103 A 7 GLN HA A 7 GLN HBy 1.0 1.79 3.69 112 104 A 7 GLN HA A 7 GLN HG2 1.0 1.79 4.27 113 105 A 7 GLN HA A 7 GLN HG3 1.0 1.80 4.96 114 106 A 8 LEU HB3 A 8 LEU HA 1.0 1.80 3.92 115 107 A 8 LEU HG A 8 LEU HA 1.0 1.79 4.41 116 108 A 8 LEU HDx% A 8 LEU HA 1.0 1.79 3.67 117 109 A 8 LEU HDy% A 8 LEU HA 1.0 1.79 3.51 118 110 A 9 LEU HA A 9 LEU HDx% 1.0 1.79 3.53 119 111 A 9 LEU HA A 9 LEU HDy% 1.0 1.79 3.61 120 112 A 9 LEU HA A 9 LEU HG 1.0 1.80 4.60 121 113 A 9 LEU HA A 9 LEU HB3 1.0 1.79 3.91 122 114 A 10 THR HA A 10 THR H 1.0 1.80 3.54 123 115 A 22 GLU HA A 22 GLU HBx 1.0 1.79 3.33 124 115 A 22 GLU HA A 22 GLU HBy 1.0 1.79 3.33 125 116 A 22 GLU HA A 22 GLU HGx 1.0 1.79 4.41 126 116 A 22 GLU HA A 22 GLU HGy 1.0 1.79 4.41 127 117 A 23 GLU HA A 23 GLU HGx 1.0 1.80 4.34 128 117 A 23 GLU HA A 23 GLU HGy 1.0 1.80 4.34 129 118 A 26 GLN HA A 26 GLN HBx 1.0 1.79 3.59 130 118 A 26 GLN HBy A 26 GLN HA 1.0 1.79 3.59 131 119 A 26 GLN HG2 A 26 GLN HA 1.0 1.79 4.03 132 120 A 26 GLN HG3 A 26 GLN HA 1.0 1.80 4.80 133 121 A 27 LEU HA A 27 LEU HDy% 1.0 1.79 3.59 134 122 A 27 LEU HA A 27 LEU HDx% 1.0 1.79 3.49 135 123 A 27 LEU HA A 27 LEU HG 1.0 1.80 4.82 136 124 A 27 LEU HA A 27 LEU HB3 1.0 1.80 3.94 137 125 A 28 LEU HA A 28 LEU HDx% 1.0 1.79 3.53 138 126 A 28 LEU HA A 28 LEU HDy% 1.0 1.80 3.64 139 127 A 28 LEU HA A 28 LEU HB3 1.0 1.80 3.86 140 128 A 28 LEU HA A 28 LEU HG 1.0 1.80 4.14 141 129 A 29 THR H A 29 THR HG21 1.0 1.79 4.13 142 130 A 29 THR H A 29 THR HB 1.0 1.79 3.81 143 131 A 29 THR H A 29 THR HA 1.0 1.80 3.68 144 132 A 29 THR HG21 A 29 THR HA 1.0 1.79 3.31 145 133 A 29 THR HG21 A 29 THR HB 1.0 1.79 3.47 146 134 A 1 SER HA A 1 SER HBx 1.0 1.80 3.28 147 134 A 1 SER HA A 1 SER HBy 1.0 1.80 3.28 148 135 A 20 CYS H A 20 CYS HA 1.0 1.79 4.21 149 136 A 20 CYS H A 20 CYS HB2 1.0 1.79 3.81 150 137 A 20 CYS H A 20 CYS HB3 1.0 1.79 4.21 151 138 A 2 PRO HB2 A 2 PRO HD2 1.0 1.79 4.67 152 139 A 2 PRO HD2 A 2 PRO HB3 1.0 1.80 5.48 153 140 A 2 PRO HD2 A 2 PRO HG3 1.0 1.80 3.96 154 141 A 2 PRO HD2 A 2 PRO HG2 1.0 1.79 3.73 155 142 A 2 PRO HB2 A 2 PRO HD3 1.0 1.80 4.90 156 143 A 2 PRO HG3 A 2 PRO HD3 1.0 1.80 3.58 157 144 A 2 PRO HG2 A 2 PRO HD3 1.0 1.80 4.22 158 145 A 2 PRO HB3 A 2 PRO HD3 1.0 1.80 4.94 159 146 A 21 PRO HG2 A 21 PRO HD2 1.0 1.79 3.87 160 147 A 21 PRO HD2 A 21 PRO HG3 1.0 1.79 3.73 161 148 A 21 PRO HD2 A 21 PRO HB2 1.0 1.80 4.54 162 149 A 21 PRO HD2 A 21 PRO HB3 1.0 1.79 5.01 163 150 A 21 PRO HB2 A 21 PRO HD3 1.0 1.80 5.20 164 151 A 21 PRO HG3 A 21 PRO HD3 1.0 1.80 3.68 165 152 A 21 PRO HG2 A 21 PRO HD3 1.0 1.80 4.74 166 153 A 21 PRO HB3 A 21 PRO HD3 1.0 1.80 5.10 167 154 A 12 ALA H A 12 ALA HA 1.0 1.80 3.98 168 155 A 31 ALA H A 31 ALA HA 1.0 1.80 4.02 169 156 A 12 ALA H A 12 ALA HB1 1.0 1.80 3.52 170 157 A 31 ALA H A 31 ALA HB1 1.0 1.80 3.52 171 158 A 12 ALA H A 13 GLU H 1.0 1.80 4.34 172 159 A 13 GLU H A 13 GLU HA 1.0 1.79 3.63 173 160 A 13 GLU H A 13 GLU HGx 1.0 1.79 4.15 174 160 A 13 GLU H A 13 GLU HGy 1.0 1.79 4.15 175 161 A 12 ALA H A 11 ALA H 1.0 1.79 4.09 176 162 A 11 ALA H A 11 ALA HB1 1.0 1.80 3.34 177 163 A 32 GLU H A 32 GLU HGx 1.0 1.80 4.94 178 163 A 32 GLU H A 32 GLU HGy 1.0 1.80 4.94 179 164 A 32 GLU H A 32 GLU HBx 1.0 1.79 3.59 180 164 A 32 GLU H A 32 GLU HBy 1.0 1.79 3.59 181 165 A 31 ALA H A 30 ALA H 1.0 1.79 4.17 182 166 A 30 ALA H A 30 ALA HB1 1.0 1.79 3.47 183 167 A 16 ASP H A 16 ASP HA 1.0 1.80 3.72 184 168 A 18 LEU H A 18 LEU HG 1.0 1.79 4.35 185 169 A 37 LEU H A 37 LEU HG 1.0 1.80 4.14 186 170 A 18 LEU H A 18 LEU HB2 1.0 1.80 3.70 187 171 A 18 LEU H A 18 LEU HB3 1.0 1.80 3.56 188 172 A 37 LEU H A 37 LEU HB2 1.0 1.79 3.79 189 173 A 37 LEU H A 37 LEU HB3 1.0 1.80 3.56 190 174 A 1 SER HA A 2 PRO HD2 1.0 1.79 3.39 191 175 A 20 CYS HA A 21 PRO HD2 1.0 1.79 3.33 192 176 A 1 SER HA A 2 PRO HD3 1.0 1.80 3.46 193 177 A 3 GLU H A 1 SER HA 1.0 1.80 6.00 194 178 A 3 GLU H A 1 SER HBx 1.0 1.79 5.19 195 178 A 3 GLU H A 1 SER HBy 1.0 1.79 5.19 196 179 A 2 PRO HB3 A 2 PRO HA 1.0 1.79 3.69 197 180 A 21 PRO HB3 A 21 PRO HA 1.0 1.79 3.43 198 181 A 3 GLU H A 2 PRO HA 1.0 1.80 4.58 199 182 A 22 GLU H A 21 PRO HA 1.0 1.79 4.29 200 183 A 3 GLU H A 2 PRO HD3 1.0 1.80 6.00 201 184 A 3 GLU H A 2 PRO HD2 1.0 1.80 4.42 202 185 A 22 GLU H A 21 PRO HD2 1.0 1.80 5.00 203 186 A 3 GLU H A 2 PRO HB2 1.0 1.80 4.42 204 187 A 3 GLU H A 2 PRO HG2 1.0 1.79 4.53 205 188 A 22 GLU H A 21 PRO HB2 1.0 1.79 4.77 206 189 A 27 LEU HDx% A 12 ALA H 1.0 1.80 5.02 207 190 A 8 LEU HDx% A 31 ALA H 1.0 1.79 5.03 208 191 A 12 ALA H A 11 ALA HB1 1.0 1.79 3.99 209 192 A 11 ALA H A 11 ALA HA 1.0 1.79 4.01 210 193 A 12 ALA H A 11 ALA HA 1.0 1.79 4.79 211 194 A 9 LEU HA A 12 ALA H 1.0 1.79 4.75 212 195 A 30 ALA H A 30 ALA HA 1.0 1.80 3.66 213 196 A 28 LEU HA A 31 ALA H 1.0 1.79 4.67 214 197 A 31 ALA H A 30 ALA HA 1.0 1.80 4.86 215 198 A 31 ALA H A 30 ALA HB1 1.0 1.79 3.99 216 199 A 9 LEU H A 6 ALA HA 1.0 1.80 4.34 217 200 A 9 LEU H A 8 LEU HA 1.0 1.80 4.50 218 201 A 28 LEU H A 28 LEU HB2 1.0 1.79 4.13 219 202 A 9 LEU H A 9 LEU HB2 1.0 1.79 4.11 220 203 A 8 LEU H A 8 LEU HB2 1.0 1.80 3.88 221 204 A 27 LEU H A 27 LEU HB2 1.0 1.80 3.62 222 205 A 28 LEU H A 27 LEU HB3 1.0 1.80 4.08 223 206 A 9 LEU H A 8 LEU HB3 1.0 1.79 3.95 224 207 A 9 LEU H A 8 LEU HB2 1.0 1.79 4.67 225 208 A 28 LEU H A 27 LEU HB2 1.0 1.80 4.52 226 209 A 9 LEU H A 6 ALA HB1 1.0 1.80 4.78 227 210 A 28 LEU H A 25 ALA HB1 1.0 1.80 4.78 228 211 A 28 LEU H A 25 ALA HA 1.0 1.80 4.90 229 212 A 28 LEU H A 27 LEU HA 1.0 1.80 4.14 230 213 A 29 THR HA A 30 ALA H 1.0 1.80 3.74 231 214 A 27 LEU H A 26 GLN HBx 1.0 1.80 3.72 232 214 A 26 GLN HBy A 27 LEU H 1.0 1.80 3.72 233 215 A 5 ARG H A 4 GLU HBx 1.0 1.79 3.83 234 215 A 5 ARG H A 4 GLU HBy 1.0 1.79 3.83 235 216 A 6 ALA H A 5 ARG HB3 1.0 1.80 3.88 236 217 A 24 ARG HB3 A 25 ALA H 1.0 1.80 4.06 237 218 A 25 ALA HB1 A 25 ALA H 1.0 1.79 3.51 238 219 A 25 ALA HA A 25 ALA H 1.0 1.80 3.94 239 220 A 26 GLN H A 25 ALA HB1 1.0 1.79 3.75 240 221 A 12 ALA HB1 A 13 GLU H 1.0 1.79 3.69 241 222 A 31 ALA HB1 A 32 GLU H 1.0 1.80 3.82 242 223 A 34 ALA H A 34 ALA HB1 1.0 1.79 3.57 243 224 A 15 ALA H A 15 ALA HB1 1.0 1.80 3.80 244 225 A 14 LYS HB2 A 15 ALA H 1.0 1.80 4.56 245 226 A 33 LYS HB2 A 34 ALA H 1.0 1.80 4.56 246 227 A 33 LYS HB3 A 34 ALA H 1.0 1.80 4.72 247 228 A 14 LYS HB3 A 15 ALA H 1.0 1.80 4.76 248 229 A 34 ALA H A 34 ALA HA 1.0 1.79 3.53 249 230 A 15 ALA H A 15 ALA HA 1.0 1.80 3.82 250 231 A 6 ALA H A 5 ARG HB2 1.0 1.80 3.82 251 232 A 34 ALA HB1 A 35 ASP H 1.0 1.79 3.49 252 233 A 16 ASP H A 15 ALA HB1 1.0 1.80 3.62 253 234 A 17 GLU H A 17 GLU HG2 1.0 1.80 4.62 254 235 A 17 GLU H A 17 GLU HG3 1.0 1.79 4.07 255 236 A 36 GLU H A 36 GLU HG2 1.0 1.80 4.74 256 237 A 36 GLU H A 36 GLU HG3 1.0 1.80 4.12 257 238 A 35 ASP H A 35 ASP HB2 1.0 1.80 3.62 258 239 A 35 ASP H A 35 ASP HB3 1.0 1.79 3.75 259 240 A 36 GLU H A 35 ASP HB2 1.0 1.80 4.66 260 241 A 36 GLU H A 35 ASP HB3 1.0 1.79 4.05 261 242 A 35 ASP H A 35 ASP HA 1.0 1.80 3.90 262 243 A 36 GLU H A 35 ASP HA 1.0 1.80 4.56 263 244 A 36 GLU H A 36 GLU HBx 1.0 1.80 3.44 264 244 A 36 GLU H A 36 GLU HBy 1.0 1.80 3.44 265 245 A 16 ASP H A 16 ASP HB3 1.0 1.79 3.67 266 246 A 17 GLU H A 16 ASP HB2 1.0 1.80 3.70 267 247 A 17 GLU H A 16 ASP HB3 1.0 1.80 3.70 268 248 A 16 ASP HA A 18 LEU H 1.0 1.80 6.00 269 249 A 37 LEU H A 36 GLU HBx 1.0 1.80 3.82 270 249 A 37 LEU H A 36 GLU HBy 1.0 1.80 3.82 271 250 A 17 GLU HB2 A 18 LEU H 1.0 1.80 4.12 272 251 A 17 GLU HB3 A 18 LEU H 1.0 1.79 4.31 273 252 A 17 GLU H A 17 GLU HA 1.0 1.79 3.49 274 253 A 18 LEU H A 17 GLU HA 1.0 1.79 3.77 275 254 A 31 ALA HA A 34 ALA H 1.0 1.79 4.67 276 255 A 12 ALA HA A 15 ALA H 1.0 1.80 4.74 277 256 A 31 ALA HA A 32 GLU H 1.0 1.79 4.15 278 257 A 12 ALA HA A 13 GLU H 1.0 1.79 4.67 279 258 A 29 THR HB A 30 ALA H 1.0 1.79 4.21 280 259 A 4 GLU H A 1 SER HBx 1.0 1.80 4.84 281 259 A 4 GLU H A 1 SER HBy 1.0 1.80 4.84 282 260 A 4 GLU H A 4 GLU HA 1.0 1.79 4.05 283 261 A 2 PRO HG2 A 2 PRO HA 1.0 1.80 4.92 284 262 A 2 PRO HG3 A 2 PRO HA 1.0 1.79 4.89 285 263 A 2 PRO HB2 A 2 PRO HA 1.0 1.80 4.46 286 264 A 5 ARG H A 5 ARG HA 1.0 1.79 3.87 287 265 A 5 ARG HG2 A 5 ARG HA 1.0 1.80 4.94 288 266 A 5 ARG HG3 A 5 ARG HA 1.0 1.79 4.15 289 267 A 5 ARG HB2 A 5 ARG HA 1.0 1.80 3.58 290 268 A 5 ARG HB3 A 5 ARG HA 1.0 1.80 3.90 291 269 A 8 LEU HA A 8 LEU HB2 1.0 1.80 3.90 292 270 A 9 LEU HA A 9 LEU HB2 1.0 1.79 4.03 293 271 A 10 THR H A 10 THR HB 1.0 1.79 3.85 294 272 A 10 THR HG21 A 10 THR H 1.0 1.80 3.98 295 273 A 10 THR HG21 A 10 THR HB 1.0 1.79 3.51 296 274 A 11 ALA HB1 A 11 ALA HA 1.0 1.79 3.59 297 275 A 12 ALA HA A 12 ALA HB1 1.0 1.80 3.46 298 276 A 13 GLU H A 13 GLU HBx 1.0 1.79 3.67 299 276 A 13 GLU H A 13 GLU HBy 1.0 1.79 3.67 300 277 A 13 GLU HA A 13 GLU HGx 1.0 1.80 4.44 301 277 A 13 GLU HA A 13 GLU HGy 1.0 1.80 4.44 302 278 A 13 GLU HA A 13 GLU HBx 1.0 1.80 3.38 303 278 A 13 GLU HA A 13 GLU HBy 1.0 1.80 3.38 304 279 A 14 LYS HA A 14 LYS HEx 1.0 1.79 4.65 305 279 A 14 LYS HA A 14 LYS HEy 1.0 1.79 4.65 306 280 A 14 LYS HB2 A 14 LYS HA 1.0 1.79 3.73 307 281 A 14 LYS HB3 A 14 LYS HA 1.0 1.79 3.77 308 282 A 14 LYS HA A 14 LYS HDx 1.0 1.79 4.69 309 282 A 14 LYS HA A 14 LYS HDy 1.0 1.79 4.69 310 283 A 14 LYS HG3 A 14 LYS HA 1.0 1.79 4.95 311 284 A 14 LYS H A 14 LYS HA 1.0 1.80 3.62 312 285 A 20 CYS H A 18 LEU HDx% 1.0 1.80 5.04 313 286 A 20 CYS H A 18 LEU HDy% 1.0 1.80 5.56 314 287 A 16 ASP HB2 A 16 ASP HA 1.0 1.79 5.03 315 288 A 16 ASP HA A 16 ASP HB3 1.0 1.79 5.03 316 289 A 17 GLU HG3 A 17 GLU HA 1.0 1.80 4.38 317 290 A 17 GLU HG2 A 17 GLU HA 1.0 1.79 4.35 318 291 A 17 GLU HB2 A 17 GLU HA 1.0 1.79 3.83 319 292 A 17 GLU HB3 A 17 GLU HA 1.0 1.80 3.66 320 293 A 18 LEU H A 18 LEU HDx% 1.0 1.79 4.71 321 294 A 18 LEU H A 18 LEU HDy% 1.0 1.80 4.86 322 295 A 18 LEU H A 18 LEU HA 1.0 1.80 3.84 323 296 A 18 LEU HDx% A 18 LEU HA 1.0 1.79 3.57 324 297 A 18 LEU HDy% A 18 LEU HA 1.0 1.79 3.51 325 298 A 18 LEU HG A 18 LEU HA 1.0 1.80 3.88 326 299 A 18 LEU HB2 A 18 LEU HA 1.0 1.79 5.21 327 300 A 18 LEU HB3 A 18 LEU HA 1.0 1.79 4.05 328 301 A 21 PRO HB2 A 21 PRO HA 1.0 1.80 4.04 329 302 A 21 PRO HG3 A 21 PRO HA 1.0 1.80 4.54 330 303 A 21 PRO HG2 A 21 PRO HA 1.0 1.80 4.84 331 304 A 24 ARG H A 24 ARG HA 1.0 1.80 3.42 332 305 A 24 ARG HG2 A 24 ARG HA 1.0 1.80 4.86 333 306 A 24 ARG HG3 A 24 ARG HA 1.0 1.79 4.13 334 307 A 24 ARG HB2 A 24 ARG HA 1.0 1.79 3.53 335 308 A 24 ARG HB3 A 24 ARG HA 1.0 1.80 3.96 336 309 A 25 ALA HB1 A 25 ALA HA 1.0 1.79 3.79 337 310 A 26 GLN HG2 A 26 GLN HE21 1.0 1.80 5.12 338 311 A 27 LEU HA A 27 LEU HB2 1.0 1.79 4.03 339 312 A 28 LEU HA A 28 LEU HB2 1.0 1.79 3.87 340 313 A 30 ALA HB1 A 30 ALA HA 1.0 1.80 3.86 341 314 A 31 ALA HA A 31 ALA HB1 1.0 1.79 3.67 342 315 A 31 ALA H A 32 GLU H 1.0 1.79 4.41 343 316 A 26 GLN HA A 27 LEU H 1.0 1.79 3.87 344 317 A 27 LEU H A 24 ARG HA 1.0 1.80 4.08 345 318 A 4 GLU H A 3 GLU HA 1.0 1.80 4.02 346 319 A 33 LYS H A 33 LYS HGx 1.0 1.79 4.39 347 319 A 33 LYS H A 33 LYS HGy 1.0 1.79 4.39 348 320 A 33 LYS HB2 A 33 LYS HA 1.0 1.80 3.78 349 321 A 33 LYS HA A 33 LYS HGx 1.0 1.80 4.32 350 321 A 33 LYS HA A 33 LYS HGy 1.0 1.80 4.32 351 322 A 35 ASP HB2 A 35 ASP HA 1.0 1.80 5.02 352 323 A 35 ASP HB3 A 35 ASP HA 1.0 1.80 4.78 353 324 A 37 LEU HDx% A 37 LEU HA 1.0 1.79 3.49 354 325 A 37 LEU HA A 37 LEU HDy% 1.0 1.79 3.51 355 326 A 37 LEU HA A 37 LEU HG 1.0 1.80 3.86 356 327 A 37 LEU HA A 37 LEU HB2 1.0 1.80 4.64 357 328 A 37 LEU HA A 37 LEU HB3 1.0 1.79 4.53 358 329 A 12 ALA HB1 A 24 ARG HA 1.0 1.80 4.98 359 330 A 31 ALA HB1 A 5 ARG HA 1.0 1.80 4.88 360 331 A 15 ALA HB1 A 24 ARG HA 1.0 1.80 3.98 361 332 A 34 ALA HB1 A 5 ARG HA 1.0 1.79 3.95 362 333 A 34 ALA HB1 A 34 ALA HA 1.0 1.79 3.65 363 334 A 15 ALA HB1 A 15 ALA HA 1.0 1.79 3.61 364 335 A 10 THR HG21 A 7 GLN HA 1.0 1.79 4.13 365 336 A 26 GLN HA A 29 THR HG21 1.0 1.79 4.15 366 337 A 37 LEU HB3 A 34 ALA HA 1.0 1.79 4.35 367 338 A 37 LEU HB2 A 34 ALA HA 1.0 1.80 4.22 368 339 A 18 LEU HB3 A 15 ALA HA 1.0 1.79 4.09 369 340 A 24 ARG HB3 A 21 PRO HA 1.0 1.80 3.92 370 341 A 5 ARG HB3 A 2 PRO HA 1.0 1.79 4.09 371 342 A 9 LEU HA A 12 ALA HB1 1.0 1.79 3.79 372 343 A 22 GLU HA A 25 ALA HB1 1.0 1.79 3.87 373 344 A 3 GLU HA A 6 ALA HB1 1.0 1.80 4.46 374 345 A 28 LEU HA A 31 ALA HB1 1.0 1.80 4.26 375 346 A 27 LEU HA A 30 ALA HB1 1.0 1.80 3.72 376 347 A 8 LEU HA A 11 ALA HB1 1.0 1.80 3.82 377 348 A 24 ARG HB2 A 21 PRO HA 1.0 1.80 4.66 378 349 A 5 ARG HB2 A 2 PRO HA 1.0 1.80 4.72 379 350 A 31 ALA HA A 34 ALA HB1 1.0 1.80 3.82 380 351 A 12 ALA HA A 15 ALA HB1 1.0 1.80 3.80 381 352 A 9 LEU HB3 A 31 ALA HA 1.0 1.79 5.55 382 353 A 12 ALA HA A 28 LEU HB2 1.0 1.79 5.55 383 354 A 9 LEU HG A 31 ALA HA 1.0 1.80 5.54 384 355 A 31 ALA HA A 9 LEU HB2 1.0 1.79 5.01 385 356 A 28 LEU HG A 12 ALA HA 1.0 1.79 4.23 386 357 A 28 LEU HB3 A 12 ALA HA 1.0 1.80 5.80 387 358 A 16 ASP HB2 A 13 GLU HA 1.0 1.80 4.10 388 359 A 13 GLU HA A 16 ASP HB3 1.0 1.79 3.91 389 360 A 32 GLU HA A 32 GLU HGx 1.0 1.79 3.85 390 360 A 32 GLU HGy A 32 GLU HA 1.0 1.79 3.85 391 361 A 32 GLU H A 32 GLU HA 1.0 1.80 4.24 392 362 A 32 GLU HA A 32 GLU HBx 1.0 1.80 3.30 393 362 A 32 GLU HBy A 32 GLU HA 1.0 1.80 3.30 394 363 A 35 ASP HB2 A 32 GLU HA 1.0 1.80 4.14 395 364 A 35 ASP HB3 A 32 GLU HA 1.0 1.79 4.03 396 365 A 10 THR HB A 13 GLU HBx 1.0 1.80 4.10 397 365 A 10 THR HB A 13 GLU HBy 1.0 1.80 4.10 398 366 A 36 GLU HG3 A 36 GLU HA 1.0 1.80 4.52 399 367 A 36 GLU HG2 A 36 GLU HA 1.0 1.80 5.18 400 368 A 36 GLU HA A 36 GLU HBx 1.0 1.79 3.65 401 368 A 36 GLU HBy A 36 GLU HA 1.0 1.79 3.65 402 369 A 36 GLU H A 36 GLU HA 1.0 1.80 3.90 403 370 A 14 LYS HB2 A 11 ALA HA 1.0 1.80 3.50 404 371 A 14 LYS HB3 A 11 ALA HA 1.0 1.79 3.83 405 372 A 17 GLU HB2 A 14 LYS HA 1.0 1.80 3.70 406 373 A 17 GLU HB3 A 14 LYS HA 1.0 1.80 3.82 407 374 A 4 GLU HA A 7 GLN HBx 1.0 1.79 3.65 408 374 A 7 GLN HBy A 4 GLU HA 1.0 1.79 3.65 409 375 A 23 GLU HA A 26 GLN HBx 1.0 1.79 3.59 410 375 A 23 GLU HA A 26 GLN HBy 1.0 1.79 3.59 411 376 A 33 LYS HB2 A 30 ALA HA 1.0 1.80 3.86 412 377 A 33 LYS HB3 A 30 ALA HA 1.0 1.80 3.80 413 378 A 33 LYS HA A 36 GLU HBx 1.0 1.79 3.81 414 378 A 33 LYS HA A 36 GLU HBy 1.0 1.79 3.81 415 379 A 21 PRO HA A 15 ALA HB1 1.0 1.80 5.92 416 380 A 2 PRO HA A 34 ALA HB1 1.0 1.80 5.66 417 381 A 8 LEU HDx% A 31 ALA HA 1.0 1.79 3.73 418 382 A 8 LEU HDy% A 31 ALA HA 1.0 1.80 4.80 419 383 A 27 LEU HDy% A 12 ALA HA 1.0 1.79 5.03 420 384 A 27 LEU HDx% A 12 ALA HA 1.0 1.79 3.63 421 385 A 9 LEU HDx% A 31 ALA HA 1.0 1.80 3.78 422 386 A 9 LEU HDy% A 31 ALA HA 1.0 1.80 5.52 423 387 A 28 LEU HDx% A 12 ALA HA 1.0 1.80 4.36 424 388 A 28 LEU HDy% A 12 ALA HA 1.0 1.79 5.03 425 389 A 8 LEU HDx% A 30 ALA HA 1.0 1.80 4.06 426 390 A 8 LEU HDy% A 30 ALA HA 1.0 1.80 3.64 427 391 A 27 LEU HDx% A 11 ALA HA 1.0 1.79 4.03 428 392 A 27 LEU HDy% A 11 ALA HA 1.0 1.79 3.71 429 393 A 1 SER HBx A 4 GLU HBx 1.0 1.80 3.60 430 393 A 1 SER HBy A 4 GLU HBx 1.0 1.80 3.60 431 393 A 4 GLU HBy A 1 SER HBx 1.0 1.80 3.60 432 393 A 4 GLU HBy A 1 SER HBy 1.0 1.80 3.60 433 394 A 34 ALA HB1 A 4 GLU HBx 1.0 1.80 3.92 434 394 A 4 GLU HBy A 34 ALA HB1 1.0 1.80 3.92 435 395 A 15 ALA HB1 A 23 GLU HBx 1.0 1.79 3.91 436 395 A 15 ALA HB1 A 23 GLU HBy 1.0 1.79 3.91 437 396 A 23 GLU H A 23 GLU HBx 1.0 1.79 3.51 438 396 A 23 GLU H A 23 GLU HBy 1.0 1.79 3.51 439 397 A 23 GLU HA A 23 GLU HBx 1.0 1.80 3.64 440 397 A 23 GLU HA A 23 GLU HBy 1.0 1.80 3.64 441 398 A 5 ARG H A 2 PRO HA 1.0 1.79 4.07 442 399 A 6 ALA H A 2 PRO HA 1.0 1.80 4.44 443 400 A 7 GLN H A 3 GLU HA 1.0 1.79 4.45 444 401 A 8 LEU H A 4 GLU HA 1.0 1.79 4.37 445 402 A 8 LEU H A 5 ARG HA 1.0 1.79 4.21 446 403 A 8 LEU HA A 12 ALA H 1.0 1.80 4.88 447 404 A 27 LEU HA A 31 ALA H 1.0 1.80 4.86 448 405 A 9 LEU HA A 13 GLU H 1.0 1.79 4.99 449 406 A 11 ALA HA A 15 ALA H 1.0 1.79 4.69 450 407 A 16 ASP H A 12 ALA HA 1.0 1.79 4.89 451 408 A 21 PRO HA A 25 ALA H 1.0 1.80 4.82 452 409 A 23 GLU HA A 27 LEU H 1.0 1.79 4.67 453 410 A 29 THR H A 25 ALA HA 1.0 1.80 4.66 454 411 A 26 GLN HA A 30 ALA H 1.0 1.79 4.49 455 412 A 28 LEU HA A 32 GLU H 1.0 1.80 5.04 456 413 A 30 ALA HA A 34 ALA H 1.0 1.80 4.56 457 414 A 36 GLU H A 32 GLU HA 1.0 1.80 4.48 458 415 A 33 LYS HA A 37 LEU H 1.0 1.80 4.50 459 416 A 17 GLU H A 13 GLU HA 1.0 1.80 4.36 460 417 A 4 GLU H A 3 GLU HB2 1.0 1.80 4.64 461 418 A 4 GLU H A 3 GLU HB3 1.0 1.80 4.32 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _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 1 SER C A 2 PRO N A 2 PRO CA A 2 PRO C 1.0 -63.06 -50.26 PHI 2 2 A 2 PRO N A 2 PRO CA A 2 PRO C A 3 GLU N 1.0 -43.92 -29.40 PSI 3 3 A 2 PRO C A 3 GLU N A 3 GLU CA A 3 GLU C 1.0 -69.38 -59.90 PHI 4 4 A 3 GLU N A 3 GLU CA A 3 GLU C A 4 GLU N 1.0 -43.84 -30.72 PSI 5 5 A 3 GLU C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -73.14 -66.62 PHI 6 6 A 4 GLU N A 4 GLU CA A 4 GLU C A 5 ARG N 1.0 -43.48 -33.98 PSI 7 7 A 4 GLU C A 5 ARG N A 5 ARG CA A 5 ARG C 1.0 -70.17 -63.31 PHI 8 8 A 5 ARG N A 5 ARG CA A 5 ARG C A 6 ALA N 1.0 -45.81 -36.87 PSI 9 9 A 5 ARG C A 6 ALA N A 6 ALA CA A 6 ALA C 1.0 -68.45 -61.65 PHI 10 10 A 6 ALA N A 6 ALA CA A 6 ALA C A 7 GLN N 1.0 -42.35 -36.17 PSI 11 11 A 6 ALA C A 7 GLN N A 7 GLN CA A 7 GLN C 1.0 -69.53 -63.91 PHI 12 12 A 7 GLN N A 7 GLN CA A 7 GLN C A 8 LEU N 1.0 -43.34 -36.18 PSI 13 13 A 7 GLN C A 8 LEU N A 8 LEU CA A 8 LEU C 1.0 -69.17 -64.05 PHI 14 14 A 8 LEU N A 8 LEU CA A 8 LEU C A 9 LEU N 1.0 -45.90 -36.76 PSI 15 15 A 8 LEU C A 9 LEU N A 9 LEU CA A 9 LEU C 1.0 -68.67 -62.91 PHI 16 16 A 9 LEU N A 9 LEU CA A 9 LEU C A 10 THR N 1.0 -43.85 -36.25 PSI 17 17 A 9 LEU C A 10 THR N A 10 THR CA A 10 THR C 1.0 -71.95 -64.07 PHI 18 18 A 10 THR N A 10 THR CA A 10 THR C A 11 ALA N 1.0 -42.61 -33.31 PSI 19 19 A 10 THR C A 11 ALA N A 11 ALA CA A 11 ALA C 1.0 -69.98 -62.98 PHI 20 20 A 11 ALA N A 11 ALA CA A 11 ALA C A 12 ALA N 1.0 -45.40 -38.16 PSI 21 21 A 11 ALA C A 12 ALA N A 12 ALA CA A 12 ALA C 1.0 -69.01 -62.89 PHI 22 22 A 12 ALA N A 12 ALA CA A 12 ALA C A 13 GLU N 1.0 -43.81 -35.75 PSI 23 23 A 12 ALA C A 13 GLU N A 13 GLU CA A 13 GLU C 1.0 -69.71 -64.93 PHI 24 24 A 13 GLU N A 13 GLU CA A 13 GLU C A 14 LYS N 1.0 -40.45 -33.39 PSI 25 25 A 13 GLU C A 14 LYS N A 14 LYS CA A 14 LYS C 1.0 -70.88 -64.88 PHI 26 26 A 14 LYS N A 14 LYS CA A 14 LYS C A 15 ALA N 1.0 -44.28 -34.00 PSI 27 27 A 14 LYS C A 15 ALA N A 15 ALA CA A 15 ALA C 1.0 -67.63 -61.89 PHI 28 28 A 15 ALA N A 15 ALA CA A 15 ALA C A 16 ASP N 1.0 -45.33 -35.35 PSI 29 29 A 15 ALA C A 16 ASP N A 16 ASP CA A 16 ASP C 1.0 -68.22 -59.86 PHI 30 30 A 16 ASP N A 16 ASP CA A 16 ASP C A 17 GLU N 1.0 -45.67 -37.15 PSI 31 31 A 16 ASP C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -71.49 -62.55 PHI 32 32 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 LEU N 1.0 -34.21 -19.63 PSI 33 33 A 17 GLU C A 18 LEU N A 18 LEU CA A 18 LEU C 1.0 -93.64 -82.90 PHI 34 34 A 18 LEU N A 18 LEU CA A 18 LEU C A 19 GLY N 1.0 -16.01 -1.05 PSI 35 35 A 20 CYS C A 21 PRO N A 21 PRO CA A 21 PRO C 1.0 -64.70 -51.42 PHI 36 36 A 21 PRO N A 21 PRO CA A 21 PRO C A 22 GLU N 1.0 -41.68 -29.94 PSI 37 37 A 21 PRO C A 22 GLU N A 22 GLU CA A 22 GLU C 1.0 -71.50 -61.04 PHI 38 38 A 22 GLU N A 22 GLU CA A 22 GLU C A 23 GLU N 1.0 -42.85 -29.61 PSI 39 39 A 22 GLU C A 23 GLU N A 23 GLU CA A 23 GLU C 1.0 -74.31 -65.69 PHI 40 40 A 23 GLU N A 23 GLU CA A 23 GLU C A 24 ARG N 1.0 -42.81 -35.07 PSI 41 41 A 23 GLU C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -68.32 -61.06 PHI 42 42 A 24 ARG N A 24 ARG CA A 24 ARG C A 25 ALA N 1.0 -43.50 -30.04 PSI 43 43 A 24 ARG C A 25 ALA N A 25 ALA CA A 25 ALA C 1.0 -71.19 -59.27 PHI 44 44 A 25 ALA N A 25 ALA CA A 25 ALA C A 26 GLN N 1.0 -42.96 -30.72 PSI 45 45 A 25 ALA C A 26 GLN N A 26 GLN CA A 26 GLN C 1.0 -73.88 -63.44 PHI 46 46 A 26 GLN N A 26 GLN CA A 26 GLN C A 27 LEU N 1.0 -40.90 -29.86 PSI 47 47 A 26 GLN C A 27 LEU N A 27 LEU CA A 27 LEU C 1.0 -72.97 -63.69 PHI 48 48 A 27 LEU N A 27 LEU CA A 27 LEU C A 28 LEU N 1.0 -42.93 -31.91 PSI 49 49 A 27 LEU C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -69.70 -61.64 PHI 50 50 A 28 LEU N A 28 LEU CA A 28 LEU C A 29 THR N 1.0 -43.42 -32.60 PSI 51 51 A 28 LEU C A 29 THR N A 29 THR CA A 29 THR C 1.0 -70.90 -64.04 PHI 52 52 A 29 THR N A 29 THR CA A 29 THR C A 30 ALA N 1.0 -43.71 -32.81 PSI 53 53 A 29 THR C A 30 ALA N A 30 ALA CA A 30 ALA C 1.0 -70.61 -63.35 PHI 54 54 A 30 ALA N A 30 ALA CA A 30 ALA C A 31 ALA N 1.0 -44.51 -36.37 PSI 55 55 A 30 ALA C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -68.51 -61.05 PHI 56 56 A 31 ALA N A 31 ALA CA A 31 ALA C A 32 GLU N 1.0 -42.75 -35.69 PSI 57 57 A 31 ALA C A 32 GLU N A 32 GLU CA A 32 GLU C 1.0 -71.50 -65.34 PHI 58 58 A 32 GLU N A 32 GLU CA A 32 GLU C A 33 LYS N 1.0 -39.34 -33.22 PSI 59 59 A 33 LYS C A 34 ALA N A 34 ALA CA A 34 ALA C 1.0 -67.22 -60.42 PHI 60 60 A 34 ALA N A 34 ALA CA A 34 ALA C A 35 ASP N 1.0 -45.44 -35.92 PSI 61 61 A 34 ALA C A 35 ASP N A 35 ASP CA A 35 ASP C 1.0 -67.43 -61.17 PHI 62 62 A 35 ASP N A 35 ASP CA A 35 ASP C A 36 GLU N 1.0 -45.79 -37.13 PSI 63 63 A 35 ASP C A 36 GLU N A 36 GLU CA A 36 GLU C 1.0 -70.30 -59.60 PHI 64 64 A 36 GLU N A 36 GLU CA A 36 GLU C A 37 LEU N 1.0 -33.56 -22.36 PSI 65 65 A 36 GLU C A 37 LEU N A 37 LEU CA A 37 LEU C 1.0 -91.32 -77.14 PHI 66 66 A 37 LEU N A 37 LEU CA A 37 LEU C A 38 GLY N 1.0 -13.32 4.06 PSI stop_ save_