data_nef_c15323_2jr8 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 LYS middle . . 3 A 3 ILE middle . . 4 A 4 PRO middle . false 5 A 5 VAL middle . . 6 A 6 LYS middle . . 7 A 7 ALA middle . . 8 A 8 ILE middle . . 9 A 9 LYS middle . . 10 A 10 GLN middle . . 11 A 11 ALA middle . . 12 A 12 GLY middle . false 13 A 13 LYS middle . . 14 A 14 VAL middle . . 15 A 15 ILE middle . . 16 A 16 GLY middle . false 17 A 17 LYS middle . . 18 A 18 GLY middle . false 19 A 19 LEU middle . . 20 A 20 ARG middle . . 21 A 21 ALA middle . . 22 A 22 ILE middle . . 23 A 23 ASN middle . . 24 A 24 ILE middle . . 25 A 25 ALA middle . . 26 A 26 GLY middle . false 27 A 27 THR middle . . 28 A 28 THR middle . . 29 A 29 HIS middle . . 30 A 30 ASP middle . . 31 A 31 VAL middle . . 32 A 32 VAL middle . . 33 A 33 SER middle . . 34 A 34 PHE middle . . 35 A 35 PHE middle . . 36 A 36 ARG middle . . 37 A 37 PRO middle . false 38 A 38 LYS middle . . 39 A 39 LYS middle . . 40 A 40 LYS middle . . 41 A 41 LYS middle . . 42 A 42 HIS 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 LYS H H 1 8.49 0.01 A 2 LYS HA H 1 4.32 0.01 A 2 LYS HBx H 1 1.73 0.01 A 2 LYS HDx H 1 1.61 0.01 A 2 LYS HEx H 1 2.84 0.01 A 2 LYS HGx H 1 1.38 0.01 A 3 ILE H H 1 8.30 0.01 A 3 ILE HA H 1 4.25 0.01 A 3 ILE HB H 1 1.80 0.01 A 3 ILE HD1% H 1 0.81 0.01 A 3 ILE HG12 H 1 1.58 0.01 A 3 ILE HG2% H 1 0.85 0.01 A 4 PRO HA H 1 4.50 0.01 A 4 PRO HBx H 1 2.06 0.01 A 4 PRO HD2 H 1 3.84 0.01 A 4 PRO HD3 H 1 3.56 0.01 A 4 PRO HGx H 1 1.92 0.01 A 5 VAL H H 1 8.22 0.01 A 5 VAL HA H 1 3.57 0.01 A 5 VAL HB H 1 2.03 0.01 A 5 VAL HG1% H 1 1.02 0.01 A 5 VAL HG2% H 1 0.91 0.01 A 6 LYS H H 1 8.45 0.01 A 6 LYS HA H 1 3.85 0.01 A 6 LYS HBx H 1 1.78 0.01 A 6 LYS HDx H 1 1.48 0.01 A 6 LYS HGx H 1 1.34 0.01 A 7 ALA H H 1 7.72 0.01 A 7 ALA HA H 1 4.04 0.01 A 7 ALA HB% H 1 1.43 0.01 A 8 ILE H H 1 7.74 0.01 A 8 ILE HA H 1 3.62 0.01 A 8 ILE HB H 1 1.90 0.01 A 8 ILE HD1% H 1 0.76 0.01 A 8 ILE HG12 H 1 1.68 0.01 A 8 ILE HG13 H 1 1.04 0.01 A 8 ILE HG2% H 1 0.86 0.01 A 9 LYS H H 1 8.11 0.01 A 9 LYS HA H 1 3.95 0.01 A 9 LYS HBx H 1 1.92 0.01 A 9 LYS HDx H 1 1.60 0.01 A 9 LYS HGx H 1 1.39 0.01 A 10 GLN H H 1 8.27 0.01 A 10 GLN HA H 1 4.01 0.01 A 10 GLN HB2 H 1 2.19 0.01 A 10 GLN HB3 H 1 2.01 0.01 A 10 GLN HE21 H 1 7.43 0.01 A 10 GLN HE22 H 1 6.77 0.01 A 10 GLN HGx H 1 2.34 0.01 A 11 ALA H H 1 8.27 0.01 A 11 ALA HA H 1 3.97 0.01 A 11 ALA HB% H 1 1.45 0.01 A 12 GLY H H 1 8.40 0.01 A 12 GLY HAx H 1 3.77 0.01 A 13 LYS H H 1 7.90 0.01 A 13 LYS HA H 1 4.00 0.01 A 13 LYS HB2 H 1 2.01 0.01 A 13 LYS HB3 H 1 1.85 0.01 A 13 LYS HDx H 1 1.64 0.01 A 13 LYS HGx H 1 1.40 0.01 A 14 VAL H H 1 7.85 0.01 A 14 VAL HA H 1 3.51 0.01 A 14 VAL HB H 1 2.22 0.01 A 14 VAL HG1% H 1 1.04 0.01 A 14 VAL HG2% H 1 0.91 0.01 A 15 ILE H H 1 8.38 0.01 A 15 ILE HA H 1 3.68 0.01 A 15 ILE HB H 1 1.87 0.01 A 15 ILE HD1% H 1 0.79 0.01 A 15 ILE HG12 H 1 1.73 0.01 A 15 ILE HG13 H 1 1.10 0.01 A 15 ILE HG2% H 1 0.85 0.01 A 16 GLY H H 1 8.50 0.01 A 16 GLY HA2 H 1 3.79 0.01 A 16 GLY HA3 H 1 3.66 0.01 A 17 LYS H H 1 8.12 0.01 A 17 LYS HA H 1 3.93 0.01 A 17 LYS HB2 H 1 1.95 0.01 A 17 LYS HB3 H 1 1.88 0.01 A 17 LYS HDx H 1 1.81 0.01 A 17 LYS HGx H 1 1.63 0.01 A 18 GLY H H 1 8.20 0.01 A 18 GLY HA2 H 1 3.83 0.01 A 18 GLY HA3 H 1 3.73 0.01 A 19 LEU H H 1 8.50 0.01 A 19 LEU HA H 1 4.03 0.01 A 19 LEU HBx H 1 1.87 0.01 A 19 LEU HD1% H 1 0.87 0.01 A 19 LEU HD2% H 1 0.78 0.01 A 19 LEU HG H 1 1.43 0.01 A 20 ARG H H 1 8.08 0.01 A 20 ARG HA H 1 4.01 0.01 A 20 ARG HB2 H 1 1.95 0.01 A 20 ARG HB3 H 1 1.86 0.01 A 20 ARG HDx H 1 3.14 0.01 A 20 ARG HE H 1 7.55 0.01 A 20 ARG HGx H 1 1.61 0.01 A 21 ALA H H 1 8.22 0.01 A 21 ALA HA H 1 3.94 0.01 A 21 ALA HB% H 1 1.52 0.01 A 22 ILE H H 1 8.16 0.01 A 22 ILE HA H 1 3.61 0.01 A 22 ILE HB H 1 1.97 0.01 A 22 ILE HD1% H 1 0.76 0.01 A 22 ILE HG12 H 1 1.81 0.01 A 22 ILE HG13 H 1 1.03 0.01 A 22 ILE HG2% H 1 0.86 0.01 A 23 ASN H H 1 8.19 0.01 A 23 ASN HA H 1 4.48 0.01 A 23 ASN HB2 H 1 2.91 0.01 A 23 ASN HB3 H 1 2.71 0.01 A 23 ASN HD21 H 1 7.47 0.01 A 23 ASN HD22 H 1 6.83 0.01 A 24 ILE H H 1 8.64 0.01 A 24 ILE HA H 1 3.72 0.01 A 24 ILE HB H 1 1.92 0.01 A 24 ILE HD1% H 1 0.80 0.01 A 24 ILE HG12 H 1 1.84 0.01 A 24 ILE HG13 H 1 1.06 0.01 A 24 ILE HG2% H 1 0.86 0.01 A 25 ALA H H 1 8.52 0.01 A 25 ALA HA H 1 4.02 0.01 A 25 ALA HB% H 1 1.46 0.01 A 26 GLY H H 1 8.85 0.01 A 26 GLY HA2 H 1 3.84 0.01 A 26 GLY HA3 H 1 3.74 0.01 A 27 THR H H 1 8.35 0.01 A 27 THR HA H 1 3.92 0.01 A 27 THR HB H 1 4.22 0.01 A 27 THR HG2% H 1 1.18 0.01 A 28 THR H H 1 8.33 0.01 A 28 THR HA H 1 3.75 0.01 A 28 THR HB H 1 4.23 0.01 A 28 THR HG2% H 1 1.15 0.01 A 29 HIS H H 1 8.36 0.01 A 29 HIS HA H 1 4.18 0.01 A 29 HIS HB2 H 1 3.45 0.01 A 29 HIS HB3 H 1 3.30 0.01 A 29 HIS HD2 H 1 7.33 0.01 A 29 HIS HE1 H 1 8.58 0.01 A 30 ASP H H 1 8.39 0.01 A 30 ASP HA H 1 4.27 0.01 A 30 ASP HB2 H 1 3.13 0.01 A 30 ASP HB3 H 1 2.76 0.01 A 31 VAL H H 1 8.32 0.01 A 31 VAL HA H 1 3.70 0.01 A 31 VAL HB H 1 2.23 0.01 A 31 VAL HG1% H 1 1.08 0.01 A 31 VAL HG2% H 1 1.00 0.01 A 32 VAL H H 1 8.18 0.01 A 32 VAL HA H 1 3.68 0.01 A 32 VAL HB H 1 2.09 0.01 A 32 VAL HG1% H 1 1.02 0.01 A 32 VAL HG2% H 1 0.89 0.01 A 33 SER H H 1 7.93 0.01 A 33 SER HA H 1 3.96 0.01 A 33 SER HB2 H 1 3.72 0.01 A 33 SER HB3 H 1 3.59 0.01 A 34 PHE H H 1 7.90 0.01 A 34 PHE HA H 1 4.12 0.01 A 34 PHE HB2 H 1 2.95 0.01 A 34 PHE HB3 H 1 2.86 0.01 A 34 PHE HDx H 1 6.65 0.01 A 34 PHE HEx H 1 6.97 0.01 A 34 PHE HZ H 1 6.81 0.01 A 35 PHE H H 1 7.84 0.01 A 35 PHE HA H 1 4.35 0.01 A 35 PHE HB2 H 1 2.95 0.01 A 35 PHE HB3 H 1 2.88 0.01 A 35 PHE HDx H 1 7.39 0.01 A 35 PHE HEx H 1 7.24 0.01 A 35 PHE HZ H 1 7.17 0.01 A 36 ARG H H 1 7.77 0.01 A 36 ARG HA H 1 4.42 0.01 A 36 ARG HBx H 1 1.84 0.01 A 36 ARG HDx H 1 3.12 0.01 A 36 ARG HE H 1 7.42 0.01 A 36 ARG HGx H 1 1.64 0.01 A 37 PRO HA H 1 4.29 0.01 A 37 PRO HBx H 1 2.16 0.01 A 37 PRO HD2 H 1 3.70 0.01 A 37 PRO HD3 H 1 3.51 0.01 A 37 PRO HGx H 1 1.80 0.01 A 38 LYS H H 1 8.10 0.01 A 38 LYS HA H 1 4.27 0.01 A 38 LYS HBx H 1 1.82 0.01 A 38 LYS HDx H 1 1.64 0.01 A 39 LYS H H 1 7.99 0.01 A 39 LYS HA H 1 4.19 0.01 A 39 LYS HBx H 1 1.77 0.01 A 39 LYS HD2 H 1 1.66 0.01 A 39 LYS HD3 H 1 1.58 0.01 A 39 LYS HGx H 1 1.40 0.01 A 40 LYS H H 1 8.04 0.01 A 40 LYS HA H 1 4.22 0.01 A 40 LYS HBx H 1 1.78 0.01 A 40 LYS HD2 H 1 1.63 0.01 A 40 LYS HD3 H 1 1.59 0.01 A 40 LYS HGx H 1 1.39 0.01 A 41 LYS H H 1 8.18 0.01 A 41 LYS HA H 1 4.16 0.01 A 41 LYS HBx H 1 1.73 0.01 A 41 LYS HD2 H 1 1.62 0.01 A 41 LYS HD3 H 1 1.58 0.01 A 41 LYS HGx H 1 1.38 0.01 A 42 HIS H H 1 7.86 0.01 A 42 HIS HA H 1 4.38 0.01 A 42 HIS HB2 H 1 3.22 0.01 A 42 HIS HB3 H 1 3.04 0.01 A 42 HIS HD2 H 1 7.20 0.01 A 42 HIS HE1 H 1 8.58 0.01 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 2 LYS HA A 3 ILE H 1.0 1.8 3.1 2 2 A 2 LYS H A 2 LYS HBx 1.0 1.8 3.6 3 2 A 2 LYS HBy A 2 LYS H 1.0 1.8 3.6 4 3 A 3 ILE H A 2 LYS HBx 1.0 1.8 3.6 5 3 A 3 ILE H A 2 LYS HBy 1.0 1.8 3.6 6 4 A 2 LYS H A 2 LYS HDx 1.0 1.8 4.0 7 4 A 2 LYS H A 2 LYS HDy 1.0 1.8 4.0 8 5 A 3 ILE HA A 4 PRO HD2 1.0 1.8 5.0 9 6 A 3 ILE H A 3 ILE HB 1.0 1.8 3.1 10 7 A 3 ILE H A 3 ILE HG1y 1.0 1.8 3.5 11 8 A 3 ILE H A 3 ILE HG2% 1.0 1.8 3.6 12 9 A 4 PRO HA A 5 VAL H 1.0 1.8 3.5 13 10 A 4 PRO HA A 6 LYS H 1.0 1.8 5.0 14 11 A 4 PRO HA A 7 ALA HB% 1.0 1.8 5.0 15 12 A 4 PRO HA A 7 ALA H 1.0 1.8 5.0 16 13 A 7 ALA HB% A 4 PRO HBx 1.0 1.8 5.0 17 13 A 7 ALA HB% A 4 PRO HBy 1.0 1.8 5.0 18 14 A 5 VAL HA A 5 VAL HB 1.0 1.8 3.1 19 15 A 5 VAL HA A 5 VAL HG1% 1.0 1.8 3.6 20 16 A 5 VAL HA A 5 VAL HG2% 1.0 1.8 3.6 21 17 A 5 VAL H A 5 VAL HA 1.0 1.8 3.1 22 18 A 6 LYS H A 5 VAL HA 1.0 1.8 3.5 23 19 A 5 VAL HA A 8 ILE HB 1.0 1.8 3.5 24 20 A 5 VAL HA A 8 ILE HD1% 1.0 1.8 5.5 25 21 A 5 VAL HA A 8 ILE HG2% 1.0 1.8 5.5 26 22 A 5 VAL HA A 8 ILE H 1.0 1.8 3.5 27 23 A 5 VAL HA A 9 LYS H 1.0 1.8 5.0 28 24 A 5 VAL H A 5 VAL HB 1.0 1.8 3.1 29 25 A 6 LYS H A 5 VAL HB 1.0 1.8 3.1 30 26 A 5 VAL H A 5 VAL HG1% 1.0 1.8 3.6 31 27 A 5 VAL HG1% A 9 LYS H 1.0 1.8 6.0 32 28 A 5 VAL HG2% A 9 LYS H 1.0 1.8 6.0 33 29 A 5 VAL H A 7 ALA H 1.0 1.8 5.0 34 30 A 6 LYS HA A 10 GLN H 1.0 1.8 5.0 35 31 A 7 ALA H A 6 LYS HA 1.0 1.8 3.5 36 32 A 6 LYS HA A 9 LYS HBx 1.0 1.8 5.5 37 32 A 6 LYS HA A 9 LYS HBy 1.0 1.8 5.5 38 33 A 9 LYS H A 6 LYS HA 1.0 1.8 3.5 39 34 A 7 ALA H A 6 LYS HBx 1.0 1.8 4.0 40 34 A 7 ALA H A 6 LYS HBy 1.0 1.8 4.0 41 35 A 6 LYS H A 6 LYS HDx 1.0 1.8 4.0 42 35 A 6 LYS H A 6 LYS HDy 1.0 1.8 4.0 43 36 A 5 VAL H A 6 LYS H 1.0 1.8 3.5 44 37 A 6 LYS H A 7 ALA H 1.0 1.8 3.1 45 38 A 7 ALA HA A 10 GLN HB3 1.0 1.8 5.5 46 38 A 7 ALA HA A 10 GLN HB2 1.0 1.8 5.5 47 39 A 7 ALA H A 7 ALA HA 1.0 1.8 3.1 48 40 A 7 ALA HB% A 7 ALA H 1.0 1.8 3.6 49 41 A 7 ALA HB% A 8 ILE H 1.0 1.8 4.0 50 42 A 7 ALA H A 8 ILE H 1.0 1.8 3.6 51 43 A 8 ILE HA A 11 ALA HB% 1.0 1.8 5.5 52 44 A 8 ILE HA A 11 ALA H 1.0 1.8 3.5 53 45 A 8 ILE HA A 12 GLY H 1.0 1.8 5.0 54 46 A 8 ILE HA A 8 ILE HG13 1.0 1.8 3.5 55 47 A 8 ILE H A 8 ILE HA 1.0 1.8 3.1 56 48 A 9 LYS H A 8 ILE HA 1.0 1.8 3.5 57 49 A 8 ILE HB A 8 ILE H 1.0 1.8 3.1 58 50 A 8 ILE HB A 9 LYS H 1.0 1.8 3.5 59 51 A 8 ILE HD1% A 8 ILE H 1.0 1.8 4.0 60 52 A 8 ILE HD1% A 9 LYS H 1.0 1.8 3.6 61 53 A 8 ILE H A 8 ILE HG13 1.0 1.8 3.1 62 54 A 8 ILE H A 8 ILE HG12 1.0 1.8 3.5 63 55 A 8 ILE HG2% A 8 ILE H 1.0 1.8 4.0 64 56 A 8 ILE HG2% A 9 LYS H 1.0 1.8 3.6 65 57 A 10 GLN H A 9 LYS HA 1.0 1.8 3.5 66 58 A 11 ALA H A 9 LYS HA 1.0 1.8 5.0 67 59 A 12 GLY H A 9 LYS HA 1.0 1.8 3.5 68 60 A 9 LYS HA A 13 LYS H 1.0 1.8 5.0 69 61 A 10 GLN H A 9 LYS HBx 1.0 1.8 4.0 70 61 A 10 GLN H A 9 LYS HBy 1.0 1.8 4.0 71 62 A 8 ILE H A 9 LYS H 1.0 1.8 3.1 72 63 A 10 GLN HA A 10 GLN HB3 1.0 1.8 3.1 73 64 A 10 GLN HA A 10 GLN HGx 1.0 1.8 3.6 74 64 A 10 GLN HA A 10 GLN HGy 1.0 1.8 3.6 75 65 A 10 GLN HA A 13 LYS HB3 1.0 1.8 4.0 76 66 A 13 LYS H A 10 GLN HA 1.0 1.8 3.5 77 67 A 10 GLN HA A 14 VAL H 1.0 1.8 5.0 78 68 A 11 ALA H A 10 GLN HA 1.0 1.8 3.5 79 69 A 11 ALA H A 10 GLN HB3 1.0 1.8 5.0 80 70 A 10 GLN HB2 A 11 ALA H 1.0 1.8 5.0 81 71 A 11 ALA H A 10 GLN HGx 1.0 1.8 5.5 82 71 A 11 ALA H A 10 GLN HGy 1.0 1.8 5.5 83 72 A 8 ILE H A 10 GLN H 1.0 1.8 5.0 84 73 A 9 LYS H A 10 GLN H 1.0 1.8 3.1 85 74 A 11 ALA H A 11 ALA HA 1.0 1.8 3.1 86 75 A 12 GLY H A 11 ALA HA 1.0 1.8 3.5 87 76 A 11 ALA HA A 14 VAL HB 1.0 1.8 3.5 88 77 A 14 VAL H A 11 ALA HA 1.0 1.8 3.5 89 78 A 11 ALA HA A 15 ILE H 1.0 1.8 5.0 90 79 A 11 ALA HB% A 11 ALA H 1.0 1.8 4.0 91 80 A 11 ALA HB% A 12 GLY H 1.0 1.8 4.0 92 81 A 10 GLN H A 13 LYS H 1.0 2.8 5.0 93 82 A 13 LYS H A 12 GLY HAx 1.0 1.8 3.6 94 82 A 13 LYS H A 12 GLY HAy 1.0 1.8 3.6 95 83 A 15 ILE HB A 12 GLY HAx 1.0 1.8 3.6 96 83 A 12 GLY HAy A 15 ILE HB 1.0 1.8 3.6 97 84 A 15 ILE H A 12 GLY HAx 1.0 1.8 4.0 98 84 A 15 ILE H A 12 GLY HAy 1.0 1.8 4.0 99 85 A 16 GLY H A 12 GLY HAx 1.0 1.8 5.5 100 85 A 12 GLY HAy A 16 GLY H 1.0 1.8 5.5 101 86 A 11 ALA H A 12 GLY H 1.0 1.8 3.1 102 87 A 12 GLY H A 13 LYS H 1.0 1.8 3.1 103 88 A 13 LYS HA A 13 LYS HDx 1.0 1.8 3.6 104 88 A 13 LYS HA A 13 LYS HDy 1.0 1.8 3.6 105 89 A 13 LYS H A 13 LYS HA 1.0 1.8 3.1 106 90 A 16 GLY H A 13 LYS HA 1.0 1.8 3.5 107 91 A 13 LYS H A 13 LYS HB3 1.0 1.8 3.5 108 92 A 13 LYS HB3 A 14 VAL H 1.0 1.8 4.0 109 93 A 13 LYS H A 13 LYS HB2 1.0 1.8 3.1 110 94 A 14 VAL H A 13 LYS HB2 1.0 1.8 4.0 111 95 A 13 LYS H A 13 LYS HDx 1.0 1.8 3.1 112 95 A 13 LYS H A 13 LYS HDy 1.0 1.8 3.1 113 96 A 13 LYS H A 14 VAL H 1.0 1.8 3.5 114 97 A 14 VAL HB A 14 VAL HA 1.0 1.8 3.1 115 98 A 14 VAL HA A 14 VAL HG1% 1.0 1.8 3.6 116 99 A 14 VAL HA A 14 VAL HG2% 1.0 1.8 3.6 117 100 A 14 VAL H A 14 VAL HA 1.0 1.8 3.1 118 101 A 15 ILE H A 14 VAL HA 1.0 1.8 3.5 119 102 A 16 GLY H A 14 VAL HA 1.0 1.8 5.0 120 103 A 14 VAL HA A 17 LYS HB3 1.0 1.8 3.5 121 104 A 14 VAL HA A 17 LYS HB2 1.0 1.8 3.5 122 105 A 14 VAL HA A 17 LYS H 1.0 1.8 3.5 123 106 A 14 VAL HA A 18 GLY H 1.0 1.8 5.0 124 107 A 14 VAL H A 14 VAL HB 1.0 1.8 3.1 125 108 A 14 VAL HB A 15 ILE H 1.0 1.8 3.1 126 109 A 14 VAL H A 14 VAL HG1% 1.0 1.8 3.6 127 110 A 15 ILE H A 14 VAL HG1% 1.0 1.8 4.0 128 111 A 14 VAL H A 14 VAL HG2% 1.0 1.8 4.0 129 112 A 15 ILE H A 14 VAL HG2% 1.0 1.8 4.0 130 113 A 15 ILE HA A 15 ILE HG13 1.0 1.8 3.1 131 114 A 15 ILE H A 15 ILE HA 1.0 1.8 3.1 132 115 A 16 GLY H A 15 ILE HA 1.0 1.8 4.0 133 116 A 18 GLY H A 15 ILE HA 1.0 1.8 4.0 134 117 A 15 ILE HA A 19 LEU H 1.0 1.8 5.0 135 118 A 15 ILE H A 15 ILE HB 1.0 1.8 3.1 136 119 A 15 ILE H A 15 ILE HG13 1.0 1.8 3.5 137 120 A 15 ILE H A 15 ILE HG12 1.0 1.8 3.5 138 121 A 14 VAL H A 15 ILE H 1.0 1.8 3.1 139 122 A 17 LYS H A 16 GLY HA3 1.0 1.8 3.5 140 123 A 19 LEU H A 16 GLY HA3 1.0 1.8 4.5 141 124 A 16 GLY HA3 A 19 LEU HBx 1.0 1.8 4.5 142 124 A 16 GLY HA3 A 19 LEU HBy 1.0 1.8 4.5 143 125 A 16 GLY HA3 A 20 ARG H 1.0 1.8 5.0 144 126 A 15 ILE H A 16 GLY H 1.0 1.8 3.5 145 127 A 16 GLY H A 17 LYS H 1.0 1.8 3.1 146 128 A 18 GLY H A 17 LYS HA 1.0 1.8 3.5 147 129 A 17 LYS HA A 20 ARG HB2 1.0 1.8 4.5 148 129 A 17 LYS HA A 20 ARG HB3 1.0 1.8 4.5 149 130 A 20 ARG H A 17 LYS HA 1.0 1.8 3.5 150 131 A 17 LYS HA A 21 ALA H 1.0 1.8 5.5 151 132 A 17 LYS H A 18 GLY H 1.0 1.8 4.0 152 133 A 19 LEU H A 18 GLY HA3 1.0 1.8 3.5 153 134 A 18 GLY HA3 A 21 ALA HB% 1.0 1.8 4.5 154 135 A 18 GLY HA3 A 22 ILE H 1.0 1.8 5.0 155 136 A 19 LEU H A 18 GLY HA2 1.0 1.8 4.0 156 137 A 21 ALA HB% A 18 GLY HA2 1.0 1.8 4.0 157 138 A 19 LEU HA A 19 LEU HD1% 1.0 1.8 4.0 158 139 A 19 LEU HA A 19 LEU HD2% 1.0 1.8 3.6 159 140 A 19 LEU HA A 22 ILE HB 1.0 1.8 5.0 160 141 A 22 ILE H A 19 LEU HA 1.0 1.8 3.5 161 142 A 19 LEU H A 19 LEU HBx 1.0 1.8 3.6 162 142 A 19 LEU H A 19 LEU HBy 1.0 1.8 3.6 163 143 A 20 ARG H A 19 LEU HBx 1.0 1.8 3.6 164 143 A 19 LEU HBy A 20 ARG H 1.0 1.8 3.6 165 144 A 19 LEU H A 19 LEU HG 1.0 1.8 5.0 166 145 A 18 GLY H A 19 LEU H 1.0 1.8 3.1 167 146 A 19 LEU H A 20 ARG H 1.0 1.8 3.1 168 147 A 21 ALA H A 20 ARG HA 1.0 1.8 3.5 169 148 A 20 ARG HA A 23 ASN HB3 1.0 1.8 3.5 170 149 A 20 ARG HA A 23 ASN HB2 1.0 1.8 3.5 171 150 A 20 ARG HA A 23 ASN H 1.0 1.8 3.5 172 151 A 20 ARG HA A 24 ILE H 1.0 1.8 5.0 173 152 A 21 ALA H A 21 ALA HA 1.0 1.8 3.1 174 153 A 22 ILE H A 21 ALA HA 1.0 1.8 3.5 175 154 A 21 ALA HA A 24 ILE HB 1.0 1.8 4.0 176 155 A 24 ILE H A 21 ALA HA 1.0 1.8 3.5 177 156 A 21 ALA HA A 25 ALA H 1.0 1.8 5.0 178 157 A 21 ALA H A 21 ALA HB% 1.0 1.8 3.6 179 158 A 21 ALA HB% A 22 ILE H 1.0 1.8 4.0 180 159 A 20 ARG H A 21 ALA H 1.0 1.8 3.1 181 160 A 21 ALA H A 22 ILE H 1.0 1.8 5.0 182 161 A 22 ILE HA A 22 ILE HG13 1.0 1.8 3.5 183 162 A 22 ILE H A 22 ILE HA 1.0 1.8 3.1 184 163 A 23 ASN H A 22 ILE HA 1.0 1.8 3.5 185 164 A 22 ILE HA A 25 ALA HB% 1.0 1.8 4.5 186 165 A 25 ALA H A 22 ILE HA 1.0 1.8 3.5 187 166 A 22 ILE HA A 26 GLY H 1.0 1.8 5.0 188 167 A 22 ILE H A 22 ILE HB 1.0 1.8 3.1 189 168 A 22 ILE H A 22 ILE HG13 1.0 1.8 3.5 190 169 A 22 ILE H A 23 ASN H 1.0 1.8 4.0 191 170 A 24 ILE H A 23 ASN HA 1.0 1.8 5.0 192 171 A 26 GLY H A 23 ASN HA 1.0 1.8 5.0 193 172 A 23 ASN HB3 A 23 ASN H 1.0 1.8 3.1 194 173 A 23 ASN HB3 A 24 ILE H 1.0 1.8 3.5 195 174 A 23 ASN HB2 A 23 ASN H 1.0 1.8 3.1 196 175 A 23 ASN HB2 A 24 ILE H 1.0 1.8 3.5 197 176 A 25 ALA H A 24 ILE HA 1.0 1.8 4.0 198 177 A 24 ILE HA A 27 THR H 1.0 1.8 4.0 199 178 A 24 ILE HA A 28 THR H 1.0 1.8 5.0 200 179 A 24 ILE H A 24 ILE HB 1.0 1.8 3.1 201 180 A 24 ILE HB A 25 ALA H 1.0 1.8 3.1 202 181 A 24 ILE H A 24 ILE HD1% 1.0 1.8 4.0 203 182 A 24 ILE H A 24 ILE HG13 1.0 1.8 3.1 204 183 A 24 ILE H A 24 ILE HG12 1.0 1.8 3.5 205 184 A 24 ILE H A 24 ILE HG2% 1.0 1.8 4.0 206 185 A 25 ALA H A 24 ILE HG2% 1.0 1.8 4.0 207 186 A 23 ASN H A 24 ILE H 1.0 1.8 3.5 208 187 A 24 ILE H A 25 ALA H 1.0 1.8 3.5 209 188 A 26 GLY H A 25 ALA HA 1.0 1.8 5.0 210 189 A 25 ALA HA A 28 THR HG2% 1.0 1.8 4.5 211 190 A 27 THR H A 25 ALA HA 1.0 2.8 5.0 212 191 A 28 THR H A 25 ALA HA 1.0 1.8 4.0 213 192 A 25 ALA HA A 29 HIS H 1.0 2.8 5.0 214 193 A 25 ALA HB% A 26 GLY H 1.0 1.8 4.0 215 194 A 26 GLY H A 26 GLY HA3 1.0 1.8 3.1 216 195 A 27 THR H A 26 GLY HA3 1.0 1.8 3.5 217 196 A 26 GLY H A 26 GLY HA2 1.0 1.8 3.5 218 197 A 27 THR H A 26 GLY HA2 1.0 1.8 3.5 219 198 A 26 GLY HA3 A 29 HIS HD2 1.0 1.8 6.0 220 199 A 25 ALA H A 26 GLY H 1.0 1.8 3.5 221 200 A 26 GLY H A 27 THR H 1.0 1.8 3.5 222 201 A 27 THR H A 27 THR HA 1.0 1.8 3.1 223 202 A 27 THR HA A 30 ASP H 1.0 1.8 3.5 224 203 A 24 ILE HA A 27 THR HB 1.0 1.8 4.5 225 204 A 27 THR H A 28 THR H 1.0 1.8 4.0 226 205 A 28 THR HG2% A 28 THR HA 1.0 1.8 3.6 227 206 A 28 THR HA A 31 VAL HB 1.0 1.8 3.5 228 207 A 28 THR HA A 31 VAL HG1% 1.0 1.8 4.5 229 208 A 28 THR HA A 31 VAL HG2% 1.0 1.8 4.5 230 209 A 28 THR H A 28 THR HB 1.0 1.8 3.1 231 210 A 28 THR H A 28 THR HG2% 1.0 1.8 3.6 232 211 A 28 THR H A 29 HIS H 1.0 1.8 4.0 233 212 A 29 HIS HD2 A 29 HIS HA 1.0 1.8 5.0 234 213 A 29 HIS H A 29 HIS HA 1.0 1.8 3.1 235 214 A 29 HIS HA A 32 VAL HB 1.0 1.8 4.0 236 215 A 29 HIS HA A 32 VAL HG1% 1.0 1.8 6.0 237 216 A 26 GLY HA3 A 29 HIS HB3 1.0 1.8 5.0 238 217 A 29 HIS HD2 A 29 HIS HB3 1.0 1.8 3.5 239 218 A 29 HIS H A 29 HIS HB3 1.0 1.8 3.1 240 219 A 30 ASP H A 29 HIS HB3 1.0 1.8 4.0 241 220 A 26 GLY HA3 A 29 HIS HB2 1.0 1.8 5.0 242 221 A 29 HIS HD2 A 29 HIS HB2 1.0 1.8 3.1 243 222 A 29 HIS H A 29 HIS HB2 1.0 1.8 3.1 244 223 A 30 ASP H A 29 HIS HB2 1.0 1.8 4.0 245 224 A 29 HIS H A 30 ASP H 1.0 1.8 4.0 246 225 A 30 ASP H A 30 ASP HA 1.0 1.8 3.1 247 226 A 30 ASP HA A 33 SER HB3 1.0 1.8 5.0 248 227 A 30 ASP HA A 33 SER HB2 1.0 1.8 3.1 249 228 A 27 THR HA A 30 ASP HB3 1.0 1.8 5.0 250 229 A 30 ASP H A 30 ASP HB3 1.0 1.8 3.1 251 230 A 30 ASP HB3 A 31 VAL H 1.0 1.8 3.1 252 231 A 27 THR HA A 30 ASP HB2 1.0 1.8 4.0 253 232 A 30 ASP H A 30 ASP HB2 1.0 1.8 3.1 254 233 A 31 VAL H A 30 ASP HB2 1.0 1.8 3.1 255 234 A 30 ASP H A 31 VAL H 1.0 1.8 4.0 256 235 A 31 VAL HB A 31 VAL HA 1.0 1.8 3.1 257 236 A 31 VAL H A 31 VAL HA 1.0 1.8 3.1 258 237 A 31 VAL HA A 32 VAL H 1.0 1.8 3.5 259 238 A 31 VAL HA A 34 PHE HB3 1.0 1.8 5.0 260 239 A 31 VAL HA A 34 PHE H 1.0 1.8 3.5 261 240 A 31 VAL HA A 35 PHE H 1.0 1.8 5.0 262 241 A 31 VAL HB A 31 VAL H 1.0 1.8 3.1 263 242 A 31 VAL HB A 32 VAL HB 1.0 1.8 5.0 264 243 A 31 VAL HB A 32 VAL H 1.0 1.8 5.0 265 244 A 31 VAL HG1% A 31 VAL H 1.0 1.8 3.6 266 245 A 31 VAL HG2% A 31 VAL H 1.0 1.8 3.6 267 246 A 31 VAL H A 32 VAL H 1.0 1.8 3.5 268 247 A 31 VAL H A 33 SER H 1.0 1.8 5.0 269 248 A 33 SER H A 32 VAL HA 1.0 1.8 3.5 270 249 A 32 VAL HA A 35 PHE HB3 1.0 1.8 4.0 271 250 A 32 VAL HA A 35 PHE HB2 1.0 1.8 4.0 272 251 A 35 PHE H A 32 VAL HA 1.0 1.8 3.5 273 252 A 32 VAL HA A 36 ARG H 1.0 1.8 5.0 274 253 A 32 VAL HB A 32 VAL H 1.0 1.8 3.1 275 254 A 32 VAL HB A 33 SER H 1.0 1.8 3.1 276 255 A 32 VAL HG1% A 32 VAL H 1.0 1.8 4.0 277 256 A 32 VAL HG1% A 33 SER H 1.0 1.8 4.0 278 257 A 32 VAL H A 32 VAL HG2% 1.0 1.8 4.0 279 258 A 33 SER H A 32 VAL HG2% 1.0 1.8 5.0 280 259 A 32 VAL H A 33 SER H 1.0 1.8 3.1 281 260 A 33 SER HB3 A 33 SER HA 1.0 1.8 3.1 282 261 A 33 SER H A 33 SER HA 1.0 1.8 3.1 283 262 A 34 PHE H A 33 SER HA 1.0 1.8 3.5 284 263 A 33 SER HA A 36 ARG HBx 1.0 1.8 4.0 285 263 A 33 SER HA A 36 ARG HBy 1.0 1.8 4.0 286 264 A 36 ARG H A 33 SER HA 1.0 1.8 5.0 287 265 A 33 SER HA A 37 PRO HD2 1.0 1.8 5.5 288 266 A 33 SER HB3 A 33 SER H 1.0 1.8 3.1 289 267 A 33 SER HB2 A 33 SER H 1.0 1.8 3.1 290 268 A 34 PHE H A 33 SER H 1.0 1.8 4.0 291 269 A 35 PHE H A 34 PHE HA 1.0 1.8 5.0 292 270 A 34 PHE HB3 A 35 PHE H 1.0 1.8 5.0 293 271 A 35 PHE H A 34 PHE HB2 1.0 1.8 5.0 294 272 A 34 PHE H A 35 PHE H 1.0 1.8 4.0 295 273 A 35 PHE H A 36 ARG H 1.0 1.8 5.0 296 274 A 37 PRO HA A 38 LYS H 1.0 1.8 3.5 297 275 A 37 PRO HD3 A 36 ARG HGx 1.0 1.8 5.5 298 275 A 37 PRO HD3 A 36 ARG HGy 1.0 1.8 5.5 299 276 A 36 ARG H A 37 PRO HD2 1.0 1.8 5.0 300 277 A 37 PRO HD2 A 36 ARG HGx 1.0 1.8 5.5 301 277 A 37 PRO HD2 A 36 ARG HGy 1.0 1.8 5.5 302 278 A 38 LYS HA A 39 LYS H 1.0 1.8 5.0 303 279 A 38 LYS H A 39 LYS H 1.0 1.8 4.0 304 280 A 39 LYS HA A 40 LYS H 1.0 1.8 3.5 305 281 A 40 LYS HA A 41 LYS H 1.0 1.8 3.5 306 282 A 40 LYS H A 41 LYS H 1.0 1.8 5.0 307 283 A 42 HIS H A 41 LYS HBx 1.0 1.8 4.5 308 283 A 41 LYS HBy A 42 HIS H 1.0 1.8 4.5 stop_ save_