data_nef_c17584_2lma 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 TRP start . . 2 A 2 ARG middle . . 3 A 3 PRO middle . false 4 A 4 TYR middle . . 5 A 5 LEU middle . . 6 A 6 GLN middle . . 7 A 7 THR middle . . 8 A 8 GLU middle . . 9 A 9 TYR middle . . 10 A 10 TYR middle . . 11 A 11 ASP middle . . 12 A 12 VAL middle . . 13 A 13 MET middle . . 14 A 14 THR middle . . 15 A 15 VAL middle . . 16 A 16 ILE middle . . 17 A 17 SER middle . . 18 A 18 PRO middle . false 19 A 19 PRO middle . false 20 A 20 GLU middle . . 21 A 21 PHE middle . . 22 A 22 GLY end . false stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 TRP HB3 H 1 3.26 0.02 A 1 TRP HD1 H 1 7.28 0.02 A 1 TRP HE1 H 1 10.16 0.02 A 1 TRP HE3 H 1 7.47 0.02 A 1 TRP HH2 H 1 7.19 0.02 A 1 TRP HZ2 H 1 7.45 0.02 A 1 TRP HZ3 H 1 7.07 0.02 A 1 TRP CB C 13 30.0 0.3 A 1 TRP CD1 C 13 130.0 0.3 A 1 TRP CE3 C 13 121.6 0.3 A 1 TRP CH2 C 13 124.6 0.3 A 1 TRP CZ2 C 13 114.7 0.3 A 1 TRP CZ3 C 13 122.0 0.3 A 1 TRP NE1 N 15 130.5 0.3 A 2 ARG H H 1 8.30 0.02 A 2 ARG HA H 1 4.60 0.02 A 2 ARG HD2 H 1 3.05 0.02 A 2 ARG CA C 13 57.7 0.3 A 2 ARG CD C 13 43.4 0.3 A 2 ARG N N 15 121.6 0.3 A 4 TYR H H 1 8.31 0.02 A 4 TYR HA H 1 4.80 0.02 A 4 TYR HBx H 1 3.78 0.02 A 4 TYR HBy H 1 3.83 0.02 A 4 TYR N N 15 115.5 0.3 A 5 LEU H H 1 8.04 0.02 A 5 LEU HA H 1 4.16 0.02 A 5 LEU HB2 H 1 1.49 0.02 A 5 LEU HD1% H 1 0.84 0.02 A 5 LEU HD2% H 1 0.79 0.02 A 5 LEU HG H 1 1.40 0.02 A 5 LEU CA C 13 56.8 0.3 A 5 LEU CB C 13 42.6 0.3 A 5 LEU CD1 C 13 24.6 0.3 A 5 LEU CD2 C 13 23.5 0.3 A 5 LEU CG C 13 26.6 0.3 A 5 LEU N N 15 124.2 0.3 A 6 GLN H H 1 8.58 0.02 A 6 GLN HA H 1 4.13 0.02 A 6 GLN HB3 H 1 1.85 0.02 A 6 GLN HGy H 1 2.13 0.02 A 6 GLN HGx H 1 2.02 0.02 A 6 GLN CA C 13 56.7 0.3 A 6 GLN CB C 13 27.0 0.3 A 6 GLN CG C 13 32.5 0.3 A 6 GLN N N 15 120.8 0.3 A 7 THR H H 1 8.03 0.02 A 7 THR HA H 1 4.44 0.02 A 7 THR HB H 1 4.22 0.02 A 7 THR HG2% H 1 1.12 0.02 A 7 THR CA C 13 57.6 0.3 A 7 THR CG2 C 13 21.6 0.3 A 7 THR N N 15 114.7 0.3 A 8 GLU H H 1 8.32 0.02 A 8 GLU HA H 1 4.21 0.02 A 8 GLU HB2 H 1 1.84 0.02 A 8 GLU HG2 H 1 2.09 0.02 A 8 GLU CB C 13 30.2 0.3 A 8 GLU CG C 13 36.0 0.3 A 8 GLU N N 15 122.6 0.3 A 9 TYR H H 1 8.09 0.02 A 9 TYR HA H 1 4.43 0.02 A 9 TYR HBy H 1 2.90 0.02 A 9 TYR HBx H 1 2.84 0.02 A 9 TYR HD1 H 1 6.98 0.02 A 9 TYR HE1 H 1 6.76 0.02 A 9 TYR CA C 13 57.6 0.3 A 9 TYR CB C 13 39.1 0.3 A 9 TYR CD2 C 13 133.2 0.3 A 9 TYR CE1 C 13 118.3 0.3 A 9 TYR N N 15 120.7 0.3 A 10 TYR H H 1 7.85 0.02 A 10 TYR HA H 1 4.45 0.02 A 10 TYR HBx H 1 2.84 0.02 A 10 TYR HBy H 1 2.97 0.02 A 10 TYR HD1 H 1 7.04 0.02 A 10 TYR HE1 H 1 6.78 0.02 A 10 TYR CA C 13 57.6 0.3 A 10 TYR CB C 13 39.1 0.3 A 10 TYR CD2 C 13 133.4 0.3 A 10 TYR CE1 C 13 118.2 0.3 A 10 TYR N N 15 121.8 0.3 A 11 ASP H H 1 8.19 0.02 A 11 ASP HA H 1 4.53 0.02 A 11 ASP HBy H 1 2.66 0.02 A 11 ASP HBx H 1 2.55 0.02 A 11 ASP CA C 13 54.0 0.3 A 11 ASP CB C 13 41.4 0.3 A 11 ASP N N 15 122.2 0.3 A 12 VAL H H 1 7.99 0.02 A 12 VAL HA H 1 4.04 0.02 A 12 VAL HB H 1 2.10 0.02 A 12 VAL HG2% H 1 0.91 0.02 A 12 VAL CA C 13 62.5 0.3 A 12 VAL CB C 13 32.4 0.3 A 12 VAL CG2 C 13 20.6 0.3 A 12 VAL N N 15 120.2 0.3 A 13 MET H H 1 8.38 0.02 A 13 MET HA H 1 4.48 0.02 A 13 MET HB2 H 1 2.48 0.02 A 13 MET HE% H 1 2.04 0.02 A 13 MET HG3 H 1 2.58 0.02 A 13 MET CA C 13 55.5 0.3 A 13 MET CB C 13 32.2 0.3 A 13 MET CE C 13 16.7 0.3 A 13 MET CG C 13 32.2 0.3 A 13 MET N N 15 122.5 0.3 A 14 THR H H 1 8.06 0.02 A 14 THR HA H 1 4.26 0.02 A 14 THR HB H 1 4.11 0.02 A 14 THR HG2% H 1 1.15 0.02 A 14 THR CA C 13 62.2 0.3 A 14 THR CB C 13 69.6 0.3 A 14 THR CG2 C 13 21.6 0.3 A 14 THR N N 15 116.3 0.3 A 15 VAL H H 1 8.13 0.02 A 15 VAL HA H 1 4.09 0.02 A 15 VAL HB H 1 2.02 0.02 A 15 VAL HG1% H 1 0.87 0.02 A 15 VAL HG2% H 1 0.90 0.02 A 15 VAL CA C 13 62.4 0.3 A 15 VAL CB C 13 36.0 0.3 A 15 VAL CG1 C 13 21.0 0.3 A 15 VAL CG2 C 13 20.6 0.3 A 15 VAL N N 15 123.8 0.3 A 16 ILE H H 1 8.28 0.02 A 16 ILE HA H 1 4.17 0.02 A 16 ILE HB H 1 1.90 0.02 A 16 ILE HD1% H 1 0.80 0.02 A 16 ILE HG1y H 1 1.43 0.02 A 16 ILE HG1x H 1 1.16 0.02 A 16 ILE HG2% H 1 0.86 0.02 A 16 ILE CA C 13 60.7 0.3 A 16 ILE CB C 13 38.6 0.3 A 16 ILE CD1 C 13 12.5 0.3 A 16 ILE CG1 C 13 26.8 0.3 A 16 ILE CG2 C 13 17.3 0.3 A 16 ILE N N 15 125.7 0.3 A 17 SER H H 1 8.42 0.02 A 17 SER HA H 1 4.70 0.02 A 17 SER HBy H 1 3.82 0.02 A 17 SER HBx H 1 3.70 0.02 A 17 SER CA C 13 56.3 0.3 A 17 SER CB C 13 63.2 0.3 A 17 SER N N 15 122.3 0.3 A 20 GLU H H 1 8.30 0.02 A 20 GLU HA H 1 4.28 0.02 A 20 GLU HB2 H 1 1.96 0.02 A 20 GLU HG2 H 1 2.30 0.02 A 20 GLU CA C 13 56.1 0.3 A 20 GLU CB C 13 27.4 0.3 A 20 GLU CG C 13 33.9 0.3 A 20 GLU N N 15 121.0 0.3 A 21 PHE H H 1 8.02 0.02 A 21 PHE HA H 1 4.21 0.02 A 21 PHE HB3 H 1 2.96 0.02 A 21 PHE HD1 H 1 7.03 0.02 A 21 PHE CA C 13 56.5 0.3 A 21 PHE CB C 13 38.7 0.3 A 21 PHE CD2 C 13 133.2 0.3 A 21 PHE N N 15 119.9 0.3 A 22 GLY H H 1 8.31 0.02 A 22 GLY HAy H 1 3.85 0.02 A 22 GLY HAx H 1 3.77 0.02 A 22 GLY CA C 13 44.8 0.3 A 22 GLY N N 15 112.1 0.3 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 7 THR H A 7 THR HB 1.0 . 4.00 2 2 A 7 THR HB A 8 GLU H 1.0 . 4.00 3 3 A 11 ASP H A 11 ASP HBy 1.0 . 4.00 4 3 A 11 ASP H A 11 ASP HBx 1.0 . 4.00 5 4 A 12 VAL H A 11 ASP HBy 1.0 . 4.50 6 4 A 11 ASP HBx A 12 VAL H 1.0 . 4.50 7 5 A 7 THR HB A 6 GLN HBx 1.0 . 5.50 8 5 A 7 THR HB A 6 GLN HB3 1.0 . 5.50 9 6 A 15 VAL HA A 19 PRO HA 1.0 . 5.50 10 7 A 11 ASP HA A 14 THR HB 1.0 . 4.40 11 8 A 8 GLU H A 7 THR HA 1.0 . 4.00 12 9 A 7 THR HA A 10 TYR HD% 1.0 . 5.00 13 10 A 7 THR HA A 10 TYR HBx 1.0 . 4.00 14 10 A 7 THR HA A 10 TYR HBy 1.0 . 4.00 15 11 A 7 THR HA A 7 THR HG2% 1.0 . 3.50 16 12 A 10 TYR HD% A 10 TYR HA 1.0 . 4.50 17 13 A 20 GLU HA A 20 GLU HG2 1.0 . 5.00 18 13 A 20 GLU HA A 20 GLU HGy 1.0 . 5.00 19 14 A 20 GLU HA A 20 GLU HG2 1.0 . 4.00 20 14 A 20 GLU HA A 20 GLU HGy 1.0 . 4.00 21 15 A 15 VAL HA A 15 VAL HG1% 1.0 . 4.00 22 16 A 15 VAL HA A 15 VAL HG1% 1.0 . 4.00 23 17 A 16 ILE HA A 16 ILE HG2% 1.0 . 4.00 24 18 A 13 MET HA A 16 ILE H 1.0 . 4.00 25 19 A 13 MET HA A 17 SER H 1.0 . 5.00 26 20 A 17 SER HA A 17 SER HBx 1.0 . 4.50 27 21 A 13 MET HA A 13 MET HG3 1.0 . 3.50 28 21 A 13 MET HA A 13 MET HGx 1.0 . 3.50 29 22 A 17 SER HA A 20 GLU HB2 1.0 . 4.50 30 22 A 17 SER HA A 20 GLU HBy 1.0 . 4.50 31 23 A 12 VAL H A 9 TYR HA 1.0 . 5.00 32 24 A 9 TYR HA A 12 VAL HB 1.0 . 4.00 33 25 A 18 PRO HA A 21 PHE HB3 1.0 . 3.50 34 25 A 18 PRO HA A 21 PHE HBx 1.0 . 3.50 35 26 A 18 PRO HA A 17 SER HBy 1.0 . 4.50 36 26 A 18 PRO HA A 17 SER HBx 1.0 . 4.50 37 27 A 8 GLU H A 8 GLU HB2 1.0 . 4.00 38 27 A 8 GLU H A 8 GLU HBy 1.0 . 4.00 39 28 A 21 PHE H A 20 GLU HG2 1.0 . 5.50 40 28 A 20 GLU HGy A 21 PHE H 1.0 . 5.50 41 29 A 20 GLU H A 20 GLU HB2 1.0 . 5.00 42 29 A 20 GLU HBy A 20 GLU H 1.0 . 5.00 43 30 A 17 SER HBx A 20 GLU HB2 1.0 . 4.50 44 30 A 17 SER HBy A 20 GLU HB2 1.0 . 4.50 45 30 A 20 GLU HBy A 17 SER HBy 1.0 . 4.50 46 30 A 20 GLU HBy A 17 SER HBx 1.0 . 4.50 47 31 A 20 GLU HBy A 20 GLU HG2 1.0 . 4.00 48 31 A 20 GLU HGy A 20 GLU HB2 1.0 . 4.00 49 31 A 20 GLU HGy A 20 GLU HBy 1.0 . 4.00 50 31 A 20 GLU HB2 A 20 GLU HG2 1.0 . 4.00 51 32 A 21 PHE HB3 A 21 PHE HE% 1.0 . 4.50 52 32 A 21 PHE HE% A 21 PHE HBx 1.0 . 4.50 53 33 A 5 LEU HA A 8 GLU HB2 1.0 . 4.50 54 33 A 8 GLU HBy A 5 LEU HA 1.0 . 4.50 55 34 A 6 GLN HB3 A 8 GLU HB2 1.0 . 5.50 56 34 A 6 GLN HBx A 8 GLU HB2 1.0 . 5.50 57 34 A 8 GLU HBy A 6 GLN HBx 1.0 . 5.50 58 34 A 6 GLN HB3 A 8 GLU HBy 1.0 . 5.50 59 35 A 16 ILE HA A 16 ILE HD1% 1.0 . 4.00 60 36 A 17 SER H A 16 ILE HD1% 1.0 . 5.50 61 37 A 17 SER H A 16 ILE HG1y 1.0 . 5.50 62 37 A 17 SER H A 16 ILE HG1x 1.0 . 5.50 63 38 A 17 SER HA A 17 SER HBy 1.0 . 4.50 64 38 A 17 SER HA A 17 SER HBx 1.0 . 4.50 65 39 A 14 THR HA A 17 SER HBy 1.0 . 5.06 66 39 A 14 THR HA A 17 SER HBx 1.0 . 5.06 67 40 A 13 MET HG3 A 17 SER HBx 1.0 . 5.00 68 40 A 13 MET HG3 A 17 SER HBy 1.0 . 5.00 69 40 A 13 MET HGx A 17 SER HBx 1.0 . 5.00 70 40 A 17 SER HBy A 13 MET HGx 1.0 . 5.00 71 41 A 15 VAL H A 15 VAL HB 1.0 . 3.00 72 42 A 6 GLN H A 5 LEU HB2 1.0 . 4.00 73 42 A 5 LEU HBy A 6 GLN H 1.0 . 4.00 74 43 A 16 ILE HA A 19 PRO HBx 1.0 . 4.00 75 43 A 16 ILE HA A 19 PRO HBy 1.0 . 4.00 76 44 A 20 GLU HBy A 20 GLU HG2 1.0 . 3.50 77 44 A 20 GLU HGy A 20 GLU HB2 1.0 . 3.50 78 44 A 20 GLU HGy A 20 GLU HBy 1.0 . 3.50 79 44 A 20 GLU HB2 A 20 GLU HG2 1.0 . 3.50 80 45 A 13 MET HE% A 16 ILE HB 1.0 . 5.00 81 46 A 13 MET HG3 A 16 ILE HB 1.0 . 5.50 82 46 A 16 ILE HB A 13 MET HGx 1.0 . 5.50 83 47 A 13 MET HG3 A 16 ILE HB 1.0 . 5.50 84 47 A 16 ILE HB A 13 MET HGx 1.0 . 5.50 85 48 A 13 MET HE% A 16 ILE HB 1.0 . 5.00 86 49 A 16 ILE H A 16 ILE HB 1.0 . 4.00 87 50 A 17 SER H A 16 ILE HB 1.0 . 4.00 88 51 A 12 VAL H A 12 VAL HG11 1.0 . 4.50 89 51 A 12 VAL H A 12 VAL HG2% 1.0 . 4.50 90 52 A 15 VAL H A 15 VAL HG2% 1.0 . 4.50 91 52 A 15 VAL H A 15 VAL HG1% 1.0 . 4.50 92 53 A 13 MET HE% A 13 MET HB2 1.0 . 2.50 93 53 A 13 MET HE% A 13 MET HBy 1.0 . 2.50 94 54 A 7 THR HG2% A 8 GLU HA 1.0 . 4.00 95 55 A 7 THR HG2% A 6 GLN HGy 1.0 . 5.50 96 55 A 7 THR HG2% A 6 GLN HGx 1.0 . 5.50 97 56 A 10 TYR HD% A 7 THR HG2% 1.0 . 5.00 98 57 A 7 THR HG2% A 10 TYR HE% 1.0 . 5.50 99 58 A 8 GLU H A 7 THR HG2% 1.0 . 3.50 100 59 A 5 LEU H A 5 LEU HG 1.0 . 4.00 101 60 A 5 LEU HG A 6 GLN HA 1.0 . 4.50 102 61 A 4 TYR HBy A 5 LEU HD1% 1.0 . 5.00 103 61 A 4 TYR HBx A 5 LEU HD1% 1.0 . 5.00 104 61 A 5 LEU HD2% A 4 TYR HBx 1.0 . 5.00 105 61 A 4 TYR HBy A 5 LEU HD2% 1.0 . 5.00 106 62 A 5 LEU HA A 5 LEU HD1% 1.0 . 3.50 107 62 A 5 LEU HA A 5 LEU HD2% 1.0 . 3.50 108 63 A 6 GLN HA A 5 LEU HD1% 1.0 . 4.50 109 63 A 6 GLN HA A 5 LEU HD2% 1.0 . 4.50 110 64 A 5 LEU HG A 4 TYR HBx 1.0 . 5.00 111 64 A 5 LEU HG A 4 TYR HBy 1.0 . 5.00 112 65 A 4 TYR HBy A 8 GLU HB2 1.0 . 5.50 113 65 A 4 TYR HBx A 8 GLU HB2 1.0 . 5.50 114 65 A 8 GLU HBy A 4 TYR HBx 1.0 . 5.50 115 65 A 8 GLU HBy A 4 TYR HBy 1.0 . 5.50 116 66 A 4 TYR HBy A 6 GLN HBx 1.0 . 5.50 117 66 A 4 TYR HBx A 6 GLN HBx 1.0 . 5.50 118 66 A 6 GLN HB3 A 4 TYR HBx 1.0 . 5.50 119 66 A 6 GLN HB3 A 4 TYR HBy 1.0 . 5.50 120 67 A 5 LEU HA A 4 TYR HBx 1.0 . 4.50 121 67 A 5 LEU HA A 4 TYR HBy 1.0 . 4.50 122 68 A 3 PRO HA A 4 TYR HBx 1.0 . 5.00 123 68 A 4 TYR HBy A 3 PRO HA 1.0 . 5.00 124 69 A 6 GLN H A 4 TYR HBx 1.0 . 5.00 125 69 A 6 GLN H A 4 TYR HBy 1.0 . 5.00 126 70 A 17 SER HBy A 18 PRO HBx 1.0 . 4.50 127 70 A 17 SER HBx A 18 PRO HBx 1.0 . 4.50 128 70 A 18 PRO HBy A 17 SER HBy 1.0 . 4.50 129 70 A 18 PRO HBy A 17 SER HBx 1.0 . 4.50 130 71 A 21 PHE HB3 A 18 PRO HBy 1.0 . 4.00 131 71 A 18 PRO HBx A 21 PHE HBx 1.0 . 4.00 132 71 A 18 PRO HBy A 21 PHE HBx 1.0 . 4.00 133 71 A 21 PHE HB3 A 18 PRO HBx 1.0 . 4.00 134 72 A 7 THR HA A 8 GLU HA 1.0 . 5.00 135 73 A 5 LEU HA A 5 LEU HG 1.0 . 3.50 136 74 A 10 TYR HA A 13 MET HB2 1.0 . 3.50 137 74 A 10 TYR HA A 13 MET HBy 1.0 . 3.50 138 75 A 10 TYR HA A 13 MET HE% 1.0 . 4.00 139 76 A 10 TYR HA A 10 TYR HE% 1.0 . 4.50 140 77 A 10 TYR HA A 14 THR H 1.0 . 5.00 141 78 A 12 VAL HA A 12 VAL HG11 1.0 . 4.50 142 78 A 12 VAL HG2% A 12 VAL HA 1.0 . 4.50 143 79 A 9 TYR HA A 12 VAL HG11 1.0 . 4.50 144 79 A 9 TYR HA A 12 VAL HG2% 1.0 . 4.50 145 80 A 12 VAL H A 12 VAL HG11 1.0 . 4.50 146 80 A 12 VAL H A 12 VAL HG2% 1.0 . 4.50 147 81 A 14 THR HB A 14 THR HG1 1.0 . 3.50 148 82 A 12 VAL HG2% A 12 VAL HB 1.0 . 4.00 149 82 A 12 VAL HB A 12 VAL HG11 1.0 . 4.00 150 83 A 12 VAL H A 12 VAL HB 1.0 . 4.00 151 84 A 12 VAL HA A 12 VAL HB 1.0 . 4.50 152 85 A 17 SER H A 14 THR HA 1.0 . 4.50 153 86 A 14 THR HA A 17 SER HBy 1.0 . 4.00 154 86 A 14 THR HA A 17 SER HBx 1.0 . 4.00 155 87 A 14 THR HA A 13 MET HG3 1.0 . 4.50 156 87 A 14 THR HA A 13 MET HGx 1.0 . 4.50 157 88 A 14 THR HA A 14 THR HG1 1.0 . 4.00 158 89 A 14 THR HA A 13 MET HE% 1.0 . 4.50 159 90 A 14 THR HA A 17 SER HG 1.0 . 5.00 160 91 A 14 THR HB A 17 SER H 1.0 . 5.50 161 92 A 14 THR HB A 15 VAL H 1.0 . 4.00 162 93 A 14 THR HB A 13 MET HA 1.0 . 5.50 163 94 A 14 THR HB A 17 SER HBy 1.0 . 5.50 164 94 A 14 THR HB A 17 SER HBx 1.0 . 5.50 165 95 A 15 VAL H A 14 THR HG1 1.0 . 5.00 166 96 A 15 VAL HA A 15 VAL HG2% 1.0 . 4.00 167 96 A 15 VAL HA A 15 VAL HG1% 1.0 . 4.00 168 97 A 15 VAL HB A 14 THR H 1.0 . 4.50 169 98 A 16 ILE H A 15 VAL HB 1.0 . 3.50 170 99 A 21 PHE HB3 A 22 GLY H 1.0 . 3.00 171 99 A 22 GLY H A 21 PHE HBx 1.0 . 3.00 172 100 A 15 VAL HB A 15 VAL HG2% 1.0 . 4.50 173 100 A 15 VAL HB A 15 VAL HG1% 1.0 . 4.50 174 101 A 16 ILE HA A 15 VAL HG2% 1.0 . 4.00 175 101 A 16 ILE HA A 15 VAL HG1% 1.0 . 4.00 176 102 A 15 VAL H A 15 VAL HG2% 1.0 . 5.00 177 102 A 15 VAL H A 15 VAL HG1% 1.0 . 5.00 178 103 A 7 THR H A 7 THR HG2% 1.0 . 3.50 179 104 A 7 THR HG2% A 6 GLN H 1.0 . 4.50 180 105 A 7 THR HG2% A 6 GLN HBx 1.0 . 4.50 181 105 A 6 GLN HB3 A 7 THR HG2% 1.0 . 4.50 182 106 A 9 TYR HA A 8 GLU HB2 1.0 . 5.00 183 106 A 9 TYR HA A 8 GLU HBy 1.0 . 5.00 184 107 A 9 TYR H A 8 GLU HB2 1.0 . 4.50 185 107 A 8 GLU HBy A 9 TYR H 1.0 . 4.50 186 108 A 14 THR HA A 13 MET HB2 1.0 . 5.00 187 108 A 14 THR HA A 13 MET HBy 1.0 . 5.00 188 109 A 13 MET HA A 13 MET HGx 1.0 . 4.00 189 109 A 13 MET HA A 13 MET HG3 1.0 . 4.00 190 110 A 13 MET H A 13 MET HGx 1.0 . 4.50 191 110 A 13 MET HG3 A 13 MET H 1.0 . 4.50 192 111 A 13 MET HG3 A 17 SER HG 1.0 . 5.00 193 111 A 17 SER HG A 13 MET HGx 1.0 . 5.00 194 112 A 21 PHE HA A 21 PHE HD% 1.0 . 4.00 195 113 A 20 GLU H A 20 GLU HG2 1.0 . 4.50 196 113 A 20 GLU HGy A 20 GLU H 1.0 . 4.50 197 114 A 21 PHE H A 20 GLU HG2 1.0 . 5.00 198 114 A 20 GLU HGy A 21 PHE H 1.0 . 5.00 199 115 A 21 PHE H A 21 PHE HD% 1.0 . 5.00 200 116 A 21 PHE HA A 21 PHE HE% 1.0 . 4.50 201 117 A 11 ASP H A 12 VAL H 1.0 . 4.00 202 118 A 11 ASP H A 10 TYR HD% 1.0 . 5.00 203 119 A 11 ASP H A 10 TYR HBx 1.0 . 4.00 204 119 A 11 ASP H A 10 TYR HBy 1.0 . 4.00 205 120 A 5 LEU H A 5 LEU HG 1.0 . 4.00 206 121 A 5 LEU H A 4 TYR HBx 1.0 . 3.50 207 121 A 5 LEU H A 4 TYR HBy 1.0 . 3.50 208 122 A 5 LEU H A 5 LEU HB2 1.0 . 3.50 209 122 A 5 LEU HBy A 5 LEU H 1.0 . 3.50 210 123 A 5 LEU H A 8 GLU HB2 1.0 . 5.00 211 123 A 8 GLU HBy A 5 LEU H 1.0 . 5.00 212 124 A 5 LEU H A 6 GLN HBx 1.0 . 5.00 213 124 A 6 GLN HB3 A 5 LEU H 1.0 . 5.00 214 125 A 5 LEU H A 4 TYR H 1.0 . 4.00 215 126 A 19 PRO HA A 21 PHE H 1.0 . 5.00 216 127 A 21 PHE H A 22 GLY HAy 1.0 . 4.50 217 127 A 21 PHE H A 22 GLY HAx 1.0 . 4.50 218 128 A 21 PHE H A 21 PHE HB3 1.0 . 3.00 219 128 A 21 PHE H A 21 PHE HBx 1.0 . 3.00 220 129 A 6 GLN H A 5 LEU H 1.0 . 3.50 221 130 A 6 GLN H A 6 GLN HGy 1.0 . 4.50 222 130 A 6 GLN H A 6 GLN HGx 1.0 . 4.50 223 131 A 6 GLN H A 6 GLN HBx 1.0 . 3.00 224 131 A 6 GLN HB3 A 6 GLN H 1.0 . 3.00 225 132 A 4 TYR H A 4 TYR HBx 1.0 . 3.50 226 132 A 4 TYR HBy A 4 TYR H 1.0 . 3.50 227 133 A 8 GLU H A 5 LEU HA 1.0 . 5.00 228 134 A 22 GLY H A 22 GLY HAy 1.0 . 4.00 229 134 A 22 GLY H A 22 GLY HAx 1.0 . 4.00 230 135 A 12 VAL H A 10 TYR H 1.0 . 4.50 231 136 A 10 TYR HE% A 10 TYR H 1.0 . 4.50 232 137 A 22 GLY H A 22 GLY HAy 1.0 . 3.50 233 137 A 22 GLY H A 22 GLY HAx 1.0 . 3.50 234 138 A 13 MET H A 13 MET HB2 1.0 . 3.00 235 138 A 13 MET HBy A 13 MET H 1.0 . 3.00 236 139 A 12 VAL HB A 13 MET H 1.0 . 3.50 237 140 A 7 THR HG2% A 10 TYR H 1.0 . 5.00 238 141 A 20 GLU H A 20 GLU HB2 1.0 . 3.00 239 141 A 20 GLU HBy A 20 GLU H 1.0 . 3.00 240 142 A 14 THR HB A 14 THR H 1.0 . 3.50 241 143 A 17 SER H A 16 ILE HB 1.0 . 4.00 242 144 A 17 SER H A 17 SER HBy 1.0 . 4.00 243 144 A 17 SER H A 17 SER HBx 1.0 . 4.00 244 145 A 17 SER H A 13 MET HE% 1.0 . 5.00 245 146 A 15 VAL H A 14 THR H 1.0 . 3.50 246 147 A 14 THR H A 14 THR HG1 1.0 . 5.00 247 148 A 16 ILE H A 16 ILE HB 1.0 . 4.00 248 149 A 7 THR H A 8 GLU H 1.0 . 4.00 249 150 A 7 THR H A 6 GLN HGy 1.0 . 5.00 250 150 A 7 THR H A 6 GLN HGx 1.0 . 5.00 251 151 A 7 THR H A 6 GLN HBx 1.0 . 4.00 252 151 A 7 THR H A 6 GLN HB3 1.0 . 4.00 253 152 A 7 THR H A 10 TYR HBx 1.0 . 5.50 254 152 A 7 THR H A 10 TYR HBy 1.0 . 5.50 255 153 A 7 THR H A 5 LEU HA 1.0 . 5.00 256 154 A 7 THR H A 5 LEU H 1.0 . 5.00 257 155 A 7 THR H A 4 TYR HA 1.0 . 4.50 258 156 A 11 ASP H A 9 TYR HA 1.0 . 5.00 259 157 A 11 ASP H A 14 THR HB 1.0 . 5.00 260 158 A 11 ASP H A 11 ASP HBx 1.0 . 4.00 261 158 A 11 ASP H A 11 ASP HBy 1.0 . 4.00 262 159 A 16 ILE H A 17 SER H 1.0 . 3.50 263 160 A 17 SER H A 17 SER HBy 1.0 . 4.00 264 160 A 17 SER H A 17 SER HBx 1.0 . 4.00 265 161 A 17 SER H A 15 VAL HB 1.0 . 5.00 266 162 A 17 SER H A 13 MET HGx 1.0 . 4.50 267 162 A 17 SER H A 13 MET HG3 1.0 . 4.50 268 163 A 16 ILE HG2% A 16 ILE H 1.0 . 4.00 269 164 A 14 THR H A 13 MET HGx 1.0 . 4.00 270 164 A 13 MET HG3 A 14 THR H 1.0 . 4.00 271 165 A 14 THR H A 13 MET HB2 1.0 . 3.50 272 165 A 13 MET HBy A 14 THR H 1.0 . 3.50 273 166 A 14 THR H A 14 THR HG2% 1.0 . 4.50 274 167 A 13 MET HE% A 14 THR H 1.0 . 4.50 275 168 A 16 ILE H A 15 VAL H 1.0 . 3.50 276 169 A 16 ILE H A 13 MET HE% 1.0 . 5.00 277 170 A 16 ILE H A 16 ILE HG1y 1.0 . 4.00 278 170 A 16 ILE H A 16 ILE HG1x 1.0 . 4.00 279 171 A 21 PHE H A 20 GLU H 1.0 . 3.00 280 172 A 21 PHE H A 22 GLY H 1.0 . 3.00 281 173 A 17 SER HA A 20 GLU H 1.0 . 4.50 282 174 A 17 SER H A 20 GLU H 1.0 . 5.50 283 175 A 8 GLU H A 6 GLN H 1.0 . 4.00 284 176 A 6 GLN H A 8 GLU HB2 1.0 . 4.50 285 176 A 8 GLU HBy A 6 GLN H 1.0 . 4.50 286 177 A 6 GLN H A 5 LEU HD1% 1.0 . 4.00 287 177 A 6 GLN H A 5 LEU HD2% 1.0 . 4.00 288 178 A 14 THR H A 13 MET H 1.0 . 3.50 289 179 A 11 ASP H A 13 MET H 1.0 . 4.50 290 180 A 10 TYR HA A 13 MET H 1.0 . 4.00 291 181 A 13 MET H A 10 TYR HBx 1.0 . 5.00 292 181 A 10 TYR HBy A 13 MET H 1.0 . 5.00 293 182 A 13 MET HE% A 13 MET H 1.0 . 4.00 294 183 A 21 PHE HB3 A 22 GLY H 1.0 . 4.50 295 183 A 22 GLY H A 21 PHE HBx 1.0 . 4.50 296 184 A 6 GLN HA A 10 TYR H 1.0 . 5.00 297 185 A 10 TYR H A 10 TYR HBx 1.0 . 3.50 298 185 A 10 TYR HBy A 10 TYR H 1.0 . 3.50 299 186 A 10 TYR H A 9 TYR HBy 1.0 . 4.50 300 186 A 10 TYR H A 9 TYR HBx 1.0 . 4.50 301 187 A 8 GLU H A 9 TYR H 1.0 . 4.00 302 188 A 22 GLY H A 22 GLY HAy 1.0 . 4.00 303 188 A 22 GLY H A 22 GLY HAx 1.0 . 4.00 304 189 A 10 TYR HD% A 10 TYR H 1.0 . 4.00 305 190 A 10 TYR HD% A 13 MET HB2 1.0 . 4.50 306 190 A 10 TYR HD% A 13 MET HBy 1.0 . 4.50 307 191 A 4 TYR H A 5 LEU HD1% 1.0 . 4.50 308 191 A 5 LEU HD2% A 4 TYR H 1.0 . 4.50 309 192 A 4 TYR HBy A 5 LEU HD1% 1.0 . 4.00 310 192 A 4 TYR HBx A 5 LEU HD1% 1.0 . 4.00 311 192 A 5 LEU HD2% A 4 TYR HBx 1.0 . 4.00 312 192 A 4 TYR HBy A 5 LEU HD2% 1.0 . 4.00 313 193 A 5 LEU H A 5 LEU HD2% 1.0 . 3.00 314 193 A 5 LEU H A 5 LEU HD1% 1.0 . 3.00 315 194 A 5 LEU HA A 5 LEU HD1% 1.0 . 3.00 316 194 A 5 LEU HA A 5 LEU HD2% 1.0 . 3.00 317 195 A 5 LEU HD1% A 6 GLN HBx 1.0 . 5.00 318 195 A 5 LEU HD2% A 6 GLN HBx 1.0 . 5.00 319 195 A 6 GLN HB3 A 5 LEU HD1% 1.0 . 5.00 320 195 A 6 GLN HB3 A 5 LEU HD2% 1.0 . 5.00 321 196 A 7 THR H A 5 LEU HD1% 1.0 . 5.50 322 196 A 7 THR H A 5 LEU HD2% 1.0 . 5.50 323 197 A 7 THR HG2% A 5 LEU HD1% 1.0 . 5.00 324 197 A 7 THR HG2% A 5 LEU HD2% 1.0 . 5.00 325 198 A 8 GLU H A 5 LEU HD1% 1.0 . 5.00 326 198 A 8 GLU H A 5 LEU HD2% 1.0 . 5.00 327 199 A 5 LEU HD2% A 9 TYR HBy 1.0 . 4.50 328 199 A 5 LEU HD1% A 9 TYR HBy 1.0 . 4.50 329 199 A 9 TYR HBx A 5 LEU HD1% 1.0 . 4.50 330 199 A 5 LEU HD2% A 9 TYR HBx 1.0 . 4.50 331 200 A 9 TYR HD% A 5 LEU HD1% 1.0 . 4.50 332 200 A 5 LEU HD2% A 9 TYR HD% 1.0 . 4.50 333 201 A 6 GLN HA A 9 TYR HBy 1.0 . 3.50 334 201 A 6 GLN HA A 9 TYR HBx 1.0 . 3.50 335 202 A 9 TYR H A 9 TYR HBy 1.0 . 3.50 336 202 A 9 TYR H A 9 TYR HBx 1.0 . 3.50 337 203 A 10 TYR H A 9 TYR HBy 1.0 . 3.50 338 203 A 10 TYR H A 9 TYR HBx 1.0 . 3.50 339 204 A 13 MET HG3 A 16 ILE HB 1.0 . 5.00 340 204 A 16 ILE HB A 13 MET HGx 1.0 . 5.00 341 205 A 13 MET HG3 A 17 SER HG 1.0 . 4.50 342 205 A 17 SER HG A 13 MET HGx 1.0 . 4.50 343 206 A 13 MET HE% A 16 ILE HB 1.0 . 4.00 344 207 A 16 ILE HD1% A 13 MET HE% 1.0 . 5.50 345 208 A 13 MET HE% A 17 SER HBx 1.0 . 4.50 346 208 A 13 MET HE% A 17 SER HBy 1.0 . 4.50 347 209 A 14 THR H A 17 SER HBx 1.0 . 5.50 348 209 A 14 THR H A 17 SER HBy 1.0 . 5.50 349 210 A 14 THR HA A 17 SER HBx 1.0 . 4.50 350 210 A 14 THR HA A 17 SER HBy 1.0 . 4.50 351 211 A 16 ILE H A 16 ILE HB 1.0 . 3.50 352 212 A 16 ILE H A 16 ILE HG1y 1.0 . 3.50 353 212 A 16 ILE H A 16 ILE HG1x 1.0 . 3.50 354 213 A 16 ILE HA A 16 ILE HG1y 1.0 . 3.50 355 213 A 16 ILE HA A 16 ILE HG1x 1.0 . 3.50 356 214 A 17 SER H A 16 ILE HB 1.0 . 3.50 357 215 A 17 SER H A 16 ILE HG1y 1.0 . 5.00 358 215 A 17 SER H A 16 ILE HG1x 1.0 . 5.00 359 216 A 19 PRO HGx A 16 ILE HG1y 1.0 . 5.00 360 216 A 16 ILE HG1x A 19 PRO HGx 1.0 . 5.00 361 217 A 17 SER HA A 17 SER HG 1.0 . 3.50 362 218 A 1 TRP HE1 A 1 TRP HBx 1.0 . 5.00 363 218 A 1 TRP HE1 A 1 TRP HB3 1.0 . 5.00 364 219 A 1 TRP HE1 A 1 TRP HZ3 1.0 . 5.00 365 220 A 1 TRP HE1 A 1 TRP HH2 1.0 . 5.00 366 221 A 1 TRP HE1 A 1 TRP HD1 1.0 . 5.00 367 222 A 1 TRP HE1 A 1 TRP HZ2 1.0 . 5.00 368 223 A 1 TRP HE1 A 1 TRP HE3 1.0 . 5.00 369 224 A 1 TRP HE3 A 1 TRP HBx 1.0 . 5.00 370 224 A 1 TRP HB3 A 1 TRP HE3 1.0 . 5.00 371 225 A 1 TRP HZ2 A 1 TRP HBx 1.0 . 5.00 372 225 A 1 TRP HB3 A 1 TRP HZ2 1.0 . 5.00 373 226 A 1 TRP HD1 A 1 TRP HBx 1.0 . 5.00 374 226 A 1 TRP HB3 A 1 TRP HD1 1.0 . 5.00 375 227 A 1 TRP HH2 A 1 TRP HBx 1.0 . 5.00 376 227 A 1 TRP HB3 A 1 TRP HH2 1.0 . 5.00 377 228 A 1 TRP HZ3 A 1 TRP HBx 1.0 . 5.00 378 228 A 1 TRP HB3 A 1 TRP HZ3 1.0 . 5.00 379 229 A 2 ARG H A 2 ARG HA 1.0 . 5.00 380 230 A 2 ARG H A 2 ARG HD2 1.0 . 5.00 381 231 A 2 ARG H A 2 ARG HDy 1.0 . 5.00 382 232 A 2 ARG HA A 2 ARG HD2 1.0 . 5.00 383 233 A 2 ARG HA A 2 ARG HDy 1.0 . 5.00 384 234 A 2 ARG HD2 A 2 ARG HDy 1.0 . 5.00 stop_ save_