data_nef_c25582_2n21 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 2N21 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 start . . 2 A 2 MET middle . . 3 A 3 HIS middle . . 4 A 4 PRO middle . false 5 A 5 GLY middle . false 6 A 6 HIS middle . . 7 A 7 LEU middle . . 8 A 8 LYS middle . . 9 A 9 GLY middle . false 10 A 10 ARG middle . . 11 A 11 GLU middle . . 12 A 12 ILE middle . . 13 A 13 GLY middle . false 14 A 14 MET middle . . 15 A 15 TRP middle . . 16 A 16 TYR middle . . 17 A 17 ALA middle . . 18 A 18 LYS middle . . 19 A 19 LYS middle . . 20 A 20 GLN end . . 21 B 1 DT start . . 22 B 2 DT middle . . 23 B 3 DG middle . . 24 B 4 DG middle . . 25 B 5 DG middle . . 26 B 6 DT middle . . 27 B 7 DG middle . . 28 B 8 DG middle . . 29 B 9 DG middle . . 30 B 10 DT middle . . 31 B 11 DG middle . . 32 B 12 DG middle . . 33 B 13 DG middle . . 34 B 14 DT middle . . 35 B 15 DG middle . . 36 B 16 DG middle . . 37 B 17 DG middle . . 38 B 18 DT 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 3 HIS HA H 1 4.409 . A 3 HIS HB2 H 1 2.898 . A 3 HIS HB3 H 1 3.225 . A 3 HIS HD2 H 1 6.934 . A 3 HIS HE1 H 1 7.854 . A 3 HIS CA C 13 53.098 . A 3 HIS CB C 13 28.867 . A 3 HIS CD2 C 13 129.936 . A 3 HIS CE1 C 13 134.632 . A 4 PRO HA H 1 3.972 . A 4 PRO HB2 H 1 2.153 . A 4 PRO HB3 H 1 2.153 . A 4 PRO HD2 H 1 1.684 . A 4 PRO HD3 H 1 1.684 . A 4 PRO HG2 H 1 1.641 . A 4 PRO HG3 H 1 1.641 . A 4 PRO CA C 13 60.186 . A 4 PRO CB C 13 29.541 . A 4 PRO CD C 13 45.953 . A 4 PRO CG C 13 24.437 . A 5 GLY H H 1 8.315 . A 5 GLY HA2 H 1 3.691 . A 5 GLY HA3 H 1 3.691 . A 5 GLY C C 13 175.807 . A 5 GLY CA C 13 43.979 . A 5 GLY N N 15 107.940 . A 6 HIS H H 1 7.457 . A 6 HIS HA H 1 4.511 . A 6 HIS HB2 H 1 2.795 . A 6 HIS HB3 H 1 3.180 . A 6 HIS HD2 H 1 6.819 . A 6 HIS HE1 H 1 7.584 . A 6 HIS C C 13 171.192 . A 6 HIS CA C 13 53.404 . A 6 HIS CB C 13 27.292 . A 6 HIS CD2 C 13 130.501 . A 6 HIS CE1 C 13 136.175 . A 6 HIS N N 15 114.183 . A 7 LEU H H 1 6.540 . A 7 LEU HA H 1 3.903 . A 7 LEU HB2 H 1 0.575 . A 7 LEU HB3 H 1 1.294 . A 7 LEU HD1% H 1 0.467 . A 7 LEU HD2% H 1 0.432 . A 7 LEU HG H 1 0.721 . A 7 LEU C C 13 172.872 . A 7 LEU CA C 13 51.661 . A 7 LEU CB C 13 39.808 . A 7 LEU CD1 C 13 23.641 . A 7 LEU CD2 C 13 18.553 . A 7 LEU CG C 13 23.515 . A 7 LEU N N 15 121.536 . A 8 LYS H H 1 8.492 . A 8 LYS HA H 1 4.508 . A 8 LYS HB2 H 1 1.532 . A 8 LYS HB3 H 1 1.637 . A 8 LYS HD2 H 1 1.613 . A 8 LYS HD3 H 1 1.613 . A 8 LYS HE2 H 1 2.924 . A 8 LYS HE3 H 1 2.944 . A 8 LYS HG2 H 1 1.369 . A 8 LYS HG3 H 1 1.356 . A 8 LYS C C 13 172.587 . A 8 LYS CA C 13 51.252 . A 8 LYS CB C 13 33.375 . A 8 LYS CD C 13 25.920 . A 8 LYS CE C 13 38.986 . A 8 LYS CG C 13 21.479 . A 8 LYS N N 15 119.261 . A 9 GLY H H 1 8.694 . A 9 GLY HA2 H 1 3.756 . A 9 GLY HA3 H 1 3.756 . A 9 GLY C C 13 174.090 . A 9 GLY CA C 13 43.824 . A 9 GLY N N 15 112.295 . A 10 ARG H H 1 8.798 . A 10 ARG HA H 1 3.036 . A 10 ARG HB2 H 1 1.007 . A 10 ARG HB3 H 1 1.239 . A 10 ARG HD2 H 1 3.000 . A 10 ARG HD3 H 1 3.000 . A 10 ARG HG2 H 1 0.444 . A 10 ARG HG3 H 1 1.300 . A 10 ARG C C 13 171.915 . A 10 ARG CA C 13 55.701 . A 10 ARG CB C 13 26.571 . A 10 ARG CD C 13 40.345 . A 10 ARG CG C 13 24.450 . A 10 ARG N N 15 126.817 . A 11 GLU H H 1 7.453 . A 11 GLU HA H 1 3.640 . A 11 GLU HB2 H 1 1.884 . A 11 GLU HB3 H 1 1.974 . A 11 GLU HG2 H 1 2.098 . A 11 GLU HG3 H 1 2.365 . A 11 GLU C C 13 173.276 . A 11 GLU CA C 13 55.429 . A 11 GLU CB C 13 27.765 . A 11 GLU CG C 13 33.367 . A 11 GLU N N 15 113.440 . A 12 ILE H H 1 7.499 . A 12 ILE HA H 1 2.869 . A 12 ILE HB H 1 0.975 . A 12 ILE HD1% H 1 0.067 . A 12 ILE HG12 H 1 -0.158 . A 12 ILE HG13 H 1 0.655 . A 12 ILE HG2% H 1 -0.246 . A 12 ILE C C 13 176.838 . A 12 ILE CA C 13 62.604 . A 12 ILE CB C 13 34.803 . A 12 ILE CD1 C 13 10.092 . A 12 ILE CG1 C 13 25.819 . A 12 ILE CG2 C 13 12.553 . A 12 ILE N N 15 118.236 . A 13 GLY H H 1 6.135 . A 13 GLY HA2 H 1 4.366 . A 13 GLY HA3 H 1 4.348 . A 13 GLY C C 13 174.111 . A 13 GLY CA C 13 45.606 . A 13 GLY N N 15 104.389 . A 14 MET H H 1 7.977 . A 14 MET HA H 1 3.952 . A 14 MET HB2 H 1 1.647 . A 14 MET HB3 H 1 2.166 . A 14 MET HE% H 1 1.703 . A 14 MET HG2 H 1 1.858 . A 14 MET HG3 H 1 2.537 . A 14 MET CA C 13 53.002 . A 14 MET CB C 13 30.242 . A 14 MET CE C 13 15.852 . A 14 MET CG C 13 30.178 . A 14 MET N N 15 114.865 . A 15 TRP H H 1 7.489 . A 15 TRP HA H 1 3.725 . A 15 TRP HB2 H 1 2.698 . A 15 TRP HB3 H 1 2.950 . A 15 TRP HE1 H 1 10.107 . A 15 TRP HE3 H 1 6.857 . A 15 TRP HH2 H 1 6.834 . A 15 TRP HZ2 H 1 7.221 . A 15 TRP HZ3 H 1 6.377 . A 15 TRP C C 13 175.377 . A 15 TRP CA C 13 59.311 . A 15 TRP CB C 13 25.410 . A 15 TRP CE3 C 13 115.069 . A 15 TRP CH2 C 13 120.991 . A 15 TRP CZ2 C 13 111.157 . A 15 TRP CZ3 C 13 119.615 . A 15 TRP N N 15 122.784 . A 16 TYR HE1 H 1 6.655 . A 16 TYR HE2 H 1 6.655 . A 16 TYR CE1 C 13 116.525 . A 16 TYR CE2 C 13 116.525 . A 17 ALA HA H 1 3.773 . A 17 ALA HB% H 1 0.696 . A 17 ALA CA C 13 51.092 . A 17 ALA CB C 13 15.083 . A 18 LYS H H 1 7.246 . A 18 LYS HA H 1 4.002 . A 18 LYS HB2 H 1 1.583 . A 18 LYS HB3 H 1 1.583 . A 18 LYS HD2 H 1 1.569 . A 18 LYS HD3 H 1 1.569 . A 18 LYS HE2 H 1 2.687 . A 18 LYS HE3 H 1 2.687 . A 18 LYS HG2 H 1 1.261 . A 18 LYS HG3 H 1 1.261 . A 18 LYS C C 13 175.108 . A 18 LYS CA C 13 52.995 . A 18 LYS CB C 13 28.686 . A 18 LYS CD C 13 25.826 . A 18 LYS CE C 13 38.913 . A 18 LYS CG C 13 21.532 . A 18 LYS N N 15 115.668 . A 19 LYS H H 1 7.841 . A 19 LYS HA H 1 3.858 . A 19 LYS HB2 H 1 1.542 . A 19 LYS HB3 H 1 1.542 . A 19 LYS HD2 H 1 1.483 . A 19 LYS HD3 H 1 1.483 . A 19 LYS HE2 H 1 2.807 . A 19 LYS HE3 H 1 2.807 . A 19 LYS HG2 H 1 1.215 . A 19 LYS HG3 H 1 1.215 . A 19 LYS C C 13 172.881 . A 19 LYS CA C 13 53.325 . A 19 LYS CB C 13 29.238 . A 19 LYS CD C 13 25.398 . A 19 LYS CE C 13 39.354 . A 19 LYS CG C 13 21.511 . A 19 LYS N N 15 121.064 . A 20 GLN H H 1 7.699 . A 20 GLN HA H 1 3.935 . A 20 GLN C C 13 172.759 . A 20 GLN CA C 13 53.213 . A 20 GLN CB C 13 26.879 . A 20 GLN N N 15 125.683 . 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 3 HIS HA A 3 HIS HB2 1.0 1.8 4.5 2 1 A 3 HIS HA A 3 HIS HB3 1.0 1.8 4.5 3 2 A 4 PRO HA A 6 HIS H 1.0 2.0 5.0 4 3 A 4 PRO HA A 7 LEU HD2% 1.0 2.0 6.0 5 4 A 4 PRO HA A 6 HIS HE1 1.0 3.0 7.0 6 5 A 4 PRO HB3 A 4 PRO HD2 1.0 1.8 5.0 7 5 A 4 PRO HB2 A 4 PRO HD2 1.0 1.8 5.0 8 5 A 4 PRO HD3 A 4 PRO HB2 1.0 1.8 5.0 9 5 A 4 PRO HB3 A 4 PRO HD3 1.0 1.8 5.0 10 6 A 4 PRO HB3 A 4 PRO HG2 1.0 1.8 5.0 11 6 A 4 PRO HB2 A 4 PRO HG2 1.0 1.8 5.0 12 6 A 4 PRO HG3 A 4 PRO HB2 1.0 1.8 5.0 13 6 A 4 PRO HB3 A 4 PRO HG3 1.0 1.8 5.0 14 7 A 5 GLY H A 4 PRO HB2 1.0 2.5 7.0 15 7 A 4 PRO HB3 A 5 GLY H 1.0 2.5 7.0 16 8 A 6 HIS HE1 A 4 PRO HB2 1.0 2.0 6.0 17 8 A 6 HIS HE1 A 4 PRO HB3 1.0 2.0 6.0 18 9 A 7 LEU HD2% A 4 PRO HB2 1.0 2.0 6.0 19 9 A 7 LEU HD2% A 4 PRO HB3 1.0 2.0 6.0 20 10 A 7 LEU HD2% A 4 PRO HD2 1.0 2.0 5.5 21 10 A 7 LEU HD2% A 4 PRO HD3 1.0 2.0 5.5 22 11 A 15 TRP HE1 A 4 PRO HD2 1.0 2.5 7.0 23 11 A 4 PRO HD3 A 15 TRP HE1 1.0 2.5 7.0 24 12 A 15 TRP HZ2 A 4 PRO HD2 1.0 2.0 7.0 25 12 A 4 PRO HD3 A 15 TRP HZ2 1.0 2.0 7.0 26 13 A 7 LEU HD2% A 4 PRO HG2 1.0 2.0 6.0 27 13 A 7 LEU HD2% A 4 PRO HG3 1.0 2.0 6.0 28 14 A 15 TRP HE1 A 4 PRO HG2 1.0 2.0 7.5 29 14 A 4 PRO HG3 A 15 TRP HE1 1.0 2.0 7.5 30 15 A 15 TRP H A 4 PRO HG2 1.0 2.0 7.0 31 15 A 4 PRO HG3 A 15 TRP H 1.0 2.0 7.0 32 16 A 5 GLY H A 5 GLY HA2 1.0 1.8 4.5 33 16 A 5 GLY H A 5 GLY HA3 1.0 1.8 4.5 34 17 A 7 LEU H A 5 GLY HA2 1.0 2.0 6.0 35 17 A 5 GLY HA3 A 7 LEU H 1.0 2.0 6.0 36 18 A 6 HIS HA A 6 HIS HD2 1.0 2.5 6.5 37 19 A 6 HIS HE1 A 6 HIS HA 1.0 2.5 6.5 38 20 A 6 HIS HA A 6 HIS HB3 1.0 1.8 4.0 39 21 A 6 HIS HA A 6 HIS HB2 1.0 1.8 4.0 40 22 A 6 HIS HD2 A 6 HIS HB3 1.0 1.8 4.0 41 23 A 6 HIS HD2 A 6 HIS HB2 1.0 1.8 4.0 42 24 A 6 HIS HE1 A 6 HIS HB3 1.0 2.0 5.5 43 25 A 6 HIS HE1 A 6 HIS HB2 1.0 2.0 5.5 44 26 A 6 HIS HB3 A 7 LEU HD1% 1.0 2.5 6.5 45 27 A 6 HIS HB2 A 7 LEU HD1% 1.0 2.5 6.5 46 28 A 7 LEU H A 7 LEU HA 1.0 2.0 5.5 47 29 A 7 LEU HA A 8 LYS H 1.0 1.8 4.0 48 30 A 7 LEU HA A 7 LEU HB3 1.0 2.0 5.5 49 31 A 7 LEU HA A 7 LEU HB2 1.0 2.0 5.5 50 32 A 7 LEU HD1% A 7 LEU HA 1.0 2.0 6.0 51 33 A 7 LEU HD2% A 7 LEU HA 1.0 2.0 6.0 52 34 A 7 LEU H A 7 LEU HB3 1.0 1.8 4.0 53 35 A 7 LEU H A 7 LEU HB2 1.0 1.8 4.0 54 36 A 8 LYS H A 7 LEU HB3 1.0 2.0 5.5 55 37 A 8 LYS H A 7 LEU HB2 1.0 2.0 5.5 56 38 A 7 LEU H A 7 LEU HD1% 1.0 2.0 6.0 57 39 A 7 LEU HD1% A 12 ILE H 1.0 2.5 7.0 58 40 A 7 LEU HD2% A 7 LEU H 1.0 1.8 5.0 59 41 A 7 LEU HD2% A 8 LYS H 1.0 2.0 6.0 60 42 A 7 LEU HD2% A 12 ILE H 1.0 2.0 6.0 61 43 A 7 LEU H A 7 LEU HG 1.0 1.8 4.5 62 44 A 8 LYS H A 7 LEU HG 1.0 2.0 5.5 63 45 A 12 ILE H A 7 LEU HG 1.0 2.5 6.5 64 46 A 7 LEU H A 8 LYS H 1.0 2.5 6.5 65 47 A 8 LYS H A 9 GLY H 1.0 2.0 5.5 66 48 A 8 LYS H A 11 GLU H 1.0 2.0 5.5 67 49 A 8 LYS HA A 8 LYS HB3 1.0 2.0 5.5 68 50 A 8 LYS HA A 8 LYS HB2 1.0 2.0 5.5 69 51 A 8 LYS HA A 9 GLY HA2 1.0 2.0 6.0 70 51 A 8 LYS HA A 9 GLY HA3 1.0 2.0 6.0 71 52 A 9 GLY H A 8 LYS HA 1.0 2.0 5.5 72 53 A 8 LYS HA A 12 ILE HD1% 1.0 2.0 6.0 73 54 A 8 LYS HB3 A 9 GLY HA2 1.0 2.0 6.0 74 54 A 8 LYS HB3 A 9 GLY HA3 1.0 2.0 6.0 75 55 A 8 LYS HB2 A 9 GLY HA2 1.0 2.0 6.0 76 55 A 8 LYS HB2 A 9 GLY HA3 1.0 2.0 6.0 77 56 A 9 GLY H A 8 LYS HB3 1.0 2.0 5.5 78 57 A 9 GLY H A 8 LYS HB2 1.0 2.0 5.5 79 58 A 8 LYS HA A 8 LYS HD2 1.0 2.0 6.0 80 58 A 8 LYS HA A 8 LYS HD3 1.0 2.0 6.0 81 59 A 9 GLY H A 8 LYS HD2 1.0 2.0 7.0 82 59 A 9 GLY H A 8 LYS HD3 1.0 2.0 7.0 83 60 A 8 LYS HA A 8 LYS HG2 1.0 2.0 6.0 84 60 A 8 LYS HA A 8 LYS HG3 1.0 2.0 6.0 85 61 A 8 LYS HE3 A 8 LYS HG2 1.0 2.0 6.0 86 61 A 8 LYS HE2 A 8 LYS HG2 1.0 2.0 6.0 87 61 A 8 LYS HG3 A 8 LYS HE2 1.0 2.0 6.0 88 61 A 8 LYS HG3 A 8 LYS HE3 1.0 2.0 6.0 89 62 A 8 LYS H A 8 LYS HG2 1.0 2.0 6.0 90 62 A 8 LYS H A 8 LYS HG3 1.0 2.0 6.0 91 63 A 9 GLY H A 8 LYS HG2 1.0 2.0 6.0 92 63 A 9 GLY H A 8 LYS HG3 1.0 2.0 6.0 93 64 A 9 GLY H A 10 ARG H 1.0 1.8 4.5 94 65 A 9 GLY H A 12 ILE HG13 1.0 2.0 7.0 95 65 A 9 GLY H A 12 ILE HG12 1.0 2.0 7.0 96 66 A 9 GLY H A 12 ILE HD1% 1.0 2.0 7.0 97 67 A 8 LYS HG3 A 9 GLY HA2 1.0 2.5 7.0 98 67 A 8 LYS HG2 A 9 GLY HA2 1.0 2.5 7.0 99 67 A 9 GLY HA3 A 8 LYS HG2 1.0 2.5 7.0 100 67 A 9 GLY HA3 A 8 LYS HG3 1.0 2.5 7.0 101 68 A 10 ARG H A 9 GLY HA2 1.0 1.8 4.5 102 68 A 9 GLY HA3 A 10 ARG H 1.0 1.8 4.5 103 69 A 10 ARG H A 8 LYS HD2 1.0 2.0 6.0 104 69 A 8 LYS HD3 A 10 ARG H 1.0 2.0 6.0 105 70 A 10 ARG H A 10 ARG HB3 1.0 2.5 7.0 106 71 A 10 ARG H A 10 ARG HB2 1.0 2.5 7.0 107 72 A 11 GLU H A 10 ARG H 1.0 1.8 4.0 108 73 A 10 ARG H A 10 ARG HA 1.0 1.8 4.0 109 74 A 10 ARG HA A 10 ARG HG3 1.0 2.0 5.5 110 75 A 10 ARG HA A 10 ARG HG2 1.0 2.0 5.5 111 76 A 12 ILE H A 10 ARG HA 1.0 2.0 5.5 112 77 A 10 ARG HA A 13 GLY H 1.0 2.0 5.5 113 78 A 10 ARG HB3 A 9 GLY HA2 1.0 2.0 7.0 114 78 A 9 GLY HA3 A 10 ARG HB3 1.0 2.0 7.0 115 79 A 10 ARG HB2 A 9 GLY HA2 1.0 2.0 7.0 116 79 A 9 GLY HA3 A 10 ARG HB2 1.0 2.0 7.0 117 80 A 10 ARG H A 10 ARG HB3 1.0 2.0 5.0 118 81 A 10 ARG H A 10 ARG HB2 1.0 2.0 5.0 119 82 A 10 ARG HB3 A 10 ARG HD2 1.0 1.8 4.5 120 82 A 10 ARG HB3 A 10 ARG HD3 1.0 1.8 4.5 121 83 A 10 ARG HB2 A 10 ARG HD2 1.0 1.8 4.5 122 83 A 10 ARG HB2 A 10 ARG HD3 1.0 1.8 4.5 123 84 A 10 ARG HB3 A 10 ARG HG3 1.0 2.0 5.5 124 85 A 10 ARG HB2 A 10 ARG HG2 1.0 2.0 5.5 125 86 A 10 ARG HB3 A 13 GLY H 1.0 2.0 7.0 126 87 A 10 ARG HB2 A 13 GLY H 1.0 2.0 7.0 127 88 A 10 ARG H A 10 ARG HG3 1.0 2.0 5.5 128 89 A 10 ARG H A 10 ARG HG2 1.0 2.0 5.5 129 90 A 11 GLU H A 10 ARG HG3 1.0 2.0 6.5 130 91 A 11 GLU H A 10 ARG HG2 1.0 2.0 6.5 131 92 A 10 ARG H A 10 ARG HD2 1.0 2.0 6.5 132 92 A 10 ARG H A 10 ARG HD3 1.0 2.0 6.5 133 93 A 9 GLY H A 11 GLU H 1.0 2.0 5.5 134 94 A 11 GLU H A 11 GLU HA 1.0 2.0 5.5 135 95 A 12 ILE H A 11 GLU HA 1.0 2.0 5.5 136 96 A 8 LYS H A 11 GLU HB3 1.0 2.0 5.5 137 97 A 8 LYS H A 11 GLU HB2 1.0 2.0 5.5 138 98 A 11 GLU H A 11 GLU HB3 1.0 2.0 5.5 139 99 A 11 GLU H A 11 GLU HB2 1.0 2.0 5.5 140 100 A 12 ILE H A 13 GLY H 1.0 2.0 5.5 141 101 A 8 LYS H A 12 ILE HG2% 1.0 2.5 7.0 142 102 A 9 GLY H A 12 ILE HG2% 1.0 2.5 7.0 143 103 A 10 ARG H A 12 ILE HG2% 1.0 2.5 7.0 144 104 A 12 ILE HG2% A 13 GLY HA2 1.0 2.5 7.5 145 105 A 14 MET H A 13 GLY HA3 1.0 2.0 6.5 146 106 A 13 GLY H A 13 GLY HA3 1.0 1.8 4.0 147 107 A 13 GLY H A 13 GLY HA2 1.0 1.8 4.0 148 108 A 14 MET H A 13 GLY HA2 1.0 2.0 7.0 149 108 A 14 MET H A 13 GLY HA3 1.0 2.0 7.0 150 109 A 14 MET H A 14 MET HG3 1.0 2.0 5.5 151 110 A 14 MET H A 14 MET HG2 1.0 2.0 5.5 152 111 A 14 MET H A 14 MET HA 1.0 1.8 4.0 153 112 A 10 ARG HG2 A 14 MET HG3 1.0 2.5 6.5 154 113 A 10 ARG HG2 A 14 MET HG2 1.0 2.5 6.5 155 114 A 15 TRP H A 12 ILE HA 1.0 2.0 5.5 156 115 A 7 LEU HD2% A 15 TRP H 1.0 2.0 6.0 157 116 A 15 TRP H A 15 TRP HA 1.0 1.8 4.0 158 117 A 15 TRP HA A 4 PRO HG2 1.0 2.0 6.0 159 117 A 4 PRO HG3 A 15 TRP HA 1.0 2.0 6.0 160 118 A 15 TRP H A 15 TRP HB3 1.0 1.8 4.0 161 119 A 15 TRP H A 15 TRP HB2 1.0 1.8 4.0 162 120 A 12 ILE HG12 A 16 TYR HE% 1.0 2.5 7.0 163 121 A 17 ALA HA A 18 LYS H 1.0 1.8 4.0 164 122 A 17 ALA HA A 19 LYS H 1.0 1.8 4.0 165 123 A 18 LYS H A 17 ALA HB% 1.0 1.8 4.5 166 124 A 19 LYS H A 17 ALA HB% 1.0 1.8 4.5 167 125 A 20 GLN HA A 20 GLN H 1.0 1.8 4.5 168 126 A 20 GLN HA A 19 LYS HD2 1.0 2.0 7.0 169 126 A 20 GLN HA A 19 LYS HD3 1.0 2.0 7.0 170 127 B 1 DT H1' B 1 DT H6 1.0 3.0 5.0 171 128 B 1 DT H6 B 1 DT H2'' 1.0 2.5 5.0 172 129 B 1 DT H2'' B 2 DT H6 1.0 2.5 5.0 173 130 B 1 DT H6 B 1 DT H2' 1.0 1.0 3.0 174 131 B 1 DT H6 B 1 DT H3' 1.0 2.5 5.0 175 132 B 2 DT H6 B 1 DT H3' 1.0 2.5 5.0 176 133 B 1 DT H6 B 1 DT H4' 1.0 4.0 7.0 177 134 B 1 DT H6 B 1 DT H5' 1.0 2.5 5.0 178 134 B 1 DT H6 B 1 DT H5'' 1.0 2.5 5.0 179 135 B 2 DT H6 B 2 DT H1' 1.0 3.0 5.0 180 136 B 2 DT H6 B 2 DT H2'' 1.0 2.5 5.0 181 137 B 2 DT H6 B 2 DT H2' 1.0 1.0 3.0 182 138 B 2 DT H6 B 2 DT H3' 1.0 2.0 6.0 183 139 B 3 DG H1' B 3 DG H8 1.0 2.5 5.0 184 140 B 3 DG H1' B 4 DG H8 1.0 2.5 5.0 185 141 B 3 DG H8 B 3 DG H2'' 1.0 2.5 5.0 186 142 B 4 DG H8 B 3 DG H2'' 1.0 2.5 5.0 187 143 B 3 DG H8 B 3 DG H2' 1.0 1.0 3.0 188 144 B 4 DG H8 B 3 DG H2' 1.0 2.5 5.0 189 145 B 3 DG H1' B 3 DG H3' 1.0 2.5 5.0 190 146 B 3 DG H8 B 3 DG H3' 1.0 2.5 5.0 191 147 B 4 DG H8 B 3 DG H3' 1.0 4.0 7.0 192 148 B 3 DG H8 B 3 DG H4' 1.0 4.0 7.0 193 149 B 3 DG H8 B 3 DG H5'' 1.0 2.5 5.0 194 150 B 3 DG H8 B 3 DG H5' 1.0 2.5 5.0 195 151 B 4 DG H8 B 4 DG H1' 1.0 2.5 5.0 196 152 B 4 DG H1' B 5 DG H8 1.0 2.5 5.0 197 153 B 3 DG H1' B 4 DG H2'' 1.0 4.0 7.0 198 154 B 4 DG H8 B 4 DG H2'' 1.0 2.5 5.0 199 155 B 5 DG H8 B 4 DG H2'' 1.0 2.5 5.0 200 156 B 4 DG H8 B 4 DG H2' 1.0 2.5 5.0 201 157 B 4 DG H8 B 4 DG H3' 1.0 2.5 5.0 202 158 B 5 DG H8 B 4 DG H3' 1.0 4.0 7.0 203 159 B 4 DG H8 B 4 DG H4' 1.0 4.0 7.0 204 160 B 5 DG H8 B 4 DG H4' 1.0 4.0 7.0 205 161 B 3 DG H1' B 4 DG H5'' 1.0 2.5 5.5 206 162 B 4 DG H1' B 4 DG H5'' 1.0 4.0 7.0 207 163 B 4 DG H3' B 4 DG H5'' 1.0 2.5 5.0 208 164 B 4 DG H8 B 4 DG H5'' 1.0 4.0 7.0 209 165 B 3 DG H1' B 4 DG H5' 1.0 2.5 5.5 210 166 B 4 DG H1' B 4 DG H5' 1.0 4.0 7.0 211 167 B 4 DG H3' B 4 DG H5' 1.0 2.5 5.0 212 168 B 4 DG H8 B 4 DG H5' 1.0 4.0 7.0 213 169 B 3 DG H8 B 4 DG H8 1.0 2.5 5.0 214 170 B 5 DG H8 B 5 DG H1' 1.0 2.5 5.0 215 171 B 5 DG H8 B 5 DG H2'' 1.0 2.5 5.0 216 172 B 5 DG H8 B 5 DG H2' 1.0 1.0 3.0 217 173 B 5 DG H8 B 5 DG H3' 1.0 4.0 7.0 218 174 B 4 DG H1' B 5 DG H4' 1.0 4.0 7.0 219 175 B 5 DG H8 B 5 DG H4' 1.0 4.0 7.0 220 176 B 4 DG H1' B 5 DG H5'' 1.0 2.5 5.5 221 177 B 5 DG H1' B 5 DG H5'' 1.0 4.0 7.0 222 178 B 5 DG H8 B 5 DG H5'' 1.0 4.0 7.0 223 179 B 4 DG H1' B 5 DG H5' 1.0 2.5 5.5 224 180 B 5 DG H1' B 5 DG H5' 1.0 4.0 7.0 225 181 B 5 DG H8 B 5 DG H5' 1.0 4.0 7.0 226 182 B 6 DT H2'' B 6 DT H6 1.0 2.5 5.0 227 183 B 5 DG H5'' B 6 DT H2' 1.0 4.0 7.0 228 184 B 5 DG H5' B 6 DT H2' 1.0 4.0 7.0 229 185 B 6 DT H6 B 6 DT H2' 1.0 1.0 3.0 230 186 B 5 DG H4' B 6 DT H3' 1.0 2.5 5.0 231 187 B 6 DT H6 B 6 DT H3' 1.0 2.5 5.0 232 188 B 6 DT H4' B 6 DT H1' 1.0 2.5 5.0 233 189 B 6 DT H6 B 6 DT H4' 1.0 4.0 7.0 234 190 B 6 DT H6 B 6 DT H5' 1.0 2.5 5.0 235 190 B 6 DT H6 B 6 DT H5'' 1.0 2.5 5.0 236 191 B 7 DG H1' B 7 DG H8 1.0 2.5 5.0 237 192 B 7 DG H1' B 8 DG H8 1.0 2.5 5.0 238 193 B 7 DG H8 B 7 DG H2'' 1.0 4.0 7.0 239 194 B 8 DG H8 B 7 DG H2'' 1.0 2.5 5.0 240 195 B 7 DG H8 B 7 DG H2' 1.0 2.5 5.0 241 196 B 8 DG H8 B 7 DG H2' 1.0 2.5 5.0 242 197 B 7 DG H8 B 7 DG H3' 1.0 4.0 7.0 243 198 B 8 DG H8 B 7 DG H3' 1.0 4.0 7.0 244 199 B 7 DG H1' B 7 DG H4' 1.0 2.5 5.0 245 200 B 7 DG H8 B 7 DG H4' 1.0 4.0 7.0 246 201 B 7 DG H8 B 7 DG H5'' 1.0 2.0 4.0 247 202 B 7 DG H8 B 7 DG H5' 1.0 2.0 4.0 248 203 B 8 DG H8 B 8 DG H1' 1.0 2.5 5.0 249 204 B 8 DG H1' B 9 DG H8 1.0 2.5 5.0 250 205 B 9 DG H8 B 8 DG H2'' 1.0 2.5 5.0 251 206 B 8 DG H8 B 8 DG H2' 1.0 2.5 5.0 252 207 B 8 DG H8 B 8 DG H3' 1.0 2.5 5.0 253 208 B 9 DG H8 B 8 DG H3' 1.0 4.0 7.0 254 209 B 7 DG H1' B 8 DG H4' 1.0 4.0 7.0 255 210 B 8 DG H1' B 8 DG H4' 1.0 2.5 5.0 256 211 B 8 DG H8 B 8 DG H4' 1.0 4.0 7.0 257 212 B 7 DG H1' B 8 DG H5'' 1.0 4.0 7.0 258 213 B 8 DG H8 B 8 DG H5'' 1.0 4.0 7.0 259 214 B 7 DG H1' B 8 DG H5' 1.0 4.0 7.0 260 215 B 8 DG H8 B 8 DG H5' 1.0 4.0 7.0 261 216 B 9 DG H8 B 9 DG H1' 1.0 4.0 7.0 262 217 B 9 DG H8 B 9 DG H2'' 1.0 2.5 5.0 263 218 B 9 DG H8 B 9 DG H2' 1.0 1.0 3.0 264 219 B 9 DG H8 B 9 DG H3' 1.0 4.0 7.0 265 220 B 8 DG H1' B 9 DG H4' 1.0 4.0 7.0 266 221 B 9 DG H1' B 9 DG H4' 1.0 2.5 5.0 267 222 B 9 DG H8 B 9 DG H4' 1.0 4.0 7.0 268 223 B 8 DG H1' B 9 DG H5'' 1.0 2.5 5.5 269 224 B 9 DG H8 B 9 DG H5'' 1.0 4.0 7.0 270 225 B 8 DG H1' B 9 DG H5' 1.0 2.5 5.5 271 226 B 9 DG H8 B 9 DG H5' 1.0 4.0 7.0 272 227 B 10 DT H1' B 10 DT H6 1.0 3.0 5.0 273 228 B 10 DT H6 B 10 DT H2'' 1.0 2.5 5.0 274 229 B 9 DG H5'' B 10 DT H2' 1.0 4.0 7.0 275 230 B 9 DG H5' B 10 DT H2' 1.0 4.0 7.0 276 231 B 10 DT H6 B 10 DT H2' 1.0 1.0 3.0 277 232 B 9 DG H4' B 10 DT H3' 1.0 2.5 5.0 278 233 B 10 DT H6 B 10 DT H3' 1.0 2.5 5.0 279 234 B 10 DT H1' B 10 DT H4' 1.0 2.5 5.0 280 235 B 10 DT H6 B 10 DT H4' 1.0 4.0 7.0 281 236 B 10 DT H6 B 10 DT H5' 1.0 2.5 5.0 282 236 B 10 DT H6 B 10 DT H5'' 1.0 2.5 5.0 283 237 B 11 DG H1' B 11 DG H8 1.0 2.5 5.0 284 238 B 11 DG H1' B 12 DG H8 1.0 2.5 5.0 285 239 B 11 DG H8 B 11 DG H2'' 1.0 2.5 5.0 286 240 B 12 DG H8 B 11 DG H2'' 1.0 2.5 5.0 287 241 B 11 DG H8 B 11 DG H2' 1.0 2.5 5.0 288 242 B 12 DG H8 B 11 DG H2' 1.0 2.5 5.0 289 243 B 11 DG H8 B 11 DG H3' 1.0 2.5 5.0 290 244 B 12 DG H8 B 11 DG H3' 1.0 2.5 5.0 291 245 B 11 DG H1' B 11 DG H4' 1.0 2.5 5.0 292 246 B 11 DG H8 B 11 DG H4' 1.0 4.0 7.0 293 247 B 11 DG H8 B 11 DG H5'' 1.0 2.0 4.0 294 248 B 11 DG H8 B 11 DG H5' 1.0 2.0 4.0 295 249 B 12 DG H8 B 12 DG H1' 1.0 4.0 7.0 296 250 B 12 DG H1' B 13 DG H8 1.0 2.5 5.0 297 251 B 12 DG H8 B 12 DG H2'' 1.0 2.5 5.0 298 252 B 13 DG H8 B 12 DG H2'' 1.0 2.5 5.0 299 253 B 12 DG H8 B 12 DG H2' 1.0 2.5 5.0 300 254 B 12 DG H8 B 12 DG H3' 1.0 4.0 7.0 301 255 B 13 DG H8 B 12 DG H3' 1.0 4.0 7.0 302 256 B 12 DG H1' B 12 DG H4' 1.0 2.5 5.0 303 257 B 12 DG H8 B 12 DG H4' 1.0 4.0 7.0 304 258 B 11 DG H1' B 12 DG H5'' 1.0 4.0 7.0 305 259 B 12 DG H1' B 12 DG H5'' 1.0 4.0 7.0 306 260 B 12 DG H8 B 12 DG H5'' 1.0 4.0 7.0 307 261 B 11 DG H1' B 12 DG H5' 1.0 4.0 7.0 308 262 B 12 DG H8 B 12 DG H5' 1.0 4.0 7.0 309 263 B 13 DG H8 B 13 DG H1' 1.0 2.5 5.0 310 264 B 13 DG H8 B 13 DG H2'' 1.0 2.5 5.0 311 265 B 13 DG H8 B 13 DG H2' 1.0 2.5 5.0 312 266 B 13 DG H8 B 13 DG H3' 1.0 4.0 7.0 313 267 B 12 DG H1' B 13 DG H4' 1.0 4.0 7.0 314 268 B 13 DG H1' B 13 DG H4' 1.0 2.5 5.0 315 269 B 13 DG H8 B 13 DG H4' 1.0 4.0 7.0 316 270 B 12 DG H1' B 13 DG H5'' 1.0 2.5 5.5 317 271 B 13 DG H8 B 13 DG H5'' 1.0 4.0 7.0 318 272 B 12 DG H1' B 13 DG H5' 1.0 2.5 5.5 319 273 B 13 DG H8 B 13 DG H5' 1.0 4.0 7.0 320 274 B 14 DT H1' B 14 DT H6 1.0 3.0 5.0 321 275 B 14 DT H6 B 14 DT H2'' 1.0 2.5 5.0 322 276 B 13 DG H5'' B 14 DT H2' 1.0 4.0 7.0 323 277 B 13 DG H5' B 14 DT H2' 1.0 4.0 7.0 324 278 B 14 DT H6 B 14 DT H2' 1.0 1.0 3.0 325 279 B 13 DG H4' B 14 DT H3' 1.0 2.5 5.0 326 280 B 14 DT H6 B 14 DT H3' 1.0 2.5 5.0 327 281 B 14 DT H1' B 14 DT H4' 1.0 2.5 5.0 328 282 B 14 DT H6 B 14 DT H4' 1.0 4.0 7.0 329 283 B 14 DT H6 B 14 DT H5' 1.0 2.5 5.0 330 283 B 14 DT H6 B 14 DT H5'' 1.0 2.5 5.0 331 284 B 15 DG H1' B 15 DG H8 1.0 2.5 5.0 332 285 B 15 DG H1' B 16 DG H8 1.0 2.5 5.0 333 286 B 15 DG H8 B 15 DG H2'' 1.0 2.5 5.0 334 287 B 16 DG H8 B 15 DG H2'' 1.0 2.0 5.5 335 288 B 15 DG H8 B 15 DG H2' 1.0 2.5 5.0 336 289 B 16 DG H8 B 15 DG H2' 1.0 2.5 5.0 337 290 B 15 DG H8 B 15 DG H3' 1.0 4.0 7.0 338 291 B 16 DG H8 B 15 DG H3' 1.0 4.0 7.0 339 292 B 15 DG H1' B 15 DG H4' 1.0 2.5 5.0 340 293 B 15 DG H8 B 15 DG H4' 1.0 4.0 7.0 341 294 B 15 DG H8 B 15 DG H5'' 1.0 2.0 4.0 342 295 B 15 DG H8 B 15 DG H5' 1.0 2.0 4.0 343 296 B 16 DG H8 B 16 DG H1' 1.0 2.5 5.0 344 297 B 16 DG H1' B 17 DG H8 1.0 2.5 5.0 345 298 B 16 DG H8 B 16 DG H2'' 1.0 2.5 5.0 346 299 B 17 DG H8 B 16 DG H2'' 1.0 2.5 5.0 347 300 B 16 DG H8 B 16 DG H2' 1.0 1.0 3.0 348 301 B 17 DG H8 B 16 DG H2' 1.0 2.5 5.0 349 302 B 16 DG H8 B 16 DG H3' 1.0 4.0 7.0 350 303 B 17 DG H8 B 16 DG H3' 1.0 4.0 7.0 351 304 B 16 DG H1' B 16 DG H4' 1.0 2.5 5.0 352 305 B 16 DG H8 B 16 DG H4' 1.0 4.0 7.0 353 306 B 15 DG H1' B 16 DG H5'' 1.0 4.0 7.0 354 307 B 16 DG H8 B 16 DG H5'' 1.0 4.0 7.0 355 308 B 15 DG H1' B 16 DG H5' 1.0 4.0 7.0 356 309 B 16 DG H8 B 16 DG H5' 1.0 4.0 7.0 357 310 B 17 DG H8 B 17 DG H1' 1.0 4.0 7.0 358 311 B 17 DG H8 B 17 DG H2'' 1.0 2.5 5.0 359 312 B 17 DG H2'' B 18 DT H6 1.0 2.5 5.0 360 313 B 17 DG H8 B 17 DG H2' 1.0 1.0 3.0 361 314 B 18 DT H6 B 17 DG H2' 1.0 2.5 5.0 362 315 B 17 DG H8 B 17 DG H3' 1.0 2.5 5.0 363 316 B 18 DT H6 B 17 DG H3' 1.0 2.5 5.0 364 317 B 17 DG H1' B 17 DG H4' 1.0 2.5 5.0 365 318 B 17 DG H8 B 17 DG H4' 1.0 4.0 7.0 366 319 B 17 DG H8 B 17 DG H5'' 1.0 4.0 7.0 367 320 B 16 DG H1' B 17 DG H5' 1.0 2.5 5.5 368 321 B 17 DG H8 B 17 DG H5' 1.0 4.0 7.0 369 322 B 16 DG H8 B 17 DG H8 1.0 2.5 5.0 370 323 B 18 DT H6 B 18 DT H1' 1.0 3.0 5.0 371 324 B 18 DT H6 B 18 DT H1' 1.0 3.0 5.0 372 325 B 17 DG H3' B 18 DT H2'' 1.0 4.0 7.0 373 325 B 17 DG H3' B 18 DT H2' 1.0 4.0 7.0 374 326 B 18 DT H6 B 18 DT H2'' 1.0 1.0 3.0 375 326 B 18 DT H6 B 18 DT H2' 1.0 1.0 3.0 376 327 B 18 DT H5' B 18 DT H2'' 1.0 4.0 7.0 377 327 B 18 DT H2' B 18 DT H5' 1.0 4.0 7.0 378 328 B 18 DT H5'' B 18 DT H2'' 1.0 4.0 7.0 379 328 B 18 DT H2' B 18 DT H5'' 1.0 4.0 7.0 380 329 B 18 DT H6 B 18 DT H3' 1.0 2.5 5.0 381 330 B 17 DG H1' B 18 DT H4' 1.0 4.0 7.0 382 331 B 18 DT H1' B 18 DT H4' 1.0 2.5 5.0 383 332 B 18 DT H6 B 18 DT H4' 1.0 4.0 7.0 384 333 B 17 DG H1' B 18 DT H5'' 1.0 2.5 5.5 385 334 B 18 DT H6 B 18 DT H5'' 1.0 3.5 7.0 386 335 B 17 DG H1' B 18 DT H5' 1.0 2.5 5.5 387 336 B 18 DT H6 B 18 DT H5' 1.0 3.5 7.0 388 337 B 17 DG H8 B 18 DT H6 1.0 4.0 7.0 389 338 B 16 DG H8 A 8 LYS HE2 1.0 0.8 6.5 390 338 A 8 LYS HE3 B 16 DG H8 1.0 0.8 6.5 391 339 B 16 DG H1' A 8 LYS HE2 1.0 0.8 6.5 392 339 A 8 LYS HE3 B 16 DG H1' 1.0 0.8 6.5 393 340 A 10 ARG HG2 B 15 DG H1 1.0 0.8 6.5 394 341 A 10 ARG HA B 15 DG H1 1.0 0.8 6.5 395 342 A 10 ARG HA B 7 DG H1 1.0 0.8 6.5 396 343 A 10 ARG HA B 7 DG H8 1.0 0.8 6.5 397 344 B 7 DG H8 A 10 ARG HD2 1.0 0.8 6.5 398 344 A 10 ARG HD3 B 7 DG H8 1.0 0.8 6.5 399 345 A 17 ALA HB% B 8 DG H8 1.0 0.8 6.5 400 346 A 17 ALA HA B 7 DG H1' 1.0 0.8 6.5 401 347 A 17 ALA HB% B 7 DG H1' 1.0 0.8 6.5 402 348 A 19 LYS H B 7 DG H1 1.0 0.8 6.5 403 349 A 20 GLN HA B 11 DG H8 1.0 0.8 6.5 404 350 B 8 DG H8 A 19 LYS HE2 1.0 0.8 6.5 405 350 B 8 DG H8 A 19 LYS HE3 1.0 0.8 6.5 406 351 B 11 DG H8 A 18 LYS HE2 1.0 0.8 6.5 407 351 B 11 DG H8 A 18 LYS HE3 1.0 0.8 6.5 408 352 A 12 ILE HD1% B 7 DG H1 1.0 0.8 6.5 409 353 A 12 ILE HD1% B 11 DG H8 1.0 0.8 6.5 410 354 A 12 ILE HD1% B 11 DG H1' 1.0 0.8 6.5 411 355 A 12 ILE HD1% B 11 DG H1 1.0 0.8 7.5 412 356 A 12 ILE HD1% B 15 DG H1 1.0 0.8 7.5 413 357 A 12 ILE HG12 B 3 DG H1 1.0 0.8 7.5 414 358 A 12 ILE HG12 B 7 DG H1 1.0 0.8 7.5 415 359 A 12 ILE HG12 B 11 DG H1 1.0 0.8 7.5 416 360 A 12 ILE HG12 B 15 DG H1 1.0 0.8 7.5 417 361 A 12 ILE HG2% B 3 DG H1 1.0 0.8 7.5 418 362 A 12 ILE HG2% B 7 DG H1 1.0 0.8 6.5 419 363 A 12 ILE HG2% B 11 DG H1 1.0 0.8 6.5 420 364 A 12 ILE HG2% B 15 DG H1 1.0 0.8 7.5 421 365 A 12 ILE HG2% B 15 DG H8 1.0 0.8 6.5 422 366 A 12 ILE HG2% B 11 DG H8 1.0 0.8 7.5 423 367 A 13 GLY HA3 B 3 DG H1 1.0 0.8 6.5 424 368 A 13 GLY HA3 B 7 DG H1 1.0 0.8 6.5 425 369 A 13 GLY HA3 B 11 DG H1 1.0 0.8 6.5 426 370 A 13 GLY HA3 B 15 DG H1 1.0 0.8 6.5 427 371 B 3 DG H1 A 13 GLY HA2 1.0 0.8 6.5 428 372 B 7 DG H1 A 13 GLY HA2 1.0 0.8 6.5 429 373 B 11 DG H1 A 13 GLY HA2 1.0 0.8 6.5 430 374 B 15 DG H1 A 13 GLY HA2 1.0 0.8 6.5 431 375 A 13 GLY H B 15 DG H1 1.0 0.8 6.5 432 376 A 5 GLY H B 11 DG H1 1.0 0.8 6.5 433 377 B 3 DG H8 A 9 GLY HA2 1.0 0.8 6.5 434 377 A 9 GLY HA3 B 3 DG H8 1.0 0.8 6.5 435 378 A 12 ILE H B 3 DG H1 1.0 0.8 6.5 436 379 A 12 ILE H B 7 DG H1 1.0 0.8 6.5 437 380 A 12 ILE H B 11 DG H1 1.0 0.8 6.5 438 381 A 12 ILE H B 15 DG H1 1.0 0.8 6.5 439 382 A 13 GLY H B 3 DG H1 1.0 0.8 6.5 440 383 A 13 GLY H B 11 DG H1 1.0 0.8 6.5 441 384 B 7 DG H1 A 14 MET HE% 1.0 0.8 6.5 442 385 B 3 DG H8 B 15 DG H1 1.0 3.0 5.4 443 386 B 3 DG H8 B 16 DG H1 1.0 3.5 8.0 444 387 B 3 DG H1 B 4 DG H1 1.0 3.0 5.4 445 388 B 4 DG H1 B 5 DG H1 1.0 3.0 5.4 446 389 B 7 DG H2' B 4 DG H1 1.0 3.0 5.4 447 390 B 4 DG H8 B 16 DG H1 1.0 3.0 5.4 448 391 B 8 DG H2' B 5 DG H1 1.0 3.0 5.4 449 392 B 5 DG H8 B 17 DG H1 1.0 3.0 5.4 450 393 B 7 DG H8 B 3 DG H1 1.0 3.0 5.4 451 394 B 11 DG H2' B 8 DG H1 1.0 3.0 5.4 452 395 B 7 DG H1 B 8 DG H1 1.0 3.0 5.4 453 396 B 8 DG H1 B 9 DG H1 1.0 3.0 5.4 454 397 B 8 DG H8 B 4 DG H1 1.0 3.0 5.4 455 398 B 12 DG H2' B 9 DG H1 1.0 3.0 5.4 456 399 B 9 DG H8 B 5 DG H1 1.0 3.0 5.4 457 400 B 11 DG H8 B 7 DG H1 1.0 3.0 5.4 458 401 B 11 DG H8 B 8 DG H1 1.0 3.5 8.0 459 402 B 11 DG H1 B 12 DG H1 1.0 3.0 5.4 460 403 B 15 DG H2' B 12 DG H1 1.0 3.0 5.4 461 404 B 12 DG H8 B 8 DG H1 1.0 3.0 5.4 462 405 B 12 DG H1 B 13 DG H1 1.0 3.0 5.4 463 406 B 16 DG H1 B 13 DG H1 1.0 3.5 8.0 464 407 B 16 DG H2' B 13 DG H1 1.0 3.0 5.4 465 408 B 17 DG H1 B 13 DG H1 1.0 3.5 8.0 466 409 B 13 DG H8 B 9 DG H1 1.0 3.0 5.4 467 410 B 15 DG H8 B 11 DG H1 1.0 3.0 5.4 468 411 B 15 DG H1 B 16 DG H1 1.0 3.0 5.4 469 412 B 3 DG H2' B 16 DG H1 1.0 3.0 5.4 470 413 B 16 DG H8 B 12 DG H1 1.0 3.0 5.4 471 414 B 16 DG H1 B 17 DG H1 1.0 3.0 5.4 472 415 B 4 DG H2' B 17 DG H1 1.0 3.0 5.4 473 416 B 17 DG H8 B 13 DG H1 1.0 3.0 5.4 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 undefined _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 B 6 DT H1' B 7 DG H3' 1.0 5.0 79.5 2 2 B 10 DT H1' B 11 DG H3' 1.0 5.0 79.5 3 3 B 14 DT H1' B 15 DG H3' 1.0 5.0 79.5 4 4 B 5 DG H1' B 6 DT H4' 1.0 5.0 79.5 5 5 B 9 DG H1' B 10 DT H4' 1.0 5.0 79.5 6 6 B 13 DG H1' B 14 DT H4' 1.0 5.0 79.5 7 7 B 5 DG H5' B 6 DT H6 1.0 5.0 79.5 8 8 B 9 DG H5' B 10 DT H6 1.0 5.0 79.5 9 9 B 13 DG H5' B 14 DT H6 1.0 5.0 79.5 10 10 B 5 DG H5'' B 6 DT H6 1.0 5.0 79.5 11 11 B 9 DG H5'' B 10 DT H6 1.0 5.0 79.5 12 12 B 13 DG H5'' B 14 DT H6 1.0 5.0 79.5 13 13 B 4 DG H1' B 6 DT H3' 1.0 5.0 79.5 14 14 B 8 DG H1' B 10 DT H3' 1.0 5.0 79.5 15 15 B 12 DG H1' B 14 DT H3' 1.0 5.0 79.5 16 16 B 17 DG H2' B 18 DT H2' 1.0 5.0 79.5 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 B 3 DG O4' B 3 DG C1' B 3 DG N9 B 3 DG C4 1.0 170.0 310.0 CHI 2 2 B 4 DG O4' B 4 DG C1' B 4 DG N9 B 4 DG C4 1.0 170.0 310.0 CHI 3 3 B 5 DG O4' B 5 DG C1' B 5 DG N9 B 5 DG C4 1.0 170.0 310.0 CHI 4 4 B 7 DG O4' B 7 DG C1' B 7 DG N9 B 7 DG C4 1.0 170.0 310.0 CHI 5 5 B 8 DG O4' B 8 DG C1' B 8 DG N9 B 8 DG C4 1.0 170.0 310.0 CHI 6 6 B 9 DG O4' B 9 DG C1' B 9 DG N9 B 9 DG C4 1.0 170.0 310.0 CHI 7 7 B 11 DG O4' B 11 DG C1' B 11 DG N9 B 11 DG C4 1.0 170.0 310.0 CHI 8 8 B 12 DG O4' B 12 DG C1' B 12 DG N9 B 12 DG C4 1.0 170.0 310.0 CHI 9 9 B 13 DG O4' B 13 DG C1' B 13 DG N9 B 13 DG C4 1.0 170.0 310.0 CHI 10 10 B 15 DG O4' B 15 DG C1' B 15 DG N9 B 15 DG C4 1.0 170.0 310.0 CHI 11 11 B 16 DG O4' B 16 DG C1' B 16 DG N9 B 16 DG C4 1.0 170.0 310.0 CHI 12 12 B 17 DG O4' B 17 DG C1' B 17 DG N9 B 17 DG C4 1.0 170.0 310.0 CHI stop_ save_