data_nef_c19774_2mkg 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 BMRB 19773 PDB 2MKg PDB 3A1Q 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 -4 GLY start . false 2 A -3 PRO middle . false 3 A -2 LEU middle . . 4 A -1 GLY middle . false 5 A 0 SER middle . . 6 A 74 ARG middle . . 7 A 75 LYS middle . . 8 A 76 ILE middle . . 9 A 77 ALA middle . . 10 A 78 GLN middle . . 11 A 79 MET middle . . 12 A 80 THR middle . . 13 A 81 GLU middle . . 14 A 82 GLU middle . . 15 A 83 GLU middle . . 16 A 84 GLN middle . . 17 A 85 PHE middle . . 18 A 86 ALA middle . . 19 A 87 LEU middle . . 20 A 88 ALA middle . . 21 A 89 LEU middle . . 22 A 90 LYS middle . . 23 A 91 MET middle . . 24 A 92 SER middle . . 25 A 93 GLU middle . . 26 A 94 GLN middle . . 27 A 95 GLU middle . . 28 A 96 ALA middle . . 29 A 97 ARG middle . . 30 A 98 GLU middle . . 31 A 99 VAL middle . . 32 A 100 ASN middle . . 33 A 101 SER middle . . 34 A 102 GLN middle . . 35 A 103 GLU middle . . 36 A 104 GLU middle . . 37 A 105 GLU middle . . 38 A 106 GLU middle . . 39 A 107 GLU middle . . 40 A 108 GLU middle . . 41 A 109 LEU middle . . 42 A 110 LEU middle . . 43 A 111 ARG middle . . 44 A 112 LYS middle . . 45 A 113 ALA middle . . 46 A 114 ILE middle . . 47 A 115 ALA middle . . 48 A 116 GLU middle . . 49 A 117 SER middle . . 50 A 118 LEU middle . . 51 A 119 ASN middle . . 52 A 120 SER middle . . 53 A 121 CYS middle . . 54 A 122 ARG middle . . 55 A 123 PRO middle . false 56 A 124 SER middle . . 57 A 125 ASP middle . . 58 A 126 ALA middle . . 59 A 127 SER middle . . 60 A 128 ALA middle . . 61 A 129 THR middle . . 62 A 130 ARG middle . . 63 A 131 SER 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 LEU H H 1 8.704 0.020 A -2 LEU HA H 1 4.345 0.020 A -2 LEU C C 13 178.154 0.3 A -2 LEU CA C 13 55.592 0.3 A -2 LEU CB C 13 42.228 0.3 A -2 LEU N N 15 122.796 0.3 A -1 GLY H H 1 8.548 0.020 A -1 GLY HA2 H 1 3.981 0.020 A -1 GLY HA3 H 1 3.981 0.020 A -1 GLY C C 13 174.468 0.3 A -1 GLY CA C 13 45.323 0.3 A -1 GLY N N 15 110.002 0.3 A 74 ARG H H 1 8.310 0.020 A 74 ARG C C 13 176.256 0.3 A 74 ARG N N 15 120.596 0.3 A 75 LYS H H 1 8.447 0.020 A 75 LYS HA H 1 4.303 0.020 A 75 LYS C C 13 176.826 0.3 A 75 LYS CA C 13 56.381 0.3 A 75 LYS CB C 13 32.874 0.3 A 75 LYS N N 15 123.250 0.3 A 76 ILE H H 1 8.315 0.020 A 76 ILE HA H 1 4.092 0.020 A 76 ILE C C 13 176.311 0.3 A 76 ILE CA C 13 61.588 0.3 A 76 ILE CB C 13 38.569 0.3 A 76 ILE N N 15 123.138 0.3 A 77 ALA H H 1 8.446 0.020 A 77 ALA HA H 1 4.258 0.020 A 77 ALA C C 13 177.642 0.3 A 77 ALA CA C 13 52.835 0.3 A 77 ALA CB C 13 19.100 0.3 A 77 ALA N N 15 127.035 0.3 A 78 GLN H H 1 8.323 0.020 A 78 GLN HA H 1 4.313 0.020 A 78 GLN C C 13 176.025 0.3 A 78 GLN CA C 13 55.721 0.3 A 78 GLN CB C 13 29.531 0.3 A 78 GLN N N 15 119.150 0.3 A 79 MET H H 1 8.410 0.020 A 79 MET HA H 1 4.619 0.020 A 79 MET C C 13 177.080 0.3 A 79 MET CA C 13 56.021 0.3 A 79 MET CB C 13 34.723 0.3 A 79 MET N N 15 122.456 0.3 A 80 THR H H 1 8.915 0.020 A 80 THR HA H 1 4.390 0.020 A 80 THR C C 13 175.463 0.3 A 80 THR CA C 13 61.546 0.3 A 80 THR CB C 13 70.845 0.3 A 80 THR N N 15 115.145 0.3 A 81 GLU H H 1 9.076 0.020 A 81 GLU HA H 1 4.007 0.020 A 81 GLU C C 13 178.734 0.3 A 81 GLU CA C 13 59.798 0.3 A 81 GLU CB C 13 29.394 0.3 A 81 GLU N N 15 122.254 0.3 A 82 GLU H H 1 8.839 0.020 A 82 GLU HA H 1 4.123 0.020 A 82 GLU C C 13 179.545 0.3 A 82 GLU CA C 13 59.825 0.3 A 82 GLU CB C 13 29.268 0.3 A 82 GLU N N 15 119.436 0.3 A 83 GLU H H 1 8.029 0.020 A 83 GLU HA H 1 4.102 0.020 A 83 GLU C C 13 179.440 0.3 A 83 GLU CA C 13 58.903 0.3 A 83 GLU CB C 13 30.027 0.3 A 83 GLU N N 15 121.597 0.3 A 84 GLN H H 1 8.575 0.020 A 84 GLN HA H 1 4.029 0.020 A 84 GLN C C 13 178.689 0.3 A 84 GLN CA C 13 59.019 0.3 A 84 GLN CB C 13 28.613 0.3 A 84 GLN N N 15 120.565 0.3 A 85 PHE H H 1 8.483 0.020 A 85 PHE HA H 1 4.229 0.020 A 85 PHE C C 13 177.713 0.3 A 85 PHE CA C 13 60.323 0.3 A 85 PHE CB C 13 38.720 0.3 A 85 PHE N N 15 121.525 0.3 A 86 ALA H H 1 8.072 0.020 A 86 ALA HA H 1 4.144 0.020 A 86 ALA C C 13 180.283 0.3 A 86 ALA CA C 13 54.695 0.3 A 86 ALA CB C 13 18.212 0.3 A 86 ALA N N 15 121.849 0.3 A 87 LEU H H 1 8.010 0.020 A 87 LEU HA H 1 4.218 0.020 A 87 LEU C C 13 178.387 0.3 A 87 LEU CA C 13 57.257 0.3 A 87 LEU CB C 13 41.875 0.3 A 87 LEU N N 15 120.459 0.3 A 88 ALA H H 1 7.981 0.020 A 88 ALA HA H 1 4.134 0.020 A 88 ALA C C 13 180.241 0.3 A 88 ALA CA C 13 54.492 0.3 A 88 ALA CB C 13 17.859 0.3 A 88 ALA N N 15 122.123 0.3 A 89 LEU H H 1 7.897 0.020 A 89 LEU HA H 1 4.134 0.020 A 89 LEU C C 13 178.981 0.3 A 89 LEU CA C 13 57.004 0.3 A 89 LEU CB C 13 41.945 0.3 A 89 LEU N N 15 119.923 0.3 A 90 LYS H H 1 7.913 0.020 A 90 LYS HA H 1 4.176 0.020 A 90 LYS C C 13 178.799 0.3 A 90 LYS CA C 13 58.199 0.3 A 90 LYS CB C 13 32.443 0.3 A 90 LYS N N 15 120.679 0.3 A 91 MET H H 1 8.392 0.020 A 91 MET HA H 1 4.366 0.020 A 91 MET C C 13 177.925 0.3 A 91 MET CA C 13 57.121 0.3 A 91 MET CB C 13 32.242 0.3 A 91 MET N N 15 118.958 0.3 A 92 SER H H 1 8.268 0.020 A 92 SER HA H 1 4.376 0.020 A 92 SER C C 13 175.910 0.3 A 92 SER CA C 13 60.139 0.3 A 92 SER CB C 13 63.292 0.3 A 92 SER N N 15 116.458 0.3 A 93 GLU H H 1 8.255 0.020 A 93 GLU HA H 1 4.208 0.020 A 93 GLU CA C 13 57.993 0.3 A 93 GLU CB C 13 29.786 0.3 A 93 GLU N N 15 122.379 0.3 A 94 GLN C C 13 177.043 0.3 A 94 GLN CA C 13 57.109 0.3 A 94 GLN CB C 13 28.971 0.3 A 95 GLU H H 1 8.294 0.020 A 95 GLU HA H 1 4.166 0.020 A 95 GLU C C 13 177.150 0.3 A 95 GLU CA C 13 57.579 0.3 A 95 GLU CB C 13 29.982 0.3 A 95 GLU N N 15 121.162 0.3 A 96 ALA H H 1 8.209 0.020 A 96 ALA HA H 1 4.313 0.020 A 96 ALA C C 13 178.276 0.3 A 96 ALA CA C 13 53.182 0.3 A 96 ALA CB C 13 18.685 0.3 A 96 ALA N N 15 123.599 0.3 A 97 ARG H H 1 8.123 0.020 A 97 ARG HA H 1 4.292 0.020 A 97 ARG C C 13 176.904 0.3 A 97 ARG CA C 13 56.702 0.3 A 97 ARG CB C 13 30.870 0.3 A 97 ARG N N 15 119.759 0.3 A 98 GLU H H 1 8.382 0.020 A 98 GLU HA H 1 4.260 0.020 A 98 GLU C C 13 176.939 0.3 A 98 GLU CA C 13 56.950 0.3 A 98 GLU CB C 13 30.051 0.3 A 98 GLU N N 15 121.995 0.3 A 99 VAL H H 1 8.269 0.020 A 99 VAL HA H 1 4.071 0.020 A 99 VAL C C 13 176.276 0.3 A 99 VAL CA C 13 62.936 0.3 A 99 VAL CB C 13 32.750 0.3 A 99 VAL N N 15 121.412 0.3 A 100 ASN H H 1 8.642 0.020 A 100 ASN HA H 1 4.819 0.020 A 100 ASN C C 13 175.671 0.3 A 100 ASN CA C 13 53.425 0.3 A 100 ASN CB C 13 39.040 0.3 A 100 ASN N N 15 122.455 0.3 A 101 SER H H 1 8.548 0.020 A 101 SER HA H 1 4.408 0.020 A 101 SER C C 13 175.147 0.3 A 101 SER CA C 13 59.187 0.3 A 101 SER CB C 13 63.672 0.3 A 101 SER N N 15 117.265 0.3 A 102 GLN H H 1 8.596 0.020 A 102 GLN HA H 1 4.292 0.020 A 102 GLN C C 13 177.127 0.3 A 102 GLN CA C 13 57.385 0.3 A 102 GLN CB C 13 28.800 0.3 A 102 GLN N N 15 122.686 0.3 A 103 GLU H H 1 8.502 0.020 A 103 GLU HA H 1 4.176 0.020 A 103 GLU C C 13 178.080 0.3 A 103 GLU CA C 13 58.301 0.3 A 103 GLU CB C 13 29.701 0.3 A 103 GLU N N 15 121.071 0.3 A 104 GLU H H 1 8.389 0.020 A 104 GLU C C 13 178.186 0.3 A 104 GLU N N 15 121.073 0.3 A 105 GLU H H 1 8.454 0.020 A 105 GLU C C 13 178.380 0.3 A 105 GLU N N 15 121.561 0.3 A 106 GLU H H 1 8.473 0.020 A 106 GLU C C 13 178.758 0.3 A 106 GLU N N 15 120.852 0.3 A 107 GLU H H 1 8.396 0.020 A 107 GLU C C 13 178.661 0.3 A 107 GLU N N 15 120.445 0.3 A 108 GLU H H 1 8.139 0.020 A 108 GLU C C 13 178.454 0.3 A 108 GLU N N 15 121.089 0.3 A 109 LEU H H 1 8.097 0.020 A 109 LEU HA H 1 4.113 0.020 A 109 LEU C C 13 180.104 0.3 A 109 LEU CA C 13 57.910 0.3 A 109 LEU CB C 13 41.691 0.3 A 109 LEU N N 15 120.552 0.3 A 110 LEU H H 1 7.964 0.020 A 110 LEU HA H 1 4.239 0.020 A 110 LEU CA C 13 57.495 0.3 A 110 LEU CB C 13 41.656 0.3 A 110 LEU N N 15 121.275 0.3 A 112 LYS H H 1 8.279 0.020 A 112 LYS C C 13 177.904 0.3 A 112 LYS N N 15 120.602 0.3 A 113 ALA H H 1 7.992 0.020 A 113 ALA HA H 1 4.282 0.020 A 113 ALA C C 13 180.557 0.3 A 113 ALA CA C 13 54.476 0.3 A 113 ALA CB C 13 18.266 0.3 A 113 ALA N N 15 122.972 0.3 A 114 ILE H H 1 8.231 0.020 A 114 ILE HA H 1 3.849 0.020 A 114 ILE C C 13 178.314 0.3 A 114 ILE CA C 13 63.783 0.3 A 114 ILE CB C 13 38.331 0.3 A 114 ILE N N 15 120.299 0.3 A 115 ALA H H 1 8.087 0.020 A 115 ALA HA H 1 4.208 0.020 A 115 ALA C C 13 179.824 0.3 A 115 ALA CA C 13 54.557 0.3 A 115 ALA CB C 13 18.281 0.3 A 115 ALA N N 15 124.227 0.3 A 116 GLU H H 1 8.322 0.020 A 116 GLU HA H 1 4.208 0.020 A 116 GLU C C 13 178.142 0.3 A 116 GLU CA C 13 57.988 0.3 A 116 GLU CB C 13 29.653 0.3 A 116 GLU N N 15 118.344 0.3 A 117 SER H H 1 8.050 0.020 A 117 SER HA H 1 4.380 0.020 A 117 SER C C 13 175.595 0.3 A 117 SER CA C 13 59.926 0.3 A 117 SER CB C 13 63.351 0.3 A 117 SER N N 15 115.778 0.3 A 118 LEU H H 1 7.984 0.020 A 118 LEU HA H 1 4.282 0.020 A 118 LEU C C 13 177.998 0.3 A 118 LEU CA C 13 56.141 0.3 A 118 LEU CB C 13 42.074 0.3 A 118 LEU N N 15 122.792 0.3 A 119 ASN H H 1 8.199 0.020 A 119 ASN HA H 1 4.703 0.020 A 119 ASN C C 13 175.640 0.3 A 119 ASN CA C 13 53.761 0.3 A 119 ASN CB C 13 38.823 0.3 A 119 ASN N N 15 118.030 0.3 A 120 SER H H 1 8.200 0.020 A 120 SER HA H 1 4.473 0.020 A 120 SER CA C 13 58.803 0.3 A 120 SER CB C 13 63.708 0.3 A 120 SER N N 15 115.677 0.3 A 123 PRO C C 13 177.186 0.3 A 123 PRO CA C 13 63.358 0.3 A 123 PRO CB C 13 32.163 0.3 A 124 SER H H 1 8.596 0.020 A 124 SER HA H 1 4.990 0.020 A 124 SER C C 13 174.548 0.3 A 124 SER CA C 13 58.600 0.3 A 124 SER CB C 13 63.727 0.3 A 124 SER N N 15 116.200 0.3 A 125 ASP H H 1 8.427 0.020 A 125 ASP HA H 1 4.608 0.020 A 125 ASP C C 13 176.378 0.3 A 125 ASP CA C 13 54.247 0.3 A 125 ASP CB C 13 41.080 0.3 A 125 ASP N N 15 122.649 0.3 A 126 ALA H H 1 8.401 0.020 A 126 ALA HA H 1 4.303 0.020 A 126 ALA C C 13 178.138 0.3 A 126 ALA CA C 13 53.067 0.3 A 126 ALA CB C 13 18.919 0.3 A 126 ALA N N 15 124.975 0.3 A 127 SER H H 1 8.403 0.020 A 127 SER HA H 1 4.380 0.020 A 127 SER C C 13 174.582 0.3 A 127 SER CA C 13 58.826 0.3 A 127 SER CB C 13 63.662 0.3 A 127 SER N N 15 114.892 0.3 A 128 ALA H H 1 8.266 0.020 A 128 ALA HA H 1 4.389 0.020 A 128 ALA C C 13 177.957 0.3 A 128 ALA CA C 13 52.712 0.3 A 128 ALA CB C 13 19.244 0.3 A 128 ALA N N 15 125.815 0.3 A 129 THR H H 1 8.200 0.020 A 129 THR HA H 1 4.310 0.020 A 129 THR C C 13 174.414 0.3 A 129 THR CA C 13 62.010 0.3 A 129 THR CB C 13 69.748 0.3 A 129 THR N N 15 113.766 0.3 A 130 ARG H H 1 8.457 0.020 A 130 ARG HA H 1 4.450 0.020 A 130 ARG C C 13 175.443 0.3 A 130 ARG CA C 13 55.979 0.3 A 130 ARG CB C 13 30.903 0.3 A 130 ARG N N 15 124.611 0.3 A 131 SER H H 1 8.176 0.020 A 131 SER HA H 1 3.849 0.020 A 131 SER CA C 13 59.999 0.3 A 131 SER CB C 13 64.713 0.3 A 131 SER N N 15 123.469 0.3 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 76 ILE H A 76 ILE HA 1.0 1.8 5.0 2 2 A 76 ILE H A 76 ILE HD11 1.0 1.8 5.0 3 3 A 76 ILE H A 76 ILE HG21 1.0 1.8 5.0 4 4 A 76 ILE HD11 A 77 ALA H 1.0 1.8 5.0 5 5 A 78 GLN H A 77 ALA HB1 1.0 1.8 5.0 6 6 A 78 GLN H A 78 GLN HGx 1.0 1.8 5.0 7 6 A 78 GLN H A 78 GLN HGy 1.0 1.8 5.0 8 7 A 81 GLU H A 80 THR HB 1.0 1.8 5.0 9 8 A 81 GLU H A 80 THR HG21 1.0 1.8 5.0 10 8 A 81 GLU H A 80 THR HG1 1.0 1.8 5.0 11 9 A 81 GLU H A 81 GLU HA 1.0 1.8 5.0 12 10 A 81 GLU H A 82 GLU H 1.0 1.8 5.0 13 11 A 80 THR HB A 82 GLU H 1.0 1.8 5.0 14 12 A 82 GLU H A 83 GLU H 1.0 1.8 5.0 15 13 A 82 GLU H A 83 GLU H 1.0 1.8 5.0 16 14 A 83 GLU H A 84 GLN H 1.0 1.8 5.0 17 15 A 83 GLU H A 84 GLN H 1.0 1.8 5.0 18 16 A 86 ALA H A 85 PHE HA 1.0 1.8 5.0 19 17 A 86 ALA H A 85 PHE H 1.0 1.8 5.0 20 18 A 88 ALA H A 87 LEU HD11 1.0 1.8 5.0 21 18 A 88 ALA H A 87 LEU HD21 1.0 1.8 5.0 22 19 A 88 ALA H A 88 ALA HB1 1.0 1.8 5.0 23 20 A 90 LYS H A 89 LEU HD11 1.0 1.8 5.0 24 20 A 90 LYS H A 89 LEU HD21 1.0 1.8 5.0 25 21 A 90 LYS H A 91 MET H 1.0 1.8 5.0 26 22 A 91 MET H A 90 LYS HA 1.0 1.8 5.0 27 23 A 90 LYS H A 91 MET H 1.0 1.8 5.0 28 24 A 91 MET H A 91 MET HA 1.0 1.8 5.0 29 25 A 99 VAL H A 99 VAL HA 1.0 1.8 5.0 30 26 A 99 VAL HA A 100 ASN H 1.0 1.8 5.0 31 27 A 100 ASN H A 99 VAL HB 1.0 1.8 5.0 32 28 A 100 ASN H A 99 VAL HG11 1.0 1.8 5.0 33 28 A 100 ASN H A 99 VAL HG21 1.0 1.8 5.0 34 29 A 100 ASN H A 100 ASN HA 1.0 1.8 5.0 35 30 A 100 ASN HA A 101 SER H 1.0 1.8 5.0 36 31 A 101 SER H A 101 SER HA 1.0 1.8 5.0 37 32 A 101 SER HA A 102 GLN H 1.0 1.8 5.0 38 33 A 102 GLN H A 102 GLN HA 1.0 1.8 5.0 39 34 A 107 GLU H A 108 GLU H 1.0 1.8 5.0 40 35 A 107 GLU H A 108 GLU H 1.0 1.8 5.0 41 36 A 114 ILE H A 113 ALA HA 1.0 1.8 5.0 42 37 A 114 ILE H A 113 ALA H 1.0 1.8 5.0 43 38 A 114 ILE H A 114 ILE HA 1.0 1.8 5.0 44 39 A 114 ILE HA A 115 ALA H 1.0 1.8 5.0 45 40 A 115 ALA H A 115 ALA HA 1.0 1.8 5.0 46 41 A 116 GLU H A 115 ALA HB1 1.0 1.8 5.0 47 42 A 116 GLU H A 117 SER H 1.0 1.8 5.0 48 43 A 116 GLU H A 117 SER H 1.0 1.8 5.0 49 44 A 118 LEU H A 118 LEU HD11 1.0 1.8 5.0 50 44 A 118 LEU H A 118 LEU HD21 1.0 1.8 5.0 51 45 A 119 ASN H A 118 LEU HA 1.0 1.8 5.0 52 46 A 119 ASN H A 119 ASN HA 1.0 1.8 5.0 53 47 A 76 ILE H A 75 LYS HBx 1.0 1.8 3.5 54 47 A 76 ILE H A 75 LYS HBy 1.0 1.8 3.5 55 48 A 76 ILE HA A 77 ALA H 1.0 1.8 3.5 56 49 A 77 ALA H A 77 ALA HB1 1.0 1.8 3.5 57 50 A 80 THR H A 79 MET HA 1.0 1.8 3.5 58 51 A 80 THR H A 80 THR HG21 1.0 1.8 3.5 59 52 A 81 GLU H A 80 THR HA 1.0 1.8 3.5 60 53 A 82 GLU H A 82 GLU HA 1.0 1.8 3.5 61 54 A 86 ALA H A 85 PHE H 1.0 1.8 3.5 62 55 A 86 ALA H A 85 PHE HBx 1.0 1.8 3.5 63 55 A 86 ALA H A 85 PHE HBy 1.0 1.8 3.5 64 56 A 86 ALA H A 86 ALA HA 1.0 1.8 3.5 65 57 A 92 SER H A 92 SER HA 1.0 1.8 3.5 66 58 A 96 ALA H A 95 GLU HBx 1.0 1.8 3.5 67 58 A 96 ALA H A 95 GLU HBy 1.0 1.8 3.5 68 59 A 96 ALA H A 96 ALA HB1 1.0 1.8 3.5 69 60 A 99 VAL H A 99 VAL HG11 1.0 1.8 3.5 70 60 A 99 VAL H A 99 VAL HG21 1.0 1.8 3.5 71 61 A 109 LEU H A 110 LEU H 1.0 1.8 3.5 72 62 A 76 ILE H A 75 LYS HA 1.0 1.8 2.9 73 63 A 85 PHE H A 85 PHE HBx 1.0 1.8 2.9 74 63 A 85 PHE H A 85 PHE HBy 1.0 1.8 2.9 75 64 A 86 ALA H A 86 ALA HB1 1.0 1.8 2.9 76 65 A 99 VAL H A 98 GLU HA 1.0 1.8 2.9 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 74 ARG C A 75 LYS N A 75 LYS CA A 75 LYS C 1.0 -76.852 -59.246 PHI 2 2 A 75 LYS C A 76 ILE N A 76 ILE CA A 76 ILE C 1.0 -91.237 -62.383 PHI 3 3 A 76 ILE C A 77 ALA N A 77 ALA CA A 77 ALA C 1.0 -97.118 -59.260 PHI 4 4 A 77 ALA C A 78 GLN N A 78 GLN CA A 78 GLN C 1.0 -84.103 -56.435 PHI 5 5 A 78 GLN C A 79 MET N A 79 MET CA A 79 MET C 1.0 -87.308 -65.920 PHI 6 6 A 79 MET C A 80 THR N A 80 THR CA A 80 THR C 1.0 -77.326 -66.924 PHI 7 7 A 80 THR C A 81 GLU N A 81 GLU CA A 81 GLU C 1.0 -61.973 -54.409 PHI 8 8 A 81 GLU C A 82 GLU N A 82 GLU CA A 82 GLU C 1.0 -71.794 -63.156 PHI 9 9 A 82 GLU C A 83 GLU N A 83 GLU CA A 83 GLU C 1.0 -70.827 -63.997 PHI 10 10 A 83 GLU C A 84 GLN N A 84 GLN CA A 84 GLN C 1.0 -68.099 -61.453 PHI 11 11 A 84 GLN C A 85 PHE N A 85 PHE CA A 85 PHE C 1.0 -69.889 -62.557 PHI 12 12 A 85 PHE C A 86 ALA N A 86 ALA CA A 86 ALA C 1.0 -69.332 -59.218 PHI 13 13 A 86 ALA C A 87 LEU N A 87 LEU CA A 87 LEU C 1.0 -72.680 -62.024 PHI 14 14 A 87 LEU C A 88 ALA N A 88 ALA CA A 88 ALA C 1.0 -72.205 -61.439 PHI 15 15 A 88 ALA C A 89 LEU N A 89 LEU CA A 89 LEU C 1.0 -71.639 -63.073 PHI 16 16 A 89 LEU C A 90 LYS N A 90 LYS CA A 90 LYS C 1.0 -72.353 -65.515 PHI 17 17 A 90 LYS C A 91 MET N A 91 MET CA A 91 MET C 1.0 -73.118 -64.220 PHI 18 18 A 91 MET C A 92 SER N A 92 SER CA A 92 SER C 1.0 -76.196 -62.464 PHI 19 19 A 92 SER C A 93 GLU N A 93 GLU CA A 93 GLU C 1.0 -71.889 -65.515 PHI 20 20 A 93 GLU C A 94 GLN N A 94 GLN CA A 94 GLN C 1.0 -70.742 -62.510 PHI 21 21 A 94 GLN C A 95 GLU N A 95 GLU CA A 95 GLU C 1.0 -74.371 -62.149 PHI 22 22 A 95 GLU C A 96 ALA N A 96 ALA CA A 96 ALA C 1.0 -73.708 -64.764 PHI 23 23 A 96 ALA C A 97 ARG N A 97 ARG CA A 97 ARG C 1.0 -82.671 -64.075 PHI 24 24 A 97 ARG C A 98 GLU N A 98 GLU CA A 98 GLU C 1.0 -98.814 -76.080 PHI 25 25 A 98 GLU C A 99 VAL N A 99 VAL CA A 99 VAL C 1.0 -81.556 -63.520 PHI 26 26 A 99 VAL C A 100 ASN N A 100 ASN CA A 100 ASN C 1.0 -83.709 -54.645 PHI 27 27 A 100 ASN C A 101 SER N A 101 SER CA A 101 SER C 1.0 -74.448 -54.392 PHI 28 28 A 101 SER C A 102 GLN N A 102 GLN CA A 102 GLN C 1.0 -71.574 -62.272 PHI 29 29 A 102 GLN C A 103 GLU N A 103 GLU CA A 103 GLU C 1.0 -72.034 -63.786 PHI 30 30 A 103 GLU C A 104 GLU N A 104 GLU CA A 104 GLU C 1.0 -73.603 -64.031 PHI 31 31 A 104 GLU C A 105 GLU N A 105 GLU CA A 105 GLU C 1.0 -71.003 -63.525 PHI 32 32 A 105 GLU C A 106 GLU N A 106 GLU CA A 106 GLU C 1.0 -69.371 -61.899 PHI 33 33 A 106 GLU C A 107 GLU N A 107 GLU CA A 107 GLU C 1.0 -69.213 -62.045 PHI 34 34 A 107 GLU C A 108 GLU N A 108 GLU CA A 108 GLU C 1.0 -71.002 -63.548 PHI 35 35 A 108 GLU C A 109 LEU N A 109 LEU CA A 109 LEU C 1.0 -71.362 -62.050 PHI 36 36 A 109 LEU C A 110 LEU N A 110 LEU CA A 110 LEU C 1.0 -73.678 -63.448 PHI 37 37 A 110 LEU C A 111 ARG N A 111 ARG CA A 111 ARG C 1.0 -70.976 -62.240 PHI 38 38 A 111 ARG C A 112 LYS N A 112 LYS CA A 112 LYS C 1.0 -71.946 -59.886 PHI 39 39 A 112 LYS C A 113 ALA N A 113 ALA CA A 113 ALA C 1.0 -70.809 -60.021 PHI 40 40 A 113 ALA C A 114 ILE N A 114 ILE CA A 114 ILE C 1.0 -72.073 -63.537 PHI 41 41 A 114 ILE C A 115 ALA N A 115 ALA CA A 115 ALA C 1.0 -70.144 -62.432 PHI 42 42 A 115 ALA C A 116 GLU N A 116 GLU CA A 116 GLU C 1.0 -71.388 -63.688 PHI 43 43 A 116 GLU C A 117 SER N A 117 SER CA A 117 SER C 1.0 -77.751 -64.751 PHI 44 44 A 117 SER C A 118 LEU N A 118 LEU CA A 118 LEU C 1.0 -81.708 -69.526 PHI 45 45 A 118 LEU C A 119 ASN N A 119 ASN CA A 119 ASN C 1.0 -97.209 -68.603 PHI 46 46 A 119 ASN C A 120 SER N A 120 SER CA A 120 SER C 1.0 -104.878 -78.470 PHI 47 47 A 122 ARG C A 123 PRO N A 123 PRO CA A 123 PRO C 1.0 -66.869 -55.959 PHI 48 48 A 123 PRO C A 124 SER N A 124 SER CA A 124 SER C 1.0 -78.344 -62.056 PHI 49 49 A 124 SER C A 125 ASP N A 125 ASP CA A 125 ASP C 1.0 -78.699 -54.481 PHI 50 50 A 125 ASP C A 126 ALA N A 126 ALA CA A 126 ALA C 1.0 -74.873 -58.305 PHI 51 51 A 126 ALA C A 127 SER N A 127 SER CA A 127 SER C 1.0 -94.317 -75.793 PHI 52 52 A 127 SER C A 128 ALA N A 128 ALA CA A 128 ALA C 1.0 79.933 104.961 PHI 53 53 A 128 ALA C A 129 THR N A 129 THR CA A 129 THR C 1.0 -93.624 -64.912 PHI 54 54 A 129 THR C A 130 ARG N A 130 ARG CA A 130 ARG C 1.0 -101.309 -77.049 PHI 55 55 A 74 ARG N A 74 ARG CA A 74 ARG C A 75 LYS N 1.0 128.543 152.475 PSI 56 56 A 75 LYS N A 75 LYS CA A 75 LYS C A 76 ILE N 1.0 135.797 152.265 PSI 57 57 A 76 ILE N A 76 ILE CA A 76 ILE C A 77 ALA N 1.0 126.419 145.787 PSI 58 58 A 77 ALA N A 77 ALA CA A 77 ALA C A 78 GLN N 1.0 128.691 173.591 PSI 59 59 A 78 GLN N A 78 GLN CA A 78 GLN C A 79 MET N 1.0 126.114 151.246 PSI 60 60 A 79 MET N A 79 MET CA A 79 MET C A 80 THR N 1.0 131.654 150.780 PSI 61 61 A 80 THR N A 80 THR CA A 80 THR C A 81 GLU N 1.0 157.457 166.053 PSI 62 62 A 81 GLU N A 81 GLU CA A 81 GLU C A 82 GLU N 1.0 -44.075 -35.275 PSI 63 63 A 82 GLU N A 82 GLU CA A 82 GLU C A 83 GLU N 1.0 -45.870 -34.778 PSI 64 64 A 83 GLU N A 83 GLU CA A 83 GLU C A 84 GLN N 1.0 -43.570 -37.338 PSI 65 65 A 84 GLN N A 84 GLN CA A 84 GLN C A 85 PHE N 1.0 -42.885 -34.269 PSI 66 66 A 85 PHE N A 85 PHE CA A 85 PHE C A 86 ALA N 1.0 -45.612 -35.526 PSI 67 67 A 86 ALA N A 86 ALA CA A 86 ALA C A 87 LEU N 1.0 -42.777 -34.653 PSI 68 68 A 87 LEU N A 87 LEU CA A 87 LEU C A 88 ALA N 1.0 -47.926 -36.072 PSI 69 69 A 88 ALA N A 88 ALA CA A 88 ALA C A 89 LEU N 1.0 -43.316 -34.600 PSI 70 70 A 89 LEU N A 89 LEU CA A 89 LEU C A 90 LYS N 1.0 -43.458 -34.224 PSI 71 71 A 90 LYS N A 90 LYS CA A 90 LYS C A 91 MET N 1.0 -40.414 -32.558 PSI 72 72 A 91 MET N A 91 MET CA A 91 MET C A 92 SER N 1.0 -42.264 -29.966 PSI 73 73 A 92 SER N A 92 SER CA A 92 SER C A 93 GLU N 1.0 -40.096 -28.492 PSI 74 74 A 93 GLU N A 93 GLU CA A 93 GLU C A 94 GLN N 1.0 -43.112 -32.704 PSI 75 75 A 94 GLN N A 94 GLN CA A 94 GLN C A 95 GLU N 1.0 -43.521 -29.725 PSI 76 76 A 95 GLU N A 95 GLU CA A 95 GLU C A 96 ALA N 1.0 -42.934 -26.022 PSI 77 77 A 96 ALA N A 96 ALA CA A 96 ALA C A 97 ARG N 1.0 -37.619 -21.141 PSI 78 78 A 97 ARG N A 97 ARG CA A 97 ARG C A 98 GLU N 1.0 -24.536 -5.080 PSI 79 79 A 98 GLU N A 98 GLU CA A 98 GLU C A 99 VAL N 1.0 -14.267 6.791 PSI 80 80 A 99 VAL N A 99 VAL CA A 99 VAL C A 100 ASN N 1.0 129.856 152.626 PSI 81 81 A 100 ASN N A 100 ASN CA A 100 ASN C A 101 SER N 1.0 123.215 161.311 PSI 82 82 A 101 SER N A 101 SER CA A 101 SER C A 102 GLN N 1.0 -42.874 -23.994 PSI 83 83 A 102 GLN N A 102 GLN CA A 102 GLN C A 103 GLU N 1.0 -40.213 -30.497 PSI 84 84 A 103 GLU N A 103 GLU CA A 103 GLU C A 104 GLU N 1.0 -40.689 -31.963 PSI 85 85 A 104 GLU N A 104 GLU CA A 104 GLU C A 105 GLU N 1.0 -42.236 -33.490 PSI 86 86 A 105 GLU N A 105 GLU CA A 105 GLU C A 106 GLU N 1.0 -45.015 -34.091 PSI 87 87 A 106 GLU N A 106 GLU CA A 106 GLU C A 107 GLU N 1.0 -43.868 -35.688 PSI 88 88 A 107 GLU N A 107 GLU CA A 107 GLU C A 108 GLU N 1.0 -42.296 -33.134 PSI 89 89 A 108 GLU N A 108 GLU CA A 108 GLU C A 109 LEU N 1.0 -46.174 -37.540 PSI 90 90 A 109 LEU N A 109 LEU CA A 109 LEU C A 110 LEU N 1.0 -40.580 -32.602 PSI 91 91 A 110 LEU N A 110 LEU CA A 110 LEU C A 111 ARG N 1.0 -41.941 -30.491 PSI 92 92 A 111 ARG N A 111 ARG CA A 111 ARG C A 112 LYS N 1.0 -39.617 -32.175 PSI 93 93 A 112 LYS N A 112 LYS CA A 112 LYS C A 113 ALA N 1.0 -43.385 -34.001 PSI 94 94 A 113 ALA N A 113 ALA CA A 113 ALA C A 114 ILE N 1.0 -40.606 -30.526 PSI 95 95 A 114 ILE N A 114 ILE CA A 114 ILE C A 115 ALA N 1.0 -45.481 -35.537 PSI 96 96 A 115 ALA N A 115 ALA CA A 115 ALA C A 116 GLU N 1.0 -40.985 -32.225 PSI 97 97 A 116 GLU N A 116 GLU CA A 116 GLU C A 117 SER N 1.0 -43.122 -30.200 PSI 98 98 A 117 SER N A 117 SER CA A 117 SER C A 118 LEU N 1.0 -38.510 -18.978 PSI 99 99 A 118 LEU N A 118 LEU CA A 118 LEU C A 119 ASN N 1.0 -32.097 -5.595 PSI 100 100 A 119 ASN N A 119 ASN CA A 119 ASN C A 120 SER N 1.0 -24.416 8.630 PSI 101 101 A 120 SER N A 120 SER CA A 120 SER C A 121 CYS N 1.0 -14.594 7.070 PSI 102 102 A 123 PRO N A 123 PRO CA A 123 PRO C A 124 SER N 1.0 140.200 152.684 PSI 103 103 A 124 SER N A 124 SER CA A 124 SER C A 125 ASP N 1.0 146.004 164.164 PSI 104 104 A 125 ASP N A 125 ASP CA A 125 ASP C A 126 ALA N 1.0 122.092 162.532 PSI 105 105 A 126 ALA N A 126 ALA CA A 126 ALA C A 127 SER N 1.0 -30.846 -11.894 PSI 106 106 A 127 SER N A 127 SER CA A 127 SER C A 128 ALA N 1.0 -20.615 2.831 PSI 107 107 A 128 ALA N A 128 ALA CA A 128 ALA C A 129 THR N 1.0 -47.619 48.763 PSI 108 108 A 129 THR N A 129 THR CA A 129 THR C A 130 ARG N 1.0 122.905 157.901 PSI 109 109 A 130 ARG N A 130 ARG CA A 130 ARG C A 131 SER N 1.0 115.205 139.053 PSI 110 110 A 76 ILE N A 76 ILE CA A 76 ILE CB A 76 ILE CG1 1.0 -120.000 0.000 CHI1 111 111 A 78 GLN N A 78 GLN CA A 78 GLN CB A 78 GLN CG 1.0 -90.000 -30.000 CHI1 112 112 A 80 THR N A 80 THR CA A 80 THR CB A 80 THR OG1 1.0 5.000 115.000 CHI1 113 113 A 85 PHE N A 85 PHE CA A 85 PHE CB A 85 PHE CG 1.0 140.000 220.000 CHI1 114 114 A 89 LEU N A 89 LEU CA A 89 LEU CB A 89 LEU CG 1.0 -90.000 -30.000 CHI1 115 115 A 91 MET N A 91 MET CA A 91 MET CB A 91 MET CG 1.0 -90.000 -30.000 CHI1 116 116 A 94 GLN N A 94 GLN CA A 94 GLN CB A 94 GLN CG 1.0 -90.000 -30.000 CHI1 117 117 A 95 GLU N A 95 GLU CA A 95 GLU CB A 95 GLU CG 1.0 -90.000 -30.000 CHI1 118 118 A 97 ARG N A 97 ARG CA A 97 ARG CB A 97 ARG CG 1.0 -90.000 -30.000 CHI1 119 119 A 98 GLU N A 98 GLU CA A 98 GLU CB A 98 GLU CG 1.0 -90.000 -30.000 CHI1 120 120 A 99 VAL N A 99 VAL CA A 99 VAL CB A 99 VAL CG1 1.0 140.000 220.000 CHI1 121 121 A 109 LEU N A 109 LEU CA A 109 LEU CB A 109 LEU CG 1.0 -94.000 -26.000 CHI1 122 122 A 114 ILE N A 114 ILE CA A 114 ILE CB A 114 ILE CG1 1.0 -120.000 0.000 CHI1 123 123 A 116 GLU N A 116 GLU CA A 116 GLU CB A 116 GLU CG 1.0 -90.000 -30.000 CHI1 124 124 A 118 LEU N A 118 LEU CA A 118 LEU CB A 118 LEU CG 1.0 -94.000 -26.000 CHI1 stop_ save_