data_nef_c19773_2mkf 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 19774 PDB 2MKF 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 82 GLU middle . . 14 A 83 GLU middle . . 15 A 84 GLN middle . . 16 A 85 PHE middle . . 17 A 86 ALA middle . . 18 A 87 LEU middle . . 19 A 88 ALA middle . . 20 A 89 LEU middle . . 21 A 90 LYS middle . . 22 A 91 MET middle . . 23 A 92 SER middle . . 24 A 93 GLU middle . . 25 A 94 GLN middle . . 26 A 95 GLU middle . . 27 A 96 ALA middle . . 28 A 97 ARG middle . . 29 A 98 GLU middle . . 30 A 99 VAL middle . . 31 A 100 ASN middle . . 32 A 101 SER middle . . 33 A 102 GLN middle . . 34 A 103 GLU middle . . 35 A 104 GLU middle . . 36 A 105 GLU middle . . 37 A 106 GLU middle . . 38 A 107 GLU middle . . 39 A 108 GLU middle . . 40 A 109 LEU middle . . 41 A 110 LEU middle . . 42 A 111 ARG middle . . 43 A 112 LYS middle . . 44 A 113 ALA middle . . 45 A 114 ILE middle . . 46 A 115 ALA middle . . 47 A 116 GLU middle . . 48 A 117 SER middle . . 49 A 118 LEU middle . . 50 A 119 ASN middle . . 51 A 120 SER middle . . 52 A 121 CYS middle . . 53 A 122 ARG middle . . 54 A 123 PRO middle . false 55 A 124 SER middle . . 56 A 125 ASP middle . . 57 A 126 ALA middle . . 58 A 127 SER middle . . 59 A 128 ALA middle . . 60 A 129 THR middle . . 61 A 130 ARG middle . . 62 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 8.698 0.020 A -2 LEU HA H 1 4.278 0.020 A -2 LEU CA C 13 55.285 0.3 A -2 LEU CB C 13 41.838 0.3 A -2 LEU N N 15 122.671 0.3 A -1 GLY H H 1 8.535 0.020 A -1 GLY HA2 H 1 3.899 0.020 A -1 GLY HA3 H 1 3.899 0.020 A -1 GLY CA C 13 45.098 0.3 A -1 GLY N N 15 109.817 0.3 A 0 SER H H 1 8.320 0.020 A 0 SER HA H 1 4.361 0.020 A 0 SER CA C 13 58.330 0.3 A 0 SER CB C 13 63.425 0.3 A 0 SER N N 15 115.797 0.3 A 74 ARG H H 1 8.299 0.020 A 74 ARG CA C 13 58.395 0.3 A 74 ARG CB C 13 27.468 0.3 A 74 ARG N N 15 120.410 0.3 A 75 LYS H H 1 8.411 0.020 A 75 LYS HA H 1 4.216 0.020 A 75 LYS CA C 13 56.371 0.3 A 75 LYS CB C 13 32.488 0.3 A 75 LYS N N 15 122.983 0.3 A 76 ILE H H 1 8.242 0.020 A 76 ILE HA H 1 4.059 0.020 A 76 ILE CA C 13 61.181 0.3 A 76 ILE CB C 13 38.371 0.3 A 76 ILE N N 15 122.749 0.3 A 77 ALA H H 1 8.463 0.020 A 77 ALA HA H 1 4.183 0.020 A 77 ALA CA C 13 52.609 0.3 A 77 ALA CB C 13 18.812 0.3 A 77 ALA N N 15 127.358 0.3 A 78 GLN H H 1 8.359 0.020 A 78 GLN HA H 1 4.214 0.020 A 78 GLN CA C 13 55.596 0.3 A 78 GLN CB C 13 29.016 0.3 A 78 GLN N N 15 119.077 0.3 A 79 MET H H 1 8.360 0.020 A 79 MET HA H 1 4.450 0.020 A 79 MET CA C 13 55.906 0.3 A 79 MET CB C 13 34.019 0.3 A 79 MET N N 15 121.781 0.3 A 80 THR H H 1 8.444 0.020 A 80 THR HA H 1 4.330 0.020 A 80 THR CA C 13 61.229 0.3 A 80 THR CB C 13 70.232 0.3 A 80 THR N N 15 114.156 0.3 A 82 GLU H H 1 8.972 0.020 A 82 GLU HA H 1 4.100 0.020 A 82 GLU CA C 13 59.179 0.3 A 82 GLU CB C 13 29.180 0.3 A 82 GLU N N 15 121.811 0.3 A 83 GLU H H 1 8.776 0.020 A 83 GLU HA H 1 4.056 0.020 A 83 GLU CA C 13 58.801 0.3 A 83 GLU CB C 13 29.315 0.3 A 83 GLU N N 15 120.249 0.3 A 84 GLN H H 1 8.037 0.020 A 84 GLN HA H 1 3.985 0.020 A 84 GLN CA C 13 57.908 0.3 A 84 GLN CB C 13 28.390 0.3 A 84 GLN N N 15 119.958 0.3 A 85 PHE H H 1 8.652 0.020 A 85 PHE HA H 1 4.305 0.020 A 85 PHE CA C 13 60.256 0.3 A 85 PHE CB C 13 38.716 0.3 A 85 PHE N N 15 121.733 0.3 A 86 ALA H H 1 8.209 0.020 A 86 ALA HA H 1 4.052 0.020 A 86 ALA CA C 13 54.315 0.3 A 86 ALA CB C 13 18.074 0.3 A 86 ALA N N 15 121.811 0.3 A 87 LEU H H 1 7.877 0.020 A 87 LEU HA H 1 4.137 0.020 A 87 LEU CA C 13 56.826 0.3 A 87 LEU CB C 13 41.605 0.3 A 87 LEU N N 15 119.780 0.3 A 88 ALA H H 1 8.020 0.020 A 88 ALA HA H 1 4.052 0.020 A 88 ALA CA C 13 54.021 0.3 A 88 ALA CB C 13 17.768 0.3 A 88 ALA N N 15 122.593 0.3 A 89 LEU H H 1 8.021 0.020 A 89 LEU HA H 1 4.052 0.020 A 89 LEU CA C 13 56.502 0.3 A 89 LEU CB C 13 41.538 0.3 A 89 LEU N N 15 120.028 0.3 A 90 LYS H H 1 7.896 0.020 A 90 LYS HA H 1 4.148 0.020 A 90 LYS CA C 13 57.557 0.3 A 90 LYS CB C 13 32.215 0.3 A 90 LYS N N 15 120.483 0.3 A 91 MET H H 1 8.320 0.020 A 91 MET HA H 1 4.291 0.020 A 91 MET CA C 13 56.541 0.3 A 91 MET N N 15 119.156 0.3 A 92 SER H H 1 8.297 0.020 A 92 SER HA H 1 4.291 0.020 A 92 SER CA C 13 59.584 0.3 A 92 SER CB C 13 63.074 0.3 A 92 SER N N 15 116.382 0.3 A 93 GLU H H 1 8.313 0.020 A 93 GLU HA H 1 4.135 0.020 A 93 GLU CA C 13 57.508 0.3 A 93 GLU CB C 13 29.613 0.3 A 93 GLU N N 15 122.202 0.3 A 94 GLN H H 1 8.177 0.020 A 94 GLN HA H 1 4.135 0.020 A 94 GLN CA C 13 56.877 0.3 A 94 GLN CB C 13 28.826 0.3 A 94 GLN N N 15 119.546 0.3 A 95 GLU H H 1 8.281 0.020 A 95 GLU HA H 1 4.066 0.020 A 95 GLU CA C 13 57.161 0.3 A 95 GLU CB C 13 29.906 0.3 A 95 GLU N N 15 121.030 0.3 A 96 ALA H H 1 8.242 0.020 A 96 ALA HA H 1 4.183 0.020 A 96 ALA CA C 13 52.759 0.3 A 96 ALA CB C 13 18.405 0.3 A 96 ALA N N 15 123.530 0.3 A 97 ARG H H 1 8.131 0.020 A 97 ARG HA H 1 4.209 0.020 A 97 ARG CA C 13 56.469 0.3 A 97 ARG CB C 13 30.641 0.3 A 97 ARG N N 15 119.624 0.3 A 98 GLU H H 1 8.374 0.020 A 98 GLU HA H 1 4.177 0.020 A 98 GLU CA C 13 56.531 0.3 A 98 GLU CB C 13 29.665 0.3 A 98 GLU N N 15 121.837 0.3 A 99 VAL H H 1 8.261 0.020 A 99 VAL HA H 1 3.974 0.020 A 99 VAL CA C 13 62.503 0.3 A 99 VAL CB C 13 32.457 0.3 A 99 VAL N N 15 121.265 0.3 A 100 ASN H H 1 8.639 0.020 A 100 ASN HA H 1 4.718 0.020 A 100 ASN CA C 13 53.117 0.3 A 100 ASN CB C 13 38.768 0.3 A 100 ASN N N 15 122.280 0.3 A 101 SER H H 1 8.542 0.020 A 101 SER HA H 1 4.349 0.020 A 101 SER CA C 13 58.970 0.3 A 101 SER CB C 13 63.397 0.3 A 101 SER N N 15 117.046 0.3 A 102 GLN H H 1 8.594 0.020 A 102 GLN HA H 1 4.203 0.020 A 102 GLN CA C 13 57.170 0.3 A 102 GLN CB C 13 28.389 0.3 A 102 GLN N N 15 122.514 0.3 A 103 GLU H H 1 8.496 0.020 A 103 GLU HA H 1 4.093 0.020 A 103 GLU CA C 13 57.993 0.3 A 103 GLU CB C 13 29.489 0.3 A 103 GLU N N 15 120.874 0.3 A 104 GLU H H 1 8.379 0.020 A 104 GLU HA H 1 4.122 0.020 A 104 GLU CA C 13 57.847 0.3 A 104 GLU CB C 13 29.643 0.3 A 104 GLU N N 15 120.874 0.3 A 105 GLU H H 1 8.437 0.020 A 105 GLU HA H 1 4.121 0.020 A 105 GLU CA C 13 58.082 0.3 A 105 GLU N N 15 121.421 0.3 A 106 GLU H H 1 8.463 0.020 A 106 GLU HA H 1 4.004 0.020 A 106 GLU CA C 13 58.675 0.3 A 106 GLU CB C 13 29.321 0.3 A 106 GLU N N 15 120.640 0.3 A 107 GLU H H 1 8.385 0.020 A 107 GLU HA H 1 4.045 0.020 A 107 GLU CA C 13 59.002 0.3 A 107 GLU CB C 13 29.036 0.3 A 107 GLU N N 15 120.249 0.3 A 108 GLU H H 1 8.125 0.020 A 108 GLU HA H 1 4.128 0.020 A 108 GLU CA C 13 58.402 0.3 A 108 GLU CB C 13 28.820 0.3 A 108 GLU N N 15 120.902 0.3 A 109 LEU H H 1 8.085 0.020 A 109 LEU HA H 1 3.994 0.020 A 109 LEU CA C 13 57.460 0.3 A 109 LEU CB C 13 41.485 0.3 A 109 LEU N N 15 120.327 0.3 A 110 LEU H H 1 7.948 0.020 A 110 LEU HA H 1 4.155 0.020 A 110 LEU CA C 13 57.197 0.3 A 110 LEU CB C 13 41.472 0.3 A 110 LEU N N 15 121.108 0.3 A 111 ARG H H 1 8.111 0.020 A 111 ARG HA H 1 3.902 0.020 A 111 ARG CA C 13 59.013 0.3 A 111 ARG CB C 13 29.965 0.3 A 111 ARG N N 15 119.390 0.3 A 112 LYS H H 1 8.273 0.020 A 112 LYS HA H 1 4.059 0.020 A 112 LYS CA C 13 58.715 0.3 A 112 LYS CB C 13 32.443 0.3 A 112 LYS N N 15 120.418 0.3 A 113 ALA H H 1 7.978 0.020 A 113 ALA HA H 1 4.169 0.020 A 113 ALA CA C 13 54.293 0.3 A 113 ALA CB C 13 18.053 0.3 A 113 ALA N N 15 122.758 0.3 A 114 ILE H H 1 8.229 0.020 A 114 ILE HA H 1 3.766 0.020 A 114 ILE CA C 13 63.420 0.3 A 114 ILE CB C 13 38.078 0.3 A 114 ILE N N 15 120.171 0.3 A 115 ALA H H 1 8.072 0.020 A 115 ALA HA H 1 4.107 0.020 A 115 ALA CA C 13 54.321 0.3 A 115 ALA CB C 13 18.054 0.3 A 115 ALA N N 15 123.999 0.3 A 116 GLU H H 1 8.313 0.020 A 116 GLU HA H 1 4.120 0.020 A 116 GLU CA C 13 57.776 0.3 A 116 GLU CB C 13 29.311 0.3 A 116 GLU N N 15 118.140 0.3 A 117 SER H H 1 8.040 0.020 A 117 SER HA H 1 4.291 0.020 A 117 SER CA C 13 59.647 0.3 A 117 SER CB C 13 63.022 0.3 A 117 SER N N 15 115.640 0.3 A 118 LEU H H 1 7.968 0.020 A 118 LEU HA H 1 4.224 0.020 A 118 LEU CA C 13 55.875 0.3 A 118 LEU CB C 13 41.794 0.3 A 118 LEU N N 15 122.593 0.3 A 119 ASN H H 1 8.183 0.020 A 119 ASN HA H 1 4.634 0.020 A 119 ASN CA C 13 53.533 0.3 A 119 ASN CB C 13 38.545 0.3 A 119 ASN N N 15 117.828 0.3 A 120 SER H H 1 8.183 0.020 A 120 SER HA H 1 4.332 0.020 A 120 SER CA C 13 58.417 0.3 A 120 SER CB C 13 63.386 0.3 A 120 SER N N 15 115.484 0.3 A 121 CYS H H 1 8.450 0.020 A 121 CYS CA C 13 55.898 0.3 A 121 CYS CB C 13 30.564 0.3 A 121 CYS N N 15 123.139 0.3 A 124 SER H H 1 8.587 0.020 A 124 SER HA H 1 4.311 0.020 A 124 SER CA C 13 58.360 0.3 A 124 SER CB C 13 63.486 0.3 A 124 SER N N 15 116.031 0.3 A 125 ASP H H 1 8.424 0.020 A 125 ASP HA H 1 4.555 0.020 A 125 ASP CA C 13 54.016 0.3 A 125 ASP CB C 13 40.864 0.3 A 125 ASP N N 15 122.514 0.3 A 126 ALA H H 1 8.398 0.020 A 126 ALA HA H 1 4.223 0.020 A 126 ALA CA C 13 52.755 0.3 A 126 ALA CB C 13 18.695 0.3 A 126 ALA N N 15 124.858 0.3 A 127 SER H H 1 8.398 0.020 A 127 SER HA H 1 4.296 0.020 A 127 SER CA C 13 58.476 0.3 A 127 SER CB C 13 63.408 0.3 A 127 SER N N 15 114.781 0.3 A 128 ALA H H 1 8.261 0.020 A 128 ALA HA H 1 4.286 0.020 A 128 ALA CA C 13 52.412 0.3 A 128 ALA CB C 13 19.000 0.3 A 128 ALA N N 15 125.639 0.3 A 129 THR H H 1 8.196 0.020 A 129 THR HA H 1 4.223 0.020 A 129 THR CA C 13 61.793 0.3 A 129 THR CB C 13 69.378 0.3 A 129 THR N N 15 113.687 0.3 A 130 ARG H H 1 8.450 0.020 A 130 ARG HA H 1 4.373 0.020 A 130 ARG CA C 13 55.568 0.3 A 130 ARG CB C 13 30.647 0.3 A 130 ARG N N 15 124.467 0.3 A 131 SER H H 1 8.170 0.020 A 131 SER CA C 13 59.610 0.3 A 131 SER CB C 13 64.344 0.3 A 131 SER N N 15 123.296 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 75 LYS H A 75 LYS HGx 1.0 1.8 5.0 2 1 A 75 LYS H A 75 LYS HGy 1.0 1.8 5.0 3 2 A 76 ILE H A 76 ILE HA 1.0 1.8 5.0 4 3 A 76 ILE H A 76 ILE HD11 1.0 1.8 5.0 5 4 A 76 ILE H A 76 ILE HG1x 1.0 1.8 5.0 6 4 A 76 ILE H A 76 ILE HG21 1.0 1.8 5.0 7 4 A 76 ILE H A 76 ILE HG1y 1.0 1.8 5.0 8 5 A 77 ALA H A 77 ALA HA 1.0 1.8 5.0 9 6 A 79 MET H A 79 MET HGx 1.0 1.8 5.0 10 6 A 79 MET H A 79 MET HGy 1.0 1.8 5.0 11 7 A 79 MET H A 79 MET HA 1.0 1.8 5.0 12 8 A 80 THR H A 85 PHE HA 1.0 1.8 5.0 13 9 A 83 GLU H A 80 THR HB 1.0 1.8 5.0 14 10 A 83 GLU H A 80 THR HG21 1.0 1.8 5.0 15 11 A 80 THR H A 83 GLU H 1.0 1.8 5.0 16 12 A 83 GLU H A 83 GLU HA 1.0 1.8 5.0 17 13 A 83 GLU H A 83 GLU HGx 1.0 1.8 5.0 18 13 A 83 GLU H A 83 GLU HGy 1.0 1.8 5.0 19 14 A 83 GLU H A 84 GLN H 1.0 1.8 5.0 20 15 A 80 THR HB A 84 GLN H 1.0 1.8 5.0 21 16 A 80 THR HG21 A 84 GLN H 1.0 1.8 5.0 22 17 A 84 GLN H A 84 GLN HGx 1.0 1.8 5.0 23 17 A 84 GLN H A 84 GLN HGy 1.0 1.8 5.0 24 18 A 84 GLN H A 85 PHE H 1.0 1.8 5.0 25 19 A 85 PHE H A 86 ALA H 1.0 1.8 5.0 26 20 A 85 PHE H A 86 ALA H 1.0 1.8 5.0 27 21 A 86 ALA H A 86 ALA HA 1.0 1.8 5.0 28 22 A 86 ALA H A 87 LEU H 1.0 1.8 5.0 29 23 A 86 ALA HA A 87 LEU H 1.0 1.8 5.0 30 24 A 87 LEU H A 86 ALA HB1 1.0 1.8 5.0 31 25 A 86 ALA H A 87 LEU H 1.0 1.8 5.0 32 26 A 87 LEU H A 88 ALA H 1.0 1.8 5.0 33 27 A 88 ALA H A 87 LEU HBx 1.0 1.8 5.0 34 27 A 88 ALA H A 87 LEU HBy 1.0 1.8 5.0 35 28 A 87 LEU H A 88 ALA H 1.0 1.8 5.0 36 29 A 86 ALA HA A 89 LEU H 1.0 1.8 5.0 37 30 A 90 LYS H A 90 LYS HDx 1.0 1.8 5.0 38 30 A 90 LYS H A 90 LYS HDy 1.0 1.8 5.0 39 31 A 91 MET H A 90 LYS HDx 1.0 1.8 5.0 40 31 A 90 LYS HDy A 91 MET H 1.0 1.8 5.0 41 32 A 91 MET H A 92 SER H 1.0 1.8 5.0 42 33 A 91 MET H A 92 SER H 1.0 1.8 5.0 43 34 A 92 SER H A 92 SER HA 1.0 1.8 5.0 44 35 A 94 GLN H A 93 GLU HBx 1.0 1.8 5.0 45 35 A 94 GLN H A 93 GLU HBy 1.0 1.8 5.0 46 36 A 100 ASN H A 100 ASN HA 1.0 1.8 5.0 47 37 A 100 ASN H A 101 SER H 1.0 1.8 5.0 48 38 A 100 ASN H A 101 SER H 1.0 1.8 5.0 49 39 A 101 SER H A 101 SER HA 1.0 1.8 5.0 50 40 A 102 GLN H A 101 SER HBx 1.0 1.8 5.0 51 40 A 102 GLN H A 101 SER HBy 1.0 1.8 5.0 52 41 A 102 GLN H A 102 GLN HA 1.0 1.8 5.0 53 42 A 102 GLN H A 102 GLN HBx 1.0 1.8 5.0 54 42 A 102 GLN H A 102 GLN HBy 1.0 1.8 5.0 55 43 A 102 GLN HA A 103 GLU H 1.0 1.8 5.0 56 44 A 103 GLU H A 102 GLN HBx 1.0 1.8 5.0 57 44 A 102 GLN HBy A 103 GLU H 1.0 1.8 5.0 58 45 A 103 GLU H A 103 GLU HA 1.0 1.8 5.0 59 46 A 103 GLU H A 103 GLU HGx 1.0 1.8 5.0 60 46 A 103 GLU H A 103 GLU HGy 1.0 1.8 5.0 61 47 A 108 GLU H A 109 LEU H 1.0 1.8 5.0 62 48 A 108 GLU H A 109 LEU H 1.0 1.8 5.0 63 49 A 110 LEU H A 110 LEU HD11 1.0 1.8 5.0 64 49 A 110 LEU H A 110 LEU HD21 1.0 1.8 5.0 65 50 A 111 ARG H A 111 ARG HDx 1.0 1.8 5.0 66 50 A 111 ARG H A 111 ARG HDy 1.0 1.8 5.0 67 51 A 113 ALA H A 113 ALA HB1 1.0 1.8 5.0 68 52 A 116 GLU H A 115 ALA HA 1.0 1.8 5.0 69 53 A 116 GLU H A 116 GLU HA 1.0 1.8 5.0 70 54 A 116 GLU H A 116 GLU HBx 1.0 1.8 5.0 71 54 A 116 GLU H A 116 GLU HBy 1.0 1.8 5.0 72 55 A 117 SER H A 116 GLU HBx 1.0 1.8 5.0 73 55 A 116 GLU HBy A 117 SER H 1.0 1.8 5.0 74 56 A 116 GLU H A 117 SER H 1.0 1.8 5.0 75 57 A 117 SER H A 117 SER HA 1.0 1.8 5.0 76 58 A 117 SER H A 117 SER HBx 1.0 1.8 5.0 77 58 A 117 SER H A 117 SER HBy 1.0 1.8 5.0 78 59 A 117 SER HA A 118 LEU H 1.0 1.8 5.0 79 60 A 118 LEU H A 117 SER HBx 1.0 1.8 5.0 80 60 A 117 SER HBy A 118 LEU H 1.0 1.8 5.0 81 61 A 117 SER H A 118 LEU H 1.0 1.8 5.0 82 62 A 119 ASN H A 118 LEU HBx 1.0 1.8 5.0 83 62 A 119 ASN H A 118 LEU HBy 1.0 1.8 5.0 84 63 A 119 ASN H A 119 ASN HA 1.0 1.8 5.0 85 64 A 119 ASN H A 119 ASN HD2x 1.0 1.8 5.0 86 64 A 119 ASN H A 119 ASN HD2y 1.0 1.8 5.0 87 65 A 119 ASN HA A 120 SER H 1.0 1.8 5.0 88 66 A 120 SER H A 119 ASN HBx 1.0 1.8 5.0 89 66 A 120 SER H A 119 ASN HBy 1.0 1.8 5.0 90 67 A 120 SER H A 119 ASN HD2x 1.0 1.8 5.0 91 67 A 119 ASN HD2y A 120 SER H 1.0 1.8 5.0 92 68 A 119 ASN H A 120 SER H 1.0 1.8 5.0 93 69 A 120 SER H A 120 SER HA 1.0 1.8 5.0 94 70 A 120 SER H A 120 SER HBx 1.0 1.8 5.0 95 70 A 120 SER H A 120 SER HBy 1.0 1.8 5.0 96 71 A 120 SER HA A 121 CYS H 1.0 1.8 5.0 97 72 A 125 ASP H A 124 SER HBx 1.0 1.8 5.0 98 72 A 125 ASP H A 124 SER HBy 1.0 1.8 5.0 99 73 A 125 ASP H A 125 ASP HA 1.0 1.8 5.0 100 74 A 125 ASP H A 125 ASP HBx 1.0 1.8 5.0 101 74 A 125 ASP H A 125 ASP HBy 1.0 1.8 5.0 102 75 A 125 ASP HA A 126 ALA H 1.0 1.8 5.0 103 76 A 126 ALA H A 126 ALA HB1 1.0 1.8 5.0 104 77 A 126 ALA HB1 A 127 SER H 1.0 1.8 5.0 105 78 A 127 SER H A 127 SER HA 1.0 1.8 5.0 106 79 A 126 ALA HB1 A 128 ALA H 1.0 1.8 5.0 107 80 A 128 ALA H A 127 SER HBx 1.0 1.8 5.0 108 80 A 128 ALA H A 127 SER HBy 1.0 1.8 5.0 109 81 A 129 THR H A 128 ALA HB1 1.0 1.8 5.0 110 82 A 130 ARG H A 129 THR HB 1.0 1.8 5.0 111 83 A 0 SER H A 0 SER HBx 1.0 1.8 3.5 112 83 A 0 SER H A 0 SER HBy 1.0 1.8 3.5 113 84 A 76 ILE HA A 77 ALA H 1.0 1.8 3.5 114 85 A 79 MET HA A 80 THR H 1.0 1.8 3.5 115 86 A 80 THR H A 80 THR HG21 1.0 1.8 3.5 116 87 A 83 GLU H A 80 THR HA 1.0 1.8 3.5 117 88 A 83 GLU H A 83 GLU HBx 1.0 1.8 3.5 118 88 A 83 GLU H A 83 GLU HBy 1.0 1.8 3.5 119 89 A 84 GLN H A 84 GLN HA 1.0 1.8 3.5 120 90 A 85 PHE H A 84 GLN HBx 1.0 1.8 3.5 121 90 A 85 PHE H A 84 GLN HBy 1.0 1.8 3.5 122 91 A 85 PHE HA A 85 PHE H 1.0 1.8 3.5 123 92 A 86 ALA H A 86 ALA HB1 1.0 1.8 3.5 124 93 A 87 LEU H A 87 LEU HA 1.0 1.8 3.5 125 94 A 87 LEU H A 87 LEU HBx 1.0 1.8 3.5 126 94 A 87 LEU H A 87 LEU HBy 1.0 1.8 3.5 127 95 A 92 SER HA A 93 GLU H 1.0 1.8 3.5 128 96 A 94 GLN H A 94 GLN HBx 1.0 1.8 3.5 129 96 A 94 GLN H A 94 GLN HBy 1.0 1.8 3.5 130 97 A 97 ARG H A 96 ALA HB1 1.0 1.8 3.5 131 98 A 98 GLU H A 97 ARG HBx 1.0 1.8 3.5 132 98 A 98 GLU H A 97 ARG HBy 1.0 1.8 3.5 133 99 A 101 SER H A 101 SER HBx 1.0 1.8 3.5 134 99 A 101 SER H A 101 SER HBy 1.0 1.8 3.5 135 100 A 114 ILE H A 114 ILE HB 1.0 1.8 3.5 136 101 A 118 LEU H A 118 LEU HBx 1.0 1.8 3.5 137 101 A 118 LEU H A 118 LEU HBy 1.0 1.8 3.5 138 102 A 127 SER H A 126 ALA HA 1.0 1.8 3.5 139 103 A 127 SER H A 127 SER HBx 1.0 1.8 3.5 140 103 A 127 SER H A 127 SER HBy 1.0 1.8 3.5 141 104 A 128 ALA H A 128 ALA HB1 1.0 1.8 3.5 142 105 A 129 THR H A 129 THR HB 1.0 1.8 3.5 143 106 A 76 ILE H A 75 LYS HA 1.0 1.8 2.9 144 107 A 89 LEU H A 89 LEU HBx 1.0 1.8 2.9 145 107 A 89 LEU H A 89 LEU HBy 1.0 1.8 2.9 146 108 A 95 GLU H A 95 GLU HBx 1.0 1.8 2.9 147 108 A 95 GLU H A 95 GLU HBy 1.0 1.8 2.9 148 109 A 97 ARG H A 97 ARG HBx 1.0 1.8 2.9 149 109 A 97 ARG H A 97 ARG HBy 1.0 1.8 2.9 150 110 A 99 VAL H A 99 VAL HB 1.0 1.8 2.9 151 111 A 100 ASN HA A 101 SER H 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 -110.168 -86.098 PHI 2 2 A 75 LYS C A 76 ILE N A 76 ILE CA A 76 ILE C 1.0 -85.666 -67.808 PHI 3 3 A 76 ILE C A 77 ALA N A 77 ALA CA A 77 ALA C 1.0 -96.900 -64.568 PHI 4 4 A 77 ALA C A 78 GLN N A 78 GLN CA A 78 GLN C 1.0 -84.445 -56.069 PHI 5 5 A 78 GLN C A 79 MET N A 79 MET CA A 79 MET C 1.0 -78.497 -63.297 PHI 6 6 A 79 MET C A 80 THR N A 80 THR CA A 80 THR C 1.0 -80.399 -67.735 PHI 7 7 A 80 THR C A 83 GLU N A 83 GLU CA A 83 GLU C 1.0 -63.479 -54.531 . 8 8 A 83 GLU C A 84 GLN N A 84 GLN CA A 84 GLN C 1.0 -72.016 -62.060 PHI 9 9 A 84 GLN C A 85 PHE N A 85 PHE CA A 85 PHE C 1.0 -70.490 -63.914 PHI 10 10 A 85 PHE C A 86 ALA N A 86 ALA CA A 86 ALA C 1.0 -68.848 -63.268 PHI 11 11 A 86 ALA C A 87 LEU N A 87 LEU CA A 87 LEU C 1.0 -67.075 -59.867 PHI 12 12 A 87 LEU C A 88 ALA N A 88 ALA CA A 88 ALA C 1.0 -71.794 -61.840 PHI 13 13 A 88 ALA C A 89 LEU N A 89 LEU CA A 89 LEU C 1.0 -72.697 -60.397 PHI 14 14 A 89 LEU C A 90 LYS N A 90 LYS CA A 90 LYS C 1.0 -71.416 -64.292 PHI 15 15 A 90 LYS C A 91 MET N A 91 MET CA A 91 MET C 1.0 -73.282 -64.274 PHI 16 16 A 91 MET C A 92 SER N A 92 SER CA A 92 SER C 1.0 -73.111 -64.551 PHI 17 17 A 92 SER C A 93 GLU N A 93 GLU CA A 93 GLU C 1.0 -76.524 -62.352 PHI 18 18 A 93 GLU C A 94 GLN N A 94 GLN CA A 94 GLN C 1.0 -74.729 -63.305 PHI 19 19 A 94 GLN C A 95 GLU N A 95 GLU CA A 95 GLU C 1.0 -82.983 -65.385 PHI 20 20 A 95 GLU C A 96 ALA N A 96 ALA CA A 96 ALA C 1.0 -100.716 -75.044 PHI 21 21 A 96 ALA C A 97 ARG N A 97 ARG CA A 97 ARG C 1.0 70.860 95.152 PHI 22 22 A 99 VAL C A 100 ASN N A 100 ASN CA A 100 ASN C 1.0 -88.250 -65.946 PHI 23 23 A 100 ASN C A 101 SER N A 101 SER CA A 101 SER C 1.0 -75.279 -61.579 PHI 24 24 A 101 SER C A 102 GLN N A 102 GLN CA A 102 GLN C 1.0 -75.252 -52.664 PHI 25 25 A 102 GLN C A 103 GLU N A 103 GLU CA A 103 GLU C 1.0 -70.192 -62.172 PHI 26 26 A 103 GLU C A 104 GLU N A 104 GLU CA A 104 GLU C 1.0 -72.916 -62.684 PHI 27 27 A 104 GLU C A 105 GLU N A 105 GLU CA A 105 GLU C 1.0 -73.203 -64.891 PHI 28 28 A 105 GLU C A 106 GLU N A 106 GLU CA A 106 GLU C 1.0 -70.244 -62.768 PHI 29 29 A 106 GLU C A 107 GLU N A 107 GLU CA A 107 GLU C 1.0 -70.697 -61.919 PHI 30 30 A 107 GLU C A 108 GLU N A 108 GLU CA A 108 GLU C 1.0 -67.584 -60.740 PHI 31 31 A 108 GLU C A 109 LEU N A 109 LEU CA A 109 LEU C 1.0 -70.106 -64.204 PHI 32 32 A 109 LEU C A 110 LEU N A 110 LEU CA A 110 LEU C 1.0 -70.471 -62.691 PHI 33 33 A 110 LEU C A 111 ARG N A 111 ARG CA A 111 ARG C 1.0 -71.528 -62.672 PHI 34 34 A 111 ARG C A 112 LYS N A 112 LYS CA A 112 LYS C 1.0 -69.245 -60.251 PHI 35 35 A 112 LYS C A 113 ALA N A 113 ALA CA A 113 ALA C 1.0 -69.813 -62.619 PHI 36 36 A 113 ALA C A 114 ILE N A 114 ILE CA A 114 ILE C 1.0 -68.482 -61.956 PHI 37 37 A 114 ILE C A 115 ALA N A 115 ALA CA A 115 ALA C 1.0 -72.432 -64.164 PHI 38 38 A 115 ALA C A 116 GLU N A 116 GLU CA A 116 GLU C 1.0 -69.069 -61.469 PHI 39 39 A 116 GLU C A 117 SER N A 117 SER CA A 117 SER C 1.0 -72.708 -64.802 PHI 40 40 A 117 SER C A 118 LEU N A 118 LEU CA A 118 LEU C 1.0 -71.315 -61.861 PHI 41 41 A 118 LEU C A 119 ASN N A 119 ASN CA A 119 ASN C 1.0 -74.063 -64.055 PHI 42 42 A 119 ASN C A 120 SER N A 120 SER CA A 120 SER C 1.0 -104.558 -76.396 PHI 43 43 A 120 SER C A 121 CYS N A 121 CYS CA A 121 CYS C 1.0 -86.302 -64.666 PHI 44 44 A 121 CYS C A 122 ARG N A 122 ARG CA A 122 ARG C 1.0 -120.777 -76.841 PHI 45 45 A 122 ARG C A 123 PRO N A 123 PRO CA A 123 PRO C 1.0 -73.123 -58.569 PHI 46 46 A 123 PRO C A 124 SER N A 124 SER CA A 124 SER C 1.0 -70.133 -54.817 PHI 47 47 A 124 SER C A 125 ASP N A 125 ASP CA A 125 ASP C 1.0 -73.467 -57.119 PHI 48 48 A 125 ASP C A 126 ALA N A 126 ALA CA A 126 ALA C 1.0 -83.245 -60.001 PHI 49 49 A 126 ALA C A 127 SER N A 127 SER CA A 127 SER C 1.0 -90.986 -59.888 PHI 50 50 A 127 SER C A 128 ALA N A 128 ALA CA A 128 ALA C 1.0 -103.611 -78.891 PHI 51 51 A 128 ALA C A 129 THR N A 129 THR CA A 129 THR C 1.0 79.027 95.065 PHI 52 52 A 129 THR C A 130 ARG N A 130 ARG CA A 130 ARG C 1.0 -88.257 -66.467 PHI 53 53 A 130 ARG C A 131 SER N A 131 SER CA A 131 SER C 1.0 -91.534 -71.152 PHI 54 54 A 74 ARG C A 74 ARG N A 74 ARG CA A 75 LYS C 1.0 -28.331 -10.489 . 55 55 A 75 LYS C A 75 LYS N A 75 LYS CA A 76 ILE C 1.0 -6.875 15.155 . 56 56 A 76 ILE C A 76 ILE N A 76 ILE CA A 77 ALA C 1.0 124.641 142.385 . 57 57 A 77 ALA C A 77 ALA N A 77 ALA CA A 78 GLN C 1.0 106.024 168.290 . 58 58 A 78 GLN C A 78 GLN N A 78 GLN CA A 79 MET C 1.0 116.814 155.636 . 59 59 A 79 MET C A 79 MET N A 79 MET CA A 80 THR C 1.0 131.361 151.627 . 60 60 A 80 THR C A 80 THR N A 80 THR CA A 83 GLU C 1.0 155.238 167.220 . 61 61 A 83 GLU C A 83 GLU N A 83 GLU CA A 84 GLN C 1.0 -43.464 -30.848 . 62 62 A 84 GLN C A 84 GLN N A 84 GLN CA A 85 PHE C 1.0 -45.265 -35.869 . 63 63 A 85 PHE C A 85 PHE N A 85 PHE CA A 86 ALA C 1.0 -42.200 -30.872 . 64 64 A 86 ALA C A 86 ALA N A 86 ALA CA A 87 LEU C 1.0 -48.817 -37.353 . 65 65 A 87 LEU C A 87 LEU N A 87 LEU CA A 88 ALA C 1.0 -41.769 -33.413 . 66 66 A 88 ALA C A 88 ALA N A 88 ALA CA A 89 LEU C 1.0 -48.270 -34.014 . 67 67 A 89 LEU C A 89 LEU N A 89 LEU CA A 90 LYS C 1.0 -43.245 -31.827 . 68 68 A 90 LYS C A 90 LYS N A 90 LYS CA A 91 MET C 1.0 -44.572 -34.172 . 69 69 A 91 MET C A 91 MET N A 91 MET CA A 92 SER C 1.0 -41.192 -30.678 . 70 70 A 92 SER C A 92 SER N A 92 SER CA A 93 GLU C 1.0 -42.159 -29.321 . 71 71 A 93 GLU C A 93 GLU N A 93 GLU CA A 94 GLN C 1.0 -40.707 -25.865 . 72 72 A 94 GLN C A 94 GLN N A 94 GLN CA A 95 GLU C 1.0 -37.321 -24.009 . 73 73 A 95 GLU C A 95 GLU N A 95 GLU CA A 96 ALA C 1.0 -35.802 -15.282 . 74 74 A 96 ALA C A 96 ALA N A 96 ALA CA A 97 ARG C 1.0 -21.964 10.592 . 75 75 A 97 ARG C A 97 ARG N A 97 ARG CA A 98 GLU C 1.0 -50.295 35.321 . 76 76 A 100 ASN C A 100 ASN N A 100 ASN CA A 101 SER C 1.0 129.992 151.516 . 77 77 A 101 SER C A 101 SER N A 101 SER CA A 102 GLN C 1.0 128.642 159.936 . 78 78 A 102 GLN C A 102 GLN N A 102 GLN CA A 103 GLU C 1.0 -43.869 -19.597 . 79 79 A 103 GLU C A 103 GLU N A 103 GLU CA A 104 GLU C 1.0 -41.529 -28.931 . 80 80 A 104 GLU C A 104 GLU N A 104 GLU CA A 105 GLU C 1.0 -39.937 -31.075 . 81 81 A 105 GLU C A 105 GLU N A 105 GLU CA A 106 GLU C 1.0 -42.344 -32.926 . 82 82 A 106 GLU C A 106 GLU N A 106 GLU CA A 107 GLU C 1.0 -44.780 -34.498 . 83 83 A 107 GLU C A 107 GLU N A 107 GLU CA A 108 GLU C 1.0 -44.319 -32.007 . 84 84 A 108 GLU C A 108 GLU N A 108 GLU CA A 109 LEU C 1.0 -44.041 -36.397 . 85 85 A 109 LEU C A 109 LEU N A 109 LEU CA A 110 LEU C 1.0 -44.231 -34.861 . 86 86 A 110 LEU C A 110 LEU N A 110 LEU CA A 111 ARG C 1.0 -46.335 -35.833 . 87 87 A 111 ARG C A 111 ARG N A 111 ARG CA A 112 LYS C 1.0 -44.296 -35.012 . 88 88 A 112 LYS C A 112 LYS N A 112 LYS CA A 113 ALA C 1.0 -43.544 -34.136 . 89 89 A 113 ALA C A 113 ALA N A 113 ALA CA A 114 ILE C 1.0 -43.601 -33.809 . 90 90 A 114 ILE C A 114 ILE N A 114 ILE CA A 115 ALA C 1.0 -42.130 -35.636 . 91 91 A 115 ALA C A 115 ALA N A 115 ALA CA A 116 GLU C 1.0 -46.121 -36.927 . 92 92 A 116 GLU C A 116 GLU N A 116 GLU CA A 117 SER C 1.0 -42.118 -32.708 . 93 93 A 117 SER C A 117 SER N A 117 SER CA A 118 LEU C 1.0 -41.725 -31.583 . 94 94 A 118 LEU C A 118 LEU N A 118 LEU CA A 119 ASN C 1.0 -40.074 -24.586 . 95 95 A 119 ASN C A 119 ASN N A 119 ASN CA A 120 SER C 1.0 -34.730 -15.876 . 96 96 A 120 SER C A 120 SER N A 120 SER CA A 121 CYS C 1.0 -16.206 9.750 . 97 97 A 121 CYS C A 121 CYS N A 121 CYS CA A 122 ARG C 1.0 130.890 157.306 . 98 98 A 122 ARG C A 122 ARG N A 122 ARG CA A 123 PRO C 1.0 141.784 165.638 . 99 99 A 123 PRO C A 123 PRO N A 123 PRO CA A 124 SER C 1.0 129.869 149.543 . 100 100 A 124 SER C A 124 SER N A 124 SER CA A 125 ASP C 1.0 140.181 158.549 . 101 101 A 125 ASP C A 125 ASP N A 125 ASP CA A 126 ALA C 1.0 138.138 160.834 . 102 102 A 126 ALA C A 126 ALA N A 126 ALA CA A 127 SER C 1.0 121.159 161.217 . 103 103 A 127 SER C A 127 SER N A 127 SER CA A 128 ALA C 1.0 -33.489 -3.839 . 104 104 A 128 ALA C A 128 ALA N A 128 ALA CA A 129 THR C 1.0 -16.935 13.347 . 105 105 A 129 THR C A 129 THR N A 129 THR CA A 130 ARG C 1.0 -6.560 15.538 . 106 106 A 130 ARG C A 130 ARG N A 130 ARG CA A 131 SER C 1.0 130.937 153.939 . 107 107 A 76 ILE N A 76 ILE CA A 76 ILE CB A 76 ILE CG1 1.0 -100.000 -20.000 CHI1 108 108 A 78 GLN N A 78 GLN CA A 78 GLN CB A 78 GLN CG 1.0 -90.000 -30.000 CHI1 109 109 A 80 THR N A 80 THR CA A 80 THR CB A 80 THR OG1 1.0 5.000 115.000 CHI1 110 110 A 90 LYS N A 90 LYS CA A 90 LYS CB A 90 LYS CG 1.0 -90.000 -30.000 CHI1 111 111 A 94 GLN N A 94 GLN CA A 94 GLN CB A 94 GLN CG 1.0 -90.000 -30.000 CHI1 112 112 A 95 GLU N A 95 GLU CA A 95 GLU CB A 95 GLU CG 1.0 -90.000 -30.000 CHI1 113 113 A 105 GLU N A 105 GLU CA A 105 GLU CB A 105 GLU CG 1.0 -90.000 -30.000 CHI1 114 114 A 110 LEU N A 110 LEU CA A 110 LEU CB A 110 LEU CG 1.0 -90.000 -30.000 CHI1 115 115 A 119 ASN N A 119 ASN CA A 119 ASN CB A 119 ASN CG 1.0 -90.000 -30.000 CHI1 stop_ save_