data_nef_c34032_5lo3 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 5LO3 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 1 ACE C 1 2 PRO N 1 20 LYS C 1 21 0A1 N 1 21 0A1 C 1 22 GLN N 1 27 LYS C 1 28 0A1 N 1 28 0A1 C 1 29 GLN N 1 34 ASP C 1 35 0A1 N 1 35 0A1 C 1 36 NH2 N stop_ 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 0 ACE start . . 2 A 1 PRO middle -H false 3 A 2 PRO middle . false 4 A 3 THR middle . . 5 A 4 LYS middle . . 6 A 5 PRO middle . false 7 A 6 THR middle . . 8 A 7 LYS middle . . 9 A 8 PRO middle . false 10 A 9 GLY middle . false 11 A 10 ASP middle . . 12 A 11 ASN middle . . 13 A 12 ALA middle . . 14 A 13 THR middle . . 15 A 14 PRO middle . false 16 A 15 GLU middle . . 17 A 16 LYS middle . . 18 A 17 LEU middle . . 19 A 18 ALA middle . . 20 A 19 LYS middle -OXT . 21 A 20 0A1 middle -OXT . 22 A 21 GLN middle -H2 . 23 A 22 ALA middle . . 24 A 23 ASP middle . . 25 A 24 LEU middle . . 26 A 25 ALA middle . . 27 A 26 LYS middle -OXT . 28 A 27 0A1 middle -OXT . 29 A 28 GLN middle -H2 . 30 A 29 LYS middle . . 31 A 30 ASP middle . . 32 A 31 LEU middle . . 33 A 32 ALA middle . . 34 A 33 ASP middle -OXT . 35 A 34 0A1 middle -OXT . 36 A 35 NH2 end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 0 ACE H% H 1 2.087 0.002 A 0 ACE CH3 C 13 25.987 0.000 A 1 PRO HA H 1 3.496 0.001 A 1 PRO HBy H 1 1.855 0.007 A 1 PRO HBx H 1 1.700 0.004 A 1 PRO HDx H 1 3.441 0.002 A 1 PRO HDy H 1 3.564 0.002 A 1 PRO HGx H 1 1.861 0.005 A 1 PRO HGy H 1 1.861 0.005 A 1 PRO CA C 13 62.471 0.000 A 1 PRO CD C 13 53.074 0.080 A 2 PRO HA H 1 4.515 0.001 A 2 PRO HBx H 1 2.081 0.004 A 2 PRO HBy H 1 2.442 0.005 A 2 PRO HDy H 1 3.477 0.003 A 2 PRO HDx H 1 3.077 0.008 A 2 PRO HGx H 1 1.612 0.008 A 2 PRO HGy H 1 1.613 0.006 A 3 THR H H 1 8.676 0.002 A 3 THR HA H 1 4.112 0.002 A 3 THR HB H 1 3.939 0.003 A 3 THR HG2% H 1 1.194 0.003 A 3 THR CA C 13 64.284 0.000 A 3 THR CB C 13 72.155 0.000 A 3 THR CG2 C 13 23.790 0.000 A 3 THR N N 15 117.149 0.000 A 4 LYS H H 1 8.804 0.011 A 4 LYS HA H 1 2.949 0.004 A 4 LYS HBx H 1 1.076 0.005 A 4 LYS HBy H 1 1.140 0.000 A 4 LYS HDx H 1 0.603 0.005 A 4 LYS HDy H 1 1.517 0.007 A 4 LYS HEx H 1 2.836 0.001 A 4 LYS HEy H 1 2.836 0.001 A 4 LYS HG2 H 1 1.197 0.006 A 4 LYS HG3 H 1 1.196 0.006 A 4 LYS CA C 13 56.666 0.000 A 4 LYS N N 15 129.174 0.000 A 5 PRO HA H 1 4.542 0.003 A 5 PRO HBy H 1 2.390 0.003 A 5 PRO HBx H 1 2.116 0.006 A 5 PRO HDy H 1 3.259 0.003 A 5 PRO HDx H 1 3.157 0.004 A 5 PRO HGx H 1 1.701 0.004 A 5 PRO HGy H 1 1.739 0.000 A 6 THR H H 1 8.768 0.002 A 6 THR HA H 1 4.299 0.002 A 6 THR HB H 1 3.941 0.002 A 6 THR HG2% H 1 1.140 0.002 A 6 THR CA C 13 63.553 0.000 A 6 THR N N 15 115.782 0.000 A 7 LYS H H 1 8.780 0.016 A 7 LYS HA H 1 3.324 0.004 A 7 LYS HB2 H 1 1.552 0.001 A 7 LYS HDx H 1 1.307 0.003 A 7 LYS HDy H 1 1.411 0.003 A 7 LYS HE2 H 1 2.938 0.004 A 7 LYS HE3 H 1 2.939 0.004 A 7 LYS HG2 H 1 0.992 0.004 A 7 LYS HG3 H 1 0.992 0.004 A 7 LYS CA C 13 56.970 0.000 A 7 LYS N N 15 127.647 0.000 A 8 PRO HA H 1 4.361 0.002 A 8 PRO HBx H 1 1.778 0.005 A 8 PRO HBy H 1 2.158 0.007 A 8 PRO HDx H 1 2.819 0.005 A 8 PRO HDy H 1 2.975 0.013 A 8 PRO HGx H 1 1.687 0.013 A 8 PRO HGy H 1 1.688 0.015 A 8 PRO CA C 13 64.661 0.000 A 9 GLY H H 1 8.373 0.001 A 9 GLY HAy H 1 4.017 0.006 A 9 GLY HAx H 1 3.883 0.006 A 9 GLY CA C 13 46.234 0.025 A 9 GLY N N 15 107.116 0.000 A 10 ASP H H 1 8.547 0.001 A 10 ASP HA H 1 4.335 0.007 A 10 ASP HBy H 1 2.654 0.008 A 10 ASP HBx H 1 2.523 0.003 A 10 ASP N N 15 118.154 0.000 A 11 ASN H H 1 8.649 0.001 A 11 ASN HA H 1 4.672 0.001 A 11 ASN HB2 H 1 2.862 0.002 A 11 ASN HB3 H 1 2.862 0.002 A 11 ASN HD21 H 1 7.725 0.001 A 11 ASN HD22 H 1 7.026 0.000 A 11 ASN CA C 13 54.762 0.000 A 11 ASN CB C 13 39.575 0.000 A 11 ASN N N 15 115.114 0.000 A 11 ASN ND2 N 15 112.473 0.003 A 12 ALA H H 1 7.444 0.001 A 12 ALA HA H 1 4.291 0.001 A 12 ALA HB% H 1 1.394 0.002 A 12 ALA CA C 13 54.600 0.000 A 12 ALA CB C 13 21.874 0.000 A 12 ALA N N 15 121.220 0.000 A 13 THR H H 1 7.723 0.002 A 13 THR HA H 1 4.575 0.001 A 13 THR HB H 1 4.830 0.001 A 13 THR HG2% H 1 1.454 0.001 A 13 THR CA C 13 61.786 0.000 A 13 THR CB C 13 70.428 0.000 A 13 THR N N 15 110.544 0.000 A 14 PRO HA H 1 4.253 0.002 A 14 PRO HBx H 1 1.977 0.005 A 14 PRO HBy H 1 1.978 0.003 A 14 PRO HDy H 1 3.983 0.002 A 14 PRO HDx H 1 3.925 0.003 A 14 PRO HGy H 1 2.261 0.002 A 14 PRO HGx H 1 2.091 0.004 A 14 PRO CA C 13 67.795 0.000 A 14 PRO CD C 13 52.382 0.000 A 15 GLU H H 1 9.071 0.001 A 15 GLU HA H 1 4.162 0.004 A 15 GLU HBy H 1 2.140 0.002 A 15 GLU HBx H 1 1.970 0.002 A 15 GLU HGy H 1 2.418 0.013 A 15 GLU HGx H 1 2.339 0.001 A 15 GLU CG C 13 38.681 0.022 A 15 GLU N N 15 117.006 0.000 A 16 LYS H H 1 7.873 0.001 A 16 LYS HA H 1 4.180 0.018 A 16 LYS HBx H 1 1.837 0.004 A 16 LYS HBy H 1 2.077 0.002 A 16 LYS N N 15 121.320 0.000 A 17 LEU H H 1 8.407 0.007 A 17 LEU HA H 1 4.145 0.004 A 17 LEU HBy H 1 1.878 0.002 A 17 LEU HBx H 1 1.658 0.004 A 17 LEU HDx% H 1 0.867 0.006 A 17 LEU HDy% H 1 0.891 0.003 A 17 LEU N N 15 121.053 0.000 A 18 ALA H H 1 8.426 0.005 A 18 ALA HA H 1 4.249 0.004 A 18 ALA HB% H 1 1.517 0.003 A 18 ALA N N 15 121.613 0.000 A 19 LYS H H 1 8.036 0.002 A 19 LYS HA H 1 4.207 0.003 A 19 LYS HBx H 1 1.970 0.002 A 19 LYS HBy H 1 2.036 0.004 A 19 LYS N N 15 120.275 0.000 A 20 0A1 HA H 1 4.591 0.002 A 20 0A1 HBC1 H 1 3.035 0.000 A 20 0A1 HBC2 H 1 3.193 0.038 A 20 0A1 HD1 H 1 7.254 0.003 A 20 0A1 HD2 H 1 7.253 0.003 A 20 0A1 HE1 H 1 6.716 0.003 A 20 0A1 HE2 H 1 6.717 0.004 A 20 0A1 HMC% H 1 3.768 0.001 A 20 0A1 CD1 C 13 135.192 0.000 A 20 0A1 CD2 C 13 135.192 0.000 A 20 0A1 CE1 C 13 118.285 0.000 A 20 0A1 CE2 C 13 118.285 0.000 A 20 0A1 CM C 13 59.823 0.000 A 20 0A1 N N 15 118.290 0.000 A 21 GLN H H 1 8.092 0.001 A 21 GLN HA H 1 3.661 0.002 A 21 GLN HBy H 1 2.204 0.006 A 21 GLN HBx H 1 2.171 0.011 A 21 GLN HE21 H 1 7.761 0.001 A 21 GLN HE22 H 1 7.097 0.001 A 21 GLN HG2 H 1 2.624 0.002 A 21 GLN HG3 H 1 2.624 0.002 A 21 GLN CA C 13 60.753 0.000 A 21 GLN N N 15 115.760 0.000 A 21 GLN NE2 N 15 111.415 0.005 A 22 ALA H H 1 7.985 0.006 A 22 ALA HA H 1 4.236 0.003 A 22 ALA HB% H 1 1.563 0.003 A 22 ALA CB C 13 19.947 0.000 A 22 ALA N N 15 122.593 0.000 A 23 ASP H H 1 9.223 0.001 A 23 ASP HA H 1 4.426 0.004 A 23 ASP HBy H 1 2.850 0.002 A 23 ASP HBx H 1 2.465 0.015 A 23 ASP N N 15 121.498 0.000 A 24 LEU H H 1 9.145 0.001 A 24 LEU HA H 1 3.916 0.004 A 24 LEU HBx H 1 1.424 0.022 A 24 LEU HBy H 1 1.597 0.005 A 24 LEU HDx% H 1 0.867 0.002 A 24 LEU HDy% H 1 0.788 0.008 A 24 LEU CA C 13 59.793 0.000 A 24 LEU N N 15 124.356 0.000 A 25 ALA H H 1 7.799 0.001 A 25 ALA HA H 1 4.202 0.000 A 25 ALA HB% H 1 1.517 0.003 A 25 ALA N N 15 121.057 0.000 A 26 LYS H H 1 7.933 0.001 A 26 LYS HA H 1 4.106 0.008 A 26 LYS HBy H 1 2.014 0.004 A 26 LYS HBx H 1 1.929 0.005 A 26 LYS HG2 H 1 1.520 0.002 A 26 LYS HG3 H 1 1.520 0.002 A 26 LYS N N 15 119.219 0.000 A 27 0A1 HA H 1 4.429 0.004 A 27 0A1 HBCy H 1 3.321 0.001 A 27 0A1 HBCx H 1 3.256 0.001 A 27 0A1 HD1 H 1 7.112 0.003 A 27 0A1 HD2 H 1 7.111 0.002 A 27 0A1 HE1 H 1 6.808 0.002 A 27 0A1 HE2 H 1 6.808 0.002 A 27 0A1 HMC% H 1 3.815 0.006 A 27 0A1 CD1 C 13 135.481 0.000 A 27 0A1 CD2 C 13 135.481 0.000 A 27 0A1 CE1 C 13 118.440 0.000 A 27 0A1 CE2 C 13 118.440 0.000 A 27 0A1 CM C 13 59.874 0.000 A 27 0A1 N N 15 119.392 0.000 A 28 GLN H H 1 8.376 0.001 A 28 GLN HA H 1 3.606 0.003 A 28 GLN HB2 H 1 2.204 0.006 A 28 GLN HB3 H 1 2.204 0.006 A 28 GLN HE21 H 1 7.531 0.001 A 28 GLN HE22 H 1 7.017 0.001 A 28 GLN HGy H 1 2.705 0.003 A 28 GLN HGx H 1 2.575 0.003 A 28 GLN CA C 13 60.777 0.000 A 28 GLN N N 15 115.966 0.000 A 28 GLN NE2 N 15 109.667 0.009 A 29 LYS H H 1 7.658 0.001 A 29 LYS HA H 1 4.101 0.005 A 29 LYS HBx H 1 1.911 0.007 A 29 LYS HBy H 1 2.052 0.003 A 29 LYS HGx H 1 1.513 0.005 A 29 LYS HGy H 1 1.514 0.006 A 29 LYS N N 15 120.923 0.000 A 30 ASP H H 1 9.001 0.002 A 30 ASP HA H 1 4.322 0.003 A 30 ASP HBx H 1 2.519 0.002 A 30 ASP HBy H 1 2.747 0.002 A 30 ASP N N 15 120.000 0.000 A 31 LEU H H 1 8.846 0.001 A 31 LEU HA H 1 3.830 0.007 A 31 LEU HBy H 1 1.509 0.007 A 31 LEU HBx H 1 0.896 0.002 A 31 LEU HDx% H 1 0.752 0.015 A 31 LEU HDy% H 1 0.791 0.003 A 31 LEU N N 15 121.342 0.000 A 32 ALA H H 1 7.595 0.001 A 32 ALA HA H 1 4.110 0.003 A 32 ALA HB% H 1 1.519 0.002 A 32 ALA N N 15 121.669 0.000 A 33 ASP H H 1 8.136 0.001 A 33 ASP HA H 1 4.430 0.001 A 33 ASP HB2 H 1 2.696 0.002 A 33 ASP HB3 H 1 2.696 0.002 A 33 ASP N N 15 116.623 0.000 A 34 0A1 HA H 1 4.185 0.002 A 34 0A1 HBCy H 1 3.221 0.003 A 34 0A1 HBCx H 1 3.085 0.002 A 34 0A1 HD1 H 1 7.249 0.003 A 34 0A1 HD2 H 1 7.248 0.002 A 34 0A1 HE1 H 1 6.912 0.001 A 34 0A1 HE2 H 1 6.912 0.001 A 34 0A1 HMC% H 1 3.801 0.001 A 34 0A1 CD1 C 13 135.315 0.000 A 34 0A1 CD2 C 13 135.315 0.000 A 34 0A1 CE1 C 13 118.714 0.000 A 34 0A1 CE2 C 13 118.714 0.000 A 34 0A1 CM C 13 59.877 0.000 A 34 0A1 N N 15 120.599 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _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 23 ASP H A 22 ALA H 1.0 1.664 3.058 2 2 A 23 ASP H A 23 ASP HA 1.0 1.719 3.283 3 3 A 23 ASP H A 23 ASP HBy 1.0 1.748 3.412 4 4 A 23 ASP H A 22 ALA HB% 1.0 1.628 2.922 5 5 A 22 ALA H A 22 ALA HB% 1.0 1.521 2.563 6 6 A 22 ALA H A 22 ALA HA 1.0 1.657 3.031 7 7 A 24 LEU H A 25 ALA H 1.0 1.696 3.186 8 8 A 25 ALA H A 25 ALA HA 1.0 1.683 3.131 9 9 A 25 ALA H A 25 ALA HB% 1.0 1.514 2.544 10 10 A 26 LYS H A 26 LYS HG2 1.0 1.607 2.847 11 11 A 9 GLY H A 8 PRO HA 1.0 1.540 2.624 12 12 A 28 GLN HE21 A 28 GLN HE22 1.0 1.321 2.019 13 13 A 11 ASN HD22 A 11 ASN HD21 1.0 1.315 2.003 14 14 A 21 GLN HE21 A 21 GLN HE22 1.0 1.328 2.034 15 15 A 13 THR H A 13 THR HA 1.0 1.729 3.327 16 16 A 13 THR H A 13 THR HG2% 1.0 1.552 2.660 17 17 A 29 LYS H A 29 LYS HBy 1.0 2.100 3.602 18 18 A 29 LYS H A 29 LYS HBx 1.0 2.160 3.542 19 19 A 29 LYS H A 29 LYS HA 1.0 1.673 3.093 20 20 A 29 LYS H A 28 GLN H 1.0 1.702 3.208 21 21 A 29 LYS H A 30 ASP H 1.0 1.689 3.157 22 22 A 28 GLN H A 28 GLN HGy 1.0 1.967 3.703 23 23 A 28 GLN HE21 A 28 GLN HGx 1.0 1.878 4.144 24 24 A 11 ASN HD22 A 11 ASN HB3 1.0 1.649 2.999 25 25 A 30 ASP H A 31 LEU H 1.0 1.799 3.667 26 26 A 30 ASP H A 30 ASP HBy 1.0 1.750 3.424 27 27 A 31 LEU H A 32 ALA H 1.0 1.725 3.309 28 28 A 31 LEU H A 31 LEU HBy 1.0 1.730 3.332 29 29 A 32 ALA H A 33 ASP H 1.0 1.696 3.184 30 30 A 19 LYS H A 18 ALA H 1.0 1.664 3.058 31 31 A 16 LYS H A 17 LEU H 1.0 1.664 3.054 32 32 A 19 LYS H A 19 LYS HBy 1.0 1.663 3.055 33 33 A 18 ALA H A 18 ALA HB% 1.0 1.497 2.493 34 34 A 19 LYS H A 19 LYS HBx 1.0 1.672 3.088 35 35 A 18 ALA H A 18 ALA HA 1.0 1.640 2.968 36 36 A 12 ALA H A 11 ASN H 1.0 1.763 3.483 37 37 A 16 LYS H A 15 GLU H 1.0 1.714 3.258 38 38 A 9 GLY H A 9 GLY HAy 1.0 1.705 3.223 39 39 A 9 GLY HAx A 10 ASP H 1.0 1.748 3.416 40 40 A 10 ASP H A 10 ASP HBx 1.0 2.027 3.615 41 41 A 10 ASP H A 10 ASP HBy 1.0 1.771 3.521 42 42 A 9 GLY HAy A 10 ASP H 1.0 1.702 3.210 43 43 A 9 GLY H A 9 GLY HAx 1.0 1.685 3.139 44 44 A 28 GLN H A 28 GLN HA 1.0 1.738 3.366 45 45 A 12 ALA H A 12 ALA HB% 1.0 1.513 2.539 46 46 A 6 THR HA A 7 LYS H 1.0 1.502 2.508 47 47 A 22 ALA H A 21 GLN HA 1.0 1.910 4.394 48 48 A 11 ASN H A 11 ASN HA 1.0 1.726 3.314 49 49 A 15 GLU H A 15 GLU HA 1.0 1.673 3.093 50 50 A 32 ALA H A 32 ALA HB% 1.0 1.489 2.469 51 51 A 4 LYS H A 4 LYS HBy 1.0 1.706 3.226 52 52 A 24 LEU H A 24 LEU HDx% 1.0 2.106 3.630 53 53 A 1 PRO HDy A 1 PRO HDx 1.0 1.437 2.319 54 54 A 14 PRO HDy A 13 THR HB 1.0 2.283 3.735 55 55 A 13 THR HB A 14 PRO HDx 1.0 1.743 3.389 56 56 A 13 THR HA A 14 PRO HDx 1.0 1.530 2.594 57 57 A 13 THR HA A 14 PRO HDy 1.0 2.142 3.476 58 58 A 14 PRO HDx A 14 PRO HGy 1.0 1.750 3.424 59 59 A 17 LEU HA A 17 LEU HDx% 1.0 1.556 2.676 60 60 A 13 THR HA A 13 THR HG2% 1.0 1.569 2.719 61 61 A 14 PRO HDx A 14 PRO HGx 1.0 1.753 3.437 62 62 A 14 PRO HDy A 14 PRO HGx 1.0 1.753 3.433 63 63 A 7 LYS HA A 8 PRO HDy 1.0 1.583 2.763 64 64 A 7 LYS HA A 8 PRO HDx 1.0 1.626 2.912 65 65 A 8 PRO HDy A 8 PRO HDx 1.0 1.524 2.574 66 66 A 6 THR H A 5 PRO HA 1.0 1.521 2.563 67 67 A 4 LYS H A 3 THR HA 1.0 2.360 3.284 68 68 A 6 THR H A 6 THR HB 1.0 2.221 3.699 69 69 A 3 THR H A 3 THR HB 1.0 2.228 3.524 70 70 A 3 THR HA A 3 THR H 1.0 1.755 3.449 71 71 A 3 THR H A 2 PRO HA 1.0 1.488 2.464 72 72 A 3 THR HA A 3 THR HB 1.0 1.593 2.797 73 73 A 7 LYS H A 7 LYS HBy 1.0 1.749 3.419 74 74 A 7 LYS H A 7 LYS HA 1.0 1.750 3.422 75 75 A 13 THR HA A 13 THR HB 1.0 1.752 3.432 76 76 A 14 PRO HGy A 14 PRO HGx 1.0 1.497 2.491 77 77 A 16 LYS HBx A 16 LYS HBy 1.0 1.565 2.705 78 78 A 17 LEU HA A 17 LEU HBx 1.0 1.751 3.429 79 79 A 17 LEU HA A 17 LEU HBy 1.0 1.780 3.568 80 80 A 24 LEU H A 24 LEU HBy 1.0 1.707 3.229 81 81 A 24 LEU HA A 24 LEU HDy% 1.0 1.607 2.847 82 82 A 24 LEU HA A 24 LEU HBy 1.0 1.742 3.386 83 83 A 24 LEU HBy A 24 LEU HDy% 1.0 1.640 2.966 84 84 A 24 LEU HDx% A 24 LEU HBy 1.0 1.566 2.706 85 85 A 24 LEU HA A 24 LEU HBx 1.0 1.934 4.608 86 86 A 26 LYS H A 26 LYS HBy 1.0 2.179 3.617 87 87 A 26 LYS H A 26 LYS HBx 1.0 2.170 3.580 88 88 A 30 ASP H A 30 ASP HA 1.0 1.725 3.311 89 89 A 29 LYS HBx A 30 ASP H 1.0 1.777 3.551 90 90 A 31 LEU H A 31 LEU HA 1.0 1.773 3.535 91 91 A 31 LEU H A 30 ASP HBy 1.0 1.872 4.102 92 92 A 1 PRO HDy A 1 PRO HGy 1.0 1.796 3.648 93 93 A 1 PRO HBy A 1 PRO HA 1.0 1.708 3.234 94 94 A 1 PRO HDx A 1 PRO HGx 1.0 1.761 3.475 95 95 A 4 LYS H A 4 LYS HA 1.0 1.749 3.417 96 96 A 31 LEU H A 31 LEU HBx 1.0 1.697 3.191 97 97 A 2 PRO HDx A 2 PRO HDy 1.0 1.527 2.585 98 98 A 15 GLU H A 14 PRO HA 1.0 1.732 3.338 99 99 A 11 ASN H A 10 ASP HA 1.0 1.746 3.406 100 100 A 5 PRO HGy A 5 PRO HDx 1.0 1.732 3.338 101 101 A 5 PRO HGy A 5 PRO HDy 1.0 1.681 3.125 102 102 A 28 GLN HA A 31 LEU HBx 1.0 1.764 3.486 103 103 A 21 GLN HA A 24 LEU HBy 1.0 1.747 3.409 104 104 A 21 GLN HA A 21 GLN HBy 1.0 1.663 3.051 105 105 A 8 PRO HA A 8 PRO HBx 1.0 1.674 3.098 106 106 A 4 LYS HBy A 4 LYS HDy 1.0 2.028 3.620 107 107 A 21 GLN HG3 A 21 GLN H 1.0 1.655 3.021 108 108 A 21 GLN H A 21 GLN HBx 1.0 1.729 3.327 109 109 A 21 GLN HA A 21 GLN H 1.0 1.724 3.302 110 110 A 18 ALA HA A 21 GLN H 1.0 1.807 3.707 111 111 A 7 LYS H A 7 LYS HDx 1.0 2.292 4.370 112 112 A 17 LEU H A 17 LEU HBy 1.0 2.166 3.566 113 113 A 17 LEU H A 17 LEU HBx 1.0 1.682 3.130 114 114 A 19 LYS H A 18 ALA HB% 1.0 1.638 2.956 115 115 A 16 LYS H A 16 LYS HBx 1.0 2.085 3.539 116 116 A 25 ALA H A 24 LEU HBy 1.0 1.765 3.491 117 117 A 13 THR HG2% A 13 THR HB 1.0 1.568 2.714 118 118 A 5 PRO HA A 5 PRO HBx 1.0 1.730 3.332 119 119 A 2 PRO HA A 2 PRO HBx 1.0 1.656 3.026 120 120 A 10 ASP HBy A 10 ASP HA 1.0 1.534 2.604 121 121 A 2 PRO HBx A 2 PRO HBy 1.0 1.513 2.539 122 122 A 5 PRO HBx A 5 PRO HBy 1.0 1.556 2.674 123 123 A 15 GLU HBy A 15 GLU HBx 1.0 1.452 2.358 124 124 A 15 GLU HBy A 15 GLU HGx 1.0 1.479 2.439 125 125 A 10 ASP HBx A 10 ASP HBy 1.0 1.360 2.116 126 126 A 31 LEU HBy A 31 LEU HBx 1.0 1.584 2.768 127 127 A 17 LEU HBy A 17 LEU HDy% 1.0 1.662 3.050 128 128 A 24 LEU HDy% A 24 LEU HBx 1.0 1.523 2.569 129 129 A 22 ALA HB% A 22 ALA HA 1.0 1.433 2.309 130 130 A 25 ALA HA A 25 ALA HB% 1.0 1.430 2.300 131 131 A 19 LYS HBx A 16 LYS HA 1.0 1.678 3.112 132 132 A 22 ALA H A 21 GLN HBx 1.0 1.838 3.884 133 133 A 22 ALA H A 21 GLN HBy 1.0 1.872 4.102 134 134 A 23 ASP HA A 23 ASP HBx 1.0 1.780 3.570 135 135 A 4 LYS HBy A 4 LYS HA 1.0 1.770 3.518 136 136 A 5 PRO HDx A 5 PRO HGx 1.0 1.758 3.460 137 137 A 5 PRO HA A 5 PRO HBy 1.0 1.765 3.491 138 138 A 15 GLU HA A 15 GLU HGx 1.0 2.037 3.661 139 139 A 8 PRO HA A 8 PRO HBy 1.0 1.741 3.379 140 140 A 15 GLU H A 14 PRO HDy 1.0 1.827 3.819 141 141 A 24 LEU H A 24 LEU HA 1.0 1.759 3.463 142 142 A 5 PRO HDx A 5 PRO HDy 1.0 1.427 2.291 143 143 A 17 LEU HA A 8 PRO HGy 1.0 2.085 3.541 144 144 A 28 GLN HGy A 28 GLN HGx 1.0 1.428 2.292 145 145 A 23 ASP HBy A 23 ASP HBx 1.0 1.589 2.783 146 146 A 30 ASP HBy A 30 ASP HBx 1.0 1.579 2.751 147 147 A 8 PRO HBx A 8 PRO HBy 1.0 1.569 2.719 148 148 A 6 THR H A 5 PRO HBy 1.0 1.860 4.024 149 149 A 4 LYS HA A 4 LYS HDy 1.0 1.899 3.767 150 150 A 3 THR H A 2 PRO HBy 1.0 1.848 3.944 151 151 A 31 LEU HBx A 31 LEU HDx% 1.0 1.686 3.142 152 152 A 7 LYS HA A 7 LYS HDx 1.0 2.400 4.274 153 153 A 7 LYS HA A 7 LYS HDy 1.0 2.949 5.051 154 154 A 25 ALA H A 26 LYS H 1.0 1.735 3.351 155 155 A 30 ASP H A 30 ASP HBx 1.0 1.822 3.792 156 156 A 29 LYS HBy A 30 ASP H 1.0 1.844 3.918 157 157 A 31 LEU H A 31 LEU HDy% 1.0 1.851 3.963 158 158 A 31 LEU H A 31 LEU HDx% 1.0 1.846 3.936 159 159 A 12 ALA H A 11 ASN HA 1.0 1.732 3.336 160 160 A 13 THR H A 12 ALA HA 1.0 2.345 3.441 161 161 A 3 THR H A 3 THR HG2% 1.0 1.962 3.676 162 162 A 3 THR HA A 3 THR HG2% 1.0 1.547 2.647 163 163 A 6 THR HB A 6 THR HG2% 1.0 1.544 2.638 164 164 A 6 THR HA A 6 THR HG2% 1.0 1.597 2.815 165 165 A 6 THR HA A 6 THR HB 1.0 1.717 3.273 166 166 A 6 THR HA A 6 THR H 1.0 1.853 3.977 167 167 A 16 LYS H A 16 LYS HA 1.0 1.713 3.259 168 168 A 14 PRO HDy A 14 PRO HGy 1.0 1.816 3.756 169 169 A 13 THR HG2% A 14 PRO HDx 1.0 1.798 3.656 170 170 A 13 THR HG2% A 14 PRO HDy 1.0 1.778 3.556 171 171 A 17 LEU H A 15 GLU H 1.0 1.947 4.745 172 172 A 21 GLN HBy A 21 GLN H 1.0 1.770 3.514 173 173 A 21 GLN HA A 21 GLN HBx 1.0 1.729 3.325 174 174 A 21 GLN HA A 24 LEU HDx% 1.0 1.835 3.871 175 175 A 22 ALA H A 21 GLN H 1.0 1.755 3.445 176 176 A 33 ASP H A 32 ALA HB% 1.0 1.658 3.034 177 177 A 23 ASP H A 24 LEU H 1.0 1.776 3.546 178 178 A 12 ALA H A 12 ALA HA 1.0 1.715 3.267 179 179 A 32 ALA H A 32 ALA HA 1.0 1.655 3.023 180 180 A 33 ASP H A 33 ASP HA 1.0 1.694 3.178 181 181 A 17 LEU H A 17 LEU HA 1.0 1.788 3.610 182 182 A 28 GLN H A 28 GLN HGx 1.0 1.832 3.852 183 183 A 18 ALA H A 17 LEU HBx 1.0 1.794 3.642 184 184 A 18 ALA H A 17 LEU HBy 1.0 1.829 3.827 185 185 A 17 LEU HDx% A 17 LEU HBy 1.0 1.751 3.427 186 186 A 15 GLU HBx A 15 GLU HGy 1.0 1.963 3.681 187 187 A 15 GLU HBy A 15 GLU HGy 1.0 2.112 3.654 188 188 A 31 LEU H A 30 ASP HBx 1.0 1.921 4.487 189 189 A 3 THR H A 2 PRO HBx 1.0 1.844 3.918 190 190 A 15 GLU H A 15 GLU HBy 1.0 1.742 3.384 191 191 A 4 LYS H A 4 LYS HBx 1.0 1.677 3.109 192 192 A 6 THR H A 5 PRO HBx 1.0 1.862 4.034 193 193 A 15 GLU H A 13 THR HB 1.0 1.796 3.650 194 194 A 15 GLU HA A 15 GLU HBx 1.0 1.700 3.202 195 195 A 15 GLU HA A 15 GLU HGy 1.0 2.105 3.621 196 196 A 15 GLU HA A 15 GLU HBy 1.0 1.600 2.824 197 197 A 13 THR H A 12 ALA HB% 1.0 2.229 3.827 198 198 A 16 LYS H A 15 GLU HBy 1.0 1.864 4.052 199 199 A 15 GLU H A 15 GLU HGy 1.0 1.901 4.321 200 200 A 15 GLU H A 15 GLU HGx 1.0 1.851 3.965 201 201 A 15 GLU H A 15 GLU HBx 1.0 1.761 3.473 202 202 A 17 LEU H A 17 LEU HDy% 1.0 2.775 4.541 203 203 A 17 LEU H A 17 LEU HDx% 1.0 2.787 4.601 204 204 A 13 THR HA A 15 GLU H 1.0 1.903 4.335 205 205 A 15 GLU H A 14 PRO HDx 1.0 1.901 4.319 206 206 A 13 THR H A 13 THR HB 1.0 1.922 4.494 207 207 A 23 ASP H A 22 ALA HA 1.0 1.848 3.952 208 208 A 14 PRO HDy A 15 GLU HGx 1.0 2.881 5.165 209 209 A 24 LEU H A 24 LEU HDy% 1.0 1.784 3.588 210 210 A 23 ASP H A 23 ASP HBx 1.0 1.801 3.675 211 211 A 16 LYS H A 15 GLU HBx 1.0 1.834 3.860 212 212 A 16 LYS H A 16 LYS HBy 1.0 1.777 3.551 213 213 A 28 GLN HE21 A 31 LEU HDy% 1.0 1.812 3.736 214 214 A 19 LYS H A 16 LYS HA 1.0 1.772 3.528 215 215 A 17 LEU HA A 21 GLN H 1.0 1.933 4.599 216 216 A 33 ASP H A 32 ALA HA 1.0 1.799 3.663 217 217 A 19 LYS H A 18 ALA HA 1.0 1.820 3.778 218 218 A 26 LYS H A 26 LYS HA 1.0 1.691 3.163 219 219 A 22 ALA HA A 25 ALA H 1.0 1.811 3.729 220 220 A 23 ASP HA A 26 LYS H 1.0 1.818 3.766 221 221 A 12 ALA H A 10 ASP HA 1.0 1.881 4.169 222 222 A 24 LEU H A 21 GLN HA 1.0 1.873 4.113 223 223 A 29 LYS H A 28 GLN HA 1.0 1.896 4.276 224 224 A 25 ALA H A 24 LEU HDy% 1.0 1.929 4.569 225 225 A 2 PRO HA A 2 PRO HBy 1.0 1.778 3.558 226 226 A 12 ALA HB% A 12 ALA HA 1.0 1.577 2.743 227 227 A 3 THR HB A 3 THR HG2% 1.0 1.583 2.763 228 228 A 2 PRO HDy A 1 PRO HBx 1.0 1.659 3.041 229 229 A 1 PRO HA A 1 PRO HBx 1.0 1.663 3.055 230 230 A 28 GLN HGx A 28 GLN HA 1.0 1.797 3.657 231 231 A 28 GLN HGy A 28 GLN HA 1.0 1.834 3.862 232 232 A 12 ALA HB% A 8 PRO HBy 1.0 1.679 3.117 233 233 A 1 PRO HBy A 2 PRO HDy 1.0 1.688 3.150 234 234 A 24 LEU HA A 24 LEU HDx% 1.0 1.807 3.711 235 235 A 28 GLN HA A 31 LEU HDy% 1.0 1.889 4.233 236 236 A 2 PRO HDy A 31 LEU HDy% 1.0 3.111 5.027 237 237 A 24 LEU HDy% A 5 PRO HDx 1.0 1.836 3.878 238 238 A 31 LEU HBy A 28 GLN HA 1.0 1.865 4.055 239 239 A 12 ALA HB% A 17 LEU HDy% 1.0 2.378 4.112 240 240 A 17 LEU HBx A 17 LEU HDy% 1.0 1.586 2.776 241 241 A 24 LEU HDy% A 5 PRO HGy 1.0 1.784 3.584 242 242 A 31 LEU HBx A 31 LEU HDy% 1.0 1.695 3.181 243 243 A 17 LEU HDx% A 8 PRO HBy 1.0 1.759 3.465 244 244 A 23 ASP HA A 26 LYS HBx 1.0 1.850 3.956 245 245 A 18 ALA HB% A 18 ALA HA 1.0 1.470 2.412 246 246 A 16 LYS HBy A 16 LYS HA 1.0 1.709 3.241 247 247 A 10 ASP H A 10 ASP HA 1.0 1.804 3.696 248 248 A 28 GLN HE21 A 28 GLN HGy 1.0 1.934 4.616 249 249 A 31 LEU H A 28 GLN HA 1.0 1.910 4.394 250 250 A 28 GLN HE22 A 31 LEU HDy% 1.0 1.861 4.033 251 251 A 13 THR H A 16 LYS HBx 1.0 1.789 3.611 252 251 A 11 ASN HD22 A 16 LYS HBx 1.0 1.789 3.611 253 252 A 28 GLN H A 28 GLN HB3 1.0 1.703 3.215 254 252 A 28 GLN H A 28 GLN HB2 1.0 1.703 3.215 255 253 A 15 GLU H A 14 PRO HBy 1.0 1.673 3.091 256 253 A 15 GLU H A 15 GLU HBy 1.0 1.673 3.091 257 254 A 11 ASN HB3 A 11 ASN H 1.0 1.759 3.463 258 254 A 11 ASN H A 11 ASN HB2 1.0 1.759 3.463 259 255 A 7 LYS H A 6 THR HG2% 1.0 2.098 3.596 260 255 A 4 LYS H A 4 LYS HBx 1.0 2.098 3.596 261 256 A 14 PRO HGx A 14 PRO HBx 1.0 1.651 3.005 262 256 A 14 PRO HGx A 14 PRO HBy 1.0 1.651 3.005 263 257 A 16 LYS H A 16 LYS HA 1.0 1.678 3.114 264 257 A 16 LYS H A 15 GLU HA 1.0 1.678 3.114 265 258 A 29 LYS H A 29 LYS HGx 1.0 1.823 3.797 266 258 A 29 LYS H A 29 LYS HGy 1.0 1.823 3.797 267 259 A 29 LYS HA A 30 ASP H 1.0 1.859 4.019 268 259 A 30 ASP H A 26 LYS HA 1.0 1.859 4.019 269 260 A 29 LYS H A 29 LYS HA 1.0 1.664 3.058 270 260 A 29 LYS H A 26 LYS HA 1.0 1.664 3.058 271 261 A 19 LYS H A 19 LYS HA 1.0 1.646 2.990 272 261 A 19 LYS H A 16 LYS HA 1.0 1.646 2.990 273 262 A 2 PRO HDx A 2 PRO HGy 1.0 1.780 3.570 274 262 A 2 PRO HDx A 2 PRO HGx 1.0 1.780 3.570 275 263 A 2 PRO HDy A 2 PRO HGy 1.0 1.826 3.818 276 263 A 2 PRO HDy A 2 PRO HGx 1.0 1.826 3.818 277 264 A 8 PRO HDx A 8 PRO HGy 1.0 1.697 3.189 278 264 A 8 PRO HDx A 8 PRO HGx 1.0 1.697 3.189 279 265 A 4 LYS HDy A 4 LYS HG2 1.0 2.139 3.461 280 265 A 4 LYS HDy A 4 LYS HG3 1.0 2.139 3.461 281 266 A 2 PRO HBx A 2 PRO HGy 1.0 1.857 4.005 282 266 A 2 PRO HBx A 2 PRO HGx 1.0 1.857 4.005 283 267 A 2 PRO HBy A 2 PRO HGy 1.0 1.869 4.083 284 267 A 2 PRO HBy A 2 PRO HGx 1.0 1.869 4.083 285 268 A 29 LYS H A 28 GLN HB3 1.0 1.827 3.823 286 268 A 29 LYS H A 28 GLN HB2 1.0 1.827 3.823 287 269 A 21 GLN HBy A 21 GLN HG3 1.0 1.610 2.858 288 269 A 21 GLN HBy A 21 GLN HG2 1.0 1.610 2.858 289 270 A 8 PRO HBx A 8 PRO HGy 1.0 1.625 2.911 290 270 A 8 PRO HBx A 8 PRO HGx 1.0 1.625 2.911 291 271 A 24 LEU HDx% A 24 LEU HBx 1.0 1.593 2.797 292 271 A 12 ALA HB% A 17 LEU HDx% 1.0 1.593 2.797 293 272 A 4 LYS HBy A 4 LYS HG2 1.0 1.654 3.020 294 272 A 4 LYS HBy A 4 LYS HG3 1.0 1.654 3.020 295 273 A 7 LYS HDy A 7 LYS HG2 1.0 1.628 2.924 296 273 A 7 LYS HDy A 7 LYS HG3 1.0 1.628 2.924 297 274 A 17 LEU HDx% A 8 PRO HGx 1.0 1.577 2.743 298 274 A 17 LEU HDx% A 8 PRO HGy 1.0 1.577 2.743 299 275 A 19 LYS HBy A 19 LYS HA 1.0 1.659 3.041 300 275 A 19 LYS HBy A 16 LYS HA 1.0 1.659 3.041 301 276 A 19 LYS HBy A 16 LYS HA 1.0 1.596 2.808 302 276 A 15 GLU HA A 15 GLU HBy 1.0 1.596 2.808 303 277 A 29 LYS HBy A 29 LYS HA 1.0 1.569 2.715 304 277 A 26 LYS HBy A 26 LYS HA 1.0 1.569 2.715 305 278 A 8 PRO HDy A 8 PRO HGy 1.0 1.683 3.131 306 278 A 8 PRO HDy A 8 PRO HGx 1.0 1.683 3.131 307 279 A 7 LYS HDx A 7 LYS HG2 1.0 1.706 3.230 308 279 A 7 LYS HDx A 7 LYS HG3 1.0 1.706 3.230 309 280 A 28 GLN HA A 28 GLN HB2 1.0 1.770 3.516 310 280 A 28 GLN HA A 28 GLN HB3 1.0 1.770 3.516 311 281 A 4 LYS H A 4 LYS HG3 1.0 1.915 4.433 312 281 A 4 LYS H A 3 THR HG2% 1.0 1.915 4.433 313 281 A 4 LYS H A 4 LYS HG2 1.0 1.915 4.433 314 282 A 18 ALA H A 17 LEU HA 1.0 1.732 3.338 315 282 A 17 LEU H A 17 LEU HA 1.0 1.732 3.338 316 282 A 17 LEU H A 16 LYS HA 1.0 1.732 3.338 317 283 A 28 GLN HE21 A 31 LEU HDy% 1.0 1.816 3.754 318 283 A 28 GLN HE21 A 31 LEU HDx% 1.0 1.816 3.754 319 284 A 30 ASP H A 29 LYS HGx 1.0 1.855 3.987 320 284 A 30 ASP H A 29 LYS HGy 1.0 1.855 3.987 321 284 A 30 ASP H A 31 LEU HBx 1.0 1.855 3.987 322 285 A 33 ASP H A 33 ASP HB3 1.0 1.637 2.957 323 285 A 33 ASP H A 33 ASP HB2 1.0 1.637 2.957 324 286 A 7 LYS H A 6 THR HG2% 1.0 1.790 3.616 325 286 A 6 THR H A 6 THR HG2% 1.0 1.790 3.616 326 287 A 7 LYS H A 6 THR HB 1.0 1.661 3.045 327 287 A 6 THR H A 6 THR HB 1.0 1.661 3.045 328 288 A 21 GLN HE22 A 21 GLN HG3 1.0 1.832 3.844 329 288 A 21 GLN HE22 A 21 GLN HG2 1.0 1.832 3.844 330 289 A 21 GLN HE21 A 21 GLN HG3 1.0 1.715 3.265 331 289 A 21 GLN HE21 A 21 GLN HG2 1.0 1.715 3.265 332 290 A 22 ALA H A 21 GLN HG3 1.0 1.862 4.038 333 290 A 22 ALA H A 21 GLN HG2 1.0 1.862 4.038 334 291 A 21 GLN HA A 21 GLN HBx 1.0 1.749 3.417 335 291 A 21 GLN HA A 21 GLN HBy 1.0 1.749 3.417 336 292 A 26 LYS H A 26 LYS HG2 1.0 1.582 2.762 337 292 A 25 ALA HB% A 26 LYS H 1.0 1.582 2.762 338 293 A 11 ASN HD22 A 16 LYS HBy 1.0 1.881 4.167 339 293 A 13 THR H A 16 LYS HBy 1.0 1.881 4.167 340 294 A 13 THR H A 8 PRO HBy 1.0 2.197 4.583 341 294 A 11 ASN HD22 A 8 PRO HBy 1.0 2.197 4.583 342 295 A 12 ALA H A 11 ASN HB2 1.0 1.864 4.054 343 295 A 11 ASN HB3 A 12 ALA H 1.0 1.864 4.054 344 296 A 18 ALA HA A 21 GLN HG3 1.0 1.808 3.716 345 296 A 18 ALA HA A 21 GLN HG2 1.0 1.808 3.716 346 297 A 18 ALA H A 17 LEU HDy% 1.0 1.862 4.042 347 297 A 17 LEU H A 17 LEU HDx% 1.0 1.862 4.042 348 297 A 17 LEU H A 17 LEU HDy% 1.0 1.862 4.042 349 298 A 17 LEU H A 17 LEU HDx% 1.0 1.875 4.125 350 298 A 18 ALA H A 17 LEU HDx% 1.0 1.875 4.125 351 299 A 25 ALA HB% A 29 LYS H 1.0 1.831 3.847 352 299 A 29 LYS H A 29 LYS HGx 1.0 1.831 3.847 353 299 A 29 LYS H A 29 LYS HGy 1.0 1.831 3.847 354 299 A 29 LYS H A 31 LEU HBx 1.0 1.831 3.847 355 300 A 11 ASN HD21 A 11 ASN HB2 1.0 1.774 3.536 356 300 A 11 ASN HD21 A 11 ASN HB3 1.0 1.774 3.536 357 301 A 11 ASN HB3 A 11 ASN HA 1.0 1.551 2.657 358 301 A 11 ASN HA A 11 ASN HB2 1.0 1.551 2.657 359 302 A 33 ASP HA A 33 ASP HB3 1.0 1.623 2.905 360 302 A 33 ASP HA A 33 ASP HB2 1.0 1.623 2.905 361 303 A 19 LYS HBx A 19 LYS HA 1.0 1.707 3.229 362 303 A 19 LYS HBx A 16 LYS HA 1.0 1.707 3.229 363 304 A 30 ASP HA A 33 ASP HB3 1.0 1.706 3.230 364 304 A 30 ASP HA A 33 ASP HB2 1.0 1.706 3.230 365 305 A 1 PRO HDy A 1 PRO HGy 1.0 1.771 3.523 366 305 A 1 PRO HDy A 1 PRO HGx 1.0 1.771 3.523 367 306 A 1 PRO HDx A 1 PRO HGy 1.0 1.751 3.427 368 306 A 1 PRO HDx A 1 PRO HGx 1.0 1.751 3.427 369 307 A 1 PRO HBy A 1 PRO HA 1.0 1.672 3.088 370 307 A 1 PRO HA A 1 PRO HGx 1.0 1.672 3.088 371 308 A 21 GLN HA A 21 GLN HG3 1.0 1.681 3.125 372 308 A 21 GLN HA A 21 GLN HG2 1.0 1.681 3.125 373 309 A 7 LYS HDy A 7 LYS HE2 1.0 1.858 4.012 374 309 A 7 LYS HDy A 7 LYS HE3 1.0 1.858 4.012 375 310 A 4 LYS HA A 4 LYS HG2 1.0 1.881 4.169 376 310 A 4 LYS HA A 4 LYS HG3 1.0 1.881 4.169 377 311 A 7 LYS HE3 A 7 LYS HG2 1.0 1.843 3.915 378 311 A 7 LYS HE3 A 7 LYS HG3 1.0 1.843 3.915 379 311 A 7 LYS HE2 A 7 LYS HG2 1.0 1.843 3.915 380 312 A 12 ALA HB% A 8 PRO HGx 1.0 2.458 4.162 381 312 A 12 ALA HB% A 8 PRO HGy 1.0 2.458 4.162 382 313 A 28 GLN HGy A 24 LEU HDy% 1.0 2.189 4.527 383 313 A 28 GLN HGy A 31 LEU HDy% 1.0 2.189 4.527 384 314 A 28 GLN HGx A 31 LEU HDy% 1.0 2.102 4.530 385 314 A 28 GLN HGx A 24 LEU HDy% 1.0 2.102 4.530 386 315 A 7 LYS HA A 7 LYS HG2 1.0 1.880 4.164 387 315 A 7 LYS HA A 7 LYS HG3 1.0 1.880 4.164 388 316 A 31 LEU HDy% A 2 PRO HGx 1.0 1.635 2.949 389 316 A 24 LEU HBy A 24 LEU HDy% 1.0 1.635 2.949 390 316 A 31 LEU HDx% A 2 PRO HGx 1.0 1.635 2.949 391 317 A 8 PRO HA A 8 PRO HGy 1.0 1.828 3.830 392 317 A 8 PRO HA A 8 PRO HGx 1.0 1.828 3.830 393 318 A 30 ASP HA A 30 ASP HBx 1.0 1.726 3.312 394 318 A 10 ASP HBx A 10 ASP HA 1.0 1.726 3.312 395 319 A 29 LYS HBx A 29 LYS HA 1.0 1.683 3.133 396 319 A 29 LYS HBx A 26 LYS HA 1.0 1.683 3.133 397 320 A 23 ASP HA A 25 ALA HB% 1.0 1.784 3.590 398 320 A 23 ASP HA A 26 LYS HG3 1.0 1.784 3.590 399 320 A 32 ALA HB% A 33 ASP HA 1.0 1.784 3.590 400 320 A 23 ASP HA A 26 LYS HG2 1.0 1.784 3.590 401 321 A 26 LYS HA A 26 LYS HG3 1.0 1.421 2.275 402 321 A 29 LYS HA A 29 LYS HGy 1.0 1.421 2.275 403 321 A 32 ALA HB% A 32 ALA HA 1.0 1.421 2.275 404 321 A 29 LYS HA A 29 LYS HGx 1.0 1.421 2.275 405 322 A 17 LEU HA A 17 LEU HBx 1.0 1.715 3.267 406 322 A 17 LEU HA A 8 PRO HGy 1.0 1.715 3.267 407 323 A 7 LYS H A 6 THR HB 1.0 1.796 3.646 408 323 A 4 LYS H A 3 THR HB 1.0 1.796 3.646 409 324 A 21 GLN HG3 A 21 GLN HBx 1.0 1.637 2.953 410 324 A 21 GLN HBx A 21 GLN HG2 1.0 1.637 2.953 411 325 A 14 PRO HDy A 14 PRO HBx 1.0 1.862 4.036 412 325 A 14 PRO HDy A 14 PRO HBy 1.0 1.862 4.036 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _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 3 THR C A 4 LYS N A 4 LYS CA A 4 LYS C 1.0 -100.0 -36.20 PHI 2 2 A 4 LYS N A 4 LYS CA A 4 LYS C A 5 PRO N 1.0 100.0 177.14 PSI 3 3 A 6 THR C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -90.0 -60.00 PHI 4 4 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 PRO N 1.0 130.0 180.00 PSI 5 5 A 8 PRO C A 9 GLY N A 9 GLY CA A 9 GLY C 1.0 -100.0 -28.86 PHI 6 6 A 9 GLY N A 9 GLY CA A 9 GLY C A 10 ASP N 1.0 -70.0 29.42 PSI 7 7 A 9 GLY C A 10 ASP N A 10 ASP CA A 10 ASP C 1.0 -100.0 -29.48 PHI 8 8 A 11 ASN N A 11 ASN CA A 11 ASN C A 12 ALA N 1.0 -70.0 19.30 PSI 9 9 A 11 ASN C A 12 ALA N A 12 ALA CA A 12 ALA C 1.0 -120.0 -59.50 PHI 10 10 A 12 ALA N A 12 ALA CA A 12 ALA C A 13 THR N 1.0 -40.0 31.34 PSI 11 11 A 14 PRO C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -90.0 -25.00 PHI 12 12 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 LYS N 1.0 -70.0 -7.84 PSI 13 13 A 15 GLU C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -90.0 -44.14 PHI 14 14 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 LEU N 1.0 -70.0 12.64 PSI 15 15 A 16 LYS C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -90.0 -38.22 PHI 16 16 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 ALA N 1.0 -70.0 -10.58 PSI 17 17 A 17 LEU C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -90.0 -39.02 PHI 18 18 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 LYS N 1.0 -70.0 -1.42 PSI 19 19 A 18 ALA C A 19 LYS N A 19 LYS CA A 19 LYS C 1.0 -90.0 -39.28 PHI 20 20 A 21 GLN N A 21 GLN CA A 21 GLN C A 22 ALA N 1.0 -70.0 6.80 PSI 21 21 A 22 ALA C A 23 ASP N A 23 ASP CA A 23 ASP C 1.0 -100.0 -29.02 PHI 22 22 A 23 ASP N A 23 ASP CA A 23 ASP C A 24 LEU N 1.0 -70.0 -24.18 PSI 23 23 A 23 ASP C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -90.0 -35.82 PHI 24 24 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 ALA N 1.0 -70.0 -0.60 PSI 25 25 A 24 LEU C A 25 ALA N A 25 ALA CA A 25 ALA C 1.0 -90.0 -29.14 PHI 26 26 A 25 ALA N A 25 ALA CA A 25 ALA C A 26 LYS N 1.0 -70.0 -16.34 PSI 27 27 A 25 ALA C A 26 LYS N A 26 LYS CA A 26 LYS C 1.0 -90.0 -39.00 PHI 28 28 A 28 GLN N A 28 GLN CA A 28 GLN C A 29 LYS N 1.0 -70.0 -5.50 PSI 29 29 A 28 GLN C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -80.0 -48.20 PHI 30 30 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 ASP N 1.0 -70.0 -19.16 PSI 31 31 A 29 LYS C A 30 ASP N A 30 ASP CA A 30 ASP C 1.0 -90.0 -39.28 PHI 32 32 A 30 ASP N A 30 ASP CA A 30 ASP C A 31 LEU N 1.0 -70.0 -18.90 PSI 33 33 A 30 ASP C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -90.0 -39.68 PHI 34 34 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 ALA N 1.0 -70.0 -19.22 PSI 35 35 A 31 LEU C A 32 ALA N A 32 ALA CA A 32 ALA C 1.0 -90.0 -32.66 PHI 36 36 A 32 ALA N A 32 ALA CA A 32 ALA C A 33 ASP N 1.0 -70.0 -18.82 PSI stop_ save_