data_nef_c16817_2ksg save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 SER start . . 2 A 2 SER middle . . 3 A 3 LEU middle . . 4 A 4 LEU middle . . 5 A 5 GLU middle . . 6 A 6 LYS middle . . 7 A 7 GLY middle . false 8 A 8 LEU middle . . 9 A 9 ASP middle . . 10 A 10 GLY middle . false 11 A 11 ALA middle . . 12 A 12 LYS middle . . 13 A 13 LYS middle . . 14 A 14 ALA middle . . 15 A 15 VAL middle . . 16 A 16 GLY middle . false 17 A 17 GLY middle . false 18 A 18 LEU middle . . 19 A 19 GLY middle . false 20 A 20 LYS middle . . 21 A 21 LEU middle . . 22 A 22 GLY middle . false 23 A 23 LYS middle . . 24 A 24 ASP middle . . 25 A 25 ALA middle . . 26 A 26 VAL middle . . 27 A 27 GLU middle . . 28 A 28 ASP middle . . 29 A 29 LEU middle . . 30 A 30 GLU middle . . 31 A 31 SER middle . . 32 A 32 VAL middle . . 33 A 33 GLY middle . false 34 A 34 LYS middle . . 35 A 35 GLY middle . false 36 A 36 ALA middle . . 37 A 37 VAL middle . . 38 A 38 HIS middle . . 39 A 39 ASP middle . . 40 A 40 VAL middle . . 41 A 41 LYS middle . . 42 A 42 ASP middle . . 43 A 43 VAL middle . . 44 A 44 LEU middle . . 45 A 45 ASP middle . . 46 A 46 SER middle . . 47 A 47 VAL middle . . 48 A 48 LEU 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 SER H H 1 8.707 0.001 A 2 SER HA H 1 4.692 0.000 A 2 SER HBy H 1 4.163 0.000 A 2 SER HBx H 1 4.017 0.000 A 2 SER N N 15 116.412 0.037 A 3 LEU H H 1 8.471 0.000 A 3 LEU HA H 1 4.195 0.000 A 3 LEU HBx H 1 1.726 0.000 A 3 LEU HBy H 1 1.726 0.000 A 3 LEU HDx% H 1 0.970 0.000 A 3 LEU HDy% H 1 0.970 0.000 A 3 LEU N N 15 123.111 0.021 A 4 LEU H H 1 7.739 0.000 A 4 LEU HA H 1 4.225 0.000 A 4 LEU HBx H 1 1.665 0.000 A 4 LEU HBy H 1 1.665 0.000 A 4 LEU N N 15 118.043 0.003 A 5 GLU H H 1 7.746 0.001 A 5 GLU HA H 1 4.079 0.000 A 5 GLU HBx H 1 2.188 0.000 A 5 GLU HBy H 1 2.188 0.000 A 5 GLU HGx H 1 2.442 0.000 A 5 GLU HGy H 1 2.442 0.000 A 5 GLU N N 15 117.509 0.048 A 6 LYS H H 1 7.980 0.000 A 6 LYS HA H 1 4.237 0.000 A 6 LYS HBx H 1 1.977 0.000 A 6 LYS HBy H 1 1.977 0.000 A 6 LYS HGx H 1 1.624 0.000 A 6 LYS HGy H 1 1.624 0.000 A 6 LYS N N 15 118.620 0.014 A 7 GLY H H 1 8.321 0.000 A 7 GLY HAx H 1 3.960 0.000 A 7 GLY HAy H 1 3.960 0.000 A 7 GLY N N 15 107.684 0.000 A 8 LEU H H 1 8.243 0.001 A 8 LEU HA H 1 4.298 0.000 A 8 LEU HBx H 1 1.814 0.000 A 8 LEU HBy H 1 1.814 0.000 A 8 LEU HDx% H 1 0.934 0.000 A 8 LEU HDy% H 1 0.934 0.000 A 8 LEU HG H 1 1.653 0.000 A 8 LEU N N 15 121.966 0.023 A 9 ASP H H 1 8.311 0.001 A 9 ASP HA H 1 4.518 0.000 A 9 ASP HBy H 1 2.923 0.000 A 9 ASP HBx H 1 2.793 0.000 A 9 ASP N N 15 118.457 0.000 A 10 GLY H H 1 8.175 0.000 A 10 GLY HAx H 1 3.936 0.000 A 10 GLY HAy H 1 3.936 0.000 A 10 GLY N N 15 106.412 0.000 A 11 ALA H H 1 8.046 0.000 A 11 ALA HA H 1 4.259 0.000 A 11 ALA HB% H 1 1.537 0.000 A 11 ALA N N 15 124.208 0.000 A 12 LYS H H 1 8.122 0.001 A 12 LYS HA H 1 4.063 0.000 A 12 LYS HBx H 1 1.969 0.000 A 12 LYS HBy H 1 1.969 0.000 A 12 LYS HDx H 1 1.689 0.000 A 12 LYS HDy H 1 1.689 0.000 A 12 LYS HGx H 1 1.527 0.000 A 12 LYS HGy H 1 1.527 0.000 A 12 LYS N N 15 116.656 0.037 A 13 LYS H H 1 7.865 0.000 A 13 LYS HA H 1 4.177 0.000 A 13 LYS HBx H 1 1.953 0.000 A 13 LYS HBy H 1 1.953 0.000 A 13 LYS HDx H 1 1.625 0.000 A 13 LYS HDy H 1 1.625 0.000 A 13 LYS HGx H 1 1.520 0.000 A 13 LYS HGy H 1 1.520 0.000 A 13 LYS N N 15 118.382 0.035 A 14 ALA H H 1 7.990 0.000 A 14 ALA HA H 1 4.277 0.000 A 14 ALA HB% H 1 1.537 0.000 A 14 ALA N N 15 122.339 0.012 A 15 VAL H H 1 8.114 0.000 A 15 VAL HA H 1 4.002 0.000 A 15 VAL HB H 1 2.222 0.000 A 15 VAL HGx% H 1 1.064 0.000 A 15 VAL HGy% H 1 1.064 0.000 A 15 VAL N N 15 116.132 0.009 A 16 GLY H H 1 8.159 0.000 A 16 GLY HAx H 1 3.985 0.000 A 16 GLY HAy H 1 3.985 0.000 A 16 GLY N N 15 108.184 0.000 A 17 GLY H H 1 8.091 0.000 A 17 GLY HAx H 1 3.975 0.000 A 17 GLY HAy H 1 3.975 0.000 A 17 GLY N N 15 107.783 0.000 A 18 LEU H H 1 8.021 0.000 A 18 LEU HA H 1 4.295 0.000 A 18 LEU HBx H 1 1.822 0.000 A 18 LEU HBy H 1 1.822 0.000 A 18 LEU HDx% H 1 0.953 0.000 A 18 LEU HDy% H 1 0.953 0.000 A 18 LEU HG H 1 1.660 0.000 A 18 LEU N N 15 120.851 0.032 A 19 GLY H H 1 8.255 0.000 A 19 GLY HAx H 1 3.951 0.000 A 19 GLY HAy H 1 3.951 0.000 A 19 GLY N N 15 106.349 0.000 A 20 LYS H H 1 7.891 0.000 A 20 LYS HA H 1 4.299 0.000 A 20 LYS HBx H 1 1.913 0.000 A 20 LYS HBy H 1 1.913 0.000 A 20 LYS HGx H 1 1.518 0.000 A 20 LYS HGy H 1 1.518 0.000 A 20 LYS N N 15 119.740 0.000 A 21 LEU H H 1 7.891 0.001 A 21 LEU HA H 1 4.320 0.000 A 21 LEU HBx H 1 1.819 0.000 A 21 LEU HBy H 1 1.819 0.000 A 21 LEU HDx% H 1 0.946 0.000 A 21 LEU HDy% H 1 0.946 0.000 A 21 LEU HG H 1 1.677 0.000 A 21 LEU N N 15 119.714 0.050 A 22 GLY H H 1 8.079 0.000 A 22 GLY HAx H 1 3.983 0.000 A 22 GLY HAy H 1 3.983 0.000 A 22 GLY N N 15 106.618 0.000 A 23 LYS H H 1 8.036 0.001 A 23 LYS HA H 1 4.155 0.000 A 23 LYS HBx H 1 1.919 0.000 A 23 LYS HBy H 1 1.919 0.000 A 23 LYS HDx H 1 1.753 0.000 A 23 LYS HDy H 1 1.753 0.000 A 23 LYS HGx H 1 1.528 0.000 A 23 LYS HGy H 1 1.528 0.000 A 23 LYS N N 15 120.138 0.013 A 24 ASP H H 1 8.325 0.000 A 24 ASP HA H 1 4.556 0.000 A 24 ASP HBx H 1 2.881 0.000 A 24 ASP HBy H 1 2.881 0.000 A 24 ASP N N 15 117.847 0.044 A 25 ALA H H 1 7.988 0.000 A 25 ALA HA H 1 4.186 0.000 A 25 ALA HB% H 1 1.529 0.000 A 25 ALA N N 15 122.327 0.000 A 26 VAL H H 1 7.847 0.000 A 26 VAL HA H 1 3.759 0.000 A 26 VAL HB H 1 2.186 0.000 A 26 VAL HGx% H 1 0.981 0.000 A 26 VAL HGy% H 1 0.981 0.000 A 26 VAL N N 15 116.439 0.006 A 27 GLU H H 1 8.117 0.001 A 27 GLU HA H 1 4.135 0.000 A 27 GLU HBx H 1 2.199 0.000 A 27 GLU HBy H 1 2.199 0.000 A 27 GLU HGy H 1 2.615 0.000 A 27 GLU HGx H 1 2.493 0.000 A 27 GLU N N 15 118.440 0.018 A 28 ASP H H 1 8.267 0.001 A 28 ASP HA H 1 4.549 0.000 A 28 ASP HBy H 1 3.088 0.000 A 28 ASP HBx H 1 2.876 0.000 A 28 ASP N N 15 118.996 0.004 A 29 LEU H H 1 8.293 0.001 A 29 LEU HA H 1 4.173 0.000 A 29 LEU HBx H 1 1.932 0.000 A 29 LEU HBy H 1 1.932 0.000 A 29 LEU HDx% H 1 0.931 0.000 A 29 LEU HDy% H 1 0.931 0.000 A 29 LEU HG H 1 1.660 0.000 A 29 LEU N N 15 121.144 0.003 A 30 GLU H H 1 8.409 0.000 A 30 GLU HA H 1 4.173 0.000 A 30 GLU HBx H 1 2.225 0.000 A 30 GLU HBy H 1 2.225 0.000 A 30 GLU HGy H 1 2.676 0.000 A 30 GLU HGx H 1 2.491 0.000 A 30 GLU N N 15 116.788 0.004 A 31 SER H H 1 7.974 0.000 A 31 SER HA H 1 4.384 0.000 A 31 SER HBy H 1 4.142 0.000 A 31 SER HBx H 1 4.050 0.000 A 31 SER N N 15 113.825 0.014 A 32 VAL H H 1 7.857 0.001 A 32 VAL HA H 1 4.016 0.000 A 32 VAL HB H 1 2.259 0.000 A 32 VAL HGx% H 1 1.096 0.000 A 32 VAL HGy% H 1 1.019 0.000 A 32 VAL N N 15 120.809 0.005 A 33 GLY H H 1 8.304 0.000 A 33 GLY HAx H 1 3.983 0.000 A 33 GLY HAy H 1 3.983 0.000 A 33 GLY N N 15 108.725 0.000 A 34 LYS H H 1 7.970 0.002 A 34 LYS HA H 1 4.296 0.000 A 34 LYS HBx H 1 1.942 0.000 A 34 LYS HBy H 1 1.942 0.000 A 34 LYS HDx H 1 1.734 0.000 A 34 LYS HDy H 1 1.734 0.000 A 34 LYS HGx H 1 1.609 0.000 A 34 LYS HGy H 1 1.609 0.000 A 34 LYS N N 15 119.040 0.000 A 35 GLY H H 1 8.216 0.000 A 35 GLY HAx H 1 3.993 0.000 A 35 GLY HAy H 1 3.993 0.000 A 35 GLY N N 15 107.328 0.000 A 36 ALA H H 1 7.976 0.001 A 36 ALA HA H 1 4.349 0.000 A 36 ALA HB% H 1 1.459 0.000 A 36 ALA N N 15 122.727 0.000 A 37 VAL H H 1 7.750 0.000 A 37 VAL HA H 1 3.965 0.000 A 37 VAL HB H 1 2.114 0.000 A 37 VAL HGx% H 1 0.990 0.000 A 37 VAL HGy% H 1 0.990 0.000 A 37 VAL N N 15 116.405 0.015 A 38 HIS H H 1 8.295 0.001 A 38 HIS HA H 1 4.637 0.000 A 38 HIS HBy H 1 3.350 0.000 A 38 HIS HBx H 1 3.272 0.000 A 38 HIS N N 15 119.030 0.003 A 39 ASP H H 1 8.213 0.002 A 39 ASP HA H 1 4.719 0.000 A 39 ASP HBx H 1 2.928 0.000 A 39 ASP HBy H 1 2.928 0.000 A 39 ASP N N 15 118.838 0.001 A 40 VAL H H 1 8.102 0.000 A 40 VAL HA H 1 3.840 0.000 A 40 VAL HB H 1 2.167 0.000 A 40 VAL HGx% H 1 1.057 0.000 A 40 VAL HGy% H 1 1.057 0.000 A 40 VAL N N 15 120.250 0.008 A 41 LYS H H 1 8.143 0.001 A 41 LYS HA H 1 4.004 0.000 A 41 LYS HBx H 1 1.893 0.000 A 41 LYS HBy H 1 1.893 0.000 A 41 LYS HDx H 1 1.719 0.000 A 41 LYS HDy H 1 1.719 0.000 A 41 LYS HGx H 1 1.516 0.000 A 41 LYS HGy H 1 1.516 0.000 A 41 LYS N N 15 120.022 0.007 A 42 ASP H H 1 7.834 0.000 A 42 ASP HA H 1 4.558 0.000 A 42 ASP HBx H 1 2.931 0.000 A 42 ASP HBy H 1 2.931 0.000 A 42 ASP N N 15 116.115 0.011 A 43 VAL H H 1 7.720 0.000 A 43 VAL HA H 1 3.820 0.000 A 43 VAL HB H 1 2.288 0.000 A 43 VAL HGx% H 1 1.045 0.000 A 43 VAL HGy% H 1 1.045 0.000 A 43 VAL N N 15 119.706 0.007 A 44 LEU H H 1 8.314 0.001 A 44 LEU HA H 1 4.151 0.000 A 44 LEU HBx H 1 1.841 0.000 A 44 LEU HBy H 1 1.841 0.000 A 44 LEU HDx% H 1 0.901 0.000 A 44 LEU HDy% H 1 0.901 0.000 A 44 LEU HG H 1 1.581 0.000 A 44 LEU N N 15 120.133 0.026 A 45 ASP H H 1 8.342 0.000 A 45 ASP HA H 1 4.628 0.000 A 45 ASP HBx H 1 3.009 0.000 A 45 ASP HBy H 1 3.009 0.000 A 45 ASP N N 15 114.945 0.001 A 46 SER H H 1 7.828 0.000 A 46 SER HA H 1 4.534 0.000 A 46 SER HBy H 1 4.114 0.000 A 46 SER HBx H 1 4.011 0.000 A 46 SER N N 15 113.573 0.011 A 47 VAL H H 1 7.733 0.001 A 47 VAL HA H 1 4.271 0.000 A 47 VAL HB H 1 2.225 0.000 A 47 VAL HGx% H 1 1.017 0.000 A 47 VAL HGy% H 1 1.017 0.000 A 47 VAL N N 15 118.034 0.008 A 48 LEU H H 1 7.826 0.001 A 48 LEU HA H 1 4.445 0.000 A 48 LEU HBx H 1 1.794 0.000 A 48 LEU HBy H 1 1.794 0.000 A 48 LEU HDx% H 1 0.931 0.000 A 48 LEU HDy% H 1 0.931 0.000 A 48 LEU HG H 1 1.656 0.000 A 48 LEU N N 15 122.474 0.009 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 24 ASP HA A 27 GLU H 1.0 1.8 4.7 2 2 A 28 ASP HA A 31 SER H 1.0 1.8 4.4 3 3 A 9 ASP HA A 12 LYS H 1.0 1.8 4.3 4 4 A 29 LEU HA A 32 VAL H 1.0 1.8 4.5 5 5 A 7 GLY H A 7 GLY HAx 1.0 1.8 2.9 6 5 A 7 GLY H A 7 GLY HAy 1.0 1.8 2.9 7 6 A 19 GLY H A 19 GLY HAx 1.0 1.8 2.8 8 6 A 19 GLY H A 19 GLY HAy 1.0 1.8 2.8 9 7 A 10 GLY H A 10 GLY HAx 1.0 1.8 2.9 10 7 A 10 GLY H A 10 GLY HAy 1.0 1.8 2.9 11 8 A 22 GLY H A 22 GLY HAx 1.0 1.8 2.9 12 8 A 22 GLY H A 22 GLY HAy 1.0 1.8 2.9 13 9 A 35 GLY H A 35 GLY HAx 1.0 1.8 2.8 14 9 A 35 GLY H A 35 GLY HAy 1.0 1.8 2.8 15 10 A 33 GLY H A 33 GLY HAx 1.0 1.8 2.7 16 10 A 33 GLY H A 33 GLY HAy 1.0 1.8 2.7 17 11 A 16 GLY H A 16 GLY HAx 1.0 1.8 2.9 18 11 A 16 GLY H A 16 GLY HAy 1.0 1.8 2.9 19 12 A 17 GLY H A 16 GLY HAx 1.0 1.8 3.0 20 12 A 16 GLY HAy A 17 GLY H 1.0 1.8 3.0 21 13 A 3 LEU H A 3 LEU HBx 1.0 1.8 3.2 22 13 A 3 LEU H A 3 LEU HBy 1.0 1.8 3.2 23 14 A 3 LEU H A 2 SER HA 1.0 1.8 3.2 24 15 A 40 VAL H A 40 VAL HB 1.0 1.8 3.2 25 16 A 14 ALA H A 14 ALA HB% 1.0 1.8 2.9 26 17 A 25 ALA H A 25 ALA HB% 1.0 1.8 3.1 27 18 A 26 VAL HA A 29 LEU H 1.0 1.8 4.0 28 19 A 29 LEU H A 29 LEU HBx 1.0 1.8 3.2 29 19 A 29 LEU H A 29 LEU HBy 1.0 1.8 3.2 30 20 A 29 LEU H A 29 LEU HG 1.0 1.8 4.1 31 21 A 48 LEU H A 48 LEU HBx 1.0 1.8 3.3 32 21 A 48 LEU H A 48 LEU HBy 1.0 1.8 3.3 33 22 A 48 LEU H A 48 LEU HG 1.0 1.8 4.4 34 23 A 36 ALA H A 35 GLY HAx 1.0 1.8 3.1 35 23 A 35 GLY HAy A 36 ALA H 1.0 1.8 3.1 36 24 A 25 ALA H A 24 ASP HBx 1.0 1.8 3.9 37 24 A 25 ALA H A 24 ASP HBy 1.0 1.8 3.9 38 25 A 14 ALA H A 13 LYS HBx 1.0 1.8 4.1 39 25 A 14 ALA H A 13 LYS HBy 1.0 1.8 4.1 40 26 A 25 ALA H A 27 GLU HBx 1.0 1.8 5.5 41 26 A 25 ALA H A 27 GLU HBy 1.0 1.8 5.5 42 27 A 36 ALA H A 36 ALA HB% 1.0 1.8 3.0 43 28 A 11 ALA H A 10 GLY HAx 1.0 1.8 3.4 44 28 A 10 GLY HAy A 11 ALA H 1.0 1.8 3.4 45 29 A 9 ASP HA A 11 ALA H 1.0 1.8 5.1 46 30 A 11 ALA H A 11 ALA HB% 1.0 1.8 3.0 47 31 A 8 LEU H A 8 LEU HBx 1.0 1.8 3.2 48 31 A 8 LEU H A 8 LEU HBy 1.0 1.8 3.2 49 32 A 8 LEU H A 8 LEU HG 1.0 1.8 4.9 50 33 A 18 LEU H A 18 LEU HBx 1.0 1.8 3.0 51 33 A 18 LEU H A 18 LEU HBy 1.0 1.8 3.0 52 34 A 18 LEU H A 18 LEU HG 1.0 1.8 3.7 53 35 A 23 LYS H A 23 LYS HBx 1.0 1.8 3.0 54 35 A 23 LYS H A 23 LYS HBy 1.0 1.8 3.0 55 36 A 23 LYS H A 23 LYS HGx 1.0 1.8 3.9 56 36 A 23 LYS H A 23 LYS HGy 1.0 1.8 3.9 57 37 A 23 LYS H A 24 ASP HBx 1.0 1.8 5.3 58 37 A 24 ASP HBy A 23 LYS H 1.0 1.8 5.3 59 38 A 32 VAL H A 32 VAL HB 1.0 1.8 3.7 60 39 A 32 VAL H A 32 VAL HGx% 1.0 1.8 3.8 61 40 A 44 LEU H A 44 LEU HBx 1.0 1.8 2.9 62 40 A 44 LEU H A 44 LEU HBy 1.0 1.8 2.9 63 41 A 44 LEU H A 44 LEU HG 1.0 1.8 3.8 64 42 A 41 LYS H A 41 LYS HGx 1.0 1.8 4.0 65 42 A 41 LYS H A 41 LYS HGy 1.0 1.8 4.0 66 43 A 41 LYS H A 41 LYS HBx 1.0 1.8 3.0 67 43 A 41 LYS H A 41 LYS HBy 1.0 1.8 3.0 68 44 A 36 ALA HA A 39 ASP H 1.0 1.8 4.6 69 45 A 39 ASP H A 35 GLY HAx 1.0 1.8 4.8 70 45 A 35 GLY HAy A 39 ASP H 1.0 1.8 4.8 71 46 A 39 ASP H A 37 VAL HA 1.0 1.8 5.3 72 47 A 39 ASP H A 39 ASP HBx 1.0 1.8 3.1 73 47 A 39 ASP H A 39 ASP HBy 1.0 1.8 3.1 74 48 A 38 HIS H A 38 HIS HBx 1.0 1.8 3.5 75 49 A 38 HIS H A 38 HIS HBy 1.0 1.8 3.5 76 50 A 41 LYS HA A 43 VAL H 1.0 1.8 5.1 77 51 A 43 VAL H A 43 VAL HB 1.0 1.8 3.2 78 52 A 24 ASP H A 24 ASP HBx 1.0 1.8 3.0 79 52 A 24 ASP HBy A 24 ASP H 1.0 1.8 3.0 80 53 A 27 GLU H A 27 GLU HGy 1.0 1.8 4.1 81 54 A 27 GLU H A 27 GLU HGx 1.0 1.8 4.1 82 55 A 27 GLU H A 27 GLU HBx 1.0 1.8 2.9 83 55 A 27 GLU H A 27 GLU HBy 1.0 1.8 2.9 84 56 A 8 LEU HG A 9 ASP H 1.0 1.8 4.3 85 57 A 9 ASP H A 9 ASP HBy 1.0 1.8 3.8 86 58 A 9 ASP H A 9 ASP HBx 1.0 1.8 3.8 87 59 A 9 ASP H A 8 LEU HBx 1.0 1.8 3.8 88 59 A 8 LEU HBy A 9 ASP H 1.0 1.8 3.8 89 60 A 21 LEU H A 21 LEU HBx 1.0 1.8 3.2 90 60 A 21 LEU H A 21 LEU HBy 1.0 1.8 3.2 91 61 A 20 LYS H A 20 LYS HGx 1.0 1.8 3.9 92 61 A 20 LYS H A 20 LYS HGy 1.0 1.8 3.9 93 62 A 21 LEU H A 20 LYS HGx 1.0 1.7 4.5 94 62 A 21 LEU H A 20 LYS HGy 1.0 1.7 4.5 95 63 A 20 LYS H A 19 GLY HAx 1.0 1.8 3.2 96 63 A 19 GLY HAy A 20 LYS H 1.0 1.8 3.2 97 64 A 34 LYS H A 33 GLY HAx 1.0 1.8 3.2 98 64 A 33 GLY HAy A 34 LYS H 1.0 1.8 3.2 99 65 A 6 LYS H A 6 LYS HBx 1.0 1.8 3.2 100 65 A 6 LYS H A 6 LYS HBy 1.0 1.8 3.2 101 66 A 34 LYS H A 34 LYS HBx 1.0 1.8 3.5 102 66 A 34 LYS H A 34 LYS HBy 1.0 1.8 3.5 103 67 A 6 LYS H A 6 LYS HGx 1.0 1.8 4.4 104 67 A 6 LYS H A 6 LYS HGy 1.0 1.8 4.4 105 68 A 34 LYS H A 34 LYS HGx 1.0 1.8 4.8 106 68 A 34 LYS H A 34 LYS HGy 1.0 1.8 4.8 107 69 A 13 LYS H A 10 GLY HAx 1.0 1.8 4.2 108 69 A 10 GLY HAy A 13 LYS H 1.0 1.8 4.2 109 70 A 13 LYS H A 12 LYS HBx 1.0 1.8 3.3 110 70 A 13 LYS H A 12 LYS HBy 1.0 1.8 3.3 111 71 A 13 LYS H A 13 LYS HBx 1.0 1.8 3.5 112 71 A 13 LYS HBy A 13 LYS H 1.0 1.8 3.5 113 72 A 13 LYS H A 12 LYS HDx 1.0 1.8 4.9 114 72 A 13 LYS H A 12 LYS HDy 1.0 1.8 4.9 115 73 A 13 LYS H A 13 LYS HDx 1.0 1.8 4.1 116 73 A 13 LYS H A 13 LYS HDy 1.0 1.8 4.1 117 74 A 13 LYS H A 13 LYS HGx 1.0 1.8 4.2 118 74 A 13 LYS H A 13 LYS HGy 1.0 1.8 4.2 119 75 A 6 LYS H A 5 GLU HGx 1.0 1.8 5.0 120 75 A 6 LYS H A 5 GLU HGy 1.0 1.8 5.0 121 76 A 6 LYS H A 4 LEU HBx 1.0 1.8 4.6 122 76 A 6 LYS H A 4 LEU HBy 1.0 1.8 4.6 123 77 A 28 ASP H A 28 ASP HBy 1.0 1.8 3.5 124 78 A 28 ASP H A 25 ALA HA 1.0 1.8 4.0 125 79 A 28 ASP H A 28 ASP HBx 1.0 1.8 3.5 126 80 A 45 ASP H A 45 ASP HBx 1.0 1.8 3.3 127 80 A 45 ASP H A 45 ASP HBy 1.0 1.8 3.3 128 81 A 46 SER H A 46 SER HBy 1.0 1.8 3.7 129 82 A 46 SER H A 46 SER HBx 1.0 1.8 3.7 130 83 A 46 SER H A 43 VAL HA 1.0 1.8 4.5 131 84 A 45 ASP H A 42 ASP HA 1.0 1.8 4.4 132 85 A 45 ASP H A 43 VAL HA 1.0 1.8 5.4 133 86 A 39 ASP HA A 42 ASP H 1.0 1.8 4.5 134 87 A 42 ASP H A 42 ASP HBx 1.0 1.8 3.2 135 87 A 42 ASP H A 42 ASP HBy 1.0 1.8 3.2 136 88 A 42 ASP H A 41 LYS HBx 1.0 1.8 3.5 137 88 A 41 LYS HBy A 42 ASP H 1.0 1.8 3.5 138 89 A 26 VAL H A 26 VAL HB 1.0 1.8 3.1 139 90 A 31 SER H A 27 GLU HA 1.0 1.8 3.8 140 91 A 31 SER H A 31 SER HBy 1.0 1.8 3.9 141 92 A 31 SER H A 31 SER HBx 1.0 1.8 3.9 142 93 A 12 LYS H A 10 GLY HAx 1.0 1.8 4.3 143 93 A 12 LYS H A 10 GLY HAy 1.0 1.8 4.3 144 94 A 12 LYS H A 12 LYS HBx 1.0 1.8 3.1 145 94 A 12 LYS H A 12 LYS HBy 1.0 1.8 3.1 146 95 A 12 LYS H A 12 LYS HDx 1.0 1.8 3.7 147 95 A 12 LYS H A 12 LYS HDy 1.0 1.8 3.7 148 96 A 12 LYS H A 11 ALA HB% 1.0 1.8 3.6 149 97 A 12 LYS H A 12 LYS HGx 1.0 1.8 3.8 150 97 A 12 LYS H A 12 LYS HGy 1.0 1.8 3.8 151 98 A 15 VAL H A 15 VAL HB 1.0 1.8 3.8 152 99 A 37 VAL H A 37 VAL HB 1.0 1.8 3.3 153 100 A 30 GLU H A 30 GLU HGy 1.0 1.8 4.0 154 101 A 30 GLU H A 30 GLU HGx 1.0 1.8 4.0 155 102 A 30 GLU H A 30 GLU HBx 1.0 1.8 3.1 156 102 A 30 GLU H A 30 GLU HBy 1.0 1.8 3.1 157 103 A 25 ALA HB% A 26 VAL H 1.0 1.8 3.4 158 104 A 19 GLY H A 18 LEU HA 1.0 1.8 3.6 159 105 A 22 GLY H A 21 LEU HA 1.0 1.8 3.4 160 106 A 33 GLY H A 30 GLU HA 1.0 1.8 4.1 161 107 A 17 GLY H A 18 LEU HA 1.0 1.8 4.6 162 108 A 16 GLY H A 14 ALA HA 1.0 1.8 5.1 163 109 A 16 GLY H A 13 LYS HA 1.0 1.8 4.5 164 110 A 8 LEU H A 7 GLY HAx 1.0 1.8 3.5 165 110 A 7 GLY HAy A 8 LEU H 1.0 1.8 3.5 166 111 A 23 LYS H A 22 GLY HAx 1.0 1.8 3.1 167 111 A 22 GLY HAy A 23 LYS H 1.0 1.8 3.1 168 112 A 24 ASP HA A 23 LYS H 1.0 1.7 5.2 169 113 A 44 LEU H A 41 LYS HA 1.0 1.8 4.0 170 114 A 38 HIS H A 35 GLY HAx 1.0 1.8 3.8 171 114 A 35 GLY HAy A 38 HIS H 1.0 1.8 3.8 172 115 A 9 ASP HA A 13 LYS H 1.0 1.8 5.5 173 116 A 41 LYS HA A 45 ASP H 1.0 1.8 5.5 174 117 A 28 ASP HA A 30 GLU H 1.0 1.8 5.0 175 118 A 26 VAL HA A 30 GLU H 1.0 1.8 4.8 176 119 A 39 ASP H A 38 HIS HA 1.0 1.8 3.5 177 120 A 11 ALA H A 12 LYS HBx 1.0 1.8 5.3 178 120 A 11 ALA H A 12 LYS HBy 1.0 1.8 5.3 179 121 A 11 ALA H A 13 LYS HBx 1.0 1.8 5.5 180 121 A 13 LYS HBy A 11 ALA H 1.0 1.8 5.5 181 122 A 24 ASP H A 22 GLY HAx 1.0 1.8 4.2 182 122 A 22 GLY HAy A 24 ASP H 1.0 1.8 4.2 183 123 A 23 LYS H A 23 LYS HDx 1.0 1.8 4.4 184 123 A 23 LYS H A 23 LYS HDy 1.0 1.8 4.4 185 124 A 41 LYS H A 41 LYS HDx 1.0 1.8 5.4 186 124 A 41 LYS H A 41 LYS HDy 1.0 1.8 5.4 187 125 A 5 GLU H A 5 GLU HGx 1.0 1.8 3.8 188 125 A 5 GLU HGy A 5 GLU H 1.0 1.8 3.8 189 126 A 2 SER HA A 4 LEU H 1.0 1.8 4.7 190 127 A 5 GLU H A 5 GLU HBx 1.0 1.8 3.2 191 127 A 5 GLU H A 5 GLU HBy 1.0 1.8 3.2 192 128 A 7 GLY H A 6 LYS H 1.0 1.8 3.6 193 129 A 32 VAL H A 34 LYS H 1.0 1.8 4.7 194 130 A 35 GLY H A 34 LYS H 1.0 1.8 3.5 195 131 A 25 ALA H A 26 VAL H 1.0 1.8 3.4 196 132 A 5 GLU H A 4 LEU HA 1.0 1.8 3.5 197 133 A 3 LEU H A 4 LEU H 1.0 1.9 3.8 198 134 A 6 LYS H A 5 GLU H 1.0 1.8 3.6 199 135 A 8 LEU H A 5 GLU HA 1.0 1.8 4.8 200 136 A 7 GLY H A 6 LYS HBx 1.0 1.8 3.9 201 136 A 7 GLY H A 6 LYS HBy 1.0 1.8 3.9 202 137 A 7 GLY H A 4 LEU HBx 1.0 1.7 5.2 203 137 A 7 GLY H A 4 LEU HBy 1.0 1.7 5.2 204 138 A 7 GLY H A 6 LYS HGx 1.0 1.8 5.5 205 138 A 7 GLY H A 6 LYS HGy 1.0 1.8 5.5 206 139 A 7 GLY H A 8 LEU HBx 1.0 1.8 5.4 207 139 A 7 GLY H A 8 LEU HBy 1.0 1.8 5.4 208 140 A 7 GLY H A 3 LEU HBx 1.0 1.8 5.3 209 140 A 7 GLY H A 3 LEU HBy 1.0 1.8 5.3 210 141 A 7 GLY H A 5 GLU H 1.0 1.8 5.5 211 142 A 8 LEU H A 6 LYS H 1.0 1.8 5.4 212 143 A 3 LEU H A 8 LEU H 1.0 1.8 5.5 213 144 A 10 GLY H A 9 ASP H 1.0 1.8 3.4 214 145 A 10 GLY H A 11 ALA H 1.0 1.8 3.4 215 146 A 10 GLY H A 8 LEU HA 1.0 1.8 4.5 216 147 A 10 GLY H A 9 ASP HBy 1.0 1.8 4.2 217 148 A 10 GLY H A 9 ASP HBx 1.0 1.8 4.2 218 149 A 10 GLY H A 11 ALA HB% 1.0 1.8 4.9 219 150 A 11 ALA H A 12 LYS HDx 1.0 1.8 5.2 220 150 A 11 ALA H A 12 LYS HDy 1.0 1.8 5.2 221 151 A 12 LYS H A 11 ALA H 1.0 1.8 3.1 222 152 A 14 ALA H A 15 VAL H 1.0 1.8 3.2 223 153 A 14 ALA H A 13 LYS H 1.0 1.8 3.3 224 154 A 12 LYS H A 13 LYS H 1.0 1.8 3.5 225 155 A 18 LEU H A 17 GLY HAx 1.0 1.8 3.4 226 155 A 18 LEU H A 17 GLY HAy 1.0 1.8 3.4 227 156 A 14 ALA HB% A 15 VAL H 1.0 1.8 3.8 228 157 A 15 VAL H A 13 LYS HBx 1.0 1.8 4.6 229 157 A 13 LYS HBy A 15 VAL H 1.0 1.8 4.6 230 158 A 25 ALA H A 24 ASP H 1.0 1.8 3.5 231 159 A 16 GLY H A 13 LYS HGx 1.0 1.8 5.5 232 159 A 16 GLY H A 13 LYS HGy 1.0 1.8 5.5 233 160 A 16 GLY H A 14 ALA HB% 1.0 1.8 5.5 234 161 A 16 GLY H A 12 LYS HBx 1.0 1.8 5.5 235 161 A 16 GLY H A 12 LYS HBy 1.0 1.8 5.5 236 162 A 16 GLY H A 13 LYS HBx 1.0 1.8 5.5 237 162 A 16 GLY H A 13 LYS HBy 1.0 1.8 5.5 238 163 A 16 GLY H A 15 VAL HB 1.0 1.8 4.4 239 164 A 17 GLY H A 20 LYS HGx 1.0 1.8 5.1 240 164 A 17 GLY H A 20 LYS HGy 1.0 1.8 5.1 241 165 A 17 GLY H A 18 LEU HBx 1.0 1.8 4.9 242 165 A 17 GLY H A 18 LEU HBy 1.0 1.8 4.9 243 166 A 17 GLY H A 20 LYS HBx 1.0 1.8 5.0 244 166 A 17 GLY H A 20 LYS HBy 1.0 1.8 5.0 245 167 A 19 GLY H A 18 LEU H 1.0 1.8 3.6 246 168 A 18 LEU H A 20 LYS H 1.0 1.8 4.3 247 169 A 17 GLY H A 20 LYS H 1.0 1.8 5.1 248 170 A 16 GLY H A 13 LYS H 1.0 1.8 5.5 249 171 A 19 GLY H A 20 LYS H 1.0 1.8 3.6 250 172 A 19 GLY H A 18 LEU HG 1.0 1.8 4.3 251 173 A 19 GLY H A 18 LEU HBx 1.0 1.8 3.9 252 173 A 19 GLY H A 18 LEU HBy 1.0 1.8 3.9 253 174 A 19 GLY H A 20 LYS HGx 1.0 1.8 5.5 254 174 A 19 GLY H A 20 LYS HGy 1.0 1.8 5.5 255 175 A 22 GLY H A 21 LEU HBx 1.0 1.8 4.2 256 175 A 22 GLY H A 21 LEU HBy 1.0 1.8 4.2 257 176 A 22 GLY H A 21 LEU HG 1.0 1.8 5.0 258 177 A 22 GLY H A 23 LYS HGx 1.0 1.8 4.3 259 177 A 22 GLY H A 23 LYS HGy 1.0 1.8 4.3 260 178 A 21 LEU H A 24 ASP HBx 1.0 1.8 5.5 261 178 A 24 ASP HBy A 21 LEU H 1.0 1.8 5.5 262 179 A 22 GLY H A 24 ASP HBx 1.0 1.8 5.5 263 179 A 22 GLY H A 24 ASP HBy 1.0 1.8 5.5 264 180 A 22 GLY H A 23 LYS HA 1.0 1.8 5.1 265 181 A 22 GLY H A 21 LEU H 1.0 1.8 3.5 266 182 A 22 GLY H A 24 ASP H 1.0 1.8 4.9 267 183 A 24 ASP H A 23 LYS HGx 1.0 1.8 4.5 268 183 A 23 LYS HGy A 24 ASP H 1.0 1.8 4.5 269 184 A 24 ASP H A 23 LYS HBx 1.0 1.8 3.6 270 184 A 23 LYS HBy A 24 ASP H 1.0 1.8 3.6 271 185 A 24 ASP H A 23 LYS HDx 1.0 1.8 4.9 272 185 A 24 ASP H A 23 LYS HDy 1.0 1.8 4.9 273 186 A 24 ASP H A 27 GLU HBx 1.0 1.8 5.5 274 186 A 27 GLU HBy A 24 ASP H 1.0 1.8 5.5 275 187 A 23 LYS H A 21 LEU H 1.0 1.8 4.6 276 188 A 23 LYS H A 24 ASP H 1.0 1.8 3.4 277 189 A 24 ASP H A 21 LEU H 1.0 1.8 5.5 278 190 A 25 ALA H A 26 VAL HA 1.0 1.8 5.5 279 191 A 27 GLU H A 26 VAL H 1.0 1.8 3.5 280 192 A 27 GLU H A 25 ALA H 1.0 1.8 4.1 281 193 A 27 GLU H A 25 ALA HB% 1.0 1.7 4.5 282 194 A 27 GLU H A 24 ASP HBx 1.0 1.8 5.5 283 194 A 27 GLU H A 24 ASP HBy 1.0 1.8 5.5 284 195 A 27 GLU H A 28 ASP HBx 1.0 1.8 5.5 285 196 A 27 GLU H A 28 ASP HBy 1.0 1.8 5.5 286 197 A 27 GLU H A 28 ASP H 1.0 1.8 3.4 287 198 A 25 ALA H A 28 ASP H 1.0 1.8 5.4 288 199 A 29 LEU H A 30 GLU H 1.0 1.8 3.5 289 200 A 28 ASP H A 30 GLU H 1.0 1.8 4.5 290 201 A 26 VAL HA A 28 ASP H 1.0 1.8 5.0 291 202 A 28 ASP H A 27 GLU HGx 1.0 1.8 5.5 292 203 A 28 ASP H A 27 GLU HGy 1.0 1.8 5.5 293 204 A 28 ASP H A 27 GLU HBx 1.0 1.8 3.7 294 204 A 27 GLU HBy A 28 ASP H 1.0 1.8 3.7 295 205 A 28 ASP H A 29 LEU HBx 1.0 1.8 5.1 296 205 A 29 LEU HBy A 28 ASP H 1.0 1.8 5.1 297 206 A 38 HIS H A 41 LYS HBx 1.0 1.8 5.5 298 206 A 41 LYS HBy A 38 HIS H 1.0 1.8 5.5 299 207 A 25 ALA HB% A 28 ASP H 1.0 1.8 5.0 300 208 A 29 LEU H A 28 ASP HBy 1.0 1.8 4.4 301 209 A 29 LEU H A 28 ASP HBx 1.0 1.8 4.4 302 210 A 29 LEU H A 30 GLU HGy 1.0 1.8 5.5 303 211 A 29 LEU H A 30 GLU HGx 1.0 1.8 5.5 304 212 A 29 LEU H A 27 GLU HBx 1.0 1.8 5.2 305 212 A 29 LEU H A 27 GLU HBy 1.0 1.8 5.2 306 213 A 29 LEU H A 30 GLU HBx 1.0 1.8 5.5 307 213 A 29 LEU H A 30 GLU HBy 1.0 1.8 5.5 308 214 A 29 LEU HG A 30 GLU H 1.0 1.8 4.0 309 215 A 30 GLU H A 29 LEU HBx 1.0 1.8 3.8 310 215 A 29 LEU HBy A 30 GLU H 1.0 1.8 3.8 311 216 A 30 GLU H A 31 SER HA 1.0 1.8 5.5 312 217 A 32 VAL H A 30 GLU H 1.0 1.8 5.0 313 218 A 27 GLU H A 31 SER H 1.0 1.8 5.5 314 219 A 31 SER H A 30 GLU H 1.0 1.8 3.5 315 220 A 31 SER H A 29 LEU H 1.0 1.8 4.4 316 221 A 31 SER H A 33 GLY H 1.0 1.8 4.9 317 222 A 31 SER H A 30 GLU HBx 1.0 1.8 3.6 318 222 A 31 SER H A 30 GLU HBy 1.0 1.8 3.6 319 223 A 31 SER H A 30 GLU HGy 1.0 1.8 5.5 320 224 A 31 SER H A 30 GLU HGx 1.0 1.8 5.5 321 225 A 31 SER H A 29 LEU HBx 1.0 1.8 5.4 322 225 A 31 SER H A 29 LEU HBy 1.0 1.8 5.4 323 226 A 31 SER H A 29 LEU HG 1.0 1.8 5.5 324 227 A 33 GLY H A 32 VAL HGy% 1.0 1.8 4.1 325 228 A 33 GLY H A 32 VAL HGx% 1.0 1.8 4.1 326 229 A 32 VAL H A 32 VAL HGy% 1.0 1.8 3.8 327 230 A 34 LYS H A 32 VAL HGx% 1.0 1.8 5.3 328 231 A 34 LYS H A 32 VAL HGy% 1.0 1.8 5.3 329 232 A 28 ASP HA A 32 VAL H 1.0 1.8 5.1 330 233 A 31 SER H A 32 VAL H 1.0 1.8 3.4 331 234 A 33 GLY H A 34 LYS H 1.0 1.8 3.6 332 235 A 32 VAL H A 33 GLY H 1.0 1.8 3.6 333 236 A 33 GLY H A 30 GLU H 1.0 1.8 5.2 334 237 A 33 GLY H A 31 SER HA 1.0 1.8 5.0 335 238 A 33 GLY H A 32 VAL HB 1.0 1.8 4.1 336 239 A 33 GLY H A 36 ALA HB% 1.0 1.8 5.5 337 240 A 33 GLY H A 34 LYS HBx 1.0 1.8 5.0 338 240 A 33 GLY H A 34 LYS HBy 1.0 1.8 5.0 339 241 A 34 LYS H A 34 LYS HDx 1.0 1.8 4.6 340 241 A 34 LYS H A 34 LYS HDy 1.0 1.8 4.6 341 242 A 35 GLY H A 36 ALA HB% 1.0 1.8 4.8 342 243 A 36 ALA HB% A 34 LYS H 1.0 1.8 4.6 343 244 A 35 GLY H A 34 LYS HBx 1.0 1.8 3.8 344 244 A 35 GLY H A 34 LYS HBy 1.0 1.8 3.8 345 245 A 25 ALA H A 26 VAL HB 1.0 1.8 5.5 346 246 A 36 ALA H A 37 VAL HB 1.0 1.8 5.5 347 247 A 35 GLY H A 36 ALA H 1.0 1.8 3.4 348 248 A 36 ALA H A 37 VAL H 1.0 1.8 3.6 349 249 A 38 HIS H A 37 VAL H 1.0 1.8 3.8 350 250 A 40 VAL H A 37 VAL H 1.0 1.8 4.8 351 251 A 37 VAL H A 38 HIS HA 1.0 1.8 5.5 352 252 A 36 ALA HB% A 37 VAL H 1.0 1.8 3.6 353 253 A 31 SER H A 28 ASP H 1.0 1.8 5.5 354 254 A 36 ALA H A 38 HIS H 1.0 1.8 5.0 355 255 A 36 ALA H A 39 ASP H 1.0 1.8 4.8 356 256 A 39 ASP H A 37 VAL H 1.0 1.8 5.2 357 257 A 36 ALA HA A 38 HIS H 1.0 1.8 4.6 358 258 A 38 HIS H A 39 ASP HBx 1.0 1.8 4.5 359 258 A 39 ASP HBy A 38 HIS H 1.0 1.8 4.5 360 259 A 38 HIS H A 37 VAL HB 1.0 1.8 4.0 361 260 A 36 ALA HB% A 39 ASP H 1.0 1.8 5.4 362 261 A 39 ASP H A 37 VAL HB 1.0 1.8 5.5 363 262 A 40 VAL HB A 39 ASP H 1.0 1.8 5.5 364 263 A 39 ASP H A 38 HIS HBy 1.0 1.8 4.1 365 264 A 39 ASP H A 38 HIS HBx 1.0 1.8 4.1 366 265 A 40 VAL H A 39 ASP H 1.0 1.8 3.5 367 266 A 40 VAL H A 42 ASP H 1.0 1.8 4.4 368 267 A 41 LYS H A 42 ASP H 1.0 1.8 3.6 369 268 A 40 VAL H A 36 ALA HA 1.0 1.8 5.5 370 269 A 40 VAL H A 39 ASP HBx 1.0 1.8 3.4 371 269 A 40 VAL H A 39 ASP HBy 1.0 1.8 3.4 372 270 A 40 VAL HB A 41 LYS H 1.0 1.8 4.2 373 271 A 41 LYS H A 39 ASP HBx 1.0 1.8 5.2 374 271 A 41 LYS H A 39 ASP HBy 1.0 1.8 5.2 375 272 A 41 LYS H A 42 ASP HBx 1.0 1.8 5.5 376 272 A 41 LYS H A 42 ASP HBy 1.0 1.8 5.5 377 273 A 41 LYS H A 38 HIS HA 1.0 1.8 4.9 378 274 A 24 ASP H A 26 VAL H 1.0 1.8 5.5 379 275 A 44 LEU H A 42 ASP H 1.0 1.8 5.5 380 276 A 43 VAL H A 41 LYS HBx 1.0 1.8 5.2 381 276 A 41 LYS HBy A 43 VAL H 1.0 1.8 5.2 382 277 A 43 VAL H A 44 LEU HBx 1.0 1.8 5.5 383 277 A 44 LEU HBy A 43 VAL H 1.0 1.8 5.5 384 278 A 43 VAL H A 42 ASP HBx 1.0 1.8 3.7 385 278 A 43 VAL H A 42 ASP HBy 1.0 1.8 3.7 386 279 A 43 VAL H A 39 ASP HA 1.0 1.8 5.3 387 280 A 43 VAL H A 44 LEU HA 1.0 1.8 5.5 388 281 A 43 VAL H A 42 ASP H 1.0 1.8 3.4 389 282 A 44 LEU H A 43 VAL H 1.0 1.8 3.4 390 283 A 44 LEU H A 42 ASP HA 1.0 1.8 5.5 391 284 A 44 LEU H A 43 VAL HB 1.0 1.8 3.4 392 285 A 44 LEU HG A 45 ASP H 1.0 1.8 4.2 393 286 A 45 ASP H A 44 LEU HBx 1.0 1.8 3.6 394 286 A 44 LEU HBy A 45 ASP H 1.0 1.8 3.6 395 287 A 43 VAL H A 45 ASP H 1.0 1.8 5.0 396 288 A 45 ASP H A 46 SER H 1.0 1.8 3.6 397 289 A 46 SER H A 47 VAL H 1.0 1.8 3.5 398 290 A 46 SER H A 45 ASP HBx 1.0 1.8 4.2 399 290 A 45 ASP HBy A 46 SER H 1.0 1.8 4.2 400 291 A 46 SER H A 47 VAL HB 1.0 1.8 5.5 401 292 A 46 SER H A 44 LEU HBx 1.0 1.8 5.5 402 292 A 44 LEU HBy A 46 SER H 1.0 1.8 5.5 403 293 A 44 LEU HG A 46 SER H 1.0 1.8 5.5 404 294 A 4 LEU H A 8 LEU HBx 1.0 1.8 5.4 405 294 A 8 LEU HBy A 4 LEU H 1.0 1.8 5.4 406 295 A 47 VAL H A 47 VAL HB 1.0 1.8 3.7 407 296 A 7 GLY H A 4 LEU H 1.0 1.8 5.0 408 297 A 45 ASP H A 47 VAL H 1.0 1.8 5.5 409 298 A 48 LEU H A 47 VAL HB 1.0 1.8 4.2 410 299 A 4 LEU H A 4 LEU HBx 1.0 1.8 2.9 411 299 A 4 LEU HBy A 4 LEU H 1.0 1.8 2.9 412 300 A 5 GLU H A 4 LEU HBx 1.0 1.8 3.3 413 300 A 4 LEU HBy A 5 GLU H 1.0 1.8 3.3 414 301 A 20 LYS H A 20 LYS HBx 1.0 1.8 3.2 415 301 A 20 LYS H A 20 LYS HBy 1.0 1.8 3.2 416 302 A 21 LEU H A 20 LYS HBx 1.0 1.8 3.7 417 302 A 21 LEU H A 20 LYS HBy 1.0 1.8 3.7 418 303 A 21 LEU H A 21 LEU HG 1.0 1.8 3.6 419 304 A 3 LEU H A 2 SER H 1.0 1.8 5.0 420 305 A 5 GLU H A 6 LYS HBx 1.0 1.8 5.5 421 305 A 6 LYS HBy A 5 GLU H 1.0 1.8 5.5 422 306 A 7 GLY H A 3 LEU H 1.0 1.8 5.1 423 307 A 9 ASP HA A 8 LEU H 1.0 1.8 5.5 424 308 A 11 ALA H A 13 LYS H 1.0 1.8 4.7 425 309 A 25 ALA H A 23 LYS HDx 1.0 1.8 5.5 426 309 A 25 ALA H A 23 LYS HDy 1.0 1.8 5.5 427 310 A 14 ALA H A 13 LYS HDx 1.0 1.8 4.9 428 310 A 14 ALA H A 13 LYS HDy 1.0 1.8 4.9 429 311 A 23 LYS H A 20 LYS HA 1.0 1.8 5.3 430 312 A 23 LYS H A 21 LEU HA 1.0 1.8 5.5 431 313 A 24 ASP H A 21 LEU HA 1.0 1.8 4.3 432 314 A 27 GLU H A 29 LEU HBx 1.0 1.8 5.5 433 314 A 27 GLU H A 29 LEU HBy 1.0 1.8 5.5 434 315 A 6 LYS H A 5 GLU HBx 1.0 1.8 3.7 435 315 A 6 LYS H A 5 GLU HBy 1.0 1.8 3.7 436 316 A 35 GLY H A 34 LYS HGx 1.0 1.8 5.5 437 316 A 35 GLY H A 34 LYS HGy 1.0 1.8 5.5 438 317 A 3 LEU H A 2 SER HBy 1.0 1.8 3.7 439 317 A 3 LEU H A 2 SER HBx 1.0 1.8 3.7 440 318 A 9 ASP H A 9 ASP HBx 1.0 1.8 3.1 441 318 A 9 ASP H A 9 ASP HBy 1.0 1.8 3.1 442 319 A 10 GLY H A 9 ASP HBx 1.0 1.8 3.7 443 319 A 10 GLY H A 9 ASP HBy 1.0 1.8 3.7 444 320 A 11 ALA H A 9 ASP HBx 1.0 1.8 5.3 445 320 A 11 ALA H A 9 ASP HBy 1.0 1.8 5.3 446 321 A 27 GLU H A 27 GLU HGx 1.0 1.8 3.5 447 321 A 27 GLU H A 27 GLU HGy 1.0 1.8 3.5 448 322 A 28 ASP H A 28 ASP HBx 1.0 1.8 3.0 449 322 A 28 ASP H A 28 ASP HBy 1.0 1.8 3.0 450 323 A 29 LEU H A 28 ASP HBx 1.0 1.8 3.5 451 323 A 29 LEU H A 28 ASP HBy 1.0 1.8 3.5 452 324 A 29 LEU H A 32 VAL HGy% 1.0 1.8 5.1 453 324 A 29 LEU H A 32 VAL HGx% 1.0 1.8 5.1 454 325 A 30 GLU H A 30 GLU HGx 1.0 1.8 3.4 455 325 A 30 GLU H A 30 GLU HGy 1.0 1.8 3.4 456 326 A 30 GLU H A 31 SER HBy 1.0 1.8 5.0 457 326 A 30 GLU H A 31 SER HBx 1.0 1.8 5.0 458 327 A 30 GLU H A 32 VAL HGy% 1.0 1.8 5.2 459 327 A 30 GLU H A 32 VAL HGx% 1.0 1.8 5.2 460 328 A 31 SER H A 30 GLU HGx 1.0 1.8 4.8 461 328 A 31 SER H A 30 GLU HGy 1.0 1.8 4.8 462 329 A 31 SER H A 31 SER HBy 1.0 1.8 3.2 463 329 A 31 SER H A 31 SER HBx 1.0 1.8 3.2 464 330 A 31 SER H A 32 VAL HGy% 1.0 1.8 4.7 465 330 A 31 SER H A 32 VAL HGx% 1.0 1.8 4.7 466 331 A 32 VAL H A 31 SER HBy 1.0 1.8 3.4 467 331 A 32 VAL H A 31 SER HBx 1.0 1.8 3.4 468 332 A 32 VAL H A 32 VAL HGy% 1.0 1.8 3.0 469 332 A 32 VAL H A 32 VAL HGx% 1.0 1.8 3.0 470 333 A 34 LYS H A 32 VAL HGy% 1.0 1.8 4.6 471 333 A 34 LYS H A 32 VAL HGx% 1.0 1.8 4.6 472 334 A 35 GLY H A 32 VAL HGy% 1.0 1.7 5.2 473 334 A 35 GLY H A 32 VAL HGx% 1.0 1.7 5.2 474 335 A 38 HIS H A 38 HIS HBx 1.0 1.8 3.1 475 335 A 38 HIS H A 38 HIS HBy 1.0 1.8 3.1 476 336 A 39 ASP H A 38 HIS HBx 1.0 1.8 3.5 477 336 A 39 ASP H A 38 HIS HBy 1.0 1.8 3.5 478 337 A 45 ASP H A 46 SER HBy 1.0 1.8 5.3 479 337 A 45 ASP H A 46 SER HBx 1.0 1.8 5.3 480 338 A 47 VAL H A 46 SER HBy 1.0 1.8 4.3 481 338 A 47 VAL H A 46 SER HBx 1.0 1.8 4.3 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 2 SER C A 3 LEU N A 3 LEU CA A 3 LEU C 1.0 -90.0 -30.0 PHI 2 2 A 4 LEU C A 5 GLU N A 5 GLU CA A 5 GLU C 1.0 -90.0 -30.0 PHI 3 3 A 7 GLY C A 8 LEU N A 8 LEU CA A 8 LEU C 1.0 -90.0 -30.0 PHI 4 4 A 8 LEU C A 9 ASP N A 9 ASP CA A 9 ASP C 1.0 -90.0 -30.0 PHI 5 5 A 10 GLY C A 11 ALA N A 11 ALA CA A 11 ALA C 1.0 -90.0 -30.0 PHI 6 6 A 11 ALA C A 12 LYS N A 12 LYS CA A 12 LYS C 1.0 -90.0 -30.0 PHI 7 7 A 22 GLY C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -90.0 -30.0 PHI 8 8 A 25 ALA C A 26 VAL N A 26 VAL CA A 26 VAL C 1.0 -90.0 -30.0 PHI 9 9 A 26 VAL C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -90.0 -30.0 PHI 10 10 A 27 GLU C A 28 ASP N A 28 ASP CA A 28 ASP C 1.0 -90.0 -30.0 PHI 11 11 A 29 LEU C A 30 GLU N A 30 GLU CA A 30 GLU C 1.0 -90.0 -30.0 PHI 12 12 A 31 SER C A 32 VAL N A 32 VAL CA A 32 VAL C 1.0 -90.0 -30.0 PHI 13 13 A 35 GLY C A 36 ALA N A 36 ALA CA A 36 ALA C 1.0 -90.0 -30.0 PHI 14 14 A 39 ASP C A 40 VAL N A 40 VAL CA A 40 VAL C 1.0 -90.0 -30.0 PHI 15 15 A 40 VAL C A 41 LYS N A 41 LYS CA A 41 LYS C 1.0 -90.0 -30.0 PHI 16 16 A 43 VAL C A 44 LEU N A 44 LEU CA A 44 LEU C 1.0 -90.0 -30.0 PHI 17 17 A 44 LEU C A 45 ASP N A 45 ASP CA A 45 ASP C 1.0 -90.0 -30.0 PHI stop_ save_