data_nef_c19070_2m5p 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 19071 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 HIS C 1 2 AIB N 1 2 AIB C 1 3 GLN N 1 15 ASP C 1 16 AIB N 1 16 AIB C 1 17 ARG N 1 13 LYS NZ 2 1 GGL CD 2 1 GGL N 2 2 GGL CD 2 2 GGL N 3 1 PLM C1 1 29 THR C 1 30 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 X 1 HIS start . . 2 X 2 AIB middle . . 3 X 3 GLN middle . . 4 X 4 GLY middle . false 5 X 5 THR middle . . 6 X 6 PHE middle . . 7 X 7 THR middle . . 8 X 8 SER middle . . 9 X 9 ASP middle . . 10 X 10 TYR middle . . 11 X 11 SER middle . . 12 X 12 LYS middle . . 13 X 13 LYS middle . . 14 X 14 LEU middle . . 15 X 15 ASP middle . . 16 X 16 AIB middle . . 17 X 17 ARG middle . . 18 X 18 ARG middle . . 19 X 19 ALA middle . . 20 X 20 GLN middle . . 21 X 21 ASP middle . . 22 X 22 PHE middle . . 23 X 23 VAL middle . . 24 X 24 GLN middle . . 25 X 25 TRP middle . . 26 X 26 LEU middle . . 27 X 27 MET middle . . 28 X 28 ASN middle . . 29 X 29 THR middle . . 30 X 30 NH2 end . . 31 A 1 GGL . . . 32 A 2 GGL . . . 33 B 1 PLM . . . 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 X 1 HIS H1 H 1 8.463 0.000 X 1 HIS HBx H 1 3.079 0.004 X 1 HIS HBy H 1 3.353 0.003 X 1 HIS HD2 H 1 7.412 0.003 X 1 HIS HE1 H 1 8.648 0.003 X 2 AIB H H 1 8.916 0.001 X 2 AIB HB1% H 1 1.388 0.012 X 2 AIB HB2% H 1 1.441 0.007 X 3 GLN H H 1 8.219 0.005 X 3 GLN HA H 1 4.343 0.004 X 3 GLN HBx H 1 2.023 0.006 X 3 GLN HBy H 1 2.134 0.024 X 3 GLN HE22 H 1 7.534 0.000 X 3 GLN HGx H 1 2.314 0.016 X 3 GLN HGy H 1 2.385 0.004 X 4 GLY H H 1 8.378 0.005 X 4 GLY HAx H 1 3.901 0.013 X 4 GLY HAy H 1 3.974 0.003 X 5 THR H H 1 8.000 0.003 X 5 THR HA H 1 4.291 0.003 X 5 THR HB H 1 4.111 0.004 X 5 THR HG2% H 1 1.086 0.006 X 6 PHE H H 1 8.373 0.002 X 6 PHE HA H 1 4.673 0.004 X 6 PHE HBx H 1 2.991 0.005 X 6 PHE HBy H 1 3.125 0.002 X 6 PHE HD1 H 1 7.187 0.004 X 6 PHE HD2 H 1 7.187 0.004 X 6 PHE HE1 H 1 7.246 0.008 X 6 PHE HE2 H 1 7.246 0.008 X 7 THR H H 1 8.090 0.006 X 7 THR HA H 1 4.271 0.031 X 7 THR HB H 1 4.175 0.007 X 7 THR HG2% H 1 1.132 0.007 X 8 SER H H 1 8.211 0.017 X 8 SER HA H 1 4.347 0.010 X 8 SER HBx H 1 3.628 0.010 X 8 SER HBy H 1 3.717 0.034 X 9 ASP H H 1 8.324 0.005 X 9 ASP HA H 1 4.594 0.006 X 9 ASP HBx H 1 2.620 0.011 X 9 ASP HBy H 1 2.712 0.006 X 10 TYR H H 1 8.136 0.011 X 10 TYR HA H 1 3.913 0.000 X 10 TYR HBx H 1 2.965 0.004 X 10 TYR HBy H 1 3.063 0.000 X 10 TYR HD1 H 1 6.971 0.018 X 10 TYR HD2 H 1 6.971 0.018 X 10 TYR HE1 H 1 6.735 0.007 X 10 TYR HE2 H 1 6.735 0.007 X 11 SER H H 1 8.211 0.002 X 11 SER HA H 1 4.528 0.014 X 11 SER HBx H 1 3.838 0.008 X 11 SER HBy H 1 3.976 0.001 X 12 LYS H H 1 7.979 0.010 X 12 LYS HA H 1 4.159 0.009 X 12 LYS HBx H 1 2.131 0.009 X 12 LYS HBy H 1 2.199 0.010 X 12 LYS HDx H 1 1.833 0.007 X 12 LYS HDy H 1 1.896 0.031 X 12 LYS HEx H 1 3.020 0.009 X 12 LYS HEy H 1 3.379 0.015 X 12 LYS HGx H 1 0.914 0.005 X 12 LYS HGy H 1 1.132 0.010 X 12 LYS HZ1 H 1 7.407 0.008 X 12 LYS HZ2 H 1 7.407 0.008 X 12 LYS HZ3 H 1 7.407 0.008 X 13 LYS H H 1 7.722 0.012 X 13 LYS HA H 1 4.036 0.009 X 13 LYS HBx H 1 1.651 0.009 X 13 LYS HBy H 1 1.862 0.009 X 13 LYS HDx H 1 1.383 0.009 X 13 LYS HDy H 1 1.440 0.013 X 13 LYS HEx H 1 3.059 0.010 X 13 LYS HEy H 1 3.361 0.029 X 13 LYS HGx H 1 0.957 0.002 X 13 LYS HGy H 1 1.082 0.005 X 13 LYS HZ1 H 1 7.850 0.006 X 13 LYS HZ2 H 1 7.850 0.006 X 13 LYS HZ3 H 1 7.850 0.006 X 14 LEU H H 1 7.802 0.008 X 14 LEU HA H 1 4.193 0.009 X 14 LEU HBx H 1 1.565 0.005 X 14 LEU HBy H 1 1.617 0.001 X 14 LEU HDx% H 1 0.779 0.008 X 14 LEU HDy% H 1 0.819 0.007 X 14 LEU HG H 1 1.515 0.014 X 15 ASP H H 1 8.081 0.010 X 15 ASP HA H 1 4.510 0.005 X 15 ASP HBx H 1 2.769 0.013 X 15 ASP HBy H 1 2.841 0.012 X 16 AIB H H 1 8.258 0.009 X 16 AIB HB1% H 1 1.406 0.013 X 16 AIB HB2% H 1 1.480 0.009 X 17 ARG H H 1 7.806 0.009 X 17 ARG HA H 1 4.257 0.008 X 17 ARG HBx H 1 1.647 0.009 X 17 ARG HBy H 1 1.752 0.010 X 17 ARG HDx H 1 2.719 0.005 X 17 ARG HDy H 1 2.946 0.055 X 17 ARG HE H 1 7.524 0.008 X 17 ARG HGx H 1 1.375 0.012 X 17 ARG HGy H 1 1.434 0.020 X 17 ARG HH11 H 1 6.877 0.002 X 17 ARG HH21 H 1 6.815 0.000 X 18 ARG H H 1 7.989 0.000 X 18 ARG HA H 1 4.558 0.000 X 18 ARG HBx H 1 1.869 0.006 X 18 ARG HBy H 1 1.898 0.008 X 18 ARG HDx H 1 2.966 0.000 X 18 ARG HDy H 1 3.212 0.005 X 18 ARG HE H 1 7.434 0.007 X 18 ARG HGx H 1 1.702 0.007 X 18 ARG HGy H 1 1.771 0.000 X 18 ARG HH11 H 1 6.875 0.002 X 18 ARG HH21 H 1 6.749 0.000 X 19 ALA H H 1 8.942 0.000 X 19 ALA HA H 1 4.166 0.000 X 19 ALA HB% H 1 1.484 0.006 X 20 GLN H H 1 8.049 0.005 X 20 GLN HA H 1 4.155 0.004 X 20 GLN HBx H 1 1.837 0.007 X 20 GLN HBy H 1 2.099 0.010 X 20 GLN HGx H 1 2.215 0.003 X 20 GLN HGy H 1 2.215 0.003 X 21 ASP H H 1 7.987 0.004 X 21 ASP HA H 1 4.202 0.006 X 21 ASP HBx H 1 2.140 0.017 X 21 ASP HBy H 1 2.323 0.006 X 22 PHE H H 1 8.115 0.000 X 22 PHE HA H 1 4.080 0.011 X 22 PHE HBx H 1 3.208 0.007 X 22 PHE HBy H 1 3.243 0.003 X 22 PHE HD1 H 1 6.799 0.000 X 22 PHE HD2 H 1 6.799 0.000 X 22 PHE HE1 H 1 7.102 0.005 X 22 PHE HE2 H 1 7.102 0.005 X 23 VAL HA H 1 3.403 0.013 X 23 VAL HGx% H 1 1.119 0.017 X 23 VAL HGy% H 1 1.184 0.014 X 24 GLN H H 1 7.930 0.009 X 24 GLN HA H 1 4.293 0.005 X 24 GLN HBx H 1 1.839 0.009 X 24 GLN HBy H 1 2.097 0.015 X 24 GLN HGx H 1 2.154 0.002 X 24 GLN HGy H 1 2.218 0.009 X 25 TRP H H 1 8.002 0.009 X 25 TRP HA H 1 4.387 0.001 X 25 TRP HBx H 1 3.279 0.000 X 25 TRP HBy H 1 3.279 0.000 X 25 TRP HD1 H 1 7.148 0.001 X 25 TRP HE1 H 1 10.100 0.000 X 25 TRP HE3 H 1 7.635 0.004 X 25 TRP HH2 H 1 6.922 0.000 X 25 TRP HZ2 H 1 7.262 0.000 X 25 TRP HZ3 H 1 6.753 0.012 X 26 LEU H H 1 8.305 0.010 X 26 LEU HA H 1 3.969 0.000 X 26 LEU HBx H 1 2.160 0.012 X 26 LEU HBy H 1 2.378 0.000 X 26 LEU HD1% H 1 0.660 0.008 X 26 LEU HD2% H 1 0.660 0.008 X 26 LEU HG H 1 1.428 0.007 X 27 MET H H 1 8.885 0.003 X 27 MET HA H 1 4.426 0.006 X 27 MET HBx H 1 1.909 0.003 X 27 MET HBy H 1 1.996 0.014 X 27 MET HGx H 1 2.363 0.000 X 27 MET HGy H 1 2.602 0.003 X 29 THR H H 1 8.641 0.002 X 29 THR HA H 1 3.993 0.008 X 29 THR HB H 1 4.107 0.007 X 29 THR HG2% H 1 1.007 0.001 A 1 GGL HA H 1 4.248 0.005 A 1 GGL HB2 H 1 2.025 0.010 A 1 GGL HB3 H 1 2.133 0.008 A 1 GGL HG2 H 1 2.312 0.000 A 1 GGL HG3 H 1 2.386 0.006 A 1 GGL HN H 1 7.893 0.011 B 1 PLM H15 H 1 1.236 0.019 B 1 PLM H16 H 1 0.845 0.014 B 1 PLM H2x H 1 2.349 0.003 B 1 PLM H2y H 1 2.349 0.003 B 1 PLM H3x H 1 1.576 0.008 B 1 PLM H3y H 1 1.576 0.008 B 1 PLM H4x H 1 1.306 0.007 B 1 PLM H4y H 1 1.306 0.007 B 1 PLM H5x H 1 1.244 0.008 B 1 PLM H5y H 1 1.244 0.008 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 X 9 ASP HA X 13 LYS HDx 1.0 1.8 6.0 2 1 X 9 ASP HA X 13 LYS HDy 1.0 1.8 6.0 3 2 X 14 LEU HDx% X 18 ARG HGx 1.0 1.8 6.0 4 2 X 14 LEU HDy% X 18 ARG HGx 1.0 1.8 6.0 5 2 X 18 ARG HGy X 14 LEU HDx% 1.0 1.8 6.0 6 2 X 14 LEU HDy% X 18 ARG HGy 1.0 1.8 6.0 7 3 X 14 LEU HG X 18 ARG HDx 1.0 1.8 6.0 8 3 X 18 ARG HDy X 14 LEU HG 1.0 1.8 6.0 9 4 X 4 GLY HAx X 8 SER HBy 1.0 1.8 3.6 10 4 X 4 GLY HAy X 8 SER HBy 1.0 1.8 3.6 11 4 X 8 SER HBx X 4 GLY HAx 1.0 1.8 3.6 12 4 X 4 GLY HAy X 8 SER HBx 1.0 1.8 3.6 13 5 X 6 PHE HD% X 10 TYR HD% 1.0 1.8 4.7 14 6 X 6 PHE HD% X 10 TYR HE% 1.0 1.8 4.0 15 7 X 7 THR HA X 11 SER HBx 1.0 1.8 5.9 16 7 X 7 THR HA X 11 SER HBy 1.0 1.8 5.9 17 8 X 8 SER HA X 12 LYS HGy 1.0 1.8 4.0 18 8 X 8 SER HA X 12 LYS HGx 1.0 1.8 4.0 19 9 X 6 PHE HD% X 10 TYR HE% 1.0 1.8 5.7 20 10 X 10 TYR HE% X 14 LEU HDx% 1.0 1.8 6.0 21 10 X 14 LEU HDy% X 10 TYR HE% 1.0 1.8 6.0 22 11 X 7 THR HB X 11 SER HBx 1.0 1.8 4.9 23 11 X 11 SER HBy X 7 THR HB 1.0 1.8 4.9 24 12 X 9 ASP HA X 13 LYS H 1.0 1.8 4.0 25 13 X 9 ASP HA X 13 LYS HBy 1.0 1.8 5.4 26 13 X 9 ASP HA X 13 LYS HBx 1.0 1.8 5.4 27 14 X 13 LYS HEx X 17 ARG HDx 1.0 1.8 4.7 28 14 X 13 LYS HEy X 17 ARG HDx 1.0 1.8 4.7 29 14 X 17 ARG HDy X 13 LYS HEx 1.0 1.8 4.7 30 14 X 13 LYS HEy X 17 ARG HDy 1.0 1.8 4.7 31 15 X 13 LYS HZ% X 17 ARG HBy 1.0 1.8 5.7 32 15 X 17 ARG HBx X 13 LYS HZ% 1.0 1.8 5.7 33 16 X 22 PHE HA X 18 ARG HBy 1.0 1.8 3.0 34 16 X 18 ARG HBx X 22 PHE HA 1.0 1.8 3.0 35 17 X 22 PHE HA X 18 ARG HGx 1.0 1.8 4.0 36 17 X 18 ARG HGy X 22 PHE HA 1.0 1.8 4.0 37 18 X 22 PHE HA X 18 ARG HE 1.0 1.8 4.0 38 19 X 22 PHE HE% X 26 LEU HD1% 1.0 1.8 5.0 39 19 X 22 PHE HE% X 26 LEU HD2% 1.0 1.8 5.0 40 20 X 22 PHE HBy X 26 LEU HD1% 1.0 1.8 5.0 41 20 X 22 PHE HBx X 26 LEU HD1% 1.0 1.8 5.0 42 20 X 26 LEU HD2% X 22 PHE HBx 1.0 1.8 5.0 43 20 X 26 LEU HD2% X 22 PHE HBy 1.0 1.8 5.0 44 21 X 25 TRP HA X 29 THR HB 1.0 1.8 4.3 45 22 X 15 ASP HA X 12 LYS HBx 1.0 1.8 6.0 46 22 X 12 LYS HBy X 15 ASP HA 1.0 1.8 6.0 47 23 X 17 ARG HA X 14 LEU HDx% 1.0 1.8 4.8 48 24 X 14 LEU HDy% X 17 ARG HA 1.0 1.8 4.6 49 25 X 4 GLY H X 1 HIS HBy 1.0 1.8 5.5 50 25 X 1 HIS HBx X 4 GLY H 1.0 1.8 5.5 51 26 X 7 THR HB X 4 GLY HAx 1.0 1.8 4.0 52 26 X 4 GLY HAy X 7 THR HB 1.0 1.8 4.0 53 27 X 6 PHE HD% X 3 GLN HBy 1.0 1.8 4.2 54 27 X 6 PHE HD% X 3 GLN HBx 1.0 1.8 4.2 55 28 X 6 PHE HE% X 3 GLN HBy 1.0 1.8 4.0 56 28 X 6 PHE HE% X 3 GLN HBx 1.0 1.8 4.0 57 29 X 10 TYR HE% X 7 THR HA 1.0 1.8 4.0 58 30 X 10 TYR HE% X 7 THR HB 1.0 1.8 3.9 59 31 X 10 TYR HD% X 7 THR HB 1.0 1.8 4.0 60 32 X 10 TYR HE% X 7 THR HG2% 1.0 1.8 4.3 61 33 X 10 TYR HD% X 7 THR HG2% 1.0 1.8 4.8 62 34 X 8 SER HA X 11 SER HBx 1.0 1.8 3.0 63 34 X 11 SER HBy X 8 SER HA 1.0 1.8 3.0 64 35 X 9 ASP HBy X 12 LYS HGy 1.0 1.8 6.0 65 35 X 9 ASP HBx X 12 LYS HGy 1.0 1.8 6.0 66 36 X 12 LYS HGx X 9 ASP HBx 1.0 1.8 6.0 67 36 X 12 LYS HGx X 9 ASP HBy 1.0 1.8 6.0 68 37 X 7 THR HA X 10 TYR HBx 1.0 1.8 4.0 69 37 X 7 THR HA X 10 TYR HBy 1.0 1.8 4.0 70 38 X 10 TYR HE% X 7 THR HG2% 1.0 1.8 4.3 71 39 X 10 TYR HE% X 7 THR HB 1.0 1.8 3.8 72 40 X 10 TYR HE% X 7 THR HA 1.0 1.8 3.0 73 41 X 8 SER HA X 11 SER HBx 1.0 1.8 3.0 74 41 X 11 SER HBy X 8 SER HA 1.0 1.8 3.0 75 42 X 9 ASP H X 12 LYS HGy 1.0 1.8 4.6 76 42 X 12 LYS HGx X 9 ASP H 1.0 1.8 4.6 77 43 X 21 ASP HA X 24 GLN H 1.0 1.8 3.8 78 44 X 22 PHE HBy X 25 TRP H 1.0 1.8 6.0 79 45 X 25 TRP H X 22 PHE HBx 1.0 1.8 5.5 80 46 X 22 PHE HE% X 25 TRP HBx 1.0 1.8 4.8 81 46 X 22 PHE HE% X 25 TRP HBy 1.0 1.8 4.8 82 47 X 23 VAL HA X 26 LEU HD1% 1.0 1.8 5.0 83 47 X 26 LEU HD2% X 23 VAL HA 1.0 1.8 5.0 84 48 X 23 VAL HGy% X 26 LEU HD1% 1.0 1.8 4.0 85 48 X 23 VAL HGx% X 26 LEU HD1% 1.0 1.8 4.0 86 48 X 26 LEU HD2% X 23 VAL HGy% 1.0 1.8 4.0 87 48 X 26 LEU HD2% X 23 VAL HGx% 1.0 1.8 4.0 88 49 X 27 MET H X 24 GLN HA 1.0 1.8 4.0 89 50 X 3 GLN H X 1 HIS HBy 1.0 1.8 3.0 90 50 X 3 GLN H X 1 HIS HBx 1.0 1.8 3.0 91 51 X 4 GLY H X 2 ABA HBx 1.0 1.8 3.5 92 52 X 3 GLN H X 1 HIS HBy 1.0 1.8 3.0 93 52 X 3 GLN H X 1 HIS HBx 1.0 1.8 3.0 94 53 X 3 GLN H X 1 HIS HA 1.0 1.8 4.1 95 54 X 5 THR HG2% X 3 GLN HBy 1.0 1.8 3.0 96 54 X 5 THR HG2% X 3 GLN HBx 1.0 1.8 3.0 97 55 X 5 THR HG2% X 3 GLN HGy 1.0 1.8 3.0 98 56 X 5 THR HG2% X 3 GLN HGx 1.0 1.8 3.0 99 57 X 3 GLN H X 5 THR H 1.0 1.8 4.9 100 58 X 6 PHE HD% X 4 GLY HAx 1.0 1.8 4.0 101 58 X 6 PHE HD% X 4 GLY HAy 1.0 1.8 4.0 102 59 X 4 GLY H X 2 ABA HBx 1.0 1.8 3.5 103 60 X 5 THR HG2% X 7 THR H 1.0 1.8 3.9 104 61 X 5 THR H X 3 GLN HBy 1.0 1.8 4.0 105 61 X 5 THR H X 3 GLN HBx 1.0 1.8 4.0 106 62 X 10 TYR HD% X 8 SER HA 1.0 1.8 6.0 107 63 X 15 ASP HBy X 17 ARG HGx 1.0 1.8 5.2 108 63 X 15 ASP HBx X 17 ARG HGx 1.0 1.8 5.2 109 63 X 17 ARG HGy X 15 ASP HBx 1.0 1.8 5.2 110 63 X 15 ASP HBy X 17 ARG HGy 1.0 1.8 5.2 111 64 X 22 PHE HE% X 20 GLN HA 1.0 1.8 4.0 112 65 X 20 GLN H X 18 ARG HBy 1.0 1.8 3.0 113 65 X 18 ARG HBx X 20 GLN H 1.0 1.8 3.0 114 66 X 29 THR H X 27 MET HA 1.0 1.8 4.0 115 67 X 9 ASP HA X 10 TYR HE% 1.0 1.8 6.0 116 68 X 17 ARG HDy X 18 ARG HBy 1.0 1.8 5.3 117 68 X 17 ARG HDx X 18 ARG HBy 1.0 1.8 5.3 118 68 X 18 ARG HBx X 17 ARG HDx 1.0 1.8 5.3 119 68 X 17 ARG HDy X 18 ARG HBx 1.0 1.8 5.3 120 69 X 2 ABA HBx X 1 HIS HA 1.0 1.8 4.0 121 70 X 4 GLY H X 3 GLN HA 1.0 1.8 3.0 122 71 X 4 GLY H X 3 GLN HBy 1.0 1.8 3.6 123 72 X 4 GLY H X 3 GLN HBx 1.0 1.8 3.0 124 73 X 2 ABA HBx X 3 GLN HGy 1.0 1.8 3.0 125 73 X 2 ABA HBx X 3 GLN HGx 1.0 1.8 3.0 126 74 X 4 GLY H X 3 GLN HGy 1.0 1.8 3.0 127 74 X 4 GLY H X 3 GLN HGx 1.0 1.8 3.0 128 75 X 3 GLN H X 4 GLY H 1.0 1.8 3.0 129 76 X 5 THR H X 4 GLY HAx 1.0 1.8 3.0 130 76 X 4 GLY HAy X 5 THR H 1.0 1.8 3.0 131 77 X 5 THR HG2% X 4 GLY HAx 1.0 1.8 3.6 132 77 X 5 THR HG2% X 4 GLY HAy 1.0 1.8 3.6 133 78 X 4 GLY HAy X 3 GLN HGy 1.0 1.8 4.2 134 78 X 4 GLY HAy X 3 GLN HGx 1.0 1.8 4.2 135 79 X 3 GLN HGy X 4 GLY HAx 1.0 1.8 3.6 136 79 X 3 GLN HGx X 4 GLY HAx 1.0 1.8 3.6 137 80 X 4 GLY H X 3 GLN HGy 1.0 1.8 3.0 138 80 X 4 GLY H X 3 GLN HGx 1.0 1.8 3.0 139 81 X 5 THR HG2% X 4 GLY H 1.0 1.8 3.0 140 82 X 4 GLY H X 3 GLN HA 1.0 1.8 3.0 141 83 X 4 GLY H X 3 GLN HBy 1.0 1.8 3.6 142 84 X 4 GLY H X 3 GLN HBx 1.0 1.8 3.0 143 85 X 3 GLN H X 4 GLY H 1.0 1.8 3.0 144 86 X 4 GLY H X 5 THR H 1.0 1.8 3.0 145 87 X 5 THR HA X 6 PHE HBx 1.0 1.8 4.9 146 87 X 5 THR HA X 6 PHE HBy 1.0 1.8 4.9 147 88 X 5 THR HA X 6 PHE H 1.0 1.8 3.0 148 89 X 5 THR HA X 6 PHE HA 1.0 1.8 4.4 149 90 X 6 PHE H X 5 THR HB 1.0 1.8 3.8 150 91 X 5 THR HG2% X 4 GLY H 1.0 1.8 3.0 151 92 X 6 PHE HD% X 5 THR HG2% 1.0 1.8 3.0 152 93 X 5 THR HG2% X 4 GLY HAx 1.0 1.8 3.6 153 93 X 5 THR HG2% X 4 GLY HAy 1.0 1.8 3.6 154 94 X 5 THR HG2% X 6 PHE HBx 1.0 1.8 4.0 155 94 X 5 THR HG2% X 6 PHE HBy 1.0 1.8 4.0 156 95 X 5 THR H X 4 GLY HAx 1.0 1.8 3.0 157 95 X 4 GLY HAy X 5 THR H 1.0 1.8 3.0 158 96 X 5 THR H X 4 GLY HAx 1.0 1.8 4.0 159 96 X 4 GLY HAy X 5 THR H 1.0 1.8 4.0 160 97 X 4 GLY H X 5 THR H 1.0 1.8 3.0 161 98 X 5 THR H X 6 PHE HA 1.0 1.8 5.2 162 99 X 6 PHE HD% X 5 THR H 1.0 1.8 4.0 163 100 X 5 THR HB X 6 PHE HBx 1.0 1.8 4.9 164 100 X 6 PHE HBy X 5 THR HB 1.0 1.8 4.9 165 101 X 5 THR H X 6 PHE HBx 1.0 1.8 4.6 166 101 X 5 THR H X 6 PHE HBy 1.0 1.8 4.6 167 102 X 7 THR H X 6 PHE HBy 1.0 1.8 3.6 168 103 X 7 THR H X 6 PHE HBx 1.0 1.8 3.0 169 104 X 5 THR HG2% X 6 PHE HBx 1.0 1.8 3.0 170 104 X 5 THR HG2% X 6 PHE HBy 1.0 1.8 3.0 171 105 X 5 THR HA X 6 PHE HBx 1.0 1.8 4.7 172 105 X 5 THR HA X 6 PHE HBy 1.0 1.8 4.7 173 106 X 7 THR HA X 6 PHE HBx 1.0 1.8 4.2 174 106 X 7 THR HA X 6 PHE HBy 1.0 1.8 4.2 175 107 X 5 THR HG2% X 6 PHE HBx 1.0 1.8 4.0 176 107 X 5 THR HG2% X 6 PHE HBy 1.0 1.8 4.0 177 108 X 6 PHE HD% X 7 THR HA 1.0 1.8 3.7 178 109 X 6 PHE HD% X 5 THR H 1.0 1.8 4.0 179 110 X 6 PHE HD% X 7 THR HB 1.0 1.8 3.0 180 111 X 6 PHE HD% X 5 THR HG2% 1.0 1.8 3.0 181 112 X 6 PHE HD% X 7 THR H 1.0 1.8 3.0 182 113 X 6 PHE HE% X 5 THR H 1.0 1.8 4.0 183 114 X 6 PHE HE% X 7 THR H 1.0 1.8 4.0 184 115 X 6 PHE HE% X 5 THR HG2% 1.0 1.8 3.0 185 116 X 6 PHE HE% X 7 THR HB 1.0 1.8 3.0 186 117 X 6 PHE H X 5 THR HB 1.0 1.8 3.8 187 118 X 7 THR H X 6 PHE H 1.0 1.8 3.0 188 119 X 7 THR HA X 8 SER H 1.0 1.8 3.0 189 120 X 6 PHE HD% X 7 THR HG2% 1.0 1.8 3.0 190 121 X 7 THR HG2% X 8 SER H 1.0 1.8 3.0 191 122 X 7 THR HG2% X 6 PHE HBx 1.0 1.8 4.0 192 122 X 7 THR HG2% X 6 PHE HBy 1.0 1.8 4.0 193 123 X 6 PHE HD% X 7 THR H 1.0 1.8 3.0 194 124 X 7 THR H X 6 PHE HBy 1.0 1.8 3.6 195 125 X 7 THR H X 6 PHE HBx 1.0 1.8 3.0 196 126 X 7 THR H X 6 PHE H 1.0 1.8 3.0 197 127 X 7 THR H X 8 SER H 1.0 1.8 3.0 198 128 X 7 THR H X 6 PHE HA 1.0 1.8 3.0 199 129 X 7 THR HG2% X 8 SER H 1.0 1.8 3.0 200 130 X 7 THR H X 8 SER H 1.0 1.8 3.0 201 131 X 9 ASP HA X 8 SER HBy 1.0 1.8 4.0 202 131 X 9 ASP HA X 8 SER HBx 1.0 1.8 4.0 203 132 X 10 TYR H X 9 ASP HBy 1.0 1.8 4.0 204 133 X 9 ASP HBx X 10 TYR H 1.0 1.8 4.0 205 134 X 8 SER HA X 9 ASP HBy 1.0 1.8 4.7 206 134 X 8 SER HA X 9 ASP HBx 1.0 1.8 4.7 207 135 X 8 SER HA X 9 ASP HBy 1.0 1.8 4.7 208 135 X 8 SER HA X 9 ASP HBx 1.0 1.8 4.7 209 136 X 8 SER HA X 9 ASP H 1.0 1.8 3.0 210 137 X 9 ASP H X 8 SER HBy 1.0 1.8 4.0 211 137 X 8 SER HBx X 9 ASP H 1.0 1.8 4.0 212 138 X 10 TYR H X 11 SER H 1.0 1.8 3.0 213 139 X 11 SER H X 12 LYS H 1.0 1.8 4.0 214 140 X 10 TYR H X 11 SER HBx 1.0 1.8 4.0 215 140 X 11 SER HBy X 10 TYR H 1.0 1.8 4.0 216 141 X 14 LEU HA X 13 LYS HBy 1.0 1.8 3.8 217 141 X 13 LYS HBx X 14 LEU HA 1.0 1.8 3.8 218 142 X 14 LEU HA X 13 LYS HBy 1.0 1.8 3.8 219 142 X 13 LYS HBx X 14 LEU HA 1.0 1.8 3.8 220 143 X 14 LEU HDy% X 15 ASP HBx 1.0 1.8 3.8 221 143 X 14 LEU HDx% X 15 ASP HBx 1.0 1.8 3.8 222 143 X 15 ASP HBy X 14 LEU HDx% 1.0 1.8 3.8 223 143 X 14 LEU HDy% X 15 ASP HBy 1.0 1.8 3.8 224 144 X 17 ARG H X 18 ARG HBy 1.0 1.8 5.3 225 144 X 18 ARG HBx X 17 ARG H 1.0 1.8 5.3 226 145 X 20 GLN HA X 21 ASP HBy 1.0 1.8 5.1 227 145 X 20 GLN HA X 21 ASP HBx 1.0 1.8 5.1 228 146 X 20 GLN H X 21 ASP HBy 1.0 1.8 3.0 229 146 X 20 GLN H X 21 ASP HBx 1.0 1.8 3.0 230 147 X 20 GLN H X 18 ARG HBy 1.0 1.8 3.0 231 147 X 18 ARG HBx X 20 GLN H 1.0 1.8 3.0 232 148 X 22 PHE HA X 21 ASP HBy 1.0 1.8 4.0 233 148 X 22 PHE HA X 21 ASP HBx 1.0 1.8 4.0 234 149 X 22 PHE HBy X 23 VAL HGy% 1.0 1.8 4.0 235 149 X 23 VAL HGx% X 22 PHE HBx 1.0 1.8 4.0 236 149 X 22 PHE HBy X 23 VAL HGx% 1.0 1.8 4.0 237 149 X 22 PHE HBx X 23 VAL HGy% 1.0 1.8 4.0 238 150 X 22 PHE HE% X 23 VAL HGx% 1.0 1.8 4.0 239 151 X 22 PHE HE% X 23 VAL HGy% 1.0 1.8 3.0 240 152 X 25 TRP HZ3 X 26 LEU HG 1.0 1.8 4.5 241 153 X 25 TRP HZ3 X 26 LEU HBx 1.0 1.8 3.0 242 153 X 25 TRP HZ3 X 26 LEU HBy 1.0 1.8 3.0 243 154 X 25 TRP HZ3 X 26 LEU HD1% 1.0 1.8 4.0 244 154 X 26 LEU HD2% X 25 TRP HZ3 1.0 1.8 4.0 245 155 X 26 LEU HD1% X 27 MET HBy 1.0 1.8 4.0 246 155 X 26 LEU HD2% X 27 MET HBy 1.0 1.8 4.0 247 155 X 27 MET HBx X 26 LEU HD1% 1.0 1.8 4.0 248 155 X 26 LEU HD2% X 27 MET HBx 1.0 1.8 4.0 249 156 X 6 PHE HE% X 6 PHE HA 1.0 1.8 6.0 250 157 X 1 HIS HA X 1 HIS HBy 1.0 1.8 3.0 251 157 X 1 HIS HBx X 1 HIS HA 1.0 1.8 3.0 252 158 X 1 HIS HBx X 1 HIS HBy 1.0 1.8 3.0 253 159 X 1 HIS HA X 1 HIS HBy 1.0 1.8 3.0 254 159 X 1 HIS HBx X 1 HIS HA 1.0 1.8 3.0 255 160 X 1 HIS HD2 X 1 HIS HBy 1.0 1.8 3.0 256 160 X 1 HIS HBx X 1 HIS HD2 1.0 1.8 3.0 257 160 X 1 HIS HBx X 1 HIS HD1 1.0 1.8 3.0 258 160 X 1 HIS HD1 X 1 HIS HBy 1.0 1.8 3.0 259 161 X 1 HIS HD1 X 1 HIS HBy 1.0 1.8 3.0 260 161 X 1 HIS HD2 X 1 HIS HBy 1.0 1.8 3.0 261 161 X 1 HIS HBx X 1 HIS HD2 1.0 1.8 3.0 262 161 X 1 HIS HBx X 1 HIS HD1 1.0 1.8 3.0 263 162 X 3 GLN HA X 3 GLN HBy 1.0 1.8 3.0 264 163 X 3 GLN HBx X 3 GLN HA 1.0 1.8 3.0 265 164 X 3 GLN HA X 3 GLN HGy 1.0 1.8 3.0 266 164 X 3 GLN HA X 3 GLN HGx 1.0 1.8 3.0 267 165 X 3 GLN H X 3 GLN HA 1.0 1.8 3.0 268 166 X 3 GLN HA X 3 GLN HBy 1.0 1.8 3.0 269 167 X 3 GLN HBx X 3 GLN HBy 1.0 1.8 3.0 270 168 X 3 GLN HGx X 3 GLN HBy 1.0 1.8 3.0 271 169 X 3 GLN H X 3 GLN HBy 1.0 1.8 3.5 272 170 X 3 GLN HBx X 3 GLN HA 1.0 1.8 3.0 273 171 X 3 GLN HBx X 3 GLN HBy 1.0 1.8 3.0 274 172 X 3 GLN HBx X 3 GLN HGx 1.0 1.8 3.0 275 173 X 3 GLN HA X 3 GLN HGy 1.0 1.8 3.0 276 173 X 3 GLN HA X 3 GLN HGx 1.0 1.8 3.0 277 174 X 3 GLN HGx X 3 GLN HBy 1.0 1.8 3.0 278 175 X 3 GLN HBx X 3 GLN HGx 1.0 1.8 3.0 279 176 X 3 GLN HGx X 3 GLN HGy 1.0 1.8 3.0 280 177 X 3 GLN H X 3 GLN HGy 1.0 1.8 3.0 281 177 X 3 GLN H X 3 GLN HGx 1.0 1.8 3.0 282 178 X 3 GLN HA X 3 GLN HE22 1.0 1.8 4.0 283 178 X 3 GLN HA X 3 GLN HE2x 1.0 1.8 4.0 284 179 X 3 GLN H X 3 GLN HBy 1.0 1.8 3.0 285 179 X 3 GLN H X 3 GLN HBx 1.0 1.8 3.0 286 180 X 3 GLN H X 3 GLN HBy 1.0 1.8 3.0 287 180 X 3 GLN H X 3 GLN HBx 1.0 1.8 3.0 288 181 X 3 GLN H X 3 GLN HA 1.0 1.8 3.0 289 182 X 3 GLN H X 3 GLN HBy 1.0 1.8 3.0 290 183 X 3 GLN H X 3 GLN HGy 1.0 1.8 3.0 291 183 X 3 GLN H X 3 GLN HGx 1.0 1.8 3.0 292 184 X 4 GLY HAy X 4 GLY HAx 1.0 1.8 3.0 293 185 X 4 GLY H X 4 GLY HAx 1.0 1.8 3.0 294 185 X 4 GLY HAy X 4 GLY H 1.0 1.8 3.0 295 186 X 4 GLY H X 4 GLY HAx 1.0 1.8 3.0 296 186 X 4 GLY HAy X 4 GLY H 1.0 1.8 3.0 297 187 X 4 GLY H X 4 GLY HAx 1.0 1.8 4.0 298 187 X 4 GLY HAy X 4 GLY H 1.0 1.8 4.0 299 188 X 5 THR HA X 5 THR HB 1.0 1.8 3.0 300 189 X 5 THR HG2% X 5 THR HA 1.0 1.8 3.0 301 190 X 5 THR H X 5 THR HA 1.0 1.8 3.0 302 191 X 5 THR HA X 5 THR HB 1.0 1.8 3.0 303 192 X 5 THR HG2% X 5 THR HB 1.0 1.8 3.0 304 193 X 5 THR HG2% X 5 THR HA 1.0 1.8 3.0 305 194 X 5 THR HG2% X 5 THR HB 1.0 1.8 3.0 306 195 X 5 THR HG2% X 5 THR H 1.0 1.8 3.0 307 196 X 5 THR H X 5 THR HB 1.0 1.8 3.0 308 197 X 5 THR H X 5 THR HB 1.0 1.8 3.0 309 198 X 5 THR H X 5 THR HA 1.0 1.8 3.0 310 199 X 5 THR HG2% X 5 THR H 1.0 1.8 3.0 311 200 X 6 PHE HA X 6 PHE HBx 1.0 1.8 3.0 312 200 X 6 PHE HBy X 6 PHE HA 1.0 1.8 3.0 313 201 X 6 PHE HBy X 6 PHE HBx 1.0 1.8 3.0 314 202 X 6 PHE HD% X 6 PHE HBy 1.0 1.8 3.0 315 203 X 6 PHE H X 6 PHE HBx 1.0 1.8 3.0 316 203 X 6 PHE HBy X 6 PHE H 1.0 1.8 3.0 317 204 X 6 PHE HA X 6 PHE HBx 1.0 1.8 3.0 318 204 X 6 PHE HBy X 6 PHE HA 1.0 1.8 3.0 319 205 X 6 PHE HBy X 6 PHE HBx 1.0 1.8 3.0 320 206 X 6 PHE HD% X 6 PHE HBx 1.0 1.8 3.0 321 207 X 6 PHE H X 6 PHE HBx 1.0 1.8 3.0 322 207 X 6 PHE HBy X 6 PHE H 1.0 1.8 3.0 323 208 X 6 PHE HD% X 6 PHE HBy 1.0 1.8 3.0 324 209 X 6 PHE HD% X 6 PHE HBx 1.0 1.8 3.0 325 210 X 6 PHE HD% X 6 PHE H 1.0 1.8 3.0 326 211 X 6 PHE HD% X 6 PHE HE% 1.0 1.8 3.0 327 212 X 6 PHE HE% X 6 PHE HBx 1.0 1.8 3.9 328 212 X 6 PHE HE% X 6 PHE HBy 1.0 1.8 3.9 329 213 X 6 PHE HE% X 6 PHE HBy 1.0 1.8 4.3 330 214 X 6 PHE HE% X 6 PHE HBx 1.0 1.8 4.5 331 215 X 6 PHE HD% X 6 PHE HA 1.0 1.8 3.6 332 216 X 6 PHE HE% X 6 PHE H 1.0 1.8 3.6 333 217 X 6 PHE H X 6 PHE HA 1.0 1.8 3.0 334 218 X 6 PHE HBy X 6 PHE H 1.0 1.8 3.0 335 219 X 6 PHE H X 6 PHE HBx 1.0 1.8 3.7 336 220 X 6 PHE HD% X 6 PHE H 1.0 1.8 3.0 337 221 X 7 THR HA X 7 THR HG2% 1.0 1.8 3.0 338 222 X 7 THR HB X 7 THR HG2% 1.0 1.8 3.0 339 223 X 7 THR HB X 7 THR H 1.0 1.8 3.0 340 224 X 7 THR HA X 7 THR HG2% 1.0 1.8 3.0 341 225 X 7 THR HB X 7 THR HG2% 1.0 1.8 3.0 342 226 X 7 THR HG2% X 7 THR H 1.0 1.8 3.0 343 227 X 7 THR HA X 7 THR H 1.0 1.8 3.0 344 228 X 7 THR HB X 7 THR H 1.0 1.8 3.0 345 229 X 7 THR HG2% X 7 THR H 1.0 1.8 3.0 346 230 X 7 THR HA X 7 THR H 1.0 1.8 4.0 347 231 X 8 SER H X 8 SER HBy 1.0 1.8 4.0 348 231 X 8 SER HBx X 8 SER H 1.0 1.8 4.0 349 232 X 8 SER H X 8 SER HBy 1.0 1.8 4.0 350 232 X 8 SER HBx X 8 SER H 1.0 1.8 4.0 351 233 X 8 SER HA X 8 SER HBy 1.0 1.8 3.0 352 233 X 8 SER HBx X 8 SER HA 1.0 1.8 3.0 353 234 X 8 SER HBx X 8 SER HBy 1.0 1.8 3.0 354 235 X 9 ASP HA X 9 ASP HBy 1.0 1.8 3.0 355 236 X 9 ASP HBx X 9 ASP HBy 1.0 1.8 3.0 356 237 X 9 ASP H X 9 ASP HBy 1.0 1.8 3.0 357 238 X 9 ASP HA X 9 ASP HBx 1.0 1.8 3.0 358 239 X 9 ASP HBx X 9 ASP HBy 1.0 1.8 3.0 359 240 X 9 ASP HBx X 9 ASP H 1.0 1.8 3.0 360 241 X 9 ASP HA X 9 ASP H 1.0 1.8 3.0 361 242 X 9 ASP H X 9 ASP HBy 1.0 1.8 3.0 362 243 X 9 ASP HBx X 9 ASP H 1.0 1.8 3.0 363 244 X 10 TYR HD% X 10 TYR HE% 1.0 1.8 3.0 364 245 X 10 TYR HD% X 10 TYR HE% 1.0 1.8 3.0 365 246 X 10 TYR H X 10 TYR HA 1.0 1.8 4.0 366 247 X 10 TYR HE% X 10 TYR HBx 1.0 1.8 4.0 367 247 X 10 TYR HE% X 10 TYR HBy 1.0 1.8 4.0 368 248 X 10 TYR HE% X 10 TYR HBx 1.0 1.8 4.0 369 248 X 10 TYR HE% X 10 TYR HBy 1.0 1.8 4.0 370 249 X 10 TYR HE% X 10 TYR H 1.0 1.8 5.3 371 250 X 10 TYR HE% X 10 TYR HBx 1.0 1.8 4.0 372 250 X 10 TYR HE% X 10 TYR HBy 1.0 1.8 4.0 373 251 X 10 TYR HD% X 10 TYR H 1.0 1.8 4.0 374 252 X 11 SER HA X 11 SER HBx 1.0 1.8 3.0 375 252 X 11 SER HBy X 11 SER HA 1.0 1.8 3.0 376 253 X 12 LYS H X 12 LYS HA 1.0 1.8 3.0 377 254 X 12 LYS HA X 12 LYS HBx 1.0 1.8 3.0 378 254 X 12 LYS HBy X 12 LYS HA 1.0 1.8 3.0 379 255 X 12 LYS HBy X 12 LYS HGy 1.0 1.8 3.0 380 255 X 12 LYS HBx X 12 LYS HGy 1.0 1.8 3.0 381 256 X 12 LYS HGx X 12 LYS HBx 1.0 1.8 3.0 382 256 X 12 LYS HGx X 12 LYS HBy 1.0 1.8 3.0 383 257 X 12 LYS HBx X 12 LYS HDy 1.0 1.8 3.0 384 257 X 12 LYS HBy X 12 LYS HDy 1.0 1.8 3.0 385 257 X 12 LYS HDx X 12 LYS HBx 1.0 1.8 3.0 386 257 X 12 LYS HBy X 12 LYS HDx 1.0 1.8 3.0 387 258 X 12 LYS HBx X 12 LYS HDy 1.0 1.8 3.0 388 258 X 12 LYS HBy X 12 LYS HDy 1.0 1.8 3.0 389 258 X 12 LYS HDx X 12 LYS HBx 1.0 1.8 3.0 390 258 X 12 LYS HBy X 12 LYS HDx 1.0 1.8 3.0 391 259 X 12 LYS HDx X 12 LYS HGy 1.0 1.8 3.0 392 259 X 12 LYS HDy X 12 LYS HGy 1.0 1.8 3.0 393 260 X 12 LYS HGx X 12 LYS HDy 1.0 1.8 3.0 394 260 X 12 LYS HGx X 12 LYS HDx 1.0 1.8 3.0 395 261 X 12 LYS HEy X 12 LYS HGy 1.0 1.8 3.0 396 261 X 12 LYS HEx X 12 LYS HGy 1.0 1.8 3.0 397 261 X 12 LYS HGx X 12 LYS HEx 1.0 1.8 3.0 398 261 X 12 LYS HGx X 12 LYS HEy 1.0 1.8 3.0 399 262 X 12 LYS HBy X 12 LYS HGy 1.0 1.8 3.0 400 262 X 12 LYS HBx X 12 LYS HGy 1.0 1.8 3.0 401 262 X 12 LYS HGx X 12 LYS HBx 1.0 1.8 3.0 402 262 X 12 LYS HGx X 12 LYS HBy 1.0 1.8 3.0 403 263 X 12 LYS HBy X 12 LYS HEx 1.0 1.8 3.6 404 263 X 12 LYS HBx X 12 LYS HEx 1.0 1.8 3.6 405 263 X 12 LYS HEy X 12 LYS HBx 1.0 1.8 3.6 406 263 X 12 LYS HBy X 12 LYS HEy 1.0 1.8 3.6 407 264 X 12 LYS HEy X 12 LYS HGy 1.0 1.8 3.0 408 264 X 12 LYS HEx X 12 LYS HGy 1.0 1.8 3.0 409 264 X 12 LYS HGx X 12 LYS HEx 1.0 1.8 3.0 410 264 X 12 LYS HGx X 12 LYS HEy 1.0 1.8 3.0 411 265 X 12 LYS HBy X 12 LYS HEx 1.0 1.8 5.0 412 265 X 12 LYS HBx X 12 LYS HEx 1.0 1.8 5.0 413 265 X 12 LYS HEy X 12 LYS HBx 1.0 1.8 5.0 414 265 X 12 LYS HBy X 12 LYS HEy 1.0 1.8 5.0 415 266 X 12 LYS H X 12 LYS HBx 1.0 1.8 3.0 416 266 X 12 LYS HBy X 12 LYS H 1.0 1.8 3.0 417 267 X 12 LYS HBy X 12 LYS HEx 1.0 1.8 4.0 418 267 X 12 LYS HBx X 12 LYS HEx 1.0 1.8 4.0 419 267 X 12 LYS HEy X 12 LYS HBx 1.0 1.8 4.0 420 267 X 12 LYS HBy X 12 LYS HEy 1.0 1.8 4.0 421 268 X 12 LYS HDy X 12 LYS HEx 1.0 1.8 4.0 422 268 X 12 LYS HEy X 12 LYS HDy 1.0 1.8 4.0 423 268 X 12 LYS HDx X 12 LYS HEy 1.0 1.8 4.0 424 268 X 12 LYS HDx X 12 LYS HEx 1.0 1.8 4.0 425 269 X 12 LYS HDx X 12 LYS HGy 1.0 1.8 4.0 426 269 X 12 LYS HDy X 12 LYS HGy 1.0 1.8 4.0 427 270 X 12 LYS HGx X 12 LYS HDy 1.0 1.8 4.0 428 270 X 12 LYS HGx X 12 LYS HDx 1.0 1.8 4.0 429 271 X 12 LYS HBy X 12 LYS HEx 1.0 1.8 4.0 430 271 X 12 LYS HBx X 12 LYS HEx 1.0 1.8 4.0 431 271 X 12 LYS HEy X 12 LYS HBx 1.0 1.8 4.0 432 271 X 12 LYS HBy X 12 LYS HEy 1.0 1.8 4.0 433 272 X 12 LYS H X 12 LYS HDy 1.0 1.8 4.7 434 273 X 12 LYS HDx X 12 LYS H 1.0 1.8 5.0 435 274 X 13 LYS HBy X 13 LYS HEx 1.0 1.8 4.0 436 274 X 13 LYS HBx X 13 LYS HEx 1.0 1.8 4.0 437 274 X 13 LYS HEy X 13 LYS HBy 1.0 1.8 4.0 438 274 X 13 LYS HBx X 13 LYS HEy 1.0 1.8 4.0 439 275 X 13 LYS HDy X 13 LYS HGx 1.0 1.8 3.0 440 275 X 13 LYS HGy X 13 LYS HDx 1.0 1.8 3.0 441 275 X 13 LYS HDy X 13 LYS HGy 1.0 1.8 3.0 442 275 X 13 LYS HDx X 13 LYS HGx 1.0 1.8 3.0 443 276 X 13 LYS HDy X 13 LYS HEx 1.0 1.8 3.0 444 276 X 13 LYS HEy X 13 LYS HDx 1.0 1.8 3.0 445 276 X 13 LYS HDy X 13 LYS HEy 1.0 1.8 3.0 446 276 X 13 LYS HDx X 13 LYS HEx 1.0 1.8 3.0 447 277 X 13 LYS HDy X 13 LYS HEx 1.0 1.8 3.0 448 277 X 13 LYS HEy X 13 LYS HDx 1.0 1.8 3.0 449 277 X 13 LYS HDy X 13 LYS HEy 1.0 1.8 3.0 450 277 X 13 LYS HDx X 13 LYS HEx 1.0 1.8 3.0 451 278 X 13 LYS HBx X 13 LYS HBy 1.0 1.8 4.0 452 279 X 13 LYS HZ% X 13 LYS HDx 1.0 1.8 3.0 453 279 X 13 LYS HDy X 13 LYS HZ% 1.0 1.8 3.0 454 280 X 13 LYS HZ% X 13 LYS HDx 1.0 1.8 3.0 455 280 X 13 LYS HDy X 13 LYS HZ% 1.0 1.8 3.0 456 281 X 13 LYS HBy X 13 LYS HEx 1.0 1.8 4.0 457 281 X 13 LYS HBx X 13 LYS HEx 1.0 1.8 4.0 458 281 X 13 LYS HEy X 13 LYS HBy 1.0 1.8 4.0 459 281 X 13 LYS HBx X 13 LYS HEy 1.0 1.8 4.0 460 282 X 13 LYS HBx X 13 LYS HDx 1.0 1.8 3.0 461 282 X 13 LYS HBy X 13 LYS HDx 1.0 1.8 3.0 462 282 X 13 LYS HDy X 13 LYS HBy 1.0 1.8 3.0 463 282 X 13 LYS HDy X 13 LYS HBx 1.0 1.8 3.0 464 283 X 14 LEU HA X 14 LEU HDx% 1.0 1.8 3.0 465 283 X 14 LEU HDy% X 14 LEU HA 1.0 1.8 3.0 466 284 X 14 LEU HA X 14 LEU H 1.0 1.8 3.0 467 285 X 14 LEU HA X 14 LEU H 1.0 1.8 3.0 468 286 X 14 LEU HA X 14 LEU HDx% 1.0 1.8 3.0 469 286 X 14 LEU HDy% X 14 LEU HA 1.0 1.8 3.0 470 287 X 14 LEU HBx X 14 LEU HDx% 1.0 1.8 3.0 471 287 X 14 LEU HBy X 14 LEU HDx% 1.0 1.8 3.0 472 287 X 14 LEU HDy% X 14 LEU HBx 1.0 1.8 3.0 473 287 X 14 LEU HDy% X 14 LEU HBy 1.0 1.8 3.0 474 288 X 14 LEU HBx X 14 LEU HDx% 1.0 1.8 3.0 475 288 X 14 LEU HBy X 14 LEU HDx% 1.0 1.8 3.0 476 288 X 14 LEU HDy% X 14 LEU HBx 1.0 1.8 3.0 477 288 X 14 LEU HDy% X 14 LEU HBy 1.0 1.8 3.0 478 289 X 14 LEU HG X 14 LEU HDx% 1.0 1.8 3.0 479 289 X 14 LEU HDy% X 14 LEU HG 1.0 1.8 3.0 480 290 X 14 LEU HA X 14 LEU HDx% 1.0 1.8 3.0 481 290 X 14 LEU HDy% X 14 LEU HA 1.0 1.8 3.0 482 291 X 14 LEU HBx X 14 LEU HDx% 1.0 1.8 3.0 483 291 X 14 LEU HBy X 14 LEU HDx% 1.0 1.8 3.0 484 291 X 14 LEU HDy% X 14 LEU HBx 1.0 1.8 3.0 485 291 X 14 LEU HDy% X 14 LEU HBy 1.0 1.8 3.0 486 292 X 14 LEU HG X 14 LEU HDx% 1.0 1.8 3.0 487 292 X 14 LEU HDy% X 14 LEU HG 1.0 1.8 3.0 488 293 X 14 LEU HA X 14 LEU HBx 1.0 1.8 4.0 489 293 X 14 LEU HA X 14 LEU HBy 1.0 1.8 4.0 490 294 X 15 ASP HA X 15 ASP HBx 1.0 1.8 4.0 491 294 X 15 ASP HA X 15 ASP HBy 1.0 1.8 4.0 492 295 X 17 ARG HGy X 17 ARG H 1.0 1.8 3.0 493 296 X 17 ARG HA X 17 ARG H 1.0 1.8 3.0 494 297 X 17 ARG HBx X 17 ARG HA 1.0 1.8 3.0 495 298 X 17 ARG HA X 17 ARG HBy 1.0 1.8 3.0 496 299 X 17 ARG HBy X 17 ARG HDx 1.0 1.8 3.6 497 300 X 17 ARG HBy X 17 ARG HGx 1.0 1.8 3.0 498 301 X 17 ARG HBx X 17 ARG HA 1.0 1.8 3.0 499 302 X 17 ARG HBx X 17 ARG HGy 1.0 1.8 3.0 500 303 X 17 ARG HBy X 17 ARG HDx 1.0 1.8 3.6 501 304 X 17 ARG HGy X 17 ARG HDx 1.0 1.8 3.0 502 305 X 17 ARG HDx X 17 ARG HGx 1.0 1.8 3.0 503 306 X 17 ARG HE X 17 ARG HH1% 1.0 1.8 3.0 504 306 X 17 ARG HE X 17 ARG HH2% 1.0 1.8 3.0 505 307 X 17 ARG HBx X 17 ARG HGy 1.0 1.8 3.0 506 308 X 17 ARG HGy X 17 ARG HDx 1.0 1.8 3.0 507 309 X 17 ARG HBx X 17 ARG HGx 1.0 1.8 3.0 508 310 X 17 ARG HDx X 17 ARG HGx 1.0 1.8 3.0 509 311 X 17 ARG HE X 17 ARG HH1% 1.0 1.8 3.0 510 311 X 17 ARG HE X 17 ARG HH2% 1.0 1.8 3.0 511 312 X 17 ARG HA X 17 ARG HBy 1.0 1.8 4.0 512 313 X 17 ARG HE X 17 ARG HBy 1.0 1.8 4.7 513 314 X 17 ARG HDy X 17 ARG HDx 1.0 1.8 4.0 514 315 X 17 ARG HDy X 17 ARG HBy 1.0 1.8 4.0 515 316 X 17 ARG HDy X 17 ARG HBx 1.0 1.8 4.0 516 317 X 17 ARG HDy X 17 ARG HGy 1.0 1.8 4.0 517 318 X 17 ARG HE X 17 ARG HDx 1.0 1.8 4.0 518 319 X 17 ARG HDx X 17 ARG HGx 1.0 1.8 4.0 519 320 X 17 ARG HE X 17 ARG HDx 1.0 1.8 4.0 520 321 X 18 ARG HDy X 18 ARG HBx 1.0 1.8 3.0 521 321 X 18 ARG HBx X 18 ARG HDx 1.0 1.8 3.0 522 322 X 18 ARG HGy X 18 ARG HBx 1.0 1.8 3.0 523 322 X 18 ARG HBx X 18 ARG HGx 1.0 1.8 3.0 524 323 X 18 ARG HBy X 18 ARG HDx 1.0 1.8 3.0 525 323 X 18 ARG HBx X 18 ARG HDx 1.0 1.8 3.0 526 323 X 18 ARG HDy X 18 ARG HBy 1.0 1.8 3.0 527 323 X 18 ARG HDy X 18 ARG HBx 1.0 1.8 3.0 528 324 X 18 ARG HE X 18 ARG HDx 1.0 1.8 3.0 529 324 X 18 ARG HDy X 18 ARG HE 1.0 1.8 3.0 530 325 X 18 ARG HDy X 18 ARG HGx 1.0 1.8 3.0 531 325 X 18 ARG HGy X 18 ARG HDx 1.0 1.8 3.0 532 325 X 18 ARG HGy X 18 ARG HDy 1.0 1.8 3.0 533 325 X 18 ARG HDx X 18 ARG HGx 1.0 1.8 3.0 534 326 X 18 ARG HDy X 18 ARG HH1% 1.0 1.8 3.0 535 326 X 18 ARG HDx X 18 ARG HH1% 1.0 1.8 3.0 536 326 X 18 ARG HH2% X 18 ARG HDx 1.0 1.8 3.0 537 326 X 18 ARG HDy X 18 ARG HH2% 1.0 1.8 3.0 538 327 X 18 ARG HE X 18 ARG HDx 1.0 1.8 3.0 539 327 X 18 ARG HDy X 18 ARG HE 1.0 1.8 3.0 540 328 X 18 ARG HE X 18 ARG HGx 1.0 1.8 3.0 541 328 X 18 ARG HGy X 18 ARG HE 1.0 1.8 3.0 542 329 X 18 ARG HE X 18 ARG HH1% 1.0 1.8 3.0 543 329 X 18 ARG HE X 18 ARG HH2% 1.0 1.8 3.0 544 330 X 18 ARG HBy X 18 ARG HGx 1.0 1.8 3.0 545 330 X 18 ARG HBx X 18 ARG HGx 1.0 1.8 3.0 546 330 X 18 ARG HGy X 18 ARG HBy 1.0 1.8 3.0 547 330 X 18 ARG HGy X 18 ARG HBx 1.0 1.8 3.0 548 331 X 18 ARG HDy X 18 ARG HGx 1.0 1.8 3.0 549 331 X 18 ARG HGy X 18 ARG HDx 1.0 1.8 3.0 550 331 X 18 ARG HGy X 18 ARG HDy 1.0 1.8 3.0 551 331 X 18 ARG HDx X 18 ARG HGx 1.0 1.8 3.0 552 332 X 18 ARG HE X 18 ARG HGx 1.0 1.8 3.0 553 332 X 18 ARG HGy X 18 ARG HE 1.0 1.8 3.0 554 333 X 18 ARG HE X 18 ARG HH1% 1.0 1.8 3.0 555 333 X 18 ARG HE X 18 ARG HH2% 1.0 1.8 3.0 556 334 X 18 ARG H X 18 ARG HBy 1.0 1.8 3.0 557 334 X 18 ARG HBx X 18 ARG H 1.0 1.8 3.0 558 335 X 18 ARG HBx X 18 ARG HE 1.0 1.8 3.0 559 336 X 19 ALA HB% X 19 ALA H 1.0 1.8 4.0 560 337 X 20 GLN HA X 20 GLN HBy 1.0 1.8 3.0 561 338 X 20 GLN HBx X 20 GLN HA 1.0 1.8 3.0 562 339 X 20 GLN HA X 20 GLN HGx 1.0 1.8 3.0 563 339 X 20 GLN HA X 20 GLN HGy 1.0 1.8 3.0 564 340 X 20 GLN HBx X 20 GLN HBy 1.0 1.8 3.0 565 341 X 20 GLN HGy X 20 GLN HBy 1.0 1.8 3.0 566 341 X 20 GLN HBy X 20 GLN HGx 1.0 1.8 3.0 567 342 X 20 GLN HBx X 20 GLN H 1.0 1.8 4.0 568 343 X 21 ASP HA X 21 ASP HBy 1.0 1.8 3.0 569 344 X 21 ASP HA X 21 ASP HBx 1.0 1.8 3.0 570 345 X 21 ASP HA X 21 ASP HBy 1.0 1.8 3.0 571 346 X 21 ASP HA X 21 ASP HBx 1.0 1.8 3.0 572 347 X 21 ASP HBx X 21 ASP HBy 1.0 1.8 3.0 573 348 X 21 ASP H X 21 ASP HBy 1.0 1.8 3.0 574 348 X 21 ASP HBx X 21 ASP H 1.0 1.8 3.0 575 349 X 21 ASP H X 21 ASP HBy 1.0 1.8 3.0 576 349 X 21 ASP HBx X 21 ASP H 1.0 1.8 3.0 577 350 X 22 PHE HA X 22 PHE HBx 1.0 1.8 3.0 578 350 X 22 PHE HA X 22 PHE HBy 1.0 1.8 3.0 579 351 X 22 PHE HA X 22 PHE HBx 1.0 1.8 4.0 580 351 X 22 PHE HA X 22 PHE HBy 1.0 1.8 4.0 581 352 X 22 PHE H X 22 PHE HBx 1.0 1.8 4.0 582 352 X 22 PHE HBy X 22 PHE H 1.0 1.8 4.0 583 353 X 24 GLN HBy X 24 GLN HBx 1.0 1.8 3.0 584 354 X 24 GLN HBy X 24 GLN HGy 1.0 1.8 3.0 585 355 X 24 GLN HBy X 24 GLN HGy 1.0 1.8 3.0 586 356 X 24 GLN HBy X 24 GLN HBx 1.0 1.8 3.0 587 357 X 24 GLN HBy X 24 GLN HBx 1.0 1.8 3.0 588 358 X 24 GLN HBy X 24 GLN HGy 1.0 1.8 3.0 589 359 X 24 GLN HBy X 24 GLN HGy 1.0 1.8 3.0 590 360 X 24 GLN HBy X 24 GLN HBx 1.0 1.8 3.0 591 361 X 24 GLN HA X 24 GLN HGx 1.0 1.8 4.0 592 362 X 25 TRP HZ2 X 25 TRP HE1 1.0 1.8 4.0 593 363 X 26 LEU HG X 26 LEU HD1% 1.0 1.8 3.0 594 363 X 26 LEU HD2% X 26 LEU HG 1.0 1.8 3.0 595 364 X 26 LEU HBx X 26 LEU HD1% 1.0 1.8 4.0 596 364 X 26 LEU HBy X 26 LEU HD1% 1.0 1.8 4.0 597 364 X 26 LEU HD2% X 26 LEU HBx 1.0 1.8 4.0 598 364 X 26 LEU HD2% X 26 LEU HBy 1.0 1.8 4.0 599 365 X 26 LEU HA X 26 LEU HBx 1.0 1.8 4.0 600 365 X 26 LEU HBy X 26 LEU HA 1.0 1.8 4.0 601 366 X 26 LEU HBx X 26 LEU HD1% 1.0 1.8 4.0 602 366 X 26 LEU HBy X 26 LEU HD1% 1.0 1.8 4.0 603 366 X 26 LEU HD2% X 26 LEU HBx 1.0 1.8 4.0 604 366 X 26 LEU HD2% X 26 LEU HBy 1.0 1.8 4.0 605 367 X 27 MET HBy X 27 MET HGx 1.0 1.8 3.0 606 367 X 27 MET HBx X 27 MET HGx 1.0 1.8 3.0 607 367 X 27 MET HGy X 27 MET HBy 1.0 1.8 3.0 608 367 X 27 MET HBx X 27 MET HGy 1.0 1.8 3.0 609 368 X 27 MET HGy X 27 MET HBy 1.0 1.8 4.0 610 368 X 27 MET HBy X 27 MET HGx 1.0 1.8 4.0 611 369 X 27 MET HBx X 27 MET HGy 1.0 1.8 4.0 612 369 X 27 MET HBx X 27 MET HGx 1.0 1.8 4.0 613 370 X 29 THR H X 29 THR HA 1.0 1.8 5.0 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 hbond _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 X 4 GLY O X 8 SER N 1.0 2.5 3.5 2 2 X 8 SER H X 4 GLY O 1.0 1.5 2.5 3 3 X 7 THR O X 11 SER N 1.0 2.5 3.5 4 4 X 11 SER H X 7 THR O 1.0 1.5 2.5 5 5 X 8 SER O X 12 LYS N 1.0 2.5 3.5 6 6 X 12 LYS H X 8 SER O 1.0 1.5 2.5 7 7 X 9 ASP O X 13 LYS N 1.0 2.5 3.5 8 8 X 13 LYS H X 9 ASP O 1.0 1.5 2.5 9 9 X 21 ASP O X 25 TRP N 1.0 2.5 3.5 10 10 X 25 TRP H X 21 ASP O 1.0 1.5 2.5 11 11 X 24 GLN O X 28 ASN N 1.0 2.5 3.5 12 12 X 24 GLN O X 28 ASN H 1.0 1.5 2.5 stop_ save_