data_nef_c25699_2n58 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 2IW1 PDB 2N58 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 TYR start . . 2 A 2 ALA middle . . 3 A 3 GLU middle . . 4 A 4 LYS middle . . 5 A 5 VAL middle . . 6 A 6 ALA middle . . 7 A 7 GLN middle . . 8 A 8 GLU middle . . 9 A 9 LYS middle . . 10 A 10 GLY middle . false 11 A 11 PHE middle . . 12 A 12 LEU middle . . 13 A 13 TYR middle . . 14 A 14 ARG middle . . 15 A 15 LEU middle . . 16 A 16 THR middle . . 17 A 17 SER middle . . 18 A 18 ARG middle . . 19 A 19 TYR middle . . 20 A 20 ARG middle . . 21 A 21 HIS middle . . 22 A 22 TYR middle . . 23 A 23 ALA middle . . 24 A 24 ALA middle . . 25 A 25 PHE middle . . 26 A 26 GLU middle . . 27 A 27 ARG middle . . 28 A 28 ALA middle . . 29 A 29 THR middle . . 30 A 30 PHE 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 1 TYR HA H 1 4.018 0.009 A 1 TYR HBx H 1 2.963 0.001 A 1 TYR HBy H 1 2.963 0.001 A 1 TYR HDx H 1 6.987 0.004 A 1 TYR HDy H 1 6.987 0.004 A 1 TYR HEx H 1 6.713 0.001 A 1 TYR HEy H 1 6.713 0.001 A 1 TYR CA C 13 57.628 0.000 A 1 TYR CB C 13 43.194 0.000 A 1 TYR CDy C 13 133.505 0.000 A 1 TYR CEy C 13 118.612 0.000 A 2 ALA H H 1 8.067 0.000 A 2 ALA HA H 1 4.079 0.003 A 2 ALA HB% H 1 1.098 0.001 A 2 ALA CA C 13 52.826 0.000 A 2 ALA CB C 13 21.988 0.000 A 3 GLU H H 1 8.592 0.006 A 3 GLU HA H 1 4.032 0.005 A 3 GLU HBy H 1 1.881 0.001 A 3 GLU HBx H 1 1.831 0.002 A 3 GLU HGx H 1 2.186 0.005 A 3 GLU HGy H 1 2.186 0.005 A 3 GLU CB C 13 29.563 0.006 A 3 GLU CG C 13 36.156 0.000 A 4 LYS H H 1 8.205 0.000 A 4 LYS HA H 1 4.130 0.004 A 4 LYS HBy H 1 1.682 0.007 A 4 LYS HBx H 1 1.631 0.002 A 4 LYS HDx H 1 1.527 0.007 A 4 LYS HDy H 1 1.527 0.007 A 4 LYS HEx H 1 2.832 0.002 A 4 LYS HEy H 1 2.832 0.002 A 4 LYS HGy H 1 1.310 0.004 A 4 LYS HGx H 1 1.264 0.009 A 4 LYS CA C 13 56.839 0.000 A 4 LYS CB C 13 32.806 0.001 A 4 LYS CD C 13 29.057 0.000 A 4 LYS CE C 13 42.128 0.000 A 4 LYS CG C 13 24.961 0.006 A 5 VAL H H 1 7.807 0.004 A 5 VAL HA H 1 3.868 0.003 A 5 VAL HB H 1 1.946 0.007 A 5 VAL HGx% H 1 0.785 0.006 A 5 VAL HGy% H 1 0.785 0.006 A 5 VAL CA C 13 62.947 0.000 A 5 VAL CB C 13 32.536 0.000 A 6 ALA H H 1 8.101 0.000 A 6 ALA HA H 1 4.078 0.004 A 6 ALA HB% H 1 1.241 0.011 A 6 ALA CA C 13 53.076 0.000 A 6 ALA CB C 13 19.007 0.000 A 7 GLN H H 1 8.065 0.000 A 7 GLN HA H 1 4.072 0.000 A 7 GLN HBy H 1 1.935 0.004 A 7 GLN HBx H 1 1.855 0.006 A 7 GLN HE2y H 1 7.412 0.000 A 7 GLN HE2x H 1 6.745 0.002 A 7 GLN HGx H 1 2.216 0.006 A 7 GLN HGy H 1 2.216 0.006 A 7 GLN CB C 13 29.413 0.027 A 7 GLN CG C 13 33.896 0.000 A 8 GLU H H 1 8.182 0.001 A 8 GLU HA H 1 4.080 0.000 A 8 GLU HBx H 1 1.751 0.002 A 8 GLU HBy H 1 1.751 0.002 A 8 GLU HGx H 1 2.087 0.003 A 8 GLU HGy H 1 2.087 0.003 A 8 GLU CA C 13 56.439 0.000 A 8 GLU CB C 13 29.553 0.000 A 9 LYS H H 1 8.048 0.003 A 9 LYS HA H 1 4.007 0.003 A 9 LYS HBx H 1 1.574 0.004 A 9 LYS HBy H 1 1.574 0.004 A 9 LYS HDy H 1 1.322 0.002 A 9 LYS HDx H 1 1.275 0.003 A 9 LYS HEx H 1 2.678 0.002 A 9 LYS HEy H 1 2.678 0.002 A 9 LYS HGy H 1 1.159 0.001 A 9 LYS HGx H 1 1.042 0.006 A 9 LYS CA C 13 57.773 0.000 A 9 LYS CB C 13 32.979 0.000 A 9 LYS CD C 13 29.014 0.008 A 9 LYS CE C 13 42.074 0.000 A 9 LYS CG C 13 24.968 0.009 A 10 GLY H H 1 8.305 0.001 A 10 GLY HAx H 1 4.012 0.003 A 10 GLY HAy H 1 4.012 0.003 A 10 GLY CA C 13 45.562 0.000 A 11 PHE H H 1 8.761 0.007 A 11 PHE HA H 1 4.084 0.003 A 11 PHE HBy H 1 3.226 0.003 A 11 PHE HBx H 1 2.945 0.004 A 11 PHE HDx H 1 7.131 0.001 A 11 PHE HDy H 1 7.131 0.001 A 11 PHE HEx H 1 7.059 0.006 A 11 PHE HEy H 1 7.059 0.006 A 11 PHE CB C 13 39.831 0.020 A 11 PHE CEx C 13 129.197 0.000 A 11 PHE CEy C 13 129.502 0.000 A 12 LEU H H 1 8.728 0.001 A 12 LEU HA H 1 3.776 0.002 A 12 LEU HBy H 1 1.621 0.000 A 12 LEU HBx H 1 1.434 0.001 A 12 LEU HDx% H 1 0.816 0.000 A 12 LEU HDy% H 1 0.771 0.006 A 12 LEU HG H 1 1.625 0.002 A 12 LEU CA C 13 58.112 0.000 A 12 LEU CB C 13 41.197 0.013 A 12 LEU CG C 13 27.176 0.000 A 13 TYR H H 1 8.199 0.001 A 13 TYR HA H 1 4.042 0.002 A 13 TYR HBx H 1 2.952 0.003 A 13 TYR HBy H 1 2.952 0.003 A 13 TYR HDx H 1 6.905 0.004 A 13 TYR HDy H 1 6.905 0.004 A 13 TYR HEx H 1 6.684 0.002 A 13 TYR HEy H 1 6.684 0.002 A 13 TYR CA C 13 61.091 0.000 A 13 TYR CB C 13 37.856 0.000 A 13 TYR CDy C 13 133.109 0.000 A 13 TYR CEy C 13 118.259 0.000 A 14 ARG H H 1 8.047 0.000 A 14 ARG HA H 1 3.774 0.006 A 14 ARG HBy H 1 1.789 0.006 A 14 ARG HBx H 1 1.737 0.007 A 14 ARG HDy H 1 3.132 0.005 A 14 ARG HDx H 1 3.071 0.004 A 14 ARG HE H 1 7.367 0.002 A 14 ARG HGx H 1 1.490 0.002 A 14 ARG HGy H 1 1.490 0.002 A 14 ARG CA C 13 59.719 0.000 A 14 ARG CD C 13 43.793 0.002 A 15 LEU H H 1 8.048 0.000 A 15 LEU HA H 1 3.867 0.001 A 15 LEU HBx H 1 1.455 0.000 A 15 LEU HBy H 1 1.455 0.000 A 15 LEU HDx% H 1 0.698 0.001 A 15 LEU HDy% H 1 0.698 0.001 A 15 LEU HG H 1 1.455 0.000 A 15 LEU CA C 13 58.118 0.000 A 15 LEU CB C 13 42.299 0.000 A 15 LEU CG C 13 26.939 0.000 A 16 THR H H 1 7.825 0.000 A 16 THR HA H 1 4.079 0.005 A 16 THR HB H 1 3.768 0.003 A 16 THR HG2% H 1 1.099 0.000 A 16 THR CA C 13 61.604 0.000 A 16 THR CB C 13 66.014 0.000 A 17 SER H H 1 7.824 0.000 A 17 SER HA H 1 3.925 0.002 A 17 SER HBy H 1 3.655 0.002 A 17 SER HBx H 1 3.577 0.002 A 17 SER CA C 13 61.613 0.000 A 17 SER CB C 13 62.836 0.001 A 18 ARG H H 1 7.580 0.002 A 18 ARG HA H 1 3.997 0.004 A 18 ARG HBy H 1 1.722 0.001 A 18 ARG HBx H 1 1.602 0.004 A 18 ARG HDx H 1 2.964 0.003 A 18 ARG HDy H 1 2.964 0.003 A 18 ARG HE H 1 7.319 0.002 A 18 ARG HGy H 1 1.421 0.007 A 18 ARG HGx H 1 1.303 0.001 A 18 ARG CA C 13 58.150 0.000 A 18 ARG CB C 13 30.066 0.000 A 18 ARG CD C 13 39.049 0.000 A 18 ARG CG C 13 27.228 0.000 A 19 TYR H H 1 7.816 0.002 A 19 TYR HA H 1 4.258 0.002 A 19 TYR HBy H 1 3.111 0.002 A 19 TYR HBx H 1 2.715 0.001 A 19 TYR HDx H 1 6.830 0.003 A 19 TYR HDy H 1 6.830 0.003 A 19 TYR HEx H 1 6.614 0.001 A 19 TYR HEy H 1 6.614 0.001 A 19 TYR CA C 13 60.497 0.000 A 19 TYR CDx C 13 132.772 0.000 A 19 TYR CEx C 13 118.081 0.000 A 20 ARG H H 1 7.864 0.002 A 20 ARG HA H 1 3.718 0.002 A 20 ARG HBy H 1 1.719 0.003 A 20 ARG HBx H 1 1.659 0.003 A 20 ARG HDx H 1 2.973 0.005 A 20 ARG HDy H 1 2.973 0.005 A 20 ARG HE H 1 7.339 0.000 A 20 ARG HGx H 1 1.477 0.005 A 20 ARG HGy H 1 1.477 0.005 A 20 ARG CA C 13 58.939 0.000 A 20 ARG CB C 13 30.009 0.039 A 20 ARG CD C 13 43.361 0.000 A 20 ARG CG C 13 27.252 0.000 A 21 HIS H H 1 7.900 0.003 A 21 HIS HA H 1 4.346 0.002 A 21 HIS HBy H 1 3.085 0.003 A 21 HIS HBx H 1 3.005 0.005 A 21 HIS HD2 H 1 6.774 0.001 A 21 HIS HE1 H 1 6.917 0.000 A 21 HIS CA C 13 57.378 0.000 A 21 HIS CB C 13 28.660 0.014 A 21 HIS CD2 C 13 119.926 0.000 A 22 TYR H H 1 7.680 0.004 A 22 TYR HA H 1 4.191 0.002 A 22 TYR HBy H 1 3.039 0.003 A 22 TYR HBx H 1 2.881 0.006 A 22 TYR HDx H 1 6.924 0.002 A 22 TYR HDy H 1 6.924 0.002 A 22 TYR HEx H 1 6.687 0.004 A 22 TYR HEy H 1 6.687 0.004 A 22 TYR CA C 13 59.853 0.000 A 22 TYR CDx C 13 132.833 0.000 A 22 TYR CEx C 13 118.259 0.000 A 23 ALA H H 1 8.030 0.002 A 23 ALA HA H 1 3.880 0.005 A 23 ALA HB% H 1 1.061 0.003 A 23 ALA CA C 13 53.293 0.000 A 23 ALA CB C 13 18.596 0.000 A 24 ALA H H 1 7.390 0.002 A 24 ALA HA H 1 4.025 0.001 A 24 ALA HB% H 1 1.113 0.003 A 24 ALA CA C 13 52.985 0.000 A 24 ALA CB C 13 18.873 0.000 A 25 PHE H H 1 7.694 0.002 A 25 PHE HA H 1 4.368 0.002 A 25 PHE HBy H 1 3.059 0.004 A 25 PHE HBx H 1 2.894 0.002 A 25 PHE HDx H 1 7.120 0.006 A 25 PHE HDy H 1 7.120 0.006 A 25 PHE HEx H 1 7.120 0.006 A 25 PHE HEy H 1 7.120 0.006 A 25 PHE HZ H 1 7.120 0.006 A 25 PHE CA C 13 58.247 0.000 A 25 PHE CB C 13 39.360 0.002 A 26 GLU H H 1 8.068 0.000 A 26 GLU HA H 1 4.066 0.001 A 26 GLU HBy H 1 1.907 0.003 A 26 GLU HBx H 1 1.812 0.003 A 26 GLU HGx H 1 2.099 0.004 A 26 GLU HGy H 1 2.099 0.004 A 26 GLU CA C 13 57.011 0.000 A 26 GLU CB C 13 30.081 0.007 A 26 GLU CG C 13 35.686 0.000 A 27 ARG H H 1 7.976 0.001 A 27 ARG HA H 1 4.095 0.000 A 27 ARG HBy H 1 1.724 0.001 A 27 ARG HBx H 1 1.595 0.000 A 27 ARG HDx H 1 3.031 0.004 A 27 ARG HDy H 1 3.031 0.004 A 27 ARG HE H 1 7.233 0.001 A 27 ARG HGy H 1 1.481 0.002 A 27 ARG HGx H 1 1.217 0.000 A 27 ARG CA C 13 56.260 0.000 A 27 ARG CB C 13 30.799 0.010 A 27 ARG CD C 13 43.442 0.000 A 27 ARG CG C 13 27.252 0.000 A 28 ALA H H 1 8.012 0.001 A 28 ALA HA H 1 4.171 0.004 A 28 ALA HB% H 1 1.215 0.005 A 28 ALA CA C 13 52.581 0.000 A 28 ALA CB C 13 19.382 0.000 A 29 THR H H 1 7.723 0.002 A 29 THR HA H 1 4.112 0.003 A 29 THR HB H 1 3.995 0.004 A 29 THR HG2% H 1 0.949 0.001 A 29 THR CA C 13 61.661 0.000 A 29 THR CB C 13 70.032 0.000 A 29 THR CG2 C 13 21.441 0.000 A 30 PHE H H 1 7.600 0.003 A 30 PHE HA H 1 4.280 0.001 A 30 PHE HBy H 1 3.013 0.004 A 30 PHE HBx H 1 2.822 0.002 A 30 PHE HDx H 1 7.108 0.004 A 30 PHE HDy H 1 7.108 0.004 A 30 PHE HEx H 1 7.127 0.001 A 30 PHE HEy H 1 7.127 0.001 A 30 PHE CA C 13 59.147 0.000 A 30 PHE CB C 13 40.334 0.000 A 30 PHE CEx C 13 131.957 0.000 A 30 PHE CEy C 13 132.065 0.000 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 16 THR HB A 17 SER H 1.0 . 3.91 2 2 A 16 THR H A 16 THR HG2% 1.0 . 4.68 3 3 A 17 SER H A 16 THR HG2% 1.0 . 5.23 4 4 A 4 LYS H A 4 LYS HGx 1.0 . 4.86 5 5 A 4 LYS H A 6 ALA HB% 1.0 . 5.56 6 6 A 26 GLU H A 26 GLU HBx 1.0 . 3.59 7 7 A 21 HIS HA A 23 ALA H 1.0 . 4.97 8 8 A 25 PHE HA A 28 ALA H 1.0 . 5.30 9 9 A 19 TYR HE% A 20 ARG HDx 1.0 . 5.56 10 9 A 19 TYR HE% A 20 ARG HDy 1.0 . 5.56 11 10 A 15 LEU HA A 19 TYR HD% 1.0 . 4.59 12 11 A 19 TYR HE% A 15 LEU HA 1.0 . 4.99 13 12 A 19 TYR HE% A 23 ALA HA 1.0 . 5.76 14 13 A 19 TYR HE% A 19 TYR HA 1.0 . 5.03 15 14 A 13 TYR HA A 13 TYR HE% 1.0 . 4.93 16 15 A 22 TYR HD% A 23 ALA HB% 1.0 . 5.37 17 16 A 16 THR HG2% A 13 TYR HD% 1.0 . 4.45 18 17 A 16 THR HG2% A 13 TYR HE% 1.0 . 4.48 19 18 A 14 ARG H A 13 TYR HBx 1.0 . 3.72 20 18 A 13 TYR HBy A 14 ARG H 1.0 . 3.72 21 19 A 8 GLU H A 7 GLN HBx 1.0 . 4.36 22 20 A 8 GLU H A 7 GLN HBy 1.0 . 4.36 23 21 A 19 TYR H A 18 ARG HBy 1.0 . 4.22 24 22 A 17 SER H A 20 ARG HGx 1.0 . 5.43 25 22 A 17 SER H A 20 ARG HGy 1.0 . 5.43 26 23 A 19 TYR H A 20 ARG HGx 1.0 . 5.69 27 23 A 19 TYR H A 20 ARG HGy 1.0 . 5.69 28 24 A 8 GLU H A 7 GLN H 1.0 . 3.24 29 25 A 8 GLU HA A 8 GLU HGx 1.0 . 3.68 30 25 A 8 GLU HA A 8 GLU HGy 1.0 . 3.68 31 26 A 26 GLU HA A 26 GLU HGx 1.0 . 3.98 32 26 A 26 GLU HA A 26 GLU HGy 1.0 . 3.98 33 27 A 12 LEU HA A 12 LEU HG 1.0 . 4.00 34 28 A 16 THR HG2% A 16 THR HA 1.0 . 3.69 35 29 A 2 ALA H A 5 VAL HGx% 1.0 . 5.20 36 29 A 2 ALA H A 5 VAL HGy% 1.0 . 5.20 37 30 A 7 GLN H A 5 VAL HGx% 1.0 . 5.50 38 30 A 7 GLN H A 5 VAL HGy% 1.0 . 5.50 39 31 A 27 ARG HA A 27 ARG HDx 1.0 . 4.00 40 31 A 27 ARG HA A 27 ARG HDy 1.0 . 4.00 41 32 A 15 LEU HBx A 15 LEU HDx% 1.0 . 3.66 42 32 A 15 LEU HBy A 15 LEU HDx% 1.0 . 3.66 43 32 A 15 LEU HDy% A 15 LEU HBx 1.0 . 3.66 44 32 A 15 LEU HBy A 15 LEU HDy% 1.0 . 3.66 45 33 A 12 LEU HA A 12 LEU HDx% 1.0 . 4.10 46 34 A 12 LEU HBx A 12 LEU HDx% 1.0 . 3.66 47 35 A 12 LEU HBx A 12 LEU HDy% 1.0 . 3.66 48 36 A 18 ARG HDy A 18 ARG HBy 1.0 . 3.94 49 36 A 18 ARG HBy A 18 ARG HDx 1.0 . 3.94 50 37 A 23 ALA HA A 25 PHE HE% 1.0 . 6.00 51 37 A 23 ALA HA A 25 PHE HD% 1.0 . 6.00 52 38 A 23 ALA HA A 30 PHE HE% 1.0 . 6.00 53 39 A 23 ALA HB% A 25 PHE HE% 1.0 . 5.51 54 39 A 23 ALA HB% A 25 PHE HD% 1.0 . 5.51 55 40 A 11 PHE HD% A 15 LEU HG 1.0 . 4.66 56 41 A 13 TYR HD% A 8 GLU HBx 1.0 . 6.00 57 41 A 13 TYR HD% A 8 GLU HBy 1.0 . 6.00 58 42 A 25 PHE HE% A 26 GLU HGx 1.0 . 6.00 59 42 A 25 PHE HD% A 26 GLU HGx 1.0 . 6.00 60 42 A 26 GLU HGy A 25 PHE HE% 1.0 . 6.00 61 42 A 26 GLU HGy A 25 PHE HD% 1.0 . 6.00 62 43 A 30 PHE HE% A 26 GLU HGx 1.0 . 6.00 63 43 A 26 GLU HGy A 30 PHE HE% 1.0 . 6.00 64 44 A 15 LEU HG A 11 PHE HE% 1.0 . 4.85 65 45 A 14 ARG HA A 13 TYR HBx 1.0 . 5.99 66 45 A 13 TYR HBy A 14 ARG HA 1.0 . 5.99 67 46 A 16 THR HB A 18 ARG HDx 1.0 . 5.57 68 46 A 16 THR HB A 18 ARG HDy 1.0 . 5.57 69 47 A 6 ALA HB% A 13 TYR HE% 1.0 . 5.16 70 48 A 22 TYR HE% A 18 ARG HGx 1.0 . 4.75 71 49 A 4 LYS H A 5 VAL HGx% 1.0 . 4.72 72 49 A 4 LYS H A 5 VAL HGy% 1.0 . 4.72 73 50 A 8 GLU H A 5 VAL HGx% 1.0 . 5.40 74 50 A 8 GLU H A 5 VAL HGy% 1.0 . 5.40 75 51 A 9 LYS H A 8 GLU HBx 1.0 . 3.68 76 51 A 8 GLU HBy A 9 LYS H 1.0 . 3.68 77 52 A 12 LEU HBy A 13 TYR H 1.0 . 4.17 78 53 A 17 SER H A 18 ARG H 1.0 . 3.65 79 54 A 19 TYR H A 18 ARG H 1.0 . 4.01 80 55 A 16 THR HB A 17 SER HBx 1.0 . 4.55 81 56 A 16 THR HB A 17 SER HBy 1.0 . 4.55 82 57 A 15 LEU H A 15 LEU HBx 1.0 . 3.44 83 57 A 15 LEU HBy A 15 LEU H 1.0 . 3.44 84 58 A 15 LEU HG A 15 LEU H 1.0 . 3.65 85 59 A 19 TYR HE% A 20 ARG HGx 1.0 . 4.71 86 59 A 19 TYR HE% A 20 ARG HGy 1.0 . 4.71 87 60 A 24 ALA HA A 25 PHE HE% 1.0 . 4.94 88 60 A 25 PHE HD% A 24 ALA HA 1.0 . 4.94 89 61 A 13 TYR HE% A 5 VAL HA 1.0 . 5.34 90 62 A 30 PHE HE% A 26 GLU HBy 1.0 . 4.92 91 63 A 23 ALA HB% A 22 TYR H 1.0 . 4.88 92 64 A 23 ALA HB% A 25 PHE H 1.0 . 5.27 93 65 A 16 THR H A 15 LEU HBx 1.0 . 4.57 94 65 A 16 THR H A 15 LEU HBy 1.0 . 4.57 95 66 A 2 ALA HB% A 1 TYR HBx 1.0 . 4.84 96 66 A 1 TYR HBy A 2 ALA HB% 1.0 . 4.84 97 67 A 28 ALA HB% A 30 PHE HD% 1.0 . 4.75 98 68 A 12 LEU HG A 12 LEU H 1.0 . 4.25 99 69 A 13 TYR HD% A 14 ARG H 1.0 . 4.28 100 70 A 17 SER H A 18 ARG HDx 1.0 . 5.17 101 70 A 17 SER H A 18 ARG HDy 1.0 . 5.17 102 71 A 19 TYR H A 18 ARG HDx 1.0 . 5.80 103 71 A 19 TYR H A 18 ARG HDy 1.0 . 5.80 104 72 A 13 TYR HE% A 8 GLU H 1.0 . 6.00 105 73 A 7 GLN HA A 7 GLN HGx 1.0 . 3.89 106 73 A 7 GLN HA A 7 GLN HGy 1.0 . 3.89 107 74 A 8 GLU HA A 7 GLN HGx 1.0 . 4.34 108 74 A 8 GLU HA A 7 GLN HGy 1.0 . 4.34 109 75 A 5 VAL H A 5 VAL HB 1.0 . 4.08 110 76 A 6 ALA HB% A 6 ALA H 1.0 . 3.54 111 77 A 30 PHE H A 30 PHE HBy 1.0 . 4.18 112 78 A 30 PHE H A 30 PHE HBx 1.0 . 4.18 113 79 A 29 THR H A 29 THR HB 1.0 . 3.84 114 80 A 29 THR H A 29 THR HG2% 1.0 . 4.11 115 81 A 23 ALA H A 23 ALA HB% 1.0 . 3.20 116 82 A 24 ALA HA A 25 PHE H 1.0 . 3.49 117 83 A 28 ALA H A 28 ALA HB% 1.0 . 3.14 118 84 A 27 ARG H A 27 ARG HDx 1.0 . 4.65 119 84 A 27 ARG HDy A 27 ARG H 1.0 . 4.65 120 85 A 27 ARG H A 27 ARG HBy 1.0 . 3.80 121 86 A 27 ARG H A 27 ARG HBx 1.0 . 3.80 122 87 A 8 GLU H A 8 GLU HGx 1.0 . 4.00 123 87 A 8 GLU H A 8 GLU HGy 1.0 . 4.00 124 88 A 8 GLU H A 8 GLU HBx 1.0 . 3.73 125 88 A 8 GLU H A 8 GLU HBy 1.0 . 3.73 126 89 A 7 GLN H A 7 GLN HGx 1.0 . 4.26 127 89 A 7 GLN H A 7 GLN HGy 1.0 . 4.26 128 90 A 26 GLU H A 26 GLU HGx 1.0 . 3.77 129 90 A 26 GLU H A 26 GLU HGy 1.0 . 3.77 130 91 A 26 GLU H A 26 GLU HBy 1.0 . 3.59 131 92 A 10 GLY H A 13 TYR HBx 1.0 . 4.45 132 92 A 13 TYR HBy A 10 GLY H 1.0 . 4.45 133 93 A 28 ALA HB% A 29 THR H 1.0 . 3.93 134 94 A 25 PHE H A 24 ALA HB% 1.0 . 3.67 135 95 A 25 PHE H A 24 ALA H 1.0 . 3.52 136 96 A 6 ALA H A 5 VAL HGx% 1.0 . 4.37 137 96 A 5 VAL HGy% A 6 ALA H 1.0 . 4.37 138 97 A 25 PHE HA A 27 ARG H 1.0 . 4.71 139 98 A 26 GLU H A 25 PHE HBx 1.0 . 4.07 140 99 A 26 GLU H A 25 PHE HBy 1.0 . 4.07 141 100 A 27 ARG H A 26 GLU HGx 1.0 . 4.70 142 100 A 26 GLU HGy A 27 ARG H 1.0 . 4.70 143 101 A 10 GLY H A 9 LYS HBx 1.0 . 4.07 144 101 A 10 GLY H A 9 LYS HBy 1.0 . 4.07 145 102 A 23 ALA HA A 25 PHE H 1.0 . 4.49 146 103 A 30 PHE H A 29 THR HG2% 1.0 . 4.49 147 104 A 27 ARG H A 26 GLU HBx 1.0 . 4.22 148 105 A 27 ARG H A 26 GLU HBy 1.0 . 4.22 149 106 A 8 GLU H A 5 VAL HA 1.0 . 4.71 150 107 A 21 HIS H A 21 HIS HBy 1.0 . 4.02 151 108 A 21 HIS H A 21 HIS HBx 1.0 . 4.02 152 109 A 19 TYR H A 19 TYR HBy 1.0 . 3.85 153 110 A 19 TYR H A 19 TYR HBx 1.0 . 3.85 154 111 A 17 SER H A 17 SER HBy 1.0 . 3.81 155 112 A 17 SER H A 17 SER HBx 1.0 . 3.81 156 113 A 18 ARG H A 17 SER HBy 1.0 . 4.48 157 114 A 18 ARG H A 17 SER HBx 1.0 . 4.48 158 115 A 23 ALA H A 19 TYR HA 1.0 . 4.82 159 116 A 23 ALA H A 20 ARG HA 1.0 . 4.46 160 117 A 20 ARG H A 19 TYR HBx 1.0 . 4.48 161 118 A 20 ARG H A 20 ARG HBy 1.0 . 3.95 162 119 A 20 ARG H A 20 ARG HBx 1.0 . 3.95 163 120 A 20 ARG H A 20 ARG HGx 1.0 . 4.00 164 120 A 20 ARG HGy A 20 ARG H 1.0 . 4.00 165 121 A 18 ARG H A 18 ARG HBy 1.0 . 3.89 166 122 A 18 ARG H A 18 ARG HBx 1.0 . 3.89 167 123 A 18 ARG H A 18 ARG HGy 1.0 . 4.47 168 124 A 19 TYR HD% A 20 ARG HDx 1.0 . 4.45 169 124 A 20 ARG HDy A 19 TYR HD% 1.0 . 4.45 170 125 A 19 TYR HD% A 15 LEU HDx% 1.0 . 4.35 171 125 A 19 TYR HD% A 15 LEU HDy% 1.0 . 4.35 172 126 A 19 TYR HE% A 15 LEU HDx% 1.0 . 4.12 173 126 A 19 TYR HE% A 15 LEU HDy% 1.0 . 4.12 174 127 A 19 TYR HD% A 23 ALA HB% 1.0 . 4.31 175 128 A 19 TYR HE% A 23 ALA HB% 1.0 . 4.01 176 129 A 19 TYR HD% A 20 ARG HGx 1.0 . 3.96 177 129 A 19 TYR HD% A 20 ARG HGy 1.0 . 3.96 178 130 A 19 TYR HD% A 20 ARG HA 1.0 . 4.27 179 131 A 19 TYR HD% A 14 ARG HA 1.0 . 4.23 180 132 A 19 TYR HE% A 14 ARG HA 1.0 . 5.02 181 133 A 19 TYR HD% A 19 TYR HA 1.0 . 3.39 182 134 A 24 ALA HB% A 25 PHE HE% 1.0 . 4.10 183 134 A 25 PHE HD% A 24 ALA HB% 1.0 . 4.10 184 135 A 25 PHE HA A 25 PHE HE% 1.0 . 3.54 185 135 A 25 PHE HA A 25 PHE HD% 1.0 . 3.54 186 136 A 30 PHE HD% A 30 PHE HA 1.0 . 4.12 187 137 A 20 ARG HE A 20 ARG HGx 1.0 . 3.99 188 137 A 20 ARG HGy A 20 ARG HE 1.0 . 3.99 189 138 A 20 ARG HE A 20 ARG HBx 1.0 . 4.81 190 139 A 20 ARG HE A 20 ARG HBy 1.0 . 4.81 191 140 A 21 HIS HA A 21 HIS HD2 1.0 . 4.59 192 141 A 21 HIS HA A 24 ALA H 1.0 . 4.80 193 142 A 19 TYR HA A 22 TYR H 1.0 . 4.53 194 143 A 24 ALA HB% A 24 ALA H 1.0 . 3.10 195 144 A 14 ARG HE A 14 ARG HBx 1.0 . 4.37 196 145 A 14 ARG HE A 14 ARG HBy 1.0 . 4.37 197 146 A 13 TYR HD% A 14 ARG HGx 1.0 . 4.26 198 146 A 13 TYR HD% A 14 ARG HGy 1.0 . 4.26 199 147 A 13 TYR HD% A 9 LYS HBx 1.0 . 4.10 200 147 A 13 TYR HD% A 9 LYS HBy 1.0 . 4.10 201 148 A 13 TYR HE% A 9 LYS HBx 1.0 . 4.40 202 148 A 13 TYR HE% A 9 LYS HBy 1.0 . 4.40 203 149 A 13 TYR HE% A 14 ARG HGx 1.0 . 4.50 204 149 A 13 TYR HE% A 14 ARG HGy 1.0 . 4.50 205 150 A 13 TYR HA A 13 TYR HD% 1.0 . 3.40 206 151 A 4 LYS H A 5 VAL H 1.0 . 4.03 207 152 A 26 GLU H A 25 PHE H 1.0 . 3.45 208 153 A 23 ALA H A 24 ALA H 1.0 . 3.75 209 154 A 23 ALA H A 22 TYR H 1.0 . 3.60 210 155 A 22 TYR H A 21 HIS H 1.0 . 3.83 211 156 A 11 PHE HD% A 11 PHE HA 1.0 . 3.33 212 157 A 12 LEU HG A 11 PHE HD% 1.0 . 3.81 213 158 A 11 PHE HD% A 15 LEU HDx% 1.0 . 3.29 214 158 A 15 LEU HDy% A 11 PHE HD% 1.0 . 3.29 215 159 A 11 PHE HE% A 15 LEU HDx% 1.0 . 3.90 216 159 A 15 LEU HDy% A 11 PHE HE% 1.0 . 3.90 217 160 A 12 LEU HA A 11 PHE HD% 1.0 . 3.96 218 161 A 13 TYR HD% A 14 ARG HA 1.0 . 4.08 219 162 A 22 TYR HD% A 22 TYR HA 1.0 . 3.34 220 163 A 19 TYR HA A 22 TYR HD% 1.0 . 4.00 221 164 A 9 LYS H A 9 LYS HBx 1.0 . 3.49 222 164 A 9 LYS H A 9 LYS HBy 1.0 . 3.49 223 165 A 22 TYR HE% A 22 TYR HA 1.0 . 4.50 224 166 A 19 TYR HA A 22 TYR HE% 1.0 . 4.80 225 167 A 21 HIS HD2 A 18 ARG HA 1.0 . 4.82 226 168 A 13 TYR H A 13 TYR HBx 1.0 . 3.28 227 168 A 13 TYR HBy A 13 TYR H 1.0 . 3.28 228 169 A 13 TYR H A 12 LEU H 1.0 . 4.38 229 170 A 9 LYS H A 10 GLY H 1.0 . 3.57 230 171 A 30 PHE H A 29 THR H 1.0 . 3.56 231 172 A 28 ALA H A 29 THR H 1.0 . 3.70 232 173 A 1 TYR HA A 1 TYR HD% 1.0 . 3.91 233 174 A 12 LEU HBx A 13 TYR H 1.0 . 4.01 234 175 A 23 ALA HB% A 24 ALA H 1.0 . 3.66 235 176 A 18 ARG H A 18 ARG HGx 1.0 . 4.47 236 177 A 28 ALA HB% A 25 PHE HE% 1.0 . 4.48 237 177 A 25 PHE HD% A 28 ALA HB% 1.0 . 4.48 238 178 A 19 TYR H A 18 ARG HBx 1.0 . 4.22 239 179 A 29 THR HB A 29 THR HA 1.0 . 2.74 240 180 A 29 THR HG2% A 29 THR HA 1.0 . 3.52 241 181 A 4 LYS HA A 4 LYS HDx 1.0 . 4.34 242 181 A 4 LYS HA A 4 LYS HDy 1.0 . 4.34 243 182 A 5 VAL HA A 5 VAL HGx% 1.0 . 3.34 244 182 A 5 VAL HGy% A 5 VAL HA 1.0 . 3.34 245 183 A 27 ARG HDy A 27 ARG HBy 1.0 . 3.88 246 183 A 27 ARG HBy A 27 ARG HDx 1.0 . 3.88 247 184 A 27 ARG HDy A 27 ARG HBx 1.0 . 3.88 248 184 A 27 ARG HBx A 27 ARG HDx 1.0 . 3.88 249 185 A 15 LEU HA A 15 LEU HDx% 1.0 . 3.26 250 185 A 15 LEU HA A 15 LEU HDy% 1.0 . 3.26 251 186 A 12 LEU HA A 12 LEU HDy% 1.0 . 4.10 252 187 A 9 LYS HBx A 9 LYS HEx 1.0 . 4.40 253 187 A 9 LYS HBy A 9 LYS HEx 1.0 . 4.40 254 187 A 9 LYS HEy A 9 LYS HBx 1.0 . 4.40 255 187 A 9 LYS HBy A 9 LYS HEy 1.0 . 4.40 256 188 A 9 LYS HGy A 9 LYS HEx 1.0 . 4.16 257 188 A 9 LYS HEy A 9 LYS HGy 1.0 . 4.16 258 189 A 9 LYS HEy A 9 LYS HGx 1.0 . 4.16 259 189 A 9 LYS HEx A 9 LYS HGx 1.0 . 4.16 260 190 A 14 ARG HDy A 14 ARG HBx 1.0 . 3.99 261 191 A 14 ARG HDy A 14 ARG HBy 1.0 . 3.99 262 192 A 14 ARG HA A 19 TYR HBy 1.0 . 4.18 263 193 A 18 ARG HA A 18 ARG HGy 1.0 . 3.87 264 194 A 18 ARG HA A 18 ARG HDx 1.0 . 3.00 265 194 A 18 ARG HDy A 18 ARG HA 1.0 . 3.00 266 195 A 18 ARG HDy A 18 ARG HBx 1.0 . 3.94 267 195 A 18 ARG HBx A 18 ARG HDx 1.0 . 3.94 268 196 A 18 ARG HA A 18 ARG HGx 1.0 . 3.87 269 197 A 20 ARG HA A 20 ARG HGx 1.0 . 3.69 270 197 A 20 ARG HGy A 20 ARG HA 1.0 . 3.69 271 198 A 20 ARG HA A 20 ARG HDx 1.0 . 4.06 272 198 A 20 ARG HDy A 20 ARG HA 1.0 . 4.06 273 199 A 14 ARG HBy A 14 ARG HDx 1.0 . 3.99 274 200 A 14 ARG HBx A 14 ARG HDx 1.0 . 3.99 275 201 A 6 ALA HA A 5 VAL HGx% 1.0 . 3.96 276 201 A 5 VAL HGy% A 6 ALA HA 1.0 . 3.96 277 202 A 23 ALA HB% A 20 ARG HA 1.0 . 3.90 278 203 A 17 SER HA A 20 ARG HDx 1.0 . 3.96 279 203 A 20 ARG HDy A 17 SER HA 1.0 . 3.96 280 204 A 17 SER HA A 20 ARG HGx 1.0 . 4.05 281 204 A 20 ARG HGy A 17 SER HA 1.0 . 4.05 282 205 A 30 PHE HD% A 29 THR HG2% 1.0 . 4.56 283 206 A 30 PHE HE% A 26 GLU HBx 1.0 . 4.92 284 207 A 28 ALA HB% A 30 PHE H 1.0 . 4.70 285 208 A 4 LYS H A 4 LYS HGy 1.0 . 4.86 286 209 A 13 TYR HD% A 5 VAL HGx% 1.0 . 4.69 287 209 A 13 TYR HD% A 5 VAL HGy% 1.0 . 4.69 288 210 A 13 TYR HE% A 14 ARG HA 1.0 . 4.78 289 211 A 14 ARG HA A 19 TYR HBx 1.0 . 4.18 290 212 A 12 LEU HBx A 15 LEU HDx% 1.0 . 3.32 291 212 A 15 LEU HDy% A 12 LEU HBx 1.0 . 3.32 292 213 A 5 VAL H A 5 VAL HGx% 1.0 . 3.90 293 213 A 5 VAL HGy% A 5 VAL H 1.0 . 3.90 294 214 A 2 ALA H A 2 ALA HB% 1.0 . 3.61 295 215 A 23 ALA HA A 26 GLU HGx 1.0 . 4.49 296 215 A 23 ALA HA A 26 GLU HGy 1.0 . 4.49 297 216 A 21 HIS H A 18 ARG HA 1.0 . 4.66 298 217 A 16 THR HB A 18 ARG H 1.0 . 4.78 299 218 A 22 TYR H A 20 ARG HA 1.0 . 5.06 300 219 A 30 PHE H A 28 ALA HA 1.0 . 4.93 301 220 A 24 ALA H A 22 TYR HA 1.0 . 4.88 302 221 A 19 TYR HA A 21 HIS H 1.0 . 4.67 303 222 A 18 ARG H A 18 ARG HDx 1.0 . 4.78 304 222 A 18 ARG HDy A 18 ARG H 1.0 . 4.78 305 223 A 23 ALA HA A 27 ARG H 1.0 . 4.75 306 224 A 20 ARG H A 17 SER HA 1.0 . 4.36 307 225 A 21 HIS HA A 21 HIS HE1 1.0 . 4.94 308 226 A 22 TYR HE% A 18 ARG HGy 1.0 . 4.75 309 227 A 12 LEU HA A 15 LEU HDx% 1.0 . 3.75 310 227 A 12 LEU HA A 15 LEU HDy% 1.0 . 3.75 311 228 A 7 GLN HGy A 8 GLU HGx 1.0 . 3.95 312 228 A 7 GLN HGx A 8 GLU HGx 1.0 . 3.95 313 228 A 8 GLU HGy A 7 GLN HGx 1.0 . 3.95 314 228 A 8 GLU HGy A 7 GLN HGy 1.0 . 3.95 315 229 A 14 ARG HE A 6 ALA HA 1.0 . 4.72 316 230 A 22 TYR HA A 25 PHE HE% 1.0 . 4.68 317 230 A 25 PHE HD% A 22 TYR HA 1.0 . 4.68 318 231 A 11 PHE HE% A 11 PHE HA 1.0 . 4.83 319 232 A 1 TYR HD% A 5 VAL HGx% 1.0 . 4.99 320 232 A 5 VAL HGy% A 1 TYR HD% 1.0 . 4.99 321 233 A 13 TYR HE% A 9 LYS HEx 1.0 . 4.81 322 233 A 13 TYR HE% A 9 LYS HEy 1.0 . 4.81 323 234 A 24 ALA HB% A 28 ALA HA 1.0 . 4.31 324 235 A 3 GLU HA A 3 GLU HGx 1.0 . 4.09 325 235 A 3 GLU HA A 3 GLU HGy 1.0 . 4.09 326 236 A 1 TYR HD% A 2 ALA HA 1.0 . 4.95 327 237 A 20 ARG H A 19 TYR HBy 1.0 . 4.48 328 238 A 23 ALA HB% A 1 TYR HE% 1.0 . 4.99 329 239 A 13 TYR HE% A 5 VAL HGx% 1.0 . 4.90 330 239 A 13 TYR HE% A 5 VAL HGy% 1.0 . 4.90 331 240 A 4 LYS H A 3 GLU H 1.0 . 4.72 332 241 A 6 ALA HB% A 3 GLU H 1.0 . 4.90 333 242 A 6 ALA HB% A 5 VAL H 1.0 . 4.90 334 243 A 22 TYR HD% A 22 TYR H 1.0 . 4.00 335 244 A 19 TYR HD% A 19 TYR H 1.0 . 4.25 336 245 A 13 TYR HD% A 13 TYR H 1.0 . 4.33 337 246 A 19 TYR HD% A 20 ARG H 1.0 . 4.48 338 247 A 19 TYR HE% A 20 ARG HA 1.0 . 4.81 339 248 A 30 PHE HE% A 29 THR HG2% 1.0 . 4.57 340 249 A 15 LEU H A 15 LEU HDx% 1.0 . 4.29 341 249 A 15 LEU HDy% A 15 LEU H 1.0 . 4.29 342 250 A 30 PHE H A 29 THR HB 1.0 . 3.76 343 251 A 1 TYR HD% A 27 ARG HGy 1.0 . 4.44 344 251 A 1 TYR HD% A 27 ARG HGx 1.0 . 4.44 345 252 A 4 LYS H A 4 LYS HBy 1.0 . 3.63 346 252 A 4 LYS H A 4 LYS HBx 1.0 . 3.63 347 253 A 4 LYS H A 4 LYS HGx 1.0 . 4.14 348 253 A 4 LYS H A 4 LYS HGy 1.0 . 4.14 349 254 A 4 LYS HA A 4 LYS HGx 1.0 . 3.70 350 254 A 4 LYS HA A 4 LYS HGy 1.0 . 3.70 351 255 A 8 GLU H A 7 GLN HBx 1.0 . 3.83 352 255 A 8 GLU H A 7 GLN HBy 1.0 . 3.83 353 256 A 9 LYS HA A 9 LYS HGx 1.0 . 3.57 354 256 A 9 LYS HA A 9 LYS HGy 1.0 . 3.57 355 257 A 10 GLY H A 9 LYS HGx 1.0 . 4.82 356 257 A 10 GLY H A 9 LYS HGy 1.0 . 4.82 357 258 A 13 TYR HE% A 9 LYS HGx 1.0 . 4.42 358 258 A 13 TYR HE% A 9 LYS HGy 1.0 . 4.42 359 259 A 13 TYR HD% A 9 LYS HDy 1.0 . 4.87 360 259 A 13 TYR HD% A 9 LYS HDx 1.0 . 4.87 361 260 A 11 PHE HA A 14 ARG HDx 1.0 . 4.35 362 260 A 11 PHE HA A 14 ARG HDy 1.0 . 4.35 363 261 A 12 LEU HA A 11 PHE HBy 1.0 . 5.04 364 261 A 12 LEU HA A 11 PHE HBx 1.0 . 5.04 365 262 A 11 PHE HD% A 12 LEU HDy% 1.0 . 3.53 366 262 A 11 PHE HD% A 12 LEU HDx% 1.0 . 3.53 367 263 A 11 PHE HD% A 14 ARG HBy 1.0 . 4.44 368 263 A 11 PHE HD% A 14 ARG HBx 1.0 . 4.44 369 264 A 11 PHE HE% A 12 LEU HDy% 1.0 . 4.70 370 264 A 11 PHE HE% A 12 LEU HDx% 1.0 . 4.70 371 265 A 12 LEU H A 12 LEU HDy% 1.0 . 5.03 372 265 A 12 LEU H A 12 LEU HDx% 1.0 . 5.03 373 266 A 12 LEU HA A 12 LEU HDy% 1.0 . 3.19 374 266 A 12 LEU HA A 12 LEU HDx% 1.0 . 3.19 375 267 A 13 TYR HD% A 14 ARG HBy 1.0 . 4.27 376 267 A 13 TYR HD% A 14 ARG HBx 1.0 . 4.27 377 268 A 13 TYR HE% A 14 ARG HBy 1.0 . 5.73 378 268 A 13 TYR HE% A 14 ARG HBx 1.0 . 5.73 379 269 A 14 ARG HA A 19 TYR HBy 1.0 . 3.57 380 269 A 14 ARG HA A 19 TYR HBx 1.0 . 3.57 381 270 A 14 ARG HBy A 14 ARG HDx 1.0 . 3.11 382 270 A 14 ARG HBx A 14 ARG HDx 1.0 . 3.11 383 270 A 14 ARG HDy A 14 ARG HBy 1.0 . 3.11 384 270 A 14 ARG HDy A 14 ARG HBx 1.0 . 3.11 385 271 A 15 LEU HA A 14 ARG HBy 1.0 . 4.52 386 271 A 15 LEU HA A 14 ARG HBx 1.0 . 4.52 387 272 A 17 SER HA A 20 ARG HBy 1.0 . 3.73 388 272 A 17 SER HA A 20 ARG HBx 1.0 . 3.73 389 273 A 18 ARG H A 17 SER HBy 1.0 . 3.94 390 273 A 18 ARG H A 17 SER HBx 1.0 . 3.94 391 274 A 18 ARG H A 18 ARG HBy 1.0 . 3.36 392 274 A 18 ARG H A 18 ARG HBx 1.0 . 3.36 393 275 A 18 ARG H A 18 ARG HGx 1.0 . 3.92 394 275 A 18 ARG H A 18 ARG HGy 1.0 . 3.92 395 276 A 18 ARG HA A 21 HIS HBx 1.0 . 4.03 396 276 A 18 ARG HA A 21 HIS HBy 1.0 . 4.03 397 277 A 18 ARG HBy A 18 ARG HDx 1.0 . 3.45 398 277 A 18 ARG HBx A 18 ARG HDx 1.0 . 3.45 399 277 A 18 ARG HDy A 18 ARG HBy 1.0 . 3.45 400 277 A 18 ARG HDy A 18 ARG HBx 1.0 . 3.45 401 278 A 22 TYR HE% A 18 ARG HBy 1.0 . 4.76 402 278 A 22 TYR HE% A 18 ARG HBx 1.0 . 4.76 403 279 A 20 ARG H A 19 TYR HBy 1.0 . 3.81 404 279 A 20 ARG H A 19 TYR HBx 1.0 . 3.81 405 280 A 22 TYR HD% A 19 TYR HBy 1.0 . 4.44 406 280 A 22 TYR HD% A 19 TYR HBx 1.0 . 4.44 407 281 A 19 TYR HD% A 20 ARG HBy 1.0 . 4.94 408 281 A 19 TYR HD% A 20 ARG HBx 1.0 . 4.94 409 282 A 19 TYR HD% A 22 TYR HBy 1.0 . 4.79 410 282 A 19 TYR HD% A 22 TYR HBx 1.0 . 4.79 411 283 A 20 ARG H A 20 ARG HBy 1.0 . 3.44 412 283 A 20 ARG H A 20 ARG HBx 1.0 . 3.44 413 284 A 20 ARG HE A 20 ARG HBy 1.0 . 4.19 414 284 A 20 ARG HE A 20 ARG HBx 1.0 . 4.19 415 285 A 22 TYR HD% A 21 HIS HBx 1.0 . 4.97 416 285 A 22 TYR HD% A 21 HIS HBy 1.0 . 4.97 417 286 A 22 TYR HE% A 21 HIS HBx 1.0 . 4.88 418 286 A 22 TYR HE% A 21 HIS HBy 1.0 . 4.88 419 287 A 22 TYR H A 22 TYR HBy 1.0 . 3.19 420 287 A 22 TYR H A 22 TYR HBx 1.0 . 3.19 421 288 A 22 TYR HA A 26 GLU HBx 1.0 . 4.18 422 288 A 22 TYR HA A 26 GLU HBy 1.0 . 4.18 423 289 A 23 ALA H A 22 TYR HBy 1.0 . 4.02 424 289 A 23 ALA H A 22 TYR HBx 1.0 . 4.02 425 290 A 24 ALA H A 22 TYR HBy 1.0 . 4.88 426 290 A 24 ALA H A 22 TYR HBx 1.0 . 4.88 427 291 A 23 ALA HA A 26 GLU HBx 1.0 . 4.19 428 291 A 23 ALA HA A 26 GLU HBy 1.0 . 4.19 429 292 A 23 ALA HA A 27 ARG HBy 1.0 . 4.15 430 292 A 23 ALA HA A 27 ARG HBx 1.0 . 4.15 431 293 A 25 PHE H A 25 PHE HBy 1.0 . 3.45 432 293 A 25 PHE H A 25 PHE HBx 1.0 . 3.45 433 294 A 26 GLU H A 26 GLU HBx 1.0 . 3.04 434 294 A 26 GLU H A 26 GLU HBy 1.0 . 3.04 435 295 A 30 PHE HE% A 26 GLU HBx 1.0 . 4.15 436 295 A 30 PHE HE% A 26 GLU HBy 1.0 . 4.15 437 296 A 27 ARG H A 27 ARG HBy 1.0 . 3.26 438 296 A 27 ARG H A 27 ARG HBx 1.0 . 3.26 439 297 A 27 ARG H A 27 ARG HGy 1.0 . 3.60 440 297 A 27 ARG H A 27 ARG HGx 1.0 . 3.60 441 298 A 27 ARG HA A 27 ARG HGy 1.0 . 3.45 442 298 A 27 ARG HA A 27 ARG HGx 1.0 . 3.45 443 299 A 27 ARG HE A 27 ARG HBy 1.0 . 4.78 444 299 A 27 ARG HBx A 27 ARG HE 1.0 . 4.78 445 300 A 30 PHE H A 30 PHE HBy 1.0 . 3.45 446 300 A 30 PHE H A 30 PHE HBx 1.0 . 3.45 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_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 11 PHE C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -78.7 -38.7 PHI 2 2 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 TYR N 1.0 -62.0 -22.0 PSI 3 3 A 12 LEU C A 13 TYR N A 13 TYR CA A 13 TYR C 1.0 -80.8 -40.8 PHI 4 4 A 13 TYR N A 13 TYR CA A 13 TYR C A 14 ARG N 1.0 -62.3 -22.3 PSI 5 5 A 13 TYR C A 14 ARG N A 14 ARG CA A 14 ARG C 1.0 -82.7 -42.7 PHI 6 6 A 14 ARG N A 14 ARG CA A 14 ARG C A 15 LEU N 1.0 -62.3 -18.7 PSI 7 7 A 17 SER C A 18 ARG N A 18 ARG CA A 18 ARG C 1.0 -86.7 -46.7 PHI 8 8 A 18 ARG N A 18 ARG CA A 18 ARG C A 19 TYR N 1.0 -59.4 -19.4 PSI 9 9 A 18 ARG C A 19 TYR N A 19 TYR CA A 19 TYR C 1.0 -102.3 -42.4 PHI 10 10 A 19 TYR N A 19 TYR CA A 19 TYR C A 20 ARG N 1.0 -67.0 -1.1 PSI 11 11 A 19 TYR C A 20 ARG N A 20 ARG CA A 20 ARG C 1.0 -82.3 -42.3 PHI 12 12 A 20 ARG N A 20 ARG CA A 20 ARG C A 21 HIS N 1.0 -61.7 -17.7 PSI 13 13 A 20 ARG C A 21 HIS N A 21 HIS CA A 21 HIS C 1.0 -88.2 -48.2 PHI 14 14 A 21 HIS N A 21 HIS CA A 21 HIS C A 22 TYR N 1.0 -69.2 12.4 PSI 15 15 A 21 HIS C A 22 TYR N A 22 TYR CA A 22 TYR C 1.0 -83.1 -43.1 PHI 16 16 A 22 TYR N A 22 TYR CA A 22 TYR C A 23 ALA N 1.0 -60.2 -20.2 PSI stop_ save_