data_nef_c34044_5lwc 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 5LWC 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 FME C 1 2 ALA N stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 FME start -OXT . 2 A 2 ALA middle -H2 . 3 A 3 GLY middle . false 4 A 4 LEU middle . . 5 A 5 LEU middle . . 6 A 6 ARG middle . . 7 A 7 PHE middle . . 8 A 8 LEU middle . . 9 A 9 LEU middle . . 10 A 10 SER middle . . 11 A 11 LYS middle . . 12 A 12 GLY middle . false 13 A 13 ARG middle . . 14 A 14 ALA middle . . 15 A 15 LEU middle . . 16 A 16 TYR middle . . 17 A 17 ASN middle . . 18 A 18 TRP middle . . 19 A 19 ALA middle . . 20 A 20 LYS middle . . 21 A 21 SER middle . . 22 A 22 HIS middle . . 23 A 23 VAL middle . . 24 A 24 GLY middle . false 25 A 25 LYS middle . . 26 A 26 VAL middle . . 27 A 27 TRP middle . . 28 A 28 GLU middle . . 29 A 29 TRP middle . . 30 A 30 LEU middle . . 31 A 31 LYS middle . . 32 A 32 SER middle . . 33 A 33 GLY middle . false 34 A 34 ALA middle . . 35 A 35 THR middle . . 36 A 36 TYR middle . . 37 A 37 GLU middle . . 38 A 38 GLN middle . . 39 A 39 ILE middle . . 40 A 40 LYS middle . . 41 A 41 GLU middle . . 42 A 42 TRP middle . . 43 A 43 ILE middle . . 44 A 44 GLU middle . . 45 A 45 ASN middle . . 46 A 46 ALA middle . . 47 A 47 LEU middle . . 48 A 48 GLY middle . false 49 A 49 TRP middle . . 50 A 50 ARG end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 FME H H 1 8.619 0.01 A 1 FME HA H 1 4.197 0.01 A 1 FME HBy H 1 1.973 0.01 A 1 FME HBx H 1 1.586 0.01 A 1 FME HE% H 1 1.345 0.01 A 1 FME HGy H 1 2.418 0.01 A 1 FME HGx H 1 2.297 0.01 A 1 FME C C 13 177 0.1 A 1 FME CA C 13 55.914 0.1 A 1 FME CB C 13 31.477 0.1 A 1 FME CE C 13 16.259 0.1 A 1 FME CG C 13 32.068 0.1 A 1 FME N N 15 130.064 0.1 A 2 ALA H H 1 8.711 0.01 A 2 ALA HA H 1 4.034 0.01 A 2 ALA HB% H 1 1.438 0.01 A 2 ALA C C 13 181.4 0.1 A 2 ALA CA C 13 56.035 0.1 A 2 ALA CB C 13 17.752 0.1 A 2 ALA N N 15 121.503 0.1 A 3 GLY H H 1 8.601 0.01 A 3 GLY HAy H 1 4.006 0.01 A 3 GLY HAx H 1 3.788 0.01 A 3 GLY CA C 13 46.887 0.1 A 3 GLY N N 15 106.451 0.1 A 4 LEU H H 1 7.699 0.01 A 4 LEU HA H 1 3.082 0.01 A 4 LEU HBy H 1 1.902 0.01 A 4 LEU HBx H 1 1.218 0.01 A 4 LEU HDx% H 1 0.977 0.01 A 4 LEU HDy% H 1 0.641 0.01 A 4 LEU HG H 1 1.353 0.01 A 4 LEU C C 13 178.6 0.1 A 4 LEU CA C 13 57.416 0.1 A 4 LEU CB C 13 40.571 0.1 A 4 LEU CDy C 13 27.360 0.1 A 4 LEU CDx C 13 23.016 0.1 A 4 LEU CG C 13 27.285 0.1 A 4 LEU N N 15 124.857 0.1 A 5 LEU H H 1 8.641 0.01 A 5 LEU HA H 1 3.977 0.01 A 5 LEU HBy H 1 2.079 0.01 A 5 LEU HBx H 1 1.621 0.01 A 5 LEU HDx% H 1 0.821 0.01 A 5 LEU HDy% H 1 0.655 0.01 A 5 LEU HG H 1 1.813 0.01 A 5 LEU C C 13 179 0.1 A 5 LEU CA C 13 58.851 0.1 A 5 LEU CB C 13 40.821 0.1 A 5 LEU CDy C 13 25.711 0.1 A 5 LEU CDx C 13 22.266 0.1 A 5 LEU CG C 13 27.019 0.1 A 5 LEU N N 15 118.968 0.1 A 6 ARG H H 1 7.723 0.01 A 6 ARG HA H 1 3.997 0.01 A 6 ARG HBx H 1 1.955 0.01 A 6 ARG HBy H 1 1.955 0.01 A 6 ARG HDy H 1 3.295 0.01 A 6 ARG HDx H 1 3.212 0.01 A 6 ARG HGy H 1 1.845 0.01 A 6 ARG HGx H 1 1.635 0.01 A 6 ARG C C 13 179.1 0.1 A 6 ARG CA C 13 59.925 0.1 A 6 ARG CB C 13 30.360 0.1 A 6 ARG CD C 13 43.512 0.1 A 6 ARG CG C 13 27.779 0.1 A 6 ARG N N 15 118.106 0.1 A 7 PHE H H 1 7.800 0.01 A 7 PHE HA H 1 4.308 0.01 A 7 PHE HBy H 1 3.290 0.01 A 7 PHE HBx H 1 3.164 0.01 A 7 PHE HDx H 1 7.137 0.01 A 7 PHE HDy H 1 7.137 0.01 A 7 PHE HEx H 1 7.231 0.01 A 7 PHE HEy H 1 7.231 0.01 A 7 PHE C C 13 178.5 0.1 A 7 PHE CA C 13 60.936 0.1 A 7 PHE CB C 13 38.939 0.1 A 7 PHE CDx C 13 132.252 0.1 A 7 PHE CDy C 13 132.252 0.1 A 7 PHE CEx C 13 129.664 0.1 A 7 PHE CEy C 13 129.664 0.1 A 7 PHE CZ C 13 131.824 0.1 A 7 PHE N N 15 121.547 0.1 A 8 LEU H H 1 9.255 0.01 A 8 LEU HA H 1 3.634 0.01 A 8 LEU HBy H 1 2.028 0.01 A 8 LEU HBx H 1 1.214 0.01 A 8 LEU HDx% H 1 0.799 0.01 A 8 LEU HDy% H 1 0.813 0.01 A 8 LEU HG H 1 2.116 0.01 A 8 LEU C C 13 178.4 0.1 A 8 LEU CA C 13 58.090 0.1 A 8 LEU CB C 13 41.296 0.1 A 8 LEU CDy C 13 27.542 0.1 A 8 LEU CDx C 13 21.268 0.1 A 8 LEU CG C 13 26.247 0.1 A 8 LEU N N 15 120.147 0.1 A 9 LEU H H 1 8.442 0.01 A 9 LEU HA H 1 3.772 0.01 A 9 LEU HBy H 1 1.628 0.01 A 9 LEU HBx H 1 1.350 0.01 A 9 LEU HDx% H 1 0.378 0.01 A 9 LEU HDy% H 1 0.356 0.01 A 9 LEU HG H 1 1.294 0.01 A 9 LEU CA C 13 58.186 0.1 A 9 LEU CB C 13 40.998 0.1 A 9 LEU CDy C 13 24.712 0.1 A 9 LEU CDx C 13 22.164 0.1 A 9 LEU CG C 13 26.504 0.1 A 9 LEU N N 15 118.279 0.1 A 10 SER H H 1 7.375 0.01 A 10 SER HA H 1 4.173 0.01 A 10 SER HB2 H 1 3.916 0.01 A 10 SER HB3 H 1 3.916 0.01 A 10 SER C C 13 174.9 0.1 A 10 SER CA C 13 60.749 0.1 A 10 SER CB C 13 63.093 0.1 A 10 SER N N 15 112.631 0.1 A 11 LYS H H 1 7.273 0.01 A 11 LYS HA H 1 4.344 0.01 A 11 LYS HBy H 1 1.801 0.01 A 11 LYS HBx H 1 1.676 0.01 A 11 LYS HD2 H 1 1.312 0.01 A 11 LYS HD3 H 1 1.312 0.01 A 11 LYS HEy H 1 2.694 0.01 A 11 LYS HEx H 1 2.399 0.01 A 11 LYS HGy H 1 0.979 0.01 A 11 LYS HGx H 1 0.572 0.01 A 11 LYS C C 13 177.3 0.1 A 11 LYS CA C 13 54.871 0.1 A 11 LYS CB C 13 32.060 0.1 A 11 LYS CD C 13 27.203 0.1 A 11 LYS CE C 13 42.603 0.1 A 11 LYS CG C 13 23.202 0.1 A 11 LYS N N 15 120.132 0.1 A 12 GLY H H 1 8.178 0.01 A 12 GLY HAy H 1 4.277 0.01 A 12 GLY HAx H 1 3.934 0.01 A 12 GLY CA C 13 46.939 0.1 A 12 GLY N N 15 108.907 0.1 A 13 ARG H H 1 9.150 0.01 A 13 ARG HA H 1 3.958 0.01 A 13 ARG HB2 H 1 1.925 0.01 A 13 ARG HB3 H 1 1.925 0.01 A 13 ARG HDy H 1 3.250 0.01 A 13 ARG HDx H 1 3.209 0.01 A 13 ARG HGy H 1 1.762 0.01 A 13 ARG HGx H 1 1.667 0.01 A 13 ARG C C 13 177.6 0.1 A 13 ARG CA C 13 59.789 0.1 A 13 ARG CB C 13 29.557 0.1 A 13 ARG CD C 13 42.744 0.1 A 13 ARG CG C 13 27.352 0.1 A 13 ARG N N 15 129.320 0.1 A 14 ALA H H 1 9.220 0.01 A 14 ALA HA H 1 4.266 0.01 A 14 ALA HB% H 1 1.607 0.01 A 14 ALA C C 13 180.9 0.1 A 14 ALA CA C 13 55.514 0.1 A 14 ALA CB C 13 18.902 0.1 A 14 ALA N N 15 119.189 0.1 A 15 LEU H H 1 7.363 0.01 A 15 LEU HA H 1 3.999 0.01 A 15 LEU HBy H 1 2.146 0.01 A 15 LEU HBx H 1 1.339 0.01 A 15 LEU HDx% H 1 0.839 0.01 A 15 LEU HDy% H 1 0.546 0.01 A 15 LEU HG H 1 1.527 0.01 A 15 LEU C C 13 178.2 0.1 A 15 LEU CA C 13 57.837 0.1 A 15 LEU CB C 13 42.310 0.1 A 15 LEU CDy C 13 26.376 0.1 A 15 LEU CDx C 13 24.316 0.1 A 15 LEU CG C 13 28.052 0.1 A 15 LEU N N 15 116.256 0.1 A 16 TYR H H 1 7.041 0.01 A 16 TYR HA H 1 3.926 0.01 A 16 TYR HBy H 1 3.182 0.01 A 16 TYR HBx H 1 2.679 0.01 A 16 TYR HDx H 1 7.226 0.01 A 16 TYR HDy H 1 7.235 0.01 A 16 TYR HEx H 1 6.800 0.01 A 16 TYR HEy H 1 6.800 0.01 A 16 TYR C C 13 176 0.1 A 16 TYR CA C 13 61.525 0.1 A 16 TYR CB C 13 39.038 0.1 A 16 TYR CDx C 13 134.403 0.1 A 16 TYR CDy C 13 134.422 0.1 A 16 TYR CEx C 13 118.177 0.1 A 16 TYR CEy C 13 118.177 0.1 A 16 TYR N N 15 120.070 0.1 A 17 ASN H H 1 9.110 0.01 A 17 ASN HA H 1 4.230 0.01 A 17 ASN HB2 H 1 2.887 0.01 A 17 ASN HB3 H 1 2.887 0.01 A 17 ASN C C 13 178.7 0.1 A 17 ASN CA C 13 55.617 0.1 A 17 ASN CB C 13 37.423 0.1 A 17 ASN N N 15 117.232 0.1 A 18 TRP H H 1 7.991 0.01 A 18 TRP HA H 1 4.129 0.01 A 18 TRP HBy H 1 3.378 0.01 A 18 TRP HBx H 1 3.271 0.01 A 18 TRP HD1 H 1 7.176 0.01 A 18 TRP HE1 H 1 10.205 0.01 A 18 TRP HH2 H 1 7.298 0.01 A 18 TRP HZ2 H 1 7.509 0.01 A 18 TRP C C 13 180.5 0.1 A 18 TRP CA C 13 62.900 0.1 A 18 TRP CB C 13 29.859 0.1 A 18 TRP CD1 C 13 127.653 0.1 A 18 TRP CH2 C 13 124.763 0.1 A 18 TRP CZ2 C 13 114.761 0.1 A 18 TRP N N 15 121.787 0.1 A 18 TRP NE1 N 15 128.198 0.1 A 19 ALA H H 1 8.365 0.01 A 19 ALA HA H 1 3.980 0.01 A 19 ALA HB% H 1 1.426 0.01 A 19 ALA C C 13 179.1 0.1 A 19 ALA CA C 13 56.099 0.1 A 19 ALA CB C 13 18.486 0.1 A 19 ALA N N 15 122.597 0.1 A 20 LYS H H 1 7.984 0.01 A 20 LYS HA H 1 3.700 0.01 A 20 LYS HBy H 1 1.579 0.01 A 20 LYS HBx H 1 1.472 0.01 A 20 LYS HD2 H 1 1.314 0.01 A 20 LYS HD3 H 1 1.314 0.01 A 20 LYS HGy H 1 1.096 0.01 A 20 LYS HGx H 1 1.014 0.01 A 20 LYS C C 13 177.9 0.1 A 20 LYS CA C 13 58.289 0.1 A 20 LYS CB C 13 31.258 0.1 A 20 LYS CD C 13 28.287 0.1 A 20 LYS CG C 13 24.298 0.1 A 20 LYS N N 15 114.365 0.1 A 21 SER H H 1 7.394 0.01 A 21 SER HA H 1 4.314 0.01 A 21 SER HBx H 1 3.565 0.01 A 21 SER HBy H 1 3.659 0.01 A 21 SER C C 13 173.8 0.1 A 21 SER CA C 13 58.530 0.1 A 21 SER CB C 13 63.868 0.1 A 21 SER N N 15 111.141 0.1 A 22 HIS H H 1 7.306 0.01 A 22 HIS HA H 1 4.426 0.01 A 22 HIS HBy H 1 2.489 0.01 A 22 HIS HBx H 1 1.617 0.01 A 22 HIS HD2 H 1 6.623 0.01 A 22 HIS HE1 H 1 7.740 0.01 A 22 HIS C C 13 174.2 0.1 A 22 HIS CA C 13 54.613 0.1 A 22 HIS CB C 13 26.938 0.1 A 22 HIS CD2 C 13 118.349 0.1 A 22 HIS CE1 C 13 134.228 0.1 A 22 HIS N N 15 121.915 0.1 A 23 VAL H H 1 7.377 0.01 A 23 VAL HA H 1 3.538 0.01 A 23 VAL HB H 1 1.969 0.01 A 23 VAL HGx% H 1 0.977 0.01 A 23 VAL HGy% H 1 0.945 0.01 A 23 VAL C C 13 177 0.1 A 23 VAL CA C 13 66.712 0.1 A 23 VAL CB C 13 31.943 0.1 A 23 VAL CGy C 13 22.150 0.1 A 23 VAL CGx C 13 20.851 0.1 A 23 VAL N N 15 120.228 0.1 A 24 GLY H H 1 8.430 0.01 A 24 GLY HAy H 1 3.882 0.01 A 24 GLY HAx H 1 3.793 0.01 A 24 GLY CA C 13 47.161 0.1 A 24 GLY N N 15 106.766 0.1 A 25 LYS H H 1 7.446 0.01 A 25 LYS HA H 1 3.806 0.01 A 25 LYS HBy H 1 1.562 0.01 A 25 LYS HBx H 1 1.326 0.01 A 25 LYS HD2 H 1 1.401 0.01 A 25 LYS HD3 H 1 1.401 0.01 A 25 LYS HEy H 1 2.801 0.01 A 25 LYS HEx H 1 2.757 0.01 A 25 LYS HGy H 1 0.935 0.01 A 25 LYS HGx H 1 0.321 0.01 A 25 LYS C C 13 177.1 0.1 A 25 LYS CA C 13 57.268 0.1 A 25 LYS CB C 13 31.186 0.1 A 25 LYS CD C 13 27.641 0.1 A 25 LYS CE C 13 41.779 0.1 A 25 LYS CG C 13 22.917 0.1 A 25 LYS N N 15 123.035 0.1 A 26 VAL H H 1 7.636 0.01 A 26 VAL HA H 1 3.746 0.01 A 26 VAL HB H 1 2.071 0.01 A 26 VAL HGx% H 1 1.211 0.01 A 26 VAL HGy% H 1 1.012 0.01 A 26 VAL C C 13 178.4 0.1 A 26 VAL CA C 13 66.412 0.1 A 26 VAL CB C 13 31.068 0.1 A 26 VAL CGx C 13 23.662 0.1 A 26 VAL CGy C 13 23.909 0.1 A 26 VAL N N 15 116.961 0.1 A 27 TRP H H 1 8.865 0.01 A 27 TRP HBy H 1 3.374 0.01 A 27 TRP HBx H 1 3.298 0.01 A 27 TRP HD1 H 1 7.183 0.01 A 27 TRP HE1 H 1 10.017 0.01 A 27 TRP HH2 H 1 6.672 0.01 A 27 TRP HZ2 H 1 6.902 0.01 A 27 TRP C C 13 178.5 0.1 A 27 TRP CB C 13 29.851 0.1 A 27 TRP CD1 C 13 127.493 0.1 A 27 TRP CH2 C 13 123.752 0.1 A 27 TRP CZ2 C 13 114.232 0.1 A 27 TRP N N 15 119.913 0.1 A 27 TRP NE1 N 15 129.916 0.1 A 28 GLU H H 1 7.643 0.01 A 28 GLU HA H 1 3.961 0.01 A 28 GLU HB2 H 1 2.162 0.01 A 28 GLU HB3 H 1 2.162 0.01 A 28 GLU HGy H 1 2.466 0.01 A 28 GLU HGx H 1 2.236 0.01 A 28 GLU C C 13 180.5 0.1 A 28 GLU CA C 13 59.803 0.1 A 28 GLU CB C 13 28.870 0.1 A 28 GLU CG C 13 35.772 0.1 A 28 GLU N N 15 118.976 0.1 A 29 TRP H H 1 8.268 0.01 A 29 TRP HBy H 1 3.938 0.01 A 29 TRP HBx H 1 3.166 0.01 A 29 TRP HD1 H 1 7.183 0.01 A 29 TRP HE1 H 1 9.652 0.01 A 29 TRP HH2 H 1 6.814 0.01 A 29 TRP HZ2 H 1 7.308 0.01 A 29 TRP HZ3 H 1 7.044 0.01 A 29 TRP C C 13 180.3 0.1 A 29 TRP CB C 13 28.941 0.1 A 29 TRP CD1 C 13 124.756 0.1 A 29 TRP CH2 C 13 124.739 0.1 A 29 TRP CZ2 C 13 114.454 0.1 A 29 TRP CZ3 C 13 121.566 0.1 A 29 TRP N N 15 121.194 0.1 A 29 TRP NE1 N 15 128.364 0.1 A 30 LEU H H 1 9.181 0.01 A 30 LEU HA H 1 4.242 0.01 A 30 LEU HBy H 1 2.075 0.01 A 30 LEU HBx H 1 1.709 0.01 A 30 LEU HDx% H 1 0.737 0.01 A 30 LEU HDy% H 1 0.969 0.01 A 30 LEU HG H 1 1.770 0.01 A 30 LEU C C 13 181.8 0.1 A 30 LEU CA C 13 58.679 0.1 A 30 LEU CB C 13 42.388 0.1 A 30 LEU CDy C 13 25.371 0.1 A 30 LEU CDx C 13 23.682 0.1 A 30 LEU CG C 13 27.080 0.1 A 30 LEU N N 15 122.683 0.1 A 31 LYS H H 1 9.071 0.01 A 31 LYS HA H 1 4.067 0.01 A 31 LYS HB2 H 1 1.805 0.01 A 31 LYS HB3 H 1 1.805 0.01 A 31 LYS HD2 H 1 1.558 0.01 A 31 LYS HD3 H 1 1.558 0.01 A 31 LYS HEy H 1 2.801 0.01 A 31 LYS HEx H 1 2.764 0.01 A 31 LYS HGy H 1 1.538 0.01 A 31 LYS HGx H 1 1.411 0.01 A 31 LYS C C 13 178.1 0.1 A 31 LYS CA C 13 59.212 0.1 A 31 LYS CB C 13 31.998 0.1 A 31 LYS CD C 13 29.162 0.1 A 31 LYS CE C 13 42.012 0.1 A 31 LYS CG C 13 25.374 0.1 A 31 LYS N N 15 121.282 0.1 A 32 SER H H 1 7.872 0.01 A 32 SER HA H 1 4.598 0.01 A 32 SER HBy H 1 4.299 0.01 A 32 SER HBx H 1 4.221 0.01 A 32 SER C C 13 174.6 0.1 A 32 SER CA C 13 59.455 0.1 A 32 SER CB C 13 64.252 0.1 A 32 SER N N 15 113.381 0.1 A 33 GLY H H 1 7.921 0.01 A 33 GLY HAy H 1 4.338 0.01 A 33 GLY HAx H 1 3.783 0.01 A 33 GLY CA C 13 45.229 0.1 A 33 GLY N N 15 108.699 0.1 A 34 ALA H H 1 7.487 0.01 A 34 ALA HA H 1 4.363 0.01 A 34 ALA HB% H 1 1.246 0.01 A 34 ALA C C 13 177.1 0.1 A 34 ALA CA C 13 52.450 0.1 A 34 ALA CB C 13 20.205 0.1 A 34 ALA N N 15 123.078 0.1 A 35 THR H H 1 8.195 0.01 A 35 THR HA H 1 4.192 0.01 A 35 THR HB H 1 4.517 0.01 A 35 THR HG2% H 1 1.189 0.01 A 35 THR C C 13 175.3 0.1 A 35 THR CA C 13 60.036 0.1 A 35 THR CB C 13 70.850 0.1 A 35 THR CG2 C 13 21.673 0.1 A 35 THR N N 15 110.443 0.1 A 36 TYR H H 1 8.600 0.01 A 36 TYR HA H 1 3.999 0.01 A 36 TYR HBy H 1 2.234 0.01 A 36 TYR HBx H 1 1.995 0.01 A 36 TYR HDx H 1 6.486 0.01 A 36 TYR HDy H 1 6.486 0.01 A 36 TYR HEx H 1 6.647 0.01 A 36 TYR HEy H 1 6.647 0.01 A 36 TYR C C 13 177.7 0.1 A 36 TYR CA C 13 58.008 0.1 A 36 TYR CB C 13 34.156 0.1 A 36 TYR CDx C 13 130.845 0.1 A 36 TYR CDy C 13 130.845 0.1 A 36 TYR CEx C 13 118.105 0.1 A 36 TYR CEy C 13 118.105 0.1 A 36 TYR N N 15 119.208 0.1 A 37 GLU H H 1 8.050 0.01 A 37 GLU HA H 1 3.911 0.01 A 37 GLU HBy H 1 1.856 0.01 A 37 GLU HBx H 1 1.746 0.01 A 37 GLU HGy H 1 2.353 0.01 A 37 GLU HGx H 1 2.164 0.01 A 37 GLU C C 13 178.5 0.1 A 37 GLU CA C 13 59.453 0.1 A 37 GLU CB C 13 28.631 0.1 A 37 GLU CG C 13 35.375 0.1 A 37 GLU N N 15 116.754 0.1 A 38 GLN H H 1 7.505 0.01 A 38 GLN HA H 1 3.234 0.01 A 38 GLN HBy H 1 1.576 0.01 A 38 GLN HBx H 1 0.560 0.01 A 38 GLN HGy H 1 1.644 0.01 A 38 GLN HGx H 1 1.386 0.01 A 38 GLN C C 13 176.8 0.1 A 38 GLN CA C 13 58.322 0.1 A 38 GLN CB C 13 28.337 0.1 A 38 GLN CG C 13 34.250 0.1 A 38 GLN N N 15 120.128 0.1 A 39 ILE H H 1 7.678 0.01 A 39 ILE HA H 1 2.989 0.01 A 39 ILE HB H 1 1.815 0.01 A 39 ILE HD1% H 1 0.904 0.01 A 39 ILE HG1y H 1 1.614 0.01 A 39 ILE HG1x H 1 1.049 0.01 A 39 ILE HG2% H 1 1.238 0.01 A 39 ILE C C 13 176.9 0.1 A 39 ILE CA C 13 65.818 0.1 A 39 ILE CB C 13 37.643 0.1 A 39 ILE CD1 C 13 14.709 0.1 A 39 ILE CG1 C 13 30.028 0.1 A 39 ILE CG2 C 13 17.694 0.1 A 39 ILE N N 15 117.847 0.1 A 40 LYS H H 1 8.292 0.01 A 40 LYS HA H 1 3.536 0.01 A 40 LYS HBy H 1 2.133 0.01 A 40 LYS HBx H 1 1.863 0.01 A 40 LYS HDy H 1 1.606 0.01 A 40 LYS HDx H 1 1.541 0.01 A 40 LYS HEy H 1 2.873 0.01 A 40 LYS HEx H 1 2.822 0.01 A 40 LYS HG2 H 1 1.229 0.01 A 40 LYS HG3 H 1 1.229 0.01 A 40 LYS C C 13 177.2 0.1 A 40 LYS CA C 13 60.715 0.1 A 40 LYS CB C 13 32.294 0.1 A 40 LYS CD C 13 29.820 0.1 A 40 LYS CE C 13 41.492 0.1 A 40 LYS CG C 13 24.079 0.1 A 40 LYS N N 15 119.178 0.1 A 41 GLU H H 1 7.455 0.01 A 41 GLU HA H 1 3.891 0.01 A 41 GLU HB2 H 1 1.829 0.01 A 41 GLU HB3 H 1 1.829 0.01 A 41 GLU HGy H 1 2.425 0.01 A 41 GLU HGx H 1 2.134 0.01 A 41 GLU C C 13 179.9 0.1 A 41 GLU CA C 13 59.145 0.1 A 41 GLU CB C 13 28.384 0.1 A 41 GLU CG C 13 35.327 0.1 A 41 GLU N N 15 118.044 0.1 A 42 TRP H H 1 8.145 0.01 A 42 TRP HA H 1 4.421 0.01 A 42 TRP HBy H 1 2.476 0.01 A 42 TRP HBx H 1 2.442 0.01 A 42 TRP HD1 H 1 6.770 0.01 A 42 TRP HE1 H 1 9.806 0.01 A 42 TRP HE3 H 1 5.184 0.01 A 42 TRP HH2 H 1 6.885 0.01 A 42 TRP HZ2 H 1 7.171 0.01 A 42 TRP HZ3 H 1 6.055 0.01 A 42 TRP C C 13 180.3 0.1 A 42 TRP CA C 13 58.000 0.1 A 42 TRP CB C 13 27.703 0.1 A 42 TRP CD1 C 13 123.859 0.1 A 42 TRP CE3 C 13 119.000 0.1 A 42 TRP CH2 C 13 124.259 0.1 A 42 TRP CZ2 C 13 113.710 0.1 A 42 TRP CZ3 C 13 120.814 0.1 A 42 TRP N N 15 121.632 0.1 A 42 TRP NE1 N 15 127.525 0.1 A 43 ILE H H 1 8.636 0.01 A 43 ILE HA H 1 2.721 0.01 A 43 ILE HB H 1 1.622 0.01 A 43 ILE HD1% H 1 1.013 0.01 A 43 ILE HG1y H 1 0.839 0.01 A 43 ILE HG1x H 1 0.829 0.01 A 43 ILE HG2% H 1 0.503 0.01 A 43 ILE C C 13 177.1 0.1 A 43 ILE CA C 13 66.092 0.1 A 43 ILE CB C 13 37.323 0.1 A 43 ILE CD1 C 13 16.268 0.1 A 43 ILE CG1 C 13 28.676 0.1 A 43 ILE CG2 C 13 17.498 0.1 A 43 ILE N N 15 123.677 0.1 A 44 GLU H H 1 8.236 0.01 A 44 GLU HA H 1 3.222 0.01 A 44 GLU HBy H 1 2.271 0.01 A 44 GLU HBx H 1 1.894 0.01 A 44 GLU HGy H 1 2.548 0.01 A 44 GLU HGx H 1 2.014 0.01 A 44 GLU C C 13 179.3 0.1 A 44 GLU CA C 13 60.353 0.1 A 44 GLU CB C 13 28.689 0.1 A 44 GLU CG C 13 36.915 0.1 A 44 GLU N N 15 119.333 0.1 A 45 ASN H H 1 8.176 0.01 A 45 ASN HA H 1 4.493 0.01 A 45 ASN HBy H 1 2.919 0.01 A 45 ASN HBx H 1 2.781 0.01 A 45 ASN C C 13 178.3 0.1 A 45 ASN CA C 13 56.169 0.1 A 45 ASN CB C 13 38.814 0.1 A 45 ASN N N 15 116.671 0.1 A 46 ALA H H 1 7.680 0.01 A 46 ALA HA H 1 3.957 0.01 A 46 ALA HB% H 1 0.998 0.01 A 46 ALA C C 13 180 0.1 A 46 ALA CA C 13 54.967 0.1 A 46 ALA CB C 13 17.588 0.1 A 46 ALA N N 15 125.185 0.1 A 47 LEU H H 1 7.733 0.01 A 47 LEU HA H 1 3.986 0.01 A 47 LEU HBy H 1 1.036 0.01 A 47 LEU HBx H 1 0.924 0.01 A 47 LEU HDy% H 1 0.416 0.01 A 47 LEU HG H 1 1.130 0.01 A 47 LEU C C 13 177.6 0.1 A 47 LEU CA C 13 55.335 0.1 A 47 LEU CB C 13 42.328 0.1 A 47 LEU CDy C 13 24.621 0.1 A 47 LEU CG C 13 25.915 0.1 A 47 LEU N N 15 116.969 0.1 A 48 GLY H H 1 7.777 0.01 A 48 GLY HAy H 1 4.132 0.01 A 48 GLY HAx H 1 3.923 0.01 A 48 GLY CA C 13 45.641 0.1 A 48 GLY N N 15 107.154 0.1 A 49 TRP H H 1 8.115 0.01 A 49 TRP HA H 1 4.704 0.01 A 49 TRP HBy H 1 3.293 0.01 A 49 TRP HBx H 1 3.050 0.01 A 49 TRP HD1 H 1 6.885 0.01 A 49 TRP HE1 H 1 10.041 0.01 A 49 TRP HH2 H 1 7.154 0.01 A 49 TRP HZ2 H 1 7.381 0.01 A 49 TRP C C 13 175.4 0.1 A 49 TRP CA C 13 56.645 0.1 A 49 TRP CB C 13 29.639 0.1 A 49 TRP CD1 C 13 124.756 0.1 A 49 TRP CH2 C 13 124.599 0.1 A 49 TRP CZ2 C 13 114.380 0.1 A 49 TRP N N 15 121.073 0.1 A 49 TRP NE1 N 15 127.898 0.1 A 50 ARG H H 1 7.711 0.01 A 50 ARG HA H 1 4.186 0.01 A 50 ARG HBy H 1 1.801 0.01 A 50 ARG HBx H 1 1.671 0.01 A 50 ARG HD2 H 1 3.223 0.01 A 50 ARG HD3 H 1 3.223 0.01 A 50 ARG HG2 H 1 1.477 0.01 A 50 ARG HG3 H 1 1.477 0.01 A 50 ARG C C 13 180.2 0.1 A 50 ARG CA C 13 56.926 0.1 A 50 ARG CB C 13 32.039 0.1 A 50 ARG CD C 13 43.533 0.1 A 50 ARG CG C 13 27.051 0.1 A 50 ARG N N 15 124.595 0.1 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 2 ALA HA A 5 LEU H 1.0 0.0 4.18 2 2 A 2 ALA HA A 5 LEU HBy 1.0 0.0 4.23 3 3 A 5 LEU HDx% A 2 ALA HA 1.0 0.0 4.26 4 4 A 2 ALA HB% A 3 GLY H 1.0 0.0 4.11 5 5 A 2 ALA H A 2 ALA HB% 1.0 0.0 3.42 6 6 A 4 LEU HBx A 2 ALA H 1.0 0.0 5.70 7 7 A 2 ALA H A 5 LEU HBy 1.0 0.0 5.42 8 8 A 2 ALA H A 5 LEU HG 1.0 0.0 5.26 9 9 A 3 GLY HAx A 6 ARG HBx 1.0 0.0 4.99 10 9 A 3 GLY HAx A 6 ARG HBy 1.0 0.0 4.99 11 10 A 5 LEU H A 3 GLY HAy 1.0 0.0 4.97 12 11 A 3 GLY HAy A 6 ARG HBx 1.0 0.0 4.58 13 11 A 6 ARG HBy A 3 GLY HAy 1.0 0.0 4.58 14 12 A 3 GLY HAy A 6 ARG HDx 1.0 0.0 4.75 15 12 A 3 GLY HAy A 6 ARG HDy 1.0 0.0 4.75 16 13 A 3 GLY H A 4 LEU H 1.0 0.0 3.89 17 14 A 5 LEU HBy A 3 GLY H 1.0 0.0 5.57 18 15 A 4 LEU HA A 4 LEU HDx% 1.0 0.0 3.33 19 15 A 4 LEU HDy% A 4 LEU HA 1.0 0.0 3.33 20 16 A 4 LEU HA A 6 ARG H 1.0 0.0 5.23 21 17 A 4 LEU HA A 36 TYR HEx 1.0 0.0 4.76 22 18 A 4 LEU HBx A 30 LEU HDx% 1.0 0.0 4.89 23 18 A 4 LEU HBx A 30 LEU HDy% 1.0 0.0 4.89 24 19 A 4 LEU HBx A 36 TYR HEx 1.0 0.0 5.38 25 20 A 4 LEU HBy A 4 LEU HDy% 1.0 0.0 4.32 26 21 A 4 LEU HBy A 4 LEU HDx% 1.0 0.0 4.32 27 22 A 4 LEU HBy A 5 LEU H 1.0 0.0 5.08 28 23 A 4 LEU HBy A 30 LEU HDy% 1.0 0.0 4.75 29 24 A 4 LEU HBy A 30 LEU HDx% 1.0 0.0 4.75 30 25 A 4 LEU HBy A 30 LEU HDx% 1.0 0.0 4.06 31 25 A 4 LEU HBy A 30 LEU HDy% 1.0 0.0 4.06 32 26 A 4 LEU HBy A 36 TYR HEx 1.0 0.0 4.28 33 27 A 5 LEU HG A 4 LEU HDx% 1.0 0.0 4.06 34 27 A 4 LEU HDy% A 5 LEU HG 1.0 0.0 4.06 35 28 A 5 LEU HDy% A 4 LEU HDx% 1.0 0.0 2.99 36 28 A 4 LEU HDy% A 5 LEU HDy% 1.0 0.0 2.99 37 29 A 7 PHE HDx A 4 LEU HDx% 1.0 0.0 4.48 38 29 A 4 LEU HDy% A 7 PHE HDx 1.0 0.0 4.48 39 30 A 8 LEU H A 4 LEU HDx% 1.0 0.0 5.13 40 30 A 4 LEU HDy% A 8 LEU H 1.0 0.0 5.13 41 31 A 8 LEU HG A 4 LEU HDx% 1.0 0.0 3.76 42 31 A 4 LEU HDy% A 8 LEU HG 1.0 0.0 3.76 43 32 A 4 LEU HDy% A 8 LEU HDx% 1.0 0.0 3.05 44 32 A 4 LEU HDx% A 8 LEU HDx% 1.0 0.0 3.05 45 32 A 8 LEU HDy% A 4 LEU HDx% 1.0 0.0 3.05 46 32 A 4 LEU HDy% A 8 LEU HDy% 1.0 0.0 3.05 47 33 A 36 TYR HA A 4 LEU HDx% 1.0 0.0 3.52 48 33 A 4 LEU HDy% A 36 TYR HA 1.0 0.0 3.52 49 34 A 36 TYR HDx A 4 LEU HDx% 1.0 0.0 3.97 50 34 A 4 LEU HDy% A 36 TYR HDx 1.0 0.0 3.97 51 35 A 36 TYR HEx A 4 LEU HDx% 1.0 0.0 4.69 52 35 A 4 LEU HDy% A 36 TYR HEx 1.0 0.0 4.69 53 36 A 39 ILE HB A 4 LEU HDx% 1.0 0.0 4.48 54 36 A 4 LEU HDy% A 39 ILE HB 1.0 0.0 4.48 55 37 A 39 ILE HG2% A 4 LEU HDx% 1.0 0.0 3.81 56 37 A 4 LEU HDy% A 39 ILE HG2% 1.0 0.0 3.81 57 38 A 8 LEU HG A 4 LEU HDx% 1.0 0.0 4.88 58 39 A 4 LEU HDx% A 8 LEU HDx% 1.0 0.0 4.18 59 40 A 8 LEU HDy% A 4 LEU HDx% 1.0 0.0 4.18 60 41 A 4 LEU HDy% A 8 LEU HG 1.0 0.0 4.88 61 42 A 4 LEU HDy% A 8 LEU HDx% 1.0 0.0 4.18 62 43 A 4 LEU HDy% A 8 LEU HDy% 1.0 0.0 4.18 63 44 A 4 LEU HBx A 4 LEU H 1.0 0.0 3.53 64 45 A 4 LEU HBy A 4 LEU H 1.0 0.0 3.74 65 46 A 5 LEU H A 4 LEU H 1.0 0.0 3.92 66 47 A 4 LEU H A 30 LEU HDx% 1.0 0.0 4.91 67 47 A 30 LEU HDy% A 4 LEU H 1.0 0.0 4.91 68 48 A 5 LEU HG A 5 LEU HA 1.0 0.0 4.40 69 49 A 5 LEU HDy% A 5 LEU HA 1.0 0.0 3.15 70 50 A 8 LEU H A 5 LEU HA 1.0 0.0 4.41 71 51 A 5 LEU HA A 8 LEU HBx 1.0 0.0 3.97 72 51 A 5 LEU HA A 8 LEU HBy 1.0 0.0 3.97 73 52 A 5 LEU HA A 8 LEU HDx% 1.0 0.0 4.24 74 52 A 8 LEU HDy% A 5 LEU HA 1.0 0.0 4.24 75 53 A 5 LEU HA A 16 TYR HDy 1.0 0.0 4.66 76 54 A 5 LEU HA A 16 TYR HEy 1.0 0.0 4.90 77 55 A 5 LEU HDx% A 5 LEU HBx 1.0 0.0 4.04 78 56 A 5 LEU HDy% A 5 LEU HBx 1.0 0.0 3.54 79 57 A 6 ARG H A 5 LEU HBx 1.0 0.0 5.61 80 58 A 16 TYR HDy A 5 LEU HBx 1.0 0.0 4.99 81 59 A 16 TYR HEy A 5 LEU HBx 1.0 0.0 3.45 82 60 A 5 LEU HDx% A 5 LEU HBy 1.0 0.0 3.91 83 61 A 5 LEU HBy A 5 LEU HDy% 1.0 0.0 3.85 84 62 A 5 LEU HBy A 16 TYR HEy 1.0 0.0 4.75 85 63 A 5 LEU HDx% A 16 TYR HEy 1.0 0.0 4.95 86 64 A 5 LEU HDy% A 8 LEU HDx% 1.0 0.0 4.16 87 64 A 5 LEU HDy% A 8 LEU HDy% 1.0 0.0 4.16 88 65 A 5 LEU HDy% A 16 TYR HEy 1.0 0.0 4.24 89 66 A 5 LEU HDy% A 16 TYR HDy 1.0 0.0 4.16 90 67 A 5 LEU HDy% A 16 TYR HA 1.0 0.0 5.28 91 68 A 5 LEU HDy% A 19 ALA HB% 1.0 0.0 3.38 92 69 A 5 LEU H A 5 LEU HDy% 1.0 0.0 4.90 93 70 A 5 LEU HDx% A 5 LEU H 1.0 0.0 5.05 94 71 A 5 LEU H A 5 LEU HBx 1.0 0.0 4.35 95 72 A 5 LEU H A 5 LEU HBy 1.0 0.0 3.79 96 73 A 5 LEU H A 6 ARG H 1.0 0.0 4.27 97 74 A 5 LEU H A 8 LEU HDx% 1.0 0.0 5.63 98 74 A 5 LEU H A 8 LEU HDy% 1.0 0.0 5.63 99 75 A 6 ARG HA A 6 ARG HGy 1.0 0.0 3.79 100 75 A 6 ARG HA A 6 ARG HGx 1.0 0.0 3.79 101 76 A 6 ARG HA A 9 LEU HBx 1.0 0.0 4.45 102 77 A 6 ARG HA A 9 LEU HBy 1.0 0.0 4.83 103 78 A 6 ARG HA A 9 LEU H 1.0 0.0 4.32 104 79 A 6 ARG HA A 9 LEU HDx% 1.0 0.0 5.00 105 79 A 6 ARG HA A 9 LEU HDy% 1.0 0.0 5.00 106 80 A 6 ARG HBy A 6 ARG HDx 1.0 0.0 4.34 107 80 A 6 ARG HBx A 6 ARG HDx 1.0 0.0 4.34 108 81 A 6 ARG HDy A 6 ARG HBx 1.0 0.0 4.34 109 81 A 6 ARG HBy A 6 ARG HDy 1.0 0.0 4.34 110 82 A 7 PHE H A 6 ARG HBx 1.0 0.0 3.97 111 82 A 6 ARG HBy A 7 PHE H 1.0 0.0 3.97 112 83 A 7 PHE HA A 6 ARG HDx 1.0 0.0 3.94 113 83 A 6 ARG HDy A 7 PHE HA 1.0 0.0 3.94 114 84 A 6 ARG H A 6 ARG HBx 1.0 0.0 3.47 115 84 A 6 ARG HBy A 6 ARG H 1.0 0.0 3.47 116 85 A 6 ARG H A 6 ARG HGy 1.0 0.0 5.54 117 85 A 6 ARG H A 6 ARG HGx 1.0 0.0 5.54 118 86 A 6 ARG H A 7 PHE HBy 1.0 0.0 5.11 119 86 A 6 ARG H A 7 PHE HBx 1.0 0.0 5.11 120 87 A 7 PHE HA A 7 PHE HDy 1.0 0.0 4.53 121 88 A 8 LEU H A 7 PHE HBy 1.0 0.0 3.79 122 88 A 8 LEU H A 7 PHE HBx 1.0 0.0 3.79 123 89 A 7 PHE HBx A 36 TYR HBy 1.0 0.0 4.35 124 89 A 7 PHE HBy A 36 TYR HBy 1.0 0.0 4.35 125 89 A 36 TYR HBx A 7 PHE HBy 1.0 0.0 4.35 126 89 A 7 PHE HBx A 36 TYR HBx 1.0 0.0 4.35 127 90 A 36 TYR HDy A 7 PHE HBy 1.0 0.0 5.25 128 90 A 7 PHE HBx A 36 TYR HDy 1.0 0.0 5.25 129 91 A 8 LEU H A 7 PHE HBx 1.0 0.0 4.62 130 92 A 8 LEU H A 7 PHE HBy 1.0 0.0 4.62 131 93 A 7 PHE HDx A 8 LEU HG 1.0 0.0 5.44 132 94 A 7 PHE HDx A 8 LEU H 1.0 0.0 4.51 133 95 A 7 PHE HDx A 8 LEU HDx% 1.0 0.0 4.96 134 95 A 7 PHE HDx A 8 LEU HDy% 1.0 0.0 4.96 135 96 A 7 PHE HEx A 11 LYS HEy 1.0 0.0 4.93 136 97 A 7 PHE HEx A 11 LYS HEx 1.0 0.0 4.93 137 98 A 7 PHE HEx A 11 LYS HBy 1.0 0.0 5.03 138 99 A 7 PHE HEx A 11 LYS HGx 1.0 0.0 4.63 139 99 A 7 PHE HEx A 11 LYS HGy 1.0 0.0 4.63 140 100 A 7 PHE HEx A 11 LYS HEx 1.0 0.0 4.11 141 100 A 7 PHE HEx A 11 LYS HEy 1.0 0.0 4.11 142 101 A 7 PHE HEx A 37 GLU HA 1.0 0.0 4.22 143 102 A 7 PHE HEx A 37 GLU HBy 1.0 0.0 4.55 144 102 A 7 PHE HEx A 37 GLU HBx 1.0 0.0 4.55 145 103 A 7 PHE HEx A 37 GLU HGy 1.0 0.0 4.98 146 103 A 7 PHE HEx A 37 GLU HGx 1.0 0.0 4.98 147 104 A 7 PHE HEx A 40 LYS HBx 1.0 0.0 4.81 148 105 A 7 PHE HEx A 40 LYS H 1.0 0.0 5.19 149 106 A 7 PHE H A 7 PHE HBx 1.0 0.0 3.77 150 107 A 7 PHE H A 7 PHE HBy 1.0 0.0 3.77 151 108 A 7 PHE H A 7 PHE HBy 1.0 0.0 3.26 152 108 A 7 PHE H A 7 PHE HBx 1.0 0.0 3.26 153 109 A 8 LEU H A 7 PHE H 1.0 0.0 4.06 154 110 A 8 LEU HA A 8 LEU HDx% 1.0 0.0 3.12 155 110 A 8 LEU HDy% A 8 LEU HA 1.0 0.0 3.12 156 111 A 11 LYS HBy A 8 LEU HA 1.0 0.0 4.71 157 112 A 8 LEU HA A 11 LYS H 1.0 0.0 4.81 158 113 A 8 LEU HA A 15 LEU HDx% 1.0 0.0 3.74 159 114 A 8 LEU HBx A 8 LEU HDx% 1.0 0.0 2.85 160 114 A 8 LEU HBy A 8 LEU HDx% 1.0 0.0 2.85 161 114 A 8 LEU HDy% A 8 LEU HBx 1.0 0.0 2.85 162 114 A 8 LEU HDy% A 8 LEU HBy 1.0 0.0 2.85 163 115 A 9 LEU H A 8 LEU HBx 1.0 0.0 4.17 164 115 A 8 LEU HBy A 9 LEU H 1.0 0.0 4.17 165 116 A 15 LEU HDx% A 8 LEU HBx 1.0 0.0 4.03 166 116 A 8 LEU HBy A 15 LEU HDx% 1.0 0.0 4.03 167 117 A 16 TYR HA A 8 LEU HBx 1.0 0.0 4.48 168 118 A 8 LEU HBy A 16 TYR HA 1.0 0.0 4.48 169 119 A 8 LEU HDx% A 15 LEU HBx 1.0 0.0 3.40 170 119 A 8 LEU HDy% A 15 LEU HBx 1.0 0.0 3.40 171 119 A 15 LEU HBy A 8 LEU HDx% 1.0 0.0 3.40 172 119 A 8 LEU HDy% A 15 LEU HBy 1.0 0.0 3.40 173 120 A 15 LEU HDy% A 8 LEU HDx% 1.0 0.0 4.01 174 120 A 8 LEU HDy% A 15 LEU HDy% 1.0 0.0 4.01 175 121 A 16 TYR H A 8 LEU HDx% 1.0 0.0 5.64 176 121 A 8 LEU HDy% A 16 TYR H 1.0 0.0 5.64 177 122 A 16 TYR HA A 8 LEU HDx% 1.0 0.0 4.16 178 122 A 8 LEU HDy% A 16 TYR HA 1.0 0.0 4.16 179 123 A 18 TRP HBx A 8 LEU HDx% 1.0 0.0 4.45 180 123 A 8 LEU HDy% A 18 TRP HBx 1.0 0.0 4.45 181 124 A 18 TRP HD1 A 8 LEU HDx% 1.0 0.0 4.19 182 124 A 8 LEU HDy% A 18 TRP HD1 1.0 0.0 4.19 183 125 A 19 ALA HB% A 8 LEU HDx% 1.0 0.0 3.98 184 125 A 8 LEU HDy% A 19 ALA HB% 1.0 0.0 3.98 185 126 A 40 LYS HA A 8 LEU HDx% 1.0 0.0 4.07 186 126 A 8 LEU HDy% A 40 LYS HA 1.0 0.0 4.07 187 127 A 40 LYS HBy A 8 LEU HDx% 1.0 0.0 3.72 188 127 A 8 LEU HDy% A 40 LYS HBy 1.0 0.0 3.72 189 128 A 40 LYS HBx A 8 LEU HDx% 1.0 0.0 3.76 190 128 A 8 LEU HDy% A 40 LYS HBx 1.0 0.0 3.76 191 129 A 8 LEU HDx% A 40 LYS HG2 1.0 0.0 4.25 192 129 A 8 LEU HDy% A 40 LYS HG2 1.0 0.0 4.25 193 129 A 40 LYS HG3 A 8 LEU HDx% 1.0 0.0 4.25 194 129 A 8 LEU HDy% A 40 LYS HG3 1.0 0.0 4.25 195 130 A 8 LEU HDy% A 40 LYS HDy 1.0 0.0 4.07 196 130 A 8 LEU HDx% A 40 LYS HDy 1.0 0.0 4.07 197 130 A 40 LYS HDx A 8 LEU HDx% 1.0 0.0 4.07 198 130 A 8 LEU HDy% A 40 LYS HDx 1.0 0.0 4.07 199 131 A 43 ILE HD1% A 8 LEU HDx% 1.0 0.0 4.31 200 131 A 8 LEU HDy% A 43 ILE HD1% 1.0 0.0 4.31 201 132 A 16 TYR HA A 8 LEU HDx% 1.0 0.0 4.78 202 133 A 18 TRP HD1 A 8 LEU HDx% 1.0 0.0 4.87 203 134 A 19 ALA H A 8 LEU HDx% 1.0 0.0 5.70 204 135 A 8 LEU HDy% A 16 TYR HA 1.0 0.0 4.78 205 136 A 8 LEU HDy% A 18 TRP HD1 1.0 0.0 4.87 206 137 A 8 LEU HDy% A 19 ALA H 1.0 0.0 5.70 207 138 A 8 LEU HG A 39 ILE HG2% 1.0 0.0 5.49 208 139 A 8 LEU HG A 40 LYS HG2 1.0 0.0 5.70 209 139 A 8 LEU HG A 40 LYS HG3 1.0 0.0 5.70 210 140 A 8 LEU H A 8 LEU HG 1.0 0.0 4.31 211 141 A 8 LEU H A 8 LEU HDx% 1.0 0.0 4.25 212 141 A 8 LEU H A 8 LEU HDy% 1.0 0.0 4.25 213 142 A 8 LEU H A 9 LEU H 1.0 0.0 4.30 214 143 A 9 LEU HA A 9 LEU HDx% 1.0 0.0 3.30 215 143 A 9 LEU HDy% A 9 LEU HA 1.0 0.0 3.30 216 144 A 9 LEU HA A 16 TYR HDx 1.0 0.0 5.56 217 145 A 16 TYR HDy A 9 LEU HA 1.0 0.0 5.70 218 146 A 9 LEU HA A 16 TYR HBx 1.0 0.0 4.43 219 147 A 9 LEU HA A 16 TYR HBy 1.0 0.0 3.91 220 148 A 9 LEU HBx A 10 SER H 1.0 0.0 4.32 221 149 A 9 LEU HBx A 16 TYR HBy 1.0 0.0 5.51 222 150 A 16 TYR HDy A 9 LEU HBx 1.0 0.0 5.49 223 151 A 9 LEU HBy A 9 LEU HDy% 1.0 0.0 4.37 224 152 A 9 LEU HBy A 9 LEU HDx% 1.0 0.0 4.37 225 153 A 9 LEU HBy A 11 LYS H 1.0 0.0 5.70 226 154 A 16 TYR HDy A 9 LEU HBy 1.0 0.0 4.58 227 155 A 9 LEU HBy A 16 TYR HBx 1.0 0.0 5.41 228 156 A 9 LEU HBy A 16 TYR HBy 1.0 0.0 4.44 229 157 A 16 TYR HEy A 9 LEU HBy 1.0 0.0 4.38 230 158 A 13 ARG HA A 9 LEU HDx% 1.0 0.0 3.48 231 158 A 9 LEU HDy% A 13 ARG HA 1.0 0.0 3.48 232 159 A 9 LEU HDx% A 13 ARG HB2 1.0 0.0 4.64 233 159 A 9 LEU HDy% A 13 ARG HB2 1.0 0.0 4.64 234 159 A 13 ARG HB3 A 9 LEU HDx% 1.0 0.0 4.64 235 159 A 9 LEU HDy% A 13 ARG HB3 1.0 0.0 4.64 236 160 A 9 LEU HDy% A 13 ARG HGy 1.0 0.0 4.02 237 160 A 9 LEU HDx% A 13 ARG HGy 1.0 0.0 4.02 238 160 A 13 ARG HGx A 9 LEU HDx% 1.0 0.0 4.02 239 160 A 9 LEU HDy% A 13 ARG HGx 1.0 0.0 4.02 240 161 A 9 LEU HDy% A 13 ARG HDy 1.0 0.0 4.48 241 161 A 9 LEU HDx% A 13 ARG HDy 1.0 0.0 4.48 242 161 A 13 ARG HDx A 9 LEU HDx% 1.0 0.0 4.48 243 161 A 9 LEU HDy% A 13 ARG HDx 1.0 0.0 4.48 244 162 A 16 TYR HBy A 9 LEU HDx% 1.0 0.0 4.55 245 162 A 9 LEU HDy% A 16 TYR HBy 1.0 0.0 4.55 246 163 A 16 TYR HBx A 9 LEU HDx% 1.0 0.0 4.63 247 163 A 9 LEU HDy% A 16 TYR HBx 1.0 0.0 4.63 248 164 A 16 TYR HDx A 9 LEU HDx% 1.0 0.0 4.42 249 164 A 9 LEU HDy% A 16 TYR HDx 1.0 0.0 4.42 250 165 A 16 TYR HEx A 9 LEU HDx% 1.0 0.0 5.01 251 165 A 9 LEU HDy% A 16 TYR HEx 1.0 0.0 5.01 252 166 A 16 TYR HEy A 9 LEU HDx% 1.0 0.0 5.64 253 166 A 16 TYR HEy A 9 LEU HDy% 1.0 0.0 5.64 254 167 A 16 TYR HEx A 9 LEU HDx% 1.0 0.0 5.70 255 168 A 9 LEU HDy% A 16 TYR HEx 1.0 0.0 5.70 256 169 A 9 LEU HBx A 9 LEU H 1.0 0.0 3.77 257 170 A 9 LEU HBy A 9 LEU H 1.0 0.0 3.63 258 171 A 9 LEU H A 9 LEU HDx% 1.0 0.0 5.70 259 172 A 9 LEU H A 9 LEU HDy% 1.0 0.0 5.70 260 173 A 9 LEU H A 10 SER H 1.0 0.0 4.15 261 174 A 16 TYR HDy A 9 LEU H 1.0 0.0 4.59 262 175 A 10 SER HA A 10 SER HB2 1.0 0.0 2.91 263 175 A 10 SER HA A 10 SER HB3 1.0 0.0 2.91 264 176 A 11 LYS H A 10 SER HB2 1.0 0.0 4.70 265 176 A 11 LYS H A 10 SER HB3 1.0 0.0 4.70 266 177 A 10 SER H A 10 SER HB2 1.0 0.0 3.61 267 177 A 10 SER H A 10 SER HB3 1.0 0.0 3.61 268 178 A 11 LYS HBy A 10 SER H 1.0 0.0 5.19 269 179 A 10 SER H A 11 LYS HGx 1.0 0.0 5.44 270 179 A 11 LYS HGy A 10 SER H 1.0 0.0 5.44 271 180 A 11 LYS HBy A 15 LEU HDx% 1.0 0.0 4.20 272 181 A 11 LYS HGy A 11 LYS H 1.0 0.0 4.73 273 182 A 11 LYS H A 11 LYS HGx 1.0 0.0 4.73 274 183 A 11 LYS H A 11 LYS HGx 1.0 0.0 3.87 275 183 A 11 LYS HGy A 11 LYS H 1.0 0.0 3.87 276 184 A 11 LYS H A 12 GLY H 1.0 0.0 3.61 277 185 A 11 LYS H A 15 LEU HDx% 1.0 0.0 5.70 278 186 A 12 GLY HAx A 13 ARG H 1.0 0.0 3.47 279 187 A 12 GLY HAx A 14 ALA H 1.0 0.0 4.35 280 188 A 15 LEU HDx% A 12 GLY HAy 1.0 0.0 4.68 281 189 A 16 TYR HBx A 13 ARG HA 1.0 0.0 3.87 282 190 A 14 ALA H A 13 ARG HB2 1.0 0.0 4.34 283 190 A 13 ARG HB3 A 14 ALA H 1.0 0.0 4.34 284 191 A 13 ARG H A 13 ARG HB2 1.0 0.0 3.66 285 191 A 13 ARG HB3 A 13 ARG H 1.0 0.0 3.66 286 192 A 13 ARG H A 14 ALA HA 1.0 0.0 4.96 287 193 A 13 ARG H A 14 ALA HB% 1.0 0.0 3.91 288 194 A 14 ALA HA A 17 ASN HB2 1.0 0.0 4.10 289 194 A 14 ALA HA A 17 ASN HB3 1.0 0.0 4.10 290 195 A 14 ALA H A 14 ALA HB% 1.0 0.0 3.41 291 196 A 14 ALA H A 15 LEU H 1.0 0.0 4.10 292 197 A 15 LEU HDy% A 15 LEU HA 1.0 0.0 3.96 293 198 A 15 LEU HA A 18 TRP HBy 1.0 0.0 4.42 294 199 A 18 TRP HBx A 15 LEU HA 1.0 0.0 4.79 295 200 A 15 LEU HA A 18 TRP H 1.0 0.0 4.71 296 201 A 15 LEU HA A 43 ILE HG2% 1.0 0.0 3.53 297 202 A 43 ILE HD1% A 15 LEU HA 1.0 0.0 5.17 298 203 A 15 LEU HA A 47 LEU HD11 1.0 0.0 4.86 299 203 A 15 LEU HA A 47 LEU HDy% 1.0 0.0 4.86 300 204 A 16 TYR H A 15 LEU HBx 1.0 0.0 3.73 301 204 A 15 LEU HBy A 16 TYR H 1.0 0.0 3.73 302 205 A 16 TYR HA A 15 LEU HBx 1.0 0.0 5.01 303 205 A 16 TYR HA A 15 LEU HBy 1.0 0.0 5.01 304 206 A 43 ILE HG2% A 15 LEU HBx 1.0 0.0 4.15 305 206 A 15 LEU HBy A 43 ILE HG2% 1.0 0.0 4.15 306 207 A 43 ILE HD1% A 15 LEU HBx 1.0 0.0 4.76 307 207 A 15 LEU HBy A 43 ILE HD1% 1.0 0.0 4.76 308 208 A 15 LEU HDx% A 15 LEU HBx 1.0 0.0 4.26 309 209 A 15 LEU HDy% A 15 LEU HBx 1.0 0.0 4.20 310 210 A 43 ILE HG2% A 15 LEU HBx 1.0 0.0 4.76 311 211 A 15 LEU HDx% A 15 LEU HBy 1.0 0.0 4.26 312 212 A 15 LEU HBy A 15 LEU HDy% 1.0 0.0 4.20 313 213 A 15 LEU HBy A 43 ILE HG2% 1.0 0.0 4.76 314 214 A 15 LEU HDx% A 16 TYR H 1.0 0.0 5.70 315 215 A 40 LYS HBx A 15 LEU HDx% 1.0 0.0 4.63 316 216 A 15 LEU HDx% A 40 LYS HG2 1.0 0.0 4.47 317 216 A 15 LEU HDx% A 40 LYS HG3 1.0 0.0 4.47 318 217 A 15 LEU HDx% A 40 LYS HA 1.0 0.0 4.53 319 218 A 15 LEU HDx% A 40 LYS HBy 1.0 0.0 4.49 320 219 A 40 LYS H A 15 LEU HDx% 1.0 0.0 5.18 321 220 A 15 LEU HDx% A 40 LYS HEy 1.0 0.0 5.08 322 220 A 15 LEU HDx% A 40 LYS HEx 1.0 0.0 5.08 323 221 A 15 LEU HDy% A 40 LYS HG2 1.0 0.0 4.37 324 221 A 15 LEU HDy% A 40 LYS HG3 1.0 0.0 4.37 325 222 A 15 LEU HDy% A 40 LYS HA 1.0 0.0 4.99 326 223 A 15 LEU HDy% A 40 LYS HDy 1.0 0.0 3.59 327 223 A 15 LEU HDy% A 40 LYS HDx 1.0 0.0 3.59 328 224 A 15 LEU HDy% A 44 GLU HGy 1.0 0.0 3.75 329 225 A 15 LEU HDy% A 44 GLU HA 1.0 0.0 4.36 330 226 A 15 LEU HDy% A 44 GLU HGx 1.0 0.0 5.04 331 227 A 15 LEU HDy% A 44 GLU H 1.0 0.0 4.79 332 228 A 15 LEU H A 15 LEU HG 1.0 0.0 3.75 333 229 A 15 LEU HDx% A 15 LEU H 1.0 0.0 4.60 334 230 A 15 LEU HDy% A 15 LEU H 1.0 0.0 5.11 335 231 A 15 LEU H A 15 LEU HBx 1.0 0.0 3.66 336 231 A 15 LEU HBy A 15 LEU H 1.0 0.0 3.66 337 232 A 16 TYR H A 15 LEU H 1.0 0.0 3.74 338 233 A 40 LYS HBy A 15 LEU H 1.0 0.0 5.70 339 234 A 16 TYR HDy A 16 TYR HA 1.0 0.0 3.81 340 235 A 16 TYR HA A 19 ALA HB% 1.0 0.0 4.20 341 236 A 16 TYR HDx A 16 TYR HBx 1.0 0.0 3.56 342 237 A 16 TYR HBx A 17 ASN H 1.0 0.0 3.93 343 238 A 16 TYR HDy A 16 TYR HBy 1.0 0.0 3.67 344 239 A 16 TYR HBy A 17 ASN H 1.0 0.0 5.08 345 240 A 16 TYR HDx A 17 ASN HA 1.0 0.0 4.77 346 241 A 16 TYR HDx A 17 ASN H 1.0 0.0 4.19 347 242 A 16 TYR HEx A 20 LYS HD2 1.0 0.0 4.67 348 242 A 16 TYR HEx A 20 LYS HD3 1.0 0.0 4.67 349 243 A 16 TYR H A 16 TYR HDx 1.0 0.0 5.31 350 244 A 16 TYR HDy A 16 TYR H 1.0 0.0 5.70 351 245 A 16 TYR H A 16 TYR HBx 1.0 0.0 3.59 352 246 A 16 TYR H A 16 TYR HBy 1.0 0.0 3.88 353 247 A 16 TYR H A 17 ASN H 1.0 0.0 4.10 354 248 A 17 ASN HA A 20 LYS H 1.0 0.0 4.94 355 249 A 17 ASN HA A 20 LYS HBy 1.0 0.0 4.03 356 249 A 17 ASN HA A 20 LYS HBx 1.0 0.0 4.03 357 250 A 18 TRP H A 17 ASN HB2 1.0 0.0 4.04 358 250 A 17 ASN HB3 A 18 TRP H 1.0 0.0 4.04 359 251 A 17 ASN HB2 A 20 LYS HBy 1.0 0.0 4.80 360 251 A 17 ASN HB3 A 20 LYS HBy 1.0 0.0 4.80 361 251 A 20 LYS HBx A 17 ASN HB2 1.0 0.0 4.80 362 251 A 17 ASN HB3 A 20 LYS HBx 1.0 0.0 4.80 363 252 A 17 ASN H A 17 ASN HB2 1.0 0.0 3.61 364 252 A 17 ASN HB3 A 17 ASN H 1.0 0.0 3.61 365 253 A 18 TRP H A 17 ASN H 1.0 0.0 4.27 366 254 A 20 LYS H A 18 TRP HA 1.0 0.0 4.91 367 255 A 18 TRP HA A 21 SER H 1.0 0.0 5.48 368 256 A 18 TRP HBx A 19 ALA H 1.0 0.0 4.66 369 257 A 18 TRP HBx A 43 ILE HG2% 1.0 0.0 4.39 370 258 A 18 TRP HBy A 43 ILE HG2% 1.0 0.0 4.00 371 259 A 18 TRP HE1 A 25 LYS HBx 1.0 0.0 5.70 372 260 A 18 TRP HE1 A 25 LYS HBy 1.0 0.0 5.70 373 261 A 18 TRP HE1 A 25 LYS HGy 1.0 0.0 4.63 374 261 A 18 TRP HE1 A 25 LYS HGx 1.0 0.0 4.63 375 262 A 18 TRP HBx A 18 TRP H 1.0 0.0 3.53 376 263 A 19 ALA H A 18 TRP H 1.0 0.0 3.85 377 264 A 18 TRP HZ2 A 25 LYS HA 1.0 0.0 5.70 378 265 A 18 TRP HZ2 A 25 LYS HBx 1.0 0.0 4.52 379 266 A 18 TRP HZ2 A 25 LYS HBy 1.0 0.0 4.52 380 267 A 19 ALA HA A 26 VAL HGy% 1.0 0.0 3.44 381 268 A 26 VAL HGx% A 19 ALA HA 1.0 0.0 5.62 382 269 A 19 ALA HB% A 20 LYS H 1.0 0.0 4.16 383 270 A 19 ALA HB% A 26 VAL HGy% 1.0 0.0 3.40 384 271 A 19 ALA HB% A 19 ALA H 1.0 0.0 3.58 385 272 A 19 ALA H A 20 LYS H 1.0 0.0 4.11 386 273 A 19 ALA H A 20 LYS HBy 1.0 0.0 5.40 387 273 A 19 ALA H A 20 LYS HBx 1.0 0.0 5.40 388 274 A 43 ILE HD1% A 19 ALA H 1.0 0.0 5.03 389 275 A 19 ALA H A 43 ILE HG2% 1.0 0.0 5.58 390 276 A 20 LYS HA A 20 LYS HD2 1.0 0.0 4.14 391 276 A 20 LYS HD3 A 20 LYS HA 1.0 0.0 4.14 392 277 A 20 LYS HA A 20 LYS HGy 1.0 0.0 3.71 393 277 A 20 LYS HA A 20 LYS HGx 1.0 0.0 3.71 394 278 A 21 SER H A 20 LYS HBy 1.0 0.0 4.17 395 278 A 20 LYS HBx A 21 SER H 1.0 0.0 4.17 396 279 A 20 LYS H A 20 LYS HBy 1.0 0.0 3.39 397 279 A 20 LYS H A 20 LYS HBx 1.0 0.0 3.39 398 280 A 20 LYS H A 20 LYS HGy 1.0 0.0 4.71 399 280 A 20 LYS H A 20 LYS HGx 1.0 0.0 4.71 400 281 A 20 LYS H A 21 SER H 1.0 0.0 4.13 401 282 A 22 HIS H A 21 SER HBx 1.0 0.0 4.39 402 282 A 21 SER HBy A 22 HIS H 1.0 0.0 4.39 403 283 A 23 VAL H A 22 HIS HBy 1.0 0.0 4.45 404 283 A 22 HIS HBx A 23 VAL H 1.0 0.0 4.45 405 284 A 22 HIS HBx A 23 VAL HGy% 1.0 0.0 5.48 406 284 A 22 HIS HBy A 23 VAL HGy% 1.0 0.0 5.48 407 284 A 23 VAL HGx% A 22 HIS HBy 1.0 0.0 5.48 408 284 A 23 VAL HGx% A 22 HIS HBx 1.0 0.0 5.48 409 285 A 25 LYS H A 22 HIS HBy 1.0 0.0 5.54 410 285 A 22 HIS HBx A 25 LYS H 1.0 0.0 5.54 411 286 A 22 HIS HBx A 25 LYS HBx 1.0 0.0 4.27 412 286 A 22 HIS HBy A 25 LYS HBx 1.0 0.0 4.27 413 286 A 25 LYS HBy A 22 HIS HBy 1.0 0.0 4.27 414 286 A 22 HIS HBx A 25 LYS HBy 1.0 0.0 4.27 415 287 A 22 HIS HBx A 23 VAL H 1.0 0.0 5.06 416 288 A 23 VAL H A 22 HIS HBy 1.0 0.0 5.06 417 289 A 22 HIS H A 23 VAL HA 1.0 0.0 4.54 418 290 A 22 HIS H A 23 VAL HGy% 1.0 0.0 5.70 419 291 A 23 VAL HGx% A 22 HIS H 1.0 0.0 5.70 420 292 A 22 HIS H A 23 VAL HGy% 1.0 0.0 4.41 421 292 A 23 VAL HGx% A 22 HIS H 1.0 0.0 4.41 422 293 A 23 VAL HGx% A 23 VAL HA 1.0 0.0 4.03 423 294 A 23 VAL HA A 23 VAL HGy% 1.0 0.0 4.03 424 295 A 25 LYS H A 23 VAL HA 1.0 0.0 4.81 425 296 A 26 VAL HB A 23 VAL HA 1.0 0.0 4.03 426 297 A 26 VAL HGy% A 23 VAL HA 1.0 0.0 3.89 427 298 A 23 VAL HA A 26 VAL H 1.0 0.0 4.50 428 299 A 23 VAL HB A 24 GLY H 1.0 0.0 4.76 429 300 A 24 GLY H A 23 VAL HGy% 1.0 0.0 4.63 430 300 A 23 VAL HGx% A 24 GLY H 1.0 0.0 4.63 431 301 A 23 VAL HGy% A 24 GLY HAy 1.0 0.0 4.77 432 301 A 23 VAL HGx% A 24 GLY HAy 1.0 0.0 4.77 433 301 A 24 GLY HAx A 23 VAL HGy% 1.0 0.0 4.77 434 301 A 23 VAL HGx% A 24 GLY HAx 1.0 0.0 4.77 435 302 A 25 LYS H A 23 VAL HGy% 1.0 0.0 5.64 436 302 A 23 VAL HGx% A 25 LYS H 1.0 0.0 5.64 437 303 A 26 VAL H A 23 VAL HGy% 1.0 0.0 5.23 438 303 A 23 VAL HGx% A 26 VAL H 1.0 0.0 5.23 439 304 A 26 VAL HGy% A 23 VAL HGy% 1.0 0.0 4.36 440 304 A 23 VAL HGx% A 26 VAL HGy% 1.0 0.0 4.36 441 305 A 23 VAL HGx% A 24 GLY H 1.0 0.0 5.28 442 306 A 24 GLY H A 23 VAL HGy% 1.0 0.0 5.28 443 307 A 23 VAL HB A 23 VAL H 1.0 0.0 3.81 444 308 A 23 VAL H A 23 VAL HGy% 1.0 0.0 4.01 445 308 A 23 VAL HGx% A 23 VAL H 1.0 0.0 4.01 446 309 A 23 VAL H A 24 GLY H 1.0 0.0 4.54 447 310 A 25 LYS H A 24 GLY H 1.0 0.0 3.97 448 311 A 25 LYS HA A 25 LYS HD2 1.0 0.0 3.90 449 311 A 25 LYS HA A 25 LYS HD3 1.0 0.0 3.90 450 312 A 25 LYS HA A 25 LYS HEy 1.0 0.0 5.07 451 312 A 25 LYS HA A 25 LYS HEx 1.0 0.0 5.07 452 313 A 25 LYS HA A 28 GLU HB2 1.0 0.0 3.96 453 313 A 25 LYS HA A 28 GLU HB3 1.0 0.0 3.96 454 314 A 26 VAL H A 25 LYS HBx 1.0 0.0 3.96 455 314 A 25 LYS HBy A 26 VAL H 1.0 0.0 3.96 456 315 A 29 TRP HH2 A 25 LYS HBx 1.0 0.0 5.19 457 315 A 25 LYS HBy A 29 TRP HH2 1.0 0.0 5.19 458 316 A 29 TRP HZ2 A 25 LYS HD2 1.0 0.0 4.41 459 316 A 25 LYS HD3 A 29 TRP HZ2 1.0 0.0 4.41 460 317 A 29 TRP HE1 A 25 LYS HD2 1.0 0.0 5.53 461 317 A 25 LYS HD3 A 29 TRP HE1 1.0 0.0 5.53 462 318 A 29 TRP HZ2 A 25 LYS HGy 1.0 0.0 5.37 463 318 A 25 LYS HGx A 29 TRP HZ2 1.0 0.0 5.37 464 319 A 25 LYS H A 25 LYS HBy 1.0 0.0 3.78 465 320 A 25 LYS H A 25 LYS HBx 1.0 0.0 3.78 466 321 A 25 LYS H A 25 LYS HGy 1.0 0.0 5.22 467 321 A 25 LYS HGx A 25 LYS H 1.0 0.0 5.22 468 322 A 25 LYS H A 26 VAL H 1.0 0.0 4.13 469 323 A 26 VAL HGx% A 26 VAL HA 1.0 0.0 3.70 470 324 A 26 VAL HGy% A 26 VAL HA 1.0 0.0 3.43 471 325 A 26 VAL HB A 27 TRP H 1.0 0.0 4.03 472 326 A 27 TRP H A 26 VAL HGx% 1.0 0.0 4.86 473 327 A 27 TRP H A 26 VAL HGy% 1.0 0.0 5.21 474 328 A 26 VAL HGx% A 26 VAL H 1.0 0.0 4.65 475 329 A 26 VAL HB A 26 VAL H 1.0 0.0 3.72 476 330 A 26 VAL HGy% A 26 VAL H 1.0 0.0 3.70 477 331 A 27 TRP H A 26 VAL H 1.0 0.0 3.87 478 332 A 27 TRP HD1 A 27 TRP HBy 1.0 0.0 3.53 479 332 A 27 TRP HD1 A 27 TRP HBx 1.0 0.0 3.53 480 333 A 27 TRP HBx A 29 TRP H 1.0 0.0 5.70 481 334 A 29 TRP H A 27 TRP HBy 1.0 0.0 5.70 482 335 A 27 TRP H A 27 TRP HBy 1.0 0.0 3.65 483 335 A 27 TRP H A 27 TRP HBx 1.0 0.0 3.65 484 336 A 27 TRP H A 28 GLU H 1.0 0.0 4.05 485 337 A 28 GLU HA A 31 LYS HB2 1.0 0.0 3.94 486 337 A 28 GLU HA A 31 LYS HB3 1.0 0.0 3.94 487 338 A 28 GLU HA A 31 LYS H 1.0 0.0 5.02 488 339 A 29 TRP HZ3 A 28 GLU HB2 1.0 0.0 4.69 489 339 A 28 GLU HB3 A 29 TRP HZ3 1.0 0.0 4.69 490 340 A 29 TRP H A 28 GLU HB2 1.0 0.0 3.88 491 340 A 28 GLU HB3 A 29 TRP H 1.0 0.0 3.88 492 341 A 29 TRP HH2 A 28 GLU HGy 1.0 0.0 5.31 493 341 A 29 TRP HH2 A 28 GLU HGx 1.0 0.0 5.31 494 342 A 28 GLU H A 28 GLU HB2 1.0 0.0 3.41 495 342 A 28 GLU HB3 A 28 GLU H 1.0 0.0 3.41 496 343 A 28 GLU H A 28 GLU HGy 1.0 0.0 4.79 497 343 A 28 GLU H A 28 GLU HGx 1.0 0.0 4.79 498 344 A 28 GLU H A 29 TRP HBy 1.0 0.0 5.62 499 345 A 29 TRP H A 28 GLU H 1.0 0.0 3.98 500 346 A 28 GLU H A 30 LEU H 1.0 0.0 5.70 501 347 A 30 LEU H A 29 TRP HBx 1.0 0.0 4.09 502 348 A 29 TRP HBx A 34 ALA HB% 1.0 0.0 4.60 503 349 A 29 TRP HBx A 35 THR H 1.0 0.0 5.70 504 350 A 29 TRP HBx A 39 ILE H 1.0 0.0 5.70 505 351 A 39 ILE HG2% A 29 TRP HBx 1.0 0.0 4.89 506 352 A 29 TRP HBx A 39 ILE HG1x 1.0 0.0 4.53 507 352 A 29 TRP HBx A 39 ILE HG1y 1.0 0.0 4.53 508 353 A 29 TRP HBy A 30 LEU H 1.0 0.0 4.54 509 354 A 29 TRP HBy A 30 LEU HDx% 1.0 0.0 4.53 510 354 A 30 LEU HDy% A 29 TRP HBy 1.0 0.0 4.53 511 355 A 29 TRP HBy A 34 ALA HB% 1.0 0.0 4.09 512 356 A 39 ILE HG2% A 29 TRP HBy 1.0 0.0 4.80 513 357 A 29 TRP HBy A 39 ILE HG1x 1.0 0.0 4.74 514 358 A 29 TRP HBy A 39 ILE HD1% 1.0 0.0 4.85 515 359 A 29 TRP HBy A 39 ILE HG1y 1.0 0.0 4.74 516 360 A 29 TRP HBy A 39 ILE HG1x 1.0 0.0 4.07 517 360 A 29 TRP HBy A 39 ILE HG1y 1.0 0.0 4.07 518 361 A 29 TRP HBy A 42 TRP HZ3 1.0 0.0 5.20 519 362 A 34 ALA HB% A 29 TRP HD1 1.0 0.0 5.64 520 363 A 29 TRP HH2 A 42 TRP HBy 1.0 0.0 5.70 521 364 A 29 TRP H A 29 TRP HD1 1.0 0.0 5.56 522 365 A 29 TRP H A 29 TRP HBx 1.0 0.0 4.36 523 366 A 29 TRP H A 29 TRP HBy 1.0 0.0 4.32 524 367 A 29 TRP H A 30 LEU H 1.0 0.0 4.13 525 368 A 29 TRP H A 34 ALA HB% 1.0 0.0 5.64 526 369 A 39 ILE HG2% A 29 TRP HZ3 1.0 0.0 5.46 527 370 A 30 LEU HA A 30 LEU HDx% 1.0 0.0 4.72 528 371 A 30 LEU HDy% A 30 LEU HA 1.0 0.0 4.72 529 372 A 30 LEU HA A 30 LEU HDx% 1.0 0.0 3.20 530 372 A 30 LEU HDy% A 30 LEU HA 1.0 0.0 3.20 531 373 A 31 LYS H A 30 LEU HBx 1.0 0.0 4.16 532 373 A 31 LYS H A 30 LEU HBy 1.0 0.0 4.16 533 374 A 30 LEU HDy% A 30 LEU HBx 1.0 0.0 4.34 534 375 A 30 LEU HBx A 30 LEU HDx% 1.0 0.0 4.34 535 376 A 30 LEU HDy% A 30 LEU HBy 1.0 0.0 4.34 536 377 A 30 LEU HBy A 30 LEU HDx% 1.0 0.0 4.34 537 378 A 36 TYR HDx A 30 LEU HDx% 1.0 0.0 4.29 538 378 A 30 LEU HDy% A 36 TYR HDx 1.0 0.0 4.29 539 379 A 36 TYR HEx A 30 LEU HDx% 1.0 0.0 3.68 540 379 A 30 LEU HDy% A 36 TYR HEx 1.0 0.0 3.68 541 380 A 36 TYR HEx A 30 LEU HDx% 1.0 0.0 4.36 542 381 A 30 LEU HDy% A 36 TYR HEx 1.0 0.0 4.36 543 382 A 30 LEU H A 30 LEU HG 1.0 0.0 4.19 544 383 A 30 LEU H A 30 LEU HBx 1.0 0.0 3.57 545 383 A 30 LEU H A 30 LEU HBy 1.0 0.0 3.57 546 384 A 30 LEU H A 30 LEU HDx% 1.0 0.0 4.48 547 384 A 30 LEU HDy% A 30 LEU H 1.0 0.0 4.48 548 385 A 31 LYS HA A 31 LYS HGy 1.0 0.0 4.39 549 386 A 31 LYS HA A 31 LYS HD2 1.0 0.0 4.92 550 386 A 31 LYS HA A 31 LYS HD3 1.0 0.0 4.92 551 387 A 31 LYS HA A 31 LYS HGx 1.0 0.0 4.39 552 388 A 31 LYS HA A 31 LYS HGx 1.0 0.0 3.81 553 388 A 31 LYS HA A 31 LYS HGy 1.0 0.0 3.81 554 389 A 31 LYS HB3 A 31 LYS HD2 1.0 0.0 3.89 555 389 A 31 LYS HD3 A 31 LYS HB2 1.0 0.0 3.89 556 389 A 31 LYS HB3 A 31 LYS HD3 1.0 0.0 3.89 557 389 A 31 LYS HB2 A 31 LYS HD2 1.0 0.0 3.89 558 390 A 32 SER H A 31 LYS HB2 1.0 0.0 4.28 559 390 A 31 LYS HB3 A 32 SER H 1.0 0.0 4.28 560 391 A 31 LYS H A 31 LYS HB2 1.0 0.0 3.42 561 391 A 31 LYS HB3 A 31 LYS H 1.0 0.0 3.42 562 392 A 31 LYS H A 31 LYS HGy 1.0 0.0 5.36 563 393 A 31 LYS H A 31 LYS HD2 1.0 0.0 5.30 564 393 A 31 LYS H A 31 LYS HD3 1.0 0.0 5.30 565 394 A 31 LYS H A 31 LYS HGx 1.0 0.0 5.36 566 395 A 31 LYS H A 31 LYS HGx 1.0 0.0 4.61 567 395 A 31 LYS H A 31 LYS HGy 1.0 0.0 4.61 568 396 A 31 LYS H A 32 SER H 1.0 0.0 4.02 569 397 A 33 GLY H A 32 SER HBx 1.0 0.0 4.15 570 397 A 32 SER HBy A 33 GLY H 1.0 0.0 4.15 571 398 A 33 GLY H A 32 SER HBx 1.0 0.0 4.72 572 399 A 32 SER HBy A 33 GLY H 1.0 0.0 4.72 573 400 A 32 SER H A 32 SER HBx 1.0 0.0 3.57 574 400 A 32 SER H A 32 SER HBy 1.0 0.0 3.57 575 401 A 32 SER H A 33 GLY HAy 1.0 0.0 5.39 576 402 A 32 SER H A 33 GLY HAx 1.0 0.0 5.39 577 403 A 32 SER H A 33 GLY HAy 1.0 0.0 4.76 578 403 A 32 SER H A 33 GLY HAx 1.0 0.0 4.76 579 404 A 33 GLY H A 34 ALA H 1.0 0.0 3.77 580 405 A 34 ALA HB% A 33 GLY H 1.0 0.0 5.66 581 406 A 34 ALA HA A 35 THR HG2% 1.0 0.0 4.87 582 407 A 35 THR H A 34 ALA HA 1.0 0.0 3.40 583 408 A 34 ALA HB% A 35 THR H 1.0 0.0 3.75 584 409 A 34 ALA HB% A 38 GLN H 1.0 0.0 5.41 585 410 A 34 ALA HB% A 38 GLN HBy 1.0 0.0 4.59 586 410 A 34 ALA HB% A 38 GLN HBx 1.0 0.0 4.59 587 411 A 34 ALA HB% A 39 ILE HD1% 1.0 0.0 3.59 588 412 A 39 ILE HB A 34 ALA HB% 1.0 0.0 5.52 589 413 A 34 ALA HB% A 39 ILE HA 1.0 0.0 4.96 590 414 A 34 ALA HB% A 39 ILE H 1.0 0.0 4.97 591 415 A 34 ALA HB% A 39 ILE HG1x 1.0 0.0 3.32 592 415 A 34 ALA HB% A 39 ILE HG1y 1.0 0.0 3.32 593 416 A 34 ALA HB% A 42 TRP HE3 1.0 0.0 5.29 594 417 A 34 ALA HB% A 42 TRP HZ3 1.0 0.0 3.62 595 418 A 34 ALA HB% A 42 TRP HZ2 1.0 0.0 5.70 596 419 A 34 ALA HB% A 42 TRP HH2 1.0 0.0 3.81 597 420 A 34 ALA HB% A 34 ALA H 1.0 0.0 3.50 598 421 A 35 THR HG2% A 35 THR HA 1.0 0.0 3.39 599 422 A 35 THR HA A 36 TYR H 1.0 0.0 3.39 600 423 A 36 TYR H A 35 THR HB 1.0 0.0 3.73 601 424 A 35 THR HB A 37 GLU H 1.0 0.0 4.14 602 425 A 35 THR HG2% A 36 TYR H 1.0 0.0 4.78 603 426 A 35 THR H A 35 THR HG2% 1.0 0.0 4.25 604 427 A 35 THR H A 38 GLN HBx 1.0 0.0 4.81 605 428 A 35 THR H A 38 GLN HBy 1.0 0.0 4.81 606 429 A 35 THR H A 38 GLN H 1.0 0.0 5.56 607 430 A 35 THR H A 38 GLN HBy 1.0 0.0 4.25 608 430 A 35 THR H A 38 GLN HBx 1.0 0.0 4.25 609 431 A 35 THR H A 38 GLN HGy 1.0 0.0 5.54 610 431 A 35 THR H A 38 GLN HGx 1.0 0.0 5.54 611 432 A 35 THR H A 39 ILE HG1x 1.0 0.0 5.03 612 432 A 35 THR H A 39 ILE HG1y 1.0 0.0 5.03 613 433 A 36 TYR HEx A 36 TYR HA 1.0 0.0 4.97 614 434 A 36 TYR HA A 36 TYR HDx 1.0 0.0 3.62 615 435 A 36 TYR HA A 39 ILE HD1% 1.0 0.0 4.39 616 436 A 36 TYR HA A 39 ILE HB 1.0 0.0 4.11 617 437 A 36 TYR HA A 39 ILE H 1.0 0.0 5.05 618 438 A 37 GLU H A 36 TYR HBy 1.0 0.0 4.07 619 438 A 36 TYR HBx A 37 GLU H 1.0 0.0 4.07 620 439 A 36 TYR HDx A 36 TYR H 1.0 0.0 4.37 621 440 A 36 TYR HDy A 36 TYR H 1.0 0.0 4.61 622 441 A 36 TYR H A 36 TYR HBy 1.0 0.0 3.67 623 441 A 36 TYR HBx A 36 TYR H 1.0 0.0 3.67 624 442 A 36 TYR H A 37 GLU H 1.0 0.0 4.17 625 443 A 37 GLU HA A 37 GLU HGy 1.0 0.0 3.75 626 443 A 37 GLU HA A 37 GLU HGx 1.0 0.0 3.75 627 444 A 37 GLU HA A 40 LYS HBx 1.0 0.0 5.04 628 445 A 37 GLU HA A 40 LYS H 1.0 0.0 4.57 629 446 A 38 GLN H A 37 GLU HBy 1.0 0.0 4.15 630 446 A 37 GLU HBx A 38 GLN H 1.0 0.0 4.15 631 447 A 38 GLN H A 37 GLU HGy 1.0 0.0 5.15 632 447 A 37 GLU HGx A 38 GLN H 1.0 0.0 5.15 633 448 A 37 GLU H A 37 GLU HBy 1.0 0.0 3.65 634 448 A 37 GLU HBx A 37 GLU H 1.0 0.0 3.65 635 449 A 38 GLN H A 37 GLU H 1.0 0.0 4.14 636 450 A 38 GLN HA A 38 GLN HGy 1.0 0.0 4.41 637 451 A 38 GLN HGx A 38 GLN HA 1.0 0.0 4.41 638 452 A 38 GLN HA A 38 GLN HGy 1.0 0.0 3.57 639 452 A 38 GLN HGx A 38 GLN HA 1.0 0.0 3.57 640 453 A 38 GLN HA A 41 GLU HA 1.0 0.0 5.40 641 454 A 38 GLN HA A 41 GLU HB2 1.0 0.0 3.74 642 454 A 38 GLN HA A 41 GLU HB3 1.0 0.0 3.74 643 455 A 38 GLN HA A 41 GLU H 1.0 0.0 4.72 644 456 A 38 GLN HA A 42 TRP H 1.0 0.0 5.67 645 457 A 39 ILE H A 38 GLN HBy 1.0 0.0 4.61 646 457 A 39 ILE H A 38 GLN HBx 1.0 0.0 4.61 647 458 A 38 GLN HBx A 41 GLU H 1.0 0.0 5.70 648 459 A 41 GLU H A 38 GLN HBy 1.0 0.0 5.70 649 460 A 41 GLU H A 38 GLN HGy 1.0 0.0 4.94 650 460 A 38 GLN HGx A 41 GLU H 1.0 0.0 4.94 651 461 A 42 TRP HD1 A 38 GLN HGy 1.0 0.0 4.97 652 461 A 38 GLN HGx A 42 TRP HD1 1.0 0.0 4.97 653 462 A 42 TRP HE3 A 38 GLN HGy 1.0 0.0 5.23 654 462 A 42 TRP HE3 A 38 GLN HGx 1.0 0.0 5.23 655 463 A 42 TRP HZ2 A 38 GLN HGy 1.0 0.0 5.18 656 463 A 42 TRP HZ2 A 38 GLN HGx 1.0 0.0 5.18 657 464 A 38 GLN HGx A 41 GLU H 1.0 0.0 5.70 658 465 A 38 GLN HGx A 42 TRP HD1 1.0 0.0 5.70 659 466 A 41 GLU H A 38 GLN HGy 1.0 0.0 5.70 660 467 A 42 TRP HD1 A 38 GLN HGy 1.0 0.0 5.70 661 468 A 38 GLN H A 38 GLN HBy 1.0 0.0 4.24 662 469 A 38 GLN H A 38 GLN HBx 1.0 0.0 4.24 663 470 A 38 GLN H A 38 GLN HBy 1.0 0.0 3.51 664 470 A 38 GLN H A 38 GLN HBx 1.0 0.0 3.51 665 471 A 38 GLN H A 38 GLN HGy 1.0 0.0 4.78 666 471 A 38 GLN H A 38 GLN HGx 1.0 0.0 4.78 667 472 A 39 ILE H A 38 GLN H 1.0 0.0 4.10 668 473 A 39 ILE HG1y A 39 ILE HA 1.0 0.0 3.95 669 474 A 39 ILE HG2% A 39 ILE HA 1.0 0.0 3.56 670 475 A 39 ILE HA A 39 ILE HG1x 1.0 0.0 3.95 671 476 A 39 ILE HD1% A 39 ILE HA 1.0 0.0 4.65 672 477 A 39 ILE HA A 39 ILE HG1x 1.0 0.0 3.37 673 477 A 39 ILE HG1y A 39 ILE HA 1.0 0.0 3.37 674 478 A 39 ILE HA A 42 TRP HE3 1.0 0.0 3.86 675 479 A 42 TRP HBy A 39 ILE HA 1.0 0.0 4.05 676 480 A 39 ILE HA A 42 TRP H 1.0 0.0 4.73 677 481 A 39 ILE HB A 39 ILE HD1% 1.0 0.0 3.91 678 482 A 40 LYS H A 39 ILE HG1x 1.0 0.0 5.33 679 482 A 40 LYS H A 39 ILE HG1y 1.0 0.0 5.33 680 483 A 42 TRP HE3 A 39 ILE HG1x 1.0 0.0 4.56 681 483 A 39 ILE HG1y A 42 TRP HE3 1.0 0.0 4.56 682 484 A 39 ILE HG2% A 39 ILE HD1% 1.0 0.0 3.61 683 485 A 39 ILE HG2% A 39 ILE HG1x 1.0 0.0 3.86 684 486 A 39 ILE HG2% A 39 ILE HG1y 1.0 0.0 3.86 685 487 A 39 ILE HG2% A 40 LYS HA 1.0 0.0 3.95 686 488 A 39 ILE HG2% A 43 ILE HD1% 1.0 0.0 2.84 687 489 A 39 ILE HG2% A 43 ILE HG1y 1.0 0.0 5.69 688 490 A 39 ILE HG2% A 43 ILE HG1x 1.0 0.0 5.69 689 491 A 39 ILE HG2% A 43 ILE H 1.0 0.0 5.70 690 492 A 39 ILE HG2% A 43 ILE HG1x 1.0 0.0 5.00 691 492 A 39 ILE HG2% A 43 ILE HG1y 1.0 0.0 5.00 692 493 A 39 ILE HG2% A 39 ILE H 1.0 0.0 4.01 693 494 A 39 ILE HB A 39 ILE H 1.0 0.0 3.49 694 495 A 39 ILE H A 39 ILE HG1x 1.0 0.0 3.36 695 495 A 39 ILE H A 39 ILE HG1y 1.0 0.0 3.36 696 496 A 39 ILE H A 40 LYS HG2 1.0 0.0 5.60 697 496 A 40 LYS HG3 A 39 ILE H 1.0 0.0 5.60 698 497 A 40 LYS H A 39 ILE H 1.0 0.0 4.15 699 498 A 40 LYS HA A 40 LYS HG2 1.0 0.0 4.25 700 498 A 40 LYS HA A 40 LYS HG3 1.0 0.0 4.25 701 499 A 40 LYS HA A 41 GLU HA 1.0 0.0 5.17 702 500 A 40 LYS HA A 43 ILE HB 1.0 0.0 4.20 703 501 A 40 LYS HA A 43 ILE HD1% 1.0 0.0 4.59 704 502 A 40 LYS HA A 43 ILE H 1.0 0.0 4.99 705 503 A 40 LYS HA A 44 GLU H 1.0 0.0 4.64 706 504 A 40 LYS HBx A 41 GLU H 1.0 0.0 4.48 707 505 A 40 LYS HBy A 41 GLU HA 1.0 0.0 4.64 708 506 A 40 LYS HBy A 44 GLU HBx 1.0 0.0 3.83 709 507 A 40 LYS HBy A 44 GLU HGy 1.0 0.0 3.92 710 508 A 40 LYS HBy A 44 GLU H 1.0 0.0 4.23 711 509 A 41 GLU H A 40 LYS HG2 1.0 0.0 4.84 712 509 A 40 LYS HG3 A 41 GLU H 1.0 0.0 4.84 713 510 A 44 GLU HGx A 40 LYS HG2 1.0 0.0 5.42 714 510 A 40 LYS HG3 A 44 GLU HGx 1.0 0.0 5.42 715 511 A 40 LYS H A 40 LYS HG2 1.0 0.0 4.23 716 511 A 40 LYS H A 40 LYS HG3 1.0 0.0 4.23 717 512 A 40 LYS H A 40 LYS HBy 1.0 0.0 3.97 718 513 A 40 LYS HBx A 40 LYS H 1.0 0.0 3.59 719 514 A 40 LYS H A 40 LYS HDy 1.0 0.0 5.54 720 514 A 40 LYS H A 40 LYS HDx 1.0 0.0 5.54 721 515 A 40 LYS H A 41 GLU H 1.0 0.0 4.12 722 516 A 40 LYS H A 43 ILE HB 1.0 0.0 5.70 723 517 A 41 GLU HA A 42 TRP HA 1.0 0.0 4.95 724 518 A 41 GLU HA A 44 GLU HBx 1.0 0.0 4.59 725 519 A 44 GLU H A 41 GLU HA 1.0 0.0 4.87 726 520 A 41 GLU HA A 45 ASN H 1.0 0.0 4.91 727 521 A 42 TRP HD1 A 41 GLU HB2 1.0 0.0 4.34 728 521 A 41 GLU HB3 A 42 TRP HD1 1.0 0.0 4.34 729 522 A 42 TRP H A 41 GLU HB2 1.0 0.0 3.84 730 522 A 41 GLU HB3 A 42 TRP H 1.0 0.0 3.84 731 523 A 44 GLU HGx A 41 GLU HB2 1.0 0.0 4.64 732 523 A 44 GLU HGx A 41 GLU HB3 1.0 0.0 4.64 733 524 A 42 TRP HD1 A 41 GLU HGy 1.0 0.0 5.24 734 524 A 42 TRP HD1 A 41 GLU HGx 1.0 0.0 5.24 735 525 A 41 GLU H A 41 GLU HB2 1.0 0.0 3.33 736 525 A 41 GLU HB3 A 41 GLU H 1.0 0.0 3.33 737 526 A 41 GLU H A 41 GLU HGy 1.0 0.0 4.59 738 526 A 41 GLU H A 41 GLU HGx 1.0 0.0 4.59 739 527 A 41 GLU H A 42 TRP H 1.0 0.0 3.89 740 528 A 44 GLU HGy A 41 GLU H 1.0 0.0 4.74 741 529 A 42 TRP HD1 A 42 TRP HA 1.0 0.0 3.44 742 530 A 42 TRP HA A 45 ASN H 1.0 0.0 4.89 743 531 A 42 TRP HD1 A 42 TRP HBx 1.0 0.0 4.07 744 532 A 42 TRP HBy A 42 TRP HE3 1.0 0.0 3.78 745 533 A 42 TRP HBy A 43 ILE H 1.0 0.0 4.28 746 534 A 44 GLU H A 42 TRP HBy 1.0 0.0 5.68 747 535 A 42 TRP H A 42 TRP HD1 1.0 0.0 4.28 748 536 A 42 TRP HBy A 42 TRP H 1.0 0.0 3.53 749 537 A 42 TRP H A 43 ILE HB 1.0 0.0 5.48 750 538 A 42 TRP H A 43 ILE H 1.0 0.0 4.01 751 539 A 43 ILE HG1y A 43 ILE HA 1.0 0.0 4.28 752 540 A 43 ILE HA A 43 ILE HG1x 1.0 0.0 4.28 753 541 A 43 ILE HG2% A 43 ILE HA 1.0 0.0 3.70 754 542 A 43 ILE HD1% A 43 ILE HA 1.0 0.0 4.76 755 543 A 43 ILE HA A 43 ILE HG1x 1.0 0.0 3.77 756 543 A 43 ILE HG1y A 43 ILE HA 1.0 0.0 3.77 757 544 A 43 ILE HA A 46 ALA HB% 1.0 0.0 3.68 758 545 A 43 ILE HA A 47 LEU H 1.0 0.0 4.98 759 546 A 43 ILE HD1% A 43 ILE HB 1.0 0.0 3.89 760 547 A 44 GLU H A 43 ILE HB 1.0 0.0 4.12 761 548 A 43 ILE HB A 45 ASN H 1.0 0.0 5.70 762 549 A 43 ILE HD1% A 43 ILE HG2% 1.0 0.0 3.41 763 550 A 43 ILE HG2% A 43 ILE HG1x 1.0 0.0 3.49 764 550 A 43 ILE HG2% A 43 ILE HG1y 1.0 0.0 3.49 765 551 A 43 ILE HG2% A 47 LEU HG 1.0 0.0 5.00 766 552 A 43 ILE HG2% A 47 LEU HD11 1.0 0.0 3.94 767 552 A 43 ILE HG2% A 47 LEU HDy% 1.0 0.0 3.94 768 553 A 43 ILE HG2% A 43 ILE H 1.0 0.0 4.89 769 554 A 43 ILE HD1% A 43 ILE H 1.0 0.0 4.53 770 555 A 43 ILE H A 43 ILE HB 1.0 0.0 3.73 771 556 A 43 ILE H A 43 ILE HG1x 1.0 0.0 4.32 772 556 A 43 ILE H A 43 ILE HG1y 1.0 0.0 4.32 773 557 A 44 GLU H A 43 ILE H 1.0 0.0 3.86 774 558 A 44 GLU HA A 44 GLU HGx 1.0 0.0 4.40 775 559 A 44 GLU HA A 47 LEU HBy 1.0 0.0 4.18 776 560 A 44 GLU HA A 47 LEU HBx 1.0 0.0 4.80 777 561 A 44 GLU HA A 47 LEU H 1.0 0.0 4.71 778 562 A 44 GLU HBx A 45 ASN H 1.0 0.0 4.22 779 563 A 45 ASN H A 44 GLU HBy 1.0 0.0 4.60 780 564 A 44 GLU HGx A 45 ASN H 1.0 0.0 4.28 781 565 A 44 GLU HGy A 45 ASN H 1.0 0.0 4.88 782 566 A 44 GLU HGx A 44 GLU H 1.0 0.0 3.72 783 567 A 44 GLU H A 44 GLU HBx 1.0 0.0 3.79 784 568 A 44 GLU HGy A 44 GLU H 1.0 0.0 4.30 785 569 A 44 GLU H A 45 ASN HBx 1.0 0.0 4.72 786 569 A 44 GLU H A 45 ASN HBy 1.0 0.0 4.72 787 570 A 45 ASN HA A 48 GLY H 1.0 0.0 5.19 788 571 A 46 ALA H A 45 ASN HBx 1.0 0.0 3.74 789 571 A 45 ASN HBy A 46 ALA H 1.0 0.0 3.74 790 572 A 47 LEU H A 45 ASN HBx 1.0 0.0 5.23 791 572 A 47 LEU H A 45 ASN HBy 1.0 0.0 5.23 792 573 A 46 ALA H A 45 ASN HBx 1.0 0.0 4.50 793 574 A 45 ASN HBy A 46 ALA H 1.0 0.0 4.50 794 575 A 45 ASN H A 45 ASN HBy 1.0 0.0 4.12 795 576 A 45 ASN H A 45 ASN HBx 1.0 0.0 4.12 796 577 A 45 ASN H A 45 ASN HBx 1.0 0.0 3.49 797 577 A 45 ASN H A 45 ASN HBy 1.0 0.0 3.49 798 578 A 45 ASN H A 46 ALA H 1.0 0.0 4.13 799 579 A 46 ALA HB% A 47 LEU H 1.0 0.0 3.74 800 580 A 46 ALA HB% A 46 ALA H 1.0 0.0 3.47 801 581 A 47 LEU HBy A 46 ALA H 1.0 0.0 4.61 802 582 A 47 LEU HBx A 46 ALA H 1.0 0.0 5.70 803 583 A 47 LEU HBx A 48 GLY H 1.0 0.0 4.51 804 584 A 47 LEU HBy A 48 GLY H 1.0 0.0 4.68 805 585 A 47 LEU H A 47 LEU HBy 1.0 0.0 3.47 806 586 A 47 LEU H A 47 LEU HD11 1.0 0.0 5.35 807 586 A 47 LEU HDy% A 47 LEU H 1.0 0.0 5.35 808 587 A 48 GLY H A 49 TRP H 1.0 0.0 3.67 809 588 A 49 TRP H A 49 TRP HD1 1.0 0.0 5.28 810 589 A 49 TRP H A 49 TRP HBy 1.0 0.0 4.39 811 590 A 49 TRP H A 49 TRP HBx 1.0 0.0 4.39 812 591 A 49 TRP H A 49 TRP HBy 1.0 0.0 3.60 813 591 A 49 TRP H A 49 TRP HBx 1.0 0.0 3.60 814 592 A 49 TRP H A 50 ARG H 1.0 0.0 4.62 815 593 A 50 ARG HBx A 50 ARG HG2 1.0 0.0 3.16 816 593 A 50 ARG HBx A 50 ARG HG3 1.0 0.0 3.16 817 594 A 50 ARG HBy A 50 ARG HG2 1.0 0.0 3.16 818 594 A 50 ARG HG3 A 50 ARG HBy 1.0 0.0 3.16 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type undefined 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 ALA N A 2 ALA CA A 2 ALA C A 3 GLY N 1.0 -54.2 -32.2 PSI 2 2 A 2 ALA C A 3 GLY N A 3 GLY CA A 3 GLY C 1.0 -77.5 -55.7 PHI 3 3 A 3 GLY N A 3 GLY CA A 3 GLY C A 4 LEU N 1.0 -49.1 -26.7 PSI 4 4 A 3 GLY C A 4 LEU N A 4 LEU CA A 4 LEU C 1.0 -73.9 -53.9 PHI 5 5 A 4 LEU N A 4 LEU CA A 4 LEU C A 5 LEU N 1.0 -47.9 -25.9 PSI 6 6 A 4 LEU C A 5 LEU N A 5 LEU CA A 5 LEU C 1.0 -66.9 -46.9 PHI 7 7 A 5 LEU N A 5 LEU CA A 5 LEU C A 6 ARG N 1.0 -54.2 -32.2 PSI 8 8 A 5 LEU C A 6 ARG N A 6 ARG CA A 6 ARG C 1.0 -71.8 -51.8 PHI 9 9 A 6 ARG N A 6 ARG CA A 6 ARG C A 7 PHE N 1.0 -54.3 -32.3 PSI 10 10 A 6 ARG C A 7 PHE N A 7 PHE CA A 7 PHE C 1.0 -73.2 -53.2 PHI 11 11 A 7 PHE N A 7 PHE CA A 7 PHE C A 8 LEU N 1.0 -53.9 -31.9 PSI 12 12 A 7 PHE C A 8 LEU N A 8 LEU CA A 8 LEU C 1.0 -72.2 -52.2 PHI 13 13 A 8 LEU N A 8 LEU CA A 8 LEU C A 9 LEU N 1.0 -54.1 -32.1 PSI 14 14 A 8 LEU C A 9 LEU N A 9 LEU CA A 9 LEU C 1.0 -70.4 -50.4 PHI 15 15 A 9 LEU N A 9 LEU CA A 9 LEU C A 10 SER N 1.0 -53.9 -31.9 PSI 16 16 A 9 LEU C A 10 SER N A 10 SER CA A 10 SER C 1.0 -74.3 -54.3 PHI 17 17 A 10 SER N A 10 SER CA A 10 SER C A 11 LYS N 1.0 -36.2 -14.2 PSI 18 18 A 10 SER C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -96.2 -76.2 PHI 19 19 A 13 ARG N A 13 ARG CA A 13 ARG C A 14 ALA N 1.0 -52.7 -30.7 PSI 20 20 A 13 ARG C A 14 ALA N A 14 ALA CA A 14 ALA C 1.0 -74.6 -54.6 PHI 21 21 A 14 ALA N A 14 ALA CA A 14 ALA C A 15 LEU N 1.0 -51.9 -29.9 PSI 22 22 A 14 ALA C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -72.5 -52.5 PHI 23 23 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 TYR N 1.0 -56.7 -34.7 PSI 24 24 A 15 LEU C A 16 TYR N A 16 TYR CA A 16 TYR C 1.0 -72.0 -52.0 PHI 25 25 A 16 TYR N A 16 TYR CA A 16 TYR C A 17 ASN N 1.0 -51.6 -29.6 PSI 26 26 A 16 TYR C A 17 ASN N A 17 ASN CA A 17 ASN C 1.0 -75.8 -55.8 PHI 27 27 A 17 ASN N A 17 ASN CA A 17 ASN C A 18 TRP N 1.0 -45.0 -23.0 PSI 28 28 A 17 ASN C A 18 TRP N A 18 TRP CA A 18 TRP C 1.0 -74.4 -54.4 PHI 29 29 A 18 TRP N A 18 TRP CA A 18 TRP C A 19 ALA N 1.0 -54.8 -32.8 PSI 30 30 A 18 TRP C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -72.7 -53.7 PHI 31 31 A 19 ALA N A 19 ALA CA A 19 ALA C A 20 LYS N 1.0 -51.0 -30.0 PSI 32 32 A 19 ALA C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -95.2 -38.4 PHI 33 33 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 SER N 1.0 -60.4 0.8 PSI 34 34 A 20 LYS C A 21 SER N A 21 SER CA A 21 SER C 1.0 -121.6 -61.6 PHI 35 35 A 21 SER N A 21 SER CA A 21 SER C A 22 HIS N 1.0 -43.1 20.7 PSI 36 36 A 21 SER C A 22 HIS N A 22 HIS CA A 22 HIS C 1.0 -159.1 -99.1 PHI 37 37 A 22 HIS N A 22 HIS CA A 22 HIS C A 23 VAL N 1.0 47.6 111.4 PSI 38 38 A 22 HIS C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -68.7 -48.7 PHI 39 39 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 GLY N 1.0 -49.8 -27.8 PSI 40 40 A 23 VAL C A 24 GLY N A 24 GLY CA A 24 GLY C 1.0 -71.8 -50.0 PHI 41 41 A 24 GLY N A 24 GLY CA A 24 GLY C A 25 LYS N 1.0 -53.1 -30.7 PSI 42 42 A 24 GLY C A 25 LYS N A 25 LYS CA A 25 LYS C 1.0 -74.3 -54.3 PHI 43 43 A 25 LYS N A 25 LYS CA A 25 LYS C A 26 VAL N 1.0 -53.3 -31.3 PSI 44 44 A 25 LYS C A 26 VAL N A 26 VAL CA A 26 VAL C 1.0 -71.0 -51.0 PHI 45 45 A 26 VAL N A 26 VAL CA A 26 VAL C A 27 TRP N 1.0 -50.2 -28.2 PSI 46 46 A 26 VAL C A 27 TRP N A 27 TRP CA A 27 TRP C 1.0 -74.3 -54.3 PHI 47 47 A 27 TRP N A 27 TRP CA A 27 TRP C A 28 GLU N 1.0 -54.7 -32.7 PSI 48 48 A 27 TRP C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -71.6 -51.6 PHI 49 49 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 TRP N 1.0 -56.3 -34.3 PSI 50 50 A 28 GLU C A 29 TRP N A 29 TRP CA A 29 TRP C 1.0 -81.0 -61.0 PHI 51 51 A 29 TRP N A 29 TRP CA A 29 TRP C A 30 LEU N 1.0 -48.8 -26.8 PSI 52 52 A 29 TRP C A 30 LEU N A 30 LEU CA A 30 LEU C 1.0 -74.5 -54.5 PHI 53 53 A 30 LEU N A 30 LEU CA A 30 LEU C A 31 LYS N 1.0 -53.2 -31.2 PSI 54 54 A 30 LEU C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -93.0 -33.0 PHI 55 55 A 31 LYS N A 31 LYS CA A 31 LYS C A 32 SER N 1.0 -67.6 -3.8 PSI 56 56 A 31 LYS C A 32 SER N A 32 SER CA A 32 SER C 1.0 -133.2 -33.2 PHI 57 57 A 32 SER N A 32 SER CA A 32 SER C A 33 GLY N 1.0 -59.8 44.0 PSI 58 58 A 32 SER C A 33 GLY N A 33 GLY CA A 33 GLY C 1.0 22.9 131.7 PHI 59 59 A 33 GLY N A 33 GLY CA A 33 GLY C A 34 ALA N 1.0 -34.3 71.7 PSI 60 60 A 33 GLY C A 34 ALA N A 34 ALA CA A 34 ALA C 1.0 -132.5 -32.5 PHI 61 61 A 34 ALA N A 34 ALA CA A 34 ALA C A 35 THR N 1.0 102.9 206.7 PSI 62 62 A 34 ALA C A 35 THR N A 35 THR CA A 35 THR C 1.0 -120.6 -44.8 PHI 63 63 A 35 THR N A 35 THR CA A 35 THR C A 36 TYR N 1.0 118.4 198.8 PSI 64 64 A 35 THR C A 36 TYR N A 36 TYR CA A 36 TYR C 1.0 -90.8 -30.8 PHI 65 65 A 36 TYR N A 36 TYR CA A 36 TYR C A 37 GLU N 1.0 -69.5 -5.7 PSI 66 66 A 36 TYR C A 37 GLU N A 37 GLU CA A 37 GLU C 1.0 -70.9 -50.9 PHI 67 67 A 37 GLU N A 37 GLU CA A 37 GLU C A 38 GLN N 1.0 -51.9 -29.9 PSI 68 68 A 37 GLU C A 38 GLN N A 38 GLN CA A 38 GLN C 1.0 -76.1 -56.1 PHI 69 69 A 38 GLN N A 38 GLN CA A 38 GLN C A 39 ILE N 1.0 -52.5 -30.5 PSI 70 70 A 38 GLN C A 39 ILE N A 39 ILE CA A 39 ILE C 1.0 -73.3 -53.3 PHI 71 71 A 39 ILE N A 39 ILE CA A 39 ILE C A 40 LYS N 1.0 -54.3 -32.3 PSI 72 72 A 39 ILE C A 40 LYS N A 40 LYS CA A 40 LYS C 1.0 -68.8 -48.8 PHI 73 73 A 40 LYS N A 40 LYS CA A 40 LYS C A 41 GLU N 1.0 -56.5 -34.5 PSI 74 74 A 40 LYS C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -73.0 -53.0 PHI 75 75 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 TRP N 1.0 -55.9 -33.9 PSI 76 76 A 41 GLU C A 42 TRP N A 42 TRP CA A 42 TRP C 1.0 -75.0 -55.0 PHI 77 77 A 42 TRP N A 42 TRP CA A 42 TRP C A 43 ILE N 1.0 -54.4 -32.4 PSI 78 78 A 42 TRP C A 43 ILE N A 43 ILE CA A 43 ILE C 1.0 -69.9 -49.9 PHI 79 79 A 43 ILE N A 43 ILE CA A 43 ILE C A 44 GLU N 1.0 -57.2 -35.2 PSI 80 80 A 43 ILE C A 44 GLU N A 44 GLU CA A 44 GLU C 1.0 -71.5 -51.5 PHI 81 81 A 44 GLU N A 44 GLU CA A 44 GLU C A 45 ASN N 1.0 -54.4 -32.4 PSI 82 82 A 44 GLU C A 45 ASN N A 45 ASN CA A 45 ASN C 1.0 -75.4 -55.4 PHI 83 83 A 45 ASN N A 45 ASN CA A 45 ASN C A 46 ALA N 1.0 -53.6 -31.6 PSI 84 84 A 45 ASN C A 46 ALA N A 46 ALA CA A 46 ALA C 1.0 -94.0 -34.0 PHI 85 85 A 46 ALA N A 46 ALA CA A 46 ALA C A 47 LEU N 1.0 -76.3 -12.5 PSI stop_ save_