data_nef_c25541_2n0z save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 25542 BMRB 25543 BMRB 25544 BMRB 25545 PDB 2N0Z 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 GLY start . false 2 A 2 PRO middle . false 3 A 3 LEU middle . . 4 A 4 GLY middle . false 5 A 5 SER middle . . 6 A 6 PRO middle . false 7 A 7 ASN middle . . 8 A 8 SER middle . . 9 A 9 GLY middle . false 10 A 10 THR middle . . 11 A 11 LYS middle . . 12 A 12 LYS middle . . 13 A 13 TYR middle . . 14 A 14 ASP middle . . 15 A 15 LEU middle . . 16 A 16 SER middle . . 17 A 17 LYS middle . . 18 A 18 TRP middle . . 19 A 19 LYS middle . . 20 A 20 TYR middle . . 21 A 21 ALA middle . . 22 A 22 GLU middle . . 23 A 23 LEU middle . . 24 A 24 ARG middle . . 25 A 25 ASP middle . . 26 A 26 THR middle . . 27 A 27 ILE middle . . 28 A 28 ASN middle . . 29 A 29 THR middle . . 30 A 30 SER middle . . 31 A 31 CYS middle . . 32 A 32 ASP middle . . 33 A 33 ILE middle . . 34 A 34 GLU middle . . 35 A 35 LEU middle . . 36 A 36 LEU middle . . 37 A 37 ALA middle . . 38 A 38 ALA middle . . 39 A 39 CYS middle . . 40 A 40 ARG middle . . 41 A 41 GLU middle . . 42 A 42 GLU middle . . 43 A 43 PHE middle . . 44 A 44 HIS middle . . 45 A 45 ARG middle . . 46 A 46 ARG middle . . 47 A 47 LEU middle . . 48 A 48 LYS middle . . 49 A 49 VAL middle . . 50 A 50 TYR middle . . 51 A 51 HIS 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 GLY H H 1 8.533 0.030 A 1 GLY HAx H 1 3.924 0.030 A 1 GLY HAy H 1 3.924 0.030 A 1 GLY C C 13 171.455 0.300 A 1 GLY CA C 13 43.298 0.300 A 1 GLY N N 15 110.919 0.300 A 2 PRO HA H 1 4.392 0.030 A 2 PRO HBy H 1 2.235 0.030 A 2 PRO HBx H 1 1.869 0.030 A 2 PRO HDx H 1 3.515 0.030 A 2 PRO HDy H 1 3.515 0.030 A 2 PRO HGx H 1 1.953 0.030 A 2 PRO HGy H 1 1.953 0.030 A 2 PRO C C 13 174.211 0.300 A 2 PRO CA C 13 63.459 0.300 A 2 PRO CB C 13 31.973 0.300 A 2 PRO CD C 13 49.527 0.300 A 2 PRO CG C 13 27.040 0.300 A 3 LEU H H 1 8.595 0.030 A 3 LEU HA H 1 4.292 0.030 A 3 LEU HBy H 1 1.631 0.030 A 3 LEU HBx H 1 1.549 0.030 A 3 LEU HDx% H 1 0.845 0.030 A 3 LEU HDy% H 1 0.889 0.030 A 3 LEU HG H 1 1.622 0.030 A 3 LEU C C 13 175.091 0.300 A 3 LEU CA C 13 55.343 0.300 A 3 LEU CB C 13 42.121 0.300 A 3 LEU CDx C 13 23.418 0.300 A 3 LEU CDy C 13 24.777 0.300 A 3 LEU CG C 13 26.927 0.300 A 3 LEU N N 15 122.658 0.300 A 4 GLY H H 1 8.463 0.030 A 4 GLY HAx H 1 3.912 0.030 A 4 GLY HAy H 1 3.912 0.030 A 4 GLY C C 13 170.952 0.300 A 4 GLY CA C 13 44.907 0.300 A 4 GLY N N 15 110.030 0.300 A 5 SER H H 1 8.249 0.030 A 5 SER HA H 1 4.728 0.030 A 5 SER HBx H 1 3.811 0.030 A 5 SER HBy H 1 3.811 0.030 A 5 SER C C 13 170.110 0.300 A 5 SER CA C 13 56.341 0.300 A 5 SER CB C 13 63.261 0.300 A 5 SER N N 15 116.875 0.300 A 6 PRO HA H 1 4.421 0.030 A 6 PRO HBy H 1 2.262 0.030 A 6 PRO HBx H 1 1.893 0.030 A 6 PRO HDy H 1 3.770 0.030 A 6 PRO HDx H 1 3.670 0.030 A 6 PRO HGx H 1 1.963 0.030 A 6 PRO HGy H 1 1.963 0.030 A 6 PRO C C 13 173.913 0.300 A 6 PRO CA C 13 62.946 0.300 A 6 PRO CB C 13 32.258 0.300 A 6 PRO CD C 13 50.637 0.300 A 6 PRO CG C 13 27.251 0.300 A 7 ASN H H 1 8.581 0.030 A 7 ASN HA H 1 4.672 0.030 A 7 ASN HBy H 1 2.805 0.030 A 7 ASN HBx H 1 2.725 0.030 A 7 ASN HD2y H 1 7.679 0.030 A 7 ASN HD2x H 1 6.968 0.030 A 7 ASN C C 13 172.507 0.300 A 7 ASN CA C 13 53.211 0.300 A 7 ASN CB C 13 38.700 0.300 A 7 ASN N N 15 118.641 0.300 A 7 ASN ND2 N 15 113.620 0.300 A 8 SER H H 1 8.330 0.030 A 8 SER HA H 1 4.380 0.030 A 8 SER HBy H 1 3.890 0.030 A 8 SER HBx H 1 3.822 0.030 A 8 SER C C 13 172.210 0.300 A 8 SER CA C 13 58.659 0.300 A 8 SER CB C 13 63.734 0.300 A 8 SER N N 15 116.408 0.300 A 10 THR H H 1 8.114 0.030 A 10 THR HA H 1 4.241 0.030 A 10 THR HB H 1 4.108 0.030 A 10 THR HG2% H 1 1.137 0.030 A 10 THR C C 13 171.741 0.300 A 10 THR CA C 13 62.002 0.300 A 10 THR CB C 13 69.796 0.300 A 10 THR CG2 C 13 21.604 0.300 A 10 THR N N 15 114.351 0.300 A 11 LYS H H 1 8.436 0.030 A 11 LYS HA H 1 4.164 0.030 A 11 LYS HBx H 1 1.607 0.030 A 11 LYS HBy H 1 1.607 0.030 A 11 LYS HDx H 1 1.567 0.030 A 11 LYS HDy H 1 1.567 0.030 A 11 LYS HEx H 1 2.864 0.030 A 11 LYS HEy H 1 2.864 0.030 A 11 LYS HGx H 1 1.193 0.030 A 11 LYS HGy H 1 1.284 0.030 A 11 LYS C C 13 172.964 0.300 A 11 LYS CA C 13 56.122 0.300 A 11 LYS CB C 13 32.819 0.300 A 11 LYS CD C 13 28.959 0.300 A 11 LYS CE C 13 41.980 0.300 A 11 LYS CG C 13 24.678 0.300 A 11 LYS N N 15 124.677 0.300 A 12 LYS H H 1 8.239 0.030 A 12 LYS HA H 1 4.093 0.030 A 12 LYS HBx H 1 1.493 0.030 A 12 LYS HBy H 1 1.512 0.030 A 12 LYS HDx H 1 1.503 0.030 A 12 LYS HDy H 1 1.503 0.030 A 12 LYS HEx H 1 2.848 0.030 A 12 LYS HEy H 1 2.848 0.030 A 12 LYS HGx H 1 0.946 0.030 A 12 LYS HGy H 1 1.141 0.030 A 12 LYS C C 13 173.147 0.300 A 12 LYS CA C 13 56.327 0.300 A 12 LYS CB C 13 33.223 0.300 A 12 LYS CD C 13 29.007 0.300 A 12 LYS CE C 13 41.970 0.300 A 12 LYS CG C 13 24.533 0.300 A 12 LYS N N 15 123.337 0.300 A 13 TYR H H 1 8.274 0.030 A 13 TYR HA H 1 4.401 0.030 A 13 TYR HBx H 1 2.512 0.030 A 13 TYR HBy H 1 2.523 0.030 A 13 TYR HDx H 1 6.927 0.030 A 13 TYR HDy H 1 6.927 0.030 A 13 TYR HEx H 1 6.624 0.030 A 13 TYR HEy H 1 6.624 0.030 A 13 TYR C C 13 172.016 0.300 A 13 TYR CA C 13 57.325 0.300 A 13 TYR CB C 13 39.864 0.300 A 13 TYR CDx C 13 133.097 0.300 A 13 TYR CDy C 13 133.097 0.300 A 13 TYR CEx C 13 117.838 0.300 A 13 TYR CEy C 13 117.838 0.300 A 13 TYR N N 15 119.233 0.300 A 14 ASP H H 1 8.603 0.030 A 14 ASP HA H 1 4.677 0.030 A 14 ASP HBx H 1 2.503 0.030 A 14 ASP HBy H 1 2.854 0.030 A 14 ASP C C 13 173.276 0.300 A 14 ASP CA C 13 52.719 0.300 A 14 ASP CB C 13 40.205 0.300 A 14 ASP N N 15 120.486 0.300 A 15 LEU H H 1 8.901 0.030 A 15 LEU HA H 1 3.765 0.030 A 15 LEU HBx H 1 0.765 0.030 A 15 LEU HBy H 1 1.014 0.030 A 15 LEU HDx% H 1 0.143 0.030 A 15 LEU HDy% H 1 -0.652 0.030 A 15 LEU HG H 1 0.849 0.030 A 15 LEU C C 13 175.592 0.300 A 15 LEU CA C 13 53.255 0.300 A 15 LEU CB C 13 39.967 0.300 A 15 LEU CDy C 13 26.903 0.300 A 15 LEU CDx C 13 20.451 0.300 A 15 LEU CG C 13 26.156 0.300 A 15 LEU N N 15 126.405 0.300 A 17 LYS H H 1 8.521 0.030 A 17 LYS HA H 1 4.501 0.030 A 17 LYS HBx H 1 1.742 0.030 A 17 LYS HBy H 1 2.088 0.030 A 17 LYS HDx H 1 1.618 0.030 A 17 LYS HDy H 1 1.618 0.030 A 17 LYS HEx H 1 2.971 0.030 A 17 LYS HEy H 1 2.971 0.030 A 17 LYS HGx H 1 1.372 0.030 A 17 LYS HGy H 1 1.484 0.030 A 17 LYS C C 13 175.079 0.300 A 17 LYS CA C 13 55.267 0.300 A 17 LYS CB C 13 31.977 0.300 A 17 LYS CD C 13 28.605 0.300 A 17 LYS CE C 13 42.095 0.300 A 17 LYS CG C 13 25.044 0.300 A 17 LYS N N 15 118.008 0.300 A 18 TRP H H 1 7.853 0.030 A 18 TRP HA H 1 4.578 0.030 A 18 TRP HBx H 1 3.164 0.030 A 18 TRP HBy H 1 3.196 0.030 A 18 TRP HD1 H 1 7.147 0.030 A 18 TRP HE1 H 1 10.203 0.030 A 18 TRP HE3 H 1 7.054 0.030 A 18 TRP HH2 H 1 7.004 0.030 A 18 TRP HZ2 H 1 7.296 0.030 A 18 TRP HZ3 H 1 7.067 0.030 A 18 TRP C C 13 174.862 0.300 A 18 TRP CA C 13 58.371 0.300 A 18 TRP CB C 13 28.544 0.300 A 18 TRP CD1 C 13 123.553 0.300 A 18 TRP CE3 C 13 119.354 0.300 A 18 TRP CH2 C 13 124.555 0.300 A 18 TRP CZ2 C 13 114.910 0.300 A 18 TRP CZ3 C 13 121.873 0.300 A 18 TRP N N 15 122.041 0.300 A 18 TRP NE1 N 15 128.949 0.300 A 20 TYR H H 1 9.266 0.030 A 20 TYR HA H 1 4.025 0.030 A 20 TYR HBx H 1 3.049 0.030 A 20 TYR HBy H 1 3.267 0.030 A 20 TYR HDx H 1 7.086 0.030 A 20 TYR HDy H 1 7.086 0.030 A 20 TYR HEx H 1 6.720 0.030 A 20 TYR HEy H 1 6.720 0.030 A 20 TYR C C 13 174.531 0.300 A 20 TYR CA C 13 63.149 0.300 A 20 TYR CB C 13 38.153 0.300 A 20 TYR CDx C 13 133.016 0.300 A 20 TYR CDy C 13 133.016 0.300 A 20 TYR CEx C 13 118.382 0.300 A 20 TYR CEy C 13 118.382 0.300 A 20 TYR N N 15 124.291 0.300 A 21 ALA H H 1 8.986 0.030 A 21 ALA HA H 1 3.873 0.030 A 21 ALA HB% H 1 1.433 0.030 A 21 ALA C C 13 176.314 0.300 A 21 ALA CA C 13 55.335 0.300 A 21 ALA CB C 13 18.703 0.300 A 21 ALA N N 15 117.781 0.300 A 22 GLU H H 1 6.854 0.030 A 22 GLU HA H 1 4.119 0.030 A 22 GLU HBy H 1 2.257 0.030 A 22 GLU HBx H 1 1.701 0.030 A 22 GLU HGx H 1 1.988 0.030 A 22 GLU HGy H 1 2.084 0.030 A 22 GLU C C 13 177.380 0.300 A 22 GLU CA C 13 58.479 0.300 A 22 GLU CB C 13 29.870 0.300 A 22 GLU CG C 13 36.787 0.300 A 22 GLU N N 15 115.218 0.300 A 24 ARG H H 1 8.250 0.030 A 24 ARG HA H 1 3.637 0.030 A 24 ARG HBx H 1 1.549 0.030 A 24 ARG HBy H 1 1.807 0.030 A 24 ARG HDx H 1 3.082 0.030 A 24 ARG HDy H 1 3.166 0.030 A 24 ARG HE H 1 7.055 0.030 A 24 ARG HGx H 1 1.351 0.030 A 24 ARG HGy H 1 1.682 0.030 A 24 ARG C C 13 175.240 0.300 A 24 ARG CA C 13 58.976 0.300 A 24 ARG CB C 13 29.862 0.300 A 24 ARG CD C 13 43.113 0.300 A 24 ARG CG C 13 26.243 0.300 A 24 ARG N N 15 118.051 0.300 A 24 ARG NE N 15 83.962 0.300 A 25 ASP H H 1 8.507 0.030 A 25 ASP HA H 1 4.385 0.030 A 25 ASP HBx H 1 2.663 0.030 A 25 ASP HBy H 1 2.699 0.030 A 25 ASP C C 13 176.554 0.300 A 25 ASP CA C 13 57.356 0.300 A 25 ASP CB C 13 40.042 0.300 A 25 ASP N N 15 118.179 0.300 A 26 THR H H 1 7.918 0.030 A 26 THR HA H 1 3.891 0.030 A 26 THR HB H 1 4.561 0.030 A 26 THR HG2% H 1 1.259 0.030 A 26 THR C C 13 173.365 0.300 A 26 THR CA C 13 67.787 0.300 A 26 THR CB C 13 68.120 0.300 A 26 THR CG2 C 13 22.847 0.300 A 26 THR N N 15 118.299 0.300 A 27 ILE H H 1 8.159 0.030 A 27 ILE HA H 1 3.625 0.030 A 27 ILE HB H 1 1.804 0.030 A 27 ILE HD1% H 1 0.521 0.030 A 27 ILE HG1y H 1 1.668 0.030 A 27 ILE HG1x H 1 0.881 0.030 A 27 ILE HG2% H 1 0.790 0.030 A 27 ILE C C 13 174.485 0.300 A 27 ILE CA C 13 64.711 0.300 A 27 ILE CB C 13 37.527 0.300 A 27 ILE CD1 C 13 13.421 0.300 A 27 ILE CG1 C 13 30.457 0.300 A 27 ILE CG2 C 13 17.202 0.300 A 27 ILE N N 15 122.576 0.300 A 28 ASN H H 1 7.713 0.030 A 28 ASN HA H 1 4.615 0.030 A 28 ASN HBx H 1 2.882 0.030 A 28 ASN HBy H 1 2.900 0.030 A 28 ASN HD2y H 1 7.753 0.030 A 28 ASN HD2x H 1 6.813 0.030 A 28 ASN C C 13 173.902 0.300 A 28 ASN CA C 13 54.460 0.300 A 28 ASN CB C 13 39.230 0.300 A 28 ASN N N 15 115.118 0.300 A 28 ASN ND2 N 15 111.824 0.300 A 29 THR H H 1 7.587 0.030 A 29 THR HA H 1 4.600 0.030 A 29 THR HB H 1 4.143 0.030 A 29 THR HG2% H 1 1.182 0.030 A 29 THR C C 13 172.290 0.300 A 29 THR CA C 13 62.595 0.300 A 29 THR CB C 13 72.291 0.300 A 29 THR CG2 C 13 21.354 0.300 A 29 THR N N 15 107.730 0.300 A 30 SER H H 1 8.698 0.030 A 30 SER HA H 1 4.296 0.030 A 30 SER HBx H 1 3.608 0.030 A 30 SER HBy H 1 4.139 0.030 A 30 SER C C 13 172.473 0.300 A 30 SER CA C 13 59.618 0.300 A 30 SER CB C 13 64.402 0.300 A 30 SER N N 15 117.784 0.300 A 31 CYS H H 1 8.713 0.030 A 31 CYS HA H 1 4.787 0.030 A 31 CYS HBx H 1 2.931 0.030 A 31 CYS HBy H 1 3.006 0.030 A 31 CYS C C 13 170.861 0.300 A 31 CYS CA C 13 57.372 0.300 A 31 CYS CB C 13 28.364 0.300 A 31 CYS N N 15 121.196 0.300 A 32 ASP H H 1 8.542 0.030 A 32 ASP HA H 1 4.613 0.030 A 32 ASP HBx H 1 2.457 0.030 A 32 ASP HBy H 1 2.988 0.030 A 32 ASP C C 13 172.541 0.300 A 32 ASP CA C 13 53.185 0.300 A 32 ASP CB C 13 41.137 0.300 A 32 ASP N N 15 124.610 0.300 A 33 ILE H H 1 8.459 0.030 A 33 ILE HA H 1 3.686 0.030 A 33 ILE HB H 1 1.925 0.030 A 33 ILE HD1% H 1 0.869 0.030 A 33 ILE HG1y H 1 1.575 0.030 A 33 ILE HG1x H 1 1.343 0.030 A 33 ILE HG2% H 1 0.952 0.030 A 33 ILE C C 13 175.743 0.300 A 33 ILE CA C 13 64.710 0.300 A 33 ILE CB C 13 37.815 0.300 A 33 ILE CD1 C 13 12.739 0.300 A 33 ILE CG1 C 13 27.722 0.300 A 33 ILE CG2 C 13 17.511 0.300 A 33 ILE N N 15 125.134 0.300 A 34 GLU H H 1 8.177 0.030 A 34 GLU HA H 1 4.131 0.030 A 34 GLU HBx H 1 2.151 0.030 A 34 GLU HBy H 1 2.237 0.030 A 34 GLU HGx H 1 2.288 0.030 A 34 GLU HGy H 1 2.394 0.030 A 34 GLU C C 13 176.406 0.300 A 34 GLU CA C 13 59.333 0.300 A 34 GLU CB C 13 29.675 0.300 A 34 GLU CG C 13 37.220 0.300 A 34 GLU N N 15 121.097 0.300 A 35 LEU H H 1 7.831 0.030 A 35 LEU HA H 1 3.611 0.030 A 35 LEU HBx H 1 1.196 0.030 A 35 LEU HBy H 1 1.748 0.030 A 35 LEU HDx% H 1 0.933 0.030 A 35 LEU HDy% H 1 0.358 0.030 A 35 LEU HG H 1 1.200 0.030 A 35 LEU C C 13 176.399 0.300 A 35 LEU CA C 13 57.068 0.300 A 35 LEU CB C 13 40.910 0.300 A 35 LEU CDy C 13 26.118 0.300 A 35 LEU CDx C 13 21.843 0.300 A 35 LEU CG C 13 27.127 0.300 A 35 LEU N N 15 124.890 0.300 A 36 LEU H H 1 8.843 0.030 A 36 LEU HA H 1 3.659 0.030 A 36 LEU HBx H 1 1.307 0.030 A 36 LEU HBy H 1 1.803 0.030 A 36 LEU HDx% H 1 0.770 0.030 A 36 LEU HDy% H 1 0.902 0.030 A 36 LEU HG H 1 1.568 0.030 A 36 LEU C C 13 176.280 0.300 A 36 LEU CA C 13 58.615 0.300 A 36 LEU CB C 13 42.469 0.300 A 36 LEU CDx C 13 24.842 0.300 A 36 LEU CDy C 13 25.166 0.300 A 36 LEU CG C 13 26.960 0.300 A 36 LEU N N 15 120.493 0.300 A 37 ALA H H 1 7.610 0.030 A 37 ALA HA H 1 3.997 0.030 A 37 ALA HB% H 1 1.461 0.030 A 37 ALA C C 13 177.606 0.300 A 37 ALA CA C 13 55.169 0.300 A 37 ALA CB C 13 17.620 0.300 A 37 ALA N N 15 119.956 0.300 A 38 ALA H H 1 7.665 0.030 A 38 ALA HA H 1 4.103 0.030 A 38 ALA HB% H 1 1.303 0.030 A 38 ALA C C 13 178.452 0.300 A 38 ALA CA C 13 54.855 0.300 A 38 ALA CB C 13 18.060 0.300 A 38 ALA N N 15 121.594 0.300 A 40 ARG H H 1 8.327 0.030 A 40 ARG HA H 1 3.898 0.030 A 40 ARG HBx H 1 1.816 0.030 A 40 ARG HBy H 1 1.869 0.030 A 40 ARG HDx H 1 3.111 0.030 A 40 ARG HDy H 1 3.152 0.030 A 40 ARG HE H 1 7.270 0.030 A 40 ARG HGx H 1 1.470 0.030 A 40 ARG HGy H 1 1.816 0.030 A 40 ARG C C 13 176.108 0.300 A 40 ARG CA C 13 60.482 0.300 A 40 ARG CB C 13 29.864 0.300 A 40 ARG CD C 13 43.203 0.300 A 40 ARG CG C 13 28.865 0.300 A 40 ARG N N 15 119.658 0.300 A 40 ARG NE N 15 84.555 0.300 A 41 GLU H H 1 7.929 0.030 A 41 GLU HA H 1 4.099 0.030 A 41 GLU HBx H 1 2.060 0.030 A 41 GLU HBy H 1 2.098 0.030 A 41 GLU HGx H 1 2.274 0.030 A 41 GLU HGy H 1 2.371 0.030 A 41 GLU C C 13 171.786 0.300 A 41 GLU CA C 13 59.213 0.300 A 41 GLU CB C 13 29.277 0.300 A 41 GLU CG C 13 36.004 0.300 A 41 GLU N N 15 119.358 0.300 A 43 PHE H H 1 8.624 0.030 A 43 PHE HA H 1 4.077 0.030 A 43 PHE HBx H 1 3.055 0.030 A 43 PHE HBy H 1 3.099 0.030 A 43 PHE HDx H 1 6.999 0.030 A 43 PHE HDy H 1 6.999 0.030 A 43 PHE HEx H 1 6.994 0.030 A 43 PHE HEy H 1 6.994 0.030 A 43 PHE C C 13 175.299 0.300 A 43 PHE CA C 13 61.549 0.300 A 43 PHE CB C 13 39.134 0.300 A 43 PHE CDx C 13 131.067 0.300 A 43 PHE CDy C 13 131.067 0.300 A 43 PHE CEx C 13 129.766 0.300 A 43 PHE CEy C 13 129.766 0.300 A 43 PHE N N 15 119.271 0.300 A 44 HIS H H 1 7.976 0.030 A 44 HIS HA H 1 4.266 0.030 A 44 HIS HBx H 1 3.230 0.030 A 44 HIS HBy H 1 3.253 0.030 A 44 HIS HD2 H 1 7.066 0.030 A 44 HIS HE1 H 1 7.951 0.030 A 44 HIS C C 13 174.771 0.300 A 44 HIS CA C 13 59.343 0.300 A 44 HIS CB C 13 29.488 0.300 A 44 HIS CD2 C 13 120.404 0.300 A 44 HIS CE1 C 13 137.709 0.300 A 44 HIS N N 15 116.374 0.300 A 45 ARG H H 1 8.166 0.030 A 45 ARG HA H 1 3.946 0.030 A 45 ARG HBx H 1 1.954 0.030 A 45 ARG HBy H 1 1.996 0.030 A 45 ARG HDx H 1 3.101 0.030 A 45 ARG HDy H 1 3.261 0.030 A 45 ARG HE H 1 7.765 0.030 A 45 ARG HGx H 1 1.561 0.030 A 45 ARG HGy H 1 1.710 0.030 A 45 ARG C C 13 176.310 0.300 A 45 ARG CA C 13 59.206 0.300 A 45 ARG CB C 13 30.388 0.300 A 45 ARG CD C 13 43.056 0.300 A 45 ARG CG C 13 27.668 0.300 A 45 ARG N N 15 120.170 0.300 A 45 ARG NE N 15 83.189 0.300 A 46 ARG H H 1 7.764 0.030 A 46 ARG HA H 1 4.065 0.030 A 46 ARG HBx H 1 1.840 0.030 A 46 ARG HBy H 1 1.985 0.030 A 46 ARG HDx H 1 2.751 0.030 A 46 ARG HDy H 1 3.235 0.030 A 46 ARG HE H 1 8.813 0.030 A 46 ARG HGx H 1 1.685 0.030 A 46 ARG HGy H 1 1.924 0.030 A 46 ARG C C 13 176.046 0.300 A 46 ARG CA C 13 57.691 0.300 A 46 ARG CB C 13 30.248 0.300 A 46 ARG CD C 13 43.252 0.300 A 46 ARG CG C 13 27.445 0.300 A 46 ARG N N 15 116.229 0.300 A 46 ARG NE N 15 86.236 0.300 A 47 LEU H H 1 7.557 0.030 A 47 LEU HA H 1 4.135 0.030 A 47 LEU HBx H 1 1.483 0.030 A 47 LEU HBy H 1 1.676 0.030 A 47 LEU HDx% H 1 0.746 0.030 A 47 LEU HDy% H 1 0.750 0.030 A 47 LEU HG H 1 1.613 0.030 A 47 LEU CA C 13 55.957 0.300 A 47 LEU CB C 13 42.024 0.300 A 47 LEU CDy C 13 25.067 0.300 A 47 LEU CDx C 13 23.124 0.300 A 47 LEU CG C 13 26.531 0.300 A 47 LEU N N 15 119.010 0.300 A 48 LYS H H 1 7.662 0.030 A 48 LYS HA H 1 4.075 0.030 A 48 LYS HBx H 1 1.710 0.030 A 48 LYS HBy H 1 1.710 0.030 A 48 LYS HDx H 1 1.569 0.030 A 48 LYS HDy H 1 1.569 0.030 A 48 LYS HEx H 1 2.853 0.030 A 48 LYS HEy H 1 2.853 0.030 A 48 LYS HGx H 1 1.227 0.030 A 48 LYS HGy H 1 1.323 0.030 A 48 LYS C C 13 176.354 0.300 A 48 LYS CA C 13 56.655 0.300 A 48 LYS CB C 13 32.410 0.300 A 48 LYS CD C 13 28.950 0.300 A 48 LYS CE C 13 41.957 0.300 A 48 LYS CG C 13 24.670 0.300 A 48 LYS N N 15 119.277 0.300 A 49 VAL H H 1 7.688 0.030 A 49 VAL HA H 1 3.972 0.030 A 49 VAL HB H 1 1.886 0.030 A 49 VAL HGx% H 1 0.795 0.030 A 49 VAL HGy% H 1 0.693 0.030 A 49 VAL C C 13 174.195 0.300 A 49 VAL CA C 13 62.214 0.300 A 49 VAL CB C 13 32.747 0.300 A 49 VAL CGx C 13 20.430 0.300 A 49 VAL CGy C 13 20.972 0.300 A 49 VAL N N 15 119.095 0.300 A 50 TYR H H 1 8.164 0.030 A 50 TYR HA H 1 4.482 0.030 A 50 TYR HBy H 1 2.978 0.030 A 50 TYR HBx H 1 2.814 0.030 A 50 TYR HDx H 1 7.039 0.030 A 50 TYR HDy H 1 7.039 0.030 A 50 TYR HEx H 1 6.719 0.030 A 50 TYR HEy H 1 6.719 0.030 A 50 TYR CA C 13 57.855 0.300 A 50 TYR CB C 13 38.721 0.300 A 50 TYR CDx C 13 133.067 0.300 A 50 TYR CDy C 13 133.067 0.300 A 50 TYR CEx C 13 118.015 0.300 A 50 TYR CEy C 13 118.015 0.300 A 50 TYR N N 15 123.606 0.300 A 51 HIS H H 1 7.761 0.030 A 51 HIS HA H 1 4.327 0.030 A 51 HIS HBx H 1 2.993 0.030 A 51 HIS HBy H 1 3.142 0.030 A 51 HIS HD2 H 1 7.059 0.030 A 51 HIS HE1 H 1 8.273 0.030 A 51 HIS C C 13 174.214 0.300 A 51 HIS CA C 13 57.010 0.300 A 51 HIS CB C 13 30.428 0.300 A 51 HIS CD2 C 13 119.563 0.300 A 51 HIS CE1 C 13 136.489 0.300 A 51 HIS N N 15 125.118 0.300 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 15 LEU HA A 18 TRP HE1 1.0 . 4.12 2 2 A 18 TRP HE1 A 15 LEU HDy% 1.0 . 3.83 3 3 A 14 ASP HA A 15 LEU H 1.0 . 2.94 4 4 A 15 LEU H A 14 ASP HBy 1.0 . 4.87 5 5 A 15 LEU H A 15 LEU HG 1.0 . 3.56 6 6 A 32 ASP HA A 33 ILE H 1.0 . 2.83 7 7 A 33 ILE H A 32 ASP HBx 1.0 . 4.53 8 8 A 33 ILE H A 33 ILE HB 1.0 . 3.27 9 9 A 33 ILE H A 33 ILE HG1x 1.0 . 3.51 10 10 A 33 ILE H A 33 ILE HG1y 1.0 . 3.51 11 11 A 50 TYR H A 51 HIS H 1.0 . 4.13 12 12 A 51 HIS H A 50 TYR HD% 1.0 . 5.11 13 13 A 51 HIS H A 51 HIS HD2 1.0 . 5.50 14 14 A 51 HIS H A 50 TYR HA 1.0 . 3.17 15 15 A 51 HIS H A 50 TYR HBy 1.0 . 4.76 16 16 A 35 LEU H A 36 LEU H 1.0 . 3.33 17 17 A 35 LEU H A 32 ASP HBy 1.0 . 4.17 18 18 A 35 LEU H A 34 GLU HBx 1.0 . 3.58 19 19 A 35 LEU H A 35 LEU HBx 1.0 . 3.29 20 20 A 35 LEU H A 36 LEU HG 1.0 . 4.94 21 21 A 35 LEU H A 38 ALA HB% 1.0 . 4.70 22 22 A 35 LEU H A 35 LEU HG 1.0 . 3.19 23 23 A 35 LEU H A 35 LEU HDx% 1.0 . 3.87 24 24 A 35 LEU H A 35 LEU HDy% 1.0 . 4.12 25 25 A 30 SER HG A 32 ASP H 1.0 . 4.95 26 26 A 32 ASP H A 31 CYS HBx 1.0 . 4.59 27 27 A 32 ASP HBx A 32 ASP H 1.0 . 3.32 28 28 A 10 THR HA A 11 LYS H 1.0 . 2.81 29 29 A 11 LYS H A 11 LYS HBx 1.0 . 3.19 30 29 A 11 LYS H A 11 LYS HBy 1.0 . 3.19 31 30 A 11 LYS H A 11 LYS HGx 1.0 . 5.05 32 31 A 19 LYS HA A 20 TYR H 1.0 . 3.52 33 32 A 20 TYR H A 20 TYR HBx 1.0 . 3.83 34 33 A 20 TYR H A 20 TYR HBy 1.0 . 3.90 35 34 A 50 TYR H A 50 TYR HBx 1.0 . 3.88 36 35 A 50 TYR H A 50 TYR HBy 1.0 . 3.88 37 36 A 50 TYR H A 49 VAL HGy% 1.0 . 4.47 38 37 A 18 TRP HBy A 19 LYS H 1.0 . 3.79 39 38 A 19 LYS H A 22 GLU HBy 1.0 . 3.65 40 39 A 19 LYS H A 19 LYS HGx 1.0 . 4.31 41 40 A 11 LYS H A 12 LYS H 1.0 . 4.37 42 41 A 12 LYS H A 11 LYS HA 1.0 . 2.78 43 42 A 12 LYS H A 11 LYS HBx 1.0 . 3.96 44 42 A 11 LYS HBy A 12 LYS H 1.0 . 3.96 45 43 A 12 LYS H A 12 LYS HDx 1.0 . 3.55 46 43 A 12 LYS H A 12 LYS HDy 1.0 . 3.55 47 44 A 12 LYS H A 12 LYS HGx 1.0 . 4.34 48 45 A 12 LYS H A 12 LYS HGy 1.0 . 4.34 49 46 A 26 THR HB A 27 ILE H 1.0 . 3.51 50 47 A 27 ILE H A 27 ILE HB 1.0 . 3.04 51 48 A 27 ILE H A 27 ILE HG1x 1.0 . 3.28 52 49 A 27 ILE H A 26 THR HG2% 1.0 . 4.03 53 50 A 27 ILE H A 27 ILE HG1y 1.0 . 3.83 54 51 A 27 ILE H A 27 ILE HG2% 1.0 . 3.87 55 52 A 27 ILE H A 27 ILE HD1% 1.0 . 3.84 56 53 A 18 TRP HE3 A 23 LEU H 1.0 . 3.99 57 54 A 23 LEU H A 22 GLU H 1.0 . 3.26 58 55 A 22 GLU HBy A 23 LEU H 1.0 . 3.84 59 56 A 23 LEU H A 23 LEU HBx 1.0 . 3.48 60 57 A 23 LEU H A 23 LEU HG 1.0 . 3.39 61 58 A 23 LEU H A 22 GLU HBx 1.0 . 3.88 62 59 A 23 LEU H A 23 LEU HBy 1.0 . 3.83 63 60 A 23 LEU H A 23 LEU HD11 1.0 . 4.03 64 61 A 18 TRP H A 18 TRP HD1 1.0 . 3.79 65 62 A 18 TRP H A 18 TRP HBx 1.0 . 3.08 66 63 A 18 TRP H A 17 LYS HBy 1.0 . 4.48 67 64 A 38 ALA H A 39 CYS H 1.0 . 3.25 68 65 A 38 ALA H A 35 LEU HA 1.0 . 3.87 69 66 A 38 ALA H A 37 ALA HB% 1.0 . 3.21 70 67 A 38 ALA HB% A 38 ALA H 1.0 . 2.87 71 68 A 30 SER HA A 31 CYS H 1.0 . 2.90 72 69 A 31 CYS H A 30 SER HBy 1.0 . 4.05 73 70 A 31 CYS H A 31 CYS HBy 1.0 . 4.00 74 71 A 42 GLU H A 43 PHE H 1.0 . 3.43 75 72 A 42 GLU H A 39 CYS HA 1.0 . 4.14 76 73 A 42 GLU H A 42 GLU HBx 1.0 . 3.79 77 74 A 42 GLU H A 42 GLU HBy 1.0 . 3.79 78 75 A 42 GLU H A 41 GLU HBx 1.0 . 3.54 79 76 A 42 GLU H A 41 GLU HBy 1.0 . 4.02 80 77 A 35 LEU HBx A 34 GLU H 1.0 . 4.79 81 78 A 34 GLU H A 33 ILE HG2% 1.0 . 3.84 82 79 A 34 GLU H A 34 GLU HGx 1.0 . 3.85 83 80 A 34 GLU HBx A 34 GLU H 1.0 . 3.17 84 81 A 33 ILE HB A 34 GLU H 1.0 . 3.70 85 82 A 36 LEU H A 36 LEU HBx 1.0 . 3.27 86 83 A 36 LEU H A 36 LEU HG 1.0 . 3.35 87 84 A 36 LEU H A 36 LEU HBy 1.0 . 3.59 88 85 A 36 LEU H A 35 LEU HBy 1.0 . 3.82 89 86 A 36 LEU H A 36 LEU HDy% 1.0 . 3.76 90 87 A 13 TYR HA A 14 ASP H 1.0 . 3.21 91 88 A 14 ASP H A 14 ASP HBx 1.0 . 4.15 92 89 A 14 ASP H A 13 TYR HBy 1.0 . 3.86 93 90 A 14 ASP H A 14 ASP HBy 1.0 . 4.15 94 91 A 45 ARG H A 46 ARG H 1.0 . 3.45 95 92 A 45 ARG H A 42 GLU HA 1.0 . 3.68 96 93 A 45 ARG H A 41 GLU HA 1.0 . 4.34 97 94 A 45 ARG H A 45 ARG HGx 1.0 . 4.07 98 95 A 36 LEU H A 37 ALA H 1.0 . 3.53 99 96 A 37 ALA H A 34 GLU HA 1.0 . 3.83 100 97 A 37 ALA H A 33 ILE HA 1.0 . 4.20 101 98 A 36 LEU HBx A 37 ALA H 1.0 . 3.56 102 99 A 36 LEU HBy A 37 ALA H 1.0 . 3.60 103 100 A 39 CYS H A 40 ARG H 1.0 . 3.58 104 101 A 40 ARG H A 39 CYS HBx 1.0 . 4.01 105 102 A 40 ARG H A 39 CYS HBy 1.0 . 4.01 106 103 A 40 ARG H A 40 ARG HGy 1.0 . 4.22 107 104 A 40 ARG H A 38 ALA HA 1.0 . 4.81 108 105 A 40 ARG H A 37 ALA HA 1.0 . 4.14 109 106 A 43 PHE H A 42 GLU HBy 1.0 . 4.16 110 107 A 40 ARG H A 41 GLU H 1.0 . 3.43 111 108 A 41 GLU H A 41 GLU HGy 1.0 . 3.95 112 109 A 41 GLU HBx A 41 GLU H 1.0 . 2.97 113 110 A 39 CYS H A 39 CYS HBx 1.0 . 3.78 114 111 A 39 CYS H A 39 CYS HBy 1.0 . 3.78 115 112 A 38 ALA HB% A 39 CYS H 1.0 . 3.39 116 113 A 43 PHE H A 42 GLU HBx 1.0 . 4.16 117 114 A 13 TYR H A 13 TYR HD% 1.0 . 3.68 118 115 A 13 TYR H A 13 TYR HBx 1.0 . 3.12 119 116 A 13 TYR H A 12 LYS HBx 1.0 . 3.93 120 117 A 13 TYR H A 12 LYS HBy 1.0 . 3.93 121 118 A 50 TYR H A 49 VAL H 1.0 . 4.50 122 119 A 49 VAL H A 49 VAL HB 1.0 . 3.56 123 120 A 49 VAL H A 49 VAL HGy% 1.0 . 4.01 124 121 A 47 LEU HBy A 48 LYS H 1.0 . 4.14 125 122 A 48 LYS H A 47 LEU H 1.0 . 3.31 126 123 A 48 LYS H A 48 LYS HBx 1.0 . 3.18 127 123 A 48 LYS H A 48 LYS HBy 1.0 . 3.18 128 124 A 49 VAL H A 47 LEU H 1.0 . 4.22 129 125 A 47 LEU H A 44 HIS HA 1.0 . 4.13 130 126 A 47 LEU H A 46 ARG HBx 1.0 . 3.96 131 127 A 47 LEU H A 46 ARG HBy 1.0 . 3.96 132 128 A 47 LEU H A 47 LEU HBx 1.0 . 3.10 133 129 A 47 LEU HBy A 47 LEU H 1.0 . 3.59 134 130 A 47 LEU H A 47 LEU HDx% 1.0 . 4.23 135 131 A 26 THR H A 26 THR HG1 1.0 . 3.16 136 132 A 26 THR HB A 26 THR H 1.0 . 3.19 137 133 A 26 THR H A 23 LEU HA 1.0 . 4.01 138 134 A 26 THR H A 25 ASP HBx 1.0 . 4.03 139 135 A 26 THR HG2% A 26 THR H 1.0 . 3.78 140 136 A 21 ALA HA A 25 ASP H 1.0 . 4.04 141 137 A 25 ASP H A 25 ASP HBx 1.0 . 3.52 142 138 A 25 ASP H A 25 ASP HBy 1.0 . 3.52 143 139 A 25 ASP H A 24 ARG HBx 1.0 . 3.64 144 140 A 25 ASP H A 24 ARG HBy 1.0 . 3.64 145 141 A 18 TRP HD1 A 17 LYS H 1.0 . 4.26 146 142 A 17 LYS H A 17 LYS HBx 1.0 . 4.17 147 143 A 17 LYS H A 17 LYS HDx 1.0 . 4.63 148 143 A 17 LYS H A 17 LYS HDy 1.0 . 4.63 149 144 A 23 LEU H A 24 ARG H 1.0 . 3.50 150 145 A 24 ARG H A 43 PHE HD% 1.0 . 5.50 151 146 A 24 ARG H A 43 PHE HE% 1.0 . 5.50 152 147 A 24 ARG H A 24 ARG HBy 1.0 . 3.46 153 148 A 23 LEU HBy A 24 ARG H 1.0 . 4.04 154 149 A 20 TYR HD% A 21 ALA H 1.0 . 3.94 155 150 A 22 GLU H A 21 ALA H 1.0 . 3.49 156 151 A 20 TYR HBx A 21 ALA H 1.0 . 3.98 157 152 A 20 TYR HBy A 21 ALA H 1.0 . 3.39 158 153 A 21 ALA H A 19 LYS HBy 1.0 . 3.94 159 154 A 21 ALA H A 19 LYS HBx 1.0 . 3.94 160 155 A 29 THR H A 30 SER H 1.0 . 2.83 161 156 A 30 SER H A 29 THR HB 1.0 . 3.31 162 157 A 30 SER HBy A 30 SER H 1.0 . 3.53 163 158 A 30 SER H A 26 THR HA 1.0 . 3.90 164 159 A 30 SER H A 30 SER HBx 1.0 . 3.10 165 160 A 26 THR HG2% A 30 SER H 1.0 . 3.88 166 161 A 15 LEU H A 16 SER H 1.0 . 3.16 167 162 A 17 LYS H A 16 SER H 1.0 . 3.47 168 163 A 14 ASP HA A 16 SER H 1.0 . 3.73 169 164 A 16 SER H A 16 SER HBy 1.0 . 3.43 170 165 A 16 SER H A 16 SER HBx 1.0 . 3.43 171 166 A 43 PHE H A 44 HIS H 1.0 . 3.55 172 167 A 44 HIS H A 43 PHE HBy 1.0 . 3.36 173 168 A 46 ARG H A 47 LEU H 1.0 . 3.54 174 169 A 46 ARG H A 46 ARG HGy 1.0 . 4.24 175 170 A 22 GLU H A 19 LYS HBx 1.0 . 3.88 176 171 A 27 ILE H A 28 ASN H 1.0 . 3.42 177 172 A 29 THR H A 28 ASN H 1.0 . 3.27 178 173 A 28 ASN H A 28 ASN HBx 1.0 . 2.94 179 174 A 27 ILE HB A 28 ASN H 1.0 . 3.57 180 175 A 11 LYS H A 10 THR H 1.0 . 4.19 181 176 A 10 THR H A 10 THR HB 1.0 . 3.61 182 177 A 10 THR H A 9 GLY HAx 1.0 . 2.92 183 177 A 10 THR H A 9 GLY HAy 1.0 . 2.92 184 178 A 28 ASN HBx A 28 ASN HD2y 1.0 . 3.40 185 179 A 28 ASN HBx A 28 ASN HD2x 1.0 . 3.78 186 180 A 29 THR H A 29 THR HB 1.0 . 3.78 187 181 A 29 THR H A 26 THR HA 1.0 . 4.16 188 182 A 29 THR H A 27 ILE HA 1.0 . 4.52 189 183 A 29 THR H A 28 ASN HBx 1.0 . 3.87 190 184 A 29 THR H A 28 ASN HBy 1.0 . 4.45 191 185 A 30 SER H A 28 ASN HBx 1.0 . 5.50 192 186 A 30 SER HG A 30 SER H 1.0 . 4.43 193 187 A 36 LEU HDy% A 29 THR H 1.0 . 5.50 194 188 A 27 ILE HG2% A 29 THR H 1.0 . 5.24 195 189 A 27 ILE H A 29 THR H 1.0 . 4.97 196 190 A 27 ILE HD1% A 28 ASN H 1.0 . 4.88 197 191 A 28 ASN H A 29 THR HG2% 1.0 . 4.48 198 192 A 27 ILE HG1x A 28 ASN H 1.0 . 4.42 199 193 A 28 ASN H A 25 ASP HBx 1.0 . 5.50 200 194 A 28 ASN H A 25 ASP HBy 1.0 . 5.50 201 195 A 26 THR HA A 28 ASN H 1.0 . 4.87 202 196 A 28 ASN H A 28 ASN HD2x 1.0 . 4.74 203 197 A 28 ASN HD2x A 24 ARG HGy 1.0 . 4.86 204 198 A 28 ASN HD2x A 24 ARG HGx 1.0 . 4.94 205 199 A 28 ASN HD2y A 24 ARG HGy 1.0 . 4.77 206 200 A 28 ASN HD2y A 25 ASP HA 1.0 . 4.47 207 201 A 27 ILE H A 28 ASN HBx 1.0 . 4.76 208 202 A 27 ILE H A 23 LEU HA 1.0 . 4.34 209 203 A 27 ILE H A 26 THR HG1 1.0 . 4.30 210 204 A 26 THR H A 23 LEU HD21 1.0 . 5.49 211 205 A 27 ILE HG1x A 26 THR H 1.0 . 4.78 212 206 A 27 ILE HB A 26 THR H 1.0 . 5.50 213 207 A 26 THR H A 18 TRP HZ3 1.0 . 4.58 214 208 A 27 ILE H A 26 THR H 1.0 . 3.39 215 209 A 25 ASP H A 24 ARG H 1.0 . 3.49 216 210 A 21 ALA HA A 24 ARG H 1.0 . 4.15 217 211 A 22 GLU H A 24 ARG H 1.0 . 4.53 218 212 A 18 TRP HBy A 23 LEU H 1.0 . 4.34 219 213 A 23 LEU H A 25 ASP H 1.0 . 4.64 220 214 A 19 LYS H A 23 LEU H 1.0 . 5.26 221 215 A 18 TRP HBy A 22 GLU H 1.0 . 5.50 222 216 A 19 LYS HA A 22 GLU H 1.0 . 5.00 223 217 A 19 LYS HA A 21 ALA H 1.0 . 4.57 224 218 A 23 LEU H A 21 ALA H 1.0 . 4.77 225 219 A 20 TYR H A 21 ALA H 1.0 . 3.93 226 220 A 19 LYS H A 21 ALA H 1.0 . 5.50 227 221 A 20 TYR H A 19 LYS HBx 1.0 . 4.54 228 222 A 20 TYR H A 19 LYS HBy 1.0 . 4.54 229 223 A 20 TYR H A 20 TYR HD% 1.0 . 4.66 230 224 A 19 LYS H A 23 LEU HBx 1.0 . 5.50 231 225 A 19 LYS H A 22 GLU H 1.0 . 4.74 232 226 A 19 LYS H A 18 TRP HD1 1.0 . 5.34 233 227 A 20 TYR H A 19 LYS H 1.0 . 5.16 234 228 A 19 LYS H A 18 TRP H 1.0 . 4.52 235 229 A 18 TRP H A 17 LYS HBx 1.0 . 4.48 236 230 A 18 TRP H A 23 LEU HD21 1.0 . 5.36 237 231 A 18 TRP HE1 A 18 TRP HBx 1.0 . 5.08 238 232 A 15 LEU HDy% A 16 SER H 1.0 . 4.66 239 233 A 16 SER H A 15 LEU HBy 1.0 . 4.70 240 234 A 16 SER H A 15 LEU HBx 1.0 . 4.70 241 235 A 15 LEU HDy% A 15 LEU H 1.0 . 4.21 242 236 A 15 LEU H A 15 LEU HDx% 1.0 . 4.39 243 237 A 15 LEU H A 14 ASP HBx 1.0 . 4.87 244 238 A 15 LEU H A 16 SER HA 1.0 . 5.14 245 239 A 15 LEU H A 14 ASP H 1.0 . 4.84 246 240 A 15 LEU HDy% A 14 ASP H 1.0 . 4.96 247 241 A 14 ASP H A 13 TYR HD% 1.0 . 4.64 248 242 A 13 TYR H A 12 LYS HGy 1.0 . 4.70 249 243 A 13 TYR H A 12 LYS HGx 1.0 . 4.70 250 244 A 13 TYR H A 13 TYR HE% 1.0 . 5.12 251 245 A 14 ASP H A 13 TYR H 1.0 . 4.42 252 246 A 10 THR H A 9 GLY H1 1.0 . 4.49 253 247 A 35 LEU HDx% A 31 CYS H 1.0 . 4.93 254 248 A 26 THR HG2% A 31 CYS H 1.0 . 5.29 255 249 A 32 ASP HBx A 31 CYS H 1.0 . 4.56 256 250 A 31 CYS H A 30 SER HBx 1.0 . 4.41 257 251 A 30 SER HG A 31 CYS H 1.0 . 4.34 258 252 A 32 ASP HA A 31 CYS H 1.0 . 5.48 259 253 A 32 ASP H A 36 LEU HDy% 1.0 . 4.23 260 254 A 32 ASP H A 35 LEU HBy 1.0 . 5.37 261 255 A 36 LEU HG A 32 ASP H 1.0 . 4.67 262 256 A 35 LEU HBx A 32 ASP H 1.0 . 4.58 263 257 A 32 ASP H A 30 SER HBy 1.0 . 5.42 264 258 A 33 ILE H A 32 ASP HBy 1.0 . 4.52 265 259 A 33 ILE H A 34 GLU HBx 1.0 . 5.33 266 260 A 32 ASP HA A 34 GLU H 1.0 . 4.14 267 261 A 33 ILE H A 34 GLU H 1.0 . 3.50 268 262 A 36 LEU H A 34 GLU H 1.0 . 4.33 269 263 A 35 LEU H A 13 TYR HE% 1.0 . 4.78 270 264 A 35 LEU H A 34 GLU H 1.0 . 3.16 271 265 A 36 LEU H A 35 LEU HDy% 1.0 . 4.97 272 266 A 32 ASP HBx A 36 LEU H 1.0 . 5.00 273 267 A 36 LEU H A 32 ASP HBy 1.0 . 4.67 274 268 A 36 LEU H A 34 GLU HA 1.0 . 4.92 275 269 A 37 ALA H A 36 LEU HDx% 1.0 . 4.58 276 270 A 36 LEU HDy% A 37 ALA H 1.0 . 4.68 277 271 A 34 GLU HBx A 37 ALA H 1.0 . 5.50 278 272 A 35 LEU H A 37 ALA H 1.0 . 4.50 279 273 A 38 ALA H A 15 LEU HDx% 1.0 . 5.04 280 274 A 35 LEU HDy% A 38 ALA H 1.0 . 5.18 281 275 A 38 ALA H A 36 LEU HDy% 1.0 . 5.50 282 276 A 38 ALA H A 36 LEU HBx 1.0 . 5.43 283 277 A 38 ALA H A 40 ARG H 1.0 . 4.67 284 278 A 39 CYS H A 15 LEU HDx% 1.0 . 4.18 285 279 A 39 CYS H A 23 LEU HD21 1.0 . 4.68 286 280 A 39 CYS H A 37 ALA HB% 1.0 . 4.97 287 281 A 39 CYS H A 41 GLU H 1.0 . 4.54 288 282 A 27 ILE HD1% A 40 ARG H 1.0 . 4.58 289 283 A 40 ARG H A 23 LEU HD21 1.0 . 5.43 290 284 A 27 ILE HG2% A 40 ARG H 1.0 . 5.50 291 285 A 27 ILE HG1y A 40 ARG H 1.0 . 5.12 292 286 A 36 LEU HDy% A 40 ARG H 1.0 . 5.50 293 287 A 36 LEU HBy A 40 ARG H 1.0 . 5.36 294 288 A 38 ALA HB% A 40 ARG H 1.0 . 5.50 295 289 A 37 ALA HB% A 41 GLU H 1.0 . 4.95 296 290 A 41 GLU H A 43 PHE HBy 1.0 . 5.50 297 291 A 39 CYS HA A 41 GLU H 1.0 . 4.91 298 292 A 38 ALA H A 41 GLU H 1.0 . 4.65 299 293 A 42 GLU H A 15 LEU HDx% 1.0 . 4.45 300 294 A 42 GLU H A 23 LEU HD21 1.0 . 5.23 301 295 A 42 GLU H A 43 PHE HBy 1.0 . 5.48 302 296 A 42 GLU H A 43 PHE HBx 1.0 . 5.50 303 297 A 43 PHE H A 23 LEU HD21 1.0 . 4.70 304 298 A 23 LEU HD11 A 43 PHE H 1.0 . 4.66 305 299 A 27 ILE HD1% A 43 PHE H 1.0 . 5.50 306 300 A 43 PHE H A 40 ARG HA 1.0 . 4.36 307 301 A 47 LEU HBx A 44 HIS H 1.0 . 5.50 308 302 A 44 HIS H A 40 ARG HA 1.0 . 4.47 309 303 A 44 HIS H A 44 HIS HD2 1.0 . 5.18 310 304 A 46 ARG H A 44 HIS H 1.0 . 4.50 311 305 A 45 ARG H A 44 HIS HD2 1.0 . 5.07 312 306 A 46 ARG H A 42 GLU HA 1.0 . 4.55 313 307 A 46 ARG H A 46 ARG HE 1.0 . 5.29 314 308 A 46 ARG HE A 43 PHE HA 1.0 . 4.72 315 309 A 47 LEU H A 44 HIS HBx 1.0 . 5.50 316 310 A 47 LEU H A 44 HIS HBy 1.0 . 5.50 317 311 A 50 TYR H A 49 VAL HB 1.0 . 4.58 318 312 A 50 TYR H A 50 TYR HD% 1.0 . 4.51 319 313 A 36 LEU HDy% A 28 ASN H 1.0 . 5.00 320 314 A 26 THR H A 28 ASN H 1.0 . 4.47 321 315 A 28 ASN HD2y A 24 ARG HGx 1.0 . 5.28 322 316 A 27 ILE HG1x A 28 ASN HD2y 1.0 . 5.50 323 317 A 30 SER H A 28 ASN H 1.0 . 4.68 324 318 A 38 ALA H A 41 GLU HBx 1.0 . 5.17 325 319 A 27 ILE HG1y A 39 CYS H 1.0 . 5.50 326 320 A 39 CYS H A 36 LEU HDy% 1.0 . 5.50 327 321 A 38 ALA HB% A 41 GLU H 1.0 . 4.93 328 322 A 43 PHE H A 43 PHE HD% 1.0 . 4.70 329 323 A 45 ARG H A 44 HIS H 1.0 . 3.48 330 324 A 45 ARG H A 43 PHE HBy 1.0 . 5.40 331 325 A 46 ARG H A 43 PHE HD% 1.0 . 5.46 332 326 A 26 THR H A 25 ASP H 1.0 . 3.22 333 327 A 17 LYS H A 17 LYS HBy 1.0 . 4.17 334 328 A 18 TRP HBx A 17 LYS H 1.0 . 5.25 335 329 A 15 LEU H A 17 LYS H 1.0 . 5.19 336 330 A 23 LEU HBx A 24 ARG H 1.0 . 3.73 337 331 A 24 ARG H A 24 ARG HBx 1.0 . 3.46 338 332 A 24 ARG H A 24 ARG HGx 1.0 . 4.69 339 333 A 23 LEU H A 21 ALA HB% 1.0 . 4.76 340 334 A 22 GLU H A 22 GLU HGx 1.0 . 4.11 341 335 A 22 GLU H A 19 LYS HBy 1.0 . 3.88 342 336 A 22 GLU H A 23 LEU HG 1.0 . 5.01 343 337 A 20 TYR HBy A 22 GLU H 1.0 . 5.22 344 338 A 18 TRP HE3 A 22 GLU H 1.0 . 5.28 345 339 A 15 LEU HDy% A 17 LYS H 1.0 . 5.50 346 340 A 15 LEU HG A 14 ASP H 1.0 . 5.50 347 341 A 15 LEU HDy% A 13 TYR H 1.0 . 5.50 348 342 A 18 TRP HE1 A 18 TRP HA 1.0 . 5.00 349 343 A 18 TRP HE1 A 23 LEU HD21 1.0 . 5.18 350 344 A 15 LEU HG A 16 SER H 1.0 . 5.20 351 345 A 31 CYS H A 36 LEU HDx% 1.0 . 5.48 352 346 A 46 ARG H A 43 PHE HBy 1.0 . 5.50 353 347 A 23 LEU HD21 A 46 ARG HE 1.0 . 5.23 354 348 A 12 LYS H A 12 LYS HEx 1.0 . 5.50 355 348 A 12 LYS H A 12 LYS HEy 1.0 . 5.50 356 349 A 18 TRP HBy A 18 TRP HE3 1.0 . 4.12 357 350 A 13 TYR HE% A 34 GLU HBy 1.0 . 4.44 358 351 A 27 ILE HD1% A 43 PHE HD% 1.0 . 3.90 359 352 A 27 ILE HD1% A 40 ARG HA 1.0 . 3.78 360 353 A 27 ILE HD1% A 24 ARG HA 1.0 . 3.50 361 354 A 27 ILE HB A 27 ILE HD1% 1.0 . 3.26 362 355 A 33 ILE HB A 33 ILE HD1% 1.0 . 3.38 363 356 A 33 ILE HA A 33 ILE HD1% 1.0 . 3.87 364 357 A 20 TYR HE% A 24 ARG HDx 1.0 . 4.48 365 358 A 24 ARG HA A 24 ARG HDx 1.0 . 4.21 366 359 A 23 LEU HBx A 23 LEU HD21 1.0 . 4.19 367 360 A 23 LEU HBy A 23 LEU HD21 1.0 . 3.97 368 361 A 47 LEU HBy A 47 LEU HDy% 1.0 . 4.07 369 362 A 32 ASP HBy A 32 ASP H 1.0 . 3.93 370 363 A 32 ASP HBx A 35 LEU HBx 1.0 . 4.33 371 364 A 32 ASP HBy A 35 LEU HBx 1.0 . 4.16 372 365 A 35 LEU H A 35 LEU HBy 1.0 . 3.90 373 366 A 26 THR H A 25 ASP HBy 1.0 . 4.03 374 367 A 22 GLU HA A 25 ASP HBy 1.0 . 4.25 375 368 A 15 LEU HDx% A 15 LEU HBy 1.0 . 4.12 376 369 A 15 LEU HDy% A 15 LEU HBy 1.0 . 4.20 377 370 A 38 ALA HB% A 13 TYR HBx 1.0 . 4.12 378 371 A 15 LEU HG A 13 TYR HBx 1.0 . 4.46 379 372 A 44 HIS H A 43 PHE HBx 1.0 . 4.05 380 373 A 43 PHE H A 43 PHE HBx 1.0 . 3.65 381 374 A 34 GLU HA A 34 GLU HGx 1.0 . 3.78 382 375 A 34 GLU H A 34 GLU HGy 1.0 . 3.85 383 376 A 22 GLU HA A 22 GLU HGx 1.0 . 4.06 384 377 A 22 GLU H A 22 GLU HGy 1.0 . 4.11 385 378 A 41 GLU H A 41 GLU HGx 1.0 . 3.95 386 379 A 23 LEU HD21 A 42 GLU HGx 1.0 . 4.72 387 380 A 36 LEU H A 33 ILE HA 1.0 . 4.24 388 381 A 33 ILE HA A 33 ILE HG1x 1.0 . 3.76 389 382 A 33 ILE HA A 33 ILE HG1y 1.0 . 3.76 390 383 A 27 ILE HG1x A 27 ILE HA 1.0 . 3.87 391 384 A 35 LEU HDx% A 30 SER HBy 1.0 . 3.74 392 385 A 49 VAL HA A 48 LYS HBx 1.0 . 4.28 393 385 A 48 LYS HBy A 49 VAL HA 1.0 . 4.28 394 386 A 49 VAL H A 48 LYS HBx 1.0 . 3.96 395 386 A 49 VAL H A 48 LYS HBy 1.0 . 3.96 396 387 A 48 LYS HBx A 48 LYS HDx 1.0 . 3.49 397 387 A 48 LYS HDy A 48 LYS HBx 1.0 . 3.49 398 387 A 48 LYS HBy A 48 LYS HDy 1.0 . 3.49 399 387 A 48 LYS HBy A 48 LYS HDx 1.0 . 3.49 400 388 A 17 LYS HDy A 17 LYS HBx 1.0 . 3.94 401 388 A 17 LYS HBx A 17 LYS HDx 1.0 . 3.94 402 389 A 27 ILE HG1x A 39 CYS HBy 1.0 . 4.44 403 390 A 27 ILE HG1y A 27 ILE HA 1.0 . 3.83 404 391 A 27 ILE HG1y A 27 ILE HG2% 1.0 . 3.76 405 392 A 50 TYR H A 49 VAL HA 1.0 . 3.23 406 393 A 10 THR HA A 11 LYS HBx 1.0 . 4.55 407 393 A 10 THR HA A 11 LYS HBy 1.0 . 4.55 408 394 A 10 THR HA A 10 THR HG2% 1.0 . 3.14 409 395 A 22 GLU HBy A 22 GLU H 1.0 . 3.84 410 396 A 18 TRP HBy A 22 GLU HBy 1.0 . 4.40 411 397 A 23 LEU HG A 22 GLU HBx 1.0 . 4.32 412 398 A 22 GLU H A 22 GLU HBx 1.0 . 3.98 413 399 A 42 GLU HA A 43 PHE HA 1.0 . 4.90 414 400 A 34 GLU H A 34 GLU HBy 1.0 . 3.72 415 401 A 35 LEU H A 34 GLU HBy 1.0 . 4.23 416 402 A 43 PHE HD% A 43 PHE HA 1.0 . 3.59 417 403 A 41 GLU HBx A 38 ALA HA 1.0 . 3.47 418 404 A 11 LYS HA A 11 LYS HDx 1.0 . 4.42 419 404 A 11 LYS HA A 11 LYS HDy 1.0 . 4.42 420 405 A 48 LYS HA A 48 LYS HDx 1.0 . 4.01 421 405 A 48 LYS HDy A 48 LYS HA 1.0 . 4.01 422 406 A 40 ARG H A 40 ARG HGx 1.0 . 4.22 423 407 A 43 PHE HD% A 40 ARG HA 1.0 . 4.62 424 408 A 40 ARG HA A 40 ARG HGx 1.0 . 3.81 425 409 A 40 ARG HA A 40 ARG HGy 1.0 . 3.81 426 410 A 43 PHE HBy A 40 ARG HA 1.0 . 3.79 427 411 A 45 ARG H A 45 ARG HGy 1.0 . 4.07 428 412 A 44 HIS HA A 47 LEU HBx 1.0 . 3.91 429 413 A 34 GLU HA A 34 GLU HGy 1.0 . 3.78 430 414 A 37 ALA HB% A 34 GLU HA 1.0 . 3.48 431 415 A 45 ARG HA A 45 ARG HGx 1.0 . 3.66 432 416 A 45 ARG HA A 45 ARG HGy 1.0 . 3.66 433 417 A 27 ILE HG1x A 39 CYS HBx 1.0 . 4.44 434 418 A 27 ILE HG1y A 39 CYS HBx 1.0 . 4.84 435 419 A 27 ILE H A 24 ARG HA 1.0 . 4.37 436 420 A 27 ILE HB A 24 ARG HA 1.0 . 3.86 437 421 A 24 ARG HGx A 24 ARG HA 1.0 . 3.64 438 422 A 36 LEU HG A 36 LEU HA 1.0 . 3.98 439 423 A 18 TRP HBy A 23 LEU HG 1.0 . 4.36 440 424 A 18 TRP HE3 A 23 LEU HG 1.0 . 4.18 441 425 A 18 TRP HE3 A 23 LEU HA 1.0 . 3.76 442 426 A 23 LEU HA A 18 TRP HZ3 1.0 . 4.07 443 427 A 47 LEU H A 47 LEU HG 1.0 . 4.17 444 428 A 23 LEU HG A 23 LEU HA 1.0 . 4.15 445 429 A 25 ASP H A 22 GLU HA 1.0 . 4.15 446 430 A 22 GLU HA A 25 ASP HBx 1.0 . 4.25 447 431 A 22 GLU HA A 22 GLU HGy 1.0 . 4.06 448 432 A 19 LYS H A 18 TRP HA 1.0 . 3.00 449 433 A 18 TRP HD1 A 18 TRP HA 1.0 . 3.85 450 434 A 25 ASP H A 24 ARG HGx 1.0 . 5.12 451 435 A 35 LEU HDx% A 35 LEU HBy 1.0 . 3.22 452 436 A 50 TYR HD% A 50 TYR HA 1.0 . 3.84 453 437 A 19 LYS HA A 19 LYS HGx 1.0 . 4.09 454 438 A 28 ASN H A 25 ASP HA 1.0 . 3.88 455 439 A 13 TYR HA A 13 TYR HD% 1.0 . 3.46 456 440 A 28 ASN HBx A 25 ASP HA 1.0 . 3.49 457 441 A 23 LEU HD11 A 43 PHE HD% 1.0 . 3.79 458 442 A 23 LEU HD11 A 20 TYR HA 1.0 . 3.45 459 443 A 18 TRP HBy A 23 LEU HD11 1.0 . 4.07 460 444 A 23 LEU HD11 A 43 PHE HBx 1.0 . 4.22 461 445 A 23 LEU HBx A 23 LEU HD11 1.0 . 3.44 462 446 A 23 LEU HBy A 23 LEU HD11 1.0 . 3.51 463 447 A 24 ARG HGy A 25 ASP HA 1.0 . 5.12 464 448 A 35 LEU HG A 35 LEU HA 1.0 . 3.95 465 449 A 35 LEU HA A 13 TYR HE% 1.0 . 4.41 466 450 A 47 LEU HA A 47 LEU HDx% 1.0 . 3.99 467 451 A 43 PHE HE% A 47 LEU HDx% 1.0 . 5.48 468 452 A 36 LEU H A 36 LEU HDx% 1.0 . 3.98 469 453 A 32 ASP H A 36 LEU HDx% 1.0 . 4.36 470 454 A 23 LEU H A 23 LEU HD21 1.0 . 3.85 471 455 A 18 TRP HE3 A 23 LEU HD21 1.0 . 3.34 472 456 A 23 LEU HA A 23 LEU HD21 1.0 . 3.31 473 457 A 39 CYS HA A 23 LEU HD21 1.0 . 3.48 474 458 A 22 GLU HBx A 23 LEU HD21 1.0 . 5.26 475 459 A 13 TYR H A 12 LYS HA 1.0 . 3.37 476 460 A 12 LYS HA A 12 LYS HDx 1.0 . 3.33 477 460 A 12 LYS HDy A 12 LYS HA 1.0 . 3.33 478 461 A 11 LYS HA A 11 LYS HGx 1.0 . 4.13 479 462 A 11 LYS HA A 11 LYS HGy 1.0 . 4.13 480 463 A 19 LYS HA A 19 LYS HGy 1.0 . 4.09 481 464 A 17 LYS HA A 17 LYS HDx 1.0 . 4.37 482 464 A 17 LYS HDy A 17 LYS HA 1.0 . 4.37 483 465 A 17 LYS HA A 17 LYS HGx 1.0 . 4.06 484 466 A 17 LYS HA A 17 LYS HGy 1.0 . 4.06 485 467 A 21 ALA HA A 20 TYR HD% 1.0 . 4.22 486 468 A 21 ALA HA A 24 ARG HBx 1.0 . 3.92 487 469 A 21 ALA HA A 24 ARG HGx 1.0 . 5.11 488 470 A 21 ALA HA A 24 ARG HBy 1.0 . 3.92 489 471 A 47 LEU H A 47 LEU HDy% 1.0 . 4.23 490 472 A 43 PHE HD% A 47 LEU HDy% 1.0 . 5.31 491 473 A 43 PHE HE% A 47 LEU HDy% 1.0 . 5.48 492 474 A 47 LEU HA A 47 LEU HDy% 1.0 . 3.99 493 475 A 38 ALA HA A 41 GLU H 1.0 . 3.87 494 476 A 26 THR HG2% A 18 TRP HZ3 1.0 . 3.52 495 477 A 26 THR HG2% A 26 THR HG1 1.0 . 4.00 496 478 A 26 THR HG2% A 30 SER HBy 1.0 . 3.42 497 479 A 26 THR HG2% A 26 THR HA 1.0 . 3.31 498 480 A 26 THR HG2% A 30 SER HBx 1.0 . 3.47 499 481 A 35 LEU HDx% A 26 THR HG2% 1.0 . 3.14 500 482 A 35 LEU HDy% A 26 THR HG2% 1.0 . 3.75 501 483 A 28 ASN HD2x A 28 ASN HA 1.0 . 4.18 502 484 A 35 LEU HDy% A 18 TRP HH2 1.0 . 4.17 503 485 A 35 LEU HDy% A 13 TYR HE% 1.0 . 3.70 504 486 A 35 LEU HDy% A 35 LEU HA 1.0 . 2.97 505 487 A 34 GLU HBx A 35 LEU HDy% 1.0 . 4.71 506 488 A 35 LEU HBx A 35 LEU HDy% 1.0 . 3.68 507 489 A 35 LEU HDy% A 35 LEU HBy 1.0 . 3.18 508 490 A 35 LEU HDy% A 15 LEU HDx% 1.0 . 4.02 509 491 A 15 LEU HDy% A 35 LEU HDy% 1.0 . 3.48 510 492 A 10 THR H A 10 THR HG2% 1.0 . 3.90 511 493 A 11 LYS H A 10 THR HG2% 1.0 . 4.09 512 494 A 15 LEU HA A 18 TRP HD1 1.0 . 4.18 513 495 A 30 SER H A 29 THR HG2% 1.0 . 4.25 514 496 A 29 THR H A 29 THR HG2% 1.0 . 3.49 515 497 A 29 THR HG2% A 29 THR HA 1.0 . 2.96 516 498 A 28 ASN HBx A 29 THR HG2% 1.0 . 3.83 517 499 A 28 ASN HBy A 29 THR HG2% 1.0 . 4.03 518 500 A 50 TYR HD% A 49 VAL HGy% 1.0 . 5.22 519 501 A 49 VAL HA A 49 VAL HGy% 1.0 . 3.27 520 502 A 49 VAL H A 49 VAL HGx% 1.0 . 4.01 521 503 A 15 LEU HDy% A 18 TRP HZ2 1.0 . 4.11 522 504 A 15 LEU HDy% A 18 TRP HE3 1.0 . 5.09 523 505 A 15 LEU HDy% A 18 TRP HZ3 1.0 . 5.50 524 506 A 15 LEU HDy% A 13 TYR HD% 1.0 . 4.52 525 507 A 15 LEU HA A 15 LEU HDy% 1.0 . 3.07 526 508 A 15 LEU HDy% A 13 TYR HBx 1.0 . 3.82 527 509 A 15 LEU HDy% A 13 TYR HBy 1.0 . 4.03 528 510 A 15 LEU HDy% A 15 LEU HBx 1.0 . 4.20 529 511 A 50 TYR H A 49 VAL HGx% 1.0 . 4.47 530 512 A 50 TYR HD% A 49 VAL HGx% 1.0 . 5.22 531 513 A 49 VAL HA A 49 VAL HGx% 1.0 . 3.27 532 514 A 21 ALA H A 21 ALA HB% 1.0 . 2.91 533 515 A 20 TYR HD% A 21 ALA HB% 1.0 . 4.16 534 516 A 22 GLU H A 21 ALA HB% 1.0 . 3.38 535 517 A 20 TYR HBy A 21 ALA HB% 1.0 . 4.10 536 518 A 38 ALA HB% A 13 TYR HE% 1.0 . 4.76 537 519 A 38 ALA HB% A 35 LEU HDy% 1.0 . 3.63 538 520 A 38 ALA HB% A 13 TYR HD% 1.0 . 3.82 539 521 A 38 ALA HB% A 35 LEU HA 1.0 . 3.48 540 522 A 38 ALA HB% A 15 LEU HDx% 1.0 . 3.24 541 523 A 15 LEU HDy% A 38 ALA HB% 1.0 . 4.04 542 524 A 38 ALA HB% A 39 CYS HA 1.0 . 4.38 543 525 A 33 ILE H A 33 ILE HG2% 1.0 . 3.77 544 526 A 33 ILE HG2% A 33 ILE HA 1.0 . 3.15 545 527 A 27 ILE HG2% A 28 ASN H 1.0 . 3.87 546 528 A 27 ILE HG2% A 27 ILE HA 1.0 . 3.13 547 529 A 27 ILE HG1x A 27 ILE HG2% 1.0 . 3.62 548 530 A 26 THR HG2% A 30 SER HA 1.0 . 4.55 549 531 A 30 SER HBy A 26 THR HA 1.0 . 4.48 550 532 A 29 THR H A 30 SER HBx 1.0 . 5.40 551 533 A 32 ASP H A 27 ILE HA 1.0 . 5.50 552 534 A 27 ILE HG2% A 28 ASN HA 1.0 . 3.97 553 535 A 27 ILE HG2% A 27 ILE HD1% 1.0 . 3.03 554 536 A 27 ILE HD1% A 28 ASN HD2y 1.0 . 4.89 555 537 A 28 ASN H A 24 ARG HA 1.0 . 4.74 556 538 A 26 THR H A 24 ARG HA 1.0 . 4.75 557 539 A 24 ARG H A 24 ARG HGy 1.0 . 4.47 558 540 A 25 ASP H A 24 ARG HGy 1.0 . 4.78 559 541 A 23 LEU HBx A 43 PHE HD% 1.0 . 4.62 560 542 A 23 LEU HBx A 43 PHE HE% 1.0 . 5.14 561 543 A 23 LEU HD11 A 46 ARG HE 1.0 . 4.45 562 544 A 18 TRP HBy A 22 GLU HBx 1.0 . 4.76 563 545 A 18 TRP HE3 A 22 GLU HBx 1.0 . 4.59 564 546 A 22 GLU HBx A 18 TRP HZ3 1.0 . 5.23 565 547 A 19 LYS H A 22 GLU HBx 1.0 . 4.70 566 548 A 22 GLU HBy A 18 TRP HE3 1.0 . 4.51 567 549 A 24 ARG H A 21 ALA HB% 1.0 . 5.21 568 550 A 19 LYS H A 19 LYS HGy 1.0 . 4.31 569 551 A 19 LYS HA A 19 LYS HDx 1.0 . 4.55 570 552 A 19 LYS H A 19 LYS HDx 1.0 . 4.82 571 553 A 19 LYS H A 19 LYS HDy 1.0 . 4.82 572 554 A 23 LEU HD21 A 18 TRP HZ3 1.0 . 4.97 573 555 A 35 LEU HDx% A 18 TRP HH2 1.0 . 4.80 574 556 A 26 THR HG2% A 18 TRP HH2 1.0 . 4.90 575 557 A 15 LEU HA A 15 LEU HDx% 1.0 . 4.46 576 558 A 48 LYS H A 48 LYS HGx 1.0 . 4.85 577 559 A 48 LYS H A 48 LYS HGy 1.0 . 4.85 578 560 A 48 LYS H A 47 LEU HBx 1.0 . 4.59 579 561 A 32 ASP H A 31 CYS HBy 1.0 . 4.59 580 562 A 32 ASP HA A 33 ILE HA 1.0 . 4.44 581 563 A 32 ASP HBx A 35 LEU HG 1.0 . 5.38 582 564 A 32 ASP HA A 33 ILE HB 1.0 . 4.94 583 565 A 33 ILE HG2% A 33 ILE HG1y 1.0 . 3.45 584 566 A 33 ILE HG2% A 33 ILE HG1x 1.0 . 3.45 585 567 A 34 GLU HBx A 13 TYR HE% 1.0 . 4.70 586 568 A 36 LEU H A 35 LEU HBx 1.0 . 4.44 587 569 A 32 ASP HBy A 35 LEU HBy 1.0 . 4.56 588 570 A 32 ASP HBx A 35 LEU HBy 1.0 . 4.72 589 571 A 35 LEU HDy% A 39 CYS H 1.0 . 4.77 590 572 A 36 LEU HG A 30 SER HBy 1.0 . 5.50 591 573 A 27 ILE HG1y A 39 CYS HBy 1.0 . 4.84 592 574 A 40 ARG H A 40 ARG HDy 1.0 . 4.98 593 575 A 38 ALA HB% A 41 GLU HBx 1.0 . 4.71 594 576 A 23 LEU HD21 A 42 GLU HBy 1.0 . 5.12 595 577 A 23 LEU HD21 A 42 GLU HGy 1.0 . 4.72 596 578 A 46 ARG H A 43 PHE HA 1.0 . 4.47 597 579 A 27 ILE HD1% A 43 PHE HBy 1.0 . 5.27 598 580 A 44 HIS HA A 44 HIS HD2 1.0 . 4.41 599 581 A 45 ARG HA A 44 HIS HBx 1.0 . 5.50 600 582 A 45 ARG HA A 44 HIS HBy 1.0 . 5.50 601 583 A 20 TYR HE% A 24 ARG HDy 1.0 . 4.48 602 584 A 46 ARG HA A 46 ARG HDx 1.0 . 4.67 603 585 A 46 ARG HA A 46 ARG HDy 1.0 . 4.67 604 586 A 23 LEU HD11 A 46 ARG HDy 1.0 . 4.91 605 587 A 47 LEU HBy A 47 LEU HDx% 1.0 . 4.07 606 588 A 28 ASN HD2y A 28 ASN HA 1.0 . 4.11 607 589 A 27 ILE HG2% A 28 ASN HBx 1.0 . 5.28 608 590 A 36 LEU HDx% A 31 CYS HA 1.0 . 3.44 609 591 A 31 CYS H A 31 CYS HBx 1.0 . 4.00 610 592 A 32 ASP HBy A 35 LEU HG 1.0 . 5.10 611 593 A 36 LEU HBx A 33 ILE HA 1.0 . 3.48 612 594 A 33 ILE HG2% A 34 GLU HA 1.0 . 4.18 613 595 A 33 ILE H A 33 ILE HD1% 1.0 . 4.05 614 596 A 35 LEU HA A 13 TYR HD% 1.0 . 4.90 615 597 A 15 LEU HDy% A 35 LEU HDx% 1.0 . 5.50 616 598 A 32 ASP HBx A 35 LEU HDx% 1.0 . 4.61 617 599 A 32 ASP HBy A 35 LEU HDx% 1.0 . 4.16 618 600 A 35 LEU HDx% A 35 LEU HA 1.0 . 3.89 619 601 A 35 LEU HDx% A 13 TYR HE% 1.0 . 4.59 620 602 A 35 LEU HDy% A 18 TRP HZ2 1.0 . 4.37 621 603 A 35 LEU HDy% A 30 SER HBy 1.0 . 5.50 622 604 A 35 LEU HDy% A 13 TYR HBx 1.0 . 4.85 623 605 A 35 LEU HDy% A 13 TYR HBy 1.0 . 5.12 624 606 A 39 CYS H A 36 LEU HA 1.0 . 4.34 625 607 A 36 LEU HDx% A 36 LEU HA 1.0 . 3.99 626 608 A 24 ARG HGy A 24 ARG HA 1.0 . 3.95 627 609 A 27 ILE HG2% A 24 ARG HA 1.0 . 4.59 628 610 A 36 LEU HG A 37 ALA H 1.0 . 4.74 629 611 A 33 ILE HA A 36 LEU HDx% 1.0 . 3.14 630 612 A 36 LEU HBx A 36 LEU HDx% 1.0 . 3.15 631 613 A 36 LEU HBy A 36 LEU HDx% 1.0 . 3.14 632 614 A 36 LEU HBy A 36 LEU HDy% 1.0 . 3.26 633 615 A 36 LEU HBx A 36 LEU HDy% 1.0 . 3.45 634 616 A 36 LEU HDy% A 27 ILE HA 1.0 . 2.86 635 617 A 36 LEU HDy% A 36 LEU HA 1.0 . 3.02 636 618 A 30 SER HBy A 36 LEU HDy% 1.0 . 4.28 637 619 A 37 ALA HB% A 37 ALA H 1.0 . 2.80 638 620 A 37 ALA HB% A 36 LEU HBx 1.0 . 4.01 639 621 A 37 ALA HB% A 38 ALA HA 1.0 . 4.45 640 622 A 15 LEU HG A 38 ALA HB% 1.0 . 4.12 641 623 A 23 LEU HD11 A 39 CYS HA 1.0 . 4.53 642 624 A 43 PHE H A 39 CYS HA 1.0 . 4.67 643 625 A 40 ARG H A 40 ARG HDx 1.0 . 4.98 644 626 A 42 GLU HA A 45 ARG HDy 1.0 . 4.66 645 627 A 42 GLU HA A 45 ARG HDx 1.0 . 4.66 646 628 A 23 LEU HD21 A 42 GLU HBx 1.0 . 5.12 647 629 A 46 ARG HE A 42 GLU HGy 1.0 . 5.09 648 630 A 43 PHE HA A 46 ARG HDx 1.0 . 4.64 649 631 A 23 LEU HD21 A 43 PHE HA 1.0 . 5.50 650 632 A 43 PHE H A 43 PHE HBy 1.0 . 3.58 651 633 A 43 PHE HBx A 40 ARG HA 1.0 . 4.11 652 634 A 47 LEU HBy A 44 HIS HA 1.0 . 4.80 653 635 A 44 HIS HA A 43 PHE HBy 1.0 . 4.61 654 636 A 47 LEU H A 45 ARG HA 1.0 . 4.82 655 637 A 46 ARG H A 46 ARG HGx 1.0 . 4.24 656 638 A 43 PHE HA A 46 ARG HDy 1.0 . 4.64 657 639 A 23 LEU HD11 A 46 ARG HDx 1.0 . 4.91 658 640 A 44 HIS HA A 47 LEU HG 1.0 . 4.56 659 641 A 29 THR HB A 26 THR HA 1.0 . 5.38 660 642 A 27 ILE HD1% A 27 ILE HA 1.0 . 4.33 661 643 A 26 THR HA A 30 SER HBx 1.0 . 4.42 662 644 A 36 LEU HG A 27 ILE HA 1.0 . 4.42 663 645 A 26 THR H A 27 ILE HA 1.0 . 5.50 664 646 A 27 ILE HD1% A 39 CYS HBy 1.0 . 3.97 665 647 A 27 ILE HD1% A 39 CYS HBx 1.0 . 3.97 666 648 A 26 THR HB A 23 LEU HA 1.0 . 4.27 667 649 A 26 THR HB A 18 TRP HZ3 1.0 . 4.27 668 650 A 24 ARG HA A 24 ARG HDy 1.0 . 4.21 669 651 A 24 ARG H A 24 ARG HDx 1.0 . 5.00 670 652 A 24 ARG H A 24 ARG HDy 1.0 . 5.00 671 653 A 23 LEU HD11 A 23 LEU HA 1.0 . 4.71 672 654 A 23 LEU HBy A 43 PHE HD% 1.0 . 4.46 673 655 A 15 LEU HDy% A 23 LEU HD21 1.0 . 4.09 674 656 A 23 LEU HD21 A 15 LEU HDx% 1.0 . 3.48 675 657 A 18 TRP HBy A 23 LEU HD21 1.0 . 4.12 676 658 A 18 TRP HBx A 23 LEU HD21 1.0 . 4.51 677 659 A 23 LEU HD11 A 15 LEU HDx% 1.0 . 4.97 678 660 A 21 ALA HB% A 22 GLU HA 1.0 . 4.50 679 661 A 26 THR H A 22 GLU HA 1.0 . 4.73 680 662 A 22 GLU HBy A 21 ALA HB% 1.0 . 4.68 681 663 A 19 LYS H A 22 GLU HGy 1.0 . 5.38 682 664 A 19 LYS H A 22 GLU HGx 1.0 . 5.38 683 665 A 21 ALA HB% A 22 GLU HGy 1.0 . 4.92 684 666 A 21 ALA HB% A 22 GLU HGx 1.0 . 4.92 685 667 A 23 LEU HD21 A 20 TYR HA 1.0 . 5.39 686 668 A 23 LEU HBy A 20 TYR HA 1.0 . 4.86 687 669 A 23 LEU HG A 20 TYR HA 1.0 . 4.95 688 670 A 20 TYR HE% A 20 TYR HA 1.0 . 4.81 689 671 A 22 GLU H A 20 TYR HA 1.0 . 4.75 690 672 A 23 LEU HBx A 20 TYR HA 1.0 . 4.34 691 673 A 20 TYR HD% A 20 TYR HA 1.0 . 3.80 692 674 A 23 LEU H A 20 TYR HA 1.0 . 4.43 693 675 A 19 LYS HA A 20 TYR HBx 1.0 . 5.04 694 676 A 22 GLU HBy A 18 TRP HA 1.0 . 4.56 695 677 A 23 LEU HD11 A 18 TRP HBx 1.0 . 5.50 696 678 A 17 LYS HDy A 17 LYS HBy 1.0 . 3.94 697 678 A 17 LYS HBy A 17 LYS HDx 1.0 . 3.94 698 679 A 15 LEU HA A 17 LYS H 1.0 . 4.61 699 680 A 35 LEU HBx A 35 LEU HDx% 1.0 . 3.43 700 681 A 15 LEU HDx% A 15 LEU HBx 1.0 . 4.12 701 682 A 15 LEU HDx% A 42 GLU HBy 1.0 . 4.66 702 683 A 15 LEU HDx% A 42 GLU HBx 1.0 . 4.66 703 684 A 13 TYR HBx A 15 LEU HDx% 1.0 . 4.86 704 685 A 13 TYR HBy A 15 LEU HDx% 1.0 . 5.50 705 686 A 39 CYS HA A 15 LEU HDx% 1.0 . 3.35 706 687 A 38 ALA HA A 15 LEU HDx% 1.0 . 4.61 707 688 A 13 TYR HD% A 15 LEU HDx% 1.0 . 5.03 708 689 A 15 LEU HDy% A 13 TYR HA 1.0 . 4.81 709 690 A 15 LEU HDy% A 18 TRP HD1 1.0 . 4.35 710 691 A 14 ASP HA A 15 LEU HG 1.0 . 4.39 711 692 A 11 LYS HBx A 11 LYS HEx 1.0 . 4.65 712 692 A 11 LYS HBy A 11 LYS HEx 1.0 . 4.65 713 692 A 11 LYS HEy A 11 LYS HBx 1.0 . 4.65 714 692 A 11 LYS HBy A 11 LYS HEy 1.0 . 4.65 715 693 A 11 LYS H A 10 THR HB 1.0 . 4.26 716 694 A 46 ARG HE A 42 GLU HGx 1.0 . 5.09 717 695 A 43 PHE HD% A 47 LEU HDx% 1.0 . 5.31 718 696 A 30 SER HBy A 29 THR H 1.0 . 5.09 719 697 A 27 ILE HD1% A 43 PHE HBx 1.0 . 4.47 720 698 A 18 TRP HE3 A 15 LEU HDx% 1.0 . 5.50 721 699 A 43 PHE HE% A 24 ARG HGy 1.0 . 5.50 722 700 A 20 TYR HBy A 21 ALA HA 1.0 . 4.60 723 701 A 23 LEU H A 21 ALA HA 1.0 . 4.89 724 702 A 19 LYS HA A 19 LYS HDy 1.0 . 4.55 725 703 A 13 TYR HD% A 12 LYS HBx 1.0 . 5.50 726 704 A 13 TYR HD% A 12 LYS HBy 1.0 . 5.50 727 705 A 11 LYS H A 11 LYS HGy 1.0 . 5.05 728 706 A 48 LYS H A 48 LYS HDx 1.0 . 5.06 729 706 A 48 LYS H A 48 LYS HDy 1.0 . 5.06 730 707 A 49 VAL H A 48 LYS HDx 1.0 . 5.50 731 707 A 49 VAL H A 48 LYS HDy 1.0 . 5.50 732 708 A 34 GLU H A 33 ILE HD1% 1.0 . 4.73 733 709 A 34 GLU HBx A 35 LEU HA 1.0 . 4.95 734 710 A 34 GLU HBx A 35 LEU HG 1.0 . 4.99 735 711 A 36 LEU H A 35 LEU HDx% 1.0 . 4.72 736 712 A 23 LEU HD11 A 43 PHE HA 1.0 . 4.16 737 713 A 51 HIS H A 50 TYR HBx 1.0 . 4.76 738 714 A 13 TYR HD% A 12 LYS HA 1.0 . 4.82 739 715 A 13 TYR HE% A 12 LYS HBx 1.0 . 5.50 740 716 A 13 TYR HE% A 12 LYS HBy 1.0 . 5.50 741 717 A 13 TYR HE% A 12 LYS HDx 1.0 . 5.50 742 717 A 12 LYS HDy A 13 TYR HE% 1.0 . 5.50 743 718 A 11 LYS H A 11 LYS HGy 1.0 . 4.22 744 718 A 11 LYS H A 11 LYS HGx 1.0 . 4.22 745 719 A 11 LYS HA A 11 LYS HGy 1.0 . 3.59 746 719 A 11 LYS HA A 11 LYS HGx 1.0 . 3.59 747 720 A 12 LYS H A 11 LYS HGy 1.0 . 4.41 748 720 A 12 LYS H A 11 LYS HGx 1.0 . 4.41 749 721 A 12 LYS H A 12 LYS HBy 1.0 . 3.09 750 721 A 12 LYS H A 12 LYS HBx 1.0 . 3.09 751 722 A 12 LYS H A 12 LYS HGy 1.0 . 3.68 752 722 A 12 LYS H A 12 LYS HGx 1.0 . 3.68 753 723 A 12 LYS HA A 12 LYS HGy 1.0 . 3.59 754 723 A 12 LYS HA A 12 LYS HGx 1.0 . 3.59 755 724 A 13 TYR H A 12 LYS HBy 1.0 . 3.39 756 724 A 13 TYR H A 12 LYS HBx 1.0 . 3.39 757 725 A 13 TYR H A 12 LYS HGy 1.0 . 4.10 758 725 A 13 TYR H A 12 LYS HGx 1.0 . 4.10 759 726 A 13 TYR HE% A 34 GLU HGx 1.0 . 5.02 760 726 A 13 TYR HE% A 34 GLU HGy 1.0 . 5.02 761 727 A 14 ASP H A 14 ASP HBy 1.0 . 3.53 762 727 A 14 ASP H A 14 ASP HBx 1.0 . 3.53 763 728 A 15 LEU H A 14 ASP HBy 1.0 . 4.07 764 728 A 15 LEU H A 14 ASP HBx 1.0 . 4.07 765 729 A 15 LEU H A 15 LEU HBx 1.0 . 3.51 766 729 A 15 LEU H A 15 LEU HBy 1.0 . 3.51 767 730 A 16 SER H A 15 LEU HBx 1.0 . 4.10 768 730 A 16 SER H A 15 LEU HBy 1.0 . 4.10 769 731 A 16 SER HA A 15 LEU HBx 1.0 . 5.08 770 731 A 16 SER HA A 15 LEU HBy 1.0 . 5.08 771 732 A 15 LEU HBy A 42 GLU HBy 1.0 . 4.27 772 732 A 42 GLU HBx A 15 LEU HBx 1.0 . 4.27 773 732 A 15 LEU HBy A 42 GLU HBx 1.0 . 4.27 774 732 A 15 LEU HBx A 42 GLU HBy 1.0 . 4.27 775 733 A 15 LEU HBy A 42 GLU HGx 1.0 . 4.46 776 733 A 15 LEU HBx A 42 GLU HGx 1.0 . 4.46 777 733 A 42 GLU HGy A 15 LEU HBx 1.0 . 4.46 778 733 A 15 LEU HBy A 42 GLU HGy 1.0 . 4.46 779 734 A 15 LEU HDx% A 42 GLU HBy 1.0 . 4.01 780 734 A 15 LEU HDx% A 42 GLU HBx 1.0 . 4.01 781 735 A 15 LEU HDx% A 42 GLU HGx 1.0 . 4.75 782 735 A 15 LEU HDx% A 42 GLU HGy 1.0 . 4.75 783 736 A 16 SER H A 16 SER HBx 1.0 . 2.99 784 736 A 16 SER H A 16 SER HBy 1.0 . 2.99 785 737 A 17 LYS H A 16 SER HBx 1.0 . 4.08 786 737 A 17 LYS H A 16 SER HBy 1.0 . 4.08 787 738 A 17 LYS H A 17 LYS HBy 1.0 . 3.40 788 738 A 17 LYS H A 17 LYS HBx 1.0 . 3.40 789 739 A 17 LYS H A 17 LYS HGy 1.0 . 3.69 790 739 A 17 LYS H A 17 LYS HGx 1.0 . 3.69 791 740 A 17 LYS HA A 17 LYS HGy 1.0 . 3.41 792 740 A 17 LYS HA A 17 LYS HGx 1.0 . 3.41 793 741 A 17 LYS HBx A 17 LYS HDx 1.0 . 3.42 794 741 A 17 LYS HBy A 17 LYS HDx 1.0 . 3.42 795 741 A 17 LYS HDy A 17 LYS HBy 1.0 . 3.42 796 741 A 17 LYS HDy A 17 LYS HBx 1.0 . 3.42 797 742 A 18 TRP H A 17 LYS HGy 1.0 . 5.04 798 742 A 18 TRP H A 17 LYS HGx 1.0 . 5.04 799 743 A 19 LYS H A 19 LYS HBy 1.0 . 3.41 800 743 A 19 LYS H A 19 LYS HBx 1.0 . 3.41 801 744 A 19 LYS H A 19 LYS HGy 1.0 . 3.61 802 744 A 19 LYS H A 19 LYS HGx 1.0 . 3.61 803 745 A 19 LYS H A 19 LYS HDy 1.0 . 4.23 804 745 A 19 LYS H A 19 LYS HDx 1.0 . 4.23 805 746 A 19 LYS HA A 19 LYS HGy 1.0 . 3.57 806 746 A 19 LYS HA A 19 LYS HGx 1.0 . 3.57 807 747 A 20 TYR H A 19 LYS HBy 1.0 . 3.94 808 747 A 20 TYR H A 19 LYS HBx 1.0 . 3.94 809 748 A 21 ALA H A 19 LYS HBy 1.0 . 3.45 810 748 A 21 ALA H A 19 LYS HBx 1.0 . 3.45 811 749 A 21 ALA HB% A 19 LYS HBy 1.0 . 3.64 812 749 A 21 ALA HB% A 19 LYS HBx 1.0 . 3.64 813 750 A 22 GLU H A 19 LYS HBy 1.0 . 3.29 814 750 A 22 GLU H A 19 LYS HBx 1.0 . 3.29 815 751 A 19 LYS HBy A 22 GLU HGx 1.0 . 3.56 816 751 A 19 LYS HBx A 22 GLU HGx 1.0 . 3.56 817 751 A 22 GLU HGy A 19 LYS HBy 1.0 . 3.56 818 751 A 19 LYS HBx A 22 GLU HGy 1.0 . 3.56 819 752 A 20 TYR HE% A 24 ARG HDx 1.0 . 3.92 820 752 A 20 TYR HE% A 24 ARG HDy 1.0 . 3.92 821 753 A 21 ALA HA A 24 ARG HBy 1.0 . 3.42 822 753 A 21 ALA HA A 24 ARG HBx 1.0 . 3.42 823 754 A 22 GLU H A 22 GLU HGx 1.0 . 3.52 824 754 A 22 GLU H A 22 GLU HGy 1.0 . 3.52 825 755 A 22 GLU HA A 22 GLU HGx 1.0 . 3.38 826 755 A 22 GLU HA A 22 GLU HGy 1.0 . 3.38 827 756 A 22 GLU HA A 25 ASP HBy 1.0 . 3.44 828 756 A 22 GLU HA A 25 ASP HBx 1.0 . 3.44 829 757 A 23 LEU H A 24 ARG HBy 1.0 . 4.94 830 757 A 23 LEU H A 24 ARG HBx 1.0 . 4.94 831 758 A 23 LEU HD11 A 42 GLU HGx 1.0 . 3.94 832 758 A 23 LEU HD11 A 42 GLU HGy 1.0 . 3.94 833 759 A 23 LEU HD11 A 46 ARG HDx 1.0 . 4.19 834 759 A 23 LEU HD11 A 46 ARG HDy 1.0 . 4.19 835 760 A 23 LEU HD21 A 39 CYS HBx 1.0 . 4.86 836 760 A 23 LEU HD21 A 39 CYS HBy 1.0 . 4.86 837 761 A 23 LEU HD21 A 42 GLU HBy 1.0 . 4.43 838 761 A 23 LEU HD21 A 42 GLU HBx 1.0 . 4.43 839 762 A 23 LEU HD21 A 42 GLU HGx 1.0 . 3.95 840 762 A 23 LEU HD21 A 42 GLU HGy 1.0 . 3.95 841 763 A 23 LEU HD21 A 46 ARG HDx 1.0 . 5.34 842 763 A 23 LEU HD21 A 46 ARG HDy 1.0 . 5.34 843 764 A 24 ARG H A 24 ARG HDx 1.0 . 4.36 844 764 A 24 ARG H A 24 ARG HDy 1.0 . 4.36 845 765 A 24 ARG H A 25 ASP HBy 1.0 . 4.93 846 765 A 24 ARG H A 25 ASP HBx 1.0 . 4.93 847 766 A 24 ARG HBy A 24 ARG HDx 1.0 . 3.12 848 766 A 24 ARG HBx A 24 ARG HDx 1.0 . 3.12 849 766 A 24 ARG HDy A 24 ARG HBy 1.0 . 3.12 850 766 A 24 ARG HDy A 24 ARG HBx 1.0 . 3.12 851 767 A 25 ASP H A 24 ARG HBy 1.0 . 3.04 852 767 A 25 ASP H A 24 ARG HBx 1.0 . 3.04 853 768 A 26 THR H A 24 ARG HBy 1.0 . 5.28 854 768 A 26 THR H A 24 ARG HBx 1.0 . 5.28 855 769 A 43 PHE HE% A 24 ARG HBy 1.0 . 4.59 856 769 A 43 PHE HE% A 24 ARG HBx 1.0 . 4.59 857 770 A 25 ASP H A 24 ARG HDx 1.0 . 5.34 858 770 A 25 ASP H A 24 ARG HDy 1.0 . 5.34 859 771 A 27 ILE HG2% A 24 ARG HDx 1.0 . 5.34 860 771 A 27 ILE HG2% A 24 ARG HDy 1.0 . 5.34 861 772 A 43 PHE HE% A 24 ARG HDx 1.0 . 4.25 862 772 A 43 PHE HE% A 24 ARG HDy 1.0 . 4.25 863 773 A 25 ASP H A 25 ASP HBy 1.0 . 2.90 864 773 A 25 ASP H A 25 ASP HBx 1.0 . 2.90 865 774 A 26 THR H A 25 ASP HBy 1.0 . 3.36 866 774 A 26 THR H A 25 ASP HBx 1.0 . 3.36 867 775 A 27 ILE HG2% A 40 ARG HDx 1.0 . 4.29 868 775 A 27 ILE HG2% A 40 ARG HDy 1.0 . 4.29 869 776 A 27 ILE HG1y A 39 CYS HBx 1.0 . 4.07 870 776 A 27 ILE HG1y A 39 CYS HBy 1.0 . 4.07 871 777 A 27 ILE HD1% A 39 CYS HBx 1.0 . 3.30 872 777 A 27 ILE HD1% A 39 CYS HBy 1.0 . 3.30 873 778 A 27 ILE HD1% A 40 ARG HGy 1.0 . 4.02 874 778 A 27 ILE HD1% A 40 ARG HGx 1.0 . 4.02 875 779 A 30 SER HA A 31 CYS HBx 1.0 . 4.42 876 779 A 30 SER HA A 31 CYS HBy 1.0 . 4.42 877 780 A 31 CYS H A 31 CYS HBx 1.0 . 3.37 878 780 A 31 CYS H A 31 CYS HBy 1.0 . 3.37 879 781 A 32 ASP H A 31 CYS HBx 1.0 . 3.83 880 781 A 32 ASP H A 31 CYS HBy 1.0 . 3.83 881 782 A 32 ASP HA A 33 ILE HG1x 1.0 . 4.74 882 782 A 32 ASP HA A 33 ILE HG1y 1.0 . 4.74 883 783 A 33 ILE HA A 33 ILE HG1x 1.0 . 3.24 884 783 A 33 ILE HA A 33 ILE HG1y 1.0 . 3.24 885 784 A 33 ILE HG2% A 33 ILE HG1x 1.0 . 3.02 886 784 A 33 ILE HG2% A 33 ILE HG1y 1.0 . 3.02 887 785 A 33 ILE HG2% A 34 GLU HGx 1.0 . 4.70 888 785 A 33 ILE HG2% A 34 GLU HGy 1.0 . 4.70 889 786 A 34 GLU H A 33 ILE HG1x 1.0 . 4.06 890 786 A 34 GLU H A 33 ILE HG1y 1.0 . 4.06 891 787 A 34 GLU H A 34 GLU HGx 1.0 . 3.27 892 787 A 34 GLU H A 34 GLU HGy 1.0 . 3.27 893 788 A 35 LEU H A 34 GLU HGx 1.0 . 4.04 894 788 A 35 LEU H A 34 GLU HGy 1.0 . 4.04 895 789 A 36 LEU HA A 39 CYS HBx 1.0 . 3.77 896 789 A 36 LEU HA A 39 CYS HBy 1.0 . 3.77 897 790 A 37 ALA HA A 40 ARG HBx 1.0 . 3.57 898 790 A 37 ALA HA A 40 ARG HBy 1.0 . 3.57 899 791 A 37 ALA HA A 40 ARG HDx 1.0 . 4.19 900 791 A 37 ALA HA A 40 ARG HDy 1.0 . 4.19 901 792 A 38 ALA H A 39 CYS HBx 1.0 . 4.84 902 792 A 38 ALA H A 39 CYS HBy 1.0 . 4.84 903 793 A 38 ALA H A 40 ARG HBx 1.0 . 5.34 904 793 A 38 ALA H A 40 ARG HBy 1.0 . 5.34 905 794 A 38 ALA H A 41 GLU HGx 1.0 . 5.17 906 794 A 38 ALA H A 41 GLU HGy 1.0 . 5.17 907 795 A 38 ALA HA A 41 GLU HGx 1.0 . 4.15 908 795 A 38 ALA HA A 41 GLU HGy 1.0 . 4.15 909 796 A 38 ALA HB% A 39 CYS HBx 1.0 . 5.34 910 796 A 38 ALA HB% A 39 CYS HBy 1.0 . 5.34 911 797 A 38 ALA HB% A 41 GLU HGx 1.0 . 5.34 912 797 A 38 ALA HB% A 41 GLU HGy 1.0 . 5.34 913 798 A 39 CYS H A 39 CYS HBx 1.0 . 3.20 914 798 A 39 CYS H A 39 CYS HBy 1.0 . 3.20 915 799 A 39 CYS H A 40 ARG HBx 1.0 . 4.88 916 799 A 39 CYS H A 40 ARG HBy 1.0 . 4.88 917 800 A 39 CYS HA A 42 GLU HBy 1.0 . 4.17 918 800 A 39 CYS HA A 42 GLU HBx 1.0 . 4.17 919 801 A 39 CYS HA A 42 GLU HGx 1.0 . 5.09 920 801 A 39 CYS HA A 42 GLU HGy 1.0 . 5.09 921 802 A 40 ARG H A 39 CYS HBx 1.0 . 3.41 922 802 A 40 ARG H A 39 CYS HBy 1.0 . 3.41 923 803 A 39 CYS HBx A 40 ARG HBx 1.0 . 4.56 924 803 A 39 CYS HBy A 40 ARG HBx 1.0 . 4.56 925 803 A 40 ARG HBy A 39 CYS HBx 1.0 . 4.56 926 803 A 39 CYS HBy A 40 ARG HBy 1.0 . 4.56 927 804 A 40 ARG H A 40 ARG HBx 1.0 . 3.02 928 804 A 40 ARG H A 40 ARG HBy 1.0 . 3.02 929 805 A 40 ARG H A 40 ARG HGy 1.0 . 3.63 930 805 A 40 ARG H A 40 ARG HGx 1.0 . 3.63 931 806 A 40 ARG H A 40 ARG HDx 1.0 . 4.30 932 806 A 40 ARG H A 40 ARG HDy 1.0 . 4.30 933 807 A 40 ARG HBx A 40 ARG HDx 1.0 . 2.93 934 807 A 40 ARG HDy A 40 ARG HBx 1.0 . 2.93 935 807 A 40 ARG HDy A 40 ARG HBy 1.0 . 2.93 936 807 A 40 ARG HBy A 40 ARG HDx 1.0 . 2.93 937 808 A 41 GLU H A 40 ARG HBx 1.0 . 3.32 938 808 A 41 GLU H A 40 ARG HBy 1.0 . 3.32 939 809 A 41 GLU H A 40 ARG HGy 1.0 . 5.19 940 809 A 41 GLU H A 40 ARG HGx 1.0 . 5.19 941 810 A 41 GLU H A 40 ARG HDx 1.0 . 5.34 942 810 A 41 GLU H A 40 ARG HDy 1.0 . 5.34 943 811 A 41 GLU H A 41 GLU HGx 1.0 . 3.45 944 811 A 41 GLU H A 41 GLU HGy 1.0 . 3.45 945 812 A 41 GLU H A 42 GLU HGx 1.0 . 5.34 946 812 A 41 GLU H A 42 GLU HGy 1.0 . 5.34 947 813 A 41 GLU HA A 41 GLU HGx 1.0 . 3.48 948 813 A 41 GLU HA A 41 GLU HGy 1.0 . 3.48 949 814 A 41 GLU HA A 44 HIS HBy 1.0 . 3.69 950 814 A 41 GLU HA A 44 HIS HBx 1.0 . 3.69 951 815 A 42 GLU H A 42 GLU HBy 1.0 . 3.17 952 815 A 42 GLU H A 42 GLU HBx 1.0 . 3.17 953 816 A 42 GLU H A 42 GLU HGx 1.0 . 4.12 954 816 A 42 GLU H A 42 GLU HGy 1.0 . 4.12 955 817 A 42 GLU HA A 45 ARG HBx 1.0 . 3.73 956 817 A 42 GLU HA A 45 ARG HBy 1.0 . 3.73 957 818 A 43 PHE H A 42 GLU HBy 1.0 . 3.64 958 818 A 43 PHE H A 42 GLU HBx 1.0 . 3.64 959 819 A 43 PHE HA A 42 GLU HBy 1.0 . 4.87 960 819 A 43 PHE HA A 42 GLU HBx 1.0 . 4.87 961 820 A 42 GLU HBx A 46 ARG HDx 1.0 . 4.08 962 820 A 42 GLU HBy A 46 ARG HDx 1.0 . 4.08 963 820 A 46 ARG HDy A 42 GLU HBy 1.0 . 4.08 964 820 A 42 GLU HBx A 46 ARG HDy 1.0 . 4.08 965 821 A 43 PHE H A 44 HIS HBy 1.0 . 4.81 966 821 A 43 PHE H A 44 HIS HBx 1.0 . 4.81 967 822 A 43 PHE HA A 46 ARG HBy 1.0 . 4.17 968 822 A 43 PHE HA A 46 ARG HBx 1.0 . 4.17 969 823 A 43 PHE HA A 46 ARG HGy 1.0 . 4.60 970 823 A 43 PHE HA A 46 ARG HGx 1.0 . 4.60 971 824 A 43 PHE HA A 46 ARG HDx 1.0 . 3.92 972 824 A 43 PHE HA A 46 ARG HDy 1.0 . 3.92 973 825 A 43 PHE HBx A 47 LEU HDy% 1.0 . 5.44 974 825 A 43 PHE HBx A 47 LEU HDx% 1.0 . 5.44 975 826 A 43 PHE HBy A 47 LEU HDy% 1.0 . 4.95 976 826 A 43 PHE HBy A 47 LEU HDx% 1.0 . 4.95 977 827 A 43 PHE HD% A 47 LEU HDy% 1.0 . 4.15 978 827 A 43 PHE HD% A 47 LEU HDx% 1.0 . 4.15 979 828 A 43 PHE HE% A 47 LEU HDy% 1.0 . 4.40 980 828 A 43 PHE HE% A 47 LEU HDx% 1.0 . 4.40 981 829 A 44 HIS H A 44 HIS HBy 1.0 . 2.92 982 829 A 44 HIS H A 44 HIS HBx 1.0 . 2.92 983 830 A 44 HIS H A 45 ARG HBx 1.0 . 4.73 984 830 A 44 HIS H A 45 ARG HBy 1.0 . 4.73 985 831 A 44 HIS H A 47 LEU HDy% 1.0 . 4.89 986 831 A 44 HIS H A 47 LEU HDx% 1.0 . 4.89 987 832 A 44 HIS HA A 47 LEU HDy% 1.0 . 3.88 988 832 A 44 HIS HA A 47 LEU HDx% 1.0 . 3.88 989 833 A 45 ARG H A 44 HIS HBy 1.0 . 3.43 990 833 A 45 ARG H A 44 HIS HBx 1.0 . 3.43 991 834 A 45 ARG HA A 44 HIS HBy 1.0 . 4.68 992 834 A 45 ARG HA A 44 HIS HBx 1.0 . 4.68 993 835 A 46 ARG H A 44 HIS HBy 1.0 . 5.34 994 835 A 46 ARG H A 44 HIS HBx 1.0 . 5.34 995 836 A 45 ARG H A 45 ARG HBx 1.0 . 2.94 996 836 A 45 ARG H A 45 ARG HBy 1.0 . 2.94 997 837 A 45 ARG H A 45 ARG HGy 1.0 . 3.57 998 837 A 45 ARG H A 45 ARG HGx 1.0 . 3.57 999 838 A 45 ARG H A 45 ARG HDx 1.0 . 5.34 1000 838 A 45 ARG H A 45 ARG HDy 1.0 . 5.34 1001 839 A 45 ARG HA A 45 ARG HGy 1.0 . 3.14 1002 839 A 45 ARG HA A 45 ARG HGx 1.0 . 3.14 1003 840 A 45 ARG HA A 45 ARG HDx 1.0 . 4.41 1004 840 A 45 ARG HA A 45 ARG HDy 1.0 . 4.41 1005 841 A 45 ARG HBx A 45 ARG HDx 1.0 . 3.16 1006 841 A 45 ARG HBy A 45 ARG HDx 1.0 . 3.16 1007 841 A 45 ARG HDy A 45 ARG HBx 1.0 . 3.16 1008 841 A 45 ARG HBy A 45 ARG HDy 1.0 . 3.16 1009 842 A 45 ARG HE A 45 ARG HBx 1.0 . 4.45 1010 842 A 45 ARG HBy A 45 ARG HE 1.0 . 4.45 1011 843 A 46 ARG H A 45 ARG HBx 1.0 . 3.11 1012 843 A 46 ARG H A 45 ARG HBy 1.0 . 3.11 1013 844 A 46 ARG H A 45 ARG HDx 1.0 . 5.34 1014 844 A 46 ARG H A 45 ARG HDy 1.0 . 5.34 1015 845 A 46 ARG H A 46 ARG HBy 1.0 . 3.29 1016 845 A 46 ARG H A 46 ARG HBx 1.0 . 3.29 1017 846 A 46 ARG H A 46 ARG HGy 1.0 . 3.43 1018 846 A 46 ARG H A 46 ARG HGx 1.0 . 3.43 1019 847 A 46 ARG H A 46 ARG HDx 1.0 . 4.46 1020 847 A 46 ARG H A 46 ARG HDy 1.0 . 4.46 1021 848 A 46 ARG H A 47 LEU HDy% 1.0 . 5.35 1022 848 A 46 ARG H A 47 LEU HDx% 1.0 . 5.35 1023 849 A 46 ARG H A 49 VAL HGy% 1.0 . 5.44 1024 849 A 46 ARG H A 49 VAL HGx% 1.0 . 5.44 1025 850 A 46 ARG HA A 46 ARG HGy 1.0 . 3.56 1026 850 A 46 ARG HA A 46 ARG HGx 1.0 . 3.56 1027 851 A 46 ARG HA A 49 VAL HGy% 1.0 . 4.00 1028 851 A 46 ARG HA A 49 VAL HGx% 1.0 . 4.00 1029 852 A 46 ARG HBx A 46 ARG HDx 1.0 . 3.23 1030 852 A 46 ARG HBy A 46 ARG HDx 1.0 . 3.23 1031 852 A 46 ARG HDy A 46 ARG HBy 1.0 . 3.23 1032 852 A 46 ARG HDy A 46 ARG HBx 1.0 . 3.23 1033 853 A 47 LEU HA A 46 ARG HBy 1.0 . 4.85 1034 853 A 47 LEU HA A 46 ARG HBx 1.0 . 4.85 1035 854 A 46 ARG HE A 46 ARG HGy 1.0 . 3.47 1036 854 A 46 ARG HE A 46 ARG HGx 1.0 . 3.47 1037 855 A 47 LEU H A 46 ARG HDx 1.0 . 5.34 1038 855 A 47 LEU H A 46 ARG HDy 1.0 . 5.34 1039 856 A 47 LEU H A 47 LEU HDy% 1.0 . 3.65 1040 856 A 47 LEU H A 47 LEU HDx% 1.0 . 3.65 1041 857 A 47 LEU HA A 47 LEU HDy% 1.0 . 2.86 1042 857 A 47 LEU HA A 47 LEU HDx% 1.0 . 2.86 1043 858 A 48 LYS H A 47 LEU HDy% 1.0 . 4.92 1044 858 A 48 LYS H A 47 LEU HDx% 1.0 . 4.92 1045 859 A 48 LYS H A 48 LYS HGy 1.0 . 4.13 1046 859 A 48 LYS H A 48 LYS HGx 1.0 . 4.13 1047 860 A 48 LYS HA A 48 LYS HGy 1.0 . 3.67 1048 860 A 48 LYS HA A 48 LYS HGx 1.0 . 3.67 1049 861 A 49 VAL H A 48 LYS HGy 1.0 . 5.33 1050 861 A 49 VAL H A 48 LYS HGx 1.0 . 5.33 1051 862 A 49 VAL H A 49 VAL HGy% 1.0 . 3.10 1052 862 A 49 VAL H A 49 VAL HGx% 1.0 . 3.10 1053 863 A 49 VAL HA A 49 VAL HGy% 1.0 . 2.86 1054 863 A 49 VAL HA A 49 VAL HGx% 1.0 . 2.86 1055 864 A 50 TYR H A 49 VAL HGy% 1.0 . 3.90 1056 864 A 50 TYR H A 49 VAL HGx% 1.0 . 3.90 1057 865 A 50 TYR HD% A 49 VAL HGy% 1.0 . 4.43 1058 865 A 50 TYR HD% A 49 VAL HGx% 1.0 . 4.43 1059 866 A 51 HIS H A 49 VAL HGy% 1.0 . 4.86 1060 866 A 51 HIS H A 49 VAL HGx% 1.0 . 4.86 1061 867 A 50 TYR H A 50 TYR HBx 1.0 . 3.38 1062 867 A 50 TYR H A 50 TYR HBy 1.0 . 3.38 1063 868 A 51 HIS H A 50 TYR HBx 1.0 . 4.18 1064 868 A 51 HIS H A 50 TYR HBy 1.0 . 4.18 1065 869 A 51 HIS H A 51 HIS HBx 1.0 . 3.32 1066 869 A 51 HIS H A 51 HIS HBy 1.0 . 3.32 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _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 23 LEU H A 19 LYS O 1.0 . 2.0 2 2 A 19 LYS O A 23 LEU N 1.0 . 3.0 3 3 A 24 ARG H A 20 TYR O 1.0 . 2.0 4 4 A 20 TYR O A 24 ARG N 1.0 . 3.0 5 5 A 25 ASP H A 21 ALA O 1.0 . 2.0 6 6 A 21 ALA O A 25 ASP N 1.0 . 3.0 7 7 A 26 THR H A 22 GLU O 1.0 . 2.0 8 8 A 22 GLU O A 26 THR N 1.0 . 3.0 9 9 A 27 ILE H A 23 LEU O 1.0 . 2.0 10 10 A 23 LEU O A 27 ILE N 1.0 . 3.0 11 11 A 28 ASN H A 24 ARG O 1.0 . 2.0 12 12 A 24 ARG O A 28 ASN N 1.0 . 3.0 13 13 A 29 THR H A 25 ASP O 1.0 . 2.0 14 14 A 25 ASP O A 29 THR N 1.0 . 3.0 15 15 A 36 LEU H A 32 ASP O 1.0 . 2.0 16 16 A 32 ASP O A 36 LEU N 1.0 . 3.0 17 17 A 37 ALA H A 33 ILE O 1.0 . 2.0 18 18 A 33 ILE O A 37 ALA N 1.0 . 3.0 19 19 A 38 ALA H A 34 GLU O 1.0 . 2.0 20 20 A 34 GLU O A 38 ALA N 1.0 . 3.0 21 21 A 39 CYS H A 35 LEU O 1.0 . 2.0 22 22 A 35 LEU O A 39 CYS N 1.0 . 3.0 23 23 A 40 ARG H A 36 LEU O 1.0 . 2.0 24 24 A 36 LEU O A 40 ARG N 1.0 . 3.0 25 25 A 41 GLU H A 37 ALA O 1.0 . 2.0 26 26 A 37 ALA O A 41 GLU N 1.0 . 3.0 27 27 A 42 GLU H A 38 ALA O 1.0 . 2.0 28 28 A 38 ALA O A 42 GLU N 1.0 . 3.0 29 29 A 43 PHE H A 39 CYS O 1.0 . 2.0 30 30 A 39 CYS O A 43 PHE N 1.0 . 3.0 31 31 A 44 HIS H A 40 ARG O 1.0 . 2.0 32 32 A 40 ARG O A 44 HIS N 1.0 . 3.0 33 33 A 45 ARG H A 41 GLU O 1.0 . 2.0 34 34 A 41 GLU O A 45 ARG N 1.0 . 3.0 35 35 A 46 ARG H A 42 GLU O 1.0 . 2.0 36 36 A 42 GLU O A 46 ARG N 1.0 . 3.0 37 37 A 48 LYS H A 44 HIS O 1.0 . 2.0 38 38 A 44 HIS O A 48 LYS N 1.0 . 3.0 39 39 A 49 VAL H A 45 ARG O 1.0 . 2.0 40 40 A 45 ARG O A 49 VAL N 1.0 . 3.0 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 12 LYS C A 13 TYR N A 13 TYR CA A 13 TYR C 1.0 -167.6 -123.4 PHI 2 2 A 13 TYR N A 13 TYR CA A 13 TYR C A 14 ASP N 1.0 136.7 172.1 PSI 3 3 A 13 TYR C A 14 ASP N A 14 ASP CA A 14 ASP C 1.0 -163.1 -96.1 PHI 4 4 A 14 ASP N A 14 ASP CA A 14 ASP C A 15 LEU N 1.0 109.8 153.6 PSI 5 5 A 16 SER C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -164.1 -111.3 PHI 6 6 A 17 LYS N A 17 LYS CA A 17 LYS C A 18 TRP N 1.0 130.5 163.8 PSI 7 7 A 17 LYS C A 18 TRP N A 18 TRP CA A 18 TRP C 1.0 -168.2 -79.2 PHI 8 8 A 18 TRP N A 18 TRP CA A 18 TRP C A 19 LYS N 1.0 108.5 168.0 PSI 9 9 A 19 LYS C A 20 TYR N A 20 TYR CA A 20 TYR C 1.0 -72.4 -52.1 PHI 10 10 A 20 TYR N A 20 TYR CA A 20 TYR C A 21 ALA N 1.0 -57.2 -30.0 PSI 11 11 A 20 TYR C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -82.9 -44.8 PHI 12 12 A 21 ALA N A 21 ALA CA A 21 ALA C A 22 GLU N 1.0 -63.0 -9.1 PSI 13 13 A 21 ALA C A 22 GLU N A 22 GLU CA A 22 GLU C 1.0 -75.9 -55.9 PHI 14 14 A 22 GLU N A 22 GLU CA A 22 GLU C A 23 LEU N 1.0 -49.1 -29.1 PSI 15 15 A 22 GLU C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -72.3 -52.4 PHI 16 16 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 ARG N 1.0 -54.6 -27.3 PSI 17 17 A 23 LEU C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -70.0 -50.0 PHI 18 18 A 24 ARG N A 24 ARG CA A 24 ARG C A 25 ASP N 1.0 -51.2 -29.2 PSI 19 19 A 24 ARG C A 25 ASP N A 25 ASP CA A 25 ASP C 1.0 -74.7 -54.7 PHI 20 20 A 25 ASP N A 25 ASP CA A 25 ASP C A 26 THR N 1.0 -53.6 -29.0 PSI 21 21 A 25 ASP C A 26 THR N A 26 THR CA A 26 THR C 1.0 -73.5 -53.5 PHI 22 22 A 26 THR N A 26 THR CA A 26 THR C A 27 ILE N 1.0 -53.8 -33.8 PSI 23 23 A 26 THR C A 27 ILE N A 27 ILE CA A 27 ILE C 1.0 -121.5 -29.1 PHI 24 24 A 27 ILE N A 27 ILE CA A 27 ILE C A 28 ASN N 1.0 -60.9 -18.1 PSI 25 25 A 30 SER C A 31 CYS N A 31 CYS CA A 31 CYS C 1.0 -158.2 -113.2 PHI 26 26 A 31 CYS N A 31 CYS CA A 31 CYS C A 32 ASP N 1.0 124.6 164.5 PSI 27 27 A 31 CYS C A 32 ASP N A 32 ASP CA A 32 ASP C 1.0 -174.2 -65.3 PHI 28 28 A 32 ASP N A 32 ASP CA A 32 ASP C A 33 ILE N 1.0 115.8 161.0 PSI 29 29 A 34 GLU C A 35 LEU N A 35 LEU CA A 35 LEU C 1.0 -74.3 -54.3 PHI 30 30 A 35 LEU N A 35 LEU CA A 35 LEU C A 36 LEU N 1.0 -52.1 -32.1 PSI 31 31 A 35 LEU C A 36 LEU N A 36 LEU CA A 36 LEU C 1.0 -70.4 -50.4 PHI 32 32 A 36 LEU N A 36 LEU CA A 36 LEU C A 37 ALA N 1.0 -54.7 -34.7 PSI 33 33 A 36 LEU C A 37 ALA N A 37 ALA CA A 37 ALA C 1.0 -73.2 -53.2 PHI 34 34 A 37 ALA N A 37 ALA CA A 37 ALA C A 38 ALA N 1.0 -52.5 -31.2 PSI 35 35 A 37 ALA C A 38 ALA N A 38 ALA CA A 38 ALA C 1.0 -74.6 -54.6 PHI 36 36 A 38 ALA N A 38 ALA CA A 38 ALA C A 39 CYS N 1.0 -50.8 -30.8 PSI 37 37 A 38 ALA C A 39 CYS N A 39 CYS CA A 39 CYS C 1.0 -71.7 -50.5 PHI 38 38 A 39 CYS N A 39 CYS CA A 39 CYS C A 40 ARG N 1.0 -52.3 -32.3 PSI 39 39 A 39 CYS C A 40 ARG N A 40 ARG CA A 40 ARG C 1.0 -70.0 -50.0 PHI 40 40 A 40 ARG N A 40 ARG CA A 40 ARG C A 41 GLU N 1.0 -50.9 -30.9 PSI 41 41 A 40 ARG C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -74.8 -54.8 PHI 42 42 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 GLU N 1.0 -52.0 -30.5 PSI 43 43 A 41 GLU C A 42 GLU N A 42 GLU CA A 42 GLU C 1.0 -74.5 -54.5 PHI 44 44 A 42 GLU N A 42 GLU CA A 42 GLU C A 43 PHE N 1.0 -51.2 -30.1 PSI 45 45 A 42 GLU C A 43 PHE N A 43 PHE CA A 43 PHE C 1.0 -69.5 -49.5 PHI 46 46 A 43 PHE N A 43 PHE CA A 43 PHE C A 44 HIS N 1.0 -52.9 -32.9 PSI 47 47 A 43 PHE C A 44 HIS N A 44 HIS CA A 44 HIS C 1.0 -71.8 -51.9 PHI 48 48 A 44 HIS N A 44 HIS CA A 44 HIS C A 45 ARG N 1.0 -50.0 -29.9 PSI 49 49 A 44 HIS C A 45 ARG N A 45 ARG CA A 45 ARG C 1.0 -75.6 -55.6 PHI 50 50 A 45 ARG N A 45 ARG CA A 45 ARG C A 46 ARG N 1.0 -55.0 -20.3 PSI 51 51 A 45 ARG C A 46 ARG N A 46 ARG CA A 46 ARG C 1.0 -69.5 -49.5 PHI 52 52 A 46 ARG N A 46 ARG CA A 46 ARG C A 47 LEU N 1.0 -53.7 -33.7 PSI 53 53 A 46 ARG C A 47 LEU N A 47 LEU CA A 47 LEU C 1.0 -76.4 -51.2 PHI 54 54 A 47 LEU N A 47 LEU CA A 47 LEU C A 48 LYS N 1.0 -56.4 -21.6 PSI stop_ save_