data_nef_c25542_2n10 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 25541 BMRB 25543 BMRB 25544 BMRB 25545 PDB 2N10 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 middle . . 52 A 52 ALA middle . . 53 A 53 TRP middle . . 54 A 54 LYS middle . . 55 A 55 SER middle . . 56 A 56 LYS middle . . 57 A 57 ASN middle . . 58 A 58 LYS middle . . 59 A 59 LYS middle . . 60 A 60 ARG 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 3.927 0.030 A 1 GLY HAy H 1 3.927 0.030 A 1 GLY C C 13 171.455 0.300 A 1 GLY CA C 13 43.396 0.300 A 1 GLY N N 15 110.982 0.300 A 2 PRO HA H 1 4.396 0.030 A 2 PRO HBy H 1 2.243 0.030 A 2 PRO HBx H 1 1.873 0.030 A 2 PRO HDx H 1 3.516 0.030 A 2 PRO HDy H 1 3.516 0.030 A 2 PRO HGx H 1 1.961 0.030 A 2 PRO HGy H 1 1.961 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 49.565 0.300 A 2 PRO CG C 13 27.040 0.300 A 3 LEU H H 1 8.596 0.030 A 3 LEU HA H 1 4.298 0.030 A 3 LEU HBy H 1 1.633 0.030 A 3 LEU HBx H 1 1.550 0.030 A 3 LEU HDx% H 1 0.847 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 55.353 0.300 A 3 LEU CB C 13 42.091 0.300 A 3 LEU CDx C 13 23.408 0.300 A 3 LEU CDy C 13 24.781 0.300 A 3 LEU CG C 13 26.962 0.300 A 3 LEU N N 15 122.703 0.300 A 4 GLY H H 1 8.463 0.030 A 4 GLY HAx H 1 3.918 0.030 A 4 GLY HAy H 1 3.918 0.030 A 4 GLY C C 13 170.952 0.300 A 4 GLY CA C 13 44.955 0.300 A 4 GLY N N 15 109.866 0.300 A 5 SER H H 1 8.256 0.030 A 5 SER HA H 1 4.726 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 56.381 0.300 A 5 SER CB C 13 63.327 0.300 A 5 SER N N 15 116.945 0.300 A 6 PRO HA H 1 4.424 0.030 A 6 PRO HBy H 1 2.260 0.030 A 6 PRO HBx H 1 1.897 0.030 A 6 PRO HDy H 1 3.768 0.030 A 6 PRO HDx H 1 3.671 0.030 A 6 PRO HGx H 1 1.965 0.030 A 6 PRO HGy H 1 1.965 0.030 A 6 PRO C C 13 173.913 0.300 A 6 PRO CA C 13 62.894 0.300 A 6 PRO CB C 13 32.253 0.300 A 6 PRO CD C 13 50.665 0.300 A 6 PRO CG C 13 27.251 0.300 A 7 ASN H H 1 8.584 0.030 A 7 ASN HA H 1 4.679 0.030 A 7 ASN HBy H 1 2.820 0.030 A 7 ASN HBx H 1 2.726 0.030 A 7 ASN HD2y H 1 7.686 0.030 A 7 ASN HD2x H 1 6.981 0.030 A 7 ASN C C 13 172.507 0.300 A 7 ASN CA C 13 53.104 0.300 A 7 ASN CB C 13 38.726 0.300 A 7 ASN N N 15 118.590 0.300 A 7 ASN ND2 N 15 113.620 0.300 A 8 SER H H 1 8.338 0.030 A 8 SER HA H 1 4.387 0.030 A 8 SER HBy H 1 3.895 0.030 A 8 SER HBx H 1 3.825 0.030 A 8 SER C C 13 172.210 0.300 A 8 SER CA C 13 58.532 0.300 A 8 SER CB C 13 63.614 0.300 A 8 SER N N 15 116.534 0.300 A 10 THR H H 1 8.118 0.030 A 10 THR HA H 1 4.249 0.030 A 10 THR HB H 1 4.117 0.030 A 10 THR HG2% H 1 1.142 0.030 A 10 THR C C 13 171.741 0.300 A 10 THR CA C 13 62.036 0.300 A 10 THR CB C 13 69.784 0.300 A 10 THR CG2 C 13 21.572 0.300 A 10 THR N N 15 114.478 0.300 A 11 LYS H H 1 8.442 0.030 A 11 LYS HA H 1 4.171 0.030 A 11 LYS HBx H 1 1.609 0.030 A 11 LYS HBy H 1 1.609 0.030 A 11 LYS HDx H 1 1.570 0.030 A 11 LYS HDy H 1 1.570 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 HGy H 1 1.300 0.030 A 11 LYS HGx H 1 1.188 0.030 A 11 LYS C C 13 172.964 0.300 A 11 LYS CA C 13 56.185 0.300 A 11 LYS CB C 13 32.819 0.300 A 11 LYS CD C 13 29.123 0.300 A 11 LYS CE C 13 41.980 0.300 A 11 LYS CG C 13 24.576 0.300 A 11 LYS N N 15 124.759 0.300 A 12 LYS H H 1 8.239 0.030 A 12 LYS HA H 1 4.116 0.030 A 12 LYS HBx H 1 1.517 0.030 A 12 LYS HBy H 1 1.517 0.030 A 12 LYS HDx H 1 1.504 0.030 A 12 LYS HDy H 1 1.504 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 0.976 0.030 A 12 LYS HGy H 1 1.163 0.030 A 12 LYS C C 13 173.147 0.300 A 12 LYS CA C 13 56.308 0.300 A 12 LYS CB C 13 33.205 0.300 A 12 LYS CD C 13 28.897 0.300 A 12 LYS CE C 13 41.725 0.300 A 12 LYS CG C 13 24.588 0.300 A 12 LYS N N 15 123.320 0.300 A 13 TYR H H 1 8.286 0.030 A 13 TYR HA H 1 4.412 0.030 A 13 TYR HBx H 1 2.535 0.030 A 13 TYR HBy H 1 2.535 0.030 A 13 TYR HDx H 1 6.938 0.030 A 13 TYR HDy H 1 6.938 0.030 A 13 TYR HEx H 1 6.637 0.030 A 13 TYR HEy H 1 6.637 0.030 A 13 TYR C C 13 172.016 0.300 A 13 TYR CA C 13 57.378 0.300 A 13 TYR CB C 13 39.946 0.300 A 13 TYR CDx C 13 133.180 0.300 A 13 TYR CDy C 13 133.180 0.300 A 13 TYR CEx C 13 117.795 0.300 A 13 TYR CEy C 13 117.795 0.300 A 13 TYR N N 15 119.413 0.300 A 14 ASP H H 1 8.611 0.030 A 14 ASP HA H 1 4.687 0.030 A 14 ASP HBx H 1 2.507 0.030 A 14 ASP HBy H 1 2.855 0.030 A 14 ASP C C 13 173.276 0.300 A 14 ASP CA C 13 52.636 0.300 A 14 ASP CB C 13 40.205 0.300 A 14 ASP N N 15 120.647 0.300 A 15 LEU H H 1 8.877 0.030 A 15 LEU HA H 1 3.733 0.030 A 15 LEU HBx H 1 0.780 0.030 A 15 LEU HBy H 1 1.015 0.030 A 15 LEU HDx% H 1 0.164 0.030 A 15 LEU HDy% H 1 -0.650 0.030 A 15 LEU HG H 1 0.863 0.030 A 15 LEU C C 13 175.592 0.300 A 15 LEU CA C 13 53.375 0.300 A 15 LEU CB C 13 39.946 0.300 A 15 LEU CDy C 13 26.818 0.300 A 15 LEU CDx C 13 20.522 0.300 A 15 LEU CG C 13 26.181 0.300 A 15 LEU N N 15 126.198 0.300 A 17 LYS H H 1 8.496 0.030 A 17 LYS HA H 1 4.501 0.030 A 17 LYS HBx H 1 1.749 0.030 A 17 LYS HBy H 1 2.088 0.030 A 17 LYS HDx H 1 1.619 0.030 A 17 LYS HDy H 1 1.619 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 1.367 0.030 A 17 LYS HGy H 1 1.483 0.030 A 17 LYS C C 13 175.079 0.300 A 17 LYS CA C 13 55.194 0.300 A 17 LYS CB C 13 32.053 0.300 A 17 LYS CD C 13 28.582 0.300 A 17 LYS CE C 13 42.185 0.300 A 17 LYS CG C 13 25.146 0.300 A 17 LYS N N 15 118.179 0.300 A 18 TRP H H 1 7.830 0.030 A 18 TRP HA H 1 4.592 0.030 A 18 TRP HBx H 1 3.171 0.030 A 18 TRP HBy H 1 3.197 0.030 A 18 TRP HD1 H 1 7.144 0.030 A 18 TRP HE1 H 1 10.195 0.030 A 18 TRP HE3 H 1 7.056 0.030 A 18 TRP HH2 H 1 7.007 0.030 A 18 TRP HZ2 H 1 7.301 0.030 A 18 TRP HZ3 H 1 7.066 0.030 A 18 TRP C C 13 174.862 0.300 A 18 TRP CA C 13 58.185 0.300 A 18 TRP CB C 13 28.632 0.300 A 18 TRP CD1 C 13 123.675 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 15 121.857 0.300 A 18 TRP NE1 N 15 129.077 0.300 A 20 TYR H H 1 9.400 0.030 A 20 TYR HA H 1 4.015 0.030 A 20 TYR HBx H 1 2.972 0.030 A 20 TYR HBy H 1 3.238 0.030 A 20 TYR HDx H 1 7.054 0.030 A 20 TYR HDy H 1 7.054 0.030 A 20 TYR HEx H 1 6.706 0.030 A 20 TYR HEy H 1 6.706 0.030 A 20 TYR C C 13 174.531 0.300 A 20 TYR CA C 13 63.137 0.300 A 20 TYR CB C 13 38.114 0.300 A 20 TYR CDx C 13 132.963 0.300 A 20 TYR CDy C 13 132.963 0.300 A 20 TYR CEx C 13 118.032 0.300 A 20 TYR CEy C 13 118.032 0.300 A 20 TYR N N 15 124.553 0.300 A 21 ALA H H 1 8.991 0.030 A 21 ALA HA H 1 3.817 0.030 A 21 ALA HB% H 1 1.411 0.030 A 21 ALA C C 13 176.314 0.300 A 21 ALA CA C 13 55.352 0.300 A 21 ALA CB C 13 18.607 0.300 A 21 ALA N N 15 117.974 0.300 A 22 GLU H H 1 6.842 0.030 A 22 GLU HA H 1 4.107 0.030 A 22 GLU HBy H 1 2.233 0.030 A 22 GLU HBx H 1 1.686 0.030 A 22 GLU HGx H 1 1.973 0.030 A 22 GLU HGy H 1 2.063 0.030 A 22 GLU C C 13 177.380 0.300 A 22 GLU CA C 13 58.430 0.300 A 22 GLU CB C 13 29.870 0.300 A 22 GLU CG C 13 36.824 0.300 A 22 GLU N N 15 115.300 0.300 A 24 ARG H H 1 8.220 0.030 A 24 ARG HA H 1 3.659 0.030 A 24 ARG HBx H 1 1.500 0.030 A 24 ARG HBy H 1 1.742 0.030 A 24 ARG HDx H 1 3.038 0.030 A 24 ARG HDy H 1 3.038 0.030 A 24 ARG HGx H 1 1.324 0.030 A 24 ARG HGy H 1 1.644 0.030 A 24 ARG C C 13 175.240 0.300 A 24 ARG CA C 13 59.031 0.300 A 24 ARG CB C 13 29.834 0.300 A 24 ARG CD C 13 43.248 0.300 A 24 ARG CG C 13 26.256 0.300 A 24 ARG N N 15 117.974 0.300 A 25 ASP H H 1 8.482 0.030 A 25 ASP HA H 1 4.386 0.030 A 25 ASP HBx H 1 2.662 0.030 A 25 ASP HBy H 1 2.695 0.030 A 25 ASP C C 13 176.554 0.300 A 25 ASP CA C 13 57.287 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 7.930 0.030 A 26 THR HA H 1 3.900 0.030 A 26 THR HB H 1 4.570 0.030 A 26 THR HG2% H 1 1.271 0.030 A 26 THR C C 13 173.365 0.300 A 26 THR CA C 13 67.774 0.300 A 26 THR CB C 13 67.779 0.300 A 26 THR CG2 C 13 22.805 0.300 A 26 THR N N 15 118.385 0.300 A 27 ILE H H 1 8.145 0.030 A 27 ILE HA H 1 3.645 0.030 A 27 ILE HB H 1 1.826 0.030 A 27 ILE HD1% H 1 0.564 0.030 A 27 ILE HG1y H 1 1.692 0.030 A 27 ILE HG1x H 1 0.915 0.030 A 27 ILE HG2% H 1 0.816 0.030 A 27 ILE C C 13 174.485 0.300 A 27 ILE CA C 13 64.618 0.300 A 27 ILE CB C 13 37.652 0.300 A 27 ILE CD1 C 13 13.514 0.300 A 27 ILE CG1 C 13 30.593 0.300 A 27 ILE CG2 C 13 17.240 0.300 A 27 ILE N N 15 122.497 0.300 A 28 ASN H H 1 7.700 0.030 A 28 ASN HA H 1 4.622 0.030 A 28 ASN HBx H 1 2.871 0.030 A 28 ASN HBy H 1 2.900 0.030 A 28 ASN HD2y H 1 7.750 0.030 A 28 ASN HD2x H 1 6.831 0.030 A 28 ASN C C 13 173.902 0.300 A 28 ASN CA C 13 54.429 0.300 A 28 ASN CB C 13 39.169 0.300 A 28 ASN N N 15 115.095 0.300 A 28 ASN ND2 N 15 111.926 0.300 A 29 THR H H 1 7.592 0.030 A 29 THR HA H 1 4.606 0.030 A 29 THR HB H 1 4.150 0.030 A 29 THR HG2% H 1 1.189 0.030 A 29 THR C C 13 172.290 0.300 A 29 THR CA C 13 62.629 0.300 A 29 THR CB C 13 72.232 0.300 A 29 THR CG2 C 13 21.336 0.300 A 29 THR N N 15 107.692 0.300 A 30 SER H H 1 8.701 0.030 A 30 SER HA H 1 4.298 0.030 A 30 SER HBx H 1 3.624 0.030 A 30 SER HBy H 1 4.147 0.030 A 30 SER C C 13 172.473 0.300 A 30 SER CA C 13 59.633 0.300 A 30 SER CB C 13 64.278 0.300 A 30 SER N N 15 117.670 0.300 A 31 CYS H H 1 8.719 0.030 A 31 CYS HA H 1 4.781 0.030 A 31 CYS HBx H 1 2.934 0.030 A 31 CYS HBy H 1 3.017 0.030 A 31 CYS C C 13 170.861 0.300 A 31 CYS CA C 13 57.405 0.300 A 31 CYS CB C 13 28.303 0.300 A 31 CYS N N 15 121.263 0.300 A 32 ASP H H 1 8.551 0.030 A 32 ASP HA H 1 4.622 0.030 A 32 ASP HBx H 1 2.462 0.030 A 32 ASP HBy H 1 2.999 0.030 A 32 ASP C C 13 172.541 0.300 A 32 ASP CA C 13 53.154 0.300 A 32 ASP CB C 13 41.241 0.300 A 32 ASP N N 15 124.542 0.300 A 33 ILE H H 1 8.464 0.030 A 33 ILE HA H 1 3.694 0.030 A 33 ILE HB H 1 1.922 0.030 A 33 ILE HD1% H 1 0.873 0.030 A 33 ILE HG1y H 1 1.577 0.030 A 33 ILE HG1x H 1 1.349 0.030 A 33 ILE HG2% H 1 0.956 0.030 A 33 ILE C C 13 175.743 0.300 A 33 ILE CA C 13 64.736 0.300 A 33 ILE CB C 13 37.815 0.300 A 33 ILE CD1 C 13 12.796 0.300 A 33 ILE CG1 C 13 27.759 0.300 A 33 ILE CG2 C 13 17.579 0.300 A 33 ILE N N 15 125.170 0.300 A 34 GLU H H 1 8.186 0.030 A 34 GLU HA H 1 4.142 0.030 A 34 GLU HBx H 1 2.156 0.030 A 34 GLU HBy H 1 2.232 0.030 A 34 GLU HGx H 1 2.293 0.030 A 34 GLU HGy H 1 2.402 0.030 A 34 GLU C C 13 176.406 0.300 A 34 GLU CA C 13 59.111 0.300 A 34 GLU CB C 13 29.722 0.300 A 34 GLU CG C 13 37.298 0.300 A 34 GLU N N 15 121.058 0.300 A 35 LEU H H 1 7.849 0.030 A 35 LEU HA H 1 3.635 0.030 A 35 LEU HBx H 1 1.208 0.030 A 35 LEU HBy H 1 1.759 0.030 A 35 LEU HDx% H 1 0.941 0.030 A 35 LEU HDy% H 1 0.385 0.030 A 35 LEU HG H 1 1.201 0.030 A 35 LEU C C 13 176.399 0.300 A 35 LEU CA C 13 57.029 0.300 A 35 LEU CB C 13 40.982 0.300 A 35 LEU CDy C 13 26.150 0.300 A 35 LEU CDx C 13 21.861 0.300 A 35 LEU CG C 13 27.256 0.300 A 35 LEU N N 15 124.965 0.300 A 36 LEU H H 1 8.867 0.030 A 36 LEU HA H 1 3.679 0.030 A 36 LEU HBx H 1 1.312 0.030 A 36 LEU HBy H 1 1.803 0.030 A 36 LEU HDx% H 1 0.783 0.030 A 36 LEU HDy% H 1 0.914 0.030 A 36 LEU HG H 1 1.584 0.030 A 36 LEU C C 13 176.280 0.300 A 36 LEU CA C 13 58.735 0.300 A 36 LEU CB C 13 42.469 0.300 A 36 LEU CDx C 13 24.964 0.300 A 36 LEU CDy C 13 25.063 0.300 A 36 LEU CG C 13 27.161 0.300 A 36 LEU N N 15 120.453 0.300 A 37 ALA H H 1 7.624 0.030 A 37 ALA HA H 1 4.008 0.030 A 37 ALA HB% H 1 1.476 0.030 A 37 ALA C C 13 177.606 0.300 A 37 ALA CA C 13 55.101 0.300 A 37 ALA CB C 13 17.641 0.300 A 37 ALA N N 15 120.030 0.300 A 38 ALA H H 1 7.681 0.030 A 38 ALA HA H 1 4.110 0.030 A 38 ALA HB% H 1 1.310 0.030 A 38 ALA C C 13 178.452 0.300 A 38 ALA CA C 13 54.829 0.300 A 38 ALA CB C 13 18.008 0.300 A 38 ALA N N 15 121.675 0.300 A 40 ARG H H 1 8.382 0.030 A 40 ARG HA H 1 3.919 0.030 A 40 ARG HBy H 1 1.882 0.030 A 40 ARG HBx H 1 1.818 0.030 A 40 ARG HDx H 1 3.108 0.030 A 40 ARG HDy H 1 3.108 0.030 A 40 ARG HGx H 1 1.426 0.030 A 40 ARG HGy H 1 1.794 0.030 A 40 ARG C C 13 176.108 0.300 A 40 ARG CA C 13 60.532 0.300 A 40 ARG CB C 13 29.846 0.300 A 40 ARG CD C 13 43.200 0.300 A 40 ARG CG C 13 28.800 0.300 A 40 ARG N N 15 119.824 0.300 A 41 GLU H H 1 7.949 0.030 A 41 GLU HA H 1 4.087 0.030 A 41 GLU HBx H 1 2.105 0.030 A 41 GLU HBy H 1 2.105 0.030 A 41 GLU HGx H 1 2.309 0.030 A 41 GLU HGy H 1 2.382 0.030 A 41 GLU C C 13 171.786 0.300 A 41 GLU CA C 13 59.200 0.300 A 41 GLU CB C 13 29.277 0.300 A 41 GLU CG C 13 36.101 0.300 A 41 GLU N N 15 119.618 0.300 A 43 PHE H H 1 8.717 0.030 A 43 PHE HA H 1 4.114 0.030 A 43 PHE HBx H 1 3.092 0.030 A 43 PHE HBy H 1 3.143 0.030 A 43 PHE HDx H 1 7.024 0.030 A 43 PHE HDy H 1 7.024 0.030 A 43 PHE HEx H 1 7.052 0.030 A 43 PHE HEy H 1 7.052 0.030 A 43 PHE HZ H 1 7.016 0.030 A 43 PHE C C 13 175.299 0.300 A 43 PHE CA C 13 61.663 0.300 A 43 PHE CB C 13 39.207 0.300 A 43 PHE CDx C 13 130.829 0.300 A 43 PHE CDy C 13 130.829 0.300 A 43 PHE CEx C 13 131.484 0.300 A 43 PHE CEy C 13 131.484 0.300 A 43 PHE CZ C 13 129.751 0.300 A 43 PHE N N 15 119.824 0.300 A 44 HIS H H 1 8.105 0.030 A 44 HIS HA H 1 4.281 0.030 A 44 HIS HBy H 1 3.308 0.030 A 44 HIS HBx H 1 3.263 0.030 A 44 HIS HD2 H 1 7.071 0.030 A 44 HIS HE1 H 1 7.923 0.030 A 44 HIS C C 13 174.771 0.300 A 44 HIS CA C 13 59.537 0.300 A 44 HIS CB C 13 29.502 0.300 A 44 HIS CD2 C 13 120.404 0.300 A 44 HIS CE1 C 13 137.794 0.300 A 44 HIS N N 15 116.534 0.300 A 45 ARG H H 1 8.278 0.030 A 45 ARG HA H 1 3.923 0.030 A 45 ARG HBx H 1 1.996 0.030 A 45 ARG HBy H 1 1.996 0.030 A 45 ARG HDy H 1 3.290 0.030 A 45 ARG HDx H 1 3.082 0.030 A 45 ARG HE H 1 7.850 0.030 A 45 ARG HGx H 1 1.495 0.030 A 45 ARG HGy H 1 1.699 0.030 A 45 ARG C C 13 176.310 0.300 A 45 ARG CA C 13 59.766 0.300 A 45 ARG CB C 13 30.279 0.300 A 45 ARG CD C 13 42.897 0.300 A 45 ARG CG C 13 27.580 0.300 A 45 ARG N N 15 120.875 0.300 A 45 ARG NE N 15 82.512 0.300 A 46 ARG H H 1 8.068 0.030 A 46 ARG HA H 1 3.959 0.030 A 46 ARG HBx H 1 1.835 0.030 A 46 ARG HBy H 1 1.900 0.030 A 46 ARG HDx H 1 3.119 0.030 A 46 ARG HDy H 1 3.119 0.030 A 46 ARG HE H 1 8.823 0.030 A 46 ARG HGx H 1 1.900 0.030 A 46 ARG HGy H 1 1.900 0.030 A 46 ARG C C 13 176.046 0.300 A 46 ARG CA C 13 58.834 0.300 A 46 ARG CB C 13 29.858 0.300 A 46 ARG CD C 13 43.341 0.300 A 46 ARG CG C 13 27.303 0.300 A 46 ARG N N 15 116.740 0.300 A 46 ARG NE N 15 86.102 0.300 A 47 LEU H H 1 7.868 0.030 A 47 LEU HA H 1 3.931 0.030 A 47 LEU HBx H 1 1.565 0.030 A 47 LEU HBy H 1 1.705 0.030 A 47 LEU HDx% H 1 0.690 0.030 A 47 LEU HDy% H 1 0.755 0.030 A 47 LEU HG H 1 1.539 0.030 A 47 LEU CA C 13 59.766 0.300 A 47 LEU CB C 13 41.625 0.300 A 47 LEU CDy C 13 25.000 0.300 A 47 LEU CDx C 13 23.693 0.300 A 47 LEU CG C 13 27.211 0.300 A 47 LEU N N 15 120.441 0.300 A 48 LYS H H 1 7.784 0.030 A 48 LYS HA H 1 4.079 0.030 A 48 LYS HBx H 1 1.862 0.030 A 48 LYS HBy H 1 2.048 0.030 A 48 LYS HDx H 1 1.602 0.030 A 48 LYS HDy H 1 1.656 0.030 A 48 LYS HEy H 1 2.918 0.030 A 48 LYS HEx H 1 2.882 0.030 A 48 LYS HGx H 1 1.349 0.030 A 48 LYS HGy H 1 1.456 0.030 A 48 LYS C C 13 176.354 0.300 A 48 LYS CA C 13 58.157 0.300 A 48 LYS CB C 13 32.064 0.300 A 48 LYS CD C 13 29.116 0.300 A 48 LYS CE C 13 42.058 0.300 A 48 LYS CG C 13 24.710 0.300 A 48 LYS N N 15 119.413 0.300 A 49 VAL H H 1 7.767 0.030 A 49 VAL HA H 1 3.828 0.030 A 49 VAL HB H 1 2.078 0.030 A 49 VAL HGx% H 1 0.992 0.030 A 49 VAL HGy% H 1 0.868 0.030 A 49 VAL C C 13 174.195 0.300 A 49 VAL CA C 13 64.919 0.300 A 49 VAL CB C 13 32.309 0.300 A 49 VAL CGy C 13 21.900 0.300 A 49 VAL CGx C 13 21.121 0.300 A 49 VAL N N 15 119.618 0.300 A 50 TYR H H 1 8.142 0.030 A 50 TYR HA H 1 4.164 0.030 A 50 TYR HBx H 1 2.993 0.030 A 50 TYR HBy H 1 2.993 0.030 A 50 TYR CA C 13 59.302 0.300 A 50 TYR CB C 13 38.286 0.300 A 50 TYR N N 15 122.497 0.300 A 51 HIS H H 1 8.427 0.030 A 51 HIS HA H 1 4.220 0.030 A 51 HIS HBx H 1 3.040 0.030 A 51 HIS HBy H 1 3.040 0.030 A 51 HIS HD2 H 1 6.967 0.030 A 51 HIS HE1 H 1 7.949 0.030 A 51 HIS C C 13 174.214 0.300 A 51 HIS CA C 13 57.428 0.300 A 51 HIS CB C 13 30.099 0.300 A 51 HIS CD2 C 13 119.444 0.300 A 51 HIS CE1 C 13 137.736 0.300 A 51 HIS N N 15 119.002 0.300 A 52 ALA H H 1 8.072 0.030 A 52 ALA HA H 1 4.141 0.030 A 52 ALA HB% H 1 1.445 0.030 A 52 ALA C C 13 176.134 0.300 A 52 ALA CA C 13 54.098 0.300 A 52 ALA CB C 13 18.195 0.300 A 52 ALA N N 15 123.731 0.300 A 53 TRP H H 1 8.045 0.030 A 53 TRP HA H 1 4.349 0.030 A 53 TRP HBx H 1 3.270 0.030 A 53 TRP HBy H 1 3.374 0.030 A 53 TRP HD1 H 1 7.223 0.030 A 53 TRP HE1 H 1 10.181 0.030 A 53 TRP HH2 H 1 7.154 0.030 A 53 TRP HZ2 H 1 7.380 0.030 A 53 TRP HZ3 H 1 7.386 0.030 A 53 TRP C C 13 173.394 0.300 A 53 TRP CA C 13 58.776 0.300 A 53 TRP CB C 13 28.661 0.300 A 53 TRP CD1 C 13 127.176 0.300 A 53 TRP CH2 C 13 124.479 0.300 A 53 TRP CZ2 C 13 114.550 0.300 A 53 TRP CZ3 C 13 120.634 0.300 A 53 TRP N N 15 120.614 0.300 A 53 TRP NE1 N 15 130.011 0.300 A 54 LYS H H 1 8.230 0.030 A 54 LYS HA H 1 4.179 0.030 A 54 LYS HBx H 1 1.520 0.030 A 54 LYS HBy H 1 1.603 0.030 A 54 LYS HDx H 1 1.482 0.030 A 54 LYS HDy H 1 1.602 0.030 A 54 LYS HEx H 1 2.850 0.030 A 54 LYS HEy H 1 2.850 0.030 A 54 LYS HGx H 1 1.151 0.030 A 54 LYS HGy H 1 1.151 0.030 A 54 LYS CA C 13 56.089 0.300 A 54 LYS CB C 13 32.064 0.300 A 54 LYS CD C 13 28.877 0.300 A 54 LYS CE C 13 42.000 0.300 A 54 LYS CG C 13 23.729 0.300 A 54 LYS N N 15 121.675 0.300 A 55 SER H H 1 7.920 0.030 A 55 SER HA H 1 4.163 0.030 A 55 SER HBx H 1 3.812 0.030 A 55 SER HBy H 1 3.812 0.030 A 55 SER C C 13 177.387 0.300 A 55 SER CA C 13 59.440 0.300 A 55 SER CB C 13 63.319 0.300 A 55 SER N N 15 114.683 0.300 A 57 ASN H H 1 8.019 0.030 A 57 ASN HA H 1 4.527 0.030 A 57 ASN HBx H 1 2.289 0.030 A 57 ASN HBy H 1 2.561 0.030 A 57 ASN HD2y H 1 7.306 0.030 A 57 ASN HD2x H 1 6.745 0.030 A 57 ASN C C 13 175.845 0.300 A 57 ASN CA C 13 53.348 0.300 A 57 ASN CB C 13 38.842 0.300 A 57 ASN N N 15 118.385 0.300 A 57 ASN ND2 N 15 113.655 0.300 A 58 LYS H H 1 8.039 0.030 A 58 LYS HA H 1 4.195 0.030 A 58 LYS HBx H 1 1.698 0.030 A 58 LYS HBy H 1 1.776 0.030 A 58 LYS HDx H 1 1.623 0.030 A 58 LYS HDy H 1 1.623 0.030 A 58 LYS HEx H 1 2.887 0.030 A 58 LYS HEy H 1 2.887 0.030 A 58 LYS HGx H 1 1.336 0.030 A 58 LYS HGy H 1 1.336 0.030 A 58 LYS C C 13 175.343 0.300 A 58 LYS CA C 13 56.489 0.300 A 58 LYS CB C 13 32.711 0.300 A 58 LYS CD C 13 28.878 0.300 A 58 LYS CE C 13 41.851 0.300 A 58 LYS CG C 13 24.668 0.300 A 58 LYS N N 15 121.675 0.300 A 59 LYS H H 1 8.348 0.030 A 59 LYS HA H 1 4.225 0.030 A 59 LYS HBx H 1 1.701 0.030 A 59 LYS HBy H 1 1.788 0.030 A 59 LYS HDx H 1 1.576 0.030 A 59 LYS HDy H 1 1.576 0.030 A 59 LYS HEx H 1 2.988 0.030 A 59 LYS HEy H 1 2.988 0.030 A 59 LYS HGx H 1 1.379 0.030 A 59 LYS HGy H 1 1.379 0.030 A 59 LYS C C 13 172.827 0.300 A 59 LYS CA C 13 56.213 0.300 A 59 LYS CB C 13 32.913 0.300 A 59 LYS CD C 13 28.934 0.300 A 59 LYS CE C 13 42.103 0.300 A 59 LYS CG C 13 24.678 0.300 A 59 LYS N N 15 123.434 0.300 A 60 ARG H H 1 8.060 0.030 A 60 ARG HA H 1 4.099 0.030 A 60 ARG HBx H 1 1.663 0.030 A 60 ARG HBy H 1 1.786 0.030 A 60 ARG HDx H 1 3.117 0.030 A 60 ARG HDy H 1 3.117 0.030 A 60 ARG HGx H 1 1.541 0.030 A 60 ARG HGy H 1 1.541 0.030 A 60 ARG C C 13 178.201 0.300 A 60 ARG CA C 13 57.364 0.300 A 60 ARG CB C 13 31.353 0.300 A 60 ARG CD C 13 43.316 0.300 A 60 ARG CG C 13 27.234 0.300 A 60 ARG N N 15 128.201 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 H A 15 LEU HG 1.0 . 3.60 2 2 A 33 ILE H A 33 ILE HB 1.0 . 3.68 3 3 A 33 ILE H A 32 ASP HA 1.0 . 3.13 4 4 A 33 ILE H A 33 ILE HG1x 1.0 . 3.30 5 5 A 35 LEU H A 36 LEU H 1.0 . 3.40 6 6 A 35 LEU H A 35 LEU HBx 1.0 . 3.52 7 7 A 10 THR HA A 11 LYS H 1.0 . 2.55 8 8 A 11 LYS H A 11 LYS HBx 1.0 . 2.75 9 8 A 11 LYS H A 11 LYS HBy 1.0 . 2.75 10 9 A 11 LYS H A 10 THR HG2% 1.0 . 3.37 11 10 A 32 ASP H A 32 ASP HBy 1.0 . 3.61 12 11 A 32 ASP H A 32 ASP HBx 1.0 . 3.48 13 12 A 59 LYS H A 60 ARG H 1.0 . 4.86 14 13 A 59 LYS H A 58 LYS HA 1.0 . 3.26 15 14 A 11 LYS H A 12 LYS H 1.0 . 4.39 16 15 A 12 LYS H A 11 LYS HBx 1.0 . 3.81 17 15 A 11 LYS HBy A 12 LYS H 1.0 . 3.81 18 16 A 19 LYS H A 19 LYS HGx 1.0 . 3.99 19 17 A 27 ILE H A 27 ILE HB 1.0 . 3.75 20 18 A 27 ILE H A 28 ASN H 1.0 . 3.48 21 19 A 22 GLU H A 23 LEU H 1.0 . 3.46 22 20 A 18 TRP H A 18 TRP HD1 1.0 . 3.81 23 21 A 18 TRP H A 18 TRP HBx 1.0 . 3.28 24 22 A 53 TRP H A 54 LYS H 1.0 . 3.49 25 23 A 38 ALA H A 39 CYS H 1.0 . 3.38 26 24 A 30 SER HA A 31 CYS H 1.0 . 3.09 27 25 A 31 CYS H A 31 CYS HBx 1.0 . 3.39 28 26 A 31 CYS H A 31 CYS HBy 1.0 . 3.33 29 27 A 33 ILE H A 34 GLU H 1.0 . 3.31 30 28 A 35 LEU H A 34 GLU H 1.0 . 3.05 31 29 A 14 ASP H A 14 ASP HBx 1.0 . 3.71 32 30 A 14 ASP H A 13 TYR HBx 1.0 . 3.35 33 30 A 14 ASP H A 13 TYR HBy 1.0 . 3.35 34 31 A 14 ASP H A 14 ASP HBy 1.0 . 3.71 35 32 A 37 ALA H A 37 ALA HB% 1.0 . 2.96 36 33 A 13 TYR H A 13 TYR HD% 1.0 . 3.50 37 34 A 13 TYR H A 13 TYR HBx 1.0 . 3.12 38 34 A 13 TYR HBy A 13 TYR H 1.0 . 3.12 39 35 A 13 TYR H A 12 LYS HBx 1.0 . 3.30 40 35 A 13 TYR H A 12 LYS HBy 1.0 . 3.30 41 36 A 27 ILE H A 26 THR H 1.0 . 3.50 42 37 A 26 THR H A 26 THR HB 1.0 . 3.48 43 38 A 16 SER H A 17 LYS H 1.0 . 3.48 44 39 A 18 TRP H A 17 LYS H 1.0 . 4.19 45 40 A 25 ASP H A 24 ARG HBy 1.0 . 3.93 46 41 A 26 THR H A 25 ASP H 1.0 . 3.27 47 42 A 25 ASP H A 24 ARG HBx 1.0 . 3.93 48 43 A 25 ASP H A 25 ASP HBx 1.0 . 3.84 49 44 A 25 ASP H A 25 ASP HBy 1.0 . 3.84 50 45 A 30 SER H A 30 SER HBx 1.0 . 3.41 51 46 A 30 SER H A 30 SER HBy 1.0 . 3.41 52 47 A 15 LEU H A 16 SER H 1.0 . 3.26 53 48 A 44 HIS H A 45 ARG H 1.0 . 3.91 54 49 A 45 ARG H A 46 ARG H 1.0 . 4.23 55 50 A 28 ASN H A 29 THR H 1.0 . 3.19 56 51 A 28 ASN H A 28 ASN HBy 1.0 . 3.23 57 52 A 10 THR H A 10 THR HB 1.0 . 3.44 58 53 A 10 THR H A 9 GLY HAx 1.0 . 2.78 59 53 A 10 THR H A 9 GLY HAy 1.0 . 2.78 60 54 A 10 THR HG2% A 10 THR H 1.0 . 3.24 61 55 A 28 ASN HBy A 28 ASN HD2y 1.0 . 3.20 62 56 A 30 SER H A 29 THR H 1.0 . 2.98 63 57 A 15 LEU H A 15 LEU HDx% 1.0 . 4.01 64 58 A 15 LEU H A 15 LEU HBx 1.0 . 3.84 65 59 A 15 LEU H A 13 TYR HBx 1.0 . 4.94 66 59 A 15 LEU H A 13 TYR HBy 1.0 . 4.94 67 60 A 15 LEU H A 16 SER HA 1.0 . 4.41 68 61 A 15 LEU H A 16 SER HBy 1.0 . 5.50 69 62 A 14 ASP H A 15 LEU HDy% 1.0 . 4.14 70 63 A 14 ASP H A 13 TYR H 1.0 . 4.44 71 64 A 15 LEU H A 14 ASP H 1.0 . 4.12 72 65 A 13 TYR H A 12 LYS HGy 1.0 . 4.75 73 66 A 13 TYR H A 12 LYS HGx 1.0 . 4.75 74 67 A 12 LYS H A 13 TYR HBx 1.0 . 5.35 75 67 A 12 LYS H A 13 TYR HBy 1.0 . 5.35 76 68 A 33 ILE H A 32 ASP HBx 1.0 . 4.44 77 69 A 33 ILE H A 35 LEU H 1.0 . 4.61 78 70 A 15 LEU HG A 16 SER H 1.0 . 5.22 79 71 A 16 SER H A 16 SER HBx 1.0 . 3.47 80 72 A 16 SER H A 16 SER HBy 1.0 . 3.47 81 73 A 16 SER H A 14 ASP HA 1.0 . 4.34 82 74 A 44 HIS H A 43 PHE HBx 1.0 . 3.94 83 75 A 44 HIS H A 43 PHE HD% 1.0 . 4.64 84 76 A 44 HIS H A 43 PHE H 1.0 . 4.01 85 77 A 17 LYS H A 15 LEU HBy 1.0 . 5.13 86 78 A 25 ASP H A 27 ILE HG2% 1.0 . 5.50 87 79 A 17 LYS H A 17 LYS HDx 1.0 . 5.17 88 79 A 17 LYS H A 17 LYS HDy 1.0 . 5.17 89 80 A 18 TRP HBx A 17 LYS H 1.0 . 5.15 90 81 A 17 LYS H A 16 SER HBx 1.0 . 4.53 91 82 A 25 ASP H A 21 ALA HA 1.0 . 4.81 92 83 A 17 LYS H A 16 SER HBy 1.0 . 4.53 93 84 A 25 ASP H A 22 GLU HA 1.0 . 4.00 94 85 A 18 TRP HD1 A 17 LYS H 1.0 . 3.85 95 86 A 15 LEU H A 17 LYS H 1.0 . 5.50 96 87 A 18 TRP H A 15 LEU HBy 1.0 . 5.28 97 88 A 18 TRP H A 23 LEU HD11 1.0 . 5.50 98 89 A 18 TRP H A 23 LEU HD21 1.0 . 5.50 99 90 A 18 TRP H A 17 LYS HBy 1.0 . 4.57 100 91 A 18 TRP H A 17 LYS HBx 1.0 . 4.57 101 92 A 19 LYS H A 19 LYS HBy 1.0 . 4.01 102 93 A 19 LYS H A 22 GLU HBx 1.0 . 4.42 103 94 A 19 LYS H A 18 TRP HBy 1.0 . 3.91 104 95 A 19 LYS H A 22 GLU H 1.0 . 4.40 105 96 A 19 LYS H A 18 TRP HE3 1.0 . 5.08 106 97 A 19 LYS H A 18 TRP HD1 1.0 . 5.13 107 98 A 19 LYS H A 18 TRP H 1.0 . 4.50 108 99 A 19 LYS HBx A 21 ALA H 1.0 . 4.52 109 100 A 19 LYS HBy A 21 ALA H 1.0 . 4.26 110 101 A 21 ALA H A 20 TYR HBy 1.0 . 4.31 111 102 A 21 ALA H A 20 TYR HBx 1.0 . 4.31 112 103 A 21 ALA H A 19 LYS HA 1.0 . 4.79 113 104 A 21 ALA H A 20 TYR H 1.0 . 4.30 114 105 A 22 GLU H A 24 ARG H 1.0 . 4.77 115 106 A 22 GLU H A 21 ALA H 1.0 . 3.76 116 107 A 24 ARG H A 23 LEU HBx 1.0 . 4.53 117 108 A 24 ARG H A 24 ARG HBy 1.0 . 3.93 118 109 A 24 ARG H A 24 ARG HBx 1.0 . 3.93 119 110 A 24 ARG H A 23 LEU HBy 1.0 . 4.37 120 111 A 21 ALA HA A 24 ARG H 1.0 . 4.55 121 112 A 24 ARG H A 43 PHE HE% 1.0 . 5.00 122 113 A 24 ARG H A 43 PHE HZ 1.0 . 5.38 123 114 A 23 LEU H A 24 ARG H 1.0 . 3.67 124 115 A 26 THR H A 26 THR HG2% 1.0 . 3.81 125 116 A 26 THR H A 25 ASP HBx 1.0 . 4.23 126 117 A 26 THR H A 25 ASP HBy 1.0 . 4.23 127 118 A 26 THR H A 23 LEU HA 1.0 . 4.45 128 119 A 26 THR H A 26 THR HG1 1.0 . 3.91 129 120 A 50 TYR H A 49 VAL HGx% 1.0 . 4.32 130 121 A 50 TYR H A 49 VAL HB 1.0 . 4.20 131 122 A 27 ILE H A 28 ASN HBy 1.0 . 4.39 132 123 A 50 TYR H A 50 TYR HBx 1.0 . 3.69 133 123 A 50 TYR H A 50 TYR HBy 1.0 . 3.69 134 124 A 50 TYR H A 48 LYS HA 1.0 . 4.57 135 125 A 27 ILE H A 25 ASP HA 1.0 . 4.29 136 126 A 27 ILE H A 26 THR HB 1.0 . 4.00 137 127 A 50 TYR H A 51 HIS H 1.0 . 3.96 138 128 A 28 ASN H A 27 ILE HG1x 1.0 . 5.35 139 129 A 28 ASN H A 29 THR HG2% 1.0 . 4.08 140 130 A 27 ILE HB A 28 ASN H 1.0 . 4.21 141 131 A 28 ASN H A 26 THR HA 1.0 . 4.52 142 132 A 28 ASN H A 25 ASP HA 1.0 . 4.23 143 133 A 28 ASN H A 30 SER H 1.0 . 3.94 144 134 A 28 ASN H A 26 THR H 1.0 . 4.13 145 135 A 29 THR H A 36 LEU HDy% 1.0 . 5.50 146 136 A 29 THR H A 26 THR HG2% 1.0 . 4.51 147 137 A 29 THR H A 28 ASN HBy 1.0 . 4.01 148 138 A 29 THR H A 26 THR HA 1.0 . 4.02 149 139 A 30 SER HA A 29 THR H 1.0 . 4.91 150 140 A 30 SER H A 36 LEU HDy% 1.0 . 5.44 151 141 A 30 SER H A 26 THR HA 1.0 . 3.93 152 142 A 30 SER H A 30 SER HG 1.0 . 4.50 153 143 A 31 CYS H A 36 LEU HDy% 1.0 . 5.00 154 144 A 31 CYS H A 35 LEU HDy% 1.0 . 5.04 155 145 A 32 ASP HBx A 31 CYS H 1.0 . 4.09 156 146 A 31 CYS H A 30 SER HBy 1.0 . 4.40 157 147 A 31 CYS H A 30 SER HBx 1.0 . 4.40 158 148 A 32 ASP HA A 31 CYS H 1.0 . 5.34 159 149 A 31 CYS H A 30 SER HG 1.0 . 4.14 160 150 A 32 ASP H A 36 LEU HDx% 1.0 . 4.10 161 151 A 35 LEU HBx A 32 ASP H 1.0 . 4.43 162 152 A 32 ASP H A 36 LEU HG 1.0 . 4.76 163 153 A 32 ASP H A 35 LEU HBy 1.0 . 4.83 164 154 A 33 ILE H A 32 ASP HBy 1.0 . 4.59 165 155 A 34 GLU H A 33 ILE HG2% 1.0 . 4.13 166 156 A 35 LEU HBx A 34 GLU H 1.0 . 4.71 167 157 A 33 ILE HG1x A 34 GLU H 1.0 . 3.87 168 158 A 34 GLU H A 33 ILE HG1y 1.0 . 3.98 169 159 A 34 GLU H A 35 LEU HBy 1.0 . 5.38 170 160 A 33 ILE HB A 34 GLU H 1.0 . 3.71 171 161 A 32 ASP HA A 34 GLU H 1.0 . 4.15 172 162 A 36 LEU H A 34 GLU H 1.0 . 4.37 173 163 A 35 LEU H A 35 LEU HDx% 1.0 . 4.19 174 164 A 35 LEU H A 35 LEU HDy% 1.0 . 3.87 175 165 A 35 LEU H A 38 ALA HB% 1.0 . 4.80 176 166 A 35 LEU H A 36 LEU HG 1.0 . 4.59 177 167 A 35 LEU H A 35 LEU HBy 1.0 . 3.73 178 168 A 35 LEU H A 34 GLU HBy 1.0 . 3.98 179 169 A 35 LEU H A 34 GLU HBx 1.0 . 4.17 180 170 A 35 LEU H A 32 ASP HBy 1.0 . 4.43 181 171 A 36 LEU H A 35 LEU HBx 1.0 . 4.07 182 172 A 36 LEU H A 36 LEU HBx 1.0 . 4.07 183 173 A 36 LEU H A 37 ALA HB% 1.0 . 4.63 184 174 A 36 LEU H A 36 LEU HG 1.0 . 3.68 185 175 A 36 LEU H A 35 LEU HBy 1.0 . 3.74 186 176 A 36 LEU H A 32 ASP HBy 1.0 . 4.79 187 177 A 36 LEU H A 34 GLU HA 1.0 . 4.96 188 178 A 37 ALA H A 36 LEU HDy% 1.0 . 4.45 189 179 A 37 ALA H A 36 LEU HDx% 1.0 . 4.64 190 180 A 37 ALA H A 36 LEU HBx 1.0 . 3.77 191 181 A 37 ALA H A 36 LEU HBy 1.0 . 3.88 192 182 A 37 ALA H A 34 GLU HA 1.0 . 3.90 193 183 A 35 LEU H A 37 ALA H 1.0 . 4.39 194 184 A 36 LEU H A 37 ALA H 1.0 . 3.52 195 185 A 38 ALA H A 39 CYS HBy 1.0 . 5.50 196 186 A 38 ALA H A 35 LEU HA 1.0 . 4.01 197 187 A 39 CYS H A 15 LEU HDx% 1.0 . 4.52 198 188 A 39 CYS H A 36 LEU HDy% 1.0 . 5.04 199 189 A 39 CYS H A 39 CYS HBy 1.0 . 3.92 200 190 A 39 CYS H A 40 ARG H 1.0 . 4.03 201 191 A 38 ALA HB% A 40 ARG H 1.0 . 4.88 202 192 A 37 ALA HB% A 40 ARG H 1.0 . 5.10 203 193 A 40 ARG H A 39 CYS HBx 1.0 . 4.24 204 194 A 39 CYS HBy A 40 ARG H 1.0 . 4.42 205 195 A 38 ALA H A 40 ARG H 1.0 . 4.80 206 196 A 41 GLU H A 41 GLU HBx 1.0 . 3.71 207 196 A 41 GLU H A 41 GLU HBy 1.0 . 3.71 208 197 A 41 GLU H A 38 ALA HA 1.0 . 3.81 209 198 A 40 ARG H A 41 GLU H 1.0 . 3.99 210 199 A 15 LEU HDx% A 42 GLU H 1.0 . 4.81 211 200 A 42 GLU H A 42 GLU HBy 1.0 . 3.95 212 201 A 42 GLU H A 42 GLU HGy 1.0 . 4.30 213 202 A 42 GLU H A 42 GLU HBx 1.0 . 3.95 214 203 A 42 GLU H A 42 GLU HGx 1.0 . 4.30 215 204 A 43 PHE HBx A 42 GLU H 1.0 . 4.57 216 205 A 42 GLU H A 39 CYS HA 1.0 . 4.42 217 206 A 38 ALA HA A 42 GLU H 1.0 . 4.24 218 207 A 43 PHE H A 42 GLU H 1.0 . 3.67 219 208 A 43 PHE HBx A 43 PHE H 1.0 . 4.04 220 209 A 43 PHE HD% A 43 PHE H 1.0 . 4.47 221 210 A 46 ARG H A 47 LEU H 1.0 . 3.81 222 211 A 45 ARG H A 45 ARG HGy 1.0 . 4.69 223 212 A 45 ARG H A 45 ARG HGx 1.0 . 4.69 224 213 A 45 ARG H A 45 ARG HBx 1.0 . 4.05 225 213 A 45 ARG H A 45 ARG HBy 1.0 . 4.05 226 214 A 45 ARG H A 42 GLU HA 1.0 . 4.79 227 215 A 47 LEU H A 47 LEU HG 1.0 . 4.60 228 216 A 47 LEU H A 44 HIS HA 1.0 . 4.45 229 217 A 51 HIS H A 51 HIS HBx 1.0 . 3.78 230 217 A 51 HIS H A 51 HIS HBy 1.0 . 3.78 231 218 A 53 TRP H A 51 HIS HBx 1.0 . 5.43 232 218 A 53 TRP H A 51 HIS HBy 1.0 . 5.43 233 219 A 53 TRP H A 50 TYR HA 1.0 . 4.18 234 220 A 54 LYS H A 54 LYS HGx 1.0 . 4.18 235 220 A 54 LYS H A 54 LYS HGy 1.0 . 4.18 236 221 A 54 LYS H A 54 LYS HBy 1.0 . 3.92 237 222 A 54 LYS H A 54 LYS HBx 1.0 . 3.92 238 223 A 54 LYS H A 53 TRP HBy 1.0 . 4.52 239 224 A 54 LYS H A 53 TRP HBx 1.0 . 4.52 240 225 A 54 LYS H A 55 SER H 1.0 . 3.83 241 226 A 23 LEU H A 23 LEU HD11 1.0 . 4.61 242 227 A 23 LEU H A 21 ALA HB% 1.0 . 4.48 243 228 A 23 LEU H A 23 LEU HG 1.0 . 3.84 244 229 A 23 LEU H A 22 GLU HBx 1.0 . 4.31 245 230 A 23 LEU H A 18 TRP HBy 1.0 . 4.32 246 231 A 23 LEU H A 18 TRP HE3 1.0 . 4.00 247 232 A 23 LEU H A 25 ASP H 1.0 . 4.55 248 233 A 58 LYS H A 58 LYS HGx 1.0 . 4.36 249 233 A 58 LYS H A 58 LYS HGy 1.0 . 4.36 250 234 A 58 LYS H A 58 LYS HBy 1.0 . 3.96 251 235 A 59 LYS H A 58 LYS H 1.0 . 4.11 252 236 A 59 LYS H A 59 LYS HGx 1.0 . 4.09 253 236 A 59 LYS H A 59 LYS HGy 1.0 . 4.09 254 237 A 11 LYS H A 11 LYS HGx 1.0 . 4.10 255 238 A 14 ASP H A 13 TYR HD% 1.0 . 3.72 256 239 A 22 GLU H A 19 LYS HBx 1.0 . 3.75 257 240 A 22 GLU H A 22 GLU HGy 1.0 . 4.06 258 241 A 22 GLU H A 22 GLU HGx 1.0 . 4.06 259 242 A 22 GLU H A 22 GLU HBx 1.0 . 3.70 260 243 A 22 GLU H A 18 TRP HBy 1.0 . 5.48 261 244 A 22 GLU H A 19 LYS HA 1.0 . 5.22 262 245 A 24 ARG H A 23 LEU HD21 1.0 . 4.81 263 246 A 24 ARG H A 23 LEU HD11 1.0 . 4.81 264 247 A 24 ARG H A 25 ASP HBx 1.0 . 5.50 265 248 A 24 ARG H A 25 ASP HBy 1.0 . 5.50 266 249 A 29 THR H A 29 THR HB 1.0 . 3.80 267 250 A 39 CYS H A 41 GLU H 1.0 . 5.02 268 251 A 45 ARG H A 42 GLU H 1.0 . 4.97 269 252 A 43 PHE HD% A 42 GLU H 1.0 . 5.43 270 253 A 48 LYS HA A 51 HIS H 1.0 . 4.92 271 254 A 60 ARG H A 59 LYS HA 1.0 . 3.05 272 255 A 52 ALA H A 51 HIS HBx 1.0 . 3.99 273 255 A 51 HIS HBy A 52 ALA H 1.0 . 3.99 274 256 A 51 HIS H A 52 ALA H 1.0 . 4.30 275 257 A 49 VAL H A 49 VAL HGy% 1.0 . 3.93 276 258 A 49 VAL H A 49 VAL HGx% 1.0 . 3.93 277 259 A 48 LYS H A 48 LYS HBy 1.0 . 4.18 278 260 A 48 LYS H A 48 LYS HBx 1.0 . 4.18 279 261 A 48 LYS H A 48 LYS HGx 1.0 . 5.21 280 262 A 49 VAL H A 48 LYS HGx 1.0 . 5.50 281 263 A 49 VAL H A 52 ALA HB% 1.0 . 5.50 282 264 A 49 VAL H A 46 ARG HA 1.0 . 4.42 283 265 A 15 LEU HDy% A 18 TRP HE1 1.0 . 3.63 284 266 A 18 TRP HBx A 18 TRP HE1 1.0 . 5.16 285 267 A 18 TRP HE1 A 15 LEU HA 1.0 . 4.23 286 268 A 15 LEU H A 16 SER HBx 1.0 . 5.50 287 269 A 15 LEU H A 15 LEU HBy 1.0 . 4.14 288 270 A 39 CYS H A 35 LEU HA 1.0 . 4.43 289 271 A 27 ILE H A 29 THR H 1.0 . 4.50 290 272 A 50 TYR H A 49 VAL HGy% 1.0 . 4.32 291 273 A 34 GLU H A 34 GLU HBx 1.0 . 3.66 292 274 A 34 GLU H A 37 ALA HB% 1.0 . 4.60 293 275 A 25 ASP H A 24 ARG H 1.0 . 3.57 294 276 A 18 TRP HD1 A 16 SER H 1.0 . 4.94 295 277 A 50 TYR H A 49 VAL H 1.0 . 3.62 296 278 A 37 ALA H A 36 LEU HG 1.0 . 4.17 297 279 A 19 LYS H A 19 LYS HGy 1.0 . 3.99 298 280 A 22 GLU H A 25 ASP H 1.0 . 4.92 299 281 A 38 ALA H A 35 LEU HDx% 1.0 . 4.69 300 282 A 58 LYS H A 58 LYS HBx 1.0 . 3.96 301 283 A 23 LEU H A 21 ALA H 1.0 . 4.60 302 284 A 48 LYS H A 48 LYS HGy 1.0 . 5.21 303 285 A 49 VAL H A 48 LYS HGy 1.0 . 5.50 304 286 A 28 ASN HBy A 28 ASN HD2x 1.0 . 3.67 305 287 A 10 THR HA A 10 THR HG2% 1.0 . 3.24 306 288 A 23 LEU HA A 23 LEU HD11 1.0 . 4.02 307 289 A 18 TRP HA A 17 LYS HDx 1.0 . 4.15 308 289 A 17 LYS HDy A 18 TRP HA 1.0 . 4.15 309 290 A 13 TYR HA A 13 TYR HBx 1.0 . 3.01 310 290 A 13 TYR HBy A 13 TYR HA 1.0 . 3.01 311 291 A 13 TYR HA A 12 LYS HBx 1.0 . 4.40 312 291 A 12 LYS HBy A 13 TYR HA 1.0 . 4.40 313 292 A 28 ASN HBy A 25 ASP HA 1.0 . 3.65 314 293 A 25 ASP HA A 29 THR HG2% 1.0 . 4.13 315 294 A 29 THR HG2% A 28 ASN HA 1.0 . 4.79 316 295 A 45 ARG HBx A 45 ARG HDx 1.0 . 3.72 317 295 A 45 ARG HBy A 45 ARG HDx 1.0 . 3.72 318 296 A 41 GLU HBy A 41 GLU HGx 1.0 . 2.69 319 296 A 41 GLU HBx A 41 GLU HGx 1.0 . 2.69 320 297 A 41 GLU HBy A 41 GLU HGy 1.0 . 2.69 321 297 A 41 GLU HGy A 41 GLU HBx 1.0 . 2.69 322 298 A 38 ALA HA A 41 GLU HBx 1.0 . 3.24 323 298 A 41 GLU HBy A 38 ALA HA 1.0 . 3.24 324 299 A 35 LEU HDy% A 35 LEU HA 1.0 . 3.51 325 300 A 32 ASP HBy A 35 LEU HDy% 1.0 . 3.89 326 301 A 35 LEU HDy% A 35 LEU HBy 1.0 . 3.46 327 302 A 35 LEU HBx A 35 LEU HDy% 1.0 . 3.01 328 303 A 17 LYS HA A 17 LYS HGx 1.0 . 3.92 329 304 A 17 LYS HA A 17 LYS HGy 1.0 . 3.92 330 305 A 35 LEU HDx% A 18 TRP HZ2 1.0 . 5.11 331 306 A 35 LEU HDx% A 18 TRP HH2 1.0 . 3.65 332 307 A 35 LEU HDx% A 13 TYR HE% 1.0 . 3.64 333 308 A 35 LEU HDx% A 35 LEU HA 1.0 . 3.00 334 309 A 35 LEU HBy A 35 LEU HDx% 1.0 . 3.59 335 310 A 15 LEU HDy% A 35 LEU HDx% 1.0 . 3.90 336 311 A 15 LEU HDy% A 18 TRP HH2 1.0 . 3.96 337 312 A 15 LEU HDy% A 15 LEU HA 1.0 . 3.08 338 313 A 15 LEU HDy% A 35 LEU HDy% 1.0 . 4.16 339 314 A 15 LEU HDy% A 15 LEU HBy 1.0 . 3.03 340 315 A 37 ALA HB% A 34 GLU HA 1.0 . 2.98 341 316 A 38 ALA HB% A 35 LEU HA 1.0 . 3.30 342 317 A 38 ALA HB% A 13 TYR HBx 1.0 . 3.76 343 317 A 13 TYR HBy A 38 ALA HB% 1.0 . 3.76 344 318 A 27 ILE HG2% A 27 ILE HA 1.0 . 3.27 345 319 A 27 ILE HG1x A 27 ILE HA 1.0 . 3.41 346 320 A 15 LEU HDy% A 13 TYR HA 1.0 . 4.87 347 321 A 15 LEU HDx% A 13 TYR HA 1.0 . 5.50 348 322 A 27 ILE HG2% A 25 ASP HA 1.0 . 4.79 349 323 A 17 LYS HA A 17 LYS HEx 1.0 . 4.68 350 323 A 17 LYS HA A 17 LYS HEy 1.0 . 4.68 351 324 A 27 ILE HG2% A 28 ASN HA 1.0 . 3.92 352 325 A 15 LEU HDy% A 13 TYR HBx 1.0 . 3.76 353 325 A 13 TYR HBy A 15 LEU HDy% 1.0 . 3.76 354 326 A 15 LEU HDy% A 38 ALA HB% 1.0 . 3.72 355 327 A 35 LEU HBx A 35 LEU HDx% 1.0 . 4.14 356 328 A 35 LEU HBx A 32 ASP HBy 1.0 . 4.77 357 329 A 35 LEU HDy% A 18 TRP HZ2 1.0 . 4.74 358 330 A 15 LEU HDy% A 13 TYR HE% 1.0 . 4.50 359 331 A 15 LEU HDx% A 13 TYR HBx 1.0 . 4.41 360 331 A 13 TYR HBy A 15 LEU HDx% 1.0 . 4.41 361 332 A 37 ALA HA A 40 ARG HDx 1.0 . 4.05 362 332 A 37 ALA HA A 40 ARG HDy 1.0 . 4.05 363 333 A 38 ALA H A 37 ALA HB% 1.0 . 2.89 364 334 A 18 TRP HBx A 15 LEU HBy 1.0 . 5.50 365 335 A 18 TRP HBy A 23 LEU HD11 1.0 . 5.50 366 336 A 18 TRP HBx A 23 LEU HD11 1.0 . 5.50 367 337 A 15 LEU HDx% A 15 LEU HA 1.0 . 4.27 368 338 A 17 LYS H A 15 LEU HA 1.0 . 5.00 369 339 A 15 LEU HDx% A 35 LEU HDx% 1.0 . 3.71 370 340 A 15 LEU HDx% A 15 LEU HBy 1.0 . 3.20 371 341 A 15 LEU HDx% A 15 LEU HBx 1.0 . 3.74 372 342 A 15 LEU HDx% A 39 CYS HBx 1.0 . 4.84 373 343 A 15 LEU HDx% A 39 CYS HA 1.0 . 3.63 374 344 A 15 LEU HDx% A 38 ALA HA 1.0 . 4.18 375 345 A 15 LEU HDx% A 18 TRP HE3 1.0 . 5.50 376 346 A 15 LEU HDx% A 18 TRP HZ3 1.0 . 5.50 377 347 A 38 ALA H A 15 LEU HDx% 1.0 . 4.69 378 348 A 16 SER H A 15 LEU HDy% 1.0 . 4.47 379 349 A 15 LEU H A 15 LEU HDy% 1.0 . 3.82 380 350 A 15 LEU HDy% A 14 ASP HA 1.0 . 4.76 381 351 A 15 LEU HDx% A 14 ASP HA 1.0 . 5.27 382 352 A 15 LEU HG A 14 ASP HA 1.0 . 3.94 383 353 A 15 LEU HBx A 14 ASP HA 1.0 . 4.87 384 354 A 15 LEU H A 14 ASP HA 1.0 . 3.09 385 355 A 15 LEU H A 14 ASP HBx 1.0 . 4.62 386 356 A 15 LEU H A 14 ASP HBy 1.0 . 4.62 387 357 A 14 ASP H A 13 TYR HA 1.0 . 3.01 388 358 A 19 LYS H A 18 TRP HA 1.0 . 3.18 389 359 A 18 TRP HE1 A 18 TRP HA 1.0 . 4.85 390 360 A 15 LEU HBy A 18 TRP HA 1.0 . 5.50 391 361 A 18 TRP HA A 22 GLU HGx 1.0 . 4.88 392 362 A 22 GLU HBx A 18 TRP HBy 1.0 . 5.50 393 363 A 21 ALA H A 21 ALA HB% 1.0 . 3.18 394 364 A 21 ALA HB% A 20 TYR HD% 1.0 . 3.94 395 365 A 22 GLU H A 21 ALA HB% 1.0 . 3.59 396 366 A 19 LYS HBy A 21 ALA HB% 1.0 . 4.36 397 367 A 22 GLU HBx A 21 ALA HB% 1.0 . 4.73 398 368 A 26 THR H A 22 GLU HA 1.0 . 4.60 399 369 A 22 GLU HA A 25 ASP HBx 1.0 . 4.37 400 370 A 22 GLU HA A 25 ASP HBy 1.0 . 4.37 401 371 A 22 GLU HBx A 18 TRP HE3 1.0 . 5.50 402 372 A 22 GLU HBx A 18 TRP HZ3 1.0 . 5.50 403 373 A 34 GLU H A 34 GLU HBy 1.0 . 3.77 404 374 A 18 TRP HZ3 A 22 GLU HBy 1.0 . 5.29 405 375 A 23 LEU H A 22 GLU HBy 1.0 . 4.83 406 376 A 26 THR H A 22 GLU HBy 1.0 . 5.48 407 377 A 19 LYS H A 22 GLU HBy 1.0 . 4.73 408 378 A 22 GLU HA A 22 GLU HGy 1.0 . 3.94 409 379 A 22 GLU HA A 22 GLU HGx 1.0 . 3.94 410 380 A 28 ASN HD2y A 25 ASP HA 1.0 . 3.68 411 381 A 26 THR HB A 27 ILE HG1x 1.0 . 5.10 412 382 A 26 THR HA A 35 LEU HDy% 1.0 . 5.50 413 383 A 26 THR HA A 18 TRP HH2 1.0 . 5.48 414 384 A 15 LEU HDy% A 26 THR HG2% 1.0 . 4.93 415 385 A 26 THR HG2% A 35 LEU HDx% 1.0 . 3.47 416 386 A 26 THR HG2% A 35 LEU HDy% 1.0 . 2.79 417 387 A 26 THR HG2% A 30 SER HBy 1.0 . 3.44 418 388 A 26 THR HG2% A 26 THR HA 1.0 . 3.34 419 389 A 26 THR HG2% A 30 SER HBx 1.0 . 3.44 420 390 A 26 THR HG2% A 26 THR HG1 1.0 . 3.93 421 391 A 26 THR HG2% A 18 TRP HZ3 1.0 . 3.38 422 392 A 27 ILE H A 26 THR HG2% 1.0 . 4.07 423 393 A 30 SER H A 26 THR HG2% 1.0 . 3.76 424 394 A 33 ILE HG1x A 34 GLU HA 1.0 . 4.51 425 395 A 32 ASP HA A 33 ILE HG1y 1.0 . 4.49 426 396 A 33 ILE H A 33 ILE HG1y 1.0 . 3.58 427 397 A 33 ILE HG1x A 33 ILE HG2% 1.0 . 3.23 428 398 A 33 ILE HG2% A 33 ILE HG1y 1.0 . 2.98 429 399 A 33 ILE HG2% A 33 ILE HA 1.0 . 3.04 430 400 A 32 ASP HA A 33 ILE HG2% 1.0 . 4.21 431 401 A 33 ILE H A 33 ILE HG2% 1.0 . 3.15 432 402 A 33 ILE HB A 33 ILE HD1% 1.0 . 3.05 433 403 A 33 ILE HD1% A 34 GLU HGy 1.0 . 4.05 434 404 A 34 GLU HBy A 33 ILE HD1% 1.0 . 4.63 435 405 A 33 ILE HA A 33 ILE HD1% 1.0 . 4.19 436 406 A 34 GLU HA A 33 ILE HD1% 1.0 . 4.12 437 407 A 34 GLU H A 33 ILE HD1% 1.0 . 4.07 438 408 A 33 ILE H A 33 ILE HD1% 1.0 . 3.82 439 409 A 28 ASN HD2y A 28 ASN HA 1.0 . 4.02 440 410 A 30 SER H A 28 ASN HA 1.0 . 5.01 441 411 A 44 HIS HA A 47 LEU HBx 1.0 . 4.44 442 412 A 30 SER HA A 31 CYS HBx 1.0 . 4.46 443 413 A 35 LEU HDy% A 30 SER HBx 1.0 . 4.13 444 414 A 32 ASP HBy A 35 LEU HA 1.0 . 4.76 445 415 A 32 ASP HBx A 35 LEU HDy% 1.0 . 4.08 446 416 A 35 LEU HBx A 32 ASP HBx 1.0 . 4.16 447 417 A 32 ASP HBx A 35 LEU HBy 1.0 . 4.35 448 418 A 27 ILE HG2% A 27 ILE HD1% 1.0 . 3.26 449 419 A 27 ILE HG2% A 39 CYS HBy 1.0 . 5.09 450 420 A 27 ILE HG2% A 24 ARG HA 1.0 . 3.55 451 421 A 28 ASN HD2y A 27 ILE HG2% 1.0 . 4.30 452 422 A 27 ILE H A 27 ILE HG2% 1.0 . 3.88 453 423 A 34 GLU HA A 34 GLU HGx 1.0 . 3.03 454 424 A 34 GLU HA A 34 GLU HGy 1.0 . 3.82 455 425 A 13 TYR HE% A 34 GLU HGy 1.0 . 3.87 456 426 A 35 LEU H A 34 GLU HGy 1.0 . 4.08 457 427 A 35 LEU H A 34 GLU HGx 1.0 . 4.30 458 428 A 34 GLU H A 34 GLU HGx 1.0 . 3.22 459 429 A 34 GLU H A 34 GLU HGy 1.0 . 3.16 460 430 A 33 ILE H A 34 GLU HGy 1.0 . 4.71 461 431 A 33 ILE H A 34 GLU HGx 1.0 . 4.93 462 432 A 35 LEU HA A 39 CYS HBx 1.0 . 4.61 463 433 A 34 GLU H A 35 LEU HA 1.0 . 5.44 464 434 A 32 ASP HBy A 35 LEU HBy 1.0 . 4.18 465 435 A 35 LEU H A 35 LEU HG 1.0 . 5.11 466 436 A 32 ASP H A 35 LEU HDy% 1.0 . 5.27 467 437 A 36 LEU H A 35 LEU HDy% 1.0 . 4.92 468 438 A 39 CYS H A 35 LEU HDx% 1.0 . 4.11 469 439 A 27 ILE HG1x A 36 LEU HA 1.0 . 3.42 470 440 A 39 CYS HBx A 36 LEU HA 1.0 . 4.02 471 441 A 39 CYS HBy A 36 LEU HA 1.0 . 4.05 472 442 A 36 LEU H A 36 LEU HDx% 1.0 . 3.78 473 443 A 38 ALA H A 37 ALA HA 1.0 . 3.57 474 444 A 39 CYS H A 37 ALA HA 1.0 . 4.90 475 445 A 39 CYS H A 37 ALA HB% 1.0 . 4.56 476 446 A 39 CYS H A 38 ALA HB% 1.0 . 3.47 477 447 A 38 ALA HB% A 42 GLU H 1.0 . 4.75 478 448 A 38 ALA HB% A 39 CYS HBx 1.0 . 4.05 479 449 A 27 ILE HG2% A 39 CYS HBx 1.0 . 5.50 480 450 A 45 ARG HA A 45 ARG HGy 1.0 . 4.22 481 451 A 45 ARG HA A 45 ARG HGx 1.0 . 4.22 482 452 A 43 PHE HBx A 40 ARG HA 1.0 . 3.82 483 453 A 43 PHE HD% A 40 ARG HA 1.0 . 4.68 484 454 A 46 ARG H A 45 ARG HBx 1.0 . 4.07 485 454 A 46 ARG H A 45 ARG HBy 1.0 . 4.07 486 455 A 46 ARG H A 49 VAL HGx% 1.0 . 5.50 487 456 A 12 LYS HA A 12 LYS HBx 1.0 . 2.78 488 456 A 12 LYS HBy A 12 LYS HA 1.0 . 2.78 489 457 A 12 LYS HBx A 12 LYS HEx 1.0 . 3.48 490 457 A 12 LYS HEy A 12 LYS HBx 1.0 . 3.48 491 457 A 12 LYS HBy A 12 LYS HEy 1.0 . 3.48 492 457 A 12 LYS HBy A 12 LYS HEx 1.0 . 3.48 493 458 A 12 LYS HBy A 12 LYS HGy 1.0 . 2.89 494 458 A 12 LYS HGy A 12 LYS HBx 1.0 . 2.89 495 459 A 12 LYS HBy A 12 LYS HGx 1.0 . 2.89 496 459 A 12 LYS HBx A 12 LYS HGx 1.0 . 2.89 497 460 A 12 LYS HEy A 12 LYS HGx 1.0 . 3.45 498 460 A 12 LYS HEx A 12 LYS HGx 1.0 . 3.45 499 461 A 12 LYS HEy A 12 LYS HGy 1.0 . 3.45 500 461 A 12 LYS HGy A 12 LYS HEx 1.0 . 3.45 501 462 A 12 LYS H A 12 LYS HGy 1.0 . 3.52 502 463 A 18 TRP HD1 A 17 LYS HA 1.0 . 5.00 503 464 A 19 LYS HA A 19 LYS HGx 1.0 . 4.06 504 465 A 22 GLU H A 19 LYS HBy 1.0 . 4.98 505 466 A 22 GLU HBx A 19 LYS HBx 1.0 . 3.71 506 467 A 52 ALA H A 52 ALA HB% 1.0 . 2.98 507 468 A 53 TRP H A 52 ALA HB% 1.0 . 3.35 508 469 A 18 TRP HA A 22 GLU HGy 1.0 . 4.88 509 470 A 39 CYS HBx A 27 ILE HD1% 1.0 . 4.29 510 471 A 27 ILE HD1% A 40 ARG HA 1.0 . 4.30 511 472 A 27 ILE H A 27 ILE HD1% 1.0 . 4.57 512 473 A 27 ILE HB A 27 ILE HD1% 1.0 . 3.65 513 474 A 39 CYS HBy A 27 ILE HD1% 1.0 . 3.89 514 475 A 27 ILE HD1% A 24 ARG HA 1.0 . 4.38 515 476 A 27 ILE HA A 27 ILE HD1% 1.0 . 4.99 516 477 A 27 ILE HD1% A 36 LEU HA 1.0 . 4.91 517 478 A 43 PHE HD% A 27 ILE HD1% 1.0 . 4.96 518 479 A 26 THR H A 27 ILE HG2% 1.0 . 5.09 519 480 A 28 ASN HD2y A 29 THR HA 1.0 . 4.38 520 481 A 30 SER H A 29 THR HB 1.0 . 4.53 521 482 A 29 THR HG2% A 25 ASP HBx 1.0 . 4.98 522 483 A 29 THR HG2% A 25 ASP HBy 1.0 . 4.98 523 484 A 29 THR HG2% A 29 THR HA 1.0 . 2.66 524 485 A 29 THR HG2% A 28 ASN HD2x 1.0 . 4.47 525 486 A 29 THR H A 29 THR HG2% 1.0 . 3.16 526 487 A 28 ASN HD2y A 29 THR HG2% 1.0 . 3.41 527 488 A 30 SER H A 29 THR HG2% 1.0 . 3.92 528 489 A 30 SER HA A 26 THR HG2% 1.0 . 4.69 529 490 A 36 LEU HDy% A 31 CYS HA 1.0 . 3.52 530 491 A 36 LEU HDx% A 31 CYS HA 1.0 . 4.10 531 492 A 31 CYS HBy A 36 LEU HDx% 1.0 . 5.44 532 493 A 31 CYS HBy A 36 LEU HDy% 1.0 . 5.08 533 494 A 31 CYS HBx A 36 LEU HDy% 1.0 . 4.48 534 495 A 31 CYS HBx A 36 LEU HDx% 1.0 . 4.95 535 496 A 32 ASP H A 31 CYS HBx 1.0 . 4.55 536 497 A 32 ASP H A 31 CYS HBy 1.0 . 4.43 537 498 A 38 ALA H A 34 GLU HA 1.0 . 4.17 538 499 A 35 LEU HDx% A 39 CYS HBx 1.0 . 3.55 539 500 A 32 ASP H A 36 LEU HDy% 1.0 . 3.94 540 501 A 36 LEU H A 36 LEU HDy% 1.0 . 3.54 541 502 A 35 LEU H A 36 LEU HDy% 1.0 . 5.01 542 503 A 43 PHE HE% A 23 LEU HD11 1.0 . 5.15 543 504 A 49 VAL HA A 49 VAL HGx% 1.0 . 3.86 544 505 A 49 VAL HA A 49 VAL HGy% 1.0 . 3.86 545 506 A 46 ARG H A 49 VAL HGy% 1.0 . 5.50 546 507 A 52 ALA HB% A 51 HIS HBx 1.0 . 4.53 547 507 A 51 HIS HBy A 52 ALA HB% 1.0 . 4.53 548 508 A 60 ARG HA A 60 ARG HGx 1.0 . 2.72 549 508 A 60 ARG HA A 60 ARG HGy 1.0 . 2.72 550 509 A 60 ARG H A 60 ARG HBx 1.0 . 3.66 551 510 A 60 ARG H A 60 ARG HBy 1.0 . 3.66 552 511 A 55 SER H A 55 SER HBx 1.0 . 3.57 553 511 A 55 SER H A 55 SER HBy 1.0 . 3.57 554 512 A 56 LYS H A 55 SER HBx 1.0 . 4.01 555 512 A 55 SER HBy A 56 LYS H 1.0 . 4.01 556 513 A 55 SER HA A 55 SER HBx 1.0 . 3.00 557 513 A 55 SER HBy A 55 SER HA 1.0 . 3.00 558 514 A 39 CYS HBx A 27 ILE HG1y 1.0 . 4.51 559 515 A 27 ILE H A 27 ILE HG1y 1.0 . 4.74 560 516 A 27 ILE H A 27 ILE HG1x 1.0 . 5.25 561 517 A 27 ILE HB A 24 ARG HA 1.0 . 4.41 562 518 A 44 HIS H A 43 PHE HBy 1.0 . 4.99 563 519 A 45 ARG HBy A 45 ARG HDy 1.0 . 3.72 564 519 A 45 ARG HDy A 45 ARG HBx 1.0 . 3.72 565 520 A 42 GLU H A 41 GLU HBx 1.0 . 3.33 566 520 A 41 GLU HBy A 42 GLU H 1.0 . 3.33 567 521 A 36 LEU HDy% A 36 LEU HBx 1.0 . 3.80 568 522 A 36 LEU HDx% A 36 LEU HBx 1.0 . 3.79 569 523 A 38 ALA H A 36 LEU HBx 1.0 . 5.18 570 524 A 36 LEU HDy% A 36 LEU HA 1.0 . 2.81 571 525 A 36 LEU HDy% A 39 CYS HBy 1.0 . 4.46 572 526 A 36 LEU HDy% A 36 LEU HBy 1.0 . 2.91 573 527 A 36 LEU HDy% A 39 CYS HBx 1.0 . 4.11 574 528 A 36 LEU HG A 33 ILE HA 1.0 . 4.20 575 529 A 18 TRP HBy A 23 LEU HD21 1.0 . 5.50 576 530 A 18 TRP HBx A 23 LEU HD21 1.0 . 5.50 577 531 A 43 PHE HE% A 23 LEU HD21 1.0 . 5.15 578 532 A 23 LEU H A 23 LEU HD21 1.0 . 4.61 579 533 A 37 ALA HB% A 33 ILE HA 1.0 . 4.20 580 534 A 28 ASN HBy A 29 THR HG2% 1.0 . 4.45 581 535 A 13 TYR HD% A 12 LYS HA 1.0 . 3.83 582 536 A 13 TYR HE% A 12 LYS HA 1.0 . 5.25 583 537 A 11 LYS H A 10 THR HB 1.0 . 3.81 584 538 A 11 LYS HA A 11 LYS HBx 1.0 . 2.64 585 538 A 11 LYS HBy A 11 LYS HA 1.0 . 2.64 586 539 A 12 LYS H A 12 LYS HBx 1.0 . 2.75 587 539 A 12 LYS H A 12 LYS HBy 1.0 . 2.75 588 540 A 12 LYS HA A 13 TYR HBx 1.0 . 5.14 589 540 A 13 TYR HBy A 12 LYS HA 1.0 . 5.14 590 541 A 15 LEU HG A 13 TYR HBx 1.0 . 4.64 591 541 A 15 LEU HG A 13 TYR HBy 1.0 . 4.64 592 542 A 23 LEU H A 20 TYR HA 1.0 . 4.80 593 543 A 47 LEU H A 43 PHE HA 1.0 . 4.74 594 544 A 19 LYS HA A 19 LYS HGy 1.0 . 4.06 595 545 A 19 LYS HBy A 19 LYS HDy 1.0 . 3.72 596 546 A 19 LYS HBy A 19 LYS HDx 1.0 . 3.72 597 547 A 19 LYS H A 19 LYS HDx 1.0 . 4.21 598 548 A 19 LYS H A 19 LYS HDy 1.0 . 4.21 599 549 A 52 ALA H A 50 TYR HBx 1.0 . 4.93 600 549 A 50 TYR HBy A 52 ALA H 1.0 . 4.93 601 550 A 32 ASP HA A 33 ILE HG1x 1.0 . 4.13 602 551 A 18 TRP HE3 A 23 LEU HA 1.0 . 3.62 603 552 A 15 LEU HDy% A 39 CYS HA 1.0 . 5.36 604 553 A 15 LEU HDx% A 42 GLU HA 1.0 . 5.50 605 554 A 42 GLU HA A 45 ARG HBx 1.0 . 3.83 606 554 A 45 ARG HBy A 42 GLU HA 1.0 . 3.83 607 555 A 43 PHE HD% A 42 GLU HA 1.0 . 5.50 608 556 A 52 ALA HB% A 49 VAL HA 1.0 . 4.25 609 557 A 52 ALA H A 49 VAL HA 1.0 . 4.89 610 558 A 53 TRP H A 49 VAL HA 1.0 . 5.41 611 559 A 49 VAL HB A 52 ALA H 1.0 . 5.50 612 560 A 53 TRP H A 49 VAL HB 1.0 . 5.50 613 561 A 49 VAL HB A 46 ARG HA 1.0 . 5.22 614 562 A 18 TRP HBy A 19 LYS HA 1.0 . 4.99 615 563 A 18 TRP HBx A 17 LYS HA 1.0 . 5.25 616 564 A 12 LYS HBy A 13 TYR HBx 1.0 . 4.39 617 564 A 12 LYS HBx A 13 TYR HBx 1.0 . 4.39 618 564 A 13 TYR HBy A 12 LYS HBx 1.0 . 4.39 619 564 A 13 TYR HBy A 12 LYS HBy 1.0 . 4.39 620 565 A 21 ALA HB% A 22 GLU HGx 1.0 . 5.42 621 566 A 21 ALA HB% A 22 GLU HGy 1.0 . 5.42 622 567 A 34 GLU HBy A 13 TYR HE% 1.0 . 4.51 623 568 A 13 TYR HD% A 34 GLU HGx 1.0 . 5.50 624 569 A 13 TYR HD% A 34 GLU HGy 1.0 . 5.29 625 570 A 33 ILE HA A 34 GLU HGx 1.0 . 5.13 626 571 A 42 GLU H A 40 ARG HA 1.0 . 4.63 627 572 A 43 PHE HD% A 23 LEU HBx 1.0 . 5.50 628 573 A 23 LEU HBx A 43 PHE HZ 1.0 . 5.50 629 574 A 60 ARG HDx A 60 ARG HGx 1.0 . 2.71 630 574 A 60 ARG HDy A 60 ARG HGx 1.0 . 2.71 631 574 A 60 ARG HGy A 60 ARG HDx 1.0 . 2.71 632 574 A 60 ARG HGy A 60 ARG HDy 1.0 . 2.71 633 575 A 60 ARG H A 60 ARG HGx 1.0 . 3.60 634 575 A 60 ARG H A 60 ARG HGy 1.0 . 3.60 635 576 A 32 ASP HA A 33 ILE HA 1.0 . 4.36 636 577 A 32 ASP HA A 36 LEU HG 1.0 . 5.20 637 578 A 32 ASP HA A 35 LEU HBy 1.0 . 4.99 638 579 A 33 ILE HG1x A 33 ILE HA 1.0 . 3.89 639 580 A 36 LEU HBx A 33 ILE HA 1.0 . 4.08 640 581 A 37 ALA H A 33 ILE HA 1.0 . 4.38 641 582 A 36 LEU H A 33 ILE HA 1.0 . 4.25 642 583 A 37 ALA H A 33 ILE HG2% 1.0 . 5.32 643 584 A 37 ALA HA A 41 GLU HBx 1.0 . 5.50 644 584 A 41 GLU HBy A 37 ALA HA 1.0 . 5.50 645 585 A 15 LEU HDx% A 38 ALA HB% 1.0 . 3.02 646 586 A 35 LEU HDx% A 38 ALA HB% 1.0 . 3.48 647 587 A 15 LEU HG A 38 ALA HB% 1.0 . 3.74 648 588 A 38 ALA HB% A 41 GLU HBx 1.0 . 3.95 649 588 A 38 ALA HB% A 41 GLU HBy 1.0 . 3.95 650 589 A 38 ALA H A 38 ALA HB% 1.0 . 2.88 651 590 A 37 ALA HA A 36 LEU HA 1.0 . 4.99 652 591 A 18 TRP HE3 A 23 LEU HG 1.0 . 4.47 653 592 A 38 ALA HB% A 39 CYS HA 1.0 . 4.64 654 593 A 27 ILE HG1x A 39 CYS HBx 1.0 . 4.60 655 594 A 35 LEU HDy% A 30 SER HBy 1.0 . 4.13 656 595 A 26 THR HG2% A 27 ILE HA 1.0 . 3.93 657 596 A 30 SER H A 27 ILE HA 1.0 . 4.33 658 597 A 39 CYS HBy A 27 ILE HG1y 1.0 . 4.77 659 598 A 44 HIS HA A 47 LEU HBy 1.0 . 4.44 660 599 A 44 HIS HA A 44 HIS HE1 1.0 . 4.98 661 600 A 23 LEU HA A 23 LEU HG 1.0 . 3.98 662 601 A 23 LEU HA A 23 LEU HD21 1.0 . 4.02 663 602 A 14 ASP HA A 13 TYR HA 1.0 . 4.63 664 603 A 12 LYS H A 12 LYS HGx 1.0 . 3.52 665 604 A 17 LYS HA A 17 LYS HDx 1.0 . 3.18 666 604 A 17 LYS HDy A 17 LYS HA 1.0 . 3.18 667 605 A 43 PHE HE% A 24 ARG HA 1.0 . 5.50 668 606 A 43 PHE HZ A 24 ARG HA 1.0 . 5.50 669 607 A 23 LEU H A 24 ARG HA 1.0 . 5.50 670 608 A 33 ILE HG1y A 33 ILE HA 1.0 . 4.00 671 609 A 36 LEU HDx% A 36 LEU HBy 1.0 . 3.26 672 610 A 37 ALA HB% A 40 ARG HDx 1.0 . 5.24 673 610 A 37 ALA HB% A 40 ARG HDy 1.0 . 5.24 674 611 A 56 LYS HA A 56 LYS HGx 1.0 . 2.99 675 611 A 56 LYS HA A 56 LYS HGy 1.0 . 2.99 676 612 A 56 LYS HA A 56 LYS HEx 1.0 . 3.92 677 612 A 56 LYS HA A 56 LYS HEy 1.0 . 3.92 678 613 A 11 LYS H A 11 LYS HGy 1.0 . 4.10 679 614 A 14 ASP HA A 15 LEU HA 1.0 . 4.64 680 615 A 35 LEU HDy% A 34 GLU HBx 1.0 . 4.44 681 616 A 35 LEU HDy% A 34 GLU HBy 1.0 . 5.49 682 617 A 26 THR HB A 35 LEU HDy% 1.0 . 5.03 683 618 A 13 TYR HD% A 15 LEU HDy% 1.0 . 3.37 684 619 A 13 TYR HD% A 15 LEU HDx% 1.0 . 3.98 685 620 A 13 TYR HD% A 35 LEU HDx% 1.0 . 4.51 686 621 A 13 TYR HD% A 35 LEU HDy% 1.0 . 3.87 687 622 A 13 TYR HD% A 38 ALA HB% 1.0 . 3.68 688 623 A 13 TYR HD% A 12 LYS HBx 1.0 . 3.57 689 623 A 13 TYR HD% A 12 LYS HBy 1.0 . 3.57 690 624 A 13 TYR HD% A 35 LEU HA 1.0 . 4.31 691 625 A 13 TYR HD% A 13 TYR HA 1.0 . 3.19 692 626 A 35 LEU HDy% A 13 TYR HE% 1.0 . 3.80 693 627 A 35 LEU HBx A 13 TYR HE% 1.0 . 3.94 694 628 A 38 ALA HB% A 13 TYR HE% 1.0 . 4.53 695 629 A 13 TYR HE% A 12 LYS HBx 1.0 . 4.15 696 629 A 12 LYS HBy A 13 TYR HE% 1.0 . 4.15 697 630 A 13 TYR HE% A 34 GLU HGx 1.0 . 4.48 698 631 A 13 TYR HE% A 12 LYS HEx 1.0 . 4.69 699 631 A 13 TYR HE% A 12 LYS HEy 1.0 . 4.69 700 632 A 35 LEU HA A 13 TYR HE% 1.0 . 4.01 701 633 A 13 TYR HA A 13 TYR HE% 1.0 . 4.55 702 634 A 35 LEU H A 13 TYR HE% 1.0 . 4.20 703 635 A 18 TRP HD1 A 15 LEU HDy% 1.0 . 3.84 704 636 A 18 TRP HD1 A 15 LEU HBy 1.0 . 4.33 705 637 A 18 TRP HD1 A 15 LEU HA 1.0 . 4.00 706 638 A 18 TRP HD1 A 18 TRP HA 1.0 . 3.65 707 639 A 15 LEU HDy% A 18 TRP HZ2 1.0 . 4.29 708 640 A 15 LEU HDx% A 18 TRP HZ2 1.0 . 5.18 709 641 A 26 THR HG2% A 18 TRP HZ2 1.0 . 4.86 710 642 A 35 LEU HDy% A 18 TRP HH2 1.0 . 3.83 711 643 A 26 THR HG2% A 18 TRP HH2 1.0 . 3.87 712 644 A 15 LEU HDy% A 18 TRP HZ3 1.0 . 4.86 713 645 A 35 LEU HDy% A 18 TRP HZ3 1.0 . 5.05 714 646 A 23 LEU HA A 18 TRP HZ3 1.0 . 4.30 715 647 A 26 THR HB A 18 TRP HZ3 1.0 . 4.31 716 648 A 18 TRP HE3 A 26 THR HG2% 1.0 . 4.90 717 649 A 18 TRP HE3 A 22 GLU HBy 1.0 . 4.53 718 650 A 18 TRP HBy A 18 TRP HE3 1.0 . 4.12 719 651 A 44 HIS HA A 44 HIS HD2 1.0 . 4.30 720 652 A 53 TRP HA A 53 TRP HD1 1.0 . 4.29 721 653 A 34 GLU HBx A 13 TYR HE% 1.0 . 3.85 722 654 A 43 PHE HD% A 43 PHE HA 1.0 . 3.73 723 655 A 51 HIS HD2 A 51 HIS HBx 1.0 . 3.96 724 655 A 51 HIS HBy A 51 HIS HD2 1.0 . 3.96 725 656 A 51 HIS HD2 A 51 HIS HA 1.0 . 4.26 726 657 A 20 TYR HD% A 20 TYR HA 1.0 . 3.89 727 658 A 21 ALA H A 20 TYR HD% 1.0 . 4.50 728 659 A 18 TRP HD1 A 15 LEU HDx% 1.0 . 5.42 729 660 A 53 TRP H A 53 TRP HD1 1.0 . 4.09 730 661 A 26 THR H A 18 TRP HZ3 1.0 . 4.28 731 662 A 11 LYS H A 11 LYS HGy 1.0 . 3.46 732 662 A 11 LYS H A 11 LYS HGx 1.0 . 3.46 733 663 A 11 LYS HA A 11 LYS HGy 1.0 . 3.73 734 663 A 11 LYS HA A 11 LYS HGx 1.0 . 3.73 735 664 A 12 LYS HA A 12 LYS HGx 1.0 . 3.41 736 664 A 12 LYS HA A 12 LYS HGy 1.0 . 3.41 737 665 A 12 LYS HEy A 12 LYS HGx 1.0 . 2.62 738 665 A 12 LYS HEx A 12 LYS HGx 1.0 . 2.62 739 665 A 12 LYS HGy A 12 LYS HEx 1.0 . 2.62 740 665 A 12 LYS HEy A 12 LYS HGy 1.0 . 2.62 741 666 A 13 TYR HA A 14 ASP HBx 1.0 . 4.40 742 666 A 13 TYR HA A 14 ASP HBy 1.0 . 4.40 743 667 A 14 ASP H A 14 ASP HBx 1.0 . 3.08 744 667 A 14 ASP H A 14 ASP HBy 1.0 . 3.08 745 668 A 15 LEU H A 14 ASP HBx 1.0 . 3.96 746 668 A 15 LEU H A 14 ASP HBy 1.0 . 3.96 747 669 A 15 LEU HDx% A 23 LEU HD21 1.0 . 5.44 748 669 A 15 LEU HDx% A 23 LEU HD11 1.0 . 5.44 749 670 A 15 LEU HDx% A 42 GLU HBx 1.0 . 4.19 750 670 A 15 LEU HDx% A 42 GLU HBy 1.0 . 4.19 751 671 A 15 LEU HDx% A 42 GLU HGx 1.0 . 4.10 752 671 A 15 LEU HDx% A 42 GLU HGy 1.0 . 4.10 753 672 A 15 LEU HDy% A 23 LEU HD21 1.0 . 5.44 754 672 A 15 LEU HDy% A 23 LEU HD11 1.0 . 5.44 755 673 A 17 LYS H A 16 SER HBy 1.0 . 3.96 756 673 A 17 LYS H A 16 SER HBx 1.0 . 3.96 757 674 A 16 SER HBy A 17 LYS HBy 1.0 . 5.15 758 674 A 16 SER HBx A 17 LYS HBy 1.0 . 5.15 759 674 A 17 LYS HBx A 16 SER HBy 1.0 . 5.15 760 674 A 16 SER HBx A 17 LYS HBx 1.0 . 5.15 761 675 A 17 LYS H A 17 LYS HBy 1.0 . 3.61 762 675 A 17 LYS H A 17 LYS HBx 1.0 . 3.61 763 676 A 17 LYS H A 17 LYS HGx 1.0 . 4.70 764 676 A 17 LYS H A 17 LYS HGy 1.0 . 4.70 765 677 A 17 LYS HA A 17 LYS HGx 1.0 . 3.32 766 677 A 17 LYS HA A 17 LYS HGy 1.0 . 3.32 767 678 A 17 LYS HBx A 17 LYS HEx 1.0 . 4.21 768 678 A 17 LYS HEy A 17 LYS HBy 1.0 . 4.21 769 678 A 17 LYS HEy A 17 LYS HBx 1.0 . 4.21 770 678 A 17 LYS HBy A 17 LYS HEx 1.0 . 4.21 771 679 A 18 TRP H A 17 LYS HBy 1.0 . 3.91 772 679 A 18 TRP H A 17 LYS HBx 1.0 . 3.91 773 680 A 18 TRP HD1 A 17 LYS HBy 1.0 . 4.92 774 680 A 18 TRP HD1 A 17 LYS HBx 1.0 . 4.92 775 681 A 17 LYS HEy A 17 LYS HGx 1.0 . 3.36 776 681 A 17 LYS HGy A 17 LYS HEx 1.0 . 3.36 777 681 A 17 LYS HEy A 17 LYS HGy 1.0 . 3.36 778 681 A 17 LYS HEx A 17 LYS HGx 1.0 . 3.36 779 682 A 18 TRP H A 17 LYS HGx 1.0 . 3.76 780 682 A 18 TRP H A 17 LYS HGy 1.0 . 3.76 781 683 A 18 TRP H A 23 LEU HD21 1.0 . 4.52 782 683 A 18 TRP H A 23 LEU HD11 1.0 . 4.52 783 684 A 18 TRP HA A 19 LYS HGx 1.0 . 4.22 784 684 A 18 TRP HA A 19 LYS HGy 1.0 . 4.22 785 685 A 18 TRP HA A 22 GLU HGx 1.0 . 4.28 786 685 A 18 TRP HA A 22 GLU HGy 1.0 . 4.28 787 686 A 18 TRP HBx A 23 LEU HD21 1.0 . 4.59 788 686 A 18 TRP HBx A 23 LEU HD11 1.0 . 4.59 789 687 A 18 TRP HBy A 19 LYS HGx 1.0 . 5.24 790 687 A 18 TRP HBy A 19 LYS HGy 1.0 . 5.24 791 688 A 18 TRP HBy A 23 LEU HD21 1.0 . 4.12 792 688 A 18 TRP HBy A 23 LEU HD11 1.0 . 4.12 793 689 A 18 TRP HD1 A 22 GLU HGx 1.0 . 5.34 794 689 A 18 TRP HD1 A 22 GLU HGy 1.0 . 5.34 795 690 A 18 TRP HE3 A 22 GLU HGx 1.0 . 4.71 796 690 A 18 TRP HE3 A 22 GLU HGy 1.0 . 4.71 797 691 A 18 TRP HE3 A 23 LEU HD21 1.0 . 4.03 798 691 A 18 TRP HE3 A 23 LEU HD11 1.0 . 4.03 799 692 A 18 TRP HZ3 A 23 LEU HD21 1.0 . 4.93 800 692 A 18 TRP HZ3 A 23 LEU HD11 1.0 . 4.93 801 693 A 19 LYS H A 19 LYS HGx 1.0 . 3.27 802 693 A 19 LYS H A 19 LYS HGy 1.0 . 3.27 803 694 A 19 LYS H A 19 LYS HDy 1.0 . 3.69 804 694 A 19 LYS H A 19 LYS HDx 1.0 . 3.69 805 695 A 19 LYS H A 22 GLU HGx 1.0 . 4.39 806 695 A 19 LYS H A 22 GLU HGy 1.0 . 4.39 807 696 A 19 LYS HA A 19 LYS HDy 1.0 . 3.75 808 696 A 19 LYS HA A 19 LYS HDx 1.0 . 3.75 809 697 A 19 LYS HA A 22 GLU HGx 1.0 . 5.34 810 697 A 19 LYS HA A 22 GLU HGy 1.0 . 5.34 811 698 A 19 LYS HBx A 22 GLU HGx 1.0 . 3.68 812 698 A 19 LYS HBx A 22 GLU HGy 1.0 . 3.68 813 699 A 19 LYS HEy A 19 LYS HGx 1.0 . 3.51 814 699 A 19 LYS HGy A 19 LYS HEx 1.0 . 3.51 815 699 A 19 LYS HGy A 19 LYS HEy 1.0 . 3.51 816 699 A 19 LYS HEx A 19 LYS HGx 1.0 . 3.51 817 700 A 20 TYR HA A 23 LEU HD21 1.0 . 4.04 818 700 A 20 TYR HA A 23 LEU HD11 1.0 . 4.04 819 701 A 21 ALA H A 20 TYR HBy 1.0 . 3.74 820 701 A 21 ALA H A 20 TYR HBx 1.0 . 3.74 821 702 A 21 ALA HB% A 20 TYR HBy 1.0 . 5.09 822 702 A 21 ALA HB% A 20 TYR HBx 1.0 . 5.09 823 703 A 20 TYR HD% A 23 LEU HD21 1.0 . 5.09 824 703 A 20 TYR HD% A 23 LEU HD11 1.0 . 5.09 825 704 A 21 ALA HB% A 22 GLU HGx 1.0 . 4.69 826 704 A 21 ALA HB% A 22 GLU HGy 1.0 . 4.69 827 705 A 22 GLU HA A 25 ASP HBx 1.0 . 3.77 828 705 A 22 GLU HA A 25 ASP HBy 1.0 . 3.77 829 706 A 23 LEU H A 22 GLU HGx 1.0 . 3.83 830 706 A 23 LEU H A 22 GLU HGy 1.0 . 3.83 831 707 A 23 LEU HA A 22 GLU HGx 1.0 . 4.62 832 707 A 23 LEU HA A 22 GLU HGy 1.0 . 4.62 833 708 A 23 LEU HBx A 22 GLU HGx 1.0 . 4.39 834 708 A 23 LEU HBx A 22 GLU HGy 1.0 . 4.39 835 709 A 22 GLU HGy A 23 LEU HD21 1.0 . 3.64 836 709 A 22 GLU HGx A 23 LEU HD21 1.0 . 3.64 837 709 A 23 LEU HD11 A 22 GLU HGx 1.0 . 3.64 838 709 A 23 LEU HD11 A 22 GLU HGy 1.0 . 3.64 839 710 A 23 LEU H A 23 LEU HD21 1.0 . 4.00 840 710 A 23 LEU H A 23 LEU HD11 1.0 . 4.00 841 711 A 23 LEU HA A 23 LEU HD21 1.0 . 3.38 842 711 A 23 LEU HA A 23 LEU HD11 1.0 . 3.38 843 712 A 40 ARG HA A 23 LEU HD21 1.0 . 5.28 844 712 A 40 ARG HA A 23 LEU HD11 1.0 . 5.28 845 713 A 42 GLU H A 23 LEU HD21 1.0 . 4.64 846 713 A 42 GLU H A 23 LEU HD11 1.0 . 4.64 847 714 A 42 GLU HA A 23 LEU HD21 1.0 . 5.29 848 714 A 42 GLU HA A 23 LEU HD11 1.0 . 5.29 849 715 A 43 PHE H A 23 LEU HD21 1.0 . 5.26 850 715 A 43 PHE H A 23 LEU HD11 1.0 . 5.26 851 716 A 43 PHE HA A 23 LEU HD21 1.0 . 4.40 852 716 A 43 PHE HA A 23 LEU HD11 1.0 . 4.40 853 717 A 43 PHE HD% A 23 LEU HD21 1.0 . 4.78 854 717 A 43 PHE HD% A 23 LEU HD11 1.0 . 4.78 855 718 A 43 PHE HE% A 23 LEU HD21 1.0 . 3.73 856 718 A 43 PHE HE% A 23 LEU HD11 1.0 . 3.73 857 719 A 24 ARG H A 24 ARG HGx 1.0 . 4.61 858 719 A 24 ARG H A 24 ARG HGy 1.0 . 4.61 859 720 A 24 ARG HA A 24 ARG HGx 1.0 . 3.62 860 720 A 24 ARG HA A 24 ARG HGy 1.0 . 3.62 861 721 A 25 ASP H A 24 ARG HBx 1.0 . 3.20 862 721 A 25 ASP H A 24 ARG HBy 1.0 . 3.20 863 722 A 25 ASP HA A 24 ARG HBx 1.0 . 4.48 864 722 A 25 ASP HA A 24 ARG HBy 1.0 . 4.48 865 723 A 24 ARG HBx A 25 ASP HBx 1.0 . 4.63 866 723 A 25 ASP HBy A 24 ARG HBx 1.0 . 4.63 867 723 A 25 ASP HBy A 24 ARG HBy 1.0 . 4.63 868 723 A 24 ARG HBy A 25 ASP HBx 1.0 . 4.63 869 724 A 25 ASP H A 24 ARG HGx 1.0 . 5.34 870 724 A 25 ASP H A 24 ARG HGy 1.0 . 5.34 871 725 A 25 ASP HA A 24 ARG HGx 1.0 . 4.06 872 725 A 25 ASP HA A 24 ARG HGy 1.0 . 4.06 873 726 A 25 ASP H A 25 ASP HBx 1.0 . 3.18 874 726 A 25 ASP H A 25 ASP HBy 1.0 . 3.18 875 727 A 26 THR H A 25 ASP HBx 1.0 . 3.68 876 727 A 26 THR H A 25 ASP HBy 1.0 . 3.68 877 728 A 29 THR HG2% A 25 ASP HBx 1.0 . 4.35 878 728 A 29 THR HG2% A 25 ASP HBy 1.0 . 4.35 879 729 A 29 THR H A 30 SER HBy 1.0 . 4.26 880 729 A 29 THR H A 30 SER HBx 1.0 . 4.26 881 730 A 30 SER H A 30 SER HBy 1.0 . 2.97 882 730 A 30 SER H A 30 SER HBx 1.0 . 2.97 883 731 A 31 CYS H A 30 SER HBy 1.0 . 3.58 884 731 A 31 CYS H A 30 SER HBx 1.0 . 3.58 885 732 A 32 ASP H A 30 SER HBy 1.0 . 4.95 886 732 A 32 ASP H A 30 SER HBx 1.0 . 4.95 887 733 A 35 LEU HG A 30 SER HBy 1.0 . 4.69 888 733 A 35 LEU HG A 30 SER HBx 1.0 . 4.69 889 734 A 35 LEU HDx% A 30 SER HBy 1.0 . 4.26 890 734 A 35 LEU HDx% A 30 SER HBx 1.0 . 4.26 891 735 A 35 LEU HDy% A 30 SER HBy 1.0 . 3.52 892 735 A 35 LEU HDy% A 30 SER HBx 1.0 . 3.52 893 736 A 37 ALA HA A 40 ARG HBy 1.0 . 3.46 894 736 A 37 ALA HA A 40 ARG HBx 1.0 . 3.46 895 737 A 37 ALA HA A 41 GLU HGx 1.0 . 4.48 896 737 A 37 ALA HA A 41 GLU HGy 1.0 . 4.48 897 738 A 37 ALA HB% A 41 GLU HGx 1.0 . 3.69 898 738 A 37 ALA HB% A 41 GLU HGy 1.0 . 3.69 899 739 A 38 ALA H A 41 GLU HGx 1.0 . 4.83 900 739 A 38 ALA H A 41 GLU HGy 1.0 . 4.83 901 740 A 38 ALA HA A 41 GLU HGx 1.0 . 3.45 902 740 A 38 ALA HA A 41 GLU HGy 1.0 . 3.45 903 741 A 39 CYS HA A 42 GLU HGx 1.0 . 4.09 904 741 A 39 CYS HA A 42 GLU HGy 1.0 . 4.09 905 742 A 40 ARG H A 40 ARG HBy 1.0 . 3.58 906 742 A 40 ARG H A 40 ARG HBx 1.0 . 3.58 907 743 A 41 GLU H A 40 ARG HBy 1.0 . 4.08 908 743 A 41 GLU H A 40 ARG HBx 1.0 . 4.08 909 744 A 43 PHE HBx A 40 ARG HBy 1.0 . 5.19 910 744 A 43 PHE HBx A 40 ARG HBx 1.0 . 5.19 911 745 A 41 GLU H A 41 GLU HGx 1.0 . 4.53 912 745 A 41 GLU H A 41 GLU HGy 1.0 . 4.53 913 746 A 41 GLU HBx A 41 GLU HGx 1.0 . 2.34 914 746 A 41 GLU HBy A 41 GLU HGx 1.0 . 2.34 915 746 A 41 GLU HGy A 41 GLU HBx 1.0 . 2.34 916 746 A 41 GLU HBy A 41 GLU HGy 1.0 . 2.34 917 747 A 42 GLU H A 41 GLU HGx 1.0 . 4.66 918 747 A 42 GLU H A 41 GLU HGy 1.0 . 4.66 919 748 A 42 GLU H A 42 GLU HBx 1.0 . 3.37 920 748 A 42 GLU H A 42 GLU HBy 1.0 . 3.37 921 749 A 42 GLU HA A 45 ARG HDx 1.0 . 4.08 922 749 A 42 GLU HA A 45 ARG HDy 1.0 . 4.08 923 750 A 43 PHE H A 42 GLU HBx 1.0 . 4.44 924 750 A 43 PHE H A 42 GLU HBy 1.0 . 4.44 925 751 A 43 PHE HA A 42 GLU HBx 1.0 . 4.47 926 751 A 43 PHE HA A 42 GLU HBy 1.0 . 4.47 927 752 A 43 PHE H A 46 ARG HBx 1.0 . 5.34 928 752 A 43 PHE H A 46 ARG HBy 1.0 . 5.34 929 753 A 43 PHE HA A 46 ARG HBx 1.0 . 4.55 930 753 A 43 PHE HA A 46 ARG HBy 1.0 . 4.55 931 754 A 43 PHE HA A 47 LEU HBx 1.0 . 5.29 932 754 A 43 PHE HA A 47 LEU HBy 1.0 . 5.29 933 755 A 43 PHE HA A 47 LEU HDx% 1.0 . 4.96 934 755 A 43 PHE HA A 47 LEU HDy% 1.0 . 4.96 935 756 A 44 HIS H A 44 HIS HBy 1.0 . 3.31 936 756 A 44 HIS H A 44 HIS HBx 1.0 . 3.31 937 757 A 44 HIS HA A 47 LEU HBx 1.0 . 3.78 938 757 A 44 HIS HA A 47 LEU HBy 1.0 . 3.78 939 758 A 44 HIS HA A 47 LEU HDx% 1.0 . 4.13 940 758 A 44 HIS HA A 47 LEU HDy% 1.0 . 4.13 941 759 A 44 HIS HD2 A 44 HIS HBy 1.0 . 3.42 942 759 A 44 HIS HD2 A 44 HIS HBx 1.0 . 3.42 943 760 A 45 ARG H A 44 HIS HBy 1.0 . 4.09 944 760 A 45 ARG H A 44 HIS HBx 1.0 . 4.09 945 761 A 45 ARG HA A 44 HIS HBy 1.0 . 4.51 946 761 A 45 ARG HA A 44 HIS HBx 1.0 . 4.51 947 762 A 45 ARG H A 45 ARG HDx 1.0 . 5.00 948 762 A 45 ARG H A 45 ARG HDy 1.0 . 5.00 949 763 A 45 ARG HA A 45 ARG HGy 1.0 . 3.69 950 763 A 45 ARG HA A 45 ARG HGx 1.0 . 3.69 951 764 A 45 ARG HA A 45 ARG HDx 1.0 . 4.04 952 764 A 45 ARG HA A 45 ARG HDy 1.0 . 4.04 953 765 A 46 ARG H A 45 ARG HGy 1.0 . 3.77 954 765 A 46 ARG H A 45 ARG HGx 1.0 . 3.77 955 766 A 46 ARG HA A 45 ARG HGy 1.0 . 4.08 956 766 A 46 ARG HA A 45 ARG HGx 1.0 . 4.08 957 767 A 46 ARG H A 46 ARG HBx 1.0 . 3.62 958 767 A 46 ARG H A 46 ARG HBy 1.0 . 3.62 959 768 A 46 ARG H A 49 VAL HGy% 1.0 . 4.23 960 768 A 46 ARG H A 49 VAL HGx% 1.0 . 4.23 961 769 A 46 ARG HA A 49 VAL HGy% 1.0 . 3.90 962 769 A 46 ARG HA A 49 VAL HGx% 1.0 . 3.90 963 770 A 47 LEU H A 46 ARG HBx 1.0 . 4.20 964 770 A 47 LEU H A 46 ARG HBy 1.0 . 4.20 965 771 A 47 LEU H A 47 LEU HBx 1.0 . 3.63 966 771 A 47 LEU H A 47 LEU HBy 1.0 . 3.63 967 772 A 47 LEU H A 47 LEU HDx% 1.0 . 4.17 968 772 A 47 LEU H A 47 LEU HDy% 1.0 . 4.17 969 773 A 48 LYS H A 47 LEU HBx 1.0 . 4.14 970 773 A 48 LYS H A 47 LEU HBy 1.0 . 4.14 971 774 A 48 LYS HA A 47 LEU HBx 1.0 . 4.83 972 774 A 48 LYS HA A 47 LEU HBy 1.0 . 4.83 973 775 A 48 LYS H A 47 LEU HDx% 1.0 . 4.42 974 775 A 48 LYS H A 47 LEU HDy% 1.0 . 4.42 975 776 A 48 LYS H A 48 LYS HBy 1.0 . 3.49 976 776 A 48 LYS H A 48 LYS HBx 1.0 . 3.49 977 777 A 48 LYS H A 48 LYS HGx 1.0 . 4.51 978 777 A 48 LYS H A 48 LYS HGy 1.0 . 4.51 979 778 A 48 LYS H A 49 VAL HGy% 1.0 . 4.31 980 778 A 48 LYS H A 49 VAL HGx% 1.0 . 4.31 981 779 A 49 VAL H A 48 LYS HBy 1.0 . 4.30 982 779 A 49 VAL H A 48 LYS HBx 1.0 . 4.30 983 780 A 49 VAL H A 48 LYS HGx 1.0 . 4.83 984 780 A 49 VAL H A 48 LYS HGy 1.0 . 4.83 985 781 A 49 VAL H A 49 VAL HGy% 1.0 . 3.24 986 781 A 49 VAL H A 49 VAL HGx% 1.0 . 3.24 987 782 A 50 TYR H A 49 VAL HGy% 1.0 . 3.77 988 782 A 50 TYR H A 49 VAL HGx% 1.0 . 3.77 989 783 A 52 ALA H A 49 VAL HGy% 1.0 . 5.44 990 783 A 52 ALA H A 49 VAL HGx% 1.0 . 5.44 991 784 A 52 ALA HB% A 49 VAL HGy% 1.0 . 4.41 992 784 A 52 ALA HB% A 49 VAL HGx% 1.0 . 4.41 993 785 A 53 TRP H A 49 VAL HGy% 1.0 . 5.44 994 785 A 53 TRP H A 49 VAL HGx% 1.0 . 5.44 995 786 A 53 TRP H A 53 TRP HBy 1.0 . 3.65 996 786 A 53 TRP H A 53 TRP HBx 1.0 . 3.65 997 787 A 53 TRP HD1 A 53 TRP HBy 1.0 . 3.39 998 787 A 53 TRP HD1 A 53 TRP HBx 1.0 . 3.39 999 788 A 54 LYS H A 53 TRP HBy 1.0 . 3.95 1000 788 A 54 LYS H A 53 TRP HBx 1.0 . 3.95 1001 789 A 54 LYS H A 54 LYS HBy 1.0 . 3.38 1002 789 A 54 LYS H A 54 LYS HBx 1.0 . 3.38 1003 790 A 55 SER H A 54 LYS HDx 1.0 . 4.07 1004 790 A 55 SER H A 54 LYS HDy 1.0 . 4.07 1005 791 A 56 LYS H A 56 LYS HBx 1.0 . 3.43 1006 791 A 56 LYS H A 56 LYS HBy 1.0 . 3.43 1007 792 A 56 LYS HA A 56 LYS HBx 1.0 . 2.50 1008 792 A 56 LYS HA A 56 LYS HBy 1.0 . 2.50 1009 793 A 56 LYS HBx A 56 LYS HEx 1.0 . 3.26 1010 793 A 56 LYS HBy A 56 LYS HEx 1.0 . 3.26 1011 793 A 56 LYS HEy A 56 LYS HBx 1.0 . 3.26 1012 793 A 56 LYS HEy A 56 LYS HBy 1.0 . 3.26 1013 794 A 57 ASN H A 56 LYS HBx 1.0 . 4.46 1014 794 A 56 LYS HBy A 57 ASN H 1.0 . 4.46 1015 795 A 57 ASN HA A 57 ASN HBx 1.0 . 2.62 1016 795 A 57 ASN HA A 57 ASN HBy 1.0 . 2.62 1017 796 A 58 LYS H A 58 LYS HBy 1.0 . 3.38 1018 796 A 58 LYS H A 58 LYS HBx 1.0 . 3.38 1019 797 A 59 LYS H A 58 LYS HBy 1.0 . 4.09 1020 797 A 59 LYS H A 58 LYS HBx 1.0 . 4.09 1021 798 A 59 LYS H A 59 LYS HBx 1.0 . 3.13 1022 798 A 59 LYS H A 59 LYS HBy 1.0 . 3.13 1023 799 A 60 ARG H A 59 LYS HBx 1.0 . 4.05 1024 799 A 60 ARG H A 59 LYS HBy 1.0 . 4.05 1025 800 A 60 ARG H A 60 ARG HBx 1.0 . 2.98 1026 800 A 60 ARG H A 60 ARG HBy 1.0 . 2.98 1027 801 A 60 ARG HA A 60 ARG HBx 1.0 . 2.56 1028 801 A 60 ARG HA A 60 ARG HBy 1.0 . 2.56 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _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 47 LEU H A 43 PHE O 1.0 . 2.0 38 38 A 43 PHE O A 47 LEU N 1.0 . 3.0 39 39 A 48 LYS H A 44 HIS O 1.0 . 2.0 40 40 A 44 HIS O A 48 LYS N 1.0 . 3.0 41 41 A 49 VAL H A 45 ARG O 1.0 . 2.0 42 42 A 45 ARG O A 49 VAL N 1.0 . 3.0 43 43 A 50 TYR H A 46 ARG O 1.0 . 2.0 44 44 A 46 ARG O A 50 TYR N 1.0 . 3.0 45 45 A 51 HIS H A 47 LEU O 1.0 . 2.0 46 46 A 47 LEU O A 51 HIS N 1.0 . 3.0 47 47 A 52 ALA H A 48 LYS O 1.0 . 2.0 48 48 A 48 LYS O A 52 ALA N 1.0 . 3.0 49 49 A 53 TRP H A 49 VAL O 1.0 . 2.0 50 50 A 49 VAL O A 53 TRP N 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_4 _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 55 55 A 47 LEU C A 48 LYS N A 48 LYS CA A 48 LYS C 1.0 -79.3 -42.0 PHI 56 56 A 48 LYS N A 48 LYS CA A 48 LYS C A 49 VAL N 1.0 -53.1 -25.2 PSI 57 57 A 48 LYS C A 49 VAL N A 49 VAL CA A 49 VAL C 1.0 -82.4 -49.9 PHI 58 58 A 49 VAL N A 49 VAL CA A 49 VAL C A 50 TYR N 1.0 -65.2 -17.7 PSI 59 59 A 49 VAL C A 50 TYR N A 50 TYR CA A 50 TYR C 1.0 -77.4 -51.7 PHI 60 60 A 50 TYR N A 50 TYR CA A 50 TYR C A 51 HIS N 1.0 -59.4 -23.5 PSI 61 61 A 50 TYR C A 51 HIS N A 51 HIS CA A 51 HIS C 1.0 -102.7 -44.3 PHI 62 62 A 51 HIS N A 51 HIS CA A 51 HIS C A 52 ALA N 1.0 -64.6 -1.3 PSI 63 63 A 52 ALA C A 53 TRP N A 53 TRP CA A 53 TRP C 1.0 -83.0 -47.6 PHI 64 64 A 53 TRP N A 53 TRP CA A 53 TRP C A 54 LYS N 1.0 -75.2 15.1 PSI stop_ save_