data_nef_c30210_5u9b 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 30207 BMRB 30208 PDB 5U9B stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 19 CYS SG 3 1 ZN ZN 1 27 CYS SG 3 1 ZN ZN 1 34 CYS SG 3 1 ZN ZN 1 38 HIS NE2 3 1 ZN ZN 1 53 CYS SG 3 2 ZN ZN 1 61 CYS SG 3 2 ZN ZN 1 66 CYS SG 3 2 ZN ZN 1 70 HIS NE2 3 2 ZN ZN stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 ALA middle . . 3 A 3 VAL middle . . 4 A 4 SER middle . . 5 A 5 VAL middle . . 6 A 6 THR middle . . 7 A 7 PRO middle . false 8 A 8 ILE middle . . 9 A 9 ARG middle . . 10 A 10 ASP middle . . 11 A 11 THR middle . . 12 A 12 LYS middle . . 13 A 13 TRP middle . . 14 A 14 LEU middle . . 15 A 15 THR middle . . 16 A 16 LEU middle . . 17 A 17 GLU middle . . 18 A 18 VAL middle . . 19 A 19 CYS middle -HG . 20 A 20 ARG middle . . 21 A 21 GLU middle . . 22 A 22 PHE middle . . 23 A 23 GLN middle . . 24 A 24 ARG middle . . 25 A 25 GLY middle . false 26 A 26 THR middle . . 27 A 27 CYS middle -HG . 28 A 28 SER middle . . 29 A 29 ARG middle . . 30 A 30 PRO middle . false 31 A 31 ASP middle . . 32 A 32 THR middle . . 33 A 33 GLU middle . . 34 A 34 CYS middle -HG . 35 A 35 LYS middle . . 36 A 36 PHE middle . . 37 A 37 ALA middle . . 38 A 38 HIS middle -HE2 . 39 A 39 PRO middle . false 40 A 40 SER middle . . 41 A 41 LYS middle . . 42 A 42 SER middle . . 43 A 43 CYS middle . . 44 A 44 GLN middle . . 45 A 45 VAL middle . . 46 A 46 GLU middle . . 47 A 47 ASN middle . . 48 A 48 GLY middle . false 49 A 49 ARG middle . . 50 A 50 VAL middle . . 51 A 51 ILE middle . . 52 A 52 ALA middle . . 53 A 53 CYS middle -HG . 54 A 54 PHE middle . . 55 A 55 ASP middle . . 56 A 56 SER middle . . 57 A 57 LEU middle . . 58 A 58 LYS middle . . 59 A 59 GLY middle . false 60 A 60 ARG middle . . 61 A 61 CYS middle -HG . 62 A 62 SER middle . . 63 A 63 ARG middle . . 64 A 64 GLU middle . . 65 A 65 ASN middle . . 66 A 66 CYS middle -HG . 67 A 67 LYS middle . . 68 A 68 TYR middle . . 69 A 69 LEU middle . . 70 A 70 HIS middle -HE2 . 71 A 71 PRO middle . false 72 A 72 PRO middle . false 73 A 73 PRO middle . false 74 A 74 HIS middle . . 75 A 75 LEU middle . . 76 A 76 LYS middle . . 77 A 77 THR middle . . 78 A 78 GLN middle . . 79 A 79 LEU middle . . 80 A 80 GLU middle . . 81 A 81 ILE middle . . 82 A 82 ASN middle . . 83 A 83 GLY middle . false 84 A 84 ARG middle . . 85 A 85 ASN middle . . 86 A 86 ASN middle . . 87 A 87 LEU middle . . 88 A 88 ILE middle . . 89 A 89 GLN middle . . 90 A 90 GLN middle . . 91 A 91 LYS middle . . 92 A 92 ASN end . . 93 B 95 G start . . 94 B 96 U middle . . 95 B 97 C middle . . 96 B 98 U middle . . 97 B 99 C middle . . 98 B 100 G middle . . 99 B 101 C middle . . 100 B 102 U middle . . 101 B 103 U middle . . 102 B 104 U middle . . 103 B 105 U middle . . 104 B 106 C middle . . 105 B 107 C middle . . 106 B 108 C middle . . 107 B 109 C end . . 108 C 1 ZN . . . 109 C 2 ZN . . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 ALA HA H 1 4.017 0.01 A 2 ALA HB% H 1 1.385 0.01 A 2 ALA CA C 13 51.619 0.01 A 2 ALA CB C 13 19.477 0.01 A 3 VAL HA H 1 4.050 0.01 A 3 VAL HB H 1 1.941 0.01 A 3 VAL HGx% H 1 0.809 0.01 A 3 VAL HGy% H 1 0.769 0.01 A 3 VAL CA C 13 62.293 0.01 A 3 VAL CB C 13 32.893 0.01 A 3 VAL CGx C 13 20.525 0.01 A 3 VAL CGy C 13 21.220 0.01 A 4 SER H H 1 8.416 0.01 A 4 SER HA H 1 4.391 0.01 A 4 SER HBx H 1 3.690 0.01 A 4 SER CA C 13 57.930 0.01 A 4 SER CB C 13 63.827 0.01 A 4 SER N N 15 120.025 0.01 A 5 VAL H H 1 8.237 0.01 A 5 VAL HA H 1 4.081 0.01 A 5 VAL HB H 1 1.942 0.01 A 5 VAL HGx% H 1 0.777 0.01 A 5 VAL HGy% H 1 0.809 0.01 A 5 VAL CA C 13 62.008 0.01 A 5 VAL CB C 13 32.895 0.01 A 5 VAL CGx C 13 20.343 0.01 A 5 VAL CGy C 13 21.174 0.01 A 5 VAL N N 15 122.043 0.01 A 6 THR H H 1 8.189 0.01 A 6 THR HA H 1 4.444 0.01 A 6 THR HB H 1 3.962 0.01 A 6 THR HG2% H 1 1.096 0.01 A 6 THR CA C 13 59.728 0.01 A 6 THR CB C 13 69.691 0.01 A 6 THR CG2 C 13 21.530 0.01 A 6 THR N N 15 120.978 0.01 A 7 PRO HA H 1 4.287 0.01 A 7 PRO HBy H 1 2.129 0.01 A 7 PRO HBx H 1 1.723 0.01 A 7 PRO HDy H 1 3.726 0.01 A 7 PRO HDx H 1 3.574 0.01 A 7 PRO HGy H 1 1.878 0.01 A 7 PRO HGx H 1 1.833 0.01 A 7 PRO CA C 13 63.091 0.01 A 7 PRO CB C 13 62.264 0.01 A 7 PRO CD C 13 51.227 0.01 A 7 PRO CG C 13 27.453 0.01 A 8 ILE H H 1 8.169 0.01 A 8 ILE HA H 1 3.951 0.01 A 8 ILE HB H 1 1.682 0.01 A 8 ILE HD1% H 1 0.722 0.01 A 8 ILE HG1x H 1 1.059 0.01 A 8 ILE HG1y H 1 1.315 0.01 A 8 ILE HG2% H 1 0.767 0.01 A 8 ILE CA C 13 61.115 0.01 A 8 ILE CB C 13 38.711 0.01 A 8 ILE CD1 C 13 12.898 0.01 A 8 ILE CG1 C 13 27.444 0.01 A 8 ILE CG2 C 13 17.594 0.01 A 8 ILE N N 15 121.700 0.01 A 9 ARG H H 1 8.328 0.01 A 9 ARG HA H 1 4.193 0.01 A 9 ARG HBx H 1 1.500 0.01 A 9 ARG HDx H 1 2.869 0.01 A 9 ARG HE H 1 7.249 0.01 A 9 ARG HGx H 1 1.328 0.01 A 9 ARG CA C 13 55.483 0.01 A 9 ARG CB C 13 31.075 0.01 A 9 ARG CD C 13 43.441 0.01 A 9 ARG CG C 13 27.216 0.01 A 9 ARG N N 15 126.017 0.01 A 9 ARG NE N 15 84.434 0.01 A 10 ASP H H 1 8.603 0.01 A 10 ASP HA H 1 4.701 0.01 A 10 ASP HBy H 1 2.831 0.01 A 10 ASP HBx H 1 2.674 0.01 A 10 ASP CA C 13 54.173 0.01 A 10 ASP CB C 13 42.650 0.01 A 10 ASP N N 15 122.918 0.01 A 11 THR H H 1 8.312 0.01 A 11 THR HA H 1 4.274 0.01 A 11 THR HB H 1 4.055 0.01 A 11 THR HG2% H 1 1.103 0.01 A 11 THR CA C 13 61.733 0.01 A 11 THR CB C 13 69.909 0.01 A 11 THR CG2 C 13 21.919 0.01 A 11 THR N N 15 115.388 0.01 A 12 LYS H H 1 8.393 0.01 A 12 LYS HA H 1 3.815 0.01 A 12 LYS HBy H 1 2.023 0.01 A 12 LYS HBx H 1 1.846 0.01 A 12 LYS HDx H 1 1.617 0.01 A 12 LYS HEx H 1 2.873 0.01 A 12 LYS HGy H 1 1.453 0.01 A 12 LYS HGx H 1 1.351 0.01 A 12 LYS CA C 13 60.435 0.01 A 12 LYS CB C 13 31.503 0.01 A 12 LYS CD C 13 28.898 0.01 A 12 LYS CE C 13 41.799 0.01 A 12 LYS CG C 13 25.100 0.01 A 12 LYS N N 15 125.034 0.01 A 13 TRP H H 1 8.236 0.01 A 13 TRP HA H 1 4.329 0.01 A 13 TRP HBy H 1 3.269 0.01 A 13 TRP HBx H 1 2.917 0.01 A 13 TRP HD1 H 1 7.265 0.01 A 13 TRP HE1 H 1 9.786 0.01 A 13 TRP HE3 H 1 7.420 0.01 A 13 TRP HH2 H 1 6.896 0.01 A 13 TRP HZ2 H 1 6.754 0.01 A 13 TRP HZ3 H 1 6.597 0.01 A 13 TRP CA C 13 59.019 0.01 A 13 TRP CB C 13 26.897 0.01 A 13 TRP CD1 C 13 127.122 0.01 A 13 TRP CD2 C 13 122.652 0.01 A 13 TRP CE3 C 13 122.282 0.01 A 13 TRP CH2 C 13 123.436 0.01 A 13 TRP CZ2 C 13 112.696 0.01 A 13 TRP CZ3 C 13 121.558 0.01 A 13 TRP NE1 N 15 130.121 0.01 A 14 LEU H H 1 6.202 0.01 A 14 LEU HA H 1 3.674 0.01 A 14 LEU HBy H 1 1.299 0.01 A 14 LEU HBx H 1 0.663 0.01 A 14 LEU HDx% H 1 -0.054 0.01 A 14 LEU HDy% H 1 -0.265 0.01 A 14 LEU HG H 1 -0.937 0.01 A 14 LEU CA C 13 53.820 0.01 A 14 LEU CB C 13 42.928 0.01 A 14 LEU CDy C 13 24.710 0.01 A 14 LEU CDx C 13 22.520 0.01 A 14 LEU CG C 13 25.685 0.01 A 14 LEU N N 15 118.370 0.01 A 15 THR H H 1 7.380 0.01 A 15 THR HA H 1 4.828 0.01 A 15 THR HB H 1 3.912 0.01 A 15 THR HG2% H 1 0.953 0.01 A 15 THR CA C 13 62.040 0.01 A 15 THR CB C 13 70.881 0.01 A 15 THR CG2 C 13 21.731 0.01 A 15 THR N N 15 112.240 0.01 A 16 LEU H H 1 8.826 0.01 A 16 LEU HA H 1 4.653 0.01 A 16 LEU HBy H 1 1.374 0.01 A 16 LEU HBx H 1 1.189 0.01 A 16 LEU HDx% H 1 0.561 0.01 A 16 LEU HDy% H 1 0.776 0.01 A 16 LEU HG H 1 1.341 0.01 A 16 LEU CA C 13 53.136 0.01 A 16 LEU CB C 13 46.932 0.01 A 16 LEU CDy C 13 27.586 0.01 A 16 LEU CDx C 13 24.182 0.01 A 16 LEU CG C 13 26.950 0.01 A 16 LEU N N 15 123.829 0.01 A 17 GLU H H 1 8.951 0.01 A 17 GLU HA H 1 4.299 0.01 A 17 GLU HBx H 1 1.995 0.01 A 17 GLU HGx H 1 2.243 0.01 A 17 GLU CA C 13 56.819 0.01 A 17 GLU CB C 13 30.814 0.01 A 17 GLU CG C 13 36.399 0.01 A 17 GLU N N 15 121.574 0.01 A 18 VAL H H 1 8.213 0.01 A 18 VAL HA H 1 3.854 0.01 A 18 VAL HB H 1 1.576 0.01 A 18 VAL HGx% H 1 0.796 0.01 A 18 VAL HGy% H 1 0.694 0.01 A 18 VAL CA C 13 62.350 0.01 A 18 VAL CB C 13 32.622 0.01 A 18 VAL CGx C 13 21.586 0.01 A 18 VAL CGy C 13 23.879 0.01 A 18 VAL N N 15 123.708 0.01 A 19 CYS H H 1 9.224 0.01 A 19 CYS HBy H 1 3.194 0.01 A 19 CYS HBx H 1 3.071 0.01 A 19 CYS CB C 13 30.996 0.01 A 19 CYS N N 15 129.577 0.01 A 20 ARG HA H 1 4.593 0.01 A 20 ARG HBx H 1 1.666 0.01 A 20 ARG HDx H 1 3.036 0.01 A 20 ARG HE H 1 7.143 0.01 A 20 ARG HGx H 1 1.439 0.01 A 20 ARG CA C 13 54.129 0.01 A 20 ARG CB C 13 28.858 0.01 A 20 ARG CD C 13 43.724 0.01 A 20 ARG CG C 13 27.136 0.01 A 20 ARG NE N 15 84.277 0.01 A 21 GLU HA H 1 3.793 0.01 A 21 GLU HBx H 1 1.812 0.01 A 21 GLU HGx H 1 2.168 0.01 A 21 GLU CA C 13 59.751 0.01 A 21 GLU CB C 13 28.631 0.01 A 21 GLU CG C 13 37.353 0.01 A 22 PHE H H 1 9.818 0.01 A 22 PHE HA H 1 3.949 0.01 A 22 PHE HBy H 1 3.041 0.01 A 22 PHE HBx H 1 2.821 0.01 A 22 PHE HDx H 1 6.659 0.01 A 22 PHE HEx H 1 7.105 0.01 A 22 PHE HZ H 1 7.223 0.01 A 22 PHE CA C 13 60.705 0.01 A 22 PHE CB C 13 38.730 0.01 A 22 PHE CDx C 13 130.871 0.01 A 22 PHE CEx C 13 131.569 0.01 A 22 PHE CZ C 13 130.634 0.01 A 22 PHE N N 15 128.400 0.01 A 23 GLN H H 1 7.809 0.01 A 23 GLN HA H 1 3.813 0.01 A 23 GLN HBx H 1 1.938 0.01 A 23 GLN HE2x H 1 6.704 0.01 A 23 GLN HE2y H 1 7.487 0.01 A 23 GLN HGy H 1 2.507 0.01 A 23 GLN HGx H 1 2.196 0.01 A 23 GLN CA C 13 58.843 0.01 A 23 GLN CB C 13 29.757 0.01 A 23 GLN CG C 13 35.148 0.01 A 23 GLN N N 15 117.500 0.01 A 23 GLN NE2 N 15 110.907 0.01 A 24 ARG H H 1 7.279 0.01 A 24 ARG HA H 1 4.246 0.01 A 24 ARG HBx H 1 1.774 0.01 A 24 ARG HDx H 1 3.026 0.01 A 24 ARG HGx H 1 1.618 0.01 A 24 ARG CA C 13 55.802 0.01 A 24 ARG CB C 13 31.077 0.01 A 24 ARG CD C 13 43.686 0.01 A 24 ARG CG C 13 27.365 0.01 A 24 ARG N N 15 115.693 0.01 A 25 GLY H H 1 7.658 0.01 A 25 GLY HAx H 1 3.601 0.01 A 25 GLY HAy H 1 3.915 0.01 A 25 GLY CA C 13 45.750 0.01 A 25 GLY N N 15 108.586 0.01 A 26 THR H H 1 8.161 0.01 A 26 THR HA H 1 4.340 0.01 A 26 THR HB H 1 4.365 0.01 A 26 THR HG2% H 1 0.843 0.01 A 26 THR CA C 13 60.809 0.01 A 26 THR CB C 13 69.115 0.01 A 26 THR CG2 C 13 21.134 0.01 A 26 THR N N 15 109.213 0.01 A 27 CYS H H 1 7.741 0.01 A 27 CYS HA H 1 4.004 0.01 A 27 CYS HBy H 1 2.853 0.01 A 27 CYS HBx H 1 2.648 0.01 A 27 CYS CA C 13 60.866 0.01 A 27 CYS CB C 13 29.341 0.01 A 27 CYS N N 15 124.504 0.01 A 28 SER HA H 1 4.428 0.01 A 28 SER HBy H 1 3.955 0.01 A 28 SER HBx H 1 3.776 0.01 A 28 SER CA C 13 58.453 0.01 A 28 SER CB C 13 63.609 0.01 A 29 ARG H H 1 8.880 0.01 A 29 ARG HA H 1 4.542 0.01 A 29 ARG HBx H 1 1.771 0.01 A 29 ARG HDy H 1 3.109 0.01 A 29 ARG HDx H 1 2.878 0.01 A 29 ARG HE H 1 7.323 0.01 A 29 ARG HGx H 1 1.552 0.01 A 29 ARG CA C 13 54.403 0.01 A 29 ARG CB C 13 27.752 0.01 A 29 ARG CD C 13 43.995 0.01 A 29 ARG CG C 13 27.245 0.01 A 29 ARG N N 15 124.971 0.01 A 29 ARG NE N 15 84.016 0.01 A 30 PRO HA H 1 4.581 0.01 A 30 PRO HBy H 1 2.334 0.01 A 30 PRO HBx H 1 1.766 0.01 A 30 PRO HDy H 1 3.782 0.01 A 30 PRO HDx H 1 3.465 0.01 A 30 PRO HGx H 1 1.932 0.01 A 30 PRO CA C 13 62.264 0.01 A 30 PRO CB C 13 62.563 0.01 A 30 PRO CD C 13 50.419 0.01 A 30 PRO CG C 13 27.524 0.01 A 31 ASP H H 1 9.035 0.01 A 31 ASP HA H 1 3.574 0.01 A 31 ASP HBx H 1 2.612 0.01 A 31 ASP CA C 13 56.632 0.01 A 31 ASP CB C 13 39.180 0.01 A 31 ASP N N 15 123.444 0.01 A 32 THR H H 1 7.156 0.01 A 32 THR HA H 1 3.793 0.01 A 32 THR HB H 1 4.275 0.01 A 32 THR HG2% H 1 1.226 0.01 A 32 THR CA C 13 62.712 0.01 A 32 THR CB C 13 68.740 0.01 A 32 THR CG2 C 13 22.961 0.01 A 32 THR N N 15 104.287 0.01 A 33 GLU H H 1 7.572 0.01 A 33 GLU HA H 1 3.960 0.01 A 33 GLU HBx H 1 1.553 0.01 A 33 GLU HBy H 1 1.652 0.01 A 33 GLU HGx H 1 1.952 0.01 A 33 GLU CA C 13 59.313 0.01 A 33 GLU CB C 13 33.045 0.01 A 33 GLU CG C 13 35.871 0.01 A 33 GLU N N 15 117.606 0.01 A 34 CYS H H 1 7.270 0.01 A 34 CYS HA H 1 4.042 0.01 A 34 CYS HBx H 1 2.130 0.01 A 34 CYS CA C 13 59.422 0.01 A 34 CYS CB C 13 29.655 0.01 A 34 CYS N N 15 122.345 0.01 A 35 LYS H H 1 8.101 0.01 A 35 LYS HA H 1 3.753 0.01 A 35 LYS HEx H 1 2.707 0.01 A 35 LYS HGx H 1 1.328 0.01 A 35 LYS CA C 13 57.724 0.01 A 35 LYS CE C 13 41.804 0.01 A 35 LYS CG C 13 28.927 0.01 A 35 LYS N N 15 125.133 0.01 A 36 PHE H H 1 8.220 0.01 A 36 PHE HA H 1 4.749 0.01 A 36 PHE HBy H 1 3.208 0.01 A 36 PHE HBx H 1 2.621 0.01 A 36 PHE HDx H 1 7.201 0.01 A 36 PHE HEx H 1 7.189 0.01 A 36 PHE CA C 13 55.417 0.01 A 36 PHE CB C 13 41.595 0.01 A 36 PHE CDx C 13 130.229 0.01 A 36 PHE CEx C 13 131.916 0.01 A 36 PHE N N 15 118.013 0.01 A 37 ALA H H 1 8.385 0.01 A 37 ALA HA H 1 3.881 0.01 A 37 ALA HB% H 1 0.982 0.01 A 37 ALA CA C 13 52.349 0.01 A 37 ALA CB C 13 21.350 0.01 A 37 ALA N N 15 117.082 0.01 A 38 HIS H H 1 9.672 0.01 A 38 HIS HA H 1 4.156 0.01 A 38 HIS HBy H 1 2.596 0.01 A 38 HIS HBx H 1 1.669 0.01 A 38 HIS HD2 H 1 6.414 0.01 A 38 HIS HE1 H 1 8.293 0.01 A 38 HIS CA C 13 51.434 0.01 A 38 HIS CB C 13 29.337 0.01 A 38 HIS CD2 C 13 124.042 0.01 A 38 HIS CE1 C 13 139.483 0.01 A 38 HIS N N 15 122.775 0.01 A 39 PRO HA H 1 4.087 0.01 A 39 PRO HBy H 1 2.043 0.01 A 39 PRO HBx H 1 1.877 0.01 A 39 PRO HDy H 1 3.579 0.01 A 39 PRO HDx H 1 3.330 0.01 A 39 PRO HGy H 1 2.034 0.01 A 39 PRO HGx H 1 1.476 0.01 A 39 PRO CA C 13 62.854 0.01 A 39 PRO CB C 13 62.597 0.01 A 39 PRO CD C 13 50.815 0.01 A 39 PRO CG C 13 27.929 0.01 A 40 SER H H 1 7.525 0.01 A 40 SER HA H 1 4.507 0.01 A 40 SER HBy H 1 4.159 0.01 A 40 SER HBx H 1 3.922 0.01 A 40 SER CA C 13 57.534 0.01 A 40 SER CB C 13 64.263 0.01 A 40 SER N N 15 116.428 0.01 A 41 LYS H H 1 8.737 0.01 A 41 LYS HA H 1 4.040 0.01 A 41 LYS HBx H 1 1.760 0.01 A 41 LYS HDx H 1 1.582 0.01 A 41 LYS HEx H 1 2.845 0.01 A 41 LYS HGx H 1 1.407 0.01 A 41 LYS CA C 13 58.659 0.01 A 41 LYS CB C 13 32.211 0.01 A 41 LYS CD C 13 28.951 0.01 A 41 LYS CE C 13 42.076 0.01 A 41 LYS CG C 13 24.882 0.01 A 41 LYS N N 15 120.603 0.01 A 42 SER H H 1 7.765 0.01 A 42 SER HA H 1 4.162 0.01 A 42 SER HBy H 1 3.645 0.01 A 42 SER HBx H 1 3.596 0.01 A 42 SER CA C 13 58.972 0.01 A 42 SER CB C 13 63.526 0.01 A 42 SER N N 15 111.455 0.01 A 43 CYS H H 1 7.244 0.01 A 43 CYS HA H 1 4.223 0.01 A 43 CYS HBy H 1 2.675 0.01 A 43 CYS HBx H 1 2.436 0.01 A 43 CYS CA C 13 59.835 0.01 A 43 CYS CB C 13 30.394 0.01 A 43 CYS N N 15 119.769 0.01 A 44 GLN H H 1 8.765 0.01 A 44 GLN HA H 1 4.234 0.01 A 44 GLN HBx H 1 1.915 0.01 A 44 GLN HGx H 1 2.140 0.01 A 44 GLN HGy H 1 2.216 0.01 A 44 GLN CA C 13 55.806 0.01 A 44 GLN CB C 13 29.389 0.01 A 44 GLN CG C 13 34.009 0.01 A 44 GLN N N 15 125.096 0.01 A 45 VAL H H 1 8.509 0.01 A 45 VAL HA H 1 4.383 0.01 A 45 VAL HB H 1 1.807 0.01 A 45 VAL HGx% H 1 0.680 0.01 A 45 VAL HGy% H 1 0.666 0.01 A 45 VAL CA C 13 61.469 0.01 A 45 VAL CB C 13 33.400 0.01 A 45 VAL CGy C 13 21.465 0.01 A 45 VAL CGx C 13 21.316 0.01 A 45 VAL N N 15 127.150 0.01 A 46 GLU H H 1 8.530 0.01 A 46 GLU HA H 1 4.538 0.01 A 46 GLU HBx H 1 1.828 0.01 A 46 GLU HGx H 1 2.013 0.01 A 46 GLU CA C 13 54.868 0.01 A 46 GLU CB C 13 32.177 0.01 A 46 GLU CG C 13 35.848 0.01 A 46 GLU N N 15 126.553 0.01 A 47 ASN H H 1 9.583 0.01 A 47 ASN HA H 1 4.226 0.01 A 47 ASN HBy H 1 2.897 0.01 A 47 ASN HBx H 1 2.574 0.01 A 47 ASN CA C 13 54.105 0.01 A 47 ASN CB C 13 37.616 0.01 A 47 ASN N N 15 125.594 0.01 A 48 GLY H H 1 8.550 0.01 A 48 GLY HAx H 1 3.377 0.01 A 48 GLY HAy H 1 3.915 0.01 A 48 GLY CA C 13 46.027 0.01 A 48 GLY N N 15 102.215 0.01 A 49 ARG H H 1 7.761 0.01 A 49 ARG HA H 1 5.161 0.01 A 49 ARG HBy H 1 1.650 0.01 A 49 ARG HBx H 1 1.534 0.01 A 49 ARG HDy H 1 3.027 0.01 A 49 ARG HDx H 1 2.905 0.01 A 49 ARG HGx H 1 1.311 0.01 A 49 ARG HGy H 1 1.545 0.01 A 49 ARG CA C 13 54.868 0.01 A 49 ARG CB C 13 34.298 0.01 A 49 ARG CD C 13 43.350 0.01 A 49 ARG CG C 13 27.877 0.01 A 49 ARG N N 15 119.561 0.01 A 50 VAL H H 1 8.891 0.01 A 50 VAL HA H 1 4.709 0.01 A 50 VAL HB H 1 1.719 0.01 A 50 VAL HGx% H 1 0.864 0.01 A 50 VAL HGy% H 1 0.650 0.01 A 50 VAL CA C 13 58.312 0.01 A 50 VAL CB C 13 35.923 0.01 A 50 VAL CGx C 13 21.650 0.01 A 50 VAL CGy C 13 22.155 0.01 A 50 VAL N N 15 117.657 0.01 A 51 ILE H H 1 8.212 0.01 A 51 ILE HA H 1 3.947 0.01 A 51 ILE HB H 1 1.261 0.01 A 51 ILE HD1% H 1 0.553 0.01 A 51 ILE HG1x H 1 0.696 0.01 A 51 ILE HG1y H 1 1.334 0.01 A 51 ILE HG2% H 1 0.017 0.01 A 51 ILE CA C 13 61.115 0.01 A 51 ILE CB C 13 39.144 0.01 A 51 ILE CD1 C 13 13.336 0.01 A 51 ILE CG1 C 13 28.556 0.01 A 51 ILE CG2 C 13 17.251 0.01 A 51 ILE N N 15 127.024 0.01 A 52 ALA H H 1 8.712 0.01 A 52 ALA HA H 1 4.475 0.01 A 52 ALA HB% H 1 0.926 0.01 A 52 ALA CA C 13 51.176 0.01 A 52 ALA CB C 13 20.820 0.01 A 52 ALA N N 15 127.663 0.01 A 53 CYS H H 1 8.609 0.01 A 53 CYS HA H 1 4.271 0.01 A 53 CYS HBy H 1 2.921 0.01 A 53 CYS HBx H 1 2.746 0.01 A 53 CYS CA C 13 58.356 0.01 A 53 CYS CB C 13 29.580 0.01 A 53 CYS N N 15 121.994 0.01 A 54 PHE H H 1 11.177 0.01 A 54 PHE HA H 1 3.576 0.01 A 54 PHE HBx H 1 2.497 0.01 A 54 PHE HDx H 1 6.978 0.01 A 54 PHE HEx H 1 7.168 0.01 A 54 PHE HZ H 1 7.305 0.01 A 54 PHE CA C 13 62.628 0.01 A 54 PHE CB C 13 37.600 0.01 A 54 PHE CDx C 13 131.900 0.01 A 54 PHE CEx C 13 131.502 0.01 A 54 PHE CZ C 13 130.034 0.01 A 54 PHE N N 15 104.604 0.01 A 55 ASP H H 1 9.065 0.01 A 55 ASP HA H 1 4.048 0.01 A 55 ASP HBx H 1 2.084 0.01 A 55 ASP HBy H 1 2.578 0.01 A 55 ASP CA C 13 57.998 0.01 A 55 ASP CB C 13 39.400 0.01 A 55 ASP N N 15 121.422 0.01 A 56 SER H H 1 9.339 0.01 A 56 SER HA H 1 3.924 0.01 A 56 SER HBy H 1 3.047 0.01 A 56 SER HBx H 1 2.950 0.01 A 56 SER CA C 13 61.677 0.01 A 56 SER CB C 13 61.425 0.01 A 56 SER N N 15 121.716 0.01 A 57 LEU H H 1 7.747 0.01 A 57 LEU HA H 1 3.694 0.01 A 57 LEU HBy H 1 1.566 0.01 A 57 LEU HBx H 1 1.258 0.01 A 57 LEU HDx% H 1 0.562 0.01 A 57 LEU HDy% H 1 0.602 0.01 A 57 LEU HG H 1 1.786 0.01 A 57 LEU CA C 13 57.707 0.01 A 57 LEU CB C 13 39.877 0.01 A 57 LEU CDx C 13 22.846 0.01 A 57 LEU CDy C 13 25.227 0.01 A 57 LEU CG C 13 26.338 0.01 A 57 LEU N N 15 125.288 0.01 A 58 LYS H H 1 6.870 0.01 A 58 LYS HA H 1 4.260 0.01 A 58 LYS HBx H 1 1.334 0.01 A 58 LYS HBy H 1 1.904 0.01 A 58 LYS HDx H 1 1.366 0.01 A 58 LYS HEx H 1 2.611 0.01 A 58 LYS HEy H 1 2.856 0.01 A 58 LYS HGx H 1 1.148 0.01 A 58 LYS CA C 13 53.187 0.01 A 58 LYS CB C 13 31.903 0.01 A 58 LYS CD C 13 27.646 0.01 A 58 LYS CE C 13 41.954 0.01 A 58 LYS CG C 13 24.230 0.01 A 58 LYS N N 15 113.723 0.01 A 59 GLY H H 1 7.553 0.01 A 59 GLY HAy H 1 3.808 0.01 A 59 GLY HAx H 1 3.740 0.01 A 59 GLY CA C 13 46.651 0.01 A 59 GLY N N 15 108.485 0.01 A 60 ARG H H 1 8.001 0.01 A 60 ARG HA H 1 4.537 0.01 A 60 ARG HBy H 1 1.681 0.01 A 60 ARG HBx H 1 1.601 0.01 A 60 ARG HDx H 1 3.012 0.01 A 60 ARG HE H 1 7.233 0.01 A 60 ARG HGy H 1 1.449 0.01 A 60 ARG HGx H 1 1.305 0.01 A 60 ARG CA C 13 54.549 0.01 A 60 ARG CB C 13 31.395 0.01 A 60 ARG CG C 13 26.578 0.01 A 60 ARG N N 15 115.874 0.01 A 60 ARG NE N 15 84.969 0.01 A 61 CYS H H 1 7.904 0.01 A 61 CYS HA H 1 4.444 0.01 A 61 CYS HBy H 1 2.671 0.01 A 61 CYS HBx H 1 2.307 0.01 A 61 CYS CA C 13 59.728 0.01 A 61 CYS CB C 13 29.737 0.01 A 61 CYS N N 15 123.318 0.01 A 62 SER H H 1 9.273 0.01 A 62 SER HA H 1 4.638 0.01 A 62 SER HBx H 1 3.644 0.01 A 62 SER HBy H 1 3.848 0.01 A 62 SER CA C 13 56.979 0.01 A 62 SER CB C 13 63.554 0.01 A 62 SER N N 15 126.266 0.01 A 63 ARG H H 1 7.842 0.01 A 63 ARG HA H 1 4.040 0.01 A 63 ARG HBx H 1 1.320 0.01 A 63 ARG HBy H 1 1.496 0.01 A 63 ARG HGx H 1 1.360 0.01 A 63 ARG CA C 13 56.541 0.01 A 63 ARG CB C 13 31.474 0.01 A 63 ARG CG C 13 26.702 0.01 A 63 ARG N N 15 123.408 0.01 A 64 GLU H H 1 8.883 0.01 A 64 GLU HA H 1 3.967 0.01 A 64 GLU HBx H 1 1.818 0.01 A 64 GLU HGy H 1 2.188 0.01 A 64 GLU HGx H 1 2.121 0.01 A 64 GLU CA C 13 57.871 0.01 A 64 GLU CB C 13 29.821 0.01 A 64 GLU CG C 13 36.019 0.01 A 64 GLU N N 15 124.375 0.01 A 65 ASN H H 1 8.349 0.01 A 65 ASN HA H 1 4.557 0.01 A 65 ASN HBy H 1 2.534 0.01 A 65 ASN HBx H 1 2.494 0.01 A 65 ASN HD2y H 1 7.540 0.01 A 65 ASN HD2x H 1 6.848 0.01 A 65 ASN CA C 13 52.020 0.01 A 65 ASN CB C 13 38.773 0.01 A 65 ASN N N 15 118.368 0.01 A 65 ASN ND2 N 15 113.601 0.01 A 66 CYS H H 1 7.905 0.01 A 66 CYS HA H 1 4.241 0.01 A 66 CYS HBx H 1 2.656 0.01 A 66 CYS CA C 13 59.466 0.01 A 66 CYS CB C 13 30.439 0.01 A 66 CYS N N 15 123.316 0.01 A 67 LYS H H 1 8.459 0.01 A 67 LYS HA H 1 4.352 0.01 A 67 LYS HBy H 1 1.397 0.01 A 67 LYS HBx H 1 1.333 0.01 A 67 LYS HDy H 1 1.282 0.01 A 67 LYS HDx H 1 1.171 0.01 A 67 LYS HEy H 1 2.512 0.01 A 67 LYS HEx H 1 2.405 0.01 A 67 LYS HGx H 1 0.387 0.01 A 67 LYS HGy H 1 0.791 0.01 A 67 LYS CA C 13 56.411 0.01 A 67 LYS CB C 13 33.008 0.01 A 67 LYS CD C 13 29.706 0.01 A 67 LYS CE C 13 41.631 0.01 A 67 LYS CG C 13 22.875 0.01 A 67 LYS N N 15 128.340 0.01 A 68 TYR H H 1 8.310 0.01 A 68 TYR HA H 1 5.194 0.01 A 68 TYR HBy H 1 2.993 0.01 A 68 TYR HBx H 1 2.373 0.01 A 68 TYR HDx H 1 6.701 0.01 A 68 TYR HEx H 1 5.975 0.01 A 68 TYR CA C 13 53.331 0.01 A 68 TYR CB C 13 40.246 0.01 A 68 TYR CDx C 13 131.325 0.01 A 68 TYR CEx C 13 116.543 0.01 A 68 TYR N N 15 123.116 0.01 A 69 LEU H H 1 8.963 0.01 A 69 LEU HA H 1 4.021 0.01 A 69 LEU HBy H 1 1.344 0.01 A 69 LEU HBx H 1 1.222 0.01 A 69 LEU HDx% H 1 0.604 0.01 A 69 LEU HDy% H 1 0.797 0.01 A 69 LEU HG H 1 1.034 0.01 A 69 LEU CA C 13 55.806 0.01 A 69 LEU CB C 13 44.412 0.01 A 69 LEU CDy C 13 27.699 0.01 A 69 LEU CDx C 13 24.325 0.01 A 69 LEU CG C 13 27.150 0.01 A 69 LEU N N 15 122.316 0.01 A 70 HIS H H 1 9.112 0.01 A 70 HIS HA H 1 5.342 0.01 A 70 HIS HBy H 1 3.174 0.01 A 70 HIS HBx H 1 2.896 0.01 A 70 HIS HD2 H 1 7.014 0.01 A 70 HIS HE1 H 1 7.777 0.01 A 70 HIS CA C 13 52.482 0.01 A 70 HIS CB C 13 27.258 0.01 A 70 HIS CD2 C 13 125.336 0.01 A 70 HIS CE1 C 13 138.311 0.01 A 70 HIS N N 15 130.191 0.01 A 71 PRO HA H 1 4.212 0.01 A 71 PRO HDy H 1 4.116 0.01 A 71 PRO HDx H 1 3.521 0.01 A 71 PRO HGx H 1 1.477 0.01 A 71 PRO CA C 13 60.926 0.01 A 71 PRO CD C 13 51.198 0.01 A 71 PRO CG C 13 27.142 0.01 A 72 PRO HA H 1 4.784 0.01 A 72 PRO HBy H 1 2.249 0.01 A 72 PRO HBx H 1 2.135 0.01 A 72 PRO HDx H 1 3.229 0.01 A 72 PRO HDy H 1 3.758 0.01 A 72 PRO HGy H 1 1.967 0.01 A 72 PRO HGx H 1 1.558 0.01 A 72 PRO CA C 13 61.448 0.01 A 72 PRO CB C 13 30.388 0.01 A 72 PRO CD C 13 50.897 0.01 A 72 PRO CG C 13 27.354 0.01 A 73 PRO HA H 1 3.964 0.01 A 73 PRO HBy H 1 2.334 0.01 A 73 PRO HBx H 1 1.954 0.01 A 73 PRO HDy H 1 3.826 0.01 A 73 PRO HDx H 1 3.682 0.01 A 73 PRO HGx H 1 1.929 0.01 A 73 PRO HGy H 1 1.951 0.01 A 73 PRO CA C 13 67.047 0.01 A 73 PRO CB C 13 62.563 0.01 A 73 PRO CD C 13 50.432 0.01 A 73 PRO CG C 13 27.676 0.01 A 74 HIS HA H 1 4.404 0.01 A 74 HIS HBx H 1 2.992 0.01 A 74 HIS HD2 H 1 6.679 0.01 A 74 HIS HE2 H 1 7.978 0.01 A 74 HIS CA C 13 59.050 0.01 A 74 HIS CB C 13 28.675 0.01 A 74 HIS CD2 C 13 117.399 0.01 A 74 HIS CE1 C 13 139.259 0.01 A 75 LEU H H 1 6.487 0.01 A 75 LEU HA H 1 3.985 0.01 A 75 LEU HBy H 1 1.192 0.01 A 75 LEU HBx H 1 1.011 0.01 A 75 LEU HDx% H 1 0.406 0.01 A 75 LEU HDy% H 1 0.347 0.01 A 75 LEU HG H 1 0.133 0.01 A 75 LEU CA C 13 56.001 0.01 A 75 LEU CB C 13 41.242 0.01 A 75 LEU CDy C 13 24.604 0.01 A 75 LEU CDx C 13 22.220 0.01 A 75 LEU N N 15 121.751 0.01 A 76 LYS H H 1 8.064 0.01 A 76 LYS HA H 1 3.568 0.01 A 76 LYS HBx H 1 1.831 0.01 A 76 LYS HDx H 1 1.540 0.01 A 76 LYS HEx H 1 2.769 0.01 A 76 LYS HEy H 1 2.880 0.01 A 76 LYS HGy H 1 1.246 0.01 A 76 LYS HGx H 1 1.038 0.01 A 76 LYS CA C 13 60.837 0.01 A 76 LYS CB C 13 31.958 0.01 A 76 LYS CD C 13 29.832 0.01 A 76 LYS CE C 13 41.863 0.01 A 76 LYS CG C 13 25.649 0.01 A 76 LYS N N 15 122.096 0.01 A 77 THR H H 1 7.894 0.01 A 77 THR HA H 1 3.833 0.01 A 77 THR HB H 1 4.011 0.01 A 77 THR HG2% H 1 1.141 0.01 A 77 THR CA C 13 66.495 0.01 A 77 THR CB C 13 68.814 0.01 A 77 THR CG2 C 13 22.049 0.01 A 77 THR N N 15 114.313 0.01 A 78 GLN H H 1 6.968 0.01 A 78 GLN HA H 1 3.835 0.01 A 78 GLN HBx H 1 2.037 0.01 A 78 GLN HGy H 1 2.237 0.01 A 78 GLN HGx H 1 2.180 0.01 A 78 GLN CA C 13 58.959 0.01 A 78 GLN CB C 13 29.128 0.01 A 78 GLN CG C 13 33.818 0.01 A 78 GLN N N 15 119.518 0.01 A 79 LEU H H 1 8.056 0.01 A 79 LEU HA H 1 4.167 0.01 A 79 LEU HBy H 1 2.001 0.01 A 79 LEU HBx H 1 1.363 0.01 A 79 LEU HDx% H 1 0.539 0.01 A 79 LEU HDy% H 1 0.721 0.01 A 79 LEU HG H 1 1.802 0.01 A 79 LEU CA C 13 58.280 0.01 A 79 LEU CB C 13 42.400 0.01 A 79 LEU CDy C 13 27.791 0.01 A 79 LEU CDx C 13 24.412 0.01 A 79 LEU CG C 13 26.844 0.01 A 79 LEU N N 15 119.568 0.01 A 80 GLU H H 1 8.144 0.01 A 80 GLU HA H 1 4.042 0.01 A 80 GLU HBy H 1 2.202 0.01 A 80 GLU HBx H 1 1.931 0.01 A 80 GLU HGy H 1 2.505 0.01 A 80 GLU HGx H 1 2.071 0.01 A 80 GLU CA C 13 59.422 0.01 A 80 GLU CB C 13 29.012 0.01 A 80 GLU CG C 13 36.352 0.01 A 80 GLU N N 15 118.557 0.01 A 81 ILE H H 1 8.069 0.01 A 81 ILE HA H 1 3.584 0.01 A 81 ILE HB H 1 1.832 0.01 A 81 ILE HD1% H 1 0.798 0.01 A 81 ILE HG1x H 1 0.987 0.01 A 81 ILE HG1y H 1 1.624 0.01 A 81 ILE HG2% H 1 0.694 0.01 A 81 ILE CA C 13 65.032 0.01 A 81 ILE CB C 13 38.257 0.01 A 81 ILE CD1 C 13 13.606 0.01 A 81 ILE CG1 C 13 29.090 0.01 A 81 ILE CG2 C 13 17.162 0.01 A 81 ILE N N 15 121.327 0.01 A 82 ASN H H 1 8.450 0.01 A 82 ASN HA H 1 4.439 0.01 A 82 ASN HBy H 1 3.243 0.01 A 82 ASN HBx H 1 2.948 0.01 A 82 ASN CA C 13 55.507 0.01 A 82 ASN CB C 13 37.823 0.01 A 82 ASN N N 15 120.010 0.01 A 83 GLY H H 1 8.994 0.01 A 83 GLY HAy H 1 3.274 0.01 A 83 GLY HAx H 1 3.116 0.01 A 83 GLY CA C 13 47.582 0.01 A 83 GLY N N 15 109.194 0.01 A 84 ARG H H 1 7.792 0.01 A 84 ARG HA H 1 3.874 0.01 A 84 ARG HBx H 1 1.766 0.01 A 84 ARG HDx H 1 2.984 0.01 A 84 ARG HDy H 1 3.029 0.01 A 84 ARG HGx H 1 1.575 0.01 A 84 ARG CA C 13 58.410 0.01 A 84 ARG CB C 13 29.789 0.01 A 84 ARG CD C 13 43.394 0.01 A 84 ARG CG C 13 27.592 0.01 A 84 ARG N N 15 122.607 0.01 A 85 ASN H H 1 8.072 0.01 A 85 ASN HA H 1 4.428 0.01 A 85 ASN HBx H 1 2.734 0.01 A 85 ASN CA C 13 54.868 0.01 A 85 ASN CB C 13 38.041 0.01 A 85 ASN N N 15 118.095 0.01 A 86 ASN H H 1 7.703 0.01 A 86 ASN HA H 1 4.425 0.01 A 86 ASN HBy H 1 2.648 0.01 A 86 ASN HBx H 1 2.605 0.01 A 86 ASN CA C 13 54.648 0.01 A 86 ASN CB C 13 38.974 0.01 A 86 ASN N N 15 117.520 0.01 A 87 LEU H H 1 7.351 0.01 A 87 LEU HA H 1 4.017 0.01 A 87 LEU HBy H 1 1.566 0.01 A 87 LEU HBx H 1 1.321 0.01 A 87 LEU HDx% H 1 0.544 0.01 A 87 LEU HDy% H 1 0.480 0.01 A 87 LEU CA C 13 55.444 0.01 A 87 LEU CB C 13 42.099 0.01 A 87 LEU CDy C 13 25.264 0.01 A 87 LEU CDx C 13 22.849 0.01 A 87 LEU N N 15 118.648 0.01 A 88 ILE H H 1 7.614 0.01 A 88 ILE HA H 1 3.879 0.01 A 88 ILE HB H 1 1.756 0.01 A 88 ILE HD1% H 1 0.707 0.01 A 88 ILE HG1y H 1 1.365 0.01 A 88 ILE HG1x H 1 1.058 0.01 A 88 ILE HG2% H 1 0.744 0.01 A 88 ILE CA C 13 62.050 0.01 A 88 ILE CB C 13 38.495 0.01 A 88 ILE CD1 C 13 13.027 0.01 A 88 ILE CG1 C 13 27.704 0.01 A 88 ILE CG2 C 13 17.518 0.01 A 88 ILE N N 15 119.320 0.01 A 89 GLN H H 1 8.062 0.01 A 89 GLN HA H 1 4.150 0.01 A 89 GLN HBx H 1 1.865 0.01 A 89 GLN HBy H 1 1.945 0.01 A 89 GLN HGx H 1 2.241 0.01 A 89 GLN CA C 13 55.975 0.01 A 89 GLN CB C 13 29.109 0.01 A 89 GLN CG C 13 33.722 0.01 A 89 GLN N N 15 122.180 0.01 A 90 GLN H H 1 8.116 0.01 A 90 GLN HA H 1 4.640 0.01 A 90 GLN HBx H 1 1.916 0.01 A 90 GLN HGy H 1 2.237 0.01 A 90 GLN HGx H 1 1.910 0.01 A 90 GLN CA C 13 62.583 0.01 A 90 GLN CG C 13 34.633 0.01 A 90 GLN N N 15 120.869 0.01 A 91 LYS H H 1 8.141 0.01 A 91 LYS HA H 1 4.204 0.01 A 91 LYS HBy H 1 1.734 0.01 A 91 LYS HBx H 1 1.613 0.01 A 91 LYS HDx H 1 1.540 0.01 A 91 LYS HEx H 1 2.868 0.01 A 91 LYS HGy H 1 1.320 0.01 A 91 LYS HGx H 1 1.283 0.01 A 91 LYS CA C 13 56.203 0.01 A 91 LYS CB C 13 33.134 0.01 A 91 LYS CD C 13 28.943 0.01 A 91 LYS CE C 13 41.929 0.01 A 91 LYS CG C 13 24.703 0.01 A 91 LYS N N 15 122.610 0.01 A 92 ASN H H 1 7.951 0.01 A 92 ASN HA H 1 4.340 0.01 A 92 ASN HBy H 1 2.621 0.01 A 92 ASN HBx H 1 2.520 0.01 A 92 ASN CA C 13 54.766 0.01 A 92 ASN CB C 13 40.451 0.01 A 92 ASN N N 15 125.402 0.01 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 undefined _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 B 100 G H2' B 100 G H8 1.0 . 3.0 2 2 B 101 C H3' B 101 C H6 1.0 . 3.0 3 3 B 101 C H6 B 102 U H5 1.0 . 3.0 4 4 B 102 U H5 B 101 C H5 1.0 . 4.0 5 5 B 101 C H6 B 102 U H6 1.0 . 4.5 6 6 B 102 U H6 B 102 U H2' 1.0 . 4.0 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 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 3 VAL HA A 4 SER H 1.0 . 2.61 2 2 A 4 SER H A 3 VAL HB 1.0 . 3.80 3 3 A 4 SER H A 3 VAL HGx% 1.0 . 3.68 4 3 A 4 SER H A 3 VAL HGy% 1.0 . 3.68 5 4 A 5 VAL H A 4 SER HBx 1.0 . 3.41 6 4 A 4 SER HBy A 5 VAL H 1.0 . 3.41 7 5 A 5 VAL HA A 6 THR H 1.0 . 2.55 8 6 A 6 THR H A 5 VAL HB 1.0 . 3.89 9 7 A 6 THR H A 5 VAL HGx% 1.0 . 3.28 10 7 A 6 THR H A 5 VAL HGy% 1.0 . 3.28 11 8 A 6 THR H A 7 PRO HDx 1.0 . 5.00 12 8 A 6 THR H A 7 PRO HDy 1.0 . 5.00 13 9 A 6 THR HA A 7 PRO HGy 1.0 . 4.86 14 9 A 6 THR HA A 7 PRO HGx 1.0 . 4.86 15 10 A 6 THR HA A 7 PRO HDx 1.0 . 2.48 16 10 A 7 PRO HDy A 6 THR HA 1.0 . 2.48 17 11 A 6 THR HG2% A 7 PRO HA 1.0 . 4.76 18 12 A 7 PRO HDy A 6 THR HG2% 1.0 . 3.93 19 13 A 6 THR HG2% A 7 PRO HDx 1.0 . 4.43 20 14 A 8 ILE H A 7 PRO HBy 1.0 . 2.69 21 14 A 7 PRO HBx A 8 ILE H 1.0 . 2.69 22 15 A 8 ILE H A 7 PRO HDx 1.0 . 5.27 23 15 A 7 PRO HDy A 8 ILE H 1.0 . 5.27 24 16 A 8 ILE HA A 9 ARG H 1.0 . 2.80 25 17 A 9 ARG H A 8 ILE HB 1.0 . 3.41 26 18 A 9 ARG H A 8 ILE HG1x 1.0 . 3.71 27 18 A 9 ARG H A 8 ILE HG1y 1.0 . 3.71 28 19 A 9 ARG H A 8 ILE HG2% 1.0 . 3.55 29 20 A 9 ARG H A 10 ASP H 1.0 . 4.59 30 21 A 10 ASP H A 9 ARG HA 1.0 . 2.89 31 22 A 10 ASP H A 9 ARG HBx 1.0 . 3.67 32 22 A 10 ASP H A 9 ARG HBy 1.0 . 3.67 33 23 A 10 ASP H A 9 ARG HGx 1.0 . 4.45 34 23 A 10 ASP H A 9 ARG HGy 1.0 . 4.45 35 24 A 10 ASP H A 11 THR H 1.0 . 4.49 36 25 A 11 THR H A 10 ASP HBy 1.0 . 4.06 37 25 A 11 THR H A 10 ASP HBx 1.0 . 4.06 38 26 A 10 ASP HA A 12 LYS H 1.0 . 4.43 39 27 A 10 ASP H A 13 TRP HD1 1.0 . 4.18 40 28 A 13 TRP HD1 A 10 ASP HBy 1.0 . 3.53 41 28 A 10 ASP HBx A 13 TRP HD1 1.0 . 3.53 42 29 A 13 TRP HE1 A 10 ASP HBy 1.0 . 4.07 43 29 A 10 ASP HBx A 13 TRP HE1 1.0 . 4.07 44 30 A 12 LYS H A 11 THR HB 1.0 . 4.81 45 31 A 11 THR H A 13 TRP HD1 1.0 . 5.24 46 32 A 11 THR HA A 14 LEU HBy 1.0 . 4.30 47 32 A 11 THR HA A 14 LEU HBx 1.0 . 4.30 48 33 A 11 THR HA A 14 LEU HDx% 1.0 . 3.97 49 34 A 11 THR HB A 14 LEU HBy 1.0 . 4.43 50 34 A 11 THR HB A 14 LEU HBx 1.0 . 4.43 51 35 A 11 THR HB A 14 LEU HDx% 1.0 . 4.92 52 36 A 14 LEU HDx% A 11 THR HG2% 1.0 . 4.65 53 37 A 11 THR HB A 51 ILE HD1% 1.0 . 3.67 54 38 A 11 THR HB A 51 ILE HG1x 1.0 . 5.29 55 38 A 11 THR HB A 51 ILE HG1y 1.0 . 5.29 56 39 A 11 THR HB A 51 ILE HG2% 1.0 . 4.30 57 40 A 11 THR HG2% A 51 ILE HD1% 1.0 . 3.63 58 41 A 11 THR HG2% A 51 ILE HG2% 1.0 . 4.39 59 42 A 12 LYS H A 13 TRP H 1.0 . 4.04 60 43 A 12 LYS H A 13 TRP HD1 1.0 . 4.56 61 44 A 13 TRP H A 12 LYS HBy 1.0 . 3.65 62 44 A 13 TRP H A 12 LYS HBx 1.0 . 3.65 63 45 A 13 TRP H A 12 LYS HGy 1.0 . 4.24 64 45 A 13 TRP H A 12 LYS HGx 1.0 . 4.24 65 46 A 12 LYS HA A 15 THR HG2% 1.0 . 3.50 66 47 A 13 TRP H A 14 LEU H 1.0 . 4.31 67 48 A 13 TRP HD1 A 14 LEU HDx% 1.0 . 5.21 68 49 A 13 TRP HE1 A 14 LEU HG 1.0 . 5.50 69 50 A 13 TRP HE1 A 14 LEU HDx% 1.0 . 4.50 70 51 A 13 TRP HE1 A 14 LEU HDy% 1.0 . 5.17 71 52 A 14 LEU HDx% A 13 TRP HZ2 1.0 . 4.20 72 53 A 14 LEU HDy% A 13 TRP HZ2 1.0 . 4.61 73 54 A 14 LEU HDy% A 13 TRP HZ3 1.0 . 4.66 74 55 A 13 TRP HA A 15 THR H 1.0 . 4.51 75 56 A 13 TRP HH2 A 54 PHE HDx 1.0 . 4.39 76 56 A 13 TRP HH2 A 54 PHE HDy 1.0 . 4.39 77 57 A 13 TRP HH2 A 54 PHE HE% 1.0 . 4.31 78 58 A 13 TRP HZ2 A 54 PHE HE% 1.0 . 4.88 79 59 A 13 TRP HE3 A 79 LEU HDx% 1.0 . 4.45 80 59 A 13 TRP HE3 A 79 LEU HDy% 1.0 . 4.45 81 60 A 13 TRP HZ3 A 79 LEU HDx% 1.0 . 4.69 82 60 A 13 TRP HZ3 A 79 LEU HDy% 1.0 . 4.69 83 61 A 13 TRP HZ3 A 79 LEU HDx% 1.0 . 4.69 84 61 A 13 TRP HZ3 A 79 LEU HDy% 1.0 . 4.69 85 62 A 13 TRP HA A 82 ASN HBy 1.0 . 4.63 86 63 A 13 TRP HA A 82 ASN HBx 1.0 . 4.29 87 64 A 13 TRP HE3 A 82 ASN HBx 1.0 . 4.86 88 65 A 13 TRP HE3 A 83 GLY H 1.0 . 4.46 89 66 A 13 TRP HE3 A 83 GLY HAy 1.0 . 4.08 90 66 A 13 TRP HE3 A 83 GLY HAx 1.0 . 4.08 91 67 A 14 LEU H A 15 THR H 1.0 . 4.10 92 68 A 15 THR H A 14 LEU HBy 1.0 . 4.41 93 68 A 14 LEU HBx A 15 THR H 1.0 . 4.41 94 69 A 51 ILE HG2% A 14 LEU HBy 1.0 . 4.54 95 69 A 14 LEU HBx A 51 ILE HG2% 1.0 . 4.54 96 70 A 51 ILE HG2% A 14 LEU HDy% 1.0 . 4.54 97 71 A 14 LEU HA A 52 ALA HB% 1.0 . 4.20 98 72 A 52 ALA HB% A 14 LEU HBy 1.0 . 4.92 99 72 A 14 LEU HBx A 52 ALA HB% 1.0 . 4.92 100 73 A 14 LEU HDx% A 52 ALA HB% 1.0 . 5.10 101 74 A 14 LEU HDy% A 52 ALA HB% 1.0 . 4.50 102 75 A 14 LEU HDx% A 54 PHE H 1.0 . 4.84 103 76 A 14 LEU HDx% A 54 PHE HA 1.0 . 4.66 104 77 A 14 LEU HDx% A 54 PHE HBy 1.0 . 4.66 105 77 A 14 LEU HDx% A 54 PHE HBx 1.0 . 4.66 106 78 A 14 LEU HDx% A 54 PHE HDx 1.0 . 4.20 107 78 A 14 LEU HDx% A 54 PHE HDy 1.0 . 4.20 108 79 A 14 LEU HDy% A 54 PHE H 1.0 . 4.84 109 80 A 14 LEU HDy% A 54 PHE HA 1.0 . 4.66 110 81 A 14 LEU HDy% A 54 PHE HBy 1.0 . 4.66 111 81 A 14 LEU HDy% A 54 PHE HBx 1.0 . 4.66 112 82 A 14 LEU HDy% A 54 PHE HDx 1.0 . 4.40 113 82 A 14 LEU HDy% A 54 PHE HDy 1.0 . 4.40 114 83 A 14 LEU HG A 57 LEU HDx% 1.0 . 5.44 115 83 A 14 LEU HG A 57 LEU HDy% 1.0 . 5.44 116 84 A 14 LEU HDy% A 57 LEU HDx% 1.0 . 3.44 117 84 A 14 LEU HDy% A 57 LEU HDy% 1.0 . 3.44 118 85 A 14 LEU HDy% A 57 LEU HDx% 1.0 . 4.50 119 85 A 14 LEU HDy% A 57 LEU HDy% 1.0 . 4.50 120 86 A 14 LEU HA A 79 LEU HDx% 1.0 . 4.00 121 86 A 79 LEU HDy% A 14 LEU HA 1.0 . 4.00 122 87 A 14 LEU HDy% A 79 LEU HDx% 1.0 . 4.00 123 87 A 14 LEU HDy% A 79 LEU HDy% 1.0 . 4.00 124 88 A 14 LEU HDy% A 79 LEU HDx% 1.0 . 4.00 125 88 A 14 LEU HDy% A 79 LEU HDy% 1.0 . 4.00 126 89 A 15 THR HG2% A 16 LEU H 1.0 . 3.88 127 90 A 15 THR HB A 49 ARG HDy 1.0 . 5.43 128 90 A 15 THR HB A 49 ARG HDx 1.0 . 5.43 129 91 A 15 THR HB A 49 ARG HGx 1.0 . 5.50 130 91 A 15 THR HB A 49 ARG HGy 1.0 . 5.50 131 92 A 15 THR HB A 49 ARG HBy 1.0 . 3.75 132 92 A 15 THR HB A 49 ARG HBx 1.0 . 3.75 133 93 A 15 THR HG2% A 49 ARG HA 1.0 . 4.64 134 94 A 15 THR HG2% A 49 ARG HDy 1.0 . 4.39 135 94 A 15 THR HG2% A 49 ARG HDx 1.0 . 4.39 136 95 A 15 THR HG2% A 49 ARG HGx 1.0 . 4.51 137 95 A 15 THR HG2% A 49 ARG HGy 1.0 . 4.51 138 96 A 15 THR HG2% A 49 ARG HBy 1.0 . 2.96 139 96 A 15 THR HG2% A 49 ARG HBx 1.0 . 2.96 140 97 A 15 THR HA A 50 VAL H 1.0 . 4.54 141 98 A 15 THR HB A 50 VAL H 1.0 . 5.44 142 99 A 15 THR HA A 51 ILE HA 1.0 . 3.85 143 100 A 15 THR HA A 51 ILE HG1x 1.0 . 5.50 144 100 A 51 ILE HG1y A 15 THR HA 1.0 . 5.50 145 101 A 51 ILE HD1% A 15 THR HA 1.0 . 5.29 146 102 A 51 ILE HG2% A 15 THR HA 1.0 . 4.46 147 103 A 15 THR HG2% A 51 ILE HA 1.0 . 3.33 148 104 A 51 ILE HD1% A 15 THR HG2% 1.0 . 3.49 149 105 A 15 THR HG2% A 51 ILE HG1x 1.0 . 3.58 150 105 A 51 ILE HG1y A 15 THR HG2% 1.0 . 3.58 151 106 A 51 ILE HG2% A 15 THR HG2% 1.0 . 4.01 152 107 A 15 THR HA A 52 ALA H 1.0 . 4.65 153 108 A 17 GLU H A 16 LEU HBx 1.0 . 4.43 154 108 A 16 LEU HBy A 17 GLU H 1.0 . 4.43 155 109 A 16 LEU HA A 37 ALA HB% 1.0 . 5.00 156 110 A 37 ALA HB% A 16 LEU HBx 1.0 . 4.19 157 110 A 16 LEU HBy A 37 ALA HB% 1.0 . 4.19 158 111 A 37 ALA HB% A 16 LEU HBx 1.0 . 5.06 159 112 A 16 LEU H A 50 VAL HGy% 1.0 . 4.43 160 113 A 16 LEU HBy A 50 VAL HGx% 1.0 . 4.18 161 113 A 16 LEU HBx A 50 VAL HGx% 1.0 . 4.18 162 113 A 50 VAL HGy% A 16 LEU HBx 1.0 . 4.18 163 113 A 16 LEU HBy A 50 VAL HGy% 1.0 . 4.18 164 114 A 16 LEU HBy A 75 LEU HDx% 1.0 . 4.26 165 114 A 16 LEU HBx A 75 LEU HDx% 1.0 . 4.26 166 114 A 75 LEU HDy% A 16 LEU HBx 1.0 . 4.26 167 114 A 16 LEU HBy A 75 LEU HDy% 1.0 . 4.26 168 115 A 16 LEU HBx A 75 LEU HBy 1.0 . 4.50 169 115 A 16 LEU HBy A 75 LEU HBy 1.0 . 4.50 170 115 A 75 LEU HBx A 16 LEU HBx 1.0 . 4.50 171 115 A 16 LEU HBy A 75 LEU HBx 1.0 . 4.50 172 116 A 16 LEU HDx% A 75 LEU HBy 1.0 . 4.91 173 116 A 75 LEU HBx A 16 LEU HDx% 1.0 . 4.91 174 117 A 16 LEU HDx% A 75 LEU HDx% 1.0 . 3.16 175 117 A 75 LEU HDy% A 16 LEU HDx% 1.0 . 3.16 176 118 A 16 LEU HDy% A 75 LEU HBy 1.0 . 5.50 177 118 A 75 LEU HBx A 16 LEU HDy% 1.0 . 5.50 178 119 A 16 LEU HDy% A 75 LEU HDx% 1.0 . 3.24 179 119 A 75 LEU HDy% A 16 LEU HDy% 1.0 . 3.24 180 120 A 16 LEU HDx% A 78 GLN H 1.0 . 5.50 181 121 A 16 LEU HDy% A 78 GLN H 1.0 . 5.29 182 122 A 16 LEU HDy% A 78 GLN HGy 1.0 . 5.03 183 122 A 16 LEU HDy% A 78 GLN HGx 1.0 . 5.03 184 123 A 16 LEU HDy% A 78 GLN HBx 1.0 . 3.48 185 123 A 16 LEU HDy% A 78 GLN HBy 1.0 . 3.48 186 124 A 18 VAL H A 17 GLU HBx 1.0 . 4.37 187 124 A 17 GLU HBy A 18 VAL H 1.0 . 4.37 188 125 A 18 VAL H A 17 GLU HGx 1.0 . 4.57 189 125 A 18 VAL H A 17 GLU HGy 1.0 . 4.57 190 126 A 36 PHE HD% A 17 GLU HBx 1.0 . 4.10 191 126 A 17 GLU HBy A 36 PHE HD% 1.0 . 4.10 192 127 A 37 ALA H A 17 GLU HBx 1.0 . 4.60 193 127 A 17 GLU HBy A 37 ALA H 1.0 . 4.60 194 128 A 49 ARG HA A 17 GLU HA 1.0 . 3.60 195 129 A 17 GLU HA A 49 ARG HGx 1.0 . 4.90 196 129 A 49 ARG HGy A 17 GLU HA 1.0 . 4.90 197 130 A 17 GLU HA A 49 ARG HBy 1.0 . 4.21 198 130 A 49 ARG HBx A 17 GLU HA 1.0 . 4.21 199 131 A 49 ARG HA A 17 GLU HBx 1.0 . 4.36 200 131 A 49 ARG HA A 17 GLU HBy 1.0 . 4.36 201 132 A 17 GLU HBx A 49 ARG HGx 1.0 . 5.50 202 132 A 17 GLU HBy A 49 ARG HGx 1.0 . 5.50 203 132 A 49 ARG HGy A 17 GLU HBx 1.0 . 5.50 204 132 A 49 ARG HGy A 17 GLU HBy 1.0 . 5.50 205 133 A 50 VAL H A 17 GLU HA 1.0 . 4.15 206 134 A 17 GLU HA A 50 VAL HGx% 1.0 . 5.11 207 134 A 50 VAL HGy% A 17 GLU HA 1.0 . 5.11 208 135 A 22 PHE HD% A 18 VAL HGx% 1.0 . 4.52 209 136 A 22 PHE HE% A 18 VAL HGx% 1.0 . 5.44 210 137 A 18 VAL HB A 23 GLN HE2y 1.0 . 5.34 211 137 A 18 VAL HB A 23 GLN HE2x 1.0 . 5.34 212 138 A 23 GLN HE2x A 18 VAL HGx% 1.0 . 4.72 213 138 A 18 VAL HGx% A 23 GLN HE2y 1.0 . 4.72 214 139 A 23 GLN HGx A 18 VAL HGx% 1.0 . 4.84 215 139 A 18 VAL HGx% A 23 GLN HGy 1.0 . 4.84 216 140 A 18 VAL HGx% A 23 GLN HBx 1.0 . 5.02 217 140 A 18 VAL HGy% A 23 GLN HBx 1.0 . 5.02 218 140 A 23 GLN HBy A 18 VAL HGx% 1.0 . 5.02 219 140 A 18 VAL HGy% A 23 GLN HBy 1.0 . 5.02 220 141 A 37 ALA H A 18 VAL HA 1.0 . 3.76 221 142 A 37 ALA HB% A 18 VAL HA 1.0 . 2.94 222 143 A 37 ALA H A 18 VAL HGx% 1.0 . 4.41 223 143 A 37 ALA H A 18 VAL HGy% 1.0 . 4.41 224 144 A 37 ALA HA A 18 VAL HGx% 1.0 . 5.36 225 144 A 18 VAL HGy% A 37 ALA HA 1.0 . 5.36 226 145 A 18 VAL HB A 39 PRO HDy 1.0 . 4.51 227 145 A 18 VAL HB A 39 PRO HDx 1.0 . 4.51 228 146 A 18 VAL HGy% A 39 PRO HGy 1.0 . 3.28 229 146 A 18 VAL HGx% A 39 PRO HGy 1.0 . 3.28 230 146 A 39 PRO HGx A 18 VAL HGx% 1.0 . 3.28 231 146 A 18 VAL HGy% A 39 PRO HGx 1.0 . 3.28 232 147 A 18 VAL HGy% A 39 PRO HDy 1.0 . 3.38 233 147 A 18 VAL HGx% A 39 PRO HDy 1.0 . 3.38 234 147 A 39 PRO HDx A 18 VAL HGx% 1.0 . 3.38 235 147 A 18 VAL HGy% A 39 PRO HDx 1.0 . 3.38 236 148 A 18 VAL HB A 45 VAL HGx% 1.0 . 3.94 237 148 A 18 VAL HB A 45 VAL HGy% 1.0 . 3.94 238 149 A 49 ARG HA A 18 VAL H 1.0 . 4.85 239 150 A 49 ARG H A 18 VAL HGx% 1.0 . 3.85 240 150 A 18 VAL HGy% A 49 ARG H 1.0 . 3.85 241 151 A 49 ARG HA A 18 VAL HGx% 1.0 . 3.97 242 151 A 49 ARG HA A 18 VAL HGy% 1.0 . 3.97 243 152 A 18 VAL HGy% A 49 ARG HDy 1.0 . 5.22 244 152 A 18 VAL HGx% A 49 ARG HDy 1.0 . 5.22 245 153 A 18 VAL HGy% A 49 ARG HDy 1.0 . 5.44 246 153 A 18 VAL HGx% A 49 ARG HDy 1.0 . 5.44 247 153 A 49 ARG HDx A 18 VAL HGx% 1.0 . 5.44 248 153 A 49 ARG HDx A 18 VAL HGy% 1.0 . 5.44 249 154 A 50 VAL H A 18 VAL H 1.0 . 4.97 250 155 A 37 ALA H A 19 CYS H 1.0 . 4.61 251 156 A 37 ALA H A 19 CYS HBy 1.0 . 4.79 252 156 A 37 ALA H A 19 CYS HBx 1.0 . 4.79 253 157 A 38 HIS HD2 A 19 CYS HBy 1.0 . 3.50 254 157 A 19 CYS HBx A 38 HIS HD2 1.0 . 3.50 255 158 A 26 THR H A 21 GLU HBx 1.0 . 4.95 256 158 A 21 GLU HBy A 26 THR H 1.0 . 4.95 257 159 A 26 THR HA A 21 GLU HBx 1.0 . 5.24 258 159 A 21 GLU HBy A 26 THR HA 1.0 . 5.24 259 160 A 21 GLU HBx A 27 CYS HBy 1.0 . 4.25 260 160 A 21 GLU HBy A 27 CYS HBy 1.0 . 4.25 261 160 A 27 CYS HBx A 21 GLU HBx 1.0 . 4.25 262 160 A 21 GLU HBy A 27 CYS HBx 1.0 . 4.25 263 161 A 22 PHE HD% A 23 GLN H 1.0 . 4.79 264 162 A 22 PHE HD% A 23 GLN HA 1.0 . 4.85 265 163 A 22 PHE HA A 27 CYS HBy 1.0 . 4.67 266 163 A 27 CYS HBx A 22 PHE HA 1.0 . 4.67 267 164 A 22 PHE HBy A 27 CYS HBy 1.0 . 5.31 268 164 A 22 PHE HBx A 27 CYS HBy 1.0 . 5.31 269 164 A 27 CYS HBx A 22 PHE HBy 1.0 . 5.31 270 164 A 27 CYS HBx A 22 PHE HBx 1.0 . 5.31 271 165 A 22 PHE HD% A 27 CYS HBy 1.0 . 4.31 272 165 A 22 PHE HD% A 27 CYS HBx 1.0 . 4.31 273 166 A 38 HIS HE1 A 22 PHE HBy 1.0 . 5.50 274 166 A 22 PHE HBx A 38 HIS HE1 1.0 . 5.50 275 167 A 22 PHE HD% A 38 HIS HA 1.0 . 4.77 276 168 A 22 PHE HD% A 38 HIS HE1 1.0 . 5.50 277 169 A 22 PHE HE% A 38 HIS HA 1.0 . 4.83 278 170 A 22 PHE HD% A 39 PRO HDy 1.0 . 4.49 279 170 A 22 PHE HD% A 39 PRO HDx 1.0 . 4.49 280 171 A 22 PHE HE% A 39 PRO HDy 1.0 . 5.50 281 171 A 22 PHE HE% A 39 PRO HDx 1.0 . 5.50 282 172 A 22 PHE HE% A 39 PRO HGy 1.0 . 5.00 283 172 A 22 PHE HE% A 39 PRO HGx 1.0 . 5.00 284 173 A 23 GLN H A 24 ARG H 1.0 . 4.00 285 174 A 24 ARG H A 25 GLY H 1.0 . 3.74 286 175 A 25 GLY H A 24 ARG HBx 1.0 . 3.69 287 175 A 25 GLY H A 24 ARG HBy 1.0 . 3.69 288 176 A 26 THR H A 24 ARG H 1.0 . 4.71 289 177 A 26 THR H A 24 ARG HBx 1.0 . 5.42 290 177 A 26 THR H A 24 ARG HBy 1.0 . 5.42 291 178 A 26 THR HG2% A 24 ARG HBx 1.0 . 4.84 292 178 A 24 ARG HBy A 26 THR HG2% 1.0 . 4.84 293 179 A 26 THR H A 25 GLY H 1.0 . 4.20 294 180 A 38 HIS HE1 A 27 CYS HBy 1.0 . 4.77 295 180 A 27 CYS HBx A 38 HIS HE1 1.0 . 4.77 296 181 A 29 ARG HA A 30 PRO HDy 1.0 . 3.58 297 181 A 29 ARG HA A 30 PRO HDx 1.0 . 3.58 298 182 A 29 ARG HBx A 30 PRO HDy 1.0 . 3.90 299 182 A 29 ARG HBy A 30 PRO HDy 1.0 . 3.90 300 182 A 30 PRO HDx A 29 ARG HBx 1.0 . 3.90 301 182 A 30 PRO HDx A 29 ARG HBy 1.0 . 3.90 302 183 A 30 PRO HA A 31 ASP H 1.0 . 2.88 303 184 A 31 ASP H A 30 PRO HBy 1.0 . 3.11 304 184 A 31 ASP H A 30 PRO HBx 1.0 . 3.11 305 185 A 30 PRO HA A 32 THR H 1.0 . 4.68 306 186 A 32 THR H A 30 PRO HGx 1.0 . 3.61 307 186 A 32 THR H A 30 PRO HGy 1.0 . 3.61 308 187 A 32 THR H A 30 PRO HBy 1.0 . 3.60 309 187 A 30 PRO HBx A 32 THR H 1.0 . 3.60 310 188 A 30 PRO HA A 33 GLU H 1.0 . 5.38 311 189 A 30 PRO HA A 33 GLU HBx 1.0 . 5.50 312 189 A 30 PRO HA A 33 GLU HBy 1.0 . 5.50 313 190 A 33 GLU H A 30 PRO HBy 1.0 . 4.31 314 190 A 30 PRO HBx A 33 GLU H 1.0 . 4.31 315 191 A 30 PRO HDx A 33 GLU HBx 1.0 . 3.93 316 191 A 30 PRO HDy A 33 GLU HBx 1.0 . 3.93 317 191 A 33 GLU HBy A 30 PRO HDy 1.0 . 3.93 318 191 A 30 PRO HDx A 33 GLU HBy 1.0 . 3.93 319 192 A 30 PRO HDx A 33 GLU HGx 1.0 . 4.48 320 192 A 30 PRO HDy A 33 GLU HGx 1.0 . 4.48 321 192 A 33 GLU HGy A 30 PRO HDy 1.0 . 4.48 322 192 A 30 PRO HDx A 33 GLU HGy 1.0 . 4.48 323 193 A 31 ASP H A 32 THR H 1.0 . 3.49 324 194 A 32 THR H A 31 ASP HBx 1.0 . 3.67 325 194 A 32 THR H A 31 ASP HBy 1.0 . 3.67 326 195 A 31 ASP H A 33 GLU H 1.0 . 5.03 327 196 A 31 ASP HA A 34 CYS H 1.0 . 5.00 328 197 A 38 HIS HE1 A 31 ASP H 1.0 . 5.01 329 198 A 38 HIS HE1 A 31 ASP HA 1.0 . 4.55 330 199 A 31 ASP HA A 38 HIS HBy 1.0 . 4.52 331 199 A 31 ASP HA A 38 HIS HBx 1.0 . 4.52 332 200 A 38 HIS HE1 A 31 ASP HBx 1.0 . 5.50 333 200 A 38 HIS HE1 A 31 ASP HBy 1.0 . 5.50 334 201 A 31 ASP HBy A 38 HIS HBy 1.0 . 4.22 335 201 A 31 ASP HBx A 38 HIS HBy 1.0 . 4.22 336 201 A 38 HIS HBx A 31 ASP HBx 1.0 . 4.22 337 201 A 31 ASP HBy A 38 HIS HBx 1.0 . 4.22 338 202 A 32 THR H A 33 GLU H 1.0 . 3.72 339 203 A 33 GLU H A 32 THR HG2% 1.0 . 4.69 340 204 A 34 CYS H A 32 THR HA 1.0 . 4.78 341 205 A 34 CYS H A 32 THR HB 1.0 . 5.00 342 206 A 32 THR H A 72 PRO HBx 1.0 . 4.67 343 207 A 32 THR HA A 72 PRO HBx 1.0 . 4.11 344 207 A 32 THR HA A 72 PRO HBy 1.0 . 4.11 345 208 A 32 THR HA A 72 PRO HGx 1.0 . 4.07 346 208 A 32 THR HA A 72 PRO HGy 1.0 . 4.07 347 209 A 32 THR HB A 72 PRO HBx 1.0 . 4.78 348 209 A 32 THR HB A 72 PRO HBy 1.0 . 4.78 349 210 A 32 THR HB A 72 PRO HGx 1.0 . 5.50 350 210 A 32 THR HB A 72 PRO HGy 1.0 . 5.50 351 211 A 32 THR HG2% A 72 PRO HA 1.0 . 4.44 352 212 A 32 THR HG2% A 72 PRO HBx 1.0 . 3.60 353 212 A 32 THR HG2% A 72 PRO HBy 1.0 . 3.60 354 213 A 32 THR HG2% A 72 PRO HGx 1.0 . 4.63 355 213 A 32 THR HG2% A 72 PRO HGy 1.0 . 4.63 356 214 A 32 THR HG2% A 73 PRO HDy 1.0 . 4.39 357 214 A 32 THR HG2% A 73 PRO HDx 1.0 . 4.39 358 215 A 32 THR HA A 74 HIS HE1 1.0 . 3.87 359 216 A 32 THR HB A 74 HIS HE1 1.0 . 5.50 360 217 A 32 THR HG2% A 74 HIS HE1 1.0 . 5.17 361 218 A 33 GLU H A 34 CYS H 1.0 . 3.87 362 219 A 34 CYS H A 33 GLU HBx 1.0 . 4.02 363 219 A 33 GLU HBy A 34 CYS H 1.0 . 4.02 364 220 A 34 CYS H A 35 LYS H 1.0 . 4.86 365 221 A 37 ALA H A 36 PHE HBy 1.0 . 3.74 366 221 A 37 ALA H A 36 PHE HBx 1.0 . 3.74 367 222 A 36 PHE HD% A 37 ALA H 1.0 . 4.42 368 223 A 37 ALA HB% A 38 HIS H 1.0 . 4.12 369 224 A 37 ALA HB% A 39 PRO HA 1.0 . 4.89 370 225 A 37 ALA HB% A 39 PRO HDy 1.0 . 4.45 371 225 A 37 ALA HB% A 39 PRO HDx 1.0 . 4.45 372 226 A 37 ALA HB% A 39 PRO HGy 1.0 . 4.56 373 226 A 37 ALA HB% A 39 PRO HGx 1.0 . 4.56 374 227 A 37 ALA HA A 69 LEU HDx% 1.0 . 3.92 375 227 A 37 ALA HA A 69 LEU HDy% 1.0 . 3.92 376 228 A 37 ALA HB% A 69 LEU HBy 1.0 . 4.63 377 228 A 37 ALA HB% A 69 LEU HBx 1.0 . 4.63 378 229 A 37 ALA H A 75 LEU HDx% 1.0 . 4.61 379 229 A 75 LEU HDy% A 37 ALA H 1.0 . 4.61 380 230 A 37 ALA HA A 75 LEU HDx% 1.0 . 3.88 381 230 A 75 LEU HDy% A 37 ALA HA 1.0 . 3.88 382 231 A 38 HIS HA A 39 PRO HDy 1.0 . 3.56 383 231 A 39 PRO HDx A 38 HIS HA 1.0 . 3.56 384 232 A 38 HIS HBy A 39 PRO HDy 1.0 . 5.18 385 232 A 38 HIS HBx A 39 PRO HDy 1.0 . 5.18 386 232 A 39 PRO HDx A 38 HIS HBy 1.0 . 5.18 387 232 A 39 PRO HDx A 38 HIS HBx 1.0 . 5.18 388 233 A 38 HIS H A 75 LEU HDx% 1.0 . 5.44 389 233 A 75 LEU HDy% A 38 HIS H 1.0 . 5.44 390 234 A 39 PRO HA A 40 SER H 1.0 . 3.99 391 235 A 40 SER H A 39 PRO HBy 1.0 . 3.47 392 235 A 40 SER H A 39 PRO HBx 1.0 . 3.47 393 236 A 39 PRO HA A 43 CYS HBy 1.0 . 4.48 394 236 A 39 PRO HA A 43 CYS HBx 1.0 . 4.48 395 237 A 43 CYS H A 39 PRO HBy 1.0 . 4.05 396 237 A 39 PRO HBx A 43 CYS H 1.0 . 4.05 397 238 A 39 PRO HBx A 43 CYS HBy 1.0 . 3.64 398 238 A 39 PRO HBy A 43 CYS HBy 1.0 . 3.64 399 238 A 43 CYS HBx A 39 PRO HBy 1.0 . 3.64 400 238 A 39 PRO HBx A 43 CYS HBx 1.0 . 3.64 401 239 A 39 PRO HGx A 43 CYS HBy 1.0 . 4.64 402 239 A 39 PRO HGy A 43 CYS HBy 1.0 . 4.64 403 239 A 43 CYS HBx A 39 PRO HGy 1.0 . 4.64 404 239 A 39 PRO HGx A 43 CYS HBx 1.0 . 4.64 405 240 A 39 PRO HBx A 45 VAL HGx% 1.0 . 3.24 406 240 A 45 VAL HGy% A 39 PRO HBy 1.0 . 3.24 407 240 A 45 VAL HGy% A 39 PRO HBx 1.0 . 3.24 408 240 A 39 PRO HBy A 45 VAL HGx% 1.0 . 3.24 409 241 A 45 VAL HA A 39 PRO HGy 1.0 . 4.95 410 241 A 39 PRO HGx A 45 VAL HA 1.0 . 4.95 411 242 A 39 PRO HGx A 45 VAL HGx% 1.0 . 3.25 412 242 A 45 VAL HGy% A 39 PRO HGy 1.0 . 3.25 413 242 A 39 PRO HGx A 45 VAL HGy% 1.0 . 3.25 414 242 A 39 PRO HGy A 45 VAL HGx% 1.0 . 3.25 415 243 A 39 PRO HDy A 45 VAL HGx% 1.0 . 4.05 416 243 A 39 PRO HDx A 45 VAL HGx% 1.0 . 4.05 417 243 A 45 VAL HGy% A 39 PRO HDy 1.0 . 4.05 418 243 A 39 PRO HDx A 45 VAL HGy% 1.0 . 4.05 419 244 A 39 PRO HBx A 50 VAL HGx% 1.0 . 3.95 420 244 A 39 PRO HBy A 50 VAL HGx% 1.0 . 3.95 421 244 A 50 VAL HGy% A 39 PRO HBy 1.0 . 3.95 422 244 A 50 VAL HGy% A 39 PRO HBx 1.0 . 3.95 423 245 A 39 PRO HDx A 50 VAL HGx% 1.0 . 4.37 424 245 A 39 PRO HDy A 50 VAL HGx% 1.0 . 4.37 425 245 A 50 VAL HGy% A 39 PRO HDy 1.0 . 4.37 426 245 A 50 VAL HGy% A 39 PRO HDx 1.0 . 4.37 427 246 A 50 VAL HGy% A 39 PRO HGy 1.0 . 4.12 428 246 A 50 VAL HGy% A 39 PRO HGx 1.0 . 4.12 429 247 A 39 PRO HA A 50 VAL HGx% 1.0 . 4.50 430 247 A 50 VAL HGy% A 39 PRO HA 1.0 . 4.50 431 248 A 40 SER H A 41 LYS H 1.0 . 4.46 432 249 A 41 LYS H A 40 SER HBy 1.0 . 2.85 433 249 A 41 LYS H A 40 SER HBx 1.0 . 2.85 434 250 A 40 SER HA A 42 SER H 1.0 . 4.94 435 251 A 40 SER H A 45 VAL HGx% 1.0 . 3.90 436 251 A 45 VAL HGy% A 40 SER H 1.0 . 3.90 437 252 A 41 LYS H A 42 SER H 1.0 . 3.47 438 253 A 42 SER H A 41 LYS HA 1.0 . 3.40 439 254 A 42 SER H A 41 LYS HBx 1.0 . 4.07 440 254 A 42 SER H A 41 LYS HBy 1.0 . 4.07 441 255 A 42 SER H A 41 LYS HGx 1.0 . 4.31 442 255 A 42 SER H A 41 LYS HGy 1.0 . 4.31 443 256 A 43 CYS H A 41 LYS H 1.0 . 4.71 444 257 A 43 CYS H A 41 LYS HA 1.0 . 4.06 445 258 A 43 CYS H A 42 SER H 1.0 . 3.04 446 259 A 43 CYS H A 42 SER HBy 1.0 . 3.55 447 259 A 43 CYS H A 42 SER HBx 1.0 . 3.55 448 260 A 43 CYS HA A 44 GLN H 1.0 . 3.19 449 261 A 44 GLN H A 43 CYS HBy 1.0 . 3.96 450 261 A 43 CYS HBx A 44 GLN H 1.0 . 3.96 451 262 A 43 CYS H A 45 VAL HGx% 1.0 . 4.03 452 262 A 45 VAL HGy% A 43 CYS H 1.0 . 4.03 453 263 A 43 CYS HBy A 45 VAL HGx% 1.0 . 3.91 454 263 A 43 CYS HBx A 45 VAL HGx% 1.0 . 3.91 455 263 A 45 VAL HGy% A 43 CYS HBy 1.0 . 3.91 456 263 A 45 VAL HGy% A 43 CYS HBx 1.0 . 3.91 457 264 A 50 VAL HGy% A 43 CYS HBy 1.0 . 5.11 458 264 A 50 VAL HGy% A 43 CYS HBx 1.0 . 5.11 459 265 A 43 CYS HBy A 50 VAL HGx% 1.0 . 4.14 460 265 A 43 CYS HBx A 50 VAL HGx% 1.0 . 4.14 461 266 A 44 GLN H A 45 VAL H 1.0 . 4.41 462 267 A 45 VAL H A 44 GLN HA 1.0 . 2.87 463 268 A 45 VAL H A 44 GLN HBx 1.0 . 4.30 464 268 A 45 VAL H A 44 GLN HBy 1.0 . 4.30 465 269 A 44 GLN H A 50 VAL HGx% 1.0 . 5.21 466 270 A 45 VAL HA A 46 GLU H 1.0 . 3.13 467 271 A 45 VAL HA A 50 VAL HA 1.0 . 3.50 468 272 A 50 VAL HGy% A 45 VAL HA 1.0 . 4.64 469 273 A 50 VAL HA A 45 VAL HGx% 1.0 . 4.50 470 273 A 45 VAL HGy% A 50 VAL HA 1.0 . 4.50 471 274 A 46 GLU HA A 47 ASN H 1.0 . 3.24 472 275 A 47 ASN H A 46 GLU HBx 1.0 . 4.29 473 275 A 47 ASN H A 46 GLU HBy 1.0 . 4.29 474 276 A 47 ASN H A 46 GLU HGx 1.0 . 4.18 475 276 A 47 ASN H A 46 GLU HGy 1.0 . 4.18 476 277 A 49 ARG H A 46 GLU H 1.0 . 4.17 477 278 A 49 ARG H A 46 GLU HA 1.0 . 5.09 478 279 A 49 ARG H A 46 GLU HGx 1.0 . 5.50 479 279 A 49 ARG H A 46 GLU HGy 1.0 . 5.50 480 280 A 49 ARG HA A 46 GLU H 1.0 . 5.00 481 281 A 46 GLU H A 50 VAL HA 1.0 . 4.46 482 282 A 47 ASN H A 48 GLY H 1.0 . 3.87 483 283 A 48 GLY H A 47 ASN HBy 1.0 . 4.37 484 283 A 48 GLY H A 47 ASN HBx 1.0 . 4.37 485 284 A 49 ARG H A 48 GLY H 1.0 . 3.23 486 285 A 49 ARG H A 48 GLY HAy 1.0 . 4.58 487 286 A 50 VAL H A 49 ARG H 1.0 . 4.62 488 287 A 49 ARG HA A 50 VAL H 1.0 . 3.45 489 288 A 50 VAL H A 49 ARG HBy 1.0 . 3.38 490 288 A 49 ARG HBx A 50 VAL H 1.0 . 3.38 491 289 A 50 VAL H A 51 ILE H 1.0 . 5.25 492 290 A 68 TYR HA A 50 VAL HGx% 1.0 . 4.67 493 291 A 50 VAL HGy% A 69 LEU H 1.0 . 4.72 494 292 A 52 ALA H A 51 ILE HG1x 1.0 . 5.34 495 292 A 51 ILE HG1y A 52 ALA H 1.0 . 5.34 496 293 A 51 ILE HG2% A 52 ALA H 1.0 . 4.06 497 294 A 51 ILE H A 68 TYR HDx 1.0 . 4.65 498 295 A 68 TYR HA A 51 ILE HB 1.0 . 4.76 499 296 A 68 TYR HDx A 51 ILE HB 1.0 . 4.01 500 296 A 51 ILE HB A 68 TYR HDy 1.0 . 4.01 501 297 A 51 ILE HB A 68 TYR HEx 1.0 . 3.81 502 297 A 51 ILE HB A 68 TYR HEy 1.0 . 3.81 503 298 A 51 ILE HD1% A 68 TYR HDx 1.0 . 4.15 504 298 A 51 ILE HD1% A 68 TYR HDy 1.0 . 4.15 505 299 A 51 ILE HD1% A 68 TYR HEx 1.0 . 3.58 506 299 A 51 ILE HD1% A 68 TYR HEy 1.0 . 3.58 507 300 A 51 ILE HG1y A 68 TYR HDy 1.0 . 5.30 508 300 A 68 TYR HDx A 51 ILE HG1x 1.0 . 5.30 509 300 A 51 ILE HG1x A 68 TYR HDy 1.0 . 5.30 510 300 A 51 ILE HG1y A 68 TYR HDx 1.0 . 5.30 511 301 A 68 TYR HEx A 51 ILE HG1x 1.0 . 4.40 512 301 A 51 ILE HG1y A 68 TYR HEx 1.0 . 4.40 513 301 A 51 ILE HG1y A 68 TYR HEy 1.0 . 4.40 514 301 A 68 TYR HEy A 51 ILE HG1x 1.0 . 4.40 515 302 A 51 ILE HG2% A 68 TYR HA 1.0 . 4.91 516 303 A 51 ILE HG2% A 68 TYR HDx 1.0 . 4.09 517 303 A 51 ILE HG2% A 68 TYR HDy 1.0 . 4.09 518 304 A 51 ILE HG2% A 68 TYR HEx 1.0 . 3.97 519 304 A 51 ILE HG2% A 68 TYR HEy 1.0 . 3.97 520 305 A 52 ALA HB% A 53 CYS H 1.0 . 3.79 521 306 A 52 ALA HA A 57 LEU HDx% 1.0 . 4.52 522 306 A 57 LEU HDy% A 52 ALA HA 1.0 . 4.52 523 307 A 52 ALA HB% A 57 LEU HG 1.0 . 4.40 524 308 A 69 LEU H A 52 ALA HA 1.0 . 4.01 525 309 A 52 ALA HA A 69 LEU HA 1.0 . 5.31 526 310 A 52 ALA HA A 69 LEU HBy 1.0 . 5.05 527 310 A 69 LEU HBx A 52 ALA HA 1.0 . 5.05 528 311 A 52 ALA HA A 69 LEU HDx% 1.0 . 4.21 529 311 A 69 LEU HDy% A 52 ALA HA 1.0 . 4.21 530 312 A 52 ALA HB% A 70 HIS HA 1.0 . 4.69 531 313 A 52 ALA HB% A 71 PRO HDx 1.0 . 4.32 532 313 A 52 ALA HB% A 71 PRO HDy 1.0 . 4.32 533 314 A 52 ALA HB% A 71 PRO HGx 1.0 . 3.17 534 314 A 52 ALA HB% A 71 PRO HGy 1.0 . 3.17 535 315 A 52 ALA HB% A 79 LEU HBy 1.0 . 4.66 536 316 A 52 ALA HB% A 79 LEU HG 1.0 . 5.50 537 317 A 53 CYS HA A 55 ASP H 1.0 . 4.61 538 318 A 55 ASP H A 53 CYS HBy 1.0 . 4.72 539 318 A 55 ASP H A 53 CYS HBx 1.0 . 4.72 540 319 A 53 CYS H A 57 LEU HDx% 1.0 . 4.69 541 319 A 57 LEU HDy% A 53 CYS H 1.0 . 4.69 542 320 A 53 CYS HA A 57 LEU H 1.0 . 5.50 543 321 A 68 TYR HA A 53 CYS H 1.0 . 5.26 544 322 A 53 CYS H A 68 TYR HBy 1.0 . 4.46 545 322 A 53 CYS H A 68 TYR HBx 1.0 . 4.46 546 323 A 68 TYR HDx A 53 CYS H 1.0 . 5.00 547 323 A 53 CYS H A 68 TYR HDy 1.0 . 5.00 548 324 A 68 TYR HA A 53 CYS HA 1.0 . 5.50 549 325 A 53 CYS HA A 68 TYR HBy 1.0 . 3.78 550 325 A 53 CYS HA A 68 TYR HBx 1.0 . 3.78 551 326 A 68 TYR HDx A 53 CYS HA 1.0 . 3.88 552 326 A 53 CYS HA A 68 TYR HDy 1.0 . 3.88 553 327 A 53 CYS HA A 68 TYR HEx 1.0 . 5.24 554 327 A 53 CYS HA A 68 TYR HEy 1.0 . 5.24 555 328 A 53 CYS HBx A 68 TYR HBy 1.0 . 4.15 556 328 A 53 CYS HBy A 68 TYR HBy 1.0 . 4.15 557 328 A 68 TYR HBx A 53 CYS HBy 1.0 . 4.15 558 328 A 53 CYS HBx A 68 TYR HBx 1.0 . 4.15 559 329 A 53 CYS HBy A 68 TYR HDy 1.0 . 5.18 560 329 A 53 CYS HBx A 68 TYR HDy 1.0 . 5.18 561 329 A 68 TYR HDx A 53 CYS HBx 1.0 . 5.18 562 329 A 68 TYR HDx A 53 CYS HBy 1.0 . 5.18 563 330 A 69 LEU H A 53 CYS H 1.0 . 4.78 564 331 A 53 CYS H A 70 HIS HA 1.0 . 4.57 565 332 A 53 CYS H A 70 HIS HD2 1.0 . 4.13 566 333 A 53 CYS HA A 70 HIS HD2 1.0 . 4.95 567 334 A 53 CYS H A 71 PRO HGx 1.0 . 5.26 568 334 A 53 CYS H A 71 PRO HGy 1.0 . 5.26 569 335 A 54 PHE H A 55 ASP H 1.0 . 4.27 570 336 A 55 ASP H A 54 PHE HBy 1.0 . 3.49 571 336 A 54 PHE HBx A 55 ASP H 1.0 . 3.49 572 337 A 55 ASP H A 54 PHE HDx 1.0 . 3.76 573 337 A 55 ASP H A 54 PHE HDy 1.0 . 3.76 574 338 A 55 ASP HA A 54 PHE HDx 1.0 . 4.51 575 338 A 55 ASP HA A 54 PHE HDy 1.0 . 4.51 576 339 A 56 SER H A 54 PHE HDx 1.0 . 5.50 577 339 A 56 SER H A 54 PHE HDy 1.0 . 5.50 578 340 A 54 PHE HA A 57 LEU H 1.0 . 3.94 579 341 A 54 PHE HA A 57 LEU HBx 1.0 . 4.35 580 341 A 54 PHE HA A 57 LEU HBy 1.0 . 4.35 581 342 A 54 PHE HA A 57 LEU HG 1.0 . 4.29 582 343 A 54 PHE HA A 57 LEU HDx% 1.0 . 3.45 583 343 A 54 PHE HA A 57 LEU HDy% 1.0 . 3.45 584 344 A 57 LEU H A 54 PHE HDx 1.0 . 5.50 585 344 A 57 LEU H A 54 PHE HDy 1.0 . 5.50 586 345 A 57 LEU HDy% A 54 PHE HDx 1.0 . 4.26 587 345 A 54 PHE HDy A 57 LEU HDx% 1.0 . 4.26 588 345 A 57 LEU HDy% A 54 PHE HDy 1.0 . 4.26 589 345 A 54 PHE HDx A 57 LEU HDx% 1.0 . 4.26 590 346 A 54 PHE HZ A 58 LYS HEx 1.0 . 4.08 591 346 A 54 PHE HZ A 58 LYS HEy 1.0 . 4.08 592 347 A 54 PHE HDx A 58 LYS HEx 1.0 . 4.90 593 347 A 58 LYS HEy A 54 PHE HDx 1.0 . 4.90 594 347 A 58 LYS HEy A 54 PHE HDy 1.0 . 4.90 595 347 A 54 PHE HDy A 58 LYS HEx 1.0 . 4.90 596 348 A 54 PHE HE% A 58 LYS HEx 1.0 . 4.01 597 348 A 54 PHE HE% A 58 LYS HEy 1.0 . 4.01 598 349 A 54 PHE HE% A 58 LYS HGx 1.0 . 5.11 599 349 A 54 PHE HE% A 58 LYS HGy 1.0 . 5.11 600 350 A 54 PHE H A 68 TYR HBy 1.0 . 5.12 601 350 A 54 PHE H A 68 TYR HBx 1.0 . 5.12 602 351 A 54 PHE H A 68 TYR HDx 1.0 . 4.57 603 351 A 54 PHE H A 68 TYR HDy 1.0 . 4.57 604 352 A 55 ASP H A 56 SER H 1.0 . 4.09 605 353 A 56 SER H A 55 ASP HBx 1.0 . 4.22 606 353 A 56 SER H A 55 ASP HBy 1.0 . 4.22 607 354 A 55 ASP H A 57 LEU H 1.0 . 5.30 608 355 A 57 LEU H A 55 ASP HA 1.0 . 4.94 609 356 A 57 LEU H A 55 ASP HBx 1.0 . 5.34 610 356 A 57 LEU H A 55 ASP HBy 1.0 . 5.34 611 357 A 55 ASP H A 58 LYS HBx 1.0 . 5.50 612 358 A 55 ASP HA A 58 LYS H 1.0 . 4.29 613 359 A 55 ASP HA A 58 LYS HBy 1.0 . 3.93 614 359 A 55 ASP HA A 58 LYS HBx 1.0 . 3.93 615 360 A 61 CYS HA A 55 ASP HBx 1.0 . 4.09 616 360 A 55 ASP HBy A 61 CYS HA 1.0 . 4.09 617 361 A 61 CYS H A 55 ASP HBx 1.0 . 4.53 618 361 A 55 ASP HBy A 61 CYS H 1.0 . 4.53 619 362 A 55 ASP HBy A 61 CYS HBy 1.0 . 5.28 620 362 A 55 ASP HBx A 61 CYS HBy 1.0 . 5.28 621 362 A 61 CYS HBx A 55 ASP HBx 1.0 . 5.28 622 362 A 55 ASP HBy A 61 CYS HBx 1.0 . 5.28 623 363 A 55 ASP HA A 62 SER H 1.0 . 4.91 624 364 A 57 LEU H A 56 SER H 1.0 . 3.85 625 365 A 56 SER H A 58 LYS H 1.0 . 4.80 626 366 A 56 SER HA A 59 GLY H 1.0 . 4.15 627 367 A 56 SER HA A 60 ARG H 1.0 . 4.37 628 368 A 56 SER H A 61 CYS HBy 1.0 . 4.59 629 368 A 56 SER H A 61 CYS HBx 1.0 . 4.59 630 369 A 61 CYS H A 56 SER HA 1.0 . 3.62 631 370 A 61 CYS HA A 56 SER HA 1.0 . 3.92 632 371 A 56 SER HA A 61 CYS HBy 1.0 . 4.37 633 371 A 61 CYS HBx A 56 SER HA 1.0 . 4.37 634 372 A 56 SER HBx A 61 CYS HBy 1.0 . 4.59 635 372 A 56 SER HBy A 61 CYS HBy 1.0 . 4.59 636 372 A 61 CYS HBx A 56 SER HBy 1.0 . 4.59 637 372 A 61 CYS HBx A 56 SER HBx 1.0 . 4.59 638 373 A 70 HIS HD2 A 56 SER H 1.0 . 5.50 639 374 A 70 HIS HD2 A 56 SER HBy 1.0 . 4.99 640 374 A 70 HIS HD2 A 56 SER HBx 1.0 . 4.99 641 375 A 70 HIS HA A 56 SER HBy 1.0 . 4.38 642 375 A 70 HIS HA A 56 SER HBx 1.0 . 4.38 643 376 A 70 HIS HE1 A 56 SER HBy 1.0 . 5.08 644 376 A 56 SER HBx A 70 HIS HE1 1.0 . 5.08 645 377 A 57 LEU H A 58 LYS H 1.0 . 3.71 646 378 A 57 LEU HBy A 58 LYS H 1.0 . 3.81 647 379 A 58 LYS H A 57 LEU HDx% 1.0 . 4.84 648 379 A 57 LEU HDy% A 58 LYS H 1.0 . 4.84 649 380 A 71 PRO HDy A 57 LEU HDx% 1.0 . 3.87 650 380 A 57 LEU HDy% A 71 PRO HDy 1.0 . 3.87 651 381 A 57 LEU HDy% A 75 LEU HBy 1.0 . 5.23 652 381 A 57 LEU HDx% A 75 LEU HBy 1.0 . 5.23 653 381 A 75 LEU HBx A 57 LEU HDx% 1.0 . 5.23 654 381 A 57 LEU HDy% A 75 LEU HBx 1.0 . 5.23 655 382 A 57 LEU HA A 76 LYS HEx 1.0 . 3.63 656 382 A 57 LEU HA A 76 LYS HEy 1.0 . 3.63 657 383 A 76 LYS H A 57 LEU HDx% 1.0 . 4.84 658 383 A 57 LEU HDy% A 76 LYS H 1.0 . 4.84 659 384 A 76 LYS HA A 57 LEU HDx% 1.0 . 3.36 660 384 A 57 LEU HDy% A 76 LYS HA 1.0 . 3.36 661 385 A 57 LEU HDy% A 76 LYS HBx 1.0 . 4.73 662 385 A 57 LEU HDx% A 76 LYS HBx 1.0 . 4.73 663 385 A 76 LYS HBy A 57 LEU HDx% 1.0 . 4.73 664 385 A 57 LEU HDy% A 76 LYS HBy 1.0 . 4.73 665 386 A 57 LEU HDy% A 76 LYS HEx 1.0 . 4.12 666 386 A 76 LYS HEy A 57 LEU HDx% 1.0 . 4.12 667 386 A 57 LEU HDy% A 76 LYS HEy 1.0 . 4.12 668 386 A 57 LEU HDx% A 76 LYS HEx 1.0 . 4.12 669 387 A 57 LEU HDx% A 76 LYS HGy 1.0 . 3.31 670 387 A 76 LYS HGx A 57 LEU HDx% 1.0 . 3.31 671 387 A 57 LEU HDy% A 76 LYS HGx 1.0 . 3.31 672 387 A 57 LEU HDy% A 76 LYS HGy 1.0 . 3.31 673 388 A 79 LEU HG A 57 LEU HBx 1.0 . 4.49 674 388 A 79 LEU HG A 57 LEU HBy 1.0 . 4.49 675 389 A 57 LEU HBy A 79 LEU HDx% 1.0 . 4.09 676 389 A 57 LEU HBx A 79 LEU HDx% 1.0 . 4.09 677 389 A 79 LEU HDy% A 57 LEU HBx 1.0 . 4.09 678 389 A 79 LEU HDy% A 57 LEU HBy 1.0 . 4.09 679 390 A 57 LEU HDy% A 79 LEU HBx 1.0 . 4.23 680 390 A 79 LEU HBy A 57 LEU HDx% 1.0 . 4.23 681 390 A 57 LEU HDy% A 79 LEU HBy 1.0 . 4.23 682 390 A 57 LEU HDx% A 79 LEU HBx 1.0 . 4.23 683 391 A 79 LEU HG A 57 LEU HDx% 1.0 . 3.81 684 391 A 57 LEU HDy% A 79 LEU HG 1.0 . 3.81 685 392 A 80 GLU H A 57 LEU HDx% 1.0 . 5.44 686 392 A 57 LEU HDy% A 80 GLU H 1.0 . 5.44 687 393 A 57 LEU HDy% A 80 GLU HGy 1.0 . 5.44 688 393 A 57 LEU HDx% A 80 GLU HGy 1.0 . 5.44 689 393 A 80 GLU HGx A 57 LEU HDx% 1.0 . 5.44 690 393 A 57 LEU HDy% A 80 GLU HGx 1.0 . 5.44 691 394 A 58 LYS H A 59 GLY H 1.0 . 3.47 692 395 A 59 GLY H A 58 LYS HBy 1.0 . 4.09 693 395 A 58 LYS HBx A 59 GLY H 1.0 . 4.09 694 396 A 58 LYS H A 60 ARG H 1.0 . 4.74 695 397 A 59 GLY H A 60 ARG H 1.0 . 3.39 696 398 A 60 ARG H A 59 GLY HAy 1.0 . 3.55 697 398 A 60 ARG H A 59 GLY HAx 1.0 . 3.55 698 399 A 61 CYS H A 59 GLY HAy 1.0 . 4.83 699 399 A 61 CYS H A 59 GLY HAx 1.0 . 4.83 700 400 A 61 CYS H A 60 ARG HBy 1.0 . 4.00 701 400 A 61 CYS H A 60 ARG HBx 1.0 . 4.00 702 401 A 61 CYS H A 60 ARG HDx 1.0 . 3.96 703 401 A 61 CYS H A 60 ARG HDy 1.0 . 3.96 704 402 A 61 CYS H A 60 ARG HGy 1.0 . 3.75 705 402 A 61 CYS H A 60 ARG HGx 1.0 . 3.75 706 403 A 61 CYS H A 62 SER H 1.0 . 4.66 707 404 A 61 CYS HA A 62 SER H 1.0 . 3.07 708 405 A 62 SER H A 61 CYS HBy 1.0 . 4.29 709 405 A 61 CYS HBx A 62 SER H 1.0 . 4.29 710 406 A 61 CYS HA A 70 HIS HE1 1.0 . 5.49 711 407 A 70 HIS HE1 A 61 CYS HBy 1.0 . 4.03 712 407 A 61 CYS HBx A 70 HIS HE1 1.0 . 4.03 713 408 A 62 SER H A 63 ARG H 1.0 . 3.87 714 409 A 63 ARG H A 62 SER HBx 1.0 . 4.63 715 409 A 63 ARG H A 62 SER HBy 1.0 . 4.63 716 410 A 63 ARG H A 64 GLU H 1.0 . 4.96 717 411 A 64 GLU H A 63 ARG HA 1.0 . 3.72 718 412 A 64 GLU H A 63 ARG HBx 1.0 . 4.19 719 412 A 64 GLU H A 63 ARG HBy 1.0 . 4.19 720 413 A 65 ASN H A 63 ARG HBx 1.0 . 4.70 721 413 A 63 ARG HBy A 65 ASN H 1.0 . 4.70 722 414 A 63 ARG HA A 66 CYS HBx 1.0 . 4.86 723 414 A 63 ARG HA A 66 CYS HBy 1.0 . 4.86 724 415 A 63 ARG HBy A 66 CYS HBx 1.0 . 4.23 725 415 A 63 ARG HBx A 66 CYS HBx 1.0 . 4.23 726 415 A 66 CYS HBy A 63 ARG HBx 1.0 . 4.23 727 415 A 63 ARG HBy A 66 CYS HBy 1.0 . 4.23 728 416 A 64 GLU H A 65 ASN H 1.0 . 4.78 729 417 A 65 ASN H A 64 GLU HA 1.0 . 3.71 730 418 A 65 ASN H A 64 GLU HBx 1.0 . 3.80 731 418 A 65 ASN H A 64 GLU HBy 1.0 . 3.80 732 419 A 65 ASN H A 64 GLU HGy 1.0 . 4.20 733 419 A 65 ASN H A 64 GLU HGx 1.0 . 4.20 734 420 A 65 ASN H A 66 CYS H 1.0 . 4.00 735 421 A 66 CYS H A 65 ASN HA 1.0 . 3.10 736 422 A 66 CYS H A 65 ASN HBy 1.0 . 4.20 737 422 A 66 CYS H A 65 ASN HBx 1.0 . 4.20 738 423 A 66 CYS H A 67 LYS H 1.0 . 4.66 739 424 A 67 LYS H A 66 CYS HA 1.0 . 3.27 740 425 A 67 LYS H A 66 CYS HBx 1.0 . 3.96 741 425 A 66 CYS HBy A 67 LYS H 1.0 . 3.96 742 426 A 67 LYS H A 68 TYR H 1.0 . 4.53 743 427 A 68 TYR H A 67 LYS HGx 1.0 . 4.56 744 427 A 68 TYR H A 67 LYS HGy 1.0 . 4.56 745 428 A 68 TYR H A 67 LYS HBy 1.0 . 4.33 746 428 A 68 TYR H A 67 LYS HBx 1.0 . 4.33 747 429 A 68 TYR HEy A 67 LYS HEy 1.0 . 3.71 748 429 A 67 LYS HEx A 68 TYR HEx 1.0 . 3.71 749 429 A 68 TYR HEx A 67 LYS HEy 1.0 . 3.71 750 429 A 67 LYS HEx A 68 TYR HEy 1.0 . 3.71 751 430 A 69 LEU H A 68 TYR H 1.0 . 4.95 752 431 A 68 TYR HA A 69 LEU H 1.0 . 4.00 753 432 A 69 LEU H A 68 TYR HBy 1.0 . 3.74 754 432 A 69 LEU H A 68 TYR HBx 1.0 . 3.74 755 433 A 69 LEU H A 68 TYR HDx 1.0 . 4.43 756 433 A 69 LEU H A 68 TYR HDy 1.0 . 4.43 757 434 A 69 LEU H A 70 HIS H 1.0 . 5.22 758 435 A 69 LEU HA A 70 HIS H 1.0 . 3.44 759 436 A 70 HIS H A 69 LEU HBy 1.0 . 4.69 760 436 A 69 LEU HBx A 70 HIS H 1.0 . 4.69 761 437 A 70 HIS H A 69 LEU HDx% 1.0 . 4.68 762 437 A 69 LEU HDy% A 70 HIS H 1.0 . 4.68 763 438 A 70 HIS H A 69 LEU HDx% 1.0 . 3.68 764 438 A 69 LEU HDy% A 70 HIS H 1.0 . 3.68 765 439 A 71 PRO HA A 69 LEU HDx% 1.0 . 4.04 766 439 A 69 LEU HDy% A 71 PRO HA 1.0 . 4.04 767 440 A 71 PRO HA A 69 LEU HDx% 1.0 . 4.54 768 440 A 69 LEU HDy% A 71 PRO HA 1.0 . 4.54 769 441 A 69 LEU HDy% A 71 PRO HDx 1.0 . 4.12 770 441 A 71 PRO HDy A 69 LEU HDx% 1.0 . 4.12 771 441 A 69 LEU HDy% A 71 PRO HDy 1.0 . 4.12 772 441 A 69 LEU HDx% A 71 PRO HDx 1.0 . 4.12 773 442 A 70 HIS HA A 71 PRO HDx 1.0 . 3.62 774 442 A 70 HIS HA A 71 PRO HDy 1.0 . 3.62 775 443 A 70 HIS HBx A 71 PRO HDx 1.0 . 4.90 776 443 A 70 HIS HBy A 71 PRO HDx 1.0 . 4.90 777 443 A 71 PRO HDy A 70 HIS HBy 1.0 . 4.90 778 443 A 71 PRO HDy A 70 HIS HBx 1.0 . 4.90 779 444 A 70 HIS HD2 A 71 PRO HDx 1.0 . 4.77 780 444 A 71 PRO HDy A 70 HIS HD2 1.0 . 4.77 781 445 A 71 PRO HA A 72 PRO HDx 1.0 . 3.64 782 445 A 71 PRO HA A 72 PRO HDy 1.0 . 3.64 783 446 A 71 PRO HA A 72 PRO HGx 1.0 . 4.95 784 447 A 71 PRO HA A 75 LEU HBy 1.0 . 4.51 785 447 A 75 LEU HBx A 71 PRO HA 1.0 . 4.51 786 448 A 71 PRO HA A 75 LEU HDx% 1.0 . 4.31 787 448 A 75 LEU HDy% A 71 PRO HA 1.0 . 4.31 788 449 A 72 PRO HA A 73 PRO HGx 1.0 . 5.07 789 449 A 72 PRO HA A 73 PRO HGy 1.0 . 5.07 790 450 A 72 PRO HA A 73 PRO HDy 1.0 . 3.16 791 450 A 72 PRO HA A 73 PRO HDx 1.0 . 3.16 792 451 A 72 PRO HBy A 73 PRO HDy 1.0 . 4.44 793 451 A 72 PRO HBx A 73 PRO HDy 1.0 . 4.44 794 451 A 73 PRO HDx A 72 PRO HBx 1.0 . 4.44 795 451 A 72 PRO HBy A 73 PRO HDx 1.0 . 4.44 796 452 A 74 HIS HE1 A 72 PRO HBx 1.0 . 4.66 797 452 A 72 PRO HBy A 74 HIS HE1 1.0 . 4.66 798 453 A 74 HIS HE1 A 72 PRO HGx 1.0 . 4.08 799 453 A 72 PRO HGy A 74 HIS HE1 1.0 . 4.08 800 454 A 72 PRO HDx A 75 LEU HBy 1.0 . 4.48 801 454 A 72 PRO HDy A 75 LEU HBy 1.0 . 4.48 802 454 A 75 LEU HBx A 72 PRO HDx 1.0 . 4.48 803 454 A 75 LEU HBx A 72 PRO HDy 1.0 . 4.48 804 455 A 72 PRO HDx A 75 LEU HDx% 1.0 . 3.98 805 455 A 75 LEU HDy% A 72 PRO HDx 1.0 . 3.98 806 455 A 75 LEU HDy% A 72 PRO HDy 1.0 . 3.98 807 455 A 72 PRO HDy A 75 LEU HDx% 1.0 . 3.98 808 456 A 72 PRO HDx A 75 LEU HDx% 1.0 . 4.48 809 456 A 75 LEU HDy% A 72 PRO HDx 1.0 . 4.48 810 456 A 75 LEU HDy% A 72 PRO HDy 1.0 . 4.48 811 456 A 72 PRO HDy A 75 LEU HDx% 1.0 . 4.48 812 457 A 75 LEU H A 72 PRO HDx 1.0 . 5.17 813 457 A 72 PRO HDy A 75 LEU H 1.0 . 5.17 814 458 A 75 LEU H A 72 PRO HGx 1.0 . 4.00 815 458 A 72 PRO HGy A 75 LEU H 1.0 . 4.00 816 459 A 72 PRO HGy A 75 LEU HDx% 1.0 . 5.00 817 459 A 72 PRO HGx A 75 LEU HDx% 1.0 . 5.00 818 459 A 75 LEU HDy% A 72 PRO HGx 1.0 . 5.00 819 459 A 75 LEU HDy% A 72 PRO HGy 1.0 . 5.00 820 460 A 72 PRO HGy A 75 LEU HDx% 1.0 . 5.50 821 460 A 72 PRO HGx A 75 LEU HDx% 1.0 . 5.50 822 460 A 75 LEU HDy% A 72 PRO HGx 1.0 . 5.50 823 460 A 75 LEU HDy% A 72 PRO HGy 1.0 . 5.50 824 461 A 75 LEU H A 73 PRO HDy 1.0 . 5.33 825 461 A 73 PRO HDx A 75 LEU H 1.0 . 5.33 826 462 A 76 LYS HA A 73 PRO HA 1.0 . 5.43 827 463 A 73 PRO HA A 76 LYS HBx 1.0 . 3.74 828 463 A 76 LYS HBy A 73 PRO HA 1.0 . 3.74 829 464 A 73 PRO HA A 76 LYS HDx 1.0 . 3.54 830 464 A 73 PRO HA A 76 LYS HDy 1.0 . 3.54 831 465 A 73 PRO HA A 76 LYS HEx 1.0 . 4.44 832 465 A 76 LYS HEy A 73 PRO HA 1.0 . 4.44 833 466 A 73 PRO HBy A 76 LYS HDx 1.0 . 4.49 834 466 A 73 PRO HBx A 76 LYS HDx 1.0 . 4.49 835 466 A 76 LYS HDy A 73 PRO HBy 1.0 . 4.49 836 466 A 76 LYS HDy A 73 PRO HBx 1.0 . 4.49 837 467 A 74 HIS HD2 A 75 LEU HDx% 1.0 . 4.40 838 467 A 75 LEU HDy% A 74 HIS HD2 1.0 . 4.40 839 468 A 74 HIS HE1 A 75 LEU HDx% 1.0 . 4.60 840 468 A 75 LEU HDy% A 74 HIS HE1 1.0 . 4.60 841 469 A 75 LEU H A 74 HIS HBx 1.0 . 4.54 842 469 A 75 LEU H A 74 HIS HBy 1.0 . 4.54 843 470 A 76 LYS H A 74 HIS HA 1.0 . 4.42 844 471 A 74 HIS HA A 77 THR H 1.0 . 3.96 845 472 A 74 HIS HA A 77 THR HB 1.0 . 3.94 846 473 A 74 HIS HA A 77 THR HG2% 1.0 . 5.10 847 474 A 77 THR H A 74 HIS HBx 1.0 . 5.50 848 474 A 74 HIS HBy A 77 THR H 1.0 . 5.50 849 475 A 77 THR HB A 74 HIS HBx 1.0 . 4.82 850 475 A 74 HIS HBy A 77 THR HB 1.0 . 4.82 851 476 A 76 LYS H A 75 LEU H 1.0 . 3.64 852 477 A 75 LEU H A 77 THR H 1.0 . 4.43 853 478 A 75 LEU HA A 78 GLN HGy 1.0 . 4.50 854 478 A 78 GLN HGx A 75 LEU HA 1.0 . 4.50 855 479 A 75 LEU HA A 78 GLN HBx 1.0 . 3.73 856 479 A 78 GLN HBy A 75 LEU HA 1.0 . 3.73 857 480 A 78 GLN H A 75 LEU HDx% 1.0 . 4.52 858 480 A 75 LEU HDy% A 78 GLN H 1.0 . 4.52 859 481 A 75 LEU HDx% A 78 GLN HGy 1.0 . 4.31 860 481 A 75 LEU HDy% A 78 GLN HGy 1.0 . 4.31 861 481 A 78 GLN HGx A 75 LEU HDx% 1.0 . 4.31 862 481 A 75 LEU HDy% A 78 GLN HGx 1.0 . 4.31 863 482 A 75 LEU HDx% A 78 GLN HBx 1.0 . 3.59 864 482 A 75 LEU HDy% A 78 GLN HBx 1.0 . 3.59 865 482 A 78 GLN HBy A 75 LEU HDx% 1.0 . 3.59 866 482 A 75 LEU HDy% A 78 GLN HBy 1.0 . 3.59 867 483 A 76 LYS H A 77 THR H 1.0 . 3.67 868 484 A 77 THR H A 76 LYS HBx 1.0 . 3.71 869 484 A 76 LYS HBy A 77 THR H 1.0 . 3.71 870 485 A 78 GLN H A 76 LYS HA 1.0 . 4.79 871 486 A 76 LYS HA A 79 LEU H 1.0 . 4.56 872 487 A 76 LYS HA A 79 LEU HA 1.0 . 5.50 873 488 A 76 LYS HA A 79 LEU HBx 1.0 . 4.11 874 488 A 76 LYS HA A 79 LEU HBy 1.0 . 4.11 875 489 A 76 LYS HA A 79 LEU HDx% 1.0 . 4.51 876 489 A 79 LEU HDy% A 76 LYS HA 1.0 . 4.51 877 490 A 76 LYS HA A 80 GLU H 1.0 . 4.49 878 491 A 78 GLN H A 77 THR H 1.0 . 3.59 879 492 A 78 GLN H A 77 THR HG2% 1.0 . 3.57 880 493 A 80 GLU H A 77 THR HA 1.0 . 3.78 881 494 A 77 THR HA A 80 GLU HBy 1.0 . 3.91 882 494 A 77 THR HA A 80 GLU HBx 1.0 . 3.91 883 495 A 77 THR HA A 80 GLU HGy 1.0 . 4.71 884 495 A 80 GLU HGx A 77 THR HA 1.0 . 4.71 885 496 A 80 GLU H A 77 THR HG2% 1.0 . 4.70 886 497 A 77 THR HB A 81 ILE HD1% 1.0 . 5.32 887 498 A 77 THR HG2% A 81 ILE HG1x 1.0 . 4.35 888 498 A 77 THR HG2% A 81 ILE HG1y 1.0 . 4.35 889 499 A 77 THR HG2% A 81 ILE HD1% 1.0 . 3.01 890 500 A 77 THR HG2% A 81 ILE HG2% 1.0 . 4.78 891 501 A 78 GLN H A 79 LEU H 1.0 . 3.55 892 502 A 79 LEU H A 78 GLN HBx 1.0 . 3.72 893 502 A 78 GLN HBy A 79 LEU H 1.0 . 3.72 894 503 A 78 GLN H A 80 GLU H 1.0 . 4.61 895 504 A 78 GLN HA A 81 ILE HB 1.0 . 3.66 896 505 A 81 ILE HD1% A 78 GLN HA 1.0 . 3.54 897 506 A 81 ILE HG2% A 78 GLN HA 1.0 . 4.19 898 507 A 81 ILE HB A 78 GLN HGy 1.0 . 5.50 899 507 A 78 GLN HGx A 81 ILE HB 1.0 . 5.50 900 508 A 81 ILE HD1% A 78 GLN HGy 1.0 . 5.33 901 508 A 78 GLN HGx A 81 ILE HD1% 1.0 . 5.33 902 509 A 81 ILE HD1% A 78 GLN HBx 1.0 . 4.84 903 509 A 78 GLN HBy A 81 ILE HD1% 1.0 . 4.84 904 510 A 78 GLN HA A 82 ASN H 1.0 . 4.25 905 511 A 80 GLU H A 79 LEU HBx 1.0 . 4.00 906 511 A 79 LEU HBy A 80 GLU H 1.0 . 4.00 907 512 A 80 GLU H A 79 LEU HDx% 1.0 . 4.08 908 512 A 79 LEU HDy% A 80 GLU H 1.0 . 4.08 909 513 A 79 LEU HA A 82 ASN H 1.0 . 3.97 910 514 A 79 LEU HA A 82 ASN HBx 1.0 . 3.88 911 514 A 79 LEU HA A 82 ASN HBy 1.0 . 3.88 912 515 A 79 LEU HDy% A 82 ASN HBx 1.0 . 4.89 913 515 A 79 LEU HDx% A 82 ASN HBx 1.0 . 4.89 914 515 A 82 ASN HBy A 79 LEU HDx% 1.0 . 4.89 915 515 A 79 LEU HDy% A 82 ASN HBy 1.0 . 4.89 916 516 A 81 ILE H A 80 GLU HBy 1.0 . 4.09 917 516 A 80 GLU HBx A 81 ILE H 1.0 . 4.09 918 517 A 81 ILE H A 80 GLU HGy 1.0 . 4.84 919 517 A 80 GLU HGx A 81 ILE H 1.0 . 4.84 920 518 A 83 GLY H A 80 GLU HA 1.0 . 4.69 921 519 A 80 GLU HA A 84 ARG H 1.0 . 4.37 922 520 A 82 ASN H A 81 ILE H 1.0 . 3.49 923 521 A 81 ILE HB A 82 ASN H 1.0 . 3.43 924 522 A 82 ASN H A 81 ILE HG1x 1.0 . 4.27 925 522 A 81 ILE HG1y A 82 ASN H 1.0 . 4.27 926 523 A 81 ILE HG2% A 82 ASN H 1.0 . 3.95 927 524 A 81 ILE HG2% A 82 ASN HA 1.0 . 3.82 928 525 A 84 ARG H A 81 ILE HA 1.0 . 4.16 929 526 A 81 ILE HA A 84 ARG HBx 1.0 . 4.03 930 526 A 81 ILE HA A 84 ARG HBy 1.0 . 4.03 931 527 A 81 ILE HG2% A 84 ARG H 1.0 . 5.27 932 528 A 83 GLY H A 82 ASN H 1.0 . 3.86 933 529 A 83 GLY H A 82 ASN HBx 1.0 . 3.90 934 529 A 83 GLY H A 82 ASN HBy 1.0 . 3.90 935 530 A 82 ASN H A 84 ARG H 1.0 . 4.80 936 531 A 84 ARG H A 82 ASN HA 1.0 . 5.01 937 532 A 83 GLY H A 84 ARG H 1.0 . 3.76 938 533 A 83 GLY H A 85 ASN H 1.0 . 4.48 939 534 A 83 GLY HAx A 86 ASN HBy 1.0 . 4.90 940 534 A 83 GLY HAy A 86 ASN HBy 1.0 . 4.90 941 534 A 86 ASN HBx A 83 GLY HAy 1.0 . 4.90 942 534 A 83 GLY HAx A 86 ASN HBx 1.0 . 4.90 943 535 A 86 ASN H A 83 GLY HAy 1.0 . 4.19 944 535 A 83 GLY HAx A 86 ASN H 1.0 . 4.19 945 536 A 84 ARG H A 85 ASN H 1.0 . 3.44 946 537 A 85 ASN H A 84 ARG HA 1.0 . 3.56 947 538 A 85 ASN H A 84 ARG HBx 1.0 . 3.76 948 538 A 84 ARG HBy A 85 ASN H 1.0 . 3.76 949 539 A 85 ASN H A 84 ARG HGx 1.0 . 4.38 950 539 A 85 ASN H A 84 ARG HGy 1.0 . 4.38 951 540 A 86 ASN H A 84 ARG HA 1.0 . 4.68 952 541 A 86 ASN H A 84 ARG HBx 1.0 . 5.05 953 541 A 84 ARG HBy A 86 ASN H 1.0 . 5.05 954 542 A 84 ARG HA A 87 LEU H 1.0 . 3.95 955 543 A 84 ARG HA A 87 LEU HBy 1.0 . 5.50 956 543 A 84 ARG HA A 87 LEU HBx 1.0 . 5.50 957 544 A 84 ARG HA A 87 LEU HDy% 1.0 . 4.82 958 544 A 84 ARG HA A 87 LEU HDx% 1.0 . 4.82 959 545 A 87 LEU H A 84 ARG HBx 1.0 . 4.84 960 545 A 84 ARG HBy A 87 LEU H 1.0 . 4.84 961 546 A 84 ARG HGy A 87 LEU HDy% 1.0 . 3.77 962 546 A 84 ARG HGx A 87 LEU HDy% 1.0 . 3.77 963 546 A 87 LEU HDx% A 84 ARG HGx 1.0 . 3.77 964 546 A 84 ARG HGy A 87 LEU HDx% 1.0 . 3.77 965 547 A 85 ASN H A 86 ASN H 1.0 . 3.45 966 548 A 86 ASN H A 85 ASN HBx 1.0 . 3.52 967 548 A 86 ASN H A 85 ASN HBy 1.0 . 3.52 968 549 A 85 ASN H A 87 LEU H 1.0 . 4.40 969 550 A 85 ASN HA A 88 ILE HD1% 1.0 . 3.52 970 551 A 85 ASN HA A 88 ILE HG1y 1.0 . 3.75 971 551 A 85 ASN HA A 88 ILE HG1x 1.0 . 3.75 972 552 A 85 ASN HA A 88 ILE HB 1.0 . 3.50 973 553 A 85 ASN HA A 88 ILE HG2% 1.0 . 5.14 974 554 A 88 ILE HD1% A 85 ASN HBx 1.0 . 4.64 975 554 A 85 ASN HBy A 88 ILE HD1% 1.0 . 4.64 976 555 A 86 ASN H A 87 LEU H 1.0 . 3.29 977 556 A 87 LEU H A 86 ASN HBy 1.0 . 3.56 978 556 A 86 ASN HBx A 87 LEU H 1.0 . 3.56 979 557 A 87 LEU H A 88 ILE H 1.0 . 4.18 980 558 A 88 ILE H A 87 LEU HA 1.0 . 4.26 981 559 A 88 ILE H A 87 LEU HBy 1.0 . 4.10 982 559 A 87 LEU HBx A 88 ILE H 1.0 . 4.10 983 560 A 88 ILE H A 87 LEU HDy% 1.0 . 4.20 984 560 A 87 LEU HDx% A 88 ILE H 1.0 . 4.20 985 561 A 88 ILE HA A 89 GLN H 1.0 . 4.85 986 562 A 88 ILE HB A 89 GLN H 1.0 . 4.63 987 563 A 88 ILE HG2% A 89 GLN H 1.0 . 3.75 988 564 A 89 GLN HA A 90 GLN H 1.0 . 2.75 989 565 A 91 LYS HA A 92 ASN H 1.0 . 3.77 990 566 A 92 ASN H A 91 LYS HBy 1.0 . 3.51 991 566 A 92 ASN H A 91 LYS HBx 1.0 . 3.51 992 567 A 92 ASN H A 91 LYS HGy 1.0 . 4.14 993 567 A 92 ASN H A 91 LYS HGx 1.0 . 4.14 stop_ save_ save_DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type undefined save_ save_DYANA/DIANA_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_6 _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 B 102 U H2' A 9 ARG HDx 1.0 . 4.2 2 1 B 102 U H2' A 9 ARG HDy 1.0 . 4.2 3 2 B 102 U H3' A 9 ARG HDx 1.0 . 5.5 4 2 A 9 ARG HDy B 102 U H3' 1.0 . 5.5 5 3 B 102 U H4' A 9 ARG HDx 1.0 . 5.5 6 3 A 9 ARG HDy B 102 U H4' 1.0 . 5.5 7 4 B 102 U H1' A 9 ARG HDx 1.0 . 4.7 8 4 A 9 ARG HDy B 102 U H1' 1.0 . 4.7 9 5 B 102 U H5 A 9 ARG HDx 1.0 . 4.0 10 5 B 102 U H5 A 9 ARG HDy 1.0 . 4.0 11 6 B 102 U H6 A 9 ARG HDx 1.0 . 4.2 12 6 B 102 U H6 A 9 ARG HDy 1.0 . 4.2 13 7 B 102 U H1' A 9 ARG HGx 1.0 . 5.0 14 7 A 9 ARG HGy B 102 U H1' 1.0 . 5.0 15 8 B 102 U H5 A 9 ARG HGx 1.0 . 5.5 16 8 B 102 U H5 A 9 ARG HGy 1.0 . 5.5 17 9 B 102 U H6 A 9 ARG HGx 1.0 . 5.0 18 9 B 102 U H6 A 9 ARG HGy 1.0 . 5.0 19 10 B 102 U H2' A 9 ARG HE 1.0 . 4.0 20 11 B 102 U H3' A 9 ARG HE 1.0 . 4.5 21 12 B 102 U H5 A 9 ARG HBx 1.0 . 5.0 22 12 B 102 U H5 A 9 ARG HBy 1.0 . 5.0 23 13 B 102 U H1' A 9 ARG HBx 1.0 . 5.0 24 13 A 9 ARG HBy B 102 U H1' 1.0 . 5.0 25 14 B 102 U H5 A 11 THR HG2% 1.0 . 5.0 26 15 B 101 C H5 A 11 THR HG2% 1.0 . 5.0 27 16 A 13 TRP HE1 B 102 U O2' 1.0 . 2.6 28 17 B 102 U O2' A 13 TRP NE1 1.0 . 3.5 29 18 A 13 TRP HE1 B 102 U H1' 1.0 . 3.5 30 19 A 13 TRP HH2 B 103 U H1' 1.0 . 4.5 31 20 A 13 TRP HH2 B 102 U H1' 1.0 . 4.5 32 21 A 13 TRP HZ2 B 103 U H6 1.0 . 5.0 33 22 A 13 TRP HZ2 B 103 U H5 1.0 . 5.5 34 23 A 13 TRP HZ2 B 102 U H1' 1.0 . 4.5 35 24 A 13 TRP HZ2 B 103 U H1' 1.0 . 4.5 36 25 A 13 TRP HH2 B 103 U H6 1.0 . 5.0 37 26 B 102 U H6 A 14 LEU HDx% 1.0 . 4.2 38 27 A 14 LEU HDx% B 102 U H1' 1.0 . 4.2 39 28 B 102 U H5 A 14 LEU HDx% 1.0 . 4.2 40 29 B 101 C H5 A 14 LEU HDx% 1.0 . 4.2 41 30 A 14 LEU HDx% B 101 C H2' 1.0 . 5.0 42 31 A 14 LEU HDy% B 102 U H1' 1.0 . 5.5 43 32 A 14 LEU HDy% B 101 C H2' 1.0 . 5.0 44 33 B 101 C H5 A 51 ILE HG2% 1.0 . 5.0 45 34 A 54 PHE HDx B 101 C H1' 1.0 . 5.0 46 35 B 101 C H2' A 54 PHE HDx 1.0 . 4.5 47 36 A 54 PHE HBx B 101 C H1' 1.0 . 5.0 48 37 A 54 PHE HBx B 101 C H2' 1.0 . 4.0 49 38 B 101 C H3' A 54 PHE HBx 1.0 . 5.0 50 39 A 55 ASP H B 101 C O2 1.0 . 2.5 51 40 A 52 ALA O B 101 C N4 1.0 . 3.1 52 41 A 54 PHE H B 101 C N3 1.0 . 2.1 53 42 B 101 C N3 A 54 PHE N 1.0 . 3.1 54 43 B 100 G H1' A 63 ARG HGx 1.0 . 5.0 55 43 A 63 ARG HGy B 100 G H1' 1.0 . 5.0 56 44 B 100 G H8 A 67 LYS HEy 1.0 . 3.5 57 44 B 100 G H8 A 67 LYS HEx 1.0 . 3.5 58 45 B 100 G H2' A 67 LYS HEy 1.0 . 4.2 59 45 B 100 G H2' A 67 LYS HEx 1.0 . 4.2 60 46 B 100 G H8 A 68 TYR HEx 1.0 . 5.5 61 47 B 100 G H8 A 68 TYR HEy 1.0 . 3.5 62 48 B 100 G H2' A 68 TYR HEy 1.0 . 3.5 63 49 B 101 C H1' A 68 TYR HEy 1.0 . 5.5 64 50 B 101 C H6 A 68 TYR HEy 1.0 . 5.0 65 51 A 68 TYR HDx B 101 C H1' 1.0 . 5.5 66 51 B 101 C H1' A 68 TYR HDy 1.0 . 5.5 67 52 B 100 G H1' A 68 TYR HEx 1.0 . 5.0 68 52 B 100 G H1' A 68 TYR HEy 1.0 . 5.0 69 53 B 100 G H2' A 68 TYR HEy 1.0 . 5.0 70 53 B 100 G H2' A 68 TYR HEx 1.0 . 5.0 71 54 B 101 C H5 A 68 TYR HEx 1.0 . 5.0 72 54 B 101 C H5 A 68 TYR HEy 1.0 . 5.0 73 55 B 99 C H5 A 44 GLN HBx 1.0 . 5.0 74 55 A 44 GLN HBy B 99 C H5 1.0 . 5.0 75 56 B 99 C H5 A 46 GLU HBx 1.0 . 5.0 76 56 A 46 GLU HBy B 99 C H5 1.0 . 5.0 77 57 A 87 LEU HDx% B 103 U H6 1.0 . 4.2 78 58 A 87 LEU HDx% B 104 U H6 1.0 . 4.2 79 59 A 87 LEU HDx% B 103 U H5 1.0 . 4.2 80 60 A 87 LEU HDx% B 104 U H5 1.0 . 4.2 81 61 A 87 LEU HDx% B 103 U H1' 1.0 . 4.2 82 62 A 87 LEU HDx% B 103 U H2' 1.0 . 3.5 83 63 A 87 LEU HDx% B 103 U H3' 1.0 . 3.5 84 64 A 87 LEU HDx% B 104 U H3' 1.0 . 5.0 85 65 A 87 LEU HDx% B 104 U H5' 1.0 . 5.0 86 66 B 103 U H6 A 87 LEU HDy% 1.0 . 5.0 87 67 B 103 U H5 A 87 LEU HDy% 1.0 . 4.0 88 68 B 104 U H5 A 87 LEU HDy% 1.0 . 4.0 89 69 B 103 U H1' A 87 LEU HDy% 1.0 . 4.2 90 70 B 103 U H2' A 87 LEU HDy% 1.0 . 3.0 91 71 B 103 U H3' A 87 LEU HDy% 1.0 . 4.2 92 72 B 104 U H3' A 87 LEU HDy% 1.0 . 5.0 93 73 B 104 U H5 A 84 ARG HDx 1.0 . 4.5 94 73 B 104 U H5 A 84 ARG HDy 1.0 . 4.5 95 74 B 104 U H3' A 84 ARG HDx 1.0 . 5.5 96 74 B 104 U H3' A 84 ARG HDy 1.0 . 5.5 97 75 A 84 ARG HA B 104 U H5 1.0 . 5.0 98 76 B 104 U H5 A 84 ARG HBx 1.0 . 5.0 99 76 A 84 ARG HBy B 104 U H5 1.0 . 5.0 100 77 B 104 U H5 A 84 ARG HGx 1.0 . 5.0 101 77 A 84 ARG HGy B 104 U H5 1.0 . 5.0 stop_ save_ save_DYANA/DIANA_distance_constraints_7 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_7 _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 15 THR H A 11 THR O 1.0 . 1.8 2 2 A 11 THR O A 15 THR N 1.0 . 2.8 3 3 A 16 LEU H A 50 VAL O 1.0 . 1.8 4 4 A 50 VAL O A 16 LEU N 1.0 . 2.8 5 5 A 18 VAL H A 48 GLY O 1.0 . 1.8 6 6 A 48 GLY O A 18 VAL N 1.0 . 2.8 7 7 A 19 CYS H A 37 ALA O 1.0 . 1.8 8 8 A 37 ALA O A 19 CYS N 1.0 . 2.8 9 9 A 37 ALA H A 17 GLU O 1.0 . 1.8 10 10 A 17 GLU O A 37 ALA N 1.0 . 2.8 11 11 A 49 ARG H A 46 GLU O 1.0 . 1.8 12 12 A 46 GLU O A 49 ARG N 1.0 . 2.8 13 13 A 50 VAL H A 16 LEU O 1.0 . 1.8 14 14 A 16 LEU O A 50 VAL N 1.0 . 2.8 15 15 A 52 ALA H A 14 LEU O 1.0 . 1.8 16 16 A 14 LEU O A 52 ALA N 1.0 . 2.8 17 17 A 53 CYS H A 69 LEU O 1.0 . 1.8 18 18 A 69 LEU O A 53 CYS N 1.0 . 2.8 19 19 A 57 LEU H A 53 CYS O 1.0 . 1.8 20 20 A 53 CYS O A 57 LEU N 1.0 . 2.8 21 21 A 69 LEU H A 51 ILE O 1.0 . 1.8 22 22 A 51 ILE O A 69 LEU N 1.0 . 2.8 23 23 A 79 LEU H A 75 LEU O 1.0 . 1.8 24 24 A 75 LEU O A 79 LEU N 1.0 . 2.8 25 25 A 80 GLU H A 76 LYS O 1.0 . 1.8 26 26 A 76 LYS O A 80 GLU N 1.0 . 2.8 27 27 A 81 ILE H A 77 THR O 1.0 . 1.8 28 28 A 77 THR O A 81 ILE N 1.0 . 2.8 29 29 A 15 THR H A 11 THR O 1.0 . 2.1 30 30 A 11 THR O A 15 THR N 1.0 . 3.1 31 31 A 16 LEU H A 50 VAL O 1.0 . 2.1 32 32 A 50 VAL O A 16 LEU N 1.0 . 3.1 33 33 A 18 VAL H A 48 GLY O 1.0 . 2.1 34 34 A 48 GLY O A 18 VAL N 1.0 . 3.1 35 35 A 19 CYS H A 37 ALA O 1.0 . 2.1 36 36 A 37 ALA O A 19 CYS N 1.0 . 3.1 37 37 A 37 ALA H A 17 GLU O 1.0 . 2.1 38 38 A 17 GLU O A 37 ALA N 1.0 . 3.1 39 39 A 49 ARG H A 46 GLU O 1.0 . 2.1 40 40 A 46 GLU O A 49 ARG N 1.0 . 3.1 41 41 A 50 VAL H A 16 LEU O 1.0 . 2.1 42 42 A 16 LEU O A 50 VAL N 1.0 . 3.1 43 43 A 52 ALA H A 14 LEU O 1.0 . 2.1 44 44 A 14 LEU O A 52 ALA N 1.0 . 3.1 45 45 A 53 CYS H A 69 LEU O 1.0 . 2.1 46 46 A 69 LEU O A 53 CYS N 1.0 . 3.2 47 47 A 57 LEU H A 53 CYS O 1.0 . 2.1 48 48 A 53 CYS O A 57 LEU N 1.0 . 3.2 49 49 A 69 LEU H A 51 ILE O 1.0 . 2.1 50 50 A 51 ILE O A 69 LEU N 1.0 . 3.2 51 51 A 79 LEU H A 75 LEU O 1.0 . 2.1 52 52 A 75 LEU O A 79 LEU N 1.0 . 3.1 53 53 A 80 GLU H A 76 LYS O 1.0 . 2.1 54 54 A 76 LYS O A 80 GLU N 1.0 . 3.1 55 55 A 81 ILE H A 77 THR O 1.0 . 2.1 56 56 A 77 THR O A 81 ILE N 1.0 . 3.1 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 B 95 G O3' B 96 U P B 96 U O5' B 96 U C5' 1.0 -120.00 120.00 ALPHA 2 2 B 96 U P B 96 U O5' B 96 U C5' B 96 U C4' 1.0 140.00 220.00 BETA 3 3 B 96 U O5' B 96 U C5' B 96 U C4' B 96 U C3' 1.0 20.00 100.00 GAMMA 4 4 B 96 U C5' B 96 U C4' B 96 U C3' B 96 U O3' 1.0 55.00 190.00 DELTA 5 5 B 95 G C3' B 95 G O3' B 96 U P B 96 U O5' 1.0 -120.00 120.00 ZETA 6 6 B 97 C O3' B 98 U P B 98 U O5' B 98 U C5' 1.0 -120.00 120.00 ALPHA 7 7 B 98 U P B 98 U O5' B 98 U C5' B 98 U C4' 1.0 140.00 220.00 BETA 8 8 B 98 U O5' B 98 U C5' B 98 U C4' B 98 U C3' 1.0 20.00 100.00 GAMMA 9 9 B 98 U C5' B 98 U C4' B 98 U C3' B 98 U O3' 1.0 55.00 190.00 DELTA 10 10 B 97 C C3' B 97 C O3' B 98 U P B 98 U O5' 1.0 -120.00 120.00 ZETA 11 11 B 101 C O3' B 102 U P B 102 U O5' B 102 U C5' 1.0 -120.00 120.00 ALPHA 12 12 B 102 U P B 102 U O5' B 102 U C5' B 102 U C4' 1.0 140.00 220.00 BETA 13 13 B 102 U O5' B 102 U C5' B 102 U C4' B 102 U C3' 1.0 20.00 100.00 GAMMA 14 14 B 102 U C5' B 102 U C4' B 102 U C3' B 102 U O3' 1.0 55.00 190.00 DELTA 15 15 B 101 C C3' B 101 C O3' B 102 U P B 102 U O5' 1.0 -120.00 120.00 ZETA 16 16 B 102 U O3' B 103 U P B 103 U O5' B 103 U C5' 1.0 -120.00 120.00 ALPHA 17 17 B 103 U P B 103 U O5' B 103 U C5' B 103 U C4' 1.0 140.00 220.00 BETA 18 18 B 103 U O5' B 103 U C5' B 103 U C4' B 103 U C3' 1.0 20.00 100.00 GAMMA 19 19 B 103 U C5' B 103 U C4' B 103 U C3' B 103 U O3' 1.0 55.00 190.00 DELTA 20 20 B 102 U C3' B 102 U O3' B 103 U P B 103 U O5' 1.0 -120.00 120.00 ZETA 21 21 B 103 U O3' B 104 U P B 104 U O5' B 104 U C5' 1.0 -120.00 120.00 ALPHA 22 22 B 104 U P B 104 U O5' B 104 U C5' B 104 U C4' 1.0 140.00 220.00 BETA 23 23 B 104 U O5' B 104 U C5' B 104 U C4' B 104 U C3' 1.0 20.00 100.00 GAMMA 24 24 B 104 U C5' B 104 U C4' B 104 U C3' B 104 U O3' 1.0 55.00 190.00 DELTA 25 25 B 103 U C3' B 103 U O3' B 104 U P B 104 U O5' 1.0 -120.00 120.00 ZETA 26 26 B 104 U O3' B 105 U P B 105 U O5' B 105 U C5' 1.0 -120.00 120.00 ALPHA 27 27 B 105 U P B 105 U O5' B 105 U C5' B 105 U C4' 1.0 140.00 220.00 BETA 28 28 B 105 U O5' B 105 U C5' B 105 U C4' B 105 U C3' 1.0 20.00 100.00 GAMMA 29 29 B 105 U C5' B 105 U C4' B 105 U C3' B 105 U O3' 1.0 55.00 190.00 DELTA 30 30 B 104 U C3' B 104 U O3' B 105 U P B 105 U O5' 1.0 -120.00 120.00 ZETA 31 31 A 1 MET C A 2 ALA N A 2 ALA CA A 2 ALA C 1.0 -180.00 0.00 PHI 32 32 A 2 ALA C A 3 VAL N A 3 VAL CA A 3 VAL C 1.0 -180.00 0.00 PHI 33 33 A 3 VAL C A 4 SER N A 4 SER CA A 4 SER C 1.0 -180.00 0.00 PHI 34 34 A 4 SER C A 5 VAL N A 5 VAL CA A 5 VAL C 1.0 -180.00 0.00 PHI 35 35 A 5 VAL C A 6 THR N A 6 THR CA A 6 THR C 1.0 -104.30 -62.50 PHI 36 36 A 6 THR N A 6 THR CA A 6 THR C A 7 PRO N 1.0 106.50 150.20 PSI 37 37 A 7 PRO C A 8 ILE N A 8 ILE CA A 8 ILE C 1.0 -120.00 -80.00 PHI 38 38 A 8 ILE N A 8 ILE CA A 8 ILE C A 9 ARG N 1.0 100.00 160.00 PSI 39 39 A 8 ILE C A 9 ARG N A 9 ARG CA A 9 ARG C 1.0 -180.00 0.00 PHI 40 40 A 9 ARG N A 9 ARG CA A 9 ARG C A 10 ASP N 1.0 90.00 180.00 PSI 41 41 A 9 ARG C A 10 ASP N A 10 ASP CA A 10 ASP C 1.0 -180.00 0.00 PHI 42 42 A 10 ASP N A 10 ASP CA A 10 ASP C A 11 THR N 1.0 100.00 170.00 PSI 43 43 A 10 ASP C A 11 THR N A 11 THR CA A 11 THR C 1.0 -120.00 -38.00 PHI 44 44 A 11 THR C A 12 LYS N A 12 LYS CA A 12 LYS C 1.0 -100.00 -20.00 PHI 45 45 A 12 LYS N A 12 LYS CA A 12 LYS C A 13 TRP N 1.0 -60.00 20.00 PSI 46 46 A 12 LYS C A 13 TRP N A 13 TRP CA A 13 TRP C 1.0 -120.00 -20.00 PHI 47 47 A 13 TRP N A 13 TRP CA A 13 TRP C A 14 LEU N 1.0 -30.00 0.00 PSI 48 48 A 13 TRP C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -120.00 -60.00 PHI 49 49 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 THR N 1.0 -60.00 0.00 PSI 50 50 A 14 LEU C A 15 THR N A 15 THR CA A 15 THR C 1.0 -150.00 -80.00 PHI 51 51 A 15 THR N A 15 THR CA A 15 THR C A 16 LEU N 1.0 120.00 170.00 PSI 52 52 A 15 THR C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -150.00 -100.00 PHI 53 53 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 GLU N 1.0 135.00 180.00 PSI 54 54 A 16 LEU C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -125.00 -60.00 PHI 55 55 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 VAL N 1.0 115.00 160.00 PSI 56 56 A 17 GLU C A 18 VAL N A 18 VAL CA A 18 VAL C 1.0 -125.00 -70.00 PHI 57 57 A 18 VAL N A 18 VAL CA A 18 VAL C A 19 CYS N 1.0 105.00 140.00 PSI 58 58 A 19 CYS C A 20 ARG N A 20 ARG CA A 20 ARG C 1.0 -110.00 -50.00 PHI 59 59 A 20 ARG C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -80.00 -50.00 PHI 60 60 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 PHE N 1.0 -50.00 -15.00 PSI 61 61 A 21 GLU C A 22 PHE N A 22 PHE CA A 22 PHE C 1.0 -90.00 -50.00 PHI 62 62 A 22 PHE N A 22 PHE CA A 22 PHE C A 23 GLN N 1.0 -55.00 -10.00 PSI 63 63 A 22 PHE C A 23 GLN N A 23 GLN CA A 23 GLN C 1.0 -91.00 -48.90 PHI 64 64 A 23 GLN N A 23 GLN CA A 23 GLN C A 24 ARG N 1.0 -56.30 -16.30 PSI 65 65 A 23 GLN C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -120.00 -40.00 PHI 66 66 A 24 ARG N A 24 ARG CA A 24 ARG C A 25 GLY N 1.0 -60.00 0.00 PSI 67 67 A 24 ARG C A 25 GLY N A 25 GLY CA A 25 GLY C 1.0 40.00 80.00 PHI 68 68 A 25 GLY N A 25 GLY CA A 25 GLY C A 26 THR N 1.0 0.00 60.00 PSI 69 69 A 27 CYS C A 28 SER N A 28 SER CA A 28 SER C 1.0 -140.00 -55.00 PHI 70 70 A 28 SER N A 28 SER CA A 28 SER C A 29 ARG N 1.0 60.00 150.00 PSI 71 71 A 28 SER C A 29 ARG N A 29 ARG CA A 29 ARG C 1.0 -180.00 -65.00 PHI 72 72 A 29 ARG N A 29 ARG CA A 29 ARG C A 30 PRO N 1.0 90.00 170.00 PSI 73 73 A 30 PRO N A 30 PRO CA A 30 PRO C A 31 ASP N 1.0 120.00 160.00 PSI 74 74 A 31 ASP C A 32 THR N A 32 THR CA A 32 THR C 1.0 -130.00 -41.10 PHI 75 75 A 32 THR N A 32 THR CA A 32 THR C A 33 GLU N 1.0 -69.90 30.00 PSI 76 76 A 32 THR C A 33 GLU N A 33 GLU CA A 33 GLU C 1.0 -120.00 -80.00 PHI 77 77 A 33 GLU N A 33 GLU CA A 33 GLU C A 34 CYS N 1.0 -40.00 0.00 PSI 78 78 A 35 LYS C A 36 PHE N A 36 PHE CA A 36 PHE C 1.0 -155.00 -100.00 PHI 79 79 A 36 PHE N A 36 PHE CA A 36 PHE C A 37 ALA N 1.0 140.00 180.00 PSI 80 80 A 36 PHE C A 37 ALA N A 37 ALA CA A 37 ALA C 1.0 -140.00 -90.00 PHI 81 81 A 37 ALA N A 37 ALA CA A 37 ALA C A 38 HIS N 1.0 120.00 150.00 PSI 82 82 A 37 ALA C A 38 HIS N A 38 HIS CA A 38 HIS C 1.0 -120.00 -60.00 PHI 83 83 A 38 HIS N A 38 HIS CA A 38 HIS C A 39 PRO N 1.0 40.00 160.00 PSI 84 84 A 39 PRO N A 39 PRO CA A 39 PRO C A 40 SER N 1.0 135.00 165.00 PSI 85 85 A 39 PRO C A 40 SER N A 40 SER CA A 40 SER C 1.0 -105.44 -76.96 PHI 86 86 A 40 SER N A 40 SER CA A 40 SER C A 41 LYS N 1.0 134.72 182.29 PSI 87 87 A 40 SER C A 41 LYS N A 41 LYS CA A 41 LYS C 1.0 -85.13 -55.66 PHI 88 88 A 41 LYS N A 41 LYS CA A 41 LYS C A 42 SER N 1.0 -38.10 -17.85 PSI 89 89 A 41 LYS C A 42 SER N A 42 SER CA A 42 SER C 1.0 -91.64 -60.27 PHI 90 90 A 42 SER N A 42 SER CA A 42 SER C A 43 CYS N 1.0 -40.13 -3.51 PSI 91 91 A 43 CYS C A 44 GLN N A 44 GLN CA A 44 GLN C 1.0 -120.00 -60.00 PHI 92 92 A 44 GLN N A 44 GLN CA A 44 GLN C A 45 VAL N 1.0 40.00 150.00 PSI 93 93 A 44 GLN C A 45 VAL N A 45 VAL CA A 45 VAL C 1.0 -115.00 -55.00 PHI 94 94 A 45 VAL N A 45 VAL CA A 45 VAL C A 46 GLU N 1.0 110.00 145.00 PSI 95 95 A 45 VAL C A 46 GLU N A 46 GLU CA A 46 GLU C 1.0 -155.00 -90.00 PHI 96 96 A 46 GLU N A 46 GLU CA A 46 GLU C A 47 ASN N 1.0 115.00 160.00 PSI 97 97 A 46 GLU C A 47 ASN N A 47 ASN CA A 47 ASN C 1.0 40.00 60.00 PHI 98 98 A 47 ASN N A 47 ASN CA A 47 ASN C A 48 GLY N 1.0 32.00 52.00 PSI 99 99 A 47 ASN C A 48 GLY N A 48 GLY CA A 48 GLY C 1.0 75.00 100.00 PHI 100 100 A 48 GLY N A 48 GLY CA A 48 GLY C A 49 ARG N 1.0 0.00 40.00 PSI 101 101 A 48 GLY C A 49 ARG N A 49 ARG CA A 49 ARG C 1.0 -155.00 -90.00 PHI 102 102 A 49 ARG N A 49 ARG CA A 49 ARG C A 50 VAL N 1.0 135.00 170.00 PSI 103 103 A 49 ARG C A 50 VAL N A 50 VAL CA A 50 VAL C 1.0 -150.00 -120.00 PHI 104 104 A 50 VAL N A 50 VAL CA A 50 VAL C A 51 ILE N 1.0 120.00 160.00 PSI 105 105 A 50 VAL C A 51 ILE N A 51 ILE CA A 51 ILE C 1.0 -120.00 -40.00 PHI 106 106 A 51 ILE N A 51 ILE CA A 51 ILE C A 52 ALA N 1.0 110.00 135.00 PSI 107 107 A 51 ILE C A 52 ALA N A 52 ALA CA A 52 ALA C 1.0 -131.00 -75.00 PHI 108 108 A 52 ALA N A 52 ALA CA A 52 ALA C A 53 CYS N 1.0 120.00 152.00 PSI 109 109 A 53 CYS C A 54 PHE N A 54 PHE CA A 54 PHE C 1.0 -75.00 -48.00 PHI 110 110 A 54 PHE N A 54 PHE CA A 54 PHE C A 55 ASP N 1.0 -60.00 -20.00 PSI 111 111 A 54 PHE C A 55 ASP N A 55 ASP CA A 55 ASP C 1.0 -75.00 -55.00 PHI 112 112 A 55 ASP N A 55 ASP CA A 55 ASP C A 56 SER N 1.0 -50.00 -30.00 PSI 113 113 A 55 ASP C A 56 SER N A 56 SER CA A 56 SER C 1.0 -76.00 -56.00 PHI 114 114 A 56 SER N A 56 SER CA A 56 SER C A 57 LEU N 1.0 -50.00 -30.00 PSI 115 115 A 56 SER C A 57 LEU N A 57 LEU CA A 57 LEU C 1.0 -75.00 -50.00 PHI 116 116 A 57 LEU N A 57 LEU CA A 57 LEU C A 58 LYS N 1.0 -33.00 -13.00 PSI 117 117 A 57 LEU C A 58 LYS N A 58 LYS CA A 58 LYS C 1.0 -105.00 -70.00 PHI 118 118 A 58 LYS N A 58 LYS CA A 58 LYS C A 59 GLY N 1.0 -10.00 20.00 PSI 119 119 A 58 LYS C A 59 GLY N A 59 GLY CA A 59 GLY C 1.0 50.00 90.00 PHI 120 120 A 59 GLY N A 59 GLY CA A 59 GLY C A 60 ARG N 1.0 0.00 45.00 PSI 121 121 A 61 CYS C A 62 SER N A 62 SER CA A 62 SER C 1.0 -160.00 -70.00 PHI 122 122 A 62 SER N A 62 SER CA A 62 SER C A 63 ARG N 1.0 20.00 150.00 PSI 123 123 A 62 SER C A 63 ARG N A 63 ARG CA A 63 ARG C 1.0 -130.00 -30.00 PHI 124 124 A 63 ARG N A 63 ARG CA A 63 ARG C A 64 GLU N 1.0 100.00 180.00 PSI 125 125 A 66 CYS C A 67 LYS N A 67 LYS CA A 67 LYS C 1.0 -134.00 -54.00 PHI 126 126 A 67 LYS C A 68 TYR N A 68 TYR CA A 68 TYR C 1.0 -150.00 -90.00 PHI 127 127 A 68 TYR N A 68 TYR CA A 68 TYR C A 69 LEU N 1.0 130.00 170.00 PSI 128 128 A 68 TYR C A 69 LEU N A 69 LEU CA A 69 LEU C 1.0 -145.00 -85.00 PHI 129 129 A 69 LEU N A 69 LEU CA A 69 LEU C A 70 HIS N 1.0 100.00 135.00 PSI 130 130 A 69 LEU C A 70 HIS N A 70 HIS CA A 70 HIS C 1.0 -120.00 -70.00 PHI 131 131 A 70 HIS N A 70 HIS CA A 70 HIS C A 71 PRO N 1.0 105.00 156.00 PSI 132 132 A 71 PRO N A 71 PRO CA A 71 PRO C A 72 PRO N 1.0 135.00 165.00 PSI 133 133 A 73 PRO N A 73 PRO CA A 73 PRO C A 74 HIS N 1.0 -46.00 -26.00 PSI 134 134 A 73 PRO C A 74 HIS N A 74 HIS CA A 74 HIS C 1.0 -98.00 -42.00 PHI 135 135 A 74 HIS N A 74 HIS CA A 74 HIS C A 75 LEU N 1.0 -66.00 6.00 PSI 136 136 A 74 HIS C A 75 LEU N A 75 LEU CA A 75 LEU C 1.0 -86.00 -46.00 PHI 137 137 A 75 LEU N A 75 LEU CA A 75 LEU C A 76 LYS N 1.0 -60.00 -20.00 PSI 138 138 A 75 LEU C A 76 LYS N A 76 LYS CA A 76 LYS C 1.0 -83.00 -43.00 PHI 139 139 A 76 LYS N A 76 LYS CA A 76 LYS C A 77 THR N 1.0 -61.00 -21.00 PSI 140 140 A 76 LYS C A 77 THR N A 77 THR CA A 77 THR C 1.0 -80.00 -40.00 PHI 141 141 A 77 THR N A 77 THR CA A 77 THR C A 78 GLN N 1.0 -63.00 -19.00 PSI 142 142 A 77 THR C A 78 GLN N A 78 GLN CA A 78 GLN C 1.0 -81.00 -41.00 PHI 143 143 A 78 GLN N A 78 GLN CA A 78 GLN C A 79 LEU N 1.0 -63.00 -23.00 PSI 144 144 A 78 GLN C A 79 LEU N A 79 LEU CA A 79 LEU C 1.0 -81.00 -41.00 PHI 145 145 A 79 LEU N A 79 LEU CA A 79 LEU C A 80 GLU N 1.0 -63.00 -17.00 PSI 146 146 A 79 LEU C A 80 GLU N A 80 GLU CA A 80 GLU C 1.0 -85.00 -45.00 PHI 147 147 A 80 GLU N A 80 GLU CA A 80 GLU C A 81 ILE N 1.0 -62.00 -22.00 PSI 148 148 A 80 GLU C A 81 ILE N A 81 ILE CA A 81 ILE C 1.0 -82.00 -42.00 PHI 149 149 A 81 ILE N A 81 ILE CA A 81 ILE C A 82 ASN N 1.0 -61.00 -21.00 PSI 150 150 A 81 ILE C A 82 ASN N A 82 ASN CA A 82 ASN C 1.0 -84.00 -44.00 PHI 151 151 A 82 ASN N A 82 ASN CA A 82 ASN C A 83 GLY N 1.0 -59.00 -19.00 PSI 152 152 A 82 ASN C A 83 GLY N A 83 GLY CA A 83 GLY C 1.0 -84.00 -44.00 PHI 153 153 A 83 GLY N A 83 GLY CA A 83 GLY C A 84 ARG N 1.0 -60.00 -20.00 PSI 154 154 A 83 GLY C A 84 ARG N A 84 ARG CA A 84 ARG C 1.0 -84.00 -44.00 PHI 155 155 A 84 ARG N A 84 ARG CA A 84 ARG C A 85 ASN N 1.0 -64.00 -24.00 PSI 156 156 A 84 ARG C A 85 ASN N A 85 ASN CA A 85 ASN C 1.0 -82.00 -42.00 PHI 157 157 A 85 ASN N A 85 ASN CA A 85 ASN C A 86 ASN N 1.0 -56.00 -8.00 PSI 158 158 A 85 ASN C A 86 ASN N A 86 ASN CA A 86 ASN C 1.0 -104.00 -60.00 PHI 159 159 A 86 ASN N A 86 ASN CA A 86 ASN C A 87 LEU N 1.0 -60.00 8.00 PSI 160 160 A 86 ASN C A 87 LEU N A 87 LEU CA A 87 LEU C 1.0 -100.00 -55.10 PHI 161 161 A 87 LEU N A 87 LEU CA A 87 LEU C A 88 ILE N 1.0 -51.20 0.00 PSI 162 162 A 87 LEU C A 88 ILE N A 88 ILE CA A 88 ILE C 1.0 -101.20 -64.20 PHI 163 163 A 88 ILE N A 88 ILE CA A 88 ILE C A 89 GLN N 1.0 -39.30 2.20 PSI 164 164 A 89 GLN C A 90 GLN N A 90 GLN CA A 90 GLN C 1.0 -70.00 -50.00 PHI 165 165 A 90 GLN N A 90 GLN CA A 90 GLN C A 91 LYS N 1.0 -48.30 -21.80 PSI 166 166 A 90 GLN C A 91 LYS N A 91 LYS CA A 91 LYS C 1.0 -88.60 -45.00 PHI 167 167 A 91 LYS N A 91 LYS CA A 91 LYS C A 92 ASN N 1.0 -46.60 0.00 PSI 168 168 A 16 LEU N A 16 LEU CA A 16 LEU CB A 16 LEU CG 1.0 -80.00 -40.00 CHI1 169 169 A 16 LEU CA A 16 LEU CB A 16 LEU CG A 16 LEU CD1 1.0 160.00 200.00 CHI2 170 170 A 18 VAL N A 18 VAL CA A 18 VAL CB A 18 VAL CG1 1.0 160.00 200.00 CHI1 171 171 A 50 VAL N A 50 VAL CA A 50 VAL CB A 50 VAL CG1 1.0 160.00 200.00 CHI1 stop_ save_