data_nef_c15430_2ju4 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2JU4 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 10 CYS SG 2 1 RCY C1S 1 21 CYS SG 2 2 RCY C1S 1 30 CYS SG 2 3 RCY C1S 1 38 CYS SG 2 4 RCY C1S 1 50 CYS SG 2 5 RCY C1S 1 60 CYS SG 2 6 RCY C1S 1 68 CYS SG 2 7 RCY C1S 1 73 CYS SG 2 8 RCY C1S 1 76 CYS SG 2 9 RCY C1S 1 87 CYS SG 2 10 RCY C1S 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 ASN middle . . 3 A 3 LEU middle . . 4 A 4 GLU middle . . 5 A 5 PRO middle . false 6 A 6 PRO middle . false 7 A 7 LYS middle . . 8 A 8 ALA middle . . 9 A 9 GLU middle . . 10 A 10 CYS middle -HG . 11 A 11 ARG middle . . 12 A 12 SER middle . . 13 A 13 ALA middle . . 14 A 14 THR middle . . 15 A 15 ARG middle . . 16 A 16 VAL middle . . 17 A 17 MET middle . . 18 A 18 GLY middle . false 19 A 19 GLY middle . false 20 A 20 PRO middle . false 21 A 21 CYS middle -HG . 22 A 22 THR middle . . 23 A 23 PRO middle . false 24 A 24 ARG middle . . 25 A 25 LYS middle . . 26 A 26 GLY middle . false 27 A 27 PRO middle . false 28 A 28 PRO middle . false 29 A 29 LYS middle . . 30 A 30 CYS middle -HG . 31 A 31 LYS middle . . 32 A 32 GLN middle . . 33 A 33 ARG middle . . 34 A 34 GLN middle . . 35 A 35 THR middle . . 36 A 36 ARG middle . . 37 A 37 GLN middle . . 38 A 38 CYS middle -HG . 39 A 39 LYS middle . . 40 A 40 SER middle . . 41 A 41 LYS middle . . 42 A 42 PRO middle . false 43 A 43 PRO middle . false 44 A 44 LYS middle . . 45 A 45 LYS middle . . 46 A 46 GLY middle . false 47 A 47 VAL middle . . 48 A 48 GLN middle . . 49 A 49 GLY middle . false 50 A 50 CYS middle -HG . 51 A 51 GLY middle . false 52 A 52 ASP middle . . 53 A 53 ASP middle . . 54 A 54 ILE middle . . 55 A 55 PRO middle . false 56 A 56 GLY middle . false 57 A 57 MET middle . . 58 A 58 GLU middle . . 59 A 59 GLY middle . false 60 A 60 CYS middle -HG . 61 A 61 GLY middle . false 62 A 62 THR middle . . 63 A 63 ASP middle . . 64 A 64 ILE middle . . 65 A 65 THR middle . . 66 A 66 VAL middle . . 67 A 67 ILE middle . . 68 A 68 CYS middle -HG . 69 A 69 PRO middle . false 70 A 70 TRP middle . . 71 A 71 GLU middle . . 72 A 72 ALA middle . . 73 A 73 CYS middle -HG . 74 A 74 ASN middle . . 75 A 75 HIS middle . . 76 A 76 CYS middle -HG . 77 A 77 GLU middle . . 78 A 78 LEU middle . . 79 A 79 HIS middle . . 80 A 80 GLU middle . . 81 A 81 LEU middle . . 82 A 82 ALA middle . . 83 A 83 GLN middle . . 84 A 84 TYR middle . . 85 A 85 GLY middle . false 86 A 86 ILE middle . . 87 A 87 CYS end -HG . 88 B 1 RCY . . . 89 B 2 RCY . . . 90 B 3 RCY . . . 91 B 4 RCY . . . 92 B 5 RCY . . . 93 B 6 RCY . . . 94 B 7 RCY . . . 95 B 8 RCY . . . 96 B 9 RCY . . . 97 B 10 RCY . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.143 0.05 A 1 MET HBy H 1 2.186 0.05 A 1 MET HGy H 1 2.588 0.05 A 1 MET C C 13 171.869 0.15 A 1 MET CA C 13 55.126 0.15 A 1 MET CB C 13 32.837 0.15 A 1 MET CG C 13 34.026 0.15 A 2 ASN H H 1 8.929 0.05 A 2 ASN HA H 1 4.808 0.05 A 2 ASN HBy H 1 2.771 0.05 A 2 ASN C C 13 174.442 0.15 A 2 ASN CA C 13 53.240 0.15 A 2 ASN CB C 13 38.969 0.15 A 2 ASN N N 15 122.491 0.15 A 3 LEU H H 1 8.501 0.05 A 3 LEU HA H 1 4.391 0.05 A 3 LEU HBx H 1 1.611 0.05 A 3 LEU HDx% H 1 0.878 0.05 A 3 LEU HDy% H 1 0.936 0.05 A 3 LEU C C 13 176.918 0.15 A 3 LEU CA C 13 55.132 0.15 A 3 LEU CB C 13 42.399 0.15 A 3 LEU CDx C 13 23.426 0.15 A 3 LEU CDy C 13 24.983 0.15 A 3 LEU N N 15 123.911 0.15 A 4 GLU H H 1 8.366 0.05 A 4 GLU CA C 13 53.784 0.15 A 4 GLU CB C 13 29.042 0.15 A 4 GLU N N 15 123.000 0.15 A 6 PRO HA H 1 4.418 0.05 A 6 PRO HBx H 1 2.196 0.05 A 6 PRO HBy H 1 2.250 0.05 A 6 PRO HDx H 1 3.859 0.05 A 6 PRO C C 13 176.966 0.15 A 6 PRO CA C 13 62.919 0.15 A 6 PRO CB C 13 32.158 0.15 A 6 PRO CG C 13 27.229 0.15 A 7 LYS H H 1 8.372 0.05 A 7 LYS HA H 1 4.270 0.05 A 7 LYS HBy H 1 1.814 0.05 A 7 LYS HDy H 1 1.739 0.05 A 7 LYS HEy H 1 3.014 0.05 A 7 LYS HGy H 1 1.473 0.05 A 7 LYS C C 13 176.435 0.15 A 7 LYS CA C 13 56.299 0.15 A 7 LYS CB C 13 33.165 0.15 A 7 LYS CD C 13 28.933 0.15 A 7 LYS CE C 13 40.230 0.15 A 7 LYS CG C 13 24.716 0.15 A 7 LYS N N 15 121.727 0.15 A 8 ALA H H 1 8.352 0.05 A 8 ALA HA H 1 4.317 0.05 A 8 ALA C C 13 177.527 0.15 A 8 ALA CA C 13 52.397 0.15 A 8 ALA CB C 13 19.340 0.15 A 8 ALA N N 15 125.285 0.15 A 9 GLU H H 1 8.397 0.05 A 9 GLU HA H 1 4.330 0.05 A 9 GLU HBy H 1 1.995 0.05 A 9 GLU HGx H 1 2.357 0.05 A 9 GLU C C 13 176.183 0.15 A 9 GLU CA C 13 56.014 0.15 A 9 GLU CB C 13 29.784 0.15 A 9 GLU CG C 13 34.679 0.15 A 9 GLU N N 15 120.598 0.15 A 10 ILE H H 1 8.289 0.05 A 10 ILE HA H 1 4.166 0.05 A 10 ILE HB H 1 1.880 0.05 A 10 ILE HD1% H 1 0.859 0.05 A 10 ILE HG1x H 1 1.214 0.05 A 10 ILE HG1y H 1 1.501 0.05 A 10 ILE HG2% H 1 0.913 0.05 A 10 ILE C C 13 176.308 0.15 A 10 ILE CA C 13 61.279 0.15 A 10 ILE CB C 13 38.666 0.15 A 10 ILE CD1 C 13 12.714 0.15 A 10 ILE CG1 C 13 27.278 0.15 A 10 ILE CG2 C 13 17.530 0.15 A 10 ILE N N 15 123.217 0.15 A 11 ARG H H 1 8.511 0.05 A 11 ARG HA H 1 4.412 0.05 A 11 ARG HBy H 1 1.811 0.05 A 11 ARG HDy H 1 3.204 0.05 A 11 ARG HGy H 1 1.641 0.05 A 11 ARG C C 13 176.192 0.15 A 11 ARG CA C 13 55.838 0.15 A 11 ARG CB C 13 30.942 0.15 A 11 ARG CD C 13 41.958 0.15 A 11 ARG CG C 13 27.206 0.15 A 11 ARG N N 15 125.820 0.15 A 12 SER H H 1 8.358 0.05 A 12 SER HA H 1 4.440 0.05 A 12 SER HBx H 1 3.874 0.05 A 12 SER C C 13 174.314 0.15 A 12 SER CA C 13 58.228 0.15 A 12 SER CB C 13 63.909 0.15 A 12 SER N N 15 117.445 0.15 A 13 ALA H H 1 8.477 0.05 A 13 ALA HA H 1 4.415 0.05 A 13 ALA HB% H 1 1.437 0.05 A 13 ALA C C 13 177.851 0.15 A 13 ALA CA C 13 52.717 0.15 A 13 ALA CB C 13 19.383 0.15 A 13 ALA N N 15 126.365 0.15 A 14 THR H H 1 8.156 0.05 A 14 THR HA H 1 4.297 0.05 A 14 THR HB H 1 4.193 0.05 A 14 THR HG2% H 1 1.219 0.05 A 14 THR C C 13 174.373 0.15 A 14 THR CA C 13 62.074 0.15 A 14 THR CB C 13 69.773 0.15 A 14 THR CG2 C 13 21.724 0.15 A 14 THR N N 15 113.921 0.15 A 15 ARG H H 1 8.350 0.05 A 15 ARG HA H 1 4.390 0.05 A 15 ARG HBy H 1 1.804 0.05 A 15 ARG HDy H 1 3.197 0.05 A 15 ARG HGy H 1 1.795 0.05 A 15 ARG HGx H 1 1.627 0.05 A 15 ARG C C 13 175.896 0.15 A 15 ARG CA C 13 56.053 0.15 A 15 ARG CB C 13 30.979 0.15 A 15 ARG CD C 13 43.415 0.15 A 15 ARG CG C 13 27.054 0.15 A 15 ARG N N 15 124.199 0.15 A 16 VAL H H 1 8.300 0.05 A 16 VAL HA H 1 4.103 0.05 A 16 VAL HB H 1 2.057 0.05 A 16 VAL HGy% H 1 0.949 0.05 A 16 VAL C C 13 176.195 0.15 A 16 VAL CA C 13 62.447 0.15 A 16 VAL CB C 13 32.808 0.15 A 16 VAL CGy C 13 20.752 0.15 A 16 VAL N N 15 122.659 0.15 A 17 MET H H 1 8.574 0.05 A 17 MET HA H 1 4.564 0.05 A 17 MET HBx H 1 2.082 0.05 A 17 MET HGy H 1 2.585 0.05 A 17 MET C C 13 176.459 0.15 A 17 MET CA C 13 55.320 0.15 A 17 MET CB C 13 32.894 0.15 A 17 MET CG C 13 33.756 0.15 A 17 MET N N 15 125.176 0.15 A 18 GLY H H 1 8.433 0.05 A 18 GLY HAx H 1 4.016 0.05 A 18 GLY C C 13 174.106 0.15 A 18 GLY CA C 13 45.264 0.15 A 18 GLY N N 15 110.462 0.15 A 19 GLY H H 1 8.173 0.05 A 19 GLY CA C 13 44.525 0.15 A 19 GLY N N 15 108.828 0.15 A 20 PRO HA H 1 4.486 0.05 A 20 PRO HBy H 1 2.276 0.05 A 20 PRO HBx H 1 1.972 0.05 A 20 PRO HDy H 1 3.651 0.05 A 20 PRO HGx H 1 1.637 0.05 A 20 PRO C C 13 177.267 0.15 A 20 PRO CA C 13 63.011 0.15 A 20 PRO CB C 13 31.981 0.15 A 20 PRO CD C 13 49.818 0.15 A 20 PRO CG C 13 27.083 0.15 A 21 VAL H H 1 8.376 0.05 A 21 VAL HA H 1 4.167 0.05 A 21 VAL HB H 1 1.962 0.05 A 21 VAL HGy% H 1 0.956 0.05 A 21 VAL C C 13 176.368 0.15 A 21 VAL CA C 13 62.522 0.15 A 21 VAL CB C 13 32.722 0.15 A 21 VAL CGy C 13 20.766 0.15 A 21 VAL N N 15 120.972 0.15 A 22 THR H H 1 8.329 0.05 A 22 THR HA H 1 4.617 0.05 A 22 THR HB H 1 4.128 0.05 A 22 THR HG2% H 1 1.258 0.05 A 22 THR CA C 13 59.721 0.15 A 22 THR CB C 13 69.854 0.15 A 22 THR CG2 C 13 21.613 0.15 A 22 THR N N 15 121.474 0.15 A 23 PRO HA H 1 4.329 0.05 A 23 PRO HBy H 1 2.322 0.05 A 23 PRO HBx H 1 1.932 0.05 A 23 PRO HDx H 1 3.739 0.05 A 23 PRO HDy H 1 3.947 0.05 A 23 PRO HGy H 1 2.318 0.05 A 23 PRO C C 13 176.721 0.15 A 23 PRO CA C 13 63.059 0.15 A 23 PRO CB C 13 32.064 0.15 A 23 PRO CD C 13 51.271 0.15 A 23 PRO CG C 13 27.290 0.15 A 24 ARG H H 1 8.463 0.05 A 24 ARG HA H 1 4.306 0.05 A 24 ARG HBy H 1 1.803 0.05 A 24 ARG HDy H 1 3.201 0.05 A 24 ARG HGy H 1 1.692 0.05 A 24 ARG C C 13 176.310 0.15 A 24 ARG CA C 13 56.017 0.15 A 24 ARG CB C 13 30.866 0.15 A 24 ARG CD C 13 43.373 0.15 A 24 ARG CG C 13 27.048 0.15 A 24 ARG N N 15 122.046 0.15 A 25 LYS H H 1 8.449 0.05 A 25 LYS HA H 1 4.388 0.05 A 25 LYS HBx H 1 1.817 0.05 A 25 LYS HDy H 1 1.740 0.05 A 25 LYS HEy H 1 3.000 0.05 A 25 LYS HGy H 1 1.471 0.05 A 25 LYS C C 13 176.606 0.15 A 25 LYS CA C 13 56.022 0.15 A 25 LYS CB C 13 33.369 0.15 A 25 LYS CE C 13 42.055 0.15 A 25 LYS CG C 13 24.727 0.15 A 25 LYS N N 15 123.599 0.15 A 26 GLY H H 1 8.331 0.05 A 26 GLY HAx H 1 3.993 0.05 A 26 GLY HAy H 1 4.200 0.05 A 26 GLY CA C 13 44.462 0.15 A 26 GLY N N 15 110.706 0.15 A 27 PRO HDy H 1 3.635 0.05 A 28 PRO HA H 1 4.407 0.05 A 28 PRO HBy H 1 2.254 0.05 A 28 PRO HDy H 1 3.667 0.05 A 28 PRO HGy H 1 2.235 0.05 A 28 PRO HGx H 1 1.784 0.05 A 28 PRO C C 13 176.597 0.15 A 28 PRO CA C 13 62.607 0.15 A 28 PRO CB C 13 32.228 0.15 A 28 PRO CD C 13 50.398 0.15 A 29 LYS H H 1 8.337 0.05 A 29 LYS HA H 1 4.230 0.05 A 29 LYS HBy H 1 1.687 0.05 A 29 LYS HDy H 1 1.389 0.05 A 29 LYS HEy H 1 2.988 0.05 A 29 LYS HGy H 1 1.449 0.05 A 29 LYS C C 13 176.282 0.15 A 29 LYS CA C 13 56.296 0.15 A 29 LYS CB C 13 33.166 0.15 A 29 LYS CD C 13 28.970 0.15 A 29 LYS CE C 13 42.081 0.15 A 29 LYS CG C 13 24.746 0.15 A 29 LYS N N 15 121.316 0.15 A 30 PHE H H 1 8.168 0.05 A 30 PHE HA H 1 4.651 0.05 A 30 PHE HBx H 1 3.016 0.05 A 30 PHE HBy H 1 3.112 0.05 A 30 PHE HDy H 1 7.222 0.05 A 30 PHE C C 13 175.376 0.15 A 30 PHE CA C 13 57.554 0.15 A 30 PHE CB C 13 39.988 0.15 A 30 PHE N N 15 121.014 0.15 A 31 LYS H H 1 8.299 0.05 A 31 LYS HA H 1 4.279 0.05 A 31 LYS HBx H 1 1.739 0.05 A 31 LYS HBy H 1 1.777 0.05 A 31 LYS HDx H 1 1.676 0.05 A 31 LYS HEy H 1 2.997 0.05 A 31 LYS HGy H 1 1.384 0.05 A 31 LYS C C 13 175.859 0.15 A 31 LYS CA C 13 56.141 0.15 A 31 LYS CB C 13 33.298 0.15 A 31 LYS CD C 13 29.069 0.15 A 31 LYS CE C 13 42.020 0.15 A 31 LYS CG C 13 24.741 0.15 A 31 LYS N N 15 123.741 0.15 A 32 GLN H H 1 8.386 0.05 A 32 GLN HA H 1 4.293 0.05 A 32 GLN HBy H 1 2.054 0.05 A 32 GLN HGy H 1 2.390 0.05 A 32 GLN C C 13 175.871 0.15 A 32 GLN CA C 13 55.849 0.15 A 32 GLN CB C 13 29.655 0.15 A 32 GLN CG C 13 33.699 0.15 A 32 GLN N N 15 122.348 0.15 A 33 ARG H H 1 8.534 0.05 A 33 ARG HA H 1 4.313 0.05 A 33 ARG HBy H 1 1.757 0.05 A 33 ARG HBx H 1 1.554 0.05 A 33 ARG HDx H 1 3.163 0.05 A 33 ARG HGy H 1 2.046 0.05 A 33 ARG HGx H 1 1.798 0.05 A 33 ARG C C 13 175.703 0.15 A 33 ARG CA C 13 56.149 0.15 A 33 ARG CB C 13 30.871 0.15 A 33 ARG CD C 13 43.370 0.15 A 33 ARG CG C 13 27.186 0.15 A 33 ARG N N 15 123.341 0.15 A 34 GLN H H 1 8.406 0.05 A 34 GLN HA H 1 4.450 0.05 A 34 GLN HBx H 1 2.078 0.05 A 34 GLN HGx H 1 2.372 0.05 A 34 GLN C C 13 176.039 0.15 A 34 GLN CA C 13 55.720 0.15 A 34 GLN CB C 13 29.752 0.15 A 34 GLN N N 15 121.810 0.15 A 35 THR H H 1 8.337 0.05 A 35 THR HA H 1 4.347 0.05 A 35 THR HB H 1 4.204 0.05 A 35 THR HG2% H 1 1.208 0.05 A 35 THR C C 13 174.392 0.15 A 35 THR CA C 13 61.966 0.15 A 35 THR CB C 13 69.947 0.15 A 35 THR CG2 C 13 21.749 0.15 A 35 THR N N 15 116.604 0.15 A 36 ARG H H 1 8.422 0.05 A 36 ARG HA H 1 4.311 0.05 A 36 ARG HBy H 1 1.826 0.05 A 36 ARG HDy H 1 3.175 0.05 A 36 ARG HGy H 1 1.657 0.05 A 36 ARG C C 13 176.134 0.15 A 36 ARG CA C 13 56.231 0.15 A 36 ARG CB C 13 30.935 0.15 A 36 ARG CD C 13 43.440 0.15 A 36 ARG CG C 13 27.151 0.15 A 36 ARG N N 15 123.461 0.15 A 37 GLN H H 1 8.567 0.05 A 37 GLN HA H 1 4.326 0.05 A 37 GLN HBy H 1 1.941 0.05 A 37 GLN HGy H 1 2.244 0.05 A 37 GLN C C 13 175.436 0.15 A 37 GLN CA C 13 55.746 0.15 A 37 GLN CB C 13 29.800 0.15 A 37 GLN CG C 13 33.678 0.15 A 37 GLN N N 15 122.436 0.15 A 38 PHE H H 1 8.373 0.05 A 38 PHE HA H 1 4.659 0.05 A 38 PHE HBx H 1 3.011 0.05 A 38 PHE HBy H 1 3.101 0.05 A 38 PHE C C 13 175.417 0.15 A 38 PHE CA C 13 57.615 0.15 A 38 PHE CB C 13 40.008 0.15 A 38 PHE N N 15 122.108 0.15 A 39 LYS H H 1 8.351 0.05 A 39 LYS HA H 1 4.344 0.05 A 39 LYS HBy H 1 1.768 0.05 A 39 LYS HDx H 1 1.697 0.05 A 39 LYS HEy H 1 2.992 0.05 A 39 LYS HGy H 1 1.403 0.05 A 39 LYS C C 13 176.057 0.15 A 39 LYS CA C 13 56.155 0.15 A 39 LYS CB C 13 33.311 0.15 A 39 LYS CD C 13 29.067 0.15 A 39 LYS CE C 13 42.081 0.15 A 39 LYS CG C 13 24.724 0.15 A 39 LYS N N 15 123.353 0.15 A 40 SER H H 1 8.266 0.05 A 40 SER HA H 1 4.421 0.05 A 40 SER HBy H 1 3.863 0.05 A 40 SER C C 13 173.967 0.15 A 40 SER CA C 13 58.744 0.15 A 40 SER CB C 13 64.110 0.15 A 40 SER N N 15 117.367 0.15 A 41 LYS H H 1 8.390 0.05 A 41 LYS HA H 1 4.632 0.05 A 41 LYS HBx H 1 1.830 0.05 A 41 LYS HDx H 1 1.710 0.05 A 41 LYS HGy H 1 1.481 0.05 A 41 LYS CA C 13 54.247 0.15 A 41 LYS CB C 13 32.683 0.15 A 41 LYS N N 15 123.953 0.15 A 43 PRO HA H 1 4.445 0.05 A 43 PRO HBy H 1 2.281 0.05 A 43 PRO C C 13 176.649 0.15 A 43 PRO CA C 13 62.768 0.15 A 43 PRO CB C 13 32.184 0.15 A 43 PRO CD C 13 50.437 0.15 A 44 LYS H H 1 8.318 0.05 A 44 LYS HA H 1 4.300 0.05 A 44 LYS HBy H 1 1.768 0.05 A 44 LYS HDx H 1 1.645 0.05 A 44 LYS C C 13 176.276 0.15 A 44 LYS CA C 13 56.269 0.15 A 44 LYS CB C 13 33.422 0.15 A 44 LYS CD C 13 29.157 0.15 A 44 LYS CG C 13 24.804 0.15 A 44 LYS N N 15 121.444 0.15 A 45 LYS H H 1 8.375 0.05 A 45 LYS HA H 1 4.273 0.05 A 45 LYS HBy H 1 1.794 0.05 A 45 LYS HDy H 1 1.723 0.05 A 45 LYS HEy H 1 2.994 0.05 A 45 LYS HGy H 1 1.433 0.05 A 45 LYS C C 13 176.928 0.15 A 45 LYS CA C 13 56.464 0.15 A 45 LYS CB C 13 33.228 0.15 A 45 LYS CD C 13 29.134 0.15 A 45 LYS CE C 13 42.028 0.15 A 45 LYS CG C 13 24.740 0.15 A 45 LYS N N 15 122.960 0.15 A 46 GLY H H 1 8.511 0.05 A 46 GLY HAx H 1 3.983 0.05 A 46 GLY C C 13 174.018 0.15 A 46 GLY CA C 13 45.209 0.15 A 46 GLY N N 15 111.019 0.15 A 47 VAL H H 1 8.057 0.05 A 47 VAL HA H 1 4.149 0.05 A 47 VAL HB H 1 2.091 0.05 A 47 VAL HGy% H 1 0.932 0.05 A 47 VAL C C 13 176.195 0.15 A 47 VAL CA C 13 62.319 0.15 A 47 VAL CB C 13 32.851 0.15 A 47 VAL CGy C 13 20.907 0.15 A 47 VAL N N 15 119.281 0.15 A 48 GLN H H 1 8.568 0.05 A 48 GLN HA H 1 4.324 0.05 A 48 GLN HBx H 1 1.995 0.05 A 48 GLN HBy H 1 2.046 0.05 A 48 GLN HGx H 1 2.352 0.05 A 48 GLN C C 13 176.263 0.15 A 48 GLN CA C 13 56.143 0.15 A 48 GLN CB C 13 29.505 0.15 A 48 GLN CG C 13 32.058 0.15 A 48 GLN N N 15 124.081 0.15 A 49 GLY H H 1 8.424 0.05 A 49 GLY HAx H 1 3.894 0.05 A 49 GLY HAy H 1 3.952 0.05 A 49 GLY C C 13 173.711 0.15 A 49 GLY CA C 13 45.103 0.15 A 49 GLY N N 15 110.389 0.15 A 50 PHE H H 1 8.222 0.05 A 50 PHE HA H 1 4.632 0.05 A 50 PHE HBx H 1 3.015 0.05 A 50 PHE HBy H 1 3.185 0.05 A 50 PHE C C 13 176.416 0.15 A 50 PHE CA C 13 58.008 0.15 A 50 PHE CB C 13 39.865 0.15 A 50 PHE N N 15 119.885 0.15 A 51 GLY H H 1 8.445 0.05 A 51 GLY HAx H 1 3.893 0.05 A 51 GLY C C 13 173.768 0.15 A 51 GLY CA C 13 45.326 0.15 A 51 GLY N N 15 110.652 0.15 A 52 ASP H H 1 8.228 0.05 A 52 ASP HA H 1 4.667 0.05 A 52 ASP HBx H 1 2.689 0.05 A 52 ASP HBy H 1 2.749 0.05 A 52 ASP C C 13 175.445 0.15 A 52 ASP CA C 13 53.943 0.15 A 52 ASP CB C 13 40.229 0.15 A 52 ASP N N 15 119.656 0.15 A 53 ASP H H 1 8.411 0.05 A 53 ASP HA H 1 4.653 0.05 A 53 ASP HBx H 1 2.673 0.05 A 53 ASP HBy H 1 2.752 0.05 A 53 ASP C C 13 175.200 0.15 A 53 ASP CA C 13 53.780 0.15 A 53 ASP CB C 13 39.873 0.15 A 53 ASP N N 15 119.590 0.15 A 54 ILE H H 1 8.032 0.05 A 54 ILE HA H 1 4.413 0.05 A 54 ILE HB H 1 1.884 0.05 A 54 ILE HD1% H 1 0.851 0.05 A 54 ILE HG1x H 1 1.147 0.05 A 54 ILE HG1y H 1 1.485 0.05 A 54 ILE HG2% H 1 0.917 0.05 A 54 ILE CA C 13 58.978 0.15 A 54 ILE CB C 13 38.687 0.15 A 54 ILE CD1 C 13 12.608 0.15 A 54 ILE CG1 C 13 27.250 0.15 A 54 ILE CG2 C 13 17.455 0.15 A 54 ILE N N 15 122.390 0.15 A 55 PRO HA H 1 4.362 0.05 A 55 PRO HBx H 1 1.921 0.05 A 55 PRO HBy H 1 2.286 0.05 A 55 PRO HDx H 1 3.673 0.05 A 55 PRO HDy H 1 3.880 0.05 A 55 PRO HGx H 1 1.976 0.05 A 55 PRO C C 13 177.916 0.15 A 55 PRO CA C 13 63.784 0.15 A 55 PRO CB C 13 32.024 0.15 A 55 PRO CD C 13 51.132 0.15 A 55 PRO CG C 13 27.334 0.15 A 56 GLY H H 1 8.500 0.05 A 56 GLY HAx H 1 3.983 0.05 A 56 GLY HAy H 1 4.044 0.05 A 56 GLY C C 13 174.624 0.15 A 56 GLY CA C 13 45.508 0.15 A 56 GLY N N 15 109.318 0.15 A 57 MET H H 1 8.150 0.05 A 57 MET HA H 1 4.524 0.05 A 57 MET HBx H 1 2.019 0.05 A 57 MET HBy H 1 2.134 0.05 A 57 MET HGy H 1 2.505 0.05 A 57 MET C C 13 176.438 0.15 A 57 MET CA C 13 55.636 0.15 A 57 MET CB C 13 32.886 0.15 A 57 MET CG C 13 32.058 0.15 A 57 MET N N 15 119.427 0.15 A 58 GLU H H 1 8.541 0.05 A 58 GLU HA H 1 4.330 0.05 A 58 GLU HBx H 1 2.005 0.05 A 58 GLU HBy H 1 2.105 0.05 A 58 GLU HGy H 1 2.409 0.05 A 58 GLU C C 13 176.724 0.15 A 58 GLU CA C 13 56.543 0.15 A 58 GLU CB C 13 29.179 0.15 A 58 GLU CG C 13 34.221 0.15 A 58 GLU N N 15 121.063 0.15 A 59 GLY H H 1 8.434 0.05 A 59 GLY HAx H 1 3.964 0.05 A 59 GLY C C 13 174.202 0.15 A 59 GLY CA C 13 45.435 0.15 A 59 GLY N N 15 109.529 0.15 A 60 LEU H H 1 8.124 0.05 A 60 LEU HA H 1 4.388 0.05 A 60 LEU HBx H 1 1.648 0.05 A 60 LEU HBy H 1 1.663 0.05 A 60 LEU HDy% H 1 0.907 0.05 A 60 LEU C C 13 177.670 0.15 A 60 LEU CA C 13 55.332 0.15 A 60 LEU CB C 13 42.514 0.15 A 60 LEU CDy C 13 23.502 0.15 A 60 LEU CG C 13 25.049 0.15 A 60 LEU N N 15 121.371 0.15 A 61 GLY H H 1 8.502 0.05 A 61 GLY HAx H 1 4.005 0.05 A 61 GLY C C 13 174.305 0.15 A 61 GLY CA C 13 45.453 0.15 A 61 GLY N N 15 109.384 0.15 A 62 THR H H 1 8.018 0.05 A 62 THR HA H 1 4.360 0.05 A 62 THR HB H 1 4.245 0.05 A 62 THR HG2% H 1 1.188 0.05 A 62 THR C C 13 174.282 0.15 A 62 THR CA C 13 62.009 0.15 A 62 THR CB C 13 69.598 0.15 A 62 THR CG2 C 13 21.748 0.15 A 62 THR N N 15 112.705 0.15 A 63 ASP H H 1 8.455 0.05 A 63 ASP HA H 1 4.712 0.05 A 63 ASP HBx H 1 2.701 0.05 A 63 ASP HBy H 1 2.826 0.05 A 63 ASP C C 13 175.870 0.15 A 63 ASP CA C 13 53.861 0.15 A 63 ASP CB C 13 40.008 0.15 A 63 ASP N N 15 122.094 0.15 A 64 ILE H H 1 8.115 0.05 A 64 ILE HA H 1 4.234 0.05 A 64 ILE HB H 1 1.913 0.05 A 64 ILE HD1% H 1 0.866 0.05 A 64 ILE HG1y H 1 1.433 0.05 A 64 ILE HG1x H 1 1.197 0.05 A 64 ILE HG2% H 1 0.905 0.05 A 64 ILE C C 13 176.258 0.15 A 64 ILE CA C 13 61.571 0.15 A 64 ILE CB C 13 38.784 0.15 A 64 ILE CD1 C 13 13.072 0.15 A 64 ILE CG1 C 13 27.147 0.15 A 64 ILE CG2 C 13 17.880 0.15 A 64 ILE N N 15 120.886 0.15 A 65 THR H H 1 8.286 0.05 A 65 THR HA H 1 4.309 0.05 A 65 THR HB H 1 4.173 0.05 A 65 THR HG2% H 1 1.194 0.05 A 65 THR C C 13 174.372 0.15 A 65 THR CA C 13 62.465 0.15 A 65 THR CB C 13 69.721 0.15 A 65 THR CG2 C 13 21.819 0.15 A 65 THR N N 15 117.887 0.15 A 66 VAL H H 1 8.027 0.05 A 66 VAL HA H 1 4.131 0.05 A 66 VAL HB H 1 2.064 0.05 A 66 VAL HGy% H 1 0.893 0.05 A 66 VAL C C 13 175.708 0.15 A 66 VAL CA C 13 62.383 0.15 A 66 VAL CB C 13 32.880 0.15 A 66 VAL CGy C 13 21.237 0.15 A 66 VAL N N 15 122.724 0.15 A 67 ILE H H 1 8.109 0.05 A 67 ILE HA H 1 4.128 0.05 A 67 ILE HB H 1 1.797 0.05 A 67 ILE HD1% H 1 0.801 0.05 A 67 ILE HG1y H 1 1.432 0.05 A 67 ILE HG1x H 1 1.143 0.05 A 67 ILE HG2% H 1 0.855 0.05 A 67 ILE C C 13 175.348 0.15 A 67 ILE CA C 13 60.884 0.15 A 67 ILE CB C 13 38.547 0.15 A 67 ILE CD1 C 13 12.936 0.15 A 67 ILE CG1 C 13 27.252 0.15 A 67 ILE CG2 C 13 17.583 0.15 A 67 ILE N N 15 124.336 0.15 A 68 ALA H H 1 8.239 0.05 A 68 ALA HA H 1 4.361 0.05 A 68 ALA HB% H 1 1.002 0.05 A 68 ALA CA C 13 50.582 0.15 A 68 ALA CB C 13 18.099 0.15 A 68 ALA N N 15 128.782 0.15 A 69 PRO HA H 1 4.309 0.05 A 69 PRO HBx H 1 1.919 0.05 A 69 PRO HBy H 1 2.276 0.05 A 69 PRO HDy H 1 3.681 0.05 A 69 PRO HDx H 1 3.502 0.05 A 69 PRO HGx H 1 2.011 0.05 A 69 PRO C C 13 177.117 0.15 A 69 PRO CA C 13 64.175 0.15 A 69 PRO CB C 13 31.824 0.15 A 69 PRO CD C 13 50.536 0.15 A 69 PRO CG C 13 27.488 0.15 A 70 TRP H H 1 7.556 0.05 A 70 TRP HA H 1 4.549 0.05 A 70 TRP HBx H 1 3.284 0.05 A 70 TRP HBy H 1 3.360 0.05 A 70 TRP HD1 H 1 7.177 0.05 A 70 TRP HE3 H 1 7.249 0.05 A 70 TRP C C 13 176.657 0.15 A 70 TRP CA C 13 57.975 0.15 A 70 TRP CB C 13 28.750 0.15 A 70 TRP N N 15 117.369 0.15 A 71 GLU H H 1 7.712 0.05 A 71 GLU HA H 1 4.148 0.05 A 71 GLU HBy H 1 1.882 0.05 A 71 GLU HBx H 1 1.749 0.05 A 71 GLU HGy H 1 2.038 0.05 A 71 GLU C C 13 175.911 0.15 A 71 GLU CA C 13 56.468 0.15 A 71 GLU CB C 13 29.123 0.15 A 71 GLU CG C 13 33.919 0.15 A 71 GLU N N 15 121.230 0.15 A 72 ALA H H 1 7.850 0.05 A 72 ALA HA H 1 4.100 0.05 A 72 ALA HB% H 1 1.261 0.05 A 72 ALA C C 13 177.794 0.15 A 72 ALA CA C 13 53.154 0.15 A 72 ALA CB C 13 19.035 0.15 A 72 ALA N N 15 123.092 0.15 A 73 PHE H H 1 7.935 0.05 A 73 PHE HA H 1 4.539 0.05 A 73 PHE HBy H 1 3.129 0.05 A 73 PHE HBx H 1 3.023 0.05 A 73 PHE HDx H 1 7.231 0.05 A 73 PHE HDy H 1 7.231 0.05 A 73 PHE C C 13 175.668 0.15 A 73 PHE CA C 13 57.985 0.15 A 73 PHE CB C 13 39.356 0.15 A 73 PHE N N 15 117.759 0.15 A 74 ASN H H 1 8.123 0.05 A 74 ASN HA H 1 4.603 0.05 A 74 ASN HBy H 1 2.731 0.05 A 74 ASN HD2x H 1 7.539 0.05 A 74 ASN C C 13 175.138 0.15 A 74 ASN CA C 13 53.364 0.15 A 74 ASN CB C 13 38.858 0.15 A 74 ASN N N 15 118.751 0.15 A 75 HIS H H 1 8.351 0.05 A 75 HIS HA H 1 4.594 0.05 A 75 HIS HBx H 1 3.219 0.05 A 75 HIS HBy H 1 3.310 0.05 A 75 HIS C C 13 174.628 0.15 A 75 HIS CA C 13 56.197 0.15 A 75 HIS CB C 13 28.695 0.15 A 75 HIS N N 15 118.017 0.15 A 76 LEU H H 1 8.166 0.05 A 76 LEU HA H 1 4.287 0.05 A 76 LEU HBx H 1 1.568 0.05 A 76 LEU HBy H 1 1.642 0.05 A 76 LEU HDx% H 1 0.863 0.05 A 76 LEU HDy% H 1 0.900 0.05 A 76 LEU C C 13 177.284 0.15 A 76 LEU CA C 13 55.995 0.15 A 76 LEU CB C 13 42.241 0.15 A 76 LEU CDx C 13 23.706 0.15 A 76 LEU CDy C 13 24.084 0.15 A 76 LEU N N 15 122.091 0.15 A 77 GLU H H 1 8.380 0.05 A 77 GLU HA H 1 4.291 0.05 A 77 GLU HBx H 1 1.961 0.05 A 77 GLU HBy H 1 2.051 0.05 A 77 GLU HGx H 1 2.338 0.05 A 77 GLU HGy H 1 2.389 0.05 A 77 GLU C C 13 176.423 0.15 A 77 GLU CA C 13 56.257 0.15 A 77 GLU CB C 13 28.981 0.15 A 77 GLU CG C 13 34.114 0.15 A 77 GLU N N 15 120.837 0.15 A 78 LEU H H 1 8.161 0.05 A 78 LEU HA H 1 4.227 0.05 A 78 LEU HBy H 1 1.628 0.05 A 78 LEU HBx H 1 1.515 0.05 A 78 LEU HDx% H 1 0.862 0.05 A 78 LEU HDy% H 1 0.898 0.05 A 78 LEU C C 13 177.684 0.15 A 78 LEU CA C 13 56.075 0.15 A 78 LEU CB C 13 42.175 0.15 A 78 LEU CDx C 13 23.370 0.15 A 78 LEU CDy C 13 24.879 0.15 A 78 LEU CG C 13 27.106 0.15 A 78 LEU N N 15 122.038 0.15 A 79 HIS H H 1 8.480 0.05 A 79 HIS HA H 1 4.620 0.05 A 79 HIS HBx H 1 3.218 0.05 A 79 HIS HBy H 1 3.294 0.05 A 79 HIS C C 13 174.786 0.15 A 79 HIS CA C 13 56.072 0.15 A 79 HIS CB C 13 28.589 0.15 A 79 HIS N N 15 118.005 0.15 A 80 GLU H H 1 8.318 0.05 A 80 GLU HA H 1 4.299 0.05 A 80 GLU HBx H 1 2.086 0.05 A 80 GLU HBy H 1 2.128 0.05 A 80 GLU HGy H 1 2.389 0.05 A 80 GLU C C 13 176.454 0.15 A 80 GLU CA C 13 56.595 0.15 A 80 GLU CB C 13 29.258 0.15 A 80 GLU CG C 13 34.127 0.15 A 80 GLU N N 15 120.559 0.15 A 81 LEU H H 1 8.237 0.05 A 81 LEU HA H 1 4.279 0.05 A 81 LEU HBy H 1 1.651 0.05 A 81 LEU HDx% H 1 0.905 0.05 A 81 LEU HDy% H 1 0.867 0.05 A 81 LEU C C 13 177.649 0.15 A 81 LEU CA C 13 55.817 0.15 A 81 LEU CB C 13 42.277 0.15 A 81 LEU CDy C 13 25.030 0.15 A 81 LEU CDx C 13 23.456 0.15 A 81 LEU CG C 13 26.871 0.15 A 81 LEU N N 15 122.214 0.15 A 82 ALA H H 1 8.174 0.05 A 82 ALA HA H 1 4.223 0.05 A 82 ALA HB% H 1 1.368 0.05 A 82 ALA C C 13 178.146 0.15 A 82 ALA CA C 13 53.229 0.15 A 82 ALA CB C 13 19.012 0.15 A 82 ALA N N 15 123.669 0.15 A 83 GLN H H 1 8.135 0.05 A 83 GLN HA H 1 4.199 0.05 A 83 GLN HBy H 1 1.895 0.05 A 83 GLN HE2x H 1 7.409 0.05 A 83 GLN HGy H 1 2.123 0.05 A 83 GLN C C 13 175.844 0.15 A 83 GLN CA C 13 56.333 0.15 A 83 GLN CB C 13 29.342 0.15 A 83 GLN CG C 13 33.632 0.15 A 83 GLN N N 15 118.285 0.15 A 83 GLN NE2 N 15 111.925 0.15 A 84 TYR H H 1 8.065 0.05 A 84 TYR HA H 1 4.608 0.05 A 84 TYR HBx H 1 2.922 0.05 A 84 TYR HBy H 1 3.178 0.05 A 84 TYR HDx H 1 7.116 0.05 A 84 TYR HDy H 1 7.116 0.05 A 84 TYR C C 13 176.223 0.15 A 84 TYR CA C 13 57.949 0.15 A 84 TYR CB C 13 38.922 0.15 A 84 TYR N N 15 119.594 0.15 A 85 GLY H H 1 8.198 0.05 A 85 GLY HAy H 1 3.925 0.05 A 85 GLY HAx H 1 3.879 0.05 A 85 GLY C C 13 173.608 0.15 A 85 GLY CA C 13 45.601 0.15 A 85 GLY N N 15 109.877 0.15 A 86 ILE H H 1 7.863 0.05 A 86 ILE HA H 1 4.286 0.05 A 86 ILE HB H 1 1.942 0.05 A 86 ILE HD1% H 1 0.855 0.05 A 86 ILE HG1y H 1 1.444 0.05 A 86 ILE HG1x H 1 1.173 0.05 A 86 ILE HG2% H 1 0.921 0.05 A 86 ILE C C 13 176.457 0.15 A 86 ILE CA C 13 61.002 0.15 A 86 ILE CB C 13 38.877 0.15 A 86 ILE CD1 C 13 12.950 0.15 A 86 ILE CG1 C 13 27.076 0.15 A 86 ILE CG2 C 13 17.689 0.15 A 86 ILE N N 15 120.133 0.15 A 87 ILE H H 1 7.855 0.05 A 87 ILE HA H 1 4.426 0.05 A 87 ILE HB H 1 2.018 0.05 A 87 ILE HD1% H 1 0.848 0.05 A 87 ILE HG1y H 1 1.433 0.05 A 87 ILE HG1x H 1 1.188 0.05 A 87 ILE HG2% H 1 0.895 0.05 A 87 ILE CA C 13 66.943 0.15 A 87 ILE CB C 13 39.016 0.15 A 87 ILE CD1 C 13 12.969 0.15 A 87 ILE CG1 C 13 27.193 0.15 A 87 ILE CG2 C 13 17.895 0.15 A 87 ILE N N 15 127.372 0.15 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type . save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 ASN H A 1 MET HA 1.0 0.0 5.59 2 2 A 3 LEU H A 2 ASN HA 1.0 0.0 4.78 3 3 A 2 ASN H A 2 ASN HA 1.0 0.0 3.96 4 4 A 4 GLU H A 3 LEU HA 1.0 0.0 4.10 5 5 A 3 LEU HBx A 3 LEU HDx% 1.0 0.0 5.30 6 6 A 3 LEU H A 3 LEU HA 1.0 0.0 5.71 7 7 A 3 LEU H A 3 LEU HBx 1.0 0.0 5.33 8 8 A 7 LYS H A 6 PRO HA 1.0 0.0 3.76 9 9 A 7 LYS H A 6 PRO HBy 1.0 0.0 5.58 10 10 A 8 ALA H A 7 LYS HA 1.0 0.0 3.41 11 11 A 8 ALA H A 7 LYS HBy 1.0 0.0 5.80 12 12 A 8 ALA H A 7 LYS HGy 1.0 0.0 5.80 13 13 A 7 LYS H A 7 LYS HA 1.0 0.0 4.68 14 14 A 7 LYS H A 7 LYS HEy 1.0 0.0 5.09 15 15 A 7 LYS H A 7 LYS HGy 1.0 0.0 5.54 16 16 A 9 GLU H A 8 ALA HA 1.0 0.0 3.60 17 17 A 9 GLU H A 8 ALA HB1 1.0 0.0 5.79 18 18 A 8 ALA H A 8 ALA HB1 1.0 0.0 4.65 19 19 A 9 GLU H A 9 GLU HBy 1.0 0.0 5.01 20 20 A 9 GLU H A 9 GLU HGx 1.0 0.0 5.80 21 21 A 11 ARG HA A 11 ARG HGy 1.0 0.0 4.08 22 22 A 12 SER H A 11 ARG HA 1.0 0.0 3.63 23 23 A 12 SER H A 11 ARG HGy 1.0 0.0 5.80 24 24 A 11 ARG H A 11 ARG HA 1.0 0.0 4.71 25 25 A 11 ARG H A 11 ARG HBy 1.0 0.0 4.96 26 26 A 11 ARG H A 11 ARG HGy 1.0 0.0 5.41 27 27 A 13 ALA H A 12 SER HBy 1.0 0.0 3.94 28 28 A 13 ALA H A 12 SER HBx 1.0 0.0 5.80 29 29 A 12 SER H A 12 SER HBx 1.0 0.0 5.19 30 30 A 14 THR H A 13 ALA HA 1.0 0.0 3.87 31 31 A 14 THR H A 13 ALA HB% 1.0 0.0 5.33 32 32 A 13 ALA H A 13 ALA HB% 1.0 0.0 4.44 33 33 A 13 ALA H A 14 THR HA 1.0 0.0 5.80 34 34 A 13 ALA H A 14 THR H 1.0 0.0 5.26 35 35 A 14 THR HA A 15 ARG HBy 1.0 0.0 5.80 36 36 A 15 ARG H A 14 THR HA 1.0 0.0 3.89 37 37 A 15 ARG H A 14 THR HB 1.0 0.0 5.80 38 38 A 15 ARG H A 14 THR HG2% 1.0 0.0 5.80 39 39 A 14 THR H A 14 THR HA 1.0 0.0 5.00 40 40 A 14 THR H A 14 THR HB 1.0 0.0 5.15 41 41 A 14 THR H A 14 THR HG2% 1.0 0.0 5.33 42 42 A 14 THR H A 15 ARG HA 1.0 0.0 5.25 43 43 A 14 THR H A 15 ARG H 1.0 0.0 5.07 44 44 A 15 ARG HA A 16 VAL HB 1.0 0.0 5.80 45 45 A 16 VAL H A 15 ARG HA 1.0 0.0 3.91 46 46 A 15 ARG H A 15 ARG HA 1.0 0.0 4.78 47 47 A 15 ARG H A 15 ARG HBy 1.0 0.0 5.06 48 48 A 15 ARG H A 15 ARG HGx 1.0 0.0 5.80 49 49 A 17 MET H A 16 VAL HA 1.0 0.0 3.82 50 50 A 17 MET H A 16 VAL HB 1.0 0.0 5.05 51 51 A 16 VAL HB A 16 VAL HGy% 1.0 0.0 3.85 52 52 A 17 MET H A 16 VAL HGy% 1.0 0.0 5.53 53 53 A 16 VAL H A 16 VAL HA 1.0 0.0 5.20 54 54 A 16 VAL H A 16 VAL HB 1.0 0.0 4.68 55 55 A 16 VAL H A 16 VAL HGy% 1.0 0.0 4.92 56 56 A 18 GLY H A 17 MET HA 1.0 0.0 4.04 57 57 A 18 GLY H A 17 MET HBx 1.0 0.0 5.80 58 58 A 17 MET H A 17 MET HA 1.0 0.0 5.16 59 59 A 17 MET H A 17 MET HGy 1.0 0.0 5.80 60 60 A 19 GLY H A 18 GLY HAy 1.0 0.0 4.06 61 61 A 20 PRO HA A 20 PRO HBy 1.0 0.0 5.75 62 62 A 20 PRO HBy A 20 PRO HDy 1.0 0.0 5.64 63 63 A 23 PRO HA A 23 PRO HBx 1.0 0.0 5.04 64 64 A 24 ARG H A 23 PRO HBy 1.0 0.0 5.80 65 65 A 25 LYS H A 24 ARG HA 1.0 0.0 3.53 66 66 A 24 ARG H A 24 ARG HA 1.0 0.0 4.41 67 67 A 24 ARG H A 24 ARG HBy 1.0 0.0 4.65 68 68 A 24 ARG H A 24 ARG HGy 1.0 0.0 5.58 69 69 A 25 LYS HA A 25 LYS HBx 1.0 0.0 4.55 70 70 A 25 LYS HA A 25 LYS HGy 1.0 0.0 5.80 71 71 A 26 GLY H A 25 LYS HA 1.0 0.0 3.59 72 72 A 26 GLY H A 25 LYS HBx 1.0 0.0 4.96 73 73 A 26 GLY H A 25 LYS HDy 1.0 0.0 5.80 74 74 A 25 LYS HGy A 25 LYS HEy 1.0 0.0 5.35 75 75 A 25 LYS H A 25 LYS HDy 1.0 0.0 4.21 76 76 A 25 LYS H A 25 LYS HGy 1.0 0.0 5.61 77 77 A 26 GLY HAy A 27 PRO HDy 1.0 0.0 3.49 78 78 A 26 GLY HAy A 27 PRO HDy 1.0 0.0 5.56 79 79 A 26 GLY H A 26 GLY HAy 1.0 0.0 4.89 80 80 A 26 GLY H A 26 GLY HAy 1.0 0.0 5.14 81 81 A 29 LYS H A 28 PRO HA 1.0 0.0 3.88 82 82 A 29 LYS HA A 29 LYS HBy 1.0 0.0 4.26 83 83 A 31 LYS HA A 31 LYS HGy 1.0 0.0 5.39 84 84 A 32 GLN H A 31 LYS HA 1.0 0.0 3.37 85 85 A 31 LYS H A 31 LYS HA 1.0 0.0 4.53 86 86 A 31 LYS H A 31 LYS HBy 1.0 0.0 4.97 87 87 A 31 LYS H A 31 LYS HDx 1.0 0.0 4.47 88 88 A 31 LYS H A 31 LYS HGy 1.0 0.0 5.32 89 89 A 33 ARG H A 32 GLN HA 1.0 0.0 3.41 90 90 A 33 ARG H A 32 GLN HBy 1.0 0.0 5.53 91 91 A 33 ARG H A 32 GLN HGy 1.0 0.0 5.80 92 92 A 32 GLN H A 32 GLN HBy 1.0 0.0 5.11 93 93 A 32 GLN H A 32 GLN HGy 1.0 0.0 5.34 94 94 A 34 GLN H A 33 ARG HA 1.0 0.0 3.45 95 95 A 34 GLN H A 33 ARG HBy 1.0 0.0 4.53 96 96 A 33 ARG H A 33 ARG HGx 1.0 0.0 4.54 97 97 A 35 THR H A 34 GLN HA 1.0 0.0 3.50 98 98 A 35 THR H A 34 GLN HGx 1.0 0.0 5.80 99 99 A 34 GLN H A 34 GLN HBx 1.0 0.0 5.19 100 100 A 36 ARG H A 35 THR HA 1.0 0.0 3.68 101 101 A 35 THR HB A 35 THR HG2% 1.0 0.0 3.98 102 102 A 37 GLN H A 35 THR HB 1.0 0.0 5.80 103 103 A 36 ARG H A 35 THR HG2% 1.0 0.0 5.51 104 104 A 35 THR H A 35 THR HA 1.0 0.0 4.56 105 105 A 35 THR H A 35 THR HB 1.0 0.0 4.80 106 106 A 35 THR H A 35 THR HG2% 1.0 0.0 5.08 107 107 A 35 THR H A 36 ARG H 1.0 0.0 4.50 108 108 A 35 THR H A 37 GLN H 1.0 0.0 5.25 109 109 A 36 ARG HA A 36 ARG HGy 1.0 0.0 3.98 110 110 A 37 GLN H A 36 ARG HA 1.0 0.0 3.49 111 111 A 37 GLN H A 36 ARG HBy 1.0 0.0 5.47 112 112 A 37 GLN H A 36 ARG HGy 1.0 0.0 5.75 113 113 A 36 ARG H A 36 ARG HA 1.0 0.0 3.30 114 114 A 36 ARG H A 36 ARG HDy 1.0 0.0 5.80 115 115 A 37 GLN HA A 37 GLN HGy 1.0 0.0 5.64 116 116 A 39 LYS HA A 39 LYS HGy 1.0 0.0 4.96 117 117 A 40 SER H A 39 LYS HA 1.0 0.0 3.80 118 118 A 40 SER H A 39 LYS HDx 1.0 0.0 5.80 119 119 A 40 SER H A 39 LYS HGy 1.0 0.0 5.80 120 120 A 39 LYS H A 39 LYS HBy 1.0 0.0 4.90 121 121 A 39 LYS H A 39 LYS HEy 1.0 0.0 5.72 122 122 A 39 LYS H A 39 LYS HGy 1.0 0.0 5.28 123 123 A 39 LYS H A 40 SER H 1.0 0.0 4.55 124 124 A 40 SER HA A 40 SER HBy 1.0 0.0 4.22 125 125 A 41 LYS H A 40 SER HA 1.0 0.0 3.67 126 126 A 41 LYS H A 40 SER HBy 1.0 0.0 4.92 127 127 A 40 SER H A 40 SER HA 1.0 0.0 4.85 128 128 A 40 SER H A 40 SER HBy 1.0 0.0 4.65 129 129 A 41 LYS H A 41 LYS HA 1.0 0.0 5.08 130 130 A 41 LYS H A 41 LYS HBx 1.0 0.0 5.22 131 131 A 41 LYS H A 41 LYS HDx 1.0 0.0 4.47 132 132 A 41 LYS H A 41 LYS HGy 1.0 0.0 5.65 133 133 A 44 LYS H A 43 PRO HA 1.0 0.0 3.56 134 134 A 44 LYS H A 43 PRO HBy 1.0 0.0 5.80 135 135 A 44 LYS HA A 44 LYS HBy 1.0 0.0 3.96 136 136 A 45 LYS H A 44 LYS HBy 1.0 0.0 4.23 137 137 A 44 LYS H A 44 LYS HBy 1.0 0.0 4.60 138 138 A 46 GLY H A 45 LYS HA 1.0 0.0 3.68 139 139 A 46 GLY H A 45 LYS HBy 1.0 0.0 5.38 140 140 A 46 GLY H A 45 LYS HGy 1.0 0.0 5.80 141 141 A 45 LYS H A 45 LYS HGy 1.0 0.0 5.15 142 142 A 47 VAL H A 46 GLY HAy 1.0 0.0 4.72 143 143 A 46 GLY H A 46 GLY HAy 1.0 0.0 4.28 144 144 A 46 GLY H A 47 VAL H 1.0 0.0 5.63 145 145 A 47 VAL HA A 47 VAL HB 1.0 0.0 4.44 146 146 A 47 VAL HA A 47 VAL HGy% 1.0 0.0 4.43 147 147 A 48 GLN H A 47 VAL HA 1.0 0.0 4.04 148 148 A 48 GLN H A 47 VAL HB 1.0 0.0 4.72 149 149 A 48 GLN H A 47 VAL HGy% 1.0 0.0 5.05 150 150 A 47 VAL H A 47 VAL HA 1.0 0.0 4.82 151 151 A 47 VAL H A 47 VAL HB 1.0 0.0 4.61 152 152 A 47 VAL H A 47 VAL HGy% 1.0 0.0 4.35 153 153 A 47 VAL H A 48 GLN H 1.0 0.0 5.49 154 154 A 49 GLY H A 48 GLN HA 1.0 0.0 4.28 155 155 A 48 GLN H A 48 GLN HA 1.0 0.0 4.95 156 156 A 48 GLN H A 48 GLN HBx 1.0 0.0 4.75 157 157 A 48 GLN H A 48 GLN HGx 1.0 0.0 5.37 158 158 A 49 GLY H A 49 GLY HAy 1.0 0.0 4.27 159 159 A 52 ASP H A 51 GLY HAy 1.0 0.0 4.13 160 160 A 51 GLY H A 51 GLY HAy 1.0 0.0 5.57 161 161 A 52 ASP HA A 52 ASP HBy 1.0 0.0 5.80 162 162 A 53 ASP H A 52 ASP HA 1.0 0.0 4.04 163 163 A 53 ASP H A 52 ASP HBy 1.0 0.0 4.87 164 164 A 53 ASP H A 52 ASP HBx 1.0 0.0 4.95 165 165 A 52 ASP H A 52 ASP HA 1.0 0.0 4.45 166 166 A 52 ASP H A 52 ASP HBy 1.0 0.0 4.98 167 167 A 52 ASP H A 52 ASP HBx 1.0 0.0 4.81 168 168 A 54 ILE H A 53 ASP HA 1.0 0.0 4.23 169 169 A 54 ILE H A 53 ASP HBy 1.0 0.0 5.80 170 170 A 54 ILE H A 53 ASP HBx 1.0 0.0 5.80 171 171 A 53 ASP H A 54 ILE H 1.0 0.0 5.14 172 172 A 54 ILE HA A 54 ILE HB 1.0 0.0 5.06 173 173 A 54 ILE HA A 54 ILE HG1x 1.0 0.0 5.80 174 174 A 54 ILE HA A 54 ILE HG2% 1.0 0.0 4.90 175 175 A 54 ILE HB A 55 PRO HDy 1.0 0.0 5.80 176 176 A 54 ILE HB A 55 PRO HDx 1.0 0.0 5.80 177 177 A 57 MET H A 54 ILE HB 1.0 0.0 5.80 178 178 A 57 MET H A 54 ILE HG2% 1.0 0.0 5.80 179 179 A 54 ILE H A 54 ILE HA 1.0 0.0 5.01 180 180 A 54 ILE H A 54 ILE HB 1.0 0.0 4.59 181 181 A 54 ILE H A 54 ILE HG1y 1.0 0.0 5.18 182 182 A 54 ILE H A 54 ILE HG1x 1.0 0.0 5.15 183 183 A 54 ILE H A 55 PRO HDy 1.0 0.0 5.80 184 184 A 57 MET H A 55 PRO HA 1.0 0.0 5.80 185 185 A 56 GLY H A 55 PRO HBy 1.0 0.0 5.80 186 186 A 56 GLY H A 55 PRO HBx 1.0 0.0 5.36 187 187 A 57 MET H A 56 GLY HAy 1.0 0.0 4.87 188 188 A 58 GLU H A 56 GLY HAy 1.0 0.0 5.80 189 189 A 56 GLY H A 56 GLY HAy 1.0 0.0 3.63 190 190 A 57 MET H A 56 GLY H 1.0 0.0 4.70 191 191 A 57 MET HA A 57 MET HGy 1.0 0.0 5.80 192 192 A 58 GLU H A 57 MET HA 1.0 0.0 4.41 193 193 A 57 MET H A 57 MET HA 1.0 0.0 4.81 194 194 A 57 MET H A 57 MET HBy 1.0 0.0 5.02 195 195 A 57 MET H A 57 MET HBx 1.0 0.0 4.58 196 196 A 57 MET H A 57 MET HGy 1.0 0.0 5.66 197 197 A 57 MET H A 58 GLU H 1.0 0.0 5.07 198 198 A 58 GLU HA A 58 GLU HBy 1.0 0.0 4.03 199 199 A 59 GLY H A 58 GLU HA 1.0 0.0 4.20 200 200 A 59 GLY H A 58 GLU HBy 1.0 0.0 5.53 201 201 A 59 GLY H A 58 GLU HBx 1.0 0.0 5.73 202 202 A 59 GLY H A 58 GLU HGy 1.0 0.0 5.80 203 203 A 58 GLU H A 58 GLU HA 1.0 0.0 3.97 204 204 A 58 GLU H A 58 GLU HBy 1.0 0.0 5.12 205 205 A 58 GLU H A 58 GLU HBx 1.0 0.0 4.59 206 206 A 58 GLU H A 58 GLU HGy 1.0 0.0 5.30 207 207 A 58 GLU H A 59 GLY H 1.0 0.0 4.48 208 208 A 59 GLY H A 59 GLY HAy 1.0 0.0 3.81 209 209 A 62 THR H A 61 GLY HAy 1.0 0.0 3.91 210 210 A 63 ASP H A 61 GLY HAy 1.0 0.0 5.80 211 211 A 61 GLY H A 62 THR HG2% 1.0 0.0 5.80 212 212 A 61 GLY H A 62 THR H 1.0 0.0 4.95 213 213 A 63 ASP H A 62 THR HA 1.0 0.0 4.30 214 214 A 64 ILE H A 62 THR HA 1.0 0.0 5.43 215 215 A 65 THR H A 62 THR HA 1.0 0.0 4.68 216 216 A 65 THR H A 62 THR HB 1.0 0.0 5.80 217 217 A 63 ASP H A 62 THR HG2% 1.0 0.0 5.80 218 218 A 64 ILE H A 62 THR HG2% 1.0 0.0 5.80 219 219 A 62 THR H A 62 THR HA 1.0 0.0 4.66 220 220 A 62 THR H A 62 THR HB 1.0 0.0 4.99 221 221 A 62 THR H A 62 THR HG2% 1.0 0.0 4.76 222 222 A 62 THR H A 63 ASP H 1.0 0.0 4.46 223 223 A 64 ILE H A 63 ASP HA 1.0 0.0 4.18 224 224 A 64 ILE H A 63 ASP HBy 1.0 0.0 5.80 225 225 A 64 ILE H A 63 ASP HBx 1.0 0.0 5.80 226 226 A 63 ASP H A 63 ASP HA 1.0 0.0 5.09 227 227 A 63 ASP H A 63 ASP HBy 1.0 0.0 4.91 228 228 A 63 ASP H A 63 ASP HBx 1.0 0.0 4.71 229 229 A 64 ILE H A 63 ASP H 1.0 0.0 4.72 230 230 A 64 ILE HA A 64 ILE HG2% 1.0 0.0 5.10 231 231 A 65 THR H A 64 ILE HA 1.0 0.0 3.93 232 232 A 65 THR H A 64 ILE HB 1.0 0.0 5.55 233 233 A 67 ILE H A 64 ILE HB 1.0 0.0 5.80 234 234 A 65 THR H A 64 ILE HG1y 1.0 0.0 5.80 235 235 A 64 ILE HG2% A 64 ILE HB 1.0 0.0 4.17 236 236 A 64 ILE HG2% A 65 THR HA 1.0 0.0 5.41 237 237 A 65 THR H A 64 ILE HG2% 1.0 0.0 5.10 238 238 A 64 ILE H A 64 ILE HA 1.0 0.0 4.76 239 239 A 64 ILE H A 64 ILE HB 1.0 0.0 4.44 240 240 A 64 ILE H A 64 ILE HG1x 1.0 0.0 4.82 241 241 A 64 ILE H A 64 ILE HG1y 1.0 0.0 5.21 242 242 A 64 ILE H A 64 ILE HG2% 1.0 0.0 4.84 243 243 A 64 ILE H A 65 THR H 1.0 0.0 4.61 244 244 A 65 THR HA A 65 THR HG2% 1.0 0.0 4.13 245 245 A 66 VAL H A 65 THR HA 1.0 0.0 4.21 246 246 A 67 ILE H A 65 THR HB 1.0 0.0 5.16 247 247 A 66 VAL H A 65 THR HG2% 1.0 0.0 4.89 248 248 A 65 THR H A 65 THR HA 1.0 0.0 5.80 249 249 A 65 THR H A 65 THR HB 1.0 0.0 5.80 250 250 A 65 THR H A 65 THR HG2% 1.0 0.0 4.88 251 251 A 65 THR H A 66 VAL HGy% 1.0 0.0 5.80 252 252 A 65 THR H A 66 VAL H 1.0 0.0 5.11 253 253 A 66 VAL HA A 66 VAL HB 1.0 0.0 4.84 254 254 A 66 VAL HGy% A 66 VAL HA 1.0 0.0 4.58 255 255 A 67 ILE H A 66 VAL HA 1.0 0.0 3.89 256 256 A 66 VAL HGy% A 66 VAL HB 1.0 0.0 4.10 257 257 A 67 ILE H A 66 VAL HB 1.0 0.0 5.80 258 258 A 67 ILE H A 66 VAL HGy% 1.0 0.0 5.22 259 259 A 66 VAL H A 66 VAL HA 1.0 0.0 4.92 260 260 A 66 VAL H A 66 VAL HB 1.0 0.0 4.70 261 261 A 66 VAL H A 66 VAL HGy% 1.0 0.0 4.53 262 262 A 66 VAL H A 67 ILE H 1.0 0.0 5.13 263 263 A 67 ILE HA A 67 ILE HB 1.0 0.0 4.77 264 264 A 67 ILE HA A 67 ILE HD1% 1.0 0.0 4.60 265 265 A 67 ILE HA A 67 ILE HG1x 1.0 0.0 5.58 266 266 A 67 ILE HA A 67 ILE HG2% 1.0 0.0 4.57 267 267 A 67 ILE HB A 67 ILE HD1% 1.0 0.0 5.80 268 268 A 67 ILE HG1x A 67 ILE HG1y 1.0 0.0 3.51 269 269 A 71 GLU H A 67 ILE HG2% 1.0 0.0 5.80 270 270 A 72 ALA H A 67 ILE HG2% 1.0 0.0 5.80 271 271 A 67 ILE H A 67 ILE HB 1.0 0.0 4.87 272 272 A 67 ILE H A 67 ILE HD1% 1.0 0.0 5.80 273 273 A 67 ILE H A 67 ILE HG1x 1.0 0.0 5.30 274 274 A 67 ILE H A 67 ILE HG1y 1.0 0.0 5.52 275 275 A 67 ILE H A 67 ILE HG2% 1.0 0.0 5.80 276 276 A 70 TRP H A 69 PRO HA 1.0 0.0 4.50 277 277 A 71 GLU H A 69 PRO HA 1.0 0.0 5.80 278 278 A 69 PRO HA A 72 ALA HB% 1.0 0.0 5.44 279 279 A 72 ALA H A 69 PRO HA 1.0 0.0 5.80 280 280 A 69 PRO HA A 69 PRO HBy 1.0 0.0 4.28 281 281 A 69 PRO HDx A 69 PRO HBy 1.0 0.0 5.80 282 282 A 70 TRP H A 69 PRO HBy 1.0 0.0 5.80 283 283 A 69 PRO HA A 69 PRO HBx 1.0 0.0 4.51 284 284 A 70 TRP H A 69 PRO HBx 1.0 0.0 5.71 285 285 A 70 TRP H A 69 PRO HDx 1.0 0.0 5.80 286 286 A 70 TRP H A 69 PRO HDy 1.0 0.0 5.80 287 287 A 69 PRO HA A 69 PRO HGx 1.0 0.0 5.42 288 288 A 69 PRO HBy A 69 PRO HGx 1.0 0.0 4.01 289 289 A 69 PRO HDx A 69 PRO HGx 1.0 0.0 4.73 290 290 A 70 TRP H A 69 PRO HGx 1.0 0.0 5.80 291 291 A 70 TRP HA A 70 TRP HBy 1.0 0.0 4.94 292 292 A 70 TRP HA A 70 TRP HD1 1.0 0.0 5.35 293 293 A 71 GLU H A 70 TRP HA 1.0 0.0 4.54 294 294 A 72 ALA H A 70 TRP HA 1.0 0.0 5.80 295 295 A 71 GLU H A 70 TRP HBy 1.0 0.0 5.80 296 296 A 71 GLU H A 70 TRP HBx 1.0 0.0 5.80 297 297 A 70 TRP H A 70 TRP HA 1.0 0.0 4.96 298 298 A 70 TRP H A 70 TRP HBy 1.0 0.0 5.04 299 299 A 70 TRP H A 70 TRP HBx 1.0 0.0 5.15 300 300 A 70 TRP H A 70 TRP HE3 1.0 0.0 5.80 301 301 A 70 TRP H A 71 GLU H 1.0 0.0 5.08 302 302 A 71 GLU HA A 71 GLU HBx 1.0 0.0 4.64 303 303 A 71 GLU HBy A 71 GLU HA 1.0 0.0 4.56 304 304 A 71 GLU HGy A 71 GLU HA 1.0 0.0 4.81 305 305 A 72 ALA H A 71 GLU HA 1.0 0.0 4.25 306 306 A 72 ALA H A 71 GLU HBx 1.0 0.0 5.75 307 307 A 72 ALA H A 71 GLU HBy 1.0 0.0 5.74 308 308 A 72 ALA H A 71 GLU HGy 1.0 0.0 5.80 309 309 A 71 GLU H A 71 GLU HA 1.0 0.0 4.94 310 310 A 71 GLU H A 71 GLU HBx 1.0 0.0 5.09 311 311 A 71 GLU H A 71 GLU HBy 1.0 0.0 5.56 312 312 A 71 GLU H A 71 GLU HGy 1.0 0.0 5.76 313 313 A 71 GLU H A 72 ALA HB% 1.0 0.0 5.80 314 314 A 71 GLU H A 72 ALA H 1.0 0.0 4.73 315 315 A 72 ALA HB% A 72 ALA HA 1.0 0.0 4.10 316 316 A 74 ASN H A 72 ALA HB% 1.0 0.0 5.80 317 317 A 72 ALA H A 72 ALA HA 1.0 0.0 4.85 318 318 A 72 ALA H A 72 ALA HB% 1.0 0.0 4.14 319 319 A 74 ASN HA A 74 ASN HBy 1.0 0.0 4.87 320 320 A 75 HIS H A 74 ASN HA 1.0 0.0 4.40 321 321 A 74 ASN HBy A 74 ASN HD2x 1.0 0.0 5.30 322 322 A 75 HIS H A 74 ASN HBy 1.0 0.0 5.54 323 323 A 74 ASN H A 74 ASN HA 1.0 0.0 4.81 324 324 A 74 ASN H A 74 ASN HBy 1.0 0.0 4.98 325 325 A 74 ASN H A 75 HIS H 1.0 0.0 5.34 326 326 A 75 HIS HA A 75 HIS HBy 1.0 0.0 4.75 327 327 A 75 HIS HA A 75 HIS HBx 1.0 0.0 4.89 328 328 A 75 HIS H A 75 HIS HBy 1.0 0.0 5.42 329 329 A 75 HIS H A 75 HIS HBx 1.0 0.0 5.21 330 330 A 78 LEU H A 77 GLU HA 1.0 0.0 4.15 331 331 A 78 LEU H A 77 GLU HBy 1.0 0.0 5.80 332 332 A 78 LEU H A 77 GLU HGx 1.0 0.0 5.80 333 333 A 77 GLU H A 77 GLU HBy 1.0 0.0 4.42 334 334 A 77 GLU H A 77 GLU HGy 1.0 0.0 5.80 335 335 A 78 LEU HA A 78 LEU HDx% 1.0 0.0 4.35 336 336 A 79 HIS H A 78 LEU HA 1.0 0.0 4.73 337 337 A 79 HIS H A 78 LEU HBx 1.0 0.0 5.76 338 338 A 79 HIS H A 78 LEU HBy 1.0 0.0 5.54 339 339 A 79 HIS H A 78 LEU HDx% 1.0 0.0 5.80 340 340 A 78 LEU H A 78 LEU HA 1.0 0.0 4.51 341 341 A 78 LEU H A 78 LEU HBx 1.0 0.0 4.84 342 342 A 78 LEU H A 79 HIS H 1.0 0.0 5.07 343 343 A 80 GLU H A 79 HIS HA 1.0 0.0 4.67 344 344 A 79 HIS HA A 82 ALA HB% 1.0 0.0 5.80 345 345 A 80 GLU H A 79 HIS HBy 1.0 0.0 5.48 346 346 A 79 HIS H A 79 HIS HA 1.0 0.0 4.94 347 347 A 79 HIS H A 79 HIS HBy 1.0 0.0 5.11 348 348 A 79 HIS H A 79 HIS HBx 1.0 0.0 5.01 349 349 A 79 HIS H A 80 GLU H 1.0 0.0 5.01 350 350 A 80 GLU HA A 80 GLU HGy 1.0 0.0 4.37 351 351 A 81 LEU H A 80 GLU HA 1.0 0.0 4.17 352 352 A 81 LEU H A 80 GLU HBx 1.0 0.0 5.80 353 353 A 81 LEU H A 80 GLU HGy 1.0 0.0 5.80 354 354 A 80 GLU H A 80 GLU HA 1.0 0.0 4.89 355 355 A 80 GLU H A 80 GLU HBy 1.0 0.0 5.10 356 356 A 80 GLU H A 80 GLU HBx 1.0 0.0 4.75 357 357 A 80 GLU H A 80 GLU HGy 1.0 0.0 5.19 358 358 A 80 GLU H A 81 LEU HDy% 1.0 0.0 5.80 359 359 A 81 LEU HA A 81 LEU HBy 1.0 0.0 5.28 360 360 A 81 LEU HA A 81 LEU HDx% 1.0 0.0 5.20 361 361 A 82 ALA H A 81 LEU HA 1.0 0.0 4.47 362 362 A 82 ALA H A 81 LEU HBy 1.0 0.0 5.51 363 363 A 82 ALA H A 81 LEU HDy% 1.0 0.0 5.80 364 364 A 81 LEU H A 81 LEU HBy 1.0 0.0 4.17 365 365 A 81 LEU H A 81 LEU HDx% 1.0 0.0 5.80 366 366 A 81 LEU H A 82 ALA H 1.0 0.0 3.56 367 367 A 82 ALA HB% A 82 ALA HA 1.0 0.0 4.20 368 368 A 83 GLN H A 82 ALA HA 1.0 0.0 4.49 369 369 A 85 GLY H A 82 ALA HA 1.0 0.0 5.80 370 370 A 86 ILE H A 82 ALA HA 1.0 0.0 5.80 371 371 A 83 GLN H A 82 ALA HB% 1.0 0.0 5.71 372 372 A 82 ALA H A 82 ALA HA 1.0 0.0 4.76 373 373 A 82 ALA H A 82 ALA HB% 1.0 0.0 4.41 374 374 A 83 GLN HA A 83 GLN HBy 1.0 0.0 4.54 375 375 A 83 GLN HA A 83 GLN HGy 1.0 0.0 5.07 376 376 A 84 TYR H A 83 GLN HA 1.0 0.0 4.80 377 377 A 84 TYR H A 83 GLN HBy 1.0 0.0 5.80 378 378 A 84 TYR H A 83 GLN HGy 1.0 0.0 5.80 379 379 A 83 GLN H A 83 GLN HBy 1.0 0.0 4.81 380 380 A 83 GLN H A 83 GLN HGy 1.0 0.0 5.47 381 381 A 84 TYR HA A 84 TYR HD% 1.0 0.0 5.35 382 382 A 85 GLY H A 84 TYR HA 1.0 0.0 5.03 383 383 A 85 GLY H A 84 TYR HBy 1.0 0.0 5.80 384 384 A 85 GLY H A 84 TYR HBx 1.0 0.0 5.80 385 385 A 86 ILE H A 84 TYR HBx 1.0 0.0 5.80 386 386 A 84 TYR HD% A 84 TYR HBy 1.0 0.0 5.80 387 387 A 84 TYR HD% A 84 TYR HBx 1.0 0.0 5.80 388 388 A 84 TYR H A 84 TYR HA 1.0 0.0 5.23 389 389 A 84 TYR H A 84 TYR HBy 1.0 0.0 5.65 390 390 A 84 TYR H A 84 TYR HBx 1.0 0.0 4.88 391 391 A 84 TYR H A 85 GLY H 1.0 0.0 4.85 392 392 A 86 ILE H A 85 GLY HAx 1.0 0.0 5.39 393 393 A 86 ILE H A 85 GLY HAx 1.0 0.0 5.80 394 394 A 85 GLY H A 85 GLY HAx 1.0 0.0 4.88 395 395 A 85 GLY H A 85 GLY HAx 1.0 0.0 5.07 396 396 A 85 GLY H A 86 ILE H 1.0 0.0 5.64 397 397 A 86 ILE HA A 86 ILE HB 1.0 0.0 5.57 398 398 A 86 ILE HA A 86 ILE HD1% 1.0 0.0 5.80 399 399 A 86 ILE HA A 86 ILE HG2% 1.0 0.0 5.80 400 400 A 86 ILE H A 86 ILE HA 1.0 0.0 5.80 401 401 A 86 ILE H A 86 ILE HB 1.0 0.0 5.46 402 402 A 86 ILE H A 86 ILE HG1x 1.0 0.0 5.80 403 403 A 86 ILE H A 86 ILE HG1y 1.0 0.0 5.80 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 3 LEU C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -129.30 -49.45 PHI 2 2 A 4 GLU N A 4 GLU CA A 4 GLU C A 5 PRO N 1.0 115.75 178.79 PSI 3 3 A 5 PRO N A 5 PRO CA A 5 PRO C A 6 PRO N 1.0 86.87 186.31 PSI 4 4 A 6 PRO N A 6 PRO CA A 6 PRO C A 7 LYS N 1.0 130.82 164.78 PSI 5 5 A 22 THR N A 22 THR CA A 22 THR C A 23 PRO N 1.0 98.45 181.13 PSI 6 6 A 27 PRO N A 27 PRO CA A 27 PRO C A 28 PRO N 1.0 122.08 181.12 PSI 7 7 A 28 PRO N A 28 PRO CA A 28 PRO C A 29 LYS N 1.0 129.74 165.06 PSI 8 8 A 40 SER C A 41 LYS N A 41 LYS CA A 41 LYS C 1.0 -147.30 -38.13 PHI 9 9 A 41 LYS N A 41 LYS CA A 41 LYS C A 42 PRO N 1.0 83.45 192.93 PSI 10 10 A 42 PRO N A 42 PRO CA A 42 PRO C A 43 PRO N 1.0 152.57 178.62 PSI 11 11 A 43 PRO N A 43 PRO CA A 43 PRO C A 44 LYS N 1.0 123.33 164.85 PSI 12 12 A 53 ASP C A 54 ILE N A 54 ILE CA A 54 ILE C 1.0 -151.40 -46.55 PHI 13 13 A 54 ILE N A 54 ILE CA A 54 ILE C A 55 PRO N 1.0 79.78 186.73 PSI 14 14 A 62 THR C A 63 ASP N A 63 ASP CA A 63 ASP C 1.0 -70.00 -50.00 PHI 15 15 A 66 VAL C A 67 ILE N A 67 ILE CA A 67 ILE C 1.0 -134.30 -68.13 PHI 16 16 A 69 PRO C A 70 TRP N A 70 TRP CA A 70 TRP C 1.0 -80.00 -60.00 PHI 17 17 A 71 GLU C A 72 ALA N A 72 ALA CA A 72 ALA C 1.0 -77.00 -57.00 PHI 18 18 A 80 GLU C A 81 LEU N A 81 LEU CA A 81 LEU C 1.0 -99.70 -51.58 PHI 19 19 A 81 LEU N A 81 LEU CA A 81 LEU C A 82 ALA N 1.0 -68.25 24.71 PSI 20 20 A 81 LEU C A 82 ALA N A 82 ALA CA A 82 ALA C 1.0 -68.00 -48.00 PHI stop_ save_