data_nef_c15079_2jn0 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 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 SER middle . . 3 A 3 SER middle . . 4 A 4 ASP middle . . 5 A 5 TYR middle . . 6 A 6 VAL middle . . 7 A 7 MET middle . . 8 A 8 ALA middle . . 9 A 9 THR middle . . 10 A 10 LYS middle . . 11 A 11 ASP middle . . 12 A 12 GLY middle . false 13 A 13 ARG middle . . 14 A 14 MET middle . . 15 A 15 ILE middle . . 16 A 16 LEU middle . . 17 A 17 THR middle . . 18 A 18 ASP middle . . 19 A 19 GLY middle . false 20 A 20 LYS middle . . 21 A 21 PRO middle . false 22 A 22 GLU middle . . 23 A 23 ILE middle . . 24 A 24 ASP middle . . 25 A 25 ASP middle . . 26 A 26 ASP middle . . 27 A 27 THR middle . . 28 A 28 GLY middle . false 29 A 29 LEU middle . . 30 A 30 VAL middle . . 31 A 31 SER middle . . 32 A 32 TYR middle . . 33 A 33 HIS middle . . 34 A 34 ASP middle . . 35 A 35 GLN middle . . 36 A 36 GLN middle . . 37 A 37 GLY middle . false 38 A 38 ASN middle . . 39 A 39 ALA middle . . 40 A 40 MET middle . . 41 A 41 GLN middle . . 42 A 42 ILE middle . . 43 A 43 ASN middle . . 44 A 44 ARG middle . . 45 A 45 ASP middle . . 46 A 46 ASP middle . . 47 A 47 VAL middle . . 48 A 48 SER middle . . 49 A 49 GLN middle . . 50 A 50 ILE middle . . 51 A 51 ILE middle . . 52 A 52 GLU middle . . 53 A 53 ARG middle . . 54 A 54 LEU middle . . 55 A 55 GLU middle . . 56 A 56 HIS middle . . 57 A 57 HIS middle . . 58 A 58 HIS middle . . 59 A 59 HIS middle . . 60 A 60 HIS middle . . 61 A 61 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 5 TYR HD1 H 1 6.849 0.03 A 5 TYR HD2 H 1 6.849 0.03 A 5 TYR HE1 H 1 6.714 0.03 A 5 TYR HE2 H 1 6.714 0.03 A 5 TYR C C 13 175.311 0.3 A 5 TYR CA C 13 57.458 0.3 A 5 TYR CB C 13 42.374 0.3 A 5 TYR CD1 C 13 133.07 0.3 A 5 TYR CD2 C 13 133.07 0.3 A 5 TYR CE1 C 13 117.545 0.3 A 5 TYR CE2 C 13 117.545 0.3 A 6 VAL H H 1 9.127 0.03 A 6 VAL HA H 1 4.915 0.03 A 6 VAL HB H 1 1.858 0.03 A 6 VAL HGx% H 1 0.806 0.03 A 6 VAL HGy% H 1 0.801 0.03 A 6 VAL CA C 13 60.093 0.3 A 6 VAL CB C 13 35.880 0.3 A 6 VAL CGy C 13 21.482 0.3 A 6 VAL CGx C 13 21.453 0.3 A 6 VAL N N 15 119.626 0.3 A 7 MET H H 1 9.312 0.03 A 7 MET HA H 1 5.119 0.03 A 7 MET HBy H 1 1.840 0.03 A 7 MET HBx H 1 1.675 0.03 A 7 MET HE% H 1 0.933 0.03 A 7 MET HGy H 1 2.203 0.03 A 7 MET HGx H 1 2.021 0.03 A 7 MET C C 13 173.751 0.3 A 7 MET CA C 13 54.336 0.3 A 7 MET CB C 13 35.576 0.3 A 7 MET CE C 13 15.448 0.3 A 7 MET N N 15 124.441 0.3 A 8 ALA H H 1 8.844 0.03 A 8 ALA HA H 1 5.524 0.03 A 8 ALA HB% H 1 1.347 0.03 A 8 ALA C C 13 178.429 0.3 A 8 ALA CA C 13 50.240 0.3 A 8 ALA CB C 13 20.782 0.3 A 8 ALA N N 15 127.879 0.3 A 9 THR H H 1 9.020 0.03 A 9 THR HA H 1 5.069 0.03 A 9 THR HB H 1 4.799 0.03 A 9 THR HG2% H 1 1.018 0.03 A 9 THR C C 13 177.341 0.3 A 9 THR CA C 13 60.982 0.3 A 9 THR CB C 13 70.447 0.3 A 9 THR CG2 C 13 22.004 0.3 A 9 THR N N 15 114.315 0.3 A 10 LYS H H 1 8.683 0.03 A 10 LYS HA H 1 4.054 0.03 A 10 LYS HBy H 1 1.885 0.03 A 10 LYS HBx H 1 1.822 0.03 A 10 LYS HDy H 1 1.699 0.03 A 10 LYS HDx H 1 1.664 0.03 A 10 LYS HEy H 1 2.851 0.03 A 10 LYS HEx H 1 2.667 0.03 A 10 LYS HGy H 1 1.309 0.03 A 10 LYS HGx H 1 1.244 0.03 A 10 LYS C C 13 177.111 0.3 A 10 LYS CA C 13 59.357 0.3 A 10 LYS CB C 13 32.271 0.3 A 10 LYS CD C 13 29.514 0.3 A 10 LYS CE C 13 42.249 0.3 A 10 LYS CG C 13 26.162 0.3 A 10 LYS N N 15 122.355 0.3 A 11 ASP H H 1 8.251 0.03 A 11 ASP HA H 1 4.597 0.03 A 11 ASP HBy H 1 3.037 0.03 A 11 ASP HBx H 1 2.572 0.03 A 11 ASP C C 13 176.403 0.3 A 11 ASP CA C 13 53.154 0.3 A 11 ASP CB C 13 39.791 0.3 A 11 ASP N N 15 114.829 0.3 A 12 GLY H H 1 7.674 0.03 A 12 GLY HAy H 1 4.166 0.03 A 12 GLY HAx H 1 3.704 0.03 A 12 GLY C C 13 174.903 0.3 A 12 GLY CA C 13 46.075 0.3 A 12 GLY N N 15 106.800 0.3 A 13 ARG H H 1 7.684 0.03 A 13 ARG HA H 1 4.394 0.03 A 13 ARG HBy H 1 2.104 0.03 A 13 ARG HBx H 1 1.613 0.03 A 13 ARG HDy H 1 3.252 0.03 A 13 ARG HDx H 1 3.084 0.03 A 13 ARG HE H 1 6.767 0.03 A 13 ARG HGy H 1 1.594 0.03 A 13 ARG HGx H 1 1.466 0.03 A 13 ARG C C 13 175.725 0.3 A 13 ARG CA C 13 56.118 0.3 A 13 ARG CB C 13 31.644 0.3 A 13 ARG CD C 13 43.633 0.3 A 13 ARG CG C 13 27.488 0.3 A 13 ARG N N 15 119.957 0.3 A 13 ARG NE N 15 89.8 0.3 A 14 MET H H 1 8.389 0.03 A 14 MET HA H 1 5.175 0.03 A 14 MET HBy H 1 1.993 0.03 A 14 MET HBx H 1 1.585 0.03 A 14 MET HE% H 1 1.965 0.03 A 14 MET HGy H 1 2.604 0.03 A 14 MET HGx H 1 2.381 0.03 A 14 MET C C 13 175.580 0.3 A 14 MET CA C 13 53.638 0.3 A 14 MET CB C 13 33.111 0.3 A 14 MET CE C 13 17.724 0.3 A 14 MET CG C 13 32.376 0.3 A 14 MET N N 15 120.980 0.3 A 15 ILE H H 1 9.304 0.03 A 15 ILE HA H 1 4.138 0.03 A 15 ILE HB H 1 1.555 0.03 A 15 ILE HD1% H 1 0.624 0.03 A 15 ILE HG1y H 1 1.390 0.03 A 15 ILE HG1x H 1 0.968 0.03 A 15 ILE HG2% H 1 0.621 0.03 A 15 ILE C C 13 174.831 0.3 A 15 ILE CA C 13 60.966 0.3 A 15 ILE CB C 13 40.400 0.3 A 15 ILE CD1 C 13 13.751 0.3 A 15 ILE CG1 C 13 27.218 0.3 A 15 ILE CG2 C 13 17.239 0.3 A 15 ILE N N 15 126.279 0.3 A 16 LEU H H 1 8.568 0.03 A 16 LEU HA H 1 4.764 0.03 A 16 LEU HBy H 1 1.662 0.03 A 16 LEU HBx H 1 1.661 0.03 A 16 LEU HD1% H 1 0.939 0.03 A 16 LEU HD2% H 1 0.880 0.03 A 16 LEU HG H 1 1.742 0.03 A 16 LEU CA C 13 55.487 0.3 A 16 LEU CB C 13 41.982 0.3 A 16 LEU CD1 C 13 24.786 0.3 A 16 LEU CD2 C 13 24.473 0.3 A 16 LEU CG C 13 28.074 0.3 A 16 LEU N N 15 130.0 0.3 A 17 THR H H 1 8.206 0.03 A 17 THR HA H 1 5.212 0.03 A 17 THR HB H 1 4.637 0.03 A 17 THR HG1 H 1 5.586 0.03 A 17 THR HG2% H 1 0.859 0.03 A 17 THR C C 13 174.038 0.3 A 17 THR CA C 13 60.391 0.3 A 17 THR CB C 13 70.128 0.3 A 17 THR CG2 C 13 21.892 0.3 A 17 THR N N 15 125.378 0.3 A 18 ASP H H 1 8.444 0.03 A 18 ASP HA H 1 5.041 0.03 A 18 ASP HBy H 1 2.718 0.03 A 18 ASP HBx H 1 2.481 0.03 A 18 ASP CA C 13 53.202 0.3 A 18 ASP CB C 13 41.610 0.3 A 18 ASP N N 15 122.074 0.3 A 19 GLY HAy H 1 4.216 0.03 A 19 GLY HAx H 1 3.917 0.03 A 19 GLY C C 13 172.903 0.3 A 19 GLY CA C 13 43.627 0.3 A 20 LYS H H 1 8.294 0.03 A 20 LYS CA C 13 54.863 0.3 A 20 LYS CB C 13 33.328 0.3 A 20 LYS N N 15 123.488 0.3 A 21 PRO HA H 1 4.554 0.03 A 21 PRO HBy H 1 2.066 0.03 A 21 PRO HBx H 1 1.525 0.03 A 21 PRO HDy H 1 3.745 0.03 A 21 PRO HDx H 1 2.989 0.03 A 21 PRO HGy H 1 1.749 0.03 A 21 PRO HGx H 1 1.739 0.03 A 21 PRO C C 13 174.885 0.3 A 21 PRO CA C 13 62.922 0.3 A 21 PRO CB C 13 33.223 0.3 A 21 PRO CD C 13 50.599 0.3 A 21 PRO CG C 13 28.317 0.3 A 22 GLU H H 1 8.758 0.03 A 22 GLU HA H 1 4.577 0.03 A 22 GLU HBy H 1 2.008 0.03 A 22 GLU HBx H 1 1.866 0.03 A 22 GLU HGy H 1 2.247 0.03 A 22 GLU HGx H 1 2.143 0.03 A 22 GLU C C 13 174.974 0.3 A 22 GLU CA C 13 55.008 0.3 A 22 GLU CB C 13 32.139 0.3 A 22 GLU CG C 13 35.868 0.3 A 22 GLU N N 15 121.885 0.3 A 23 ILE H H 1 8.875 0.03 A 23 ILE HA H 1 4.233 0.03 A 23 ILE HB H 1 1.789 0.03 A 23 ILE HD1% H 1 0.793 0.03 A 23 ILE HG1y H 1 1.498 0.03 A 23 ILE HG1x H 1 0.889 0.03 A 23 ILE HG2% H 1 0.695 0.03 A 23 ILE C C 13 174.986 0.3 A 23 ILE CA C 13 61.837 0.3 A 23 ILE CB C 13 39.254 0.3 A 23 ILE CD1 C 13 14.096 0.3 A 23 ILE CG1 C 13 28.328 0.3 A 23 ILE CG2 C 13 17.670 0.3 A 23 ILE N N 15 125.321 0.3 A 24 ASP H H 1 8.348 0.03 A 24 ASP HA H 1 4.913 0.03 A 24 ASP HBy H 1 3.234 0.03 A 24 ASP HBx H 1 2.475 0.03 A 24 ASP C C 13 176.338 0.3 A 24 ASP CA C 13 52.880 0.3 A 24 ASP CB C 13 42.424 0.3 A 24 ASP N N 15 128.520 0.3 A 25 ASP H H 1 8.953 0.03 A 25 ASP HA H 1 4.343 0.03 A 25 ASP HBy H 1 2.647 0.03 A 25 ASP HBx H 1 2.563 0.03 A 25 ASP C C 13 177.434 0.3 A 25 ASP CA C 13 56.888 0.3 A 25 ASP CB C 13 41.286 0.3 A 25 ASP N N 15 125.996 0.3 A 26 ASP H H 1 8.640 0.03 A 26 ASP HA H 1 4.566 0.03 A 26 ASP HBy H 1 2.897 0.03 A 26 ASP HBx H 1 2.718 0.03 A 26 ASP C C 13 178.040 0.3 A 26 ASP CA C 13 56.976 0.3 A 26 ASP CB C 13 41.164 0.3 A 26 ASP N N 15 118.710 0.3 A 27 THR H H 1 7.721 0.03 A 27 THR HA H 1 4.294 0.03 A 27 THR HB H 1 4.249 0.03 A 27 THR HG2% H 1 1.196 0.03 A 27 THR C C 13 176.771 0.3 A 27 THR CA C 13 61.921 0.3 A 27 THR CB C 13 70.390 0.3 A 27 THR CG2 C 13 21.561 0.3 A 27 THR N N 15 107.6 0.3 A 28 GLY H H 1 8.213 0.03 A 28 GLY HAy H 1 4.096 0.03 A 28 GLY HAx H 1 3.611 0.03 A 28 GLY C C 13 173.499 0.3 A 28 GLY CA C 13 46.366 0.3 A 28 GLY N N 15 110.590 0.3 A 29 LEU H H 1 7.684 0.03 A 29 LEU HA H 1 4.784 0.03 A 29 LEU HBy H 1 1.716 0.03 A 29 LEU HBx H 1 1.086 0.03 A 29 LEU HD1% H 1 0.790 0.03 A 29 LEU HD2% H 1 0.753 0.03 A 29 LEU HG H 1 1.448 0.03 A 29 LEU C C 13 176.049 0.3 A 29 LEU CA C 13 54.524 0.3 A 29 LEU CB C 13 44.832 0.3 A 29 LEU CD1 C 13 24.728 0.3 A 29 LEU CD2 C 13 23.324 0.3 A 29 LEU CG C 13 26.400 0.3 A 29 LEU N N 15 120.068 0.3 A 30 VAL H H 1 9.275 0.03 A 30 VAL HA H 1 4.737 0.03 A 30 VAL HB H 1 2.213 0.03 A 30 VAL HG1% H 1 0.755 0.03 A 30 VAL HG2% H 1 0.758 0.03 A 30 VAL C C 13 175.772 0.3 A 30 VAL CA C 13 61.100 0.3 A 30 VAL CB C 13 31.779 0.3 A 30 VAL CG1 C 13 21.537 0.3 A 30 VAL CG2 C 13 20.937 0.3 A 30 VAL N N 15 124.778 0.3 A 31 SER H H 1 9.242 0.03 A 31 SER HA H 1 5.312 0.03 A 31 SER HBy H 1 3.959 0.03 A 31 SER HBx H 1 3.833 0.03 A 31 SER C C 13 173.086 0.3 A 31 SER CA C 13 57.648 0.3 A 31 SER CB C 13 64.530 0.3 A 31 SER N N 15 123.288 0.3 A 32 TYR H H 1 8.692 0.03 A 32 TYR HA H 1 5.016 0.03 A 32 TYR HBy H 1 2.959 0.03 A 32 TYR HBx H 1 2.716 0.03 A 32 TYR HD1 H 1 6.629 0.03 A 32 TYR HD2 H 1 6.629 0.03 A 32 TYR HE1 H 1 6.281 0.03 A 32 TYR HE2 H 1 6.281 0.03 A 32 TYR C C 13 172.432 0.3 A 32 TYR CA C 13 55.730 0.3 A 32 TYR CB C 13 40.144 0.3 A 32 TYR CD1 C 13 133.831 0.3 A 32 TYR CD2 C 13 133.831 0.3 A 32 TYR CE1 C 13 117.376 0.3 A 32 TYR CE2 C 13 117.376 0.3 A 32 TYR N N 15 121.184 0.3 A 33 HIS H H 1 8.921 0.03 A 33 HIS HA H 1 5.475 0.03 A 33 HIS HBy H 1 3.346 0.03 A 33 HIS HBx H 1 2.957 0.03 A 33 HIS HD2 H 1 6.984 0.03 A 33 HIS C C 13 175.665 0.3 A 33 HIS CA C 13 54.225 0.3 A 33 HIS CB C 13 31.029 0.3 A 33 HIS CD2 C 13 118.966 0.3 A 33 HIS N N 15 117.826 0.3 A 34 ASP H H 1 8.505 0.03 A 34 ASP HA H 1 4.874 0.03 A 34 ASP HBy H 1 3.697 0.03 A 34 ASP HBx H 1 2.739 0.03 A 34 ASP C C 13 176.933 0.3 A 34 ASP CA C 13 52.764 0.3 A 34 ASP CB C 13 40.966 0.3 A 34 ASP N N 15 122.972 0.3 A 35 GLN H H 1 8.548 0.03 A 35 GLN HA H 1 4.100 0.03 A 35 GLN HBy H 1 2.182 0.03 A 35 GLN HBx H 1 2.078 0.03 A 35 GLN HE2y H 1 7.619 0.03 A 35 GLN HE2x H 1 6.968 0.03 A 35 GLN HGy H 1 2.399 0.03 A 35 GLN HGx H 1 2.326 0.03 A 35 GLN C C 13 176.908 0.3 A 35 GLN CA C 13 58.754 0.3 A 35 GLN CB C 13 28.649 0.3 A 35 GLN CG C 13 35.004 0.3 A 35 GLN N N 15 114.399 0.3 A 35 GLN NE2 N 15 113.422 0.3 A 36 GLN H H 1 8.008 0.03 A 36 GLN HA H 1 4.422 0.03 A 36 GLN HBy H 1 2.313 0.03 A 36 GLN HBx H 1 2.046 0.03 A 36 GLN HE2y H 1 7.563 0.03 A 36 GLN HE2x H 1 6.844 0.03 A 36 GLN HGy H 1 2.394 0.03 A 36 GLN HGx H 1 2.323 0.03 A 36 GLN C C 13 175.865 0.3 A 36 GLN CA C 13 55.983 0.3 A 36 GLN CB C 13 29.277 0.3 A 36 GLN CG C 13 35.088 0.3 A 36 GLN N N 15 117.484 0.3 A 36 GLN NE2 N 15 112.386 0.3 A 37 GLY H H 1 8.122 0.03 A 37 GLY HAy H 1 4.234 0.03 A 37 GLY HAx H 1 3.762 0.03 A 37 GLY C C 13 174.901 0.3 A 37 GLY CA C 13 45.476 0.3 A 37 GLY N N 15 108.368 0.3 A 38 ASN H H 1 8.818 0.03 A 38 ASN HA H 1 4.559 0.03 A 38 ASN HBy H 1 2.784 0.03 A 38 ASN HBx H 1 2.440 0.03 A 38 ASN HD2y H 1 8.840 0.03 A 38 ASN HD2x H 1 7.155 0.03 A 38 ASN C C 13 174.871 0.3 A 38 ASN CA C 13 53.644 0.3 A 38 ASN CB C 13 38.819 0.3 A 38 ASN N N 15 121.219 0.3 A 38 ASN ND2 N 15 120.061 0.3 A 39 ALA H H 1 8.696 0.03 A 39 ALA HA H 1 3.971 0.03 A 39 ALA HB% H 1 1.206 0.03 A 39 ALA C C 13 176.345 0.3 A 39 ALA CA C 13 52.473 0.3 A 39 ALA CB C 13 18.223 0.3 A 39 ALA N N 15 126.575 0.3 A 40 MET H H 1 8.490 0.03 A 40 MET HA H 1 4.641 0.03 A 40 MET HBy H 1 1.471 0.03 A 40 MET HBx H 1 0.169 0.03 A 40 MET HE% H 1 2.055 0.03 A 40 MET HGy H 1 2.155 0.03 A 40 MET HGx H 1 2.058 0.03 A 40 MET CA C 13 53.137 0.3 A 40 MET CB C 13 35.868 0.3 A 40 MET CE C 13 17.369 0.3 A 40 MET CG C 13 32.139 0.3 A 40 MET N N 15 123.533 0.3 A 41 GLN H H 1 8.180 0.03 A 41 GLN HA H 1 5.675 0.03 A 41 GLN HBy H 1 1.865 0.03 A 41 GLN HBx H 1 1.863 0.03 A 41 GLN HE2y H 1 7.355 0.03 A 41 GLN HE2x H 1 6.761 0.03 A 41 GLN HGy H 1 2.296 0.03 A 41 GLN HGx H 1 2.216 0.03 A 41 GLN C C 13 175.023 0.3 A 41 GLN CA C 13 54.506 0.3 A 41 GLN CB C 13 33.595 0.3 A 41 GLN CG C 13 34.315 0.3 A 41 GLN N N 15 116.554 0.3 A 41 GLN NE2 N 15 112.320 0.3 A 42 ILE H H 1 9.081 0.03 A 42 ILE HA H 1 4.632 0.03 A 42 ILE HB H 1 1.927 0.03 A 42 ILE HD1% H 1 0.747 0.03 A 42 ILE HG1y H 1 1.768 0.03 A 42 ILE HG1x H 1 1.353 0.03 A 42 ILE HG2% H 1 0.715 0.03 A 42 ILE C C 13 172.557 0.3 A 42 ILE CA C 13 59.994 0.3 A 42 ILE CB C 13 42.423 0.3 A 42 ILE CD1 C 13 14.268 0.3 A 42 ILE CG1 C 13 28.013 0.3 A 42 ILE CG2 C 13 16.184 0.3 A 42 ILE N N 15 121.235 0.3 A 43 ASN H H 1 8.833 0.03 A 43 ASN HA H 1 4.671 0.03 A 43 ASN HBy H 1 2.875 0.03 A 43 ASN HBx H 1 2.801 0.03 A 43 ASN HD2y H 1 7.744 0.03 A 43 ASN HD2x H 1 6.938 0.03 A 43 ASN C C 13 176.917 0.3 A 43 ASN CA C 13 54.732 0.3 A 43 ASN CB C 13 38.351 0.3 A 43 ASN N N 15 125.983 0.3 A 43 ASN ND2 N 15 112.728 0.3 A 44 ARG H H 1 9.012 0.03 A 44 ARG HA H 1 3.717 0.03 A 44 ARG HBx H 1 1.667 0.03 A 44 ARG HBy H 1 1.673 0.03 A 44 ARG HDy H 1 3.067 0.03 A 44 ARG HDx H 1 3.012 0.03 A 44 ARG HE H 1 6.767 0.03 A 44 ARG HG2 H 1 1.795 0.03 A 44 ARG HG3 H 1 1.795 0.03 A 44 ARG CA C 13 59.588 0.3 A 44 ARG CB C 13 29.543 0.3 A 44 ARG CD C 13 43.682 0.3 A 44 ARG CG C 13 26.388 0.3 A 44 ARG N N 15 126.736 0.3 A 44 ARG NE N 15 89.8 0.3 A 45 ASP H H 1 8.777 0.03 A 45 ASP HA H 1 4.375 0.03 A 45 ASP HBy H 1 2.643 0.03 A 45 ASP HBx H 1 2.465 0.03 A 45 ASP C C 13 176.180 0.3 A 45 ASP CA C 13 56.563 0.3 A 45 ASP CB C 13 40.550 0.3 A 45 ASP N N 15 116.496 0.3 A 46 ASP H H 1 7.742 0.03 A 46 ASP HA H 1 4.713 0.03 A 46 ASP HBy H 1 2.899 0.03 A 46 ASP HBx H 1 2.810 0.03 A 46 ASP CA C 13 55.141 0.3 A 46 ASP CB C 13 41.579 0.3 A 46 ASP N N 15 116.007 0.3 A 47 VAL H H 1 7.845 0.03 A 47 VAL HA H 1 3.865 0.03 A 47 VAL HB H 1 2.151 0.03 A 47 VAL HG1% H 1 0.814 0.03 A 47 VAL HG2% H 1 0.740 0.03 A 47 VAL CA C 13 63.683 0.3 A 47 VAL CB C 13 33.102 0.3 A 47 VAL CG1 C 13 22.985 0.3 A 47 VAL CG2 C 13 22.730 0.3 A 47 VAL N N 15 122.763 0.3 A 48 SER H H 1 9.168 0.03 A 48 SER HA H 1 4.674 0.03 A 48 SER HBy H 1 3.643 0.03 A 48 SER HBx H 1 3.566 0.03 A 48 SER CA C 13 58.815 0.3 A 48 SER CB C 13 64.396 0.3 A 48 SER N N 15 120.109 0.3 A 49 GLN H H 1 7.919 0.03 A 49 GLN N N 15 116.294 0.3 A 50 ILE HA H 1 4.573 0.03 A 50 ILE HD1% H 1 0.748 0.03 A 50 ILE HG2% H 1 0.949 0.03 A 50 ILE CA C 13 61.632 0.3 A 50 ILE CB C 13 39.408 0.3 A 50 ILE CD1 C 13 13.225 0.3 A 50 ILE CG1 C 13 28.155 0.3 A 50 ILE CG2 C 13 17.962 0.3 A 51 ILE HA H 1 4.483 0.03 A 51 ILE HB H 1 1.881 0.03 A 51 ILE HD1% H 1 0.770 0.03 A 51 ILE HG1y H 1 1.378 0.03 A 51 ILE HG1x H 1 0.938 0.03 A 51 ILE HG2% H 1 0.680 0.03 A 51 ILE CA C 13 61.433 0.3 A 51 ILE CB C 13 40.807 0.3 A 51 ILE CD1 C 13 14.209 0.3 A 51 ILE CG1 C 13 28.362 0.3 A 51 ILE CG2 C 13 17.864 0.3 A 52 GLU C C 13 176.891 0.3 A 53 ARG H H 1 8.450 0.03 A 53 ARG HA H 1 4.184 0.03 A 53 ARG CA C 13 56.22 0.3 A 53 ARG CB C 13 30.56 0.3 A 53 ARG N N 15 121.410 0.3 A 54 LEU HA H 1 4.205 0.03 A 54 LEU HB2 H 1 1.442 0.03 A 54 LEU HB3 H 1 1.442 0.03 A 54 LEU HDx% H 1 0.702 0.03 A 54 LEU HDy% H 1 0.670 0.03 A 54 LEU HG H 1 1.285 0.03 A 54 LEU CA C 13 56.072 0.3 A 54 LEU CB C 13 41.969 0.3 A 54 LEU CDy C 13 25.038 0.3 A 54 LEU CDx C 13 23.652 0.3 A 54 LEU CG C 13 29.060 0.3 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 6 VAL H A 7 MET H 1.0 1.8 5.0 2 2 A 6 VAL HA A 7 MET H 1.0 1.8 5.0 3 3 A 6 VAL HB A 7 MET H 1.0 1.8 5.0 4 4 A 6 VAL HB A 16 LEU HD1% 1.0 1.8 5.0 5 4 A 6 VAL HB A 16 LEU HD2% 1.0 1.8 5.0 6 5 A 7 MET H A 6 VAL HGx% 1.0 1.8 5.0 7 5 A 6 VAL HGy% A 7 MET H 1.0 1.8 5.0 8 6 A 8 ALA HB% A 6 VAL HGx% 1.0 1.8 5.0 9 6 A 6 VAL HGy% A 8 ALA HB% 1.0 1.8 5.0 10 7 A 6 VAL HGx% A 14 MET HGy 1.0 1.8 5.0 11 7 A 6 VAL HGy% A 14 MET HGy 1.0 1.8 5.0 12 7 A 14 MET HGx A 6 VAL HGx% 1.0 1.8 5.0 13 7 A 6 VAL HGy% A 14 MET HGx 1.0 1.8 5.0 14 8 A 15 ILE H A 6 VAL HGx% 1.0 1.8 5.0 15 8 A 6 VAL HGy% A 15 ILE H 1.0 1.8 5.0 16 9 A 15 ILE HA A 6 VAL HGx% 1.0 1.8 5.0 17 9 A 6 VAL HGy% A 15 ILE HA 1.0 1.8 5.0 18 10 A 50 ILE HA A 6 VAL HGx% 1.0 1.8 5.0 19 10 A 6 VAL HGy% A 50 ILE HA 1.0 1.8 5.0 20 11 A 15 ILE H A 7 MET H 1.0 1.8 3.5 21 12 A 17 THR HG2% A 7 MET H 1.0 1.8 5.0 22 13 A 7 MET HA A 8 ALA H 1.0 1.8 3.5 23 14 A 50 ILE HA A 7 MET HA 1.0 1.8 5.0 24 15 A 7 MET HA A 50 ILE HG2% 1.0 1.8 5.0 25 16 A 7 MET HA A 50 ILE HD1% 1.0 1.8 5.0 26 17 A 15 ILE HB A 7 MET HBy 1.0 1.8 5.0 27 17 A 7 MET HBx A 15 ILE HB 1.0 1.8 5.0 28 18 A 15 ILE HG2% A 7 MET HBy 1.0 1.8 5.0 29 18 A 7 MET HBx A 15 ILE HG2% 1.0 1.8 5.0 30 19 A 50 ILE HA A 7 MET HBy 1.0 1.8 5.0 31 19 A 50 ILE HA A 7 MET HBx 1.0 1.8 5.0 32 20 A 50 ILE HG2% A 7 MET HBy 1.0 1.8 5.0 33 20 A 50 ILE HG2% A 7 MET HBx 1.0 1.8 5.0 34 21 A 8 ALA H A 7 MET HGx 1.0 1.8 5.0 35 21 A 8 ALA H A 7 MET HGy 1.0 1.8 5.0 36 22 A 15 ILE HB A 7 MET HGx 1.0 1.8 5.0 37 22 A 15 ILE HB A 7 MET HGy 1.0 1.8 5.0 38 23 A 15 ILE HG2% A 7 MET HGx 1.0 1.8 5.0 39 23 A 15 ILE HG2% A 7 MET HGy 1.0 1.8 5.0 40 24 A 17 THR HG2% A 7 MET HGy 1.0 1.8 5.0 41 25 A 17 THR HG2% A 7 MET HGx 1.0 1.8 5.0 42 26 A 50 ILE HG2% A 7 MET HGx 1.0 1.8 5.0 43 26 A 50 ILE HG2% A 7 MET HGy 1.0 1.8 5.0 44 27 A 50 ILE HD1% A 7 MET HGx 1.0 1.8 5.0 45 27 A 50 ILE HD1% A 7 MET HGy 1.0 1.8 5.0 46 28 A 15 ILE HB A 7 MET HE% 1.0 1.8 5.0 47 29 A 15 ILE HG2% A 7 MET HE% 1.0 1.8 5.0 48 30 A 7 MET HE% A 15 ILE HD1% 1.0 1.8 5.0 49 31 A 7 MET HE% A 32 TYR HBy 1.0 1.8 5.0 50 32 A 7 MET HE% A 32 TYR HBx 1.0 1.8 5.0 51 33 A 7 MET HE% A 32 TYR HD% 1.0 1.8 5.0 52 34 A 7 MET HE% A 32 TYR HE% 1.0 1.8 5.0 53 35 A 7 MET HE% A 42 ILE HG2% 1.0 1.8 5.0 54 36 A 7 MET HE% A 42 ILE HD1% 1.0 1.8 5.0 55 37 A 7 MET HE% A 47 VAL HG2% 1.0 1.8 5.0 56 37 A 7 MET HE% A 47 VAL HG1% 1.0 1.8 5.0 57 38 A 8 ALA H A 49 GLN H 1.0 1.8 4.0 58 39 A 50 ILE HA A 8 ALA H 1.0 1.8 5.0 59 40 A 8 ALA HA A 9 THR H 1.0 1.8 5.0 60 41 A 8 ALA HA A 9 THR HG2% 1.0 1.8 5.0 61 42 A 8 ALA HA A 14 MET HA 1.0 1.8 5.0 62 43 A 8 ALA HA A 14 MET HE% 1.0 1.8 5.0 63 44 A 8 ALA HA A 15 ILE H 1.0 1.8 5.0 64 45 A 8 ALA HB% A 14 MET HA 1.0 1.8 5.0 65 46 A 8 ALA HB% A 48 SER HBy 1.0 1.8 5.0 66 46 A 8 ALA HB% A 48 SER HBx 1.0 1.8 5.0 67 47 A 8 ALA HB% A 49 GLN H 1.0 1.8 5.0 68 48 A 8 ALA HB% A 50 ILE HA 1.0 1.8 5.0 69 49 A 13 ARG H A 9 THR H 1.0 1.8 5.0 70 50 A 14 MET HA A 9 THR H 1.0 1.8 5.0 71 51 A 9 THR HA A 10 LYS H 1.0 1.8 3.5 72 52 A 9 THR HA A 47 VAL HA 1.0 1.8 3.5 73 53 A 47 VAL HG1% A 9 THR HA 1.0 1.8 5.0 74 54 A 9 THR HA A 47 VAL HG2% 1.0 1.8 5.0 75 55 A 9 THR HA A 48 SER H 1.0 1.8 5.0 76 56 A 9 THR HA A 48 SER HBy 1.0 1.8 5.0 77 56 A 48 SER HBx A 9 THR HA 1.0 1.8 5.0 78 57 A 10 LYS H A 9 THR HB 1.0 1.8 3.5 79 58 A 9 THR HB A 12 GLY H 1.0 1.8 5.0 80 59 A 9 THR HB A 13 ARG HGy 1.0 1.8 5.0 81 60 A 9 THR HB A 13 ARG HGx 1.0 1.8 5.0 82 61 A 42 ILE HD1% A 9 THR HB 1.0 1.8 5.0 83 62 A 47 VAL HA A 9 THR HB 1.0 1.8 5.0 84 63 A 9 THR HB A 48 SER HBy 1.0 1.8 5.0 85 64 A 48 SER HBx A 9 THR HB 1.0 1.8 5.0 86 65 A 9 THR HG2% A 13 ARG H 1.0 1.8 5.0 87 66 A 9 THR HG2% A 15 ILE H 1.0 1.8 5.0 88 67 A 9 THR HG2% A 15 ILE HG1y 1.0 1.8 5.0 89 67 A 9 THR HG2% A 15 ILE HG1x 1.0 1.8 5.0 90 68 A 15 ILE HD1% A 9 THR HG2% 1.0 1.8 5.0 91 69 A 42 ILE HD1% A 9 THR HG2% 1.0 1.8 5.0 92 70 A 9 THR HG2% A 46 ASP HBx 1.0 1.8 5.0 93 70 A 9 THR HG2% A 46 ASP HBy 1.0 1.8 5.0 94 71 A 9 THR HG2% A 47 VAL HA 1.0 1.8 5.0 95 72 A 47 VAL HG1% A 9 THR HG2% 1.0 1.8 5.0 96 73 A 9 THR HG2% A 47 VAL HG2% 1.0 1.8 5.0 97 74 A 12 GLY H A 11 ASP H 1.0 1.8 3.5 98 75 A 11 ASP H A 48 SER HBy 1.0 1.8 5.0 99 75 A 48 SER HBx A 11 ASP H 1.0 1.8 5.0 100 76 A 12 GLY H A 11 ASP HA 1.0 1.8 5.0 101 77 A 13 ARG H A 11 ASP HBy 1.0 1.8 5.0 102 77 A 13 ARG H A 11 ASP HBx 1.0 1.8 5.0 103 78 A 13 ARG HGy A 11 ASP HBy 1.0 1.8 5.0 104 78 A 11 ASP HBx A 13 ARG HGy 1.0 1.8 5.0 105 79 A 11 ASP HBy A 13 ARG HGx 1.0 1.8 5.0 106 79 A 11 ASP HBx A 13 ARG HGx 1.0 1.8 5.0 107 80 A 11 ASP HBx A 13 ARG HDy 1.0 1.8 5.0 108 80 A 13 ARG HDy A 11 ASP HBy 1.0 1.8 5.0 109 81 A 11 ASP HBy A 13 ARG HDx 1.0 1.8 5.0 110 81 A 11 ASP HBx A 13 ARG HDx 1.0 1.8 5.0 111 82 A 13 ARG H A 12 GLY H 1.0 1.8 2.9 112 83 A 13 ARG H A 12 GLY HAy 1.0 1.8 5.0 113 84 A 13 ARG H A 12 GLY HAx 1.0 1.8 5.0 114 85 A 13 ARG H A 14 MET H 1.0 1.8 5.0 115 86 A 14 MET H A 13 ARG HA 1.0 1.8 2.9 116 87 A 14 MET H A 13 ARG HBy 1.0 1.8 5.0 117 88 A 14 MET H A 13 ARG HBx 1.0 1.8 5.0 118 89 A 13 ARG HBx A 15 ILE HG1y 1.0 1.8 5.0 119 89 A 13 ARG HBy A 15 ILE HG1y 1.0 1.8 5.0 120 89 A 15 ILE HG1x A 13 ARG HBy 1.0 1.8 5.0 121 89 A 15 ILE HG1x A 13 ARG HBx 1.0 1.8 5.0 122 90 A 15 ILE HD1% A 13 ARG HBy 1.0 1.8 5.0 123 90 A 15 ILE HD1% A 13 ARG HBx 1.0 1.8 5.0 124 91 A 14 MET H A 13 ARG HGy 1.0 1.8 5.0 125 92 A 14 MET H A 13 ARG HGx 1.0 1.8 5.0 126 93 A 13 ARG HGx A 15 ILE HG1y 1.0 1.8 5.0 127 93 A 13 ARG HGy A 15 ILE HG1y 1.0 1.8 5.0 128 93 A 15 ILE HG1x A 13 ARG HGx 1.0 1.8 5.0 129 93 A 15 ILE HG1x A 13 ARG HGy 1.0 1.8 5.0 130 94 A 13 ARG HDx A 15 ILE HG1y 1.0 1.8 5.0 131 94 A 13 ARG HDy A 15 ILE HG1y 1.0 1.8 5.0 132 94 A 15 ILE HG1x A 13 ARG HDx 1.0 1.8 5.0 133 94 A 15 ILE HG1x A 13 ARG HDy 1.0 1.8 5.0 134 95 A 15 ILE HD1% A 13 ARG HDy 1.0 1.8 5.0 135 96 A 15 ILE HD1% A 13 ARG HDx 1.0 1.8 5.0 136 97 A 14 MET HA A 15 ILE H 1.0 1.8 3.5 137 98 A 15 ILE H A 14 MET HBy 1.0 1.8 5.0 138 98 A 14 MET HBx A 15 ILE H 1.0 1.8 5.0 139 99 A 14 MET HBx A 16 LEU HD1% 1.0 1.8 5.0 140 99 A 16 LEU HD2% A 14 MET HBy 1.0 1.8 5.0 141 99 A 16 LEU HD2% A 14 MET HBx 1.0 1.8 5.0 142 99 A 14 MET HBy A 16 LEU HD1% 1.0 1.8 5.0 143 100 A 14 MET HGy A 16 LEU HD1% 1.0 1.8 5.0 144 100 A 14 MET HGx A 16 LEU HD1% 1.0 1.8 5.0 145 100 A 16 LEU HD2% A 14 MET HGy 1.0 1.8 5.0 146 100 A 16 LEU HD2% A 14 MET HGx 1.0 1.8 5.0 147 101 A 16 LEU H A 15 ILE H 1.0 1.8 5.0 148 102 A 15 ILE HA A 16 LEU H 1.0 1.8 2.9 149 103 A 15 ILE HA A 16 LEU HBy 1.0 1.8 5.0 150 103 A 15 ILE HA A 16 LEU HBx 1.0 1.8 5.0 151 104 A 17 THR HG2% A 15 ILE HB 1.0 1.8 5.0 152 105 A 16 LEU H A 15 ILE HG1y 1.0 1.8 5.0 153 105 A 15 ILE HG1x A 16 LEU H 1.0 1.8 5.0 154 106 A 15 ILE HG2% A 16 LEU H 1.0 1.8 5.0 155 107 A 15 ILE HG2% A 16 LEU HD1% 1.0 1.8 5.0 156 107 A 16 LEU HD2% A 15 ILE HG2% 1.0 1.8 5.0 157 108 A 15 ILE HG2% A 17 THR HB 1.0 1.8 5.0 158 109 A 17 THR HG2% A 15 ILE HG2% 1.0 1.8 5.0 159 110 A 15 ILE HG2% A 32 TYR HD% 1.0 1.8 5.0 160 111 A 15 ILE HG2% A 32 TYR HE% 1.0 1.8 5.0 161 112 A 15 ILE HG2% A 40 MET HE% 1.0 1.8 5.0 162 113 A 15 ILE HD1% A 32 TYR HE% 1.0 1.8 5.0 163 114 A 16 LEU HA A 17 THR HA 1.0 1.8 5.0 164 115 A 16 LEU HBx A 35 GLN HGy 1.0 1.8 5.0 165 115 A 35 GLN HGy A 16 LEU HBy 1.0 1.8 5.0 166 116 A 16 LEU HBx A 35 GLN HGx 1.0 1.8 5.0 167 116 A 16 LEU HBy A 35 GLN HGx 1.0 1.8 5.0 168 117 A 35 GLN HE2y A 16 LEU HBy 1.0 1.8 5.0 169 117 A 16 LEU HBx A 35 GLN HE2y 1.0 1.8 5.0 170 118 A 35 GLN HE2x A 16 LEU HBy 1.0 1.8 5.0 171 118 A 16 LEU HBx A 35 GLN HE2x 1.0 1.8 5.0 172 119 A 16 LEU HD2% A 35 GLN HBy 1.0 1.8 5.0 173 119 A 16 LEU HD1% A 35 GLN HBy 1.0 1.8 5.0 174 119 A 35 GLN HBx A 16 LEU HD1% 1.0 1.8 5.0 175 119 A 16 LEU HD2% A 35 GLN HBx 1.0 1.8 5.0 176 120 A 35 GLN HGy A 16 LEU HD1% 1.0 1.8 5.0 177 120 A 16 LEU HD1% A 35 GLN HGx 1.0 1.8 5.0 178 121 A 16 LEU HD2% A 35 GLN HGy 1.0 1.8 5.0 179 121 A 16 LEU HD2% A 35 GLN HGx 1.0 1.8 5.0 180 122 A 35 GLN HE2y A 16 LEU HD1% 1.0 1.8 5.0 181 122 A 16 LEU HD2% A 35 GLN HE2y 1.0 1.8 5.0 182 123 A 35 GLN HE2x A 16 LEU HD1% 1.0 1.8 5.0 183 123 A 16 LEU HD2% A 35 GLN HE2x 1.0 1.8 5.0 184 124 A 17 THR HA A 18 ASP H 1.0 1.8 3.5 185 125 A 17 THR HA A 32 TYR HBx 1.0 1.8 5.0 186 125 A 17 THR HA A 32 TYR HBy 1.0 1.8 5.0 187 126 A 32 TYR HD% A 17 THR HA 1.0 1.8 5.0 188 127 A 17 THR HA A 34 ASP HA 1.0 1.8 5.0 189 128 A 17 THR HB A 18 ASP H 1.0 1.8 5.0 190 129 A 17 THR HB A 20 LYS H 1.0 1.8 5.0 191 130 A 17 THR HB A 32 TYR HBx 1.0 1.8 5.0 192 130 A 17 THR HB A 32 TYR HBy 1.0 1.8 5.0 193 131 A 32 TYR HD% A 17 THR HB 1.0 1.8 5.0 194 132 A 17 THR HB A 33 HIS H 1.0 1.8 5.0 195 133 A 17 THR HG2% A 32 TYR HBy 1.0 1.8 5.0 196 134 A 17 THR HG2% A 32 TYR HBx 1.0 1.8 5.0 197 135 A 17 THR HG2% A 32 TYR HD% 1.0 1.8 5.0 198 136 A 17 THR HG2% A 33 HIS H 1.0 1.8 5.0 199 137 A 17 THR HG2% A 42 ILE HG2% 1.0 1.8 5.0 200 138 A 21 PRO HA A 22 GLU H 1.0 1.8 2.9 201 139 A 21 PRO HA A 30 VAL HG1% 1.0 1.8 5.0 202 140 A 21 PRO HA A 32 TYR HA 1.0 1.8 5.0 203 141 A 32 TYR HBy A 21 PRO HA 1.0 1.8 5.0 204 142 A 21 PRO HA A 32 TYR HBx 1.0 1.8 5.0 205 143 A 22 GLU H A 21 PRO HBx 1.0 1.8 5.0 206 144 A 30 VAL HG1% A 21 PRO HBy 1.0 1.8 5.0 207 144 A 21 PRO HBy A 30 VAL HG2% 1.0 1.8 5.0 208 145 A 30 VAL HG1% A 21 PRO HBx 1.0 1.8 5.0 209 145 A 21 PRO HBx A 30 VAL HG2% 1.0 1.8 5.0 210 146 A 21 PRO HBy A 32 TYR HBx 1.0 1.8 5.0 211 146 A 21 PRO HBx A 32 TYR HBx 1.0 1.8 5.0 212 146 A 32 TYR HBy A 21 PRO HBx 1.0 1.8 5.0 213 146 A 32 TYR HBy A 21 PRO HBy 1.0 1.8 5.0 214 147 A 30 VAL HG1% A 21 PRO HGy 1.0 1.8 5.0 215 147 A 30 VAL HG1% A 21 PRO HGx 1.0 1.8 5.0 216 148 A 21 PRO HGy A 30 VAL HG2% 1.0 1.8 5.0 217 148 A 21 PRO HGx A 30 VAL HG2% 1.0 1.8 5.0 218 149 A 21 PRO HGx A 32 TYR HBx 1.0 1.8 5.0 219 149 A 21 PRO HGy A 32 TYR HBx 1.0 1.8 5.0 220 149 A 32 TYR HBy A 21 PRO HGy 1.0 1.8 5.0 221 149 A 32 TYR HBy A 21 PRO HGx 1.0 1.8 5.0 222 150 A 50 ILE HG2% A 21 PRO HGy 1.0 1.8 5.0 223 150 A 50 ILE HG2% A 21 PRO HGx 1.0 1.8 5.0 224 151 A 50 ILE HD1% A 21 PRO HGy 1.0 1.8 5.0 225 151 A 50 ILE HD1% A 21 PRO HGx 1.0 1.8 5.0 226 152 A 21 PRO HDx A 32 TYR HBx 1.0 1.8 5.0 227 152 A 21 PRO HDy A 32 TYR HBx 1.0 1.8 5.0 228 152 A 32 TYR HBy A 21 PRO HDy 1.0 1.8 5.0 229 152 A 32 TYR HBy A 21 PRO HDx 1.0 1.8 5.0 230 153 A 30 VAL HA A 22 GLU H 1.0 1.8 5.0 231 154 A 30 VAL HG1% A 22 GLU H 1.0 1.8 5.0 232 154 A 22 GLU H A 30 VAL HG2% 1.0 1.8 5.0 233 155 A 31 SER HBy A 22 GLU H 1.0 1.8 5.0 234 156 A 31 SER HBx A 22 GLU H 1.0 1.8 5.0 235 157 A 32 TYR HA A 22 GLU H 1.0 1.8 5.0 236 158 A 22 GLU HA A 23 ILE H 1.0 1.8 3.5 237 159 A 22 GLU HA A 23 ILE HG1y 1.0 1.8 5.0 238 160 A 22 GLU HA A 23 ILE HG1x 1.0 1.8 5.0 239 161 A 23 ILE H A 22 GLU HBx 1.0 1.8 5.0 240 161 A 23 ILE H A 22 GLU HBy 1.0 1.8 5.0 241 162 A 22 GLU HBy A 31 SER H 1.0 1.8 5.0 242 163 A 31 SER H A 22 GLU HBx 1.0 1.8 5.0 243 164 A 31 SER HBy A 22 GLU HBy 1.0 1.8 5.0 244 165 A 31 SER HBx A 22 GLU HBy 1.0 1.8 5.0 245 166 A 31 SER HBy A 22 GLU HBx 1.0 1.8 5.0 246 167 A 31 SER HBx A 22 GLU HBx 1.0 1.8 5.0 247 168 A 23 ILE H A 24 ASP H 1.0 1.8 5.0 248 169 A 23 ILE HA A 24 ASP H 1.0 1.8 2.9 249 170 A 23 ILE HA A 24 ASP HBx 1.0 1.8 5.0 250 170 A 23 ILE HA A 24 ASP HBy 1.0 1.8 5.0 251 171 A 30 VAL HA A 23 ILE HA 1.0 1.8 5.0 252 172 A 30 VAL HG1% A 23 ILE HA 1.0 1.8 5.0 253 173 A 23 ILE HA A 30 VAL HG2% 1.0 1.8 5.0 254 174 A 23 ILE HA A 31 SER H 1.0 1.8 5.0 255 175 A 23 ILE HB A 24 ASP H 1.0 1.8 5.0 256 176 A 30 VAL HB A 23 ILE HG1x 1.0 1.8 5.0 257 176 A 23 ILE HG1y A 30 VAL HB 1.0 1.8 5.0 258 177 A 30 VAL HG1% A 23 ILE HG1y 1.0 1.8 5.0 259 178 A 23 ILE HG1y A 30 VAL HG2% 1.0 1.8 5.0 260 179 A 30 VAL HG1% A 23 ILE HG1x 1.0 1.8 5.0 261 180 A 23 ILE HG1x A 30 VAL HG2% 1.0 1.8 5.0 262 181 A 47 VAL HG1% A 23 ILE HG1y 1.0 1.8 5.0 263 181 A 23 ILE HG1y A 47 VAL HG2% 1.0 1.8 5.0 264 182 A 47 VAL HG1% A 23 ILE HG1x 1.0 1.8 5.0 265 182 A 23 ILE HG1x A 47 VAL HG2% 1.0 1.8 5.0 266 183 A 23 ILE HG2% A 24 ASP H 1.0 1.8 5.0 267 184 A 23 ILE HG2% A 24 ASP HA 1.0 1.8 5.0 268 185 A 23 ILE HG2% A 25 ASP H 1.0 1.8 5.0 269 186 A 23 ILE HG2% A 25 ASP HA 1.0 1.8 5.0 270 187 A 23 ILE HG2% A 25 ASP HBy 1.0 1.8 5.0 271 187 A 23 ILE HG2% A 25 ASP HBx 1.0 1.8 5.0 272 188 A 30 VAL HB A 23 ILE HG2% 1.0 1.8 5.0 273 189 A 23 ILE HG2% A 30 VAL HG2% 1.0 1.8 5.0 274 189 A 30 VAL HG1% A 23 ILE HG2% 1.0 1.8 5.0 275 190 A 23 ILE HG2% A 44 ARG HA 1.0 1.8 5.0 276 191 A 23 ILE HG2% A 44 ARG HG2 1.0 1.8 5.0 277 191 A 23 ILE HG2% A 44 ARG HG3 1.0 1.8 5.0 278 192 A 23 ILE HG2% A 44 ARG HDy 1.0 1.8 5.0 279 192 A 23 ILE HG2% A 44 ARG HDx 1.0 1.8 5.0 280 193 A 23 ILE HD1% A 44 ARG HDy 1.0 1.8 5.0 281 193 A 44 ARG HDx A 23 ILE HD1% 1.0 1.8 5.0 282 194 A 25 ASP H A 24 ASP H 1.0 1.8 5.0 283 195 A 29 LEU H A 24 ASP H 1.0 1.8 5.0 284 196 A 30 VAL HA A 24 ASP H 1.0 1.8 5.0 285 197 A 30 VAL HG1% A 24 ASP H 1.0 1.8 5.0 286 197 A 24 ASP H A 30 VAL HG2% 1.0 1.8 5.0 287 198 A 31 SER H A 24 ASP H 1.0 1.8 5.0 288 199 A 24 ASP HA A 25 ASP H 1.0 1.8 3.5 289 200 A 24 ASP HA A 25 ASP HBy 1.0 1.8 5.0 290 200 A 24 ASP HA A 25 ASP HBx 1.0 1.8 5.0 291 201 A 24 ASP HA A 26 ASP H 1.0 1.8 5.0 292 202 A 25 ASP H A 24 ASP HBx 1.0 1.8 5.0 293 202 A 24 ASP HBy A 25 ASP H 1.0 1.8 5.0 294 203 A 27 THR H A 24 ASP HBx 1.0 1.8 5.0 295 203 A 24 ASP HBy A 27 THR H 1.0 1.8 5.0 296 204 A 24 ASP HBy A 27 THR HG2% 1.0 1.8 5.0 297 205 A 27 THR HG2% A 24 ASP HBx 1.0 1.8 5.0 298 206 A 28 GLY H A 24 ASP HBx 1.0 1.8 5.0 299 206 A 24 ASP HBy A 28 GLY H 1.0 1.8 5.0 300 207 A 24 ASP HBy A 29 LEU H 1.0 1.8 5.0 301 208 A 29 LEU H A 24 ASP HBx 1.0 1.8 5.0 302 209 A 24 ASP HBy A 29 LEU HBx 1.0 1.8 5.0 303 209 A 24 ASP HBy A 29 LEU HBy 1.0 1.8 5.0 304 210 A 29 LEU HBx A 24 ASP HBx 1.0 1.8 5.0 305 210 A 24 ASP HBx A 29 LEU HBy 1.0 1.8 5.0 306 211 A 24 ASP HBy A 29 LEU HD1% 1.0 1.8 5.0 307 211 A 24 ASP HBx A 29 LEU HD1% 1.0 1.8 5.0 308 211 A 29 LEU HD2% A 24 ASP HBx 1.0 1.8 5.0 309 211 A 24 ASP HBy A 29 LEU HD2% 1.0 1.8 5.0 310 212 A 25 ASP H A 26 ASP H 1.0 1.8 3.5 311 213 A 25 ASP H A 26 ASP HA 1.0 1.8 5.0 312 214 A 25 ASP H A 26 ASP HBx 1.0 1.8 5.0 313 214 A 25 ASP H A 26 ASP HBy 1.0 1.8 5.0 314 215 A 25 ASP H A 27 THR H 1.0 1.8 5.0 315 216 A 25 ASP HA A 26 ASP H 1.0 1.8 5.0 316 217 A 25 ASP HA A 27 THR H 1.0 1.8 5.0 317 218 A 25 ASP HA A 28 GLY H 1.0 1.8 5.0 318 219 A 25 ASP HA A 28 GLY HAy 1.0 1.8 5.0 319 219 A 25 ASP HA A 28 GLY HAx 1.0 1.8 5.0 320 220 A 26 ASP H A 25 ASP HBy 1.0 1.8 5.0 321 220 A 25 ASP HBx A 26 ASP H 1.0 1.8 5.0 322 221 A 26 ASP H A 27 THR H 1.0 1.8 3.5 323 222 A 26 ASP H A 27 THR HG2% 1.0 1.8 5.0 324 223 A 26 ASP H A 28 GLY H 1.0 1.8 5.0 325 224 A 27 THR H A 26 ASP HA 1.0 1.8 5.0 326 225 A 28 GLY H A 26 ASP HA 1.0 1.8 5.0 327 226 A 27 THR H A 26 ASP HBy 1.0 1.8 5.0 328 227 A 27 THR H A 26 ASP HBx 1.0 1.8 5.0 329 228 A 27 THR HG2% A 26 ASP HBy 1.0 1.8 5.0 330 229 A 27 THR HG2% A 26 ASP HBx 1.0 1.8 5.0 331 230 A 27 THR H A 28 GLY H 1.0 1.8 3.5 332 231 A 27 THR H A 28 GLY HAy 1.0 1.8 5.0 333 232 A 27 THR H A 28 GLY HAx 1.0 1.8 5.0 334 233 A 28 GLY H A 27 THR HA 1.0 1.8 5.0 335 234 A 28 GLY H A 27 THR HB 1.0 1.8 5.0 336 235 A 29 LEU H A 27 THR HB 1.0 1.8 5.0 337 236 A 27 THR HB A 29 LEU HG 1.0 1.8 5.0 338 237 A 27 THR HB A 29 LEU HD1% 1.0 1.8 5.0 339 238 A 29 LEU HD2% A 27 THR HB 1.0 1.8 5.0 340 239 A 27 THR HG2% A 28 GLY H 1.0 1.8 5.0 341 240 A 29 LEU H A 27 THR HG2% 1.0 1.8 5.0 342 241 A 27 THR HG2% A 29 LEU HD1% 1.0 1.8 5.0 343 241 A 27 THR HG2% A 29 LEU HD2% 1.0 1.8 5.0 344 242 A 29 LEU H A 28 GLY H 1.0 1.8 3.5 345 243 A 28 GLY H A 29 LEU HA 1.0 1.8 5.0 346 244 A 28 GLY H A 29 LEU HBy 1.0 1.8 5.0 347 244 A 28 GLY H A 29 LEU HBx 1.0 1.8 5.0 348 245 A 29 LEU H A 28 GLY HAy 1.0 1.8 5.0 349 246 A 29 LEU H A 28 GLY HAx 1.0 1.8 5.0 350 247 A 28 GLY HAx A 29 LEU HD1% 1.0 1.8 5.0 351 247 A 29 LEU HD2% A 28 GLY HAy 1.0 1.8 5.0 352 247 A 29 LEU HD2% A 28 GLY HAx 1.0 1.8 5.0 353 247 A 28 GLY HAy A 29 LEU HD1% 1.0 1.8 5.0 354 248 A 44 ARG H A 28 GLY HAy 1.0 1.8 5.0 355 248 A 28 GLY HAx A 44 ARG H 1.0 1.8 5.0 356 249 A 28 GLY HAx A 44 ARG HBx 1.0 1.8 5.0 357 249 A 28 GLY HAy A 44 ARG HBx 1.0 1.8 5.0 358 249 A 44 ARG HBy A 28 GLY HAy 1.0 1.8 5.0 359 249 A 28 GLY HAx A 44 ARG HBy 1.0 1.8 5.0 360 250 A 28 GLY HAy A 44 ARG HDy 1.0 1.8 5.0 361 250 A 28 GLY HAx A 44 ARG HDy 1.0 1.8 5.0 362 250 A 44 ARG HDx A 28 GLY HAy 1.0 1.8 5.0 363 250 A 44 ARG HDx A 28 GLY HAx 1.0 1.8 5.0 364 251 A 29 LEU H A 30 VAL H 1.0 1.8 5.0 365 252 A 29 LEU HA A 30 VAL H 1.0 1.8 5.0 366 253 A 29 LEU HA A 42 ILE H 1.0 1.8 5.0 367 254 A 29 LEU HA A 44 ARG H 1.0 1.8 3.5 368 255 A 29 LEU HA A 44 ARG HBx 1.0 1.8 5.0 369 255 A 29 LEU HA A 44 ARG HBy 1.0 1.8 5.0 370 256 A 30 VAL H A 29 LEU HBy 1.0 1.8 5.0 371 257 A 29 LEU HBx A 30 VAL H 1.0 1.8 5.0 372 258 A 29 LEU HBy A 41 GLN HGx 1.0 1.8 5.0 373 258 A 29 LEU HBx A 41 GLN HGx 1.0 1.8 5.0 374 258 A 41 GLN HGy A 29 LEU HBy 1.0 1.8 5.0 375 258 A 29 LEU HBx A 41 GLN HGy 1.0 1.8 5.0 376 259 A 30 VAL H A 29 LEU HD1% 1.0 1.8 5.0 377 260 A 29 LEU HD2% A 30 VAL H 1.0 1.8 5.0 378 261 A 41 GLN HBx A 29 LEU HD1% 1.0 1.8 5.0 379 261 A 29 LEU HD1% A 41 GLN HBy 1.0 1.8 5.0 380 262 A 29 LEU HD2% A 41 GLN HBx 1.0 1.8 5.0 381 262 A 29 LEU HD2% A 41 GLN HBy 1.0 1.8 5.0 382 263 A 29 LEU HD1% A 41 GLN HGx 1.0 1.8 5.0 383 263 A 29 LEU HD2% A 41 GLN HGx 1.0 1.8 5.0 384 263 A 41 GLN HGy A 29 LEU HD1% 1.0 1.8 5.0 385 263 A 29 LEU HD2% A 41 GLN HGy 1.0 1.8 5.0 386 264 A 41 GLN HE2y A 29 LEU HD1% 1.0 1.8 5.0 387 264 A 29 LEU HD2% A 41 GLN HE2y 1.0 1.8 5.0 388 265 A 41 GLN HE2x A 29 LEU HD1% 1.0 1.8 5.0 389 265 A 29 LEU HD2% A 41 GLN HE2x 1.0 1.8 5.0 390 266 A 43 ASN H A 29 LEU HD1% 1.0 1.8 5.0 391 266 A 29 LEU HD2% A 43 ASN H 1.0 1.8 5.0 392 267 A 43 ASN HA A 29 LEU HD1% 1.0 1.8 5.0 393 267 A 29 LEU HD2% A 43 ASN HA 1.0 1.8 5.0 394 268 A 29 LEU HD1% A 43 ASN HBx 1.0 1.8 5.0 395 268 A 29 LEU HD2% A 43 ASN HBx 1.0 1.8 5.0 396 268 A 43 ASN HBy A 29 LEU HD1% 1.0 1.8 5.0 397 268 A 29 LEU HD2% A 43 ASN HBy 1.0 1.8 5.0 398 269 A 43 ASN HD2y A 29 LEU HD1% 1.0 1.8 5.0 399 269 A 29 LEU HD2% A 43 ASN HD2y 1.0 1.8 5.0 400 270 A 43 ASN HD2x A 29 LEU HD1% 1.0 1.8 5.0 401 270 A 29 LEU HD2% A 43 ASN HD2x 1.0 1.8 5.0 402 271 A 44 ARG H A 29 LEU HD1% 1.0 1.8 5.0 403 271 A 29 LEU HD2% A 44 ARG H 1.0 1.8 5.0 404 272 A 41 GLN HBx A 30 VAL H 1.0 1.8 5.0 405 272 A 30 VAL H A 41 GLN HBy 1.0 1.8 5.0 406 273 A 42 ILE H A 30 VAL H 1.0 1.8 3.5 407 274 A 42 ILE HG2% A 30 VAL H 1.0 1.8 5.0 408 275 A 42 ILE HD1% A 30 VAL H 1.0 1.8 5.0 409 276 A 43 ASN HA A 30 VAL H 1.0 1.8 5.0 410 277 A 30 VAL HA A 31 SER H 1.0 1.8 3.5 411 278 A 30 VAL HB A 42 ILE H 1.0 1.8 5.0 412 279 A 42 ILE HG2% A 30 VAL HB 1.0 1.8 5.0 413 280 A 30 VAL HB A 47 VAL HG2% 1.0 1.8 5.0 414 280 A 47 VAL HG1% A 30 VAL HB 1.0 1.8 5.0 415 281 A 32 TYR HBy A 30 VAL HG1% 1.0 1.8 5.0 416 281 A 30 VAL HG1% A 32 TYR HBx 1.0 1.8 5.0 417 282 A 32 TYR HD% A 30 VAL HG2% 1.0 1.8 5.0 418 282 A 32 TYR HD% A 30 VAL HG1% 1.0 1.8 5.0 419 283 A 30 VAL HG1% A 42 ILE HG1y 1.0 1.8 5.0 420 283 A 30 VAL HG1% A 42 ILE HG1x 1.0 1.8 5.0 421 284 A 42 ILE HG1y A 30 VAL HG2% 1.0 1.8 5.0 422 284 A 30 VAL HG2% A 42 ILE HG1x 1.0 1.8 5.0 423 285 A 42 ILE HG2% A 30 VAL HG1% 1.0 1.8 5.0 424 286 A 42 ILE HG2% A 30 VAL HG2% 1.0 1.8 5.0 425 287 A 44 ARG H A 30 VAL HG2% 1.0 1.8 5.0 426 288 A 44 ARG HA A 30 VAL HG2% 1.0 1.8 5.0 427 289 A 44 ARG HBy A 30 VAL HG2% 1.0 1.8 5.0 428 289 A 30 VAL HG2% A 44 ARG HBx 1.0 1.8 5.0 429 290 A 47 VAL HG1% A 30 VAL HG1% 1.0 1.8 5.0 430 290 A 30 VAL HG1% A 47 VAL HG2% 1.0 1.8 5.0 431 291 A 47 VAL HG1% A 30 VAL HG2% 1.0 1.8 5.0 432 291 A 30 VAL HG2% A 47 VAL HG2% 1.0 1.8 5.0 433 292 A 41 GLN HA A 31 SER H 1.0 1.8 5.0 434 293 A 31 SER HA A 32 TYR H 1.0 1.8 3.5 435 294 A 32 TYR HD% A 31 SER HA 1.0 1.8 5.0 436 295 A 41 GLN HA A 31 SER HA 1.0 1.8 5.0 437 296 A 31 SER HA A 41 GLN HBy 1.0 1.8 5.0 438 296 A 41 GLN HBx A 31 SER HA 1.0 1.8 5.0 439 297 A 41 GLN HGy A 31 SER HA 1.0 1.8 5.0 440 298 A 31 SER HA A 41 GLN HGx 1.0 1.8 5.0 441 299 A 31 SER HA A 42 ILE H 1.0 1.8 5.0 442 300 A 31 SER HBy A 32 TYR H 1.0 1.8 5.0 443 301 A 31 SER HBx A 32 TYR H 1.0 1.8 5.0 444 302 A 31 SER HBy A 41 GLN HA 1.0 1.8 5.0 445 303 A 31 SER HBx A 41 GLN HA 1.0 1.8 5.0 446 304 A 31 SER HBy A 41 GLN HGx 1.0 1.8 5.0 447 304 A 31 SER HBy A 41 GLN HGy 1.0 1.8 5.0 448 305 A 31 SER HBx A 41 GLN HGx 1.0 1.8 5.0 449 305 A 31 SER HBx A 41 GLN HGy 1.0 1.8 5.0 450 306 A 40 MET H A 32 TYR H 1.0 1.8 5.0 451 307 A 40 MET HA A 32 TYR H 1.0 1.8 5.0 452 308 A 40 MET HBy A 32 TYR H 1.0 1.8 5.0 453 308 A 32 TYR H A 40 MET HBx 1.0 1.8 5.0 454 309 A 41 GLN HA A 32 TYR H 1.0 1.8 5.0 455 310 A 41 GLN HGy A 32 TYR H 1.0 1.8 5.0 456 310 A 32 TYR H A 41 GLN HGx 1.0 1.8 5.0 457 311 A 42 ILE HG2% A 32 TYR H 1.0 1.8 5.0 458 312 A 33 HIS H A 32 TYR HA 1.0 1.8 3.5 459 313 A 32 TYR HA A 40 MET H 1.0 1.8 5.0 460 314 A 33 HIS H A 32 TYR HBx 1.0 1.8 5.0 461 314 A 32 TYR HBy A 33 HIS H 1.0 1.8 5.0 462 315 A 32 TYR HD% A 33 HIS H 1.0 1.8 5.0 463 316 A 32 TYR HD% A 40 MET HE% 1.0 1.8 5.0 464 317 A 32 TYR HD% A 42 ILE H 1.0 1.8 5.0 465 318 A 32 TYR HD% A 42 ILE HG2% 1.0 1.8 5.0 466 319 A 32 TYR HD% A 42 ILE HD1% 1.0 1.8 5.0 467 320 A 32 TYR HE% A 40 MET HGy 1.0 1.8 5.0 468 321 A 32 TYR HE% A 40 MET HGx 1.0 1.8 5.0 469 322 A 32 TYR HE% A 40 MET HE% 1.0 1.8 5.0 470 323 A 32 TYR HE% A 41 GLN H 1.0 1.8 5.0 471 324 A 32 TYR HE% A 42 ILE H 1.0 1.8 5.0 472 325 A 32 TYR HE% A 42 ILE HA 1.0 1.8 5.0 473 326 A 32 TYR HE% A 42 ILE HB 1.0 1.8 5.0 474 327 A 32 TYR HE% A 42 ILE HG2% 1.0 1.8 5.0 475 328 A 32 TYR HE% A 42 ILE HD1% 1.0 1.8 5.0 476 329 A 33 HIS H A 34 ASP H 1.0 1.8 5.0 477 330 A 34 ASP H A 33 HIS HA 1.0 1.8 2.9 478 331 A 33 HIS HA A 39 ALA H 1.0 1.8 5.0 479 332 A 33 HIS HA A 39 ALA HA 1.0 1.8 5.0 480 333 A 33 HIS HA A 39 ALA HB% 1.0 1.8 5.0 481 334 A 33 HIS HA A 40 MET H 1.0 1.8 5.0 482 335 A 33 HIS HA A 40 MET HGx 1.0 1.8 5.0 483 335 A 33 HIS HA A 40 MET HGy 1.0 1.8 5.0 484 336 A 34 ASP H A 33 HIS HBy 1.0 1.8 5.0 485 337 A 34 ASP H A 33 HIS HBx 1.0 1.8 5.0 486 338 A 33 HIS HBx A 37 GLY HAy 1.0 1.8 5.0 487 338 A 33 HIS HBy A 37 GLY HAy 1.0 1.8 5.0 488 338 A 37 GLY HAx A 33 HIS HBx 1.0 1.8 5.0 489 338 A 33 HIS HBy A 37 GLY HAx 1.0 1.8 5.0 490 339 A 38 ASN H A 33 HIS HBx 1.0 1.8 5.0 491 339 A 33 HIS HBy A 38 ASN H 1.0 1.8 5.0 492 340 A 39 ALA H A 33 HIS HD2 1.0 1.8 5.0 493 341 A 39 ALA HA A 33 HIS HD2 1.0 1.8 5.0 494 342 A 39 ALA HB% A 33 HIS HD2 1.0 1.8 5.0 495 343 A 34 ASP H A 37 GLY H 1.0 1.8 5.0 496 344 A 34 ASP H A 38 ASN H 1.0 1.8 3.5 497 345 A 34 ASP H A 38 ASN HA 1.0 1.8 5.0 498 346 A 34 ASP H A 39 ALA H 1.0 1.8 5.0 499 347 A 40 MET HE% A 34 ASP H 1.0 1.8 5.0 500 348 A 34 ASP HA A 35 GLN H 1.0 1.8 3.5 501 349 A 34 ASP HA A 35 GLN HA 1.0 1.8 5.0 502 350 A 34 ASP HA A 35 GLN HBy 1.0 1.8 5.0 503 350 A 35 GLN HBx A 34 ASP HA 1.0 1.8 5.0 504 351 A 34 ASP HA A 36 GLN H 1.0 1.8 5.0 505 352 A 40 MET HE% A 34 ASP HA 1.0 1.8 5.0 506 353 A 35 GLN H A 36 GLN H 1.0 1.8 3.5 507 354 A 37 GLY H A 35 GLN H 1.0 1.8 5.0 508 355 A 35 GLN HA A 36 GLN H 1.0 1.8 5.0 509 356 A 37 GLY H A 35 GLN HA 1.0 1.8 5.0 510 357 A 36 GLN H A 35 GLN HBy 1.0 1.8 5.0 511 357 A 35 GLN HBx A 36 GLN H 1.0 1.8 5.0 512 358 A 37 GLY H A 36 GLN H 1.0 1.8 2.9 513 359 A 38 ASN H A 36 GLN H 1.0 1.8 5.0 514 360 A 36 GLN H A 38 ASN HD2y 1.0 1.8 5.0 515 360 A 36 GLN H A 38 ASN HD2x 1.0 1.8 5.0 516 361 A 37 GLY H A 36 GLN HA 1.0 1.8 5.0 517 362 A 36 GLN HA A 37 GLY HAy 1.0 1.8 5.0 518 362 A 37 GLY HAx A 36 GLN HA 1.0 1.8 5.0 519 363 A 38 ASN H A 36 GLN HA 1.0 1.8 5.0 520 364 A 37 GLY H A 36 GLN HBy 1.0 1.8 5.0 521 365 A 37 GLY H A 36 GLN HBx 1.0 1.8 5.0 522 366 A 38 ASN H A 36 GLN HBy 1.0 1.8 5.0 523 367 A 38 ASN H A 36 GLN HBx 1.0 1.8 5.0 524 368 A 36 GLN HBy A 38 ASN HD2y 1.0 1.8 5.0 525 369 A 36 GLN HBy A 38 ASN HD2x 1.0 1.8 5.0 526 370 A 36 GLN HBx A 38 ASN HD2y 1.0 1.8 5.0 527 371 A 36 GLN HBx A 38 ASN HD2x 1.0 1.8 5.0 528 372 A 38 ASN HD2y A 36 GLN HGy 1.0 1.8 5.0 529 373 A 38 ASN HD2x A 36 GLN HGy 1.0 1.8 5.0 530 374 A 38 ASN HD2y A 36 GLN HGx 1.0 1.8 5.0 531 375 A 38 ASN HD2x A 36 GLN HGx 1.0 1.8 5.0 532 376 A 38 ASN H A 37 GLY H 1.0 1.8 2.9 533 377 A 38 ASN H A 37 GLY HAy 1.0 1.8 5.0 534 378 A 37 GLY HAx A 38 ASN H 1.0 1.8 5.0 535 379 A 38 ASN HA A 37 GLY HAy 1.0 1.8 5.0 536 379 A 37 GLY HAx A 38 ASN HA 1.0 1.8 5.0 537 380 A 39 ALA H A 38 ASN HA 1.0 1.8 2.9 538 381 A 39 ALA HA A 38 ASN HA 1.0 1.8 5.0 539 382 A 39 ALA HB% A 38 ASN HA 1.0 1.8 5.0 540 383 A 39 ALA H A 38 ASN HBy 1.0 1.8 5.0 541 384 A 39 ALA H A 38 ASN HBx 1.0 1.8 5.0 542 385 A 38 ASN HBy A 40 MET HGx 1.0 1.8 5.0 543 385 A 40 MET HGy A 38 ASN HBy 1.0 1.8 5.0 544 386 A 38 ASN HBx A 40 MET HGx 1.0 1.8 5.0 545 386 A 40 MET HGy A 38 ASN HBx 1.0 1.8 5.0 546 387 A 40 MET HE% A 38 ASN HBy 1.0 1.8 5.0 547 388 A 40 MET HE% A 38 ASN HBx 1.0 1.8 5.0 548 389 A 40 MET HE% A 38 ASN HD2y 1.0 1.8 5.0 549 390 A 40 MET HE% A 38 ASN HD2x 1.0 1.8 5.0 550 391 A 39 ALA H A 40 MET H 1.0 1.8 5.0 551 392 A 39 ALA HA A 40 MET H 1.0 1.8 5.0 552 393 A 40 MET HA A 39 ALA HA 1.0 1.8 5.0 553 394 A 39 ALA HA A 40 MET HGx 1.0 1.8 5.0 554 394 A 39 ALA HA A 40 MET HGy 1.0 1.8 5.0 555 395 A 39 ALA HB% A 40 MET H 1.0 1.8 5.0 556 396 A 41 GLN H A 40 MET H 1.0 1.8 5.0 557 397 A 40 MET HA A 41 GLN H 1.0 1.8 3.5 558 398 A 41 GLN HA A 40 MET HA 1.0 1.8 5.0 559 399 A 40 MET HA A 41 GLN HBy 1.0 1.8 5.0 560 399 A 41 GLN HBx A 40 MET HA 1.0 1.8 5.0 561 400 A 40 MET HBy A 41 GLN H 1.0 1.8 5.0 562 401 A 41 GLN H A 40 MET HBx 1.0 1.8 5.0 563 402 A 41 GLN H A 40 MET HGy 1.0 1.8 5.0 564 403 A 41 GLN H A 40 MET HGx 1.0 1.8 5.0 565 404 A 42 ILE HG2% A 40 MET HE% 1.0 1.8 5.0 566 405 A 41 GLN H A 42 ILE H 1.0 1.8 5.0 567 406 A 41 GLN HA A 42 ILE H 1.0 1.8 3.5 568 407 A 41 GLN HA A 42 ILE HA 1.0 1.8 5.0 569 408 A 42 ILE HG2% A 41 GLN HA 1.0 1.8 5.0 570 409 A 42 ILE H A 41 GLN HBy 1.0 1.8 5.0 571 409 A 41 GLN HBx A 42 ILE H 1.0 1.8 5.0 572 410 A 42 ILE HA A 41 GLN HBy 1.0 1.8 5.0 573 410 A 41 GLN HBx A 42 ILE HA 1.0 1.8 5.0 574 411 A 43 ASN H A 42 ILE H 1.0 1.8 5.0 575 412 A 43 ASN H A 42 ILE HA 1.0 1.8 3.5 576 413 A 42 ILE HA A 43 ASN HBx 1.0 1.8 5.0 577 413 A 43 ASN HBy A 42 ILE HA 1.0 1.8 5.0 578 414 A 43 ASN H A 42 ILE HB 1.0 1.8 5.0 579 415 A 43 ASN H A 42 ILE HG1y 1.0 1.8 5.0 580 416 A 43 ASN H A 42 ILE HG1x 1.0 1.8 5.0 581 417 A 46 ASP HBy A 42 ILE HG1y 1.0 1.8 5.0 582 417 A 42 ILE HG1y A 46 ASP HBx 1.0 1.8 5.0 583 418 A 46 ASP HBy A 42 ILE HG1x 1.0 1.8 5.0 584 418 A 42 ILE HG1x A 46 ASP HBx 1.0 1.8 5.0 585 419 A 47 VAL HG1% A 42 ILE HG1y 1.0 1.8 5.0 586 420 A 42 ILE HG1y A 47 VAL HG2% 1.0 1.8 5.0 587 421 A 47 VAL HG1% A 42 ILE HG1x 1.0 1.8 5.0 588 422 A 42 ILE HG1x A 47 VAL HG2% 1.0 1.8 5.0 589 423 A 42 ILE HG2% A 43 ASN H 1.0 1.8 5.0 590 424 A 42 ILE HG2% A 46 ASP HBx 1.0 1.8 5.0 591 424 A 42 ILE HG2% A 46 ASP HBy 1.0 1.8 5.0 592 425 A 42 ILE HD1% A 43 ASN H 1.0 1.8 5.0 593 426 A 42 ILE HD1% A 43 ASN HBy 1.0 1.8 5.0 594 427 A 42 ILE HD1% A 43 ASN HBx 1.0 1.8 5.0 595 428 A 42 ILE HD1% A 46 ASP H 1.0 1.8 5.0 596 429 A 42 ILE HD1% A 46 ASP HBy 1.0 1.8 5.0 597 430 A 42 ILE HD1% A 46 ASP HBx 1.0 1.8 5.0 598 431 A 42 ILE HD1% A 47 VAL HG2% 1.0 1.8 5.0 599 431 A 42 ILE HD1% A 47 VAL HG1% 1.0 1.8 5.0 600 432 A 44 ARG H A 43 ASN HA 1.0 1.8 3.5 601 433 A 44 ARG H A 43 ASN HBy 1.0 1.8 5.0 602 434 A 44 ARG H A 43 ASN HBx 1.0 1.8 5.0 603 435 A 45 ASP H A 43 ASN HBx 1.0 1.8 5.0 604 435 A 43 ASN HBy A 45 ASP H 1.0 1.8 5.0 605 436 A 43 ASN HD2y A 45 ASP HBy 1.0 1.8 5.0 606 436 A 43 ASN HD2y A 45 ASP HBx 1.0 1.8 5.0 607 436 A 43 ASN HD2x A 45 ASP HBy 1.0 1.8 5.0 608 436 A 43 ASN HD2x A 45 ASP HBx 1.0 1.8 5.0 609 437 A 44 ARG H A 45 ASP H 1.0 1.8 5.0 610 438 A 44 ARG HA A 47 VAL HB 1.0 1.8 5.0 611 439 A 47 VAL HG1% A 44 ARG HA 1.0 1.8 5.0 612 440 A 44 ARG HA A 47 VAL HG2% 1.0 1.8 5.0 613 441 A 45 ASP H A 44 ARG HBx 1.0 1.8 5.0 614 441 A 44 ARG HBy A 45 ASP H 1.0 1.8 5.0 615 442 A 46 ASP H A 44 ARG HBx 1.0 1.8 5.0 616 442 A 44 ARG HBy A 46 ASP H 1.0 1.8 5.0 617 443 A 44 ARG HBy A 47 VAL HG2% 1.0 1.8 5.0 618 443 A 44 ARG HBx A 47 VAL HG2% 1.0 1.8 5.0 619 443 A 47 VAL HG1% A 44 ARG HBx 1.0 1.8 5.0 620 443 A 47 VAL HG1% A 44 ARG HBy 1.0 1.8 5.0 621 444 A 44 ARG HG2 A 47 VAL HG2% 1.0 1.8 5.0 622 444 A 44 ARG HG3 A 47 VAL HG2% 1.0 1.8 5.0 623 444 A 47 VAL HG1% A 44 ARG HG2 1.0 1.8 5.0 624 444 A 47 VAL HG1% A 44 ARG HG3 1.0 1.8 5.0 625 445 A 46 ASP H A 45 ASP H 1.0 1.8 5.0 626 446 A 46 ASP H A 45 ASP HA 1.0 1.8 5.0 627 447 A 46 ASP H A 45 ASP HBy 1.0 1.8 5.0 628 448 A 46 ASP H A 45 ASP HBx 1.0 1.8 5.0 629 449 A 46 ASP H A 47 VAL H 1.0 1.8 2.9 630 450 A 46 ASP H A 47 VAL HG2% 1.0 1.8 5.0 631 450 A 47 VAL HG1% A 46 ASP H 1.0 1.8 5.0 632 451 A 47 VAL H A 46 ASP HA 1.0 1.8 5.0 633 452 A 46 ASP HA A 47 VAL HG2% 1.0 1.8 5.0 634 452 A 47 VAL HG1% A 46 ASP HA 1.0 1.8 5.0 635 453 A 47 VAL H A 46 ASP HBx 1.0 1.8 5.0 636 453 A 46 ASP HBy A 47 VAL H 1.0 1.8 5.0 637 454 A 46 ASP HBx A 47 VAL HG2% 1.0 1.8 5.0 638 454 A 46 ASP HBy A 47 VAL HG2% 1.0 1.8 5.0 639 454 A 47 VAL HG1% A 46 ASP HBx 1.0 1.8 5.0 640 454 A 47 VAL HG1% A 46 ASP HBy 1.0 1.8 5.0 641 455 A 47 VAL HA A 48 SER H 1.0 1.8 5.0 642 456 A 47 VAL HA A 48 SER HBy 1.0 1.8 5.0 643 456 A 48 SER HBx A 47 VAL HA 1.0 1.8 5.0 644 457 A 47 VAL HG1% A 48 SER H 1.0 1.8 5.0 645 458 A 48 SER H A 47 VAL HG2% 1.0 1.8 5.0 646 459 A 47 VAL HG2% A 48 SER HBy 1.0 1.8 5.0 647 459 A 47 VAL HG1% A 48 SER HBy 1.0 1.8 5.0 648 460 A 48 SER HBx A 47 VAL HG2% 1.0 1.8 5.0 649 460 A 47 VAL HG1% A 48 SER HBx 1.0 1.8 5.0 650 461 A 49 GLN H A 47 VAL HG2% 1.0 1.8 5.0 651 461 A 47 VAL HG1% A 49 GLN H 1.0 1.8 5.0 652 462 A 50 ILE HD1% A 47 VAL HG1% 1.0 1.8 5.0 653 463 A 50 ILE HD1% A 47 VAL HG2% 1.0 1.8 5.0 654 464 A 49 GLN H A 48 SER H 1.0 1.8 5.0 655 465 A 49 GLN H A 48 SER HBy 1.0 1.8 5.0 656 466 A 49 GLN H A 48 SER HBx 1.0 1.8 5.0 657 467 A 51 ILE HA A 51 ILE HD1% 1.0 1.8 5.0 658 468 A 6 VAL H A 17 THR HG1 1.0 1.8 3.5 659 469 A 50 ILE HA A 7 MET HA 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type 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 7 MET O A 15 ILE N 1.0 2.4 3.3 2 2 A 7 MET O A 15 ILE H 1.0 1.5 2.3 3 3 A 13 ARG O A 9 THR N 1.0 2.4 3.3 4 4 A 13 ARG O A 9 THR H 1.0 1.5 2.3 5 5 A 15 ILE O A 7 MET N 1.0 2.4 3.3 6 6 A 15 ILE O A 7 MET H 1.0 1.5 2.3 7 7 A 22 GLU O A 31 SER N 1.0 2.4 3.3 8 8 A 22 GLU O A 31 SER H 1.0 1.5 2.3 9 9 A 29 LEU O A 24 ASP N 1.0 2.4 3.3 10 10 A 29 LEU O A 24 ASP H 1.0 1.5 2.3 11 11 A 30 VAL O A 42 ILE N 1.0 2.4 3.3 12 12 A 30 VAL O A 42 ILE H 1.0 1.5 2.3 13 13 A 31 SER O A 22 GLU N 1.0 2.4 3.3 14 14 A 31 SER O A 22 GLU H 1.0 1.5 2.3 15 15 A 32 TYR O A 40 MET N 1.0 2.4 3.3 16 16 A 32 TYR O A 40 MET H 1.0 1.5 2.3 17 17 A 40 MET O A 32 TYR N 1.0 2.4 3.3 18 18 A 40 MET O A 32 TYR H 1.0 1.5 2.3 19 19 A 42 ILE O A 30 VAL N 1.0 2.4 3.3 20 20 A 42 ILE O A 30 VAL H 1.0 1.5 2.3 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 7 MET C A 8 ALA N A 8 ALA CA A 8 ALA C 1.0 -180.0 -70.0 PHI 2 2 A 10 LYS N A 10 LYS CA A 10 LYS CB A 10 LYS CG 1.0 170.0 190.0 CHI1 3 3 A 10 LYS CA A 10 LYS CB A 10 LYS CG A 10 LYS CD 1.0 150.0 170.0 CHI2 4 4 A 10 LYS CB A 10 LYS CG A 10 LYS CD A 10 LYS CE 1.0 40.0 60.0 CHI3 5 5 A 19 GLY N A 20 LYS CA A 20 LYS C A 20 LYS N 1.0 60.0 160.0 . 6 6 A 34 ASP N A 34 ASP CA A 34 ASP CB A 34 ASP CG 1.0 250.0 310.0 CHI1 7 7 A 34 ASP CA A 34 ASP CB A 34 ASP CG A 34 ASP OD1 1.0 135.0 195.0 CHI2 8 8 A 12 GLY C A 13 ARG N A 13 ARG CA A 13 ARG C 1.0 -180.0 -70.0 PHI 9 9 A 13 ARG N A 13 ARG CA A 13 ARG C A 14 MET N 1.0 60.0 180.0 PSI 10 10 A 13 ARG C A 14 MET N A 14 MET CA A 14 MET C 1.0 -180.0 -70.0 PHI 11 11 A 15 ILE C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -180.0 -70.0 PHI 12 12 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 THR N 1.0 60.0 180.0 PSI 13 13 A 16 LEU C A 17 THR N A 17 THR CA A 17 THR C 1.0 -180.0 -70.0 PHI 14 14 A 17 THR N A 17 THR CA A 17 THR C A 18 ASP N 1.0 60.0 180.0 PSI 15 15 A 22 GLU C A 23 ILE N A 23 ILE CA A 23 ILE C 1.0 -180.0 -70.0 PHI 16 16 A 28 GLY C A 29 LEU N A 29 LEU CA A 29 LEU C 1.0 -180.0 -70.0 PHI 17 17 A 40 MET C A 41 GLN N A 41 GLN CA A 41 GLN C 1.0 -180.0 -70.0 PHI 18 18 A 6 VAL C A 7 MET N A 7 MET CA A 7 MET C 1.0 -180.0 -70.0 PHI 19 19 A 7 MET N A 7 MET CA A 7 MET C A 8 ALA N 1.0 60.0 180.0 PSI 20 20 A 8 ALA N A 8 ALA CA A 8 ALA C A 9 THR N 1.0 60.0 180.0 PSI 21 21 A 8 ALA C A 9 THR N A 9 THR CA A 9 THR C 1.0 -180.0 -70.0 PHI 22 22 A 9 THR N A 9 THR CA A 9 THR C A 10 LYS N 1.0 60.0 180.0 PSI 23 23 A 14 MET N A 14 MET CA A 14 MET C A 15 ILE N 1.0 60.0 180.0 PSI 24 24 A 14 MET C A 15 ILE N A 15 ILE CA A 15 ILE C 1.0 -180.0 -70.0 PHI 25 25 A 15 ILE N A 15 ILE CA A 15 ILE C A 16 LEU N 1.0 60.0 180.0 PSI 26 26 A 21 PRO C A 22 GLU N A 22 GLU CA A 22 GLU C 1.0 -180.0 -70.0 PHI 27 27 A 22 GLU N A 22 GLU CA A 22 GLU C A 23 ILE N 1.0 60.0 180.0 PSI 28 28 A 23 ILE N A 23 ILE CA A 23 ILE C A 24 ASP N 1.0 60.0 180.0 PSI 29 29 A 23 ILE C A 24 ASP N A 24 ASP CA A 24 ASP C 1.0 -180.0 -70.0 PHI 30 30 A 24 ASP N A 24 ASP CA A 24 ASP C A 25 ASP N 1.0 60.0 180.0 PSI 31 31 A 29 LEU N A 29 LEU CA A 29 LEU C A 30 VAL N 1.0 60.0 180.0 PSI 32 32 A 29 LEU C A 30 VAL N A 30 VAL CA A 30 VAL C 1.0 -180.0 -70.0 PHI 33 33 A 30 VAL C A 31 SER N A 31 SER CA A 31 SER C 1.0 -180.0 -70.0 PHI 34 34 A 30 VAL N A 30 VAL CA A 30 VAL C A 31 SER N 1.0 60.0 180.0 PSI 35 35 A 31 SER C A 32 TYR N A 32 TYR CA A 32 TYR C 1.0 -180.0 -70.0 PHI 36 36 A 32 TYR N A 32 TYR CA A 32 TYR C A 33 HIS N 1.0 60.0 180.0 PSI 37 37 A 31 SER N A 31 SER CA A 31 SER C A 32 TYR N 1.0 60.0 180.0 PSI 38 38 A 39 ALA C A 40 MET N A 40 MET CA A 40 MET C 1.0 -180.0 -70.0 PHI 39 39 A 40 MET N A 40 MET CA A 40 MET C A 41 GLN N 1.0 60.0 180.0 PSI 40 40 A 41 GLN N A 41 GLN CA A 41 GLN C A 42 ILE N 1.0 60.0 180.0 PSI 41 41 A 41 GLN C A 42 ILE N A 42 ILE CA A 42 ILE C 1.0 -180.0 -70.0 PHI 42 42 A 42 ILE N A 42 ILE CA A 42 ILE C A 43 ASN N 1.0 60.0 180.0 PSI stop_ save_