data_nef_c17720_2lep 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 LEU middle . . 3 A 3 MET middle . . 4 A 4 ILE middle . . 5 A 5 THR middle . . 6 A 6 SER middle . . 7 A 7 PHE middle . . 8 A 8 ALA middle . . 9 A 9 ASN middle . . 10 A 10 PRO middle . false 11 A 11 ARG middle . . 12 A 12 VAL middle . . 13 A 13 ALA middle . . 14 A 14 GLN middle . . 15 A 15 ALA middle . . 16 A 16 PHE middle . . 17 A 17 VAL middle . . 18 A 18 ASP middle . . 19 A 19 TYR middle . . 20 A 20 MET middle . . 21 A 21 ALA middle . . 22 A 22 THR middle . . 23 A 23 GLN middle . . 24 A 24 GLY middle . false 25 A 25 VAL middle . . 26 A 26 ILE middle . . 27 A 27 LEU middle . . 28 A 28 THR middle . . 29 A 29 ILE middle . . 30 A 30 GLN middle . . 31 A 31 GLN middle . . 32 A 32 HIS middle . . 33 A 33 ASN middle . . 34 A 34 GLN middle . . 35 A 35 SER middle . . 36 A 36 ASP middle . . 37 A 37 VAL middle . . 38 A 38 TRP middle . . 39 A 39 LEU middle . . 40 A 40 ALA middle . . 41 A 41 ASP middle . . 42 A 42 GLU middle . . 43 A 43 SER middle . . 44 A 44 GLN middle . . 45 A 45 ALA middle . . 46 A 46 GLU middle . . 47 A 47 ARG middle . . 48 A 48 VAL middle . . 49 A 49 ARG middle . . 50 A 50 ALA middle . . 51 A 51 GLU middle . . 52 A 52 LEU middle . . 53 A 53 ALA middle . . 54 A 54 ARG middle . . 55 A 55 PHE middle . . 56 A 56 LEU middle . . 57 A 57 GLU middle . . 58 A 58 ASN middle . . 59 A 59 PRO middle . false 60 A 60 ALA middle . . 61 A 61 ASP middle . . 62 A 62 LEU middle . . 63 A 63 ASP middle . . 64 A 64 HIS middle . . 65 A 65 HIS middle . . 66 A 66 HIS middle . . 67 A 67 HIS middle . . 68 A 68 HIS middle . . 69 A 69 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HE% H 1 1.818 0.020 A 1 MET C C 13 171.800 0.400 A 1 MET CE C 13 16.794 0.400 A 2 LEU H H 1 8.945 0.020 A 2 LEU HA H 1 4.802 0.020 A 2 LEU HBy H 1 1.598 0.020 A 2 LEU HBx H 1 1.554 0.020 A 2 LEU HDx% H 1 0.842 0.020 A 2 LEU HG H 1 1.467 0.020 A 2 LEU C C 13 173.972 0.400 A 2 LEU CA C 13 53.764 0.400 A 2 LEU CB C 13 46.507 0.400 A 2 LEU CD1 C 13 25.189 0.400 A 2 LEU CG C 13 26.832 0.400 A 2 LEU N N 15 123.912 0.400 A 3 MET H H 1 8.599 0.020 A 3 MET HA H 1 3.351 0.020 A 3 MET HBy H 1 1.385 0.020 A 3 MET HBx H 1 -0.162 0.020 A 3 MET HE% H 1 1.676 0.020 A 3 MET HGy H 1 1.280 0.020 A 3 MET HGx H 1 1.190 0.020 A 3 MET C C 13 175.638 0.400 A 3 MET CA C 13 55.693 0.400 A 3 MET CB C 13 31.123 0.400 A 3 MET CE C 13 17.226 0.400 A 3 MET CG C 13 32.284 0.400 A 3 MET N N 15 128.661 0.400 A 4 ILE H H 1 8.829 0.020 A 4 ILE HA H 1 3.935 0.020 A 4 ILE HB H 1 1.753 0.020 A 4 ILE HD1% H 1 0.713 0.020 A 4 ILE HG1y H 1 1.617 0.020 A 4 ILE HG1x H 1 1.240 0.020 A 4 ILE HG2% H 1 0.785 0.020 A 4 ILE C C 13 174.936 0.400 A 4 ILE CA C 13 59.897 0.400 A 4 ILE CB C 13 37.916 0.400 A 4 ILE CD1 C 13 9.359 0.400 A 4 ILE CG1 C 13 27.175 0.400 A 4 ILE CG2 C 13 16.992 0.400 A 4 ILE N N 15 127.704 0.400 A 5 THR H H 1 7.251 0.020 A 5 THR HA H 1 4.233 0.020 A 5 THR HB H 1 3.981 0.020 A 5 THR HG2% H 1 0.377 0.020 A 5 THR C C 13 170.257 0.400 A 5 THR CA C 13 60.257 0.400 A 5 THR CB C 13 66.389 0.400 A 5 THR CG2 C 13 18.563 0.400 A 5 THR N N 15 109.936 0.400 A 6 SER H H 1 7.683 0.020 A 6 SER HA H 1 5.338 0.020 A 6 SER HBy H 1 3.530 0.020 A 6 SER HBx H 1 3.406 0.020 A 6 SER C C 13 173.156 0.400 A 6 SER CA C 13 56.818 0.400 A 6 SER CB C 13 64.943 0.400 A 6 SER N N 15 116.195 0.400 A 7 PHE H H 1 8.912 0.020 A 7 PHE HA H 1 4.847 0.020 A 7 PHE HBy H 1 3.312 0.020 A 7 PHE HBx H 1 2.690 0.020 A 7 PHE HD2 H 1 7.288 0.020 A 7 PHE HE2 H 1 7.319 0.020 A 7 PHE C C 13 175.395 0.400 A 7 PHE CA C 13 56.679 0.400 A 7 PHE CB C 13 43.085 0.400 A 7 PHE CD2 C 13 132.127 0.400 A 7 PHE CE2 C 13 130.005 0.400 A 7 PHE N N 15 121.991 0.400 A 8 ALA H H 1 8.974 0.020 A 8 ALA HA H 1 4.242 0.020 A 8 ALA HB% H 1 1.507 0.020 A 8 ALA C C 13 177.901 0.400 A 8 ALA CA C 13 54.214 0.400 A 8 ALA CB C 13 18.832 0.400 A 8 ALA N N 15 124.623 0.400 A 9 ASN H H 1 8.294 0.020 A 9 ASN HA H 1 5.241 0.020 A 9 ASN HBy H 1 3.141 0.020 A 9 ASN HBx H 1 2.860 0.020 A 9 ASN HD2x H 1 7.173 0.020 A 9 ASN HD2y H 1 7.939 0.020 A 9 ASN CA C 13 49.749 0.400 A 9 ASN CB C 13 39.755 0.400 A 9 ASN N N 15 116.371 0.400 A 9 ASN ND2 N 15 114.404 0.400 A 10 PRO HA H 1 4.449 0.020 A 10 PRO HBx H 1 1.993 0.020 A 10 PRO HBy H 1 2.333 0.020 A 10 PRO HDy H 1 4.120 0.020 A 10 PRO HDx H 1 3.990 0.020 A 10 PRO HGx H 1 2.061 0.020 A 10 PRO C C 13 179.214 0.400 A 10 PRO CA C 13 64.601 0.400 A 10 PRO CB C 13 32.426 0.400 A 10 PRO CD C 13 51.410 0.400 A 10 PRO CG C 13 27.017 0.400 A 11 ARG H H 1 8.115 0.020 A 11 ARG HA H 1 4.095 0.020 A 11 ARG HBx H 1 1.897 0.020 A 11 ARG HDx H 1 3.240 0.020 A 11 ARG HGy H 1 1.750 0.020 A 11 ARG HGx H 1 1.670 0.020 A 11 ARG C C 13 179.686 0.400 A 11 ARG CA C 13 58.842 0.400 A 11 ARG CB C 13 29.795 0.400 A 11 ARG CD C 13 42.915 0.400 A 11 ARG CG C 13 27.461 0.400 A 11 ARG N N 15 118.394 0.400 A 12 VAL H H 1 7.296 0.020 A 12 VAL HA H 1 3.634 0.020 A 12 VAL HB H 1 2.042 0.020 A 12 VAL HGx% H 1 0.852 0.020 A 12 VAL HGy% H 1 0.980 0.020 A 12 VAL C C 13 176.892 0.400 A 12 VAL CA C 13 65.670 0.400 A 12 VAL CB C 13 31.764 0.400 A 12 VAL CG1 C 13 21.935 0.400 A 12 VAL CG2 C 13 22.387 0.400 A 12 VAL N N 15 122.322 0.400 A 13 ALA H H 1 6.905 0.020 A 13 ALA HA H 1 3.067 0.020 A 13 ALA HB% H 1 1.352 0.020 A 13 ALA C C 13 178.672 0.400 A 13 ALA CA C 13 54.837 0.400 A 13 ALA CB C 13 18.710 0.400 A 13 ALA N N 15 119.960 0.400 A 14 GLN H H 1 7.835 0.020 A 14 GLN HA H 1 3.666 0.020 A 14 GLN HBy H 1 2.150 0.020 A 14 GLN HBx H 1 2.069 0.020 A 14 GLN HE2x H 1 6.813 0.020 A 14 GLN HGx H 1 2.370 0.020 A 14 GLN C C 13 177.053 0.400 A 14 GLN CA C 13 57.818 0.400 A 14 GLN CB C 13 28.626 0.400 A 14 GLN CG C 13 33.318 0.400 A 14 GLN N N 15 115.489 0.400 A 14 GLN NE2 N 15 115.341 0.400 A 15 ALA H H 1 7.771 0.020 A 15 ALA HA H 1 4.277 0.020 A 15 ALA HB% H 1 1.708 0.020 A 15 ALA C C 13 180.781 0.400 A 15 ALA CA C 13 55.126 0.400 A 15 ALA CB C 13 17.974 0.400 A 15 ALA N N 15 121.377 0.400 A 16 PHE H H 1 8.127 0.020 A 16 PHE HA H 1 3.614 0.020 A 16 PHE HBy H 1 2.566 0.020 A 16 PHE HBx H 1 2.281 0.020 A 16 PHE HD1 H 1 6.408 0.020 A 16 PHE HE1 H 1 6.438 0.020 A 16 PHE C C 13 176.787 0.400 A 16 PHE CA C 13 61.005 0.400 A 16 PHE CB C 13 38.700 0.400 A 16 PHE CD1 C 13 131.364 0.400 A 16 PHE CE1 C 13 128.731 0.400 A 16 PHE N N 15 120.680 0.400 A 17 VAL H H 1 8.170 0.020 A 17 VAL HA H 1 3.194 0.020 A 17 VAL HB H 1 2.224 0.020 A 17 VAL HGx% H 1 1.017 0.020 A 17 VAL HGy% H 1 0.973 0.020 A 17 VAL C C 13 179.334 0.400 A 17 VAL CA C 13 67.653 0.400 A 17 VAL CB C 13 31.298 0.400 A 17 VAL CG1 C 13 23.337 0.400 A 17 VAL CG2 C 13 21.167 0.400 A 17 VAL N N 15 120.806 0.400 A 18 ASP H H 1 9.038 0.020 A 18 ASP HA H 1 4.400 0.020 A 18 ASP HBy H 1 2.790 0.020 A 18 ASP HBx H 1 2.730 0.020 A 18 ASP C C 13 178.888 0.400 A 18 ASP CA C 13 57.487 0.400 A 18 ASP CB C 13 39.764 0.400 A 18 ASP N N 15 122.994 0.400 A 19 TYR H H 1 8.148 0.020 A 19 TYR HA H 1 4.358 0.020 A 19 TYR HBy H 1 3.364 0.020 A 19 TYR HBx H 1 2.930 0.020 A 19 TYR HD1 H 1 6.987 0.020 A 19 TYR HE1 H 1 6.972 0.020 A 19 TYR C C 13 179.496 0.400 A 19 TYR CA C 13 60.929 0.400 A 19 TYR CB C 13 38.058 0.400 A 19 TYR CD1 C 13 133.028 0.400 A 19 TYR CE1 C 13 118.382 0.400 A 19 TYR N N 15 121.989 0.400 A 20 MET H H 1 8.423 0.020 A 20 MET HA H 1 3.990 0.020 A 20 MET HBx H 1 1.677 0.020 A 20 MET HE% H 1 1.759 0.020 A 20 MET HGy H 1 1.778 0.020 A 20 MET HGx H 1 1.530 0.020 A 20 MET CA C 13 55.967 0.400 A 20 MET CB C 13 28.294 0.400 A 20 MET CE C 13 15.561 0.400 A 20 MET CG C 13 31.888 0.400 A 20 MET N N 15 119.360 0.400 A 21 ALA H H 1 8.082 0.020 A 21 ALA HA H 1 4.074 0.020 A 21 ALA HB% H 1 1.589 0.020 A 21 ALA C C 13 182.273 0.400 A 21 ALA CA C 13 55.671 0.400 A 21 ALA CB C 13 17.260 0.400 A 21 ALA N N 15 124.050 0.400 A 22 THR H H 1 7.567 0.020 A 22 THR HA H 1 4.256 0.020 A 22 THR HB H 1 4.332 0.020 A 22 THR HG2% H 1 1.462 0.020 A 22 THR C C 13 175.178 0.400 A 22 THR CA C 13 64.592 0.400 A 22 THR CB C 13 69.350 0.400 A 22 THR CG2 C 13 21.498 0.400 A 22 THR N N 15 111.420 0.400 A 23 GLN H H 1 7.201 0.020 A 23 GLN HA H 1 4.330 0.020 A 23 GLN HBy H 1 2.298 0.020 A 23 GLN HBx H 1 1.816 0.020 A 23 GLN HE2x H 1 6.474 0.020 A 23 GLN HE2y H 1 6.805 0.020 A 23 GLN C C 13 175.746 0.400 A 23 GLN CA C 13 53.796 0.400 A 23 GLN CB C 13 28.869 0.400 A 23 GLN N N 15 117.955 0.400 A 23 GLN NE2 N 15 113.016 0.400 A 24 GLY H H 1 7.622 0.020 A 24 GLY HAy H 1 4.142 0.020 A 24 GLY HAx H 1 3.683 0.020 A 24 GLY C C 13 173.701 0.400 A 24 GLY CA C 13 45.505 0.400 A 24 GLY N N 15 106.305 0.400 A 25 VAL H H 1 7.640 0.020 A 25 VAL HA H 1 4.265 0.020 A 25 VAL HB H 1 1.571 0.020 A 25 VAL HGx% H 1 0.642 0.020 A 25 VAL C C 13 174.252 0.400 A 25 VAL CA C 13 60.998 0.400 A 25 VAL CB C 13 33.685 0.400 A 25 VAL CG1 C 13 20.388 0.400 A 25 VAL N N 15 120.768 0.400 A 26 ILE H H 1 8.974 0.020 A 26 ILE HA H 1 3.904 0.020 A 26 ILE HB H 1 1.919 0.020 A 26 ILE HD1% H 1 0.750 0.020 A 26 ILE HG1y H 1 1.471 0.020 A 26 ILE HG1x H 1 1.316 0.020 A 26 ILE HG2% H 1 0.829 0.020 A 26 ILE C C 13 175.153 0.400 A 26 ILE CA C 13 60.280 0.400 A 26 ILE CB C 13 36.904 0.400 A 26 ILE CD1 C 13 10.683 0.400 A 26 ILE CG1 C 13 26.805 0.400 A 26 ILE CG2 C 13 17.192 0.400 A 26 ILE N N 15 128.592 0.400 A 27 LEU H H 1 8.332 0.020 A 27 LEU HA H 1 5.206 0.020 A 27 LEU HBy H 1 1.762 0.020 A 27 LEU HBx H 1 1.533 0.020 A 27 LEU HDx% H 1 0.663 0.020 A 27 LEU HDy% H 1 0.915 0.020 A 27 LEU HG H 1 1.522 0.020 A 27 LEU C C 13 174.913 0.400 A 27 LEU CA C 13 52.902 0.400 A 27 LEU CB C 13 44.815 0.400 A 27 LEU CD1 C 13 28.294 0.400 A 27 LEU CD2 C 13 25.930 0.400 A 27 LEU CG C 13 27.216 0.400 A 27 LEU N N 15 130.238 0.400 A 28 THR H H 1 8.944 0.020 A 28 THR HA H 1 4.762 0.020 A 28 THR HB H 1 4.080 0.020 A 28 THR HG2% H 1 1.130 0.020 A 28 THR C C 13 173.252 0.400 A 28 THR CA C 13 60.248 0.400 A 28 THR CB C 13 71.933 0.400 A 28 THR CG2 C 13 21.714 0.400 A 28 THR N N 15 111.337 0.400 A 29 ILE H H 1 8.679 0.020 A 29 ILE HA H 1 5.133 0.020 A 29 ILE HB H 1 1.715 0.020 A 29 ILE HD1% H 1 0.788 0.020 A 29 ILE HG1x H 1 1.665 0.020 A 29 ILE HG2% H 1 0.870 0.020 A 29 ILE C C 13 176.984 0.400 A 29 ILE CA C 13 60.065 0.400 A 29 ILE CB C 13 40.617 0.400 A 29 ILE CD1 C 13 13.375 0.400 A 29 ILE CG1 C 13 29.013 0.400 A 29 ILE CG2 C 13 17.755 0.400 A 29 ILE N N 15 121.898 0.400 A 30 GLN H H 1 9.594 0.020 A 30 GLN HA H 1 4.595 0.020 A 30 GLN HBy H 1 2.159 0.020 A 30 GLN HBx H 1 2.039 0.020 A 30 GLN HE2y H 1 6.717 0.020 A 30 GLN HGx H 1 2.302 0.020 A 30 GLN C C 13 174.447 0.400 A 30 GLN CA C 13 54.733 0.400 A 30 GLN CB C 13 30.456 0.400 A 30 GLN CG C 13 34.361 0.400 A 30 GLN N N 15 127.851 0.400 A 30 GLN NE2 N 15 109.941 0.400 A 31 GLN H H 1 8.867 0.020 A 31 GLN HA H 1 4.557 0.020 A 31 GLN HBx H 1 1.930 0.020 A 31 GLN HBy H 1 2.070 0.020 A 31 GLN HE2x H 1 6.871 0.020 A 31 GLN HE2y H 1 7.373 0.020 A 31 GLN HGx H 1 2.240 0.020 A 31 GLN HGy H 1 2.360 0.020 A 31 GLN CA C 13 55.577 0.400 A 31 GLN CB C 13 29.100 0.400 A 31 GLN CG C 13 33.326 0.400 A 31 GLN N N 15 125.070 0.400 A 31 GLN NE2 N 15 113.238 0.400 A 32 HIS H H 1 8.496 0.020 A 32 HIS HA H 1 4.900 0.020 A 32 HIS HBx H 1 3.300 0.020 A 32 HIS HBy H 1 3.420 0.020 A 32 HIS CA C 13 55.639 0.400 A 32 HIS CB C 13 29.063 0.400 A 32 HIS N N 15 127.295 0.400 A 33 ASN HA H 1 4.624 0.020 A 33 ASN HBx H 1 2.922 0.020 A 33 ASN HD2x H 1 7.032 0.020 A 33 ASN HD2y H 1 7.730 0.020 A 33 ASN C C 13 175.245 0.400 A 33 ASN CA C 13 55.967 0.400 A 33 ASN CB C 13 38.033 0.400 A 33 ASN ND2 N 15 113.254 0.400 A 34 GLN H H 1 8.054 0.020 A 34 GLN HA H 1 4.610 0.020 A 34 GLN C C 13 174.100 0.400 A 34 GLN N N 15 116.327 0.400 A 35 SER H H 1 8.528 0.020 A 35 SER HA H 1 4.575 0.020 A 35 SER HBy H 1 3.967 0.020 A 35 SER HBx H 1 3.620 0.020 A 35 SER C C 13 172.501 0.400 A 35 SER CA C 13 58.165 0.400 A 35 SER CB C 13 63.619 0.400 A 35 SER N N 15 116.485 0.400 A 36 ASP H H 1 8.448 0.020 A 36 ASP HA H 1 4.986 0.020 A 36 ASP HBy H 1 3.237 0.020 A 36 ASP HBx H 1 2.691 0.020 A 36 ASP C C 13 175.201 0.400 A 36 ASP CA C 13 54.140 0.400 A 36 ASP CB C 13 41.894 0.400 A 36 ASP N N 15 128.187 0.400 A 37 VAL H H 1 8.704 0.020 A 37 VAL HA H 1 4.983 0.020 A 37 VAL HB H 1 1.937 0.020 A 37 VAL HGx% H 1 1.112 0.020 A 37 VAL HGy% H 1 1.051 0.020 A 37 VAL C C 13 174.286 0.400 A 37 VAL CA C 13 61.828 0.400 A 37 VAL CB C 13 33.326 0.400 A 37 VAL CG1 C 13 21.812 0.400 A 37 VAL CG2 C 13 23.777 0.400 A 37 VAL N N 15 122.994 0.400 A 38 TRP H H 1 9.605 0.020 A 38 TRP HA H 1 5.101 0.020 A 38 TRP HBx H 1 3.033 0.020 A 38 TRP HD1 H 1 7.052 0.020 A 38 TRP HE1 H 1 10.542 0.020 A 38 TRP HE3 H 1 7.130 0.020 A 38 TRP HH2 H 1 7.198 0.020 A 38 TRP HZ2 H 1 7.527 0.020 A 38 TRP HZ3 H 1 6.931 0.020 A 38 TRP C C 13 174.129 0.400 A 38 TRP CA C 13 56.706 0.400 A 38 TRP CB C 13 32.277 0.400 A 38 TRP CD1 C 13 125.745 0.400 A 38 TRP CE3 C 13 119.915 0.400 A 38 TRP CH2 C 13 124.503 0.400 A 38 TRP CZ2 C 13 115.085 0.400 A 38 TRP CZ3 C 13 121.870 0.400 A 38 TRP N N 15 128.762 0.400 A 38 TRP NE1 N 15 130.576 0.400 A 39 LEU H H 1 9.358 0.020 A 39 LEU HA H 1 4.860 0.020 A 39 LEU HBy H 1 1.908 0.020 A 39 LEU HBx H 1 1.163 0.020 A 39 LEU HDx% H 1 0.955 0.020 A 39 LEU HDy% H 1 0.770 0.020 A 39 LEU C C 13 175.304 0.400 A 39 LEU CA C 13 53.092 0.400 A 39 LEU CB C 13 46.973 0.400 A 39 LEU CD1 C 13 23.088 0.400 A 39 LEU CD2 C 13 27.249 0.400 A 39 LEU N N 15 122.428 0.400 A 40 ALA H H 1 8.799 0.020 A 40 ALA HA H 1 4.582 0.020 A 40 ALA HB% H 1 1.529 0.020 A 40 ALA C C 13 178.001 0.400 A 40 ALA CA C 13 54.500 0.400 A 40 ALA CB C 13 19.043 0.400 A 40 ALA N N 15 129.718 0.400 A 41 ASP H H 1 7.776 0.020 A 41 ASP HA H 1 4.834 0.020 A 41 ASP HBy H 1 3.017 0.020 A 41 ASP HBx H 1 2.553 0.020 A 41 ASP C C 13 176.012 0.400 A 41 ASP CA C 13 52.060 0.400 A 41 ASP CB C 13 38.712 0.400 A 41 ASP N N 15 115.578 0.400 A 42 GLU H H 1 8.499 0.020 A 42 GLU HA H 1 3.631 0.020 A 42 GLU HBy H 1 2.218 0.020 A 42 GLU HBx H 1 2.000 0.020 A 42 GLU HGy H 1 2.552 0.020 A 42 GLU HGx H 1 2.099 0.020 A 42 GLU C C 13 178.190 0.400 A 42 GLU CA C 13 59.692 0.400 A 42 GLU CB C 13 28.658 0.400 A 42 GLU CG C 13 37.335 0.400 A 42 GLU N N 15 123.070 0.400 A 43 SER H H 1 8.318 0.020 A 43 SER HA H 1 4.354 0.020 A 43 SER HBx H 1 4.032 0.020 A 43 SER C C 13 176.272 0.400 A 43 SER CB C 13 62.536 0.400 A 43 SER N N 15 116.371 0.400 A 44 GLN H H 1 7.732 0.020 A 44 GLN HA H 1 4.705 0.020 A 44 GLN HBy H 1 2.448 0.020 A 44 GLN HBx H 1 1.980 0.020 A 44 GLN HE2x H 1 6.624 0.020 A 44 GLN HE2y H 1 7.346 0.020 A 44 GLN HGx H 1 2.261 0.020 A 44 GLN C C 13 175.899 0.400 A 44 GLN CA C 13 54.529 0.400 A 44 GLN CB C 13 28.231 0.400 A 44 GLN CG C 13 32.954 0.400 A 44 GLN N N 15 118.929 0.400 A 44 GLN NE2 N 15 112.060 0.400 A 45 ALA H H 1 7.553 0.020 A 45 ALA HA H 1 3.561 0.020 A 45 ALA HB% H 1 1.410 0.020 A 45 ALA C C 13 178.409 0.400 A 45 ALA CA C 13 56.980 0.400 A 45 ALA CB C 13 18.744 0.400 A 45 ALA N N 15 122.775 0.400 A 46 GLU H H 1 8.677 0.020 A 46 GLU HA H 1 4.019 0.020 A 46 GLU HBx H 1 2.062 0.020 A 46 GLU HGy H 1 2.364 0.020 A 46 GLU HGx H 1 2.301 0.020 A 46 GLU C C 13 179.407 0.400 A 46 GLU CA C 13 59.920 0.400 A 46 GLU CB C 13 28.707 0.400 A 46 GLU CG C 13 36.543 0.400 A 46 GLU N N 15 116.778 0.400 A 47 ARG H H 1 8.029 0.020 A 47 ARG HA H 1 4.225 0.020 A 47 ARG HBx H 1 2.014 0.020 A 47 ARG HDy H 1 3.279 0.020 A 47 ARG HDx H 1 3.214 0.020 A 47 ARG HGy H 1 1.782 0.020 A 47 ARG HGx H 1 1.669 0.020 A 47 ARG C C 13 178.751 0.400 A 47 ARG CA C 13 58.762 0.400 A 47 ARG CB C 13 29.928 0.400 A 47 ARG CD C 13 43.748 0.400 A 47 ARG CG C 13 27.292 0.400 A 47 ARG N N 15 122.111 0.400 A 48 VAL H H 1 8.441 0.020 A 48 VAL HA H 1 3.650 0.020 A 48 VAL HB H 1 2.207 0.020 A 48 VAL HGx% H 1 1.164 0.020 A 48 VAL HGy% H 1 1.605 0.020 A 48 VAL C C 13 177.724 0.400 A 48 VAL CA C 13 66.961 0.400 A 48 VAL CB C 13 31.240 0.400 A 48 VAL CG1 C 13 23.775 0.400 A 48 VAL CG2 C 13 25.595 0.400 A 48 VAL N N 15 118.388 0.400 A 49 ARG H H 1 8.591 0.020 A 49 ARG HA H 1 3.898 0.020 A 49 ARG HBx H 1 1.905 0.020 A 49 ARG HDy H 1 3.211 0.020 A 49 ARG HDx H 1 3.135 0.020 A 49 ARG HGx H 1 1.575 0.020 A 49 ARG C C 13 179.343 0.400 A 49 ARG CA C 13 60.742 0.400 A 49 ARG CB C 13 29.654 0.400 A 49 ARG CD C 13 43.333 0.400 A 49 ARG CG C 13 29.493 0.400 A 49 ARG N N 15 119.175 0.400 A 50 ALA H H 1 8.078 0.020 A 50 ALA HA H 1 4.293 0.020 A 50 ALA HB% H 1 1.609 0.020 A 50 ALA C C 13 181.153 0.400 A 50 ALA CA C 13 55.099 0.400 A 50 ALA CB C 13 17.872 0.400 A 50 ALA N N 15 123.984 0.400 A 51 GLU H H 1 8.353 0.020 A 51 GLU HA H 1 4.414 0.020 A 51 GLU HBy H 1 2.654 0.020 A 51 GLU HBx H 1 2.425 0.020 A 51 GLU HGx H 1 2.719 0.020 A 51 GLU C C 13 179.569 0.400 A 51 GLU CA C 13 58.483 0.400 A 51 GLU CB C 13 30.091 0.400 A 51 GLU CG C 13 36.201 0.400 A 51 GLU N N 15 118.646 0.400 A 52 LEU H H 1 8.970 0.020 A 52 LEU HA H 1 3.947 0.020 A 52 LEU HBy H 1 1.990 0.020 A 52 LEU HBx H 1 1.363 0.020 A 52 LEU HDx% H 1 0.220 0.020 A 52 LEU HDy% H 1 0.595 0.020 A 52 LEU HG H 1 1.447 0.020 A 52 LEU C C 13 177.428 0.400 A 52 LEU CA C 13 57.764 0.400 A 52 LEU CB C 13 41.271 0.400 A 52 LEU CD1 C 13 22.227 0.400 A 52 LEU CD2 C 13 26.008 0.400 A 52 LEU CG C 13 26.497 0.400 A 52 LEU N N 15 122.533 0.400 A 53 ALA H H 1 7.413 0.020 A 53 ALA HA H 1 4.026 0.020 A 53 ALA HB% H 1 1.500 0.020 A 53 ALA C C 13 180.339 0.400 A 53 ALA CA C 13 55.248 0.400 A 53 ALA CB C 13 17.614 0.400 A 53 ALA N N 15 118.985 0.400 A 54 ARG H H 1 7.309 0.020 A 54 ARG HA H 1 4.112 0.020 A 54 ARG HBx H 1 2.000 0.020 A 54 ARG HDx H 1 3.285 0.020 A 54 ARG HGx H 1 1.835 0.020 A 54 ARG C C 13 178.372 0.400 A 54 ARG CA C 13 58.738 0.400 A 54 ARG CB C 13 30.360 0.400 A 54 ARG CD C 13 43.343 0.400 A 54 ARG CG C 13 27.216 0.400 A 54 ARG N N 15 116.413 0.400 A 55 PHE H H 1 8.713 0.020 A 55 PHE HA H 1 4.025 0.020 A 55 PHE HBx H 1 3.245 0.020 A 55 PHE HD1 H 1 6.958 0.020 A 55 PHE HE1 H 1 6.932 0.020 A 55 PHE C C 13 176.856 0.400 A 55 PHE CA C 13 60.693 0.400 A 55 PHE CB C 13 40.104 0.400 A 55 PHE CD1 C 13 132.177 0.400 A 55 PHE CE1 C 13 130.144 0.400 A 55 PHE N N 15 122.191 0.400 A 56 LEU H H 1 8.137 0.020 A 56 LEU HA H 1 4.031 0.020 A 56 LEU HBy H 1 1.800 0.020 A 56 LEU HBx H 1 1.524 0.020 A 56 LEU HDx% H 1 1.449 0.020 A 56 LEU HDy% H 1 0.820 0.020 A 56 LEU HG H 1 1.940 0.020 A 56 LEU C C 13 178.190 0.400 A 56 LEU CA C 13 55.690 0.400 A 56 LEU CB C 13 42.047 0.400 A 56 LEU CD1 C 13 22.240 0.400 A 56 LEU CD2 C 13 25.434 0.400 A 56 LEU CG C 13 26.497 0.400 A 56 LEU N N 15 116.126 0.400 A 57 GLU H H 1 7.483 0.020 A 57 GLU HA H 1 4.085 0.020 A 57 GLU HBx H 1 2.053 0.020 A 57 GLU HGy H 1 2.430 0.020 A 57 GLU HGx H 1 2.267 0.020 A 57 GLU C C 13 176.386 0.400 A 57 GLU CA C 13 57.706 0.400 A 57 GLU CB C 13 30.134 0.400 A 57 GLU CG C 13 36.340 0.400 A 57 GLU N N 15 118.519 0.400 A 58 ASN H H 1 7.759 0.020 A 58 ASN HA H 1 4.924 0.020 A 58 ASN HBy H 1 2.827 0.020 A 58 ASN HBx H 1 2.668 0.020 A 58 ASN HD2x H 1 6.910 0.020 A 58 ASN HD2y H 1 7.587 0.020 A 58 ASN CA C 13 51.196 0.400 A 58 ASN CB C 13 38.856 0.400 A 58 ASN N N 15 116.387 0.400 A 58 ASN ND2 N 15 112.997 0.400 A 59 PRO HA H 1 4.127 0.020 A 59 PRO HBx H 1 1.837 0.020 A 59 PRO HBy H 1 2.036 0.020 A 59 PRO HDx H 1 3.640 0.020 A 59 PRO HGx H 1 1.891 0.020 A 59 PRO C C 13 177.173 0.400 A 59 PRO CA C 13 63.866 0.400 A 59 PRO CB C 13 31.817 0.400 A 59 PRO CD C 13 50.420 0.400 A 59 PRO CG C 13 26.994 0.400 A 60 ALA H H 1 7.974 0.020 A 60 ALA HA H 1 4.212 0.020 A 60 ALA HB% H 1 1.339 0.020 A 60 ALA C C 13 177.887 0.400 A 60 ALA CA C 13 52.837 0.400 A 60 ALA CB C 13 18.932 0.400 A 60 ALA N N 15 122.154 0.400 A 61 ASP H H 1 7.926 0.020 A 61 ASP HA H 1 4.580 0.020 A 61 ASP HBy H 1 2.700 0.020 A 61 ASP HBx H 1 2.600 0.020 A 61 ASP C C 13 176.453 0.400 A 61 ASP CA C 13 54.529 0.400 A 61 ASP CB C 13 40.916 0.400 A 61 ASP N N 15 118.300 0.400 A 62 LEU H H 1 7.911 0.020 A 62 LEU HA H 1 4.179 0.020 A 62 LEU HBx H 1 1.575 0.020 A 62 LEU HDx% H 1 0.744 0.020 A 62 LEU HDy% H 1 0.810 0.020 A 62 LEU HG H 1 1.570 0.020 A 62 LEU C C 13 177.735 0.400 A 62 LEU CA C 13 55.607 0.400 A 62 LEU CB C 13 42.044 0.400 A 62 LEU CD1 C 13 23.334 0.400 A 62 LEU CD2 C 13 25.419 0.400 A 62 LEU CG C 13 27.069 0.400 A 62 LEU N N 15 121.504 0.400 A 63 ASP H H 1 8.100 0.020 A 63 ASP HA H 1 4.166 0.020 A 63 ASP HBx H 1 1.877 0.020 A 63 ASP C C 13 173.886 0.400 A 63 ASP N N 15 119.213 0.400 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 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 1 MET C A 2 LEU N A 2 LEU CA A 2 LEU C 1.0 -161.0 -121.0 PHI 2 2 A 2 LEU N A 2 LEU CA A 2 LEU C A 3 MET N 1.0 113.0 153.0 PSI 3 3 A 2 LEU C A 3 MET N A 3 MET CA A 3 MET C 1.0 -99.0 -59.0 PHI 4 4 A 3 MET N A 3 MET CA A 3 MET C A 4 ILE N 1.0 113.0 153.0 PSI 5 5 A 5 THR C A 6 SER N A 6 SER CA A 6 SER C 1.0 -144.0 -84.0 PHI 6 6 A 6 SER N A 6 SER CA A 6 SER C A 7 PHE N 1.0 113.0 153.0 PSI 7 7 A 6 SER C A 7 PHE N A 7 PHE CA A 7 PHE C 1.0 -168.0 -108.0 PHI 8 8 A 7 PHE N A 7 PHE CA A 7 PHE C A 8 ALA N 1.0 136.0 176.0 PSI 9 9 A 10 PRO C A 11 ARG N A 11 ARG CA A 11 ARG C 1.0 -87.0 -47.0 PHI 10 10 A 11 ARG N A 11 ARG CA A 11 ARG C A 12 VAL N 1.0 -57.0 -17.0 PSI 11 11 A 11 ARG C A 12 VAL N A 12 VAL CA A 12 VAL C 1.0 -85.0 -45.0 PHI 12 12 A 12 VAL N A 12 VAL CA A 12 VAL C A 13 ALA N 1.0 -62.0 -22.0 PSI 13 13 A 12 VAL C A 13 ALA N A 13 ALA CA A 13 ALA C 1.0 -81.0 -41.0 PHI 14 14 A 13 ALA N A 13 ALA CA A 13 ALA C A 14 GLN N 1.0 -62.0 -22.0 PSI 15 15 A 13 ALA C A 14 GLN N A 14 GLN CA A 14 GLN C 1.0 -83.0 -43.0 PHI 16 16 A 14 GLN N A 14 GLN CA A 14 GLN C A 15 ALA N 1.0 -62.0 -22.0 PSI 17 17 A 14 GLN C A 15 ALA N A 15 ALA CA A 15 ALA C 1.0 -84.0 -44.0 PHI 18 18 A 15 ALA N A 15 ALA CA A 15 ALA C A 16 PHE N 1.0 -60.0 -20.0 PSI 19 19 A 15 ALA C A 16 PHE N A 16 PHE CA A 16 PHE C 1.0 -85.0 -45.0 PHI 20 20 A 16 PHE N A 16 PHE CA A 16 PHE C A 17 VAL N 1.0 -62.0 -22.0 PSI 21 21 A 16 PHE C A 17 VAL N A 17 VAL CA A 17 VAL C 1.0 -83.0 -43.0 PHI 22 22 A 17 VAL N A 17 VAL CA A 17 VAL C A 18 ASP N 1.0 -62.0 -22.0 PSI 23 23 A 17 VAL C A 18 ASP N A 18 ASP CA A 18 ASP C 1.0 -85.0 -45.0 PHI 24 24 A 18 ASP N A 18 ASP CA A 18 ASP C A 19 TYR N 1.0 -58.0 -18.0 PSI 25 25 A 18 ASP C A 19 TYR N A 19 TYR CA A 19 TYR C 1.0 -85.0 -45.0 PHI 26 26 A 19 TYR N A 19 TYR CA A 19 TYR C A 20 MET N 1.0 -62.0 -22.0 PSI 27 27 A 19 TYR C A 20 MET N A 20 MET CA A 20 MET C 1.0 -87.0 -47.0 PHI 28 28 A 20 MET N A 20 MET CA A 20 MET C A 21 ALA N 1.0 -56.0 -16.0 PSI 29 29 A 20 MET C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -87.0 -47.0 PHI 30 30 A 21 ALA N A 21 ALA CA A 21 ALA C A 22 THR N 1.0 -58.0 -18.0 PSI 31 31 A 21 ALA C A 22 THR N A 22 THR CA A 22 THR C 1.0 -86.0 -46.0 PHI 32 32 A 22 THR N A 22 THR CA A 22 THR C A 23 GLN N 1.0 -53.0 -13.0 PSI 33 33 A 23 GLN C A 24 GLY N A 24 GLY CA A 24 GLY C 1.0 61.0 101.0 PHI 34 34 A 24 GLY N A 24 GLY CA A 24 GLY C A 25 VAL N 1.0 -4.0 36.0 PSI 35 35 A 24 GLY C A 25 VAL N A 25 VAL CA A 25 VAL C 1.0 -128.0 -88.0 PHI 36 36 A 25 VAL N A 25 VAL CA A 25 VAL C A 26 ILE N 1.0 94.0 174.0 PSI 37 37 A 25 VAL C A 26 ILE N A 26 ILE CA A 26 ILE C 1.0 -122.0 -82.0 PHI 38 38 A 26 ILE N A 26 ILE CA A 26 ILE C A 27 LEU N 1.0 93.0 133.0 PSI 39 39 A 26 ILE C A 27 LEU N A 27 LEU CA A 27 LEU C 1.0 -141.0 -83.0 PHI 40 40 A 27 LEU N A 27 LEU CA A 27 LEU C A 28 THR N 1.0 95.0 195.0 PSI 41 41 A 27 LEU C A 28 THR N A 28 THR CA A 28 THR C 1.0 -188.0 -108.0 PHI 42 42 A 28 THR N A 28 THR CA A 28 THR C A 29 ILE N 1.0 132.0 172.0 PSI 43 43 A 28 THR C A 29 ILE N A 29 ILE CA A 29 ILE C 1.0 -125.0 -85.0 PHI 44 44 A 29 ILE N A 29 ILE CA A 29 ILE C A 30 GLN N 1.0 112.0 152.0 PSI 45 45 A 29 ILE C A 30 GLN N A 30 GLN CA A 30 GLN C 1.0 -137.0 -97.0 PHI 46 46 A 30 GLN N A 30 GLN CA A 30 GLN C A 31 GLN N 1.0 94.0 154.0 PSI 47 47 A 30 GLN C A 31 GLN N A 31 GLN CA A 31 GLN C 1.0 -138.0 -58.0 PHI 48 48 A 31 GLN N A 31 GLN CA A 31 GLN C A 32 HIS N 1.0 103.0 143.0 PSI 49 49 A 36 ASP C A 37 VAL N A 37 VAL CA A 37 VAL C 1.0 -136.0 -96.0 PHI 50 50 A 37 VAL N A 37 VAL CA A 37 VAL C A 38 TRP N 1.0 105.0 145.0 PSI 51 51 A 37 VAL C A 38 TRP N A 38 TRP CA A 38 TRP C 1.0 -140.0 -98.0 PHI 52 52 A 38 TRP N A 38 TRP CA A 38 TRP C A 39 LEU N 1.0 120.0 160.0 PSI 53 53 A 38 TRP C A 39 LEU N A 39 LEU CA A 39 LEU C 1.0 -148.0 -108.0 PHI 54 54 A 39 LEU N A 39 LEU CA A 39 LEU C A 40 ALA N 1.0 120.0 160.0 PSI 55 55 A 41 ASP C A 42 GLU N A 42 GLU CA A 42 GLU C 1.0 -76.0 -36.0 PHI 56 56 A 42 GLU N A 42 GLU CA A 42 GLU C A 43 SER N 1.0 -57.0 -17.0 PSI 57 57 A 42 GLU C A 43 SER N A 43 SER CA A 43 SER C 1.0 -86.0 -46.0 PHI 58 58 A 43 SER N A 43 SER CA A 43 SER C A 44 GLN N 1.0 -50.0 -10.0 PSI 59 59 A 43 SER C A 44 GLN N A 44 GLN CA A 44 GLN C 1.0 -120.0 -80.0 PHI 60 60 A 44 GLN N A 44 GLN CA A 44 GLN C A 45 ALA N 1.0 -10.0 30.0 PSI 61 61 A 44 GLN C A 45 ALA N A 45 ALA CA A 45 ALA C 1.0 -80.0 -40.0 PHI 62 62 A 45 ALA N A 45 ALA CA A 45 ALA C A 46 GLU N 1.0 -66.0 -6.0 PSI 63 63 A 45 ALA C A 46 GLU N A 46 GLU CA A 46 GLU C 1.0 -85.0 -45.0 PHI 64 64 A 46 GLU N A 46 GLU CA A 46 GLU C A 47 ARG N 1.0 -59.0 -19.0 PSI 65 65 A 46 GLU C A 47 ARG N A 47 ARG CA A 47 ARG C 1.0 -88.0 -48.0 PHI 66 66 A 47 ARG N A 47 ARG CA A 47 ARG C A 48 VAL N 1.0 -71.0 -11.0 PSI 67 67 A 47 ARG C A 48 VAL N A 48 VAL CA A 48 VAL C 1.0 -83.0 -43.0 PHI 68 68 A 48 VAL N A 48 VAL CA A 48 VAL C A 49 ARG N 1.0 -65.0 -25.0 PSI 69 69 A 48 VAL C A 49 ARG N A 49 ARG CA A 49 ARG C 1.0 -80.0 -40.0 PHI 70 70 A 49 ARG N A 49 ARG CA A 49 ARG C A 50 ALA N 1.0 -61.0 -21.0 PSI 71 71 A 49 ARG C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -83.0 -43.0 PHI 72 72 A 50 ALA N A 50 ALA CA A 50 ALA C A 51 GLU N 1.0 -62.0 -22.0 PSI 73 73 A 50 ALA C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -97.0 -37.0 PHI 74 74 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 LEU N 1.0 -76.0 4.0 PSI 75 75 A 51 GLU C A 52 LEU N A 52 LEU CA A 52 LEU C 1.0 -93.0 -33.0 PHI 76 76 A 52 LEU N A 52 LEU CA A 52 LEU C A 53 ALA N 1.0 -82.0 -2.0 PSI 77 77 A 52 LEU C A 53 ALA N A 53 ALA CA A 53 ALA C 1.0 -93.0 -33.0 PHI 78 78 A 53 ALA N A 53 ALA CA A 53 ALA C A 54 ARG N 1.0 -58.0 -18.0 PSI 79 79 A 53 ALA C A 54 ARG N A 54 ARG CA A 54 ARG C 1.0 -93.0 -33.0 PHI 80 80 A 54 ARG N A 54 ARG CA A 54 ARG C A 55 PHE N 1.0 -59.0 -19.0 PSI 81 81 A 54 ARG C A 55 PHE N A 55 PHE CA A 55 PHE C 1.0 -86.0 -46.0 PHI 82 82 A 55 PHE N A 55 PHE CA A 55 PHE C A 56 LEU N 1.0 -60.0 -20.0 PSI 83 83 A 56 LEU C A 57 GLU N A 57 GLU CA A 57 GLU C 1.0 -99.0 -59.0 PHI 84 84 A 57 GLU N A 57 GLU CA A 57 GLU C A 58 ASN N 1.0 -43.0 -3.0 PSI stop_ save_