data_nef_c16176_2kfd 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 GLY start . false 2 A 2 ALA middle . . 3 A 3 MET middle . . 4 A 4 GLY middle . false 5 A 5 ASN middle . . 6 A 6 GLU middle . . 7 A 7 ARG middle . . 8 A 8 ARG middle . . 9 A 9 ILE middle . . 10 A 10 LEU middle . . 11 A 11 GLU middle . . 12 A 12 GLN middle . . 13 A 13 LYS middle . . 14 A 14 LYS middle . . 15 A 15 HIS middle . . 16 A 16 TYR middle . . 17 A 17 PHE middle . . 18 A 18 TRP middle . . 19 A 19 LEU middle . . 20 A 20 LEU middle . . 21 A 21 LEU middle . . 22 A 22 GLN middle . . 23 A 23 ARG middle . . 24 A 24 THR middle . . 25 A 25 TYR middle . . 26 A 26 THR middle . . 27 A 27 LYS middle . . 28 A 28 THR middle . . 29 A 29 GLY middle . false 30 A 30 LYS middle . . 31 A 31 PRO middle . false 32 A 32 LYS middle . . 33 A 33 PRO middle . false 34 A 34 SER middle . . 35 A 35 THR middle . . 36 A 36 TRP middle . . 37 A 37 ASP middle . . 38 A 38 LEU middle . . 39 A 39 ALA middle . . 40 A 40 SER middle . . 41 A 41 LYS middle . . 42 A 42 GLU middle . . 43 A 43 LEU middle . . 44 A 44 GLY middle . false 45 A 45 GLU middle . . 46 A 46 SER middle . . 47 A 47 LEU middle . . 48 A 48 GLU middle . . 49 A 49 TYR middle . . 50 A 50 LYS middle . . 51 A 51 ALA middle . . 52 A 52 LEU middle . . 53 A 53 GLY middle . false 54 A 54 ASP middle . . 55 A 55 GLU middle . . 56 A 56 ASP middle . . 57 A 57 ASN middle . . 58 A 58 ILE middle . . 59 A 59 ARG middle . . 60 A 60 ARG middle . . 61 A 61 GLN middle . . 62 A 62 ILE middle . . 63 A 63 PHE middle . . 64 A 64 GLU middle . . 65 A 65 ASP middle . . 66 A 66 PHE middle . . 67 A 67 LYS middle . . 68 A 68 PRO middle . false 69 A 69 GLU end . . stop_ save_ save_bmrb_deposit.str _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode bmrb_deposit.str loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 GLY HA2 H 1 3.711 0.100 A 1 GLY HA3 H 1 3.625 0.100 A 1 GLY CA C 13 43.043 0.300 A 2 ALA H H 1 8.536 0.100 A 2 ALA HA H 1 4.16225 0.100 A 2 ALA HB% H 1 1.211 0.100 A 2 ALA CA C 13 53.199 0.300 A 2 ALA CB C 13 19.684 0.300 A 3 MET H H 1 8.538 0.100 A 3 MET HA H 1 4.3135 0.100 A 3 MET HB2 H 1 1.9165 0.100 A 3 MET HB3 H 1 1.87025 0.100 A 3 MET HG2 H 1 2.42975 0.100 A 3 MET HG3 H 1 2.3955 0.100 A 3 MET CA C 13 56.246 0.100 A 3 MET CB C 13 33.395 0.300 A 3 MET CG C 13 31.871 0.300 A 3 MET N N 15 119.924 0.300 A 4 GLY H H 1 8.4725 0.100 A 4 GLY HA2 H 1 3.8575 0.106 A 4 GLY HA3 H 1 3.78675 0.102 A 4 GLY CA C 13 45.582 0.300 A 4 GLY N N 15 110.057 0.300 A 5 ASN H H 1 8.3785 0.101 A 5 ASN HA H 1 4.4225 0.100 A 5 ASN HB2 H 1 2.65325 0.104 A 5 ASN HD21 H 1 7.597 0.100 A 5 ASN HD22 H 1 6.886 0.101 A 5 ASN CA C 13 54.722 0.300 A 5 ASN CB C 13 37.965 0.300 A 5 ASN N N 15 119.786 0.300 A 6 GLU H H 1 8.608 0.100 A 6 GLU HA H 1 3.84225 0.100 A 6 GLU HB2 H 1 1.90125 0.100 A 6 GLU HG2 H 1 2.20025 0.100 A 6 GLU CA C 13 60.308 0.300 A 6 GLU CB C 13 29.840 0.300 A 6 GLU CG C 13 37.457 0.300 A 6 GLU N N 15 119.791 0.300 A 7 ARG H H 1 8.0495 0.100 A 7 ARG HA H 1 3.967 0.100 A 7 ARG HB2 H 1 1.711 0.101 A 7 ARG HD2 H 1 3.0505 0.101 A 7 ARG HE H 1 7.269 0.100 A 7 ARG HG2 H 1 1.552 0.107 A 7 ARG HG3 H 1 1.48725 0.102 A 7 ARG CA C 13 58.277 0.300 A 7 ARG CB C 13 29.332 0.300 A 7 ARG CD C 13 43.043 0.300 A 7 ARG CG C 13 26.793 0.300 A 7 ARG N N 15 120.987 0.300 A 8 ARG H H 1 7.826 0.101 A 8 ARG HA H 1 3.873 0.102 A 8 ARG HB2 H 1 1.746 0.101 A 8 ARG HB3 H 1 1.695 0.100 A 8 ARG HD2 H 1 3.035 0.101 A 8 ARG HG2 H 1 1.532 0.100 A 8 ARG HG3 H 1 1.42175 0.100 A 8 ARG CA C 13 59.800 0.300 A 8 ARG CB C 13 29.840 0.300 A 8 ARG CD C 13 43.551 0.300 A 8 ARG CG C 13 27.809 0.300 A 9 ILE H H 1 7.855 0.100 A 9 ILE HA H 1 3.641 0.100 A 9 ILE HB H 1 1.75775 0.102 A 9 ILE HD1% H 1 0.6675 0.100 A 9 ILE HG12 H 1 1.481 0.100 A 9 ILE HG13 H 1 1.0515 0.101 A 9 ILE HG2% H 1 0.7965 0.100 A 9 ILE CA C 13 64.878 0.300 A 9 ILE CB C 13 37.965 0.300 A 9 ILE CD1 C 13 12.067 0.300 A 9 ILE CG1 C 13 29.840 0.300 A 9 ILE CG2 C 13 17.653 0.300 A 9 ILE N N 15 119.969 0.300 A 10 LEU H H 1 7.738 0.101 A 10 LEU HA H 1 3.94375 0.100 A 10 LEU HB2 H 1 1.785 0.100 A 10 LEU HB3 H 1 1.51 0.105 A 10 LEU HD1% H 1 0.7505 0.104 A 10 LEU HD2% H 1 0.7305 0.102 A 10 LEU HG H 1 1.31225 0.100 A 10 LEU CA C 13 58.277 0.300 A 10 LEU CB C 13 41.520 0.300 A 10 LEU CD1 C 13 26.286 0.300 A 10 LEU CD2 C 13 22.731 0.300 A 10 LEU CG C 13 27.301 0.300 A 10 LEU N N 15 121.758 0.300 A 11 GLU H H 1 8.2455 0.100 A 11 GLU HA H 1 3.768 0.100 A 11 GLU HB2 H 1 1.952 0.100 A 11 GLU HG2 H 1 2.2145 0.102 A 11 GLU CA C 13 59.800 0.300 A 11 GLU CB C 13 28.825 0.300 A 11 GLU CG C 13 36.949 0.300 A 11 GLU N N 15 117.433 0.300 A 12 GLN H H 1 7.8525 0.100 A 12 GLN HA H 1 3.9765 0.100 A 12 GLN HB2 H 1 2.1365 0.100 A 12 GLN HB3 H 1 2.0255 0.100 A 12 GLN HE21 H 1 7.3715 0.100 A 12 GLN HE22 H 1 6.736 0.107 A 12 GLN HG2 H 1 2.2705 0.102 A 12 GLN HG3 H 1 2.161 0.100 A 12 GLN CA C 13 59.292 0.300 A 12 GLN CB C 13 28.825 0.300 A 12 GLN CG C 13 34.410 0.300 A 12 GLN N N 15 119.791 0.300 A 13 LYS H H 1 8.0805 0.100 A 13 LYS HA H 1 3.938 0.100 A 13 LYS HB2 H 1 1.972 0.177 A 13 LYS HB3 H 1 1.60025 0.102 A 13 LYS HD2 H 1 1.49425 0.100 A 13 LYS HD3 H 1 1.3745 0.100 A 13 LYS HE2 H 1 2.731 0.101 A 13 LYS HE3 H 1 2.6865 0.100 A 13 LYS HG2 H 1 1.6945 0.103 A 13 LYS HG3 H 1 1.246 0.100 A 13 LYS CA C 13 60.816 0.300 A 13 LYS CB C 13 33.903 0.300 A 13 LYS CD C 13 30.348 0.300 A 13 LYS CE C 13 42.535 0.300 A 13 LYS CG C 13 26.793 0.300 A 13 LYS N N 15 118.933 0.300 A 14 LYS H H 1 8.570 0.100 A 14 LYS HA H 1 3.6745 0.100 A 14 LYS HB2 H 1 1.867 0.102 A 14 LYS HD2 H 1 1.4995 0.105 A 14 LYS HE2 H 1 2.7685 0.105 A 14 LYS HE3 H 1 2.5995 0.100 A 14 LYS HG2 H 1 1.7065 0.101 A 14 LYS HG3 H 1 0.988 0.101 A 14 LYS CA C 13 60.816 0.300 A 14 LYS CB C 13 31.871 0.300 A 14 LYS CD C 13 30.348 0.300 A 14 LYS CE C 13 40.504 0.300 A 14 LYS CG C 13 25.778 0.300 A 15 HIS H H 1 8.002 0.100 A 15 HIS HA H 1 4.4585 0.104 A 15 HIS HB2 H 1 3.256 0.100 A 15 HIS HB3 H 1 3.067 0.102 A 15 HIS HD2 H 1 7.0315 0.100 A 15 HIS HE1 H 1 8.302 0.100 A 15 HIS CA C 13 59.800 0.300 A 15 HIS CB C 13 28.825 0.300 A 15 HIS CD2 C 13 118.029 0.300 A 15 HIS CE1 C 13 134.567 0.300 A 16 TYR H H 1 8.685 0.100 A 16 TYR HA H 1 4.262 0.101 A 16 TYR HB2 H 1 3.08325 0.101 A 16 TYR HB3 H 1 3.01525 0.103 A 16 TYR HDx H 1 7.1675 0.101 A 16 TYR HDy H 1 7.1675 0.101 A 16 TYR HEx H 1 6.7355 0.103 A 16 TYR HEy H 1 6.7355 0.103 A 16 TYR CA C 13 60.816 0.300 A 16 TYR CB C 13 36.949 0.300 A 16 TYR CD1 C 13 129.822 0.300 A 16 TYR CE1 C 13 115.155 0.300 A 16 TYR N N 15 116.867 0.300 A 17 PHE H H 1 8.0625 0.100 A 17 PHE HA H 1 4.13525 0.100 A 17 PHE HB2 H 1 3.03625 0.100 A 17 PHE HB3 H 1 2.95275 0.100 A 17 PHE HDx H 1 6.941 0.101 A 17 PHE HDy H 1 6.941 0.101 A 17 PHE HEx H 1 7.3355 0.100 A 17 PHE HEy H 1 7.3355 0.100 A 17 PHE HZ H 1 6.945 0.100 A 17 PHE CA C 13 62.339 0.300 A 17 PHE CB C 13 39.996 0.300 A 17 PHE CD1 C 13 130.553 0.300 A 17 PHE CE1 C 13 127.895 0.300 A 17 PHE CZ C 13 128.270 0.300 A 17 PHE N N 15 121.253 0.300 A 18 TRP H H 1 8.362 0.101 A 18 TRP HA H 1 3.46525 0.100 A 18 TRP HB2 H 1 3.456 0.104 A 18 TRP HB3 H 1 3.10675 0.101 A 18 TRP HD1 H 1 7.3265 0.101 A 18 TRP HE1 H 1 10.469 0.100 A 18 TRP HE3 H 1 6.64825 0.100 A 18 TRP HH2 H 1 7.08 0.100 A 18 TRP HZ2 H 1 7.418 0.100 A 18 TRP HZ3 H 1 6.7675 0.102 A 18 TRP CA C 13 63.355 0.300 A 18 TRP CB C 13 28.317 0.300 A 18 TRP CD1 C 13 123.811 0.300 A 18 TRP CE3 C 13 116.880 0.300 A 18 TRP CH2 C 13 121.817 0.300 A 18 TRP CZ2 C 13 111.791 0.300 A 18 TRP CZ3 C 13 119.349 0.300 A 18 TRP N N 15 123.692 0.300 A 19 LEU H H 1 8.334 0.100 A 19 LEU HA H 1 3.45875 0.100 A 19 LEU HB2 H 1 1.69375 0.100 A 19 LEU HB3 H 1 1.19675 0.100 A 19 LEU HD1% H 1 0.8215 0.101 A 19 LEU HD2% H 1 0.608 0.100 A 19 LEU HG H 1 1.30375 0.101 A 19 LEU CA C 13 57.769 0.300 A 19 LEU CB C 13 42.027 0.300 A 19 LEU CD1 C 13 23.747 0.300 A 19 LEU CD2 C 13 25.778 0.300 A 19 LEU CG C 13 26.793 0.300 A 19 LEU N N 15 117.266 0.300 A 20 LEU H H 1 7.2275 0.100 A 20 LEU HA H 1 3.74575 0.103 A 20 LEU HB2 H 1 1.971 0.102 A 20 LEU HB3 H 1 1.06 0.100 A 20 LEU HD1% H 1 0.903 0.100 A 20 LEU HD2% H 1 0.63825 0.100 A 20 LEU HG H 1 0.95725 0.100 A 20 LEU CA C 13 57.769 0.300 A 20 LEU CB C 13 40.504 0.300 A 20 LEU CD1 C 13 27.809 0.300 A 20 LEU CD2 C 13 22.223 0.300 A 20 LEU CG C 13 27.809 0.300 A 20 LEU N N 15 120.455 0.300 A 21 LEU H H 1 7.23 0.100 A 21 LEU HA H 1 3.0905 0.100 A 21 LEU HB2 H 1 0.90925 0.100 A 21 LEU HB3 H 1 0.11725 0.100 A 21 LEU HD1% H 1 0.963 0.100 A 21 LEU HD2% H 1 0.49225 0.100 A 21 LEU HG H 1 0.34925 0.101 A 21 LEU CA C 13 58.277 0.300 A 21 LEU CB C 13 37.457 0.300 A 21 LEU CD1 C 13 25.488 0.300 A 21 LEU CD2 C 13 23.747 0.300 A 21 LEU CG C 13 28.317 0.300 A 21 LEU N N 15 121.639 0.300 A 22 GLN H H 1 7.6765 0.100 A 22 GLN HA H 1 3.9125 0.103 A 22 GLN HB2 H 1 1.622 0.101 A 22 GLN HE21 H 1 7.258 0.100 A 22 GLN HE22 H 1 6.638 0.100 A 22 GLN HG2 H 1 1.94775 0.100 A 22 GLN HG3 H 1 1.87075 0.101 A 22 GLN CA C 13 57.261 0.300 A 22 GLN CB C 13 28.317 0.300 A 22 GLN CG C 13 33.903 0.300 A 22 GLN N N 15 115.768 0.300 A 23 ARG H H 1 7.319 0.100 A 23 ARG HA H 1 4.109 0.100 A 23 ARG HB2 H 1 1.68275 0.100 A 23 ARG HB3 H 1 1.52875 0.100 A 23 ARG HD2 H 1 3.004 0.104 A 23 ARG HD3 H 1 2.888 0.101 A 23 ARG HE H 1 7.124 0.100 A 23 ARG HG2 H 1 1.6005 0.102 A 23 ARG HG3 H 1 1.30475 0.103 A 23 ARG HH21 H 1 6.482 0.101 A 23 ARG CA C 13 56.753 0.300 A 23 ARG CB C 13 30.856 0.300 A 23 ARG CD C 13 43.551 0.300 A 23 ARG CG C 13 27.301 0.300 A 23 ARG N N 15 112.925 0.300 A 24 THR H H 1 7.3335 0.100 A 24 THR HA H 1 3.59175 0.100 A 24 THR HB H 1 2.9865 0.102 A 24 THR HG1 H 1 5.0045 0.100 A 24 THR HG2% H 1 0.114 0.100 A 24 THR CA C 13 65.894 0.300 A 24 THR CB C 13 69.956 0.300 A 24 THR CG2 C 13 19.684 0.300 A 24 THR N N 15 117.733 0.300 A 25 TYR H H 1 8.087 0.100 A 25 TYR HA H 1 5.41125 0.100 A 25 TYR HB2 H 1 2.96225 0.100 A 25 TYR HB3 H 1 2.819 0.100 A 25 TYR HDx H 1 6.77575 0.100 A 25 TYR HDy H 1 6.77575 0.100 A 25 TYR HEx H 1 6.6065 0.101 A 25 TYR HEy H 1 6.6065 0.101 A 25 TYR HH H 1 9.324 0.100 A 25 TYR CA C 13 56.753 0.300 A 25 TYR CB C 13 39.488 0.300 A 25 TYR CD1 C 13 130.598 0.300 A 25 TYR CE1 C 13 115.368 0.300 A 25 TYR N N 15 123.457 0.300 A 26 THR H H 1 7.9825 0.100 A 26 THR HA H 1 4.69425 0.100 A 26 THR HB H 1 4.383 0.100 A 26 THR HG2% H 1 0.98275 0.100 A 26 THR CA C 13 59.800 0.300 A 26 THR CB C 13 72.495 0.300 A 26 THR CG2 C 13 21.716 0.300 A 26 THR N N 15 111.011 0.300 A 27 LYS H H 1 8.876 0.100 A 27 LYS HA H 1 3.78075 0.100 A 27 LYS HB2 H 1 1.61825 0.103 A 27 LYS HD2 H 1 1.4735 0.105 A 27 LYS HE2 H 1 2.7865 0.101 A 27 LYS HG2 H 1 1.1555 0.100 A 27 LYS CA C 13 59.292 0.300 A 27 LYS CB C 13 32.379 0.300 A 27 LYS CD C 13 29.840 0.300 A 27 LYS CE C 13 41.012 0.300 A 27 LYS CG C 13 25.778 0.300 A 27 LYS N N 15 121.025 0.300 A 28 THR H H 1 7.777 0.100 A 28 THR HA H 1 4.393 0.100 A 28 THR HB H 1 4.28025 0.100 A 28 THR HG2% H 1 0.9885 0.100 A 28 THR CA C 13 61.323 0.300 A 28 THR CB C 13 69.448 0.300 A 28 THR CG2 C 13 21.208 0.300 A 28 THR N N 15 104.999 0.300 A 29 GLY H H 1 7.213 0.100 A 29 GLY HA2 H 1 4.16125 0.100 A 29 GLY HA3 H 1 3.2585 0.100 A 29 GLY CA C 13 45.074 0.300 A 29 GLY N N 15 113.610 0.300 A 30 LYS H H 1 8.5815 0.100 A 30 LYS HA H 1 4.447 0.101 A 30 LYS HB2 H 1 2.055 0.100 A 30 LYS HB3 H 1 1.771 0.102 A 30 LYS HD2 H 1 1.67325 0.100 A 30 LYS HD3 H 1 1.55025 0.104 A 30 LYS HE2 H 1 2.8985 0.100 A 30 LYS HG2 H 1 1.54625 0.100 A 30 LYS HG3 H 1 1.4455 0.101 A 30 LYS CA C 13 53.707 0.300 A 30 LYS CB C 13 33.903 0.300 A 30 LYS CD C 13 30.348 0.300 A 30 LYS CE C 13 41.520 0.300 A 30 LYS CG C 13 25.270 0.300 A 30 LYS N N 15 130.821 0.300 A 31 PRO HA H 1 4.426 0.100 A 31 PRO HB2 H 1 2.055 0.100 A 31 PRO HB3 H 1 1.6125 0.100 A 31 PRO HD2 H 1 3.802 0.100 A 31 PRO HD3 H 1 3.5525 0.100 A 31 PRO HG2 H 1 1.827 0.100 A 31 PRO HG3 H 1 1.7685 0.100 A 31 PRO CA C 13 61.831 0.300 A 31 PRO CB C 13 31.871 0.300 A 31 PRO CD C 13 51.168 0.300 A 31 PRO CG C 13 26.793 0.300 A 32 LYS H H 1 8.2045 0.100 A 32 LYS HA H 1 3.365 0.100 A 32 LYS HB2 H 1 1.46025 0.100 A 32 LYS HB3 H 1 1.2195 0.100 A 32 LYS HD2 H 1 1.33075 0.102 A 32 LYS HD3 H 1 1.1225 0.101 A 32 LYS HE2 H 1 2.134 0.100 A 32 LYS HE3 H 1 1.746 0.100 A 32 LYS HG2 H 1 1.296 0.107 A 32 LYS HG3 H 1 0.76825 0.101 A 32 LYS CA C 13 54.214 0.300 A 32 LYS CB C 13 33.903 0.300 A 32 LYS CD C 13 30.348 0.300 A 32 LYS CE C 13 42.027 0.300 A 32 LYS CG C 13 25.778 0.300 A 32 LYS N N 15 121.518 0.300 A 33 PRO HA H 1 4.28775 0.100 A 33 PRO HB2 H 1 2.2625 0.100 A 33 PRO HB3 H 1 1.74 0.103 A 33 PRO HD2 H 1 3.23525 0.100 A 33 PRO HD3 H 1 2.732 0.100 A 33 PRO HG2 H 1 1.78625 0.101 A 33 PRO HG3 H 1 1.58475 0.101 A 33 PRO CA C 13 62.847 0.300 A 33 PRO CB C 13 33.395 0.300 A 33 PRO CD C 13 51.168 0.300 A 33 PRO CG C 13 28.317 0.300 A 34 SER H H 1 8.6285 0.100 A 34 SER HA H 1 4.0155 0.100 A 34 SER HB2 H 1 3.83875 0.104 A 34 SER HB3 H 1 3.79775 0.104 A 34 SER CA C 13 61.323 0.300 A 34 SER CB C 13 63.862 0.300 A 34 SER N N 15 113.765 0.300 A 35 THR H H 1 6.9095 0.100 A 35 THR HA H 1 4.81975 0.100 A 35 THR HB H 1 4.455 0.101 A 35 THR HG2% H 1 1.087 0.100 A 35 THR CA C 13 58.785 0.300 A 35 THR CB C 13 73.003 0.300 A 35 THR CG2 C 13 21.208 0.300 A 35 THR N N 15 105.810 0.300 A 36 TRP H H 1 9.2225 0.100 A 36 TRP HA H 1 3.91675 0.103 A 36 TRP HB2 H 1 3.30475 0.103 A 36 TRP HB3 H 1 2.94975 0.102 A 36 TRP HD1 H 1 6.9525 0.103 A 36 TRP HE1 H 1 10.56 0.100 A 36 TRP HE3 H 1 6.52225 0.102 A 36 TRP HH2 H 1 6.955 0.101 A 36 TRP HZ2 H 1 7.32375 0.100 A 36 TRP HZ3 H 1 6.537 0.100 A 36 TRP CA C 13 57.769 0.300 A 36 TRP CB C 13 30.348 0.300 A 36 TRP CD1 C 13 124.286 0.300 A 36 TRP CE3 C 13 116.595 0.300 A 36 TRP CH2 C 13 121.912 0.300 A 36 TRP CZ2 C 13 112.222 0.300 A 36 TRP CZ3 C 13 119.349 0.300 A 36 TRP N N 15 126.877 0.300 A 37 ASP H H 1 8.251 0.100 A 37 ASP HA H 1 3.66175 0.100 A 37 ASP HB2 H 1 2.3315 0.100 A 37 ASP HB3 H 1 2.281 0.101 A 37 ASP CA C 13 57.769 0.300 A 37 ASP CB C 13 40.504 0.300 A 37 ASP N N 15 118.063 0.300 A 38 LEU H H 1 7.2585 0.101 A 38 LEU HA H 1 3.79 0.100 A 38 LEU HB2 H 1 1.5745 0.103 A 38 LEU HB3 H 1 1.297 0.103 A 38 LEU HD1% H 1 0.8005 0.100 A 38 LEU HD2% H 1 0.6655 0.100 A 38 LEU HG H 1 1.401 0.102 A 38 LEU CA C 13 57.261 0.300 A 38 LEU CB C 13 42.535 0.300 A 38 LEU CD1 C 13 25.270 0.300 A 38 LEU CD2 C 13 22.731 0.300 A 38 LEU CG C 13 27.301 0.300 A 38 LEU N N 15 118.078 0.300 A 39 ALA H H 1 7.23 0.100 A 39 ALA HA H 1 3.69975 0.102 A 39 ALA HB% H 1 0.7315 0.100 A 39 ALA CA C 13 54.214 0.300 A 39 ALA CB C 13 19.684 0.300 A 39 ALA N N 15 122.862 0.300 A 40 SER H H 1 8.1025 0.100 A 40 SER HA H 1 2.96625 0.101 A 40 SER HB2 H 1 2.91875 0.103 A 40 SER HB3 H 1 2.53975 0.102 A 40 SER HG H 1 1.653 0.100 A 40 SER CA C 13 60.816 0.300 A 40 SER CB C 13 62.339 0.300 A 40 SER N N 15 112.283 0.300 A 41 LYS H H 1 6.651 0.100 A 41 LYS HA H 1 3.726 0.100 A 41 LYS HB2 H 1 1.626 0.102 A 41 LYS HB3 H 1 1.56 0.101 A 41 LYS HD2 H 1 1.40825 0.100 A 41 LYS HE2 H 1 2.7075 0.100 A 41 LYS HG2 H 1 1.28325 0.101 A 41 LYS HG3 H 1 1.19575 0.100 A 41 LYS CA C 13 58.785 0.300 A 41 LYS CB C 13 32.887 0.300 A 41 LYS CD C 13 28.317 0.300 A 41 LYS CE C 13 41.520 0.300 A 41 LYS CG C 13 25.270 0.300 A 41 LYS N N 15 119.364 0.300 A 42 GLU H H 1 7.133 0.100 A 42 GLU HA H 1 3.9705 0.100 A 42 GLU HB2 H 1 1.92625 0.101 A 42 GLU HB3 H 1 1.858 0.101 A 42 GLU HG2 H 1 2.15875 0.100 A 42 GLU HG3 H 1 2.03975 0.101 A 42 GLU CA C 13 58.785 0.300 A 42 GLU CB C 13 30.856 0.300 A 42 GLU CG C 13 36.442 0.300 A 42 GLU N N 15 117.649 0.300 A 43 LEU H H 1 7.792 0.100 A 43 LEU HA H 1 4.22325 0.100 A 43 LEU HB2 H 1 1.43825 0.100 A 43 LEU HB3 H 1 1.27675 0.100 A 43 LEU HD1% H 1 0.84425 0.100 A 43 LEU HD2% H 1 0.60375 0.100 A 43 LEU HG H 1 1.83875 0.100 A 43 LEU CA C 13 55.230 0.300 A 43 LEU CB C 13 44.058 0.300 A 43 LEU CD1 C 13 27.301 0.300 A 43 LEU CD2 C 13 21.208 0.300 A 43 LEU CG C 13 25.778 0.300 A 43 LEU N N 15 116.082 0.300 A 44 GLY H H 1 6.9535 0.100 A 44 GLY HA2 H 1 3.1225 0.102 A 44 GLY HA3 H 1 1.93275 0.100 A 44 GLY CA C 13 46.597 0.300 A 44 GLY N N 15 106.968 0.300 A 45 GLU H H 1 7.613 0.100 A 45 GLU HA H 1 4.2155 0.100 A 45 GLU HB2 H 1 2.0305 0.101 A 45 GLU HB3 H 1 1.52475 0.100 A 45 GLU HG2 H 1 2.07825 0.103 A 45 GLU HG3 H 1 1.946 0.101 A 45 GLU CA C 13 54.722 0.300 A 45 GLU CB C 13 29.840 0.300 A 45 GLU CG C 13 35.934 0.300 A 45 GLU N N 15 114.475 0.300 A 46 SER H H 1 7.9455 0.100 A 46 SER HA H 1 4.20125 0.100 A 46 SER HB2 H 1 4.126 0.100 A 46 SER HB3 H 1 3.99775 0.100 A 46 SER CA C 13 59.292 0.300 A 46 SER CB C 13 64.370 0.300 A 46 SER N N 15 117.665 0.300 A 47 LEU H H 1 8.91 0.100 A 47 LEU HA H 1 3.794 0.100 A 47 LEU HB2 H 1 1.5625 0.102 A 47 LEU HB3 H 1 1.378 0.100 A 47 LEU HD1% H 1 0.76175 0.100 A 47 LEU HD2% H 1 0.695 0.100 A 47 LEU HG H 1 1.634 0.100 A 47 LEU CA C 13 58.277 0.300 A 47 LEU CB C 13 41.012 0.300 A 47 LEU CD1 C 13 24.255 0.300 A 47 LEU CD2 C 13 24.255 0.300 A 47 LEU CG C 13 27.301 0.300 A 47 LEU N N 15 125.659 0.300 A 48 GLU H H 1 10.609 0.100 A 48 GLU HA H 1 3.85175 0.100 A 48 GLU HB2 H 1 2.13625 0.103 A 48 GLU HB3 H 1 1.712 0.100 A 48 GLU HG2 H 1 2.4775 0.100 A 48 GLU HG3 H 1 2.05 0.104 A 48 GLU CA C 13 60.816 0.300 A 48 GLU CB C 13 28.825 0.300 A 48 GLU CG C 13 37.457 0.300 A 48 GLU N N 15 118.244 0.300 A 49 TYR H H 1 7.499 0.100 A 49 TYR HA H 1 3.7685 0.100 A 49 TYR HB2 H 1 3.40125 0.100 A 49 TYR HB3 H 1 2.555 0.100 A 49 TYR HDx H 1 6.70125 0.100 A 49 TYR HDy H 1 6.70125 0.100 A 49 TYR HEx H 1 6.6185 0.100 A 49 TYR HEy H 1 6.6185 0.100 A 49 TYR CA C 13 61.323 0.300 A 49 TYR CB C 13 39.996 0.300 A 49 TYR CD1 C 13 130.284 0.300 A 49 TYR CE1 C 13 115.473 0.300 A 49 TYR N N 15 118.018 0.300 A 50 LYS H H 1 8.13 0.100 A 50 LYS HA H 1 3.9285 0.100 A 50 LYS HB2 H 1 1.77825 0.104 A 50 LYS HD2 H 1 1.4965 0.100 A 50 LYS HE2 H 1 2.804 0.100 A 50 LYS HG2 H 1 1.68175 0.104 A 50 LYS HG3 H 1 1.4065 0.100 A 50 LYS CA C 13 59.800 0.300 A 50 LYS CB C 13 32.887 0.300 A 50 LYS CD C 13 30.348 0.300 A 50 LYS CE C 13 42.027 0.300 A 50 LYS CG C 13 26.286 0.300 A 50 LYS N N 15 120.322 0.300 A 51 ALA H H 1 8.192 0.100 A 51 ALA HA H 1 4.02175 0.102 A 51 ALA HB% H 1 1.3635 0.301 A 51 ALA CA C 13 54.214 0.300 A 51 ALA CB C 13 18.669 0.300 A 51 ALA N N 15 121.402 0.300 A 52 LEU H H 1 6.666 0.100 A 52 LEU HA H 1 4.241 0.101 A 52 LEU HB2 H 1 1.467 0.101 A 52 LEU HB3 H 1 0.982 0.100 A 52 LEU HD1% H 1 0.5985 0.101 A 52 LEU HD2% H 1 0.35425 0.100 A 52 LEU HG H 1 1.26575 0.100 A 52 LEU CA C 13 54.214 0.300 A 52 LEU CB C 13 43.043 0.300 A 52 LEU CD1 C 13 24.255 0.300 A 52 LEU CD2 C 13 26.793 0.300 A 52 LEU CG C 13 27.809 0.300 A 52 LEU N N 15 115.425 0.300 A 53 GLY H H 1 7.587 0.100 A 53 GLY HA2 H 1 3.65675 0.100 A 53 GLY HA3 H 1 3.50775 0.101 A 53 GLY CA C 13 47.613 0.300 A 53 GLY N N 15 107.319 0.300 A 54 ASP H H 1 8.6425 0.100 A 54 ASP HA H 1 4.67975 0.101 A 54 ASP HB2 H 1 2.65675 0.103 A 54 ASP HB3 H 1 2.458 0.100 A 54 ASP CA C 13 54.214 0.300 A 54 ASP CB C 13 41.012 0.300 A 54 ASP N N 15 123.226 0.300 A 55 GLU H H 1 7.6295 0.100 A 55 GLU HA H 1 4.513 0.100 A 55 GLU HB2 H 1 1.9075 0.102 A 55 GLU HB3 H 1 1.65725 0.104 A 55 GLU HG2 H 1 2.01675 0.100 A 55 GLU CA C 13 54.214 0.300 A 55 GLU CB C 13 27.301 0.300 A 55 GLU CG C 13 34.410 0.300 A 55 GLU N N 15 121.853 0.300 A 56 ASP H H 1 8.1905 0.100 A 56 ASP HA H 1 3.90775 0.100 A 56 ASP HB2 H 1 2.55625 0.101 A 56 ASP HB3 H 1 2.34175 0.101 A 56 ASP CA C 13 57.769 0.300 A 56 ASP CB C 13 42.535 0.300 A 56 ASP N N 15 122.580 0.300 A 57 ASN H H 1 8.5555 0.100 A 57 ASN HA H 1 4.06925 0.100 A 57 ASN HB2 H 1 2.5985 0.101 A 57 ASN HB3 H 1 2.53375 0.104 A 57 ASN HD21 H 1 7.555 0.102 A 57 ASN HD22 H 1 6.864 0.104 A 57 ASN CA C 13 56.753 0.300 A 57 ASN CB C 13 36.949 0.300 A 57 ASN N N 15 114.014 0.300 A 58 ILE H H 1 7.222 0.101 A 58 ILE HA H 1 3.59375 0.100 A 58 ILE HB H 1 1.7965 0.101 A 58 ILE HD1% H 1 0.6535 0.100 A 58 ILE HG12 H 1 1.50475 0.103 A 58 ILE HG13 H 1 0.97975 0.102 A 58 ILE HG2% H 1 0.6745 0.102 A 58 ILE CA C 13 64.370 0.300 A 58 ILE CB C 13 36.949 0.300 A 58 ILE CD1 C 13 12.575 0.300 A 58 ILE CG1 C 13 28.825 0.300 A 58 ILE CG2 C 13 18.161 0.300 A 58 ILE N N 15 120.543 0.300 A 59 ARG H H 1 6.8425 0.100 A 59 ARG HA H 1 3.24125 0.101 A 59 ARG HB2 H 1 1.3705 0.100 A 59 ARG HB3 H 1 1.053 0.100 A 59 ARG HD2 H 1 2.261 0.102 A 59 ARG HD3 H 1 1.80375 0.100 A 59 ARG HE H 1 7.322 0.100 A 59 ARG HG2 H 1 1.015 0.104 A 59 ARG HG3 H 1 0.3495 0.101 A 59 ARG HH11 H 1 6.795 0.101 A 59 ARG HH12 H 1 6.795 0.101 A 59 ARG HH21 H 1 6.754 0.101 A 59 ARG CA C 13 59.800 0.300 A 59 ARG CB C 13 30.856 0.300 A 59 ARG CD C 13 43.043 0.300 A 59 ARG CG C 13 29.332 0.300 A 59 ARG N N 15 116.489 0.300 A 60 ARG H H 1 7.71 0.100 A 60 ARG HA H 1 2.271 0.100 A 60 ARG HB2 H 1 1.18975 0.102 A 60 ARG HB3 H 1 0.82125 0.100 A 60 ARG HD2 H 1 2.82125 0.102 A 60 ARG HD3 H 1 2.74975 0.101 A 60 ARG HE H 1 7.443 0.100 A 60 ARG HG2 H 1 0.7585 0.100 A 60 ARG HG3 H 1 0.60675 0.100 A 60 ARG HH11 H 1 6.852 0.101 A 60 ARG HH12 H 1 6.852 0.101 A 60 ARG HH21 H 1 6.447 0.100 A 60 ARG CA C 13 59.800 0.300 A 60 ARG CB C 13 29.840 0.300 A 60 ARG CD C 13 43.551 0.300 A 60 ARG CG C 13 27.301 0.300 A 60 ARG N N 15 117.622 0.300 A 61 GLN H H 1 7.4525 0.100 A 61 GLN HA H 1 3.70825 0.102 A 61 GLN HB2 H 1 1.9685 0.101 A 61 GLN HE21 H 1 7.416 0.100 A 61 GLN HE22 H 1 6.542 0.100 A 61 GLN HG2 H 1 2.23125 0.100 A 61 GLN HG3 H 1 2.13475 0.100 A 61 GLN CA C 13 58.785 0.300 A 61 GLN CB C 13 28.317 0.300 A 61 GLN CG C 13 33.395 0.300 A 61 GLN N N 15 116.792 0.300 A 62 ILE H H 1 7.7515 0.100 A 62 ILE HA H 1 3.624 0.100 A 62 ILE HB H 1 1.90375 0.100 A 62 ILE HD1% H 1 0.8825 0.100 A 62 ILE HG12 H 1 1.87525 0.100 A 62 ILE HG13 H 1 1.04875 0.102 A 62 ILE HG2% H 1 0.968 0.100 A 62 ILE CA C 13 65.386 0.300 A 62 ILE CB C 13 38.473 0.300 A 62 ILE CD1 C 13 15.114 0.300 A 62 ILE CG1 C 13 28.825 0.300 A 62 ILE CG2 C 13 17.145 0.300 A 62 ILE N N 15 118.652 0.300 A 63 PHE H H 1 7.9885 0.100 A 63 PHE HA H 1 3.95275 0.100 A 63 PHE HB2 H 1 3.1695 0.101 A 63 PHE HB3 H 1 3.03525 0.102 A 63 PHE HDx H 1 7.1805 0.100 A 63 PHE HDy H 1 7.1805 0.100 A 63 PHE HEx H 1 6.9765 0.100 A 63 PHE HEy H 1 6.9765 0.100 A 63 PHE HZ H 1 7.159 0.100 A 63 PHE CA C 13 62.847 0.300 A 63 PHE CB C 13 40.504 0.300 A 63 PHE CD1 C 13 129.115 0.300 A 63 PHE CE1 C 13 128.749 0.300 A 63 PHE CZ C 13 128.274 0.300 A 63 PHE N N 15 118.167 0.300 A 64 GLU H H 1 8.8795 0.100 A 64 GLU HA H 1 3.63675 0.100 A 64 GLU HB2 H 1 1.964 0.100 A 64 GLU HB3 H 1 1.882 0.100 A 64 GLU HG2 H 1 2.39425 0.101 A 64 GLU HG3 H 1 2.273 0.105 A 64 GLU CA C 13 59.800 0.300 A 64 GLU CB C 13 29.332 0.300 A 64 GLU CG C 13 36.442 0.300 A 64 GLU N N 15 120.579 0.300 A 65 ASP H H 1 7.713 0.100 A 65 ASP HA H 1 4.27725 0.100 A 65 ASP HB2 H 1 2.5955 0.100 A 65 ASP CA C 13 56.246 0.300 A 65 ASP CB C 13 41.520 0.300 A 65 ASP N N 15 116.584 0.300 A 66 PHE H H 1 7.368 0.100 A 66 PHE HA H 1 4.28575 0.102 A 66 PHE HB2 H 1 3.1525 0.100 A 66 PHE HB3 H 1 2.69475 0.100 A 66 PHE HDx H 1 6.64925 0.101 A 66 PHE HDy H 1 6.64925 0.101 A 66 PHE HEx H 1 6.772 0.100 A 66 PHE HEy H 1 6.772 0.100 A 66 PHE HZ H 1 7.338 0.100 A 66 PHE CA C 13 58.785 0.300 A 66 PHE CB C 13 40.504 0.300 A 66 PHE CD1 C 13 128.464 0.300 A 66 PHE CE1 C 13 127.705 0.300 A 66 PHE CZ C 13 125.758 0.300 A 66 PHE N N 15 121.913 0.300 A 67 LYS H H 1 7.791 0.100 A 67 LYS HA H 1 4.248 0.101 A 67 LYS HB2 H 1 1.372 0.100 A 67 LYS HD2 H 1 1.4295 0.101 A 67 LYS HE2 H 1 2.7745 0.103 A 67 LYS HG2 H 1 1.1955 0.103 A 67 LYS HG3 H 1 1.106 0.100 A 67 LYS CA C 13 51.675 0.300 A 67 LYS CB C 13 34.410 0.300 A 67 LYS CD C 13 29.332 0.300 A 67 LYS CE C 13 42.535 0.300 A 67 LYS CG C 13 24.762 0.300 A 67 LYS N N 15 129.906 0.300 A 68 PRO HA H 1 4.013 0.100 A 68 PRO HB2 H 1 1.8565 0.100 A 68 PRO HB3 H 1 1.48075 0.100 A 68 PRO HD2 H 1 3.367 0.100 A 68 PRO HD3 H 1 2.9335 0.100 A 68 PRO HG2 H 1 1.8315 0.100 A 68 PRO HG3 H 1 1.5655 0.100 A 68 PRO CA C 13 62.339 0.300 A 68 PRO CB C 13 32.887 0.300 A 68 PRO CD C 13 50.660 0.300 A 68 PRO CG C 13 27.809 0.300 A 69 GLU H H 1 8.677 0.100 A 69 GLU HA H 1 4.05175 0.100 A 69 GLU HB2 H 1 1.94725 0.100 A 69 GLU HB3 H 1 1.765 0.102 A 69 GLU HG2 H 1 2.18575 0.102 A 69 GLU HG3 H 1 2.121 0.102 A 69 GLU CA C 13 57.261 0.300 A 69 GLU CB C 13 32.887 0.300 A 69 GLU CG C 13 36.949 0.300 A 69 GLU N N 15 128.169 0.300 stop_ 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 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 6 GLU O A 10 LEU N 1.0 2.55 3.15 2 2 A 6 GLU O A 10 LEU H 1.0 1.60 2.20 3 3 A 7 ARG O A 11 GLU N 1.0 2.55 3.15 4 4 A 7 ARG O A 11 GLU H 1.0 1.60 2.20 5 5 A 8 ARG O A 12 GLN N 1.0 2.55 3.15 6 6 A 8 ARG O A 12 GLN H 1.0 1.60 2.20 7 7 A 9 ILE O A 13 LYS N 1.0 2.55 3.15 8 8 A 9 ILE O A 13 LYS H 1.0 1.60 2.20 9 9 A 10 LEU O A 14 LYS N 1.0 2.55 3.15 10 10 A 10 LEU O A 14 LYS H 1.0 1.60 2.20 11 11 A 11 GLU O A 15 HIS N 1.0 2.55 3.15 12 12 A 11 GLU O A 15 HIS H 1.0 1.60 2.20 13 13 A 12 GLN O A 16 TYR N 1.0 2.55 3.15 14 14 A 12 GLN O A 16 TYR H 1.0 1.60 2.20 15 15 A 13 LYS O A 17 PHE N 1.0 2.55 3.15 16 16 A 13 LYS O A 17 PHE H 1.0 1.60 2.20 17 17 A 14 LYS O A 18 TRP N 1.0 2.55 3.15 18 18 A 14 LYS O A 18 TRP H 1.0 1.60 2.20 19 19 A 15 HIS O A 19 LEU N 1.0 2.55 3.15 20 20 A 15 HIS O A 19 LEU H 1.0 1.60 2.20 21 21 A 16 TYR O A 20 LEU N 1.0 2.55 3.15 22 22 A 16 TYR O A 20 LEU H 1.0 1.60 2.20 23 23 A 17 PHE O A 21 LEU N 1.0 2.55 3.15 24 24 A 17 PHE O A 21 LEU H 1.0 1.60 2.20 25 25 A 18 TRP O A 22 GLN N 1.0 2.55 3.15 26 26 A 18 TRP O A 22 GLN H 1.0 1.60 2.20 27 27 A 19 LEU O A 23 ARG N 1.0 2.55 3.15 28 28 A 19 LEU O A 23 ARG H 1.0 1.60 2.20 29 29 A 20 LEU O A 24 THR N 1.0 2.55 3.15 30 30 A 20 LEU O A 24 THR H 1.0 1.60 2.20 31 31 A 21 LEU O A 25 TYR N 1.0 2.55 3.15 32 32 A 21 LEU O A 25 TYR H 1.0 1.60 2.20 33 33 A 35 THR O A 39 ALA N 1.0 2.55 3.15 34 34 A 35 THR O A 39 ALA H 1.0 1.60 2.20 35 35 A 36 TRP O A 40 SER N 1.0 2.55 3.15 36 36 A 36 TRP O A 40 SER H 1.0 1.60 2.20 37 37 A 37 ASP O A 41 LYS N 1.0 2.55 3.15 38 38 A 37 ASP O A 41 LYS H 1.0 1.60 2.20 39 39 A 38 LEU O A 42 GLU N 1.0 2.55 3.15 40 40 A 38 LEU O A 42 GLU H 1.0 1.60 2.20 41 41 A 39 ALA O A 43 LEU N 1.0 2.55 3.15 42 42 A 39 ALA O A 43 LEU H 1.0 1.60 2.20 43 43 A 47 LEU O A 50 LYS N 1.0 2.55 3.15 44 44 A 47 LEU O A 50 LYS H 1.0 1.60 2.20 45 45 A 48 GLU O A 51 ALA N 1.0 2.55 3.15 46 46 A 48 GLU O A 51 ALA H 1.0 1.60 2.20 47 47 A 56 ASP O A 60 ARG N 1.0 2.55 3.15 48 48 A 56 ASP O A 60 ARG H 1.0 1.60 2.20 49 49 A 57 ASN O A 61 GLN N 1.0 2.55 3.15 50 50 A 57 ASN O A 61 GLN H 1.0 1.60 2.20 51 51 A 58 ILE O A 62 ILE N 1.0 2.55 3.15 52 52 A 58 ILE O A 62 ILE H 1.0 1.60 2.20 53 53 A 59 ARG O A 63 PHE N 1.0 2.55 3.15 54 54 A 59 ARG O A 63 PHE H 1.0 1.60 2.20 55 55 A 60 ARG O A 64 GLU N 1.0 2.55 3.15 56 56 A 60 ARG O A 64 GLU H 1.0 1.60 2.20 57 57 A 61 GLN O A 65 ASP N 1.0 2.55 3.15 58 58 A 61 GLN O A 65 ASP H 1.0 1.60 2.20 59 59 A 62 ILE O A 66 PHE N 1.0 2.55 3.15 60 60 A 62 ILE O A 66 PHE H 1.0 1.60 2.20 stop_ save_