data_nef_c25916_2n9r 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_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 19 LYS C 1 20 NH2 N stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 PRO start . false 2 A 2 LYS middle . . 3 A 3 ILE middle . . 4 A 4 LEU middle . . 5 A 5 ASN middle . . 6 A 6 LYS middle . . 7 A 7 ILE middle . . 8 A 8 LEU middle . . 9 A 9 GLY middle . false 10 A 10 LYS middle . . 11 A 11 ILE middle . . 12 A 12 LEU middle . . 13 A 13 ARG middle . . 14 A 14 LEU middle . . 15 A 15 ALA middle . . 16 A 16 ALA middle . . 17 A 17 ALA middle . . 18 A 18 PHE middle . . 19 A 19 LYS middle . . 20 A 20 NH2 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 PRO HA H 1 4.5140 0.0000 A 1 PRO HBx H 1 2.0840 0.0000 A 1 PRO HD2 H 1 2.5550 0.0000 A 1 PRO HGx H 1 2.1020 0.0000 A 1 PRO CA C 13 58.9110 0.0000 A 1 PRO CB C 13 31.4470 0.0000 A 1 PRO CD C 13 49.4190 0.0000 A 1 PRO CG C 13 26.5660 0.0000 A 2 LYS H H 1 7.4410 0.0000 A 2 LYS HA H 1 4.3300 0.0000 A 2 LYS HBx H 1 1.9010 0.0000 A 2 LYS HDx H 1 1.7350 0.0000 A 2 LYS HEx H 1 3.0090 0.0000 A 2 LYS HGx H 1 1.4430 0.0000 A 2 LYS CA C 13 57.0840 0.0000 A 2 LYS CB C 13 32.2340 0.0000 A 2 LYS CD C 13 30.1270 0.0000 A 2 LYS CE C 13 42.2830 0.0000 A 2 LYS CG C 13 24.9750 0.0000 A 2 LYS N N 15 119.6820 0.0000 A 3 ILE H H 1 8.4240 0.0000 A 3 ILE HA H 1 3.8410 0.0000 A 3 ILE HB H 1 2.1200 0.0000 A 3 ILE HD1% H 1 0.9480 0.0000 A 3 ILE HG1x H 1 1.2500 0.0000 A 3 ILE HG2% H 1 0.8990 0.0000 A 3 ILE CA C 13 57.9480 0.0000 A 3 ILE CB C 13 37.4700 0.0000 A 3 ILE CD1 C 13 13.2160 0.0000 A 3 ILE CG1 C 13 26.7160 0.0000 A 3 ILE N N 15 119.9420 0.0000 A 4 LEU H H 1 8.0110 0.0000 A 4 LEU HA H 1 4.0060 0.0000 A 4 LEU HBx H 1 1.7590 0.0000 A 4 LEU HDx% H 1 0.9500 0.0000 A 4 LEU HDy% H 1 0.8900 0.0000 A 4 LEU HG H 1 1.5930 0.0000 A 4 LEU CA C 13 58.3490 0.0000 A 4 LEU CB C 13 41.4970 0.0000 A 4 LEU CDx C 13 24.7120 0.0000 A 4 LEU CDy C 13 24.8430 0.0000 A 4 LEU CG C 13 26.6110 0.0000 A 4 LEU N N 15 119.8070 0.0000 A 5 ASN H H 1 8.0550 0.0000 A 5 ASN HA H 1 4.3280 0.0000 A 5 ASN HBx H 1 2.7300 0.0000 A 5 ASN HD2y H 1 7.5360 0.0000 A 5 ASN HD2x H 1 6.8560 0.0000 A 5 ASN CA C 13 58.5050 0.0000 A 5 ASN CB C 13 39.0220 0.0000 A 5 ASN N N 15 119.7460 0.0000 A 5 ASN ND2 N 15 111.6070 0.0000 A 6 LYS H H 1 7.8130 0.0000 A 6 LYS HA H 1 4.1480 0.0000 A 6 LYS HBx H 1 2.0710 0.0000 A 6 LYS HDx H 1 1.5090 0.0000 A 6 LYS HEx H 1 3.0000 0.0000 A 6 LYS HGx H 1 1.6450 0.0000 A 6 LYS CA C 13 59.3090 0.0000 A 6 LYS CB C 13 32.0910 0.0000 A 6 LYS CD C 13 31.5000 0.0000 A 6 LYS CE C 13 42.2830 0.0000 A 6 LYS CG C 13 25.1070 0.0000 A 6 LYS N N 15 119.8580 0.0000 A 7 ILE H H 1 8.0940 0.0000 A 7 ILE HA H 1 3.7350 0.0000 A 7 ILE HB H 1 2.0100 0.0000 A 7 ILE HD1% H 1 0.8980 0.0000 A 7 ILE HG12 H 1 1.8600 0.0000 A 7 ILE HG2% H 1 0.8560 0.0000 A 7 ILE CB C 13 38.2800 0.0000 A 7 ILE CD1 C 13 14.0900 0.0000 A 7 ILE CG1 C 13 26.7690 0.0000 A 7 ILE CG2 C 13 17.7990 0.0000 A 7 ILE N N 15 119.5950 0.0000 A 8 LEU H H 1 8.5600 0.0000 A 8 LEU HA H 1 4.0290 0.0000 A 8 LEU HBx H 1 1.7500 0.0000 A 8 LEU HDx% H 1 0.9700 0.0000 A 8 LEU HDy% H 1 0.9200 0.0000 A 8 LEU HG H 1 1.7100 0.0000 A 8 LEU CA C 13 58.2600 0.0000 A 8 LEU CB C 13 41.5710 0.0000 A 8 LEU CDy C 13 24.9320 0.0000 A 8 LEU CDx C 13 24.2140 0.0000 A 8 LEU CG C 13 27.0470 0.0000 A 8 LEU N N 15 119.9700 0.0000 A 9 GLY H H 1 8.0960 0.0000 A 9 GLY HAx H 1 3.9500 0.0000 A 9 GLY CA C 13 49.0700 0.0000 A 10 LYS H H 1 7.5700 0.0000 A 10 LYS HA H 1 4.1990 0.0000 A 10 LYS HBx H 1 2.0890 0.0000 A 10 LYS HEx H 1 3.0040 0.0000 A 10 LYS HGx H 1 1.5110 0.0000 A 10 LYS CA C 13 58.5910 0.0000 A 10 LYS CB C 13 32.0900 0.0000 A 10 LYS CE C 13 42.2830 0.0000 A 10 LYS CG C 13 25.0230 0.0000 A 10 LYS N N 15 121.0520 0.0000 A 11 ILE H H 1 8.1290 0.0000 A 11 ILE HA H 1 3.7040 0.0000 A 11 ILE HB H 1 2.1050 0.0000 A 11 ILE HD1% H 1 0.9170 0.0000 A 11 ILE HG12 H 1 1.1440 0.0000 A 11 ILE HG2% H 1 0.8290 0.0000 A 11 ILE CB C 13 37.4860 0.0000 A 11 ILE CD1 C 13 13.6990 0.0000 A 11 ILE CG1 C 13 31.6600 0.0000 A 11 ILE CG2 C 13 17.7440 0.0000 A 11 ILE N N 15 119.5760 0.0000 A 12 LEU H H 1 8.5100 0.0000 A 12 LEU HA H 1 4.0620 0.0000 A 12 LEU HBx H 1 1.8800 0.0000 A 12 LEU HDx% H 1 0.9100 0.0000 A 12 LEU HDy% H 1 0.8900 0.0000 A 12 LEU HG H 1 1.5100 0.0000 A 12 LEU CA C 13 58.5370 0.0000 A 12 LEU CB C 13 41.5280 0.0000 A 12 LEU CDy C 13 24.3000 0.0000 A 12 LEU CDx C 13 24.2630 0.0000 A 12 LEU CG C 13 27.3930 0.0000 A 12 LEU N N 15 119.6810 0.0000 A 13 ARG H H 1 7.6810 0.0000 A 13 ARG HA H 1 4.1190 0.0000 A 13 ARG HBx H 1 1.9800 0.0000 A 13 ARG HDx H 1 3.2350 0.0000 A 13 ARG HE H 1 7.1970 0.0000 A 13 ARG HGx H 1 1.6800 0.0000 A 13 ARG HH21 H 1 7.2100 0.0000 A 13 ARG HH22 H 1 7.1840 0.0000 A 13 ARG CA C 13 58.0920 0.0000 A 13 ARG CB C 13 30.5860 0.0000 A 13 ARG CD C 13 43.6700 0.0000 A 13 ARG CG C 13 28.8980 0.0000 A 13 ARG N N 15 119.5110 0.0000 A 14 LEU H H 1 7.9910 0.0000 A 14 LEU HA H 1 4.1850 0.0000 A 14 LEU HBx H 1 1.9100 0.0000 A 14 LEU HDx% H 1 0.9710 0.0000 A 14 LEU HDy% H 1 0.9140 0.0000 A 14 LEU HG H 1 1.7190 0.0000 A 14 LEU CA C 13 57.9750 0.0000 A 14 LEU CB C 13 42.2080 0.0000 A 14 LEU CDy C 13 25.1620 0.0000 A 14 LEU CDx C 13 24.8400 0.0000 A 14 LEU CG C 13 26.2460 0.0000 A 14 LEU N N 15 121.3880 0.0000 A 15 ALA H H 1 8.4650 0.0000 A 15 ALA HA H 1 4.0590 0.0000 A 15 ALA HB% H 1 1.4900 0.0000 A 15 ALA CA C 13 54.9110 0.0000 A 15 ALA CB C 13 18.5450 0.0000 A 15 ALA N N 15 120.2890 0.0000 A 16 ALA H H 1 7.7340 0.0000 A 16 ALA HA H 1 4.1330 0.0000 A 16 ALA HB% H 1 1.5180 0.0000 A 16 ALA CA C 13 54.2310 0.0000 A 16 ALA CB C 13 18.6840 0.0000 A 16 ALA N N 15 117.9630 0.0000 A 17 ALA H H 1 7.6160 0.0000 A 17 ALA HA H 1 4.1960 0.0000 A 17 ALA HB% H 1 1.3160 0.0000 A 17 ALA CA C 13 53.7010 0.0000 A 17 ALA CB C 13 18.8200 0.0000 A 17 ALA N N 15 119.6180 0.0000 A 18 PHE H H 1 7.7100 0.0000 A 18 PHE HA H 1 4.5400 0.0000 A 18 PHE HBx H 1 2.9400 0.0000 A 18 PHE HDx H 1 7.3690 0.0000 A 18 PHE HDy H 1 7.3690 0.0000 A 18 PHE HEx H 1 7.2670 0.0000 A 18 PHE HEy H 1 7.2670 0.0000 A 18 PHE HZ H 1 7.2000 0.0000 A 18 PHE CA C 13 58.5100 0.0000 A 18 PHE CB C 13 37.9210 0.0000 A 18 PHE CDy C 13 132.2410 0.0000 A 18 PHE CDx C 13 132.0570 0.0000 A 18 PHE CEx C 13 131.1770 0.0000 A 18 PHE CEy C 13 131.3610 0.0000 A 18 PHE CZ C 13 129.6220 0.0000 A 18 PHE N N 15 116.8410 0.0000 A 19 LYS H H 1 7.4470 0.0000 A 19 LYS HA H 1 4.1560 0.0000 A 19 LYS HBx H 1 1.8600 0.0000 A 19 LYS HDx H 1 1.6940 0.0000 A 19 LYS HEx H 1 3.0020 0.0000 A 19 LYS HGx H 1 1.4400 0.0000 A 19 LYS CA C 13 59.1890 0.0000 A 19 LYS CB C 13 33.5440 0.0000 A 19 LYS CD C 13 28.9510 0.0000 A 19 LYS CE C 13 42.2830 0.0000 A 19 LYS CG C 13 24.9190 0.0000 A 19 LYS N N 15 125.3880 0.0000 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 1 PRO C A 2 LYS N A 2 LYS CA A 2 LYS C 1.0 -117.808 -31.982 PHI 2 2 A 2 LYS C A 3 ILE N A 3 ILE CA A 3 ILE C 1.0 -125.225 -73.739 PHI 3 3 A 3 ILE C A 4 LEU N A 4 LEU CA A 4 LEU C 1.0 -64.280 -55.596 PHI 4 4 A 4 LEU C A 5 ASN N A 5 ASN CA A 5 ASN C 1.0 -68.970 -59.178 PHI 5 5 A 5 ASN C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -65.843 -58.925 PHI 6 6 A 6 LYS C A 7 ILE N A 7 ILE CA A 7 ILE C 1.0 -67.348 -57.674 PHI 7 7 A 7 ILE C A 8 LEU N A 8 LEU CA A 8 LEU C 1.0 -66.787 -55.673 PHI 8 8 A 8 LEU C A 9 GLY N A 9 GLY CA A 9 GLY C 1.0 -70.479 -56.593 PHI 9 9 A 9 GLY C A 10 LYS N A 10 LYS CA A 10 LYS C 1.0 -73.219 -60.783 PHI 10 10 A 10 LYS C A 11 ILE N A 11 ILE CA A 11 ILE C 1.0 -68.477 -60.857 PHI 11 11 A 11 ILE C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -63.440 -50.254 PHI 12 12 A 12 LEU C A 13 ARG N A 13 ARG CA A 13 ARG C 1.0 -79.851 -54.601 PHI 13 13 A 13 ARG C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -85.776 -52.944 PHI 14 14 A 14 LEU C A 15 ALA N A 15 ALA CA A 15 ALA C 1.0 -67.761 -55.023 PHI 15 15 A 15 ALA C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -72.843 -62.747 PHI 16 16 A 16 ALA C A 17 ALA N A 17 ALA CA A 17 ALA C 1.0 -75.299 -53.631 PHI 17 17 A 17 ALA C A 18 PHE N A 18 PHE CA A 18 PHE C 1.0 -97.294 -62.432 PHI 18 18 A 2 LYS N A 2 LYS CA A 2 LYS C A 3 ILE N 1.0 100.684 181.322 PSI 19 19 A 3 ILE N A 3 ILE CA A 3 ILE C A 4 LEU N 1.0 129.366 194.958 PSI 20 20 A 4 LEU N A 4 LEU CA A 4 LEU C A 5 ASN N 1.0 -41.585 -33.005 PSI 21 21 A 5 ASN N A 5 ASN CA A 5 ASN C A 6 LYS N 1.0 -48.075 -39.495 PSI 22 22 A 6 LYS N A 6 LYS CA A 6 LYS C A 7 ILE N 1.0 -46.618 -40.910 PSI 23 23 A 7 ILE N A 7 ILE CA A 7 ILE C A 8 LEU N 1.0 -51.217 -34.631 PSI 24 24 A 8 LEU N A 8 LEU CA A 8 LEU C A 9 GLY N 1.0 -45.556 -34.898 PSI 25 25 A 9 GLY N A 9 GLY CA A 9 GLY C A 10 LYS N 1.0 -45.405 -33.569 PSI 26 26 A 10 LYS N A 10 LYS CA A 10 LYS C A 11 ILE N 1.0 -44.767 -31.931 PSI 27 27 A 11 ILE N A 11 ILE CA A 11 ILE C A 12 LEU N 1.0 -48.997 -36.109 PSI 28 28 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 ARG N 1.0 -48.658 -33.970 PSI 29 29 A 13 ARG N A 13 ARG CA A 13 ARG C A 14 LEU N 1.0 -47.175 -32.095 PSI 30 30 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 ALA N 1.0 -52.857 -16.781 PSI 31 31 A 15 ALA N A 15 ALA CA A 15 ALA C A 16 ALA N 1.0 -48.053 -24.401 PSI 32 32 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 ALA N 1.0 -42.782 -32.164 PSI 33 33 A 17 ALA N A 17 ALA CA A 17 ALA C A 18 PHE N 1.0 -46.682 -31.262 PSI 34 34 A 18 PHE N A 18 PHE CA A 18 PHE C A 19 LYS N 1.0 -46.699 5.239 PSI stop_ save_