data_nef_c30390_6bzk 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6BZK stop_ 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 SER middle . . 3 A 3 LYS middle . . 4 A 4 THR middle . . 5 A 5 ILE middle . . 6 A 6 GLN middle . . 7 A 7 GLU middle . . 8 A 8 LYS middle . . 9 A 9 GLU middle . . 10 A 10 GLN middle . . 11 A 11 GLU middle . . 12 A 12 LEU middle . . 13 A 13 LYS middle . . 14 A 14 ASN middle . . 15 A 15 LEU middle . . 16 A 16 LYS middle . . 17 A 17 ASP middle . . 18 A 18 ASN middle . . 19 A 19 VAL middle . . 20 A 20 GLU middle . . 21 A 21 LEU middle . . 22 A 22 GLU middle . . 23 A 23 ARG middle . . 24 A 24 LEU middle . . 25 A 25 LYS middle . . 26 A 26 ASN middle . . 27 A 27 GLU middle . . 28 A 28 ARG middle . . 29 A 29 HIS middle . . 30 A 30 ASP middle . . 31 A 31 HIS middle . . 32 A 32 ASP middle . . 33 A 33 GLU middle . . 34 A 34 GLU middle . . 35 A 35 ALA middle . . 36 A 36 GLU middle . . 37 A 37 ARG middle . . 38 A 38 LYS middle . . 39 A 39 ALA middle . . 40 A 40 LEU middle . . 41 A 41 GLU middle . . 42 A 42 ASP middle . . 43 A 43 LYS middle . . 44 A 44 LEU middle . . 45 A 45 ALA middle . . 46 A 46 ASP middle . . 47 A 47 LYS middle . . 48 A 48 GLN middle . . 49 A 49 GLU middle . . 50 A 50 HIS middle . . 51 A 51 LEU middle . . 52 A 52 ASP middle . . 53 A 53 GLY middle . false 54 A 54 ALA middle . . 55 A 55 LEU middle . . 56 A 56 ARG middle . . 57 A 57 TYR end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 2 SER HA H 1 4.503 0.02 A 2 SER HBx H 1 3.857 0.02 A 2 SER HBy H 1 3.857 0.02 A 2 SER C C 13 174.477 0.20 A 2 SER CA C 13 58.420 0.20 A 2 SER CB C 13 64.020 0.20 A 3 LYS H H 1 8.533 0.02 A 3 LYS HA H 1 4.457 0.02 A 3 LYS HBy H 1 1.838 0.02 A 3 LYS HBx H 1 1.758 0.02 A 3 LYS HGx H 1 1.451 0.02 A 3 LYS HGy H 1 1.451 0.02 A 3 LYS C C 13 176.967 0.20 A 3 LYS CA C 13 56.570 0.20 A 3 LYS CB C 13 33.530 0.20 A 3 LYS CD C 13 29.180 0.20 A 3 LYS CE C 13 42.130 0.20 A 3 LYS CG C 13 24.940 0.20 A 3 LYS N N 15 123.408 0.20 A 4 THR H H 1 8.401 0.02 A 4 THR HA H 1 4.355 0.02 A 4 THR HB H 1 4.768 0.02 A 4 THR HG2% H 1 1.241 0.02 A 4 THR C C 13 175.002 0.20 A 4 THR CA C 13 61.980 0.20 A 4 THR CB C 13 70.460 0.20 A 4 THR CG2 C 13 21.920 0.20 A 4 THR N N 15 115.500 0.20 A 5 ILE H H 1 8.363 0.02 A 5 ILE HA H 1 4.030 0.02 A 5 ILE HB H 1 1.860 0.02 A 5 ILE HG1x H 1 1.143 0.02 A 5 ILE HG1y H 1 1.143 0.02 A 5 ILE HG2% H 1 0.918 0.02 A 5 ILE C C 13 176.806 0.20 A 5 ILE CA C 13 62.420 0.20 A 5 ILE CB C 13 38.430 0.20 A 5 ILE CG1 C 13 27.940 0.20 A 5 ILE CG2 C 13 17.610 0.20 A 5 ILE N N 15 122.458 0.20 A 6 GLN H H 1 8.378 0.02 A 6 GLN HA H 1 4.238 0.02 A 6 GLN HBx H 1 2.038 0.02 A 6 GLN HBy H 1 2.038 0.02 A 6 GLN HGx H 1 2.398 0.02 A 6 GLN HGy H 1 2.398 0.02 A 6 GLN C C 13 177.191 0.20 A 6 GLN CA C 13 57.460 0.20 A 6 GLN CB C 13 28.900 0.20 A 6 GLN CG C 13 34.080 0.20 A 6 GLN N N 15 122.628 0.20 A 7 GLU H H 1 8.262 0.02 A 7 GLU HA H 1 4.153 0.02 A 7 GLU HBx H 1 2.046 0.02 A 7 GLU HBy H 1 2.046 0.02 A 7 GLU HGx H 1 2.290 0.02 A 7 GLU HGy H 1 2.290 0.02 A 7 GLU C C 13 177.856 0.20 A 7 GLU CA C 13 57.960 0.20 A 7 GLU CB C 13 30.300 0.20 A 7 GLU CG C 13 36.820 0.20 A 7 GLU N N 15 121.815 0.20 A 8 LYS H H 1 8.343 0.02 A 8 LYS HA H 1 4.176 0.02 A 8 LYS HBx H 1 1.857 0.02 A 8 LYS HBy H 1 1.857 0.02 A 8 LYS HDx H 1 1.710 0.02 A 8 LYS HDy H 1 1.710 0.02 A 8 LYS HGx H 1 1.449 0.02 A 8 LYS HGy H 1 1.449 0.02 A 8 LYS C C 13 177.788 0.20 A 8 LYS CA C 13 57.870 0.20 A 8 LYS CB C 13 32.610 0.20 A 8 LYS CD C 13 29.180 0.20 A 8 LYS CE C 13 41.510 0.20 A 8 LYS CG C 13 25.000 0.20 A 8 LYS N N 15 121.293 0.20 A 9 GLU H H 1 8.411 0.02 A 9 GLU HA H 1 4.114 0.02 A 9 GLU HBx H 1 2.052 0.02 A 9 GLU HBy H 1 2.052 0.02 A 9 GLU HGy H 1 2.351 0.02 A 9 GLU HGx H 1 2.246 0.02 A 9 GLU C C 13 177.900 0.20 A 9 GLU CA C 13 58.210 0.20 A 9 GLU CB C 13 29.870 0.20 A 9 GLU CG C 13 36.550 0.20 A 9 GLU N N 15 120.556 0.20 A 10 GLN H H 1 8.179 0.02 A 10 GLN HA H 1 4.161 0.02 A 10 GLN HBx H 1 2.095 0.02 A 10 GLN HBy H 1 2.095 0.02 A 10 GLN HGx H 1 2.401 0.02 A 10 GLN HGy H 1 2.401 0.02 A 10 GLN C C 13 176.900 0.20 A 10 GLN CA C 13 57.180 0.20 A 10 GLN CB C 13 29.040 0.20 A 10 GLN CG C 13 33.880 0.20 A 10 GLN N N 15 119.787 0.20 A 11 GLU H H 1 8.177 0.02 A 11 GLU HA H 1 4.162 0.02 A 11 GLU HBx H 1 2.055 0.02 A 11 GLU HBy H 1 2.055 0.02 A 11 GLU HGy H 1 2.349 0.02 A 11 GLU HGx H 1 2.224 0.02 A 11 GLU C C 13 177.600 0.20 A 11 GLU CA C 13 57.950 0.20 A 11 GLU CB C 13 30.080 0.20 A 11 GLU CG C 13 36.410 0.20 A 11 GLU N N 15 120.929 0.20 A 12 LEU H H 1 8.054 0.02 A 12 LEU HA H 1 4.244 0.02 A 12 LEU HBy H 1 1.730 0.02 A 12 LEU HBx H 1 1.591 0.02 A 12 LEU HDx% H 1 0.895 0.02 A 12 LEU HDy% H 1 0.895 0.02 A 12 LEU HG H 1 1.389 0.02 A 12 LEU C C 13 178.217 0.20 A 12 LEU CA C 13 56.340 0.20 A 12 LEU CB C 13 42.010 0.20 A 12 LEU CDy C 13 24.900 0.20 A 12 LEU CDx C 13 23.710 0.20 A 12 LEU CG C 13 26.950 0.20 A 12 LEU N N 15 121.357 0.20 A 13 LYS H H 1 8.048 0.02 A 13 LYS HA H 1 4.181 0.02 A 13 LYS HBy H 1 1.836 0.02 A 13 LYS HBx H 1 1.708 0.02 A 13 LYS HGx H 1 1.440 0.02 A 13 LYS HGy H 1 1.440 0.02 A 13 LYS C C 13 176.889 0.20 A 13 LYS CA C 13 57.460 0.20 A 13 LYS CB C 13 32.770 0.20 A 13 LYS CD C 13 29.110 0.20 A 13 LYS CE C 13 42.270 0.20 A 13 LYS CG C 13 24.930 0.20 A 13 LYS N N 15 120.587 0.20 A 14 ASN H H 1 8.236 0.02 A 14 ASN HA H 1 4.630 0.02 A 14 ASN HBx H 1 2.852 0.02 A 14 ASN HBy H 1 2.852 0.02 A 14 ASN C C 13 175.736 0.20 A 14 ASN CA C 13 54.320 0.20 A 14 ASN CB C 13 38.570 0.20 A 14 ASN N N 15 118.174 0.20 A 15 LEU H H 1 8.013 0.02 A 15 LEU HA H 1 4.286 0.02 A 15 LEU HBx H 1 1.689 0.02 A 15 LEU HBy H 1 1.689 0.02 A 15 LEU HDx% H 1 0.911 0.02 A 15 LEU HDy% H 1 0.911 0.02 A 15 LEU C C 13 177.900 0.20 A 15 LEU CA C 13 56.240 0.20 A 15 LEU CB C 13 42.280 0.20 A 15 LEU CDy C 13 24.950 0.20 A 15 LEU CDx C 13 23.690 0.20 A 15 LEU CG C 13 27.310 0.20 A 15 LEU N N 15 121.822 0.20 A 16 LYS H H 1 8.156 0.02 A 16 LYS HA H 1 4.237 0.02 A 16 LYS HBy H 1 1.835 0.02 A 16 LYS HBx H 1 1.705 0.02 A 16 LYS HGx H 1 1.446 0.02 A 16 LYS HGy H 1 1.446 0.02 A 16 LYS C C 13 176.841 0.20 A 16 LYS CA C 13 57.080 0.20 A 16 LYS CB C 13 32.870 0.20 A 16 LYS CD C 13 29.150 0.20 A 16 LYS CE C 13 42.280 0.20 A 16 LYS CG C 13 24.790 0.20 A 16 LYS N N 15 120.728 0.20 A 17 ASP H H 1 8.251 0.02 A 17 ASP HA H 1 4.549 0.02 A 17 ASP HBx H 1 2.692 0.02 A 17 ASP HBy H 1 2.692 0.02 A 17 ASP C C 13 176.538 0.20 A 17 ASP CA C 13 55.420 0.20 A 17 ASP CB C 13 41.060 0.20 A 17 ASP N N 15 120.263 0.20 A 18 ASN H H 1 8.304 0.02 A 18 ASN HA H 1 4.627 0.02 A 18 ASN HBx H 1 2.844 0.02 A 18 ASN HBy H 1 2.844 0.02 A 18 ASN C C 13 176.184 0.20 A 18 ASN CA C 13 54.490 0.20 A 18 ASN CB C 13 38.700 0.20 A 18 ASN N N 15 119.052 0.20 A 19 VAL H H 1 8.085 0.02 A 19 VAL HA H 1 3.923 0.02 A 19 VAL HB H 1 2.161 0.02 A 19 VAL HGx% H 1 0.978 0.02 A 19 VAL HGy% H 1 0.978 0.02 A 19 VAL C C 13 177.420 0.20 A 19 VAL CA C 13 64.500 0.20 A 19 VAL CB C 13 32.240 0.20 A 19 VAL CGx C 13 21.370 0.20 A 19 VAL CGy C 13 21.370 0.20 A 19 VAL N N 15 120.688 0.20 A 20 GLU H H 1 8.238 0.02 A 20 GLU HA H 1 4.243 0.02 A 20 GLU HBx H 1 2.034 0.02 A 20 GLU HBy H 1 2.034 0.02 A 20 GLU HGx H 1 2.297 0.02 A 20 GLU HGy H 1 2.297 0.02 A 20 GLU C C 13 177.760 0.20 A 20 GLU CA C 13 57.870 0.20 A 20 GLU CB C 13 29.660 0.20 A 20 GLU CG C 13 36.120 0.20 A 20 GLU N N 15 122.410 0.20 A 21 LEU H H 1 8.029 0.02 A 21 LEU HA H 1 4.158 0.02 A 21 LEU HBy H 1 1.736 0.02 A 21 LEU HBx H 1 1.606 0.02 A 21 LEU HDx% H 1 0.914 0.02 A 21 LEU HDy% H 1 0.914 0.02 A 21 LEU HG H 1 1.485 0.02 A 21 LEU C C 13 178.958 0.20 A 21 LEU CA C 13 57.070 0.20 A 21 LEU CB C 13 42.100 0.20 A 21 LEU CDy C 13 24.910 0.20 A 21 LEU CDx C 13 23.810 0.20 A 21 LEU CG C 13 27.040 0.20 A 21 LEU N N 15 120.920 0.20 A 22 GLU H H 1 8.156 0.02 A 22 GLU HA H 1 4.103 0.02 A 22 GLU HBx H 1 2.050 0.02 A 22 GLU HBy H 1 2.050 0.02 A 22 GLU HGx H 1 2.290 0.02 A 22 GLU HGy H 1 2.290 0.02 A 22 GLU C C 13 177.979 0.20 A 22 GLU CA C 13 58.160 0.20 A 22 GLU CB C 13 30.240 0.20 A 22 GLU CG C 13 36.270 0.20 A 22 GLU N N 15 119.760 0.20 A 23 ARG H H 1 8.012 0.02 A 23 ARG HA H 1 4.143 0.02 A 23 ARG HBx H 1 1.885 0.02 A 23 ARG HBy H 1 1.885 0.02 A 23 ARG HDx H 1 3.195 0.02 A 23 ARG HDy H 1 3.195 0.02 A 23 ARG HGx H 1 1.622 0.02 A 23 ARG HGy H 1 1.622 0.02 A 23 ARG C C 13 177.818 0.20 A 23 ARG CA C 13 58.190 0.20 A 23 ARG CB C 13 30.310 0.20 A 23 ARG CD C 13 43.370 0.20 A 23 ARG CG C 13 27.390 0.20 A 23 ARG N N 15 120.500 0.20 A 24 LEU H H 1 8.017 0.02 A 24 LEU HA H 1 4.184 0.02 A 24 LEU HBy H 1 1.753 0.02 A 24 LEU HBx H 1 1.584 0.02 A 24 LEU HDx% H 1 0.892 0.02 A 24 LEU HDy% H 1 0.892 0.02 A 24 LEU HG H 1 1.505 0.02 A 24 LEU C C 13 178.534 0.20 A 24 LEU CA C 13 56.510 0.20 A 24 LEU CB C 13 42.090 0.20 A 24 LEU CDy C 13 25.100 0.20 A 24 LEU CDx C 13 23.350 0.20 A 24 LEU CG C 13 26.910 0.20 A 24 LEU N N 15 120.340 0.20 A 25 LYS H H 1 7.978 0.02 A 25 LYS HA H 1 4.148 0.02 A 25 LYS HBx H 1 1.853 0.02 A 25 LYS HBy H 1 1.853 0.02 A 25 LYS HDx H 1 1.705 0.02 A 25 LYS HDy H 1 1.705 0.02 A 25 LYS HGy H 1 1.493 0.02 A 25 LYS HGx H 1 1.405 0.02 A 25 LYS C C 13 177.243 0.20 A 25 LYS CA C 13 57.800 0.20 A 25 LYS CB C 13 32.720 0.20 A 25 LYS CD C 13 29.350 0.20 A 25 LYS CE C 13 42.330 0.20 A 25 LYS CG C 13 24.920 0.20 A 25 LYS N N 15 120.035 0.20 A 26 ASN H H 1 8.135 0.02 A 26 ASN HA H 1 4.655 0.02 A 26 ASN HBy H 1 2.849 0.02 A 26 ASN HBx H 1 2.756 0.02 A 26 ASN C C 13 175.509 0.20 A 26 ASN CA C 13 53.840 0.20 A 26 ASN CB C 13 38.950 0.20 A 26 ASN N N 15 118.002 0.20 A 27 GLU H H 1 8.148 0.02 A 27 GLU HA H 1 4.242 0.02 A 27 GLU HBx H 1 1.912 0.02 A 27 GLU HBy H 1 1.912 0.02 A 27 GLU HGx H 1 2.256 0.02 A 27 GLU HGy H 1 2.256 0.02 A 27 GLU C C 13 177.858 0.20 A 27 GLU CA C 13 58.280 0.20 A 27 GLU CB C 13 30.320 0.20 A 27 GLU CG C 13 36.390 0.20 A 27 GLU N N 15 120.852 0.20 A 28 ARG H H 1 8.160 0.02 A 28 ARG HA H 1 4.264 0.02 A 28 ARG HBx H 1 1.813 0.02 A 28 ARG HBy H 1 1.813 0.02 A 28 ARG HGx H 1 1.602 0.02 A 28 ARG HGy H 1 1.602 0.02 A 28 ARG C C 13 176.300 0.20 A 28 ARG CA C 13 56.370 0.20 A 28 ARG CB C 13 30.760 0.20 A 28 ARG CD C 13 43.290 0.20 A 28 ARG CG C 13 27.110 0.20 A 28 ARG N N 15 120.900 0.20 A 29 HIS H H 1 8.505 0.02 A 29 HIS HA H 1 4.684 0.02 A 29 HIS HBy H 1 3.276 0.02 A 29 HIS HBx H 1 3.124 0.02 A 29 HIS C C 13 174.696 0.20 A 29 HIS CA C 13 55.760 0.20 A 29 HIS CB C 13 29.430 0.20 A 29 HIS N N 15 119.981 0.20 A 30 ASP H H 1 8.444 0.02 A 30 ASP HA H 1 4.526 0.02 A 30 ASP HBx H 1 2.612 0.02 A 30 ASP HBy H 1 2.612 0.02 A 30 ASP C C 13 176.216 0.20 A 30 ASP CA C 13 54.830 0.20 A 30 ASP CB C 13 41.040 0.20 A 30 ASP N N 15 120.802 0.20 A 31 HIS H H 1 8.431 0.02 A 31 HIS HA H 1 4.629 0.02 A 31 HIS HBx H 1 3.224 0.02 A 31 HIS HBy H 1 3.224 0.02 A 31 HIS C C 13 174.678 0.20 A 31 HIS CA C 13 56.230 0.20 A 31 HIS CB C 13 29.450 0.20 A 31 HIS N N 15 118.362 0.20 A 32 ASP H H 1 8.394 0.02 A 32 ASP HA H 1 4.589 0.02 A 32 ASP HBy H 1 2.782 0.02 A 32 ASP HBx H 1 2.649 0.02 A 32 ASP C C 13 176.641 0.20 A 32 ASP CA C 13 54.650 0.20 A 32 ASP CB C 13 40.940 0.20 A 32 ASP N N 15 122.147 0.20 A 33 GLU H H 1 8.580 0.02 A 33 GLU HA H 1 4.118 0.02 A 33 GLU HBx H 1 2.037 0.02 A 33 GLU HBy H 1 2.037 0.02 A 33 GLU HGx H 1 2.285 0.02 A 33 GLU HGy H 1 2.285 0.02 A 33 GLU C C 13 176.725 0.20 A 33 GLU CA C 13 58.150 0.20 A 33 GLU CB C 13 29.990 0.20 A 33 GLU CG C 13 36.460 0.20 A 33 GLU N N 15 122.349 0.20 A 34 GLU H H 1 8.309 0.02 A 34 GLU HA H 1 4.137 0.02 A 34 GLU HBx H 1 2.056 0.02 A 34 GLU HBy H 1 2.056 0.02 A 34 GLU HGx H 1 2.287 0.02 A 34 GLU HGy H 1 2.287 0.02 A 34 GLU C C 13 177.795 0.20 A 34 GLU CA C 13 55.950 0.20 A 34 GLU CB C 13 29.640 0.20 A 34 GLU CG C 13 36.340 0.20 A 34 GLU N N 15 120.581 0.20 A 35 ALA H H 1 8.072 0.02 A 35 ALA HA H 1 4.126 0.02 A 35 ALA HB% H 1 1.429 0.02 A 35 ALA C C 13 179.952 0.20 A 35 ALA CA C 13 54.220 0.20 A 35 ALA CB C 13 18.610 0.20 A 35 ALA N N 15 123.107 0.20 A 36 GLU H H 1 8.153 0.02 A 36 GLU HA H 1 4.143 0.02 A 36 GLU HBx H 1 2.056 0.02 A 36 GLU HBy H 1 2.056 0.02 A 36 GLU HGx H 1 2.311 0.02 A 36 GLU HGy H 1 2.311 0.02 A 36 GLU C C 13 177.979 0.20 A 36 GLU CA C 13 58.250 0.20 A 36 GLU CB C 13 29.790 0.20 A 36 GLU CG C 13 36.400 0.20 A 36 GLU N N 15 118.847 0.20 A 37 ARG H H 1 8.066 0.02 A 37 ARG HA H 1 4.171 0.02 A 37 ARG HBx H 1 1.884 0.02 A 37 ARG HBy H 1 1.884 0.02 A 37 ARG HGx H 1 1.432 0.02 A 37 ARG HGy H 1 1.432 0.02 A 37 ARG C C 13 177.858 0.20 A 37 ARG CA C 13 58.270 0.20 A 37 ARG CB C 13 30.100 0.20 A 37 ARG CG C 13 27.310 0.20 A 37 ARG N N 15 120.926 0.20 A 38 LYS H H 1 8.071 0.02 A 38 LYS HA H 1 4.134 0.02 A 38 LYS HBx H 1 1.844 0.02 A 38 LYS HBy H 1 1.844 0.02 A 38 LYS HGx H 1 1.471 0.02 A 38 LYS HGy H 1 1.471 0.02 A 38 LYS C C 13 177.485 0.20 A 38 LYS CA C 13 57.880 0.20 A 38 LYS CB C 13 32.580 0.20 A 38 LYS CD C 13 29.010 0.20 A 38 LYS CE C 13 41.170 0.20 A 38 LYS CG C 13 25.010 0.20 A 38 LYS N N 15 123.300 0.20 A 39 ALA H H 1 7.997 0.02 A 39 ALA HA H 1 4.233 0.02 A 39 ALA HB% H 1 1.450 0.02 A 39 ALA C C 13 179.233 0.20 A 39 ALA CA C 13 53.780 0.20 A 39 ALA CB C 13 18.510 0.20 A 39 ALA N N 15 122.272 0.20 A 40 LEU H H 1 7.872 0.02 A 40 LEU HA H 1 4.209 0.02 A 40 LEU HBx H 1 1.729 0.02 A 40 LEU HBy H 1 1.729 0.02 A 40 LEU HDx% H 1 0.914 0.02 A 40 LEU HDy% H 1 0.914 0.02 A 40 LEU C C 13 178.427 0.20 A 40 LEU CA C 13 56.770 0.20 A 40 LEU CB C 13 42.150 0.20 A 40 LEU CDy C 13 24.770 0.20 A 40 LEU CDx C 13 23.750 0.20 A 40 LEU CG C 13 26.890 0.20 A 40 LEU N N 15 119.692 0.20 A 41 GLU H H 1 8.141 0.02 A 41 GLU HA H 1 4.104 0.02 A 41 GLU HBx H 1 2.061 0.02 A 41 GLU HBy H 1 2.061 0.02 A 41 GLU HGx H 1 2.326 0.02 A 41 GLU HGy H 1 2.326 0.02 A 41 GLU C C 13 177.700 0.20 A 41 GLU CA C 13 57.940 0.20 A 41 GLU CB C 13 29.930 0.20 A 41 GLU CG C 13 36.380 0.20 A 41 GLU N N 15 120.139 0.20 A 42 ASP H H 1 8.314 0.02 A 42 ASP HA H 1 4.521 0.02 A 42 ASP HBx H 1 2.690 0.02 A 42 ASP HBy H 1 2.690 0.02 A 42 ASP C C 13 177.163 0.20 A 42 ASP CA C 13 55.430 0.20 A 42 ASP CB C 13 40.790 0.20 A 42 ASP N N 15 120.600 0.20 A 43 LYS H H 1 8.000 0.02 A 43 LYS HA H 1 4.244 0.02 A 43 LYS HBx H 1 1.881 0.02 A 43 LYS HBy H 1 1.881 0.02 A 43 LYS HGx H 1 1.476 0.02 A 43 LYS HGy H 1 1.476 0.02 A 43 LYS C C 13 177.541 0.20 A 43 LYS CA C 13 57.250 0.20 A 43 LYS CB C 13 32.650 0.20 A 43 LYS CD C 13 29.170 0.20 A 43 LYS CE C 13 42.200 0.20 A 43 LYS CG C 13 24.880 0.20 A 43 LYS N N 15 120.696 0.20 A 44 LEU H H 1 8.088 0.02 A 44 LEU HA H 1 4.262 0.02 A 44 LEU HBy H 1 1.730 0.02 A 44 LEU HBx H 1 1.589 0.02 A 44 LEU HDx% H 1 0.895 0.02 A 44 LEU HDy% H 1 0.895 0.02 A 44 LEU C C 13 177.755 0.20 A 44 LEU CA C 13 55.810 0.20 A 44 LEU CB C 13 42.010 0.20 A 44 LEU CDy C 13 25.060 0.20 A 44 LEU CDx C 13 23.380 0.20 A 44 LEU CG C 13 26.890 0.20 A 44 LEU N N 15 121.252 0.20 A 45 ALA H H 1 7.977 0.02 A 45 ALA HA H 1 4.244 0.02 A 45 ALA HB% H 1 1.422 0.02 A 45 ALA C C 13 177.788 0.20 A 45 ALA CA C 13 52.970 0.20 A 45 ALA CB C 13 19.120 0.20 A 45 ALA N N 15 123.184 0.20 A 46 ASP H H 1 8.119 0.02 A 46 ASP HA H 1 4.545 0.02 A 46 ASP HBx H 1 2.692 0.02 A 46 ASP HBy H 1 2.692 0.02 A 46 ASP C C 13 176.467 0.20 A 46 ASP CA C 13 54.640 0.20 A 46 ASP CB C 13 41.110 0.20 A 46 ASP N N 15 118.989 0.20 A 47 LYS H H 1 8.156 0.02 A 47 LYS HA H 1 4.282 0.02 A 47 LYS HBx H 1 1.836 0.02 A 47 LYS HBy H 1 1.836 0.02 A 47 LYS HEx H 1 2.975 0.02 A 47 LYS HEy H 1 2.975 0.02 A 47 LYS HGx H 1 1.430 0.02 A 47 LYS HGy H 1 1.430 0.02 A 47 LYS C C 13 177.856 0.20 A 47 LYS CA C 13 56.510 0.20 A 47 LYS CB C 13 32.720 0.20 A 47 LYS CE C 13 42.150 0.20 A 47 LYS CG C 13 24.650 0.20 A 47 LYS N N 15 121.191 0.20 A 48 GLN H H 1 8.304 0.02 A 48 GLN HA H 1 4.263 0.02 A 48 GLN HBx H 1 2.015 0.02 A 48 GLN HBy H 1 2.015 0.02 A 48 GLN HGx H 1 2.331 0.02 A 48 GLN HGy H 1 2.331 0.02 A 48 GLN C C 13 175.979 0.20 A 48 GLN CA C 13 56.030 0.20 A 48 GLN CB C 13 29.420 0.20 A 48 GLN CG C 13 33.880 0.20 A 48 GLN N N 15 120.500 0.20 A 49 GLU H H 1 8.393 0.02 A 49 GLU HA H 1 4.202 0.02 A 49 GLU HBx H 1 1.903 0.02 A 49 GLU HBy H 1 1.903 0.02 A 49 GLU HGx H 1 2.176 0.02 A 49 GLU HGy H 1 2.176 0.02 A 49 GLU C C 13 176.235 0.20 A 49 GLU CA C 13 56.850 0.20 A 49 GLU CB C 13 30.470 0.20 A 49 GLU CG C 13 36.270 0.20 A 49 GLU N N 15 121.445 0.20 A 50 HIS H H 1 8.482 0.02 A 50 HIS HA H 1 4.673 0.02 A 50 HIS HBy H 1 3.189 0.02 A 50 HIS HBx H 1 3.126 0.02 A 50 HIS C C 13 174.683 0.20 A 50 HIS CA C 13 55.480 0.20 A 50 HIS CB C 13 29.460 0.20 A 50 HIS N N 15 119.514 0.20 A 51 LEU H H 1 8.304 0.02 A 51 LEU HA H 1 4.349 0.02 A 51 LEU HBx H 1 1.578 0.02 A 51 LEU HBy H 1 1.578 0.02 A 51 LEU HDx% H 1 0.855 0.02 A 51 LEU HDy% H 1 0.855 0.02 A 51 LEU C C 13 177.103 0.20 A 51 LEU CA C 13 55.220 0.20 A 51 LEU CB C 13 42.300 0.20 A 51 LEU CDy C 13 24.830 0.20 A 51 LEU CDx C 13 23.420 0.20 A 51 LEU CG C 13 26.910 0.20 A 51 LEU N N 15 123.832 0.20 A 52 ASP H H 1 8.422 0.02 A 52 ASP HA H 1 4.547 0.02 A 52 ASP HBx H 1 2.676 0.02 A 52 ASP HBy H 1 2.676 0.02 A 52 ASP C C 13 176.910 0.20 A 52 ASP CA C 13 54.590 0.20 A 52 ASP CB C 13 41.220 0.20 A 52 ASP N N 15 121.125 0.20 A 53 GLY H H 1 8.352 0.02 A 53 GLY HAx H 1 3.916 0.02 A 53 GLY HAy H 1 3.916 0.02 A 53 GLY C C 13 174.100 0.20 A 53 GLY CA C 13 45.640 0.20 A 53 GLY N N 15 109.658 0.20 A 54 ALA H H 1 8.072 0.02 A 54 ALA HA H 1 4.272 0.02 A 54 ALA HB% H 1 1.366 0.02 A 54 ALA C C 13 177.637 0.20 A 54 ALA CA C 13 52.560 0.20 A 54 ALA CB C 13 19.300 0.20 A 54 ALA N N 15 123.200 0.20 A 55 LEU H H 1 8.082 0.02 A 55 LEU HA H 1 4.264 0.02 A 55 LEU HBy H 1 1.602 0.02 A 55 LEU HBx H 1 1.462 0.02 A 55 LEU HDx% H 1 0.870 0.02 A 55 LEU HDy% H 1 0.870 0.02 A 55 LEU C C 13 176.879 0.20 A 55 LEU CA C 13 55.130 0.20 A 55 LEU CB C 13 42.230 0.20 A 55 LEU CDy C 13 24.790 0.20 A 55 LEU CDx C 13 23.560 0.20 A 55 LEU CG C 13 26.990 0.20 A 55 LEU N N 15 120.805 0.20 A 56 ARG H H 1 8.084 0.02 A 56 ARG HA H 1 4.303 0.02 A 56 ARG HBy H 1 1.772 0.02 A 56 ARG HBx H 1 1.640 0.02 A 56 ARG HDx H 1 3.137 0.02 A 56 ARG HDy H 1 3.137 0.02 A 56 ARG HGx H 1 1.516 0.02 A 56 ARG HGy H 1 1.516 0.02 A 56 ARG C C 13 174.762 0.20 A 56 ARG CA C 13 55.680 0.20 A 56 ARG CB C 13 31.060 0.20 A 56 ARG CD C 13 43.260 0.20 A 56 ARG CG C 13 26.990 0.20 A 56 ARG N N 15 121.864 0.20 A 57 TYR H H 1 7.700 0.02 A 57 TYR HA H 1 4.374 0.02 A 57 TYR HBy H 1 3.071 0.02 A 57 TYR HBx H 1 2.845 0.02 A 57 TYR HDx H 1 6.654 0.02 A 57 TYR HDy H 1 6.654 0.02 A 57 TYR HEx H 1 6.452 0.02 A 57 TYR HEy H 1 6.452 0.02 A 57 TYR CA C 13 59.060 0.20 A 57 TYR CB C 13 39.570 0.20 A 57 TYR N N 15 126.033 0.20 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 5 ILE H A 4 THR HA 1.0 3.0 4.0 2 2 A 6 GLN H A 5 ILE HA 1.0 3.0 4.0 3 3 A 7 GLU H A 6 GLN HA 1.0 3.0 4.0 4 4 A 6 GLN H A 6 GLN HBx 1.0 1.8 3.5 5 4 A 6 GLN H A 6 GLN HBy 1.0 1.8 3.5 6 5 A 7 GLU H A 7 GLU HBx 1.0 1.8 3.5 7 5 A 7 GLU H A 7 GLU HBy 1.0 1.8 3.5 8 6 A 8 LYS H A 8 LYS HA 1.0 2.0 3.0 9 7 A 8 LYS HA A 9 GLU H 1.0 3.0 4.0 10 8 A 8 LYS H A 8 LYS HBx 1.0 1.8 3.5 11 8 A 8 LYS H A 8 LYS HBy 1.0 1.8 3.5 12 9 A 9 GLU H A 9 GLU HBx 1.0 1.8 3.5 13 9 A 9 GLU H A 9 GLU HBy 1.0 1.8 3.5 14 10 A 10 GLN H A 10 GLN HA 1.0 2.0 3.0 15 11 A 10 GLN H A 10 GLN HBx 1.0 2.0 3.0 16 11 A 10 GLN H A 10 GLN HBy 1.0 2.0 3.0 17 12 A 12 LEU H A 11 GLU HA 1.0 3.0 4.0 18 13 A 11 GLU H A 11 GLU HBx 1.0 1.8 3.5 19 13 A 11 GLU H A 11 GLU HBy 1.0 1.8 3.5 20 14 A 13 LYS H A 12 LEU HA 1.0 3.0 4.0 21 15 A 12 LEU H A 12 LEU HBy 1.0 1.8 3.5 22 15 A 12 LEU H A 12 LEU HBx 1.0 1.8 3.5 23 16 A 13 LYS H A 13 LYS HBy 1.0 1.8 3.5 24 16 A 13 LYS H A 13 LYS HBx 1.0 1.8 3.5 25 17 A 15 LEU H A 15 LEU HA 1.0 2.0 3.0 26 18 A 15 LEU H A 15 LEU HBx 1.0 1.8 3.5 27 18 A 15 LEU H A 15 LEU HBy 1.0 1.8 3.5 28 19 A 16 LYS H A 16 LYS HA 1.0 2.0 3.0 29 20 A 16 LYS HA A 17 ASP H 1.0 3.0 4.0 30 21 A 16 LYS H A 16 LYS HBy 1.0 1.8 3.5 31 21 A 16 LYS H A 16 LYS HBx 1.0 1.8 3.5 32 22 A 17 ASP H A 17 ASP HBx 1.0 1.8 3.5 33 22 A 17 ASP H A 17 ASP HBy 1.0 1.8 3.5 34 23 A 18 ASN H A 18 ASN HA 1.0 2.0 3.0 35 24 A 18 ASN HA A 19 VAL H 1.0 3.0 4.0 36 25 A 18 ASN H A 18 ASN HBx 1.0 1.8 3.5 37 25 A 18 ASN H A 18 ASN HBy 1.0 1.8 3.5 38 26 A 19 VAL H A 19 VAL HA 1.0 2.0 3.0 39 27 A 19 VAL HA A 20 GLU H 1.0 3.0 4.0 40 28 A 19 VAL H A 19 VAL HB 1.0 1.8 3.5 41 29 A 19 VAL H A 19 VAL HGx% 1.0 2.5 4.5 42 30 A 20 GLU H A 20 GLU HA 1.0 2.0 3.0 43 31 A 20 GLU HA A 21 LEU H 1.0 3.0 4.0 44 32 A 20 GLU H A 20 GLU HBx 1.0 1.8 3.5 45 32 A 20 GLU H A 20 GLU HBy 1.0 1.8 3.5 46 33 A 21 LEU H A 20 GLU HBx 1.0 2.5 4.5 47 33 A 21 LEU H A 20 GLU HBy 1.0 2.5 4.5 48 34 A 22 GLU H A 21 LEU HA 1.0 3.0 4.0 49 35 A 21 LEU H A 21 LEU HBy 1.0 1.8 3.5 50 35 A 21 LEU H A 21 LEU HBx 1.0 1.8 3.5 51 36 A 22 GLU H A 22 GLU HBx 1.0 1.8 3.5 52 36 A 22 GLU H A 22 GLU HBy 1.0 1.8 3.5 53 37 A 24 LEU H A 23 ARG HA 1.0 3.0 4.0 54 38 A 25 LYS H A 24 LEU HA 1.0 3.0 4.0 55 39 A 24 LEU H A 24 LEU HBy 1.0 1.8 3.5 56 39 A 24 LEU H A 24 LEU HBx 1.0 1.8 3.5 57 40 A 25 LYS H A 25 LYS HBx 1.0 1.8 3.5 58 40 A 25 LYS H A 25 LYS HBy 1.0 1.8 3.5 59 41 A 28 ARG H A 28 ARG HBx 1.0 1.8 3.5 60 41 A 28 ARG H A 28 ARG HBy 1.0 1.8 3.5 61 42 A 33 GLU H A 32 ASP HA 1.0 3.0 4.0 62 43 A 33 GLU H A 33 GLU HA 1.0 2.0 3.0 63 44 A 33 GLU H A 33 GLU HBx 1.0 1.8 3.5 64 44 A 33 GLU H A 33 GLU HBy 1.0 1.8 3.5 65 45 A 33 GLU H A 34 GLU H 1.0 2.3 3.3 66 46 A 34 GLU H A 34 GLU HA 1.0 2.0 3.0 67 47 A 34 GLU HA A 35 ALA H 1.0 3.0 4.0 68 48 A 34 GLU H A 34 GLU HBx 1.0 1.8 3.5 69 48 A 34 GLU H A 34 GLU HBy 1.0 1.8 3.5 70 49 A 35 ALA H A 34 GLU HBx 1.0 2.5 4.5 71 49 A 35 ALA H A 34 GLU HBy 1.0 2.5 4.5 72 50 A 36 GLU H A 35 ALA HB% 1.0 2.5 4.5 73 51 A 35 ALA H A 35 ALA HB% 1.0 1.8 3.5 74 52 A 36 GLU H A 36 GLU HA 1.0 2.0 3.0 75 53 A 36 GLU HA A 37 ARG H 1.0 3.0 4.0 76 54 A 36 GLU H A 36 GLU HBx 1.0 1.8 3.5 77 54 A 36 GLU H A 36 GLU HBy 1.0 1.8 3.5 78 55 A 37 ARG H A 37 ARG HBx 1.0 1.8 3.5 79 55 A 37 ARG H A 37 ARG HBy 1.0 1.8 3.5 80 56 A 39 ALA H A 38 LYS HBx 1.0 2.5 4.5 81 56 A 39 ALA H A 38 LYS HBy 1.0 2.5 4.5 82 57 A 39 ALA H A 39 ALA HA 1.0 2.0 3.0 83 58 A 39 ALA HA A 40 LEU H 1.0 3.0 4.0 84 59 A 39 ALA H A 39 ALA HB% 1.0 1.8 3.5 85 60 A 41 GLU H A 40 LEU HA 1.0 3.0 4.0 86 61 A 40 LEU H A 40 LEU HBx 1.0 1.8 3.5 87 61 A 40 LEU H A 40 LEU HBy 1.0 1.8 3.5 88 62 A 40 LEU H A 41 GLU H 1.0 2.3 3.3 89 63 A 41 GLU H A 41 GLU HBx 1.0 1.8 3.5 90 63 A 41 GLU H A 41 GLU HBy 1.0 1.8 3.5 91 64 A 42 ASP H A 41 GLU HBx 1.0 2.5 4.5 92 64 A 41 GLU HBy A 42 ASP H 1.0 2.5 4.5 93 65 A 42 ASP H A 42 ASP HA 1.0 2.0 3.0 94 66 A 42 ASP HA A 43 LYS H 1.0 3.0 4.0 95 67 A 42 ASP H A 42 ASP HBx 1.0 1.8 3.5 96 67 A 42 ASP H A 42 ASP HBy 1.0 1.8 3.5 97 68 A 43 LYS H A 43 LYS HA 1.0 2.0 3.0 98 69 A 43 LYS HA A 44 LEU H 1.0 3.0 4.0 99 70 A 43 LYS H A 43 LYS HBx 1.0 1.8 3.5 100 70 A 43 LYS H A 43 LYS HBy 1.0 1.8 3.5 101 71 A 45 ALA H A 44 LEU HA 1.0 3.0 4.0 102 72 A 44 LEU H A 44 LEU HBy 1.0 1.8 3.5 103 72 A 44 LEU H A 44 LEU HBx 1.0 1.8 3.5 104 73 A 46 ASP H A 45 ALA HA 1.0 3.0 4.0 105 74 A 45 ALA H A 45 ALA HB% 1.0 1.8 3.5 106 75 A 47 LYS H A 46 ASP HA 1.0 3.0 4.0 107 76 A 46 ASP HA A 48 GLN H 1.0 2.4 5.0 108 77 A 46 ASP H A 46 ASP HBx 1.0 1.8 3.5 109 77 A 46 ASP H A 46 ASP HBy 1.0 1.8 3.5 110 78 A 49 GLU H A 48 GLN HA 1.0 3.0 4.0 111 79 A 49 GLU H A 49 GLU HBx 1.0 1.8 3.5 112 79 A 49 GLU H A 49 GLU HBy 1.0 1.8 3.5 113 80 A 52 ASP H A 51 LEU HA 1.0 3.0 4.0 114 81 A 55 LEU H A 53 GLY HAx 1.0 2.4 5.0 115 81 A 55 LEU H A 53 GLY HAy 1.0 2.4 5.0 116 82 A 54 ALA H A 53 GLY H 1.0 2.3 3.3 117 83 A 55 LEU H A 53 GLY H 1.0 2.2 5.0 118 84 A 55 LEU H A 54 ALA HA 1.0 3.0 4.0 119 85 A 55 LEU H A 55 LEU HDx% 1.0 2.5 5.0 120 86 A 56 ARG H A 56 ARG HA 1.0 2.0 3.0 121 87 A 4 THR H A 3 LYS HA 1.0 3.0 4.0 122 88 A 5 ILE H A 4 THR HG2% 1.0 2.5 5.0 123 89 A 6 GLN H A 5 ILE HG2% 1.0 2.5 5.0 124 90 A 8 LYS H A 7 GLU HBx 1.0 2.5 4.5 125 90 A 7 GLU HBy A 8 LYS H 1.0 2.5 4.5 126 91 A 7 GLU H A 7 GLU HGx 1.0 2.5 4.5 127 91 A 7 GLU H A 7 GLU HGy 1.0 2.5 4.5 128 92 A 9 GLU H A 8 LYS HBx 1.0 2.5 4.5 129 92 A 9 GLU H A 8 LYS HBy 1.0 2.5 4.5 130 93 A 8 LYS H A 8 LYS HGx 1.0 2.5 4.5 131 93 A 8 LYS H A 8 LYS HGy 1.0 2.5 4.5 132 94 A 9 GLU H A 9 GLU HGy 1.0 2.5 4.5 133 94 A 9 GLU H A 9 GLU HGx 1.0 2.5 4.5 134 95 A 10 GLN H A 10 GLN HGx 1.0 2.5 4.5 135 95 A 10 GLN H A 10 GLN HGy 1.0 2.5 4.5 136 96 A 12 LEU H A 11 GLU HBx 1.0 2.5 4.5 137 96 A 12 LEU H A 11 GLU HBy 1.0 2.5 4.5 138 97 A 14 ASN H A 13 LYS HA 1.0 3.0 4.0 139 98 A 14 ASN H A 13 LYS HBy 1.0 2.5 4.5 140 98 A 13 LYS HBx A 14 ASN H 1.0 2.5 4.5 141 99 A 14 ASN H A 14 ASN HA 1.0 2.0 3.0 142 100 A 15 LEU H A 14 ASN HA 1.0 3.0 4.0 143 101 A 14 ASN H A 14 ASN HBx 1.0 1.8 3.5 144 101 A 14 ASN H A 14 ASN HBy 1.0 1.8 3.5 145 102 A 17 ASP H A 16 LYS HBy 1.0 2.5 4.5 146 102 A 17 ASP H A 16 LYS HBx 1.0 2.5 4.5 147 103 A 17 ASP H A 17 ASP HA 1.0 2.0 3.0 148 104 A 20 GLU H A 19 VAL HGx% 1.0 2.5 5.0 149 105 A 22 GLU H A 21 LEU HBy 1.0 2.5 4.5 150 105 A 22 GLU H A 21 LEU HBx 1.0 2.5 4.5 151 106 A 21 LEU H A 21 LEU HDx% 1.0 2.5 5.0 152 107 A 25 LYS H A 24 LEU HBy 1.0 2.5 4.5 153 107 A 25 LYS H A 24 LEU HBx 1.0 2.5 4.5 154 108 A 24 LEU H A 24 LEU HDx% 1.0 2.5 5.0 155 109 A 26 ASN H A 25 LYS HA 1.0 3.0 4.0 156 110 A 26 ASN H A 26 ASN HBy 1.0 1.8 3.5 157 110 A 26 ASN H A 26 ASN HBx 1.0 1.8 3.5 158 111 A 32 ASP H A 31 HIS HA 1.0 3.0 4.0 159 112 A 32 ASP H A 32 ASP HBy 1.0 1.8 3.5 160 112 A 32 ASP H A 32 ASP HBx 1.0 1.8 3.5 161 113 A 33 GLU H A 32 ASP HBy 1.0 2.5 4.5 162 113 A 33 GLU H A 32 ASP HBx 1.0 2.5 4.5 163 114 A 33 GLU H A 33 GLU HGx 1.0 2.5 4.5 164 114 A 33 GLU H A 33 GLU HGy 1.0 2.5 4.5 165 115 A 36 GLU H A 36 GLU HGx 1.0 2.5 4.5 166 115 A 36 GLU H A 36 GLU HGy 1.0 2.5 4.5 167 116 A 40 LEU H A 39 ALA HB% 1.0 2.5 4.5 168 117 A 42 ASP H A 41 GLU HGx 1.0 2.5 5.0 169 117 A 42 ASP H A 41 GLU HGy 1.0 2.5 5.0 170 118 A 43 LYS H A 42 ASP HBx 1.0 2.5 4.5 171 118 A 43 LYS H A 42 ASP HBy 1.0 2.5 4.5 172 119 A 43 LYS H A 43 LYS HGx 1.0 2.5 4.5 173 119 A 43 LYS H A 43 LYS HGy 1.0 2.5 4.5 174 120 A 45 ALA H A 44 LEU HBy 1.0 2.5 4.5 175 120 A 45 ALA H A 44 LEU HBx 1.0 2.5 4.5 176 121 A 46 ASP H A 45 ALA HB% 1.0 2.5 4.5 177 122 A 46 ASP H A 46 ASP HA 1.0 2.0 3.0 178 123 A 47 LYS H A 46 ASP HBx 1.0 2.5 4.5 179 123 A 47 LYS H A 46 ASP HBy 1.0 2.5 4.5 180 124 A 48 GLN H A 47 LYS HBx 1.0 2.5 4.5 181 124 A 48 GLN H A 47 LYS HBy 1.0 2.5 4.5 182 125 A 48 GLN H A 47 LYS HGx 1.0 2.5 5.0 183 125 A 48 GLN H A 47 LYS HGy 1.0 2.5 5.0 184 126 A 49 GLU H A 49 GLU HGx 1.0 2.5 4.5 185 126 A 49 GLU H A 49 GLU HGy 1.0 2.5 4.5 186 127 A 51 LEU H A 50 HIS HA 1.0 3.0 4.0 187 128 A 51 LEU H A 51 LEU HBx 1.0 1.8 3.5 188 128 A 51 LEU H A 51 LEU HBy 1.0 1.8 3.5 189 129 A 52 ASP H A 51 LEU HBx 1.0 2.5 4.5 190 129 A 52 ASP H A 51 LEU HBy 1.0 2.5 4.5 191 130 A 52 ASP H A 52 ASP HA 1.0 2.0 3.0 192 131 A 53 GLY H A 52 ASP HA 1.0 3.0 4.0 193 132 A 52 ASP H A 52 ASP HBx 1.0 1.8 3.5 194 132 A 52 ASP H A 52 ASP HBy 1.0 1.8 3.5 195 133 A 53 GLY H A 53 GLY HAx 1.0 2.0 3.0 196 133 A 53 GLY HAy A 53 GLY H 1.0 2.0 3.0 197 134 A 54 ALA H A 53 GLY HAx 1.0 3.0 4.0 198 134 A 53 GLY HAy A 54 ALA H 1.0 3.0 4.0 199 135 A 56 ARG HA A 57 TYR H 1.0 3.0 4.0 200 136 A 4 THR H A 4 THR HB 1.0 1.8 3.5 201 137 A 4 THR H A 4 THR HG2% 1.0 2.5 4.5 202 138 A 8 LYS H A 7 GLU HGx 1.0 2.5 5.0 203 138 A 8 LYS H A 7 GLU HGy 1.0 2.5 5.0 204 139 A 13 LYS H A 12 LEU HDx% 1.0 2.5 5.0 205 140 A 15 LEU H A 14 ASN HBx 1.0 2.5 4.5 206 140 A 15 LEU H A 14 ASN HBy 1.0 2.5 4.5 207 141 A 17 ASP H A 16 LYS HGx 1.0 2.5 5.0 208 141 A 17 ASP H A 16 LYS HGy 1.0 2.5 5.0 209 142 A 18 ASN HA A 20 GLU H 1.0 2.4 5.0 210 143 A 21 LEU H A 20 GLU HGx 1.0 2.5 5.0 211 143 A 21 LEU H A 20 GLU HGy 1.0 2.5 5.0 212 144 A 24 LEU H A 23 ARG HDx 1.0 2.5 5.0 213 144 A 24 LEU H A 23 ARG HDy 1.0 2.5 5.0 214 145 A 25 LYS H A 24 LEU HDx% 1.0 2.5 5.0 215 146 A 26 ASN H A 25 LYS HBx 1.0 2.5 4.5 216 146 A 25 LYS HBy A 26 ASN H 1.0 2.5 4.5 217 147 A 26 ASN H A 26 ASN HA 1.0 2.0 3.0 218 148 A 29 HIS H A 28 ARG HA 1.0 3.0 4.0 219 149 A 29 HIS H A 28 ARG HBx 1.0 2.5 4.5 220 149 A 28 ARG HBy A 29 HIS H 1.0 2.5 4.5 221 150 A 30 ASP H A 29 HIS HA 1.0 3.0 4.0 222 151 A 29 HIS H A 29 HIS HBy 1.0 1.8 3.5 223 151 A 29 HIS H A 29 HIS HBx 1.0 1.8 3.5 224 152 A 30 ASP H A 29 HIS HBy 1.0 2.5 4.5 225 152 A 30 ASP H A 29 HIS HBx 1.0 2.5 4.5 226 153 A 30 ASP H A 30 ASP HBx 1.0 1.8 3.5 227 153 A 30 ASP H A 30 ASP HBy 1.0 1.8 3.5 228 154 A 31 HIS H A 30 ASP HBx 1.0 2.5 4.5 229 154 A 30 ASP HBy A 31 HIS H 1.0 2.5 4.5 230 155 A 31 HIS HA A 31 HIS H 1.0 2.0 3.0 231 156 A 31 HIS H A 31 HIS HBx 1.0 1.8 3.5 232 156 A 31 HIS H A 31 HIS HBy 1.0 1.8 3.5 233 157 A 32 ASP H A 31 HIS HBx 1.0 2.5 4.5 234 157 A 32 ASP H A 31 HIS HBy 1.0 2.5 4.5 235 158 A 37 ARG H A 36 GLU HGx 1.0 2.5 5.0 236 158 A 37 ARG H A 36 GLU HGy 1.0 2.5 5.0 237 159 A 40 LEU H A 40 LEU HDx% 1.0 2.5 5.0 238 160 A 42 ASP HA A 45 ALA H 1.0 2.9 3.9 239 161 A 45 ALA H A 44 LEU HDx% 1.0 2.5 5.0 240 162 A 50 HIS H A 49 GLU HA 1.0 3.0 4.0 241 163 A 50 HIS H A 49 GLU HBx 1.0 2.5 4.5 242 163 A 49 GLU HBy A 50 HIS H 1.0 2.5 4.5 243 164 A 50 HIS HA A 50 HIS H 1.0 2.0 3.0 244 165 A 50 HIS H A 50 HIS HBy 1.0 1.8 3.5 245 165 A 50 HIS H A 50 HIS HBx 1.0 1.8 3.5 246 166 A 51 LEU H A 50 HIS HBy 1.0 2.5 4.5 247 166 A 51 LEU H A 50 HIS HBx 1.0 2.5 4.5 248 167 A 51 LEU HA A 51 LEU H 1.0 2.0 3.0 249 168 A 53 GLY H A 52 ASP HBx 1.0 2.5 4.5 250 168 A 53 GLY H A 52 ASP HBy 1.0 2.5 4.5 251 169 A 57 TYR H A 56 ARG HBy 1.0 2.5 4.5 252 169 A 57 TYR H A 56 ARG HBx 1.0 2.5 4.5 253 170 A 57 TYR H A 57 TYR HBy 1.0 1.8 3.5 254 171 A 4 THR H A 3 LYS HBy 1.0 2.5 4.5 255 171 A 4 THR H A 3 LYS HBx 1.0 2.5 4.5 256 172 A 4 THR H A 3 LYS HGx 1.0 2.5 5.0 257 172 A 4 THR H A 3 LYS HGy 1.0 2.5 5.0 258 173 A 4 THR HA A 4 THR H 1.0 2.0 3.0 259 174 A 5 ILE H A 4 THR HB 1.0 2.5 4.5 260 175 A 5 ILE HA A 7 GLU H 1.0 2.4 5.0 261 176 A 5 ILE HA A 9 GLU H 1.0 2.2 5.0 262 177 A 5 ILE H A 5 ILE HB 1.0 1.8 3.5 263 178 A 6 GLN H A 6 GLN HBx 1.0 2.0 3.0 264 178 A 6 GLN H A 6 GLN HBy 1.0 2.0 3.0 265 179 A 7 GLU H A 6 GLN HBx 1.0 2.5 4.5 266 179 A 7 GLU H A 6 GLN HBy 1.0 2.5 4.5 267 180 A 6 GLN H A 6 GLN HGx 1.0 2.5 4.5 268 180 A 6 GLN H A 6 GLN HGy 1.0 2.5 4.5 269 181 A 7 GLU H A 6 GLN HGx 1.0 2.5 5.0 270 181 A 7 GLU H A 6 GLN HGy 1.0 2.5 5.0 271 182 A 8 LYS HA A 10 GLN H 1.0 2.4 5.0 272 183 A 8 LYS H A 8 LYS HEx 1.0 2.5 5.0 273 183 A 8 LYS H A 8 LYS HEy 1.0 2.5 5.0 274 184 A 9 GLU H A 8 LYS HEx 1.0 2.5 5.0 275 184 A 9 GLU H A 8 LYS HEy 1.0 2.5 5.0 276 185 A 9 GLU H A 8 LYS HGx 1.0 2.5 5.0 277 185 A 9 GLU H A 8 LYS HGy 1.0 2.5 5.0 278 186 A 10 GLN H A 9 GLU HGy 1.0 2.5 5.0 279 186 A 10 GLN H A 9 GLU HGx 1.0 2.5 5.0 280 187 A 10 GLN HA A 11 GLU H 1.0 3.0 4.0 281 188 A 12 LEU H A 11 GLU HGy 1.0 2.5 5.0 282 188 A 12 LEU H A 11 GLU HGx 1.0 2.5 5.0 283 189 A 12 LEU H A 12 LEU HA 1.0 2.0 3.0 284 190 A 13 LYS H A 12 LEU HBy 1.0 2.5 4.5 285 190 A 13 LYS H A 12 LEU HBx 1.0 2.5 4.5 286 191 A 12 LEU H A 12 LEU HDx% 1.0 2.5 5.0 287 192 A 12 LEU H A 12 LEU HDy% 1.0 2.5 5.0 288 193 A 12 LEU H A 12 LEU HG 1.0 2.5 4.5 289 194 A 13 LYS H A 13 LYS HA 1.0 2.0 3.0 290 195 A 14 ASN H A 13 LYS HDx 1.0 2.5 5.0 291 195 A 14 ASN H A 13 LYS HDy 1.0 2.5 5.0 292 196 A 13 LYS H A 13 LYS HGx 1.0 2.5 4.5 293 196 A 13 LYS H A 13 LYS HGy 1.0 2.5 4.5 294 197 A 14 ASN H A 13 LYS HGx 1.0 2.5 5.0 295 197 A 14 ASN H A 13 LYS HGy 1.0 2.5 5.0 296 198 A 15 LEU H A 15 LEU HDx% 1.0 2.5 5.0 297 199 A 15 LEU H A 15 LEU HDy% 1.0 2.5 5.0 298 200 A 15 LEU H A 15 LEU HG 1.0 2.5 4.5 299 201 A 16 LYS H A 15 LEU HG 1.0 2.5 5.0 300 202 A 17 ASP H A 16 LYS HDx 1.0 2.5 5.0 301 202 A 17 ASP H A 16 LYS HDy 1.0 2.5 5.0 302 203 A 16 LYS H A 16 LYS HEx 1.0 2.5 5.0 303 203 A 16 LYS H A 16 LYS HEy 1.0 2.5 5.0 304 204 A 16 LYS H A 16 LYS HGx 1.0 2.5 4.5 305 204 A 16 LYS H A 16 LYS HGy 1.0 2.5 4.5 306 205 A 18 ASN H A 17 ASP HBx 1.0 2.5 4.5 307 205 A 17 ASP HBy A 18 ASN H 1.0 2.5 4.5 308 206 A 18 ASN HA A 21 LEU H 1.0 1.8 3.5 309 207 A 19 VAL H A 18 ASN HBx 1.0 2.5 4.5 310 207 A 19 VAL H A 18 ASN HBy 1.0 2.5 4.5 311 208 A 19 VAL HA A 23 ARG H 1.0 2.2 5.0 312 209 A 20 GLU H A 19 VAL HB 1.0 2.5 4.5 313 210 A 20 GLU H A 20 GLU HGx 1.0 2.5 4.5 314 210 A 20 GLU H A 20 GLU HGy 1.0 2.5 4.5 315 211 A 22 GLU H A 21 LEU HDx% 1.0 2.5 5.0 316 212 A 21 LEU H A 21 LEU HDy% 1.0 2.5 5.0 317 213 A 22 GLU H A 21 LEU HDy% 1.0 2.5 5.0 318 214 A 21 LEU H A 21 LEU HG 1.0 2.5 4.5 319 215 A 22 GLU H A 21 LEU HG 1.0 2.5 5.0 320 216 A 22 GLU H A 22 GLU HA 1.0 2.0 3.0 321 217 A 23 ARG H A 22 GLU HBx 1.0 2.5 4.5 322 217 A 22 GLU HBy A 23 ARG H 1.0 2.5 4.5 323 218 A 23 ARG HA A 23 ARG H 1.0 2.0 3.0 324 219 A 24 LEU H A 23 ARG HBx 1.0 2.5 4.5 325 219 A 24 LEU H A 23 ARG HBy 1.0 2.5 4.5 326 220 A 24 LEU H A 24 LEU HA 1.0 2.0 3.0 327 221 A 24 LEU H A 24 LEU HDy% 1.0 2.5 5.0 328 222 A 25 LYS H A 24 LEU HDy% 1.0 2.5 5.0 329 223 A 24 LEU H A 24 LEU HG 1.0 2.5 4.5 330 224 A 25 LYS H A 24 LEU HG 1.0 2.5 5.0 331 225 A 25 LYS H A 25 LYS HA 1.0 2.0 3.0 332 226 A 25 LYS H A 25 LYS HDx 1.0 2.5 5.0 333 226 A 25 LYS H A 25 LYS HDy 1.0 2.5 5.0 334 227 A 26 ASN H A 25 LYS HEx 1.0 2.5 5.0 335 227 A 26 ASN H A 25 LYS HEy 1.0 2.5 5.0 336 228 A 26 ASN H A 25 LYS HGy 1.0 2.5 5.0 337 228 A 26 ASN H A 25 LYS HGx 1.0 2.5 5.0 338 229 A 27 GLU H A 26 ASN HBy 1.0 2.5 4.5 339 229 A 26 ASN HBx A 27 GLU H 1.0 2.5 4.5 340 230 A 28 ARG H A 27 GLU HBx 1.0 2.5 4.5 341 230 A 28 ARG H A 27 GLU HBy 1.0 2.5 4.5 342 231 A 28 ARG H A 27 GLU HGx 1.0 2.5 5.0 343 231 A 28 ARG H A 27 GLU HGy 1.0 2.5 5.0 344 232 A 31 HIS H A 30 ASP HA 1.0 3.0 4.0 345 233 A 32 ASP HA A 32 ASP H 1.0 2.0 3.0 346 234 A 33 GLU HA A 34 GLU H 1.0 3.0 4.0 347 235 A 34 GLU H A 34 GLU HGx 1.0 2.5 4.5 348 235 A 34 GLU H A 34 GLU HGy 1.0 2.5 4.5 349 236 A 35 ALA H A 34 GLU HGx 1.0 2.5 5.0 350 236 A 35 ALA H A 34 GLU HGy 1.0 2.5 5.0 351 237 A 36 GLU H A 35 ALA HA 1.0 3.0 4.0 352 238 A 38 LYS H A 37 ARG HA 1.0 3.0 4.0 353 239 A 40 LEU H A 37 ARG HA 1.0 2.9 3.9 354 240 A 37 ARG H A 37 ARG HGx 1.0 2.5 4.5 355 240 A 37 ARG H A 37 ARG HGy 1.0 2.5 4.5 356 241 A 39 ALA H A 38 LYS HA 1.0 3.0 4.0 357 242 A 38 LYS H A 38 LYS HBx 1.0 1.8 3.5 358 242 A 38 LYS HBy A 38 LYS H 1.0 1.8 3.5 359 243 A 38 LYS H A 38 LYS HEx 1.0 2.5 5.0 360 243 A 38 LYS H A 38 LYS HEy 1.0 2.5 5.0 361 244 A 39 ALA H A 38 LYS HGx 1.0 2.5 5.0 362 244 A 39 ALA H A 38 LYS HGy 1.0 2.5 5.0 363 245 A 39 ALA HA A 43 LYS H 1.0 2.2 5.0 364 246 A 40 LEU H A 40 LEU HA 1.0 2.0 3.0 365 247 A 41 GLU H A 40 LEU HBx 1.0 2.5 4.5 366 247 A 41 GLU H A 40 LEU HBy 1.0 2.5 4.5 367 248 A 40 LEU H A 40 LEU HDy% 1.0 2.5 5.0 368 249 A 40 LEU H A 40 LEU HG 1.0 2.5 4.5 369 250 A 41 GLU H A 40 LEU HG 1.0 2.5 5.0 370 251 A 41 GLU H A 41 GLU HA 1.0 2.0 3.0 371 252 A 41 GLU H A 41 GLU HGx 1.0 2.5 4.5 372 252 A 41 GLU H A 41 GLU HGy 1.0 2.5 4.5 373 253 A 43 LYS HA A 45 ALA H 1.0 2.4 5.0 374 254 A 43 LYS HA A 46 ASP H 1.0 2.9 3.9 375 255 A 44 LEU H A 43 LYS HBx 1.0 2.5 4.5 376 255 A 44 LEU H A 43 LYS HBy 1.0 2.5 4.5 377 256 A 44 LEU H A 44 LEU HA 1.0 2.0 3.0 378 257 A 44 LEU H A 44 LEU HDx% 1.0 2.5 5.0 379 258 A 44 LEU H A 44 LEU HDy% 1.0 2.5 5.0 380 259 A 45 ALA H A 44 LEU HDy% 1.0 2.5 5.0 381 260 A 44 LEU H A 44 LEU HG 1.0 2.5 4.5 382 261 A 45 ALA H A 44 LEU HG 1.0 2.5 5.0 383 262 A 45 ALA H A 45 ALA HA 1.0 2.0 3.0 384 263 A 47 LYS H A 47 LYS HBx 1.0 1.8 3.5 385 263 A 47 LYS H A 47 LYS HBy 1.0 1.8 3.5 386 264 A 47 LYS H A 47 LYS HGx 1.0 2.5 4.5 387 264 A 47 LYS H A 47 LYS HGy 1.0 2.5 4.5 388 265 A 48 GLN H A 48 GLN HGx 1.0 2.5 4.5 389 265 A 48 GLN H A 48 GLN HGy 1.0 2.5 4.5 390 266 A 49 GLU H A 48 GLN HGx 1.0 2.5 5.0 391 266 A 49 GLU H A 48 GLN HGy 1.0 2.5 5.0 392 267 A 50 HIS H A 49 GLU HGx 1.0 2.5 5.0 393 267 A 49 GLU HGy A 50 HIS H 1.0 2.5 5.0 394 268 A 51 LEU H A 51 LEU HDx% 1.0 2.5 5.0 395 269 A 52 ASP H A 51 LEU HDx% 1.0 2.5 5.0 396 270 A 51 LEU H A 51 LEU HDy% 1.0 2.5 5.0 397 271 A 52 ASP H A 51 LEU HDy% 1.0 2.5 5.0 398 272 A 51 LEU H A 51 LEU HG 1.0 2.5 4.5 399 273 A 52 ASP H A 51 LEU HG 1.0 2.5 5.0 400 274 A 54 ALA H A 54 ALA HA 1.0 2.0 3.0 401 275 A 55 LEU H A 54 ALA HB% 1.0 2.5 4.5 402 276 A 56 ARG H A 55 LEU HA 1.0 3.0 4.0 403 277 A 55 LEU H A 55 LEU HBy 1.0 1.8 3.5 404 277 A 55 LEU H A 55 LEU HBx 1.0 1.8 3.5 405 278 A 56 ARG H A 55 LEU HBy 1.0 2.5 4.5 406 278 A 56 ARG H A 55 LEU HBx 1.0 2.5 4.5 407 279 A 56 ARG H A 55 LEU HG 1.0 2.5 5.0 408 280 A 56 ARG HA A 57 TYR H 1.0 3.0 4.0 409 281 A 56 ARG H A 56 ARG HBy 1.0 1.8 3.5 410 281 A 56 ARG H A 56 ARG HBx 1.0 1.8 3.5 411 282 A 57 TYR H A 56 ARG HDx 1.0 2.5 5.0 412 282 A 57 TYR H A 56 ARG HDy 1.0 2.5 5.0 413 283 A 57 TYR H A 56 ARG HGx 1.0 2.5 5.0 414 283 A 57 TYR H A 56 ARG HGy 1.0 2.5 5.0 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 5 ILE C A 6 GLN N A 6 GLN CA A 6 GLN C 1.0 -87.1 -47.1 PHI 2 2 A 6 GLN N A 6 GLN CA A 6 GLN C A 7 GLU N 1.0 -57.8 -17.8 PSI 3 3 A 6 GLN C A 7 GLU N A 7 GLU CA A 7 GLU C 1.0 -88.2 -48.2 PHI 4 4 A 7 GLU N A 7 GLU CA A 7 GLU C A 8 LYS N 1.0 -57.4 -17.4 PSI 5 5 A 7 GLU C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -85.6 -45.6 PHI 6 6 A 8 LYS N A 8 LYS CA A 8 LYS C A 9 GLU N 1.0 -57.9 -17.9 PSI 7 7 A 8 LYS C A 9 GLU N A 9 GLU CA A 9 GLU C 1.0 -86.6 -46.6 PHI 8 8 A 9 GLU N A 9 GLU CA A 9 GLU C A 10 GLN N 1.0 -57.1 -17.1 PSI 9 9 A 9 GLU C A 10 GLN N A 10 GLN CA A 10 GLN C 1.0 -88.4 -48.4 PHI 10 10 A 10 GLN N A 10 GLN CA A 10 GLN C A 11 GLU N 1.0 -56.6 -16.6 PSI 11 11 A 10 GLN C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -89.8 -49.8 PHI 12 12 A 11 GLU N A 11 GLU CA A 11 GLU C A 12 LEU N 1.0 -58.3 -18.3 PSI 13 13 A 11 GLU C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -88.5 -48.5 PHI 14 14 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 LYS N 1.0 -57.1 -17.1 PSI 15 15 A 12 LEU C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -87.3 -47.3 PHI 16 16 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 ASN N 1.0 -54.3 -14.3 PSI 17 17 A 15 LEU C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -87.9 -47.9 PHI 18 18 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 ASP N 1.0 -55.4 -15.4 PSI 19 19 A 16 LYS C A 17 ASP N A 17 ASP CA A 17 ASP C 1.0 -88.9 -48.9 PHI 20 20 A 17 ASP N A 17 ASP CA A 17 ASP C A 18 ASN N 1.0 -57.4 -17.4 PSI 21 21 A 17 ASP C A 18 ASN N A 18 ASN CA A 18 ASN C 1.0 -88.1 -48.1 PHI 22 22 A 18 ASN N A 18 ASN CA A 18 ASN C A 19 VAL N 1.0 -58.8 -18.8 PSI 23 23 A 18 ASN C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -88.0 -48.0 PHI 24 24 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 GLU N 1.0 -58.1 -18.1 PSI 25 25 A 19 VAL C A 20 GLU N A 20 GLU CA A 20 GLU C 1.0 -87.6 -47.6 PHI 26 26 A 20 GLU N A 20 GLU CA A 20 GLU C A 21 LEU N 1.0 -58.8 -18.8 PSI 27 27 A 20 GLU C A 21 LEU N A 21 LEU CA A 21 LEU C 1.0 -87.3 -47.3 PHI 28 28 A 21 LEU N A 21 LEU CA A 21 LEU C A 22 GLU N 1.0 -58.4 -18.4 PSI 29 29 A 21 LEU C A 22 GLU N A 22 GLU CA A 22 GLU C 1.0 -87.6 -47.6 PHI 30 30 A 22 GLU N A 22 GLU CA A 22 GLU C A 23 ARG N 1.0 -57.2 -17.2 PSI 31 31 A 22 GLU C A 23 ARG N A 23 ARG CA A 23 ARG C 1.0 -87.5 -47.5 PHI 32 32 A 23 ARG N A 23 ARG CA A 23 ARG C A 24 LEU N 1.0 -59.0 -19.0 PSI 33 33 A 23 ARG C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -89.6 -49.6 PHI 34 34 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 LYS N 1.0 -55.2 -15.2 PSI 35 35 A 24 LEU C A 25 LYS N A 25 LYS CA A 25 LYS C 1.0 -88.4 -48.4 PHI 36 36 A 25 LYS N A 25 LYS CA A 25 LYS C A 26 ASN N 1.0 -53.5 -13.5 PSI 37 37 A 25 LYS C A 26 ASN N A 26 ASN CA A 26 ASN C 1.0 -89.7 -49.7 PHI 38 38 A 26 ASN N A 26 ASN CA A 26 ASN C A 27 GLU N 1.0 -53.7 -13.7 PSI 39 39 A 26 ASN C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -91.3 -51.3 PHI 40 40 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 ARG N 1.0 -47.8 -7.8 PSI 41 41 A 31 HIS C A 32 ASP N A 32 ASP CA A 32 ASP C 1.0 -102.4 -46.6 PHI 42 42 A 32 ASP N A 32 ASP CA A 32 ASP C A 33 GLU N 1.0 -57.9 8.1 PSI 43 43 A 32 ASP C A 33 GLU N A 33 GLU CA A 33 GLU C 1.0 -86.8 -46.8 PHI 44 44 A 33 GLU N A 33 GLU CA A 33 GLU C A 34 GLU N 1.0 -56.8 -16.8 PSI 45 45 A 33 GLU C A 34 GLU N A 34 GLU CA A 34 GLU C 1.0 -92.0 -52.0 PHI 46 46 A 34 GLU N A 34 GLU CA A 34 GLU C A 35 ALA N 1.0 -55.5 -15.5 PSI 47 47 A 34 GLU C A 35 ALA N A 35 ALA CA A 35 ALA C 1.0 -87.3 -47.3 PHI 48 48 A 35 ALA N A 35 ALA CA A 35 ALA C A 36 GLU N 1.0 -59.5 -19.5 PSI 49 49 A 35 ALA C A 36 GLU N A 36 GLU CA A 36 GLU C 1.0 -85.6 -45.6 PHI 50 50 A 36 GLU N A 36 GLU CA A 36 GLU C A 37 ARG N 1.0 -57.8 -17.8 PSI 51 51 A 36 GLU C A 37 ARG N A 37 ARG CA A 37 ARG C 1.0 -87.4 -47.4 PHI 52 52 A 37 ARG N A 37 ARG CA A 37 ARG C A 38 LYS N 1.0 -57.8 -17.8 PSI 53 53 A 37 ARG C A 38 LYS N A 38 LYS CA A 38 LYS C 1.0 -87.1 -47.1 PHI 54 54 A 38 LYS N A 38 LYS CA A 38 LYS C A 39 ALA N 1.0 -59.9 -19.9 PSI 55 55 A 38 LYS C A 39 ALA N A 39 ALA CA A 39 ALA C 1.0 -85.3 -45.3 PHI 56 56 A 39 ALA N A 39 ALA CA A 39 ALA C A 40 LEU N 1.0 -57.9 -17.9 PSI 57 57 A 39 ALA C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -89.1 -49.1 PHI 58 58 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 GLU N 1.0 -58.1 -18.1 PSI 59 59 A 40 LEU C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -88.1 -48.1 PHI 60 60 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 ASP N 1.0 -56.0 -16.0 PSI 61 61 A 41 GLU C A 42 ASP N A 42 ASP CA A 42 ASP C 1.0 -89.3 -49.3 PHI 62 62 A 42 ASP N A 42 ASP CA A 42 ASP C A 43 LYS N 1.0 -55.7 -15.7 PSI 63 63 A 42 ASP C A 43 LYS N A 43 LYS CA A 43 LYS C 1.0 -87.0 -47.0 PHI 64 64 A 43 LYS N A 43 LYS CA A 43 LYS C A 44 LEU N 1.0 -56.9 -16.9 PSI 65 65 A 43 LYS C A 44 LEU N A 44 LEU CA A 44 LEU C 1.0 -90.3 -50.3 PHI 66 66 A 44 LEU N A 44 LEU CA A 44 LEU C A 45 ALA N 1.0 -53.2 -13.2 PSI 67 67 A 45 ALA C A 46 ASP N A 46 ASP CA A 46 ASP C 1.0 -92.2 -52.2 PHI 68 68 A 46 ASP N A 46 ASP CA A 46 ASP C A 47 LYS N 1.0 -45.5 -3.5 PSI 69 69 A 29 HIS C A 30 ASP N A 30 ASP CA A 30 ASP C 1.0 -100.5 -40.5 PHI 70 70 A 30 ASP N A 30 ASP CA A 30 ASP C A 31 HIS N 1.0 -58.8 10.4 PSI 71 71 A 30 ASP C A 31 HIS N A 31 HIS CA A 31 HIS C 1.0 -139.9 -36.5 PHI 72 72 A 31 HIS N A 31 HIS CA A 31 HIS C A 32 ASP N 1.0 -60.6 53.8 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 2 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 11 . . . . 2 ppm . . 22 . . . . stop_ save_