data_nef_c30389_6bzj 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 6BZJ 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 ALA middle . . 4 A 4 GLY middle . false 5 A 5 LEU middle . . 6 A 6 GLN middle . . 7 A 7 GLU middle . . 8 A 8 LYS middle . . 9 A 9 GLU middle . . 10 A 10 ARG middle . . 11 A 11 GLU middle . . 12 A 12 LEU middle . . 13 A 13 GLU middle . . 14 A 14 ASP middle . . 15 A 15 LEU middle . . 16 A 16 LYS middle . . 17 A 17 ASP middle . . 18 A 18 ALA middle . . 19 A 19 GLU middle . . 20 A 20 LEU middle . . 21 A 21 LYS middle . . 22 A 22 ARG middle . . 23 A 23 LEU middle . . 24 A 24 ASN middle . . 25 A 25 GLU middle . . 26 A 26 GLU middle . . 27 A 27 ARG middle . . 28 A 28 HIS middle . . 29 A 29 ASP middle . . 30 A 30 HIS middle . . 31 A 31 ASP middle . . 32 A 32 LYS middle . . 33 A 33 ARG 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 4.507 0.02 A 2 SER HBx H 1 3.885 0.02 A 2 SER HBy H 1 3.885 0.02 A 2 SER C C 13 174.310 0.20 A 2 SER CA C 13 58.330 0.20 A 2 SER CB C 13 63.850 0.20 A 3 ALA H H 1 8.554 0.02 A 3 ALA HA H 1 4.372 0.02 A 3 ALA HB% H 1 1.415 0.02 A 3 ALA C C 13 178.158 0.20 A 3 ALA CA C 13 52.820 0.20 A 3 ALA CB C 13 19.290 0.20 A 3 ALA N N 15 126.172 0.20 A 4 GLY H H 1 8.397 0.02 A 4 GLY HAx H 1 3.959 0.02 A 4 GLY HAy H 1 3.959 0.02 A 4 GLY C C 13 174.264 0.20 A 4 GLY CA C 13 45.310 0.20 A 4 GLY N N 15 108.146 0.20 A 5 LEU H H 1 8.113 0.02 A 5 LEU HA H 1 4.331 0.02 A 5 LEU HBx H 1 1.847 0.02 A 5 LEU HBy H 1 1.847 0.02 A 5 LEU HDx% H 1 0.905 0.02 A 5 LEU HDy% H 1 0.905 0.02 A 5 LEU HG H 1 1.630 0.02 A 5 LEU C C 13 177.735 0.20 A 5 LEU CA C 13 55.430 0.20 A 5 LEU CB C 13 42.310 0.20 A 5 LEU CDy C 13 24.800 0.20 A 5 LEU CDx C 13 23.640 0.20 A 5 LEU CG C 13 27.100 0.20 A 5 LEU N N 15 121.675 0.20 A 6 GLN H H 1 8.497 0.02 A 6 GLN HA H 1 4.308 0.02 A 6 GLN HBy H 1 2.145 0.02 A 6 GLN HBx H 1 2.029 0.02 A 6 GLN HGx H 1 2.385 0.02 A 6 GLN HGy H 1 2.385 0.02 A 6 GLN C C 13 176.415 0.20 A 6 GLN CA C 13 56.360 0.20 A 6 GLN CB C 13 29.220 0.20 A 6 GLN CG C 13 33.980 0.20 A 6 GLN N N 15 120.764 0.20 A 7 GLU H H 1 8.475 0.02 A 7 GLU HA H 1 4.214 0.02 A 7 GLU HBx H 1 2.026 0.02 A 7 GLU HBy H 1 2.026 0.02 A 7 GLU HGx H 1 2.287 0.02 A 7 GLU HGy H 1 2.287 0.02 A 7 GLU C C 13 177.074 0.20 A 7 GLU CA C 13 57.520 0.20 A 7 GLU CB C 13 30.120 0.20 A 7 GLU CG C 13 36.390 0.20 A 7 GLU N N 15 121.999 0.20 A 8 LYS H H 1 8.304 0.02 A 8 LYS HA H 1 4.261 0.02 A 8 LYS HBx H 1 1.843 0.02 A 8 LYS HBy H 1 1.843 0.02 A 8 LYS HDx H 1 1.704 0.02 A 8 LYS HDy H 1 1.704 0.02 A 8 LYS HGx H 1 1.459 0.02 A 8 LYS HGy H 1 1.459 0.02 A 8 LYS C C 13 177.247 0.20 A 8 LYS CA C 13 57.050 0.20 A 8 LYS CB C 13 32.730 0.20 A 8 LYS CD C 13 29.030 0.20 A 8 LYS CE C 13 42.150 0.20 A 8 LYS CG C 13 24.770 0.20 A 8 LYS N N 15 121.349 0.20 A 9 GLU H H 1 8.392 0.02 A 9 GLU HA H 1 4.165 0.02 A 9 GLU HBx H 1 2.057 0.02 A 9 GLU HBy H 1 2.057 0.02 A 9 GLU HGx H 1 2.306 0.02 A 9 GLU HGy H 1 2.306 0.02 A 9 GLU C C 13 177.315 0.20 A 9 GLU CA C 13 57.870 0.20 A 9 GLU CB C 13 30.060 0.20 A 9 GLU CG C 13 36.550 0.20 A 9 GLU N N 15 121.072 0.20 A 10 ARG H H 1 8.204 0.02 A 10 ARG HA H 1 4.250 0.02 A 10 ARG HBx H 1 1.873 0.02 A 10 ARG HBy H 1 1.873 0.02 A 10 ARG HDx H 1 3.219 0.02 A 10 ARG HDy H 1 3.219 0.02 A 10 ARG HGx H 1 1.669 0.02 A 10 ARG HGy H 1 1.669 0.02 A 10 ARG C C 13 176.850 0.20 A 10 ARG CA C 13 57.040 0.20 A 10 ARG CB C 13 30.590 0.20 A 10 ARG CD C 13 43.330 0.20 A 10 ARG CG C 13 27.120 0.20 A 10 ARG N N 15 120.952 0.20 A 11 GLU H H 1 8.322 0.02 A 11 GLU HA H 1 4.205 0.02 A 11 GLU HBx H 1 2.070 0.02 A 11 GLU HBy H 1 2.070 0.02 A 11 GLU HGx H 1 2.308 0.02 A 11 GLU HGy H 1 2.308 0.02 A 11 GLU C C 13 177.428 0.20 A 11 GLU CA C 13 57.700 0.20 A 11 GLU CB C 13 30.040 0.20 A 11 GLU CG C 13 36.410 0.20 A 11 GLU N N 15 121.030 0.20 A 12 LEU H H 1 8.128 0.02 A 12 LEU HA H 1 4.253 0.02 A 12 LEU HBx H 1 1.755 0.02 A 12 LEU HBy H 1 1.755 0.02 A 12 LEU HDx% H 1 0.921 0.02 A 12 LEU HDy% H 1 0.921 0.02 A 12 LEU HG H 1 1.618 0.02 A 12 LEU C C 13 178.392 0.20 A 12 LEU CA C 13 56.340 0.20 A 12 LEU CB C 13 42.060 0.20 A 12 LEU CDy C 13 24.930 0.20 A 12 LEU CDx C 13 23.690 0.20 A 12 LEU CG C 13 27.110 0.20 A 12 LEU N N 15 121.244 0.20 A 13 GLU H H 1 8.249 0.02 A 13 GLU HA H 1 4.164 0.02 A 13 GLU HBx H 1 2.048 0.02 A 13 GLU HBy H 1 2.048 0.02 A 13 GLU HGx H 1 2.304 0.02 A 13 GLU HGy H 1 2.304 0.02 A 13 GLU C C 13 177.162 0.20 A 13 GLU CA C 13 57.790 0.20 A 13 GLU CB C 13 30.130 0.20 A 13 GLU CG C 13 36.280 0.20 A 13 GLU N N 15 121.031 0.20 A 14 ASP H H 1 8.365 0.02 A 14 ASP HA H 1 4.548 0.02 A 14 ASP HBx H 1 2.724 0.02 A 14 ASP HBy H 1 2.724 0.02 A 14 ASP C C 13 177.568 0.20 A 14 ASP CA C 13 55.970 0.20 A 14 ASP CB C 13 40.780 0.20 A 14 ASP N N 15 120.919 0.20 A 15 LEU H H 1 8.085 0.02 A 15 LEU HA H 1 4.251 0.02 A 15 LEU HBx H 1 1.774 0.02 A 15 LEU HBy H 1 1.774 0.02 A 15 LEU HDx% H 1 0.919 0.02 A 15 LEU HDy% H 1 0.919 0.02 A 15 LEU HG H 1 1.638 0.02 A 15 LEU C C 13 178.668 0.20 A 15 LEU CA C 13 56.720 0.20 A 15 LEU CB C 13 42.090 0.20 A 15 LEU CDy C 13 25.130 0.20 A 15 LEU CDx C 13 23.700 0.20 A 15 LEU CG C 13 27.050 0.20 A 15 LEU N N 15 122.546 0.20 A 16 LYS H H 1 8.167 0.02 A 16 LYS HA H 1 4.186 0.02 A 16 LYS HBx H 1 1.910 0.02 A 16 LYS HBy H 1 1.910 0.02 A 16 LYS HDx H 1 1.757 0.02 A 16 LYS HDy H 1 1.757 0.02 A 16 LYS HEx H 1 2.968 0.02 A 16 LYS HEy H 1 2.968 0.02 A 16 LYS HGx H 1 1.485 0.02 A 16 LYS HGy H 1 1.485 0.02 A 16 LYS C C 13 178.045 0.20 A 16 LYS CA C 13 58.040 0.20 A 16 LYS CB C 13 32.320 0.20 A 16 LYS CD C 13 29.160 0.20 A 16 LYS CE C 13 42.140 0.20 A 16 LYS CG C 13 24.920 0.20 A 16 LYS N N 15 120.882 0.20 A 17 ASP H H 1 8.236 0.02 A 17 ASP HA H 1 4.496 0.02 A 17 ASP HBx H 1 2.735 0.02 A 17 ASP HBy H 1 2.735 0.02 A 17 ASP C C 13 177.664 0.20 A 17 ASP CA C 13 56.260 0.20 A 17 ASP CB C 13 41.160 0.20 A 17 ASP N N 15 120.271 0.20 A 18 ALA H H 1 8.162 0.02 A 18 ALA HA H 1 4.142 0.02 A 18 ALA HB% H 1 1.497 0.02 A 18 ALA C C 13 180.100 0.20 A 18 ALA CA C 13 54.480 0.20 A 18 ALA CB C 13 18.530 0.20 A 18 ALA N N 15 122.807 0.20 A 19 GLU H H 1 8.149 0.02 A 19 GLU HA H 1 4.200 0.02 A 19 GLU HBx H 1 2.112 0.02 A 19 GLU HBy H 1 2.112 0.02 A 19 GLU HGx H 1 2.304 0.02 A 19 GLU HGy H 1 2.304 0.02 A 19 GLU C C 13 178.100 0.20 A 19 GLU CA C 13 58.410 0.20 A 19 GLU CB C 13 29.680 0.20 A 19 GLU CG C 13 36.150 0.20 A 19 GLU N N 15 119.239 0.20 A 20 LEU H H 1 7.975 0.02 A 20 LEU HA H 1 4.144 0.02 A 20 LEU HBx H 1 1.800 0.02 A 20 LEU HBy H 1 1.800 0.02 A 20 LEU HDx% H 1 0.938 0.02 A 20 LEU HDy% H 1 0.938 0.02 A 20 LEU HG H 1 1.669 0.02 A 20 LEU C C 13 179.059 0.20 A 20 LEU CA C 13 57.320 0.20 A 20 LEU CB C 13 41.730 0.20 A 20 LEU CDy C 13 24.860 0.20 A 20 LEU CDx C 13 23.910 0.20 A 20 LEU CG C 13 27.050 0.20 A 20 LEU N N 15 120.695 0.20 A 21 LYS H H 1 8.015 0.02 A 21 LYS HA H 1 4.114 0.02 A 21 LYS HBx H 1 1.887 0.02 A 21 LYS HBy H 1 1.887 0.02 A 21 LYS HDx H 1 1.543 0.02 A 21 LYS HDy H 1 1.543 0.02 A 21 LYS HEx H 1 2.987 0.02 A 21 LYS HEy H 1 2.987 0.02 A 21 LYS HGx H 1 1.411 0.02 A 21 LYS HGy H 1 1.411 0.02 A 21 LYS C C 13 178.312 0.20 A 21 LYS CA C 13 58.770 0.20 A 21 LYS CB C 13 32.640 0.20 A 21 LYS CD C 13 29.410 0.20 A 21 LYS CE C 13 42.250 0.20 A 21 LYS CG C 13 25.440 0.20 A 21 LYS N N 15 119.562 0.20 A 22 ARG H H 1 7.887 0.02 A 22 ARG HA H 1 4.165 0.02 A 22 ARG HBx H 1 1.920 0.02 A 22 ARG HBy H 1 1.920 0.02 A 22 ARG HDx H 1 3.224 0.02 A 22 ARG HDy H 1 3.224 0.02 A 22 ARG HGx H 1 1.618 0.02 A 22 ARG HGy H 1 1.618 0.02 A 22 ARG C C 13 178.150 0.20 A 22 ARG CA C 13 58.280 0.20 A 22 ARG CB C 13 30.250 0.20 A 22 ARG CD C 13 43.380 0.20 A 22 ARG CG C 13 27.380 0.20 A 22 ARG N N 15 120.110 0.20 A 23 LEU H H 1 8.197 0.02 A 23 LEU HA H 1 4.163 0.02 A 23 LEU HBx H 1 1.791 0.02 A 23 LEU HBy H 1 1.791 0.02 A 23 LEU HDx% H 1 0.905 0.02 A 23 LEU HDy% H 1 0.905 0.02 A 23 LEU HG H 1 1.602 0.02 A 23 LEU C C 13 178.905 0.20 A 23 LEU CA C 13 57.090 0.20 A 23 LEU CB C 13 42.080 0.20 A 23 LEU CDy C 13 25.070 0.20 A 23 LEU CDx C 13 23.770 0.20 A 23 LEU CG C 13 27.050 0.20 A 23 LEU N N 15 120.689 0.20 A 24 ASN H H 1 8.249 0.02 A 24 ASN HA H 1 4.569 0.02 A 24 ASN HBx H 1 2.857 0.02 A 24 ASN HBy H 1 2.857 0.02 A 24 ASN C C 13 176.800 0.20 A 24 ASN CA C 13 54.970 0.20 A 24 ASN CB C 13 38.610 0.20 A 24 ASN N N 15 117.970 0.20 A 25 GLU H H 1 8.173 0.02 A 25 GLU HA H 1 4.188 0.02 A 25 GLU HBx H 1 2.107 0.02 A 25 GLU HBy H 1 2.107 0.02 A 25 GLU HGy H 1 2.403 0.02 A 25 GLU HGx H 1 2.319 0.02 A 25 GLU C C 13 177.800 0.20 A 25 GLU CA C 13 58.160 0.20 A 25 GLU CB C 13 30.180 0.20 A 25 GLU CG C 13 36.470 0.20 A 25 GLU N N 15 120.990 0.20 A 26 GLU H H 1 8.292 0.02 A 26 GLU HA H 1 4.196 0.02 A 26 GLU HBx H 1 2.069 0.02 A 26 GLU HBy H 1 2.069 0.02 A 26 GLU HGy H 1 2.399 0.02 A 26 GLU HGx H 1 2.241 0.02 A 26 GLU C C 13 177.800 0.20 A 26 GLU CA C 13 58.000 0.20 A 26 GLU CB C 13 29.990 0.20 A 26 GLU CG C 13 36.540 0.20 A 26 GLU N N 15 120.868 0.20 A 27 ARG H H 1 8.131 0.02 A 27 ARG HA H 1 4.228 0.02 A 27 ARG HBx H 1 1.874 0.02 A 27 ARG HBy H 1 1.874 0.02 A 27 ARG HDx H 1 3.196 0.02 A 27 ARG HDy H 1 3.196 0.02 A 27 ARG HGx H 1 1.653 0.02 A 27 ARG HGy H 1 1.653 0.02 A 27 ARG C C 13 177.166 0.20 A 27 ARG CA C 13 57.500 0.20 A 27 ARG CB C 13 30.400 0.20 A 27 ARG CD C 13 43.390 0.20 A 27 ARG CG C 13 27.240 0.20 A 27 ARG N N 15 120.674 0.20 A 28 HIS H H 1 8.307 0.02 A 28 HIS HA H 1 4.594 0.02 A 28 HIS HBx H 1 3.257 0.02 A 28 HIS HBy H 1 3.257 0.02 A 28 HIS C C 13 176.006 0.20 A 28 HIS CA C 13 57.230 0.20 A 28 HIS CB C 13 29.430 0.20 A 28 HIS N N 15 118.902 0.20 A 29 ASP H H 1 8.385 0.02 A 29 ASP HA H 1 4.517 0.02 A 29 ASP HBx H 1 2.705 0.02 A 29 ASP HBy H 1 2.705 0.02 A 29 ASP C C 13 177.118 0.20 A 29 ASP CA C 13 55.660 0.20 A 29 ASP CB C 13 40.930 0.20 A 29 ASP N N 15 120.486 0.20 A 30 HIS H H 1 8.368 0.02 A 30 HIS HA H 1 4.404 0.02 A 30 HIS HBx H 1 3.288 0.02 A 30 HIS HBy H 1 3.288 0.02 A 30 HIS C C 13 176.155 0.20 A 30 HIS CA C 13 58.160 0.20 A 30 HIS CB C 13 29.570 0.20 A 30 HIS N N 15 119.181 0.20 A 31 ASP H H 1 8.458 0.02 A 31 ASP HA H 1 4.452 0.02 A 31 ASP HBx H 1 2.740 0.02 A 31 ASP HBy H 1 2.740 0.02 A 31 ASP C C 13 177.925 0.20 A 31 ASP CA C 13 56.020 0.20 A 31 ASP CB C 13 40.460 0.20 A 31 ASP N N 15 120.440 0.20 A 32 LYS H H 1 8.207 0.02 A 32 LYS HA H 1 4.171 0.02 A 32 LYS HBx H 1 1.867 0.02 A 32 LYS HBy H 1 1.867 0.02 A 32 LYS HGx H 1 1.437 0.02 A 32 LYS HGy H 1 1.437 0.02 A 32 LYS C C 13 177.952 0.20 A 32 LYS CA C 13 58.280 0.20 A 32 LYS CB C 13 32.590 0.20 A 32 LYS CG C 13 24.930 0.20 A 32 LYS N N 15 122.388 0.20 A 33 ARG H H 1 8.178 0.02 A 33 ARG HA H 1 4.185 0.02 A 33 ARG HBx H 1 1.897 0.02 A 33 ARG HBy H 1 1.897 0.02 A 33 ARG HDx H 1 3.208 0.02 A 33 ARG HDy H 1 3.208 0.02 A 33 ARG HGx H 1 1.691 0.02 A 33 ARG HGy H 1 1.691 0.02 A 33 ARG C C 13 178.647 0.20 A 33 ARG CA C 13 58.150 0.20 A 33 ARG CB C 13 30.200 0.20 A 33 ARG CD C 13 43.440 0.20 A 33 ARG CG C 13 27.650 0.20 A 33 ARG N N 15 120.121 0.20 A 34 GLU H H 1 8.285 0.02 A 34 GLU HA H 1 4.162 0.02 A 34 GLU HBx H 1 2.016 0.02 A 34 GLU HBy H 1 2.016 0.02 A 34 GLU HGx H 1 2.210 0.02 A 34 GLU HGy H 1 2.210 0.02 A 34 GLU C C 13 177.850 0.20 A 34 GLU CA C 13 58.180 0.20 A 34 GLU CB C 13 29.720 0.20 A 34 GLU CG C 13 36.190 0.20 A 34 GLU N N 15 120.696 0.20 A 35 ALA H H 1 8.094 0.02 A 35 ALA C C 13 180.053 0.20 A 35 ALA CA C 13 54.290 0.20 A 35 ALA CB C 13 18.420 0.20 A 35 ALA N N 15 122.701 0.20 A 36 GLU HA H 1 4.122 0.02 A 36 GLU HBx H 1 2.079 0.02 A 36 GLU HBy H 1 2.079 0.02 A 36 GLU HGy H 1 2.429 0.02 A 36 GLU HGx H 1 2.253 0.02 A 36 GLU C C 13 178.100 0.20 A 36 GLU CA C 13 58.280 0.20 A 36 GLU CB C 13 29.860 0.20 A 36 GLU CG C 13 36.540 0.20 A 37 ARG H H 1 8.056 0.02 A 37 ARG HA H 1 4.167 0.02 A 37 ARG HBx H 1 1.926 0.02 A 37 ARG HBy H 1 1.926 0.02 A 37 ARG HDx H 1 3.225 0.02 A 37 ARG HDy H 1 3.225 0.02 A 37 ARG HGx H 1 1.624 0.02 A 37 ARG HGy H 1 1.624 0.02 A 37 ARG C C 13 178.100 0.20 A 37 ARG CA C 13 58.200 0.20 A 37 ARG CB C 13 30.160 0.20 A 37 ARG CD C 13 43.370 0.20 A 37 ARG CG C 13 27.340 0.20 A 37 ARG N N 15 121.090 0.20 A 38 LYS H H 1 8.201 0.02 A 38 LYS HA H 1 4.113 0.02 A 38 LYS HBx H 1 1.860 0.02 A 38 LYS HBy H 1 1.860 0.02 A 38 LYS HEx H 1 2.998 0.02 A 38 LYS HEy H 1 2.998 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 13 177.514 0.20 A 38 LYS CA C 13 58.000 0.20 A 38 LYS CB C 13 32.580 0.20 A 38 LYS CD C 13 29.030 0.20 A 38 LYS CE C 13 42.030 0.20 A 38 LYS CG C 13 25.100 0.20 A 38 LYS N N 15 120.813 0.20 A 39 ALA H H 1 7.971 0.02 A 39 ALA HA H 1 4.240 0.02 A 39 ALA HB% H 1 1.467 0.02 A 39 ALA C C 13 179.319 0.20 A 39 ALA CA C 13 53.880 0.20 A 39 ALA CB C 13 18.560 0.20 A 39 ALA N N 15 121.968 0.20 A 40 LEU H H 1 7.831 0.02 A 40 LEU HA H 1 4.235 0.02 A 40 LEU HBx H 1 1.728 0.02 A 40 LEU HBy H 1 1.728 0.02 A 40 LEU HDx% H 1 0.925 0.02 A 40 LEU HDy% H 1 0.925 0.02 A 40 LEU C C 13 178.469 0.20 A 40 LEU CA C 13 56.700 0.20 A 40 LEU CB C 13 42.160 0.20 A 40 LEU CDx C 13 23.800 0.20 A 40 LEU CDy C 13 24.780 0.20 A 40 LEU CG C 13 26.970 0.20 A 40 LEU N N 15 119.475 0.20 A 41 GLU H H 1 8.141 0.02 A 41 GLU HA H 1 4.121 0.02 A 41 GLU HBx H 1 2.079 0.02 A 41 GLU HBy H 1 2.079 0.02 A 41 GLU HGy H 1 2.393 0.02 A 41 GLU HGx H 1 2.253 0.02 A 41 GLU C C 13 177.802 0.20 A 41 GLU CA C 13 58.020 0.20 A 41 GLU CB C 13 30.040 0.20 A 41 GLU CG C 13 36.570 0.20 A 41 GLU N N 15 120.044 0.20 A 42 ASP H H 1 8.319 0.02 A 42 ASP HA H 1 4.536 0.02 A 42 ASP HBx H 1 2.703 0.02 A 42 ASP HBy H 1 2.703 0.02 A 42 ASP C C 13 177.156 0.20 A 42 ASP CA C 13 55.970 0.20 A 42 ASP CB C 13 40.770 0.20 A 42 ASP N N 15 120.591 0.20 A 43 LYS H H 1 7.978 0.02 A 43 LYS HA H 1 4.273 0.02 A 43 LYS HBx H 1 1.900 0.02 A 43 LYS HBy H 1 1.900 0.02 A 43 LYS HEx H 1 2.955 0.02 A 43 LYS HEy H 1 2.955 0.02 A 43 LYS HGx H 1 1.480 0.02 A 43 LYS HGy H 1 1.480 0.02 A 43 LYS C C 13 177.483 0.20 A 43 LYS CA C 13 57.200 0.20 A 43 LYS CB C 13 32.620 0.20 A 43 LYS CD C 13 29.220 0.20 A 43 LYS CE C 13 40.940 0.20 A 43 LYS CG C 13 24.930 0.20 A 43 LYS N N 15 120.750 0.20 A 44 LEU H H 1 8.081 0.02 A 44 LEU HA H 1 4.269 0.02 A 44 LEU HBx H 1 1.746 0.02 A 44 LEU HBy H 1 1.746 0.02 A 44 LEU HDx% H 1 0.909 0.02 A 44 LEU HDy% H 1 0.909 0.02 A 44 LEU HG H 1 1.603 0.02 A 44 LEU C C 13 177.737 0.20 A 44 LEU CA C 13 55.710 0.20 A 44 LEU CB C 13 42.020 0.20 A 44 LEU CDy C 13 25.120 0.20 A 44 LEU CDx C 13 23.410 0.20 A 44 LEU CG C 13 26.990 0.20 A 44 LEU N N 15 121.225 0.20 A 45 ALA H H 1 7.976 0.02 A 45 ALA HA H 1 4.257 0.02 A 45 ALA HB% H 1 1.435 0.02 A 45 ALA C C 13 177.763 0.20 A 45 ALA CA C 13 52.920 0.20 A 45 ALA CB C 13 19.180 0.20 A 45 ALA N N 15 123.162 0.20 A 46 ASP H H 1 8.113 0.02 A 46 ASP HA H 1 4.559 0.02 A 46 ASP HBx H 1 2.700 0.02 A 46 ASP HBy H 1 2.700 0.02 A 46 ASP C C 13 176.462 0.20 A 46 ASP CA C 13 55.230 0.20 A 46 ASP CB C 13 41.100 0.20 A 46 ASP N N 15 118.985 0.20 A 47 LYS H H 1 8.157 0.02 A 47 LYS HA H 1 4.295 0.02 A 47 LYS HBx H 1 1.888 0.02 A 47 LYS HBy H 1 1.888 0.02 A 47 LYS HDx H 1 1.789 0.02 A 47 LYS HDy H 1 1.789 0.02 A 47 LYS HEx H 1 2.969 0.02 A 47 LYS HEy H 1 2.969 0.02 A 47 LYS HGx H 1 1.436 0.02 A 47 LYS HGy H 1 1.436 0.02 A 47 LYS C C 13 176.700 0.20 A 47 LYS CA C 13 56.420 0.20 A 47 LYS CB C 13 32.720 0.20 A 47 LYS CD C 13 29.240 0.20 A 47 LYS CG C 13 24.720 0.20 A 47 LYS N N 15 121.026 0.20 A 48 GLN H H 1 8.315 0.02 A 48 GLN HA H 1 4.269 0.02 A 48 GLN HBx H 1 2.020 0.02 A 48 GLN HBy H 1 2.020 0.02 A 48 GLN HGx H 1 2.341 0.02 A 48 GLN HGy H 1 2.341 0.02 A 48 GLN C C 13 175.959 0.20 A 48 GLN CA C 13 55.960 0.20 A 48 GLN CB C 13 29.430 0.20 A 48 GLN CG C 13 33.920 0.20 A 48 GLN N N 15 120.539 0.20 A 49 GLU H H 1 8.394 0.02 A 49 GLU HA H 1 4.207 0.02 A 49 GLU HBx H 1 1.910 0.02 A 49 GLU HBy H 1 1.910 0.02 A 49 GLU HGx H 1 2.185 0.02 A 49 GLU HGy H 1 2.185 0.02 A 49 GLU C C 13 176.207 0.20 A 49 GLU CA C 13 56.770 0.20 A 49 GLU CB C 13 30.510 0.20 A 49 GLU CG C 13 36.270 0.20 A 49 GLU N N 15 121.457 0.20 A 50 HIS H H 1 8.480 0.02 A 50 HIS HA H 1 4.679 0.02 A 50 HIS HBy H 1 3.195 0.02 A 50 HIS HBx H 1 3.136 0.02 A 50 HIS C C 13 174.654 0.20 A 50 HIS CA C 13 55.370 0.20 A 50 HIS CB C 13 29.510 0.20 A 50 HIS N N 15 119.512 0.20 A 51 LEU H H 1 8.303 0.02 A 51 LEU HA H 1 4.357 0.02 A 51 LEU HBx H 1 1.813 0.02 A 51 LEU HBy H 1 1.813 0.02 A 51 LEU HDx% H 1 0.871 0.02 A 51 LEU HDy% H 1 0.871 0.02 A 51 LEU HG H 1 1.588 0.02 A 51 LEU C C 13 177.093 0.20 A 51 LEU CA C 13 55.120 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 26.980 0.20 A 51 LEU N N 15 123.849 0.20 A 52 ASP H H 1 8.420 0.02 A 52 ASP HA H 1 4.560 0.02 A 52 ASP HBx H 1 2.681 0.02 A 52 ASP HBy H 1 2.681 0.02 A 52 ASP C C 13 176.895 0.20 A 52 ASP CA C 13 55.020 0.20 A 52 ASP CB C 13 41.260 0.20 A 52 ASP N N 15 121.139 0.20 A 53 GLY H H 1 8.351 0.02 A 53 GLY HAx H 1 3.925 0.02 A 53 GLY HAy H 1 3.925 0.02 A 53 GLY C C 13 174.095 0.20 A 53 GLY CA C 13 45.640 0.20 A 53 GLY N N 15 109.633 0.20 A 54 ALA H H 1 8.071 0.02 A 54 ALA HA H 1 4.283 0.02 A 54 ALA HB% H 1 1.374 0.02 A 54 ALA C C 13 177.632 0.20 A 54 ALA CA C 13 52.550 0.20 A 54 ALA CB C 13 19.350 0.20 A 54 ALA N N 15 123.267 0.20 A 55 LEU H H 1 8.083 0.02 A 55 LEU HA H 1 4.277 0.02 A 55 LEU HBx H 1 1.611 0.02 A 55 LEU HBy H 1 1.611 0.02 A 55 LEU HDx% H 1 0.888 0.02 A 55 LEU HDy% H 1 0.888 0.02 A 55 LEU HG H 1 1.469 0.02 A 55 LEU C C 13 176.857 0.20 A 55 LEU CA C 13 55.080 0.20 A 55 LEU CB C 13 42.160 0.20 A 55 LEU CDx C 13 23.630 0.20 A 55 LEU CDy C 13 24.820 0.20 A 55 LEU CG C 13 27.000 0.20 A 55 LEU N N 15 120.725 0.20 A 56 ARG H H 1 8.083 0.02 A 56 ARG HA H 1 4.312 0.02 A 56 ARG HBx H 1 1.786 0.02 A 56 ARG HBy H 1 1.786 0.02 A 56 ARG HDx H 1 3.145 0.02 A 56 ARG HDy H 1 3.145 0.02 A 56 ARG HGy H 1 1.642 0.02 A 56 ARG HGx H 1 1.527 0.02 A 56 ARG C C 13 174.729 0.20 A 56 ARG CA C 13 55.580 0.20 A 56 ARG CB C 13 31.070 0.20 A 56 ARG CD C 13 43.260 0.20 A 56 ARG CG C 13 27.020 0.20 A 56 ARG N N 15 121.877 0.20 A 57 TYR H H 1 7.698 0.02 A 57 TYR C C 13 180.400 0.20 A 57 TYR CA C 13 59.050 0.02 A 57 TYR CB C 13 39.560 0.20 A 57 TYR N N 15 126.059 0.20 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 noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 6 GLN H A 5 LEU HA 1.0 3.0 4.0 2 2 A 8 LYS H A 7 GLU HA 1.0 3.0 4.0 3 3 A 9 GLU H A 8 LYS HA 1.0 3.0 4.0 4 4 A 10 ARG H A 9 GLU HA 1.0 3.0 4.0 5 5 A 9 GLU H A 9 GLU HBx 1.0 1.8 3.5 6 5 A 9 GLU H A 9 GLU HBy 1.0 1.8 3.5 7 6 A 11 GLU H A 10 ARG HA 1.0 3.0 4.0 8 7 A 10 ARG H A 10 ARG HBx 1.0 1.8 3.5 9 7 A 10 ARG H A 10 ARG HBy 1.0 1.8 3.5 10 8 A 12 LEU H A 11 GLU HA 1.0 3.0 4.0 11 9 A 11 GLU H A 11 GLU HBx 1.0 1.8 3.5 12 9 A 11 GLU H A 11 GLU HBy 1.0 1.8 3.5 13 10 A 13 GLU H A 12 LEU HA 1.0 3.0 4.0 14 11 A 12 LEU H A 12 LEU HBx 1.0 1.8 3.5 15 11 A 12 LEU H A 12 LEU HBy 1.0 1.8 3.5 16 12 A 14 ASP H A 13 GLU HA 1.0 3.0 4.0 17 13 A 13 GLU H A 13 GLU HBx 1.0 1.8 3.5 18 13 A 13 GLU H A 13 GLU HBy 1.0 1.8 3.5 19 14 A 13 GLU H A 14 ASP H 1.0 2.3 3.3 20 15 A 14 ASP H A 14 ASP HBx 1.0 1.8 3.5 21 15 A 14 ASP H A 14 ASP HBy 1.0 1.8 3.5 22 16 A 15 LEU H A 15 LEU HA 1.0 2.0 3.0 23 17 A 15 LEU H A 15 LEU HBx 1.0 1.8 3.5 24 17 A 15 LEU H A 15 LEU HBy 1.0 1.8 3.5 25 18 A 16 LYS H A 16 LYS HA 1.0 2.0 3.0 26 19 A 16 LYS H A 16 LYS HBx 1.0 1.8 3.5 27 19 A 16 LYS H A 16 LYS HBy 1.0 1.8 3.5 28 20 A 17 ASP H A 17 ASP HA 1.0 2.0 3.0 29 21 A 17 ASP H A 17 ASP HBx 1.0 1.8 3.5 30 21 A 17 ASP H A 17 ASP HBy 1.0 1.8 3.5 31 22 A 19 GLU H A 18 ALA HA 1.0 3.0 4.0 32 23 A 18 ALA H A 18 ALA HB% 1.0 1.8 3.5 33 24 A 18 ALA H A 18 ALA HB% 1.0 1.8 3.5 34 25 A 20 LEU H A 19 GLU HA 1.0 3.0 4.0 35 26 A 19 GLU H A 19 GLU HBx 1.0 1.8 3.5 36 26 A 19 GLU H A 19 GLU HBy 1.0 1.8 3.5 37 27 A 21 LYS H A 20 LEU HA 1.0 3.0 4.0 38 28 A 21 LYS H A 21 LYS HBx 1.0 1.8 3.5 39 28 A 21 LYS H A 21 LYS HBy 1.0 1.8 3.5 40 29 A 22 ARG H A 22 ARG HA 1.0 2.0 3.0 41 30 A 22 ARG HA A 23 LEU H 1.0 3.0 4.0 42 31 A 22 ARG H A 22 ARG HBx 1.0 1.8 3.5 43 31 A 22 ARG H A 22 ARG HBy 1.0 1.8 3.5 44 32 A 26 GLU H A 25 GLU HA 1.0 3.0 4.0 45 33 A 25 GLU H A 25 GLU HBx 1.0 1.8 3.5 46 33 A 25 GLU H A 25 GLU HBy 1.0 1.8 3.5 47 34 A 27 ARG H A 26 GLU HA 1.0 3.0 4.0 48 35 A 26 GLU H A 26 GLU HBx 1.0 1.8 3.5 49 35 A 26 GLU H A 26 GLU HBy 1.0 1.8 3.5 50 36 A 33 ARG H A 33 ARG HA 1.0 2.0 3.0 51 37 A 33 ARG HA A 34 GLU H 1.0 3.0 4.0 52 38 A 33 ARG H A 33 ARG HBx 1.0 1.8 3.5 53 38 A 33 ARG H A 33 ARG HBy 1.0 1.8 3.5 54 39 A 34 GLU H A 34 GLU HBx 1.0 1.8 3.5 55 39 A 34 GLU H A 34 GLU HBy 1.0 1.8 3.5 56 40 A 35 ALA H A 35 ALA HA 1.0 2.0 3.0 57 41 A 35 ALA H A 35 ALA HB1 1.0 1.8 3.5 58 42 A 37 ARG H A 36 GLU HA 1.0 3.0 4.0 59 43 A 38 LYS H A 37 ARG HA 1.0 3.0 4.0 60 44 A 37 ARG H A 37 ARG HBx 1.0 1.8 3.5 61 44 A 37 ARG H A 37 ARG HBy 1.0 1.8 3.5 62 45 A 38 LYS H A 38 LYS HBx 1.0 1.8 3.5 63 45 A 38 LYS H A 38 LYS HBy 1.0 1.8 3.5 64 46 A 39 ALA H A 38 LYS HGx 1.0 2.5 5.0 65 46 A 39 ALA H A 38 LYS HGy 1.0 2.5 5.0 66 47 A 40 LEU H A 40 LEU HBx 1.0 1.8 3.5 67 47 A 40 LEU H A 40 LEU HBy 1.0 1.8 3.5 68 48 A 42 ASP H A 41 GLU HBx 1.0 2.5 4.5 69 48 A 42 ASP H A 41 GLU HBy 1.0 2.5 4.5 70 49 A 42 ASP H A 42 ASP HBx 1.0 1.8 3.5 71 49 A 42 ASP H A 42 ASP HBy 1.0 1.8 3.5 72 50 A 44 LEU H A 44 LEU HA 1.0 2.0 3.0 73 51 A 44 LEU HA A 45 ALA H 1.0 3.0 4.0 74 52 A 44 LEU H A 44 LEU HBx 1.0 1.8 3.5 75 52 A 44 LEU H A 44 LEU HBy 1.0 1.8 3.5 76 53 A 45 ALA H A 45 ALA HB% 1.0 1.8 3.5 77 54 A 49 GLU H A 48 GLN HA 1.0 3.0 4.0 78 55 A 5 LEU H A 4 GLY HAx 1.0 3.0 4.0 79 55 A 5 LEU H A 4 GLY HAy 1.0 3.0 4.0 80 56 A 5 LEU H A 5 LEU HG 1.0 2.5 4.5 81 57 A 7 GLU H A 6 GLN HA 1.0 3.0 4.0 82 58 A 7 GLU H A 7 GLU HBx 1.0 1.8 3.5 83 58 A 7 GLU H A 7 GLU HBy 1.0 1.8 3.5 84 59 A 8 LYS H A 7 GLU HBx 1.0 2.5 4.5 85 59 A 8 LYS H A 7 GLU HBy 1.0 2.5 4.5 86 60 A 8 LYS H A 8 LYS HBx 1.0 1.8 3.5 87 60 A 8 LYS H A 8 LYS HBy 1.0 1.8 3.5 88 61 A 9 GLU H A 9 GLU HGx 1.0 2.5 4.5 89 61 A 9 GLU H A 9 GLU HGy 1.0 2.5 4.5 90 62 A 12 LEU H A 11 GLU HBx 1.0 2.5 4.5 91 62 A 12 LEU H A 11 GLU HBy 1.0 2.5 4.5 92 63 A 11 GLU H A 11 GLU HGx 1.0 2.5 4.5 93 63 A 11 GLU H A 11 GLU HGy 1.0 2.5 4.5 94 64 A 14 ASP H A 13 GLU HBx 1.0 2.5 4.5 95 64 A 14 ASP H A 13 GLU HBy 1.0 2.5 4.5 96 65 A 13 GLU H A 13 GLU HGx 1.0 2.5 4.5 97 65 A 13 GLU H A 13 GLU HGy 1.0 2.5 4.5 98 66 A 14 ASP H A 14 ASP HA 1.0 2.0 3.0 99 67 A 15 LEU H A 14 ASP HA 1.0 3.0 4.0 100 68 A 15 LEU H A 14 ASP HBx 1.0 2.5 4.5 101 68 A 14 ASP HBy A 15 LEU H 1.0 2.5 4.5 102 69 A 16 LYS HA A 17 ASP H 1.0 3.0 4.0 103 70 A 17 ASP H A 16 LYS HBx 1.0 2.5 4.5 104 70 A 16 LYS HBy A 17 ASP H 1.0 2.5 4.5 105 71 A 17 ASP HA A 18 ALA H 1.0 3.0 4.0 106 72 A 18 ALA H A 17 ASP HBx 1.0 2.5 4.5 107 72 A 17 ASP HBy A 18 ALA H 1.0 2.5 4.5 108 73 A 18 ALA HA A 18 ALA H 1.0 2.0 3.0 109 74 A 20 LEU H A 19 GLU HBx 1.0 2.5 4.5 110 74 A 20 LEU H A 19 GLU HBy 1.0 2.5 4.5 111 75 A 19 GLU H A 21 LYS H 1.0 2.2 5.0 112 76 A 20 LEU H A 20 LEU HBx 1.0 1.8 3.5 113 76 A 20 LEU H A 20 LEU HBy 1.0 1.8 3.5 114 77 A 21 LYS H A 22 ARG H 1.0 2.3 3.3 115 78 A 23 LEU H A 22 ARG HGx 1.0 2.5 5.0 116 78 A 23 LEU H A 22 ARG HGy 1.0 2.5 5.0 117 79 A 24 ASN H A 23 LEU HA 1.0 3.0 4.0 118 80 A 24 ASN H A 24 ASN HA 1.0 2.0 3.0 119 81 A 24 ASN H A 24 ASN HBx 1.0 1.8 3.5 120 81 A 24 ASN H A 24 ASN HBy 1.0 1.8 3.5 121 82 A 25 GLU H A 24 ASN HBx 1.0 2.5 4.5 122 82 A 25 GLU H A 24 ASN HBy 1.0 2.5 4.5 123 83 A 26 GLU H A 26 GLU HGy 1.0 2.5 4.5 124 84 A 27 ARG H A 27 ARG HBx 1.0 1.8 3.5 125 84 A 27 ARG H A 27 ARG HBy 1.0 1.8 3.5 126 85 A 31 ASP H A 30 HIS HBx 1.0 2.5 4.5 127 85 A 31 ASP H A 30 HIS HBy 1.0 2.5 4.5 128 86 A 31 ASP H A 31 ASP HA 1.0 2.0 3.0 129 87 A 31 ASP HA A 32 LYS H 1.0 3.0 4.0 130 88 A 31 ASP H A 31 ASP HBx 1.0 1.8 3.5 131 88 A 31 ASP H A 31 ASP HBy 1.0 1.8 3.5 132 89 A 32 LYS H A 31 ASP HBx 1.0 2.5 4.5 133 89 A 32 LYS H A 31 ASP HBy 1.0 2.5 4.5 134 90 A 32 LYS H A 32 LYS HA 1.0 2.0 3.0 135 91 A 32 LYS H A 32 LYS HBx 1.0 1.8 3.5 136 91 A 32 LYS H A 32 LYS HBy 1.0 1.8 3.5 137 92 A 34 GLU H A 33 ARG HBx 1.0 2.5 4.5 138 92 A 34 GLU H A 33 ARG HBy 1.0 2.5 4.5 139 93 A 33 ARG H A 33 ARG HGx 1.0 2.5 4.5 140 93 A 33 ARG H A 33 ARG HGy 1.0 2.5 4.5 141 94 A 35 ALA H A 34 GLU HBx 1.0 2.5 4.5 142 94 A 34 GLU HBy A 35 ALA H 1.0 2.5 4.5 143 95 A 34 GLU H A 34 GLU HGx 1.0 2.5 4.5 144 95 A 34 GLU H A 34 GLU HGy 1.0 2.5 4.5 145 96 A 37 ARG H A 36 GLU HBx 1.0 2.5 4.5 146 96 A 37 ARG H A 36 GLU HBy 1.0 2.5 4.5 147 97 A 39 ALA H A 38 LYS HA 1.0 3.0 4.0 148 98 A 39 ALA H A 38 LYS HBx 1.0 2.5 4.5 149 98 A 38 LYS HBy A 39 ALA H 1.0 2.5 4.5 150 99 A 39 ALA H A 39 ALA HA 1.0 2.0 3.0 151 100 A 40 LEU H A 39 ALA HA 1.0 3.0 4.0 152 101 A 40 LEU H A 39 ALA HB% 1.0 2.5 4.5 153 102 A 40 LEU H A 41 GLU H 1.0 2.3 3.3 154 103 A 41 GLU H A 41 GLU HA 1.0 2.0 3.0 155 104 A 42 ASP H A 41 GLU HA 1.0 3.0 4.0 156 105 A 41 GLU H A 41 GLU HBx 1.0 1.8 3.5 157 105 A 41 GLU HBy A 41 GLU H 1.0 1.8 3.5 158 106 A 42 ASP H A 42 ASP HA 1.0 2.0 3.0 159 107 A 42 ASP HA A 43 LYS H 1.0 3.0 4.0 160 108 A 43 LYS H A 42 ASP HBx 1.0 2.5 4.5 161 108 A 42 ASP HBy A 43 LYS H 1.0 2.5 4.5 162 109 A 46 ASP H A 45 ALA HA 1.0 3.0 4.0 163 110 A 45 ALA HB% A 46 ASP H 1.0 2.5 4.5 164 111 A 45 ALA H A 46 ASP H 1.0 2.3 3.3 165 112 A 46 ASP H A 46 ASP HA 1.0 2.0 3.0 166 113 A 46 ASP HA A 47 LYS H 1.0 3.0 4.0 167 114 A 46 ASP H A 46 ASP HBx 1.0 1.8 3.5 168 114 A 46 ASP H A 46 ASP HBy 1.0 1.8 3.5 169 115 A 47 LYS H A 46 ASP HBx 1.0 2.5 4.5 170 115 A 47 LYS H A 46 ASP HBy 1.0 2.5 4.5 171 116 A 48 GLN H A 47 LYS HA 1.0 3.0 4.0 172 117 A 52 ASP H A 51 LEU HA 1.0 3.0 4.0 173 118 A 52 ASP H A 52 ASP HBx 1.0 1.8 3.5 174 118 A 52 ASP H A 52 ASP HBy 1.0 1.8 3.5 175 119 A 53 GLY H A 53 GLY HAx 1.0 1.8 3.5 176 119 A 53 GLY H A 53 GLY HAy 1.0 1.8 3.5 177 120 A 55 LEU H A 54 ALA HA 1.0 3.0 4.0 178 121 A 54 ALA H A 54 ALA HB% 1.0 1.8 3.5 179 122 A 57 TYR H A 56 ARG HA 1.0 3.0 4.0 180 123 A 56 ARG H A 56 ARG HBx 1.0 1.8 3.5 181 123 A 56 ARG H A 56 ARG HBy 1.0 1.8 3.5 182 124 A 4 GLY H A 2 SER H 1.0 2.2 5.0 183 125 A 4 GLY H A 3 ALA HA 1.0 3.0 4.0 184 126 A 4 GLY H A 4 GLY HAx 1.0 1.8 3.5 185 126 A 4 GLY HAy A 4 GLY H 1.0 1.8 3.5 186 127 A 6 GLN H A 5 LEU HG 1.0 2.5 5.0 187 128 A 6 GLN H A 6 GLN HGx 1.0 2.5 4.5 188 128 A 6 GLN H A 6 GLN HGy 1.0 2.5 4.5 189 129 A 7 GLU H A 7 GLU HGx 1.0 2.5 4.5 190 129 A 7 GLU H A 7 GLU HGy 1.0 2.5 4.5 191 130 A 8 LYS H A 8 LYS HGx 1.0 2.5 4.5 192 130 A 8 LYS H A 8 LYS HGy 1.0 2.5 4.5 193 131 A 10 ARG H A 9 GLU HGx 1.0 2.5 5.0 194 131 A 10 ARG H A 9 GLU HGy 1.0 2.5 5.0 195 132 A 11 GLU H A 10 ARG HBx 1.0 2.5 4.5 196 132 A 11 GLU H A 10 ARG HBy 1.0 2.5 4.5 197 133 A 13 GLU H A 12 LEU HBx 1.0 2.5 4.5 198 133 A 13 GLU H A 12 LEU HBy 1.0 2.5 4.5 199 134 A 13 GLU H A 12 LEU HDx% 1.0 2.5 5.0 200 135 A 14 ASP H A 13 GLU HGx 1.0 2.5 5.0 201 135 A 14 ASP H A 13 GLU HGy 1.0 2.5 5.0 202 136 A 15 LEU HA A 18 ALA H 1.0 2.9 3.9 203 137 A 16 LYS H A 15 LEU HDx% 1.0 2.5 5.0 204 138 A 17 ASP H A 16 LYS HDx 1.0 2.5 5.0 205 138 A 17 ASP H A 16 LYS HDy 1.0 2.5 5.0 206 139 A 17 ASP H A 16 LYS HGx 1.0 2.5 5.0 207 139 A 17 ASP H A 16 LYS HGy 1.0 2.5 5.0 208 140 A 20 LEU H A 19 GLU HGx 1.0 2.5 5.0 209 140 A 20 LEU H A 19 GLU HGy 1.0 2.5 5.0 210 141 A 20 LEU H A 20 LEU HDx% 1.0 2.5 5.0 211 142 A 21 LYS H A 20 LEU HDx% 1.0 2.5 5.0 212 143 A 22 ARG H A 22 ARG HDx 1.0 2.5 5.0 213 143 A 22 ARG H A 22 ARG HDy 1.0 2.5 5.0 214 144 A 24 ASN H A 23 LEU HBx 1.0 2.5 4.5 215 144 A 24 ASN H A 23 LEU HBy 1.0 2.5 4.5 216 145 A 23 LEU H A 23 LEU HDx% 1.0 2.5 5.0 217 146 A 24 ASN H A 23 LEU HDx% 1.0 2.5 5.0 218 147 A 24 ASN H A 23 LEU HG 1.0 2.5 5.0 219 148 A 28 HIS H A 27 ARG HA 1.0 3.0 4.0 220 149 A 27 ARG HA A 30 HIS H 1.0 2.9 3.9 221 150 A 28 HIS H A 27 ARG HBx 1.0 2.5 4.5 222 150 A 27 ARG HBy A 28 HIS H 1.0 2.5 4.5 223 151 A 28 HIS H A 28 HIS HA 1.0 2.0 3.0 224 152 A 28 HIS H A 28 HIS HBx 1.0 1.8 3.5 225 152 A 28 HIS H A 28 HIS HBy 1.0 1.8 3.5 226 153 A 29 ASP H A 28 HIS HBx 1.0 2.5 4.5 227 153 A 28 HIS HBy A 29 ASP H 1.0 2.5 4.5 228 154 A 29 ASP H A 29 ASP HBx 1.0 1.8 3.5 229 154 A 29 ASP H A 29 ASP HBy 1.0 1.8 3.5 230 155 A 30 HIS H A 29 ASP HBx 1.0 2.5 4.5 231 155 A 30 HIS H A 29 ASP HBy 1.0 2.5 4.5 232 156 A 30 HIS H A 30 HIS HA 1.0 2.0 3.0 233 157 A 30 HIS H A 30 HIS HBx 1.0 1.8 3.5 234 157 A 30 HIS HBy A 30 HIS H 1.0 1.8 3.5 235 158 A 34 GLU H A 31 ASP HA 1.0 2.9 3.9 236 159 A 31 ASP H A 32 LYS H 1.0 2.3 3.3 237 160 A 32 LYS H A 32 LYS HGx 1.0 2.5 4.5 238 160 A 32 LYS H A 32 LYS HGy 1.0 2.5 4.5 239 161 A 40 LEU H A 40 LEU HDx% 1.0 2.5 5.0 240 162 A 45 ALA H A 42 ASP HA 1.0 2.9 3.9 241 163 A 43 LYS H A 43 LYS HGx 1.0 2.5 4.5 242 163 A 43 LYS H A 43 LYS HGy 1.0 2.5 4.5 243 164 A 45 ALA H A 44 LEU HBx 1.0 2.5 4.5 244 164 A 45 ALA H A 44 LEU HBy 1.0 2.5 4.5 245 165 A 45 ALA H A 44 LEU HDx% 1.0 2.5 5.0 246 166 A 45 ALA H A 44 LEU HG 1.0 2.5 5.0 247 167 A 50 HIS H A 49 GLU HA 1.0 3.0 4.0 248 168 A 50 HIS H A 49 GLU HBx 1.0 2.5 4.5 249 168 A 50 HIS H A 49 GLU HBy 1.0 2.5 4.5 250 169 A 51 LEU H A 50 HIS HA 1.0 3.0 4.0 251 170 A 51 LEU HA A 51 LEU H 1.0 2.0 3.0 252 171 A 51 LEU H A 51 LEU HDx% 1.0 2.5 5.0 253 172 A 51 LEU H A 51 LEU HG 1.0 2.5 4.5 254 173 A 52 ASP H A 51 LEU HG 1.0 2.5 5.0 255 174 A 52 ASP H A 52 ASP HA 1.0 2.0 3.0 256 175 A 53 GLY H A 52 ASP HA 1.0 3.0 4.0 257 176 A 53 GLY H A 52 ASP HBx 1.0 2.5 4.5 258 176 A 52 ASP HBy A 53 GLY H 1.0 2.5 4.5 259 177 A 54 ALA H A 53 GLY HAx 1.0 2.5 4.5 260 177 A 53 GLY HAy A 54 ALA H 1.0 2.5 4.5 261 178 A 54 ALA HA A 54 ALA H 1.0 2.0 3.0 262 179 A 56 ARG H A 55 LEU HA 1.0 3.0 4.0 263 180 A 57 TYR H A 56 ARG HBx 1.0 2.5 4.5 264 180 A 57 TYR H A 56 ARG HBy 1.0 2.5 4.5 265 181 A 57 TYR H A 57 TYR HBx 1.0 1.8 3.5 266 181 A 57 TYR H A 57 TYR HBy 1.0 1.8 3.5 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 7 GLU C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -86.9 -46.9 PHI 2 2 A 8 LYS N A 8 LYS CA A 8 LYS C A 9 GLU N 1.0 -55.5 -15.5 PSI 3 3 A 8 LYS C A 9 GLU N A 9 GLU CA A 9 GLU C 1.0 -87.5 -47.5 PHI 4 4 A 9 GLU N A 9 GLU CA A 9 GLU C A 10 ARG N 1.0 -55.8 -15.8 PSI 5 5 A 9 GLU C A 10 ARG N A 10 ARG CA A 10 ARG C 1.0 -89.6 -49.6 PHI 6 6 A 10 ARG N A 10 ARG CA A 10 ARG C A 11 GLU N 1.0 -56.8 -16.8 PSI 7 7 A 10 ARG C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -88.7 -48.7 PHI 8 8 A 11 GLU N A 11 GLU CA A 11 GLU C A 12 LEU N 1.0 -57.7 -17.7 PSI 9 9 A 11 GLU C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -89.2 -49.2 PHI 10 10 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 GLU N 1.0 -57.4 -17.4 PSI 11 11 A 12 LEU C A 13 GLU N A 13 GLU CA A 13 GLU C 1.0 -87.4 -47.4 PHI 12 12 A 13 GLU N A 13 GLU CA A 13 GLU C A 14 ASP N 1.0 -58.6 -18.6 PSI 13 13 A 13 GLU C A 14 ASP N A 14 ASP CA A 14 ASP C 1.0 -88.3 -48.3 PHI 14 14 A 14 ASP N A 14 ASP CA A 14 ASP C A 15 LEU N 1.0 -58.6 -18.6 PSI 15 15 A 14 ASP C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -87.7 -47.7 PHI 16 16 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 LYS N 1.0 -57.4 -17.4 PSI 17 17 A 15 LEU C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -87.5 -47.5 PHI 18 18 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 ASP N 1.0 -56.8 -16.8 PSI 19 19 A 16 LYS C A 17 ASP N A 17 ASP CA A 17 ASP C 1.0 -86.3 -46.3 PHI 20 20 A 17 ASP N A 17 ASP CA A 17 ASP C A 18 ALA N 1.0 -59.3 -19.3 PSI 21 21 A 17 ASP C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -84.2 -44.2 PHI 22 22 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 GLU N 1.0 -58.4 -18.4 PSI 23 23 A 18 ALA C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -86.6 -46.6 PHI 24 24 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 LEU N 1.0 -60.9 -20.9 PSI 25 25 A 19 GLU C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -85.2 -45.2 PHI 26 26 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 LYS N 1.0 -60.7 -20.7 PSI 27 27 A 20 LEU C A 21 LYS N A 21 LYS CA A 21 LYS C 1.0 -87.4 -47.4 PHI 28 28 A 21 LYS N A 21 LYS CA A 21 LYS C A 22 ARG N 1.0 -58.8 -18.8 PSI 29 29 A 21 LYS C A 22 ARG N A 22 ARG CA A 22 ARG C 1.0 -85.5 -45.5 PHI 30 30 A 22 ARG N A 22 ARG CA A 22 ARG C A 23 LEU N 1.0 -60.1 -20.1 PSI 31 31 A 22 ARG C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -88.3 -48.3 PHI 32 32 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 ASN N 1.0 -58.2 -18.2 PSI 33 33 A 23 LEU C A 24 ASN N A 24 ASN CA A 24 ASN C 1.0 -87.3 -47.3 PHI 34 34 A 24 ASN N A 24 ASN CA A 24 ASN C A 25 GLU N 1.0 -57.1 -17.1 PSI 35 35 A 24 ASN C A 25 GLU N A 25 GLU CA A 25 GLU C 1.0 -88.1 -48.1 PHI 36 36 A 25 GLU N A 25 GLU CA A 25 GLU C A 26 GLU N 1.0 -58.0 -18.0 PSI 37 37 A 25 GLU C A 26 GLU N A 26 GLU CA A 26 GLU C 1.0 -86.6 -46.6 PHI 38 38 A 26 GLU N A 26 GLU CA A 26 GLU C A 27 ARG N 1.0 -56.8 -16.8 PSI 39 39 A 26 GLU C A 27 ARG N A 27 ARG CA A 27 ARG C 1.0 -87.6 -47.6 PHI 40 40 A 27 ARG N A 27 ARG CA A 27 ARG C A 28 HIS N 1.0 -57.7 -17.7 PSI 41 41 A 27 ARG C A 28 HIS N A 28 HIS CA A 28 HIS C 1.0 -88.8 -48.8 PHI 42 42 A 28 HIS N A 28 HIS CA A 28 HIS C A 29 ASP N 1.0 -57.6 -17.6 PSI 43 43 A 28 HIS C A 29 ASP N A 29 ASP CA A 29 ASP C 1.0 -87.4 -47.4 PHI 44 44 A 29 ASP N A 29 ASP CA A 29 ASP C A 30 HIS N 1.0 -59.5 -19.5 PSI 45 45 A 29 ASP C A 30 HIS N A 30 HIS CA A 30 HIS C 1.0 -86.2 -46.2 PHI 46 46 A 30 HIS N A 30 HIS CA A 30 HIS C A 31 ASP N 1.0 -60.3 -20.3 PSI 47 47 A 30 HIS C A 31 ASP N A 31 ASP CA A 31 ASP C 1.0 -86.9 -46.9 PHI 48 48 A 31 ASP N A 31 ASP CA A 31 ASP C A 32 LYS N 1.0 -59.1 -19.1 PSI 49 49 A 31 ASP C A 32 LYS N A 32 LYS CA A 32 LYS C 1.0 -85.9 -45.9 PHI 50 50 A 32 LYS N A 32 LYS CA A 32 LYS C A 33 ARG N 1.0 -59.0 -19.0 PSI 51 51 A 32 LYS C A 33 ARG N A 33 ARG CA A 33 ARG C 1.0 -87.6 -47.6 PHI 52 52 A 33 ARG N A 33 ARG CA A 33 ARG C A 34 GLU N 1.0 -58.7 -18.7 PSI 53 53 A 33 ARG C A 34 GLU N A 34 GLU CA A 34 GLU C 1.0 -87.2 -47.2 PHI 54 54 A 34 GLU N A 34 GLU CA A 34 GLU C A 35 ALA N 1.0 -58.9 -18.9 PSI 55 55 A 34 GLU C A 35 ALA N A 35 ALA CA A 35 ALA C 1.0 -86.0 -46.0 PHI 56 56 A 35 ALA N A 35 ALA CA A 35 ALA C A 36 GLU N 1.0 -58.0 -18.0 PSI 57 57 A 35 ALA C A 36 GLU N A 36 GLU CA A 36 GLU C 1.0 -87.1 -47.1 PHI 58 58 A 36 GLU N A 36 GLU CA A 36 GLU C A 37 ARG N 1.0 -57.7 -17.7 PSI 59 59 A 36 GLU C A 37 ARG N A 37 ARG CA A 37 ARG C 1.0 -87.4 -47.4 PHI 60 60 A 37 ARG N A 37 ARG CA A 37 ARG C A 38 LYS N 1.0 -58.3 -18.3 PSI 61 61 A 37 ARG C A 38 LYS N A 38 LYS CA A 38 LYS C 1.0 -86.5 -46.5 PHI 62 62 A 38 LYS N A 38 LYS CA A 38 LYS C A 39 ALA N 1.0 -58.9 -18.9 PSI 63 63 A 38 LYS C A 39 ALA N A 39 ALA CA A 39 ALA C 1.0 -85.3 -45.3 PHI 64 64 A 39 ALA N A 39 ALA CA A 39 ALA C A 40 LEU N 1.0 -58.2 -18.2 PSI 65 65 A 39 ALA C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -88.7 -48.7 PHI 66 66 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 GLU N 1.0 -58.3 -18.3 PSI 67 67 A 40 LEU C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -88.3 -48.3 PHI 68 68 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 ASP N 1.0 -56.3 -16.3 PSI 69 69 A 41 GLU C A 42 ASP N A 42 ASP CA A 42 ASP C 1.0 -88.8 -48.8 PHI 70 70 A 42 ASP N A 42 ASP CA A 42 ASP C A 43 LYS N 1.0 -55.4 -15.4 PSI 71 71 A 42 ASP C A 43 LYS N A 43 LYS CA A 43 LYS C 1.0 -87.1 -47.1 PHI 72 72 A 43 LYS N A 43 LYS CA A 43 LYS C A 44 LEU N 1.0 -56.6 -16.6 PSI 73 73 A 43 LYS C A 44 LEU N A 44 LEU CA A 44 LEU C 1.0 -89.8 -49.8 PHI 74 74 A 44 LEU N A 44 LEU CA A 44 LEU C A 45 ALA N 1.0 -55.0 -15.0 PSI 75 75 A 45 ALA C A 46 ASP N A 46 ASP CA A 46 ASP C 1.0 -92.0 -52.0 PHI 76 76 A 46 ASP N A 46 ASP CA A 46 ASP C A 47 LYS N 1.0 -46.2 -6.2 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_