data_nef_c34500_6ydh 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 6YDH 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 ALA middle . . 3 A 3 MET middle . . 4 A 4 GLY middle . false 5 A 5 SER middle . . 6 A 6 GLU middle . . 7 A 7 SER middle . . 8 A 8 GLU middle . . 9 A 9 GLN middle . . 10 A 10 ARG middle . . 11 A 11 HIS middle . . 12 A 12 ALA middle . . 13 A 13 HIS middle . . 14 A 14 GLN middle . . 15 A 15 CYS middle . . 16 A 16 VAL middle . . 17 A 17 SER middle . . 18 A 18 CYS middle . . 19 A 19 GLY middle . false 20 A 20 ILE middle . . 21 A 21 ASN middle . . 22 A 22 ILE middle . . 23 A 23 ALA middle . . 24 A 24 GLY middle . false 25 A 25 MET middle . . 26 A 26 SER middle . . 27 A 27 ALA middle . . 28 A 28 ALA middle . . 29 A 29 THR middle . . 30 A 30 PHE middle . . 31 A 31 LYS middle . . 32 A 32 CYS middle . . 33 A 33 PRO middle . false 34 A 34 ASP middle . . 35 A 35 CYS middle . . 36 A 36 GLY middle . false 37 A 37 GLN middle . . 38 A 38 GLU middle . . 39 A 39 ILE middle . . 40 A 40 SER middle . . 41 A 41 ARG middle . . 42 A 42 CYS middle . . 43 A 43 SER middle . . 44 A 44 LYS middle . . 45 A 45 CYS middle . . 46 A 46 ARG middle . . 47 A 47 LYS middle . . 48 A 48 GLN middle . . 49 A 49 SER middle . . 50 A 50 ASN middle . . 51 A 51 LEU middle . . 52 A 52 TYR middle . . 53 A 53 GLU middle . . 54 A 54 CYS middle . . 55 A 55 PRO middle . false 56 A 56 ASP middle . . 57 A 57 CYS middle . . 58 A 58 GLY middle . false 59 A 59 PHE middle . . 60 A 60 MET middle . . 61 A 61 GLY middle . false 62 A 62 PRO end . false 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 ALA HA H 1 4.351 0.006 A 2 ALA HB% H 1 1.397 0.005 A 2 ALA C C 13 173.805 0.004 A 2 ALA CA C 13 52.467 0.039 A 2 ALA CB C 13 19.229 0.054 A 3 MET H H 1 8.745 0.002 A 3 MET HA H 1 4.499 0.006 A 3 MET HBx H 1 2.059 0.010 A 3 MET HBy H 1 2.113 0.013 A 3 MET HGx H 1 2.568 0.009 A 3 MET HGy H 1 2.641 0.005 A 3 MET C C 13 174.921 0.002 A 3 MET CA C 13 55.550 0.014 A 3 MET CB C 13 32.465 0.050 A 3 MET CG C 13 31.933 0.027 A 3 MET N N 15 120.343 0.020 A 4 GLY H H 1 8.651 0.002 A 4 GLY HAx H 1 4.003 0.030 A 4 GLY HAy H 1 4.045 0.031 A 4 GLY C C 13 177.479 0.012 A 4 GLY CA C 13 45.183 0.014 A 4 GLY N N 15 111.232 0.025 A 5 SER H H 1 8.399 0.003 A 5 SER HA H 1 4.456 0.010 A 5 SER HBx H 1 3.872 0.011 A 5 SER HBy H 1 3.944 0.009 A 5 SER C C 13 176.813 0.001 A 5 SER CA C 13 58.491 0.085 A 5 SER CB C 13 63.750 0.063 A 5 SER N N 15 116.143 0.011 A 6 GLU H H 1 8.811 0.001 A 6 GLU HA H 1 4.296 0.006 A 6 GLU HBx H 1 1.993 0.010 A 6 GLU HBy H 1 2.102 0.006 A 6 GLU HGx H 1 2.293 0.005 A 6 GLU HGy H 1 2.293 0.005 A 6 GLU C C 13 174.879 0.003 A 6 GLU CA C 13 57.196 0.053 A 6 GLU CB C 13 29.658 0.066 A 6 GLU CG C 13 36.273 0.024 A 6 GLU N N 15 122.981 0.014 A 7 SER H H 1 8.373 0.001 A 7 SER HA H 1 4.393 0.003 A 7 SER HBx H 1 3.862 0.005 A 7 SER HBy H 1 3.862 0.005 A 7 SER C C 13 177.077 0.003 A 7 SER CA C 13 58.757 0.026 A 7 SER CB C 13 63.547 0.050 A 7 SER N N 15 116.105 0.019 A 8 GLU H H 1 8.370 0.002 A 8 GLU HA H 1 4.251 0.006 A 8 GLU HBx H 1 1.969 0.013 A 8 GLU HBy H 1 2.060 0.010 A 8 GLU HGx H 1 2.256 0.012 A 8 GLU HGy H 1 2.256 0.012 A 8 GLU C C 13 175.312 0.008 A 8 GLU CA C 13 56.647 0.018 A 8 GLU CB C 13 30.035 0.053 A 8 GLU CG C 13 36.300 0.030 A 8 GLU N N 15 122.790 0.014 A 9 GLN H H 1 8.399 0.002 A 9 GLN HA H 1 4.260 0.007 A 9 GLN HBx H 1 1.950 0.015 A 9 GLN HBy H 1 2.031 0.009 A 9 GLN HGx H 1 2.327 0.005 A 9 GLN HGy H 1 2.327 0.005 A 9 GLN C C 13 175.971 0.002 A 9 GLN CA C 13 55.754 0.039 A 9 GLN CB C 13 29.080 0.055 A 9 GLN CG C 13 33.667 0.058 A 9 GLN N N 15 121.373 0.014 A 10 ARG H H 1 8.400 0.003 A 10 ARG HA H 1 4.261 0.006 A 10 ARG HBx H 1 1.702 0.009 A 10 ARG HBy H 1 1.722 0.004 A 10 ARG HDx H 1 3.149 0.004 A 10 ARG HDy H 1 3.149 0.004 A 10 ARG HGx H 1 1.520 0.009 A 10 ARG HGy H 1 1.541 0.005 A 10 ARG C C 13 175.825 0.010 A 10 ARG CA C 13 56.003 0.042 A 10 ARG CB C 13 30.661 0.055 A 10 ARG CD C 13 43.125 0.046 A 10 ARG CG C 13 27.073 0.021 A 10 ARG N N 15 122.537 0.024 A 11 HIS H H 1 8.400 0.004 A 11 HIS HA H 1 4.633 0.003 A 11 HIS HBx H 1 2.979 0.021 A 11 HIS HBy H 1 3.088 0.010 A 11 HIS HD2 H 1 7.035 0.000 A 11 HIS HE1 H 1 7.969 0.000 A 11 HIS C C 13 176.899 0.004 A 11 HIS CA C 13 55.566 0.019 A 11 HIS CB C 13 30.820 0.091 A 11 HIS CD2 C 13 120.092 0.000 A 11 HIS CE1 C 13 138.045 0.000 A 11 HIS N N 15 120.738 0.032 A 12 ALA H H 1 8.350 0.002 A 12 ALA HA H 1 4.266 0.005 A 12 ALA HB% H 1 1.268 0.004 A 12 ALA C C 13 174.525 0.011 A 12 ALA CA C 13 52.672 0.042 A 12 ALA CB C 13 19.137 0.053 A 12 ALA N N 15 124.588 0.017 A 13 HIS H H 1 8.577 0.003 A 13 HIS HA H 1 4.679 0.006 A 13 HIS HBx H 1 3.062 0.006 A 13 HIS HBy H 1 3.062 0.006 A 13 HIS HD2 H 1 7.035 0.000 A 13 HIS HE1 H 1 7.969 0.000 A 13 HIS C C 13 177.983 0.001 A 13 HIS CA C 13 55.405 0.024 A 13 HIS CB C 13 30.732 0.124 A 13 HIS CD2 C 13 120.092 0.000 A 13 HIS CE1 C 13 138.045 0.000 A 13 HIS N N 15 117.948 0.012 A 14 GLN H H 1 8.160 0.002 A 14 GLN HA H 1 5.014 0.008 A 14 GLN HBx H 1 1.725 0.020 A 14 GLN HBy H 1 1.816 0.013 A 14 GLN HGx H 1 2.059 0.015 A 14 GLN HGy H 1 2.167 0.009 A 14 GLN C C 13 177.108 0.003 A 14 GLN CA C 13 53.911 0.067 A 14 GLN CB C 13 31.920 0.055 A 14 GLN CG C 13 34.246 0.025 A 14 GLN N N 15 119.813 0.017 A 15 CYS H H 1 8.997 0.001 A 15 CYS HA H 1 4.158 0.007 A 15 CYS HBx H 1 2.759 0.005 A 15 CYS HBy H 1 3.389 0.005 A 15 CYS C C 13 173.330 0.016 A 15 CYS CA C 13 59.484 0.054 A 15 CYS CB C 13 30.746 0.048 A 15 CYS N N 15 124.705 0.013 A 16 VAL H H 1 9.106 0.002 A 16 VAL HA H 1 4.216 0.007 A 16 VAL HB H 1 2.624 0.011 A 16 VAL HGx% H 1 1.199 0.004 A 16 VAL HGy% H 1 1.239 0.003 A 16 VAL C C 13 176.309 0.002 A 16 VAL CA C 13 64.257 0.065 A 16 VAL CB C 13 31.724 0.064 A 16 VAL CGx C 13 20.592 0.025 A 16 VAL CGy C 13 21.642 0.013 A 16 VAL N N 15 129.022 0.021 A 17 SER H H 1 9.086 0.002 A 17 SER HA H 1 4.892 0.005 A 17 SER HBx H 1 4.154 0.007 A 17 SER HBy H 1 4.317 0.005 A 17 SER C C 13 176.557 0.014 A 17 SER CA C 13 60.512 0.020 A 17 SER CB C 13 65.131 0.036 A 17 SER N N 15 119.543 0.017 A 18 CYS H H 1 8.268 0.003 A 18 CYS HA H 1 5.064 0.003 A 18 CYS HBx H 1 2.511 0.009 A 18 CYS HBy H 1 3.191 0.004 A 18 CYS C C 13 174.883 0.005 A 18 CYS CA C 13 59.076 0.046 A 18 CYS CB C 13 32.632 0.036 A 18 CYS N N 15 119.796 0.020 A 19 GLY H H 1 8.049 0.002 A 19 GLY HAx H 1 3.865 0.008 A 19 GLY HAy H 1 4.252 0.005 A 19 GLY C C 13 178.165 0.002 A 19 GLY CA C 13 46.064 0.022 A 19 GLY N N 15 112.999 0.056 A 20 ILE H H 1 8.340 0.001 A 20 ILE HA H 1 4.211 0.006 A 20 ILE HB H 1 2.112 0.008 A 20 ILE HD1% H 1 0.957 0.009 A 20 ILE HG1x H 1 1.508 0.002 A 20 ILE HG1y H 1 1.508 0.002 A 20 ILE HG2% H 1 0.949 0.005 A 20 ILE C C 13 177.182 0.001 A 20 ILE CA C 13 62.116 0.041 A 20 ILE CB C 13 39.222 0.060 A 20 ILE CD1 C 13 14.412 0.025 A 20 ILE CG1 C 13 28.262 0.061 A 20 ILE CG2 C 13 18.035 0.019 A 20 ILE N N 15 122.722 0.009 A 21 ASN H H 1 8.436 0.003 A 21 ASN HA H 1 4.825 0.009 A 21 ASN HBx H 1 2.733 0.008 A 21 ASN HBy H 1 2.733 0.008 A 21 ASN C C 13 175.794 0.001 A 21 ASN CA C 13 54.029 0.045 A 21 ASN CB C 13 38.426 0.049 A 21 ASN N N 15 122.688 0.026 A 22 ILE H H 1 8.444 0.002 A 22 ILE HA H 1 4.297 0.009 A 22 ILE HB H 1 1.891 0.009 A 22 ILE HD1% H 1 0.593 0.009 A 22 ILE HG1x H 1 0.873 0.004 A 22 ILE HG1y H 1 1.283 0.006 A 22 ILE HG2% H 1 0.814 0.006 A 22 ILE C C 13 175.981 0.004 A 22 ILE CA C 13 60.494 0.062 A 22 ILE CB C 13 38.507 0.067 A 22 ILE CD1 C 13 13.788 0.036 A 22 ILE CG1 C 13 26.903 0.032 A 22 ILE CG2 C 13 18.750 0.034 A 22 ILE N N 15 122.060 0.033 A 23 ALA H H 1 8.465 0.002 A 23 ALA HA H 1 4.275 0.007 A 23 ALA HB% H 1 1.393 0.005 A 23 ALA C C 13 173.261 0.014 A 23 ALA CA C 13 53.094 0.072 A 23 ALA CB C 13 18.820 0.052 A 23 ALA N N 15 128.183 0.030 A 24 GLY H H 1 8.749 0.005 A 24 GLY HAx H 1 3.844 0.008 A 24 GLY HAy H 1 4.002 0.007 A 24 GLY C C 13 177.344 0.013 A 24 GLY CA C 13 45.646 0.039 A 24 GLY N N 15 109.906 0.013 A 25 MET H H 1 8.204 0.003 A 25 MET HA H 1 4.560 0.004 A 25 MET HBx H 1 2.021 0.006 A 25 MET HBy H 1 2.140 0.014 A 25 MET HGx H 1 2.500 0.015 A 25 MET HGy H 1 2.564 0.011 A 25 MET C C 13 175.597 0.007 A 25 MET CA C 13 55.213 0.025 A 25 MET CB C 13 32.707 0.037 A 25 MET CG C 13 32.038 0.030 A 25 MET N N 15 119.270 0.024 A 26 SER H H 1 8.558 0.004 A 26 SER HA H 1 4.415 0.008 A 26 SER HBx H 1 3.893 0.006 A 26 SER HBy H 1 3.893 0.006 A 26 SER C C 13 177.547 0.000 A 26 SER CA C 13 58.552 0.052 A 26 SER CB C 13 63.289 0.113 A 26 SER N N 15 117.178 0.028 A 27 ALA H H 1 8.368 0.002 A 27 ALA HA H 1 4.387 0.005 A 27 ALA HB% H 1 1.317 0.005 A 27 ALA C C 13 175.352 0.010 A 27 ALA CA C 13 52.214 0.040 A 27 ALA CB C 13 19.657 0.062 A 27 ALA N N 15 125.699 0.022 A 28 ALA H H 1 8.326 0.003 A 28 ALA HA H 1 4.541 0.008 A 28 ALA HB% H 1 1.394 0.007 A 28 ALA C C 13 174.575 0.006 A 28 ALA CA C 13 51.937 0.042 A 28 ALA CB C 13 19.880 0.093 A 28 ALA N N 15 122.695 0.021 A 29 THR H H 1 8.201 0.002 A 29 THR HA H 1 4.912 0.008 A 29 THR HB H 1 3.902 0.006 A 29 THR HG2% H 1 1.043 0.006 A 29 THR C C 13 178.204 0.004 A 29 THR CA C 13 61.754 0.028 A 29 THR CB C 13 70.548 0.022 A 29 THR CG2 C 13 21.701 0.027 A 29 THR N N 15 115.936 0.012 A 30 PHE H H 1 8.998 0.002 A 30 PHE HA H 1 4.814 0.007 A 30 PHE HBx H 1 3.005 0.020 A 30 PHE HBy H 1 3.075 0.017 A 30 PHE HDx H 1 7.023 0.000 A 30 PHE HDy H 1 7.023 0.000 A 30 PHE HEx H 1 6.894 0.000 A 30 PHE HEy H 1 6.894 0.000 A 30 PHE HZ H 1 6.329 0.000 A 30 PHE C C 13 179.675 0.014 A 30 PHE CA C 13 55.966 0.013 A 30 PHE CB C 13 40.554 0.046 A 30 PHE CDx C 13 132.527 0.000 A 30 PHE CEy C 13 130.651 0.000 A 30 PHE CZ C 13 129.069 0.000 A 30 PHE N N 15 124.843 0.021 A 31 LYS H H 1 8.241 0.003 A 31 LYS HA H 1 4.506 0.009 A 31 LYS HBx H 1 1.352 0.013 A 31 LYS HBy H 1 1.460 0.033 A 31 LYS HDx H 1 1.547 0.000 A 31 LYS HDy H 1 1.547 0.000 A 31 LYS HEx H 1 2.965 0.017 A 31 LYS HEy H 1 2.965 0.017 A 31 LYS HGx H 1 1.187 0.005 A 31 LYS HGy H 1 1.355 0.004 A 31 LYS C C 13 176.509 0.016 A 31 LYS CA C 13 54.035 0.018 A 31 LYS CB C 13 33.781 0.046 A 31 LYS CD C 13 28.957 0.000 A 31 LYS CE C 13 41.844 0.104 A 31 LYS CG C 13 25.029 0.018 A 31 LYS N N 15 120.224 0.019 A 32 CYS H H 1 9.136 0.002 A 32 CYS HA H 1 4.333 0.010 A 32 CYS HBx H 1 3.112 0.005 A 32 CYS HBy H 1 3.112 0.005 A 32 CYS C C 13 174.978 0.000 A 32 CYS CA C 13 57.443 0.074 A 32 CYS CB C 13 31.679 0.060 A 32 CYS N N 15 127.311 0.046 A 33 PRO HA H 1 4.131 0.006 A 33 PRO HBx H 1 1.394 0.005 A 33 PRO HBy H 1 2.202 0.006 A 33 PRO HDx H 1 3.791 0.003 A 33 PRO HDy H 1 4.087 0.005 A 33 PRO HGx H 1 1.745 0.012 A 33 PRO HGy H 1 1.926 0.007 A 33 PRO C C 13 175.884 0.003 A 33 PRO CA C 13 64.356 0.056 A 33 PRO CB C 13 32.559 0.070 A 33 PRO CD C 13 52.235 0.019 A 33 PRO CG C 13 27.363 0.014 A 34 ASP H H 1 8.632 0.003 A 34 ASP HA H 1 4.698 0.004 A 34 ASP HBx H 1 2.143 0.004 A 34 ASP HBy H 1 2.917 0.006 A 34 ASP C C 13 174.221 0.013 A 34 ASP CA C 13 55.309 0.027 A 34 ASP CB C 13 42.880 0.065 A 34 ASP N N 15 121.286 0.024 A 35 CYS H H 1 8.735 0.003 A 35 CYS HA H 1 4.923 0.003 A 35 CYS HBx H 1 2.735 0.005 A 35 CYS HBy H 1 3.225 0.007 A 35 CYS C C 13 174.183 0.005 A 35 CYS CA C 13 59.236 0.031 A 35 CYS CB C 13 32.519 0.040 A 35 CYS N N 15 119.202 0.016 A 36 GLY H H 1 8.039 0.002 A 36 GLY HAx H 1 3.749 0.008 A 36 GLY HAy H 1 4.191 0.014 A 36 GLY C C 13 178.533 0.010 A 36 GLY CA C 13 46.097 0.029 A 36 GLY N N 15 112.816 0.033 A 37 GLN H H 1 8.683 0.007 A 37 GLN HA H 1 4.188 0.004 A 37 GLN HBx H 1 2.021 0.001 A 37 GLN HBy H 1 2.151 0.012 A 37 GLN HGx H 1 2.411 0.013 A 37 GLN HGy H 1 2.480 0.011 A 37 GLN C C 13 176.544 0.009 A 37 GLN CA C 13 55.990 0.055 A 37 GLN CB C 13 29.927 0.053 A 37 GLN CG C 13 34.088 0.084 A 37 GLN N N 15 123.235 0.038 A 38 GLU H H 1 8.648 0.002 A 38 GLU HA H 1 4.313 0.005 A 38 GLU HBx H 1 1.794 0.017 A 38 GLU HBy H 1 1.864 0.011 A 38 GLU HGx H 1 1.983 0.005 A 38 GLU HGy H 1 2.234 0.006 A 38 GLU C C 13 176.020 0.004 A 38 GLU CA C 13 57.309 0.075 A 38 GLU CB C 13 30.164 0.069 A 38 GLU CG C 13 37.299 0.023 A 38 GLU N N 15 123.274 0.022 A 39 ILE H H 1 8.978 0.002 A 39 ILE HA H 1 4.171 0.009 A 39 ILE HB H 1 1.039 0.011 A 39 ILE HD1% H 1 0.907 0.002 A 39 ILE HG1x H 1 0.873 0.004 A 39 ILE HG1y H 1 1.285 0.005 A 39 ILE HG2% H 1 0.685 0.009 A 39 ILE C C 13 177.498 0.007 A 39 ILE CA C 13 60.277 0.016 A 39 ILE CB C 13 40.558 0.109 A 39 ILE CD1 C 13 13.848 0.044 A 39 ILE CG1 C 13 26.903 0.032 A 39 ILE CG2 C 13 18.729 0.033 A 39 ILE N N 15 126.393 0.010 A 40 SER H H 1 8.588 0.002 A 40 SER HA H 1 5.105 0.008 A 40 SER HBx H 1 3.490 0.007 A 40 SER HBy H 1 3.646 0.008 A 40 SER C C 13 179.004 0.006 A 40 SER CA C 13 57.735 0.044 A 40 SER CB C 13 64.842 0.107 A 40 SER N N 15 120.166 0.032 A 41 ARG H H 1 8.572 0.002 A 41 ARG HA H 1 5.751 0.007 A 41 ARG HBx H 1 1.500 0.018 A 41 ARG HBy H 1 1.771 0.004 A 41 ARG HGx H 1 1.578 0.004 A 41 ARG HGy H 1 1.578 0.004 A 41 ARG C C 13 176.431 0.011 A 41 ARG CA C 13 54.419 0.077 A 41 ARG CB C 13 34.853 0.051 A 41 ARG CD C 13 43.958 0.000 A 41 ARG CG C 13 28.605 0.027 A 41 ARG N N 15 123.233 0.019 A 42 CYS H H 1 10.002 0.003 A 42 CYS HA H 1 4.702 0.008 A 42 CYS HBx H 1 2.721 0.009 A 42 CYS HBy H 1 3.528 0.006 A 42 CYS C C 13 177.146 0.003 A 42 CYS CA C 13 58.247 0.053 A 42 CYS CB C 13 31.534 0.048 A 42 CYS N N 15 127.371 0.024 A 43 SER H H 1 8.713 0.002 A 43 SER HA H 1 4.021 0.014 A 43 SER HBx H 1 3.962 0.006 A 43 SER HBy H 1 3.962 0.006 A 43 SER C C 13 175.538 0.030 A 43 SER CA C 13 61.748 0.049 A 43 SER CB C 13 62.603 0.026 A 43 SER N N 15 114.806 0.024 A 44 LYS H H 1 8.092 0.002 A 44 LYS HA H 1 4.078 0.007 A 44 LYS HBx H 1 1.958 0.012 A 44 LYS HBy H 1 2.039 0.007 A 44 LYS HDx H 1 1.695 0.005 A 44 LYS HDy H 1 1.695 0.005 A 44 LYS HEx H 1 2.974 0.006 A 44 LYS HEy H 1 2.974 0.006 A 44 LYS HGx H 1 1.352 0.006 A 44 LYS HGy H 1 1.490 0.010 A 44 LYS C C 13 172.822 0.008 A 44 LYS CA C 13 60.116 0.057 A 44 LYS CB C 13 32.460 0.024 A 44 LYS CD C 13 29.121 0.069 A 44 LYS CE C 13 41.844 0.104 A 44 LYS CG C 13 25.239 0.027 A 44 LYS N N 15 124.719 0.027 A 45 CYS H H 1 8.999 0.002 A 45 CYS HA H 1 3.962 0.005 A 45 CYS HBx H 1 2.921 0.011 A 45 CYS HBy H 1 2.970 0.014 A 45 CYS C C 13 173.223 0.011 A 45 CYS CA C 13 65.315 0.051 A 45 CYS CB C 13 28.139 0.055 A 45 CYS N N 15 123.734 0.013 A 46 ARG H H 1 8.284 0.002 A 46 ARG HA H 1 3.948 0.003 A 46 ARG HBx H 1 1.800 0.013 A 46 ARG HBy H 1 1.882 0.012 A 46 ARG HDx H 1 3.175 0.009 A 46 ARG HDy H 1 3.175 0.009 A 46 ARG HGx H 1 1.431 0.003 A 46 ARG HGy H 1 1.720 0.011 A 46 ARG C C 13 173.049 0.005 A 46 ARG CA C 13 59.092 0.014 A 46 ARG CB C 13 30.138 0.073 A 46 ARG CD C 13 43.514 0.000 A 46 ARG CG C 13 27.719 0.068 A 46 ARG N N 15 117.871 0.020 A 47 LYS H H 1 7.970 0.004 A 47 LYS HA H 1 4.062 0.004 A 47 LYS HBx H 1 1.959 0.010 A 47 LYS HBy H 1 1.959 0.010 A 47 LYS HEx H 1 2.973 0.006 A 47 LYS HEy H 1 2.973 0.006 A 47 LYS HGx H 1 1.488 0.010 A 47 LYS HGy H 1 1.576 0.007 A 47 LYS C C 13 173.755 0.017 A 47 LYS CA C 13 58.556 0.042 A 47 LYS CB C 13 32.372 0.077 A 47 LYS CE C 13 41.785 0.020 A 47 LYS CG C 13 25.253 0.028 A 47 LYS N N 15 119.531 0.032 A 48 GLN H H 1 7.809 0.003 A 48 GLN HA H 1 4.199 0.007 A 48 GLN HBx H 1 2.029 0.007 A 48 GLN HBy H 1 2.189 0.005 A 48 GLN HGx H 1 2.401 0.010 A 48 GLN HGy H 1 2.528 0.008 A 48 GLN C C 13 176.197 0.008 A 48 GLN CA C 13 56.454 0.066 A 48 GLN CB C 13 28.955 0.053 A 48 GLN CG C 13 34.044 0.056 A 48 GLN N N 15 116.500 0.023 A 49 SER H H 1 7.802 0.003 A 49 SER HA H 1 4.247 0.007 A 49 SER HBx H 1 3.962 0.006 A 49 SER HBy H 1 3.962 0.006 A 49 SER C C 13 178.179 0.000 A 49 SER CA C 13 57.947 0.043 A 49 SER CB C 13 62.595 0.026 A 49 SER N N 15 111.988 0.020 A 50 ASN HA H 1 4.717 0.002 A 50 ASN HBx H 1 2.702 0.009 A 50 ASN HBy H 1 2.905 0.006 A 50 ASN C C 13 176.459 0.007 A 50 ASN CA C 13 53.225 0.033 A 50 ASN CB C 13 38.529 0.048 A 51 LEU H H 1 8.075 0.002 A 51 LEU HA H 1 4.609 0.003 A 51 LEU HBx H 1 1.576 0.013 A 51 LEU HBy H 1 1.603 0.008 A 51 LEU HDx% H 1 0.843 0.006 A 51 LEU HDy% H 1 0.881 0.005 A 51 LEU HG H 1 1.718 0.004 A 51 LEU C C 13 174.645 0.011 A 51 LEU CA C 13 55.502 0.094 A 51 LEU CB C 13 42.187 0.037 A 51 LEU CDx C 13 23.634 0.029 A 51 LEU CDy C 13 25.150 0.031 A 51 LEU CG C 13 27.253 0.030 A 51 LEU N N 15 121.594 0.023 A 52 TYR H H 1 8.062 0.005 A 52 TYR HA H 1 4.857 0.013 A 52 TYR HBx H 1 2.774 0.000 A 52 TYR HBy H 1 2.774 0.000 A 52 TYR HDx H 1 6.829 0.000 A 52 TYR HDy H 1 6.829 0.000 A 52 TYR HEx H 1 6.699 0.000 A 52 TYR HEy H 1 6.699 0.000 A 52 TYR C C 13 180.042 0.000 A 52 TYR CA C 13 56.171 0.043 A 52 TYR CB C 13 41.364 0.083 A 52 TYR CDx C 13 133.472 0.000 A 52 TYR CEy C 13 117.618 0.000 A 52 TYR N N 15 117.767 0.025 A 53 GLU H H 1 8.114 0.002 A 53 GLU HA H 1 5.296 0.013 A 53 GLU HBx H 1 1.791 0.007 A 53 GLU HBy H 1 1.791 0.007 A 53 GLU HGx H 1 1.895 0.008 A 53 GLU HGy H 1 2.064 0.006 A 53 GLU C C 13 175.973 0.003 A 53 GLU CA C 13 53.012 0.048 A 53 GLU CB C 13 32.885 0.107 A 53 GLU CG C 13 36.039 0.016 A 53 GLU N N 15 120.709 0.020 A 54 CYS H H 1 9.765 0.003 A 54 CYS HA H 1 4.720 0.013 A 54 CYS HBx H 1 3.492 0.009 A 54 CYS HBy H 1 3.526 0.010 A 54 CYS C C 13 175.141 0.000 A 54 CYS CA C 13 57.165 0.025 A 54 CYS CB C 13 32.692 0.027 A 54 CYS N N 15 130.734 0.017 A 55 PRO HA H 1 4.500 0.004 A 55 PRO HBx H 1 2.062 0.005 A 55 PRO HBy H 1 2.398 0.006 A 55 PRO HDx H 1 4.181 0.015 A 55 PRO HDy H 1 4.319 0.009 A 55 PRO HGx H 1 2.094 0.010 A 55 PRO HGy H 1 2.144 0.013 A 55 PRO C C 13 175.893 0.003 A 55 PRO CA C 13 64.052 0.040 A 55 PRO CB C 13 32.378 0.083 A 55 PRO CD C 13 51.648 0.019 A 55 PRO CG C 13 26.741 0.019 A 56 ASP H H 1 9.049 0.003 A 56 ASP HA H 1 4.823 0.004 A 56 ASP HBx H 1 2.538 0.005 A 56 ASP HBy H 1 2.754 0.005 A 56 ASP C C 13 174.690 0.003 A 56 ASP CA C 13 56.454 0.040 A 56 ASP CB C 13 43.114 0.048 A 56 ASP N N 15 121.849 0.015 A 57 CYS H H 1 9.010 0.003 A 57 CYS HA H 1 5.067 0.003 A 57 CYS HBx H 1 2.638 0.010 A 57 CYS HBy H 1 3.350 0.004 A 57 CYS C C 13 174.443 0.006 A 57 CYS CA C 13 58.781 0.045 A 57 CYS CB C 13 32.981 0.054 A 57 CYS N N 15 120.170 0.014 A 58 GLY H H 1 7.886 0.003 A 58 GLY HAx H 1 3.930 0.005 A 58 GLY HAy H 1 4.270 0.004 A 58 GLY C C 13 178.288 0.002 A 58 GLY CA C 13 45.939 0.034 A 58 GLY N N 15 112.225 0.018 A 59 PHE H H 1 9.255 0.003 A 59 PHE HA H 1 4.154 0.003 A 59 PHE HBx H 1 2.957 0.010 A 59 PHE HBy H 1 3.380 0.010 A 59 PHE HDx H 1 7.201 0.000 A 59 PHE HDy H 1 7.201 0.000 A 59 PHE HEx H 1 7.313 0.000 A 59 PHE HEy H 1 7.313 0.000 A 59 PHE HZ H 1 7.244 0.000 A 59 PHE C C 13 178.283 0.004 A 59 PHE CA C 13 60.426 0.048 A 59 PHE CB C 13 40.594 0.059 A 59 PHE CDx C 13 132.232 0.000 A 59 PHE CEy C 13 131.121 0.000 A 59 PHE CZ C 13 129.596 0.000 A 59 PHE N N 15 126.192 0.019 A 60 MET H H 1 7.388 0.002 A 60 MET HA H 1 4.795 0.011 A 60 MET HBx H 1 1.624 0.003 A 60 MET HBy H 1 1.853 0.005 A 60 MET HGx H 1 2.386 0.006 A 60 MET HGy H 1 2.542 0.006 A 60 MET C C 13 177.651 0.010 A 60 MET CA C 13 53.418 0.068 A 60 MET CB C 13 32.966 0.048 A 60 MET CG C 13 31.608 0.014 A 60 MET N N 15 126.541 0.009 A 61 GLY H H 1 7.462 0.002 A 61 GLY HAx H 1 2.918 0.005 A 61 GLY HAy H 1 3.879 0.007 A 61 GLY C C 13 172.296 0.000 A 61 GLY CA C 13 43.522 0.033 A 61 GLY N N 15 111.082 0.015 A 62 PRO HA H 1 4.246 0.007 A 62 PRO HBx H 1 2.182 0.005 A 62 PRO HBy H 1 2.399 0.009 A 62 PRO HDx H 1 3.484 0.013 A 62 PRO HDy H 1 3.538 0.012 A 62 PRO HGx H 1 1.807 0.005 A 62 PRO HGy H 1 1.807 0.005 A 62 PRO CA C 13 63.955 0.036 A 62 PRO CB C 13 34.910 0.040 A 62 PRO CD C 13 50.109 0.018 A 62 PRO CG C 13 25.124 0.039 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 undefined save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond save_ save_CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_5 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 3 _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 Hz . . 13297.872 . aliased . . 2 Hz . . 8474.576 . aliased . . 3 Hz . . 10526.315 . aliased . . stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _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 Hz . . 6313.131 . aliased . . 2 Hz . . 5000 . aliased . . 3 Hz . . 8403.361 . aliased . . stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _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 Hz . . 13297.872 . aliased . . 2 Hz . . 2214.424 . aliased . . 3 Hz . . 11400.653 . aliased . . stop_ save_