data_nef_c18710_2ly6 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 3 CYS SG 1 51 CYS SG 1 15 CYS SG 1 36 CYS SG 1 21 CYS SG 1 46 CYS SG 1 21 CYS SG 1 36 CYS SG 1 25 CYS SG 1 48 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 2 ASP start . . 2 A 3 LYS middle . . 3 A 4 CYS middle -HG . 4 A 5 LYS middle . . 5 A 6 LYS middle . . 6 A 7 VAL middle . . 7 A 8 TYR middle . . 8 A 9 GLU middle . . 9 A 10 ASN middle . . 10 A 11 TYR middle . . 11 A 12 PRO middle . false 12 A 13 VAL middle . . 13 A 14 SER middle . . 14 A 15 LYS middle . . 15 A 16 CYS middle -HG . 16 A 17 GLN middle . . 17 A 18 LEU middle . . 18 A 19 ALA middle . . 19 A 20 ASN middle . . 20 A 21 GLN middle . . 21 A 22 CYS middle -HG . 22 A 23 ASN middle . . 23 A 24 TYR middle . . 24 A 25 ASP middle . . 25 A 26 CYS middle -HG . 26 A 27 LYS middle . . 27 A 28 LEU middle . . 28 A 29 ASP middle . . 29 A 30 LYS middle . . 30 A 31 HIS middle . . 31 A 32 ALA middle . . 32 A 33 ARG middle . . 33 A 34 SER middle . . 34 A 35 GLY middle . false 35 A 36 GLU middle . . 36 A 37 CYS middle -HG . 37 A 38 PHE middle . . 38 A 39 TYR middle . . 39 A 40 ASP middle . . 40 A 41 GLU middle . . 41 A 42 LYS middle . . 42 A 43 ARG middle . . 43 A 44 ASN middle . . 44 A 45 LEU middle . . 45 A 46 GLN middle . . 46 A 47 CYS middle -HG . 47 A 48 ILE middle . . 48 A 49 CYS middle -HG . 49 A 50 ASP middle . . 50 A 51 TYR middle . . 51 A 52 CYS middle -HG . 52 A 53 GLU middle . . 53 A 54 TYR end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 ASP HA H 1 4.193 . A 2 ASP HBy H 1 2.823 . A 2 ASP CA C 13 53.258 . A 2 ASP CB C 13 40.558 . A 3 LYS HA H 1 4.246 . A 3 LYS HBy H 1 1.844 . A 3 LYS HDy H 1 1.635 . A 3 LYS HEy H 1 2.988 . A 3 LYS HGy H 1 1.399 . A 3 LYS C C 13 176.970 . A 3 LYS CA C 13 57.314 . A 3 LYS CB C 13 32.511 . A 3 LYS CD C 13 29.173 . A 3 LYS CE C 13 42.063 . A 3 LYS CG C 13 24.689 . A 4 CYS H H 1 8.552 . A 4 CYS HA H 1 4.614 . A 4 CYS HBx H 1 2.95 . A 4 CYS HBy H 1 3.257 . A 4 CYS C C 13 174.336 . A 4 CYS CA C 13 57.281 . A 4 CYS CB C 13 41.329 . A 4 CYS N N 15 117.663 . A 5 LYS H H 1 8.067 . A 5 LYS HA H 1 5.519 . A 5 LYS HBx H 1 1.434 . A 5 LYS HBy H 1 1.703 . A 5 LYS HDy H 1 1.401 . A 5 LYS HEy H 1 2.800 . A 5 LYS HGx H 1 1.231 . A 5 LYS HGy H 1 1.266 . A 5 LYS C C 13 176.806 . A 5 LYS CA C 13 54.755 . A 5 LYS CB C 13 34.548 . A 5 LYS CD C 13 29.208 . A 5 LYS CE C 13 42.212 . A 5 LYS CG C 13 25.481 . A 5 LYS N N 15 118.468 . A 6 LYS H H 1 9.043 . A 6 LYS HA H 1 4.716 . A 6 LYS HBx H 1 1.791 . A 6 LYS HBy H 1 1.855 . A 6 LYS HDx H 1 1.401 . A 6 LYS HDy H 1 1.635 . A 6 LYS HEy H 1 2.716 . A 6 LYS HGx H 1 1.281 . A 6 LYS HGy H 1 1.399 . A 6 LYS C C 13 176.149 . A 6 LYS CA C 13 55.267 . A 6 LYS CB C 13 36.779 . A 6 LYS CD C 13 29.190 . A 6 LYS CE C 13 42.045 . A 6 LYS CG C 13 24.728 . A 6 LYS N N 15 121.028 . A 7 VAL H H 1 8.991 . A 7 VAL HA H 1 3.897 . A 7 VAL HB H 1 1.975 . A 7 VAL HGx% H 1 0.840 . A 7 VAL HGy% H 1 0.985 . A 7 VAL C C 13 175.013 . A 7 VAL CA C 13 63.816 . A 7 VAL CB C 13 33.142 . A 7 VAL CGx C 13 20.904 . A 7 VAL CGy C 13 22.784 . A 7 VAL N N 15 128.686 . A 8 TYR H H 1 9.265 . A 8 TYR HA H 1 4.371 . A 8 TYR HBx H 1 2.72 . A 8 TYR HBy H 1 3.05 . A 8 TYR HDy H 1 6.867 . A 8 TYR HEy H 1 6.794 . A 8 TYR C C 13 175.018 . A 8 TYR CA C 13 55.387 . A 8 TYR CB C 13 35.82 . A 8 TYR CDy C 13 132.758 . A 8 TYR CEy C 13 118.209 . A 8 TYR N N 15 129.909 . A 9 GLU H H 1 9.217 . A 9 GLU HA H 1 4.111 . A 9 GLU HBx H 1 1.948 . A 9 GLU HBy H 1 2.026 . A 9 GLU HGy H 1 2.359 . A 9 GLU C C 13 177.071 . A 9 GLU CA C 13 58.159 . A 9 GLU CB C 13 29.088 . A 9 GLU CG C 13 35.895 . A 9 GLU N N 15 131.262 . A 10 ASN H H 1 9.445 . A 10 ASN HA H 1 4.354 . A 10 ASN HBx H 1 3.000 . A 10 ASN HBy H 1 3.018 . A 10 ASN HD2x H 1 7.098 . A 10 ASN HD2y H 1 7.783 . A 10 ASN C C 13 174.465 . A 10 ASN CA C 13 54.501 . A 10 ASN CB C 13 37.072 . A 10 ASN N N 15 115.995 . A 10 ASN ND2 N 15 114.790 . A 11 TYR H H 1 7.533 . A 11 TYR HA H 1 4.108 . A 11 TYR HDx H 1 6.46 . A 11 TYR HEy H 1 6.42 . A 11 TYR HEx H 1 5.99 . A 11 TYR HH H 1 10.13 . A 11 TYR CA C 13 57.395 . A 11 TYR CB C 13 39.30 . A 11 TYR CDx C 13 134.1 . A 11 TYR CEx C 13 117.2 . A 11 TYR CEy C 13 117.3 . A 11 TYR N N 15 122.981 . A 12 PRO HA H 1 4.408 . A 12 PRO HBx H 1 1.707 . A 12 PRO HBy H 1 2.010 . A 12 PRO HDx H 1 2.080 . A 12 PRO HDy H 1 3.474 . A 12 PRO HGx H 1 1.584 . A 12 PRO HGy H 1 1.700 . A 12 PRO C C 13 176.771 . A 12 PRO CA C 13 62.008 . A 12 PRO CB C 13 30.318 . A 12 PRO CD C 13 50.427 . A 12 PRO CG C 13 27.598 . A 13 VAL H H 1 8.195 . A 13 VAL HA H 1 3.784 . A 13 VAL HB H 1 2.168 . A 13 VAL HGx% H 1 1.068 . A 13 VAL HGy% H 1 1.035 . A 13 VAL C C 13 178.748 . A 13 VAL CA C 13 65.650 . A 13 VAL CB C 13 31.465 . A 13 VAL CGy C 13 21.345 . A 13 VAL CGx C 13 20.472 . A 13 VAL N N 15 124.171 . A 14 SER H H 1 8.577 . A 14 SER HA H 1 4.092 . A 14 SER HBy H 1 3.774 . A 14 SER C C 13 177.862 . A 14 SER CA C 13 61.3 . A 14 SER CB C 13 61.302 . A 14 SER N N 15 118.320 . A 15 LYS H H 1 7.886 . A 15 LYS HA H 1 4.003 . A 15 LYS HBx H 1 1.824 . A 15 LYS HBy H 1 1.859 . A 15 LYS HDx H 1 1.263 . A 15 LYS HDy H 1 1.437 . A 15 LYS HEx H 1 2.560 . A 15 LYS HEy H 1 2.657 . A 15 LYS HGx H 1 1.161 . A 15 LYS HGy H 1 1.408 . A 15 LYS C C 13 178.744 . A 15 LYS CA C 13 59.710 . A 15 LYS CB C 13 31.387 . A 15 LYS CD C 13 29.472 . A 15 LYS CE C 13 41.528 . A 15 LYS CG C 13 26.886 . A 15 LYS N N 15 121.997 . A 16 CYS H H 1 7.848 . A 16 CYS HA H 1 4.700 . A 16 CYS HBy H 1 3.163 . A 16 CYS HBx H 1 2.969 . A 16 CYS C C 13 175.843 . A 16 CYS CA C 13 58.052 . A 16 CYS CB C 13 40.413 . A 16 CYS N N 15 115.824 . A 17 GLN H H 1 7.398 . A 17 GLN HA H 1 4.152 . A 17 GLN HBx H 1 1.941 . A 17 GLN HBy H 1 2.228 . A 17 GLN HE2x H 1 6.858 . A 17 GLN HE2y H 1 7.485 . A 17 GLN HGx H 1 2.337 . A 17 GLN HGy H 1 2.375 . A 17 GLN C C 13 175.310 . A 17 GLN CA C 13 56.249 . A 17 GLN CB C 13 28.656 . A 17 GLN CG C 13 33.742 . A 17 GLN N N 15 115.165 . A 17 GLN NE2 N 15 111.980 . A 18 LEU H H 1 7.354 . A 18 LEU HA H 1 4.483 . A 18 LEU HBx H 1 1.518 . A 18 LEU HBy H 1 1.894 . A 18 LEU HDx% H 1 0.820 . A 18 LEU HDy% H 1 0.877 . A 18 LEU HG H 1 1.616 . A 18 LEU C C 13 176.211 . A 18 LEU CA C 13 53.369 . A 18 LEU CB C 13 42.178 . A 18 LEU CDx C 13 23.144 . A 18 LEU CDy C 13 25.299 . A 18 LEU CG C 13 26.551 . A 18 LEU N N 15 121.702 . A 19 ALA H H 1 8.735 . A 19 ALA HA H 1 4.075 . A 19 ALA HB% H 1 1.323 . A 19 ALA C C 13 179.107 . A 19 ALA CA C 13 53.898 . A 19 ALA CB C 13 17.999 . A 19 ALA N N 15 128.501 . A 20 ASN H H 1 9.284 . A 20 ASN HA H 1 4.578 . A 20 ASN HBx H 1 2.731 . A 20 ASN HBy H 1 3.020 . A 20 ASN HD2x H 1 7.261 . A 20 ASN HD2y H 1 7.853 . A 20 ASN C C 13 174.900 . A 20 ASN CA C 13 55.138 . A 20 ASN CB C 13 39.323 . A 20 ASN N N 15 116.786 . A 20 ASN ND2 N 15 115.465 . A 21 GLN H H 1 7.696 . A 21 GLN HA H 1 3.777 . A 21 GLN HBx H 1 1.959 . A 21 GLN HBy H 1 2.420 . A 21 GLN HE2x H 1 6.769 . A 21 GLN HE2y H 1 8.042 . A 21 GLN HGx H 1 2.217 . A 21 GLN HGy H 1 2.605 . A 21 GLN C C 13 176.327 . A 21 GLN CA C 13 59.469 . A 21 GLN CB C 13 29.438 . A 21 GLN CG C 13 33.892 . A 21 GLN N N 15 123.178 . A 21 GLN NE2 N 15 117.839 . A 22 CYS H H 1 8.495 . A 22 CYS HA H 1 4.254 . A 22 CYS HBy H 1 2.808 . A 22 CYS HBx H 1 2.459 . A 22 CYS C C 13 175.955 . A 22 CYS CA C 13 58.392 . A 22 CYS CB C 13 38.574 . A 22 CYS N N 15 119.327 . A 23 ASN H H 1 8.224 . A 23 ASN HA H 1 3.765 . A 23 ASN HBx H 1 2.665 . A 23 ASN HBy H 1 3.020 . A 23 ASN HD2x H 1 7.005 . A 23 ASN HD2y H 1 7.669 . A 23 ASN C C 13 175.773 . A 23 ASN CA C 13 57.865 . A 23 ASN CB C 13 39.261 . A 23 ASN N N 15 119.489 . A 23 ASN ND2 N 15 113.908 . A 24 TYR H H 1 8.296 . A 24 TYR HA H 1 3.826 . A 24 TYR HBx H 1 3.120 . A 24 TYR HBy H 1 3.200 . A 24 TYR HDx H 1 7.19 . A 24 TYR HEx H 1 6.80 . A 24 TYR C C 13 178.310 . A 24 TYR CA C 13 61.740 . A 24 TYR CB C 13 38.57 . A 24 TYR CDx C 13 133.498 . A 24 TYR CEx C 13 118.311 . A 24 TYR N N 15 118.459 . A 25 ASP H H 1 9.105 . A 25 ASP HA H 1 4.604 . A 25 ASP HBx H 1 2.773 . A 25 ASP HBy H 1 3.163 . A 25 ASP C C 13 179.719 . A 25 ASP CA C 13 57.604 . A 25 ASP CB C 13 40.384 . A 25 ASP N N 15 119.944 . A 26 CYS H H 1 9.403 . A 26 CYS HA H 1 4.077 . A 26 CYS HBy H 1 2.822 . A 26 CYS HBx H 1 2.234 . A 26 CYS C C 13 177.789 . A 26 CYS CA C 13 60.528 . A 26 CYS CB C 13 36.640 . A 26 CYS N N 15 120.503 . A 27 LYS H H 1 7.652 . A 27 LYS HA H 1 4.003 . A 27 LYS HBy H 1 1.624 . A 27 LYS HDx H 1 1.476 . A 27 LYS HDy H 1 1.613 . A 27 LYS HEy H 1 2.877 . A 27 LYS HGx H 1 1.058 . A 27 LYS HGy H 1 1.358 . A 27 LYS C C 13 177.792 . A 27 LYS CA C 13 59.710 . A 27 LYS CB C 13 32.202 . A 27 LYS CD C 13 29.808 . A 27 LYS CE C 13 41.261 . A 27 LYS CG C 13 24.263 . A 27 LYS N N 15 119.866 . A 28 LEU H H 1 8.129 . A 28 LEU HA H 1 4.021 . A 28 LEU HBx H 1 1.335 . A 28 LEU HBy H 1 1.643 . A 28 LEU HDx% H 1 0.767 . A 28 LEU HDy% H 1 0.844 . A 28 LEU HG H 1 1.503 . A 28 LEU C C 13 178.369 . A 28 LEU CA C 13 57.501 . A 28 LEU CB C 13 42.271 . A 28 LEU CDx C 13 23.663 . A 28 LEU CDy C 13 24.840 . A 28 LEU CG C 13 27.410 . A 28 LEU N N 15 119.921 . A 29 ASP H H 1 9.053 . A 29 ASP HA H 1 4.383 . A 29 ASP HBx H 1 2.777 . A 29 ASP HBy H 1 2.945 . A 29 ASP C C 13 178.274 . A 29 ASP CA C 13 56.076 . A 29 ASP CB C 13 40.360 . A 29 ASP N N 15 117.215 . A 30 LYS H H 1 6.601 . A 30 LYS HA H 1 4.445 . A 30 LYS HBx H 1 2.257 . A 30 LYS HBy H 1 2.310 . A 30 LYS HDy H 1 1.175 . A 30 LYS HEx H 1 1.313 . A 30 LYS HEy H 1 2.095 . A 30 LYS HGx H 1 0.849 . A 30 LYS HGy H 1 1.190 . A 30 LYS C C 13 176.629 . A 30 LYS CA C 13 52.979 . A 30 LYS CB C 13 31.678 . A 30 LYS CD C 13 27.665 . A 30 LYS CE C 13 41.020 . A 30 LYS CG C 13 24.756 . A 30 LYS N N 15 111.912 . A 31 HIS H H 1 6.937 . A 31 HIS HA H 1 4.560 . A 31 HIS HBx H 1 3.446 . A 31 HIS HBy H 1 3.524 . A 31 HIS HD2 H 1 7.18 . A 31 HIS HE1 H 1 8.566 . A 31 HIS C C 13 174.202 . A 31 HIS CA C 13 56.134 . A 31 HIS CB C 13 25.61 . A 31 HIS CD2 C 13 119.396 . A 31 HIS CE1 C 13 136.139 . A 31 HIS N N 15 112.584 . A 32 ALA H H 1 7.639 . A 32 ALA HA H 1 4.053 . A 32 ALA HB% H 1 0.477 . A 32 ALA C C 13 175.340 . A 32 ALA CA C 13 50.608 . A 32 ALA CB C 13 18.912 . A 32 ALA N N 15 120.390 . A 33 ARG H H 1 8.270 . A 33 ARG HA H 1 4.091 . A 33 ARG HBx H 1 1.174 . A 33 ARG HBy H 1 1.386 . A 33 ARG HDx H 1 2.085 . A 33 ARG HDy H 1 2.371 . A 33 ARG HE H 1 6.983 . A 33 ARG HGx H 1 1.187 . A 33 ARG HGy H 1 1.384 . A 33 ARG C C 13 176.630 . A 33 ARG CA C 13 57.938 . A 33 ARG CB C 13 30.555 . A 33 ARG CD C 13 43.136 . A 33 ARG CG C 13 27.780 . A 33 ARG N N 15 116.855 . A 33 ARG NE N 15 84.54 . A 34 SER H H 1 8.073 . A 34 SER HA H 1 4.563 . A 34 SER HBx H 1 3.923 . A 34 SER HBy H 1 4.116 . A 34 SER C C 13 173.047 . A 34 SER CA C 13 57.747 . A 34 SER CB C 13 65.477 . A 34 SER N N 15 109.872 . A 35 GLY H H 1 8.869 . A 35 GLY HAy H 1 4.773 . A 35 GLY HAx H 1 3.957 . A 35 GLY C C 13 170.741 . A 35 GLY CA C 13 46.918 . A 35 GLY N N 15 107.697 . A 36 GLU H H 1 8.226 . A 36 GLU HA H 1 4.152 . A 36 GLU HBx H 1 1.779 . A 36 GLU HBy H 1 1.999 . A 36 GLU HGx H 1 1.88 . A 36 GLU HGy H 1 1.957 . A 36 GLU C C 13 173.995 . A 36 GLU CA C 13 55.491 . A 36 GLU CB C 13 32.274 . A 36 GLU CG C 13 34.611 . A 36 GLU N N 15 118.971 . A 37 CYS H H 1 8.851 . A 37 CYS HA H 1 6.114 . A 37 CYS HBy H 1 3.631 . A 37 CYS HBx H 1 2.434 . A 37 CYS C C 13 173.692 . A 37 CYS CA C 13 56.316 . A 37 CYS CB C 13 45.938 . A 37 CYS N N 15 120.679 . A 38 PHE H H 1 9.072 . A 38 PHE HA H 1 4.675 . A 38 PHE HBx H 1 2.63 . A 38 PHE HBy H 1 3.093 . A 38 PHE HDx H 1 7.19 . A 38 PHE HEx H 1 7.31 . A 38 PHE HZ H 1 7.128 . A 38 PHE C C 13 175.480 . A 38 PHE CA C 13 56.738 . A 38 PHE CB C 13 43.78 . A 38 PHE CDx C 13 132.478 . A 38 PHE CEx C 13 131.414 . A 38 PHE CZ C 13 129.495 . A 38 PHE N N 15 120.484 . A 39 TYR H H 1 9.002 . A 39 TYR HA H 1 4.788 . A 39 TYR HBy H 1 2.853 . A 39 TYR HDy H 1 6.85 . A 39 TYR HEy H 1 6.75 . A 39 TYR C C 13 176.738 . A 39 TYR CA C 13 58.938 . A 39 TYR CB C 13 40.26 . A 39 TYR CDy C 13 132.859 . A 39 TYR CEy C 13 118.519 . A 39 TYR N N 15 122.666 . A 40 ASP H H 1 8.707 . A 40 ASP HA H 1 4.688 . A 40 ASP HBx H 1 2.825 . A 40 ASP HBy H 1 3.334 . A 40 ASP C C 13 178.719 . A 40 ASP CA C 13 52.230 . A 40 ASP CB C 13 40.964 . A 40 ASP N N 15 123.525 . A 41 GLU H H 1 9.098 . A 41 GLU HA H 1 4.149 . A 41 GLU HBy H 1 2.094 . A 41 GLU HGy H 1 2.359 . A 41 GLU C C 13 177.487 . A 41 GLU CA C 13 58.920 . A 41 GLU CB C 13 28.653 . A 41 GLU CG C 13 35.895 . A 41 GLU N N 15 118.054 . A 42 LYS H H 1 8.104 . A 42 LYS HA H 1 4.371 . A 42 LYS HBx H 1 1.771 . A 42 LYS HBy H 1 2.026 . A 42 LYS HDy H 1 1.625 . A 42 LYS HEy H 1 2.946 . A 42 LYS HGx H 1 1.316 . A 42 LYS HGy H 1 1.403 . A 42 LYS C C 13 175.319 . A 42 LYS CA C 13 55.387 . A 42 LYS CB C 13 31.935 . A 42 LYS CD C 13 28.922 . A 42 LYS CE C 13 42.071 . A 42 LYS CG C 13 25.392 . A 42 LYS N N 15 120.287 . A 43 ARG H H 1 8.305 . A 43 ARG HA H 1 3.574 . A 43 ARG HBy H 1 2.039 . A 43 ARG HDy H 1 2.946 . A 43 ARG HE H 1 6.906 . A 43 ARG HGx H 1 1.408 . A 43 ARG HGy H 1 1.495 . A 43 ARG C C 13 174.823 . A 43 ARG CA C 13 57.119 . A 43 ARG CB C 13 25.584 . A 43 ARG CD C 13 42.071 . A 43 ARG CG C 13 26.567 . A 43 ARG N N 15 113.150 . A 43 ARG NE N 15 82.79 . A 44 ASN H H 1 8.771 . A 44 ASN HA H 1 4.954 . A 44 ASN HBx H 1 2.583 . A 44 ASN HBy H 1 2.90 . A 44 ASN HD2x H 1 7.142 . A 44 ASN HD2y H 1 8.343 . A 44 ASN C C 13 174.806 . A 44 ASN CA C 13 52.653 . A 44 ASN CB C 13 39.081 . A 44 ASN N N 15 118.284 . A 44 ASN ND2 N 15 117.682 . A 45 LEU H H 1 8.740 . A 45 LEU HA H 1 4.040 . A 45 LEU HBx H 1 1.167 . A 45 LEU HBy H 1 1.475 . A 45 LEU HDx% H 1 0.140 . A 45 LEU HDy% H 1 0.338 . A 45 LEU HG H 1 1.213 . A 45 LEU C C 13 175.554 . A 45 LEU CA C 13 55.030 . A 45 LEU CB C 13 42.855 . A 45 LEU CDx C 13 22.714 . A 45 LEU CDy C 13 25.128 . A 45 LEU CG C 13 26.435 . A 45 LEU N N 15 126.852 . A 46 GLN H H 1 8.462 . A 46 GLN HA H 1 4.640 . A 46 GLN HBx H 1 1.844 . A 46 GLN HBy H 1 2.004 . A 46 GLN HE2x H 1 6.822 . A 46 GLN HE2y H 1 7.604 . A 46 GLN HGy H 1 2.273 . A 46 GLN C C 13 174.603 . A 46 GLN CA C 13 53.797 . A 46 GLN CB C 13 32.400 . A 46 GLN CG C 13 33.132 . A 46 GLN N N 15 120.892 . A 46 GLN NE2 N 15 111.269 . A 47 CYS H H 1 9.292 . A 47 CYS HA H 1 4.754 . A 47 CYS HBy H 1 2.488 . A 47 CYS HBx H 1 1.611 . A 47 CYS C C 13 171.892 . A 47 CYS CA C 13 55.011 . A 47 CYS CB C 13 38.063 . A 47 CYS N N 15 122.189 . A 48 ILE H H 1 8.724 . A 48 ILE HA H 1 4.270 . A 48 ILE HB H 1 2.175 . A 48 ILE HD1% H 1 0.711 . A 48 ILE HG1y H 1 1.584 . A 48 ILE HG1x H 1 1.159 . A 48 ILE HG2% H 1 0.714 . A 48 ILE C C 13 175.922 . A 48 ILE CA C 13 60.331 . A 48 ILE CB C 13 37.963 . A 48 ILE CD1 C 13 12.014 . A 48 ILE CG1 C 13 27.577 . A 48 ILE CG2 C 13 18.044 . A 48 ILE N N 15 129.091 . A 49 CYS H H 1 8.457 . A 49 CYS HA H 1 5.228 . A 49 CYS HBy H 1 2.628 . A 49 CYS HBx H 1 2.513 . A 49 CYS C C 13 172.511 . A 49 CYS CA C 13 51.590 . A 49 CYS CB C 13 35.534 . A 49 CYS N N 15 126.727 . A 50 ASP H H 1 8.896 . A 50 ASP HA H 1 5.510 . A 50 ASP HBx H 1 2.264 . A 50 ASP HBy H 1 3.099 . A 50 ASP C C 13 176.217 . A 50 ASP CA C 13 52.083 . A 50 ASP CB C 13 42.870 . A 50 ASP N N 15 122.574 . A 51 TYR H H 1 9.819 . A 51 TYR HA H 1 4.116 . A 51 TYR HBx H 1 2.846 . A 51 TYR HBy H 1 3.396 . A 51 TYR HDy H 1 7.30 . A 51 TYR HEy H 1 6.68 . A 51 TYR C C 13 175.491 . A 51 TYR CA C 13 59.295 . A 51 TYR CB C 13 38.54 . A 51 TYR CDy C 13 133.515 . A 51 TYR CEy C 13 118.041 . A 51 TYR N N 15 125.641 . A 52 CYS H H 1 9.70 . A 52 CYS HA H 1 4.372 . A 52 CYS HBx H 1 3.065 . A 52 CYS HBy H 1 3.492 . A 52 CYS C C 13 173.129 . A 52 CYS CA C 13 55.025 . A 52 CYS CB C 13 44.241 . A 52 CYS N N 15 121.04 . A 53 GLU H H 1 8.466 . A 53 GLU HA H 1 4.265 . A 53 GLU HBx H 1 1.683 . A 53 GLU HBy H 1 1.957 . A 53 GLU HGx H 1 2.109 . A 53 GLU HGy H 1 2.230 . A 53 GLU C C 13 174.253 . A 53 GLU CA C 13 55.200 . A 53 GLU CB C 13 31.198 . A 53 GLU CG C 13 35.452 . A 53 GLU N N 15 121.628 . A 54 TYR H H 1 7.982 . A 54 TYR HA H 1 4.076 . A 54 TYR HBx H 1 2.653 . A 54 TYR HBy H 1 3.111 . A 54 TYR HDy H 1 7.14 . A 54 TYR HEy H 1 6.78 . A 54 TYR CA C 13 59.695 . A 54 TYR CB C 13 39.40 . A 54 TYR CDy C 13 133.388 . A 54 TYR CEy C 13 117.793 . A 54 TYR N N 15 125.914 . 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 2 ASP C A 3 LYS N A 3 LYS CA A 3 LYS C 1.0 -80.0 -48.0 PHI 2 2 A 3 LYS C A 4 CYS N A 4 CYS CA A 4 CYS C 1.0 -121.0 -65.0 PHI 3 3 A 4 CYS C A 5 LYS N A 5 LYS CA A 5 LYS C 1.0 -179.0 -59.0 PHI 4 4 A 5 LYS C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -152.0 -108.0 PHI 5 5 A 6 LYS C A 7 VAL N A 7 VAL CA A 7 VAL C 1.0 -139.0 -71.0 PHI 6 6 A 7 VAL C A 8 TYR N A 8 TYR CA A 8 TYR C 1.0 -142.0 -66.0 PHI 7 7 A 9 GLU C A 10 ASN N A 10 ASN CA A 10 ASN C 1.0 35.0 91.0 PHI 8 8 A 10 ASN C A 11 TYR N A 11 TYR CA A 11 TYR C 1.0 -99.0 -51.0 PHI 9 9 A 11 TYR C A 12 PRO N A 12 PRO CA A 12 PRO C 1.0 -85.0 -41.0 PHI 10 10 A 12 PRO C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -67.0 -43.0 PHI 11 11 A 13 VAL C A 14 SER N A 14 SER CA A 14 SER C 1.0 -77.0 -53.0 PHI 12 12 A 14 SER C A 15 LYS N A 15 LYS CA A 15 LYS C 1.0 -70.0 -58.0 PHI 13 13 A 15 LYS C A 16 CYS N A 16 CYS CA A 16 CYS C 1.0 -88.0 -48.0 PHI 14 14 A 16 CYS C A 17 GLN N A 17 GLN CA A 17 GLN C 1.0 -109.0 -69.0 PHI 15 15 A 17 GLN C A 18 LEU N A 18 LEU CA A 18 LEU C 1.0 -166.0 -50.0 PHI 16 16 A 18 LEU C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -75.0 -43.0 PHI 17 17 A 19 ALA C A 20 ASN N A 20 ASN CA A 20 ASN C 1.0 -84.0 -52.0 PHI 18 18 A 20 ASN C A 21 GLN N A 21 GLN CA A 21 GLN C 1.0 -77.0 -53.0 PHI 19 19 A 21 GLN C A 22 CYS N A 22 CYS CA A 22 CYS C 1.0 -67.0 -51.0 PHI 20 20 A 22 CYS C A 23 ASN N A 23 ASN CA A 23 ASN C 1.0 -72.0 -48.0 PHI 21 21 A 23 ASN C A 24 TYR N A 24 TYR CA A 24 TYR C 1.0 -71.0 -51.0 PHI 22 22 A 24 TYR C A 25 ASP N A 25 ASP CA A 25 ASP C 1.0 -76.0 -56.0 PHI 23 23 A 25 ASP C A 26 CYS N A 26 CYS CA A 26 CYS C 1.0 -73.0 -53.0 PHI 24 24 A 26 CYS C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -81.0 -49.0 PHI 25 25 A 27 LYS C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -75.0 -55.0 PHI 26 26 A 28 LEU C A 29 ASP N A 29 ASP CA A 29 ASP C 1.0 -94.0 -46.0 PHI 27 27 A 29 ASP C A 30 LYS N A 30 LYS CA A 30 LYS C 1.0 -131.0 -75.0 PHI 28 28 A 30 LYS C A 31 HIS N A 31 HIS CA A 31 HIS C 1.0 14.0 110.0 PHI 29 29 A 32 ALA C A 33 ARG N A 33 ARG CA A 33 ARG C 1.0 -112.0 -40.0 PHI 30 30 A 33 ARG C A 34 SER N A 34 SER CA A 34 SER C 1.0 -122.0 -78.0 PHI 31 31 A 34 SER C A 35 GLY N A 35 GLY CA A 35 GLY C 1.0 37.0 129.0 PHI 32 32 A 35 GLY C A 36 GLU N A 36 GLU CA A 36 GLU C 1.0 -131.0 -63.0 PHI 33 33 A 36 GLU C A 37 CYS N A 37 CYS CA A 37 CYS C 1.0 -152.0 -84.0 PHI 34 34 A 37 CYS C A 38 PHE N A 38 PHE CA A 38 PHE C 1.0 -146.0 -118.0 PHI 35 35 A 38 PHE C A 39 TYR N A 39 TYR CA A 39 TYR C 1.0 -122.0 -54.0 PHI 36 36 A 39 TYR C A 40 ASP N A 40 ASP CA A 40 ASP C 1.0 -103.0 -67.0 PHI 37 37 A 40 ASP C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -79.0 -43.0 PHI 38 38 A 41 GLU C A 42 LYS N A 42 LYS CA A 42 LYS C 1.0 -117.0 -69.0 PHI 39 39 A 42 LYS C A 43 ARG N A 43 ARG CA A 43 ARG C 1.0 44.0 72.0 PHI 40 40 A 43 ARG C A 44 ASN N A 44 ASN CA A 44 ASN C 1.0 -112.0 -68.0 PHI 41 41 A 44 ASN C A 45 LEU N A 45 LEU CA A 45 LEU C 1.0 -131.0 -59.0 PHI 42 42 A 45 LEU C A 46 GLN N A 46 GLN CA A 46 GLN C 1.0 -143.0 -83.0 PHI 43 43 A 46 GLN C A 47 CYS N A 47 CYS CA A 47 CYS C 1.0 -161.0 -61.0 PHI 44 44 A 47 CYS C A 48 ILE N A 48 ILE CA A 48 ILE C 1.0 -123.0 -83.0 PHI 45 45 A 48 ILE C A 49 CYS N A 49 CYS CA A 49 CYS C 1.0 -154.0 -50.0 PHI 46 46 A 49 CYS C A 50 ASP N A 50 ASP CA A 50 ASP C 1.0 -166.0 -58.0 PHI 47 47 A 50 ASP C A 51 TYR N A 51 TYR CA A 51 TYR C 1.0 -113.0 -53.0 PHI 48 48 A 51 TYR C A 52 CYS N A 52 CYS CA A 52 CYS C 1.0 -182.0 -62.0 PHI 49 49 A 52 CYS C A 53 GLU N A 53 GLU CA A 53 GLU C 1.0 -157.0 -57.0 PHI 50 50 A 2 ASP N A 2 ASP CA A 2 ASP C A 3 LYS N 1.0 66.0 194.0 PSI 51 51 A 3 LYS N A 3 LYS CA A 3 LYS C A 4 CYS N 1.0 -53.0 11.0 PSI 52 52 A 4 CYS N A 4 CYS CA A 4 CYS C A 5 LYS N 1.0 -61.0 43.0 PSI 53 53 A 5 LYS N A 5 LYS CA A 5 LYS C A 6 LYS N 1.0 118.0 182.0 PSI 54 54 A 6 LYS N A 6 LYS CA A 6 LYS C A 7 VAL N 1.0 108.0 160.0 PSI 55 55 A 7 VAL N A 7 VAL CA A 7 VAL C A 8 TYR N 1.0 112.0 140.0 PSI 56 56 A 8 TYR N A 8 TYR CA A 8 TYR C A 9 GLU N 1.0 97.0 141.0 PSI 57 57 A 10 ASN N A 10 ASN CA A 10 ASN C A 11 TYR N 1.0 -39.0 101.0 PSI 58 58 A 11 TYR N A 11 TYR CA A 11 TYR C A 12 PRO N 1.0 111.0 147.0 PSI 59 59 A 12 PRO N A 12 PRO CA A 12 PRO C A 13 VAL N 1.0 95.0 179.0 PSI 60 60 A 13 VAL N A 13 VAL CA A 13 VAL C A 14 SER N 1.0 -63.0 -15.0 PSI 61 61 A 14 SER N A 14 SER CA A 14 SER C A 15 LYS N 1.0 -52.0 -32.0 PSI 62 62 A 15 LYS N A 15 LYS CA A 15 LYS C A 16 CYS N 1.0 -54.0 -30.0 PSI 63 63 A 16 CYS N A 16 CYS CA A 16 CYS C A 17 GLN N 1.0 -48.0 -8.0 PSI 64 64 A 17 GLN N A 17 GLN CA A 17 GLN C A 18 LEU N 1.0 -43.0 29.0 PSI 65 65 A 18 LEU N A 18 LEU CA A 18 LEU C A 19 ALA N 1.0 55.0 179.0 PSI 66 66 A 19 ALA N A 19 ALA CA A 19 ALA C A 20 ASN N 1.0 -45.0 -9.0 PSI 67 67 A 20 ASN N A 20 ASN CA A 20 ASN C A 21 GLN N 1.0 -61.0 7.0 PSI 68 68 A 21 GLN N A 21 GLN CA A 21 GLN C A 22 CYS N 1.0 -59.0 -31.0 PSI 69 69 A 22 CYS N A 22 CYS CA A 22 CYS C A 23 ASN N 1.0 -56.0 -24.0 PSI 70 70 A 23 ASN N A 23 ASN CA A 23 ASN C A 24 TYR N 1.0 -49.0 -33.0 PSI 71 71 A 24 TYR N A 24 TYR CA A 24 TYR C A 25 ASP N 1.0 -60.0 -32.0 PSI 72 72 A 25 ASP N A 25 ASP CA A 25 ASP C A 26 CYS N 1.0 -54.0 -30.0 PSI 73 73 A 26 CYS N A 26 CYS CA A 26 CYS C A 27 LYS N 1.0 -50.0 -30.0 PSI 74 74 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 LEU N 1.0 -50.0 -26.0 PSI 75 75 A 28 LEU N A 28 LEU CA A 28 LEU C A 29 ASP N 1.0 -55.0 -27.0 PSI 76 76 A 29 ASP N A 29 ASP CA A 29 ASP C A 30 LYS N 1.0 -55.0 -11.0 PSI 77 77 A 30 LYS N A 30 LYS CA A 30 LYS C A 31 HIS N 1.0 -19.0 33.0 PSI 78 78 A 31 HIS N A 31 HIS CA A 31 HIS C A 32 ALA N 1.0 2.0 70.0 PSI 79 79 A 33 ARG N A 33 ARG CA A 33 ARG C A 34 SER N 1.0 -63.0 13.0 PSI 80 80 A 34 SER N A 34 SER CA A 34 SER C A 35 GLY N 1.0 -44.0 44.0 PSI 81 81 A 35 GLY N A 35 GLY CA A 35 GLY C A 36 GLU N 1.0 -20.0 52.0 PSI 82 82 A 36 GLU N A 36 GLU CA A 36 GLU C A 37 CYS N 1.0 101.0 201.0 PSI 83 83 A 37 CYS N A 37 CYS CA A 37 CYS C A 38 PHE N 1.0 107.0 151.0 PSI 84 84 A 38 PHE N A 38 PHE CA A 38 PHE C A 39 TYR N 1.0 116.0 184.0 PSI 85 85 A 39 TYR N A 39 TYR CA A 39 TYR C A 40 ASP N 1.0 106.0 162.0 PSI 86 86 A 40 ASP N A 40 ASP CA A 40 ASP C A 41 GLU N 1.0 115.0 223.0 PSI 87 87 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 LYS N 1.0 -52.0 16.0 PSI 88 88 A 42 LYS N A 42 LYS CA A 42 LYS C A 43 ARG N 1.0 3.0 27.0 PSI 89 89 A 43 ARG N A 43 ARG CA A 43 ARG C A 44 ASN N 1.0 19.0 51.0 PSI 90 90 A 44 ASN N A 44 ASN CA A 44 ASN C A 45 LEU N 1.0 115.0 151.0 PSI 91 91 A 45 LEU N A 45 LEU CA A 45 LEU C A 46 GLN N 1.0 110.0 154.0 PSI 92 92 A 46 GLN N A 46 GLN CA A 46 GLN C A 47 CYS N 1.0 111.0 183.0 PSI 93 93 A 47 CYS N A 47 CYS CA A 47 CYS C A 48 ILE N 1.0 86.0 162.0 PSI 94 94 A 48 ILE N A 48 ILE CA A 48 ILE C A 49 CYS N 1.0 96.0 148.0 PSI 95 95 A 49 CYS N A 49 CYS CA A 49 CYS C A 50 ASP N 1.0 86.0 178.0 PSI 96 96 A 50 ASP N A 50 ASP CA A 50 ASP C A 51 TYR N 1.0 111.0 167.0 PSI 97 97 A 51 TYR N A 51 TYR CA A 51 TYR C A 52 CYS N 1.0 75.0 179.0 PSI 98 98 A 52 CYS N A 52 CYS CA A 52 CYS C A 53 GLU N 1.0 122.0 190.0 PSI 99 99 A 53 GLU N A 53 GLU CA A 53 GLU C A 54 TYR N 1.0 79.0 183.0 PSI stop_ save_