data_nef_c19486_2mdg 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 55 HIS NE2 2 2 ZN ZN 1 26 HIS NE2 2 1 ZN ZN 1 51 HIS NE2 2 2 ZN ZN 1 22 HIS NE2 2 1 ZN ZN 1 9 CYS SG 2 1 ZN ZN 1 35 CYS SG 2 2 ZN ZN 1 6 CYS SG 2 1 ZN ZN 1 38 CYS SG 2 2 ZN ZN stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 GLY middle . false 3 A 3 SER middle . . 4 A 4 HIS middle . . 5 A 5 LYS middle . . 6 A 6 CYS middle -HG . 7 A 7 ASN middle . . 8 A 8 VAL middle . . 9 A 9 CYS middle -HG . 10 A 10 SER middle . . 11 A 11 ARG middle . . 12 A 12 THR middle . . 13 A 13 PHE middle . . 14 A 14 PHE middle . . 15 A 15 SER middle . . 16 A 16 GLU middle . . 17 A 17 ASN middle . . 18 A 18 GLY middle . false 19 A 19 LEU middle . . 20 A 20 ARG middle . . 21 A 21 GLU middle . . 22 A 22 HIS middle -HE2 . 23 A 23 LEU middle . . 24 A 24 GLN middle . . 25 A 25 THR middle . . 26 A 26 HIS middle -HE2 . 27 A 27 ARG middle . . 28 A 28 GLY middle . false 29 A 29 PRO middle . false 30 A 30 ALA middle . . 31 A 31 LYS middle . . 32 A 32 HIS middle . . 33 A 33 TYR middle . . 34 A 34 MET middle . . 35 A 35 CYS middle -HG . 36 A 36 PRO middle . false 37 A 37 ILE middle . . 38 A 38 CYS middle -HG . 39 A 39 GLY middle . false 40 A 40 GLU middle . . 41 A 41 ARG middle . . 42 A 42 PHE middle . . 43 A 43 PRO middle . false 44 A 44 SER middle . . 45 A 45 LEU middle . . 46 A 46 LEU middle . . 47 A 47 THR middle . . 48 A 48 LEU middle . . 49 A 49 THR middle . . 50 A 50 GLU middle . . 51 A 51 HIS middle -HE2 . 52 A 52 LYS middle . . 53 A 53 VAL middle . . 54 A 54 THR middle . . 55 A 55 HIS end -HE2 . 56 B 1 ZN . . . 57 B 2 ZN . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.465 0.002 A 1 MET HBy H 1 2.012 0.007 A 1 MET HBx H 1 1.901 0.013 A 1 MET HGy H 1 2.497 0.001 A 1 MET HGx H 1 2.432 0.003 A 1 MET C C 13 174.830 0.000 A 1 MET CA C 13 55.337 0.080 A 1 MET CB C 13 33.168 0.050 A 1 MET CG C 13 31.961 0.043 A 2 GLY H H 1 8.216 0.002 A 2 GLY HAy H 1 3.707 0.006 A 2 GLY HAx H 1 3.500 0.005 A 2 GLY C C 13 169.148 0.000 A 2 GLY CA C 13 45.079 0.049 A 2 GLY N N 15 110.487 0.022 A 3 SER H H 1 7.996 0.011 A 3 SER HA H 1 4.357 0.010 A 3 SER HB2 H 1 3.628 0.002 A 3 SER HB3 H 1 3.628 0.002 A 3 SER C C 13 169.812 0.000 A 3 SER CA C 13 58.382 0.195 A 3 SER CB C 13 64.088 0.082 A 3 SER N N 15 114.424 0.018 A 4 HIS H H 1 8.315 0.003 A 4 HIS HA H 1 4.608 0.006 A 4 HIS HB2 H 1 2.953 0.006 A 4 HIS HB3 H 1 2.851 0.008 A 4 HIS C C 13 170.682 0.000 A 4 HIS CA C 13 55.362 0.072 A 4 HIS CB C 13 30.816 0.048 A 4 HIS N N 15 122.476 0.030 A 5 LYS H H 1 8.655 0.010 A 5 LYS HA H 1 4.755 0.010 A 5 LYS HBy H 1 1.717 0.013 A 5 LYS HBx H 1 1.520 0.008 A 5 LYS HD2 H 1 1.549 0.011 A 5 LYS HD3 H 1 1.549 0.011 A 5 LYS HE2 H 1 2.886 0.003 A 5 LYS HE3 H 1 2.886 0.003 A 5 LYS HG2 H 1 1.143 0.006 A 5 LYS HG3 H 1 1.143 0.006 A 5 LYS C C 13 172.684 0.000 A 5 LYS CA C 13 55.663 0.090 A 5 LYS CB C 13 35.248 0.059 A 5 LYS CD C 13 29.584 0.157 A 5 LYS CE C 13 41.994 0.087 A 5 LYS CG C 13 24.425 0.081 A 5 LYS N N 15 125.975 0.028 A 6 CYS H H 1 9.046 0.014 A 6 CYS HA H 1 4.456 0.005 A 6 CYS HB2 H 1 2.801 0.012 A 6 CYS HB3 H 1 3.377 0.005 A 6 CYS C C 13 175.723 0.000 A 6 CYS CA C 13 60.218 0.086 A 6 CYS CB C 13 29.713 0.053 A 6 CYS N N 15 127.588 0.032 A 7 ASN H H 1 9.075 0.006 A 7 ASN HA H 1 4.608 0.004 A 7 ASN HBy H 1 2.915 0.002 A 7 ASN HBx H 1 2.862 0.006 A 7 ASN C C 13 172.781 0.000 A 7 ASN CA C 13 55.018 0.061 A 7 ASN CB C 13 38.141 0.044 A 7 ASN N N 15 128.450 0.038 A 8 VAL H H 1 9.223 0.013 A 8 VAL HA H 1 3.805 0.006 A 8 VAL HB H 1 1.250 0.008 A 8 VAL HG1% H 1 0.700 0.004 A 8 VAL HG2% H 1 0.288 0.012 A 8 VAL C C 13 176.694 0.000 A 8 VAL CA C 13 65.026 0.096 A 8 VAL CB C 13 32.962 0.051 A 8 VAL CG1 C 13 20.946 0.044 A 8 VAL CG2 C 13 20.359 0.036 A 8 VAL N N 15 123.473 0.036 A 9 CYS H H 1 8.457 0.005 A 9 CYS HA H 1 5.159 0.006 A 9 CYS HBy H 1 3.462 0.013 A 9 CYS HBx H 1 2.800 0.008 A 9 CYS C C 13 173.754 0.000 A 9 CYS CA C 13 58.452 0.066 A 9 CYS CB C 13 32.344 0.089 A 9 CYS N N 15 118.379 0.023 A 10 SER H H 1 7.910 0.008 A 10 SER HA H 1 4.260 0.006 A 10 SER HBy H 1 4.243 0.009 A 10 SER HBx H 1 3.995 0.009 A 10 SER C C 13 169.209 0.000 A 10 SER CA C 13 61.286 0.086 A 10 SER CB C 13 62.173 0.089 A 10 SER N N 15 114.054 0.032 A 11 ARG H H 1 8.047 0.015 A 11 ARG HA H 1 4.078 0.005 A 11 ARG HB2 H 1 1.375 0.024 A 11 ARG HB3 H 1 1.375 0.024 A 11 ARG HDy H 1 3.159 0.009 A 11 ARG HDx H 1 2.922 0.008 A 11 ARG HG2 H 1 1.896 0.005 A 11 ARG HG3 H 1 1.896 0.005 A 11 ARG C C 13 172.193 0.000 A 11 ARG CA C 13 57.889 0.060 A 11 ARG CB C 13 31.569 0.061 A 11 ARG CD C 13 43.644 0.110 A 11 ARG CG C 13 28.402 0.052 A 11 ARG N N 15 122.514 0.029 A 12 THR H H 1 7.716 0.006 A 12 THR HA H 1 4.896 0.001 A 12 THR HB H 1 3.773 0.006 A 12 THR HG2% H 1 0.946 0.003 A 12 THR C C 13 168.910 0.000 A 12 THR CA C 13 60.396 0.080 A 12 THR CB C 13 71.239 0.043 A 12 THR CG2 C 13 21.860 0.141 A 12 THR N N 15 111.399 0.029 A 13 PHE H H 1 8.527 0.011 A 13 PHE HA H 1 4.440 0.001 A 13 PHE HBy H 1 3.407 0.007 A 13 PHE HBx H 1 2.655 0.005 A 13 PHE C C 13 173.256 0.000 A 13 PHE CA C 13 57.579 0.099 A 13 PHE CB C 13 43.109 0.091 A 13 PHE N N 15 118.814 0.048 A 14 PHE H H 1 8.975 0.003 A 14 PHE HA H 1 4.800 0.001 A 14 PHE HBy H 1 3.399 0.004 A 14 PHE HBx H 1 3.091 0.003 A 14 PHE C C 13 173.255 0.000 A 14 PHE CA C 13 59.206 0.085 A 14 PHE CB C 13 39.436 0.065 A 14 PHE N N 15 119.476 0.039 A 15 SER H H 1 7.813 0.009 A 15 SER HA H 1 4.573 0.006 A 15 SER HBy H 1 4.148 0.002 A 15 SER HBx H 1 3.915 0.004 A 15 SER C C 13 169.172 0.000 A 15 SER CA C 13 55.948 0.016 A 15 SER CB C 13 67.029 0.121 A 15 SER N N 15 111.316 0.023 A 16 GLU H H 1 8.755 0.003 A 16 GLU HA H 1 3.420 0.007 A 16 GLU HB2 H 1 1.829 0.012 A 16 GLU HB3 H 1 1.829 0.012 A 16 GLU HG2 H 1 2.113 0.003 A 16 GLU HG3 H 1 2.113 0.003 A 16 GLU C C 13 179.932 0.000 A 16 GLU CA C 13 59.294 0.116 A 16 GLU CB C 13 29.038 0.193 A 16 GLU CG C 13 36.446 0.008 A 16 GLU N N 15 123.055 0.031 A 17 ASN H H 1 8.548 0.004 A 17 ASN HA H 1 4.285 0.005 A 17 ASN HB2 H 1 2.686 0.008 A 17 ASN HB3 H 1 2.686 0.008 A 17 ASN C C 13 177.403 0.000 A 17 ASN CA C 13 56.444 0.074 A 17 ASN CB C 13 37.954 0.076 A 17 ASN N N 15 117.537 0.026 A 18 GLY H H 1 8.038 0.010 A 18 GLY HA2 H 1 3.724 0.015 A 18 GLY HA3 H 1 3.898 0.007 A 18 GLY C C 13 175.491 0.000 A 18 GLY CA C 13 46.689 0.124 A 18 GLY N N 15 108.587 0.060 A 19 LEU H H 1 7.240 0.023 A 19 LEU HA H 1 3.217 0.012 A 19 LEU HB2 H 1 1.921 0.008 A 19 LEU HB3 H 1 1.256 0.007 A 19 LEU HD1% H 1 0.991 0.004 A 19 LEU HD2% H 1 0.936 0.004 A 19 LEU HG H 1 1.505 0.009 A 19 LEU C C 13 176.975 0.000 A 19 LEU CA C 13 57.774 0.140 A 19 LEU CB C 13 40.895 0.096 A 19 LEU CD1 C 13 26.555 0.085 A 19 LEU CD2 C 13 22.508 0.052 A 19 LEU CG C 13 27.637 0.064 A 19 LEU N N 15 123.120 0.024 A 20 ARG H H 1 8.426 0.009 A 20 ARG HA H 1 3.784 0.005 A 20 ARG HB2 H 1 1.876 0.006 A 20 ARG HB3 H 1 1.876 0.006 A 20 ARG HD2 H 1 3.174 0.004 A 20 ARG HD3 H 1 3.174 0.004 A 20 ARG HGy H 1 1.745 0.014 A 20 ARG HGx H 1 1.531 0.018 A 20 ARG C C 13 181.705 0.000 A 20 ARG CA C 13 60.383 0.080 A 20 ARG CB C 13 29.927 0.065 A 20 ARG CD C 13 43.382 0.030 A 20 ARG CG C 13 27.882 0.123 A 20 ARG N N 15 119.506 0.046 A 21 GLU H H 1 7.961 0.007 A 21 GLU HA H 1 3.940 0.007 A 21 GLU HB2 H 1 1.954 0.000 A 21 GLU HB3 H 1 1.923 0.023 A 21 GLU HGy H 1 2.322 0.014 A 21 GLU HGx H 1 2.165 0.008 A 21 GLU C C 13 180.973 0.000 A 21 GLU CA C 13 59.155 0.068 A 21 GLU CB C 13 29.622 0.062 A 21 GLU CG C 13 36.462 0.050 A 21 GLU N N 15 117.954 0.022 A 22 HIS H H 1 7.434 0.008 A 22 HIS HA H 1 4.236 0.004 A 22 HIS HB2 H 1 2.614 0.010 A 22 HIS HB3 H 1 2.878 0.007 A 22 HIS C C 13 179.182 0.000 A 22 HIS CA C 13 58.860 0.159 A 22 HIS CB C 13 28.259 0.108 A 22 HIS N N 15 119.084 0.034 A 23 LEU H H 1 8.835 0.008 A 23 LEU HA H 1 3.765 0.004 A 23 LEU HBy H 1 1.927 0.011 A 23 LEU HBx H 1 1.507 0.007 A 23 LEU HD1% H 1 0.983 0.007 A 23 LEU HD2% H 1 0.983 0.007 A 23 LEU HG H 1 1.219 0.001 A 23 LEU C C 13 181.265 0.000 A 23 LEU CA C 13 58.587 0.101 A 23 LEU CB C 13 41.840 0.063 A 23 LEU CG C 13 24.830 0.042 A 23 LEU N N 15 122.153 0.057 A 24 GLN H H 1 7.142 0.007 A 24 GLN HA H 1 4.008 0.007 A 24 GLN HBy H 1 2.156 0.003 A 24 GLN HBx H 1 2.115 0.003 A 24 GLN HGy H 1 2.510 0.004 A 24 GLN HGx H 1 2.440 0.004 A 24 GLN C C 13 178.454 0.000 A 24 GLN CA C 13 57.970 0.070 A 24 GLN CB C 13 28.431 0.060 A 24 GLN CG C 13 33.667 0.078 A 24 GLN N N 15 115.740 0.020 A 25 THR H H 1 7.801 0.009 A 25 THR HA H 1 4.129 0.010 A 25 THR HB H 1 4.042 0.017 A 25 THR HG2% H 1 1.165 0.007 A 25 THR C C 13 173.471 0.000 A 25 THR CA C 13 63.754 0.071 A 25 THR CB C 13 69.467 0.150 A 25 THR CG2 C 13 21.014 0.100 A 25 THR N N 15 109.376 0.035 A 26 HIS H H 1 7.095 0.005 A 26 HIS HA H 1 4.891 0.008 A 26 HIS HB2 H 1 3.091 0.008 A 26 HIS HB3 H 1 3.334 0.009 A 26 HIS C C 13 171.847 0.000 A 26 HIS CA C 13 55.083 0.073 A 26 HIS CB C 13 28.686 0.087 A 26 HIS N N 15 118.158 0.026 A 27 ARG H H 1 7.630 0.006 A 27 ARG HA H 1 4.400 0.003 A 27 ARG HBy H 1 1.910 0.007 A 27 ARG HBx H 1 1.795 0.006 A 27 ARG HD2 H 1 3.181 0.003 A 27 ARG HD3 H 1 3.181 0.003 A 27 ARG HGy H 1 1.661 0.006 A 27 ARG HGx H 1 1.624 0.002 A 27 ARG C C 13 175.194 0.000 A 27 ARG CA C 13 56.387 0.089 A 27 ARG CB C 13 31.260 0.083 A 27 ARG CD C 13 43.646 0.097 A 27 ARG CG C 13 27.211 0.036 A 27 ARG N N 15 120.083 0.027 A 28 GLY H H 1 8.217 0.004 A 28 GLY HAy H 1 4.125 0.002 A 28 GLY HAx H 1 4.058 0.006 A 28 GLY CA C 13 44.632 0.056 A 28 GLY N N 15 109.773 0.035 A 29 PRO HA H 1 4.387 0.004 A 29 PRO HBy H 1 2.255 0.003 A 29 PRO HBx H 1 1.892 0.020 A 29 PRO HD2 H 1 3.596 0.005 A 29 PRO HD3 H 1 3.596 0.005 A 29 PRO HG2 H 1 1.966 0.011 A 29 PRO HG3 H 1 1.966 0.011 A 29 PRO C C 13 176.069 0.000 A 29 PRO CA C 13 63.030 0.074 A 29 PRO CB C 13 32.227 0.085 A 29 PRO CD C 13 49.859 0.074 A 29 PRO CG C 13 27.219 0.066 A 30 ALA H H 1 8.312 0.006 A 30 ALA HA H 1 4.191 0.008 A 30 ALA HB% H 1 1.253 0.010 A 30 ALA C C 13 177.466 0.000 A 30 ALA CA C 13 52.423 0.060 A 30 ALA CB C 13 19.185 0.030 A 30 ALA N N 15 124.277 0.053 A 31 LYS H H 1 8.160 0.006 A 31 LYS HA H 1 4.153 0.002 A 31 LYS HBy H 1 1.563 0.000 A 31 LYS HBx H 1 1.507 0.000 A 31 LYS HD2 H 1 1.525 0.004 A 31 LYS HD3 H 1 1.525 0.004 A 31 LYS HE2 H 1 2.870 0.006 A 31 LYS HE3 H 1 2.870 0.006 A 31 LYS HGy H 1 1.278 0.010 A 31 LYS HGx H 1 1.103 0.006 A 31 LYS C C 13 173.444 0.000 A 31 LYS CA C 13 55.970 0.082 A 31 LYS CB C 13 33.189 0.054 A 31 LYS CD C 13 29.199 0.036 A 31 LYS CE C 13 42.289 0.058 A 31 LYS CG C 13 24.932 0.072 A 31 LYS N N 15 120.503 0.023 A 32 HIS H H 1 7.888 0.006 A 32 HIS HA H 1 4.642 0.001 A 32 HIS HB2 H 1 2.829 0.027 A 32 HIS HB3 H 1 2.829 0.027 A 32 HIS C C 13 171.199 0.000 A 32 HIS CA C 13 55.641 0.055 A 32 HIS CB C 13 32.293 0.040 A 32 HIS N N 15 118.745 0.024 A 33 TYR H H 1 8.672 0.017 A 33 TYR HA H 1 4.544 0.010 A 33 TYR HBy H 1 2.900 0.007 A 33 TYR HBx H 1 2.824 0.005 A 33 TYR C C 13 172.174 0.000 A 33 TYR CA C 13 57.776 0.118 A 33 TYR CB C 13 39.394 0.081 A 33 TYR N N 15 120.158 0.023 A 34 MET H H 1 8.770 0.009 A 34 MET HA H 1 5.113 0.005 A 34 MET HBy H 1 1.929 0.003 A 34 MET HBx H 1 1.760 0.007 A 34 MET HG2 H 1 2.276 0.001 A 34 MET HG3 H 1 2.276 0.001 A 34 MET C C 13 172.661 0.000 A 34 MET CA C 13 54.285 0.073 A 34 MET CB C 13 35.606 0.054 A 34 MET CG C 13 31.319 0.104 A 34 MET N N 15 123.629 0.046 A 35 CYS H H 1 9.412 0.010 A 35 CYS HA H 1 4.814 0.009 A 35 CYS HB2 H 1 2.925 0.012 A 35 CYS HB3 H 1 3.473 0.017 A 35 CYS CA C 13 57.229 0.082 A 35 CYS CB C 13 30.413 0.050 A 35 CYS N N 15 128.648 0.028 A 36 PRO HA H 1 4.527 0.004 A 36 PRO HBy H 1 2.394 0.004 A 36 PRO HBx H 1 2.087 0.008 A 36 PRO HDy H 1 4.283 0.006 A 36 PRO HDx H 1 4.209 0.002 A 36 PRO HGy H 1 2.210 0.003 A 36 PRO HGx H 1 2.044 0.004 A 36 PRO C C 13 175.359 0.000 A 36 PRO CA C 13 64.130 0.092 A 36 PRO CB C 13 32.327 0.079 A 36 PRO CD C 13 51.365 0.107 A 36 PRO CG C 13 27.157 0.101 A 37 ILE H H 1 8.802 0.008 A 37 ILE HA H 1 3.906 0.006 A 37 ILE HB H 1 1.224 0.011 A 37 ILE HD1% H 1 0.712 0.004 A 37 ILE HG1y H 1 1.348 0.004 A 37 ILE HG1x H 1 1.102 0.006 A 37 ILE HG2% H 1 0.277 0.006 A 37 ILE C C 13 176.316 0.000 A 37 ILE CA C 13 63.160 0.085 A 37 ILE CB C 13 38.333 0.059 A 37 ILE CD1 C 13 12.270 0.078 A 37 ILE CG1 C 13 28.338 0.059 A 37 ILE CG2 C 13 16.204 0.043 A 37 ILE N N 15 121.680 0.034 A 38 CYS H H 1 8.070 0.025 A 38 CYS HA H 1 5.137 0.004 A 38 CYS HB2 H 1 3.504 0.013 A 38 CYS HB3 H 1 2.850 0.006 A 38 CYS C C 13 175.994 0.000 A 38 CYS CA C 13 58.260 0.082 A 38 CYS CB C 13 32.806 0.047 A 38 CYS N N 15 115.962 0.041 A 39 GLY H H 1 8.113 0.007 A 39 GLY HA2 H 1 4.214 0.015 A 39 GLY HA3 H 1 3.828 0.006 A 39 GLY C C 13 169.495 0.000 A 39 GLY CA C 13 46.446 0.134 A 39 GLY N N 15 113.286 0.029 A 40 GLU H H 1 8.119 0.014 A 40 GLU HA H 1 4.028 0.008 A 40 GLU HBy H 1 1.822 0.007 A 40 GLU HBx H 1 1.535 0.006 A 40 GLU HGy H 1 2.181 0.005 A 40 GLU HGx H 1 1.989 0.004 A 40 GLU C C 13 171.486 0.000 A 40 GLU CA C 13 57.719 0.115 A 40 GLU CB C 13 30.434 0.083 A 40 GLU CG C 13 37.079 0.052 A 40 GLU N N 15 122.500 0.033 A 41 ARG H H 1 8.051 0.010 A 41 ARG HA H 1 4.938 0.003 A 41 ARG HB2 H 1 1.507 0.021 A 41 ARG HB3 H 1 1.507 0.021 A 41 ARG HD2 H 1 2.930 0.001 A 41 ARG HD3 H 1 2.930 0.001 A 41 ARG HG2 H 1 1.287 0.008 A 41 ARG HG3 H 1 1.287 0.008 A 41 ARG C C 13 173.428 0.000 A 41 ARG CA C 13 55.153 0.108 A 41 ARG CB C 13 32.810 0.066 A 41 ARG CD C 13 43.415 0.037 A 41 ARG CG C 13 28.079 0.056 A 41 ARG N N 15 120.904 0.022 A 42 PHE H H 1 8.856 0.006 A 42 PHE HA H 1 4.688 0.010 A 42 PHE HB2 H 1 2.557 0.006 A 42 PHE HB3 H 1 3.676 0.008 A 42 PHE CA C 13 56.737 0.122 A 42 PHE CB C 13 41.976 0.074 A 42 PHE N N 15 119.481 0.043 A 43 PRO HA H 1 4.789 0.009 A 43 PRO HB2 H 1 2.253 0.017 A 43 PRO HB3 H 1 2.253 0.017 A 43 PRO HD2 H 1 4.303 0.004 A 43 PRO HD3 H 1 3.753 0.005 A 43 PRO HG2 H 1 2.061 0.005 A 43 PRO HG3 H 1 2.219 0.004 A 43 PRO C C 13 174.319 0.000 A 43 PRO CA C 13 63.666 0.068 A 43 PRO CB C 13 32.803 0.082 A 43 PRO CD C 13 51.084 0.093 A 43 PRO CG C 13 26.904 0.005 A 44 SER H H 1 7.246 0.013 A 44 SER HA H 1 4.601 0.006 A 44 SER HBy H 1 4.131 0.008 A 44 SER HBx H 1 3.933 0.004 A 44 SER C C 13 166.956 0.000 A 44 SER CA C 13 55.700 0.032 A 44 SER CB C 13 67.018 0.093 A 44 SER N N 15 110.500 0.030 A 45 LEU H H 1 8.272 0.011 A 45 LEU HA H 1 3.505 0.006 A 45 LEU HBy H 1 1.490 0.007 A 45 LEU HBx H 1 1.241 0.009 A 45 LEU HDx% H 1 0.810 0.007 A 45 LEU HDy% H 1 0.879 0.003 A 45 LEU HG H 1 1.262 0.003 A 45 LEU C C 13 181.968 0.000 A 45 LEU CA C 13 57.272 0.057 A 45 LEU CB C 13 41.177 0.061 A 45 LEU CD1 C 13 25.088 0.127 A 45 LEU CD2 C 13 23.408 0.055 A 45 LEU CG C 13 27.051 0.067 A 45 LEU N N 15 122.780 0.033 A 46 LEU H H 1 8.289 0.011 A 46 LEU HA H 1 4.034 0.003 A 46 LEU HBy H 1 1.606 0.004 A 46 LEU HBx H 1 1.552 0.003 A 46 LEU HDx% H 1 0.831 0.004 A 46 LEU HDy% H 1 0.869 0.005 A 46 LEU HG H 1 1.506 0.004 A 46 LEU C C 13 180.359 0.000 A 46 LEU CA C 13 58.636 0.104 A 46 LEU CB C 13 42.115 0.096 A 46 LEU CD1 C 13 24.891 0.047 A 46 LEU CD2 C 13 23.951 0.035 A 46 LEU CG C 13 27.165 0.082 A 46 LEU N N 15 121.552 0.033 A 47 THR H H 1 7.456 0.007 A 47 THR HA H 1 3.980 0.014 A 47 THR HB H 1 4.278 0.001 A 47 THR HG2% H 1 1.323 0.002 A 47 THR C C 13 179.649 0.000 A 47 THR CA C 13 65.057 0.071 A 47 THR CB C 13 69.160 0.151 A 47 THR CG2 C 13 23.766 0.098 A 47 THR N N 15 109.081 0.020 A 48 LEU H H 1 7.582 0.006 A 48 LEU HA H 1 3.269 0.007 A 48 LEU HB2 H 1 1.407 0.009 A 48 LEU HB3 H 1 1.988 0.005 A 48 LEU HD1% H 1 1.029 0.015 A 48 LEU HD2% H 1 0.959 0.014 A 48 LEU HG H 1 1.479 0.006 A 48 LEU C C 13 178.335 0.000 A 48 LEU CA C 13 58.381 0.126 A 48 LEU CB C 13 40.867 0.073 A 48 LEU CD1 C 13 26.633 0.094 A 48 LEU CD2 C 13 23.107 0.076 A 48 LEU CG C 13 27.883 0.061 A 48 LEU N N 15 124.194 0.032 A 49 THR H H 1 8.558 0.009 A 49 THR HA H 1 3.645 0.008 A 49 THR HB H 1 4.324 0.006 A 49 THR HG2% H 1 1.191 0.004 A 49 THR C C 13 175.471 0.000 A 49 THR CA C 13 67.720 0.109 A 49 THR CB C 13 68.791 0.160 A 49 THR CG2 C 13 21.163 0.069 A 49 THR N N 15 117.072 0.022 A 50 GLU H H 1 7.966 0.008 A 50 GLU HA H 1 3.929 0.002 A 50 GLU HB2 H 1 1.925 0.007 A 50 GLU HB3 H 1 1.925 0.007 A 50 GLU HGy H 1 2.409 0.007 A 50 GLU HGx H 1 2.132 0.014 A 50 GLU C C 13 179.081 0.000 A 50 GLU CA C 13 59.130 0.133 A 50 GLU CB C 13 29.684 0.032 A 50 GLU CG C 13 36.633 0.068 A 50 GLU N N 15 120.004 0.024 A 51 HIS H H 1 7.377 0.007 A 51 HIS HA H 1 4.249 0.008 A 51 HIS HB2 H 1 2.613 0.012 A 51 HIS HB3 H 1 2.866 0.005 A 51 HIS C C 13 178.240 0.000 A 51 HIS CA C 13 58.486 0.071 A 51 HIS CB C 13 28.064 0.036 A 51 HIS N N 15 117.288 0.020 A 52 LYS H H 1 8.572 0.006 A 52 LYS HA H 1 3.678 0.005 A 52 LYS HB2 H 1 1.994 0.008 A 52 LYS HB3 H 1 1.994 0.008 A 52 LYS HD2 H 1 1.763 0.019 A 52 LYS HD3 H 1 1.763 0.019 A 52 LYS HEy H 1 3.004 0.001 A 52 LYS HEx H 1 2.966 0.001 A 52 LYS HGy H 1 1.852 0.018 A 52 LYS HGx H 1 1.791 0.020 A 52 LYS C C 13 178.361 0.000 A 52 LYS CA C 13 60.653 0.132 A 52 LYS CB C 13 32.460 0.041 A 52 LYS CD C 13 29.939 0.041 A 52 LYS CE C 13 41.862 0.024 A 52 LYS CG C 13 25.932 0.061 A 52 LYS N N 15 120.729 0.026 A 53 VAL H H 1 6.940 0.006 A 53 VAL HA H 1 4.099 0.006 A 53 VAL HB H 1 2.292 0.008 A 53 VAL HG1% H 1 0.992 0.006 A 53 VAL HG2% H 1 0.974 0.006 A 53 VAL C C 13 175.078 0.000 A 53 VAL CA C 13 63.440 0.072 A 53 VAL CB C 13 31.387 0.051 A 53 VAL CG1 C 13 20.994 0.051 A 53 VAL CG2 C 13 20.019 0.046 A 53 VAL N N 15 112.220 0.030 A 54 THR H H 1 7.581 0.006 A 54 THR HA H 1 4.135 0.020 A 54 THR HB H 1 4.096 0.009 A 54 THR HG2% H 1 1.125 0.007 A 54 THR C C 13 171.847 0.000 A 54 THR CA C 13 63.056 0.144 A 54 THR CB C 13 69.595 0.132 A 54 THR CG2 C 13 21.073 0.110 A 54 THR N N 15 110.466 0.031 A 55 HIS H H 1 6.960 0.003 A 55 HIS HA H 1 4.497 0.002 A 55 HIS HBx H 1 3.014 0.003 A 55 HIS HBy H 1 3.201 0.005 A 55 HIS CA C 13 57.736 0.069 A 55 HIS CB C 13 29.907 0.058 A 55 HIS N N 15 124.770 0.027 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 3 SER H A 3 SER HB2 1.0 1.8 5.0 2 1 A 3 SER H A 3 SER HB3 1.0 1.8 5.0 3 2 A 3 SER HA A 4 HIS H 1.0 1.8 3.5 4 3 A 4 HIS H A 4 HIS HB2 1.0 1.8 3.5 5 4 A 4 HIS HA A 5 LYS H 1.0 1.8 2.7 6 5 A 5 LYS H A 5 LYS HBy 1.0 1.8 3.5 7 6 A 5 LYS H A 5 LYS HBx 1.0 1.8 3.5 8 7 A 5 LYS H A 19 LEU HD1% 1.0 1.8 5.0 9 8 A 6 CYS H A 6 CYS HB2 1.0 1.8 3.5 10 9 A 6 CYS H A 5 LYS HG2 1.0 1.8 3.5 11 9 A 6 CYS H A 5 LYS HG3 1.0 1.8 3.5 12 10 A 6 CYS H A 19 LEU HD2% 1.0 1.8 3.5 13 11 A 6 CYS HA A 7 ASN H 1.0 1.8 3.5 14 12 A 7 ASN H A 7 ASN HBy 1.0 1.8 5.0 15 13 A 7 ASN H A 7 ASN HBx 1.0 1.8 5.0 16 14 A 8 VAL H A 8 VAL HB 1.0 1.8 3.5 17 15 A 8 VAL HB A 9 CYS H 1.0 1.8 2.7 18 16 A 10 SER H A 10 SER HA 1.0 1.8 2.7 19 17 A 10 SER H A 9 CYS HBy 1.0 1.8 3.5 20 18 A 9 CYS H A 10 SER H 1.0 1.8 2.7 21 19 A 6 CYS HB3 A 11 ARG H 1.0 1.8 3.5 22 20 A 11 ARG H A 11 ARG HG2 1.0 1.8 3.5 23 20 A 11 ARG H A 11 ARG HG3 1.0 1.8 3.5 24 21 A 11 ARG H A 11 ARG HB2 1.0 1.8 2.7 25 21 A 11 ARG H A 11 ARG HB3 1.0 1.8 2.7 26 22 A 12 THR H A 11 ARG HB2 1.0 1.8 3.5 27 22 A 11 ARG HB3 A 12 THR H 1.0 1.8 3.5 28 23 A 16 GLU H A 16 GLU HB2 1.0 1.8 3.5 29 23 A 16 GLU H A 16 GLU HB3 1.0 1.8 3.5 30 24 A 18 GLY H A 17 ASN HB2 1.0 1.8 3.5 31 24 A 17 ASN HB3 A 18 GLY H 1.0 1.8 3.5 32 25 A 18 GLY H A 19 LEU H 1.0 1.8 3.5 33 26 A 19 LEU H A 19 LEU HB2 1.0 1.8 2.7 34 27 A 19 LEU H A 19 LEU HB3 1.0 1.8 3.5 35 28 A 19 LEU HD2% A 19 LEU H 1.0 1.8 5.0 36 29 A 34 MET H A 34 MET HBy 1.0 1.8 3.5 37 30 A 34 MET H A 34 MET HBx 1.0 1.8 3.5 38 31 A 20 ARG H A 21 GLU H 1.0 1.8 3.5 39 32 A 21 GLU H A 22 HIS H 1.0 1.8 3.5 40 33 A 21 GLU H A 18 GLY HA2 1.0 1.8 5.0 41 34 A 21 GLU H A 20 ARG HB2 1.0 1.8 3.5 42 34 A 21 GLU H A 20 ARG HB3 1.0 1.8 3.5 43 35 A 22 HIS H A 23 LEU H 1.0 1.8 3.5 44 36 A 22 HIS H A 22 HIS HB3 1.0 1.8 2.7 45 37 A 22 HIS H A 21 GLU HB3 1.0 1.8 3.5 46 38 A 22 HIS H A 19 LEU HA 1.0 1.8 5.0 47 39 A 23 LEU H A 22 HIS HB3 1.0 1.8 3.5 48 40 A 23 LEU H A 23 LEU HBy 1.0 1.8 3.5 49 41 A 23 LEU H A 23 LEU HBx 1.0 1.8 3.5 50 42 A 23 LEU H A 23 LEU HD1% 1.0 1.8 3.5 51 42 A 23 LEU H A 23 LEU HD2% 1.0 1.8 3.5 52 43 A 23 LEU H A 24 GLN H 1.0 1.8 3.5 53 44 A 24 GLN H A 24 GLN HA 1.0 1.8 3.5 54 45 A 24 GLN H A 24 GLN HBy 1.0 1.8 3.5 55 46 A 25 THR H A 26 HIS H 1.0 1.8 2.7 56 47 A 25 THR H A 25 THR HA 1.0 1.8 3.5 57 48 A 25 THR H A 24 GLN HBy 1.0 1.8 5.0 58 49 A 25 THR H A 24 GLN HBx 1.0 1.8 5.0 59 50 A 25 THR H A 25 THR HG2% 1.0 1.8 2.7 60 51 A 26 HIS H A 26 HIS HB2 1.0 1.8 3.5 61 52 A 27 ARG HA A 28 GLY H 1.0 1.8 3.5 62 53 A 29 PRO HA A 30 ALA H 1.0 1.8 3.5 63 54 A 30 ALA H A 30 ALA HB% 1.0 1.8 3.5 64 55 A 30 ALA HA A 31 LYS H 1.0 1.8 3.5 65 56 A 31 LYS H A 31 LYS HBy 1.0 1.8 5.0 66 57 A 31 LYS H A 31 LYS HBx 1.0 1.8 5.0 67 58 A 30 ALA HB% A 31 LYS H 1.0 1.8 5.0 68 59 A 31 LYS HA A 32 HIS H 1.0 1.8 3.5 69 60 A 32 HIS H A 32 HIS HB2 1.0 1.8 3.5 70 60 A 32 HIS H A 32 HIS HB3 1.0 1.8 3.5 71 61 A 32 HIS HA A 33 TYR H 1.0 1.8 3.5 72 62 A 33 TYR H A 32 HIS HB2 1.0 1.8 5.0 73 62 A 32 HIS HB3 A 33 TYR H 1.0 1.8 5.0 74 63 A 19 LEU H A 20 ARG H 1.0 1.8 3.5 75 64 A 20 ARG H A 20 ARG HA 1.0 1.8 3.5 76 65 A 20 ARG H A 20 ARG HB2 1.0 1.8 2.7 77 65 A 20 ARG H A 20 ARG HB3 1.0 1.8 2.7 78 66 A 20 ARG H A 20 ARG HGx 1.0 1.8 3.5 79 67 A 19 LEU HB3 A 20 ARG H 1.0 1.8 3.5 80 68 A 20 ARG H A 17 ASN HA 1.0 1.8 5.0 81 69 A 34 MET HA A 35 CYS H 1.0 1.8 2.7 82 70 A 35 CYS H A 35 CYS HB3 1.0 1.8 2.7 83 71 A 35 CYS H A 35 CYS HB2 1.0 1.8 3.5 84 72 A 35 CYS H A 34 MET HG2 1.0 1.8 3.5 85 72 A 35 CYS H A 34 MET HG3 1.0 1.8 3.5 86 73 A 37 ILE H A 37 ILE HB 1.0 1.8 3.5 87 74 A 37 ILE H A 38 CYS H 1.0 1.8 3.5 88 75 A 37 ILE HB A 38 CYS H 1.0 1.8 3.5 89 76 A 39 GLY H A 39 GLY HA3 1.0 1.8 2.7 90 77 A 35 CYS HB3 A 40 GLU H 1.0 1.8 3.5 91 78 A 40 GLU H A 40 GLU HBy 1.0 1.8 3.5 92 79 A 40 GLU H A 40 GLU HBx 1.0 1.8 3.5 93 80 A 41 ARG H A 41 ARG HB2 1.0 1.8 3.5 94 80 A 41 ARG H A 41 ARG HB3 1.0 1.8 3.5 95 81 A 41 ARG HA A 42 PHE H 1.0 1.8 2.7 96 82 A 42 PHE H A 41 ARG HB2 1.0 1.8 5.0 97 82 A 41 ARG HB3 A 42 PHE H 1.0 1.8 5.0 98 83 A 43 PRO HD2 A 44 SER H 1.0 1.8 3.5 99 84 A 44 SER H A 42 PHE HB3 1.0 1.8 3.5 100 85 A 44 SER H A 43 PRO HG2 1.0 1.8 3.5 101 86 A 45 LEU H A 45 LEU HBy 1.0 1.8 3.5 102 87 A 45 LEU H A 45 LEU HBx 1.0 1.8 3.5 103 88 A 45 LEU H A 44 SER HBy 1.0 1.8 3.5 104 89 A 45 LEU H A 44 SER HA 1.0 1.8 2.7 105 90 A 46 LEU H A 47 THR H 1.0 1.8 3.5 106 91 A 46 LEU H A 46 LEU HBx 1.0 1.8 5.0 107 92 A 47 THR H A 47 THR HB 1.0 1.8 5.0 108 93 A 47 THR H A 46 LEU HBx 1.0 1.8 3.5 109 94 A 47 THR H A 47 THR HG2% 1.0 1.8 3.5 110 95 A 45 LEU HA A 48 LEU H 1.0 1.8 3.5 111 96 A 48 LEU H A 48 LEU HB3 1.0 1.8 2.7 112 97 A 48 LEU H A 48 LEU HB2 1.0 1.8 3.5 113 98 A 48 LEU H A 48 LEU HD2% 1.0 1.8 5.0 114 99 A 49 THR H A 50 GLU H 1.0 1.8 3.5 115 100 A 48 LEU H A 49 THR H 1.0 1.8 3.5 116 101 A 49 THR H A 49 THR HB 1.0 1.8 2.7 117 102 A 49 THR H A 49 THR HA 1.0 1.8 3.5 118 103 A 49 THR H A 46 LEU HA 1.0 1.8 5.0 119 104 A 49 THR H A 47 THR HA 1.0 1.8 5.0 120 105 A 48 LEU HB3 A 49 THR H 1.0 1.8 3.5 121 106 A 49 THR H A 49 THR HG2% 1.0 1.8 5.0 122 107 A 50 GLU H A 47 THR HA 1.0 1.8 3.5 123 108 A 50 GLU H A 50 GLU HGy 1.0 1.8 3.5 124 109 A 50 GLU H A 50 GLU HB2 1.0 1.8 2.7 125 109 A 50 GLU H A 50 GLU HB3 1.0 1.8 2.7 126 110 A 50 GLU H A 51 HIS H 1.0 1.8 3.5 127 111 A 51 HIS H A 52 LYS H 1.0 1.8 3.5 128 112 A 51 HIS H A 51 HIS HB3 1.0 1.8 2.7 129 113 A 51 HIS H A 51 HIS HB2 1.0 1.8 3.5 130 114 A 51 HIS H A 50 GLU HB2 1.0 1.8 3.5 131 114 A 50 GLU HB3 A 51 HIS H 1.0 1.8 3.5 132 115 A 51 HIS H A 48 LEU HA 1.0 1.8 3.5 133 116 A 52 LYS H A 52 LYS HA 1.0 1.8 3.5 134 117 A 52 LYS H A 51 HIS HB3 1.0 1.8 3.5 135 118 A 52 LYS H A 52 LYS HB2 1.0 1.8 2.7 136 118 A 52 LYS H A 52 LYS HB3 1.0 1.8 2.7 137 119 A 53 VAL H A 53 VAL HB 1.0 1.8 3.5 138 120 A 53 VAL H A 52 LYS HB2 1.0 1.8 3.5 139 120 A 52 LYS HB3 A 53 VAL H 1.0 1.8 3.5 140 121 A 53 VAL H A 53 VAL HG2% 1.0 1.8 2.7 141 122 A 52 LYS H A 53 VAL H 1.0 1.8 3.5 142 123 A 53 VAL H A 54 THR H 1.0 1.8 2.7 143 124 A 54 THR H A 54 THR HG2% 1.0 1.8 3.5 144 125 A 54 THR H A 55 HIS H 1.0 1.8 3.5 145 126 A 55 HIS H A 55 HIS HBy 1.0 1.8 3.5 146 127 A 55 HIS H A 55 HIS HBx 1.0 1.8 3.5 147 128 A 8 VAL H A 9 CYS H 1.0 1.8 3.5 148 129 A 6 CYS H A 6 CYS HB3 1.0 1.8 3.5 149 130 A 24 GLN H A 25 THR H 1.0 1.8 3.5 150 131 A 35 CYS H A 40 GLU H 1.0 1.8 3.5 151 132 A 18 GLY H A 18 GLY HA3 1.0 1.8 2.7 152 133 A 53 VAL H A 53 VAL HA 1.0 1.8 3.5 153 134 A 42 PHE HB3 A 48 LEU H 1.0 1.8 5.0 154 135 A 44 SER H A 42 PHE HB2 1.0 1.8 3.5 155 136 A 22 HIS H A 22 HIS HB2 1.0 1.8 3.5 156 137 A 42 PHE H A 42 PHE HB2 1.0 1.8 3.5 157 138 A 19 LEU H A 18 GLY HA3 1.0 1.8 3.5 158 139 A 50 GLU H A 49 THR HG2% 1.0 1.8 3.5 159 140 A 48 LEU HB2 A 49 THR H 1.0 1.8 5.0 160 141 A 8 VAL H A 10 SER H 1.0 1.8 5.0 161 142 A 3 SER H A 4 HIS H 1.0 1.8 3.5 162 143 A 26 HIS H A 27 ARG H 1.0 1.8 3.5 163 144 A 44 SER H A 43 PRO HB2 1.0 1.8 3.5 164 144 A 44 SER H A 43 PRO HB3 1.0 1.8 3.5 165 145 A 52 LYS HA A 54 THR H 1.0 1.8 5.0 166 146 A 53 VAL HG2% A 54 THR H 1.0 1.8 3.5 167 147 A 52 LYS H A 51 HIS HB2 1.0 1.8 5.0 168 148 A 26 HIS H A 26 HIS HB3 1.0 1.8 5.0 169 149 A 50 GLU H A 50 GLU HGx 1.0 1.8 3.5 170 150 A 40 GLU H A 40 GLU HGx 1.0 1.8 3.5 171 151 A 25 THR H A 23 LEU HA 1.0 1.8 5.0 172 152 A 49 THR H A 48 LEU HA 1.0 1.8 5.0 173 153 A 20 ARG H A 19 LEU HA 1.0 1.8 5.0 174 154 A 35 CYS HB2 A 40 GLU H 1.0 1.8 3.5 175 155 A 12 THR HA A 12 THR HG2% 1.0 1.8 3.5 176 156 A 35 CYS HB2 A 48 LEU HD2% 1.0 1.8 3.5 177 157 A 48 LEU HD2% A 35 CYS HA 1.0 1.8 3.5 178 158 A 23 LEU HA A 23 LEU HG 1.0 1.8 2.7 179 159 A 21 GLU HA A 21 GLU HB2 1.0 1.8 2.7 180 160 A 5 LYS HBx A 5 LYS HG2 1.0 1.8 3.5 181 160 A 5 LYS HBx A 5 LYS HG3 1.0 1.8 3.5 182 161 A 41 ARG HB2 A 41 ARG HD2 1.0 1.8 2.7 183 161 A 41 ARG HB3 A 41 ARG HD2 1.0 1.8 2.7 184 161 A 41 ARG HD3 A 41 ARG HB2 1.0 1.8 2.7 185 161 A 41 ARG HB3 A 41 ARG HD3 1.0 1.8 2.7 186 162 A 35 CYS HA A 36 PRO HDx 1.0 1.8 2.7 187 163 A 35 CYS HA A 36 PRO HDy 1.0 1.8 2.7 188 164 A 22 HIS HB3 A 19 LEU HA 1.0 1.8 3.5 189 165 A 45 LEU HA A 45 LEU HG 1.0 1.8 3.5 190 166 A 17 ASN HA A 20 ARG HB2 1.0 1.8 2.7 191 166 A 20 ARG HB3 A 17 ASN HA 1.0 1.8 2.7 192 167 A 11 ARG HA A 11 ARG HB2 1.0 1.8 2.7 193 167 A 11 ARG HB3 A 11 ARG HA 1.0 1.8 2.7 194 168 A 3 SER HA A 3 SER HB2 1.0 1.8 2.7 195 168 A 3 SER HB3 A 3 SER HA 1.0 1.8 2.7 196 169 A 50 GLU HA A 50 GLU HB2 1.0 1.8 2.7 197 169 A 50 GLU HB3 A 50 GLU HA 1.0 1.8 2.7 198 170 A 20 ARG HA A 23 LEU HBy 1.0 1.8 3.5 199 171 A 52 LYS HA A 52 LYS HB2 1.0 1.8 3.5 200 171 A 52 LYS HA A 52 LYS HB3 1.0 1.8 3.5 201 172 A 47 THR HA A 50 GLU HB2 1.0 1.8 3.5 202 172 A 47 THR HA A 50 GLU HB3 1.0 1.8 3.5 203 173 A 16 GLU HB3 A 16 GLU HG2 1.0 1.8 3.5 204 173 A 16 GLU HB2 A 16 GLU HG2 1.0 1.8 3.5 205 173 A 16 GLU HG3 A 16 GLU HB2 1.0 1.8 3.5 206 173 A 16 GLU HB3 A 16 GLU HG3 1.0 1.8 3.5 207 174 A 38 CYS HA A 38 CYS HB2 1.0 1.8 2.7 208 175 A 38 CYS HA A 38 CYS HB3 1.0 1.8 2.7 209 176 A 16 GLU HA A 16 GLU HB2 1.0 1.8 2.7 210 176 A 16 GLU HB3 A 16 GLU HA 1.0 1.8 2.7 211 177 A 18 GLY HA2 A 21 GLU HB2 1.0 1.8 5.0 212 178 A 18 GLY HA2 A 21 GLU HB3 1.0 1.8 5.0 213 179 A 20 ARG HA A 23 LEU HBx 1.0 1.8 3.5 214 180 A 37 ILE HA A 37 ILE HG1x 1.0 1.8 3.5 215 181 A 45 LEU HA A 48 LEU HB3 1.0 1.8 3.5 216 182 A 48 LEU HB3 A 48 LEU HA 1.0 1.8 3.5 217 183 A 51 HIS HB3 A 48 LEU HA 1.0 1.8 3.5 218 184 A 49 THR HA A 49 THR HG2% 1.0 1.8 3.5 219 185 A 54 THR HG2% A 54 THR HA 1.0 1.8 2.7 220 186 A 19 LEU HD1% A 4 HIS HB3 1.0 1.8 3.5 221 187 A 37 ILE HG2% A 37 ILE HG1x 1.0 1.8 3.5 222 188 A 37 ILE HG2% A 37 ILE HG1y 1.0 1.8 3.5 223 189 A 24 GLN H A 24 GLN HBx 1.0 1.8 3.5 224 190 A 35 CYS HB2 A 35 CYS HA 1.0 1.8 3.5 225 191 A 5 LYS HBy A 5 LYS HG2 1.0 1.8 3.5 226 191 A 5 LYS HBy A 5 LYS HG3 1.0 1.8 3.5 227 192 A 37 ILE HB A 37 ILE HD1% 1.0 1.8 3.5 228 193 A 19 LEU HB3 A 4 HIS HB3 1.0 1.8 3.5 229 194 A 19 LEU HB2 A 13 PHE HBy 1.0 1.8 5.0 230 195 A 19 LEU HD2% A 19 LEU HB2 1.0 1.8 2.7 231 196 A 48 LEU HB3 A 48 LEU HD1% 1.0 1.8 3.5 232 197 A 48 LEU HB2 A 48 LEU HD2% 1.0 1.8 3.5 233 198 A 43 PRO HD2 A 42 PHE HB3 1.0 1.8 3.5 234 199 A 48 LEU HB3 A 48 LEU HD2% 1.0 1.8 5.0 235 200 A 48 LEU HD2% A 52 LYS HB2 1.0 1.8 5.0 236 200 A 48 LEU HD2% A 52 LYS HB3 1.0 1.8 5.0 237 201 A 10 SER H A 9 CYS HBx 1.0 1.8 3.5 238 202 A 37 ILE HD1% A 55 HIS HBy 1.0 1.8 3.5 239 203 A 21 GLU HB3 A 21 GLU HA 1.0 1.8 3.5 240 204 A 38 CYS HB3 A 37 ILE HG2% 1.0 1.8 3.5 241 205 A 19 LEU HB2 A 20 ARG H 1.0 1.8 3.5 242 206 A 48 LEU HB2 A 42 PHE HB2 1.0 1.8 5.0 243 207 A 5 LYS HD2 A 5 LYS HE2 1.0 1.8 2.7 244 207 A 5 LYS HD3 A 5 LYS HE2 1.0 1.8 2.7 245 207 A 5 LYS HE3 A 5 LYS HD2 1.0 1.8 2.7 246 207 A 5 LYS HD3 A 5 LYS HE3 1.0 1.8 2.7 247 208 A 19 LEU HA A 19 LEU HG 1.0 1.8 5.0 248 209 A 19 LEU HD1% A 20 ARG HA 1.0 1.8 3.5 249 210 A 53 VAL HB A 53 VAL HA 1.0 1.8 2.7 250 211 A 37 ILE HA A 37 ILE HG1y 1.0 1.8 3.5 251 212 A 12 THR HA A 12 THR HB 1.0 1.8 3.5 252 213 A 53 VAL HA A 53 VAL HG1% 1.0 1.8 2.7 253 214 A 4 HIS HA A 4 HIS HB3 1.0 1.8 3.5 254 215 A 37 ILE H A 37 ILE HG1y 1.0 1.8 3.5 255 216 A 37 ILE H A 37 ILE HG2% 1.0 1.8 3.5 256 217 A 37 ILE H A 37 ILE HG1x 1.0 1.8 3.5 257 218 A 34 MET HA A 34 MET HG2 1.0 1.8 3.5 258 218 A 34 MET HA A 34 MET HG3 1.0 1.8 3.5 259 219 A 43 PRO HD2 A 42 PHE HB2 1.0 1.8 5.0 260 220 A 21 GLU HA A 21 GLU HGx 1.0 1.8 5.0 261 221 A 50 GLU HA A 50 GLU HGx 1.0 1.8 5.0 262 222 A 5 LYS HA A 5 LYS HG2 1.0 1.8 3.5 263 222 A 5 LYS HG3 A 5 LYS HA 1.0 1.8 3.5 264 223 A 19 LEU HD2% A 6 CYS HA 1.0 1.8 3.5 265 224 A 8 VAL HA A 8 VAL HG1% 1.0 1.8 2.7 266 225 A 8 VAL HA A 8 VAL HG2% 1.0 1.8 2.7 267 226 A 8 VAL H A 8 VAL HG2% 1.0 1.8 3.5 268 227 A 12 THR H A 12 THR HG2% 1.0 1.8 3.5 269 228 A 12 THR HG2% A 13 PHE H 1.0 1.8 3.5 270 229 A 19 LEU H A 13 PHE HBy 1.0 1.8 3.5 271 230 A 19 LEU H A 13 PHE HBx 1.0 1.8 3.5 272 231 A 17 ASN HA A 17 ASN HB2 1.0 1.8 2.7 273 231 A 17 ASN HB3 A 17 ASN HA 1.0 1.8 2.7 274 232 A 19 LEU HD2% A 19 LEU HA 1.0 1.8 2.7 275 233 A 6 CYS HB2 A 19 LEU HD2% 1.0 1.8 3.5 276 234 A 21 GLU H A 21 GLU HA 1.0 1.8 2.7 277 235 A 21 GLU H A 21 GLU HB2 1.0 1.8 2.7 278 236 A 22 HIS HB2 A 22 HIS HA 1.0 1.8 2.7 279 237 A 22 HIS HB3 A 22 HIS HA 1.0 1.8 3.5 280 238 A 23 LEU H A 22 HIS HB2 1.0 1.8 5.0 281 239 A 24 GLN H A 24 GLN HGy 1.0 1.8 3.5 282 240 A 24 GLN H A 24 GLN HGx 1.0 1.8 3.5 283 241 A 28 GLY HAy A 29 PRO HD2 1.0 1.8 2.7 284 241 A 28 GLY HAy A 29 PRO HD3 1.0 1.8 2.7 285 242 A 28 GLY HAx A 29 PRO HD2 1.0 1.8 2.7 286 242 A 29 PRO HD3 A 28 GLY HAx 1.0 1.8 2.7 287 243 A 34 MET H A 33 TYR HA 1.0 1.8 2.7 288 244 A 33 TYR H A 33 TYR HBy 1.0 1.8 5.0 289 245 A 33 TYR H A 33 TYR HBx 1.0 1.8 5.0 290 246 A 35 CYS HB3 A 39 GLY H 1.0 1.8 3.5 291 247 A 35 CYS HB2 A 39 GLY H 1.0 1.8 3.5 292 248 A 37 ILE HA A 37 ILE HG2% 1.0 1.8 2.7 293 249 A 38 CYS H A 37 ILE HG2% 1.0 1.8 3.5 294 250 A 38 CYS H A 38 CYS HB2 1.0 1.8 3.5 295 251 A 38 CYS H A 38 CYS HB3 1.0 1.8 3.5 296 252 A 39 GLY H A 39 GLY HA2 1.0 1.8 3.5 297 253 A 41 ARG H A 40 GLU HA 1.0 1.8 2.7 298 254 A 42 PHE HA A 43 PRO HD3 1.0 1.8 3.5 299 255 A 46 LEU H A 46 LEU HBy 1.0 1.8 5.0 300 256 A 47 THR H A 46 LEU HBy 1.0 1.8 3.5 301 257 A 47 THR HG2% A 47 THR HA 1.0 1.8 2.7 302 258 A 48 LEU HB2 A 48 LEU HA 1.0 1.8 3.5 303 259 A 48 LEU HD2% A 48 LEU HA 1.0 1.8 3.5 304 260 A 50 GLU H A 49 THR HB 1.0 1.8 3.5 305 261 A 55 HIS H A 54 THR HA 1.0 1.8 3.5 306 262 A 53 VAL HG2% A 53 VAL HA 1.0 1.8 3.5 307 263 A 53 VAL H A 53 VAL HG1% 1.0 1.8 3.5 308 264 A 5 LYS HE3 A 5 LYS HG2 1.0 1.8 3.5 309 264 A 5 LYS HE2 A 5 LYS HG2 1.0 1.8 3.5 310 264 A 5 LYS HG3 A 5 LYS HE2 1.0 1.8 3.5 311 264 A 5 LYS HG3 A 5 LYS HE3 1.0 1.8 3.5 312 265 A 4 HIS HA A 19 LEU HD1% 1.0 1.8 5.0 313 266 A 43 PRO HG2 A 47 THR HG2% 1.0 1.8 3.5 314 267 A 20 ARG H A 20 ARG HGy 1.0 1.8 3.5 315 268 A 19 LEU HD2% A 22 HIS HB3 1.0 1.8 3.5 316 269 A 48 LEU HD2% A 51 HIS HB3 1.0 1.8 5.0 317 270 A 11 ARG HA A 11 ARG HG2 1.0 1.8 3.5 318 270 A 11 ARG HG3 A 11 ARG HA 1.0 1.8 3.5 319 271 A 6 CYS HB2 A 11 ARG H 1.0 1.8 5.0 320 272 A 6 CYS HB2 A 6 CYS HA 1.0 1.8 3.5 321 273 A 11 ARG HB2 A 11 ARG HDx 1.0 1.8 5.0 322 273 A 11 ARG HB3 A 11 ARG HDx 1.0 1.8 5.0 323 274 A 11 ARG HDy A 11 ARG HB2 1.0 1.8 5.0 324 274 A 11 ARG HB3 A 11 ARG HDy 1.0 1.8 5.0 325 275 A 48 LEU HD1% A 52 LYS HB2 1.0 1.8 3.5 326 275 A 52 LYS HB3 A 48 LEU HD1% 1.0 1.8 3.5 327 276 A 24 GLN HA A 24 GLN HGy 1.0 1.8 3.5 328 277 A 24 GLN HA A 24 GLN HGx 1.0 1.8 3.5 329 278 A 21 GLU HA A 21 GLU HGy 1.0 1.8 5.0 330 279 A 50 GLU HA A 50 GLU HGy 1.0 1.8 5.0 331 280 A 54 THR H A 53 VAL HA 1.0 1.8 5.0 332 281 A 45 LEU H A 44 SER HBx 1.0 1.8 3.5 333 282 A 37 ILE HD1% A 55 HIS HBx 1.0 1.8 3.5 334 283 A 37 ILE HA A 37 ILE HD1% 1.0 1.8 5.0 335 284 A 37 ILE H A 37 ILE HD1% 1.0 1.8 3.5 336 285 A 9 CYS H A 8 VAL HG2% 1.0 1.8 3.5 337 286 A 9 CYS H A 8 VAL HG1% 1.0 1.8 3.5 338 287 A 19 LEU HD1% A 20 ARG H 1.0 1.8 5.0 339 288 A 40 GLU H A 40 GLU HGy 1.0 1.8 3.5 340 289 A 46 LEU H A 45 LEU HA 1.0 1.8 3.5 341 290 A 47 THR HB A 47 THR HA 1.0 1.8 3.5 342 291 A 25 THR HA A 25 THR HG2% 1.0 1.8 2.7 343 292 A 19 LEU HB3 A 16 GLU HA 1.0 1.8 5.0 344 293 A 48 LEU HB2 A 33 TYR HBy 1.0 1.8 3.5 345 294 A 48 LEU HB2 A 33 TYR HBx 1.0 1.8 3.5 346 295 A 48 LEU HB3 A 33 TYR HBy 1.0 1.8 5.0 347 296 A 48 LEU HB3 A 33 TYR HBx 1.0 1.8 5.0 348 297 A 9 CYS HA A 9 CYS HBy 1.0 1.8 3.5 349 298 A 9 CYS HA A 9 CYS HBx 1.0 1.8 3.5 350 299 A 6 CYS HA A 6 CYS HB3 1.0 1.8 3.5 351 300 A 21 GLU H A 21 GLU HB3 1.0 1.8 3.5 352 301 A 35 CYS HB2 A 39 GLY HA2 1.0 1.8 3.5 353 302 A 35 CYS HB3 A 39 GLY HA2 1.0 1.8 5.0 354 303 A 48 LEU HD2% A 42 PHE HB2 1.0 1.8 5.0 355 304 A 42 PHE HB3 A 48 LEU HD2% 1.0 1.8 5.0 356 305 A 35 CYS HA A 48 LEU HD1% 1.0 1.8 5.0 357 306 A 35 CYS HB3 A 48 LEU HD2% 1.0 1.8 3.5 358 307 A 19 LEU HB3 A 13 PHE HBx 1.0 1.8 5.0 359 308 A 19 LEU HB2 A 13 PHE HBx 1.0 1.8 5.0 360 309 A 19 LEU HB3 A 13 PHE HBy 1.0 1.8 5.0 361 310 A 18 GLY HA2 A 17 ASN HB2 1.0 1.8 5.0 362 310 A 17 ASN HB3 A 18 GLY HA2 1.0 1.8 5.0 363 311 A 19 LEU HD2% A 6 CYS HB3 1.0 1.8 3.5 364 312 A 37 ILE HG2% A 37 ILE HD1% 1.0 1.8 5.0 365 313 A 35 CYS H A 48 LEU HD2% 1.0 1.8 3.5 366 314 A 47 THR HG2% A 43 PRO HG3 1.0 1.8 3.5 367 315 A 48 LEU HD2% A 51 HIS HB2 1.0 1.8 5.0 368 316 A 19 LEU HD2% A 22 HIS HB2 1.0 1.8 5.0 369 317 A 26 HIS HB3 A 8 VAL HG2% 1.0 1.8 5.0 370 318 A 26 HIS HB2 A 8 VAL HG2% 1.0 1.8 5.0 371 319 A 26 HIS HB2 A 8 VAL HG1% 1.0 1.8 5.0 372 320 A 26 HIS HB3 A 8 VAL HG1% 1.0 1.8 5.0 373 321 A 20 ARG HB3 A 20 ARG HD2 1.0 1.8 3.5 374 321 A 20 ARG HB2 A 20 ARG HD2 1.0 1.8 3.5 375 321 A 20 ARG HD3 A 20 ARG HB2 1.0 1.8 3.5 376 321 A 20 ARG HB3 A 20 ARG HD3 1.0 1.8 3.5 377 322 A 34 MET H A 34 MET HG2 1.0 1.8 5.0 378 322 A 34 MET H A 34 MET HG3 1.0 1.8 5.0 379 323 A 42 PHE HB3 A 48 LEU HB2 1.0 1.8 5.0 380 324 A 41 ARG H A 41 ARG HD2 1.0 1.8 5.0 381 324 A 41 ARG H A 41 ARG HD3 1.0 1.8 5.0 382 325 A 21 GLU H A 17 ASN HA 1.0 1.8 5.0 383 326 A 51 HIS HB2 A 48 LEU HA 1.0 1.8 5.0 384 327 A 19 LEU H A 16 GLU HA 1.0 1.8 5.0 385 328 A 20 ARG HA A 20 ARG HD2 1.0 1.8 3.5 386 328 A 20 ARG HA A 20 ARG HD3 1.0 1.8 3.5 387 329 A 10 SER HA A 5 LYS HG2 1.0 1.8 3.5 388 329 A 5 LYS HG3 A 10 SER HA 1.0 1.8 3.5 389 330 A 25 THR H A 25 THR HB 1.0 1.8 3.5 390 331 A 12 THR H A 12 THR HB 1.0 1.8 3.5 391 332 A 3 SER H A 2 GLY HAy 1.0 1.8 3.5 392 332 A 3 SER H A 2 GLY HAx 1.0 1.8 3.5 393 333 A 5 LYS HG2 A 10 SER HBy 1.0 1.8 5.0 394 333 A 5 LYS HG3 A 10 SER HBy 1.0 1.8 5.0 395 333 A 10 SER HBx A 5 LYS HG2 1.0 1.8 5.0 396 333 A 5 LYS HG3 A 10 SER HBx 1.0 1.8 5.0 397 334 A 7 ASN H A 7 ASN HBx 1.0 1.8 5.0 398 334 A 7 ASN H A 7 ASN HBy 1.0 1.8 5.0 399 335 A 7 ASN HA A 7 ASN HBx 1.0 1.8 2.7 400 335 A 7 ASN HBy A 7 ASN HA 1.0 1.8 2.7 401 336 A 8 VAL HG1% A 9 CYS HBx 1.0 1.8 5.0 402 336 A 8 VAL HG1% A 9 CYS HBy 1.0 1.8 5.0 403 337 A 9 CYS H A 9 CYS HBx 1.0 1.8 5.0 404 337 A 9 CYS H A 9 CYS HBy 1.0 1.8 5.0 405 338 A 10 SER H A 10 SER HBy 1.0 1.8 3.5 406 338 A 10 SER H A 10 SER HBx 1.0 1.8 3.5 407 339 A 10 SER HA A 10 SER HBy 1.0 1.8 2.7 408 339 A 10 SER HA A 10 SER HBx 1.0 1.8 2.7 409 340 A 11 ARG H A 11 ARG HDx 1.0 1.8 5.0 410 340 A 11 ARG H A 11 ARG HDy 1.0 1.8 5.0 411 341 A 11 ARG HA A 11 ARG HDx 1.0 1.8 5.0 412 341 A 11 ARG HA A 11 ARG HDy 1.0 1.8 5.0 413 342 A 11 ARG HB2 A 11 ARG HDx 1.0 1.8 3.5 414 342 A 11 ARG HB3 A 11 ARG HDx 1.0 1.8 3.5 415 342 A 11 ARG HDy A 11 ARG HB2 1.0 1.8 3.5 416 342 A 11 ARG HB3 A 11 ARG HDy 1.0 1.8 3.5 417 343 A 13 PHE H A 13 PHE HBy 1.0 1.8 3.5 418 343 A 13 PHE H A 13 PHE HBx 1.0 1.8 3.5 419 344 A 15 SER H A 13 PHE HBy 1.0 1.8 3.5 420 344 A 13 PHE HBx A 15 SER H 1.0 1.8 3.5 421 345 A 18 GLY HA3 A 13 PHE HBy 1.0 1.8 5.0 422 345 A 18 GLY HA3 A 13 PHE HBx 1.0 1.8 5.0 423 346 A 19 LEU HA A 13 PHE HBy 1.0 1.8 3.5 424 346 A 19 LEU HA A 13 PHE HBx 1.0 1.8 3.5 425 347 A 19 LEU HB2 A 13 PHE HBy 1.0 1.8 3.5 426 347 A 19 LEU HB2 A 13 PHE HBx 1.0 1.8 3.5 427 348 A 19 LEU HB3 A 13 PHE HBy 1.0 1.8 3.5 428 348 A 19 LEU HB3 A 13 PHE HBx 1.0 1.8 3.5 429 349 A 19 LEU HD2% A 13 PHE HBy 1.0 1.8 3.5 430 349 A 19 LEU HD2% A 13 PHE HBx 1.0 1.8 3.5 431 350 A 15 SER H A 15 SER HBy 1.0 1.8 3.5 432 350 A 15 SER H A 15 SER HBx 1.0 1.8 3.5 433 351 A 16 GLU H A 15 SER HBy 1.0 1.8 3.5 434 351 A 16 GLU H A 15 SER HBx 1.0 1.8 3.5 435 352 A 20 ARG H A 20 ARG HGx 1.0 1.8 3.5 436 352 A 20 ARG H A 20 ARG HGy 1.0 1.8 3.5 437 353 A 20 ARG HA A 23 LEU HBy 1.0 1.8 2.7 438 353 A 20 ARG HA A 23 LEU HBx 1.0 1.8 2.7 439 354 A 20 ARG HD3 A 20 ARG HGx 1.0 1.8 2.7 440 354 A 20 ARG HD2 A 20 ARG HGx 1.0 1.8 2.7 441 354 A 20 ARG HGy A 20 ARG HD2 1.0 1.8 2.7 442 354 A 20 ARG HD3 A 20 ARG HGy 1.0 1.8 2.7 443 355 A 21 GLU H A 21 GLU HGx 1.0 1.8 5.0 444 355 A 21 GLU H A 21 GLU HGy 1.0 1.8 5.0 445 356 A 21 GLU HB2 A 21 GLU HGx 1.0 1.8 2.7 446 356 A 21 GLU HB2 A 21 GLU HGy 1.0 1.8 2.7 447 357 A 23 LEU H A 23 LEU HBy 1.0 1.8 2.7 448 357 A 23 LEU H A 23 LEU HBx 1.0 1.8 2.7 449 358 A 24 GLN H A 24 GLN HBx 1.0 1.8 2.7 450 358 A 24 GLN H A 24 GLN HBy 1.0 1.8 2.7 451 359 A 24 GLN HA A 24 GLN HGx 1.0 1.8 3.5 452 359 A 24 GLN HA A 24 GLN HGy 1.0 1.8 3.5 453 360 A 25 THR H A 24 GLN HBx 1.0 1.8 5.0 454 360 A 25 THR H A 24 GLN HBy 1.0 1.8 5.0 455 361 A 27 ARG H A 27 ARG HBy 1.0 1.8 3.5 456 361 A 27 ARG H A 27 ARG HBx 1.0 1.8 3.5 457 362 A 27 ARG HA A 27 ARG HBy 1.0 1.8 2.7 458 362 A 27 ARG HA A 27 ARG HBx 1.0 1.8 2.7 459 363 A 31 LYS H A 31 LYS HBx 1.0 1.8 3.5 460 363 A 31 LYS H A 31 LYS HBy 1.0 1.8 3.5 461 364 A 31 LYS HA A 31 LYS HGy 1.0 1.8 3.5 462 364 A 31 LYS HA A 31 LYS HGx 1.0 1.8 3.5 463 365 A 45 LEU HA A 33 TYR HBx 1.0 1.8 3.5 464 365 A 45 LEU HA A 33 TYR HBy 1.0 1.8 3.5 465 366 A 48 LEU HG A 33 TYR HBx 1.0 1.8 3.5 466 366 A 33 TYR HBy A 48 LEU HG 1.0 1.8 3.5 467 367 A 48 LEU HD1% A 33 TYR HBx 1.0 1.8 3.5 468 367 A 48 LEU HD1% A 33 TYR HBy 1.0 1.8 3.5 469 368 A 37 ILE HG2% A 37 ILE HG1y 1.0 1.8 3.5 470 368 A 37 ILE HG2% A 37 ILE HG1x 1.0 1.8 3.5 471 369 A 37 ILE HD1% A 55 HIS HBx 1.0 1.8 3.5 472 369 A 37 ILE HD1% A 55 HIS HBy 1.0 1.8 3.5 473 370 A 40 GLU H A 40 GLU HBx 1.0 1.8 2.7 474 370 A 40 GLU H A 40 GLU HBy 1.0 1.8 2.7 475 371 A 40 GLU HA A 40 GLU HGx 1.0 1.8 3.5 476 371 A 40 GLU HA A 40 GLU HGy 1.0 1.8 3.5 477 372 A 45 LEU H A 44 SER HBx 1.0 1.8 2.7 478 372 A 45 LEU H A 44 SER HBy 1.0 1.8 2.7 479 373 A 45 LEU HA A 45 LEU HBy 1.0 1.8 2.7 480 373 A 45 LEU HA A 45 LEU HBx 1.0 1.8 2.7 481 374 A 45 LEU HA A 45 LEU HDx% 1.0 1.8 3.5 482 374 A 45 LEU HA A 45 LEU HDy% 1.0 1.8 3.5 483 375 A 45 LEU HBy A 45 LEU HDx% 1.0 1.8 2.7 484 375 A 45 LEU HBx A 45 LEU HDx% 1.0 1.8 2.7 485 375 A 45 LEU HDy% A 45 LEU HBy 1.0 1.8 2.7 486 375 A 45 LEU HBx A 45 LEU HDy% 1.0 1.8 2.7 487 376 A 46 LEU H A 46 LEU HBy 1.0 1.8 3.5 488 376 A 46 LEU H A 46 LEU HBx 1.0 1.8 3.5 489 377 A 46 LEU HA A 46 LEU HBy 1.0 1.8 2.7 490 377 A 46 LEU HA A 46 LEU HBx 1.0 1.8 2.7 491 378 A 46 LEU HA A 46 LEU HDx% 1.0 1.8 3.5 492 378 A 46 LEU HA A 46 LEU HDy% 1.0 1.8 3.5 493 379 A 46 LEU HBy A 46 LEU HDx% 1.0 1.8 2.7 494 379 A 46 LEU HBx A 46 LEU HDx% 1.0 1.8 2.7 495 379 A 46 LEU HDy% A 46 LEU HBy 1.0 1.8 2.7 496 379 A 46 LEU HBx A 46 LEU HDy% 1.0 1.8 2.7 497 380 A 47 THR H A 46 LEU HBy 1.0 1.8 3.5 498 380 A 47 THR H A 46 LEU HBx 1.0 1.8 3.5 499 381 A 47 THR HA A 50 GLU HGx 1.0 1.8 5.0 500 381 A 47 THR HA A 50 GLU HGy 1.0 1.8 5.0 501 382 A 50 GLU H A 50 GLU HGx 1.0 1.8 3.5 502 382 A 50 GLU H A 50 GLU HGy 1.0 1.8 3.5 503 383 A 50 GLU HA A 50 GLU HGx 1.0 1.8 3.5 504 383 A 50 GLU HA A 50 GLU HGy 1.0 1.8 3.5 505 384 A 52 LYS HB2 A 52 LYS HEy 1.0 1.8 3.5 506 384 A 52 LYS HB3 A 52 LYS HEy 1.0 1.8 3.5 507 384 A 52 LYS HEx A 52 LYS HB2 1.0 1.8 3.5 508 384 A 52 LYS HB3 A 52 LYS HEx 1.0 1.8 3.5 509 385 A 52 LYS HEy A 52 LYS HGy 1.0 1.8 3.5 510 385 A 52 LYS HEx A 52 LYS HGy 1.0 1.8 3.5 511 385 A 52 LYS HGx A 52 LYS HEy 1.0 1.8 3.5 512 385 A 52 LYS HEx A 52 LYS HGx 1.0 1.8 3.5 513 386 A 55 HIS H A 55 HIS HBx 1.0 1.8 2.7 514 386 A 55 HIS H A 55 HIS HBy 1.0 1.8 2.7 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _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 GLY C A 3 SER N A 3 SER CA A 3 SER C 1.0 -153.6 -40.0 PHI 2 2 A 3 SER C A 4 HIS N A 4 HIS CA A 4 HIS C 1.0 -149.5 -58.5 PHI 3 3 A 4 HIS C A 5 LYS N A 5 LYS CA A 5 LYS C 1.0 -142.3 -90.3 PHI 4 4 A 7 ASN C A 8 VAL N A 8 VAL CA A 8 VAL C 1.0 -127.8 -56.6 PHI 5 5 A 10 SER C A 11 ARG N A 11 ARG CA A 11 ARG C 1.0 -114.8 -60.4 PHI 6 6 A 11 ARG C A 12 THR N A 12 THR CA A 12 THR C 1.0 -190.6 -70.2 PHI 7 7 A 12 THR C A 13 PHE N A 13 PHE CA A 13 PHE C 1.0 -164.0 -84.2 PHI 8 8 A 14 PHE C A 15 SER N A 15 SER CA A 15 SER C 1.0 -186.6 -83.2 PHI 9 9 A 15 SER C A 16 GLU N A 16 GLU CA A 16 GLU C 1.0 -87.2 -47.8 PHI 10 10 A 16 GLU C A 17 ASN N A 17 ASN CA A 17 ASN C 1.0 -72.3 -55.3 PHI 11 11 A 17 ASN C A 18 GLY N A 18 GLY CA A 18 GLY C 1.0 -86.0 -51.0 PHI 12 12 A 18 GLY C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 -73.5 -57.3 PHI 13 13 A 19 LEU C A 20 ARG N A 20 ARG CA A 20 ARG C 1.0 -71.8 -53.2 PHI 14 14 A 20 ARG C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -75.3 -50.3 PHI 15 15 A 21 GLU C A 22 HIS N A 22 HIS CA A 22 HIS C 1.0 -72.6 -56.8 PHI 16 16 A 22 HIS C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -87.8 -43.8 PHI 17 17 A 23 LEU C A 24 GLN N A 24 GLN CA A 24 GLN C 1.0 -77.9 -49.3 PHI 18 18 A 24 GLN C A 25 THR N A 25 THR CA A 25 THR C 1.0 -116.3 -38.5 PHI 19 19 A 25 THR C A 26 HIS N A 26 HIS CA A 26 HIS C 1.0 -147.5 -55.5 PHI 20 20 A 26 HIS C A 27 ARG N A 27 ARG CA A 27 ARG C 1.0 -143.5 -55.5 PHI 21 21 A 32 HIS C A 33 TYR N A 33 TYR CA A 33 TYR C 1.0 -141.0 -66.6 PHI 22 22 A 33 TYR C A 34 MET N A 34 MET CA A 34 MET C 1.0 -129.7 -87.7 PHI 23 23 A 34 MET C A 35 CYS N A 35 CYS CA A 35 CYS C 1.0 -148.3 -43.9 PHI 24 24 A 36 PRO C A 37 ILE N A 37 ILE CA A 37 ILE C 1.0 -99.0 -39.6 PHI 25 25 A 37 ILE C A 38 CYS N A 38 CYS CA A 38 CYS C 1.0 -136.5 -78.5 PHI 26 26 A 39 GLY C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -139.4 -48.6 PHI 27 27 A 40 GLU C A 41 ARG N A 41 ARG CA A 41 ARG C 1.0 -163.5 -69.7 PHI 28 28 A 41 ARG C A 42 PHE N A 42 PHE CA A 42 PHE C 1.0 -176.1 -60.3 PHI 29 29 A 43 PRO C A 44 SER N A 44 SER CA A 44 SER C 1.0 -167.0 -61.0 PHI 30 30 A 46 LEU C A 47 THR N A 47 THR CA A 47 THR C 1.0 -81.6 -51.0 PHI 31 31 A 47 THR C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -73.3 -57.3 PHI 32 32 A 48 LEU C A 49 THR N A 49 THR CA A 49 THR C 1.0 -76.6 -53.0 PHI 33 33 A 49 THR C A 50 GLU N A 50 GLU CA A 50 GLU C 1.0 -71.7 -51.5 PHI 34 34 A 50 GLU C A 51 HIS N A 51 HIS CA A 51 HIS C 1.0 -76.9 -51.7 PHI 35 35 A 51 HIS C A 52 LYS N A 52 LYS CA A 52 LYS C 1.0 -70.1 -54.5 PHI 36 36 A 52 LYS C A 53 VAL N A 53 VAL CA A 53 VAL C 1.0 -77.4 -49.2 PHI 37 37 A 53 VAL C A 54 THR N A 54 THR CA A 54 THR C 1.0 -120.4 -66.6 PHI 38 38 A 3 SER N A 3 SER CA A 3 SER C A 4 HIS N 1.0 106.9 156.9 PSI 39 39 A 4 HIS N A 4 HIS CA A 4 HIS C A 5 LYS N 1.0 72.2 175.0 PSI 40 40 A 5 LYS N A 5 LYS CA A 5 LYS C A 6 CYS N 1.0 102.0 151.6 PSI 41 41 A 8 VAL N A 8 VAL CA A 8 VAL C A 9 CYS N 1.0 -55.8 -15.4 PSI 42 42 A 12 THR N A 12 THR CA A 12 THR C A 13 PHE N 1.0 114.7 191.9 PSI 43 43 A 13 PHE N A 13 PHE CA A 13 PHE C A 14 PHE N 1.0 137.3 183.1 PSI 44 44 A 15 SER N A 15 SER CA A 15 SER C A 16 GLU N 1.0 137.4 184.2 PSI 45 45 A 16 GLU N A 16 GLU CA A 16 GLU C A 17 ASN N 1.0 -52.6 -17.4 PSI 46 46 A 17 ASN N A 17 ASN CA A 17 ASN C A 18 GLY N 1.0 -56.6 -18.4 PSI 47 47 A 18 GLY N A 18 GLY CA A 18 GLY C A 19 LEU N 1.0 -50.6 -26.0 PSI 48 48 A 19 LEU N A 19 LEU CA A 19 LEU C A 20 ARG N 1.0 -48.4 -33.8 PSI 49 49 A 20 ARG N A 20 ARG CA A 20 ARG C A 21 GLU N 1.0 -65.7 -26.3 PSI 50 50 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 HIS N 1.0 -57.2 -26.2 PSI 51 51 A 22 HIS N A 22 HIS CA A 22 HIS C A 23 LEU N 1.0 -52.3 -28.7 PSI 52 52 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 GLN N 1.0 -62.4 -20.0 PSI 53 53 A 24 GLN N A 24 GLN CA A 24 GLN C A 25 THR N 1.0 -55.4 -15.2 PSI 54 54 A 25 THR N A 25 THR CA A 25 THR C A 26 HIS N 1.0 -68.5 15.3 PSI 55 55 A 26 HIS N A 26 HIS CA A 26 HIS C A 27 ARG N 1.0 -22.7 37.3 PSI 56 56 A 27 ARG N A 27 ARG CA A 27 ARG C A 28 GLY N 1.0 -42.5 35.3 PSI 57 57 A 29 PRO N A 29 PRO CA A 29 PRO C A 30 ALA N 1.0 124.3 160.1 PSI 58 58 A 33 TYR N A 33 TYR CA A 33 TYR C A 34 MET N 1.0 89.5 155.1 PSI 59 59 A 34 MET N A 34 MET CA A 34 MET C A 35 CYS N 1.0 104.3 140.9 PSI 60 60 A 35 CYS N A 35 CYS CA A 35 CYS C A 36 PRO N 1.0 88.1 143.5 PSI 61 61 A 37 ILE N A 37 ILE CA A 37 ILE C A 38 CYS N 1.0 -47.7 8.1 PSI 62 62 A 38 CYS N A 38 CYS CA A 38 CYS C A 39 GLY N 1.0 -38.6 15.4 PSI 63 63 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 ARG N 1.0 65.3 175.5 PSI 64 64 A 41 ARG N A 41 ARG CA A 41 ARG C A 42 PHE N 1.0 123.7 174.1 PSI 65 65 A 42 PHE N A 42 PHE CA A 42 PHE C A 43 PRO N 1.0 55.2 184.6 PSI 66 66 A 44 SER N A 44 SER CA A 44 SER C A 45 LEU N 1.0 134.5 177.5 PSI 67 67 A 46 LEU N A 46 LEU CA A 46 LEU C A 47 THR N 1.0 -51.5 -35.5 PSI 68 68 A 47 THR N A 47 THR CA A 47 THR C A 48 LEU N 1.0 -53.1 -26.3 PSI 69 69 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 THR N 1.0 -56.4 -29.2 PSI 70 70 A 49 THR N A 49 THR CA A 49 THR C A 50 GLU N 1.0 -51.9 -32.9 PSI 71 71 A 50 GLU N A 50 GLU CA A 50 GLU C A 51 HIS N 1.0 -56.9 -27.5 PSI 72 72 A 51 HIS N A 51 HIS CA A 51 HIS C A 52 LYS N 1.0 -57.2 -26.8 PSI 73 73 A 52 LYS N A 52 LYS CA A 52 LYS C A 53 VAL N 1.0 -50.6 -36.0 PSI 74 74 A 53 VAL N A 53 VAL CA A 53 VAL C A 54 THR N 1.0 -43.3 -13.9 PSI 75 75 A 54 THR N A 54 THR CA A 54 THR C A 55 HIS N 1.0 -55.9 29.5 PSI stop_ save_