data_nef_c18586_2lvr 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2LVR PDB 2LVT PDB 2LVU stop_ 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 26 HIS NE2 2 1 ZN ZN 1 22 HIS NE2 2 1 ZN ZN 1 9 CYS SG 2 1 ZN ZN 1 6 CYS SG 2 1 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 LYS middle . . 3 A 3 PRO middle . false 4 A 4 TYR middle . . 5 A 5 VAL middle . . 6 A 6 CYS middle -HG . 7 A 7 ILE middle . . 8 A 8 HIS middle . . 9 A 9 CYS middle -HG . 10 A 10 GLN middle . . 11 A 11 ARG middle . . 12 A 12 GLN middle . . 13 A 13 PHE middle . . 14 A 14 ALA middle . . 15 A 15 ASP middle . . 16 A 16 PRO middle . false 17 A 17 GLY middle . false 18 A 18 ALA middle . . 19 A 19 LEU middle . . 20 A 20 GLN middle . . 21 A 21 ARG middle . . 22 A 22 HIS middle -HE2 . 23 A 23 VAL middle . . 24 A 24 ARG middle . . 25 A 25 ILE middle . . 26 A 26 HIS middle -HE2 . 27 A 27 THR middle . . 28 A 28 GLY middle . false 29 A 29 GLU middle . . 30 A 30 LYS middle . . 31 A 31 PRO middle . false 32 A 32 CYS middle . . 33 A 33 GLN middle . . 34 A 34 CYS middle . . 35 A 35 VAL middle . . 36 A 36 MET middle . . 37 A 37 CYS middle . . 38 A 38 GLY middle . false 39 A 39 LYS middle . . 40 A 40 ALA middle . . 41 A 41 PHE middle . . 42 A 42 THR middle . . 43 A 43 GLN middle . . 44 A 44 ALA middle . . 45 A 45 SER middle . . 46 A 46 SER middle . . 47 A 47 LEU middle . . 48 A 48 ILE middle . . 49 A 49 ALA middle . . 50 A 50 HIS middle . . 51 A 51 VAL middle . . 52 A 52 ARG middle . . 53 A 53 GLN middle . . 54 A 54 HIS middle . . 55 A 55 THR middle . . 56 A 56 GLY middle . false 57 A 57 GLU middle . . 58 A 58 LYS middle . . 59 A 59 PRO middle . false 60 A 60 TYR middle . . 61 A 61 VAL middle . . 62 A 62 CYS middle . . 63 A 63 GLU middle . . 64 A 64 ARG middle . . 65 A 65 CYS middle . . 66 A 66 GLY middle . false 67 A 67 LYS middle . . 68 A 68 ARG middle . . 69 A 69 PHE middle . . 70 A 70 VAL middle . . 71 A 71 GLN middle . . 72 A 72 SER middle . . 73 A 73 SER middle . . 74 A 74 GLN middle . . 75 A 75 LEU middle . . 76 A 76 ALA middle . . 77 A 77 ASN middle . . 78 A 78 HIS middle . . 79 A 79 ILE middle . . 80 A 80 ARG middle . . 81 A 81 HIS middle . . 82 A 82 HIS middle . . 83 A 83 ASP end . . 84 B 1 ZN . . . stop_ save_ save_assigned_chem_shift_list _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list 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 3 PRO HA H 1 4.187 0.013 A 3 PRO HBx H 1 1.233 0.003 A 3 PRO HBy H 1 1.904 0.011 A 3 PRO HDx H 1 3.596 0.006 A 3 PRO HDy H 1 3.667 0.022 A 3 PRO HGx H 1 1.551 0.009 A 3 PRO HGy H 1 1.743 0.028 A 3 PRO C C 13 176.021 0.2 A 3 PRO CA C 13 63.467 0.033 A 3 PRO CB C 13 32.306 0.069 A 3 PRO CD C 13 49.929 0.034 A 3 PRO CG C 13 26.582 0.016 A 4 TYR H H 1 7.733 0.008 A 4 TYR HA H 1 4.500 0.011 A 4 TYR HBx H 1 2.734 0.011 A 4 TYR HBy H 1 2.861 0.004 A 4 TYR HDx H 1 6.878 0.009 A 4 TYR HDy H 1 6.878 0.009 A 4 TYR C C 13 174.332 0.2 A 4 TYR CA C 13 57.954 0.034 A 4 TYR CB C 13 38.475 0.034 A 4 TYR CDx C 13 136.107 0.009 A 4 TYR CDy C 13 136.107 0.009 A 4 TYR N N 15 118.693 0.043 A 5 VAL H H 1 8.420 0.008 A 5 VAL HA H 1 4.634 0.009 A 5 VAL HB H 1 1.712 0.011 A 5 VAL HGx% H 1 0.640 0.011 A 5 VAL HGy% H 1 0.653 0.012 A 5 VAL C C 13 174.141 0.2 A 5 VAL CA C 13 60.269 0.012 A 5 VAL CB C 13 34.830 0.027 A 5 VAL CG1 C 13 20.921 0.2 A 5 VAL CG2 C 13 20.921 0.2 A 5 VAL N N 15 123.592 0.033 A 6 CYS H H 1 9.004 0.005 A 6 CYS HA H 1 4.486 0.015 A 6 CYS HB2 H 1 2.747 0.016 A 6 CYS HB3 H 1 3.281 0.015 A 6 CYS C C 13 177.123 0.2 A 6 CYS CA C 13 59.271 0.045 A 6 CYS CB C 13 29.754 0.045 A 6 CYS N N 15 128.449 0.031 A 7 ILE H H 1 8.658 0.006 A 7 ILE HA H 1 3.929 0.015 A 7 ILE HB H 1 1.710 0.009 A 7 ILE HD1% H 1 0.597 0.004 A 7 ILE HG12 H 1 0.968 0.007 A 7 ILE HG13 H 1 0.968 0.007 A 7 ILE HG2% H 1 0.658 0.007 A 7 ILE C C 13 175.653 0.2 A 7 ILE CA C 13 63.258 0.023 A 7 ILE CB C 13 37.975 0.06 A 7 ILE CD1 C 13 13.836 0.09 A 7 ILE CG1 C 13 26.684 0.059 A 7 ILE CG2 C 13 17.445 0.056 A 7 ILE N N 15 128.379 0.044 A 8 HIS H H 1 8.502 0.011 A 8 HIS HA H 1 4.238 0.017 A 8 HIS HB2 H 1 1.802 0.011 A 8 HIS HB3 H 1 2.231 0.015 A 8 HIS C C 13 176.780 0.2 A 8 HIS CA C 13 57.836 0.054 A 8 HIS CB C 13 29.345 0.03 A 8 HIS N N 15 121.674 0.03 A 9 CYS H H 1 7.942 0.007 A 9 CYS HA H 1 5.041 0.018 A 9 CYS HBx H 1 2.745 0.012 A 9 CYS HBy H 1 3.346 0.014 A 9 CYS C C 13 174.989 0.2 A 9 CYS CA C 13 58.494 0.016 A 9 CYS CB C 13 32.209 0.03 A 9 CYS N N 15 115.764 0.035 A 10 GLN H H 1 8.191 0.006 A 10 GLN HA H 1 3.880 0.015 A 10 GLN HBx H 1 2.189 0.003 A 10 GLN HBy H 1 2.333 0.003 A 10 GLN HE21 H 1 6.363 0.004 A 10 GLN HE22 H 1 7.092 0.003 A 10 GLN HG2 H 1 2.115 0.013 A 10 GLN HG3 H 1 2.115 0.013 A 10 GLN C C 13 174.724 0.2 A 10 GLN CA C 13 58.438 0.035 A 10 GLN CB C 13 25.356 0.013 A 10 GLN CG C 13 34.322 0.035 A 10 GLN N N 15 116.329 0.021 A 10 GLN NE2 N 15 111.990 0.022 A 11 ARG H H 1 7.844 0.007 A 11 ARG HA H 1 3.935 0.013 A 11 ARG HBx H 1 1.219 0.015 A 11 ARG HBy H 1 1.383 0.008 A 11 ARG HDx H 1 2.789 0.007 A 11 ARG HDy H 1 3.001 0.011 A 11 ARG HG2 H 1 1.724 0.011 A 11 ARG HG3 H 1 1.724 0.011 A 11 ARG C C 13 174.125 0.2 A 11 ARG CA C 13 57.912 0.025 A 11 ARG CB C 13 31.307 0.048 A 11 ARG CD C 13 43.622 0.2 A 11 ARG CG C 13 28.383 0.2 A 11 ARG N N 15 121.213 0.028 A 12 GLN H H 1 7.860 0.007 A 12 GLN HA H 1 4.856 0.014 A 12 GLN HBx H 1 1.630 0.013 A 12 GLN HBy H 1 1.758 0.005 A 12 GLN HE21 H 1 6.637 0.008 A 12 GLN HE22 H 1 7.488 0.003 A 12 GLN HGx H 1 2.031 0.01 A 12 GLN HGy H 1 2.255 0.016 A 12 GLN C C 13 175.080 0.2 A 12 GLN CA C 13 54.345 0.059 A 12 GLN CB C 13 31.148 0.069 A 12 GLN CG C 13 33.754 0.048 A 12 GLN N N 15 119.072 0.031 A 12 GLN NE2 N 15 111.271 0.003 A 13 PHE H H 1 8.888 0.011 A 13 PHE HA H 1 4.487 0.003 A 13 PHE HB2 H 1 2.566 0.015 A 13 PHE HB3 H 1 3.133 0.012 A 13 PHE HDx H 1 7.031 0.002 A 13 PHE HDy H 1 7.031 0.002 A 13 PHE C C 13 174.976 0.2 A 13 PHE CA C 13 57.278 0.019 A 13 PHE CB C 13 43.350 0.034 A 13 PHE CDx C 13 135.106 0.013 A 13 PHE CDy C 13 135.106 0.013 A 13 PHE N N 15 119.084 0.026 A 14 ALA H H 1 8.962 0.003 A 14 ALA HA H 1 4.432 0.014 A 14 ALA HB% H 1 1.444 0.01 A 14 ALA C C 13 176.590 0.2 A 14 ALA CA C 13 53.149 0.044 A 14 ALA CB C 13 19.805 0.029 A 14 ALA N N 15 121.775 0.047 A 15 ASP H H 1 7.351 0.006 A 15 ASP HA H 1 4.737 0.02 A 15 ASP HBx H 1 2.565 0.014 A 15 ASP HBy H 1 2.690 0.013 A 15 ASP CA C 13 51.230 0.058 A 15 ASP CB C 13 42.660 0.014 A 15 ASP N N 15 114.226 0.019 A 16 PRO HA H 1 3.446 0.005 A 16 PRO HDx H 1 3.075 0.01 A 16 PRO HDy H 1 3.614 0.063 A 16 PRO C C 13 178.827 0.2 A 16 PRO CA C 13 64.165 0.026 A 16 PRO CB C 13 31.085 0.022 A 16 PRO CD C 13 49.894 0.036 A 16 PRO CG C 13 26.784 0.2 A 17 GLY H H 1 8.254 0.006 A 17 GLY HA2 H 1 3.639 0.019 A 17 GLY HA3 H 1 3.639 0.019 A 17 GLY C C 13 175.863 0.2 A 17 GLY CA C 13 46.690 0.027 A 17 GLY N N 15 110.007 0.066 A 18 ALA H H 1 8.022 0.008 A 18 ALA HA H 1 3.841 0.022 A 18 ALA HB% H 1 1.497 0.011 A 18 ALA C C 13 180.540 0.2 A 18 ALA CA C 13 54.562 0.027 A 18 ALA CB C 13 18.794 0.027 A 18 ALA N N 15 125.453 0.028 A 19 LEU H H 1 6.804 0.006 A 19 LEU HA H 1 3.013 0.013 A 19 LEU HB2 H 1 1.039 0.006 A 19 LEU HB3 H 1 1.731 0.011 A 19 LEU HDx% H 1 0.791 0.011 A 19 LEU HDy% H 1 0.879 0.023 A 19 LEU C C 13 176.841 0.2 A 19 LEU CA C 13 57.723 0.029 A 19 LEU CB C 13 40.447 0.06 A 19 LEU CD1 C 13 23.328 0.2 A 19 LEU CD2 C 13 23.328 0.2 A 19 LEU N N 15 118.428 0.012 A 20 GLN H H 1 7.931 0.008 A 20 GLN HA H 1 3.790 0.014 A 20 GLN HBx H 1 2.027 0.014 A 20 GLN HBy H 1 2.045 0.013 A 20 GLN HGx H 1 2.210 0.002 A 20 GLN HGy H 1 2.288 0.004 A 20 GLN C C 13 178.290 0.2 A 20 GLN CA C 13 58.675 0.009 A 20 GLN CB C 13 27.969 0.006 A 20 GLN CG C 13 33.427 0.022 A 20 GLN N N 15 118.513 0.023 A 21 ARG H H 1 7.727 0.004 A 21 ARG HA H 1 3.822 0.011 A 21 ARG HBx H 1 1.661 0.006 A 21 ARG HBy H 1 1.720 0.004 A 21 ARG HDx H 1 3.010 0.003 A 21 ARG HDy H 1 3.154 0.004 A 21 ARG HG2 H 1 1.360 0.008 A 21 ARG HG3 H 1 1.360 0.008 A 21 ARG C C 13 178.324 0.2 A 21 ARG CA C 13 58.956 0.09 A 21 ARG CB C 13 30.353 0.003 A 21 ARG CD C 13 43.232 0.012 A 21 ARG CG C 13 28.086 0.0 A 21 ARG N N 15 116.497 0.045 A 22 HIS H H 1 7.374 0.008 A 22 HIS HA H 1 4.131 0.016 A 22 HIS HB2 H 1 2.723 0.014 A 22 HIS HB3 H 1 2.911 0.011 A 22 HIS HD2 H 1 6.848 0.008 A 22 HIS C C 13 176.672 0.2 A 22 HIS CA C 13 59.068 0.032 A 22 HIS CB C 13 28.490 0.025 A 22 HIS CD2 C 13 130.313 0.0 A 22 HIS N N 15 118.228 0.022 A 23 VAL H H 1 8.270 0.007 A 23 VAL HA H 1 3.494 0.018 A 23 VAL HB H 1 2.243 0.012 A 23 VAL HG1% H 1 1.232 0.009 A 23 VAL HG2% H 1 1.232 0.009 A 23 VAL C C 13 176.856 0.2 A 23 VAL CA C 13 65.990 0.054 A 23 VAL CB C 13 31.834 0.06 A 23 VAL CG1 C 13 21.940 0.03 A 23 VAL CG2 C 13 21.940 0.03 A 23 VAL N N 15 114.222 0.038 A 24 ARG H H 1 6.764 0.01 A 24 ARG HA H 1 3.974 0.005 A 24 ARG HB2 H 1 1.741 0.0 A 24 ARG HB3 H 1 1.741 0.0 A 24 ARG HD2 H 1 3.061 0.006 A 24 ARG HD3 H 1 3.067 0.002 A 24 ARG HGx H 1 1.550 0.003 A 24 ARG HGy H 1 1.655 0.003 A 24 ARG C C 13 178.102 0.2 A 24 ARG CA C 13 57.940 0.0 A 24 ARG CB C 13 29.865 0.005 A 24 ARG CD C 13 43.555 0.2 A 24 ARG CG C 13 27.154 0.0 A 24 ARG N N 15 118.135 0.046 A 25 ILE H H 1 7.682 0.009 A 25 ILE HA H 1 3.844 0.011 A 25 ILE HB H 1 1.589 0.009 A 25 ILE HD1% H 1 0.544 0.006 A 25 ILE HG12 H 1 0.763 0.018 A 25 ILE HG13 H 1 0.763 0.018 A 25 ILE HG2% H 1 0.455 0.005 A 25 ILE C C 13 177.015 0.2 A 25 ILE CA C 13 62.939 0.017 A 25 ILE CB C 13 37.491 0.025 A 25 ILE CD1 C 13 14.433 0.014 A 25 ILE CG1 C 13 26.244 0.058 A 25 ILE CG2 C 13 16.211 0.044 A 25 ILE N N 15 115.964 0.027 A 26 HIS H H 1 7.282 0.009 A 26 HIS HA H 1 4.551 0.01 A 26 HIS HBx H 1 2.524 0.007 A 26 HIS HBy H 1 2.624 0.011 A 26 HIS HD2 H 1 6.570 0.006 A 26 HIS HE1 H 1 7.930 0.006 A 26 HIS C C 13 175.472 0.2 A 26 HIS CA C 13 55.107 0.077 A 26 HIS CB C 13 27.955 0.062 A 26 HIS CD2 C 13 131.261 0.018 A 26 HIS CE1 C 13 142.684 0.2 A 26 HIS N N 15 117.871 0.051 A 27 THR H H 1 7.534 0.014 A 27 THR HA H 1 4.125 0.018 A 27 THR HB H 1 4.156 0.007 A 27 THR HG2% H 1 1.069 0.019 A 27 THR C C 13 175.062 0.2 A 27 THR CA C 13 62.725 0.038 A 27 THR CB C 13 69.495 0.054 A 27 THR N N 15 112.240 0.029 A 28 GLY H H 1 8.112 0.011 A 28 GLY HAy H 1 3.879 0.007 A 28 GLY HAx H 1 3.813 0.003 A 28 GLY C C 13 173.918 0.2 A 28 GLY CA C 13 45.243 0.046 A 28 GLY N N 15 110.227 0.029 A 29 GLU H H 1 7.885 0.003 A 29 GLU HA H 1 4.048 0.015 A 29 GLU HBx H 1 1.842 0.018 A 29 GLU HBy H 1 1.893 0.004 A 29 GLU HGy H 1 2.169 0.006 A 29 GLU HGx H 1 2.115 0.01 A 29 GLU C C 13 176.166 0.2 A 29 GLU CA C 13 56.901 0.02 A 29 GLU CB C 13 30.255 0.05 A 29 GLU CG C 13 36.152 0.019 A 29 GLU N N 15 119.771 0.041 A 30 LYS H H 1 8.075 0.003 A 30 LYS HA H 1 4.455 0.021 A 30 LYS CA C 13 53.768 0.2 A 30 LYS CB C 13 33.520 0.2 A 30 LYS N N 15 120.594 0.045 A 31 PRO HA H 1 4.401 0.008 A 31 PRO HBy H 1 2.123 0.006 A 31 PRO HBx H 1 2.081 0.009 A 31 PRO HDx H 1 3.568 0.013 A 31 PRO HDy H 1 3.620 0.022 A 31 PRO HGx H 1 1.839 0.004 A 31 PRO HGy H 1 1.901 0.01 A 31 PRO C C 13 176.585 0.2 A 31 PRO CA C 13 63.434 0.063 A 31 PRO CB C 13 32.293 0.025 A 31 PRO CG C 13 26.643 0.002 A 32 CYS H H 1 8.356 0.007 A 32 CYS HA H 1 4.514 0.05 A 32 CYS C C 13 173.747 0.2 A 32 CYS CA C 13 57.325 0.07 A 32 CYS CB C 13 35.049 0.2 A 32 CYS N N 15 117.577 0.046 A 33 GLN H H 1 8.372 0.01 A 33 GLN HA H 1 5.021 0.011 A 33 GLN HBx H 1 1.656 0.008 A 33 GLN HBy H 1 1.714 0.006 A 33 GLN HG2 H 1 1.912 0.016 A 33 GLN HG3 H 1 1.912 0.016 A 33 GLN C C 13 175.002 0.2 A 33 GLN CA C 13 54.101 0.038 A 33 GLN CB C 13 32.361 0.05 A 33 GLN CG C 13 33.837 0.2 A 33 GLN N N 15 120.137 0.023 A 34 CYS H H 1 8.993 0.008 A 34 CYS HA H 1 4.425 0.007 A 34 CYS HB2 H 1 2.783 0.014 A 34 CYS HB3 H 1 3.272 0.013 A 34 CYS C C 13 178.038 0.2 A 34 CYS CA C 13 59.220 0.045 A 34 CYS CB C 13 29.956 0.033 A 34 CYS N N 15 126.003 0.054 A 35 VAL H H 1 9.010 0.013 A 35 VAL HA H 1 3.971 0.02 A 35 VAL HB H 1 2.185 0.025 A 35 VAL HG1% H 1 0.925 0.014 A 35 VAL HG2% H 1 0.928 0.012 A 35 VAL C C 13 176.030 0.2 A 35 VAL CA C 13 64.030 0.051 A 35 VAL CB C 13 31.734 0.068 A 35 VAL CG1 C 13 20.386 0.007 A 35 VAL CG2 C 13 20.386 0.007 A 35 VAL N N 15 129.398 0.04 A 36 MET H H 1 8.726 0.007 A 36 MET HA H 1 4.215 0.031 A 36 MET HB2 H 1 2.170 0.015 A 36 MET HB3 H 1 2.170 0.015 A 36 MET HG2 H 1 2.208 0.001 A 36 MET HG3 H 1 2.208 0.001 A 36 MET C C 13 176.951 0.2 A 36 MET CA C 13 57.631 0.057 A 36 MET CB C 13 32.113 0.066 A 36 MET CG C 13 30.113 0.2 A 36 MET N N 15 120.946 0.056 A 37 CYS H H 1 8.038 0.012 A 37 CYS HA H 1 5.064 0.008 A 37 CYS HB2 H 1 2.756 0.011 A 37 CYS HB3 H 1 3.348 0.013 A 37 CYS C C 13 175.989 0.2 A 37 CYS CA C 13 58.484 0.023 A 37 CYS CB C 13 32.235 0.053 A 37 CYS N N 15 115.594 0.05 A 38 GLY H H 1 8.119 0.007 A 38 GLY HAx H 1 3.680 0.017 A 38 GLY HAy H 1 4.156 0.016 A 38 GLY C C 13 173.535 0.2 A 38 GLY CA C 13 45.994 0.03 A 38 GLY N N 15 113.363 0.031 A 39 LYS H H 1 7.877 0.005 A 39 LYS HA H 1 3.831 0.006 A 39 LYS HBx H 1 1.130 0.005 A 39 LYS HBy H 1 1.482 0.003 A 39 LYS HDx H 1 1.243 0.003 A 39 LYS HDy H 1 1.395 0.01 A 39 LYS HEx H 1 2.709 0.002 A 39 LYS HEy H 1 2.796 0.021 A 39 LYS HGx H 1 0.835 0.007 A 39 LYS HGy H 1 1.208 0.002 A 39 LYS C C 13 173.961 0.2 A 39 LYS CA C 13 58.248 0.036 A 39 LYS CB C 13 33.551 0.002 A 39 LYS CD C 13 29.114 0.0 A 39 LYS CE C 13 42.282 0.0 A 39 LYS CG C 13 25.737 0.2 A 39 LYS N N 15 123.490 0.03 A 40 ALA H H 1 7.890 0.005 A 40 ALA HA H 1 4.868 0.023 A 40 ALA HB% H 1 1.116 0.009 A 40 ALA C C 13 176.533 0.2 A 40 ALA CA C 13 50.845 0.053 A 40 ALA CB C 13 21.180 0.063 A 40 ALA N N 15 125.467 0.039 A 41 PHE H H 1 8.342 0.006 A 41 PHE HA H 1 4.538 0.012 A 41 PHE HB2 H 1 2.497 0.014 A 41 PHE HB3 H 1 3.110 0.017 A 41 PHE HDx H 1 7.032 0.003 A 41 PHE HDy H 1 7.032 0.003 A 41 PHE C C 13 174.934 0.2 A 41 PHE CA C 13 57.395 0.015 A 41 PHE CB C 13 44.113 0.039 A 41 PHE CDx C 13 135.325 0.029 A 41 PHE CDy C 13 135.325 0.029 A 41 PHE N N 15 117.232 0.03 A 42 THR H H 1 8.732 0.005 A 42 THR HA H 1 4.420 0.004 A 42 THR HB H 1 4.331 0.009 A 42 THR HG2% H 1 1.079 0.011 A 42 THR C C 13 174.386 0.2 A 42 THR CA C 13 62.005 0.074 A 42 THR CB C 13 69.488 0.083 A 42 THR CG2 C 13 22.213 0.2 A 42 THR N N 15 108.612 0.056 A 43 GLN H H 1 7.257 0.006 A 43 GLN HA H 1 4.623 0.008 A 43 GLN CA C 13 54.332 0.2 A 43 GLN CB C 13 31.631 0.2 A 43 GLN N N 15 118.161 0.025 A 44 ALA HA H 1 3.864 0.01 A 44 ALA HB% H 1 1.353 0.016 A 44 ALA C C 13 179.325 0.2 A 44 ALA CA C 13 55.569 0.055 A 44 ALA CB C 13 17.913 0.04 A 45 SER H H 1 8.744 0.001 A 45 SER HA H 1 2.864 0.01 A 45 SER HBy H 1 3.409 0.014 A 45 SER HBx H 1 3.217 0.011 A 45 SER C C 13 177.517 0.2 A 45 SER CA C 13 61.015 0.053 A 45 SER CB C 13 61.493 0.038 A 45 SER N N 15 111.824 0.018 A 46 SER H H 1 6.932 0.011 A 46 SER HA H 1 4.185 0.017 A 46 SER HBy H 1 4.231 0.05 A 46 SER HBx H 1 3.974 0.05 A 46 SER C C 13 175.729 0.2 A 46 SER CA C 13 60.656 0.059 A 46 SER CB C 13 62.578 0.085 A 46 SER N N 15 118.211 0.025 A 47 LEU H H 1 7.132 0.008 A 47 LEU HA H 1 2.801 0.01 A 47 LEU HB2 H 1 0.992 0.013 A 47 LEU HB3 H 1 1.848 0.012 A 47 LEU HDx% H 1 0.641 0.014 A 47 LEU HDy% H 1 0.780 0.007 A 47 LEU HG H 1 1.311 0.009 A 47 LEU C C 13 177.273 0.2 A 47 LEU CA C 13 57.883 0.074 A 47 LEU CB C 13 40.990 0.067 A 47 LEU N N 15 124.822 0.038 A 48 ILE H H 1 8.152 0.007 A 48 ILE HA H 1 3.457 0.012 A 48 ILE HB H 1 1.647 0.016 A 48 ILE HD1% H 1 0.670 0.009 A 48 ILE HG1y H 1 1.472 0.015 A 48 ILE HG1x H 1 1.041 0.008 A 48 ILE HG2% H 1 0.748 0.017 A 48 ILE C C 13 178.059 0.2 A 48 ILE CA C 13 64.674 0.051 A 48 ILE CB C 13 37.786 0.039 A 48 ILE CD1 C 13 12.592 0.021 A 48 ILE CG1 C 13 29.124 0.065 A 48 ILE CG2 C 13 16.934 0.044 A 48 ILE N N 15 118.672 0.05 A 49 ALA H H 1 7.237 0.006 A 49 ALA HA H 1 3.902 0.01 A 49 ALA HB% H 1 1.326 0.013 A 49 ALA C C 13 179.603 0.2 A 49 ALA CA C 13 54.762 0.041 A 49 ALA CB C 13 18.004 0.051 A 49 ALA N N 15 120.061 0.041 A 50 HIS H H 1 7.429 0.009 A 50 HIS HA H 1 4.078 0.017 A 50 HIS HB2 H 1 2.868 0.01 A 50 HIS HB3 H 1 3.050 0.015 A 50 HIS HD2 H 1 6.889 0.005 A 50 HIS C C 13 177.439 0.2 A 50 HIS CA C 13 59.262 0.025 A 50 HIS CB C 13 28.579 0.049 A 50 HIS CD2 C 13 130.313 0.0 A 50 HIS N N 15 117.236 0.063 A 51 VAL H H 1 8.581 0.007 A 51 VAL HA H 1 3.484 0.017 A 51 VAL HB H 1 2.112 0.014 A 51 VAL HG1% H 1 0.989 0.019 A 51 VAL HG2% H 1 1.213 0.015 A 51 VAL C C 13 178.460 0.2 A 51 VAL CA C 13 66.744 0.029 A 51 VAL CB C 13 31.657 0.046 A 51 VAL CG1 C 13 22.318 0.082 A 51 VAL CG2 C 13 22.318 0.082 A 51 VAL N N 15 119.094 0.02 A 52 ARG H H 1 7.397 0.01 A 52 ARG HA H 1 4.086 0.01 A 52 ARG C C 13 178.130 0.2 A 52 ARG CA C 13 58.801 0.2 A 52 ARG CB C 13 29.780 0.008 A 52 ARG CD C 13 43.414 0.2 A 52 ARG CG C 13 27.738 0.2 A 52 ARG N N 15 118.214 0.022 A 53 GLN H H 1 7.525 0.009 A 53 GLN HA H 1 3.992 0.013 A 53 GLN HBx H 1 1.791 0.012 A 53 GLN HBy H 1 1.836 0.01 A 53 GLN HGx H 1 2.145 0.006 A 53 GLN HGy H 1 2.231 0.011 A 53 GLN C C 13 177.537 0.2 A 53 GLN CA C 13 57.204 0.019 A 53 GLN CB C 13 27.940 0.015 A 53 GLN CG C 13 33.510 0.015 A 53 GLN N N 15 116.882 0.018 A 54 HIS H H 1 7.325 0.01 A 54 HIS HA H 1 4.585 0.004 A 54 HIS HB2 H 1 3.050 0.014 A 54 HIS HB3 H 1 3.240 0.012 A 54 HIS HD2 H 1 6.562 0.008 A 54 HIS HE1 H 1 7.926 0.007 A 54 HIS C C 13 175.986 0.2 A 54 HIS CA C 13 56.657 0.056 A 54 HIS CB C 13 28.544 0.017 A 54 HIS CD2 C 13 130.312 0.0 A 54 HIS CE1 C 13 142.684 0.2 A 54 HIS N N 15 116.588 0.026 A 55 THR H H 1 7.707 0.004 A 55 THR HA H 1 4.138 0.006 A 55 THR HB H 1 4.170 0.006 A 55 THR HG2% H 1 1.078 0.016 A 55 THR C C 13 175.140 0.2 A 55 THR CA C 13 62.768 0.041 A 55 THR CB C 13 69.576 0.052 A 55 THR N N 15 112.615 0.017 A 56 GLY H H 1 8.220 0.01 A 56 GLY HAx H 1 3.816 0.002 A 56 GLY HAy H 1 3.875 0.008 A 56 GLY C C 13 173.958 0.2 A 56 GLY CA C 13 45.302 0.018 A 56 GLY N N 15 111.071 0.044 A 57 GLU H H 1 7.900 0.004 A 57 GLU HA H 1 4.141 0.016 A 57 GLU HBx H 1 1.814 0.008 A 57 GLU HBy H 1 1.905 0.006 A 57 GLU HGx H 1 2.091 0.004 A 57 GLU HGy H 1 2.133 0.008 A 57 GLU C C 13 176.139 0.2 A 57 GLU CA C 13 56.455 0.087 A 57 GLU CB C 13 30.322 0.026 A 57 GLU CG C 13 36.063 0.005 A 57 GLU N N 15 120.313 0.005 A 58 LYS H H 1 8.207 0.011 A 58 LYS HA H 1 4.507 0.05 A 58 LYS CA C 13 54.031 0.2 A 58 LYS CB C 13 32.520 0.2 A 58 LYS N N 15 122.691 0.029 A 59 PRO HA H 1 4.229 0.01 A 59 PRO HBx H 1 1.324 0.01 A 59 PRO HBy H 1 1.929 0.009 A 59 PRO HDx H 1 3.455 0.006 A 59 PRO HDy H 1 3.604 0.01 A 59 PRO HGx H 1 1.624 0.003 A 59 PRO HGy H 1 1.761 0.01 A 59 PRO C C 13 175.793 0.2 A 59 PRO CA C 13 62.864 0.065 A 59 PRO CB C 13 32.179 0.045 A 59 PRO CD C 13 49.888 0.033 A 59 PRO CG C 13 26.838 0.005 A 60 TYR H H 1 8.103 0.012 A 60 TYR HA H 1 4.426 0.018 A 60 TYR HB2 H 1 2.776 0.017 A 60 TYR HB3 H 1 2.776 0.017 A 60 TYR HDx H 1 6.897 0.004 A 60 TYR HDy H 1 6.897 0.004 A 60 TYR C C 13 174.654 0.2 A 60 TYR CA C 13 57.478 0.081 A 60 TYR CB C 13 38.062 0.067 A 60 TYR CDx C 13 136.109 0.038 A 60 TYR CDy C 13 136.109 0.038 A 60 TYR N N 15 119.458 0.041 A 61 VAL H H 1 8.236 0.013 A 61 VAL HA H 1 4.593 0.018 A 61 VAL HB H 1 1.710 0.014 A 61 VAL HGx% H 1 0.615 0.012 A 61 VAL HGy% H 1 0.658 0.011 A 61 VAL C C 13 175.098 0.2 A 61 VAL CA C 13 60.902 0.042 A 61 VAL CB C 13 34.808 0.042 A 61 VAL CG1 C 13 21.069 0.015 A 61 VAL CG2 C 13 21.069 0.015 A 61 VAL N N 15 123.692 0.043 A 62 CYS H H 1 8.837 0.008 A 62 CYS HA H 1 4.496 0.013 A 62 CYS HB2 H 1 2.757 0.021 A 62 CYS HB3 H 1 3.281 0.015 A 62 CYS C C 13 177.172 0.2 A 62 CYS CA C 13 59.193 0.04 A 62 CYS CB C 13 29.875 0.037 A 62 CYS N N 15 128.744 0.025 A 63 GLU H H 1 9.397 0.008 A 63 GLU HA H 1 4.083 0.01 A 63 GLU HBx H 1 1.991 0.008 A 63 GLU HBy H 1 2.066 0.002 A 63 GLU HG2 H 1 2.245 0.014 A 63 GLU HG3 H 1 2.248 0.012 A 63 GLU C C 13 176.477 0.2 A 63 GLU CA C 13 58.437 0.066 A 63 GLU CB C 13 29.567 0.076 A 63 GLU CG C 13 36.089 0.049 A 63 GLU N N 15 132.308 0.023 A 64 ARG H H 1 8.730 0.004 A 64 ARG HA H 1 4.142 0.015 A 64 ARG HBx H 1 1.306 0.003 A 64 ARG HBy H 1 1.428 0.003 A 64 ARG HDx H 1 2.434 0.009 A 64 ARG HDy H 1 2.601 0.006 A 64 ARG HGx H 1 1.263 0.004 A 64 ARG HGy H 1 1.386 0.003 A 64 ARG C C 13 177.287 0.2 A 64 ARG CA C 13 58.003 0.041 A 64 ARG CB C 13 30.365 0.019 A 64 ARG CD C 13 42.845 0.002 A 64 ARG CG C 13 26.650 0.0 A 64 ARG N N 15 120.080 0.027 A 65 CYS H H 1 8.139 0.006 A 65 CYS HA H 1 5.121 0.018 A 65 CYS HB2 H 1 2.823 0.015 A 65 CYS HB3 H 1 3.352 0.013 A 65 CYS C C 13 176.073 0.2 A 65 CYS CA C 13 58.433 0.06 A 65 CYS CB C 13 32.677 0.058 A 65 CYS N N 15 115.270 0.027 A 66 GLY H H 1 8.260 0.007 A 66 GLY HAx H 1 3.609 0.017 A 66 GLY HAy H 1 4.117 0.013 A 66 GLY C C 13 173.561 0.2 A 66 GLY CA C 13 46.005 0.046 A 66 GLY N N 15 113.667 0.023 A 67 LYS H H 1 7.954 0.005 A 67 LYS HA H 1 3.816 0.016 A 67 LYS HBy H 1 1.325 0.005 A 67 LYS HBx H 1 1.084 0.003 A 67 LYS HD2 H 1 1.372 0.002 A 67 LYS HD3 H 1 1.372 0.002 A 67 LYS HEx H 1 2.784 0.015 A 67 LYS HEy H 1 2.828 0.009 A 67 LYS HGy H 1 1.297 0.003 A 67 LYS HGx H 1 0.904 0.007 A 67 LYS C C 13 173.840 0.2 A 67 LYS CA C 13 58.348 0.017 A 67 LYS CB C 13 33.472 0.009 A 67 LYS CD C 13 29.195 0.2 A 67 LYS CE C 13 42.139 0.2 A 67 LYS CG C 13 26.519 0.001 A 67 LYS N N 15 123.140 0.026 A 68 ARG H H 1 7.534 0.006 A 68 ARG HA H 1 5.091 0.012 A 68 ARG HBx H 1 1.314 0.01 A 68 ARG HBy H 1 1.671 0.008 A 68 ARG HDx H 1 3.015 0.014 A 68 ARG HDy H 1 3.128 0.004 A 68 ARG HGy H 1 1.607 0.006 A 68 ARG HGx H 1 1.249 0.007 A 68 ARG C C 13 175.397 0.2 A 68 ARG CA C 13 54.302 0.064 A 68 ARG CB C 13 33.529 0.032 A 68 ARG CD C 13 43.309 0.033 A 68 ARG CG C 13 28.285 0.033 A 68 ARG N N 15 119.054 0.02 A 69 PHE H H 1 8.823 0.005 A 69 PHE HA H 1 4.670 0.02 A 69 PHE HB2 H 1 2.458 0.016 A 69 PHE HB3 H 1 3.374 0.013 A 69 PHE HDx H 1 6.964 0.009 A 69 PHE HDy H 1 6.964 0.009 A 69 PHE C C 13 175.009 0.2 A 69 PHE CA C 13 56.798 0.011 A 69 PHE CB C 13 43.449 0.019 A 69 PHE CDx C 13 135.380 0.033 A 69 PHE CDy C 13 135.380 0.033 A 69 PHE N N 15 117.359 0.034 A 70 VAL H H 1 8.590 0.005 A 70 VAL HA H 1 4.170 0.014 A 70 VAL HB H 1 2.203 0.008 A 70 VAL HGx% H 1 1.020 0.007 A 70 VAL HGy% H 1 1.085 0.003 A 70 VAL C C 13 175.575 0.2 A 70 VAL CA C 13 64.666 0.057 A 70 VAL CB C 13 32.810 0.049 A 70 VAL CGx C 13 21.854 0.058 A 70 VAL CGy C 13 22.039 0.01 A 70 VAL N N 15 119.055 0.043 A 71 GLN H H 1 7.489 0.005 A 71 GLN HA H 1 4.758 0.01 A 71 GLN HB2 H 1 2.166 0.003 A 71 GLN HB3 H 1 1.595 0.019 A 71 GLN HGx H 1 2.262 0.011 A 71 GLN HGy H 1 2.304 0.01 A 71 GLN CA C 13 53.641 0.004 A 71 GLN CB C 13 32.115 0.055 A 71 GLN CG C 13 33.638 0.0 A 71 GLN N N 15 113.794 0.021 A 73 SER HA H 1 3.957 0.005 A 73 SER HB2 H 1 3.727 0.01 A 73 SER HB3 H 1 3.727 0.01 A 73 SER C C 13 176.771 0.2 A 73 SER CA C 13 60.413 0.069 A 73 SER CB C 13 61.588 0.056 A 74 GLN H H 1 6.631 0.01 A 74 GLN HA H 1 3.934 0.016 A 74 GLN HB2 H 1 2.342 0.007 A 74 GLN HB3 H 1 1.945 0.011 A 74 GLN HG2 H 1 2.414 0.003 A 74 GLN HG3 H 1 2.414 0.003 A 74 GLN C C 13 178.884 0.2 A 74 GLN CA C 13 57.752 0.08 A 74 GLN CB C 13 28.223 0.026 A 74 GLN CG C 13 33.810 0.046 A 74 GLN N N 15 121.071 0.023 A 75 LEU H H 1 6.652 0.007 A 75 LEU HA H 1 3.060 0.008 A 75 LEU HB2 H 1 1.035 0.012 A 75 LEU HB3 H 1 1.741 0.01 A 75 LEU HDx% H 1 0.956 0.004 A 75 LEU HDy% H 1 0.895 0.009 A 75 LEU HG H 1 1.501 0.006 A 75 LEU C C 13 177.083 0.2 A 75 LEU CA C 13 57.377 0.08 A 75 LEU CB C 13 40.208 0.069 A 75 LEU CDy C 13 26.039 0.019 A 75 LEU CDx C 13 22.969 0.014 A 75 LEU CG C 13 27.029 0.2 A 75 LEU N N 15 121.285 0.038 A 76 ALA H H 1 7.880 0.009 A 76 ALA HA H 1 3.863 0.013 A 76 ALA HB% H 1 1.247 0.014 A 76 ALA C C 13 180.212 0.2 A 76 ALA CA C 13 55.208 0.055 A 76 ALA CB C 13 17.548 0.033 A 76 ALA N N 15 120.443 0.028 A 77 ASN H H 1 7.443 0.005 A 77 ASN HA H 1 4.234 0.014 A 77 ASN HB2 H 1 2.644 0.015 A 77 ASN HB3 H 1 2.644 0.015 A 77 ASN HD21 H 1 6.870 0.005 A 77 ASN HD22 H 1 7.546 0.002 A 77 ASN C C 13 176.329 0.2 A 77 ASN CA C 13 56.003 0.05 A 77 ASN CB C 13 38.701 0.063 A 77 ASN N N 15 115.335 0.049 A 77 ASN ND2 N 15 112.938 0.027 A 78 HIS H H 1 7.419 0.008 A 78 HIS HA H 1 4.133 0.015 A 78 HIS HB2 H 1 2.737 0.013 A 78 HIS HB3 H 1 3.154 0.017 A 78 HIS HD2 H 1 7.003 0.006 A 78 HIS C C 13 176.836 0.2 A 78 HIS CA C 13 58.784 0.055 A 78 HIS CB C 13 28.529 0.027 A 78 HIS CD2 C 13 130.312 0.001 A 78 HIS N N 15 119.301 0.045 A 79 ILE H H 1 8.253 0.012 A 79 ILE HA H 1 3.545 0.016 A 79 ILE HB H 1 1.857 0.015 A 79 ILE HD1% H 1 0.885 0.015 A 79 ILE HG1x H 1 1.347 0.016 A 79 ILE HG1y H 1 1.662 0.013 A 79 ILE HG2% H 1 0.908 0.009 A 79 ILE C C 13 178.108 0.2 A 79 ILE CA C 13 64.829 0.063 A 79 ILE CB C 13 37.947 0.025 A 79 ILE CD1 C 13 13.609 0.03 A 79 ILE CG1 C 13 28.859 0.068 A 79 ILE CG2 C 13 17.556 0.07 A 79 ILE N N 15 116.732 0.04 A 80 ARG H H 1 7.295 0.008 A 80 ARG HA H 1 3.910 0.01 A 80 ARG HBx H 1 1.593 0.003 A 80 ARG HBy H 1 1.657 0.002 A 80 ARG HD2 H 1 3.019 0.006 A 80 ARG HD3 H 1 3.021 0.005 A 80 ARG HGx H 1 1.274 0.007 A 80 ARG HGy H 1 1.417 0.016 A 80 ARG C C 13 176.590 0.2 A 80 ARG CA C 13 58.192 0.052 A 80 ARG CB C 13 29.900 0.004 A 80 ARG CD C 13 43.232 0.0 A 80 ARG CG C 13 27.179 0.0 A 80 ARG N N 15 119.229 0.053 A 81 HIS H H 1 7.269 0.012 A 81 HIS HA H 1 4.608 0.011 A 81 HIS HBx H 1 2.717 0.02 A 81 HIS HBy H 1 3.157 0.026 A 81 HIS C C 13 174.531 0.2 A 81 HIS CA C 13 54.913 0.013 A 81 HIS CB C 13 28.647 0.046 A 81 HIS N N 15 115.839 0.04 A 82 HIS H H 1 7.325 0.021 A 82 HIS HA H 1 3.981 0.015 A 82 HIS HB2 H 1 3.120 0.044 A 82 HIS HB3 H 1 2.885 0.013 A 82 HIS HD2 H 1 6.187 0.003 A 82 HIS HE1 H 1 7.907 0.001 A 82 HIS C C 13 174.904 0.2 A 82 HIS CA C 13 58.009 0.02 A 82 HIS CB C 13 29.240 0.061 A 82 HIS CD2 C 13 129.375 0.2 A 82 HIS CE1 C 13 142.684 0.2 A 82 HIS N N 15 120.912 0.068 A 83 ASP H H 1 7.960 0.008 A 83 ASP HA H 1 4.326 0.012 A 83 ASP HBx H 1 2.512 0.003 A 83 ASP HBy H 1 2.597 0.004 A 83 ASP CA C 13 55.889 0.023 A 83 ASP CB C 13 41.649 0.019 A 83 ASP N N 15 127.886 0.034 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 3 PRO HDx A 3 PRO HA 1.0 1.8 4.4 2 2 A 29 GLU HBy A 29 GLU HA 1.0 1.8 3.7 3 3 A 23 VAL HA A 26 HIS H 1.0 1.8 4.6 4 4 A 9 CYS HBx A 26 HIS HE1 1.0 1.8 3.5 5 5 A 11 ARG HBy A 11 ARG HA 1.0 1.8 4.2 6 6 A 5 VAL H A 4 TYR HDy 1.0 1.8 5.3 7 6 A 5 VAL H A 4 TYR HDx 1.0 1.8 5.3 8 7 A 29 GLU HA A 29 GLU HGx 1.0 1.8 4.3 9 8 A 16 PRO HDy A 17 GLY H 1.0 1.8 5.8 10 9 A 15 ASP HBx A 15 ASP H 1.0 1.8 4.6 11 10 A 21 ARG H A 20 GLN HBx 1.0 1.8 4.1 12 10 A 20 GLN HBy A 21 ARG H 1.0 1.8 4.1 13 11 A 25 ILE HG2% A 25 ILE HG12 1.0 1.8 2.9 14 11 A 25 ILE HG13 A 25 ILE HG2% 1.0 1.8 2.9 15 12 A 15 ASP H A 15 ASP HBy 1.0 1.8 4.8 16 13 A 3 PRO HA A 3 PRO HBy 1.0 1.8 3.8 17 14 A 20 GLN HBx A 20 GLN H 1.0 1.8 3.8 18 14 A 20 GLN HBy A 20 GLN H 1.0 1.8 3.8 19 15 A 11 ARG HBy A 11 ARG HBx 1.0 1.8 2.9 20 16 A 17 GLY H A 17 GLY HA2 1.0 1.8 3.5 21 16 A 17 GLY H A 17 GLY HA3 1.0 1.8 3.5 22 17 A 8 HIS HA A 8 HIS HB2 1.0 1.8 4.7 23 18 A 22 HIS H A 23 VAL H 1.0 1.8 3.7 24 19 A 10 GLN HBx A 10 GLN HG2 1.0 1.8 2.6 25 19 A 10 GLN HBx A 10 GLN HG3 1.0 1.8 2.6 26 20 A 5 VAL H A 5 VAL HGx% 1.0 1.8 3.5 27 21 A 30 LYS H A 29 GLU HGy 1.0 1.8 4.7 28 22 A 3 PRO HDx A 3 PRO HBy 1.0 1.8 4.6 29 23 A 4 TYR H A 4 TYR HA 1.0 1.8 3.8 30 24 A 8 HIS H A 8 HIS HB3 1.0 1.8 4.1 31 25 A 22 HIS H A 20 GLN HA 1.0 1.8 3.6 32 26 A 23 VAL H A 22 HIS HB2 1.0 1.8 4.1 33 27 A 19 LEU HB2 A 16 PRO HA 1.0 1.8 4.8 34 28 A 11 ARG HBx A 11 ARG H 1.0 1.8 3.6 35 29 A 23 VAL HA A 26 HIS HBx 1.0 1.8 4.8 36 30 A 12 GLN HBy A 13 PHE H 1.0 1.8 4.8 37 31 A 19 LEU H A 19 LEU HA 1.0 1.8 3.7 38 32 A 20 GLN HA A 19 LEU H 1.0 1.8 4.6 39 33 A 7 ILE H A 7 ILE HD1% 1.0 1.8 3.5 40 34 A 7 ILE H A 6 CYS HA 1.0 1.8 3.5 41 35 A 21 ARG HDy A 21 ARG HG2 1.0 1.8 4.0 42 35 A 21 ARG HG3 A 21 ARG HDy 1.0 1.8 4.0 43 36 A 8 HIS H A 7 ILE HA 1.0 1.8 4.7 44 37 A 20 GLN H A 19 LEU H 1.0 1.8 4.2 45 38 A 19 LEU H A 18 ALA HB% 1.0 1.8 3.5 46 39 A 29 GLU H A 27 THR HA 1.0 1.8 4.2 47 40 A 4 TYR H A 3 PRO HGy 1.0 1.8 4.3 48 41 A 22 HIS H A 22 HIS HB3 1.0 1.8 3.2 49 42 A 6 CYS HB3 A 10 GLN H 1.0 1.8 3.8 50 43 A 11 ARG HBx A 6 CYS HB3 1.0 1.8 5.5 51 44 A 9 CYS HBx A 9 CYS HA 1.0 1.8 4.0 52 45 A 3 PRO HA A 4 TYR H 1.0 1.8 3.6 53 46 A 9 CYS HBx A 9 CYS HBy 1.0 1.8 2.8 54 47 A 22 HIS H A 23 VAL H 1.0 1.8 4.6 55 48 A 27 THR HB A 27 THR H 1.0 1.8 4.8 56 49 A 24 ARG H A 24 ARG HGy 1.0 1.8 3.2 57 50 A 25 ILE HG2% A 22 HIS HA 1.0 1.8 4.3 58 51 A 22 HIS H A 21 ARG HBx 1.0 1.8 3.4 59 52 A 25 ILE HG12 A 25 ILE H 1.0 1.8 4.3 60 52 A 25 ILE HG13 A 25 ILE H 1.0 1.8 4.3 61 53 A 17 GLY HA2 A 20 GLN HGy 1.0 1.8 4.7 62 53 A 17 GLY HA3 A 20 GLN HGy 1.0 1.8 4.7 63 54 A 26 HIS HBx A 27 THR H 1.0 1.8 5.5 64 55 A 11 ARG HBy A 6 CYS HB2 1.0 1.8 4.6 65 56 A 12 GLN HGx A 12 GLN HE21 1.0 1.8 4.9 66 57 A 20 GLN HA A 20 GLN HGx 1.0 1.8 4.3 67 58 A 7 ILE H A 7 ILE HA 1.0 1.8 4.0 68 59 A 17 GLY HA2 A 18 ALA H 1.0 1.8 3.7 69 59 A 17 GLY HA3 A 18 ALA H 1.0 1.8 3.7 70 60 A 9 CYS HBx A 26 HIS HE1 1.0 1.8 3.7 71 61 A 24 ARG H A 24 ARG HA 1.0 1.8 4.0 72 62 A 8 HIS HB2 A 8 HIS H 1.0 1.8 3.8 73 63 A 21 ARG H A 21 ARG HG2 1.0 1.8 4.1 74 63 A 21 ARG H A 21 ARG HG3 1.0 1.8 4.1 75 64 A 25 ILE HG2% A 25 ILE H 1.0 1.8 3.7 76 65 A 9 CYS HA A 9 CYS H 1.0 1.8 4.0 77 66 A 15 ASP H A 14 ALA HB% 1.0 1.8 4.2 78 67 A 3 PRO HA A 3 PRO HGy 1.0 1.8 4.9 79 68 A 5 VAL H A 5 VAL HB 1.0 1.8 3.6 80 69 A 18 ALA HB% A 13 PHE HDy 1.0 1.8 4.0 81 69 A 18 ALA HB% A 13 PHE HDx 1.0 1.8 4.0 82 70 A 25 ILE HA A 25 ILE HB 1.0 1.8 3.2 83 71 A 4 TYR H A 4 TYR HBy 1.0 1.8 3.6 84 72 A 3 PRO HDx A 3 PRO HGx 1.0 1.8 3.8 85 73 A 11 ARG HBy A 11 ARG HG2 1.0 1.8 4.0 86 73 A 11 ARG HBy A 11 ARG HG3 1.0 1.8 4.0 87 74 A 10 GLN HBx A 10 GLN H 1.0 1.8 4.9 88 75 A 13 PHE HDy A 13 PHE HB2 1.0 1.8 4.1 89 75 A 13 PHE HDx A 13 PHE HB2 1.0 1.8 4.1 90 76 A 25 ILE HG2% A 25 ILE HA 1.0 1.8 3.2 91 77 A 24 ARG H A 24 ARG HGx 1.0 1.8 3.2 92 78 A 26 HIS HD2 A 22 HIS HD2 1.0 1.8 4.2 93 79 A 13 PHE H A 12 GLN H 1.0 1.8 4.9 94 80 A 11 ARG H A 6 CYS HB3 1.0 1.8 3.8 95 81 A 15 ASP HBy A 18 ALA HB% 1.0 1.8 4.4 96 82 A 12 GLN HGy A 12 GLN HBx 1.0 1.8 3.2 97 83 A 3 PRO HBy A 3 PRO HGy 1.0 1.8 4.0 98 84 A 25 ILE HG2% A 25 ILE HB 1.0 1.8 3.1 99 85 A 13 PHE H A 12 GLN HBx 1.0 1.8 4.9 100 86 A 20 GLN HBy A 17 GLY HA2 1.0 1.8 3.8 101 86 A 20 GLN HBy A 17 GLY HA3 1.0 1.8 3.8 102 87 A 22 HIS H A 22 HIS HB3 1.0 1.8 3.5 103 88 A 22 HIS H A 21 ARG HA 1.0 1.8 3.8 104 89 A 8 HIS HA A 9 CYS H 1.0 1.8 5.0 105 90 A 8 HIS HA A 8 HIS H 1.0 1.8 4.0 106 91 A 18 ALA HB% A 13 PHE HB3 1.0 1.8 3.8 107 92 A 26 HIS H A 25 ILE HA 1.0 1.8 4.2 108 93 A 16 PRO HDy A 15 ASP HBy 1.0 1.8 4.1 109 94 A 14 ALA HB% A 14 ALA HA 1.0 1.8 4.1 110 95 A 19 LEU HB2 A 19 LEU H 1.0 1.8 3.6 111 96 A 6 CYS H A 5 VAL HGy% 1.0 1.8 3.6 112 96 A 5 VAL HGx% A 6 CYS H 1.0 1.8 3.6 113 97 A 10 GLN H A 6 CYS HB2 1.0 1.8 4.3 114 98 A 5 VAL HB A 6 CYS H 1.0 1.8 4.6 115 99 A 5 VAL HGx% A 13 PHE H 1.0 1.8 4.8 116 100 A 17 GLY HA2 A 19 LEU H 1.0 1.8 4.6 117 100 A 17 GLY HA3 A 19 LEU H 1.0 1.8 4.6 118 101 A 10 GLN HE22 A 10 GLN HE21 1.0 1.8 2.8 119 102 A 6 CYS HB2 A 6 CYS H 1.0 1.8 3.7 120 103 A 22 HIS H A 22 HIS HA 1.0 1.8 3.6 121 104 A 29 GLU H A 28 GLY HAy 1.0 1.8 4.0 122 105 A 7 ILE H A 7 ILE HA 1.0 1.8 4.2 123 106 A 23 VAL HA A 22 HIS HD2 1.0 1.8 4.2 124 107 A 13 PHE H A 12 GLN HA 1.0 1.8 3.2 125 108 A 8 HIS H A 7 ILE HG2% 1.0 1.8 4.2 126 109 A 22 HIS HB3 A 22 HIS HA 1.0 1.8 3.7 127 110 A 22 HIS HB2 A 22 HIS HB3 1.0 1.8 2.6 128 111 A 8 HIS HB2 A 8 HIS H 1.0 1.8 4.3 129 112 A 5 VAL H A 4 TYR HBy 1.0 1.8 4.3 130 113 A 10 GLN HG2 A 7 ILE HA 1.0 1.8 4.6 131 113 A 10 GLN HG3 A 7 ILE HA 1.0 1.8 4.6 132 114 A 3 PRO HBy A 4 TYR H 1.0 1.8 4.1 133 115 A 19 LEU HA A 19 LEU HB3 1.0 1.8 4.2 134 116 A 21 ARG H A 21 ARG HA 1.0 1.8 3.4 135 117 A 25 ILE HA A 25 ILE HD1% 1.0 1.8 4.3 136 118 A 20 GLN HBy A 21 ARG H 1.0 1.8 3.6 137 119 A 21 ARG H A 20 GLN HBx 1.0 1.8 4.3 138 119 A 20 GLN HBy A 21 ARG H 1.0 1.8 4.3 139 120 A 5 VAL HGx% A 12 GLN HBx 1.0 1.8 4.7 140 121 A 24 ARG H A 25 ILE HA 1.0 1.8 5.5 141 122 A 21 ARG H A 20 GLN H 1.0 1.8 3.7 142 123 A 3 PRO HA A 3 PRO HBx 1.0 1.8 3.6 143 124 A 11 ARG HA A 12 GLN H 1.0 1.8 3.0 144 125 A 4 TYR HDy A 4 TYR HBx 1.0 1.8 3.7 145 125 A 4 TYR HDx A 4 TYR HBx 1.0 1.8 3.7 146 126 A 13 PHE H A 4 TYR HBx 1.0 1.8 4.2 147 127 A 9 CYS HBx A 9 CYS H 1.0 1.8 3.5 148 128 A 13 PHE H A 13 PHE HB3 1.0 1.8 4.3 149 129 A 10 GLN HBx A 10 GLN HBy 1.0 1.8 2.8 150 130 A 10 GLN HG2 A 10 GLN H 1.0 1.8 4.4 151 130 A 10 GLN HG3 A 10 GLN H 1.0 1.8 4.4 152 131 A 20 GLN HBy A 20 GLN H 1.0 1.8 3.5 153 132 A 6 CYS HB3 A 6 CYS HB2 1.0 1.8 2.9 154 133 A 19 LEU H A 19 LEU HB3 1.0 1.8 3.4 155 134 A 26 HIS H A 27 THR H 1.0 1.8 4.4 156 135 A 6 CYS HB3 A 6 CYS H 1.0 1.8 3.5 157 136 A 19 LEU HB2 A 19 LEU HB3 1.0 1.8 3.1 158 137 A 5 VAL HGx% A 12 GLN HBy 1.0 1.8 4.9 159 138 A 20 GLN HBy A 19 LEU H 1.0 1.8 4.9 160 139 A 23 VAL H A 22 HIS HB3 1.0 1.8 4.3 161 140 A 6 CYS HB3 A 9 CYS H 1.0 1.8 3.5 162 141 A 15 ASP H A 18 ALA HB% 1.0 1.8 4.1 163 142 A 9 CYS HA A 9 CYS HBy 1.0 1.8 3.6 164 143 A 15 ASP HBx A 14 ALA HB% 1.0 1.8 3.8 165 144 A 22 HIS H A 23 VAL HG1% 1.0 1.8 4.1 166 145 A 7 ILE H A 7 ILE HG12 1.0 1.8 4.0 167 145 A 7 ILE H A 7 ILE HG13 1.0 1.8 4.0 168 146 A 23 VAL HA A 23 VAL HB 1.0 1.8 3.7 169 147 A 15 ASP HBy A 16 PRO HDx 1.0 1.8 3.7 170 148 A 24 ARG HGy A 24 ARG HD2 1.0 1.8 3.7 171 149 A 3 PRO HBy A 4 TYR H 1.0 1.8 4.8 172 150 A 10 GLN HBy A 10 GLN HA 1.0 1.8 4.2 173 151 A 21 ARG H A 17 GLY HA2 1.0 1.8 4.1 174 151 A 21 ARG H A 17 GLY HA3 1.0 1.8 4.1 175 152 A 13 PHE H A 13 PHE HB2 1.0 1.8 4.7 176 153 A 8 HIS HA A 8 HIS HB3 1.0 1.8 3.8 177 154 A 3 PRO HBy A 3 PRO HDy 1.0 1.8 4.2 178 155 A 19 LEU HB2 A 19 LEU HB3 1.0 1.8 3.2 179 156 A 7 ILE H A 7 ILE HD1% 1.0 1.8 4.7 180 157 A 4 TYR HDy A 4 TYR HBy 1.0 1.8 3.6 181 157 A 4 TYR HDx A 4 TYR HBy 1.0 1.8 3.6 182 158 A 8 HIS HB2 A 26 HIS HD2 1.0 1.8 4.6 183 159 A 3 PRO HA A 3 PRO HGx 1.0 1.8 4.8 184 160 A 23 VAL HA A 23 VAL H 1.0 1.8 4.1 185 161 A 3 PRO HA A 13 PHE H 1.0 1.8 6.0 186 162 A 7 ILE H A 6 CYS HA 1.0 1.8 4.9 187 163 A 3 PRO HA A 3 PRO HDy 1.0 1.8 4.4 188 164 A 20 GLN H A 20 GLN HA 1.0 1.8 4.0 189 165 A 20 GLN HBx A 20 GLN HA 1.0 1.8 3.7 190 165 A 20 GLN HBy A 20 GLN HA 1.0 1.8 3.7 191 166 A 21 ARG H A 22 HIS H 1.0 1.8 3.6 192 167 A 23 VAL HA A 25 ILE H 1.0 1.8 4.8 193 168 A 24 ARG HGy A 24 ARG HA 1.0 1.8 4.3 194 169 A 18 ALA HB% A 13 PHE HB2 1.0 1.8 3.8 195 170 A 22 HIS HB2 A 22 HIS HA 1.0 1.8 3.8 196 171 A 20 GLN HBx A 20 GLN HA 1.0 1.8 4.0 197 171 A 20 GLN HBy A 20 GLN HA 1.0 1.8 4.0 198 172 A 26 HIS HBx A 27 THR HG2% 1.0 1.8 5.3 199 173 A 10 GLN HG2 A 10 GLN HA 1.0 1.8 3.4 200 173 A 10 GLN HG3 A 10 GLN HA 1.0 1.8 3.4 201 174 A 12 GLN H A 12 GLN HA 1.0 1.8 4.2 202 175 A 14 ALA HB% A 14 ALA H 1.0 1.8 4.6 203 176 A 20 GLN HBx A 20 GLN H 1.0 1.8 3.7 204 176 A 20 GLN HBy A 20 GLN H 1.0 1.8 3.7 205 177 A 5 VAL HGx% A 12 GLN HA 1.0 1.8 5.4 206 178 A 9 CYS HA A 9 CYS H 1.0 1.8 4.3 207 179 A 28 GLY HAy A 28 GLY H 1.0 1.8 4.3 208 179 A 28 GLY H A 28 GLY HAx 1.0 1.8 4.3 209 180 A 8 HIS HA A 8 HIS HB2 1.0 1.8 4.7 210 181 A 13 PHE H A 4 TYR HBx 1.0 1.8 4.9 211 182 A 25 ILE HG2% A 25 ILE H 1.0 1.8 3.6 212 183 A 12 GLN HGx A 12 GLN HE22 1.0 1.8 5.0 213 184 A 6 CYS HB3 A 22 HIS HD2 1.0 1.8 4.6 214 185 A 6 CYS H A 5 VAL HA 1.0 1.8 3.2 215 186 A 3 PRO HBy A 3 PRO HBx 1.0 1.8 3.0 216 187 A 12 GLN HGy A 12 GLN HE22 1.0 1.8 3.8 217 188 A 13 PHE H A 5 VAL HB 1.0 1.8 4.8 218 189 A 26 HIS H A 26 HIS HD2 1.0 1.8 4.4 219 190 A 13 PHE H A 4 TYR HBy 1.0 1.8 5.0 220 191 A 29 GLU HA A 29 GLU H 1.0 1.8 3.6 221 192 A 6 CYS HA A 19 LEU HDy% 1.0 1.8 4.4 222 193 A 11 ARG HBx A 11 ARG H 1.0 1.8 3.8 223 194 A 23 VAL H A 23 VAL HB 1.0 1.8 4.1 224 195 A 6 CYS HB2 A 22 HIS HD2 1.0 1.8 3.7 225 196 A 20 GLN HBx A 17 GLY HA2 1.0 1.8 4.1 226 196 A 20 GLN HBx A 17 GLY HA3 1.0 1.8 4.1 227 196 A 20 GLN HBy A 17 GLY HA2 1.0 1.8 4.1 228 196 A 20 GLN HBy A 17 GLY HA3 1.0 1.8 4.1 229 197 A 27 THR HB A 27 THR HG2% 1.0 1.8 3.0 230 198 A 4 TYR H A 4 TYR HBy 1.0 1.8 4.2 231 199 A 4 TYR HDy A 4 TYR HBx 1.0 1.8 3.2 232 199 A 4 TYR HDx A 4 TYR HBx 1.0 1.8 3.2 233 200 A 15 ASP HBx A 17 GLY HA2 1.0 1.8 4.1 234 200 A 15 ASP HBx A 17 GLY HA3 1.0 1.8 4.1 235 201 A 13 PHE H A 13 PHE HDy 1.0 1.8 4.0 236 201 A 13 PHE H A 13 PHE HDx 1.0 1.8 4.0 237 202 A 29 GLU HGx A 27 THR HG2% 1.0 1.8 4.9 238 203 A 19 LEU H A 13 PHE HB2 1.0 1.8 4.6 239 204 A 29 GLU HGx A 29 GLU H 1.0 1.8 4.7 240 205 A 25 ILE HG12 A 25 ILE HD1% 1.0 1.8 2.9 241 205 A 25 ILE HG13 A 25 ILE HD1% 1.0 1.8 2.9 242 206 A 9 CYS HBx A 9 CYS H 1.0 1.8 4.3 243 207 A 19 LEU H A 4 TYR HBx 1.0 1.8 4.6 244 208 A 19 LEU H A 20 GLN HGy 1.0 1.8 4.9 245 209 A 11 ARG HBy A 11 ARG H 1.0 1.8 3.8 246 210 A 29 GLU HBy A 27 THR HG2% 1.0 1.8 4.9 247 211 A 7 ILE HA A 7 ILE HG2% 1.0 1.8 3.1 248 212 A 21 ARG HG2 A 21 ARG HA 1.0 1.8 4.0 249 212 A 21 ARG HG3 A 21 ARG HA 1.0 1.8 4.0 250 213 A 23 VAL HA A 26 HIS HBy 1.0 1.8 5.8 251 214 A 26 HIS HD2 A 23 VAL HG1% 1.0 1.8 3.8 252 215 A 29 GLU HA A 30 LYS H 1.0 1.8 3.5 253 216 A 19 LEU H A 19 LEU HA 1.0 1.8 4.2 254 217 A 3 PRO HA A 5 VAL H 1.0 1.8 6.0 255 218 A 22 HIS H A 22 HIS HD2 1.0 1.8 5.3 256 219 A 7 ILE HD1% A 9 CYS H 1.0 1.8 5.4 257 220 A 17 GLY H A 15 ASP HBy 1.0 1.8 5.5 258 221 A 12 GLN HGy A 12 GLN HA 1.0 1.8 5.5 259 222 A 15 ASP H A 13 PHE HB2 1.0 1.8 4.8 260 223 A 19 LEU HB3 A 4 TYR HBx 1.0 1.8 4.6 261 224 A 30 LYS H A 29 GLU HBx 1.0 1.8 4.4 262 225 A 26 HIS H A 25 ILE HB 1.0 1.8 4.8 263 226 A 25 ILE H A 25 ILE HD1% 1.0 1.8 4.2 264 227 A 29 GLU HBy A 30 LYS H 1.0 1.8 4.4 265 228 A 23 VAL HA A 26 HIS HBx 1.0 1.8 5.4 266 229 A 27 THR H A 27 THR HG2% 1.0 1.8 4.9 267 230 A 3 PRO HA A 13 PHE H 1.0 1.8 5.5 268 231 A 10 GLN H A 10 GLN HA 1.0 1.8 3.1 269 232 A 29 GLU H A 28 GLY HAx 1.0 1.8 4.1 270 233 A 6 CYS HB3 A 10 GLN H 1.0 1.8 4.0 271 234 A 4 TYR H A 3 PRO HGx 1.0 1.8 4.8 272 235 A 6 CYS HB2 A 9 CYS H 1.0 1.8 4.3 273 236 A 5 VAL H A 4 TYR HBy 1.0 1.8 4.9 274 237 A 10 GLN HG2 A 10 GLN HE21 1.0 1.8 4.3 275 237 A 10 GLN HG3 A 10 GLN HE21 1.0 1.8 4.3 276 238 A 30 LYS H A 29 GLU H 1.0 1.8 3.8 277 239 A 8 HIS H A 6 CYS HB2 1.0 1.8 4.4 278 240 A 15 ASP H A 15 ASP HBy 1.0 1.8 3.8 279 241 A 11 ARG HBx A 11 ARG HG2 1.0 1.8 4.0 280 241 A 11 ARG HBx A 11 ARG HG3 1.0 1.8 4.0 281 242 A 12 GLN HBy A 13 PHE H 1.0 1.8 4.1 282 243 A 18 ALA HB% A 18 ALA HA 1.0 1.8 3.2 283 244 A 8 HIS HA A 8 HIS HB3 1.0 1.8 4.8 284 245 A 7 ILE HA A 7 ILE HB 1.0 1.8 3.4 285 246 A 3 PRO HDx A 3 PRO HBx 1.0 1.8 4.2 286 247 A 23 VAL H A 24 ARG H 1.0 1.8 4.3 287 248 A 29 GLU HGy A 29 GLU H 1.0 1.8 3.8 288 249 A 8 HIS HB2 A 9 CYS H 1.0 1.8 4.2 289 250 A 25 ILE HG2% A 22 HIS HA 1.0 1.8 4.9 290 251 A 9 CYS HBx A 9 CYS HA 1.0 1.8 3.5 291 252 A 20 GLN H A 19 LEU HA 1.0 1.8 4.7 292 253 A 25 ILE H A 25 ILE HB 1.0 1.8 4.0 293 254 A 23 VAL HA A 26 HIS H 1.0 1.8 4.8 294 255 A 26 HIS HE1 A 25 ILE HG2% 1.0 1.8 4.7 295 256 A 20 GLN HBx A 17 GLY HA2 1.0 1.8 3.8 296 256 A 20 GLN HBx A 17 GLY HA3 1.0 1.8 3.8 297 256 A 20 GLN HBy A 17 GLY HA2 1.0 1.8 3.8 298 256 A 20 GLN HBy A 17 GLY HA3 1.0 1.8 3.8 299 257 A 25 ILE H A 25 ILE HA 1.0 1.8 3.8 300 258 A 13 PHE HDy A 13 PHE HB3 1.0 1.8 3.8 301 258 A 13 PHE HDx A 13 PHE HB3 1.0 1.8 3.8 302 259 A 10 GLN HE22 A 10 GLN HE21 1.0 1.8 2.8 303 260 A 29 GLU H A 29 GLU HBx 1.0 1.8 3.4 304 261 A 6 CYS HB2 A 6 CYS H 1.0 1.8 3.6 305 262 A 12 GLN HGx A 12 GLN H 1.0 1.8 4.7 306 263 A 15 ASP H A 14 ALA HA 1.0 1.8 4.1 307 264 A 3 PRO HBy A 3 PRO HGx 1.0 1.8 3.7 308 265 A 8 HIS HB3 A 26 HIS HBy 1.0 1.8 5.0 309 266 A 7 ILE HA A 9 CYS H 1.0 1.8 5.3 310 267 A 25 ILE HG12 A 25 ILE HB 1.0 1.8 3.8 311 267 A 25 ILE HG13 A 25 ILE HB 1.0 1.8 3.8 312 268 A 23 VAL HA A 22 HIS HB2 1.0 1.8 4.9 313 269 A 7 ILE HG2% A 7 ILE HB 1.0 1.8 3.2 314 270 A 25 ILE H A 25 ILE HA 1.0 1.8 4.1 315 271 A 15 ASP HBx A 18 ALA H 1.0 1.8 5.0 316 272 A 17 GLY H A 17 GLY HA2 1.0 1.8 3.0 317 272 A 17 GLY H A 17 GLY HA3 1.0 1.8 3.0 318 273 A 5 VAL H A 4 TYR HA 1.0 1.8 3.1 319 274 A 21 ARG H A 21 ARG HDx 1.0 1.8 4.8 320 275 A 15 ASP H A 4 TYR HBx 1.0 1.8 4.1 321 276 A 13 PHE H A 12 GLN HGx 1.0 1.8 5.3 322 277 A 23 VAL HA A 22 HIS HD2 1.0 1.8 3.8 323 278 A 7 ILE H A 7 ILE HG2% 1.0 1.8 3.5 324 279 A 26 HIS HD2 A 23 VAL HG2% 1.0 1.8 3.8 325 280 A 20 GLN H A 17 GLY HA2 1.0 1.8 4.6 326 280 A 20 GLN H A 17 GLY HA3 1.0 1.8 4.6 327 281 A 29 GLU HA A 29 GLU HGy 1.0 1.8 4.2 328 282 A 24 ARG H A 25 ILE H 1.0 1.8 4.2 329 283 A 5 VAL H A 5 VAL HGy% 1.0 1.8 3.5 330 284 A 18 ALA HB% A 18 ALA H 1.0 1.8 3.5 331 285 A 21 ARG H A 20 GLN H 1.0 1.8 3.5 332 286 A 21 ARG HG2 A 21 ARG HDx 1.0 1.8 4.0 333 286 A 21 ARG HG3 A 21 ARG HDx 1.0 1.8 4.0 334 287 A 29 GLU H A 29 GLU HBx 1.0 1.8 4.0 335 288 A 10 GLN HBx A 10 GLN HBy 1.0 1.8 2.8 336 289 A 15 ASP H A 13 PHE HB3 1.0 1.8 4.4 337 290 A 7 ILE HG12 A 7 ILE HB 1.0 1.8 3.6 338 290 A 7 ILE HG13 A 7 ILE HB 1.0 1.8 3.6 339 291 A 15 ASP HBx A 18 ALA H 1.0 1.8 4.9 340 292 A 8 HIS HB2 A 8 HIS HB3 1.0 1.8 3.2 341 293 A 22 HIS H A 21 ARG HBy 1.0 1.8 3.2 342 294 A 13 PHE HB2 A 13 PHE HB3 1.0 1.8 4.0 343 295 A 13 PHE H A 12 GLN HBx 1.0 1.8 4.2 344 296 A 4 TYR H A 3 PRO HGy 1.0 1.8 5.3 345 297 A 12 GLN H A 12 GLN HA 1.0 1.8 5.9 346 298 A 25 ILE HG2% A 25 ILE HA 1.0 1.8 3.7 347 299 A 11 ARG HA A 11 ARG HBx 1.0 1.8 4.3 348 300 A 20 GLN H A 20 GLN HGx 1.0 1.8 4.4 349 301 A 11 ARG HBy A 11 ARG HDy 1.0 1.8 4.7 350 302 A 6 CYS HB2 A 13 PHE HDy 1.0 1.8 4.3 351 302 A 6 CYS HB2 A 13 PHE HDx 1.0 1.8 4.3 352 303 A 13 PHE H A 13 PHE HB2 1.0 1.8 3.8 353 304 A 7 ILE HG12 A 7 ILE HB 1.0 1.8 4.2 354 304 A 7 ILE HG13 A 7 ILE HB 1.0 1.8 4.2 355 305 A 11 ARG HA A 12 GLN H 1.0 1.8 2.9 356 306 A 25 ILE HG2% A 26 HIS HBx 1.0 1.8 5.5 357 307 A 25 ILE HG2% A 25 ILE HB 1.0 1.8 3.2 358 308 A 18 ALA H A 18 ALA HA 1.0 1.8 3.7 359 309 A 7 ILE HG2% A 7 ILE HB 1.0 1.8 3.1 360 310 A 22 HIS H A 22 HIS HA 1.0 1.8 3.5 361 311 A 12 GLN H A 12 GLN HGy 1.0 1.8 3.7 362 312 A 26 HIS HBx A 26 HIS HD2 1.0 1.8 4.2 363 313 A 21 ARG HG2 A 21 ARG HBy 1.0 1.8 3.0 364 313 A 21 ARG HG3 A 21 ARG HBy 1.0 1.8 3.0 365 314 A 26 HIS H A 25 ILE HG12 1.0 1.8 4.8 366 314 A 26 HIS H A 25 ILE HG13 1.0 1.8 4.8 367 315 A 21 ARG HG2 A 21 ARG HBx 1.0 1.8 2.9 368 315 A 21 ARG HG3 A 21 ARG HBx 1.0 1.8 2.9 369 316 A 21 ARG HDy A 21 ARG HA 1.0 1.8 4.6 370 317 A 12 GLN H A 12 GLN HBx 1.0 1.8 3.5 371 318 A 23 VAL H A 24 ARG H 1.0 1.8 4.2 372 319 A 10 GLN HG2 A 10 GLN HA 1.0 1.8 3.8 373 319 A 10 GLN HG3 A 10 GLN HA 1.0 1.8 3.8 374 320 A 6 CYS HB3 A 6 CYS H 1.0 1.8 3.5 375 321 A 12 GLN HBy A 12 GLN H 1.0 1.8 3.5 376 322 A 17 GLY H A 18 ALA H 1.0 1.8 3.8 377 323 A 14 ALA HB% A 14 ALA HA 1.0 1.8 4.6 378 324 A 7 ILE HG2% A 7 ILE HG12 1.0 1.8 2.9 379 324 A 7 ILE HG2% A 7 ILE HG13 1.0 1.8 2.9 380 325 A 6 CYS HB3 A 9 CYS H 1.0 1.8 4.2 381 326 A 29 GLU H A 28 GLY HAy 1.0 1.8 3.2 382 326 A 29 GLU H A 28 GLY HAx 1.0 1.8 3.2 383 327 A 21 ARG H A 20 GLN HGy 1.0 1.8 4.3 384 328 A 15 ASP H A 15 ASP HA 1.0 1.8 3.7 385 329 A 27 THR HG2% A 29 GLU HBx 1.0 1.8 5.3 386 330 A 30 LYS H A 29 GLU H 1.0 1.8 3.6 387 331 A 21 ARG H A 21 ARG HA 1.0 1.8 3.4 388 332 A 17 GLY HA2 A 18 ALA H 1.0 1.8 3.8 389 332 A 17 GLY HA3 A 18 ALA H 1.0 1.8 3.8 390 333 A 6 CYS HA A 6 CYS HB3 1.0 1.8 5.3 391 334 A 16 PRO HDy A 16 PRO HDx 1.0 1.8 3.5 392 335 A 21 ARG H A 22 HIS H 1.0 1.8 3.6 393 336 A 12 GLN HGx A 12 GLN HE21 1.0 1.8 4.6 394 337 A 27 THR HA A 28 GLY H 1.0 1.8 4.6 395 338 A 5 VAL HGx% A 4 TYR H 1.0 1.8 5.2 396 339 A 7 ILE H A 7 ILE HB 1.0 1.8 4.1 397 340 A 8 HIS H A 7 ILE H 1.0 1.8 3.6 398 341 A 22 HIS H A 19 LEU HA 1.0 1.8 4.7 399 342 A 24 ARG H A 23 VAL HB 1.0 1.8 4.4 400 343 A 25 ILE H A 24 ARG HA 1.0 1.8 4.6 401 344 A 25 ILE HG12 A 25 ILE HA 1.0 1.8 4.6 402 344 A 25 ILE HG13 A 25 ILE HA 1.0 1.8 4.6 403 345 A 12 GLN HBy A 12 GLN H 1.0 1.8 4.2 404 346 A 10 GLN H A 9 CYS HA 1.0 1.8 4.3 405 347 A 20 GLN HA A 23 VAL HB 1.0 1.8 4.8 406 348 A 7 ILE HA A 7 ILE HG12 1.0 1.8 4.9 407 348 A 7 ILE HA A 7 ILE HG13 1.0 1.8 4.9 408 349 A 22 HIS H A 19 LEU HA 1.0 1.8 3.5 409 350 A 16 PRO HA A 19 LEU HB3 1.0 1.8 4.6 410 351 A 7 ILE HD1% A 7 ILE HG12 1.0 1.8 3.2 411 351 A 7 ILE HD1% A 7 ILE HG13 1.0 1.8 3.2 412 352 A 13 PHE H A 12 GLN HGx 1.0 1.8 4.9 413 353 A 8 HIS H A 8 HIS HB3 1.0 1.8 4.4 414 354 A 4 TYR HBy A 4 TYR HBx 1.0 1.8 2.9 415 355 A 24 ARG H A 25 ILE H 1.0 1.8 4.1 416 356 A 29 GLU HGy A 29 GLU H 1.0 1.8 4.4 417 357 A 19 LEU H A 19 LEU HB3 1.0 1.8 4.0 418 358 A 15 ASP HBx A 15 ASP H 1.0 1.8 3.6 419 359 A 13 PHE H A 13 PHE HDy 1.0 1.8 4.2 420 359 A 13 PHE H A 13 PHE HDx 1.0 1.8 4.2 421 360 A 11 ARG HBy A 6 CYS HB3 1.0 1.8 5.3 422 361 A 22 HIS HB2 A 22 HIS HB3 1.0 1.8 2.6 423 362 A 11 ARG HBy A 11 ARG HBx 1.0 1.8 2.8 424 363 A 19 LEU H A 19 LEU HDy% 1.0 1.8 4.0 425 364 A 3 PRO HA A 4 TYR H 1.0 1.8 4.0 426 365 A 25 ILE HA A 25 ILE HB 1.0 1.8 3.6 427 366 A 11 ARG H A 10 GLN HBy 1.0 1.8 5.6 428 367 A 5 VAL HGy% A 12 GLN HE22 1.0 1.8 4.9 429 367 A 5 VAL HGx% A 12 GLN HE22 1.0 1.8 4.9 430 368 A 21 ARG H A 19 LEU HA 1.0 1.8 4.3 431 369 A 8 HIS H A 26 HIS HD2 1.0 1.8 5.6 432 370 A 19 LEU H A 18 ALA HA 1.0 1.8 4.2 433 371 A 4 TYR HDy A 4 TYR H 1.0 1.8 4.1 434 371 A 4 TYR HDx A 4 TYR H 1.0 1.8 4.1 435 372 A 27 THR H A 26 HIS HBy 1.0 1.8 5.5 436 373 A 26 HIS H A 26 HIS HBx 1.0 1.8 4.4 437 374 A 11 ARG HBx A 6 CYS HB2 1.0 1.8 4.6 438 375 A 24 ARG HGx A 24 ARG HD2 1.0 1.8 3.6 439 376 A 7 ILE HG2% A 7 ILE HG12 1.0 1.8 3.2 440 376 A 7 ILE HG2% A 7 ILE HG13 1.0 1.8 3.2 441 377 A 6 CYS H A 19 LEU HDy% 1.0 1.8 4.2 442 378 A 23 VAL HA A 26 HIS HD2 1.0 1.8 3.4 443 379 A 5 VAL H A 4 TYR H 1.0 1.8 4.8 444 380 A 9 CYS HBx A 10 GLN H 1.0 1.8 4.3 445 381 A 12 GLN HE21 A 12 GLN HGy 1.0 1.8 3.8 446 382 A 24 ARG HA A 24 ARG HGx 1.0 1.8 4.0 447 383 A 6 CYS HB2 A 22 HIS HD2 1.0 1.8 4.0 448 384 A 15 ASP HBy A 14 ALA HB% 1.0 1.8 4.4 449 385 A 22 HIS HB3 A 22 HIS HA 1.0 1.8 4.3 450 386 A 7 ILE HA A 7 ILE HG12 1.0 1.8 3.8 451 386 A 7 ILE HA A 7 ILE HG13 1.0 1.8 3.8 452 387 A 16 PRO HDy A 16 PRO HDx 1.0 1.8 3.2 453 388 A 8 HIS H A 7 ILE HD1% 1.0 1.8 4.2 454 389 A 26 HIS H A 27 THR H 1.0 1.8 3.7 455 390 A 10 GLN HG2 A 10 GLN HE22 1.0 1.8 4.8 456 390 A 10 GLN HG3 A 10 GLN HE22 1.0 1.8 4.8 457 391 A 8 HIS H A 9 CYS H 1.0 1.8 3.8 458 392 A 11 ARG H A 6 CYS HB2 1.0 1.8 4.1 459 393 A 25 ILE HG12 A 25 ILE HA 1.0 1.8 4.6 460 393 A 25 ILE HG13 A 25 ILE HA 1.0 1.8 4.6 461 394 A 5 VAL H A 5 VAL HB 1.0 1.8 4.0 462 395 A 19 LEU HB2 A 19 LEU HA 1.0 1.8 3.8 463 396 A 25 ILE HG2% A 26 HIS HBy 1.0 1.8 6.0 464 397 A 20 GLN H A 19 LEU H 1.0 1.8 3.7 465 398 A 20 GLN H A 20 GLN HGy 1.0 1.8 4.6 466 399 A 4 TYR H A 4 TYR HBx 1.0 1.8 4.2 467 400 A 22 HIS HA A 25 ILE H 1.0 1.8 5.4 468 401 A 11 ARG H A 10 GLN H 1.0 1.8 3.6 469 402 A 12 GLN HE21 A 12 GLN HE22 1.0 1.8 2.6 470 403 A 22 HIS H A 20 GLN HA 1.0 1.8 4.0 471 404 A 21 ARG H A 23 VAL H 1.0 1.8 4.6 472 405 A 21 ARG H A 21 ARG HDy 1.0 1.8 5.5 473 406 A 11 ARG H A 10 GLN H 1.0 1.8 4.0 474 407 A 3 PRO HA A 3 PRO HBx 1.0 1.8 4.0 475 408 A 29 GLU HA A 29 GLU HGy 1.0 1.8 3.6 476 409 A 15 ASP HBx A 14 ALA HB% 1.0 1.8 4.4 477 410 A 25 ILE HG2% A 26 HIS HBx 1.0 1.8 5.4 478 411 A 23 VAL H A 22 HIS HA 1.0 1.8 4.3 479 412 A 5 VAL H A 4 TYR HA 1.0 1.8 4.8 480 413 A 11 ARG H A 10 GLN HA 1.0 1.8 3.7 481 414 A 21 ARG H A 20 GLN HA 1.0 1.8 3.2 482 415 A 9 CYS HBy A 9 CYS H 1.0 1.8 4.2 483 416 A 13 PHE H A 12 GLN H 1.0 1.8 5.4 484 417 A 14 ALA HB% A 14 ALA H 1.0 1.8 4.8 485 418 A 10 GLN HG2 A 10 GLN HE21 1.0 1.8 4.2 486 418 A 10 GLN HG3 A 10 GLN HE21 1.0 1.8 4.2 487 419 A 24 ARG H A 24 ARG HGx 1.0 1.8 4.0 488 420 A 26 HIS HE1 A 9 CYS HBy 1.0 1.8 4.2 489 421 A 3 PRO HBy A 3 PRO HBx 1.0 1.8 2.9 490 422 A 7 ILE H A 7 ILE HG12 1.0 1.8 4.2 491 422 A 7 ILE H A 7 ILE HG13 1.0 1.8 4.2 492 423 A 10 GLN H A 10 GLN HA 1.0 1.8 3.2 493 424 A 22 HIS HB2 A 22 HIS HD2 1.0 1.8 4.4 494 425 A 25 ILE HG12 A 22 HIS H 1.0 1.8 4.7 495 425 A 25 ILE HG13 A 22 HIS H 1.0 1.8 4.7 496 426 A 10 GLN H A 10 GLN HBy 1.0 1.8 5.0 497 427 A 10 GLN HG2 A 10 GLN H 1.0 1.8 3.8 498 427 A 10 GLN HG3 A 10 GLN H 1.0 1.8 3.8 499 428 A 21 ARG H A 18 ALA HA 1.0 1.8 3.2 500 429 A 15 ASP H A 14 ALA HB% 1.0 1.8 3.5 501 430 A 10 GLN H A 9 CYS H 1.0 1.8 3.5 502 431 A 22 HIS HB2 A 19 LEU HDx% 1.0 1.8 4.6 503 432 A 26 HIS HD2 A 26 HIS HBy 1.0 1.8 4.3 504 433 A 21 ARG H A 21 ARG HG2 1.0 1.8 4.1 505 433 A 21 ARG H A 21 ARG HG3 1.0 1.8 4.1 506 434 A 25 ILE HB A 25 ILE HD1% 1.0 1.8 3.5 507 435 A 5 VAL HGx% A 12 GLN HGx 1.0 1.8 4.0 508 436 A 27 THR HA A 28 GLY H 1.0 1.8 5.0 509 437 A 27 THR HG2% A 26 HIS HBy 1.0 1.8 5.3 510 438 A 4 TYR HBy A 19 LEU HB3 1.0 1.8 4.6 511 439 A 23 VAL H A 20 GLN HA 1.0 1.8 5.0 512 440 A 15 ASP HBy A 17 GLY HA2 1.0 1.8 3.8 513 440 A 15 ASP HBy A 17 GLY HA3 1.0 1.8 3.8 514 441 A 22 HIS HB2 A 22 HIS HA 1.0 1.8 3.1 515 442 A 20 GLN H A 20 GLN HGy 1.0 1.8 4.1 516 443 A 12 GLN HGx A 12 GLN HE22 1.0 1.8 4.7 517 444 A 11 ARG H A 5 VAL HB 1.0 1.8 3.8 518 445 A 9 CYS H A 10 GLN HA 1.0 1.8 4.3 519 446 A 3 PRO HDx A 3 PRO HBy 1.0 1.8 4.1 520 447 A 13 PHE HDy A 13 PHE HB2 1.0 1.8 4.1 521 447 A 13 PHE HDx A 13 PHE HB2 1.0 1.8 4.1 522 448 A 3 PRO HDx A 3 PRO HGy 1.0 1.8 3.6 523 449 A 26 HIS H A 25 ILE HD1% 1.0 1.8 5.2 524 450 A 17 GLY H A 19 LEU H 1.0 1.8 4.4 525 451 A 30 LYS H A 30 LYS HA 1.0 1.8 4.3 526 452 A 20 GLN H A 20 GLN HA 1.0 1.8 3.1 527 453 A 17 GLY HA2 A 19 LEU H 1.0 1.8 5.3 528 453 A 17 GLY HA3 A 19 LEU H 1.0 1.8 5.3 529 454 A 6 CYS HA A 6 CYS HB2 1.0 1.8 4.8 530 455 A 10 GLN HG2 A 10 GLN HBy 1.0 1.8 2.8 531 455 A 10 GLN HG3 A 10 GLN HBy 1.0 1.8 2.8 532 456 A 23 VAL HA A 23 VAL HB 1.0 1.8 4.1 533 457 A 26 HIS HE1 A 26 HIS HD2 1.0 1.8 4.9 534 458 A 21 ARG HBx A 21 ARG HA 1.0 1.8 3.0 535 459 A 13 PHE HDy A 19 LEU HDx% 1.0 1.8 4.0 536 459 A 13 PHE HDx A 19 LEU HDx% 1.0 1.8 4.0 537 460 A 29 GLU HA A 29 GLU HBx 1.0 1.8 3.1 538 461 A 26 HIS H A 25 ILE HA 1.0 1.8 4.6 539 462 A 10 GLN HBx A 10 GLN HA 1.0 1.8 4.2 540 463 A 7 ILE HD1% A 7 ILE HB 1.0 1.8 3.6 541 464 A 8 HIS H A 10 GLN H 1.0 1.8 4.6 542 465 A 20 GLN HA A 20 GLN HGy 1.0 1.8 3.7 543 466 A 21 ARG H A 21 ARG HBx 1.0 1.8 3.0 544 467 A 12 GLN HE21 A 12 GLN HE22 1.0 1.8 2.6 545 468 A 7 ILE HA A 7 ILE HG2% 1.0 1.8 3.7 546 469 A 26 HIS H A 25 ILE H 1.0 1.8 3.8 547 470 A 23 VAL H A 22 HIS HA 1.0 1.8 3.6 548 471 A 5 VAL HB A 10 GLN HA 1.0 1.8 5.3 549 472 A 20 GLN H A 19 LEU HB2 1.0 1.8 4.4 550 473 A 11 ARG HBy A 11 ARG HA 1.0 1.8 3.2 551 474 A 26 HIS H A 26 HIS HBy 1.0 1.8 3.8 552 475 A 26 HIS H A 25 ILE HG2% 1.0 1.8 4.7 553 476 A 25 ILE HG12 A 22 HIS HA 1.0 1.8 5.0 554 476 A 25 ILE HG13 A 22 HIS HA 1.0 1.8 5.0 555 477 A 15 ASP HBx A 18 ALA HB% 1.0 1.8 4.1 556 478 A 8 HIS HB3 A 9 CYS H 1.0 1.8 4.6 557 479 A 19 LEU H A 18 ALA H 1.0 1.8 4.1 558 480 A 7 ILE HA A 7 ILE HB 1.0 1.8 3.6 559 481 A 4 TYR H A 4 TYR HBx 1.0 1.8 3.6 560 482 A 18 ALA H A 18 ALA HA 1.0 1.8 4.0 561 483 A 12 GLN H A 12 GLN HBx 1.0 1.8 4.1 562 484 A 6 CYS HA A 6 CYS H 1.0 1.8 3.8 563 485 A 13 PHE H A 12 GLN HA 1.0 1.8 4.3 564 486 A 29 GLU HA A 30 LYS H 1.0 1.8 3.5 565 487 A 6 CYS HB2 A 9 CYS H 1.0 1.8 4.1 566 488 A 9 CYS HA A 9 CYS HBy 1.0 1.8 3.5 567 489 A 13 PHE H A 13 PHE HB3 1.0 1.8 4.8 568 490 A 5 VAL HB A 5 VAL HGy% 1.0 1.8 2.8 569 490 A 5 VAL HGx% A 5 VAL HB 1.0 1.8 2.8 570 491 A 25 ILE H A 25 ILE HB 1.0 1.8 3.6 571 492 A 8 HIS H A 26 HIS HD2 1.0 1.8 5.4 572 493 A 15 ASP HBy A 18 ALA H 1.0 1.8 5.2 573 494 A 5 VAL H A 5 VAL HA 1.0 1.8 3.7 574 495 A 22 HIS HB3 A 22 HIS HD2 1.0 1.8 4.6 575 496 A 7 ILE H A 7 ILE HG2% 1.0 1.8 3.7 576 497 A 22 HIS H A 22 HIS HB2 1.0 1.8 3.4 577 498 A 4 TYR HBy A 4 TYR HBx 1.0 1.8 3.1 578 499 A 5 VAL H A 4 TYR H 1.0 1.8 5.3 579 500 A 18 ALA HB% A 13 PHE HDy 1.0 1.8 3.6 580 500 A 18 ALA HB% A 13 PHE HDx 1.0 1.8 3.6 581 501 A 28 GLY HAy A 28 GLY H 1.0 1.8 4.3 582 502 A 21 ARG HA A 21 ARG HDx 1.0 1.8 4.1 583 503 A 5 VAL H A 4 TYR HBx 1.0 1.8 5.0 584 504 A 15 ASP H A 14 ALA H 1.0 1.8 4.4 585 505 A 5 VAL HGy% A 3 PRO HBx 1.0 1.8 4.9 586 505 A 5 VAL HGx% A 3 PRO HBx 1.0 1.8 4.9 587 506 A 22 HIS HB2 A 22 HIS HD2 1.0 1.8 4.1 588 507 A 26 HIS H A 25 ILE H 1.0 1.8 3.8 589 508 A 7 ILE H A 7 ILE HB 1.0 1.8 4.2 590 509 A 8 HIS HB2 A 26 HIS HBy 1.0 1.8 5.0 591 510 A 8 HIS HB3 A 26 HIS HD2 1.0 1.8 5.4 592 511 A 10 GLN HG2 A 10 GLN HE22 1.0 1.8 5.0 593 511 A 10 GLN HG3 A 10 GLN HE22 1.0 1.8 5.0 594 512 A 3 PRO HA A 3 PRO HBy 1.0 1.8 4.3 595 513 A 5 VAL H A 19 LEU HDy% 1.0 1.8 3.8 596 514 A 8 HIS HB3 A 26 HIS HD2 1.0 1.8 4.4 597 515 A 28 GLY H A 28 GLY HAx 1.0 1.8 4.4 598 516 A 11 ARG HBy A 11 ARG H 1.0 1.8 3.5 599 517 A 23 VAL H A 23 VAL HB 1.0 1.8 4.4 600 518 A 22 HIS HB3 A 22 HIS HD2 1.0 1.8 4.2 601 519 A 20 GLN HA A 20 GLN HGy 1.0 1.8 4.4 602 520 A 25 ILE HG12 A 25 ILE H 1.0 1.8 4.3 603 520 A 25 ILE HG13 A 25 ILE H 1.0 1.8 4.3 604 521 A 9 CYS HBx A 9 CYS HBy 1.0 1.8 2.9 605 522 A 6 CYS HB3 A 22 HIS HD2 1.0 1.8 4.0 606 523 A 20 GLN HA A 24 ARG H 1.0 1.8 4.4 607 524 A 13 PHE H A 12 GLN HGy 1.0 1.8 5.4 608 525 A 7 ILE HD1% A 7 ILE HA 1.0 1.8 4.4 609 526 A 11 ARG HBx A 11 ARG HDy 1.0 1.8 4.8 610 527 A 8 HIS H A 10 GLN H 1.0 1.8 4.9 611 528 A 4 TYR HDy A 16 PRO HDx 1.0 1.8 4.4 612 528 A 4 TYR HDx A 16 PRO HDx 1.0 1.8 4.4 613 529 A 8 HIS H A 9 CYS H 1.0 1.8 3.8 614 530 A 30 LYS H A 29 GLU HBx 1.0 1.8 4.1 615 531 A 12 GLN H A 12 GLN HGy 1.0 1.8 4.1 616 532 A 27 THR HA A 27 THR HG2% 1.0 1.8 3.6 617 533 A 9 CYS HBx A 8 HIS HB3 1.0 1.8 5.4 618 534 A 10 GLN H A 9 CYS H 1.0 1.8 3.2 619 535 A 8 HIS HB2 A 8 HIS HB3 1.0 1.8 3.1 620 536 A 11 ARG HA A 11 ARG H 1.0 1.8 3.5 621 537 A 4 TYR HDy A 4 TYR HBy 1.0 1.8 3.4 622 537 A 4 TYR HDx A 4 TYR HBy 1.0 1.8 3.4 623 538 A 26 HIS H A 26 HIS HBx 1.0 1.8 3.8 624 539 A 9 CYS HBy A 9 CYS H 1.0 1.8 3.5 625 540 A 22 HIS HB2 A 19 LEU HA 1.0 1.8 4.1 626 541 A 29 GLU HA A 29 GLU HGx 1.0 1.8 3.6 627 542 A 29 GLU HA A 29 GLU H 1.0 1.8 4.2 628 543 A 4 TYR H A 3 PRO HBx 1.0 1.8 4.8 629 544 A 22 HIS H A 22 HIS HB2 1.0 1.8 3.5 630 545 A 27 THR HB A 28 GLY H 1.0 1.8 5.2 631 546 A 17 GLY H A 15 ASP HBx 1.0 1.8 5.2 632 547 A 7 ILE HD1% A 7 ILE HA 1.0 1.8 3.2 633 548 A 22 HIS HB3 A 19 LEU HDx% 1.0 1.8 4.4 634 549 A 8 HIS H A 7 ILE H 1.0 1.8 3.8 635 550 A 19 LEU HB2 A 19 LEU H 1.0 1.8 4.1 636 551 A 13 PHE HB2 A 13 PHE HB3 1.0 1.8 3.4 637 552 A 11 ARG H A 11 ARG HG2 1.0 1.8 3.8 638 552 A 11 ARG H A 11 ARG HG3 1.0 1.8 3.8 639 553 A 7 ILE HD1% A 7 ILE HG12 1.0 1.8 2.9 640 553 A 7 ILE HD1% A 7 ILE HG13 1.0 1.8 2.9 641 554 A 12 GLN HE21 A 5 VAL HGy% 1.0 1.8 5.0 642 554 A 5 VAL HGx% A 12 GLN HE21 1.0 1.8 5.0 643 555 A 5 VAL H A 6 CYS H 1.0 1.8 5.0 644 556 A 5 VAL HGx% A 12 GLN HGy 1.0 1.8 4.2 645 557 A 13 PHE H A 13 PHE HA 1.0 1.8 3.8 646 558 A 18 ALA HB% A 18 ALA H 1.0 1.8 3.5 647 559 A 26 HIS HE1 A 9 CYS HBy 1.0 1.8 3.5 648 560 A 24 ARG H A 24 ARG HGy 1.0 1.8 4.1 649 561 A 26 HIS H A 26 HIS HBy 1.0 1.8 4.4 650 562 A 19 LEU H A 18 ALA HB% 1.0 1.8 3.8 651 563 A 26 HIS H A 25 ILE HG2% 1.0 1.8 4.2 652 564 A 11 ARG HBy A 12 GLN H 1.0 1.8 3.7 653 565 A 22 HIS H A 18 ALA HB% 1.0 1.8 4.0 654 566 A 3 PRO HBy A 5 VAL HGy% 1.0 1.8 5.0 655 566 A 3 PRO HBy A 5 VAL HGx% 1.0 1.8 5.0 656 567 A 21 ARG H A 19 LEU H 1.0 1.8 4.7 657 568 A 11 ARG HA A 11 ARG H 1.0 1.8 2.9 658 569 A 5 VAL H A 4 TYR HDy 1.0 1.8 4.8 659 569 A 5 VAL H A 4 TYR HDx 1.0 1.8 4.8 660 570 A 20 GLN HBy A 20 GLN HA 1.0 1.8 3.4 661 571 A 18 ALA HB% A 18 ALA HA 1.0 1.8 3.0 662 572 A 29 GLU HA A 29 GLU HBx 1.0 1.8 4.0 663 573 A 12 GLN HGx A 12 GLN HA 1.0 1.8 5.5 664 574 A 19 LEU H A 18 ALA H 1.0 1.8 3.5 665 575 A 26 HIS H A 26 HIS HA 1.0 1.8 4.1 666 576 A 8 HIS HB3 A 9 CYS H 1.0 1.8 4.2 667 577 A 8 HIS H A 7 ILE HB 1.0 1.8 3.8 668 578 A 15 ASP H A 14 ALA H 1.0 1.8 5.3 669 579 A 8 HIS HA A 8 HIS H 1.0 1.8 4.3 670 580 A 4 TYR HDy A 4 TYR H 1.0 1.8 4.0 671 580 A 4 TYR HDx A 4 TYR H 1.0 1.8 4.0 672 581 A 12 GLN HGy A 12 GLN HE22 1.0 1.8 4.6 673 582 A 4 TYR H A 3 PRO HBx 1.0 1.8 5.2 674 583 A 23 VAL HA A 22 HIS HB3 1.0 1.8 4.4 675 584 A 17 GLY H A 18 ALA H 1.0 1.8 3.8 676 585 A 29 GLU H A 29 GLU HBx 1.0 1.8 4.0 677 586 A 17 GLY H A 16 PRO HDx 1.0 1.8 4.6 678 587 A 13 PHE HDy A 13 PHE HB3 1.0 1.8 3.8 679 587 A 13 PHE HDx A 13 PHE HB3 1.0 1.8 3.8 680 588 A 12 GLN HE21 A 12 GLN HGy 1.0 1.8 4.1 681 589 A 8 HIS HB2 A 26 HIS HD2 1.0 1.8 5.0 682 590 A 16 PRO HA A 19 LEU H 1.0 1.8 4.1 683 591 A 19 LEU HA A 19 LEU HDx% 1.0 1.8 3.6 684 592 A 23 VAL HA A 23 VAL HG2% 1.0 1.8 3.4 685 592 A 23 VAL HA A 23 VAL HG1% 1.0 1.8 3.4 686 593 A 23 VAL H A 23 VAL HG2% 1.0 1.8 3.7 687 593 A 23 VAL H A 23 VAL HG1% 1.0 1.8 3.7 688 594 A 23 VAL HG2% A 19 LEU HDx% 1.0 1.8 3.5 689 594 A 23 VAL HG1% A 19 LEU HDx% 1.0 1.8 3.5 690 595 A 22 HIS HB2 A 23 VAL HG2% 1.0 1.8 4.3 691 595 A 22 HIS HB2 A 23 VAL HG1% 1.0 1.8 4.3 692 596 A 7 ILE HD1% A 23 VAL HG2% 1.0 1.8 4.4 693 596 A 7 ILE HD1% A 23 VAL HG1% 1.0 1.8 4.4 694 597 A 23 VAL HB A 23 VAL HG2% 1.0 1.8 3.4 695 597 A 23 VAL HG1% A 23 VAL HB 1.0 1.8 3.4 696 598 A 23 VAL H A 23 VAL HG2% 1.0 1.8 3.6 697 598 A 23 VAL H A 23 VAL HG1% 1.0 1.8 3.6 698 599 A 20 GLN HA A 23 VAL HG2% 1.0 1.8 3.8 699 599 A 20 GLN HA A 23 VAL HG1% 1.0 1.8 3.8 700 600 A 23 VAL HB A 23 VAL HG2% 1.0 1.8 3.2 701 600 A 23 VAL HG1% A 23 VAL HB 1.0 1.8 3.2 702 601 A 24 ARG H A 23 VAL HG2% 1.0 1.8 3.5 703 601 A 24 ARG H A 23 VAL HG1% 1.0 1.8 3.5 704 602 A 22 HIS HD2 A 23 VAL HG2% 1.0 1.8 3.7 705 602 A 22 HIS HD2 A 23 VAL HG1% 1.0 1.8 3.7 706 603 A 22 HIS H A 23 VAL HG2% 1.0 1.8 4.7 707 603 A 22 HIS H A 23 VAL HG1% 1.0 1.8 4.7 708 604 A 7 ILE H A 23 VAL HG2% 1.0 1.8 5.0 709 604 A 7 ILE H A 23 VAL HG1% 1.0 1.8 5.0 710 605 A 8 HIS H A 23 VAL HG2% 1.0 1.8 4.7 711 605 A 8 HIS H A 23 VAL HG1% 1.0 1.8 4.7 712 606 A 19 LEU HA A 23 VAL HG2% 1.0 1.8 4.6 713 606 A 19 LEU HA A 23 VAL HG1% 1.0 1.8 4.6 714 607 A 24 ARG HA A 23 VAL HG2% 1.0 1.8 4.7 715 607 A 24 ARG HA A 23 VAL HG1% 1.0 1.8 4.7 716 608 A 23 VAL HA A 23 VAL HG2% 1.0 1.8 3.6 717 608 A 23 VAL HA A 23 VAL HG1% 1.0 1.8 3.6 718 609 A 24 ARG H A 23 VAL HG2% 1.0 1.8 4.2 719 609 A 24 ARG H A 23 VAL HG1% 1.0 1.8 4.2 720 610 A 7 ILE HB A 23 VAL HG2% 1.0 1.8 4.0 721 610 A 23 VAL HG1% A 7 ILE HB 1.0 1.8 4.0 722 611 A 22 HIS HD2 A 23 VAL HG2% 1.0 1.8 3.6 723 611 A 22 HIS HD2 A 23 VAL HG1% 1.0 1.8 3.6 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 LYS C A 3 PRO N A 3 PRO CA A 3 PRO C 1.0 -90.0 -40.28 PHI 2 2 A 3 PRO N A 3 PRO CA A 3 PRO C A 4 TYR N 1.0 120.0 189.90 PSI 3 3 A 3 PRO C A 4 TYR N A 4 TYR CA A 4 TYR C 1.0 -180.0 9.44 PHI 4 4 A 4 TYR N A 4 TYR CA A 4 TYR C A 5 VAL N 1.0 90.0 184.06 PSI 5 5 A 4 TYR C A 5 VAL N A 5 VAL CA A 5 VAL C 1.0 -150.0 -75.48 PHI 6 6 A 5 VAL N A 5 VAL CA A 5 VAL C A 6 CYS N 1.0 100.0 150.70 PSI 7 7 A 5 VAL C A 6 CYS N A 6 CYS CA A 6 CYS C 1.0 -120.0 -52.34 PHI 8 8 A 6 CYS N A 6 CYS CA A 6 CYS C A 7 ILE N 1.0 90.0 140.44 PSI 9 9 A 6 CYS C A 7 ILE N A 7 ILE CA A 7 ILE C 1.0 -90.0 -22.38 PHI 10 10 A 7 ILE N A 7 ILE CA A 7 ILE C A 8 HIS N 1.0 -60.0 10.24 PSI 11 11 A 7 ILE C A 8 HIS N A 8 HIS CA A 8 HIS C 1.0 -110.0 -28.52 PHI 12 12 A 8 HIS N A 8 HIS CA A 8 HIS C A 9 CYS N 1.0 -60.0 8.20 PSI 13 13 A 8 HIS C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -130.0 -49.86 PHI 14 14 A 9 CYS N A 9 CYS CA A 9 CYS C A 10 GLN N 1.0 -40.0 20.02 PSI 15 15 A 9 CYS C A 10 GLN N A 10 GLN CA A 10 GLN C 1.0 40.0 70.32 PHI 16 16 A 10 GLN N A 10 GLN CA A 10 GLN C A 11 ARG N 1.0 0.0 81.04 PSI 17 17 A 11 ARG N A 11 ARG CA A 11 ARG C A 12 GLN N 1.0 120.0 170.88 PSI 18 18 A 11 ARG C A 12 GLN N A 12 GLN CA A 12 GLN C 1.0 -170.0 -77.74 PHI 19 19 A 12 GLN N A 12 GLN CA A 12 GLN C A 13 PHE N 1.0 100.0 185.78 PSI 20 20 A 12 GLN C A 13 PHE N A 13 PHE CA A 13 PHE C 1.0 -170.0 -99.22 PHI 21 21 A 13 PHE N A 13 PHE CA A 13 PHE C A 14 ALA N 1.0 110.0 209.92 PSI 22 22 A 13 PHE C A 14 ALA N A 14 ALA CA A 14 ALA C 1.0 -110.0 -40.64 PHI 23 23 A 14 ALA N A 14 ALA CA A 14 ALA C A 15 ASP N 1.0 -60.0 9.88 PSI 24 24 A 14 ALA C A 15 ASP N A 15 ASP CA A 15 ASP C 1.0 -160.0 2.66 PHI 25 25 A 15 ASP N A 15 ASP CA A 15 ASP C A 16 PRO N 1.0 90.0 155.64 PSI 26 26 A 15 ASP C A 16 PRO N A 16 PRO CA A 16 PRO C 1.0 -80.0 -30.04 PHI 27 27 A 16 PRO N A 16 PRO CA A 16 PRO C A 17 GLY N 1.0 -60.0 -9.94 PSI 28 28 A 16 PRO C A 17 GLY N A 17 GLY CA A 17 GLY C 1.0 -90.0 -24.12 PHI 29 29 A 17 GLY N A 17 GLY CA A 17 GLY C A 18 ALA N 1.0 -70.0 5.44 PSI 30 30 A 17 GLY C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -90.0 -38.86 PHI 31 31 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 LEU N 1.0 -70.0 -11.64 PSI 32 32 A 18 ALA C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 -90.0 -39.04 PHI 33 33 A 19 LEU N A 19 LEU CA A 19 LEU C A 20 GLN N 1.0 -70.0 -18.50 PSI 34 34 A 19 LEU C A 20 GLN N A 20 GLN CA A 20 GLN C 1.0 -80.0 -45.76 PHI 35 35 A 20 GLN N A 20 GLN CA A 20 GLN C A 21 ARG N 1.0 -70.0 -15.94 PSI 36 36 A 20 GLN C A 21 ARG N A 21 ARG CA A 21 ARG C 1.0 -90.0 -38.64 PHI 37 37 A 21 ARG N A 21 ARG CA A 21 ARG C A 22 HIS N 1.0 -70.0 -19.74 PSI 38 38 A 21 ARG C A 22 HIS N A 22 HIS CA A 22 HIS C 1.0 -90.0 -39.96 PHI 39 39 A 22 HIS N A 22 HIS CA A 22 HIS C A 23 VAL N 1.0 -70.0 -19.20 PSI 40 40 A 22 HIS C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -90.0 -39.82 PHI 41 41 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 ARG N 1.0 -70.0 -19.62 PSI 42 42 A 23 VAL C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -80.0 -32.58 PHI 43 43 A 24 ARG N A 24 ARG CA A 24 ARG C A 25 ILE N 1.0 -60.0 -8.70 PSI 44 44 A 24 ARG C A 25 ILE N A 25 ILE CA A 25 ILE C 1.0 -90.0 -35.64 PHI 45 45 A 25 ILE N A 25 ILE CA A 25 ILE C A 26 HIS N 1.0 -70.0 -10.18 PSI 46 46 A 25 ILE C A 26 HIS N A 26 HIS CA A 26 HIS C 1.0 -110.0 -22.92 PHI 47 47 A 26 HIS N A 26 HIS CA A 26 HIS C A 27 THR N 1.0 -50.0 16.82 PSI 48 48 A 26 HIS C A 27 THR N A 27 THR CA A 27 THR C 1.0 -130.0 -68.00 PHI 49 49 A 27 THR N A 27 THR CA A 27 THR C A 28 GLY N 1.0 -40.0 49.18 PSI 50 50 A 28 GLY C A 29 GLU N A 29 GLU CA A 29 GLU C 1.0 -120.0 -36.04 PHI 51 51 A 29 GLU N A 29 GLU CA A 29 GLU C A 30 LYS N 1.0 -60.0 35.82 PSI 52 52 A 29 GLU C A 30 LYS N A 30 LYS CA A 30 LYS C 1.0 -160.0 -65.36 PHI 53 53 A 6 CYS N A 6 CYS CA A 6 CYS CB A 6 CYS SG 1.0 140.0 220.00 CHI1 54 54 A 8 HIS N A 8 HIS CA A 8 HIS CB A 8 HIS CG 1.0 140.0 220.00 CHI1 55 55 A 9 CYS N A 9 CYS CA A 9 CYS CB A 9 CYS SG 1.0 20.0 100.00 CHI1 56 56 A 13 PHE N A 13 PHE CA A 13 PHE CB A 13 PHE CG 1.0 -100.0 -20.00 CHI1 57 57 A 19 LEU N A 19 LEU CA A 19 LEU CB A 19 LEU CG 1.0 -100.0 -20.00 CHI1 58 58 A 22 HIS N A 22 HIS CA A 22 HIS CB A 22 HIS CG 1.0 140.0 220.00 CHI1 stop_ save_