data_nef_c17545_2lb3 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 BMRB 17544 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 2 3 GLU C 2 4 TPO N 2 4 TPO C 2 5 PRO N 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 10 LYS start . . 2 A 11 LEU middle . . 3 A 12 PRO middle . false 4 A 13 PRO middle . false 5 A 14 GLY middle . false 6 A 15 TRP middle . . 7 A 16 GLU middle . . 8 A 17 LYS middle . . 9 A 18 ARG middle . . 10 A 19 MET middle . . 11 A 20 SER middle . . 12 A 21 ARG middle . . 13 A 22 SER middle . . 14 A 23 SER middle . . 15 A 24 GLY middle . false 16 A 25 ARG middle . . 17 A 26 VAL middle . . 18 A 27 TYR middle . . 19 A 28 TYR middle . . 20 A 29 PHE middle . . 21 A 30 ASN middle . . 22 A 31 HIS middle . . 23 A 32 ILE middle . . 24 A 33 THR middle . . 25 A 34 ASN middle . . 26 A 35 ALA middle . . 27 A 36 SER middle . . 28 A 37 GLN middle . . 29 A 38 TRP middle . . 30 A 39 GLU middle . . 31 A 40 ARG middle . . 32 A 41 PRO middle . false 33 A 42 SER middle . . 34 A 43 GLY middle . false 35 A 44 ASN middle . . 36 A 45 SER end . . 37 B 176 ILE start . . 38 B 177 PRO middle . false 39 B 178 GLU middle . . 40 B 179 TPO middle . . 41 B 180 PRO middle . false 42 B 181 PRO middle . false 43 B 182 PRO middle . false 44 B 183 GLY end . false 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 10 LYS H1 H 1 8.135 0.000 A 10 LYS HA H 1 4.047 0.003 A 10 LYS HBy H 1 1.596 0.000 A 10 LYS HBx H 1 1.544 0.000 A 10 LYS HD2 H 1 1.241 0.001 A 10 LYS HEx H 1 2.784 0.000 A 10 LYS HG2 H 1 1.479 0.000 A 10 LYS CA C 13 53.800 0.000 A 10 LYS CB C 13 30.093 0.001 A 10 LYS N N 15 123.823 0.000 A 11 LEU H H 1 8.436 0.005 A 11 LEU HA H 1 4.382 0.000 A 11 LEU HBy H 1 1.635 0.000 A 11 LEU HBx H 1 1.565 0.007 A 11 LEU HD1% H 1 0.856 0.000 A 11 LEU HD2% H 1 0.549 0.004 A 11 LEU HG H 1 1.178 0.000 A 11 LEU CA C 13 50.169 0.003 A 11 LEU CB C 13 39.677 0.001 A 11 LEU N N 15 125.188 0.000 A 12 PRO HA H 1 4.605 0.000 A 12 PRO HBy H 1 2.361 0.000 A 12 PRO HBx H 1 1.768 0.000 A 12 PRO HDy H 1 3.457 0.000 A 12 PRO HDx H 1 2.766 0.000 A 12 PRO HGy H 1 1.544 0.000 A 12 PRO HGx H 1 1.395 0.000 A 13 PRO HA H 1 4.123 0.000 A 13 PRO HBy H 1 2.135 0.000 A 13 PRO HBx H 1 1.942 0.000 A 13 PRO HDy H 1 3.701 0.000 A 13 PRO HDx H 1 3.405 0.000 A 13 PRO HGy H 1 1.814 0.003 A 13 PRO HGx H 1 1.636 0.004 A 13 PRO CA C 13 62.005 0.000 A 13 PRO CB C 13 29.185 0.000 A 14 GLY H H 1 8.578 0.000 A 14 GLY HAy H 1 3.778 0.000 A 14 GLY HAx H 1 3.004 0.000 A 14 GLY CA C 13 42.440 0.000 A 14 GLY N N 15 111.886 0.000 A 15 TRP H H 1 7.175 0.000 A 15 TRP HA H 1 5.027 0.000 A 15 TRP HB2 H 1 3.016 0.199 A 15 TRP HB3 H 1 2.749 0.000 A 15 TRP HD1 H 1 6.728 0.000 A 15 TRP HE1 H 1 10.369 0.000 A 15 TRP HE3 H 1 6.785 0.000 A 15 TRP HH2 H 1 7.222 0.000 A 15 TRP HZ2 H 1 7.171 0.001 A 15 TRP HZ3 H 1 6.705 0.000 A 15 TRP CA C 13 54.775 0.000 A 15 TRP CB C 13 29.891 0.000 A 15 TRP N N 15 117.296 0.003 A 15 TRP NE1 N 15 129.427 0.000 A 16 GLU H H 1 9.610 0.000 A 16 GLU HA H 1 4.620 0.000 A 16 GLU HBy H 1 2.036 0.000 A 16 GLU HBx H 1 1.958 0.000 A 16 GLU HGy H 1 2.310 0.003 A 16 GLU HGx H 1 2.292 0.001 A 16 GLU CA C 13 52.018 0.000 A 16 GLU CB C 13 31.943 0.002 A 16 GLU N N 15 120.870 0.000 A 17 LYS H H 1 8.667 0.000 A 17 LYS HA H 1 4.266 0.000 A 17 LYS HB2 H 1 1.498 0.000 A 17 LYS HB3 H 1 1.398 0.000 A 17 LYS HDx H 1 0.905 0.017 A 17 LYS HE2 H 1 2.746 0.000 A 17 LYS HGx H 1 0.846 0.000 A 17 LYS CA C 13 53.565 0.000 A 17 LYS CB C 13 30.934 0.000 A 17 LYS N N 15 124.642 0.000 A 18 ARG H H 1 8.602 0.000 A 18 ARG HA H 1 4.110 0.000 A 18 ARG HBy H 1 0.873 0.006 A 18 ARG HBx H 1 -0.239 0.000 A 18 ARG HDy H 1 2.679 0.000 A 18 ARG HDx H 1 2.532 0.000 A 18 ARG HE H 1 6.612 0.000 A 18 ARG HG2 H 1 0.961 0.005 A 18 ARG HG3 H 1 1.073 0.000 A 18 ARG HH2x H 1 6.213 0.000 A 18 ARG CA C 13 51.379 0.000 A 18 ARG CB C 13 31.068 0.002 A 18 ARG N N 15 126.206 0.000 A 18 ARG NE N 15 112.604 0.000 A 19 MET H H 1 7.979 0.003 A 19 MET HA H 1 4.697 0.000 A 19 MET HBx H 1 1.578 0.000 A 19 MET HGy H 1 2.224 0.000 A 19 MET HGx H 1 1.767 0.000 A 19 MET CA C 13 51.312 0.000 A 19 MET CB C 13 31.708 0.000 A 19 MET N N 15 117.023 0.000 A 20 SER H H 1 8.988 0.000 A 20 SER HA H 1 4.775 0.000 A 20 SER HB2 H 1 4.165 0.000 A 20 SER HB3 H 1 4.080 0.007 A 20 SER CA C 13 55.145 0.000 A 20 SER CB C 13 60.929 0.002 A 20 SER N N 15 120.523 0.000 A 21 ARG H H 1 8.473 0.000 A 21 ARG HA H 1 3.849 0.001 A 21 ARG HBx H 1 1.749 0.000 A 21 ARG HDy H 1 3.087 0.096 A 21 ARG HDx H 1 2.914 0.000 A 21 ARG HE H 1 7.761 0.003 A 21 ARG HGx H 1 1.571 0.000 A 21 ARG HGy H 1 1.677 0.002 A 21 ARG CA C 13 55.751 0.003 A 21 ARG CB C 13 27.975 0.000 A 21 ARG NE N 15 115.299 0.000 A 22 SER H H 1 8.624 0.005 A 22 SER HA H 1 4.158 0.002 A 22 SER HBy H 1 3.743 0.326 A 22 SER HBx H 1 3.665 0.477 A 22 SER CA C 13 57.548 0.002 A 22 SER CB C 13 61.035 0.000 A 22 SER N N 15 113.028 0.000 A 23 SER H H 1 7.810 0.001 A 23 SER HA H 1 4.165 0.000 A 23 SER HBy H 1 3.738 0.000 A 23 SER HBx H 1 3.521 0.005 A 23 SER CA C 13 55.850 0.000 A 23 SER CB C 13 64.522 0.004 A 23 SER N N 15 112.803 0.001 A 24 GLY H H 1 7.754 0.000 A 24 GLY HAy H 1 3.931 0.001 A 24 GLY HAx H 1 3.644 0.000 A 24 GLY CA C 13 43.914 0.000 A 24 GLY N N 15 112.482 0.002 A 25 ARG H H 1 7.477 0.000 A 25 ARG HA H 1 4.196 0.000 A 25 ARG HB2 H 1 1.542 0.000 A 25 ARG HB3 H 1 1.428 0.002 A 25 ARG HDy H 1 2.609 0.000 A 25 ARG HDx H 1 2.296 0.000 A 25 ARG HE H 1 6.573 0.000 A 25 ARG HGx H 1 1.777 0.000 A 25 ARG HH21 H 1 5.881 0.002 A 25 ARG CA C 13 53.436 0.000 A 25 ARG CB C 13 30.013 0.000 A 25 ARG N N 15 119.530 0.000 A 25 ARG NE N 15 114.165 0.000 A 26 VAL H H 1 8.318 0.003 A 26 VAL HA H 1 4.450 0.002 A 26 VAL HB H 1 1.758 0.002 A 26 VAL HG1% H 1 0.817 0.000 A 26 VAL HG2% H 1 0.577 0.000 A 26 VAL CA C 13 60.052 0.000 A 26 VAL CB C 13 30.371 0.001 A 26 VAL N N 15 124.146 0.000 A 27 TYR H H 1 8.472 0.000 A 27 TYR HA H 1 4.705 0.001 A 27 TYR HBy H 1 2.489 0.000 A 27 TYR HBx H 1 2.231 0.000 A 27 TYR HD1 H 1 6.092 0.000 A 27 TYR HD2 H 1 6.092 0.000 A 27 TYR HE1 H 1 6.568 0.000 A 27 TYR HE2 H 1 6.568 0.000 A 27 TYR CA C 13 52.989 0.001 A 27 TYR CB C 13 36.986 0.000 A 27 TYR N N 15 122.086 0.000 A 28 TYR H H 1 8.786 0.000 A 28 TYR HA H 1 5.098 0.000 A 28 TYR HBy H 1 2.767 0.005 A 28 TYR HBx H 1 2.486 0.000 A 28 TYR HD1 H 1 6.545 0.000 A 28 TYR HD2 H 1 6.545 0.000 A 28 TYR HE1 H 1 6.642 0.000 A 28 TYR HE2 H 1 6.642 0.000 A 28 TYR CA C 13 54.866 0.000 A 28 TYR CB C 13 38.953 0.234 A 28 TYR N N 15 116.502 0.000 A 29 PHE H H 1 9.234 0.001 A 29 PHE HA H 1 5.555 0.000 A 29 PHE HB2 H 1 2.889 0.000 A 29 PHE HB3 H 1 2.533 0.002 A 29 PHE HD1 H 1 6.750 0.001 A 29 PHE HD2 H 1 6.750 0.001 A 29 PHE HE1 H 1 6.705 0.000 A 29 PHE HE2 H 1 6.705 0.000 A 29 PHE HZ H 1 7.026 0.096 A 29 PHE CB C 13 41.863 0.000 A 29 PHE N N 15 124.444 0.000 A 30 ASN H H 1 8.074 0.000 A 30 ASN HA H 1 4.069 0.000 A 30 ASN HBy H 1 1.772 0.000 A 30 ASN HBx H 1 -0.948 0.000 A 30 ASN HD2y H 1 6.383 0.000 A 30 ASN HD2x H 1 4.050 0.000 A 30 ASN CA C 13 48.161 0.000 A 30 ASN CB C 13 35.466 0.004 A 30 ASN N N 15 128.936 0.000 A 30 ASN ND2 N 15 109.682 0.004 A 31 HIS H H 1 7.811 0.000 A 31 HIS HA H 1 3.720 0.000 A 31 HIS HBy H 1 3.054 0.000 A 31 HIS HBx H 1 2.795 0.000 A 31 HIS HD1 H 1 6.751 0.001 A 31 HIS HD2 H 1 6.753 0.017 A 31 HIS HE1 H 1 7.812 0.019 A 31 HIS CA C 13 55.313 0.000 A 31 HIS CB C 13 26.884 0.001 A 31 HIS N N 15 120.721 0.000 A 32 ILE H H 1 8.072 0.003 A 32 ILE HA H 1 3.611 0.000 A 32 ILE HB H 1 1.779 0.000 A 32 ILE HD1% H 1 0.543 0.000 A 32 ILE HG1y H 1 1.024 0.000 A 32 ILE HG1x H 1 0.714 0.000 A 32 ILE HG2% H 1 0.492 0.002 A 32 ILE CA C 13 60.767 0.002 A 32 ILE CB C 13 34.572 0.004 A 32 ILE N N 15 121.846 0.000 A 33 THR H H 1 7.134 0.000 A 33 THR HA H 1 3.833 0.000 A 33 THR HB H 1 4.005 0.001 A 33 THR HG1 H 1 4.842 0.000 A 33 THR HG2% H 1 0.708 0.000 A 33 THR CA C 13 58.711 0.000 A 33 THR CB C 13 67.204 0.003 A 33 THR N N 15 108.089 0.000 A 34 ASN H H 1 7.803 0.001 A 34 ASN HA H 1 4.043 0.000 A 34 ASN HBy H 1 2.902 0.005 A 34 ASN HBx H 1 2.668 0.003 A 34 ASN HD2y H 1 7.196 0.001 A 34 ASN HD2x H 1 6.546 0.000 A 34 ASN CA C 13 52.542 0.000 A 34 ASN N N 15 118.339 0.000 A 34 ASN ND2 N 15 111.862 0.000 A 35 ALA H H 1 6.980 0.000 A 35 ALA HA H 1 4.267 0.004 A 35 ALA HB% H 1 1.043 0.000 A 35 ALA CA C 13 49.770 0.000 A 35 ALA CB C 13 18.391 0.000 A 35 ALA N N 15 121.615 0.007 A 36 SER H H 1 8.222 0.000 A 36 SER HA H 1 5.881 0.000 A 36 SER HBy H 1 3.743 0.000 A 36 SER HBx H 1 3.656 0.000 A 36 SER CA C 13 54.062 0.000 A 36 SER CB C 13 64.611 0.000 A 36 SER N N 15 112.928 0.000 A 37 GLN H H 1 9.356 0.000 A 37 GLN HA H 1 4.653 0.003 A 37 GLN HB2 H 1 2.033 0.000 A 37 GLN HB3 H 1 1.703 0.000 A 37 GLN HE21 H 1 7.328 0.000 A 37 GLN HE22 H 1 6.553 0.000 A 37 GLN HG2 H 1 2.503 0.000 A 37 GLN HG3 H 1 2.280 0.000 A 37 GLN CA C 13 51.916 0.000 A 37 GLN CB C 13 29.298 0.004 A 37 GLN N N 15 115.956 0.000 A 37 GLN NE2 N 15 113.484 0.000 A 38 TRP H H 1 8.734 0.000 A 38 TRP HA H 1 4.731 0.000 A 38 TRP HB2 H 1 3.287 0.199 A 38 TRP HB3 H 1 2.914 0.000 A 38 TRP HD1 H 1 7.174 0.000 A 38 TRP HE1 H 1 9.491 0.000 A 38 TRP HE3 H 1 7.986 0.000 A 38 TRP HH2 H 1 6.756 0.000 A 38 TRP HZ2 H 1 6.998 0.001 A 38 TRP HZ3 H 1 6.648 0.000 A 38 TRP CA C 13 57.191 0.000 A 38 TRP CB C 13 28.225 0.000 A 38 TRP N N 15 121.366 0.003 A 38 TRP NE1 N 15 128.751 0.000 A 39 GLU H H 1 8.152 0.000 A 39 GLU HA H 1 4.127 0.000 A 39 GLU HBx H 1 1.677 0.000 A 39 GLU HGy H 1 2.122 0.000 A 39 GLU HGx H 1 2.027 0.003 A 39 GLU CA C 13 54.330 0.000 A 39 GLU CB C 13 27.063 0.002 A 39 GLU N N 15 117.023 0.000 A 40 ARG H H 1 8.341 0.000 A 40 ARG HA H 1 2.484 0.000 A 40 ARG HBx H 1 1.153 0.000 A 40 ARG HDx H 1 2.785 0.000 A 40 ARG HE H 1 7.044 0.000 A 40 ARG HGy H 1 0.972 0.000 A 40 ARG HGx H 1 0.687 0.000 A 40 ARG CA C 13 51.469 0.000 A 40 ARG CB C 13 27.063 0.000 A 40 ARG N N 15 125.486 0.001 A 40 ARG NE N 15 115.597 0.017 A 41 PRO HA H 1 3.630 0.000 A 41 PRO HBy H 1 0.569 0.000 A 41 PRO HBx H 1 0.374 0.002 A 41 PRO HDy H 1 2.248 0.005 A 41 PRO HDx H 1 2.044 0.000 A 41 PRO HGy H 1 0.359 0.006 A 41 PRO HGx H 1 -0.281 0.000 A 41 PRO CA C 13 59.158 0.000 A 41 PRO CB C 13 28.404 0.000 A 42 SER H H 1 7.993 0.000 A 42 SER HA H 1 4.091 0.000 A 42 SER HBy H 1 3.589 0.000 A 42 SER HBx H 1 3.484 0.003 A 42 SER CA C 13 55.045 0.000 A 42 SER CB C 13 62.197 0.000 A 42 SER N N 15 115.267 0.000 A 43 GLY H H 1 8.350 0.000 A 43 GLY HA2 H 1 3.750 0.000 A 43 GLY CA C 13 42.708 0.000 A 43 GLY N N 15 110.372 0.000 A 44 ASN H H 1 8.235 0.000 A 44 ASN HA H 1 4.579 0.000 A 44 ASN HBy H 1 2.644 0.000 A 44 ASN HBx H 1 2.499 0.002 A 44 ASN HD2y H 1 7.454 0.007 A 44 ASN HD2x H 1 6.745 0.000 A 44 ASN CA C 13 50.665 0.000 A 44 ASN CB C 13 36.271 0.000 A 44 ASN N N 15 118.463 0.000 A 44 ASN ND2 N 15 112.900 0.000 A 45 SER H H 1 7.771 0.001 A 45 SER HA H 1 4.067 0.000 A 45 SER HBx H 1 3.623 0.002 A 45 SER CA C 13 57.459 0.000 A 45 SER CB C 13 61.840 0.000 A 45 SER N N 15 121.260 0.003 B 176 ILE H1 H 1 8.079 0.000 B 176 ILE HA H 1 4.244 0.000 B 176 ILE HD1% H 1 0.390 0.000 B 177 PRO HA H 1 3.787 0.000 B 177 PRO HBy H 1 1.694 0.001 B 177 PRO HBx H 1 1.601 0.000 B 177 PRO HDx H 1 3.173 0.015 B 177 PRO HGy H 1 1.593 0.002 B 177 PRO HGx H 1 1.435 0.005 B 178 GLU H H 1 8.122 0.002 B 178 GLU HA H 1 4.144 0.000 B 178 GLU HBy H 1 1.848 0.005 B 178 GLU HBx H 1 1.738 0.000 B 178 GLU HGy H 1 2.054 0.004 B 178 GLU HGx H 1 1.992 0.003 B 179 TPO H H 1 8.183 0.000 B 180 PRO HA H 1 4.482 0.000 B 180 PRO HBy H 1 1.793 0.000 B 180 PRO HBx H 1 1.687 0.004 B 180 PRO HDy H 1 3.494 0.008 B 180 PRO HDx H 1 3.258 0.000 B 180 PRO HGy H 1 1.802 0.000 B 180 PRO HGx H 1 1.693 0.000 B 181 PRO HA H 1 4.214 0.005 B 181 PRO HBx H 1 2.040 0.008 B 181 PRO HDy H 1 3.697 0.000 B 181 PRO HDx H 1 3.399 0.009 B 181 PRO HGy H 1 1.792 0.009 B 181 PRO HGx H 1 1.599 0.002 B 183 GLY HAy H 1 3.647 0.000 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 18 ARG HBx A 19 MET H 1.0 2.25994615385 7.32625384615 2 2 A 38 TRP HB3 A 39 GLU H 1.0 2.07200769231 5.88539230769 3 3 A 40 ARG HA A 41 PRO HDy 1.0 1.25000000000 2.25000000000 4 4 A 40 ARG HA A 41 PRO HDx 1.0 2.22888461538 7.08811538462 5 5 A 34 ASN HA A 29 PHE HZ 1.0 2.07796153846 5.93103846154 6 6 A 11 LEU HA A 12 PRO HDy 1.0 2.05693846154 5.76986153846 7 7 A 11 LEU HA A 12 PRO HDx 1.0 2.06847692308 5.85832307692 8 8 A 29 PHE HA A 36 SER HA 1.0 1.97090769231 5.11029230769 9 9 A 36 SER HA A 29 PHE HE% 1.0 2.30053846154 7.63746153846 10 10 A 11 LEU HD2% A 28 TYR HD% 1.0 2.15416153846 6.51523846154 11 11 A 11 LEU HD2% A 28 TYR HE% 1.0 2.17128461538 6.64651538462 12 12 A 28 TYR HD% A 40 ARG HBx 1.0 2.23181538462 7.11058461538 13 13 A 28 TYR HD% A 40 ARG HBx 1.0 2.23181538462 7.11058461538 14 14 A 28 TYR HD% A 11 LEU HBy 1.0 2.23530000000 7.13730000000 15 15 A 28 TYR HD% A 11 LEU HBy 1.0 2.23530000000 7.13730000000 16 16 A 11 LEU HA A 15 TRP HD1 1.0 2.32241538462 7.80518461538 17 17 A 12 PRO HDy A 11 LEU HD1% 1.0 2.26426153846 7.35933846154 18 18 A 12 PRO HDy A 11 LEU HD2% 1.0 2.24328461538 7.19851538462 19 19 A 12 PRO HDx A 11 LEU HD1% 1.0 2.13602307692 6.37617692308 20 20 A 12 PRO HDx A 11 LEU HD2% 1.0 2.17165384615 6.64934615385 21 21 A 12 PRO HA A 13 PRO HDx 1.0 2.23943076923 7.16896923077 22 22 A 12 PRO HA A 13 PRO HDy 1.0 2.05486153846 5.75393846154 23 23 A 31 HIS HBy A 29 PHE HD% 1.0 2.20350000000 6.89350000000 24 24 A 29 PHE HE% A 31 HIS HBx 1.0 2.16703846154 6.61396153846 25 25 A 29 PHE HE% A 31 HIS HBy 1.0 2.19048461538 6.79371538462 26 26 A 27 TYR HBx A 38 TRP HE3 1.0 2.16692307692 6.61307692308 27 27 A 38 TRP HE3 A 27 TYR HBy 1.0 2.12081538462 6.25958461538 28 28 A 28 TYR HA A 17 LYS HA 1.0 2.12877692308 6.32062307692 29 29 A 35 ALA H A 30 ASN H 1.0 1.79432307692 3.75647692308 30 30 A 18 ARG HG2 A 27 TYR HD% 1.0 2.13286153846 6.35193846154 31 31 A 27 TYR HD% A 18 ARG HG3 1.0 2.31987692308 7.78572307692 32 32 A 27 TYR HD% A 18 ARG HBy 1.0 2.13420000000 6.36220000000 33 33 A 18 ARG HBx A 27 TYR HD% 1.0 2.28237692308 7.49822307692 34 34 A 27 TYR HD% A 29 PHE HB2 1.0 2.09383846154 6.05276153846 35 35 A 29 PHE HB2 A 27 TYR HE% 1.0 2.14310769231 6.43049230769 36 36 A 27 TYR HD% A 29 PHE HB3 1.0 2.18794615385 6.77425384615 37 37 A 27 TYR HE% A 29 PHE HB3 1.0 2.16108461538 6.56831538462 38 38 A 29 PHE HA A 27 TYR HE% 1.0 2.23553076923 7.13906923077 39 39 A 27 TYR HE% A 36 SER HBy 1.0 2.14656923077 6.45703076923 40 40 A 27 TYR HD% A 36 SER HBy 1.0 2.10551538462 6.14228461538 41 41 A 27 TYR HE% A 36 SER HBx 1.0 2.13560769231 6.37299230769 42 42 A 27 TYR HD% A 36 SER HBx 1.0 2.16249230769 6.57910769231 43 43 A 36 SER HA A 29 PHE HB2 1.0 2.19468461538 6.82591538462 44 44 A 27 TYR HD% A 26 VAL HA 1.0 2.13498461538 6.36821538462 45 45 A 27 TYR HE% A 26 VAL HA 1.0 2.19216923077 6.80663076923 46 46 A 36 SER HA A 29 PHE HD% 1.0 2.26756153846 7.38463846154 47 47 A 29 PHE HD% A 27 TYR HE% 1.0 2.18153076923 6.72506923077 48 48 A 29 PHE HD% A 31 HIS HA 1.0 2.19969230769 6.86430769231 49 49 A 28 TYR HD% A 17 LYS HE2 1.0 2.04207692308 5.65592307692 50 50 A 28 TYR HE% A 17 LYS HE2 1.0 2.09263846154 6.04356153846 51 51 A 28 TYR HD% A 17 LYS HGx 1.0 2.06063076923 5.79816923077 52 52 A 28 TYR HD% A 17 LYS HB3 1.0 2.33503846154 7.90196153846 53 53 A 28 TYR HD% A 17 LYS HB2 1.0 2.16477692308 6.59662307692 54 54 A 28 TYR HE% A 17 LYS HB2 1.0 2.18757692308 6.77142307692 55 55 A 28 TYR HE% A 17 LYS HB3 1.0 2.17075384615 6.64244615385 56 56 A 28 TYR HE% A 17 LYS HGx 1.0 2.06967692308 5.86752307692 57 57 A 30 ASN HBx A 15 TRP HH2 1.0 2.11317692308 6.20102307692 58 58 A 30 ASN HBx A 15 TRP HZ2 1.0 2.19576923077 6.83423076923 59 59 A 30 ASN HBx A 15 TRP HE3 1.0 2.19770769231 6.84909230769 60 60 A 30 ASN HBx A 15 TRP HZ3 1.0 2.19798461538 6.85121538462 61 61 A 15 TRP HH2 A 41 PRO HGx 1.0 2.13844615385 6.39475384615 62 62 A 15 TRP HZ2 A 41 PRO HGx 1.0 2.14530000000 6.44730000000 63 63 A 15 TRP HZ3 A 41 PRO HGx 1.0 2.17412307692 6.66827692308 64 64 A 15 TRP HZ2 A 41 PRO HGy 1.0 2.19073846154 6.79566153846 65 65 A 15 TRP HD1 A 41 PRO HGx 1.0 2.29230000000 7.57430000000 66 66 A 28 TYR HD% A 41 PRO HGx 1.0 2.23075384615 7.10244615385 67 67 A 41 PRO HGx A 37 GLN HE22 1.0 2.18870769231 6.78009230769 68 68 A 41 PRO HGx A 37 GLN HE21 1.0 2.39709230769 8.37770769231 69 69 A 15 TRP HD1 A 41 PRO HGy 1.0 2.23710000000 7.15110000000 70 70 A 28 TYR HD% A 41 PRO HGy 1.0 2.25087692308 7.25672307692 71 71 A 15 TRP HD1 A 41 PRO HBx 1.0 2.14068461538 6.41191538462 72 72 A 15 TRP HH2 A 41 PRO HBx 1.0 2.10140769231 6.11079230769 73 73 A 15 TRP HD1 A 41 PRO HBy 1.0 2.16791538462 6.62068461538 74 74 A 15 TRP HD1 A 11 LEU HD1% 1.0 2.21829230769 7.00690769231 75 75 A 15 TRP HH2 A 41 PRO HBy 1.0 2.22807692308 7.08192307692 76 76 A 15 TRP HE3 A 35 ALA HB% 1.0 2.24933076923 7.24486923077 77 77 A 28 TYR HE% A 11 LEU HBy 1.0 2.28551538462 7.52228461538 78 78 A 41 PRO HDx A 28 TYR HD% 1.0 2.23033846154 7.09926153846 79 79 A 40 ARG HA A 28 TYR HE% 1.0 2.12529230769 6.29390769231 80 80 A 40 ARG HA A 28 TYR HD% 1.0 2.12400000000 6.28400000000 81 81 A 41 PRO HDy A 28 TYR HE% 1.0 2.16913846154 6.63006153846 82 82 A 41 PRO HDy A 28 TYR HD% 1.0 2.26583076923 7.37136923077 83 83 A 28 TYR HD% A 40 ARG HGy 1.0 2.11638461538 6.22561538462 84 84 A 28 TYR HE% A 40 ARG HGy 1.0 2.25281538462 7.27158461538 85 85 A 25 ARG HB3 A 38 TRP HH2 1.0 2.14497692308 6.44482307692 86 86 A 25 ARG HB3 A 38 TRP HZ3 1.0 2.25339230769 7.27600769231 87 87 A 38 TRP HH2 A 25 ARG HB2 1.0 2.21003076923 6.94356923077 88 88 A 38 TRP HZ3 A 25 ARG HB2 1.0 2.13992307692 6.40607692308 89 89 A 38 TRP HE3 A 25 ARG HB2 1.0 2.25630000000 7.29830000000 90 90 A 38 TRP HE3 A 25 ARG HB3 1.0 2.22036923077 7.02283076923 91 91 A 38 TRP HH2 A 25 ARG HGx 1.0 2.22807692308 7.08192307692 92 92 A 38 TRP HZ3 A 25 ARG HGx 1.0 2.37606923077 8.21653076923 93 93 A 27 TYR HBy A 38 TRP HH2 1.0 2.15970000000 6.55770000000 94 94 A 38 TRP HH2 A 25 ARG HDy 1.0 2.12104615385 6.26135384615 95 95 A 29 PHE HE% A 16 GLU HGy 1.0 2.14467692308 6.44252307692 96 96 A 27 TYR HD% A 16 GLU HGx 1.0 2.16516923077 6.59963076923 97 97 A 29 PHE HE% A 16 GLU HGx 1.0 2.23246153846 7.11553846154 98 98 A 29 PHE HD% A 16 GLU HBy 1.0 2.18695384615 6.76664615385 99 99 A 29 PHE HE% A 16 GLU HBy 1.0 2.15843076923 6.54796923077 100 100 A 15 TRP HD1 A 12 PRO HGx 1.0 2.08629230769 5.99490769231 101 101 A 15 TRP HD1 A 12 PRO HGy 1.0 2.08006153846 5.94713846154 102 102 A 15 TRP HD1 A 12 PRO HBy 1.0 2.10380769231 6.12919230769 103 103 A 28 TYR HE% A 40 ARG HBx 1.0 2.20393846154 6.89686153846 104 104 A 15 TRP HE3 A 12 PRO HBx 1.0 2.18286923077 6.73533076923 105 105 A 29 PHE HE% A 36 SER HBx 1.0 2.15790000000 6.54390000000 106 106 A 29 PHE HE% A 36 SER HBy 1.0 2.18180769231 6.72719230769 107 107 A 15 TRP HD1 A 13 PRO HDy 1.0 2.33845384615 7.92814615385 108 108 A 15 TRP HD1 A 13 PRO HDx 1.0 2.13756923077 6.38803076923 109 109 A 27 TYR HE% A 21 ARG HGx 1.0 2.21711538462 6.99788461538 110 110 A 27 TYR HE% A 21 ARG HBx 1.0 2.32416923077 7.81863076923 111 111 A 11 LEU HD1% A 15 TRP HZ2 1.0 2.25004615385 7.25035384615 112 112 A 11 LEU HD2% A 15 TRP HZ2 1.0 2.24531538462 7.21408461538 113 113 A 15 TRP HZ2 A 11 LEU HG 1.0 2.24582307692 7.21797692308 114 114 A 15 TRP HZ2 A 37 GLN HB2 1.0 2.07057692308 5.87442307692 115 115 A 40 ARG HA A 15 TRP HZ2 1.0 1.97178461538 5.11701538462 116 116 A 41 PRO HDy A 15 TRP HZ2 1.0 2.23442307692 7.13057692308 117 117 A 29 PHE HE% B 176 ILE HG21 1.0 2.32446923077 7.82093076923 118 118 A 28 TYR HE% A 17 LYS HA 1.0 2.12870769231 6.32009230769 119 119 A 38 TRP HH2 A 20 SER HB2 1.0 2.08520769231 5.98659230769 120 120 A 38 TRP HZ3 A 20 SER HB2 1.0 2.08530000000 5.98730000000 121 121 A 27 TYR HD% A 20 SER HB2 1.0 2.10203076923 6.11556923077 122 122 A 27 TYR HD% A 20 SER HA 1.0 2.08204615385 5.96235384615 123 123 A 27 TYR HBy A 38 TRP HA 1.0 1.97547692308 5.14532307692 124 124 A 27 TYR HBx A 38 TRP HA 1.0 1.96656923077 5.07703076923 125 125 A 11 LEU HD1% A 41 PRO HGy 1.0 2.31540000000 7.75140000000 126 126 A 12 PRO HDy A 41 PRO HBx 1.0 2.17347692308 6.66332307692 127 127 A 12 PRO HDy A 41 PRO HGy 1.0 2.18746153846 6.77053846154 128 128 A 12 PRO HDx A 41 PRO HBx 1.0 2.17179230769 6.65040769231 129 129 A 12 PRO HDx A 41 PRO HGy 1.0 2.18573076923 6.75726923077 130 130 A 12 PRO HDx A 41 PRO HGx 1.0 2.14264615385 6.42695384615 131 131 A 12 PRO HDy A 41 PRO HGx 1.0 2.28193846154 7.49486153846 132 132 A 30 ASN HBx A 32 ILE HG1x 1.0 2.11740000000 6.23340000000 133 133 A 30 ASN HBx A 32 ILE HG1y 1.0 2.16062307692 6.56477692308 134 134 A 29 PHE HD% A 16 GLU HGy 1.0 2.12529230769 6.29390769231 135 135 A 15 TRP HD1 A 12 PRO HA 1.0 2.10777692308 6.15962307692 136 136 A 15 TRP HH2 A 35 ALA HB% 1.0 2.34168461538 7.95291538462 137 137 A 15 TRP HD1 A 12 PRO HBx 1.0 2.02114615385 5.49545384615 138 138 A 15 TRP HE3 A 37 GLN HB3 1.0 2.13454615385 6.36485384615 139 139 A 15 TRP HZ2 A 37 GLN HG2 1.0 1.95980769231 5.02519230769 140 140 A 15 TRP HE3 A 37 GLN HG3 1.0 2.11871538462 6.24348461538 141 141 A 15 TRP HE3 A 37 GLN HG2 1.0 2.27773846154 7.46266153846 142 142 A 28 TYR HD% A 17 LYS HA 1.0 2.17253076923 6.65606923077 143 143 A 15 TRP HA A 30 ASN HA 1.0 2.01572307692 5.45387692308 144 144 A 11 LEU HG A 15 TRP HB2 1.0 2.24183076923 7.18736923077 145 145 A 11 LEU HD1% A 15 TRP HB2 1.0 2.26931538462 7.39808461538 146 146 A 11 LEU HD2% A 15 TRP HB2 1.0 2.21760000000 7.00160000000 147 147 A 14 GLY HAx A 32 ILE HG2% 1.0 2.17857692308 6.70242307692 148 148 A 32 ILE HG2% A 14 GLY HAy 1.0 2.28163846154 7.49256153846 149 149 A 15 TRP HE3 A 41 PRO HBx 1.0 2.25281538462 7.27158461538 150 150 A 28 TYR HA A 15 TRP HZ2 1.0 2.16099230769 6.56760769231 151 151 A 38 TRP HH2 A 25 ARG HDx 1.0 2.15471538462 6.51948461538 152 152 A 28 TYR HE% A 40 ARG HGx 1.0 2.17530000000 6.67730000000 153 153 A 28 TYR HD% A 40 ARG HGx 1.0 2.36434615385 8.12665384615 154 154 A 38 TRP HZ3 A 20 SER HA 1.0 2.17412307692 6.66827692308 155 155 A 38 TRP HH2 A 20 SER HA 1.0 2.13426923077 6.36273076923 156 156 A 38 TRP HH2 A 20 SER HB3 1.0 2.06626153846 5.84133846154 157 157 A 38 TRP HZ3 A 20 SER HB3 1.0 2.13844615385 6.39475384615 158 158 A 27 TYR HD% A 20 SER HB3 1.0 2.11615384615 6.22384615385 159 159 A 20 SER HB3 A 38 TRP HZ2 1.0 2.12550000000 6.29550000000 160 160 A 38 TRP HH2 A 23 SER HBx 1.0 2.14998461538 6.48321538462 161 161 A 38 TRP HH2 A 23 SER HBy 1.0 2.16062307692 6.56477692308 162 162 A 38 TRP HH2 A 22 SER HBy 1.0 2.16833076923 6.62386923077 163 163 A 38 TRP HZ2 A 22 SER HBy 1.0 2.13094615385 6.33725384615 164 164 A 38 TRP HZ2 A 23 SER HBy 1.0 2.12586923077 6.29833076923 165 165 A 15 TRP HD1 A 11 LEU HG 1.0 2.14560000000 6.44960000000 166 166 A 26 VAL HA A 19 MET HA 1.0 2.00406923077 5.36453076923 167 167 A 29 PHE HZ A 31 HIS HA 1.0 2.16173076923 6.57326923077 168 168 A 34 ASN HA A 29 PHE HD% 1.0 2.14973076923 6.48126923077 169 169 A 34 ASN HA A 29 PHE HE% 1.0 2.21520000000 6.98320000000 170 170 A 29 PHE HE% A 31 HIS HA 1.0 2.23442307692 7.13057692308 171 171 A 29 PHE HD% A 31 HIS HBx 1.0 2.16516923077 6.59963076923 172 172 A 29 PHE HZ A 31 HIS HBx 1.0 2.24790000000 7.23390000000 173 173 A 14 GLY HAy A 31 HIS HD1 1.0 2.10551538462 6.14228461538 174 174 A 38 TRP HE3 A 20 SER HB3 1.0 2.18238461538 6.73161538462 175 175 A 38 TRP HE3 A 25 ARG HDx 1.0 2.37606923077 8.21653076923 176 176 A 38 TRP HE3 A 25 ARG HDy 1.0 2.17737692308 6.69322307692 177 177 A 27 TYR HE% A 20 SER HA 1.0 2.08340769231 5.97279230769 178 178 A 28 TYR HA A 17 LYS HA 1.0 2.06716153846 5.84823846154 179 179 A 15 TRP HA A 30 ASN HA 1.0 2.06416153846 5.82523846154 180 180 A 27 TYR HBx A 38 TRP HA 1.0 2.04980769231 5.71519230769 181 181 A 27 TYR HBy A 38 TRP HA 1.0 2.04212307692 5.65627692308 182 182 A 36 SER HA A 29 PHE HB3 1.0 2.08774615385 6.00605384615 183 183 A 41 PRO HDx A 28 TYR HE% 1.0 2.33395384615 7.89364615385 184 184 A 32 ILE HD1% A 31 HIS HD2 1.0 2.24363076923 7.20116923077 185 185 A 32 ILE HG2% A 31 HIS HD2 1.0 2.18836153846 6.77743846154 186 186 A 32 ILE HG1x A 31 HIS HD2 1.0 2.28833076923 7.54386923077 187 187 A 32 ILE HG1y A 31 HIS HD2 1.0 2.24134615385 7.18365384615 188 188 A 31 HIS HD2 A 32 ILE HA 1.0 2.23620000000 7.14420000000 189 189 A 15 TRP HZ3 A 35 ALA HB% 1.0 2.19057692308 6.79442307692 190 190 A 25 ARG HDx A 38 TRP HZ2 1.0 2.27693076923 7.45646923077 191 191 A 17 LYS HE2 A 19 MET HGy 1.0 2.20026923077 6.86873076923 192 192 A 17 LYS HE2 A 19 MET HGx 1.0 2.14800000000 6.46800000000 193 193 A 29 PHE HD% A 31 HIS HD1 1.0 2.17036153846 6.63943846154 194 194 A 29 PHE HE% A 31 HIS HD1 1.0 2.00109230769 5.34170769231 195 195 A 11 LEU HD2% A 15 TRP HD1 1.0 2.17368461538 6.66491538462 196 196 A 28 TYR HD% A 17 LYS HDx 1.0 2.15889230769 6.55150769231 197 197 A 28 TYR HE% A 17 LYS HDx 1.0 2.13203076923 6.34556923077 198 198 A 38 TRP HZ3 A 25 ARG HGy 1.0 2.16913846154 6.63006153846 199 199 A 17 LYS HE2 A 26 VAL HG2% 1.0 2.07546923077 5.91193076923 200 200 A 17 LYS HE2 A 26 VAL HG1% 1.0 2.18582307692 6.75797692308 stop_ save_