data_nef_c18980_2m3z 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 1A1T PDB 1F6U 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 23 HIS NE2 2 1 ZN ZN 1 44 HIS NE2 2 2 ZN ZN 1 39 CYS SG 2 2 ZN ZN 1 36 CYS SG 2 2 ZN ZN 1 15 CYS SG 2 1 ZN ZN 1 18 CYS SG 2 1 ZN ZN 1 28 CYS SG 2 1 ZN ZN 1 49 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 ILE start . . 2 A 2 GLN middle . . 3 A 3 LYS middle . . 4 A 4 GLY middle . false 5 A 5 ASN middle . . 6 A 6 PHE middle . . 7 A 7 ARG middle . . 8 A 8 ASN middle . . 9 A 9 GLN middle . . 10 A 10 ARG middle . . 11 A 11 LYS middle . . 12 A 12 THR middle . . 13 A 13 VAL middle . . 14 A 14 LYS middle . . 15 A 15 CYS middle -HG . 16 A 16 PHE middle . . 17 A 17 ASN middle . . 18 A 18 CYS middle -HG . 19 A 19 GLY middle . false 20 A 20 LYS middle . . 21 A 21 GLU middle . . 22 A 22 GLY middle . false 23 A 23 HIS middle -HE2 . 24 A 24 ILE middle . . 25 A 25 ALA middle . . 26 A 26 LYS middle . . 27 A 27 ASN middle . . 28 A 28 CYS middle -HG . 29 A 29 ARG middle . . 30 A 30 ALA middle . . 31 A 31 PRO middle . false 32 A 32 ARG middle . . 33 A 33 LYS middle . . 34 A 34 LYS middle . . 35 A 35 GLY middle . false 36 A 36 CYS middle -HG . 37 A 37 TRP middle . . 38 A 38 LYS middle . . 39 A 39 CYS middle -HG . 40 A 40 GLY middle . false 41 A 41 LYS middle . . 42 A 42 GLU middle . . 43 A 43 GLY middle . false 44 A 44 HIS middle -HE2 . 45 A 45 GLN middle . . 46 A 46 MET middle . . 47 A 47 LYS middle . . 48 A 48 ASP middle . . 49 A 49 CYS middle -HG . 50 A 50 THR middle . . 51 A 51 GLU middle . . 52 A 52 ARG middle . . 53 A 53 GLN middle . . 54 A 54 ALA middle . . 55 A 55 ASN end . . 56 C 1 ZN . . . 57 C 2 ZN . . . 58 B 1 1HF . . . 59 B 2 1HF . . . 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 ILE HA H 1 4.126 0.02 A 1 ILE HB H 1 1.769 0.02 A 1 ILE HD1% H 1 0.813 0.02 A 1 ILE HG1x H 1 1.151 0.02 A 1 ILE HG1y H 1 1.431 0.02 A 1 ILE HG2% H 1 0.857 0.02 A 1 ILE CA C 13 58.309 0.3 A 1 ILE CB C 13 35.811 0.3 A 1 ILE CG1 C 13 24.492 0.3 A 1 ILE CG2 C 13 14.397 0.3 A 2 GLN H H 1 8.503 0.02 A 2 GLN HA H 1 4.309 0.02 A 2 GLN HBx H 1 1.921 0.02 A 2 GLN HBy H 1 1.921 0.02 A 2 GLN HGx H 1 2.293 0.02 A 2 GLN HGy H 1 2.293 0.02 A 2 GLN CA C 13 52.755 0.3 A 2 GLN CB C 13 26.728 0.3 A 2 GLN N N 15 125.073 0.3 A 3 LYS H H 1 8.414 0.02 A 3 LYS HA H 1 4.271 0.02 A 3 LYS HBx H 1 1.798 0.02 A 3 LYS HBy H 1 1.798 0.02 A 3 LYS HDx H 1 1.698 0.02 A 3 LYS HDy H 1 1.698 0.02 A 3 LYS HEx H 1 2.927 0.02 A 3 LYS HEy H 1 2.927 0.02 A 3 LYS HGx H 1 1.399 0.02 A 3 LYS HGy H 1 1.399 0.02 A 3 LYS CA C 13 53.658 0.3 A 3 LYS CB C 13 30.442 0.3 A 3 LYS CG C 13 21.962 0.3 A 3 LYS N N 15 123.202 0.3 A 4 GLY H H 1 8.394 0.02 A 4 GLY HA2 H 1 3.855 0.02 A 4 GLY HA3 H 1 3.855 0.02 A 4 GLY CA C 13 42.455 0.3 A 4 GLY N N 15 109.574 0.3 A 5 ASN H H 1 8.240 0.02 A 5 ASN HA H 1 4.625 0.02 A 5 ASN HBy H 1 2.705 0.02 A 5 ASN HBx H 1 2.615 0.02 A 5 ASN HD2x H 1 6.763 0.02 A 5 ASN HD2y H 1 7.458 0.02 A 5 ASN CA C 13 50.146 0.3 A 5 ASN CB C 13 36.059 0.3 A 5 ASN N N 15 118.311 0.3 A 5 ASN ND2 N 15 112.514 0.3 A 6 PHE H H 1 8.164 0.02 A 6 PHE HA H 1 4.541 0.02 A 6 PHE HBy H 1 3.111 0.02 A 6 PHE HBx H 1 2.979 0.02 A 6 PHE HDx H 1 7.177 0.02 A 6 PHE HDy H 1 7.177 0.02 A 6 PHE HEx H 1 7.284 0.02 A 6 PHE HEy H 1 7.284 0.02 A 6 PHE HZ H 1 7.243 0.02 A 6 PHE CA C 13 55.112 0.3 A 6 PHE CB C 13 36.457 0.3 A 6 PHE N N 15 120.460 0.3 A 7 ARG H H 1 8.184 0.02 A 7 ARG HA H 1 4.193 0.02 A 7 ARG HBx H 1 1.688 0.02 A 7 ARG HBy H 1 1.688 0.02 A 7 ARG HDx H 1 3.114 0.02 A 7 ARG HDy H 1 3.114 0.02 A 7 ARG HGx H 1 1.552 0.02 A 7 ARG HGy H 1 1.552 0.02 A 7 ARG CA C 13 53.586 0.3 A 7 ARG CB C 13 27.788 0.3 A 7 ARG CD C 13 42.345 0.3 A 7 ARG CG C 13 24.293 0.3 A 7 ARG N N 15 121.606 0.3 A 8 ASN H H 1 8.294 0.02 A 8 ASN HA H 1 4.570 0.02 A 8 ASN HBy H 1 2.776 0.02 A 8 ASN HBx H 1 2.682 0.02 A 8 ASN HD2x H 1 6.881 0.02 A 8 ASN HD2y H 1 7.587 0.02 A 8 ASN CA C 13 50.518 0.3 A 8 ASN CB C 13 35.894 0.3 A 8 ASN N N 15 118.773 0.3 A 8 ASN ND2 N 15 112.443 0.3 A 9 GLN H H 1 8.218 0.02 A 9 GLN HA H 1 4.245 0.02 A 9 GLN HBy H 1 2.044 0.02 A 9 GLN HBx H 1 1.918 0.02 A 9 GLN HE2x H 1 6.804 0.02 A 9 GLN HE2y H 1 7.455 0.02 A 9 GLN HGx H 1 2.290 0.02 A 9 GLN HGy H 1 2.290 0.02 A 9 GLN CA C 13 53.202 0.3 A 9 GLN CB C 13 26.688 0.3 A 9 GLN CG C 13 31.267 0.3 A 9 GLN N N 15 120.522 0.3 A 9 GLN NE2 N 15 112.060 0.3 A 10 ARG H H 1 8.273 0.02 A 10 ARG HA H 1 4.244 0.02 A 10 ARG HBy H 1 1.764 0.02 A 10 ARG HBx H 1 1.677 0.02 A 10 ARG HDx H 1 3.131 0.02 A 10 ARG HDy H 1 3.131 0.02 A 10 ARG HGx H 1 1.546 0.02 A 10 ARG HGy H 1 1.546 0.02 A 10 ARG CA C 13 53.208 0.3 A 10 ARG CB C 13 27.939 0.3 A 10 ARG CD C 13 40.408 0.3 A 10 ARG CG C 13 24.349 0.3 A 10 ARG N N 15 121.826 0.3 A 11 LYS H H 1 8.299 0.02 A 11 LYS HA H 1 4.263 0.02 A 11 LYS HBx H 1 1.730 0.02 A 11 LYS HBy H 1 1.730 0.02 A 11 LYS HDx H 1 1.585 0.02 A 11 LYS HDy H 1 1.585 0.02 A 11 LYS HEx H 1 2.915 0.02 A 11 LYS HEy H 1 2.915 0.02 A 11 LYS HGx H 1 1.345 0.02 A 11 LYS HGy H 1 1.345 0.02 A 11 LYS CA C 13 53.578 0.3 A 11 LYS CB C 13 30.323 0.3 A 11 LYS CE C 13 39.242 0.3 A 11 LYS CG C 13 21.890 0.3 A 11 LYS N N 15 122.737 0.3 A 12 THR H H 1 8.088 0.02 A 12 THR HA H 1 4.254 0.02 A 12 THR HB H 1 3.990 0.02 A 12 THR HG2% H 1 1.064 0.02 A 12 THR CA C 13 58.726 0.3 A 12 THR CB C 13 66.915 0.3 A 12 THR CG2 C 13 18.619 0.3 A 12 THR N N 15 116.442 0.3 A 13 VAL H H 1 8.209 0.02 A 13 VAL HA H 1 4.021 0.02 A 13 VAL HB H 1 1.558 0.02 A 13 VAL HG1% H 1 0.349 0.02 A 13 VAL HG2% H 1 0.297 0.02 A 13 VAL CA C 13 58.497 0.3 A 13 VAL CB C 13 30.485 0.3 A 13 VAL CG1 C 13 16.693 0.3 A 13 VAL CG2 C 13 17.711 0.3 A 13 VAL N N 15 122.626 0.3 A 14 LYS H H 1 8.012 0.02 A 14 LYS HA H 1 4.412 0.02 A 14 LYS HB2 H 1 1.482 0.02 A 14 LYS HB3 H 1 1.411 0.02 A 14 LYS HDx H 1 1.594 0.02 A 14 LYS HDy H 1 1.594 0.02 A 14 LYS HEx H 1 2.905 0.02 A 14 LYS HEy H 1 2.905 0.02 A 14 LYS HG2 H 1 1.143 0.02 A 14 LYS HG3 H 1 1.014 0.02 A 14 LYS CA C 13 51.599 0.3 A 14 LYS CB C 13 31.540 0.3 A 14 LYS CD C 13 26.433 0.3 A 14 LYS CG C 13 22.320 0.3 A 14 LYS N N 15 123.504 0.3 A 15 CYS H H 1 8.256 0.02 A 15 CYS HA H 1 4.215 0.02 A 15 CYS HB2 H 1 2.672 0.02 A 15 CYS HB3 H 1 1.761 0.02 A 15 CYS CA C 13 56.967 0.3 A 15 CYS CB C 13 27.829 0.3 A 15 CYS N N 15 129.731 0.3 A 16 PHE H H 1 9.299 0.02 A 16 PHE HA H 1 4.615 0.02 A 16 PHE HB2 H 1 3.513 0.02 A 16 PHE HB3 H 1 2.589 0.02 A 16 PHE HDx H 1 6.652 0.02 A 16 PHE HDy H 1 6.652 0.02 A 16 PHE HEx H 1 7.155 0.02 A 16 PHE HEy H 1 7.155 0.02 A 16 PHE HZ H 1 6.929 0.02 A 16 PHE CA C 13 56.137 0.3 A 16 PHE CB C 13 37.103 0.3 A 16 PHE N N 15 128.836 0.3 A 17 ASN H H 1 9.156 0.02 A 17 ASN HA H 1 3.816 0.02 A 17 ASN HB2 H 1 2.420 0.02 A 17 ASN HB3 H 1 0.799 0.02 A 17 ASN HD21 H 1 7.984 0.02 A 17 ASN HD22 H 1 6.372 0.02 A 17 ASN CA C 13 53.075 0.3 A 17 ASN CB C 13 36.212 0.3 A 17 ASN N N 15 118.280 0.3 A 17 ASN ND2 N 15 115.237 0.3 A 18 CYS H H 1 8.489 0.02 A 18 CYS HA H 1 4.696 0.02 A 18 CYS HB2 H 1 3.168 0.02 A 18 CYS HB3 H 1 2.341 0.02 A 18 CYS CA C 13 56.126 0.3 A 18 CYS CB C 13 29.066 0.3 A 18 CYS N N 15 116.876 0.3 A 19 GLY H H 1 7.703 0.02 A 19 GLY HA2 H 1 4.067 0.02 A 19 GLY HA3 H 1 3.811 0.02 A 19 GLY CA C 13 43.589 0.3 A 19 GLY N N 15 112.394 0.3 A 20 LYS H H 1 8.162 0.02 A 20 LYS HA H 1 4.364 0.02 A 20 LYS HBx H 1 1.820 0.02 A 20 LYS HBy H 1 1.820 0.02 A 20 LYS HDx H 1 1.674 0.02 A 20 LYS HDy H 1 1.674 0.02 A 20 LYS HEx H 1 2.970 0.02 A 20 LYS HEy H 1 2.970 0.02 A 20 LYS HGy H 1 1.554 0.02 A 20 LYS HGx H 1 1.447 0.02 A 20 LYS CA C 13 53.066 0.3 A 20 LYS CB C 13 30.653 0.3 A 20 LYS CD C 13 25.667 0.3 A 20 LYS CE C 13 39.215 0.3 A 20 LYS CG C 13 22.903 0.3 A 20 LYS N N 15 120.951 0.3 A 21 GLU H H 1 8.454 0.02 A 21 GLU HA H 1 4.602 0.02 A 21 GLU HBx H 1 1.837 0.02 A 21 GLU HBy H 1 1.837 0.02 A 21 GLU HGy H 1 2.198 0.02 A 21 GLU HGx H 1 2.065 0.02 A 21 GLU CA C 13 53.327 0.3 A 21 GLU CB C 13 28.049 0.3 A 21 GLU CG C 13 35.622 0.3 A 21 GLU N N 15 119.095 0.3 A 22 GLY H H 1 8.639 0.02 A 22 GLY HA2 H 1 4.371 0.02 A 22 GLY HA3 H 1 3.652 0.02 A 22 GLY CA C 13 42.965 0.3 A 22 GLY N N 15 107.727 0.3 A 23 HIS H H 1 6.992 0.02 A 23 HIS HA H 1 4.613 0.02 A 23 HIS HBx H 1 3.036 0.02 A 23 HIS HBy H 1 3.036 0.02 A 23 HIS HD2 H 1 6.722 0.02 A 23 HIS HE1 H 1 7.300 0.02 A 23 HIS CA C 13 52.409 0.3 A 23 HIS CB C 13 27.389 0.3 A 23 HIS N N 15 113.019 0.3 A 24 ILE H H 1 7.578 0.02 A 24 ILE HA H 1 4.313 0.02 A 24 ILE HB H 1 1.726 0.02 A 24 ILE HD1% H 1 0.180 0.02 A 24 ILE HG12 H 1 0.921 0.02 A 24 ILE HG13 H 1 0.846 0.02 A 24 ILE HG2% H 1 0.499 0.02 A 24 ILE CA C 13 56.515 0.3 A 24 ILE CB C 13 38.320 0.3 A 24 ILE CD1 C 13 11.364 0.3 A 24 ILE CG1 C 13 22.720 0.3 A 24 ILE CG2 C 13 15.155 0.3 A 24 ILE N N 15 105.931 0.3 A 25 ALA H H 1 8.944 0.02 A 25 ALA HA H 1 4.521 0.02 A 25 ALA HB% H 1 1.810 0.02 A 25 ALA CA C 13 53.097 0.3 A 25 ALA CB C 13 16.460 0.3 A 25 ALA N N 15 122.665 0.3 A 26 LYS H H 1 6.448 0.02 A 26 LYS HA H 1 2.735 0.02 A 26 LYS HBx H 1 1.074 0.02 A 26 LYS HBy H 1 1.074 0.02 A 26 LYS HDx H 1 1.389 0.02 A 26 LYS HDy H 1 1.389 0.02 A 26 LYS HEx H 1 2.827 0.02 A 26 LYS HEy H 1 2.827 0.02 A 26 LYS HGx H 1 0.954 0.02 A 26 LYS HGy H 1 0.954 0.02 A 26 LYS CA C 13 55.268 0.3 A 26 LYS CB C 13 31.527 0.3 A 26 LYS CD C 13 30.343 0.3 A 26 LYS CE C 13 39.231 0.3 A 26 LYS CG C 13 21.786 0.3 A 26 LYS N N 15 117.327 0.3 A 27 ASN H H 1 7.536 0.02 A 27 ASN HA H 1 4.844 0.02 A 27 ASN HB2 H 1 2.943 0.02 A 27 ASN HB3 H 1 2.288 0.02 A 27 ASN HD21 H 1 6.919 0.02 A 27 ASN HD22 H 1 7.765 0.02 A 27 ASN CA C 13 48.766 0.3 A 27 ASN CB C 13 37.372 0.3 A 27 ASN N N 15 111.844 0.3 A 27 ASN ND2 N 15 112.911 0.3 A 28 CYS H H 1 7.195 0.02 A 28 CYS HA H 1 3.590 0.02 A 28 CYS HB2 H 1 3.164 0.02 A 28 CYS HB3 H 1 2.899 0.02 A 28 CYS CA C 13 58.923 0.3 A 28 CYS CB C 13 28.111 0.3 A 28 CYS N N 15 122.908 0.3 A 29 ARG H H 1 8.885 0.02 A 29 ARG HA H 1 4.446 0.02 A 29 ARG HBy H 1 1.983 0.02 A 29 ARG HBx H 1 1.519 0.02 A 29 ARG HDx H 1 3.039 0.02 A 29 ARG HDy H 1 3.039 0.02 A 29 ARG HGx H 1 1.427 0.02 A 29 ARG HGy H 1 1.427 0.02 A 29 ARG CA C 13 52.480 0.3 A 29 ARG CB C 13 27.564 0.3 A 29 ARG CG C 13 24.170 0.3 A 29 ARG N N 15 129.416 0.3 A 30 ALA H H 1 8.744 0.02 A 30 ALA HA H 1 4.475 0.02 A 30 ALA HB% H 1 1.271 0.02 A 30 ALA CA C 13 48.220 0.3 A 30 ALA CB C 13 15.112 0.3 A 30 ALA N N 15 127.959 0.3 A 31 PRO HA H 1 4.238 0.02 A 31 PRO HB2 H 1 2.269 0.02 A 31 PRO HB3 H 1 1.666 0.02 A 31 PRO HD2 H 1 3.724 0.02 A 31 PRO HD3 H 1 3.440 0.02 A 31 PRO HG2 H 1 2.015 0.02 A 31 PRO HG3 H 1 1.938 0.02 A 31 PRO CA C 13 60.017 0.3 A 31 PRO CB C 13 28.726 0.3 A 31 PRO CD C 13 47.182 0.3 A 31 PRO CG C 13 27.879 0.3 A 32 ARG H H 1 8.740 0.02 A 32 ARG HA H 1 4.391 0.02 A 32 ARG HB2 H 1 1.899 0.02 A 32 ARG HB3 H 1 1.583 0.02 A 32 ARG HD2 H 1 3.204 0.02 A 32 ARG HD3 H 1 2.952 0.02 A 32 ARG HGx H 1 1.934 0.02 A 32 ARG HGy H 1 1.934 0.02 A 32 ARG CA C 13 53.336 0.3 A 32 ARG CB C 13 27.689 0.3 A 32 ARG CD C 13 40.875 0.3 A 32 ARG CG C 13 25.203 0.3 A 32 ARG N N 15 123.635 0.3 A 33 LYS H H 1 8.868 0.02 A 33 LYS HA H 1 4.339 0.02 A 33 LYS HBx H 1 1.929 0.02 A 33 LYS HBy H 1 1.929 0.02 A 33 LYS HDx H 1 1.741 0.02 A 33 LYS HDy H 1 1.741 0.02 A 33 LYS HEx H 1 3.211 0.02 A 33 LYS HEy H 1 3.211 0.02 A 33 LYS HGy H 1 1.666 0.02 A 33 LYS HGx H 1 1.527 0.02 A 33 LYS CA C 13 53.372 0.3 A 33 LYS CB C 13 30.439 0.3 A 33 LYS CD C 13 27.436 0.3 A 33 LYS CE C 13 39.596 0.3 A 33 LYS CG C 13 21.910 0.3 A 33 LYS N N 15 127.972 0.3 A 34 LYS H H 1 8.300 0.02 A 34 LYS HA H 1 4.393 0.02 A 34 LYS HBx H 1 1.802 0.02 A 34 LYS HBy H 1 1.802 0.02 A 34 LYS HDx H 1 1.826 0.02 A 34 LYS HDy H 1 1.826 0.02 A 34 LYS HEx H 1 2.981 0.02 A 34 LYS HEy H 1 2.981 0.02 A 34 LYS HGx H 1 1.476 0.02 A 34 LYS HGy H 1 1.476 0.02 A 34 LYS CA C 13 54.385 0.3 A 34 LYS CB C 13 30.651 0.3 A 34 LYS CD C 13 26.689 0.3 A 34 LYS CG C 13 22.226 0.3 A 34 LYS N N 15 120.697 0.3 A 35 GLY H H 1 8.518 0.02 A 35 GLY HA2 H 1 3.797 0.02 A 35 GLY HA3 H 1 3.415 0.02 A 35 GLY CA C 13 40.646 0.3 A 35 GLY N N 15 109.787 0.3 A 36 CYS H H 1 8.249 0.02 A 36 CYS HA H 1 3.994 0.02 A 36 CYS HB2 H 1 2.724 0.02 A 36 CYS HB3 H 1 1.762 0.02 A 36 CYS CA C 13 57.328 0.3 A 36 CYS CB C 13 27.259 0.3 A 36 CYS N N 15 122.657 0.3 A 37 TRP H H 1 9.218 0.02 A 37 TRP HA H 1 4.763 0.02 A 37 TRP HBx H 1 3.367 0.02 A 37 TRP HBy H 1 3.367 0.02 A 37 TRP HD1 H 1 7.118 0.02 A 37 TRP HE1 H 1 10.298 0.02 A 37 TRP HE3 H 1 7.548 0.02 A 37 TRP HH2 H 1 6.436 0.02 A 37 TRP HZ2 H 1 6.045 0.02 A 37 TRP HZ3 H 1 6.683 0.02 A 37 TRP CA C 13 54.955 0.3 A 37 TRP CB C 13 26.102 0.3 A 37 TRP N N 15 132.646 0.3 A 37 TRP NE1 N 15 131.218 0.3 A 38 LYS H H 1 9.626 0.02 A 38 LYS HA H 1 4.200 0.02 A 38 LYS HB2 H 1 1.935 0.02 A 38 LYS HB3 H 1 1.617 0.02 A 38 LYS HDx H 1 1.498 0.02 A 38 LYS HDy H 1 1.498 0.02 A 38 LYS HEx H 1 2.724 0.02 A 38 LYS HEy H 1 2.724 0.02 A 38 LYS HG2 H 1 1.090 0.02 A 38 LYS HG3 H 1 0.938 0.02 A 38 LYS CA C 13 55.916 0.3 A 38 LYS CB C 13 31.288 0.3 A 38 LYS CD C 13 26.505 0.3 A 38 LYS CG C 13 23.201 0.3 A 38 LYS N N 15 121.676 0.3 A 39 CYS H H 1 8.612 0.02 A 39 CYS HA H 1 4.929 0.02 A 39 CYS HB2 H 1 3.205 0.02 A 39 CYS HB3 H 1 2.451 0.02 A 39 CYS CA C 13 56.058 0.3 A 39 CYS CB C 13 29.705 0.3 A 39 CYS N N 15 117.746 0.3 A 40 GLY H H 1 8.050 0.02 A 40 GLY HA2 H 1 4.218 0.02 A 40 GLY HA3 H 1 3.953 0.02 A 40 GLY CA C 13 43.398 0.3 A 40 GLY N N 15 113.510 0.3 A 41 LYS H H 1 8.340 0.02 A 41 LYS HA H 1 4.296 0.02 A 41 LYS HBx H 1 1.752 0.02 A 41 LYS HBy H 1 1.752 0.02 A 41 LYS HDx H 1 1.600 0.02 A 41 LYS HDy H 1 1.600 0.02 A 41 LYS HEx H 1 3.054 0.02 A 41 LYS HEy H 1 3.054 0.02 A 41 LYS HGx H 1 1.476 0.02 A 41 LYS HGy H 1 1.476 0.02 A 41 LYS CA C 13 54.068 0.3 A 41 LYS CB C 13 30.765 0.3 A 41 LYS CD C 13 30.770 0.3 A 41 LYS CE C 13 40.196 0.3 A 41 LYS CG C 13 23.157 0.3 A 41 LYS N N 15 121.911 0.3 A 42 GLU H H 1 8.501 0.02 A 42 GLU HA H 1 4.116 0.02 A 42 GLU HB2 H 1 1.923 0.02 A 42 GLU HB3 H 1 1.828 0.02 A 42 GLU HG2 H 1 2.254 0.02 A 42 GLU HG3 H 1 2.057 0.02 A 42 GLU CA C 13 54.054 0.3 A 42 GLU CB C 13 27.786 0.3 A 42 GLU CG C 13 34.023 0.3 A 42 GLU N N 15 119.418 0.3 A 43 GLY H H 1 8.719 0.02 A 43 GLY HA2 H 1 4.315 0.02 A 43 GLY HA3 H 1 3.562 0.02 A 43 GLY CA C 13 42.789 0.3 A 43 GLY N N 15 107.782 0.3 A 44 HIS H H 1 6.810 0.02 A 44 HIS HA H 1 4.587 0.02 A 44 HIS HBx H 1 3.071 0.02 A 44 HIS HBy H 1 3.071 0.02 A 44 HIS HD2 H 1 6.675 0.02 A 44 HIS HE1 H 1 7.353 0.02 A 44 HIS CA C 13 52.665 0.3 A 44 HIS CB C 13 27.416 0.3 A 44 HIS N N 15 111.284 0.3 A 45 GLN H H 1 8.781 0.02 A 45 GLN HA H 1 3.773 0.02 A 45 GLN HBx H 1 1.499 0.02 A 45 GLN HBy H 1 1.499 0.02 A 45 GLN HE21 H 1 6.730 0.02 A 45 GLN HE22 H 1 6.567 0.02 A 45 GLN HG2 H 1 1.754 0.02 A 45 GLN HG3 H 1 1.340 0.02 A 45 GLN CA C 13 51.454 0.3 A 45 GLN CB C 13 28.905 0.3 A 45 GLN CG C 13 31.406 0.3 A 45 GLN N N 15 117.297 0.3 A 45 GLN NE2 N 15 110.974 0.3 A 46 MET H H 1 9.008 0.02 A 46 MET HA H 1 4.820 0.02 A 46 MET HB2 H 1 2.515 0.02 A 46 MET HB3 H 1 2.015 0.02 A 46 MET HE% H 1 2.310 0.02 A 46 MET HGx H 1 2.526 0.02 A 46 MET HGy H 1 2.526 0.02 A 46 MET CA C 13 57.542 0.3 A 46 MET CB C 13 29.549 0.3 A 46 MET CE C 13 15.827 0.3 A 46 MET CG C 13 30.561 0.3 A 46 MET N N 15 117.926 0.3 A 47 LYS H H 1 6.430 0.02 A 47 LYS HA H 1 3.448 0.02 A 47 LYS HB2 H 1 1.346 0.02 A 47 LYS HB3 H 1 0.851 0.02 A 47 LYS HD2 H 1 1.300 0.02 A 47 LYS HD3 H 1 1.210 0.02 A 47 LYS HEy H 1 2.770 0.02 A 47 LYS HEx H 1 2.688 0.02 A 47 LYS HG2 H 1 0.940 0.02 A 47 LYS HG3 H 1 0.671 0.02 A 47 LYS CA C 13 54.988 0.3 A 47 LYS CB C 13 28.285 0.3 A 47 LYS CD C 13 26.110 0.3 A 47 LYS CG C 13 20.436 0.3 A 47 LYS N N 15 117.631 0.3 A 48 ASP H H 1 7.560 0.02 A 48 ASP HA H 1 4.780 0.02 A 48 ASP HB2 H 1 2.812 0.02 A 48 ASP HB3 H 1 2.273 0.02 A 48 ASP CA C 13 50.600 0.3 A 48 ASP CB C 13 40.029 0.3 A 48 ASP N N 15 117.363 0.3 A 49 CYS H H 1 7.091 0.02 A 49 CYS HA H 1 3.682 0.02 A 49 CYS HB2 H 1 3.080 0.02 A 49 CYS HB3 H 1 2.786 0.02 A 49 CYS CA C 13 59.557 0.3 A 49 CYS CB C 13 28.040 0.3 A 49 CYS N N 15 122.910 0.3 A 50 THR H H 1 8.139 0.02 A 50 THR HA H 1 4.293 0.02 A 50 THR HB H 1 4.348 0.02 A 50 THR HG2% H 1 1.023 0.02 A 50 THR CA C 13 58.855 0.3 A 50 THR CB C 13 66.355 0.3 A 50 THR CG2 C 13 18.435 0.3 A 50 THR N N 15 119.675 0.3 A 51 GLU H H 1 8.551 0.02 A 51 GLU HA H 1 4.164 0.02 A 51 GLU HBy H 1 1.993 0.02 A 51 GLU HBx H 1 1.893 0.02 A 51 GLU HGy H 1 2.358 0.02 A 51 GLU HGx H 1 2.194 0.02 A 51 GLU CA C 13 54.061 0.3 A 51 GLU CB C 13 27.130 0.3 A 51 GLU CG C 13 33.369 0.3 A 51 GLU N N 15 124.935 0.3 A 52 ARG H H 1 8.287 0.02 A 52 ARG HA H 1 4.248 0.02 A 52 ARG HBx H 1 1.717 0.02 A 52 ARG HBy H 1 1.717 0.02 A 52 ARG HDx H 1 3.100 0.02 A 52 ARG HDy H 1 3.100 0.02 A 52 ARG HGx H 1 1.555 0.02 A 52 ARG HGy H 1 1.555 0.02 A 52 ARG CA C 13 53.402 0.3 A 52 ARG CB C 13 28.028 0.3 A 52 ARG CG C 13 24.272 0.3 A 52 ARG N N 15 122.624 0.3 A 53 GLN H H 1 8.381 0.02 A 53 GLN HA H 1 4.248 0.02 A 53 GLN HBy H 1 2.040 0.02 A 53 GLN HBx H 1 1.924 0.02 A 53 GLN HGx H 1 2.300 0.02 A 53 GLN HGy H 1 2.300 0.02 A 53 GLN CA C 13 52.946 0.3 A 53 GLN CB C 13 26.794 0.3 A 53 GLN CG C 13 32.441 0.3 A 53 GLN N N 15 121.647 0.3 A 54 ALA H H 1 8.338 0.02 A 54 ALA HA H 1 4.296 0.02 A 54 ALA HB% H 1 1.337 0.02 A 54 ALA CA C 13 49.575 0.3 A 54 ALA CB C 13 16.704 0.3 A 54 ALA N N 15 125.878 0.3 A 55 ASN H H 1 7.938 0.02 A 55 ASN HA H 1 4.410 0.02 A 55 ASN HBy H 1 2.720 0.02 A 55 ASN HBx H 1 2.627 0.02 A 55 ASN HD2x H 1 6.821 0.02 A 55 ASN HD2y H 1 7.483 0.02 A 55 ASN CA C 13 51.934 0.3 A 55 ASN CB C 13 37.714 0.3 A 55 ASN N N 15 123.272 0.3 A 55 ASN ND2 N 15 112.284 0.3 B 1 1HF H10 H 1 7.531 0.02 B 1 1HF H11 H 1 6.705 0.02 B 1 1HF H12 H 1 6.873 0.02 B 1 1HF H4 H 1 8.658 0.02 B 1 1HF H6 H 1 7.794 0.02 B 1 1HF H7 H 1 7.019 0.02 B 1 1HF H9 H 1 7.220 0.02 B 1 1HF HN1 H 1 10.347 0.02 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 1 ILE HB A 1 ILE HA 1.0 . 2.7 2 2 A 1 ILE HA A 1 ILE HG2% 1.0 . 5.0 3 3 A 1 ILE HB A 1 ILE HG1x 1.0 . 3.5 4 4 A 1 ILE HB A 1 ILE HG1y 1.0 . 5.0 5 5 A 1 ILE HB A 1 ILE HD1% 1.0 . 3.5 6 6 A 1 ILE HB A 1 ILE HG2% 1.0 . 2.7 7 7 A 1 ILE HG1x A 1 ILE HD1% 1.0 . 2.7 8 8 A 1 ILE HG1y A 1 ILE HD1% 1.0 . 2.7 9 9 A 1 ILE HG2% A 1 ILE HG1y 1.0 . 3.5 10 10 A 1 ILE HG2% A 1 ILE HG1x 1.0 . 3.5 11 11 A 1 ILE HA A 2 GLN H 1.0 . 3.5 12 12 A 2 GLN H A 2 GLN HA 1.0 . 3.5 13 13 A 2 GLN HA A 2 GLN HBx 1.0 . 2.7 14 13 A 2 GLN HA A 2 GLN HBy 1.0 . 2.7 15 14 A 2 GLN HA A 3 LYS H 1.0 . 5.0 16 15 A 3 LYS H A 3 LYS HA 1.0 . 3.5 17 16 A 3 LYS H A 3 LYS HDx 1.0 . 5.0 18 16 A 3 LYS H A 3 LYS HDy 1.0 . 5.0 19 17 A 4 GLY H A 4 GLY HA2 1.0 . 4.5 20 17 A 4 GLY H A 4 GLY HA3 1.0 . 4.5 21 18 A 5 ASN H A 4 GLY HA2 1.0 . 5.0 22 18 A 4 GLY HA3 A 5 ASN H 1.0 . 5.0 23 19 A 5 ASN H A 5 ASN HBx 1.0 . 2.7 24 20 A 5 ASN HBy A 5 ASN HA 1.0 . 3.0 25 21 A 6 PHE H A 6 PHE HA 1.0 . 3.5 26 22 A 6 PHE H A 6 PHE HBy 1.0 . 4.0 27 23 A 6 PHE H A 6 PHE HBx 1.0 . 5.0 28 24 A 6 PHE HA A 6 PHE HBy 1.0 . 3.5 29 25 A 6 PHE HA A 6 PHE HBx 1.0 . 3.0 30 26 A 6 PHE HA A 6 PHE HD% 1.0 . 3.5 31 27 A 6 PHE HBy A 6 PHE HD% 1.0 . 3.5 32 28 A 6 PHE HBx A 6 PHE HD% 1.0 . 3.5 33 29 A 6 PHE HBy A 14 LYS HB2 1.0 . 5.0 34 30 A 7 ARG H A 7 ARG HA 1.0 . 3.5 35 31 A 7 ARG H A 7 ARG HBx 1.0 . 4.0 36 31 A 7 ARG H A 7 ARG HBy 1.0 . 4.0 37 32 A 7 ARG HBy A 7 ARG HDx 1.0 . 3.5 38 32 A 7 ARG HBx A 7 ARG HDx 1.0 . 3.5 39 32 A 7 ARG HDy A 7 ARG HBx 1.0 . 3.5 40 32 A 7 ARG HBy A 7 ARG HDy 1.0 . 3.5 41 33 A 7 ARG HA A 8 ASN H 1.0 . 5.0 42 34 A 8 ASN H A 8 ASN HBy 1.0 . 4.0 43 35 A 8 ASN HBy A 8 ASN HA 1.0 . 2.7 44 36 A 8 ASN HA A 8 ASN HBx 1.0 . 3.2 45 37 A 9 GLN H A 9 GLN HBy 1.0 . 4.0 46 38 A 9 GLN HBy A 9 GLN HA 1.0 . 4.0 47 39 A 9 GLN HA A 9 GLN HBx 1.0 . 2.7 48 40 A 9 GLN HBx A 9 GLN HGx 1.0 . 2.7 49 40 A 9 GLN HBx A 9 GLN HGy 1.0 . 2.7 50 41 A 9 GLN HBy A 9 GLN HGx 1.0 . 2.7 51 41 A 9 GLN HBy A 9 GLN HGy 1.0 . 2.7 52 42 A 9 GLN HA A 9 GLN HGx 1.0 . 3.0 53 42 A 9 GLN HA A 9 GLN HGy 1.0 . 3.0 54 43 A 7 ARG HA A 10 ARG HBx 1.0 . 4.5 55 44 A 7 ARG HA A 10 ARG H 1.0 . 4.0 56 45 A 10 ARG H A 10 ARG HA 1.0 . 3.5 57 46 A 10 ARG HBx A 10 ARG H 1.0 . 2.7 58 47 A 10 ARG H A 10 ARG HBy 1.0 . 5.0 59 48 A 10 ARG H A 10 ARG HGx 1.0 . 4.0 60 48 A 10 ARG H A 10 ARG HGy 1.0 . 4.0 61 49 A 10 ARG HA A 10 ARG HBy 1.0 . 3.0 62 50 A 10 ARG HBx A 10 ARG HA 1.0 . 4.0 63 51 A 10 ARG HA A 10 ARG HGx 1.0 . 3.0 64 51 A 10 ARG HA A 10 ARG HGy 1.0 . 3.0 65 52 A 10 ARG HBx A 10 ARG HDx 1.0 . 2.7 66 52 A 10 ARG HBx A 10 ARG HDy 1.0 . 2.7 67 53 A 10 ARG HDx A 10 ARG HGx 1.0 . 2.7 68 53 A 10 ARG HDy A 10 ARG HGx 1.0 . 2.7 69 53 A 10 ARG HGy A 10 ARG HDx 1.0 . 2.7 70 53 A 10 ARG HGy A 10 ARG HDy 1.0 . 2.7 71 54 A 11 LYS HA A 11 LYS HBx 1.0 . 2.7 72 54 A 11 LYS HBy A 11 LYS HA 1.0 . 2.7 73 55 A 11 LYS HBy A 11 LYS HGx 1.0 . 2.7 74 55 A 11 LYS HBx A 11 LYS HGx 1.0 . 2.7 75 55 A 11 LYS HGy A 11 LYS HBx 1.0 . 2.7 76 55 A 11 LYS HBy A 11 LYS HGy 1.0 . 2.7 77 56 A 11 LYS HDx A 11 LYS HEx 1.0 . 2.7 78 56 A 11 LYS HDy A 11 LYS HEx 1.0 . 2.7 79 56 A 11 LYS HEy A 11 LYS HDx 1.0 . 2.7 80 56 A 11 LYS HEy A 11 LYS HDy 1.0 . 2.7 81 57 A 12 THR H A 11 LYS HBx 1.0 . 5.0 82 57 A 11 LYS HBy A 12 THR H 1.0 . 5.0 83 58 A 12 THR H A 12 THR HA 1.0 . 3.2 84 59 A 12 THR H A 12 THR HB 1.0 . 5.0 85 60 A 12 THR H A 12 THR HG2% 1.0 . 5.0 86 61 A 12 THR HA A 12 THR HB 1.0 . 3.5 87 62 A 12 THR HA A 12 THR HG2% 1.0 . 3.5 88 63 A 12 THR HB A 12 THR HG2% 1.0 . 2.7 89 64 A 12 THR HA A 13 VAL H 1.0 . 2.7 90 65 A 12 THR HB A 13 VAL H 1.0 . 4.5 91 66 A 9 GLN HA A 13 VAL HG2% 1.0 . 5.0 92 67 A 12 THR HG2% A 13 VAL H 1.0 . 5.0 93 68 A 13 VAL H A 13 VAL HA 1.0 . 3.2 94 69 A 13 VAL H A 13 VAL HB 1.0 . 3.5 95 70 A 13 VAL H A 13 VAL HG1% 1.0 . 3.0 96 71 A 13 VAL HG2% A 13 VAL HA 1.0 . 2.7 97 72 A 13 VAL HA A 13 VAL HB 1.0 . 3.5 98 73 A 13 VAL HG2% A 13 VAL HB 1.0 . 2.7 99 74 A 13 VAL HA A 13 VAL HG1% 1.0 . 3.5 100 75 A 13 VAL HB A 13 VAL HG1% 1.0 . 2.7 101 76 A 13 VAL H A 13 VAL HG2% 1.0 . 5.0 102 77 A 13 VAL HA A 14 LYS H 1.0 . 2.7 103 78 A 13 VAL HB A 14 LYS H 1.0 . 4.5 104 79 A 13 VAL HG1% A 14 LYS H 1.0 . 4.5 105 80 A 13 VAL HG2% A 14 LYS H 1.0 . 3.5 106 81 A 13 VAL HG2% A 22 GLY H 1.0 . 5.0 107 82 A 13 VAL HG2% A 24 ILE HA 1.0 . 5.0 108 83 A 14 LYS H A 14 LYS HA 1.0 . 3.5 109 84 A 14 LYS H A 14 LYS HB3 1.0 . 3.0 110 85 A 14 LYS H A 14 LYS HG2 1.0 . 5.0 111 86 A 14 LYS H A 14 LYS HDx 1.0 . 5.0 112 86 A 14 LYS H A 14 LYS HDy 1.0 . 5.0 113 87 A 14 LYS HB2 A 14 LYS H 1.0 . 3.0 114 88 A 14 LYS HB2 A 14 LYS HA 1.0 . 3.0 115 89 A 14 LYS HA A 14 LYS HB3 1.0 . 5.0 116 90 A 14 LYS HB3 A 14 LYS HG2 1.0 . 3.0 117 91 A 14 LYS HB3 A 14 LYS HG3 1.0 . 3.0 118 92 A 14 LYS HG2 A 14 LYS HDx 1.0 . 2.7 119 92 A 14 LYS HG2 A 14 LYS HDy 1.0 . 2.7 120 93 A 14 LYS HG3 A 14 LYS HDx 1.0 . 2.7 121 93 A 14 LYS HDy A 14 LYS HG3 1.0 . 2.7 122 94 A 14 LYS HDy A 14 LYS HEx 1.0 . 2.7 123 94 A 14 LYS HEy A 14 LYS HDx 1.0 . 2.7 124 94 A 14 LYS HDy A 14 LYS HEy 1.0 . 2.7 125 94 A 14 LYS HDx A 14 LYS HEx 1.0 . 2.7 126 95 A 14 LYS HA A 15 CYS H 1.0 . 2.7 127 96 A 14 LYS HB3 A 15 CYS H 1.0 . 5.0 128 97 A 14 LYS HG3 A 15 CYS H 1.0 . 5.0 129 98 A 15 CYS H A 15 CYS HA 1.0 . 3.4 130 99 A 15 CYS H A 15 CYS HB3 1.0 . 2.9 131 100 A 15 CYS H A 15 CYS HB2 1.0 . 2.9 132 101 A 15 CYS HA A 15 CYS HB2 1.0 . 2.9 133 102 A 15 CYS HA A 15 CYS HB3 1.0 . 3.5 134 103 A 15 CYS HA A 16 PHE H 1.0 . 2.7 135 104 A 15 CYS H A 19 GLY H 1.0 . 5.0 136 105 A 15 CYS HB3 A 19 GLY H 1.0 . 3.7 137 106 A 15 CYS HB2 A 19 GLY H 1.0 . 5.0 138 107 A 15 CYS HB2 A 25 ALA H 1.0 . 5.0 139 108 A 15 CYS HB2 A 17 ASN H 1.0 . 5.0 140 109 A 15 CYS HB2 A 28 CYS HB2 1.0 . 5.0 141 110 A 15 CYS H A 21 GLU HA 1.0 . 5.0 142 111 A 15 CYS H A 23 HIS H 1.0 . 5.0 143 112 A 15 CYS HA A 25 ALA H 1.0 . 5.0 144 113 A 15 CYS HB3 A 16 PHE H 1.0 . 5.0 145 114 A 15 CYS HB2 A 16 PHE H 1.0 . 5.0 146 115 A 16 PHE H A 16 PHE HA 1.0 . 4.0 147 116 A 16 PHE H A 16 PHE HB3 1.0 . 4.0 148 117 A 16 PHE H A 16 PHE HB2 1.0 . 2.7 149 118 A 16 PHE H A 16 PHE HD% 1.0 . 4.0 150 119 A 16 PHE HA A 16 PHE HB3 1.0 . 2.7 151 120 A 16 PHE HA A 16 PHE HB2 1.0 . 3.5 152 121 A 16 PHE HA A 16 PHE HD% 1.0 . 3.0 153 122 A 16 PHE HB3 A 16 PHE HD% 1.0 . 3.2 154 123 A 16 PHE HB2 A 16 PHE HD% 1.0 . 2.9 155 124 A 16 PHE HB3 A 16 PHE HEy 1.0 . 5.5 156 125 A 16 PHE HB2 A 16 PHE HEy 1.0 . 5.5 157 126 A 16 PHE HB3 A 37 TRP HBx 1.0 . 4.5 158 126 A 16 PHE HB3 A 37 TRP HBy 1.0 . 4.5 159 127 A 16 PHE HD% A 37 TRP HZ3 1.0 . 5.5 160 128 A 16 PHE HEx A 38 LYS HDx 1.0 . 5.0 161 128 A 16 PHE HEx A 38 LYS HDy 1.0 . 5.0 162 129 A 16 PHE HEx A 38 LYS HEx 1.0 . 5.0 163 129 A 16 PHE HEx A 38 LYS HEy 1.0 . 5.0 164 130 A 16 PHE HD% A 46 MET HE% 1.0 . 5.0 165 131 A 16 PHE HEx A 46 MET HE% 1.0 . 5.0 166 132 A 15 CYS HA A 17 ASN H 1.0 . 5.0 167 133 A 16 PHE H A 17 ASN H 1.0 . 3.5 168 134 A 17 ASN H A 16 PHE HB3 1.0 . 5.5 169 135 A 17 ASN H A 16 PHE HB2 1.0 . 4.5 170 136 A 17 ASN H A 17 ASN HA 1.0 . 3.5 171 137 A 17 ASN H A 17 ASN HB3 1.0 . 2.7 172 138 A 17 ASN H A 17 ASN HB2 1.0 . 3.2 173 139 A 17 ASN HA A 17 ASN HB2 1.0 . 2.9 174 140 A 17 ASN HA A 17 ASN HB3 1.0 . 3.5 175 141 A 17 ASN H A 17 ASN HD21 1.0 . 5.0 176 142 A 17 ASN HB3 A 17 ASN HD21 1.0 . 2.7 177 143 A 17 ASN HB2 A 17 ASN HD21 1.0 . 3.5 178 144 A 17 ASN HB3 A 17 ASN HD22 1.0 . 3.8 179 145 A 17 ASN HB2 A 17 ASN HD22 1.0 . 5.0 180 146 A 17 ASN H A 18 CYS H 1.0 . 2.7 181 147 A 17 ASN HA A 18 CYS H 1.0 . 3.7 182 148 A 17 ASN HB3 A 18 CYS H 1.0 . 2.8 183 149 A 17 ASN HB2 A 18 CYS H 1.0 . 4.0 184 150 A 19 GLY H A 17 ASN H 1.0 . 5.0 185 151 A 17 ASN H A 25 ALA HA 1.0 . 5.0 186 152 A 17 ASN H A 25 ALA HB% 1.0 . 3.5 187 153 A 17 ASN HB3 A 28 CYS HB3 1.0 . 5.0 188 154 A 28 CYS HB2 A 17 ASN HD21 1.0 . 5.0 189 155 A 17 ASN HD21 A 28 CYS HB3 1.0 . 5.0 190 156 A 17 ASN HD21 A 30 ALA HB% 1.0 . 4.0 191 157 A 17 ASN HD22 A 30 ALA HB% 1.0 . 4.0 192 158 A 17 ASN HD22 A 32 ARG HA 1.0 . 3.0 193 159 A 17 ASN HD21 A 32 ARG HA 1.0 . 4.0 194 160 A 17 ASN HD21 A 32 ARG HB3 1.0 . 5.0 195 161 A 17 ASN HD22 A 32 ARG HGx 1.0 . 5.0 196 161 A 17 ASN HD22 A 32 ARG HGy 1.0 . 5.0 197 162 A 15 CYS HB2 A 18 CYS H 1.0 . 5.0 198 163 A 15 CYS HB3 A 18 CYS H 1.0 . 3.5 199 164 A 17 ASN HD21 A 18 CYS H 1.0 . 5.0 200 165 A 18 CYS H A 18 CYS HA 1.0 . 3.5 201 166 A 18 CYS H A 18 CYS HB3 1.0 . 3.0 202 167 A 18 CYS H A 18 CYS HB2 1.0 . 5.0 203 168 A 18 CYS HA A 18 CYS HB2 1.0 . 2.7 204 169 A 18 CYS HA A 18 CYS HB3 1.0 . 2.7 205 170 A 18 CYS HB2 A 20 LYS HBx 1.0 . 5.0 206 170 A 18 CYS HB2 A 20 LYS HBy 1.0 . 5.0 207 171 A 18 CYS H A 25 ALA HB% 1.0 . 5.0 208 172 A 18 CYS H A 19 GLY HA3 1.0 . 5.0 209 173 A 19 GLY H A 18 CYS H 1.0 . 2.7 210 174 A 19 GLY H A 18 CYS HA 1.0 . 4.0 211 175 A 19 GLY H A 19 GLY HA3 1.0 . 2.7 212 176 A 19 GLY H A 19 GLY HA3 1.0 . 3.0 213 177 A 19 GLY H A 20 LYS H 1.0 . 3.5 214 178 A 19 GLY HA3 A 20 LYS H 1.0 . 3.5 215 179 A 19 GLY HA3 A 20 LYS H 1.0 . 3.5 216 180 A 15 CYS HB3 A 20 LYS H 1.0 . 3.5 217 181 A 15 CYS HB2 A 20 LYS H 1.0 . 5.0 218 182 A 20 LYS H A 20 LYS HA 1.0 . 3.0 219 183 A 20 LYS H A 20 LYS HBx 1.0 . 2.5 220 183 A 20 LYS HBy A 20 LYS H 1.0 . 2.5 221 184 A 20 LYS H A 20 LYS HGy 1.0 . 4.0 222 185 A 20 LYS H A 20 LYS HGx 1.0 . 5.0 223 186 A 20 LYS HA A 20 LYS HBx 1.0 . 2.7 224 186 A 20 LYS HBy A 20 LYS HA 1.0 . 2.7 225 187 A 20 LYS HA A 20 LYS HGy 1.0 . 3.7 226 188 A 20 LYS HA A 20 LYS HGx 1.0 . 3.5 227 189 A 20 LYS HGy A 20 LYS HBx 1.0 . 2.7 228 189 A 20 LYS HBy A 20 LYS HGy 1.0 . 2.7 229 190 A 20 LYS HGx A 20 LYS HEx 1.0 . 2.7 230 190 A 20 LYS HGx A 20 LYS HEy 1.0 . 2.7 231 191 A 20 LYS HDx A 20 LYS HEx 1.0 . 2.7 232 191 A 20 LYS HEy A 20 LYS HDx 1.0 . 2.7 233 191 A 20 LYS HEy A 20 LYS HDy 1.0 . 2.7 234 191 A 20 LYS HDy A 20 LYS HEx 1.0 . 2.7 235 192 A 21 GLU H A 20 LYS HBx 1.0 . 3.5 236 192 A 20 LYS HBy A 21 GLU H 1.0 . 3.5 237 193 A 12 THR HG2% A 21 GLU HBx 1.0 . 5.0 238 193 A 12 THR HG2% A 21 GLU HBy 1.0 . 5.0 239 194 A 12 THR HG2% A 21 GLU HGy 1.0 . 4.5 240 195 A 12 THR HG2% A 21 GLU HGx 1.0 . 5.0 241 196 A 20 LYS HA A 21 GLU H 1.0 . 2.7 242 197 A 20 LYS HGx A 21 GLU H 1.0 . 5.0 243 198 A 21 GLU HA A 21 GLU H 1.0 . 3.5 244 199 A 21 GLU H A 21 GLU HBx 1.0 . 2.5 245 199 A 21 GLU H A 21 GLU HBy 1.0 . 2.5 246 200 A 21 GLU H A 21 GLU HGx 1.0 . 3.0 247 201 A 21 GLU HA A 21 GLU HGx 1.0 . 5.0 248 202 A 21 GLU HA A 21 GLU HBx 1.0 . 3.5 249 202 A 21 GLU HA A 21 GLU HBy 1.0 . 3.5 250 203 A 21 GLU H A 21 GLU HGy 1.0 . 3.5 251 204 A 21 GLU HA A 21 GLU HGy 1.0 . 2.9 252 205 A 21 GLU HGx A 21 GLU HBx 1.0 . 2.7 253 205 A 21 GLU HBy A 21 GLU HGx 1.0 . 2.7 254 206 A 12 THR HG2% A 22 GLY H 1.0 . 5.0 255 207 A 22 GLY H A 14 LYS HA 1.0 . 5.0 256 208 A 22 GLY H A 21 GLU HA 1.0 . 2.9 257 209 A 22 GLY H A 21 GLU HBx 1.0 . 3.5 258 209 A 22 GLY H A 21 GLU HBy 1.0 . 3.5 259 210 A 22 GLY H A 21 GLU HGx 1.0 . 3.7 260 211 A 22 GLY H A 22 GLY HA3 1.0 . 3.0 261 212 A 22 GLY H A 22 GLY HA3 1.0 . 2.7 262 213 A 22 GLY H A 23 HIS H 1.0 . 3.0 263 214 A 23 HIS H A 22 GLY HA3 1.0 . 3.5 264 215 A 13 VAL H A 23 HIS H 1.0 . 5.0 265 216 A 13 VAL HG2% A 23 HIS H 1.0 . 5.0 266 217 A 13 VAL HG1% A 23 HIS H 1.0 . 5.0 267 218 A 15 CYS HB2 A 23 HIS H 1.0 . 5.0 268 219 A 15 CYS HB3 A 23 HIS HE1 1.0 . 5.0 269 220 A 15 CYS HB3 A 23 HIS HD2 1.0 . 5.0 270 221 A 15 CYS HB2 A 23 HIS HD2 1.0 . 3.0 271 222 A 20 LYS HA A 23 HIS HE1 1.0 . 5.0 272 223 A 23 HIS HE1 A 20 LYS HBx 1.0 . 3.0 273 223 A 20 LYS HBy A 23 HIS HE1 1.0 . 3.0 274 224 A 23 HIS HE1 A 20 LYS HDx 1.0 . 5.0 275 224 A 20 LYS HDy A 23 HIS HE1 1.0 . 5.0 276 225 A 20 LYS HGy A 23 HIS HE1 1.0 . 5.0 277 226 A 20 LYS HGx A 23 HIS HE1 1.0 . 5.0 278 227 A 23 HIS H A 22 GLY HA3 1.0 . 3.5 279 228 A 23 HIS H A 23 HIS HA 1.0 . 3.5 280 229 A 23 HIS H A 23 HIS HBx 1.0 . 3.5 281 229 A 23 HIS H A 23 HIS HBy 1.0 . 3.5 282 230 A 23 HIS HA A 23 HIS HBx 1.0 . 2.7 283 230 A 23 HIS HA A 23 HIS HBy 1.0 . 2.7 284 231 A 23 HIS HD2 A 23 HIS HBx 1.0 . 3.5 285 231 A 23 HIS HD2 A 23 HIS HBy 1.0 . 3.5 286 232 A 24 ILE H A 23 HIS HBx 1.0 . 3.0 287 232 A 23 HIS HBy A 24 ILE H 1.0 . 3.0 288 233 A 24 ILE HG12 A 23 HIS HBx 1.0 . 4.5 289 233 A 23 HIS HBy A 24 ILE HG12 1.0 . 4.5 290 234 A 24 ILE HA A 23 HIS HD2 1.0 . 5.0 291 235 A 25 ALA HA A 23 HIS HD2 1.0 . 3.5 292 236 A 23 HIS HD2 A 28 CYS HA 1.0 . 4.5 293 237 A 28 CYS HB2 A 23 HIS HD2 1.0 . 3.0 294 238 A 28 CYS HB3 A 23 HIS HD2 1.0 . 4.5 295 239 A 23 HIS HA A 24 ILE H 1.0 . 3.0 296 240 A 24 ILE HA A 24 ILE H 1.0 . 3.8 297 241 A 24 ILE H A 24 ILE HB 1.0 . 4.0 298 242 A 24 ILE H A 24 ILE HG12 1.0 . 2.7 299 243 A 24 ILE H A 24 ILE HD1% 1.0 . 5.0 300 244 A 24 ILE H A 24 ILE HG2% 1.0 . 3.5 301 245 A 24 ILE HA A 24 ILE HD1% 1.0 . 5.0 302 246 A 24 ILE HA A 24 ILE HG2% 1.0 . 2.7 303 247 A 24 ILE HA A 24 ILE HB 1.0 . 3.0 304 248 A 24 ILE HB A 24 ILE HG13 1.0 . 3.0 305 249 A 24 ILE HB A 24 ILE HD1% 1.0 . 2.7 306 250 A 24 ILE HB A 24 ILE HG2% 1.0 . 2.7 307 251 A 24 ILE H A 24 ILE HG13 1.0 . 3.5 308 252 A 24 ILE HG12 A 24 ILE HD1% 1.0 . 2.9 309 253 A 24 ILE HD1% A 24 ILE HG13 1.0 . 2.9 310 254 A 24 ILE HG13 A 24 ILE HG2% 1.0 . 4.5 311 255 A 24 ILE HG12 A 24 ILE HG2% 1.0 . 3.5 312 256 A 24 ILE HD1% A 24 ILE HG2% 1.0 . 3.5 313 257 A 24 ILE HA A 25 ALA H 1.0 . 2.7 314 258 A 25 ALA H A 24 ILE HB 1.0 . 3.2 315 259 A 25 ALA H A 24 ILE HD1% 1.0 . 5.0 316 260 A 25 ALA H A 24 ILE HG2% 1.0 . 4.0 317 261 A 24 ILE HB A 26 LYS H 1.0 . 4.0 318 262 A 24 ILE HG13 A 26 LYS H 1.0 . 3.5 319 263 A 24 ILE HD1% A 26 LYS H 1.0 . 3.5 320 264 A 24 ILE HD1% A 26 LYS HGx 1.0 . 4.0 321 264 A 24 ILE HD1% A 26 LYS HGy 1.0 . 4.0 322 265 A 24 ILE HD1% A 26 LYS HDx 1.0 . 5.0 323 265 A 24 ILE HD1% A 26 LYS HDy 1.0 . 5.0 324 266 A 24 ILE HG2% A 26 LYS H 1.0 . 5.0 325 267 A 24 ILE HD1% A 27 ASN H 1.0 . 5.0 326 268 A 16 PHE H A 25 ALA H 1.0 . 3.5 327 269 A 16 PHE H A 25 ALA HB% 1.0 . 4.0 328 270 A 16 PHE HB3 A 25 ALA HB% 1.0 . 5.0 329 271 A 16 PHE HB2 A 25 ALA HB% 1.0 . 3.5 330 272 A 16 PHE HD% A 25 ALA HB% 1.0 . 5.0 331 273 A 17 ASN HB2 A 25 ALA HB% 1.0 . 5.0 332 274 A 25 ALA H A 24 ILE HG13 1.0 . 4.0 333 275 A 25 ALA H A 25 ALA HA 1.0 . 3.5 334 276 A 25 ALA H A 25 ALA HB% 1.0 . 2.7 335 277 A 25 ALA HA A 25 ALA HB% 1.0 . 3.5 336 278 A 25 ALA H A 26 LYS H 1.0 . 3.5 337 279 A 25 ALA H A 27 ASN H 1.0 . 5.0 338 280 A 28 CYS HB2 A 25 ALA HA 1.0 . 2.7 339 281 A 25 ALA HB% A 37 TRP HH2 1.0 . 4.5 340 282 A 37 TRP HZ3 A 25 ALA HB% 1.0 . 4.5 341 283 A 24 ILE HD1% A 26 LYS HBx 1.0 . 3.5 342 283 A 24 ILE HD1% A 26 LYS HBy 1.0 . 3.5 343 284 A 25 ALA HA A 26 LYS H 1.0 . 5.0 344 285 A 25 ALA HB% A 26 LYS H 1.0 . 4.0 345 286 A 26 LYS H A 26 LYS HA 1.0 . 3.0 346 287 A 26 LYS H A 26 LYS HBx 1.0 . 2.7 347 287 A 26 LYS H A 26 LYS HBy 1.0 . 2.7 348 288 A 26 LYS HA A 26 LYS HBx 1.0 . 2.7 349 288 A 26 LYS HBy A 26 LYS HA 1.0 . 2.7 350 289 A 26 LYS HBy A 26 LYS HDx 1.0 . 5.0 351 289 A 26 LYS HBx A 26 LYS HDx 1.0 . 5.0 352 289 A 26 LYS HDy A 26 LYS HBx 1.0 . 5.0 353 289 A 26 LYS HDy A 26 LYS HBy 1.0 . 5.0 354 290 A 26 LYS HA A 26 LYS HGx 1.0 . 3.5 355 290 A 26 LYS HGy A 26 LYS HA 1.0 . 3.5 356 291 A 26 LYS HDy A 26 LYS HGx 1.0 . 3.5 357 291 A 26 LYS HDx A 26 LYS HGx 1.0 . 3.5 358 291 A 26 LYS HGy A 26 LYS HDx 1.0 . 3.5 359 291 A 26 LYS HGy A 26 LYS HDy 1.0 . 3.5 360 292 A 26 LYS HDy A 26 LYS HEx 1.0 . 2.7 361 292 A 26 LYS HDx A 26 LYS HEx 1.0 . 2.7 362 292 A 26 LYS HEy A 26 LYS HDx 1.0 . 2.7 363 292 A 26 LYS HDy A 26 LYS HEy 1.0 . 2.7 364 293 A 26 LYS HBy A 26 LYS HEx 1.0 . 3.7 365 293 A 26 LYS HEy A 26 LYS HBx 1.0 . 3.7 366 293 A 26 LYS HBy A 26 LYS HEy 1.0 . 3.7 367 293 A 26 LYS HBx A 26 LYS HEx 1.0 . 3.7 368 294 A 26 LYS HEx A 26 LYS HGx 1.0 . 4.0 369 294 A 26 LYS HEy A 26 LYS HGx 1.0 . 4.0 370 294 A 26 LYS HGy A 26 LYS HEx 1.0 . 4.0 371 294 A 26 LYS HGy A 26 LYS HEy 1.0 . 4.0 372 295 A 27 ASN H A 26 LYS HA 1.0 . 4.5 373 296 A 27 ASN H A 26 LYS HBx 1.0 . 3.5 374 296 A 27 ASN H A 26 LYS HBy 1.0 . 3.5 375 297 A 24 ILE HG13 A 27 ASN H 1.0 . 4.0 376 298 A 24 ILE HG12 A 27 ASN HD21 1.0 . 5.0 377 299 A 24 ILE HG12 A 27 ASN HD22 1.0 . 3.5 378 300 A 24 ILE H A 27 ASN HB3 1.0 . 5.0 379 301 A 24 ILE HD1% A 27 ASN HD22 1.0 . 5.0 380 302 A 25 ALA HA A 27 ASN H 1.0 . 5.0 381 303 A 26 LYS H A 27 ASN H 1.0 . 3.5 382 304 A 27 ASN H A 27 ASN HA 1.0 . 3.5 383 305 A 27 ASN H A 27 ASN HB2 1.0 . 4.0 384 306 A 27 ASN H A 27 ASN HB3 1.0 . 3.0 385 307 A 27 ASN HA A 27 ASN HB2 1.0 . 2.7 386 308 A 27 ASN HB3 A 27 ASN HA 1.0 . 3.0 387 309 A 27 ASN HD22 A 27 ASN HB2 1.0 . 5.0 388 310 A 27 ASN HD22 A 27 ASN HB3 1.0 . 3.5 389 311 A 27 ASN HD21 A 27 ASN HB3 1.0 . 5.0 390 312 A 27 ASN H A 28 CYS H 1.0 . 3.5 391 313 A 28 CYS HB2 A 27 ASN H 1.0 . 5.0 392 314 A 28 CYS HB3 A 27 ASN H 1.0 . 5.0 393 315 A 23 HIS HD2 A 28 CYS H 1.0 . 5.0 394 316 A 25 ALA HA A 28 CYS H 1.0 . 4.0 395 317 A 25 ALA HA A 28 CYS HA 1.0 . 4.5 396 318 A 25 ALA HA A 28 CYS HB3 1.0 . 3.2 397 319 A 27 ASN HA A 28 CYS H 1.0 . 3.5 398 320 A 27 ASN HB2 A 28 CYS H 1.0 . 5.0 399 321 A 27 ASN HB3 A 28 CYS H 1.0 . 5.0 400 322 A 28 CYS HA A 28 CYS H 1.0 . 3.5 401 323 A 28 CYS HB2 A 28 CYS H 1.0 . 2.7 402 324 A 28 CYS HB3 A 28 CYS H 1.0 . 2.7 403 325 A 28 CYS HB2 A 28 CYS HA 1.0 . 2.7 404 326 A 28 CYS HB3 A 28 CYS HA 1.0 . 3.5 405 327 A 28 CYS HA A 30 ALA H 1.0 . 5.0 406 328 A 29 ARG HA A 29 ARG HBx 1.0 . 2.9 407 329 A 29 ARG HA A 29 ARG HBy 1.0 . 3.2 408 330 A 29 ARG HA A 29 ARG HDx 1.0 . 4.5 409 330 A 29 ARG HA A 29 ARG HDy 1.0 . 4.5 410 331 A 29 ARG HA A 29 ARG HGx 1.0 . 3.5 411 331 A 29 ARG HA A 29 ARG HGy 1.0 . 3.5 412 332 A 29 ARG HBx A 29 ARG HGx 1.0 . 3.5 413 332 A 29 ARG HBx A 29 ARG HGy 1.0 . 3.5 414 333 A 29 ARG HDx A 29 ARG HGx 1.0 . 2.7 415 333 A 29 ARG HGy A 29 ARG HDx 1.0 . 2.7 416 333 A 29 ARG HDy A 29 ARG HGy 1.0 . 2.7 417 333 A 29 ARG HDy A 29 ARG HGx 1.0 . 2.7 418 334 A 29 ARG HBx A 29 ARG HDx 1.0 . 4.0 419 334 A 29 ARG HBx A 29 ARG HDy 1.0 . 4.0 420 335 A 29 ARG HBy A 29 ARG HDx 1.0 . 3.8 421 335 A 29 ARG HBy A 29 ARG HDy 1.0 . 3.8 422 336 A 30 ALA HB% A 18 CYS HA 1.0 . 5.0 423 337 A 30 ALA HB% A 18 CYS HB3 1.0 . 3.5 424 338 A 28 CYS HB2 A 30 ALA H 1.0 . 5.0 425 339 A 30 ALA HB% A 18 CYS HB2 1.0 . 4.5 426 340 A 30 ALA H A 29 ARG HA 1.0 . 3.5 427 341 A 30 ALA H A 29 ARG HBy 1.0 . 5.0 428 342 A 30 ALA H A 30 ALA HA 1.0 . 3.2 429 343 A 30 ALA HB% A 30 ALA H 1.0 . 3.0 430 344 A 30 ALA HB% A 30 ALA HA 1.0 . 3.5 431 345 A 30 ALA H A 31 PRO HD2 1.0 . 5.0 432 346 A 30 ALA HA A 31 PRO HD2 1.0 . 2.5 433 347 A 30 ALA HA A 31 PRO HD3 1.0 . 2.7 434 348 A 30 ALA HB% A 31 PRO HD2 1.0 . 4.5 435 349 A 30 ALA HB% A 31 PRO HD3 1.0 . 5.0 436 350 A 31 PRO HA A 32 ARG H 1.0 . 2.5 437 351 A 32 ARG H A 31 PRO HB2 1.0 . 3.5 438 352 A 17 ASN HD22 A 32 ARG H 1.0 . 5.0 439 353 A 32 ARG HA A 32 ARG H 1.0 . 3.5 440 354 A 32 ARG H A 32 ARG HB2 1.0 . 3.5 441 355 A 32 ARG HB3 A 32 ARG H 1.0 . 5.0 442 356 A 32 ARG H A 32 ARG HGx 1.0 . 3.0 443 356 A 32 ARG HGy A 32 ARG H 1.0 . 3.0 444 357 A 32 ARG HA A 32 ARG HGx 1.0 . 3.0 445 357 A 32 ARG HA A 32 ARG HGy 1.0 . 3.0 446 358 A 32 ARG HB3 A 32 ARG HGx 1.0 . 2.7 447 358 A 32 ARG HB3 A 32 ARG HGy 1.0 . 2.7 448 359 A 32 ARG HB2 A 32 ARG HD3 1.0 . 3.2 449 360 A 32 ARG HB3 A 32 ARG HD3 1.0 . 2.7 450 361 A 32 ARG HB2 A 32 ARG HD2 1.0 . 2.9 451 362 A 32 ARG HB3 A 32 ARG HD2 1.0 . 3.2 452 363 A 17 ASN HD21 A 33 LYS H 1.0 . 5.0 453 364 A 17 ASN HD22 A 33 LYS H 1.0 . 4.0 454 365 A 32 ARG HB2 A 33 LYS H 1.0 . 5.0 455 366 A 32 ARG HB3 A 33 LYS H 1.0 . 5.0 456 367 A 32 ARG HA A 33 LYS H 1.0 . 2.7 457 368 A 33 LYS H A 32 ARG HGx 1.0 . 5.0 458 368 A 32 ARG HGy A 33 LYS H 1.0 . 5.0 459 369 A 33 LYS H A 33 LYS HBx 1.0 . 3.5 460 369 A 33 LYS H A 33 LYS HBy 1.0 . 3.5 461 370 A 33 LYS H A 33 LYS HA 1.0 . 3.5 462 371 A 33 LYS H A 33 LYS HGx 1.0 . 4.5 463 372 A 33 LYS HA A 33 LYS HBx 1.0 . 2.7 464 372 A 33 LYS HBy A 33 LYS HA 1.0 . 2.7 465 373 A 33 LYS HGx A 33 LYS HBx 1.0 . 2.7 466 373 A 33 LYS HBy A 33 LYS HGx 1.0 . 2.7 467 374 A 33 LYS HGy A 33 LYS HBx 1.0 . 3.5 468 374 A 33 LYS HBy A 33 LYS HGy 1.0 . 3.5 469 375 A 33 LYS HGx A 33 LYS HEx 1.0 . 3.5 470 375 A 33 LYS HGx A 33 LYS HEy 1.0 . 3.5 471 376 A 33 LYS HA A 33 LYS HGy 1.0 . 3.0 472 377 A 33 LYS HGy A 33 LYS HEx 1.0 . 3.7 473 377 A 33 LYS HGy A 33 LYS HEy 1.0 . 3.7 474 378 A 33 LYS HGy A 33 LYS HDx 1.0 . 3.0 475 378 A 33 LYS HGy A 33 LYS HDy 1.0 . 3.0 476 379 A 33 LYS HDx A 33 LYS HEx 1.0 . 2.7 477 379 A 33 LYS HDy A 33 LYS HEx 1.0 . 2.7 478 379 A 33 LYS HEy A 33 LYS HDx 1.0 . 2.7 479 379 A 33 LYS HEy A 33 LYS HDy 1.0 . 2.7 480 380 A 33 LYS H A 34 LYS H 1.0 . 5.0 481 381 A 33 LYS HA A 34 LYS H 1.0 . 2.7 482 382 A 34 LYS H A 33 LYS HBx 1.0 . 3.7 483 382 A 33 LYS HBy A 34 LYS H 1.0 . 3.7 484 383 A 33 LYS HGy A 34 LYS H 1.0 . 4.0 485 384 A 34 LYS H A 34 LYS HBx 1.0 . 2.7 486 384 A 34 LYS H A 34 LYS HBy 1.0 . 2.7 487 385 A 34 LYS HA A 34 LYS HBx 1.0 . 3.0 488 385 A 34 LYS HBy A 34 LYS HA 1.0 . 3.0 489 386 A 34 LYS HDy A 34 LYS HGx 1.0 . 2.7 490 386 A 34 LYS HDx A 34 LYS HGx 1.0 . 2.7 491 386 A 34 LYS HGy A 34 LYS HDx 1.0 . 2.7 492 386 A 34 LYS HDy A 34 LYS HGy 1.0 . 2.7 493 387 A 34 LYS HA A 35 GLY H 1.0 . 2.9 494 388 A 35 GLY H A 34 LYS HBx 1.0 . 4.5 495 388 A 34 LYS HBy A 35 GLY H 1.0 . 4.5 496 389 A 35 GLY H A 35 GLY HA3 1.0 . 2.9 497 390 A 35 GLY H A 35 GLY HA3 1.0 . 2.9 498 391 A 35 GLY HA3 A 36 CYS H 1.0 . 2.9 499 392 A 35 GLY HA3 A 36 CYS H 1.0 . 2.9 500 393 A 35 GLY HA3 A 42 GLU HA 1.0 . 4.5 501 394 A 36 CYS H A 36 CYS HB3 1.0 . 3.0 502 395 A 36 CYS H A 36 CYS HB2 1.0 . 3.5 503 396 A 36 CYS H A 36 CYS HA 1.0 . 3.2 504 397 A 36 CYS HB3 A 36 CYS HA 1.0 . 3.5 505 398 A 36 CYS HB2 A 36 CYS HA 1.0 . 3.0 506 399 A 36 CYS HA A 37 TRP H 1.0 . 3.5 507 400 A 36 CYS H A 37 TRP H 1.0 . 5.0 508 401 A 36 CYS HB3 A 39 CYS H 1.0 . 4.5 509 402 A 36 CYS HB3 A 40 GLY H 1.0 . 4.5 510 403 A 16 PHE HB2 A 37 TRP HBx 1.0 . 5.0 511 403 A 16 PHE HB2 A 37 TRP HBy 1.0 . 5.0 512 404 A 16 PHE HB2 A 37 TRP HE3 1.0 . 5.0 513 405 A 32 ARG HA A 37 TRP HZ2 1.0 . 5.0 514 406 A 32 ARG HB2 A 37 TRP HZ2 1.0 . 4.0 515 407 A 37 TRP HH2 A 32 ARG HB2 1.0 . 5.5 516 408 A 32 ARG HB3 A 37 TRP HZ2 1.0 . 3.0 517 409 A 32 ARG HB3 A 37 TRP HH2 1.0 . 5.0 518 410 A 32 ARG HB2 A 37 TRP HE1 1.0 . 5.0 519 411 A 32 ARG HD3 A 37 TRP HZ2 1.0 . 4.5 520 412 A 37 TRP HH2 A 32 ARG HD3 1.0 . 5.5 521 413 A 37 TRP HH2 A 32 ARG HD2 1.0 . 5.0 522 414 A 32 ARG HD2 A 37 TRP HZ2 1.0 . 4.5 523 415 A 37 TRP HE1 A 33 LYS HBx 1.0 . 4.5 524 415 A 33 LYS HBy A 37 TRP HE1 1.0 . 4.5 525 416 A 33 LYS HGx A 37 TRP HE1 1.0 . 4.7 526 417 A 33 LYS HGy A 37 TRP HE1 1.0 . 5.0 527 418 A 37 TRP HD1 A 33 LYS HBx 1.0 . 4.0 528 418 A 33 LYS HBy A 37 TRP HD1 1.0 . 4.0 529 419 A 33 LYS HGy A 37 TRP HD1 1.0 . 5.0 530 420 A 33 LYS HGx A 37 TRP HD1 1.0 . 4.0 531 421 A 37 TRP HD1 A 33 LYS HDx 1.0 . 3.5 532 421 A 33 LYS HDy A 37 TRP HD1 1.0 . 3.5 533 422 A 36 CYS HB2 A 37 TRP H 1.0 . 5.0 534 423 A 37 TRP H A 37 TRP HA 1.0 . 3.5 535 424 A 37 TRP H A 37 TRP HBx 1.0 . 2.7 536 424 A 37 TRP HBy A 37 TRP H 1.0 . 2.7 537 425 A 37 TRP H A 37 TRP HD1 1.0 . 4.5 538 426 A 37 TRP HD1 A 37 TRP HA 1.0 . 2.7 539 427 A 37 TRP HD1 A 37 TRP HBx 1.0 . 3.5 540 427 A 37 TRP HBy A 37 TRP HD1 1.0 . 3.5 541 428 A 37 TRP HE3 A 37 TRP HBx 1.0 . 2.7 542 428 A 37 TRP HBy A 37 TRP HE3 1.0 . 2.7 543 429 A 37 TRP HA A 37 TRP HBx 1.0 . 2.7 544 429 A 37 TRP HBy A 37 TRP HA 1.0 . 2.7 545 430 A 37 TRP H A 38 LYS H 1.0 . 3.5 546 431 A 38 LYS H A 37 TRP HBx 1.0 . 4.0 547 431 A 37 TRP HBy A 38 LYS H 1.0 . 4.0 548 432 A 37 TRP H A 45 GLN HA 1.0 . 5.5 549 433 A 37 TRP H A 46 MET H 1.0 . 5.0 550 434 A 37 TRP H A 46 MET HB3 1.0 . 3.5 551 435 A 37 TRP H A 46 MET HB2 1.0 . 5.0 552 436 A 46 MET HE% A 37 TRP HE3 1.0 . 3.0 553 437 A 36 CYS HA A 38 LYS H 1.0 . 5.0 554 438 A 38 LYS H A 38 LYS HA 1.0 . 3.5 555 439 A 38 LYS H A 38 LYS HB2 1.0 . 3.2 556 440 A 38 LYS H A 38 LYS HB3 1.0 . 2.9 557 441 A 38 LYS H A 38 LYS HG2 1.0 . 5.0 558 442 A 38 LYS HA A 38 LYS HG3 1.0 . 3.7 559 443 A 38 LYS HA A 38 LYS HB2 1.0 . 3.5 560 444 A 38 LYS HB2 A 38 LYS HEx 1.0 . 5.0 561 444 A 38 LYS HEy A 38 LYS HB2 1.0 . 5.0 562 445 A 38 LYS HA A 38 LYS HB3 1.0 . 3.2 563 446 A 38 LYS HA A 38 LYS HG2 1.0 . 5.0 564 447 A 38 LYS HG2 A 38 LYS HEx 1.0 . 4.0 565 447 A 38 LYS HEy A 38 LYS HG2 1.0 . 4.0 566 448 A 38 LYS HB2 A 38 LYS HG3 1.0 . 5.0 567 449 A 38 LYS HG3 A 38 LYS HEx 1.0 . 4.0 568 449 A 38 LYS HEy A 38 LYS HG3 1.0 . 4.0 569 450 A 38 LYS HG2 A 38 LYS HEx 1.0 . 4.0 570 450 A 38 LYS HEy A 38 LYS HG2 1.0 . 4.0 571 451 A 38 LYS HG2 A 38 LYS HDx 1.0 . 3.0 572 451 A 38 LYS HDy A 38 LYS HG2 1.0 . 3.0 573 452 A 38 LYS HDx A 38 LYS HEx 1.0 . 3.5 574 452 A 38 LYS HDy A 38 LYS HEx 1.0 . 3.5 575 452 A 38 LYS HEy A 38 LYS HDx 1.0 . 3.5 576 452 A 38 LYS HDy A 38 LYS HEy 1.0 . 3.5 577 453 A 39 CYS H A 38 LYS H 1.0 . 2.7 578 454 A 39 CYS H A 38 LYS HB3 1.0 . 4.0 579 455 A 40 GLY H A 38 LYS H 1.0 . 4.5 580 456 A 38 LYS H A 46 MET HA 1.0 . 5.0 581 457 A 38 LYS H A 46 MET HB3 1.0 . 3.8 582 458 A 39 CYS H A 38 LYS HA 1.0 . 5.0 583 459 A 39 CYS H A 38 LYS HB2 1.0 . 4.0 584 460 A 38 LYS HB3 A 39 CYS HB3 1.0 . 5.0 585 461 A 39 CYS H A 39 CYS HA 1.0 . 4.0 586 462 A 39 CYS H A 39 CYS HB3 1.0 . 3.2 587 463 A 39 CYS H A 39 CYS HB2 1.0 . 4.0 588 464 A 39 CYS HB3 A 39 CYS HA 1.0 . 3.2 589 465 A 39 CYS HA A 39 CYS HB2 1.0 . 2.7 590 466 A 39 CYS H A 40 GLY H 1.0 . 2.7 591 467 A 39 CYS H A 40 GLY HA3 1.0 . 5.5 592 468 A 39 CYS HA A 41 LYS H 1.0 . 5.5 593 469 A 39 CYS H A 41 LYS H 1.0 . 5.0 594 470 A 36 CYS HB2 A 40 GLY H 1.0 . 5.0 595 471 A 40 GLY H A 39 CYS HA 1.0 . 3.5 596 472 A 40 GLY H A 39 CYS HB3 1.0 . 5.0 597 473 A 40 GLY H A 40 GLY HA3 1.0 . 3.0 598 474 A 40 GLY H A 40 GLY HA3 1.0 . 3.0 599 475 A 40 GLY H A 41 LYS H 1.0 . 3.5 600 476 A 41 LYS H A 40 GLY HA3 1.0 . 3.5 601 477 A 41 LYS H A 40 GLY HA3 1.0 . 3.5 602 478 A 36 CYS HB3 A 41 LYS H 1.0 . 3.8 603 479 A 41 LYS H A 41 LYS HA 1.0 . 3.0 604 480 A 41 LYS H A 41 LYS HBx 1.0 . 2.7 605 480 A 41 LYS H A 41 LYS HBy 1.0 . 2.7 606 481 A 41 LYS H A 41 LYS HGx 1.0 . 4.5 607 481 A 41 LYS H A 41 LYS HGy 1.0 . 4.5 608 482 A 41 LYS H A 41 LYS HDx 1.0 . 4.0 609 482 A 41 LYS H A 41 LYS HDy 1.0 . 4.0 610 483 A 41 LYS HA A 41 LYS HBx 1.0 . 2.7 611 483 A 41 LYS HA A 41 LYS HBy 1.0 . 2.7 612 484 A 41 LYS HA A 41 LYS HGx 1.0 . 3.0 613 484 A 41 LYS HA A 41 LYS HGy 1.0 . 3.0 614 485 A 41 LYS HEy A 41 LYS HGx 1.0 . 3.0 615 485 A 41 LYS HEx A 41 LYS HGx 1.0 . 3.0 616 485 A 41 LYS HGy A 41 LYS HEx 1.0 . 3.0 617 485 A 41 LYS HGy A 41 LYS HEy 1.0 . 3.0 618 486 A 41 LYS HA A 42 GLU H 1.0 . 2.9 619 487 A 42 GLU H A 41 LYS HBx 1.0 . 5.0 620 487 A 41 LYS HBy A 42 GLU H 1.0 . 5.0 621 488 A 42 GLU H A 41 LYS HGx 1.0 . 5.0 622 488 A 41 LYS HGy A 42 GLU H 1.0 . 5.0 623 489 A 35 GLY HA3 A 42 GLU HA 1.0 . 3.5 624 490 A 36 CYS H A 42 GLU HA 1.0 . 3.5 625 491 A 42 GLU HA A 42 GLU H 1.0 . 3.0 626 492 A 42 GLU H A 42 GLU HB2 1.0 . 4.0 627 493 A 42 GLU H A 42 GLU HB3 1.0 . 3.0 628 494 A 42 GLU H A 42 GLU HG3 1.0 . 5.0 629 495 A 42 GLU H A 42 GLU HG2 1.0 . 3.5 630 496 A 42 GLU HA A 42 GLU HB2 1.0 . 2.7 631 497 A 42 GLU HB2 A 42 GLU HG2 1.0 . 3.2 632 498 A 42 GLU HA A 42 GLU HB3 1.0 . 2.7 633 499 A 42 GLU HB3 A 42 GLU HG3 1.0 . 3.5 634 500 A 42 GLU HA A 42 GLU HG2 1.0 . 4.5 635 501 A 42 GLU HA A 42 GLU HG3 1.0 . 4.5 636 502 A 42 GLU HA A 43 GLY H 1.0 . 3.5 637 503 A 43 GLY H A 43 GLY HA3 1.0 . 5.0 638 504 A 43 GLY H A 43 GLY HA3 1.0 . 3.5 639 505 A 43 GLY H A 44 HIS H 1.0 . 5.0 640 506 A 43 GLY HA3 A 44 HIS H 1.0 . 3.5 641 507 A 36 CYS HB3 A 44 HIS HE1 1.0 . 5.0 642 508 A 36 CYS HB2 A 44 HIS H 1.0 . 5.0 643 509 A 36 CYS HB2 A 44 HIS HD2 1.0 . 5.0 644 510 A 41 LYS H A 44 HIS HE1 1.0 . 5.0 645 511 A 44 HIS HE1 A 41 LYS HBx 1.0 . 3.0 646 511 A 41 LYS HBy A 44 HIS HE1 1.0 . 3.0 647 512 A 44 HIS HE1 A 41 LYS HDx 1.0 . 4.5 648 512 A 41 LYS HDy A 44 HIS HE1 1.0 . 4.5 649 513 A 44 HIS HE1 A 41 LYS HEx 1.0 . 5.0 650 513 A 41 LYS HEy A 44 HIS HE1 1.0 . 5.0 651 514 A 42 GLU HA A 44 HIS H 1.0 . 5.0 652 515 A 43 GLY HA3 A 44 HIS H 1.0 . 3.7 653 516 A 44 HIS H A 44 HIS HA 1.0 . 3.0 654 517 A 44 HIS H A 44 HIS HBx 1.0 . 3.5 655 517 A 44 HIS H A 44 HIS HBy 1.0 . 3.5 656 518 A 44 HIS HD2 A 44 HIS HBx 1.0 . 2.7 657 518 A 44 HIS HD2 A 44 HIS HBy 1.0 . 2.7 658 519 A 44 HIS HA A 44 HIS HBx 1.0 . 2.7 659 519 A 44 HIS HA A 44 HIS HBy 1.0 . 2.7 660 520 A 45 GLN H A 44 HIS HBx 1.0 . 2.7 661 520 A 44 HIS HBy A 45 GLN H 1.0 . 2.7 662 521 A 44 HIS HD2 A 45 GLN HBx 1.0 . 5.0 663 521 A 44 HIS HD2 A 45 GLN HBy 1.0 . 5.0 664 522 A 46 MET HA A 44 HIS HD2 1.0 . 4.0 665 523 A 44 HIS HD2 A 49 CYS HA 1.0 . 4.0 666 524 A 44 HIS HD2 A 49 CYS HB2 1.0 . 5.0 667 525 A 44 HIS HA A 45 GLN H 1.0 . 2.7 668 526 A 44 HIS HD2 A 45 GLN H 1.0 . 5.0 669 527 A 45 GLN HA A 45 GLN H 1.0 . 3.5 670 528 A 45 GLN H A 45 GLN HBx 1.0 . 3.2 671 528 A 45 GLN H A 45 GLN HBy 1.0 . 3.2 672 529 A 45 GLN H A 45 GLN HG3 1.0 . 3.5 673 530 A 45 GLN H A 45 GLN HG2 1.0 . 5.0 674 531 A 45 GLN HA A 45 GLN HG3 1.0 . 3.2 675 532 A 45 GLN HA A 45 GLN HG2 1.0 . 2.9 676 533 A 45 GLN HA A 45 GLN HBx 1.0 . 3.5 677 533 A 45 GLN HA A 45 GLN HBy 1.0 . 3.5 678 534 A 45 GLN HG3 A 45 GLN HBx 1.0 . 2.7 679 534 A 45 GLN HBy A 45 GLN HG3 1.0 . 2.7 680 535 A 45 GLN HE22 A 45 GLN HBx 1.0 . 5.0 681 535 A 45 GLN HBy A 45 GLN HE22 1.0 . 5.0 682 536 A 45 GLN HG3 A 45 GLN HE22 1.0 . 3.5 683 537 A 45 GLN HG2 A 45 GLN HE22 1.0 . 3.5 684 538 A 45 GLN HG2 A 45 GLN HE21 1.0 . 5.0 685 539 A 45 GLN HA A 46 MET H 1.0 . 2.7 686 540 A 45 GLN HA A 47 LYS H 1.0 . 5.0 687 541 A 46 MET HE% A 25 ALA HB% 1.0 . 5.5 688 542 A 36 CYS HA A 46 MET H 1.0 . 5.0 689 543 A 46 MET H A 45 GLN HBx 1.0 . 3.5 690 543 A 46 MET H A 45 GLN HBy 1.0 . 3.5 691 544 A 46 MET H A 45 GLN HG3 1.0 . 5.0 692 545 A 46 MET H A 46 MET HA 1.0 . 3.2 693 546 A 46 MET H A 46 MET HB3 1.0 . 3.0 694 547 A 46 MET H A 46 MET HB2 1.0 . 3.5 695 548 A 46 MET HB3 A 46 MET HA 1.0 . 2.8 696 549 A 46 MET HB2 A 46 MET HA 1.0 . 3.5 697 550 A 46 MET HB2 A 46 MET HGx 1.0 . 3.2 698 550 A 46 MET HB2 A 46 MET HGy 1.0 . 3.2 699 551 A 46 MET H A 47 LYS H 1.0 . 3.5 700 552 A 46 MET HA A 47 LYS H 1.0 . 5.0 701 553 A 47 LYS H A 45 GLN HBx 1.0 . 4.0 702 553 A 45 GLN HBy A 47 LYS H 1.0 . 4.0 703 554 A 47 LYS H A 47 LYS HA 1.0 . 2.9 704 555 A 47 LYS H A 47 LYS HB2 1.0 . 3.7 705 556 A 47 LYS H A 47 LYS HB3 1.0 . 3.0 706 557 A 47 LYS H A 47 LYS HG2 1.0 . 3.2 707 558 A 47 LYS HA A 47 LYS HB2 1.0 . 2.9 708 559 A 47 LYS HA A 47 LYS HB3 1.0 . 2.9 709 560 A 47 LYS HA A 47 LYS HG3 1.0 . 4.0 710 561 A 47 LYS HB3 A 47 LYS HG3 1.0 . 3.2 711 562 A 47 LYS H A 47 LYS HG3 1.0 . 3.7 712 563 A 47 LYS HB2 A 47 LYS HG3 1.0 . 3.0 713 564 A 47 LYS HG3 A 47 LYS HD2 1.0 . 3.5 714 565 A 47 LYS HB2 A 47 LYS HG2 1.0 . 4.5 715 566 A 47 LYS HG2 A 47 LYS HD2 1.0 . 3.0 716 567 A 47 LYS HG2 A 47 LYS HEy 1.0 . 5.0 717 568 A 47 LYS HEy A 47 LYS HD3 1.0 . 3.2 718 569 A 47 LYS HD2 A 47 LYS HEx 1.0 . 2.7 719 570 A 47 LYS HG2 A 47 LYS HEx 1.0 . 3.5 720 571 A 47 LYS HD2 A 47 LYS HEy 1.0 . 3.0 721 572 A 47 LYS HA A 48 ASP H 1.0 . 3.5 722 573 A 48 ASP HB3 A 44 HIS HBx 1.0 . 4.0 723 573 A 44 HIS HBy A 48 ASP HB3 1.0 . 4.0 724 574 A 45 GLN H A 48 ASP HB3 1.0 . 3.5 725 575 A 48 ASP H A 45 GLN HBx 1.0 . 5.5 726 575 A 45 GLN HBy A 48 ASP H 1.0 . 5.5 727 576 A 46 MET HA A 48 ASP H 1.0 . 5.0 728 577 A 47 LYS HB2 A 48 ASP H 1.0 . 5.0 729 578 A 47 LYS HB3 A 48 ASP H 1.0 . 4.5 730 579 A 47 LYS HG3 A 48 ASP H 1.0 . 3.0 731 580 A 47 LYS HG2 A 48 ASP H 1.0 . 5.0 732 581 A 48 ASP H A 48 ASP HA 1.0 . 3.0 733 582 A 48 ASP H A 48 ASP HB2 1.0 . 3.5 734 583 A 48 ASP H A 48 ASP HB3 1.0 . 2.7 735 584 A 48 ASP HA A 48 ASP HB2 1.0 . 2.7 736 585 A 48 ASP HB3 A 48 ASP HA 1.0 . 3.5 737 586 A 48 ASP H A 49 CYS H 1.0 . 2.7 738 587 A 48 ASP HB2 A 49 CYS H 1.0 . 5.0 739 588 A 48 ASP HB3 A 49 CYS H 1.0 . 3.5 740 589 A 44 HIS HD2 A 49 CYS H 1.0 . 5.0 741 590 A 46 MET HA A 49 CYS HB3 1.0 . 3.0 742 591 A 46 MET HA A 49 CYS HB2 1.0 . 4.0 743 592 A 46 MET HA A 49 CYS H 1.0 . 4.5 744 593 A 47 LYS HA A 49 CYS H 1.0 . 5.5 745 594 A 48 ASP HA A 49 CYS H 1.0 . 4.5 746 595 A 49 CYS HA A 49 CYS H 1.0 . 4.0 747 596 A 49 CYS HB2 A 49 CYS H 1.0 . 2.7 748 597 A 49 CYS H A 49 CYS HB3 1.0 . 3.0 749 598 A 49 CYS HA A 49 CYS HB2 1.0 . 2.7 750 599 A 49 CYS HA A 49 CYS HB3 1.0 . 3.5 751 600 A 49 CYS HA A 50 THR H 1.0 . 2.7 752 601 A 49 CYS HB3 A 50 THR H 1.0 . 5.0 753 602 A 50 THR H A 50 THR HA 1.0 . 3.0 754 603 A 50 THR H A 50 THR HB 1.0 . 5.0 755 604 A 50 THR H A 50 THR HG2% 1.0 . 4.0 756 605 A 50 THR HA A 50 THR HG2% 1.0 . 2.7 757 606 A 50 THR HB A 50 THR HG2% 1.0 . 2.7 758 607 A 49 CYS HA A 51 GLU H 1.0 . 5.0 759 608 A 50 THR H A 51 GLU H 1.0 . 3.5 760 609 A 50 THR HA A 51 GLU H 1.0 . 3.5 761 610 A 50 THR HG2% A 51 GLU H 1.0 . 5.0 762 611 A 51 GLU H A 51 GLU HA 1.0 . 3.0 763 612 A 51 GLU H A 51 GLU HBx 1.0 . 3.0 764 613 A 51 GLU H A 51 GLU HBy 1.0 . 4.0 765 614 A 51 GLU H A 51 GLU HGx 1.0 . 5.0 766 615 A 51 GLU H A 51 GLU HGy 1.0 . 3.5 767 616 A 51 GLU HA A 51 GLU HBy 1.0 . 3.5 768 617 A 51 GLU HBy A 51 GLU HGx 1.0 . 2.7 769 618 A 51 GLU HBy A 51 GLU HGy 1.0 . 3.5 770 619 A 51 GLU HA A 51 GLU HBx 1.0 . 2.7 771 620 A 51 GLU HBx A 51 GLU HGx 1.0 . 3.5 772 621 A 51 GLU HBx A 51 GLU HGy 1.0 . 3.0 773 622 A 51 GLU HA A 52 ARG H 1.0 . 2.7 774 623 A 51 GLU H A 52 ARG H 1.0 . 5.0 775 624 A 51 GLU HBy A 52 ARG H 1.0 . 3.5 776 625 A 52 ARG H A 52 ARG HBx 1.0 . 2.7 777 625 A 52 ARG H A 52 ARG HBy 1.0 . 2.7 778 626 A 52 ARG H A 52 ARG HGx 1.0 . 4.0 779 626 A 52 ARG H A 52 ARG HGy 1.0 . 4.0 780 627 A 52 ARG HA A 52 ARG HBx 1.0 . 2.7 781 627 A 52 ARG HBy A 52 ARG HA 1.0 . 2.7 782 628 A 52 ARG HDy A 52 ARG HGx 1.0 . 2.7 783 628 A 52 ARG HDx A 52 ARG HGx 1.0 . 2.7 784 628 A 52 ARG HGy A 52 ARG HDx 1.0 . 2.7 785 628 A 52 ARG HGy A 52 ARG HDy 1.0 . 2.7 786 629 A 53 GLN H A 53 GLN HA 1.0 . 3.0 787 630 A 53 GLN H A 53 GLN HBy 1.0 . 3.5 788 631 A 53 GLN H A 53 GLN HBx 1.0 . 4.5 789 632 A 53 GLN HA A 53 GLN HGx 1.0 . 2.7 790 632 A 53 GLN HA A 53 GLN HGy 1.0 . 2.7 791 633 A 53 GLN HA A 53 GLN HBx 1.0 . 2.7 792 634 A 53 GLN HA A 53 GLN HBy 1.0 . 3.5 793 635 A 53 GLN HBy A 54 ALA H 1.0 . 5.0 794 636 A 53 GLN HA A 54 ALA H 1.0 . 5.0 795 637 A 54 ALA H A 54 ALA HA 1.0 . 3.5 796 638 A 54 ALA H A 54 ALA HB% 1.0 . 5.0 797 639 A 54 ALA HA A 54 ALA HB% 1.0 . 2.7 798 640 A 54 ALA HA A 55 ASN H 1.0 . 3.5 799 641 A 55 ASN H A 55 ASN HA 1.0 . 3.5 800 642 A 55 ASN HA A 55 ASN HBy 1.0 . 2.7 801 643 A 55 ASN HBy A 55 ASN HD2y 1.0 . 5.0 802 644 A 55 ASN HA A 55 ASN HBx 1.0 . 3.0 803 645 A 16 PHE HD% 4 1 1HF H4 1.0 . 5.5 804 646 A 16 PHE HEy 4 1 1HF H4 1.0 . 5.5 805 647 A 24 ILE HG2% 4 1 1HF H4 1.0 . 5.0 806 648 A 24 ILE HD1% 4 1 1HF H4 1.0 . 5.0 807 649 A 9 GLN HE2y 4 1 1HF H6 1.0 . 5.0 808 650 A 13 VAL HB 4 1 1HF H6 1.0 . 5.0 809 651 A 13 VAL HG2% 4 1 1HF H6 1.0 . 4.5 810 652 A 13 VAL HG1% 4 1 1HF H6 1.0 . 5.5 811 653 A 13 VAL HA 4 1 1HF H7 1.0 . 4.0 812 654 A 13 VAL HB 4 1 1HF H7 1.0 . 5.0 813 655 A 13 VAL HG2% 4 1 1HF H7 1.0 . 4.5 814 656 A 13 VAL HG1% 4 1 1HF H7 1.0 . 5.0 815 657 A 14 LYS HA 4 1 1HF H7 1.0 . 5.0 816 658 A 13 VAL HG2% 4 1 1HF H1 1.0 . 5.0 817 659 A 14 LYS H 4 1 1HF H1 1.0 . 5.0 818 660 A 15 CYS HA 4 1 1HF H1 1.0 . 3.5 819 661 A 16 PHE H 4 1 1HF H1 1.0 . 3.5 820 662 A 16 PHE HB2 4 1 1HF H1 1.0 . 5.0 821 663 A 24 ILE HG2% 4 1 1HF H1 1.0 . 5.0 822 664 A 25 ALA H 4 1 1HF H1 1.0 . 5.0 823 665 4 1 1HF H9 A 26 LYS HBx 1.0 . 5.0 824 665 A 26 LYS HBy 4 1 1HF H9 1.0 . 5.0 825 666 4 1 1HF H9 A 26 LYS HGx 1.0 . 5.0 826 666 A 26 LYS HGy 4 1 1HF H9 1.0 . 5.0 827 667 4 1 1HF H9 A 26 LYS HDx 1.0 . 3.5 828 667 A 26 LYS HDy 4 1 1HF H9 1.0 . 3.5 829 668 4 1 1HF H9 A 26 LYS HEx 1.0 . 5.0 830 668 A 26 LYS HEy 4 1 1HF H9 1.0 . 5.0 831 669 A 25 ALA HB% 4 1 1HF H12 1.0 . 3.5 832 670 A 26 LYS HA 4 1 1HF H12 1.0 . 3.5 833 671 4 1 1HF H12 A 26 LYS HBx 1.0 . 5.0 834 671 A 26 LYS HBy 4 1 1HF H12 1.0 . 5.0 835 672 4 1 1HF H12 A 26 LYS HGx 1.0 . 5.0 836 672 A 26 LYS HGy 4 1 1HF H12 1.0 . 5.0 837 673 A 28 CYS HB3 4 1 1HF H12 1.0 . 5.0 838 674 A 37 TRP HH2 4 1 1HF H12 1.0 . 3.0 839 675 A 26 LYS HA 4 1 1HF H11 1.0 . 4.5 840 676 A 25 ALA HB% 4 1 1HF H10 1.0 . 6.0 841 677 A 26 LYS HA 4 1 1HF H10 1.0 . 4.5 842 678 4 1 1HF H10 A 26 LYS HBx 1.0 . 5.0 843 678 A 26 LYS HBy 4 1 1HF H10 1.0 . 5.0 844 679 4 1 1HF H10 A 26 LYS HGx 1.0 . 5.0 845 679 A 26 LYS HGy 4 1 1HF H10 1.0 . 5.0 846 680 4 1 1HF H10 A 26 LYS HDx 1.0 . 5.0 847 680 A 26 LYS HDy 4 1 1HF H10 1.0 . 5.0 848 681 4 1 1HF H9 4 1 1HF H10 1.0 . 3.0 849 682 5 1 1HF H4 A 45 GLN HBx 1.0 . 5.0 850 682 A 45 GLN HBy 5 1 1HF H4 1.0 . 5.0 851 683 A 45 GLN HG2 5 1 1HF H4 1.0 . 3.5 852 684 A 45 GLN HG3 5 1 1HF H4 1.0 . 5.0 853 685 A 32 ARG HD2 5 1 1HF H4 1.0 . 5.0 854 686 A 32 ARG HD3 5 1 1HF H4 1.0 . 5.0 855 687 A 37 TRP HH2 5 1 1HF H4 1.0 . 4.0 856 688 A 37 TRP HZ2 5 1 1HF H4 1.0 . 5.0 857 689 A 32 ARG HA 5 1 1HF H6 1.0 . 5.0 858 690 A 32 ARG HB2 5 1 1HF H6 1.0 . 3.5 859 691 A 32 ARG HB3 5 1 1HF H6 1.0 . 3.5 860 692 A 37 TRP HZ2 5 1 1HF H6 1.0 . 5.0 861 693 A 32 ARG HA 5 1 1HF H7 1.0 . 4.0 862 694 A 33 LYS HGx 5 1 1HF H7 1.0 . 5.0 863 695 A 35 GLY H 5 1 1HF H7 1.0 . 3.5 864 696 A 37 TRP HE1 5 1 1HF H7 1.0 . 5.0 865 697 A 37 TRP H 5 1 1HF H1 1.0 . 3.5 866 698 A 37 TRP HA 5 1 1HF H1 1.0 . 5.0 867 699 A 37 TRP HD1 5 1 1HF H1 1.0 . 5.0 868 700 A 36 CYS HA 5 1 1HF H1 1.0 . 3.5 869 701 5 1 1HF H9 A 26 LYS HEx 1.0 . 5.5 870 701 A 26 LYS HEy 5 1 1HF H9 1.0 . 5.5 871 702 A 47 LYS HB3 5 1 1HF H9 1.0 . 3.7 872 703 A 47 LYS HD3 5 1 1HF H9 1.0 . 4.5 873 704 A 47 LYS HG2 5 1 1HF H9 1.0 . 5.0 874 705 A 47 LYS HB2 5 1 1HF H9 1.0 . 5.0 875 706 A 38 LYS HB3 5 1 1HF H12 1.0 . 5.5 876 707 5 1 1HF H12 A 38 LYS HDx 1.0 . 5.0 877 707 A 38 LYS HDy 5 1 1HF H12 1.0 . 5.0 878 708 A 47 LYS HB3 5 1 1HF H12 1.0 . 5.0 879 709 A 47 LYS HB2 5 1 1HF H12 1.0 . 5.0 880 710 A 47 LYS HG2 5 1 1HF H12 1.0 . 5.0 881 711 A 46 MET HB2 5 1 1HF H12 1.0 . 5.0 882 712 A 47 LYS HB3 5 1 1HF H10 1.0 . 5.0 883 713 A 47 LYS HG2 5 1 1HF H10 1.0 . 5.0 884 714 5 1 1HF H9 5 1 1HF H10 1.0 . 3.0 stop_ save_