data_nef_c34170_5oqs 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5OQS 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 7 CYS SG 1 35 CYS SG 1 14 CYS SG 1 42 CYS SG 1 14 CYS SG 1 27 CYS SG 1 14 CYS SG 1 53 CYS SG 1 27 CYS SG 1 53 CYS SG 1 42 CYS SG 1 53 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 LEU start . . 2 A 2 GLU middle . . 3 A 3 TYR middle . . 4 A 4 LYS middle . . 5 A 5 GLY middle . false 6 A 6 GLU middle . . 7 A 7 CYS middle -HG . 8 A 8 PHE middle . . 9 A 9 THR middle . . 10 A 10 LYS middle . . 11 A 11 ASP middle . . 12 A 12 ASN middle . . 13 A 13 THR middle . . 14 A 14 CYS middle -HG . 15 A 15 LYS middle . . 16 A 16 TYR middle . . 17 A 17 LYS middle . . 18 A 18 ILE middle . . 19 A 19 ASP middle . . 20 A 20 GLY middle . false 21 A 21 LYS middle . . 22 A 22 THR middle . . 23 A 23 TYR middle . . 24 A 24 LEU middle . . 25 A 25 ALA middle . . 26 A 26 LYS middle . . 27 A 27 CYS middle -HG . 28 A 28 PRO middle . false 29 A 29 SER middle . . 30 A 30 ALA middle . . 31 A 31 ALA middle . . 32 A 32 ASN middle . . 33 A 33 THR middle . . 34 A 34 LYS middle . . 35 A 35 CYS middle -HG . 36 A 36 GLU middle . . 37 A 37 LYS middle . . 38 A 38 ASP middle . . 39 A 39 GLY middle . false 40 A 40 ASN middle . . 41 A 41 LYS middle . . 42 A 42 CYS middle -HG . 43 A 43 THR middle . . 44 A 44 TYR middle . . 45 A 45 ASP middle . . 46 A 46 SER middle . . 47 A 47 TYR middle . . 48 A 48 ASN middle . . 49 A 49 ARG middle . . 50 A 50 LYS middle . . 51 A 51 VAL middle . . 52 A 52 LYS middle . . 53 A 53 CYS middle -HG . 54 A 54 ASP middle . . 55 A 55 PHE middle . . 56 A 56 ARG middle . . 57 A 57 HIS end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 GLU H H 1 8.310 0.020 A 2 GLU HA H 1 4.814 0.020 A 2 GLU HB2 H 1 1.789 0.020 A 2 GLU HB3 H 1 1.789 0.020 A 2 GLU HGy H 1 2.021 0.020 A 2 GLU HGx H 1 1.848 0.020 A 2 GLU C C 13 174.943 0.300 A 2 GLU CA C 13 55.348 0.300 A 2 GLU CB C 13 31.373 0.300 A 2 GLU CG C 13 37.377 0.300 A 2 GLU N N 15 122.838 0.300 A 3 TYR H H 1 9.236 0.020 A 3 TYR HA H 1 4.675 0.020 A 3 TYR HBy H 1 3.191 0.020 A 3 TYR HBx H 1 2.580 0.020 A 3 TYR HD1 H 1 7.194 0.020 A 3 TYR HD2 H 1 7.194 0.020 A 3 TYR HE1 H 1 6.772 0.020 A 3 TYR HE2 H 1 6.772 0.020 A 3 TYR C C 13 174.781 0.300 A 3 TYR CA C 13 57.724 0.300 A 3 TYR CB C 13 40.388 0.300 A 3 TYR N N 15 126.392 0.300 A 4 LYS H H 1 8.813 0.020 A 4 LYS HA H 1 4.898 0.020 A 4 LYS HBy H 1 1.922 0.020 A 4 LYS HBx H 1 1.857 0.020 A 4 LYS HD2 H 1 1.646 0.020 A 4 LYS HD3 H 1 1.646 0.020 A 4 LYS HGy H 1 1.476 0.020 A 4 LYS HGx H 1 1.436 0.020 A 4 LYS C C 13 176.387 0.300 A 4 LYS CA C 13 55.908 0.300 A 4 LYS CB C 13 34.035 0.300 A 4 LYS CD C 13 29.521 0.300 A 4 LYS CE C 13 41.809 0.300 A 4 LYS CG C 13 25.202 0.300 A 4 LYS N N 15 122.391 0.300 A 5 GLY H H 1 8.954 0.020 A 5 GLY HAy H 1 4.656 0.020 A 5 GLY HAx H 1 4.174 0.020 A 5 GLY C C 13 173.751 0.300 A 5 GLY CA C 13 45.343 0.300 A 5 GLY N N 15 112.850 0.300 A 6 GLU H H 1 8.456 0.020 A 6 GLU HA H 1 5.182 0.020 A 6 GLU HBy H 1 1.855 0.020 A 6 GLU HBx H 1 1.612 0.020 A 6 GLU HG2 H 1 2.194 0.020 A 6 GLU HG3 H 1 2.194 0.020 A 6 GLU C C 13 174.770 0.300 A 6 GLU CA C 13 53.806 0.300 A 6 GLU CB C 13 34.339 0.300 A 6 GLU CG C 13 35.920 0.300 A 6 GLU N N 15 121.309 0.300 A 7 CYS H H 1 9.405 0.020 A 7 CYS HA H 1 6.300 0.020 A 7 CYS HBy H 1 3.500 0.020 A 7 CYS HBx H 1 2.750 0.020 A 7 CYS C C 13 170.626 0.300 A 7 CYS CA C 13 51.965 0.300 A 7 CYS CB C 13 43.585 0.300 A 7 CYS N N 15 120.208 0.300 A 8 PHE H H 1 8.806 0.020 A 8 PHE HA H 1 4.842 0.020 A 8 PHE HBy H 1 3.308 0.020 A 8 PHE HBx H 1 2.892 0.020 A 8 PHE HD1 H 1 7.185 0.020 A 8 PHE HD2 H 1 7.185 0.020 A 8 PHE C C 13 176.683 0.300 A 8 PHE CA C 13 57.340 0.300 A 8 PHE CB C 13 42.226 0.300 A 8 PHE N N 15 117.890 0.300 A 9 THR H H 1 9.059 0.020 A 9 THR HA H 1 4.051 0.020 A 9 THR HB H 1 4.119 0.020 A 9 THR HG2% H 1 0.965 0.020 A 9 THR C C 13 177.900 0.300 A 9 THR CA C 13 64.132 0.300 A 9 THR CB C 13 69.740 0.300 A 9 THR CG2 C 13 21.679 0.300 A 9 THR N N 15 113.927 0.300 A 10 LYS H H 1 9.099 0.020 A 10 LYS HA H 1 4.007 0.020 A 10 LYS HBy H 1 1.951 0.020 A 10 LYS HBx H 1 1.695 0.020 A 10 LYS HD2 H 1 1.652 0.020 A 10 LYS HD3 H 1 1.652 0.020 A 10 LYS HGy H 1 1.364 0.020 A 10 LYS HGx H 1 1.324 0.020 A 10 LYS C C 13 177.197 0.300 A 10 LYS CA C 13 60.036 0.300 A 10 LYS CB C 13 31.445 0.300 A 10 LYS CD C 13 29.032 0.300 A 10 LYS CE C 13 41.998 0.300 A 10 LYS CG C 13 24.374 0.300 A 10 LYS N N 15 125.469 0.300 A 11 ASP H H 1 7.807 0.020 A 11 ASP HA H 1 4.677 0.020 A 11 ASP HBy H 1 2.714 0.020 A 11 ASP HBx H 1 2.520 0.020 A 11 ASP C C 13 176.226 0.300 A 11 ASP CA C 13 51.984 0.300 A 11 ASP CB C 13 40.917 0.300 A 11 ASP N N 15 112.993 0.300 A 12 ASN H H 1 7.690 0.020 A 12 ASN HA H 1 4.695 0.020 A 12 ASN HBy H 1 3.265 0.020 A 12 ASN HBx H 1 2.338 0.020 A 12 ASN HD21 H 1 6.549 0.020 A 12 ASN HD22 H 1 7.289 0.020 A 12 ASN C C 13 174.282 0.300 A 12 ASN CA C 13 53.787 0.300 A 12 ASN CB C 13 37.529 0.300 A 12 ASN N N 15 121.005 0.300 A 12 ASN ND2 N 15 114.010 0.300 A 13 THR H H 1 7.857 0.020 A 13 THR HA H 1 4.879 0.020 A 13 THR HB H 1 3.923 0.020 A 13 THR HG2% H 1 1.026 0.020 A 13 THR C C 13 172.821 0.300 A 13 THR CA C 13 60.492 0.300 A 13 THR CB C 13 72.489 0.300 A 13 THR CG2 C 13 22.056 0.300 A 13 THR N N 15 108.391 0.300 A 14 CYS H H 1 9.460 0.020 A 14 CYS HA H 1 4.886 0.020 A 14 CYS HBy H 1 2.777 0.020 A 14 CYS HBx H 1 2.726 0.020 A 14 CYS C C 13 172.357 0.300 A 14 CYS CA C 13 53.768 0.300 A 14 CYS CB C 13 42.471 0.300 A 14 CYS N N 15 120.402 0.300 A 15 LYS H H 1 9.337 0.020 A 15 LYS HA H 1 5.351 0.020 A 15 LYS HBy H 1 2.073 0.020 A 15 LYS HBx H 1 1.832 0.020 A 15 LYS HD2 H 1 1.587 0.020 A 15 LYS HD3 H 1 1.587 0.020 A 15 LYS HEy H 1 2.911 0.020 A 15 LYS HEx H 1 2.748 0.020 A 15 LYS HGy H 1 1.397 0.020 A 15 LYS HGx H 1 1.147 0.020 A 15 LYS C C 13 175.305 0.300 A 15 LYS CA C 13 55.064 0.300 A 15 LYS CB C 13 33.973 0.300 A 15 LYS CD C 13 29.680 0.300 A 15 LYS CE C 13 41.873 0.300 A 15 LYS CG C 13 25.152 0.300 A 15 LYS N N 15 130.983 0.300 A 16 TYR H H 1 8.770 0.020 A 16 TYR HA H 1 5.207 0.020 A 16 TYR HBy H 1 2.798 0.020 A 16 TYR HBx H 1 2.588 0.020 A 16 TYR HD1 H 1 6.496 0.020 A 16 TYR HD2 H 1 6.496 0.020 A 16 TYR HE1 H 1 5.760 0.020 A 16 TYR HE2 H 1 5.760 0.020 A 16 TYR C C 13 171.944 0.300 A 16 TYR CA C 13 55.219 0.300 A 16 TYR CB C 13 40.732 0.300 A 16 TYR N N 15 125.913 0.300 A 17 LYS H H 1 8.236 0.020 A 17 LYS HA H 1 5.500 0.020 A 17 LYS HBy H 1 1.672 0.020 A 17 LYS HBx H 1 1.449 0.020 A 17 LYS HD2 H 1 1.501 0.020 A 17 LYS HD3 H 1 1.501 0.020 A 17 LYS HEy H 1 2.522 0.020 A 17 LYS HEx H 1 1.984 0.020 A 17 LYS HGy H 1 1.261 0.020 A 17 LYS HGx H 1 1.149 0.020 A 17 LYS C C 13 176.923 0.300 A 17 LYS CA C 13 54.364 0.300 A 17 LYS CB C 13 36.424 0.300 A 17 LYS CD C 13 29.701 0.300 A 17 LYS CE C 13 41.943 0.300 A 17 LYS CG C 13 25.096 0.300 A 17 LYS N N 15 118.313 0.300 A 18 ILE H H 1 8.474 0.020 A 18 ILE HA H 1 4.062 0.020 A 18 ILE HB H 1 1.595 0.020 A 18 ILE HD1% H 1 0.189 0.020 A 18 ILE HG1y H 1 1.009 0.020 A 18 ILE HG1x H 1 -0.100 0.020 A 18 ILE HG2% H 1 0.711 0.020 A 18 ILE C C 13 177.051 0.300 A 18 ILE CA C 13 61.730 0.300 A 18 ILE CB C 13 39.923 0.300 A 18 ILE CD1 C 13 13.783 0.300 A 18 ILE CG1 C 13 25.402 0.300 A 18 ILE CG2 C 13 16.696 0.300 A 18 ILE N N 15 118.975 0.300 A 19 ASP H H 1 9.574 0.020 A 19 ASP HA H 1 4.279 0.020 A 19 ASP HBy H 1 2.975 0.020 A 19 ASP HBx H 1 2.616 0.020 A 19 ASP CA C 13 55.413 0.300 A 19 ASP CB C 13 39.652 0.300 A 19 ASP N N 15 130.321 0.300 A 20 GLY H H 1 8.583 0.020 A 20 GLY HAy H 1 4.154 0.020 A 20 GLY HAx H 1 3.557 0.020 A 20 GLY C C 13 173.495 0.300 A 20 GLY CA C 13 45.318 0.300 A 20 GLY N N 15 103.267 0.300 A 21 LYS H H 1 7.840 0.020 A 21 LYS HA H 1 4.403 0.020 A 21 LYS HBy H 1 1.700 0.020 A 21 LYS HBx H 1 1.603 0.020 A 21 LYS HD2 H 1 1.601 0.020 A 21 LYS HD3 H 1 1.601 0.020 A 21 LYS HE2 H 1 2.825 0.020 A 21 LYS HE3 H 1 2.825 0.020 A 21 LYS HGy H 1 1.307 0.020 A 21 LYS HGx H 1 1.061 0.020 A 21 LYS C C 13 174.548 0.300 A 21 LYS CA C 13 54.776 0.300 A 21 LYS CB C 13 34.175 0.300 A 21 LYS CD C 13 29.032 0.300 A 21 LYS CE C 13 42.024 0.300 A 21 LYS CG C 13 24.892 0.300 A 21 LYS N N 15 123.439 0.300 A 22 THR H H 1 8.190 0.020 A 22 THR HA H 1 4.257 0.020 A 22 THR HB H 1 3.691 0.020 A 22 THR HG2% H 1 0.904 0.020 A 22 THR C C 13 173.036 0.300 A 22 THR CA C 13 63.248 0.300 A 22 THR CB C 13 69.139 0.300 A 22 THR CG2 C 13 22.421 0.300 A 22 THR N N 15 119.144 0.300 A 23 TYR H H 1 8.901 0.020 A 23 TYR HA H 1 4.148 0.020 A 23 TYR HBy H 1 2.288 0.020 A 23 TYR HBx H 1 1.069 0.020 A 23 TYR HD1 H 1 6.743 0.020 A 23 TYR HD2 H 1 6.743 0.020 A 23 TYR HE1 H 1 6.604 0.020 A 23 TYR HE2 H 1 6.604 0.020 A 23 TYR C C 13 172.444 0.300 A 23 TYR CA C 13 56.688 0.300 A 23 TYR CB C 13 41.226 0.300 A 23 TYR N N 15 127.281 0.300 A 24 LEU H H 1 7.997 0.020 A 24 LEU HA H 1 5.201 0.020 A 24 LEU HBy H 1 1.512 0.020 A 24 LEU HBx H 1 1.242 0.020 A 24 LEU HD1% H 1 0.768 0.020 A 24 LEU C C 13 177.062 0.300 A 24 LEU CA C 13 53.196 0.300 A 24 LEU CB C 13 45.077 0.300 A 24 LEU CD1 C 13 24.225 0.300 A 24 LEU CG C 13 27.340 0.300 A 24 LEU N N 15 117.718 0.300 A 25 ALA H H 1 9.016 0.020 A 25 ALA HA H 1 4.730 0.020 A 25 ALA HB% H 1 1.326 0.020 A 25 ALA C C 13 175.988 0.300 A 25 ALA CA C 13 50.256 0.300 A 25 ALA CB C 13 23.449 0.300 A 25 ALA N N 15 125.536 0.300 A 26 LYS H H 1 8.794 0.020 A 26 LYS HA H 1 4.278 0.020 A 26 LYS HBx H 1 1.703 0.020 A 26 LYS HBy H 1 1.914 0.020 A 26 LYS HD2 H 1 1.709 0.020 A 26 LYS HD3 H 1 1.709 0.020 A 26 LYS HE2 H 1 2.901 0.020 A 26 LYS HE3 H 1 2.901 0.020 A 26 LYS C C 13 177.117 0.300 A 26 LYS CA C 13 57.059 0.300 A 26 LYS CB C 13 32.489 0.300 A 26 LYS CD C 13 28.831 0.300 A 26 LYS CE C 13 41.876 0.300 A 26 LYS CG C 13 24.701 0.300 A 26 LYS N N 15 122.397 0.300 A 27 CYS H H 1 8.668 0.020 A 27 CYS HA H 1 4.555 0.020 A 27 CYS HBx H 1 2.814 0.020 A 27 CYS HBy H 1 2.981 0.020 A 27 CYS C C 13 171.697 0.300 A 27 CYS CA C 13 55.178 0.300 A 27 CYS CB C 13 39.052 0.300 A 27 CYS N N 15 120.973 0.300 A 28 PRO HA H 1 4.451 0.020 A 28 PRO HBy H 1 2.334 0.020 A 28 PRO HBx H 1 1.954 0.020 A 28 PRO HDy H 1 3.700 0.020 A 28 PRO HDx H 1 3.476 0.020 A 28 PRO HGy H 1 2.285 0.020 A 28 PRO HGx H 1 2.030 0.020 A 28 PRO C C 13 175.669 0.300 A 28 PRO CA C 13 63.449 0.300 A 28 PRO CB C 13 31.368 0.300 A 28 PRO CD C 13 50.249 0.300 A 28 PRO CG C 13 28.927 0.300 A 29 SER H H 1 8.281 0.020 A 29 SER HA H 1 4.222 0.020 A 29 SER HBy H 1 3.900 0.020 A 29 SER HBx H 1 3.795 0.020 A 29 SER C C 13 174.708 0.300 A 29 SER CA C 13 58.395 0.300 A 29 SER CB C 13 64.472 0.300 A 29 SER N N 15 112.615 0.300 A 30 ALA H H 1 6.999 0.020 A 30 ALA HA H 1 4.252 0.020 A 30 ALA HB% H 1 1.457 0.020 A 30 ALA C C 13 177.638 0.300 A 30 ALA CA C 13 52.108 0.300 A 30 ALA CB C 13 19.079 0.300 A 30 ALA N N 15 124.104 0.300 A 31 ALA H H 1 8.619 0.020 A 31 ALA HA H 1 3.863 0.020 A 31 ALA HB% H 1 1.355 0.020 A 31 ALA C C 13 178.362 0.300 A 31 ALA CA C 13 54.995 0.300 A 31 ALA CB C 13 18.305 0.300 A 31 ALA N N 15 122.864 0.300 A 32 ASN H H 1 8.470 0.020 A 32 ASN HA H 1 4.528 0.020 A 32 ASN HBy H 1 2.894 0.020 A 32 ASN HBx H 1 2.697 0.020 A 32 ASN HD21 H 1 7.535 0.020 A 32 ASN HD22 H 1 6.808 0.020 A 32 ASN C C 13 175.335 0.300 A 32 ASN CA C 13 53.751 0.300 A 32 ASN CB C 13 37.606 0.300 A 32 ASN N N 15 110.399 0.300 A 32 ASN ND2 N 15 112.784 0.300 A 33 THR H H 1 7.493 0.020 A 33 THR HA H 1 4.450 0.020 A 33 THR HB H 1 4.202 0.020 A 33 THR HG1 H 1 5.116 0.020 A 33 THR HG2% H 1 0.827 0.020 A 33 THR C C 13 173.675 0.300 A 33 THR CA C 13 60.936 0.300 A 33 THR CB C 13 69.777 0.300 A 33 THR CG2 C 13 22.315 0.300 A 33 THR N N 15 107.268 0.300 A 34 LYS H H 1 7.116 0.020 A 34 LYS HA H 1 4.578 0.020 A 34 LYS HB2 H 1 1.827 0.020 A 34 LYS HB3 H 1 1.827 0.020 A 34 LYS HGy H 1 1.364 0.020 A 34 LYS HGx H 1 0.906 0.020 A 34 LYS C C 13 174.928 0.300 A 34 LYS CA C 13 55.038 0.300 A 34 LYS CB C 13 32.951 0.300 A 34 LYS CD C 13 29.300 0.300 A 34 LYS CE C 13 41.961 0.300 A 34 LYS CG C 13 22.799 0.300 A 34 LYS N N 15 119.063 0.300 A 35 CYS H H 1 8.179 0.020 A 35 CYS HA H 1 4.360 0.020 A 35 CYS HBx H 1 2.885 0.020 A 35 CYS HBy H 1 3.254 0.020 A 35 CYS C C 13 176.052 0.300 A 35 CYS CA C 13 57.052 0.300 A 35 CYS CB C 13 39.919 0.300 A 35 CYS N N 15 115.872 0.300 A 36 GLU H H 1 9.557 0.020 A 36 GLU HA H 1 4.116 0.020 A 36 GLU HB2 H 1 1.939 0.020 A 36 GLU HB3 H 1 1.939 0.020 A 36 GLU HGy H 1 2.358 0.020 A 36 GLU HGx H 1 2.195 0.020 A 36 GLU C C 13 175.718 0.300 A 36 GLU CA C 13 57.836 0.300 A 36 GLU CB C 13 31.436 0.300 A 36 GLU CG C 13 36.458 0.300 A 36 GLU N N 15 130.469 0.300 A 37 LYS H H 1 6.946 0.020 A 37 LYS HA H 1 4.218 0.020 A 37 LYS HB2 H 1 1.574 0.020 A 37 LYS HB3 H 1 1.574 0.020 A 37 LYS HD2 H 1 1.638 0.020 A 37 LYS HD3 H 1 1.638 0.020 A 37 LYS HG2 H 1 1.349 0.020 A 37 LYS HG3 H 1 1.349 0.020 A 37 LYS C C 13 173.101 0.300 A 37 LYS CA C 13 55.249 0.300 A 37 LYS CB C 13 35.483 0.300 A 37 LYS CD C 13 29.294 0.300 A 37 LYS CE C 13 42.099 0.300 A 37 LYS CG C 13 24.526 0.300 A 37 LYS N N 15 117.809 0.300 A 38 ASP H H 1 8.599 0.020 A 38 ASP HA H 1 4.616 0.020 A 38 ASP HBy H 1 2.682 0.020 A 38 ASP HBx H 1 2.574 0.020 A 38 ASP C C 13 177.977 0.300 A 38 ASP CA C 13 55.501 0.300 A 38 ASP CB C 13 40.315 0.300 A 38 ASP N N 15 125.156 0.300 A 39 GLY H H 1 8.954 0.020 A 39 GLY HAy H 1 4.222 0.020 A 39 GLY HAx H 1 3.402 0.020 A 39 GLY C C 13 173.966 0.300 A 39 GLY CA C 13 44.695 0.300 A 39 GLY N N 15 111.805 0.300 A 40 ASN H H 1 7.729 0.020 A 40 ASN HA H 1 4.499 0.020 A 40 ASN HBy H 1 3.309 0.020 A 40 ASN HBx H 1 3.253 0.020 A 40 ASN HD21 H 1 7.206 0.020 A 40 ASN HD22 H 1 7.929 0.020 A 40 ASN C C 13 174.259 0.300 A 40 ASN CA C 13 52.405 0.300 A 40 ASN CB C 13 38.043 0.300 A 40 ASN N N 15 121.861 0.300 A 40 ASN ND2 N 15 109.431 0.300 A 41 LYS H H 1 8.328 0.020 A 41 LYS HA H 1 4.269 0.020 A 41 LYS HB2 H 1 1.709 0.020 A 41 LYS HB3 H 1 1.709 0.020 A 41 LYS HDy H 1 1.291 0.020 A 41 LYS HDx H 1 0.953 0.020 A 41 LYS HE2 H 1 2.990 0.020 A 41 LYS HE3 H 1 2.990 0.020 A 41 LYS HG2 H 1 0.779 0.020 A 41 LYS HG3 H 1 0.779 0.020 A 41 LYS C C 13 174.861 0.300 A 41 LYS CA C 13 57.171 0.300 A 41 LYS CB C 13 32.909 0.300 A 41 LYS CD C 13 29.433 0.300 A 41 LYS CE C 13 41.274 0.300 A 41 LYS CG C 13 24.757 0.300 A 41 LYS N N 15 119.997 0.300 A 42 CYS H H 1 7.855 0.020 A 42 CYS HA H 1 5.667 0.020 A 42 CYS HBy H 1 3.458 0.020 A 42 CYS HBx H 1 3.381 0.020 A 42 CYS C C 13 172.151 0.300 A 42 CYS CA C 13 54.215 0.300 A 42 CYS CB C 13 52.636 0.300 A 42 CYS N N 15 115.810 0.300 A 43 THR H H 1 9.279 0.020 A 43 THR HA H 1 5.452 0.020 A 43 THR HB H 1 4.012 0.020 A 43 THR C C 13 172.221 0.300 A 43 THR CA C 13 58.949 0.300 A 43 THR CB C 13 73.137 0.300 A 43 THR CG2 C 13 22.250 0.300 A 43 THR N N 15 110.247 0.300 A 44 TYR H H 1 8.541 0.020 A 44 TYR HA H 1 4.870 0.020 A 44 TYR HBy H 1 2.032 0.020 A 44 TYR HBx H 1 1.694 0.020 A 44 TYR HD1 H 1 6.422 0.020 A 44 TYR HD2 H 1 6.422 0.020 A 44 TYR HE1 H 1 6.356 0.020 A 44 TYR HE2 H 1 6.356 0.020 A 44 TYR C C 13 173.043 0.300 A 44 TYR CA C 13 55.982 0.300 A 44 TYR CB C 13 41.255 0.300 A 44 TYR N N 15 120.492 0.300 A 45 ASP H H 1 7.753 0.020 A 45 ASP HA H 1 4.878 0.020 A 45 ASP HBy H 1 3.122 0.020 A 45 ASP HBx H 1 2.329 0.020 A 45 ASP C C 13 176.296 0.300 A 45 ASP CA C 13 51.467 0.300 A 45 ASP CB C 13 41.854 0.300 A 45 ASP N N 15 127.733 0.300 A 46 SER H H 1 8.714 0.020 A 46 SER HA H 1 3.864 0.020 A 46 SER HBy H 1 4.326 0.020 A 46 SER HBx H 1 3.908 0.020 A 46 SER C C 13 175.157 0.300 A 46 SER CA C 13 59.831 0.300 A 46 SER CB C 13 63.765 0.300 A 46 SER N N 15 118.804 0.300 A 47 TYR H H 1 8.680 0.020 A 47 TYR HA H 1 4.440 0.020 A 47 TYR HBy H 1 3.020 0.020 A 47 TYR HBx H 1 2.949 0.020 A 47 TYR HD1 H 1 7.020 0.020 A 47 TYR HD2 H 1 7.020 0.020 A 47 TYR HE1 H 1 7.340 0.020 A 47 TYR HE2 H 1 7.340 0.020 A 47 TYR C C 13 176.365 0.300 A 47 TYR CA C 13 59.749 0.300 A 47 TYR CB C 13 38.538 0.300 A 47 TYR N N 15 123.360 0.300 A 48 ASN H H 1 7.374 0.020 A 48 ASN HA H 1 4.437 0.020 A 48 ASN HBy H 1 2.716 0.020 A 48 ASN HBx H 1 2.513 0.020 A 48 ASN HD21 H 1 7.695 0.020 A 48 ASN HD22 H 1 6.807 0.020 A 48 ASN C C 13 174.944 0.300 A 48 ASN CA C 13 51.769 0.300 A 48 ASN CB C 13 38.667 0.300 A 48 ASN N N 15 113.922 0.300 A 48 ASN ND2 N 15 111.045 0.300 A 49 ARG H H 1 7.964 0.020 A 49 ARG HA H 1 3.619 0.020 A 49 ARG HBy H 1 2.042 0.020 A 49 ARG HBx H 1 1.956 0.020 A 49 ARG HD2 H 1 3.140 0.020 A 49 ARG HD3 H 1 3.140 0.020 A 49 ARG HGy H 1 1.506 0.020 A 49 ARG HGx H 1 1.377 0.020 A 49 ARG C C 13 174.819 0.300 A 49 ARG CA C 13 57.055 0.300 A 49 ARG CB C 13 26.404 0.300 A 49 ARG CD C 13 43.582 0.300 A 49 ARG CG C 13 27.494 0.300 A 49 ARG N N 15 115.701 0.300 A 50 LYS H H 1 7.481 0.020 A 50 LYS HA H 1 4.326 0.020 A 50 LYS HB2 H 1 1.561 0.020 A 50 LYS HB3 H 1 1.561 0.020 A 50 LYS HE2 H 1 2.882 0.020 A 50 LYS HE3 H 1 2.882 0.020 A 50 LYS HG2 H 1 1.206 0.020 A 50 LYS HG3 H 1 1.206 0.020 A 50 LYS C C 13 175.769 0.300 A 50 LYS CA C 13 56.062 0.300 A 50 LYS CB C 13 34.380 0.300 A 50 LYS CD C 13 29.135 0.300 A 50 LYS CE C 13 42.063 0.300 A 50 LYS CG C 13 25.035 0.300 A 50 LYS N N 15 118.409 0.300 A 51 VAL H H 1 8.565 0.020 A 51 VAL HA H 1 5.020 0.020 A 51 VAL HB H 1 1.995 0.020 A 51 VAL HGx% H 1 1.057 0.020 A 51 VAL HGy% H 1 1.026 0.020 A 51 VAL C C 13 174.535 0.300 A 51 VAL CA C 13 60.012 0.300 A 51 VAL CB C 13 34.468 0.300 A 51 VAL CG1 C 13 23.245 0.300 A 51 VAL CG2 C 13 22.172 0.300 A 51 VAL N N 15 127.022 0.300 A 52 LYS H H 1 8.782 0.020 A 52 LYS HA H 1 4.548 0.020 A 52 LYS HBy H 1 1.854 0.020 A 52 LYS HBx H 1 1.404 0.020 A 52 LYS HE2 H 1 2.984 0.020 A 52 LYS HE3 H 1 2.984 0.020 A 52 LYS HGy H 1 1.266 0.020 A 52 LYS HGx H 1 0.516 0.020 A 52 LYS C C 13 175.830 0.300 A 52 LYS CA C 13 55.656 0.300 A 52 LYS CB C 13 35.356 0.300 A 52 LYS CD C 13 29.290 0.300 A 52 LYS CE C 13 42.009 0.300 A 52 LYS CG C 13 24.483 0.300 A 52 LYS N N 15 127.738 0.300 A 53 CYS H H 1 10.012 0.020 A 53 CYS HA H 1 5.061 0.020 A 53 CYS HBy H 1 3.469 0.020 A 53 CYS HBx H 1 3.269 0.020 A 53 CYS C C 13 170.863 0.300 A 53 CYS CA C 13 53.384 0.300 A 53 CYS CB C 13 43.854 0.300 A 53 CYS N N 15 121.930 0.300 A 54 ASP H H 1 7.676 0.020 A 54 ASP HA H 1 4.724 0.020 A 54 ASP HBy H 1 2.567 0.020 A 54 ASP HBx H 1 2.332 0.020 A 54 ASP C C 13 174.587 0.300 A 54 ASP CA C 13 53.659 0.300 A 54 ASP CB C 13 42.635 0.300 A 54 ASP N N 15 119.570 0.300 A 55 PHE H H 1 8.524 0.020 A 55 PHE HA H 1 4.346 0.020 A 55 PHE HBy H 1 3.200 0.020 A 55 PHE HBx H 1 2.713 0.020 A 55 PHE HD1 H 1 7.213 0.020 A 55 PHE HD2 H 1 7.213 0.020 A 55 PHE C C 13 175.910 0.300 A 55 PHE CA C 13 58.396 0.300 A 55 PHE CB C 13 39.450 0.300 A 55 PHE N N 15 121.511 0.300 A 56 ARG H H 1 8.403 0.020 A 56 ARG HA H 1 4.292 0.020 A 56 ARG HB2 H 1 1.756 0.020 A 56 ARG HB3 H 1 1.756 0.020 A 56 ARG HD2 H 1 3.133 0.020 A 56 ARG HD3 H 1 3.133 0.020 A 56 ARG HG2 H 1 1.528 0.020 A 56 ARG HG3 H 1 1.528 0.020 A 56 ARG C C 13 175.488 0.300 A 56 ARG CA C 13 56.427 0.300 A 56 ARG CB C 13 30.832 0.300 A 56 ARG CD C 13 43.176 0.300 A 56 ARG CG C 13 27.050 0.300 A 56 ARG N N 15 121.041 0.300 A 57 HIS H H 1 8.076 0.020 A 57 HIS HA H 1 4.394 0.020 A 57 HIS HBy H 1 3.194 0.020 A 57 HIS HBx H 1 3.025 0.020 A 57 HIS HD2 H 1 7.117 0.020 A 57 HIS C C 13 179.033 0.300 A 57 HIS CA C 13 57.255 0.300 A 57 HIS CB C 13 30.210 0.300 A 57 HIS N N 15 123.766 0.300 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _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 2 GLU HGy A 43 THR HB 1.0 . 4.20 2 2 A 43 THR HB A 52 LYS H 1.0 . 4.19 3 3 A 43 THR HB A 44 TYR H 1.0 . 3.31 4 4 A 13 THR HB A 14 CYS H 1.0 . 3.22 5 5 A 9 THR H A 9 THR HB 1.0 . 3.71 6 6 A 22 THR H A 22 THR HB 1.0 . 3.00 7 7 A 9 THR HA A 35 CYS HBy 1.0 . 4.32 8 8 A 9 THR HA A 9 THR HG2% 1.0 . 3.31 9 9 A 9 THR HA A 10 LYS HBy 1.0 . 4.76 10 10 A 9 THR HA A 35 CYS HBx 1.0 . 3.72 11 11 A 44 TYR HD% A 46 SER HBx 1.0 . 4.76 12 12 A 28 PRO HA A 30 ALA H 1.0 . 4.22 13 13 A 28 PRO HA A 29 SER H 1.0 . 2.81 14 14 A 22 THR HA A 23 TYR H 1.0 . 2.79 15 15 A 22 THR HA A 22 THR HG2% 1.0 . 3.64 16 16 A 18 ILE HA A 18 ILE HG1x 1.0 . 3.70 17 17 A 33 THR HA A 54 ASP HA 1.0 . 3.60 18 18 A 33 THR HA A 33 THR HG2% 1.0 . 3.34 19 19 A 44 TYR HA A 51 VAL HA 1.0 . 3.57 20 20 A 10 LYS HBy A 10 LYS HA 1.0 . 3.00 21 21 A 10 LYS HA A 10 LYS HD2 1.0 . 3.59 22 21 A 10 LYS HA A 10 LYS HD3 1.0 . 3.59 23 22 A 10 LYS HA A 10 LYS HGy 1.0 . 3.93 24 23 A 47 TYR HA A 47 TYR HBy 1.0 . 2.99 25 24 A 44 TYR HE% A 46 SER HA 1.0 . 3.29 26 25 A 44 TYR H A 43 THR HA 1.0 . 2.76 27 26 A 36 GLU HA A 36 GLU HB2 1.0 . 2.84 28 26 A 36 GLU HA A 36 GLU HB3 1.0 . 2.84 29 27 A 57 HIS HA A 56 ARG HB2 1.0 . 4.38 30 27 A 56 ARG HB3 A 57 HIS HA 1.0 . 4.38 31 28 A 41 LYS HA A 42 CYS HA 1.0 . 4.66 32 29 A 35 CYS HBy A 35 CYS HA 1.0 . 3.02 33 30 A 35 CYS HA A 36 GLU H 1.0 . 2.88 34 31 A 41 LYS HA A 42 CYS H 1.0 . 2.67 35 32 A 49 ARG H A 49 ARG HA 1.0 . 2.83 36 33 A 35 CYS HA A 36 GLU HB2 1.0 . 4.61 37 33 A 36 GLU HB3 A 35 CYS HA 1.0 . 4.61 38 34 A 26 LYS HA A 27 CYS H 1.0 . 2.80 39 35 A 26 LYS HA A 13 THR HA 1.0 . 3.19 40 36 A 26 LYS HA A 13 THR HG2% 1.0 . 4.05 41 37 A 14 CYS H A 26 LYS HA 1.0 . 3.89 42 38 A 26 LYS HA A 26 LYS HBx 1.0 . 2.77 43 39 A 23 TYR HA A 24 LEU H 1.0 . 2.70 44 40 A 56 ARG HA A 56 ARG HG2 1.0 . 3.84 45 40 A 56 ARG HA A 56 ARG HG3 1.0 . 3.84 46 41 A 50 LYS HA A 50 LYS HB2 1.0 . 2.94 47 41 A 50 LYS HA A 50 LYS HB3 1.0 . 2.94 48 42 A 50 LYS HA A 51 VAL H 1.0 . 2.64 49 43 A 56 ARG HA A 57 HIS H 1.0 . 3.38 50 44 A 52 LYS HA A 52 LYS HGx 1.0 . 3.93 51 45 A 52 LYS HA A 53 CYS H 1.0 . 3.10 52 46 A 5 GLY HAy A 16 TYR HA 1.0 . 4.06 53 47 A 2 GLU HGy A 2 GLU HA 1.0 . 4.13 54 48 A 27 CYS HA A 51 VAL HGy% 1.0 . 3.49 55 49 A 27 CYS HA A 28 PRO HDy 1.0 . 3.11 56 50 A 52 LYS HA A 52 LYS HGy 1.0 . 3.79 57 51 A 37 LYS HA A 37 LYS HG2 1.0 . 3.52 58 51 A 37 LYS HA A 37 LYS HG3 1.0 . 3.52 59 52 A 15 LYS HA A 15 LYS HGy 1.0 . 3.92 60 53 A 16 TYR HA A 17 LYS H 1.0 . 2.95 61 54 A 16 TYR HA A 5 GLY HAx 1.0 . 3.34 62 55 A 2 GLU HA A 2 GLU HGx 1.0 . 3.74 63 56 A 27 CYS HA A 28 PRO HDx 1.0 . 3.22 64 57 A 15 LYS HA A 16 TYR H 1.0 . 2.78 65 58 A 15 LYS HA A 24 LEU HA 1.0 . 3.20 66 59 A 15 LYS HA A 15 LYS HGx 1.0 . 4.06 67 60 A 16 TYR HA A 16 TYR HD% 1.0 . 4.15 68 61 A 12 ASN HD21 A 34 LYS HA 1.0 . 3.79 69 62 A 31 ALA HA A 34 LYS H 1.0 . 4.41 70 63 A 22 THR H A 21 LYS HA 1.0 . 2.78 71 64 A 21 LYS HA A 21 LYS HD2 1.0 . 3.27 72 64 A 21 LYS HA A 21 LYS HD3 1.0 . 3.27 73 65 A 23 TYR H A 17 LYS HA 1.0 . 3.82 74 66 A 17 LYS HA A 18 ILE H 1.0 . 2.81 75 67 A 22 THR HA A 17 LYS HA 1.0 . 3.24 76 68 A 18 ILE HG1x A 17 LYS HA 1.0 . 4.73 77 69 A 42 CYS HA A 7 CYS HBx 1.0 . 4.20 78 70 A 17 LYS HA A 23 TYR HD% 1.0 . 4.32 79 71 A 42 CYS HA A 43 THR H 1.0 . 3.06 80 72 A 42 CYS HA A 53 CYS HA 1.0 . 3.59 81 73 A 6 GLU HA A 6 GLU HG2 1.0 . 3.55 82 73 A 6 GLU HA A 6 GLU HG3 1.0 . 3.55 83 74 A 41 LYS HA A 6 GLU HA 1.0 . 3.37 84 75 A 32 ASN HA A 32 ASN HD21 1.0 . 4.02 85 76 A 6 GLU HA A 7 CYS H 1.0 . 2.80 86 77 A 32 ASN HA A 32 ASN HBx 1.0 . 3.01 87 78 A 34 LYS H A 32 ASN HA 1.0 . 4.42 88 79 A 16 TYR H A 24 LEU HA 1.0 . 4.37 89 80 A 24 LEU HA A 25 ALA H 1.0 . 2.75 90 81 A 24 LEU HA A 24 LEU HD1% 1.0 . 3.57 91 82 A 7 CYS HBx A 42 CYS HBx 1.0 . 4.17 92 83 A 40 ASN HA A 40 ASN HD22 1.0 . 4.75 93 84 A 40 ASN HA A 41 LYS H 1.0 . 2.73 94 85 A 7 CYS HA A 8 PHE H 1.0 . 3.04 95 86 A 7 CYS HA A 14 CYS HA 1.0 . 3.10 96 87 A 48 ASN HA A 49 ARG HBy 1.0 . 4.65 97 88 A 5 GLY HAx A 16 TYR HBy 1.0 . 4.27 98 89 A 19 ASP HA A 20 GLY HAx 1.0 . 4.31 99 90 A 5 GLY HAx A 6 GLU H 1.0 . 3.32 100 91 A 25 ALA H A 24 LEU HBy 1.0 . 4.15 101 92 A 33 THR HA A 54 ASP HBy 1.0 . 4.66 102 93 A 9 THR H A 8 PHE HBy 1.0 . 3.80 103 94 A 14 CYS H A 14 CYS HBx 1.0 . 3.77 104 95 A 44 TYR HA A 45 ASP HBx 1.0 . 4.41 105 96 A 13 THR HG2% A 26 LYS HE2 1.0 . 5.44 106 96 A 13 THR HG2% A 26 LYS HE3 1.0 . 5.44 107 97 A 44 TYR HA A 45 ASP HBy 1.0 . 4.77 108 98 A 13 THR HG2% A 11 ASP HBx 1.0 . 4.81 109 99 A 16 TYR HD% A 3 TYR HBx 1.0 . 3.72 110 100 A 44 TYR H A 3 TYR HBx 1.0 . 4.74 111 101 A 3 TYR HBx A 44 TYR HBx 1.0 . 4.24 112 102 A 56 ARG HA A 55 PHE HBx 1.0 . 4.33 113 103 A 48 ASN HBx A 50 LYS HB2 1.0 . 4.40 114 103 A 50 LYS HB3 A 48 ASN HBx 1.0 . 4.40 115 104 A 39 GLY H A 40 ASN HBy 1.0 . 4.54 116 105 A 36 GLU H A 36 GLU HGx 1.0 . 4.48 117 106 A 39 GLY HAx A 6 GLU HG2 1.0 . 4.63 118 106 A 6 GLU HG3 A 39 GLY HAx 1.0 . 4.63 119 107 A 48 ASN HD21 A 50 LYS HB2 1.0 . 4.65 120 107 A 50 LYS HB3 A 48 ASN HD21 1.0 . 4.65 121 108 A 6 GLU HBy A 39 GLY HAy 1.0 . 4.56 122 109 A 15 LYS HBy A 15 LYS HD2 1.0 . 3.39 123 109 A 15 LYS HBy A 15 LYS HD3 1.0 . 3.39 124 110 A 21 LYS H A 21 LYS HBy 1.0 . 4.00 125 111 A 23 TYR HE% A 21 LYS HBy 1.0 . 4.91 126 112 A 26 LYS H A 26 LYS HBy 1.0 . 4.01 127 113 A 37 LYS H A 36 GLU HB2 1.0 . 3.99 128 113 A 36 GLU HB3 A 37 LYS H 1.0 . 3.99 129 114 A 36 GLU H A 36 GLU HB2 1.0 . 3.75 130 114 A 36 GLU HB3 A 36 GLU H 1.0 . 3.75 131 115 A 56 ARG HB2 A 56 ARG HG2 1.0 . 2.72 132 115 A 56 ARG HB3 A 56 ARG HG2 1.0 . 2.72 133 115 A 56 ARG HG3 A 56 ARG HB2 1.0 . 2.72 134 115 A 56 ARG HB3 A 56 ARG HG3 1.0 . 2.72 135 116 A 57 HIS H A 57 HIS HBy 1.0 . 4.05 136 117 A 17 LYS H A 17 LYS HD2 1.0 . 4.74 137 117 A 17 LYS H A 17 LYS HD3 1.0 . 4.74 138 118 A 40 ASN HD21 A 37 LYS HD2 1.0 . 5.07 139 118 A 37 LYS HD3 A 40 ASN HD21 1.0 . 5.07 140 119 A 10 LYS HGy A 10 LYS HD2 1.0 . 2.93 141 119 A 10 LYS HD3 A 10 LYS HGy 1.0 . 2.93 142 120 A 37 LYS HD3 A 37 LYS HG2 1.0 . 2.99 143 120 A 37 LYS HD2 A 37 LYS HG2 1.0 . 2.99 144 120 A 37 LYS HG3 A 37 LYS HD2 1.0 . 2.99 145 120 A 37 LYS HG3 A 37 LYS HD3 1.0 . 2.99 146 121 A 41 LYS H A 41 LYS HDx 1.0 . 4.91 147 122 A 4 LYS HA A 4 LYS HGy 1.0 . 4.20 148 123 A 15 LYS HGy A 15 LYS HEy 1.0 . 4.01 149 124 A 50 LYS H A 50 LYS HG2 1.0 . 4.38 150 124 A 50 LYS H A 50 LYS HG3 1.0 . 4.38 151 125 A 4 LYS H A 4 LYS HGx 1.0 . 4.21 152 126 A 15 LYS HGx A 15 LYS HEx 1.0 . 4.14 153 127 A 4 LYS HGy A 4 LYS H 1.0 . 4.24 154 128 A 18 ILE HA A 18 ILE HG1y 1.0 . 4.03 155 129 A 4 LYS HGy A 4 LYS HD2 1.0 . 2.82 156 129 A 4 LYS HGy A 4 LYS HD3 1.0 . 2.82 157 130 A 37 LYS HB2 A 37 LYS HG2 1.0 . 2.91 158 130 A 37 LYS HB3 A 37 LYS HG2 1.0 . 2.91 159 130 A 37 LYS HG3 A 37 LYS HB2 1.0 . 2.91 160 130 A 37 LYS HG3 A 37 LYS HB3 1.0 . 2.91 161 131 A 10 LYS HA A 10 LYS HGx 1.0 . 4.23 162 132 A 24 LEU HD1% A 15 LYS HEx 1.0 . 4.09 163 133 A 26 LYS HA A 51 VAL HGx% 1.0 . 4.87 164 134 A 51 VAL HGx% A 44 TYR HBy 1.0 . 3.30 165 135 A 22 THR H A 22 THR HG2% 1.0 . 4.19 166 136 A 51 VAL HGy% A 14 CYS HBy 1.0 . 3.62 167 137 A 32 ASN HBx A 30 ALA HB% 1.0 . 4.71 168 138 A 18 ILE HG2% A 18 ILE HD1% 1.0 . 3.39 169 139 A 18 ILE HD1% A 3 TYR HE% 1.0 . 4.27 170 140 A 51 VAL HGy% A 45 ASP H 1.0 . 5.16 171 141 A 52 LYS H A 44 TYR H 1.0 . 5.50 172 142 A 44 TYR H A 45 ASP H 1.0 . 5.06 173 143 A 44 TYR HA A 45 ASP H 1.0 . 3.09 174 144 A 45 ASP H A 50 LYS HB2 1.0 . 4.84 175 144 A 50 LYS HB3 A 45 ASP H 1.0 . 4.84 176 145 A 51 VAL H A 51 VAL HGy% 1.0 . 4.02 177 146 A 2 GLU HA A 3 TYR H 1.0 . 3.18 178 147 A 3 TYR H A 2 GLU HB2 1.0 . 4.23 179 147 A 3 TYR H A 2 GLU HB3 1.0 . 4.23 180 148 A 25 ALA H A 14 CYS HBx 1.0 . 4.47 181 149 A 30 ALA H A 29 SER HA 1.0 . 3.49 182 150 A 30 ALA H A 28 PRO HGy 1.0 . 4.60 183 151 A 57 HIS H A 56 ARG HG2 1.0 . 4.76 184 151 A 56 ARG HG3 A 57 HIS H 1.0 . 4.76 185 152 A 49 ARG HA A 47 TYR H 1.0 . 5.50 186 153 A 27 CYS H A 26 LYS H 1.0 . 4.50 187 154 A 26 LYS H A 25 ALA HA 1.0 . 2.91 188 155 A 26 LYS HBx A 26 LYS H 1.0 . 3.36 189 156 A 51 VAL HGy% A 26 LYS H 1.0 . 5.19 190 157 A 40 ASN H A 37 LYS HB2 1.0 . 4.50 191 157 A 37 LYS HB3 A 40 ASN H 1.0 . 4.50 192 158 A 54 ASP HA A 55 PHE H 1.0 . 3.01 193 159 A 6 GLU H A 6 GLU HBy 1.0 . 4.00 194 160 A 6 GLU H A 6 GLU HG2 1.0 . 4.29 195 160 A 6 GLU HG3 A 6 GLU H 1.0 . 4.29 196 161 A 14 CYS HA A 6 GLU H 1.0 . 5.12 197 162 A 27 CYS H A 51 VAL HGy% 1.0 . 4.74 198 163 A 44 TYR H A 3 TYR HBy 1.0 . 5.41 199 164 A 7 CYS H A 15 LYS H 1.0 . 5.08 200 165 A 7 CYS H A 42 CYS HBy 1.0 . 4.71 201 166 A 41 LYS H A 40 ASN HBx 1.0 . 3.83 202 167 A 22 THR H A 21 LYS HD2 1.0 . 4.17 203 167 A 22 THR H A 21 LYS HD3 1.0 . 4.17 204 168 A 22 THR H A 21 LYS HE2 1.0 . 5.50 205 168 A 22 THR H A 21 LYS HE3 1.0 . 5.50 206 169 A 22 THR HA A 18 ILE H 1.0 . 4.52 207 170 A 18 ILE H A 18 ILE HB 1.0 . 3.82 208 171 A 45 ASP HBx A 50 LYS H 1.0 . 4.45 209 172 A 50 LYS H A 45 ASP H 1.0 . 4.25 210 173 A 5 GLY HAy A 17 LYS H 1.0 . 5.20 211 174 A 8 PHE H A 8 PHE HD% 1.0 . 4.45 212 175 A 8 PHE H A 38 ASP HA 1.0 . 5.36 213 176 A 35 CYS HBy A 35 CYS H 1.0 . 3.66 214 177 A 42 CYS H A 41 LYS HDx 1.0 . 5.16 215 178 A 35 CYS H A 34 LYS HGx 1.0 . 5.39 216 179 A 42 CYS H A 5 GLY H 1.0 . 3.93 217 180 A 49 ARG H A 49 ARG HGy 1.0 . 4.48 218 181 A 47 TYR HD% A 48 ASN H 1.0 . 4.92 219 182 A 49 ARG HGy A 48 ASN H 1.0 . 5.50 220 183 A 16 TYR HA A 5 GLY H 1.0 . 4.84 221 184 A 5 GLY H A 4 LYS HBy 1.0 . 4.05 222 185 A 39 GLY H A 8 PHE HD% 1.0 . 4.89 223 186 A 47 TYR HD% A 48 ASN HD22 1.0 . 5.50 224 187 A 12 ASN HA A 13 THR H 1.0 . 3.41 225 188 A 13 THR HG2% A 13 THR H 1.0 . 4.37 226 189 A 13 THR H A 12 ASN HBx 1.0 . 5.40 227 190 A 32 ASN HBy A 33 THR H 1.0 . 5.23 228 191 A 53 CYS H A 28 PRO HDx 1.0 . 4.82 229 192 A 53 CYS H A 53 CYS HBx 1.0 . 4.04 230 193 A 36 GLU H A 40 ASN HBy 1.0 . 5.49 231 194 A 36 GLU H A 35 CYS H 1.0 . 5.03 232 195 A 36 GLU H A 37 LYS H 1.0 . 3.35 233 196 A 35 CYS HBx A 36 GLU H 1.0 . 5.06 234 197 A 14 CYS H A 13 THR H 1.0 . 5.36 235 198 A 7 CYS H A 40 ASN H 1.0 . 4.26 236 199 A 5 GLY HAy A 15 LYS H 1.0 . 4.58 237 200 A 7 CYS HA A 15 LYS H 1.0 . 3.72 238 201 A 14 CYS H A 15 LYS H 1.0 . 4.76 239 202 A 52 LYS HA A 43 THR H 1.0 . 5.50 240 203 A 2 GLU HGx A 3 TYR H 1.0 . 4.51 241 204 A 3 TYR H A 3 TYR HD% 1.0 . 3.55 242 205 A 44 TYR HD% A 3 TYR H 1.0 . 5.20 243 206 A 44 TYR HBx A 3 TYR H 1.0 . 4.91 244 207 A 3 TYR HE% A 3 TYR H 1.0 . 5.36 245 208 A 10 LYS H A 11 ASP H 1.0 . 4.09 246 209 A 14 CYS H A 25 ALA H 1.0 . 3.69 247 210 A 13 THR HG2% A 25 ALA H 1.0 . 4.98 248 211 A 3 TYR HBx A 5 GLY H 1.0 . 5.18 249 212 A 39 GLY H A 38 ASP H 1.0 . 4.61 250 213 A 7 CYS H A 39 GLY H 1.0 . 4.77 251 214 A 4 LYS H A 5 GLY H 1.0 . 4.67 252 215 A 6 GLU H A 5 GLY H 1.0 . 4.67 253 216 A 39 GLY H A 40 ASN HBx 1.0 . 5.50 254 217 A 39 GLY H A 40 ASN H 1.0 . 3.25 255 218 A 23 TYR H A 24 LEU H 1.0 . 4.88 256 219 A 23 TYR H A 23 TYR HD% 1.0 . 3.67 257 220 A 23 TYR H A 23 TYR HE% 1.0 . 5.12 258 221 A 23 TYR H A 23 TYR HBx 1.0 . 3.81 259 222 A 4 LYS H A 3 TYR HD% 1.0 . 3.67 260 223 A 4 LYS H A 4 LYS HBy 1.0 . 3.53 261 224 A 7 CYS H A 8 PHE H 1.0 . 5.30 262 225 A 4 LYS H A 3 TYR HE% 1.0 . 5.50 263 226 A 7 CYS HBx A 8 PHE H 1.0 . 4.11 264 227 A 4 LYS H A 4 LYS HD2 1.0 . 4.44 265 227 A 4 LYS H A 4 LYS HD3 1.0 . 4.44 266 228 A 14 CYS H A 8 PHE H 1.0 . 5.22 267 229 A 13 THR HB A 8 PHE H 1.0 . 5.50 268 230 A 26 LYS H A 51 VAL HGx% 1.0 . 4.27 269 231 A 16 TYR H A 25 ALA H 1.0 . 5.36 270 232 A 52 LYS H A 53 CYS H 1.0 . 5.34 271 233 A 16 TYR H A 15 LYS H 1.0 . 4.62 272 234 A 52 LYS H A 43 THR H 1.0 . 3.63 273 235 A 52 LYS H A 51 VAL H 1.0 . 5.50 274 236 A 3 TYR H A 46 SER H 1.0 . 5.16 275 237 A 3 TYR HE% A 46 SER H 1.0 . 4.39 276 238 A 44 TYR HE% A 46 SER H 1.0 . 5.16 277 239 A 47 TYR H A 47 TYR HD% 1.0 . 4.63 278 240 A 27 CYS H A 12 ASN HD22 1.0 . 5.26 279 241 A 27 CYS H A 12 ASN HD21 1.0 . 5.06 280 242 A 14 CYS H A 27 CYS H 1.0 . 4.27 281 243 A 9 THR H A 38 ASP H 1.0 . 4.98 282 244 A 37 LYS H A 38 ASP H 1.0 . 4.50 283 245 A 51 VAL H A 50 LYS HB2 1.0 . 3.60 284 245 A 50 LYS HB3 A 51 VAL H 1.0 . 3.60 285 246 A 51 VAL H A 50 LYS H 1.0 . 4.65 286 247 A 51 VAL H A 51 VAL HGx% 1.0 . 3.77 287 248 A 44 TYR H A 3 TYR H 1.0 . 3.77 288 249 A 55 PHE H A 54 ASP H 1.0 . 4.54 289 250 A 55 PHE H A 55 PHE HD% 1.0 . 3.52 290 251 A 55 PHE H A 56 ARG H 1.0 . 4.86 291 252 A 30 ALA HB% A 32 ASN H 1.0 . 5.00 292 253 A 18 ILE H A 23 TYR HD% 1.0 . 3.79 293 254 A 32 ASN H A 31 ALA H 1.0 . 5.50 294 255 A 16 TYR H A 6 GLU H 1.0 . 5.28 295 256 A 7 CYS H A 6 GLU H 1.0 . 4.85 296 257 A 6 GLU H A 15 LYS H 1.0 . 3.86 297 258 A 57 HIS H A 56 ARG H 1.0 . 4.42 298 259 A 42 CYS H A 41 LYS H 1.0 . 4.96 299 260 A 41 LYS H A 40 ASN HD21 1.0 . 5.25 300 261 A 7 CYS H A 41 LYS H 1.0 . 5.50 301 262 A 2 GLU HGy A 2 GLU H 1.0 . 5.50 302 263 A 30 ALA H A 29 SER H 1.0 . 3.35 303 264 A 17 LYS H A 16 TYR H 1.0 . 5.29 304 265 A 17 LYS H A 18 ILE H 1.0 . 5.19 305 266 A 17 LYS H A 16 TYR HD% 1.0 . 4.26 306 267 A 17 LYS H A 17 LYS HGy 1.0 . 4.46 307 268 A 22 THR H A 21 LYS H 1.0 . 5.05 308 269 A 22 THR H A 23 TYR H 1.0 . 5.10 309 270 A 22 THR H A 21 LYS HBx 1.0 . 3.93 310 270 A 22 THR H A 21 LYS HBy 1.0 . 3.93 311 271 A 35 CYS H A 12 ASN HD22 1.0 . 5.11 312 272 A 57 HIS H A 57 HIS HD2 1.0 . 5.39 313 273 A 24 LEU H A 25 ALA H 1.0 . 4.86 314 274 A 24 LEU H A 23 TYR HD% 1.0 . 4.28 315 275 A 49 ARG H A 47 TYR H 1.0 . 4.26 316 276 A 49 ARG H A 50 LYS H 1.0 . 3.39 317 277 A 40 ASN HD22 A 37 LYS H 1.0 . 4.16 318 278 A 36 GLU H A 40 ASN HD22 1.0 . 4.40 319 279 A 40 ASN HD22 A 41 LYS H 1.0 . 5.45 320 280 A 21 LYS H A 20 GLY H 1.0 . 3.90 321 281 A 21 LYS H A 23 TYR HE% 1.0 . 4.81 322 282 A 8 PHE H A 13 THR H 1.0 . 3.91 323 283 A 42 CYS H A 7 CYS H 1.0 . 5.20 324 284 A 42 CYS H A 43 THR H 1.0 . 5.21 325 285 A 13 THR H A 12 ASN HD22 1.0 . 5.36 326 286 A 11 ASP H A 12 ASN H 1.0 . 3.32 327 287 A 45 ASP H A 46 SER H 1.0 . 4.79 328 288 A 44 TYR HBx A 45 ASP H 1.0 . 5.30 329 289 A 44 TYR HBy A 45 ASP H 1.0 . 4.45 330 290 A 40 ASN H A 40 ASN HBx 1.0 . 3.40 331 291 A 41 LYS H A 40 ASN H 1.0 . 4.73 332 292 A 40 ASN HD22 A 40 ASN H 1.0 . 5.50 333 293 A 54 ASP H A 53 CYS HBy 1.0 . 4.73 334 294 A 48 ASN HD21 A 48 ASN H 1.0 . 4.96 335 295 A 48 ASN HBx A 48 ASN HD21 1.0 . 4.05 336 296 A 10 LYS H A 12 ASN H 1.0 . 4.85 337 297 A 48 ASN HD21 A 47 TYR HD% 1.0 . 5.09 338 298 A 10 LYS HBy A 12 ASN H 1.0 . 5.50 339 299 A 33 THR H A 32 ASN H 1.0 . 3.86 340 300 A 34 LYS H A 33 THR H 1.0 . 3.07 341 301 A 44 TYR HE% A 50 LYS H 1.0 . 5.21 342 302 A 49 ARG H A 48 ASN H 1.0 . 3.11 343 303 A 47 TYR H A 48 ASN H 1.0 . 3.30 344 304 A 54 ASP H A 55 PHE HD% 1.0 . 4.85 345 305 A 8 PHE HD% A 13 THR H 1.0 . 5.13 346 306 A 44 TYR HBx A 3 TYR HD% 1.0 . 5.50 347 307 A 36 GLU H A 40 ASN HD21 1.0 . 4.90 348 308 A 3 TYR HD% A 46 SER H 1.0 . 4.79 349 309 A 16 TYR HD% A 3 TYR HD% 1.0 . 4.82 350 310 A 44 TYR HE% A 3 TYR HD% 1.0 . 4.61 351 311 A 15 LYS H A 8 PHE HD% 1.0 . 5.20 352 312 A 37 LYS H A 40 ASN HD21 1.0 . 5.10 353 313 A 9 THR H A 8 PHE HD% 1.0 . 4.77 354 314 A 34 LYS H A 32 ASN H 1.0 . 4.93 355 315 A 34 LYS H A 35 CYS H 1.0 . 4.80 356 316 A 34 LYS H A 34 LYS HGy 1.0 . 3.68 357 317 A 37 LYS H A 40 ASN H 1.0 . 4.83 358 318 A 23 TYR HD% A 18 ILE HG1y 1.0 . 4.68 359 319 A 16 TYR HD% A 23 TYR HD% 1.0 . 5.50 360 320 A 18 ILE H A 23 TYR HE% 1.0 . 3.88 361 321 A 22 THR H A 23 TYR HE% 1.0 . 5.50 362 322 A 23 TYR HE% A 18 ILE HG2% 1.0 . 4.57 363 323 A 12 ASN HD21 A 35 CYS H 1.0 . 4.51 364 324 A 12 ASN HD21 A 34 LYS HB2 1.0 . 4.46 365 324 A 12 ASN HD21 A 34 LYS HB3 1.0 . 4.46 366 325 A 29 SER H A 12 ASN HD21 1.0 . 5.50 367 326 A 12 ASN HD21 A 26 LYS HD2 1.0 . 4.65 368 326 A 12 ASN HD21 A 26 LYS HD3 1.0 . 4.65 369 327 A 23 TYR H A 16 TYR HD% 1.0 . 5.50 370 328 A 16 TYR HD% A 25 ALA H 1.0 . 4.92 371 329 A 16 TYR H A 16 TYR HD% 1.0 . 3.69 372 330 A 16 TYR HD% A 18 ILE H 1.0 . 5.42 373 331 A 44 TYR H A 44 TYR HD% 1.0 . 4.62 374 332 A 44 TYR HD% A 45 ASP H 1.0 . 4.11 375 333 A 44 TYR HD% A 50 LYS H 1.0 . 5.50 376 334 A 44 TYR HD% A 3 TYR HD% 1.0 . 3.42 377 335 A 44 TYR HD% A 3 TYR HE% 1.0 . 4.83 378 336 A 44 TYR HD% A 46 SER H 1.0 . 4.93 379 337 A 44 TYR HD% A 18 ILE HD1% 1.0 . 5.09 380 338 A 44 TYR HD% A 46 SER HA 1.0 . 5.33 381 339 A 44 TYR HD% A 44 TYR HA 1.0 . 3.76 382 340 A 44 TYR HE% A 3 TYR HBx 1.0 . 5.50 383 341 A 44 TYR HE% A 45 ASP H 1.0 . 5.45 384 342 A 44 TYR HE% A 49 ARG H 1.0 . 4.86 385 343 A 44 TYR HE% A 49 ARG HBy 1.0 . 5.07 386 344 A 44 TYR HE% A 49 ARG HBx 1.0 . 4.53 387 345 A 44 TYR HE% A 3 TYR HE% 1.0 . 5.16 388 346 A 7 CYS HA A 6 GLU H 1.0 . 5.50 389 347 A 7 CYS HA A 42 CYS HBy 1.0 . 5.40 390 348 A 7 CYS HA A 13 THR H 1.0 . 4.83 391 349 A 14 CYS H A 7 CYS HA 1.0 . 5.23 392 350 A 7 CYS HA A 8 PHE HD% 1.0 . 4.28 393 351 A 7 CYS HA A 14 CYS HBx 1.0 . 4.65 394 352 A 25 ALA H A 16 TYR HE% 1.0 . 4.29 395 353 A 16 TYR H A 16 TYR HE% 1.0 . 5.16 396 354 A 24 LEU H A 16 TYR HE% 1.0 . 5.50 397 355 A 23 TYR HD% A 16 TYR HE% 1.0 . 4.30 398 356 A 23 TYR HE% A 16 TYR HE% 1.0 . 5.50 399 357 A 44 TYR HD% A 16 TYR HE% 1.0 . 4.29 400 358 A 44 TYR HE% A 16 TYR HE% 1.0 . 4.86 401 359 A 16 TYR HE% A 23 TYR HBy 1.0 . 4.46 402 360 A 44 TYR HBy A 16 TYR HE% 1.0 . 5.06 403 361 A 44 TYR HBx A 16 TYR HE% 1.0 . 5.07 404 362 A 16 TYR HE% A 25 ALA HB% 1.0 . 3.62 405 363 A 23 TYR HBx A 16 TYR HE% 1.0 . 4.32 406 364 A 18 ILE HG1y A 16 TYR HE% 1.0 . 4.26 407 365 A 18 ILE HD1% A 16 TYR HE% 1.0 . 3.57 408 366 A 3 TYR HBy A 16 TYR HE% 1.0 . 5.50 409 367 A 42 CYS HA A 14 CYS HBx 1.0 . 5.47 410 368 A 18 ILE HA A 17 LYS HA 1.0 . 5.50 411 369 A 22 THR HG2% A 17 LYS HA 1.0 . 5.50 412 370 A 43 THR HA A 44 TYR HBy 1.0 . 5.05 413 371 A 24 LEU H A 15 LYS HA 1.0 . 5.43 414 372 A 22 THR HG2% A 15 LYS HA 1.0 . 5.18 415 373 A 15 LYS HA A 25 ALA H 1.0 . 4.40 416 374 A 15 LYS HA A 16 TYR HD% 1.0 . 4.47 417 375 A 15 LYS HA A 15 LYS HEx 1.0 . 5.43 418 376 A 15 LYS HA A 24 LEU HD1% 1.0 . 3.88 419 377 A 24 LEU HA A 25 ALA HB% 1.0 . 5.50 420 378 A 24 LEU HA A 15 LYS HEy 1.0 . 5.50 421 379 A 24 LEU HA A 16 TYR HD% 1.0 . 3.94 422 380 A 24 LEU HA A 16 TYR HE% 1.0 . 5.08 423 381 A 23 TYR HA A 24 LEU HA 1.0 . 4.39 424 382 A 22 THR HG2% A 16 TYR HA 1.0 . 5.50 425 383 A 6 GLU HA A 5 GLY H 1.0 . 4.90 426 384 A 6 GLU HA A 7 CYS HA 1.0 . 5.21 427 385 A 6 GLU HA A 41 LYS H 1.0 . 5.29 428 386 A 42 CYS H A 6 GLU HA 1.0 . 3.83 429 387 A 43 THR H A 53 CYS HA 1.0 . 4.31 430 388 A 52 LYS H A 51 VAL HA 1.0 . 2.92 431 389 A 51 VAL HA A 45 ASP H 1.0 . 4.18 432 390 A 44 TYR HD% A 51 VAL HA 1.0 . 4.42 433 391 A 51 VAL HA A 51 VAL HGx% 1.0 . 3.68 434 392 A 51 VAL HA A 51 VAL HGy% 1.0 . 3.67 435 393 A 51 VAL HA A 44 TYR HBy 1.0 . 5.50 436 394 A 2 GLU HGy A 45 ASP HA 1.0 . 5.49 437 395 A 42 CYS HBx A 14 CYS HA 1.0 . 5.04 438 396 A 14 CYS H A 13 THR HA 1.0 . 3.20 439 397 A 14 CYS HA A 15 LYS H 1.0 . 3.29 440 398 A 3 TYR H A 45 ASP HA 1.0 . 4.58 441 399 A 25 ALA H A 14 CYS HA 1.0 . 4.82 442 400 A 46 SER H A 45 ASP HA 1.0 . 2.91 443 401 A 27 CYS H A 13 THR HA 1.0 . 3.62 444 402 A 44 TYR HA A 50 LYS H 1.0 . 5.50 445 403 A 44 TYR HA A 44 TYR HE% 1.0 . 5.50 446 404 A 14 CYS HA A 42 CYS HBy 1.0 . 4.97 447 405 A 14 CYS HA A 15 LYS HBy 1.0 . 5.37 448 406 A 14 CYS HA A 15 LYS HBx 1.0 . 4.64 449 407 A 13 THR HA A 26 LYS HD2 1.0 . 5.12 450 407 A 13 THR HA A 26 LYS HD3 1.0 . 5.12 451 408 A 14 CYS HA A 25 ALA HB% 1.0 . 5.36 452 409 A 13 THR HA A 13 THR HG2% 1.0 . 3.52 453 410 A 4 LYS HA A 5 GLY H 1.0 . 2.81 454 411 A 14 CYS HA A 7 CYS HBy 1.0 . 3.70 455 412 A 13 THR HA A 27 CYS HBx 1.0 . 5.12 456 413 A 4 LYS HA A 4 LYS HD2 1.0 . 4.83 457 413 A 4 LYS HA A 4 LYS HD3 1.0 . 4.83 458 414 A 24 LEU HD1% A 14 CYS HA 1.0 . 4.68 459 415 A 2 GLU HA A 2 GLU H 1.0 . 2.77 460 416 A 54 ASP HA A 54 ASP H 1.0 . 2.88 461 417 A 3 TYR HD% A 3 TYR HA 1.0 . 4.95 462 418 A 38 ASP HA A 37 LYS HG2 1.0 . 4.88 463 418 A 37 LYS HG3 A 38 ASP HA 1.0 . 4.88 464 419 A 5 GLY HAy A 16 TYR HBy 1.0 . 4.89 465 420 A 39 GLY HAx A 38 ASP HA 1.0 . 5.47 466 421 A 9 THR H A 38 ASP HA 1.0 . 3.90 467 422 A 39 GLY H A 38 ASP HA 1.0 . 2.89 468 423 A 40 ASN H A 38 ASP HA 1.0 . 4.08 469 424 A 9 THR HG2% A 38 ASP HA 1.0 . 5.50 470 425 A 34 LYS HA A 35 CYS H 1.0 . 3.14 471 426 A 27 CYS HA A 26 LYS HD2 1.0 . 3.81 472 426 A 27 CYS HA A 26 LYS HD3 1.0 . 3.81 473 427 A 34 LYS HA A 12 ASN HD22 1.0 . 4.50 474 428 A 27 CYS HA A 51 VAL HGx% 1.0 . 4.99 475 429 A 27 CYS HA A 51 VAL HB 1.0 . 3.90 476 430 A 52 LYS HA A 50 LYS HG2 1.0 . 4.33 477 430 A 52 LYS HA A 50 LYS HG3 1.0 . 4.33 478 431 A 41 LYS HA A 40 ASN HA 1.0 . 5.50 479 432 A 7 CYS H A 40 ASN HA 1.0 . 5.28 480 433 A 48 ASN HA A 48 ASN HD21 1.0 . 5.41 481 434 A 47 TYR HA A 47 TYR HD% 1.0 . 3.39 482 435 A 48 ASN HA A 48 ASN HD22 1.0 . 4.84 483 436 A 21 LYS HA A 23 TYR HE% 1.0 . 5.50 484 437 A 22 THR HG2% A 21 LYS HA 1.0 . 5.50 485 438 A 57 HIS HA A 57 HIS HD2 1.0 . 4.96 486 439 A 35 CYS HA A 37 LYS H 1.0 . 4.35 487 440 A 55 PHE HD% A 55 PHE HA 1.0 . 3.50 488 441 A 3 TYR HE% A 46 SER HBy 1.0 . 4.01 489 442 A 44 TYR HE% A 46 SER HBy 1.0 . 4.03 490 443 A 19 ASP HA A 18 ILE HG2% 1.0 . 5.50 491 444 A 46 SER H A 46 SER HBy 1.0 . 3.86 492 445 A 44 TYR HD% A 50 LYS HA 1.0 . 4.97 493 446 A 50 LYS HA A 51 VAL HB 1.0 . 4.84 494 447 A 50 LYS HA A 51 VAL HGx% 1.0 . 4.67 495 448 A 26 LYS HA A 27 CYS HBx 1.0 . 4.74 496 449 A 41 LYS HA A 7 CYS H 1.0 . 4.51 497 450 A 22 THR HA A 23 TYR HD% 1.0 . 4.31 498 451 A 22 THR HA A 17 LYS HGx 1.0 . 4.48 499 452 A 39 GLY HAy A 38 ASP HBy 1.0 . 4.77 500 453 A 37 LYS HA A 38 ASP H 1.0 . 2.71 501 454 A 9 THR HG2% A 37 LYS HA 1.0 . 3.50 502 455 A 29 SER HA A 12 ASN HD22 1.0 . 3.89 503 456 A 12 ASN HD21 A 29 SER HA 1.0 . 3.68 504 457 A 34 LYS H A 33 THR HB 1.0 . 4.89 505 458 A 37 LYS HA A 38 ASP HBx 1.0 . 4.81 506 459 A 33 THR HB A 28 PRO HBy 1.0 . 3.95 507 460 A 33 THR HB A 28 PRO HGx 1.0 . 5.00 508 461 A 23 TYR HA A 24 LEU HBy 1.0 . 5.28 509 462 A 23 TYR HA A 23 TYR HD% 1.0 . 3.67 510 463 A 23 TYR HA A 23 TYR HE% 1.0 . 5.37 511 464 A 22 THR HG2% A 23 TYR HA 1.0 . 5.13 512 465 A 36 GLU HA A 36 GLU HGx 1.0 . 4.20 513 466 A 9 THR HB A 10 LYS H 1.0 . 4.98 514 467 A 9 THR HB A 10 LYS HBy 1.0 . 3.87 515 468 A 18 ILE HA A 3 TYR HE% 1.0 . 5.33 516 469 A 18 ILE HA A 17 LYS HGy 1.0 . 4.75 517 470 A 18 ILE HA A 18 ILE HG2% 1.0 . 3.57 518 471 A 18 ILE HA A 18 ILE HD1% 1.0 . 4.82 519 472 A 18 ILE HA A 23 TYR HE% 1.0 . 5.50 520 473 A 43 THR HB A 2 GLU HB2 1.0 . 4.69 521 473 A 43 THR HB A 2 GLU HB3 1.0 . 4.69 522 474 A 10 LYS HA A 12 ASN H 1.0 . 5.11 523 475 A 13 THR HB A 13 THR H 1.0 . 3.84 524 476 A 13 THR HB A 24 LEU HD1% 1.0 . 4.13 525 477 A 46 SER HA A 49 ARG HGy 1.0 . 5.16 526 478 A 13 THR HB A 8 PHE HD% 1.0 . 4.42 527 479 A 46 SER HBx A 3 TYR HE% 1.0 . 3.61 528 480 A 29 SER H A 29 SER HBy 1.0 . 3.86 529 481 A 30 ALA H A 29 SER HBy 1.0 . 4.71 530 482 A 46 SER HBx A 46 SER H 1.0 . 3.41 531 483 A 31 ALA HA A 33 THR H 1.0 . 4.61 532 484 A 31 ALA HA A 34 LYS HGx 1.0 . 5.09 533 485 A 30 ALA H A 29 SER HBx 1.0 . 5.06 534 486 A 12 ASN HD21 A 29 SER HBx 1.0 . 5.49 535 487 A 12 ASN HD22 A 29 SER HBx 1.0 . 5.50 536 488 A 53 CYS H A 28 PRO HDy 1.0 . 4.36 537 489 A 28 PRO HDy A 27 CYS HBy 1.0 . 3.99 538 490 A 28 PRO HDy A 27 CYS HBx 1.0 . 4.53 539 491 A 51 VAL HGy% A 28 PRO HDy 1.0 . 4.31 540 492 A 22 THR HB A 23 TYR H 1.0 . 4.53 541 493 A 44 TYR HD% A 49 ARG HA 1.0 . 5.03 542 494 A 49 ARG HA A 49 ARG HD2 1.0 . 4.39 543 494 A 49 ARG HA A 49 ARG HD3 1.0 . 4.39 544 495 A 49 ARG HA A 50 LYS H 1.0 . 3.56 545 496 A 49 ARG HA A 48 ASN H 1.0 . 4.28 546 497 A 44 TYR HE% A 49 ARG HA 1.0 . 3.71 547 498 A 49 ARG HA A 49 ARG HGy 1.0 . 3.95 548 499 A 49 ARG HA A 50 LYS HB2 1.0 . 5.10 549 499 A 49 ARG HA A 50 LYS HB3 1.0 . 5.10 550 500 A 20 GLY HAx A 19 ASP HBx 1.0 . 5.23 551 501 A 20 GLY HAx A 21 LYS HGy 1.0 . 5.50 552 502 A 8 PHE H A 7 CYS HBy 1.0 . 3.71 553 503 A 28 PRO HDx A 27 CYS HBy 1.0 . 3.98 554 504 A 28 PRO HDx A 27 CYS HBx 1.0 . 5.05 555 505 A 28 PRO HDx A 51 VAL HGx% 1.0 . 5.50 556 506 A 27 CYS H A 28 PRO HDx 1.0 . 5.50 557 507 A 43 THR H A 42 CYS HBy 1.0 . 3.94 558 508 A 39 GLY HAx A 6 GLU HBy 1.0 . 4.26 559 509 A 39 GLY HAx A 6 GLU HBx 1.0 . 3.95 560 510 A 7 CYS H A 39 GLY HAx 1.0 . 5.44 561 511 A 43 THR H A 42 CYS HBx 1.0 . 3.53 562 512 A 41 LYS H A 40 ASN HBy 1.0 . 3.74 563 513 A 40 ASN HD22 A 40 ASN HBy 1.0 . 3.76 564 514 A 40 ASN HBy A 37 LYS H 1.0 . 4.63 565 515 A 40 ASN HBy A 40 ASN H 1.0 . 3.49 566 516 A 8 PHE H A 8 PHE HBy 1.0 . 4.00 567 517 A 27 CYS H A 12 ASN HBy 1.0 . 5.26 568 518 A 13 THR H A 12 ASN HBy 1.0 . 4.60 569 519 A 12 ASN HD22 A 12 ASN HBy 1.0 . 3.42 570 520 A 28 PRO HDy A 53 CYS HBx 1.0 . 3.23 571 521 A 12 ASN HD21 A 12 ASN HBy 1.0 . 3.93 572 522 A 12 ASN HBy A 26 LYS HD2 1.0 . 5.15 573 522 A 26 LYS HD3 A 12 ASN HBy 1.0 . 5.15 574 523 A 7 CYS H A 40 ASN HBx 1.0 . 5.11 575 524 A 40 ASN HD22 A 40 ASN HBx 1.0 . 3.87 576 525 A 35 CYS HBy A 9 THR HG2% 1.0 . 4.82 577 526 A 35 CYS HBy A 36 GLU H 1.0 . 4.43 578 527 A 35 CYS HBy A 37 LYS H 1.0 . 4.18 579 528 A 55 PHE H A 55 PHE HBy 1.0 . 3.85 580 529 A 56 ARG H A 55 PHE HBy 1.0 . 5.50 581 530 A 44 TYR HBy A 3 TYR HBy 1.0 . 5.10 582 531 A 17 LYS H A 3 TYR HBy 1.0 . 5.32 583 532 A 4 LYS H A 3 TYR HBy 1.0 . 4.11 584 533 A 16 TYR HD% A 3 TYR HBy 1.0 . 4.06 585 534 A 3 TYR H A 3 TYR HBy 1.0 . 4.04 586 535 A 44 TYR HD% A 3 TYR HBy 1.0 . 4.68 587 536 A 45 ASP HBy A 45 ASP H 1.0 . 3.42 588 537 A 45 ASP HBy A 48 ASN H 1.0 . 4.93 589 538 A 45 ASP HBy A 46 SER H 1.0 . 4.69 590 539 A 45 ASP HBy A 50 LYS H 1.0 . 3.59 591 540 A 49 ARG H A 45 ASP HBy 1.0 . 4.35 592 541 A 45 ASP HBy A 50 LYS HB2 1.0 . 3.86 593 541 A 50 LYS HB3 A 45 ASP HBy 1.0 . 3.86 594 542 A 44 TYR HE% A 49 ARG HD2 1.0 . 5.14 595 542 A 44 TYR HE% A 49 ARG HD3 1.0 . 5.14 596 543 A 56 ARG HB3 A 56 ARG HD2 1.0 . 3.75 597 543 A 56 ARG HD3 A 56 ARG HB2 1.0 . 3.75 598 543 A 56 ARG HB3 A 56 ARG HD3 1.0 . 3.75 599 543 A 56 ARG HB2 A 56 ARG HD2 1.0 . 3.75 600 544 A 57 HIS H A 57 HIS HBx 1.0 . 3.75 601 545 A 47 TYR HBy A 48 ASN H 1.0 . 3.95 602 546 A 47 TYR HBy A 47 TYR H 1.0 . 3.41 603 547 A 41 LYS HB3 A 41 LYS HE2 1.0 . 3.45 604 547 A 41 LYS HB2 A 41 LYS HE2 1.0 . 3.45 605 547 A 41 LYS HE3 A 41 LYS HB2 1.0 . 3.45 606 547 A 41 LYS HB3 A 41 LYS HE3 1.0 . 3.45 607 548 A 12 ASN HD22 A 27 CYS HBy 1.0 . 4.62 608 549 A 12 ASN HD21 A 27 CYS HBy 1.0 . 4.28 609 550 A 42 CYS H A 41 LYS HE2 1.0 . 5.50 610 550 A 42 CYS H A 41 LYS HE3 1.0 . 5.50 611 551 A 20 GLY H A 19 ASP HBy 1.0 . 4.37 612 552 A 48 ASN HD22 A 47 TYR HBx 1.0 . 5.50 613 553 A 47 TYR H A 47 TYR HBx 1.0 . 3.33 614 554 A 49 ARG H A 47 TYR HBx 1.0 . 5.22 615 555 A 48 ASN H A 47 TYR HBx 1.0 . 3.65 616 556 A 35 CYS HBx A 35 CYS H 1.0 . 3.35 617 557 A 48 ASN HD22 A 50 LYS HE2 1.0 . 4.68 618 557 A 48 ASN HD22 A 50 LYS HE3 1.0 . 4.68 619 558 A 48 ASN HD21 A 50 LYS HE2 1.0 . 5.50 620 558 A 48 ASN HD21 A 50 LYS HE3 1.0 . 5.50 621 559 A 34 LYS H A 32 ASN HBy 1.0 . 5.12 622 560 A 35 CYS HBx A 34 LYS HB2 1.0 . 4.72 623 560 A 35 CYS HBx A 34 LYS HB3 1.0 . 4.72 624 561 A 22 THR HG2% A 15 LYS HEy 1.0 . 5.06 625 562 A 7 CYS HA A 8 PHE HBx 1.0 . 4.83 626 563 A 9 THR H A 8 PHE HBx 1.0 . 4.36 627 564 A 8 PHE H A 8 PHE HBx 1.0 . 3.69 628 565 A 13 THR H A 8 PHE HBx 1.0 . 4.76 629 566 A 12 ASN HD22 A 27 CYS HBx 1.0 . 4.23 630 567 A 27 CYS H A 27 CYS HBx 1.0 . 3.36 631 568 A 12 ASN HD21 A 27 CYS HBx 1.0 . 4.01 632 569 A 23 TYR HE% A 21 LYS HE2 1.0 . 5.27 633 569 A 23 TYR HE% A 21 LYS HE3 1.0 . 5.27 634 570 A 22 THR HG2% A 21 LYS HE2 1.0 . 5.22 635 570 A 22 THR HG2% A 21 LYS HE3 1.0 . 5.22 636 571 A 51 VAL HGx% A 14 CYS HBy 1.0 . 5.34 637 572 A 25 ALA H A 14 CYS HBy 1.0 . 4.39 638 573 A 14 CYS H A 14 CYS HBy 1.0 . 3.44 639 574 A 49 ARG H A 48 ASN HBy 1.0 . 5.16 640 575 A 48 ASN HD21 A 48 ASN HBy 1.0 . 3.85 641 576 A 50 LYS H A 48 ASN HBy 1.0 . 5.50 642 577 A 48 ASN H A 48 ASN HBy 1.0 . 3.95 643 578 A 47 TYR HD% A 48 ASN HBy 1.0 . 5.13 644 579 A 17 LYS H A 16 TYR HBy 1.0 . 3.54 645 580 A 14 CYS HBy A 15 LYS H 1.0 . 4.44 646 581 A 7 CYS HBx A 7 CYS H 1.0 . 3.96 647 582 A 15 LYS HBy A 15 LYS HEx 1.0 . 4.94 648 583 A 22 THR HG2% A 15 LYS HEx 1.0 . 4.37 649 584 A 7 CYS HBx A 40 ASN HBx 1.0 . 4.67 650 585 A 14 CYS HBx A 15 LYS H 1.0 . 4.54 651 586 A 39 GLY H A 38 ASP HBy 1.0 . 4.11 652 587 A 38 ASP H A 38 ASP HBy 1.0 . 3.65 653 588 A 55 PHE HBx A 55 PHE H 1.0 . 3.73 654 589 A 9 THR HG2% A 38 ASP HBy 1.0 . 5.50 655 590 A 14 CYS HBx A 51 VAL HGx% 1.0 . 5.50 656 591 A 42 CYS HBx A 14 CYS HBx 1.0 . 3.86 657 592 A 18 ILE HG2% A 19 ASP HBx 1.0 . 4.25 658 593 A 39 GLY H A 38 ASP HBx 1.0 . 4.43 659 594 A 9 THR HG2% A 38 ASP HBx 1.0 . 5.50 660 595 A 38 ASP H A 38 ASP HBx 1.0 . 3.30 661 596 A 5 GLY HAy A 16 TYR HBx 1.0 . 3.63 662 597 A 3 TYR HBx A 18 ILE HD1% 1.0 . 5.50 663 598 A 6 GLU H A 16 TYR HBx 1.0 . 5.17 664 599 A 17 LYS H A 16 TYR HBx 1.0 . 4.06 665 600 A 3 TYR HBx A 3 TYR H 1.0 . 3.63 666 601 A 3 TYR HBx A 4 LYS H 1.0 . 4.49 667 602 A 44 TYR HD% A 3 TYR HBx 1.0 . 4.33 668 603 A 44 TYR HBx A 16 TYR HBx 1.0 . 3.95 669 604 A 54 ASP HBy A 54 ASP H 1.0 . 3.70 670 605 A 48 ASN HBx A 48 ASN H 1.0 . 4.01 671 606 A 48 ASN HBx A 47 TYR HD% 1.0 . 4.33 672 607 A 49 ARG H A 48 ASN HBx 1.0 . 5.36 673 608 A 12 ASN HBx A 12 ASN HD22 1.0 . 3.70 674 609 A 45 ASP HBx A 46 SER H 1.0 . 4.51 675 610 A 45 ASP HBx A 45 ASP H 1.0 . 3.55 676 611 A 12 ASN HBx A 12 ASN H 1.0 . 3.62 677 612 A 29 SER H A 28 PRO HBy 1.0 . 3.93 678 613 A 30 ALA H A 28 PRO HBy 1.0 . 4.47 679 614 A 55 PHE H A 54 ASP HBx 1.0 . 5.19 680 615 A 53 CYS H A 28 PRO HGy 1.0 . 5.17 681 616 A 28 PRO HGy A 33 THR HB 1.0 . 4.75 682 617 A 16 TYR HD% A 23 TYR HBy 1.0 . 5.50 683 618 A 23 TYR H A 23 TYR HBy 1.0 . 4.03 684 619 A 24 LEU H A 23 TYR HBy 1.0 . 3.54 685 620 A 16 TYR H A 23 TYR HBy 1.0 . 5.14 686 621 A 36 GLU HGx A 37 LYS H 1.0 . 5.13 687 622 A 36 GLU HGx A 37 LYS HG2 1.0 . 5.50 688 622 A 37 LYS HG3 A 36 GLU HGx 1.0 . 5.50 689 623 A 36 GLU HGx A 40 ASN HD21 1.0 . 5.50 690 624 A 36 GLU HGx A 37 LYS HB2 1.0 . 3.90 691 624 A 36 GLU HGx A 37 LYS HB3 1.0 . 3.90 692 625 A 16 TYR H A 15 LYS HBy 1.0 . 5.36 693 626 A 6 GLU H A 15 LYS HBy 1.0 . 4.67 694 627 A 15 LYS HBy A 8 PHE HD% 1.0 . 5.29 695 628 A 15 LYS HBy A 15 LYS H 1.0 . 3.54 696 629 A 24 LEU HD1% A 15 LYS HBy 1.0 . 4.68 697 630 A 49 ARG HBy A 49 ARG HD2 1.0 . 3.96 698 630 A 49 ARG HBy A 49 ARG HD3 1.0 . 3.96 699 631 A 2 GLU HGy A 3 TYR H 1.0 . 5.02 700 632 A 51 VAL H A 51 VAL HB 1.0 . 3.38 701 633 A 44 TYR HD% A 51 VAL HB 1.0 . 4.80 702 634 A 27 CYS HA A 28 PRO HBx 1.0 . 4.88 703 635 A 10 LYS HBy A 11 ASP H 1.0 . 4.35 704 636 A 10 LYS HBy A 10 LYS H 1.0 . 3.29 705 637 A 29 SER H A 28 PRO HBx 1.0 . 4.64 706 638 A 49 ARG H A 49 ARG HBx 1.0 . 4.14 707 639 A 50 LYS H A 49 ARG HBx 1.0 . 4.80 708 640 A 30 ALA H A 28 PRO HBx 1.0 . 4.37 709 641 A 33 THR HB A 28 PRO HBx 1.0 . 4.73 710 642 A 49 ARG HBx A 49 ARG HD2 1.0 . 3.79 711 642 A 49 ARG HBx A 49 ARG HD3 1.0 . 3.79 712 643 A 26 LYS HBy A 26 LYS HE2 1.0 . 5.20 713 643 A 26 LYS HE3 A 26 LYS HBy 1.0 . 5.20 714 644 A 27 CYS H A 26 LYS HBy 1.0 . 4.29 715 645 A 16 TYR HD% A 44 TYR HBy 1.0 . 5.12 716 646 A 44 TYR HBy A 16 TYR HBx 1.0 . 4.81 717 647 A 44 TYR H A 44 TYR HBy 1.0 . 4.06 718 648 A 7 CYS H A 6 GLU HBy 1.0 . 4.20 719 649 A 5 GLY H A 4 LYS HBx 1.0 . 4.35 720 650 A 52 LYS H A 52 LYS HBy 1.0 . 4.04 721 651 A 4 LYS H A 4 LYS HBx 1.0 . 3.51 722 652 A 53 CYS H A 52 LYS HBy 1.0 . 5.22 723 653 A 29 SER HA A 34 LYS HB2 1.0 . 5.46 724 653 A 29 SER HA A 34 LYS HB3 1.0 . 5.46 725 654 A 35 CYS H A 34 LYS HB2 1.0 . 3.47 726 654 A 35 CYS H A 34 LYS HB3 1.0 . 3.47 727 655 A 34 LYS H A 34 LYS HB2 1.0 . 3.89 728 655 A 34 LYS H A 34 LYS HB3 1.0 . 3.89 729 656 A 15 LYS HEx A 15 LYS HBx 1.0 . 5.34 730 657 A 15 LYS H A 15 LYS HBx 1.0 . 3.67 731 658 A 2 GLU H A 2 GLU HB2 1.0 . 4.06 732 658 A 2 GLU HB3 A 2 GLU H 1.0 . 4.06 733 659 A 56 ARG H A 56 ARG HB2 1.0 . 3.97 734 659 A 56 ARG HB3 A 56 ARG H 1.0 . 3.97 735 660 A 57 HIS H A 56 ARG HB2 1.0 . 3.91 736 660 A 56 ARG HB3 A 57 HIS H 1.0 . 3.91 737 661 A 57 HIS HBx A 56 ARG HB2 1.0 . 3.32 738 661 A 56 ARG HB3 A 57 HIS HBx 1.0 . 3.32 739 662 A 27 CYS H A 26 LYS HD2 1.0 . 4.76 740 662 A 27 CYS H A 26 LYS HD3 1.0 . 4.76 741 663 A 41 LYS H A 41 LYS HB2 1.0 . 3.27 742 663 A 41 LYS H A 41 LYS HB3 1.0 . 3.27 743 664 A 55 PHE HD% A 41 LYS HB2 1.0 . 5.23 744 664 A 55 PHE HD% A 41 LYS HB3 1.0 . 5.23 745 665 A 21 LYS H A 21 LYS HBx 1.0 . 3.31 746 665 A 21 LYS H A 21 LYS HBy 1.0 . 3.31 747 666 A 12 ASN HD22 A 26 LYS HD2 1.0 . 4.95 748 666 A 12 ASN HD22 A 26 LYS HD3 1.0 . 4.95 749 667 A 23 TYR HE% A 21 LYS HBx 1.0 . 3.69 750 667 A 23 TYR HE% A 21 LYS HBy 1.0 . 3.69 751 668 A 10 LYS HD2 A 34 LYS HB2 1.0 . 3.25 752 668 A 10 LYS HD3 A 34 LYS HB2 1.0 . 3.25 753 668 A 34 LYS HB3 A 10 LYS HD2 1.0 . 3.25 754 668 A 10 LYS HD3 A 34 LYS HB3 1.0 . 3.25 755 669 A 35 CYS H A 10 LYS HD2 1.0 . 3.92 756 669 A 10 LYS HD3 A 35 CYS H 1.0 . 3.92 757 670 A 23 TYR HD% A 21 LYS HBx 1.0 . 4.83 758 670 A 23 TYR HD% A 21 LYS HBy 1.0 . 4.83 759 671 A 22 THR HG2% A 17 LYS HBy 1.0 . 5.31 760 672 A 18 ILE H A 17 LYS HBy 1.0 . 4.69 761 673 A 44 TYR HBx A 3 TYR HBy 1.0 . 5.04 762 674 A 10 LYS H A 10 LYS HBx 1.0 . 3.40 763 675 A 17 LYS H A 17 LYS HBy 1.0 . 3.58 764 676 A 11 ASP H A 10 LYS HBx 1.0 . 3.73 765 677 A 16 TYR HD% A 44 TYR HBx 1.0 . 4.70 766 678 A 44 TYR H A 44 TYR HBx 1.0 . 3.75 767 679 A 4 LYS HD3 A 41 LYS HE2 1.0 . 3.57 768 679 A 4 LYS HD2 A 41 LYS HE2 1.0 . 3.57 769 679 A 41 LYS HE3 A 4 LYS HD2 1.0 . 3.57 770 679 A 4 LYS HD3 A 41 LYS HE3 1.0 . 3.57 771 680 A 23 TYR HD% A 18 ILE HB 1.0 . 3.82 772 681 A 23 TYR HE% A 18 ILE HB 1.0 . 2.98 773 682 A 18 ILE HD1% A 18 ILE HB 1.0 . 3.73 774 683 A 7 CYS H A 6 GLU HBx 1.0 . 3.95 775 684 A 5 GLY HAy A 6 GLU HG2 1.0 . 4.78 776 684 A 5 GLY HAy A 6 GLU HG3 1.0 . 4.78 777 685 A 48 ASN HD22 A 50 LYS HB2 1.0 . 4.25 778 685 A 50 LYS HB3 A 48 ASN HD22 1.0 . 4.25 779 686 A 22 THR HG2% A 15 LYS HD2 1.0 . 5.06 780 686 A 22 THR HG2% A 15 LYS HD3 1.0 . 5.06 781 687 A 20 GLY HAx A 21 LYS HD2 1.0 . 5.02 782 687 A 21 LYS HD3 A 20 GLY HAx 1.0 . 5.02 783 688 A 24 LEU HD1% A 15 LYS HD2 1.0 . 4.71 784 688 A 24 LEU HD1% A 15 LYS HD3 1.0 . 4.71 785 689 A 38 ASP H A 37 LYS HB2 1.0 . 3.66 786 689 A 37 LYS HB3 A 38 ASP H 1.0 . 3.66 787 690 A 49 ARG H A 50 LYS HB2 1.0 . 4.91 788 690 A 49 ARG H A 50 LYS HB3 1.0 . 4.91 789 691 A 50 LYS H A 50 LYS HB2 1.0 . 3.02 790 691 A 50 LYS HB3 A 50 LYS H 1.0 . 3.02 791 692 A 40 ASN HD21 A 37 LYS HB2 1.0 . 3.57 792 692 A 40 ASN HD21 A 37 LYS HB3 1.0 . 3.57 793 693 A 40 ASN HD22 A 37 LYS HB2 1.0 . 4.31 794 693 A 40 ASN HD22 A 37 LYS HB3 1.0 . 4.31 795 694 A 37 LYS H A 37 LYS HB2 1.0 . 3.44 796 694 A 37 LYS H A 37 LYS HB3 1.0 . 3.44 797 695 A 56 ARG H A 56 ARG HG2 1.0 . 4.72 798 695 A 56 ARG HG3 A 56 ARG H 1.0 . 4.72 799 696 A 24 LEU H A 24 LEU HBy 1.0 . 3.43 800 697 A 24 LEU HD1% A 24 LEU HBy 1.0 . 3.78 801 698 A 44 TYR HE% A 49 ARG HGy 1.0 . 5.44 802 699 A 24 LEU HBy A 15 LYS HEy 1.0 . 3.93 803 700 A 4 LYS HGy A 41 LYS HE2 1.0 . 5.18 804 700 A 4 LYS HGy A 41 LYS HE3 1.0 . 5.18 805 701 A 31 ALA HA A 30 ALA HB% 1.0 . 4.53 806 702 A 4 LYS HGx A 5 GLY H 1.0 . 5.23 807 703 A 30 ALA HB% A 28 PRO HBy 1.0 . 5.50 808 704 A 30 ALA HB% A 31 ALA H 1.0 . 4.47 809 705 A 30 ALA HB% A 33 THR H 1.0 . 4.33 810 706 A 30 ALA H A 30 ALA HB% 1.0 . 3.21 811 707 A 29 SER H A 30 ALA HB% 1.0 . 5.14 812 708 A 34 LYS H A 30 ALA HB% 1.0 . 4.75 813 709 A 18 ILE H A 17 LYS HBx 1.0 . 4.33 814 710 A 17 LYS H A 17 LYS HBx 1.0 . 4.06 815 711 A 53 CYS H A 52 LYS HBx 1.0 . 4.72 816 712 A 43 THR H A 52 LYS HBx 1.0 . 4.87 817 713 A 17 LYS HBx A 17 LYS HEy 1.0 . 3.86 818 714 A 17 LYS HGy A 17 LYS HBx 1.0 . 2.86 819 715 A 52 LYS H A 52 LYS HBx 1.0 . 4.04 820 716 A 15 LYS HGy A 15 LYS H 1.0 . 5.15 821 717 A 10 LYS HGy A 10 LYS H 1.0 . 4.89 822 718 A 49 ARG H A 49 ARG HGx 1.0 . 4.19 823 719 A 49 ARG HA A 49 ARG HGx 1.0 . 3.62 824 720 A 31 ALA H A 31 ALA HB% 1.0 . 3.94 825 721 A 32 ASN H A 31 ALA HB% 1.0 . 4.63 826 722 A 32 ASN HD21 A 31 ALA HB% 1.0 . 5.00 827 723 A 12 ASN HD21 A 34 LYS HGy 1.0 . 5.07 828 724 A 35 CYS H A 34 LYS HGy 1.0 . 5.50 829 725 A 40 ASN H A 37 LYS HG2 1.0 . 5.46 830 725 A 37 LYS HG3 A 40 ASN H 1.0 . 5.46 831 726 A 14 CYS HBx A 25 ALA HB% 1.0 . 4.66 832 727 A 14 CYS H A 25 ALA HB% 1.0 . 5.03 833 728 A 25 ALA H A 25 ALA HB% 1.0 . 3.75 834 729 A 26 LYS H A 25 ALA HB% 1.0 . 3.92 835 730 A 16 TYR HD% A 25 ALA HB% 1.0 . 4.94 836 731 A 44 TYR HD% A 25 ALA HB% 1.0 . 4.09 837 732 A 44 TYR HE% A 25 ALA HB% 1.0 . 4.51 838 733 A 14 CYS HBy A 25 ALA HB% 1.0 . 4.54 839 734 A 37 LYS H A 37 LYS HG2 1.0 . 4.96 840 734 A 37 LYS HG3 A 37 LYS H 1.0 . 4.96 841 735 A 10 LYS HGx A 10 LYS H 1.0 . 5.10 842 736 A 10 LYS HGx A 11 ASP H 1.0 . 5.14 843 737 A 21 LYS HGy A 21 LYS HE2 1.0 . 4.16 844 737 A 21 LYS HE3 A 21 LYS HGy 1.0 . 4.16 845 738 A 42 CYS H A 41 LYS HDy 1.0 . 4.83 846 739 A 23 TYR HE% A 21 LYS HGy 1.0 . 5.50 847 740 A 22 THR H A 21 LYS HGy 1.0 . 4.83 848 741 A 17 LYS HGy A 17 LYS HEy 1.0 . 3.81 849 742 A 48 ASN HD22 A 50 LYS HG2 1.0 . 4.43 850 742 A 50 LYS HG3 A 48 ASN HD22 1.0 . 4.43 851 743 A 48 ASN HD21 A 50 LYS HG2 1.0 . 4.30 852 743 A 48 ASN HD21 A 50 LYS HG3 1.0 . 4.30 853 744 A 51 VAL H A 50 LYS HG2 1.0 . 4.90 854 744 A 51 VAL H A 50 LYS HG3 1.0 . 4.90 855 745 A 25 ALA H A 24 LEU HBx 1.0 . 4.07 856 746 A 24 LEU H A 24 LEU HBx 1.0 . 3.98 857 747 A 16 TYR H A 15 LYS HGx 1.0 . 4.72 858 748 A 22 THR HG2% A 17 LYS HGx 1.0 . 4.18 859 749 A 15 LYS HGx A 15 LYS H 1.0 . 5.11 860 750 A 17 LYS H A 17 LYS HGx 1.0 . 4.74 861 751 A 18 ILE H A 17 LYS HGx 1.0 . 5.14 862 752 A 24 LEU H A 23 TYR HBx 1.0 . 4.12 863 753 A 51 VAL HGx% A 45 ASP H 1.0 . 5.20 864 754 A 44 TYR HD% A 51 VAL HGx% 1.0 . 3.31 865 755 A 44 TYR HE% A 51 VAL HGx% 1.0 . 4.07 866 756 A 51 VAL HGx% A 25 ALA HB% 1.0 . 3.41 867 757 A 44 TYR H A 51 VAL HGy% 1.0 . 4.36 868 758 A 13 THR HG2% A 8 PHE HD% 1.0 . 3.81 869 759 A 51 VAL HGy% A 43 THR H 1.0 . 4.23 870 760 A 22 THR H A 21 LYS HGx 1.0 . 5.17 871 761 A 21 LYS H A 21 LYS HGx 1.0 . 3.78 872 762 A 20 GLY HAx A 21 LYS HGx 1.0 . 5.31 873 763 A 14 CYS H A 13 THR HG2% 1.0 . 3.98 874 764 A 27 CYS H A 13 THR HG2% 1.0 . 4.83 875 765 A 52 LYS H A 51 VAL HGy% 1.0 . 3.75 876 766 A 51 VAL HGy% A 42 CYS HBx 1.0 . 5.34 877 767 A 23 TYR HE% A 18 ILE HG1y 1.0 . 4.35 878 768 A 51 VAL HGy% A 14 CYS HBx 1.0 . 3.78 879 769 A 16 TYR HD% A 18 ILE HG1y 1.0 . 4.12 880 770 A 18 ILE H A 18 ILE HG1y 1.0 . 4.52 881 771 A 51 VAL HGy% A 28 PRO HDx 1.0 . 4.85 882 772 A 9 THR HG2% A 36 GLU H 1.0 . 5.50 883 773 A 9 THR HG2% A 35 CYS HBx 1.0 . 5.00 884 774 A 9 THR HG2% A 10 LYS H 1.0 . 4.78 885 775 A 9 THR H A 9 THR HG2% 1.0 . 3.44 886 776 A 9 THR HG2% A 38 ASP H 1.0 . 3.76 887 777 A 9 THR HG2% A 37 LYS H 1.0 . 4.15 888 778 A 9 THR HG2% A 39 GLY H 1.0 . 5.50 889 779 A 23 TYR H A 22 THR HG2% 1.0 . 3.77 890 780 A 22 THR HG2% A 16 TYR H 1.0 . 4.82 891 781 A 22 THR HG2% A 23 TYR HD% 1.0 . 5.50 892 782 A 22 THR HG2% A 24 LEU H 1.0 . 5.50 893 783 A 34 LYS H A 34 LYS HGx 1.0 . 3.77 894 784 A 12 ASN HD21 A 34 LYS HGx 1.0 . 5.50 895 785 A 24 LEU H A 24 LEU HD1% 1.0 . 4.48 896 786 A 14 CYS H A 24 LEU HD1% 1.0 . 5.50 897 787 A 24 LEU HD1% A 15 LYS H 1.0 . 5.29 898 788 A 25 ALA H A 24 LEU HD1% 1.0 . 4.50 899 789 A 16 TYR H A 24 LEU HD1% 1.0 . 5.00 900 790 A 24 LEU HD1% A 15 LYS HBx 1.0 . 4.37 901 791 A 13 THR HG2% A 24 LEU HD1% 1.0 . 3.50 902 792 A 40 ASN HA A 41 LYS HG2 1.0 . 5.23 903 792 A 40 ASN HA A 41 LYS HG3 1.0 . 5.23 904 793 A 18 ILE HG2% A 3 TYR HD% 1.0 . 4.34 905 794 A 41 LYS H A 41 LYS HG2 1.0 . 4.58 906 794 A 41 LYS H A 41 LYS HG3 1.0 . 4.58 907 795 A 42 CYS H A 41 LYS HG2 1.0 . 4.11 908 795 A 42 CYS H A 41 LYS HG3 1.0 . 4.11 909 796 A 18 ILE HG2% A 3 TYR HE% 1.0 . 4.04 910 797 A 42 CYS HA A 41 LYS HG2 1.0 . 5.50 911 797 A 42 CYS HA A 41 LYS HG3 1.0 . 5.50 912 798 A 18 ILE HG2% A 19 ASP H 1.0 . 5.50 913 799 A 18 ILE HG2% A 16 TYR HE% 1.0 . 5.50 914 800 A 18 ILE H A 18 ILE HG2% 1.0 . 5.05 915 801 A 52 LYS HGx A 53 CYS H 1.0 . 4.82 916 802 A 52 LYS HGx A 43 THR H 1.0 . 5.50 917 803 A 52 LYS HGx A 54 ASP HBy 1.0 . 4.61 918 804 A 52 LYS H A 52 LYS HGx 1.0 . 5.50 919 805 A 18 ILE H A 18 ILE HD1% 1.0 . 5.19 920 806 A 23 TYR HE% A 18 ILE HD1% 1.0 . 4.35 921 807 A 16 TYR HD% A 18 ILE HD1% 1.0 . 4.67 922 808 A 18 ILE HD1% A 3 TYR HD% 1.0 . 4.92 923 809 A 44 TYR HE% A 18 ILE HD1% 1.0 . 4.90 924 810 A 18 ILE HG1x A 23 TYR HE% 1.0 . 5.27 925 811 A 18 ILE HG1x A 16 TYR HE% 1.0 . 4.85 926 812 A 18 ILE HG1x A 18 ILE H 1.0 . 5.18 927 813 A 18 ILE HG1x A 3 TYR HD% 1.0 . 5.05 928 814 A 18 ILE HG1x A 23 TYR HD% 1.0 . 4.66 929 815 A 18 ILE HG1x A 18 ILE HG2% 1.0 . 3.94 930 816 A 18 ILE HG1x A 16 TYR HD% 1.0 . 4.75 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 GLU C A 3 TYR N A 3 TYR CA A 3 TYR C 1.0 -124.737 -83.307 PHI 2 2 A 3 TYR N A 3 TYR CA A 3 TYR C A 4 LYS N 1.0 124.376 143.270 PSI 3 3 A 3 TYR C A 4 LYS N A 4 LYS CA A 4 LYS C 1.0 -124.384 -83.792 PHI 4 4 A 4 LYS N A 4 LYS CA A 4 LYS C A 5 GLY N 1.0 112.016 142.514 PSI 5 5 A 4 LYS C A 5 GLY N A 5 GLY CA A 5 GLY C 1.0 -132.013 -92.557 PHI 6 6 A 5 GLY N A 5 GLY CA A 5 GLY C A 6 GLU N 1.0 126.906 152.228 PSI 7 7 A 5 GLY C A 6 GLU N A 6 GLU CA A 6 GLU C 1.0 -141.782 -115.642 PHI 8 8 A 6 GLU N A 6 GLU CA A 6 GLU C A 7 CYS N 1.0 137.124 165.454 PSI 9 9 A 6 GLU C A 7 CYS N A 7 CYS CA A 7 CYS C 1.0 -154.641 -126.013 PHI 10 10 A 7 CYS N A 7 CYS CA A 7 CYS C A 8 PHE N 1.0 153.360 169.876 PSI 11 11 A 7 CYS C A 8 PHE N A 8 PHE CA A 8 PHE C 1.0 -138.986 -98.866 PHI 12 12 A 8 PHE N A 8 PHE CA A 8 PHE C A 9 THR N 1.0 139.755 159.529 PSI 13 13 A 8 PHE C A 9 THR N A 9 THR CA A 9 THR C 1.0 -118.545 -42.047 PHI 14 14 A 9 THR N A 9 THR CA A 9 THR C A 10 LYS N 1.0 141.538 165.304 PSI 15 15 A 9 THR C A 10 LYS N A 10 LYS CA A 10 LYS C 1.0 -66.144 -52.534 PHI 16 16 A 10 LYS N A 10 LYS CA A 10 LYS C A 11 ASP N 1.0 -41.068 -14.794 PSI 17 17 A 10 LYS C A 11 ASP N A 11 ASP CA A 11 ASP C 1.0 -106.551 -88.199 PHI 18 18 A 11 ASP N A 11 ASP CA A 11 ASP C A 12 ASN N 1.0 -2.479 12.509 PSI 19 19 A 12 ASN C A 13 THR N A 13 THR CA A 13 THR C 1.0 -160.034 -132.788 PHI 20 20 A 13 THR N A 13 THR CA A 13 THR C A 14 CYS N 1.0 137.187 169.641 PSI 21 21 A 13 THR C A 14 CYS N A 14 CYS CA A 14 CYS C 1.0 -155.788 -116.300 PHI 22 22 A 14 CYS N A 14 CYS CA A 14 CYS C A 15 LYS N 1.0 123.777 141.435 PSI 23 23 A 14 CYS C A 15 LYS N A 15 LYS CA A 15 LYS C 1.0 -132.611 -104.313 PHI 24 24 A 15 LYS N A 15 LYS CA A 15 LYS C A 16 TYR N 1.0 112.170 132.530 PSI 25 25 A 15 LYS C A 16 TYR N A 16 TYR CA A 16 TYR C 1.0 -158.527 -109.001 PHI 26 26 A 16 TYR N A 16 TYR CA A 16 TYR C A 17 LYS N 1.0 132.622 173.464 PSI 27 27 A 16 TYR C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -145.253 -116.849 PHI 28 28 A 17 LYS N A 17 LYS CA A 17 LYS C A 18 ILE N 1.0 138.797 170.387 PSI 29 29 A 17 LYS C A 18 ILE N A 18 ILE CA A 18 ILE C 1.0 -129.390 -75.790 PHI 30 30 A 18 ILE N A 18 ILE CA A 18 ILE C A 19 ASP N 1.0 117.315 142.981 PSI 31 31 A 18 ILE C A 19 ASP N A 19 ASP CA A 19 ASP C 1.0 -104.817 -56.389 PHI 32 32 A 19 ASP N A 19 ASP CA A 19 ASP C A 20 GLY N 1.0 122.285 139.957 PSI 33 33 A 20 GLY C A 21 LYS N A 21 LYS CA A 21 LYS C 1.0 -124.616 -82.478 PHI 34 34 A 21 LYS N A 21 LYS CA A 21 LYS C A 22 THR N 1.0 103.874 145.472 PSI 35 35 A 21 LYS C A 22 THR N A 22 THR CA A 22 THR C 1.0 -108.014 -71.828 PHI 36 36 A 22 THR N A 22 THR CA A 22 THR C A 23 TYR N 1.0 122.333 139.751 PSI 37 37 A 22 THR C A 23 TYR N A 23 TYR CA A 23 TYR C 1.0 -150.278 -104.906 PHI 38 38 A 23 TYR N A 23 TYR CA A 23 TYR C A 24 LEU N 1.0 148.607 167.443 PSI 39 39 A 23 TYR C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -127.499 -99.547 PHI 40 40 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 ALA N 1.0 115.044 148.252 PSI 41 41 A 24 LEU C A 25 ALA N A 25 ALA CA A 25 ALA C 1.0 -140.438 -119.754 PHI 42 42 A 25 ALA N A 25 ALA CA A 25 ALA C A 26 LYS N 1.0 128.365 150.891 PSI 43 43 A 25 ALA C A 26 LYS N A 26 LYS CA A 26 LYS C 1.0 -109.971 -82.321 PHI 44 44 A 26 LYS N A 26 LYS CA A 26 LYS C A 27 CYS N 1.0 123.432 136.888 PSI 45 45 A 26 LYS C A 27 CYS N A 27 CYS CA A 27 CYS C 1.0 -143.798 -121.536 PHI 46 46 A 27 CYS N A 27 CYS CA A 27 CYS C A 28 PRO N 1.0 111.737 167.567 PSI 47 47 A 28 PRO N A 28 PRO CA A 28 PRO C A 29 SER N 1.0 135.011 159.493 PSI 48 48 A 30 ALA C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -77.574 -49.264 PHI 49 49 A 31 ALA N A 31 ALA CA A 31 ALA C A 32 ASN N 1.0 -42.782 -11.270 PSI 50 50 A 31 ALA C A 32 ASN N A 32 ASN CA A 32 ASN C 1.0 -82.418 -66.686 PHI 51 51 A 32 ASN N A 32 ASN CA A 32 ASN C A 33 THR N 1.0 -27.122 -2.094 PSI 52 52 A 32 ASN C A 33 THR N A 33 THR CA A 33 THR C 1.0 -117.465 -83.503 PHI 53 53 A 33 THR N A 33 THR CA A 33 THR C A 34 LYS N 1.0 -13.233 16.981 PSI 54 54 A 33 THR C A 34 LYS N A 34 LYS CA A 34 LYS C 1.0 -160.756 -87.816 PHI 55 55 A 34 LYS N A 34 LYS CA A 34 LYS C A 35 CYS N 1.0 144.318 175.472 PSI 56 56 A 34 LYS C A 35 CYS N A 35 CYS CA A 35 CYS C 1.0 -144.453 -87.489 PHI 57 57 A 35 CYS N A 35 CYS CA A 35 CYS C A 36 GLU N 1.0 109.699 171.375 PSI 58 58 A 35 CYS C A 36 GLU N A 36 GLU CA A 36 GLU C 1.0 -88.062 -70.902 PHI 59 59 A 36 GLU N A 36 GLU CA A 36 GLU C A 37 LYS N 1.0 -47.630 17.778 PSI 60 60 A 36 GLU C A 37 LYS N A 37 LYS CA A 37 LYS C 1.0 -149.490 -102.592 PHI 61 61 A 37 LYS N A 37 LYS CA A 37 LYS C A 38 ASP N 1.0 125.770 151.212 PSI 62 62 A 37 LYS C A 38 ASP N A 38 ASP CA A 38 ASP C 1.0 -66.305 -50.465 PHI 63 63 A 38 ASP N A 38 ASP CA A 38 ASP C A 39 GLY N 1.0 126.263 151.323 PSI 64 64 A 38 ASP C A 39 GLY N A 39 GLY CA A 39 GLY C 1.0 77.402 96.408 PHI 65 65 A 39 GLY N A 39 GLY CA A 39 GLY C A 40 ASN N 1.0 -17.461 9.983 PSI 66 66 A 39 GLY C A 40 ASN N A 40 ASN CA A 40 ASN C 1.0 -154.165 -9.873 PHI 67 67 A 40 ASN N A 40 ASN CA A 40 ASN C A 41 LYS N 1.0 89.141 178.513 PSI 68 68 A 40 ASN C A 41 LYS N A 41 LYS CA A 41 LYS C 1.0 -103.759 -66.665 PHI 69 69 A 41 LYS N A 41 LYS CA A 41 LYS C A 42 CYS N 1.0 107.103 150.631 PSI 70 70 A 41 LYS C A 42 CYS N A 42 CYS CA A 42 CYS C 1.0 -151.608 -124.726 PHI 71 71 A 42 CYS N A 42 CYS CA A 42 CYS C A 43 THR N 1.0 159.510 173.152 PSI 72 72 A 42 CYS C A 43 THR N A 43 THR CA A 43 THR C 1.0 -143.780 -125.028 PHI 73 73 A 43 THR N A 43 THR CA A 43 THR C A 44 TYR N 1.0 142.259 166.863 PSI 74 74 A 43 THR C A 44 TYR N A 44 TYR CA A 44 TYR C 1.0 -136.830 -114.036 PHI 75 75 A 44 TYR N A 44 TYR CA A 44 TYR C A 45 ASP N 1.0 116.055 129.195 PSI 76 76 A 44 TYR C A 45 ASP N A 45 ASP CA A 45 ASP C 1.0 -130.034 -96.802 PHI 77 77 A 45 ASP N A 45 ASP CA A 45 ASP C A 46 SER N 1.0 100.627 140.489 PSI 78 78 A 46 SER C A 47 TYR N A 47 TYR CA A 47 TYR C 1.0 -79.790 -54.472 PHI 79 79 A 47 TYR N A 47 TYR CA A 47 TYR C A 48 ASN N 1.0 -40.755 -20.443 PSI 80 80 A 47 TYR C A 48 ASN N A 48 ASN CA A 48 ASN C 1.0 -106.004 -85.174 PHI 81 81 A 48 ASN N A 48 ASN CA A 48 ASN C A 49 ARG N 1.0 0.288 20.300 PSI 82 82 A 48 ASN C A 49 ARG N A 49 ARG CA A 49 ARG C 1.0 51.312 66.096 PHI 83 83 A 49 ARG N A 49 ARG CA A 49 ARG C A 50 LYS N 1.0 24.555 50.101 PSI 84 84 A 49 ARG C A 50 LYS N A 50 LYS CA A 50 LYS C 1.0 -110.328 -86.062 PHI 85 85 A 50 LYS N A 50 LYS CA A 50 LYS C A 51 VAL N 1.0 121.028 140.164 PSI 86 86 A 50 LYS C A 51 VAL N A 51 VAL CA A 51 VAL C 1.0 -120.442 -100.476 PHI 87 87 A 51 VAL N A 51 VAL CA A 51 VAL C A 52 LYS N 1.0 119.842 140.650 PSI 88 88 A 51 VAL C A 52 LYS N A 52 LYS CA A 52 LYS C 1.0 -113.294 -99.980 PHI 89 89 A 52 LYS N A 52 LYS CA A 52 LYS C A 53 CYS N 1.0 117.823 138.771 PSI 90 90 A 52 LYS C A 53 CYS N A 53 CYS CA A 53 CYS C 1.0 -151.823 -117.647 PHI 91 91 A 53 CYS N A 53 CYS CA A 53 CYS C A 54 ASP N 1.0 150.443 178.401 PSI 92 92 A 53 CYS C A 54 ASP N A 54 ASP CA A 54 ASP C 1.0 -130.907 -86.501 PHI 93 93 A 54 ASP N A 54 ASP CA A 54 ASP C A 55 PHE N 1.0 131.632 146.042 PSI 94 94 A 54 ASP C A 55 PHE N A 55 PHE CA A 55 PHE C 1.0 -140.792 -2.888 PHI 95 95 A 55 PHE N A 55 PHE CA A 55 PHE C A 56 ARG N 1.0 99.473 173.815 PSI 96 96 A 55 PHE C A 56 ARG N A 56 ARG CA A 56 ARG C 1.0 -166.478 -33.876 PHI 97 97 A 56 ARG N A 56 ARG CA A 56 ARG C A 57 HIS N 1.0 103.949 148.723 PSI stop_ save_