data_nef_c26046_2nd3 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 26045 PDB 2ND3 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 2 CYS SG 1 17 CYS SG 1 9 CYS SG 1 36 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 GLN start . . 2 A 2 CYS middle -HG . 3 A 3 TYR middle . . 4 A 4 THR middle . . 5 A 5 PHE middle . . 6 A 6 ARG middle . . 7 A 7 SER middle . . 8 A 8 GLU middle . . 9 A 9 CYS middle -HG . 10 A 10 THR middle . . 11 A 11 ASN middle . . 12 A 12 LYS middle . . 13 A 13 GLU middle . . 14 A 14 PHE middle . . 15 A 15 THR middle . . 16 A 16 VAL middle . . 17 A 17 CYS middle -HG . 18 A 18 ARG middle . . 19 A 19 PRO middle . false 20 A 20 ASN middle . . 21 A 21 PRO middle . false 22 A 22 GLU middle . . 23 A 23 GLU middle . . 24 A 24 VAL middle . . 25 A 25 GLU middle . . 26 A 26 LYS middle . . 27 A 27 GLU middle . . 28 A 28 ALA middle . . 29 A 29 ARG middle . . 30 A 30 ARG middle . . 31 A 31 THR middle . . 32 A 32 LYS middle . . 33 A 33 GLU middle . . 34 A 34 GLU middle . . 35 A 35 GLU middle . . 36 A 36 CYS middle -HG . 37 A 37 ARG middle . . 38 A 38 LYS end . . 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 GLN HA H 1 4.127 0.030 A 1 GLN HBy H 1 2.198 0.030 A 1 GLN HBx H 1 2.051 0.030 A 1 GLN HE2x H 1 6.904 0.030 A 1 GLN HE2y H 1 7.533 0.030 A 1 GLN HGx H 1 2.385 0.030 A 1 GLN HGy H 1 2.385 0.030 A 1 GLN C C 13 171.636 0.400 A 1 GLN NE2 N 15 110.725 0.400 A 2 CYS H H 1 8.905 0.030 A 2 CYS HA H 1 5.839 0.030 A 2 CYS HB2 H 1 2.897 0.030 A 2 CYS HB3 H 1 2.717 0.030 A 2 CYS C C 13 173.350 0.400 A 2 CYS CA C 13 55.702 0.400 A 2 CYS CB C 13 41.876 0.400 A 2 CYS N N 15 120.695 0.400 A 3 TYR H H 1 9.183 0.030 A 3 TYR HA H 1 4.926 0.030 A 3 TYR HB2 H 1 2.789 0.030 A 3 TYR HB3 H 1 2.982 0.030 A 3 TYR HD1 H 1 7.059 0.030 A 3 TYR HD2 H 1 7.059 0.030 A 3 TYR HE1 H 1 6.653 0.030 A 3 TYR HE2 H 1 6.653 0.030 A 3 TYR C C 13 173.350 0.400 A 3 TYR CA C 13 56.349 0.400 A 3 TYR CB C 13 42.767 0.400 A 3 TYR CD1 C 13 132.908 0.400 A 3 TYR CD2 C 13 132.908 0.400 A 3 TYR CE1 C 13 118.276 0.400 A 3 TYR CE2 C 13 118.276 0.400 A 3 TYR N N 15 124.591 0.400 A 4 THR H H 1 8.394 0.030 A 4 THR HA H 1 5.373 0.030 A 4 THR HB H 1 3.696 0.030 A 4 THR HG2% H 1 1.010 0.030 A 4 THR C C 13 172.619 0.400 A 4 THR CA C 13 61.350 0.400 A 4 THR CB C 13 70.674 0.400 A 4 THR CG2 C 13 21.464 0.400 A 4 THR N N 15 123.822 0.400 A 5 PHE H H 1 8.702 0.030 A 5 PHE HA H 1 4.743 0.030 A 5 PHE HB2 H 1 2.522 0.030 A 5 PHE HB3 H 1 2.652 0.030 A 5 PHE HD1 H 1 6.745 0.030 A 5 PHE HD2 H 1 6.745 0.030 A 5 PHE HE1 H 1 6.975 0.030 A 5 PHE HE2 H 1 6.975 0.030 A 5 PHE HZ H 1 6.866 0.030 A 5 PHE C C 13 172.002 0.400 A 5 PHE CA C 13 55.525 0.400 A 5 PHE CB C 13 41.633 0.400 A 5 PHE CD1 C 13 132.863 0.400 A 5 PHE CD2 C 13 132.863 0.400 A 5 PHE CE1 C 13 130.365 0.400 A 5 PHE CE2 C 13 130.365 0.400 A 5 PHE CZ C 13 128.912 0.400 A 5 PHE N N 15 123.217 0.400 A 6 ARG H H 1 8.577 0.030 A 6 ARG HA H 1 5.057 0.030 A 6 ARG HBy H 1 1.642 0.030 A 6 ARG HBx H 1 1.633 0.030 A 6 ARG HDx H 1 3.110 0.030 A 6 ARG HDy H 1 3.113 0.030 A 6 ARG HE H 1 7.271 0.030 A 6 ARG HGy H 1 1.404 0.030 A 6 ARG HGx H 1 1.357 0.030 A 6 ARG C C 13 176.799 0.400 A 6 ARG CA C 13 54.054 0.400 A 6 ARG N N 15 118.485 0.400 A 6 ARG NE N 15 84.082 0.400 A 7 SER H H 1 8.861 0.030 A 7 SER HA H 1 4.604 0.030 A 7 SER HBy H 1 4.190 0.030 A 7 SER HBx H 1 4.096 0.030 A 7 SER C C 13 176.434 0.400 A 7 SER CA C 13 57.910 0.400 A 7 SER CB C 13 64.422 0.400 A 7 SER N N 15 117.444 0.400 A 8 GLU H H 1 9.939 0.030 A 8 GLU HA H 1 4.599 0.030 A 8 GLU C C 13 176.776 0.400 A 8 GLU CA C 13 58.350 0.400 A 8 GLU N N 15 129.341 0.400 A 9 CYS H H 1 8.334 0.030 A 9 CYS HA H 1 4.511 0.030 A 9 CYS HBy H 1 3.904 0.030 A 9 CYS HBx H 1 2.758 0.030 A 9 CYS C C 13 175.040 0.400 A 9 CYS CA C 13 58.379 0.400 A 9 CYS N N 15 115.711 0.400 A 10 THR H H 1 7.539 0.030 A 10 THR HA H 1 4.482 0.030 A 10 THR HB H 1 4.196 0.030 A 10 THR HG2% H 1 1.260 0.030 A 10 THR C C 13 175.040 0.400 A 10 THR CA C 13 61.056 0.400 A 10 THR CG2 C 13 22.169 0.400 A 10 THR N N 15 106.635 0.400 A 11 ASN H H 1 8.049 0.030 A 11 ASN HA H 1 4.609 0.030 A 11 ASN HB2 H 1 2.818 0.030 A 11 ASN HB3 H 1 3.125 0.030 A 11 ASN HD2x H 1 6.825 0.030 A 11 ASN HD2y H 1 7.543 0.030 A 11 ASN C C 13 173.669 0.400 A 11 ASN CA C 13 54.525 0.400 A 11 ASN CB C 13 38.237 0.400 A 11 ASN N N 15 117.332 0.400 A 11 ASN ND2 N 15 112.228 0.400 A 12 LYS H H 1 7.450 0.030 A 12 LYS HA H 1 4.205 0.030 A 12 LYS HBy H 1 1.596 0.030 A 12 LYS HBx H 1 1.520 0.030 A 12 LYS HDx H 1 1.297 0.030 A 12 LYS HDy H 1 1.297 0.030 A 12 LYS HGx H 1 1.040 0.030 A 12 LYS HGy H 1 1.040 0.030 A 12 LYS C C 13 174.697 0.400 A 12 LYS CA C 13 56.348 0.400 A 12 LYS N N 15 119.374 0.400 A 13 GLU H H 1 8.289 0.030 A 13 GLU HA H 1 4.852 0.030 A 13 GLU HBy H 1 1.752 0.030 A 13 GLU HBx H 1 1.649 0.030 A 13 GLU HGx H 1 1.946 0.030 A 13 GLU HGy H 1 1.946 0.030 A 13 GLU C C 13 174.743 0.400 A 13 GLU CA C 13 55.113 0.400 A 13 GLU N N 15 123.344 0.400 A 14 PHE H H 1 8.688 0.030 A 14 PHE HA H 1 4.626 0.030 A 14 PHE HBy H 1 2.670 0.030 A 14 PHE HBx H 1 1.922 0.030 A 14 PHE HD1 H 1 6.923 0.030 A 14 PHE HD2 H 1 6.923 0.030 A 14 PHE HE1 H 1 7.024 0.030 A 14 PHE HE2 H 1 7.024 0.030 A 14 PHE HZ H 1 7.079 0.030 A 14 PHE C C 13 173.418 0.400 A 14 PHE CA C 13 56.673 0.400 A 14 PHE CB C 13 42.920 0.400 A 14 PHE CD1 C 13 132.548 0.400 A 14 PHE CD2 C 13 132.548 0.400 A 14 PHE CE1 C 13 130.536 0.400 A 14 PHE CE2 C 13 130.536 0.400 A 14 PHE CZ C 13 129.126 0.400 A 14 PHE N N 15 122.157 0.400 A 15 THR H H 1 8.575 0.030 A 15 THR HA H 1 5.189 0.030 A 15 THR HB H 1 3.826 0.030 A 15 THR HG2% H 1 1.132 0.030 A 15 THR C C 13 174.058 0.400 A 15 THR CA C 13 62.145 0.400 A 15 THR CB C 13 71.370 0.400 A 15 THR CG2 C 13 21.205 0.400 A 15 THR N N 15 116.232 0.400 A 16 VAL H H 1 9.277 0.030 A 16 VAL HA H 1 4.515 0.030 A 16 VAL HB H 1 2.243 0.030 A 16 VAL HGx% H 1 1.154 0.030 A 16 VAL HGy% H 1 1.183 0.030 A 16 VAL C C 13 174.697 0.400 A 16 VAL CA C 13 60.839 0.400 A 16 VAL CB C 13 35.133 0.400 A 16 VAL CG1 C 13 22.236 0.400 A 16 VAL CG2 C 13 22.154 0.400 A 16 VAL N N 15 126.975 0.400 A 17 CYS H H 1 8.987 0.030 A 17 CYS HA H 1 5.925 0.030 A 17 CYS HBx H 1 2.840 0.030 A 17 CYS HBy H 1 3.130 0.030 A 17 CYS C C 13 174.697 0.400 A 17 CYS CA C 13 54.966 0.400 A 17 CYS CB C 13 38.222 0.400 A 17 CYS N N 15 125.613 0.400 A 18 ARG H H 1 8.491 0.030 A 18 ARG HA H 1 4.855 0.030 A 18 ARG HBy H 1 2.005 0.030 A 18 ARG HBx H 1 1.753 0.030 A 18 ARG HDy H 1 3.719 0.030 A 18 ARG HDx H 1 3.333 0.030 A 18 ARG HE H 1 7.629 0.030 A 18 ARG HGy H 1 1.537 0.030 A 18 ARG HGx H 1 1.399 0.030 A 18 ARG CA C 13 52.465 0.400 A 18 ARG N N 15 122.294 0.400 A 18 ARG NE N 15 84.167 0.400 A 19 PRO HA H 1 4.380 0.030 A 19 PRO HDx H 1 3.760 0.030 A 19 PRO HDy H 1 3.760 0.030 A 19 PRO C C 13 175.771 0.400 A 19 PRO CA C 13 64.994 0.400 A 19 PRO CD C 13 50.932 0.400 A 20 ASN H H 1 7.214 0.030 A 20 ASN HA H 1 5.249 0.030 A 20 ASN HB2 H 1 2.892 0.030 A 20 ASN HB3 H 1 2.947 0.030 A 20 ASN HD2y H 1 7.775 0.030 A 20 ASN HD2x H 1 7.114 0.030 A 20 ASN CA C 13 50.377 0.400 A 20 ASN CB C 13 39.516 0.400 A 20 ASN N N 15 112.393 0.400 A 20 ASN ND2 N 15 114.617 0.400 A 21 PRO HA H 1 4.146 0.030 A 21 PRO HDx H 1 3.983 0.030 A 21 PRO HDy H 1 3.983 0.030 A 21 PRO C C 13 178.467 0.400 A 21 PRO CA C 13 65.270 0.400 A 21 PRO CD C 13 51.299 0.400 A 22 GLU H H 1 8.756 0.030 A 22 GLU HA H 1 4.109 0.030 A 22 GLU HBy H 1 2.093 0.030 A 22 GLU HBx H 1 2.015 0.030 A 22 GLU HGx H 1 2.332 0.030 A 22 GLU HGy H 1 2.332 0.030 A 22 GLU C C 13 179.152 0.400 A 22 GLU CA C 13 59.732 0.400 A 22 GLU N N 15 119.049 0.400 A 23 GLU H H 1 7.863 0.030 A 23 GLU HA H 1 4.107 0.030 A 23 GLU HB2 H 1 2.079 0.030 A 23 GLU HB3 H 1 2.030 0.030 A 23 GLU HGy H 1 2.473 0.030 A 23 GLU HGx H 1 2.325 0.030 A 23 GLU C C 13 179.403 0.400 A 23 GLU CA C 13 58.614 0.400 A 23 GLU N N 15 118.774 0.400 A 24 VAL H H 1 7.552 0.030 A 24 VAL HA H 1 3.397 0.030 A 24 VAL HB H 1 2.206 0.030 A 24 VAL HGx% H 1 0.926 0.030 A 24 VAL HGy% H 1 1.066 0.030 A 24 VAL C C 13 176.753 0.400 A 24 VAL CA C 13 66.911 0.400 A 24 VAL CB C 13 31.503 0.400 A 24 VAL CG1 C 13 22.071 0.400 A 24 VAL CG2 C 13 24.693 0.400 A 24 VAL N N 15 119.889 0.400 A 25 GLU H H 1 7.835 0.030 A 25 GLU HA H 1 3.833 0.030 A 25 GLU HBx H 1 2.010 0.030 A 25 GLU HBy H 1 2.014 0.030 A 25 GLU HGy H 1 2.203 0.030 A 25 GLU HGx H 1 2.195 0.030 A 25 GLU C C 13 178.718 0.400 A 25 GLU CA C 13 59.350 0.400 A 25 GLU N N 15 118.433 0.400 A 26 LYS H H 1 7.738 0.030 A 26 LYS HA H 1 3.927 0.030 A 26 LYS HBx H 1 1.893 0.030 A 26 LYS HBy H 1 1.893 0.030 A 26 LYS HDx H 1 1.601 0.030 A 26 LYS HDy H 1 1.601 0.030 A 26 LYS HGx H 1 1.418 0.030 A 26 LYS HGy H 1 1.418 0.030 A 26 LYS C C 13 179.198 0.400 A 26 LYS CA C 13 59.769 0.400 A 26 LYS N N 15 118.551 0.400 A 27 GLU H H 1 7.949 0.030 A 27 GLU HA H 1 4.383 0.030 A 27 GLU HB2 H 1 1.998 0.030 A 27 GLU HB3 H 1 2.122 0.030 A 27 GLU HGy H 1 2.378 0.030 A 27 GLU HGx H 1 2.214 0.030 A 27 GLU C C 13 179.198 0.400 A 27 GLU CA C 13 58.026 0.400 A 27 GLU N N 15 119.788 0.400 A 28 ALA H H 1 9.002 0.030 A 28 ALA HA H 1 3.881 0.030 A 28 ALA HB% H 1 0.982 0.030 A 28 ALA C C 13 178.490 0.400 A 28 ALA CA C 13 55.555 0.400 A 28 ALA CB C 13 17.548 0.400 A 28 ALA N N 15 125.019 0.400 A 29 ARG H H 1 8.058 0.030 A 29 ARG HA H 1 3.831 0.030 A 29 ARG HBx H 1 1.865 0.030 A 29 ARG HBy H 1 1.865 0.030 A 29 ARG HDx H 1 3.168 0.030 A 29 ARG HDy H 1 3.168 0.030 A 29 ARG HE H 1 7.771 0.030 A 29 ARG HGy H 1 1.715 0.030 A 29 ARG HGx H 1 1.540 0.030 A 29 ARG C C 13 178.170 0.400 A 29 ARG CA C 13 59.732 0.400 A 29 ARG N N 15 117.640 0.400 A 29 ARG NE N 15 83.127 0.400 A 30 ARG H H 1 7.754 0.030 A 30 ARG HA H 1 4.037 0.030 A 30 ARG HBx H 1 1.920 0.030 A 30 ARG HBy H 1 1.920 0.030 A 30 ARG HDy H 1 3.288 0.030 A 30 ARG HDx H 1 3.111 0.030 A 30 ARG HE H 1 7.497 0.030 A 30 ARG HGy H 1 1.722 0.030 A 30 ARG HGx H 1 1.571 0.030 A 30 ARG C C 13 178.512 0.400 A 30 ARG CA C 13 59.379 0.400 A 30 ARG N N 15 119.415 0.400 A 30 ARG NE N 15 84.751 0.400 A 31 THR H H 1 8.150 0.030 A 31 THR HA H 1 3.715 0.030 A 31 THR HB H 1 4.071 0.030 A 31 THR HG2% H 1 0.385 0.030 A 31 THR C C 13 175.771 0.400 A 31 THR CA C 13 66.911 0.400 A 31 THR CG2 C 13 19.921 0.400 A 31 THR N N 15 116.437 0.400 A 32 LYS H H 1 8.268 0.030 A 32 LYS HA H 1 3.967 0.030 A 32 LYS HBy H 1 1.942 0.030 A 32 LYS HBx H 1 1.846 0.030 A 32 LYS HDx H 1 1.645 0.030 A 32 LYS HDy H 1 1.645 0.030 A 32 LYS HGx H 1 1.362 0.030 A 32 LYS HGy H 1 1.362 0.030 A 32 LYS C C 13 179.472 0.400 A 32 LYS CA C 13 60.056 0.400 A 32 LYS N N 15 120.727 0.400 A 33 GLU H H 1 8.035 0.030 A 33 GLU HA H 1 3.956 0.030 A 33 GLU HB2 H 1 2.127 0.030 A 33 GLU HB3 H 1 2.023 0.030 A 33 GLU HGy H 1 2.449 0.030 A 33 GLU HGx H 1 2.224 0.030 A 33 GLU C C 13 179.152 0.400 A 33 GLU CA C 13 59.026 0.400 A 33 GLU N N 15 118.561 0.400 A 34 GLU H H 1 8.138 0.030 A 34 GLU HA H 1 3.981 0.030 A 34 GLU HBx H 1 2.145 0.030 A 34 GLU HBy H 1 2.145 0.030 A 34 GLU HGx H 1 2.316 0.030 A 34 GLU HGy H 1 2.424 0.030 A 34 GLU C C 13 179.472 0.400 A 34 GLU CA C 13 59.085 0.400 A 34 GLU N N 15 119.642 0.400 A 35 GLU H H 1 8.189 0.030 A 35 GLU HA H 1 4.106 0.030 A 35 GLU HBy H 1 2.128 0.030 A 35 GLU HBx H 1 2.125 0.030 A 35 GLU HGy H 1 2.425 0.030 A 35 GLU HGx H 1 2.325 0.030 A 35 GLU C C 13 177.439 0.400 A 35 GLU CA C 13 58.232 0.400 A 35 GLU N N 15 118.051 0.400 A 36 CYS H H 1 7.453 0.030 A 36 CYS HA H 1 4.634 0.030 A 36 CYS HBy H 1 3.390 0.030 A 36 CYS HBx H 1 2.990 0.030 A 36 CYS C C 13 174.332 0.400 A 36 CYS CA C 13 55.849 0.400 A 36 CYS N N 15 113.376 0.400 A 37 ARG H H 1 7.596 0.030 A 37 ARG HA H 1 4.343 0.030 A 37 ARG HBy H 1 1.939 0.030 A 37 ARG HBx H 1 1.863 0.030 A 37 ARG HDx H 1 3.206 0.030 A 37 ARG HDy H 1 3.206 0.030 A 37 ARG HE H 1 7.347 0.030 A 37 ARG HGy H 1 1.756 0.030 A 37 ARG HGx H 1 1.681 0.030 A 37 ARG C C 13 175.422 0.400 A 37 ARG CA C 13 56.849 0.400 A 37 ARG N N 15 121.321 0.400 A 37 ARG NE N 15 84.840 0.400 A 38 LYS H H 1 7.661 0.030 A 38 LYS HA H 1 4.134 0.030 A 38 LYS HBy H 1 1.855 0.030 A 38 LYS HBx H 1 1.748 0.030 A 38 LYS HDx H 1 1.494 0.030 A 38 LYS HDy H 1 1.494 0.030 A 38 LYS HEx H 1 7.344 0.030 A 38 LYS HEy H 1 7.344 0.030 A 38 LYS HGx H 1 1.416 0.030 A 38 LYS HGy H 1 1.416 0.030 A 38 LYS CA C 13 58.022 0.400 A 38 LYS N N 15 127.347 0.400 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 CYS H A 1 GLN HGx 1.0 0.0 5.17 2 1 A 1 GLN HGy A 2 CYS H 1.0 0.0 5.17 3 2 A 2 CYS H A 1 GLN HBy 1.0 0.0 5.53 4 3 A 2 CYS H A 1 GLN HBx 1.0 0.0 5.53 5 4 A 3 TYR H A 17 CYS H 1.0 0.0 5.43 6 5 A 3 TYR H A 16 VAL HB 1.0 0.0 5.66 7 6 A 3 TYR HB3 A 4 THR H 1.0 0.0 5.31 8 7 A 5 PHE H A 6 ARG H 1.0 0.0 4.79 9 8 A 4 THR H A 5 PHE H 1.0 0.0 5.78 10 9 A 5 PHE H A 15 THR HG2% 1.0 0.0 5.78 11 10 A 5 PHE H A 16 VAL HGx% 1.0 0.0 5.78 12 11 A 6 ARG H A 14 PHE H 1.0 0.0 5.78 13 12 A 6 ARG H A 6 ARG HDx 1.0 0.0 5.78 14 13 A 6 ARG H A 6 ARG HDy 1.0 0.0 5.78 15 14 A 6 ARG H A 5 PHE HB3 1.0 0.0 4.50 16 15 A 6 ARG H A 5 PHE HB2 1.0 0.0 4.24 17 16 A 6 ARG H A 6 ARG HGy 1.0 0.0 5.78 18 17 A 6 ARG H A 6 ARG HGx 1.0 0.0 5.78 19 18 A 8 GLU H A 9 CYS H 1.0 0.0 5.11 20 19 A 9 CYS H A 10 THR H 1.0 0.0 4.60 21 20 A 29 ARG H A 32 LYS H 1.0 0.0 5.78 22 21 A 29 ARG H A 31 THR H 1.0 0.0 4.95 23 22 A 10 THR H A 11 ASN H 1.0 0.0 4.07 24 23 A 29 ARG H A 30 ARG HA 1.0 0.0 5.78 25 24 A 29 ARG H A 31 THR HB 1.0 0.0 5.78 26 25 A 29 ARG H A 29 ARG HBx 1.0 0.0 3.45 27 25 A 29 ARG H A 29 ARG HBy 1.0 0.0 3.45 28 26 A 29 ARG H A 29 ARG HGx 1.0 0.0 5.07 29 27 A 12 LYS H A 13 GLU H 1.0 0.0 5.50 30 28 A 12 LYS H A 10 THR HA 1.0 0.0 5.24 31 29 A 12 LYS H A 11 ASN HB3 1.0 0.0 5.78 32 30 A 12 LYS H A 11 ASN HB2 1.0 0.0 5.76 33 31 A 12 LYS H A 12 LYS HBy 1.0 0.0 4.35 34 32 A 12 LYS H A 10 THR HG2% 1.0 0.0 5.01 35 33 A 12 LYS H A 12 LYS HGx 1.0 0.0 5.38 36 33 A 12 LYS H A 12 LYS HGy 1.0 0.0 5.38 37 34 A 13 GLU H A 13 GLU HBx 1.0 0.0 4.13 38 35 A 15 THR H A 15 THR HB 1.0 0.0 4.05 39 36 A 15 THR H A 14 PHE HBy 1.0 0.0 4.83 40 37 A 15 THR H A 14 PHE HBx 1.0 0.0 4.83 41 38 A 17 CYS H A 16 VAL HB 1.0 0.0 5.58 42 39 A 17 CYS H A 16 VAL HGx% 1.0 0.0 4.36 43 40 A 18 ARG H A 18 ARG HGx 1.0 0.0 5.78 44 41 A 18 ARG H A 24 VAL HGx% 1.0 0.0 5.69 45 42 A 18 ARG HE A 23 GLU HB2 1.0 0.0 5.70 46 43 A 20 ASN HD2y A 22 GLU HBx 1.0 0.0 5.78 47 44 A 20 ASN H A 21 PRO HDx 1.0 0.0 5.78 48 44 A 20 ASN H A 21 PRO HDy 1.0 0.0 5.78 49 45 A 23 GLU H A 21 PRO HDx 1.0 0.0 5.76 50 45 A 21 PRO HDy A 23 GLU H 1.0 0.0 5.76 51 46 A 23 GLU H A 22 GLU HGx 1.0 0.0 5.20 52 46 A 23 GLU H A 22 GLU HGy 1.0 0.0 5.20 53 47 A 23 GLU H A 26 LYS HBx 1.0 0.0 5.55 54 47 A 23 GLU H A 26 LYS HBy 1.0 0.0 5.55 55 48 A 24 VAL H A 18 ARG HBx 1.0 0.0 5.21 56 49 A 24 VAL H A 18 ARG HGy 1.0 0.0 5.78 57 50 A 24 VAL H A 18 ARG HGx 1.0 0.0 5.78 58 51 A 25 GLU H A 27 GLU H 1.0 0.0 4.88 59 52 A 24 VAL H A 26 LYS H 1.0 0.0 4.70 60 53 A 26 LYS H A 22 GLU HA 1.0 0.0 5.16 61 54 A 26 LYS H A 26 LYS HGx 1.0 0.0 5.17 62 54 A 26 LYS H A 26 LYS HGy 1.0 0.0 5.17 63 55 A 31 THR H A 27 GLU H 1.0 0.0 5.78 64 56 A 29 ARG H A 27 GLU H 1.0 0.0 4.86 65 57 A 27 GLU H A 27 GLU HB3 1.0 0.0 3.77 66 58 A 27 GLU H A 26 LYS HDx 1.0 0.0 5.76 67 58 A 27 GLU H A 26 LYS HDy 1.0 0.0 5.76 68 59 A 27 GLU H A 26 LYS HGx 1.0 0.0 5.59 69 59 A 27 GLU H A 26 LYS HGy 1.0 0.0 5.59 70 60 A 24 VAL HGx% A 27 GLU H 1.0 0.0 5.78 71 61 A 29 ARG HE A 30 ARG HBx 1.0 0.0 5.46 72 61 A 29 ARG HE A 30 ARG HBy 1.0 0.0 5.46 73 62 A 30 ARG H A 30 ARG HE 1.0 0.0 5.32 74 63 A 30 ARG H A 29 ARG HDx 1.0 0.0 5.78 75 63 A 30 ARG H A 29 ARG HDy 1.0 0.0 5.78 76 64 A 30 ARG H A 30 ARG HBx 1.0 0.0 3.32 77 64 A 30 ARG HBy A 30 ARG H 1.0 0.0 3.32 78 65 A 30 ARG H A 29 ARG HGy 1.0 0.0 5.03 79 66 A 30 ARG H A 30 ARG HGy 1.0 0.0 5.42 80 67 A 30 ARG H A 29 ARG HGx 1.0 0.0 5.03 81 68 A 30 ARG H A 30 ARG HGx 1.0 0.0 5.42 82 69 A 30 ARG HE A 29 ARG HBx 1.0 0.0 5.16 83 69 A 29 ARG HBy A 30 ARG HE 1.0 0.0 5.16 84 70 A 31 THR H A 32 LYS HA 1.0 0.0 5.70 85 71 A 31 THR H A 27 GLU HB3 1.0 0.0 5.78 86 72 A 31 THR H A 34 GLU HBx 1.0 0.0 5.78 87 72 A 31 THR H A 34 GLU HBy 1.0 0.0 5.78 88 73 A 31 THR H A 30 ARG HGx 1.0 0.0 5.78 89 74 A 32 LYS H A 32 LYS HDx 1.0 0.0 4.36 90 74 A 32 LYS H A 32 LYS HDy 1.0 0.0 4.36 91 75 A 30 ARG H A 33 GLU H 1.0 0.0 5.78 92 76 A 33 GLU H A 29 ARG HA 1.0 0.0 5.57 93 77 A 33 GLU H A 31 THR HA 1.0 0.0 5.78 94 78 A 33 GLU H A 32 LYS HBx 1.0 0.0 4.45 95 79 A 33 GLU H A 32 LYS HDx 1.0 0.0 5.63 96 79 A 32 LYS HDy A 33 GLU H 1.0 0.0 5.63 97 80 A 33 GLU H A 32 LYS HGx 1.0 0.0 5.78 98 80 A 33 GLU H A 32 LYS HGy 1.0 0.0 5.78 99 81 A 31 THR HA A 34 GLU H 1.0 0.0 5.03 100 82 A 34 GLU H A 33 GLU HGy 1.0 0.0 5.45 101 83 A 34 GLU H A 31 THR HG2% 1.0 0.0 5.78 102 84 A 33 GLU H A 35 GLU H 1.0 0.0 5.19 103 85 A 31 THR HA A 35 GLU H 1.0 0.0 5.78 104 86 A 35 GLU H A 34 GLU HBx 1.0 0.0 4.22 105 86 A 34 GLU HBy A 35 GLU H 1.0 0.0 4.22 106 87 A 36 CYS H A 37 ARG H 1.0 0.0 4.13 107 88 A 37 ARG H A 35 GLU HA 1.0 0.0 5.78 108 89 A 37 ARG H A 38 LYS HA 1.0 0.0 5.78 109 90 A 37 ARG H A 37 ARG HGy 1.0 0.0 5.16 110 91 A 37 ARG H A 37 ARG HE 1.0 0.0 5.78 111 92 A 8 GLU H A 7 SER H 1.0 0.0 5.78 112 93 A 7 SER H A 5 PHE HD% 1.0 0.0 5.78 113 94 A 11 ASN H A 7 SER H 1.0 0.0 5.78 114 95 A 3 TYR H A 24 VAL HGx% 1.0 0.0 4.91 115 96 A 24 VAL HGx% A 16 VAL H 1.0 0.0 5.78 116 97 A 28 ALA H A 28 ALA HB% 1.0 0.0 3.57 117 98 A 16 VAL HGx% A 28 ALA H 1.0 0.0 5.10 118 99 A 17 CYS H A 24 VAL HGy% 1.0 0.0 5.23 119 100 A 24 VAL HGx% A 28 ALA H 1.0 0.0 5.32 120 101 A 16 VAL HB A 16 VAL H 1.0 0.0 4.21 121 102 A 27 GLU HB3 A 28 ALA H 1.0 0.0 4.82 122 103 A 28 ALA H A 27 GLU HB2 1.0 0.0 4.54 123 104 A 28 ALA H A 26 LYS HBx 1.0 0.0 5.78 124 104 A 26 LYS HBy A 28 ALA H 1.0 0.0 5.78 125 105 A 28 ALA H A 29 ARG HBx 1.0 0.0 5.78 126 105 A 29 ARG HBy A 28 ALA H 1.0 0.0 5.78 127 106 A 28 ALA H A 30 ARG HBx 1.0 0.0 5.78 128 106 A 30 ARG HBy A 28 ALA H 1.0 0.0 5.78 129 107 A 22 GLU H A 22 GLU HGx 1.0 0.0 4.24 130 107 A 22 GLU HGy A 22 GLU H 1.0 0.0 4.24 131 108 A 22 GLU H A 22 GLU HBy 1.0 0.0 3.68 132 109 A 22 GLU H A 22 GLU HBx 1.0 0.0 3.68 133 110 A 7 SER H A 32 LYS HDx 1.0 0.0 5.50 134 110 A 32 LYS HDy A 7 SER H 1.0 0.0 5.50 135 111 A 7 SER H A 6 ARG HGy 1.0 0.0 5.37 136 112 A 7 SER H A 6 ARG HGx 1.0 0.0 5.37 137 113 A 14 PHE H A 13 GLU HBx 1.0 0.0 5.08 138 114 A 14 PHE H A 13 GLU HBy 1.0 0.0 5.08 139 115 A 5 PHE H A 4 THR HG2% 1.0 0.0 4.01 140 116 A 6 ARG H A 4 THR HG2% 1.0 0.0 5.78 141 117 A 15 THR H A 4 THR HG2% 1.0 0.0 5.78 142 118 A 18 ARG H A 24 VAL HGy% 1.0 0.0 3.81 143 119 A 16 VAL HGx% A 18 ARG H 1.0 0.0 5.11 144 120 A 18 ARG H A 18 ARG HGy 1.0 0.0 5.78 145 121 A 16 VAL H A 4 THR HA 1.0 0.0 5.08 146 122 A 3 TYR H A 15 THR HA 1.0 0.0 5.60 147 123 A 3 TYR H A 3 TYR HB3 1.0 0.0 4.37 148 124 A 3 TYR H A 2 CYS HB2 1.0 0.0 4.98 149 125 A 3 TYR H A 3 TYR HB2 1.0 0.0 4.30 150 126 A 3 TYR H A 2 CYS HB3 1.0 0.0 4.49 151 127 A 28 ALA H A 24 VAL HA 1.0 0.0 5.58 152 128 A 17 CYS H A 16 VAL HA 1.0 0.0 3.50 153 129 A 7 SER H A 7 SER HBx 1.0 0.0 4.20 154 130 A 7 SER H A 7 SER HBy 1.0 0.0 4.20 155 131 A 7 SER H A 13 GLU HA 1.0 0.0 4.78 156 132 A 7 SER H A 6 ARG HA 1.0 0.0 3.42 157 133 A 22 GLU H A 21 PRO HDx 1.0 0.0 4.02 158 133 A 21 PRO HDy A 22 GLU H 1.0 0.0 4.02 159 134 A 5 PHE H A 4 THR HB 1.0 0.0 5.16 160 135 A 5 PHE H A 4 THR HA 1.0 0.0 3.34 161 136 A 5 PHE H A 15 THR HA 1.0 0.0 4.73 162 137 A 22 GLU H A 20 ASN HA 1.0 0.0 5.40 163 138 A 14 PHE H A 6 ARG HA 1.0 0.0 4.66 164 139 A 14 PHE H A 13 GLU HA 1.0 0.0 3.49 165 140 A 6 ARG H A 13 GLU HA 1.0 0.0 5.54 166 141 A 6 ARG H A 5 PHE HA 1.0 0.0 3.66 167 142 A 15 THR H A 14 PHE HA 1.0 0.0 3.58 168 143 A 18 ARG H A 19 PRO HDx 1.0 0.0 5.20 169 143 A 18 ARG H A 19 PRO HDy 1.0 0.0 5.20 170 144 A 18 ARG H A 17 CYS HBx 1.0 0.0 5.29 171 145 A 22 GLU H A 20 ASN HB2 1.0 0.0 4.92 172 146 A 22 GLU H A 20 ASN HB3 1.0 0.0 5.00 173 147 A 3 TYR H A 3 TYR HD% 1.0 0.0 5.01 174 148 A 3 TYR H A 17 CYS HA 1.0 0.0 4.61 175 149 A 3 TYR H A 2 CYS HA 1.0 0.0 3.50 176 150 A 12 LYS H A 7 SER H 1.0 0.0 4.99 177 151 A 26 LYS H A 28 ALA H 1.0 0.0 5.70 178 152 A 30 ARG H A 28 ALA H 1.0 0.0 5.78 179 153 A 23 GLU H A 22 GLU H 1.0 0.0 3.73 180 154 A 24 VAL H A 22 GLU H 1.0 0.0 5.27 181 155 A 18 ARG H A 17 CYS HA 1.0 0.0 3.34 182 156 A 18 ARG H A 2 CYS HA 1.0 0.0 4.95 183 157 A 35 GLU H A 36 CYS H 1.0 0.0 4.14 184 158 A 9 CYS H A 11 ASN H 1.0 0.0 5.23 185 159 A 3 TYR H A 16 VAL H 1.0 0.0 4.59 186 160 A 11 ASN H A 12 LYS H 1.0 0.0 4.25 187 161 A 27 GLU H A 26 LYS H 1.0 0.0 3.81 188 162 A 23 GLU H A 24 VAL H 1.0 0.0 3.76 189 163 A 24 VAL H A 25 GLU H 1.0 0.0 4.00 190 164 A 4 THR H A 3 TYR HD% 1.0 0.0 4.49 191 165 A 16 VAL H A 5 PHE HE% 1.0 0.0 5.38 192 166 A 7 SER H A 14 PHE HE% 1.0 0.0 5.15 193 167 A 5 PHE H A 3 TYR HD% 1.0 0.0 5.78 194 168 A 5 PHE H A 5 PHE HE% 1.0 0.0 5.66 195 169 A 14 PHE H A 14 PHE HD% 1.0 0.0 4.06 196 170 A 15 THR H A 14 PHE HD% 1.0 0.0 4.76 197 171 A 7 SER H A 14 PHE HD% 1.0 0.0 4.79 198 172 A 5 PHE H A 5 PHE HD% 1.0 0.0 4.17 199 173 A 6 ARG H A 5 PHE HD% 1.0 0.0 4.57 200 174 A 5 PHE HD% A 16 VAL H 1.0 0.0 5.54 201 175 A 33 GLU H A 34 GLU H 1.0 0.0 3.65 202 176 A 32 LYS H A 33 GLU H 1.0 0.0 3.85 203 177 A 31 THR H A 30 ARG H 1.0 0.0 3.76 204 178 A 29 ARG H A 30 ARG H 1.0 0.0 3.76 205 179 A 25 GLU H A 26 LYS H 1.0 0.0 3.74 206 180 A 32 LYS H A 31 THR H 1.0 0.0 3.83 207 181 A 14 PHE HD% A 14 PHE HZ 1.0 0.0 4.16 208 182 A 16 VAL H A 15 THR HA 1.0 0.0 3.49 209 183 A 17 CYS HA A 2 CYS HA 1.0 0.0 3.74 210 184 A 4 THR HA A 15 THR HA 1.0 0.0 3.77 211 185 A 20 ASN HA A 21 PRO HDx 1.0 0.0 3.11 212 185 A 21 PRO HDy A 20 ASN HA 1.0 0.0 3.11 213 186 A 15 THR HG2% A 2 CYS HA 1.0 0.0 5.78 214 187 A 5 PHE HD% A 4 THR HA 1.0 0.0 4.65 215 188 A 5 PHE HD% A 15 THR HA 1.0 0.0 5.78 216 189 A 5 PHE HD% A 6 ARG HA 1.0 0.0 5.59 217 190 A 5 PHE HD% A 5 PHE HA 1.0 0.0 4.43 218 191 A 5 PHE HD% A 14 PHE HA 1.0 0.0 5.78 219 192 A 5 PHE HD% A 28 ALA HA 1.0 0.0 5.38 220 193 A 28 ALA HA A 5 PHE HZ 1.0 0.0 4.40 221 194 A 31 THR HB A 5 PHE HZ 1.0 0.0 4.33 222 195 A 6 ARG HA A 14 PHE HD% 1.0 0.0 4.94 223 196 A 13 GLU HA A 14 PHE HD% 1.0 0.0 4.70 224 197 A 14 PHE HA A 14 PHE HD% 1.0 0.0 4.09 225 198 A 5 PHE HE% A 28 ALA HA 1.0 0.0 4.32 226 199 A 32 LYS HA A 5 PHE HE% 1.0 0.0 4.94 227 200 A 31 THR HB A 5 PHE HE% 1.0 0.0 4.38 228 201 A 14 PHE HA A 5 PHE HE% 1.0 0.0 5.48 229 202 A 3 TYR HD% A 3 TYR HA 1.0 0.0 4.06 230 203 A 36 CYS H A 33 GLU HA 1.0 0.0 5.21 231 204 A 20 ASN H A 19 PRO HDx 1.0 0.0 4.70 232 204 A 20 ASN H A 19 PRO HDy 1.0 0.0 4.70 233 205 A 3 TYR HD% A 28 ALA HA 1.0 0.0 4.84 234 206 A 35 GLU HA A 14 PHE HZ 1.0 0.0 5.78 235 207 A 14 PHE HE% A 7 SER HBx 1.0 0.0 4.88 236 208 A 14 PHE HE% A 7 SER HBy 1.0 0.0 4.88 237 209 A 14 PHE HE% A 10 THR HB 1.0 0.0 5.59 238 210 A 14 PHE HA A 14 PHE HE% 1.0 0.0 4.70 239 211 A 29 ARG H A 27 GLU HA 1.0 0.0 5.33 240 212 A 11 ASN H A 10 THR HB 1.0 0.0 5.43 241 213 A 31 THR HB A 33 GLU H 1.0 0.0 5.78 242 214 A 30 ARG HA A 33 GLU H 1.0 0.0 4.78 243 215 A 27 GLU H A 23 GLU HA 1.0 0.0 5.00 244 216 A 30 ARG H A 27 GLU HA 1.0 0.0 4.40 245 217 A 26 LYS H A 23 GLU HA 1.0 0.0 4.14 246 218 A 37 ARG HA A 38 LYS H 1.0 0.0 3.70 247 219 A 37 ARG H A 34 GLU HA 1.0 0.0 5.11 248 220 A 24 VAL H A 21 PRO HA 1.0 0.0 4.43 249 221 A 10 THR H A 8 GLU HA 1.0 0.0 5.05 250 222 A 10 THR H A 11 ASN HA 1.0 0.0 5.78 251 223 A 4 THR H A 3 TYR HA 1.0 0.0 3.52 252 224 A 4 THR H A 5 PHE HA 1.0 0.0 5.78 253 225 A 32 LYS H A 29 ARG HA 1.0 0.0 4.70 254 226 A 32 LYS H A 28 ALA HA 1.0 0.0 5.29 255 227 A 32 LYS H A 31 THR HB 1.0 0.0 3.89 256 228 A 13 GLU H A 12 LYS HA 1.0 0.0 3.16 257 229 A 31 THR H A 27 GLU HA 1.0 0.0 5.22 258 230 A 31 THR H A 31 THR HB 1.0 0.0 3.59 259 231 A 31 THR H A 28 ALA HA 1.0 0.0 4.66 260 232 A 32 LYS HA A 35 GLU H 1.0 0.0 4.85 261 233 A 35 GLU H A 33 GLU HA 1.0 0.0 5.78 262 234 A 27 GLU H A 25 GLU HA 1.0 0.0 5.63 263 235 A 34 GLU H A 33 GLU HGx 1.0 0.0 5.45 264 236 A 34 GLU H A 33 GLU HB2 1.0 0.0 3.85 265 237 A 34 GLU H A 34 GLU HBx 1.0 0.0 3.97 266 237 A 34 GLU HBy A 34 GLU H 1.0 0.0 3.97 267 238 A 34 GLU H A 33 GLU HB3 1.0 0.0 4.32 268 239 A 31 THR H A 30 ARG HBx 1.0 0.0 3.74 269 239 A 31 THR H A 30 ARG HBy 1.0 0.0 3.74 270 240 A 35 GLU H A 35 GLU HGx 1.0 0.0 4.12 271 241 A 35 GLU H A 35 GLU HGy 1.0 0.0 4.12 272 242 A 33 GLU H A 33 GLU HGy 1.0 0.0 4.57 273 243 A 11 ASN H A 10 THR HG2% 1.0 0.0 5.32 274 244 A 29 ARG H A 29 ARG HGy 1.0 0.0 5.07 275 245 A 33 GLU H A 32 LYS HBy 1.0 0.0 4.45 276 246 A 33 GLU H A 33 GLU HB3 1.0 0.0 3.97 277 247 A 33 GLU H A 33 GLU HB2 1.0 0.0 3.66 278 248 A 33 GLU H A 33 GLU HGx 1.0 0.0 4.57 279 249 A 13 GLU H A 12 LYS HDx 1.0 0.0 4.97 280 249 A 13 GLU H A 12 LYS HDy 1.0 0.0 4.97 281 250 A 4 THR H A 3 TYR HB2 1.0 0.0 5.24 282 251 A 9 CYS H A 10 THR HG2% 1.0 0.0 5.78 283 252 A 32 LYS H A 32 LYS HGx 1.0 0.0 4.66 284 252 A 32 LYS H A 32 LYS HGy 1.0 0.0 4.66 285 253 A 13 GLU H A 13 GLU HGx 1.0 0.0 4.41 286 253 A 13 GLU H A 13 GLU HGy 1.0 0.0 4.41 287 254 A 13 GLU H A 13 GLU HBy 1.0 0.0 4.13 288 255 A 13 GLU H A 12 LYS HGx 1.0 0.0 5.34 289 255 A 13 GLU H A 12 LYS HGy 1.0 0.0 5.34 290 256 A 32 LYS H A 31 THR HG2% 1.0 0.0 4.84 291 257 A 31 THR H A 31 THR HG2% 1.0 0.0 4.86 292 258 A 31 THR HG2% A 35 GLU H 1.0 0.0 5.34 293 259 A 31 THR H A 30 ARG HGy 1.0 0.0 5.78 294 260 A 29 ARG H A 28 ALA HB% 1.0 0.0 3.81 295 261 A 27 GLU H A 28 ALA HB% 1.0 0.0 5.18 296 262 A 16 VAL HGx% A 27 GLU H 1.0 0.0 5.78 297 263 A 4 THR H A 4 THR HG2% 1.0 0.0 4.91 298 264 A 31 THR HG2% A 14 PHE HZ 1.0 0.0 4.87 299 265 A 14 PHE HZ A 12 LYS HBx 1.0 0.0 5.32 300 266 A 14 PHE HZ A 12 LYS HBy 1.0 0.0 5.32 301 267 A 14 PHE HE% A 32 LYS HDx 1.0 0.0 4.39 302 267 A 32 LYS HDy A 14 PHE HE% 1.0 0.0 4.39 303 268 A 16 VAL HGx% A 3 TYR HD% 1.0 0.0 4.38 304 269 A 24 VAL HGy% A 3 TYR HD% 1.0 0.0 4.90 305 270 A 28 ALA HB% A 3 TYR HD% 1.0 0.0 4.14 306 271 A 24 VAL HGx% A 3 TYR HD% 1.0 0.0 4.11 307 272 A 31 THR HG2% A 14 PHE HE% 1.0 0.0 4.32 308 273 A 31 THR HG2% A 5 PHE HE% 1.0 0.0 4.15 309 274 A 31 THR HG2% A 14 PHE HD% 1.0 0.0 4.05 310 275 A 31 THR HG2% A 5 PHE HZ 1.0 0.0 4.19 311 276 A 24 VAL HGx% A 5 PHE HZ 1.0 0.0 4.90 312 277 A 28 ALA HB% A 5 PHE HZ 1.0 0.0 4.89 313 278 A 5 PHE HD% A 28 ALA HB% 1.0 0.0 4.58 314 279 A 28 ALA HB% A 3 TYR HE% 1.0 0.0 4.22 315 280 A 24 VAL HGx% A 3 TYR HE% 1.0 0.0 5.47 316 281 A 24 VAL HGy% A 3 TYR HE% 1.0 0.0 5.78 317 282 A 16 VAL HGx% A 5 PHE HD% 1.0 0.0 4.62 318 283 A 5 PHE HD% A 32 LYS HGx 1.0 0.0 5.32 319 283 A 32 LYS HGy A 5 PHE HD% 1.0 0.0 5.32 320 284 A 5 PHE HD% A 32 LYS HDx 1.0 0.0 5.25 321 284 A 32 LYS HDy A 5 PHE HD% 1.0 0.0 5.25 322 285 A 16 VAL HGx% A 5 PHE HZ 1.0 0.0 4.46 323 286 A 16 VAL HGx% A 5 PHE HE% 1.0 0.0 3.75 324 287 A 28 ALA HB% A 5 PHE HE% 1.0 0.0 4.29 325 288 A 24 VAL HGx% A 5 PHE HE% 1.0 0.0 4.36 326 289 A 5 PHE HE% A 32 LYS HDx 1.0 0.0 4.78 327 289 A 32 LYS HDy A 5 PHE HE% 1.0 0.0 4.78 328 290 A 5 PHE HE% A 32 LYS HGx 1.0 0.0 4.98 329 290 A 32 LYS HGy A 5 PHE HE% 1.0 0.0 4.98 330 291 A 14 PHE HD% A 32 LYS HDx 1.0 0.0 5.06 331 291 A 32 LYS HDy A 14 PHE HD% 1.0 0.0 5.06 332 292 A 24 VAL HGx% A 25 GLU H 1.0 0.0 4.43 333 293 A 24 VAL H A 24 VAL HGy% 1.0 0.0 3.60 334 294 A 24 VAL HGx% A 24 VAL H 1.0 0.0 4.63 335 295 A 12 LYS H A 12 LYS HBx 1.0 0.0 4.35 336 296 A 12 LYS H A 12 LYS HDx 1.0 0.0 5.13 337 296 A 12 LYS H A 12 LYS HDy 1.0 0.0 5.13 338 297 A 6 ARG HE A 6 ARG HBy 1.0 0.0 5.48 339 298 A 6 ARG HE A 6 ARG HBx 1.0 0.0 5.48 340 299 A 20 ASN H A 24 VAL HGy% 1.0 0.0 5.41 341 300 A 37 ARG H A 37 ARG HGx 1.0 0.0 5.16 342 301 A 38 LYS H A 38 LYS HGx 1.0 0.0 5.78 343 301 A 38 LYS H A 38 LYS HGy 1.0 0.0 5.78 344 302 A 38 LYS H A 38 LYS HDx 1.0 0.0 4.96 345 302 A 38 LYS H A 38 LYS HDy 1.0 0.0 4.96 346 303 A 26 LYS H A 26 LYS HDx 1.0 0.0 4.39 347 303 A 26 LYS H A 26 LYS HDy 1.0 0.0 4.39 348 304 A 26 LYS H A 26 LYS HBx 1.0 0.0 3.53 349 304 A 26 LYS HBy A 26 LYS H 1.0 0.0 3.53 350 305 A 37 ARG H A 37 ARG HBx 1.0 0.0 4.40 351 306 A 37 ARG H A 37 ARG HBy 1.0 0.0 4.40 352 307 A 24 VAL H A 18 ARG HBy 1.0 0.0 5.21 353 308 A 23 GLU HB2 A 24 VAL H 1.0 0.0 4.19 354 309 A 20 ASN HD2y A 22 GLU HBy 1.0 0.0 5.78 355 310 A 23 GLU HB2 A 20 ASN HD2y 1.0 0.0 5.78 356 311 A 30 ARG H A 33 GLU HB2 1.0 0.0 5.78 357 312 A 27 GLU H A 26 LYS HBx 1.0 0.0 3.79 358 312 A 26 LYS HBy A 27 GLU H 1.0 0.0 3.79 359 313 A 27 GLU H A 27 GLU HB2 1.0 0.0 3.75 360 314 A 27 GLU H A 27 GLU HGx 1.0 0.0 4.57 361 315 A 27 GLU H A 27 GLU HGy 1.0 0.0 4.57 362 316 A 23 GLU HB2 A 23 GLU H 1.0 0.0 3.65 363 317 A 25 GLU H A 24 VAL HB 1.0 0.0 4.01 364 318 A 25 GLU H A 25 GLU HGy 1.0 0.0 4.54 365 319 A 25 GLU H A 25 GLU HGx 1.0 0.0 4.54 366 320 A 25 GLU H A 26 LYS HBx 1.0 0.0 5.01 367 320 A 26 LYS HBy A 25 GLU H 1.0 0.0 5.01 368 321 A 23 GLU H A 20 ASN HB2 1.0 0.0 5.27 369 322 A 23 GLU H A 20 ASN HB3 1.0 0.0 5.05 370 323 A 27 GLU H A 24 VAL HA 1.0 0.0 4.81 371 324 A 30 ARG H A 30 ARG HDx 1.0 0.0 5.78 372 325 A 10 THR H A 11 ASN HB3 1.0 0.0 4.79 373 326 A 30 ARG HE A 29 ARG HDx 1.0 0.0 4.65 374 326 A 30 ARG HE A 29 ARG HDy 1.0 0.0 4.65 375 327 A 37 ARG H A 36 CYS HBx 1.0 0.0 5.42 376 328 A 23 GLU HB2 A 20 ASN H 1.0 0.0 4.65 377 329 A 20 ASN HD2x A 22 GLU HBx 1.0 0.0 5.78 378 330 A 20 ASN HD2x A 22 GLU HBy 1.0 0.0 5.78 379 331 A 23 GLU HB2 A 20 ASN HD2x 1.0 0.0 5.78 380 332 A 14 PHE HZ A 35 GLU HBy 1.0 0.0 5.78 381 333 A 14 PHE HZ A 35 GLU HBx 1.0 0.0 5.78 382 334 A 14 PHE HZ A 35 GLU HGx 1.0 0.0 5.26 383 335 A 14 PHE HZ A 35 GLU HGy 1.0 0.0 5.26 384 336 A 5 PHE HE% A 14 PHE HBx 1.0 0.0 4.80 385 337 A 5 PHE HZ A 14 PHE HBx 1.0 0.0 5.24 386 338 A 5 PHE HZ A 14 PHE HBy 1.0 0.0 5.24 387 339 A 5 PHE HE% A 14 PHE HBy 1.0 0.0 4.80 388 340 A 3 TYR HB2 A 5 PHE HE% 1.0 0.0 4.45 389 341 A 3 TYR HB3 A 5 PHE HE% 1.0 0.0 4.84 390 342 A 5 PHE HB3 A 3 TYR HD% 1.0 0.0 4.50 391 343 A 14 PHE HE% A 35 GLU HGx 1.0 0.0 5.05 392 344 A 14 PHE HE% A 35 GLU HGy 1.0 0.0 5.05 393 345 A 5 PHE HB2 A 3 TYR HD% 1.0 0.0 5.75 394 346 A 16 VAL HB A 5 PHE HE% 1.0 0.0 4.39 395 347 A 5 PHE HD% A 3 TYR HB2 1.0 0.0 5.27 396 348 A 5 PHE HD% A 5 PHE HZ 1.0 0.0 4.00 397 349 A 5 PHE HD% A 3 TYR HD% 1.0 0.0 4.23 398 350 A 20 ASN H A 24 VAL H 1.0 0.0 5.28 399 351 A 29 ARG H A 28 ALA H 1.0 0.0 3.89 400 352 A 27 GLU H A 28 ALA H 1.0 0.0 3.79 401 353 A 24 VAL HGx% A 27 GLU HB2 1.0 0.0 4.85 402 354 A 24 VAL HGx% A 3 TYR HB2 1.0 0.0 3.98 403 355 A 3 TYR HB3 A 24 VAL HGx% 1.0 0.0 4.03 404 356 A 24 VAL HGx% A 24 VAL HA 1.0 0.0 3.87 405 357 A 24 VAL HGx% A 25 GLU HA 1.0 0.0 4.60 406 358 A 24 VAL HGx% A 21 PRO HA 1.0 0.0 4.81 407 359 A 24 VAL HGx% A 28 ALA HA 1.0 0.0 4.99 408 360 A 28 ALA HB% A 25 GLU HA 1.0 0.0 3.95 409 361 A 4 THR HG2% A 13 GLU HGx 1.0 0.0 4.86 410 361 A 4 THR HG2% A 13 GLU HGy 1.0 0.0 4.86 411 362 A 28 ALA HB% A 27 GLU HB2 1.0 0.0 4.32 412 363 A 24 VAL HGy% A 21 PRO HA 1.0 0.0 3.98 413 364 A 24 VAL HGy% A 24 VAL HA 1.0 0.0 3.70 414 365 A 23 GLU HB2 A 24 VAL HGy% 1.0 0.0 4.33 415 366 A 24 VAL HGy% A 18 ARG HBy 1.0 0.0 4.24 416 367 A 24 VAL HGy% A 18 ARG HBx 1.0 0.0 4.24 417 368 A 27 GLU HB2 A 16 VAL HGy% 1.0 0.0 4.75 418 369 A 27 GLU HB3 A 16 VAL HGy% 1.0 0.0 4.46 419 370 A 24 VAL HA A 16 VAL HGy% 1.0 0.0 4.49 420 371 A 16 VAL HA A 16 VAL HGy% 1.0 0.0 3.92 421 372 A 10 THR HA A 10 THR HG2% 1.0 0.0 3.44 422 373 A 15 THR HG2% A 2 CYS HB2 1.0 0.0 4.36 423 374 A 15 THR HG2% A 2 CYS HB3 1.0 0.0 3.85 424 375 A 5 PHE HB2 A 28 ALA HB% 1.0 0.0 5.57 425 376 A 31 THR HG2% A 28 ALA HA 1.0 0.0 5.31 426 377 A 31 THR HG2% A 14 PHE HBy 1.0 0.0 5.63 427 378 A 31 THR HG2% A 35 GLU HGy 1.0 0.0 4.88 428 379 A 16 VAL HGx% A 31 THR HG2% 1.0 0.0 5.78 429 380 A 31 THR HG2% A 16 VAL HGy% 1.0 0.0 5.78 430 381 A 31 THR HG2% A 14 PHE HBx 1.0 0.0 5.63 431 382 A 31 THR HG2% A 30 ARG HBx 1.0 0.0 5.78 432 382 A 30 ARG HBy A 31 THR HG2% 1.0 0.0 5.78 433 383 A 31 THR HG2% A 34 GLU HBx 1.0 0.0 5.78 434 383 A 34 GLU HBy A 31 THR HG2% 1.0 0.0 5.78 435 384 A 4 THR HG2% A 13 GLU HBx 1.0 0.0 4.91 436 385 A 4 THR HG2% A 13 GLU HBy 1.0 0.0 4.91 437 386 A 28 ALA HB% A 29 ARG HBx 1.0 0.0 5.17 438 386 A 29 ARG HBy A 28 ALA HB% 1.0 0.0 5.17 439 387 A 15 THR HG2% A 15 THR HA 1.0 0.0 3.82 440 388 A 4 THR HG2% A 15 THR HA 1.0 0.0 4.75 441 389 A 4 THR HG2% A 4 THR HA 1.0 0.0 3.92 442 390 A 15 THR HG2% A 4 THR HA 1.0 0.0 5.00 443 391 A 24 VAL HGy% A 17 CYS HA 1.0 0.0 4.83 444 392 A 24 VAL HGy% A 2 CYS HA 1.0 0.0 5.30 445 393 A 18 ARG HA A 18 ARG HDx 1.0 0.0 4.55 446 394 A 4 THR H A 4 THR HB 1.0 0.0 3.84 447 395 A 30 ARG H A 30 ARG HDy 1.0 0.0 5.78 448 396 A 28 ALA H A 25 GLU HA 1.0 0.0 4.67 449 397 A 18 ARG HA A 18 ARG HDy 1.0 0.0 4.55 450 398 A 2 CYS HB3 A 17 CYS HA 1.0 0.0 5.78 451 399 A 20 ASN HB3 A 21 PRO HDx 1.0 0.0 3.99 452 399 A 21 PRO HDy A 20 ASN HB3 1.0 0.0 3.99 453 400 A 20 ASN HB2 A 21 PRO HDx 1.0 0.0 4.00 454 400 A 21 PRO HDy A 20 ASN HB2 1.0 0.0 4.00 455 401 A 29 ARG HA A 29 ARG HDx 1.0 0.0 5.15 456 401 A 29 ARG HDy A 29 ARG HA 1.0 0.0 5.15 457 402 A 18 ARG H A 17 CYS HBy 1.0 0.0 5.29 458 403 A 10 THR H A 10 THR HG2% 1.0 0.0 4.37 459 404 A 23 GLU H A 24 VAL HGy% 1.0 0.0 5.19 460 405 A 25 GLU H A 24 VAL HGy% 1.0 0.0 5.43 461 406 A 18 ARG HE A 24 VAL HGy% 1.0 0.0 5.27 462 407 A 17 CYS H A 16 VAL HGy% 1.0 0.0 4.40 463 408 A 15 THR HG2% A 15 THR H 1.0 0.0 4.78 464 409 A 14 PHE HZ A 32 LYS HDx 1.0 0.0 5.59 465 409 A 32 LYS HDy A 14 PHE HZ 1.0 0.0 5.59 466 410 A 27 GLU H A 16 VAL HGy% 1.0 0.0 5.45 467 411 A 4 THR H A 15 THR HG2% 1.0 0.0 5.78 468 412 A 4 THR H A 16 VAL HGx% 1.0 0.0 5.78 469 413 A 3 TYR H A 16 VAL HGx% 1.0 0.0 4.74 470 414 A 16 VAL HGx% A 16 VAL H 1.0 0.0 4.00 471 415 A 18 ARG H A 16 VAL HGy% 1.0 0.0 5.78 472 416 A 22 GLU HA A 22 GLU HGx 1.0 0.0 3.50 473 416 A 22 GLU HGy A 22 GLU HA 1.0 0.0 3.50 474 417 A 21 PRO HA A 24 VAL HB 1.0 0.0 4.71 475 418 A 16 VAL HB A 15 THR HB 1.0 0.0 5.78 476 419 A 23 GLU HB2 A 19 PRO HDx 1.0 0.0 3.90 477 419 A 23 GLU HB2 A 19 PRO HDy 1.0 0.0 3.90 478 420 A 7 SER HA A 32 LYS HDx 1.0 0.0 5.21 479 420 A 32 LYS HDy A 7 SER HA 1.0 0.0 5.21 480 421 A 34 GLU HA A 37 ARG HGx 1.0 0.0 5.71 481 422 A 7 SER HA A 6 ARG HGy 1.0 0.0 5.78 482 423 A 11 ASN HA A 6 ARG HGy 1.0 0.0 5.78 483 424 A 7 SER HA A 6 ARG HGx 1.0 0.0 5.78 484 425 A 11 ASN HA A 6 ARG HGx 1.0 0.0 5.78 485 426 A 10 THR HG2% A 7 SER HBx 1.0 0.0 5.78 486 427 A 10 THR HG2% A 35 GLU HA 1.0 0.0 5.78 487 428 A 18 ARG HA A 19 PRO HDx 1.0 0.0 3.56 488 428 A 19 PRO HDy A 18 ARG HA 1.0 0.0 3.56 489 429 A 15 THR HB A 14 PHE HA 1.0 0.0 5.78 490 430 A 36 CYS HA A 9 CYS HBy 1.0 0.0 5.32 491 431 A 31 THR HB A 28 ALA HA 1.0 0.0 4.11 492 432 A 23 GLU HB2 A 18 ARG HGx 1.0 0.0 4.99 493 433 A 16 VAL HGx% A 24 VAL HA 1.0 0.0 4.15 494 434 A 16 VAL HGx% A 27 GLU HB2 1.0 0.0 4.35 495 435 A 23 GLU HB3 A 18 ARG HDx 1.0 0.0 5.30 496 436 A 27 GLU HB2 A 24 VAL HA 1.0 0.0 4.69 497 437 A 27 GLU HB3 A 24 VAL HA 1.0 0.0 5.51 498 438 A 27 GLU HA A 30 ARG HBx 1.0 0.0 4.02 499 438 A 30 ARG HBy A 27 GLU HA 1.0 0.0 4.02 500 439 A 27 GLU HA A 27 GLU HGx 1.0 0.0 4.15 501 440 A 27 GLU HA A 27 GLU HGy 1.0 0.0 4.15 502 441 A 12 LYS HA A 12 LYS HDx 1.0 0.0 4.96 503 441 A 12 LYS HA A 12 LYS HDy 1.0 0.0 4.96 504 442 A 23 GLU HA A 26 LYS HBx 1.0 0.0 4.07 505 442 A 26 LYS HBy A 23 GLU HA 1.0 0.0 4.07 506 443 A 1 GLN HA A 1 GLN HGx 1.0 0.0 3.72 507 443 A 1 GLN HGy A 1 GLN HA 1.0 0.0 3.72 508 444 A 30 ARG HA A 33 GLU HB3 1.0 0.0 4.84 509 445 A 30 ARG HA A 33 GLU HB2 1.0 0.0 4.46 510 446 A 37 ARG HA A 37 ARG HDx 1.0 0.0 5.09 511 446 A 37 ARG HA A 37 ARG HDy 1.0 0.0 5.09 512 447 A 32 LYS HA A 32 LYS HDx 1.0 0.0 4.92 513 447 A 32 LYS HA A 32 LYS HDy 1.0 0.0 4.92 514 448 A 26 LYS HA A 26 LYS HDx 1.0 0.0 5.03 515 448 A 26 LYS HDy A 26 LYS HA 1.0 0.0 5.03 516 449 A 29 ARG HA A 29 ARG HGx 1.0 0.0 4.43 517 450 A 29 ARG HA A 29 ARG HGy 1.0 0.0 4.43 518 451 A 16 VAL HGx% A 28 ALA HA 1.0 0.0 4.43 519 452 A 23 GLU HB3 A 18 ARG HDy 1.0 0.0 5.30 520 453 A 31 THR HA A 34 GLU HBx 1.0 0.0 3.98 521 453 A 34 GLU HBy A 31 THR HA 1.0 0.0 3.98 522 454 A 31 THR HA A 31 THR HG2% 1.0 0.0 3.76 523 455 A 32 LYS HA A 31 THR HG2% 1.0 0.0 4.92 524 456 A 34 GLU HA A 37 ARG HGy 1.0 0.0 5.71 525 457 A 5 PHE HB2 A 32 LYS HDx 1.0 0.0 5.25 526 457 A 5 PHE HB2 A 32 LYS HDy 1.0 0.0 5.25 527 458 A 5 PHE HB2 A 32 LYS HGx 1.0 0.0 5.21 528 458 A 5 PHE HB2 A 32 LYS HGy 1.0 0.0 5.21 529 459 A 31 THR HG2% A 35 GLU HGx 1.0 0.0 4.88 530 460 A 12 LYS HDy A 12 LYS HBy 1.0 0.0 4.18 531 460 A 12 LYS HBy A 12 LYS HDx 1.0 0.0 4.18 532 461 A 12 LYS HDy A 12 LYS HBx 1.0 0.0 4.18 533 461 A 12 LYS HBx A 12 LYS HDx 1.0 0.0 4.18 534 462 A 16 VAL HGx% A 24 VAL HGx% 1.0 0.0 3.97 535 463 A 16 VAL HGx% A 15 THR HA 1.0 0.0 4.94 536 464 A 16 VAL HGx% A 2 CYS HA 1.0 0.0 5.18 537 465 A 24 VAL H A 24 VAL HB 1.0 0.0 3.61 538 466 A 37 ARG HE A 38 LYS H 1.0 0.0 5.78 539 467 A 38 LYS H A 38 LYS HEx 1.0 0.0 5.78 540 467 A 38 LYS H A 38 LYS HEy 1.0 0.0 5.78 541 468 A 15 THR HB A 16 VAL H 1.0 0.0 5.78 542 469 A 26 LYS HBx A 26 LYS HDx 1.0 0.0 4.01 543 469 A 26 LYS HBy A 26 LYS HDx 1.0 0.0 4.01 544 469 A 26 LYS HDy A 26 LYS HBx 1.0 0.0 4.01 545 469 A 26 LYS HBy A 26 LYS HDy 1.0 0.0 4.01 546 470 A 38 LYS HA A 38 LYS HDx 1.0 0.0 5.78 547 470 A 38 LYS HA A 38 LYS HDy 1.0 0.0 5.78 548 471 A 36 CYS HA A 9 CYS HBx 1.0 0.0 5.32 549 472 A 24 VAL H A 23 GLU HB3 1.0 0.0 5.40 550 473 A 3 TYR HD% A 5 PHE HZ 1.0 0.0 4.46 551 474 A 6 ARG HDx A 7 SER H 1.0 0.0 5.78 552 475 A 6 ARG HDy A 7 SER H 1.0 0.0 5.78 553 476 A 14 PHE H A 14 PHE HE% 1.0 0.0 5.78 554 477 A 28 ALA H A 3 TYR HD% 1.0 0.0 5.64 555 478 A 6 ARG HA A 7 SER HBy 1.0 0.0 5.37 556 479 A 6 ARG HA A 7 SER HBx 1.0 0.0 5.37 557 480 A 15 THR HA A 5 PHE HE% 1.0 0.0 5.78 558 481 A 3 TYR HA A 3 TYR HE% 1.0 0.0 5.78 559 482 A 5 PHE HB2 A 3 TYR HE% 1.0 0.0 5.49 560 483 A 5 PHE HB3 A 3 TYR HE% 1.0 0.0 4.90 561 484 A 31 THR HG2% A 5 PHE HD% 1.0 0.0 5.67 562 485 A 5 PHE HZ A 32 LYS HGx 1.0 0.0 5.78 563 485 A 32 LYS HGy A 5 PHE HZ 1.0 0.0 5.78 564 486 A 14 PHE HE% A 32 LYS HGx 1.0 0.0 5.49 565 486 A 32 LYS HGy A 14 PHE HE% 1.0 0.0 5.49 566 487 A 3 TYR HD% A 32 LYS HGx 1.0 0.0 5.78 567 487 A 32 LYS HGy A 3 TYR HD% 1.0 0.0 5.78 568 488 A 14 PHE HZ A 10 THR HB 1.0 0.0 5.78 569 489 A 32 LYS HA A 14 PHE HE% 1.0 0.0 5.78 570 490 A 6 ARG HA A 14 PHE HE% 1.0 0.0 5.76 571 491 A 13 GLU HA A 14 PHE HE% 1.0 0.0 5.73 572 492 A 5 PHE HA A 14 PHE HD% 1.0 0.0 5.78 573 493 A 10 THR HG2% A 14 PHE HE% 1.0 0.0 5.78 574 494 A 16 VAL H A 3 TYR HA 1.0 0.0 5.78 575 495 A 5 PHE H A 16 VAL H 1.0 0.0 5.75 576 496 A 16 VAL H A 2 CYS HB3 1.0 0.0 5.75 577 497 A 16 VAL H A 24 VAL HGy% 1.0 0.0 5.78 578 498 A 16 VAL HB A 15 THR HA 1.0 0.0 5.31 579 499 A 3 TYR HB3 A 24 VAL HB 1.0 0.0 5.45 580 500 A 16 VAL HB A 3 TYR HD% 1.0 0.0 5.78 581 501 A 16 VAL HB A 28 ALA HB% 1.0 0.0 5.78 582 502 A 28 ALA HB% A 24 VAL HB 1.0 0.0 5.78 583 503 A 16 VAL HGx% A 28 ALA HB% 1.0 0.0 4.14 584 504 A 10 THR HG2% A 7 SER HBy 1.0 0.0 5.78 585 505 A 23 GLU HB2 A 18 ARG HGy 1.0 0.0 4.99 586 506 A 5 PHE HB3 A 4 THR HG2% 1.0 0.0 5.78 587 507 A 5 PHE HB3 A 28 ALA HB% 1.0 0.0 5.78 588 508 A 31 THR HB A 28 ALA HB% 1.0 0.0 5.53 589 509 A 26 LYS H A 25 GLU HGy 1.0 0.0 5.78 590 510 A 26 LYS H A 25 GLU HGx 1.0 0.0 5.78 591 511 A 26 LYS H A 24 VAL HA 1.0 0.0 5.67 592 512 A 18 ARG HE A 23 GLU HB3 1.0 0.0 5.78 593 513 A 37 ARG H A 37 ARG HDx 1.0 0.0 5.78 594 513 A 37 ARG H A 37 ARG HDy 1.0 0.0 5.78 595 514 A 37 ARG H A 36 CYS HBy 1.0 0.0 5.42 596 515 A 1 GLN HA A 1 GLN HE2x 1.0 0.0 5.61 597 515 A 1 GLN HA A 1 GLN HE2y 1.0 0.0 5.61 598 516 A 2 CYS HA A 17 CYS HBy 1.0 0.0 5.17 599 516 A 2 CYS HA A 17 CYS HBx 1.0 0.0 5.17 600 517 A 4 THR HG2% A 13 GLU HBx 1.0 0.0 4.20 601 517 A 4 THR HG2% A 13 GLU HBy 1.0 0.0 4.20 602 518 A 5 PHE HD% A 14 PHE HBy 1.0 0.0 5.09 603 518 A 5 PHE HD% A 14 PHE HBx 1.0 0.0 5.09 604 519 A 5 PHE HE% A 14 PHE HBy 1.0 0.0 4.22 605 519 A 5 PHE HE% A 14 PHE HBx 1.0 0.0 4.22 606 520 A 5 PHE HZ A 14 PHE HBy 1.0 0.0 4.42 607 520 A 5 PHE HZ A 14 PHE HBx 1.0 0.0 4.42 608 521 A 6 ARG H A 6 ARG HBx 1.0 0.0 3.89 609 521 A 6 ARG H A 6 ARG HBy 1.0 0.0 3.89 610 522 A 6 ARG H A 6 ARG HGx 1.0 0.0 4.97 611 522 A 6 ARG H A 6 ARG HGy 1.0 0.0 4.97 612 523 A 6 ARG H A 7 SER HBx 1.0 0.0 5.61 613 523 A 6 ARG H A 7 SER HBy 1.0 0.0 5.61 614 524 A 6 ARG HE A 6 ARG HBx 1.0 0.0 4.76 615 524 A 6 ARG HE A 6 ARG HBy 1.0 0.0 4.76 616 525 A 7 SER H A 6 ARG HBx 1.0 0.0 4.50 617 525 A 7 SER H A 6 ARG HBy 1.0 0.0 4.50 618 526 A 13 GLU HA A 6 ARG HBx 1.0 0.0 5.08 619 526 A 13 GLU HA A 6 ARG HBy 1.0 0.0 5.08 620 527 A 7 SER H A 6 ARG HGx 1.0 0.0 4.73 621 527 A 7 SER H A 6 ARG HGy 1.0 0.0 4.73 622 528 A 13 GLU HA A 6 ARG HGx 1.0 0.0 5.61 623 528 A 13 GLU HA A 6 ARG HGy 1.0 0.0 5.61 624 529 A 7 SER H A 7 SER HBx 1.0 0.0 3.62 625 529 A 7 SER H A 7 SER HBy 1.0 0.0 3.62 626 530 A 9 CYS H A 7 SER HBx 1.0 0.0 5.61 627 530 A 9 CYS H A 7 SER HBy 1.0 0.0 5.61 628 531 A 10 THR H A 7 SER HBx 1.0 0.0 5.43 629 531 A 10 THR H A 7 SER HBy 1.0 0.0 5.43 630 532 A 11 ASN H A 7 SER HBx 1.0 0.0 4.78 631 532 A 11 ASN H A 7 SER HBy 1.0 0.0 4.78 632 533 A 14 PHE HD% A 7 SER HBx 1.0 0.0 4.16 633 533 A 14 PHE HD% A 7 SER HBy 1.0 0.0 4.16 634 534 A 14 PHE HE% A 7 SER HBx 1.0 0.0 3.98 635 534 A 14 PHE HE% A 7 SER HBy 1.0 0.0 3.98 636 535 A 14 PHE HZ A 7 SER HBx 1.0 0.0 5.61 637 535 A 14 PHE HZ A 7 SER HBy 1.0 0.0 5.61 638 536 A 10 THR HG2% A 9 CYS HBx 1.0 0.0 4.73 639 536 A 10 THR HG2% A 9 CYS HBy 1.0 0.0 4.73 640 537 A 36 CYS HA A 9 CYS HBx 1.0 0.0 4.48 641 537 A 36 CYS HA A 9 CYS HBy 1.0 0.0 4.48 642 538 A 10 THR HG2% A 35 GLU HBx 1.0 0.0 4.70 643 538 A 10 THR HG2% A 35 GLU HBy 1.0 0.0 4.70 644 539 A 10 THR HG2% A 35 GLU HGy 1.0 0.0 3.86 645 539 A 10 THR HG2% A 35 GLU HGx 1.0 0.0 3.86 646 540 A 12 LYS H A 12 LYS HBy 1.0 0.0 3.68 647 540 A 12 LYS H A 12 LYS HBx 1.0 0.0 3.68 648 541 A 12 LYS HA A 13 GLU HBx 1.0 0.0 5.48 649 541 A 12 LYS HA A 13 GLU HBy 1.0 0.0 5.48 650 542 A 12 LYS HBx A 12 LYS HDx 1.0 0.0 3.64 651 542 A 12 LYS HBy A 12 LYS HDx 1.0 0.0 3.64 652 542 A 12 LYS HDy A 12 LYS HBy 1.0 0.0 3.64 653 542 A 12 LYS HDy A 12 LYS HBx 1.0 0.0 3.64 654 543 A 13 GLU H A 12 LYS HBy 1.0 0.0 4.42 655 543 A 13 GLU H A 12 LYS HBx 1.0 0.0 4.42 656 544 A 14 PHE HD% A 12 LYS HBy 1.0 0.0 5.27 657 544 A 14 PHE HD% A 12 LYS HBx 1.0 0.0 5.27 658 545 A 14 PHE HE% A 12 LYS HBy 1.0 0.0 4.86 659 545 A 14 PHE HE% A 12 LYS HBx 1.0 0.0 4.86 660 546 A 14 PHE HZ A 12 LYS HBy 1.0 0.0 4.61 661 546 A 14 PHE HZ A 12 LYS HBx 1.0 0.0 4.61 662 547 A 15 THR H A 14 PHE HBy 1.0 0.0 4.23 663 547 A 15 THR H A 14 PHE HBx 1.0 0.0 4.23 664 548 A 16 VAL HGx% A 14 PHE HBy 1.0 0.0 5.16 665 548 A 16 VAL HGx% A 14 PHE HBx 1.0 0.0 5.16 666 549 A 16 VAL HGy% A 14 PHE HBy 1.0 0.0 5.61 667 549 A 16 VAL HGy% A 14 PHE HBx 1.0 0.0 5.61 668 550 A 31 THR HG2% A 14 PHE HBy 1.0 0.0 4.91 669 550 A 31 THR HG2% A 14 PHE HBx 1.0 0.0 4.91 670 551 A 14 PHE HD% A 35 GLU HGy 1.0 0.0 5.05 671 551 A 14 PHE HD% A 35 GLU HGx 1.0 0.0 5.05 672 552 A 14 PHE HE% A 35 GLU HGy 1.0 0.0 4.18 673 552 A 14 PHE HE% A 35 GLU HGx 1.0 0.0 4.18 674 553 A 14 PHE HZ A 35 GLU HGy 1.0 0.0 4.49 675 553 A 14 PHE HZ A 35 GLU HGx 1.0 0.0 4.49 676 554 A 16 VAL HGy% A 18 ARG HGx 1.0 0.0 5.61 677 554 A 16 VAL HGy% A 18 ARG HGy 1.0 0.0 5.61 678 555 A 16 VAL HGy% A 27 GLU HGy 1.0 0.0 4.41 679 555 A 16 VAL HGy% A 27 GLU HGx 1.0 0.0 4.41 680 556 A 18 ARG H A 17 CYS HBy 1.0 0.0 4.43 681 556 A 18 ARG H A 17 CYS HBx 1.0 0.0 4.43 682 557 A 18 ARG H A 18 ARG HGx 1.0 0.0 4.96 683 557 A 18 ARG H A 18 ARG HGy 1.0 0.0 4.96 684 558 A 18 ARG H A 18 ARG HDx 1.0 0.0 5.61 685 558 A 18 ARG H A 18 ARG HDy 1.0 0.0 5.61 686 559 A 18 ARG HA A 18 ARG HDx 1.0 0.0 3.91 687 559 A 18 ARG HA A 18 ARG HDy 1.0 0.0 3.91 688 560 A 18 ARG HE A 18 ARG HBx 1.0 0.0 5.61 689 560 A 18 ARG HE A 18 ARG HBy 1.0 0.0 5.61 690 561 A 18 ARG HBy A 19 PRO HDx 1.0 0.0 3.39 691 561 A 18 ARG HBx A 19 PRO HDx 1.0 0.0 3.39 692 561 A 19 PRO HDy A 18 ARG HBx 1.0 0.0 3.39 693 561 A 19 PRO HDy A 18 ARG HBy 1.0 0.0 3.39 694 562 A 20 ASN H A 18 ARG HBx 1.0 0.0 3.93 695 562 A 20 ASN H A 18 ARG HBy 1.0 0.0 3.93 696 563 A 20 ASN HD2y A 18 ARG HBy 1.0 0.0 5.00 697 563 A 20 ASN HD2x A 18 ARG HBy 1.0 0.0 5.00 698 563 A 20 ASN HD2x A 18 ARG HBx 1.0 0.0 5.00 699 563 A 20 ASN HD2y A 18 ARG HBx 1.0 0.0 5.00 700 564 A 24 VAL H A 18 ARG HBx 1.0 0.0 4.58 701 564 A 24 VAL H A 18 ARG HBy 1.0 0.0 4.58 702 565 A 24 VAL HA A 18 ARG HBx 1.0 0.0 5.19 703 565 A 24 VAL HA A 18 ARG HBy 1.0 0.0 5.19 704 566 A 24 VAL HGy% A 18 ARG HBx 1.0 0.0 3.57 705 566 A 24 VAL HGy% A 18 ARG HBy 1.0 0.0 3.57 706 567 A 23 GLU HB2 A 18 ARG HGx 1.0 0.0 4.34 707 567 A 23 GLU HB2 A 18 ARG HGy 1.0 0.0 4.34 708 568 A 23 GLU HB3 A 18 ARG HGx 1.0 0.0 4.21 709 568 A 23 GLU HB3 A 18 ARG HGy 1.0 0.0 4.21 710 569 A 24 VAL H A 18 ARG HGx 1.0 0.0 5.03 711 569 A 24 VAL H A 18 ARG HGy 1.0 0.0 5.03 712 570 A 24 VAL HA A 18 ARG HGx 1.0 0.0 4.79 713 570 A 24 VAL HA A 18 ARG HGy 1.0 0.0 4.79 714 571 A 20 ASN HD2y A 20 ASN H 1.0 0.0 5.12 715 571 A 20 ASN H A 20 ASN HD2x 1.0 0.0 5.12 716 572 A 20 ASN HD2y A 20 ASN HB2 1.0 0.0 3.72 717 572 A 20 ASN HB2 A 20 ASN HD2x 1.0 0.0 3.72 718 573 A 20 ASN HD2y A 20 ASN HB3 1.0 0.0 3.65 719 573 A 20 ASN HB3 A 20 ASN HD2x 1.0 0.0 3.65 720 574 A 20 ASN HD2y A 23 GLU HGy 1.0 0.0 4.26 721 574 A 20 ASN HD2y A 23 GLU HGx 1.0 0.0 4.26 722 574 A 20 ASN HD2x A 23 GLU HGx 1.0 0.0 4.26 723 574 A 20 ASN HD2x A 23 GLU HGy 1.0 0.0 4.26 724 575 A 22 GLU H A 25 GLU HGy 1.0 0.0 4.87 725 575 A 22 GLU H A 25 GLU HGx 1.0 0.0 4.87 726 576 A 22 GLU HA A 25 GLU HBx 1.0 0.0 4.42 727 576 A 22 GLU HA A 25 GLU HBy 1.0 0.0 4.42 728 577 A 22 GLU HA A 25 GLU HGy 1.0 0.0 4.75 729 577 A 22 GLU HA A 25 GLU HGx 1.0 0.0 4.75 730 578 A 23 GLU H A 22 GLU HBx 1.0 0.0 3.60 731 578 A 23 GLU H A 22 GLU HBy 1.0 0.0 3.60 732 579 A 23 GLU H A 23 GLU HGy 1.0 0.0 4.16 733 579 A 23 GLU H A 23 GLU HGx 1.0 0.0 4.16 734 580 A 24 VAL HGy% A 23 GLU HGy 1.0 0.0 5.61 735 580 A 24 VAL HGy% A 23 GLU HGx 1.0 0.0 5.61 736 581 A 24 VAL H A 27 GLU HGy 1.0 0.0 5.58 737 581 A 24 VAL H A 27 GLU HGx 1.0 0.0 5.58 738 582 A 24 VAL HGx% A 27 GLU HGy 1.0 0.0 5.47 739 582 A 24 VAL HGx% A 27 GLU HGx 1.0 0.0 5.47 740 583 A 24 VAL HGy% A 27 GLU HGy 1.0 0.0 5.03 741 583 A 24 VAL HGy% A 27 GLU HGx 1.0 0.0 5.03 742 584 A 25 GLU H A 25 GLU HBx 1.0 0.0 3.60 743 584 A 25 GLU H A 25 GLU HBy 1.0 0.0 3.60 744 585 A 25 GLU HA A 25 GLU HGy 1.0 0.0 3.91 745 585 A 25 GLU HA A 25 GLU HGx 1.0 0.0 3.91 746 586 A 26 LYS H A 25 GLU HBx 1.0 0.0 3.75 747 586 A 26 LYS H A 25 GLU HBy 1.0 0.0 3.75 748 587 A 28 ALA HB% A 25 GLU HBx 1.0 0.0 5.53 749 587 A 28 ALA HB% A 25 GLU HBy 1.0 0.0 5.53 750 588 A 26 LYS H A 27 GLU HGy 1.0 0.0 5.39 751 588 A 26 LYS H A 27 GLU HGx 1.0 0.0 5.39 752 589 A 26 LYS HA A 29 ARG HGx 1.0 0.0 5.61 753 589 A 26 LYS HA A 29 ARG HGy 1.0 0.0 5.61 754 590 A 26 LYS HA A 30 ARG HGx 1.0 0.0 5.61 755 590 A 26 LYS HA A 30 ARG HGy 1.0 0.0 5.61 756 591 A 27 GLU H A 29 ARG HGx 1.0 0.0 5.61 757 591 A 27 GLU H A 29 ARG HGy 1.0 0.0 5.61 758 592 A 27 GLU H A 30 ARG HGx 1.0 0.0 5.61 759 592 A 27 GLU H A 30 ARG HGy 1.0 0.0 5.61 760 593 A 27 GLU HA A 27 GLU HGy 1.0 0.0 3.44 761 593 A 27 GLU HA A 27 GLU HGx 1.0 0.0 3.44 762 594 A 27 GLU HB2 A 27 GLU HGy 1.0 0.0 2.70 763 594 A 27 GLU HB2 A 27 GLU HGx 1.0 0.0 2.70 764 595 A 28 ALA H A 27 GLU HGy 1.0 0.0 5.19 765 595 A 28 ALA H A 27 GLU HGx 1.0 0.0 5.19 766 596 A 28 ALA HB% A 32 LYS HBy 1.0 0.0 5.34 767 596 A 28 ALA HB% A 32 LYS HBx 1.0 0.0 5.34 768 597 A 29 ARG H A 29 ARG HGx 1.0 0.0 4.45 769 597 A 29 ARG H A 29 ARG HGy 1.0 0.0 4.45 770 598 A 29 ARG HA A 32 LYS HBy 1.0 0.0 5.01 771 598 A 29 ARG HA A 32 LYS HBx 1.0 0.0 5.01 772 599 A 30 ARG HA A 29 ARG HGx 1.0 0.0 5.26 773 599 A 30 ARG HA A 29 ARG HGy 1.0 0.0 5.26 774 600 A 30 ARG HE A 29 ARG HGx 1.0 0.0 5.44 775 600 A 30 ARG HE A 29 ARG HGy 1.0 0.0 5.44 776 601 A 31 THR H A 29 ARG HGx 1.0 0.0 5.61 777 601 A 31 THR H A 29 ARG HGy 1.0 0.0 5.61 778 602 A 33 GLU H A 29 ARG HGx 1.0 0.0 5.61 779 602 A 33 GLU H A 29 ARG HGy 1.0 0.0 5.61 780 603 A 29 ARG HE A 30 ARG HGx 1.0 0.0 5.61 781 603 A 29 ARG HE A 30 ARG HGy 1.0 0.0 5.61 782 604 A 29 ARG HE A 30 ARG HDx 1.0 0.0 4.48 783 604 A 29 ARG HE A 30 ARG HDy 1.0 0.0 4.48 784 605 A 30 ARG H A 30 ARG HGx 1.0 0.0 4.76 785 605 A 30 ARG H A 30 ARG HGy 1.0 0.0 4.76 786 606 A 30 ARG H A 30 ARG HDx 1.0 0.0 4.98 787 606 A 30 ARG H A 30 ARG HDy 1.0 0.0 4.98 788 607 A 31 THR H A 30 ARG HGx 1.0 0.0 4.97 789 607 A 31 THR H A 30 ARG HGy 1.0 0.0 4.97 790 608 A 31 THR HG2% A 35 GLU HBx 1.0 0.0 5.61 791 608 A 31 THR HG2% A 35 GLU HBy 1.0 0.0 5.61 792 609 A 32 LYS H A 32 LYS HBy 1.0 0.0 3.60 793 609 A 32 LYS H A 32 LYS HBx 1.0 0.0 3.60 794 610 A 33 GLU H A 32 LYS HBy 1.0 0.0 3.84 795 610 A 33 GLU H A 32 LYS HBx 1.0 0.0 3.84 796 611 A 33 GLU H A 33 GLU HGy 1.0 0.0 3.82 797 611 A 33 GLU H A 33 GLU HGx 1.0 0.0 3.82 798 612 A 33 GLU HA A 36 CYS HBx 1.0 0.0 5.09 799 612 A 33 GLU HA A 36 CYS HBy 1.0 0.0 5.09 800 613 A 34 GLU H A 33 GLU HGy 1.0 0.0 4.64 801 613 A 34 GLU H A 33 GLU HGx 1.0 0.0 4.64 802 614 A 34 GLU H A 34 GLU HGx 1.0 0.0 4.47 803 614 A 34 GLU H A 34 GLU HGy 1.0 0.0 4.47 804 615 A 34 GLU H A 37 ARG HGx 1.0 0.0 5.61 805 615 A 34 GLU H A 37 ARG HGy 1.0 0.0 5.61 806 616 A 34 GLU HA A 37 ARG HGx 1.0 0.0 4.88 807 616 A 34 GLU HA A 37 ARG HGy 1.0 0.0 4.88 808 617 A 35 GLU H A 35 GLU HGy 1.0 0.0 3.61 809 617 A 35 GLU H A 35 GLU HGx 1.0 0.0 3.61 810 618 A 35 GLU HA A 35 GLU HGy 1.0 0.0 3.89 811 618 A 35 GLU HA A 35 GLU HGx 1.0 0.0 3.89 812 619 A 35 GLU HBx A 36 CYS HBx 1.0 0.0 5.44 813 619 A 35 GLU HBy A 36 CYS HBx 1.0 0.0 5.44 814 619 A 36 CYS HBy A 35 GLU HBx 1.0 0.0 5.44 815 619 A 35 GLU HBy A 36 CYS HBy 1.0 0.0 5.44 816 620 A 36 CYS H A 35 GLU HGy 1.0 0.0 5.34 817 620 A 36 CYS H A 35 GLU HGx 1.0 0.0 5.34 818 621 A 36 CYS H A 36 CYS HBx 1.0 0.0 3.77 819 621 A 36 CYS H A 36 CYS HBy 1.0 0.0 3.77 820 622 A 37 ARG H A 37 ARG HBx 1.0 0.0 3.78 821 622 A 37 ARG H A 37 ARG HBy 1.0 0.0 3.78 822 623 A 37 ARG H A 37 ARG HGx 1.0 0.0 4.45 823 623 A 37 ARG H A 37 ARG HGy 1.0 0.0 4.45 824 624 A 37 ARG HE A 37 ARG HBx 1.0 0.0 5.60 825 624 A 37 ARG HE A 37 ARG HBy 1.0 0.0 5.60 826 625 A 38 LYS HA A 37 ARG HGx 1.0 0.0 4.74 827 625 A 38 LYS HA A 37 ARG HGy 1.0 0.0 4.74 828 626 A 9 CYS SG A 36 CYS SG 1.0 0.0 2.21 829 627 A 9 CYS SG A 36 CYS CB 1.0 0.0 3.26 830 628 A 36 CYS SG A 9 CYS CB 1.0 0.0 3.26 831 629 A 2 CYS SG A 17 CYS SG 1.0 0.0 2.21 832 630 A 17 CYS SG A 2 CYS CB 1.0 0.0 3.26 833 631 A 2 CYS SG A 17 CYS CB 1.0 0.0 3.26 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_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 3 TYR C A 4 THR N A 4 THR CA A 4 THR C 1.0 -133.6 -91.4 PHI 2 2 A 4 THR N A 4 THR CA A 4 THR C A 5 PHE N 1.0 119.6 139.6 PSI 3 3 A 4 THR C A 5 PHE N A 5 PHE CA A 5 PHE C 1.0 -164.0 -122.8 PHI 4 4 A 5 PHE N A 5 PHE CA A 5 PHE C A 6 ARG N 1.0 141.5 178.9 PSI 5 5 A 5 PHE C A 6 ARG N A 6 ARG CA A 6 ARG C 1.0 -122.1 -70.7 PHI 6 6 A 6 ARG N A 6 ARG CA A 6 ARG C A 7 SER N 1.0 104.2 146.8 PSI 7 7 A 12 LYS C A 13 GLU N A 13 GLU CA A 13 GLU C 1.0 -111.3 -68.7 PHI 8 8 A 13 GLU N A 13 GLU CA A 13 GLU C A 14 PHE N 1.0 103.5 151.9 PSI 9 9 A 13 GLU C A 14 PHE N A 14 PHE CA A 14 PHE C 1.0 -153.6 -118.0 PHI 10 10 A 14 PHE N A 14 PHE CA A 14 PHE C A 15 THR N 1.0 126.3 167.1 PSI 11 11 A 14 PHE C A 15 THR N A 15 THR CA A 15 THR C 1.0 -139.1 -92.5 PHI 12 12 A 15 THR N A 15 THR CA A 15 THR C A 16 VAL N 1.0 116.4 140.2 PSI 13 13 A 15 THR C A 16 VAL N A 16 VAL CA A 16 VAL C 1.0 -135.1 -98.5 PHI 14 14 A 16 VAL N A 16 VAL CA A 16 VAL C A 17 CYS N 1.0 115.2 143.8 PSI 15 15 A 21 PRO C A 22 GLU N A 22 GLU CA A 22 GLU C 1.0 -73.7 -53.7 PHI 16 16 A 22 GLU N A 22 GLU CA A 22 GLU C A 23 GLU N 1.0 -54.0 -27.0 PSI 17 17 A 22 GLU C A 23 GLU N A 23 GLU CA A 23 GLU C 1.0 -78.6 -58.6 PHI 18 18 A 23 GLU N A 23 GLU CA A 23 GLU C A 24 VAL N 1.0 -49.3 -29.3 PSI 19 19 A 23 GLU C A 24 VAL N A 24 VAL CA A 24 VAL C 1.0 -75.5 -55.5 PHI 20 20 A 24 VAL N A 24 VAL CA A 24 VAL C A 25 GLU N 1.0 -55.8 -35.8 PSI 21 21 A 24 VAL C A 25 GLU N A 25 GLU CA A 25 GLU C 1.0 -73.4 -53.4 PHI 22 22 A 25 GLU N A 25 GLU CA A 25 GLU C A 26 LYS N 1.0 -50.6 -30.6 PSI 23 23 A 25 GLU C A 26 LYS N A 26 LYS CA A 26 LYS C 1.0 -73.9 -53.7 PHI 24 24 A 26 LYS N A 26 LYS CA A 26 LYS C A 27 GLU N 1.0 -53.1 -33.1 PSI 25 25 A 26 LYS C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -76.8 -56.8 PHI 26 26 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 ALA N 1.0 -49.0 -29.0 PSI 27 27 A 27 GLU C A 28 ALA N A 28 ALA CA A 28 ALA C 1.0 -73.2 -53.2 PHI 28 28 A 28 ALA N A 28 ALA CA A 28 ALA C A 29 ARG N 1.0 -51.3 -31.3 PSI 29 29 A 28 ALA C A 29 ARG N A 29 ARG CA A 29 ARG C 1.0 -73.4 -53.4 PHI 30 30 A 29 ARG N A 29 ARG CA A 29 ARG C A 30 ARG N 1.0 -51.5 -31.5 PSI 31 31 A 29 ARG C A 30 ARG N A 30 ARG CA A 30 ARG C 1.0 -73.9 -53.9 PHI 32 32 A 30 ARG N A 30 ARG CA A 30 ARG C A 31 THR N 1.0 -50.3 -30.3 PSI 33 33 A 30 ARG C A 31 THR N A 31 THR CA A 31 THR C 1.0 -74.0 -54.0 PHI 34 34 A 31 THR N A 31 THR CA A 31 THR C A 32 LYS N 1.0 -53.4 -33.4 PSI 35 35 A 31 THR C A 32 LYS N A 32 LYS CA A 32 LYS C 1.0 -72.8 -52.8 PHI 36 36 A 32 LYS N A 32 LYS CA A 32 LYS C A 33 GLU N 1.0 -53.3 -33.3 PSI 37 37 A 32 LYS C A 33 GLU N A 33 GLU CA A 33 GLU C 1.0 -73.9 -53.9 PHI 38 38 A 33 GLU N A 33 GLU CA A 33 GLU C A 34 GLU N 1.0 -52.4 -29.0 PSI 39 39 A 33 GLU C A 34 GLU N A 34 GLU CA A 34 GLU C 1.0 -79.4 -56.8 PHI 40 40 A 34 GLU N A 34 GLU CA A 34 GLU C A 35 GLU N 1.0 -49.9 -21.9 PSI 41 41 A 34 GLU C A 35 GLU N A 35 GLU CA A 35 GLU C 1.0 -79.5 -59.5 PHI 42 42 A 35 GLU N A 35 GLU CA A 35 GLU C A 36 CYS N 1.0 -40.8 -8.8 PSI 43 43 A 35 GLU C A 36 CYS N A 36 CYS CA A 36 CYS C 1.0 -111.1 -82.9 PHI 44 44 A 36 CYS N A 36 CYS CA A 36 CYS C A 37 ARG N 1.0 -15.5 22.1 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 3 Hz 15H,H,N 7500 . stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions 2 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 2 Hz 15H,H 7500 . stop_ save_