data_nef_c16209_2kgg 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 16210 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 3 CYS SG 2 2 ZN ZN 1 8 CYS SG 2 2 ZN ZN 1 21 CYS SG 2 1 ZN ZN 1 25 CYS SG 2 1 ZN ZN 1 30 HIS ND1 2 2 ZN ZN 1 33 CYS SG 2 2 ZN ZN 1 48 CYS SG 2 1 ZN ZN 1 51 CYS SG 2 1 ZN ZN stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 SER start . . 2 A 2 VAL middle . . 3 A 3 CYS middle -HG . 4 A 4 ALA middle . . 5 A 5 ALA middle . . 6 A 6 GLN middle . . 7 A 7 ASN middle . . 8 A 8 CYS middle -HG . 9 A 9 GLN middle . . 10 A 10 ARG middle . . 11 A 11 PRO middle . false 12 A 12 CYS middle . . 13 A 13 LYS middle . . 14 A 14 ASP middle . . 15 A 15 LYS middle . . 16 A 16 VAL middle . . 17 A 17 ASP middle . . 18 A 18 TRP middle . . 19 A 19 VAL middle . . 20 A 20 GLN middle . . 21 A 21 CYS middle -HG . 22 A 22 ASP middle . . 23 A 23 GLY middle . false 24 A 24 GLY middle . false 25 A 25 CYS middle -HG . 26 A 26 ASP middle . . 27 A 27 GLU middle . . 28 A 28 TRP middle . . 29 A 29 PHE middle . . 30 A 30 HIS middle -HD1 . 31 A 31 GLN middle . . 32 A 32 VAL middle . . 33 A 33 CYS middle -HG . 34 A 34 VAL middle . . 35 A 35 GLY middle . false 36 A 36 VAL middle . . 37 A 37 SER middle . . 38 A 38 PRO middle . false 39 A 39 GLU middle . . 40 A 40 MET middle . . 41 A 41 ALA middle . . 42 A 42 GLU middle . . 43 A 43 ASN middle . . 44 A 44 GLU middle . . 45 A 45 ASP middle . . 46 A 46 TYR middle . . 47 A 47 ILE middle . . 48 A 48 CYS middle -HG . 49 A 49 ILE middle . . 50 A 50 ASN middle . . 51 A 51 CYS middle -HG . 52 A 52 ALA end . . 53 B 1 ZN . . . 54 B 2 ZN . . . 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 2 VAL H H 1 8.398 0.05 A 2 VAL HA H 1 5.045 0.05 A 2 VAL HB H 1 2.093 0.05 A 2 VAL HGx% H 1 1.086 0.05 A 2 VAL HGy% H 1 0.991 0.05 A 2 VAL C C 13 175.547 0.15 A 2 VAL CA C 13 60.781 0.15 A 2 VAL CB C 13 34.251 0.15 A 2 VAL CGy C 13 21.321 0.15 A 2 VAL CGx C 13 20.453 0.15 A 3 CYS H H 1 9.217 0.05 A 3 CYS HA H 1 5.017 0.05 A 3 CYS HBx H 1 1.594 0.05 A 3 CYS HBy H 1 2.855 0.05 A 3 CYS C C 13 174.515 0.15 A 3 CYS CA C 13 57.354 0.15 A 3 CYS CB C 13 31.812 0.15 A 3 CYS N N 15 128.514 0.15 A 4 ALA H H 1 7.577 0.05 A 4 ALA HA H 1 4.294 0.05 A 4 ALA HB% H 1 0.891 0.05 A 4 ALA C C 13 177.618 0.15 A 4 ALA CA C 13 52.672 0.15 A 4 ALA CB C 13 18.970 0.15 A 4 ALA N N 15 121.274 0.15 A 5 ALA H H 1 9.064 0.05 A 5 ALA HA H 1 4.553 0.05 A 5 ALA HB% H 1 1.568 0.05 A 5 ALA C C 13 177.906 0.15 A 5 ALA CA C 13 53.048 0.15 A 5 ALA CB C 13 19.508 0.15 A 5 ALA N N 15 125.546 0.15 A 6 GLN H H 1 9.013 0.05 A 6 GLN HA H 1 4.099 0.05 A 6 GLN HBx H 1 2.102 0.05 A 6 GLN HBy H 1 2.147 0.05 A 6 GLN HE2y H 1 7.694 0.05 A 6 GLN HE2x H 1 6.950 0.05 A 6 GLN HGx H 1 2.491 0.05 A 6 GLN C C 13 176.725 0.15 A 6 GLN CA C 13 58.528 0.15 A 6 GLN CB C 13 28.394 0.15 A 6 GLN CG C 13 34.031 0.15 A 6 GLN N N 15 123.087 0.15 A 6 GLN NE2 N 15 112.739 0.15 A 7 ASN H H 1 8.406 0.05 A 7 ASN HA H 1 4.883 0.05 A 7 ASN HB2 H 1 2.780 0.05 A 7 ASN HD2y H 1 7.639 0.05 A 7 ASN HD2x H 1 6.944 0.05 A 7 ASN C C 13 173.875 0.15 A 7 ASN CA C 13 51.765 0.15 A 7 ASN CB C 13 37.899 0.15 A 7 ASN N N 15 115.683 0.15 A 7 ASN ND2 N 15 112.612 0.15 A 8 CYS H H 1 7.743 0.05 A 8 CYS HA H 1 4.975 0.05 A 8 CYS HBx H 1 2.900 0.05 A 8 CYS HBy H 1 3.407 0.05 A 8 CYS C C 13 177.334 0.15 A 8 CYS CA C 13 59.497 0.15 A 8 CYS CB C 13 29.111 0.15 A 8 CYS N N 15 122.794 0.15 A 9 GLN H H 1 9.862 0.05 A 9 GLN HA H 1 4.190 0.05 A 9 GLN HBx H 1 1.817 0.05 A 9 GLN HBy H 1 2.300 0.05 A 9 GLN HE2x H 1 6.654 0.05 A 9 GLN HE2y H 1 7.576 0.05 A 9 GLN HGx H 1 2.548 0.05 A 9 GLN HGy H 1 2.588 0.05 A 9 GLN C C 13 175.014 0.15 A 9 GLN CA C 13 56.768 0.15 A 9 GLN CB C 13 28.755 0.15 A 9 GLN CG C 13 34.244 0.15 A 9 GLN N N 15 133.013 0.15 A 9 GLN NE2 N 15 111.928 0.15 A 10 ARG H H 1 10.074 0.05 A 10 ARG HA H 1 4.152 0.05 A 10 ARG HBx H 1 1.689 0.05 A 10 ARG HBy H 1 1.938 0.05 A 10 ARG HDx H 1 3.197 0.05 A 10 ARG HGy H 1 1.651 0.05 A 10 ARG HGx H 1 1.613 0.05 A 10 ARG CA C 13 55.345 0.15 A 10 ARG CB C 13 27.843 0.15 A 10 ARG CD C 13 43.823 0.15 A 10 ARG CG C 13 27.917 0.15 A 10 ARG N N 15 122.014 0.15 A 11 PRO HA H 1 4.278 0.05 A 11 PRO HBx H 1 1.628 0.05 A 11 PRO HBy H 1 1.933 0.05 A 11 PRO HDx H 1 2.923 0.05 A 11 PRO HGy H 1 0.984 0.05 A 11 PRO HGx H 1 0.942 0.05 A 11 PRO C C 13 177.028 0.15 A 11 PRO CA C 13 62.703 0.15 A 11 PRO CB C 13 31.618 0.15 A 11 PRO CD C 13 51.397 0.15 A 11 PRO CG C 13 26.803 0.15 A 12 CYS H H 1 8.488 0.05 A 12 CYS HA H 1 4.519 0.05 A 12 CYS HBx H 1 2.900 0.05 A 12 CYS HBy H 1 2.963 0.05 A 12 CYS C C 13 174.690 0.15 A 12 CYS CA C 13 58.146 0.15 A 12 CYS CB C 13 28.174 0.15 A 12 CYS N N 15 118.868 0.15 A 13 LYS H H 1 7.827 0.05 A 13 LYS HA H 1 4.231 0.05 A 13 LYS HBx H 1 1.762 0.05 A 13 LYS HBy H 1 1.860 0.05 A 13 LYS HDx H 1 1.694 0.05 A 13 LYS HEx H 1 3.004 0.05 A 13 LYS HGx H 1 1.420 0.05 A 13 LYS C C 13 175.756 0.15 A 13 LYS CA C 13 56.836 0.15 A 13 LYS CB C 13 33.502 0.15 A 13 LYS CD C 13 29.218 0.15 A 13 LYS CE C 13 42.186 0.15 A 13 LYS CG C 13 24.738 0.15 A 13 LYS N N 15 122.032 0.15 A 14 ASP H H 1 8.348 0.05 A 14 ASP HA H 1 4.429 0.05 A 14 ASP HBx H 1 2.673 0.05 A 14 ASP HBy H 1 2.709 0.05 A 14 ASP C C 13 176.011 0.15 A 14 ASP CA C 13 55.877 0.15 A 14 ASP CB C 13 40.879 0.15 A 14 ASP N N 15 119.433 0.15 A 15 LYS H H 1 7.898 0.05 A 15 LYS HA H 1 4.448 0.05 A 15 LYS HBx H 1 1.647 0.05 A 15 LYS HBy H 1 1.855 0.05 A 15 LYS HEx H 1 2.982 0.05 A 15 LYS HGy H 1 1.352 0.05 A 15 LYS HGx H 1 1.303 0.05 A 15 LYS C C 13 175.094 0.15 A 15 LYS CA C 13 55.647 0.15 A 15 LYS CB C 13 32.563 0.15 A 15 LYS CE C 13 42.211 0.15 A 15 LYS CG C 13 24.771 0.15 A 15 LYS N N 15 119.751 0.15 A 16 VAL H H 1 7.977 0.05 A 16 VAL HA H 1 3.990 0.05 A 16 VAL HB H 1 1.937 0.05 A 16 VAL HGx% H 1 0.627 0.05 A 16 VAL HGy% H 1 0.563 0.05 A 16 VAL C C 13 173.871 0.15 A 16 VAL CA C 13 61.261 0.15 A 16 VAL CB C 13 33.377 0.15 A 16 VAL CGx C 13 20.947 0.15 A 16 VAL CGy C 13 21.787 0.15 A 16 VAL N N 15 122.186 0.15 A 17 ASP H H 1 7.749 0.05 A 17 ASP HA H 1 5.082 0.05 A 17 ASP HBy H 1 2.741 0.05 A 17 ASP HBx H 1 2.354 0.05 A 17 ASP C C 13 176.746 0.15 A 17 ASP CA C 13 54.120 0.15 A 17 ASP CB C 13 42.721 0.15 A 17 ASP N N 15 122.699 0.15 A 18 TRP H H 1 9.513 0.05 A 18 TRP HA H 1 5.604 0.05 A 18 TRP HBx H 1 3.181 0.05 A 18 TRP HBy H 1 3.698 0.05 A 18 TRP HD1 H 1 7.375 0.05 A 18 TRP HE1 H 1 10.211 0.05 A 18 TRP HE3 H 1 7.545 0.05 A 18 TRP HH2 H 1 6.763 0.05 A 18 TRP HZ2 H 1 7.404 0.05 A 18 TRP HZ3 H 1 6.433 0.05 A 18 TRP C C 13 176.365 0.15 A 18 TRP CA C 13 57.700 0.15 A 18 TRP CB C 13 34.107 0.15 A 18 TRP CD1 C 13 128.371 0.15 A 18 TRP CE3 C 13 120.260 0.15 A 18 TRP CH2 C 13 124.251 0.15 A 18 TRP CZ2 C 13 114.322 0.15 A 18 TRP CZ3 C 13 121.498 0.15 A 18 TRP N N 15 123.857 0.15 A 18 TRP NE1 N 15 130.620 0.15 A 19 VAL H H 1 10.238 0.05 A 19 VAL HA H 1 4.670 0.05 A 19 VAL HB H 1 1.898 0.05 A 19 VAL HGx% H 1 0.874 0.05 A 19 VAL HGy% H 1 0.516 0.05 A 19 VAL CA C 13 61.089 0.15 A 19 VAL CB C 13 35.518 0.15 A 19 VAL CGy C 13 22.326 0.15 A 19 VAL CGx C 13 19.585 0.15 A 19 VAL N N 15 121.049 0.15 A 20 GLN H H 1 8.584 0.05 A 20 GLN HA H 1 4.635 0.05 A 20 GLN HBy H 1 1.183 0.05 A 20 GLN HBx H 1 -0.783 0.05 A 20 GLN HE2x H 1 6.608 0.05 A 20 GLN HE2y H 1 6.952 0.05 A 20 GLN HGx H 1 0.637 0.05 A 20 GLN HGy H 1 1.988 0.05 A 20 GLN C C 13 175.662 0.15 A 20 GLN CA C 13 53.063 0.15 A 20 GLN CB C 13 29.098 0.15 A 20 GLN CG C 13 32.703 0.15 A 20 GLN N N 15 130.340 0.15 A 20 GLN NE2 N 15 109.906 0.15 A 21 CYS H H 1 8.740 0.05 A 21 CYS HA H 1 4.588 0.05 A 21 CYS HBy H 1 3.475 0.05 A 21 CYS HBx H 1 3.085 0.05 A 21 CYS CA C 13 60.617 0.15 A 21 CYS CB C 13 31.913 0.15 A 21 CYS N N 15 126.319 0.15 A 22 ASP H H 1 9.742 0.05 A 22 ASP HA H 1 5.079 0.05 A 22 ASP HBx H 1 2.413 0.05 A 22 ASP HBy H 1 2.840 0.05 A 22 ASP C C 13 178.015 0.15 A 22 ASP CA C 13 55.185 0.15 A 22 ASP CB C 13 42.664 0.15 A 22 ASP N N 15 130.603 0.15 A 23 GLY H H 1 10.762 0.05 A 23 GLY HAy H 1 4.156 0.05 A 23 GLY HAx H 1 3.536 0.05 A 23 GLY C C 13 173.898 0.15 A 23 GLY CA C 13 45.351 0.15 A 23 GLY N N 15 116.158 0.15 A 24 GLY H H 1 8.904 0.05 A 24 GLY HAx H 1 3.499 0.05 A 24 GLY HAy H 1 4.740 0.05 A 24 GLY C C 13 175.291 0.15 A 24 GLY CA C 13 45.209 0.15 A 24 GLY N N 15 109.769 0.15 A 25 CYS H H 1 7.639 0.05 A 25 CYS HA H 1 4.465 0.05 A 25 CYS HBy H 1 3.230 0.05 A 25 CYS HBx H 1 2.676 0.05 A 25 CYS C C 13 175.738 0.15 A 25 CYS CA C 13 60.097 0.15 A 25 CYS CB C 13 30.248 0.15 A 25 CYS N N 15 119.776 0.15 A 26 ASP H H 1 8.209 0.05 A 26 ASP HA H 1 4.283 0.05 A 26 ASP HBx H 1 2.937 0.05 A 26 ASP C C 13 175.280 0.15 A 26 ASP CA C 13 56.107 0.15 A 26 ASP CB C 13 39.958 0.15 A 26 ASP N N 15 117.501 0.15 A 27 GLU H H 1 9.023 0.05 A 27 GLU HA H 1 4.372 0.05 A 27 GLU HBx H 1 1.624 0.05 A 27 GLU HBy H 1 2.365 0.05 A 27 GLU HGx H 1 2.209 0.05 A 27 GLU HGy H 1 2.450 0.05 A 27 GLU C C 13 174.686 0.15 A 27 GLU CA C 13 58.185 0.15 A 27 GLU CB C 13 30.552 0.15 A 27 GLU CG C 13 37.165 0.15 A 27 GLU N N 15 123.133 0.15 A 28 TRP H H 1 8.452 0.05 A 28 TRP HA H 1 4.967 0.05 A 28 TRP HB2 H 1 2.847 0.05 A 28 TRP HB3 H 1 3.218 0.05 A 28 TRP HD1 H 1 7.256 0.05 A 28 TRP HE1 H 1 10.020 0.05 A 28 TRP HE3 H 1 7.450 0.05 A 28 TRP HH2 H 1 7.087 0.05 A 28 TRP HZ2 H 1 7.271 0.05 A 28 TRP HZ3 H 1 6.894 0.05 A 28 TRP C C 13 175.501 0.15 A 28 TRP CA C 13 57.211 0.15 A 28 TRP CB C 13 31.524 0.15 A 28 TRP CD1 C 13 127.331 0.15 A 28 TRP CE3 C 13 119.211 0.15 A 28 TRP CH2 C 13 124.539 0.15 A 28 TRP CZ2 C 13 115.251 0.15 A 28 TRP CZ3 C 13 121.619 0.15 A 28 TRP N N 15 118.126 0.15 A 28 TRP NE1 N 15 129.956 0.15 A 29 PHE H H 1 9.699 0.05 A 29 PHE HA H 1 4.994 0.05 A 29 PHE HBx H 1 2.655 0.05 A 29 PHE HBy H 1 2.943 0.05 A 29 PHE HD2 H 1 7.240 0.05 A 29 PHE HE1 H 1 7.574 0.05 A 29 PHE HZ H 1 7.215 0.05 A 29 PHE C C 13 176.176 0.15 A 29 PHE CA C 13 56.712 0.15 A 29 PHE CB C 13 43.056 0.15 A 29 PHE CD2 C 13 132.950 0.15 A 29 PHE CE1 C 13 130.260 0.15 A 29 PHE CZ C 13 131.363 0.15 A 29 PHE N N 15 119.283 0.15 A 30 HIS H H 1 9.676 0.05 A 30 HIS HA H 1 4.400 0.05 A 30 HIS HBx H 1 2.985 0.05 A 30 HIS HBy H 1 4.383 0.05 A 30 HIS HD2 H 1 7.467 0.05 A 30 HIS HE1 H 1 7.691 0.05 A 30 HIS C C 13 177.509 0.15 A 30 HIS CA C 13 56.723 0.15 A 30 HIS CB C 13 29.686 0.15 A 30 HIS CE1 C 13 138.237 0.15 A 30 HIS N N 15 124.436 0.15 A 31 GLN H H 1 8.537 0.05 A 31 GLN HA H 1 3.486 0.05 A 31 GLN HBx H 1 1.647 0.05 A 31 GLN HBy H 1 2.465 0.05 A 31 GLN HE2y H 1 6.852 0.05 A 31 GLN HE2x H 1 6.792 0.05 A 31 GLN HGx H 1 1.721 0.05 A 31 GLN HGy H 1 1.874 0.05 A 31 GLN C C 13 179.005 0.15 A 31 GLN CA C 13 60.606 0.15 A 31 GLN CB C 13 26.624 0.15 A 31 GLN CG C 13 35.145 0.15 A 31 GLN N N 15 124.297 0.15 A 31 GLN NE2 N 15 107.644 0.15 A 32 VAL H H 1 8.688 0.05 A 32 VAL HA H 1 4.060 0.05 A 32 VAL HB H 1 2.132 0.05 A 32 VAL HGx% H 1 0.983 0.05 A 32 VAL HGy% H 1 0.958 0.05 A 32 VAL C C 13 178.001 0.15 A 32 VAL CA C 13 64.333 0.15 A 32 VAL CB C 13 31.703 0.15 A 32 VAL CGx C 13 20.748 0.15 A 32 VAL CGy C 13 20.897 0.15 A 32 VAL N N 15 113.575 0.15 A 33 CYS H H 1 6.893 0.05 A 33 CYS HA H 1 4.151 0.05 A 33 CYS HBx H 1 3.084 0.05 A 33 CYS HBy H 1 3.163 0.05 A 33 CYS C C 13 177.137 0.15 A 33 CYS CA C 13 62.650 0.15 A 33 CYS CB C 13 29.399 0.15 A 33 CYS N N 15 120.368 0.15 A 34 VAL H H 1 7.137 0.05 A 34 VAL HA H 1 4.564 0.05 A 34 VAL HB H 1 2.401 0.05 A 34 VAL HGx% H 1 0.316 0.05 A 34 VAL HGy% H 1 0.713 0.05 A 34 VAL C C 13 175.969 0.15 A 34 VAL CA C 13 60.138 0.15 A 34 VAL CB C 13 31.887 0.15 A 34 VAL CGx C 13 17.731 0.15 A 34 VAL CGy C 13 22.948 0.15 A 34 VAL N N 15 106.615 0.15 A 35 GLY H H 1 7.506 0.05 A 35 GLY HAx H 1 3.864 0.05 A 35 GLY HAy H 1 3.940 0.05 A 35 GLY C C 13 174.670 0.15 A 35 GLY CA C 13 47.029 0.15 A 35 GLY N N 15 110.034 0.15 A 36 VAL H H 1 7.621 0.05 A 36 VAL HA H 1 4.300 0.05 A 36 VAL HB H 1 1.577 0.05 A 36 VAL HGx% H 1 0.793 0.05 A 36 VAL HGy% H 1 0.644 0.05 A 36 VAL C C 13 174.260 0.15 A 36 VAL CA C 13 61.084 0.15 A 36 VAL CB C 13 34.059 0.15 A 36 VAL CGx C 13 21.587 0.15 A 36 VAL CGy C 13 22.401 0.15 A 36 VAL N N 15 119.403 0.15 A 37 SER H H 1 8.007 0.05 A 37 SER HA H 1 4.861 0.05 A 37 SER HBy H 1 4.283 0.05 A 37 SER HBx H 1 3.917 0.05 A 37 SER CA C 13 55.564 0.15 A 37 SER CB C 13 63.789 0.15 A 37 SER N N 15 122.814 0.15 A 38 PRO HA H 1 4.337 0.05 A 38 PRO HBx H 1 1.924 0.05 A 38 PRO HBy H 1 2.423 0.05 A 38 PRO HDx H 1 3.862 0.05 A 38 PRO HDy H 1 3.922 0.05 A 38 PRO HGx H 1 2.128 0.05 A 38 PRO C C 13 179.162 0.15 A 38 PRO CA C 13 65.551 0.15 A 38 PRO CB C 13 31.882 0.15 A 38 PRO CD C 13 50.452 0.15 A 38 PRO CG C 13 27.942 0.15 A 39 GLU H H 1 8.520 0.05 A 39 GLU HA H 1 4.126 0.05 A 39 GLU HBy H 1 2.001 0.05 A 39 GLU HBx H 1 1.967 0.05 A 39 GLU HGx H 1 2.276 0.05 A 39 GLU HGy H 1 2.336 0.05 A 39 GLU C C 13 178.588 0.15 A 39 GLU CA C 13 59.321 0.15 A 39 GLU CB C 13 29.016 0.15 A 39 GLU CG C 13 36.731 0.15 A 39 GLU N N 15 116.621 0.15 A 40 MET H H 1 7.707 0.05 A 40 MET HA H 1 4.169 0.05 A 40 MET HBx H 1 2.177 0.05 A 40 MET HBy H 1 2.229 0.05 A 40 MET HE% H 1 2.185 0.05 A 40 MET HGx H 1 2.578 0.05 A 40 MET C C 13 177.937 0.15 A 40 MET CA C 13 58.076 0.15 A 40 MET CB C 13 33.752 0.15 A 40 MET CE C 13 17.064 0.15 A 40 MET CG C 13 32.084 0.15 A 40 MET N N 15 120.129 0.15 A 41 ALA H H 1 8.214 0.05 A 41 ALA HA H 1 4.148 0.05 A 41 ALA HB% H 1 1.375 0.05 A 41 ALA C C 13 179.237 0.15 A 41 ALA CA C 13 54.188 0.15 A 41 ALA CB C 13 18.596 0.15 A 41 ALA N N 15 121.551 0.15 A 42 GLU H H 1 7.823 0.05 A 42 GLU HA H 1 4.377 0.05 A 42 GLU HBx H 1 2.112 0.05 A 42 GLU HGx H 1 2.423 0.05 A 42 GLU C C 13 177.669 0.15 A 42 GLU CA C 13 57.775 0.15 A 42 GLU CB C 13 30.495 0.15 A 42 GLU CG C 13 36.860 0.15 A 42 GLU N N 15 115.185 0.15 A 43 ASN H H 1 7.817 0.05 A 43 ASN HA H 1 4.845 0.05 A 43 ASN HBy H 1 2.858 0.05 A 43 ASN HBx H 1 2.826 0.05 A 43 ASN HD2x H 1 7.066 0.05 A 43 ASN HD2y H 1 7.783 0.05 A 43 ASN C C 13 174.634 0.15 A 43 ASN CA C 13 54.343 0.15 A 43 ASN CB C 13 40.910 0.15 A 43 ASN N N 15 115.082 0.15 A 43 ASN ND2 N 15 114.451 0.15 A 44 GLU H H 1 8.140 0.05 A 44 GLU HA H 1 4.572 0.05 A 44 GLU HBy H 1 2.078 0.05 A 44 GLU HBx H 1 1.927 0.05 A 44 GLU HGx H 1 2.248 0.05 A 44 GLU C C 13 172.191 0.15 A 44 GLU CA C 13 55.221 0.15 A 44 GLU CB C 13 32.235 0.15 A 44 GLU CG C 13 36.268 0.15 A 44 GLU N N 15 119.186 0.15 A 45 ASP H H 1 8.392 0.05 A 45 ASP HA H 1 5.044 0.05 A 45 ASP HBx H 1 2.378 0.05 A 45 ASP HBy H 1 2.806 0.05 A 45 ASP CA C 13 53.829 0.15 A 45 ASP CB C 13 41.271 0.15 A 45 ASP N N 15 121.008 0.15 A 46 TYR H H 1 9.307 0.05 A 46 TYR HA H 1 4.508 0.05 A 46 TYR HBx H 1 2.898 0.05 A 46 TYR HBy H 1 2.900 0.05 A 46 TYR HD1 H 1 6.713 0.05 A 46 TYR HE1 H 1 6.084 0.05 A 46 TYR C C 13 172.490 0.15 A 46 TYR CA C 13 58.416 0.15 A 46 TYR CB C 13 39.842 0.15 A 46 TYR CD1 C 13 132.441 0.15 A 46 TYR CE1 C 13 117.355 0.15 A 46 TYR N N 15 124.739 0.15 A 47 ILE H H 1 7.204 0.05 A 47 ILE HA H 1 4.464 0.05 A 47 ILE HB H 1 1.561 0.05 A 47 ILE HD1% H 1 0.645 0.05 A 47 ILE HG1x H 1 1.034 0.05 A 47 ILE HG1y H 1 1.275 0.05 A 47 ILE HG2% H 1 0.694 0.05 A 47 ILE C C 13 174.754 0.15 A 47 ILE CA C 13 58.308 0.15 A 47 ILE CB C 13 37.997 0.15 A 47 ILE CD1 C 13 11.159 0.15 A 47 ILE CG1 C 13 26.699 0.15 A 47 ILE CG2 C 13 17.575 0.15 A 47 ILE N N 15 128.235 0.15 A 48 CYS H H 1 9.441 0.05 A 48 CYS HA H 1 4.132 0.05 A 48 CYS HBx H 1 2.570 0.05 A 48 CYS HBy H 1 3.242 0.05 A 48 CYS C C 13 175.259 0.15 A 48 CYS CA C 13 58.247 0.15 A 48 CYS CB C 13 32.230 0.15 A 48 CYS N N 15 131.299 0.15 A 49 ILE H H 1 7.753 0.05 A 49 ILE HA H 1 3.968 0.05 A 49 ILE HB H 1 1.902 0.05 A 49 ILE HD1% H 1 0.938 0.05 A 49 ILE HG1y H 1 1.460 0.05 A 49 ILE HG1x H 1 1.287 0.05 A 49 ILE HG2% H 1 0.989 0.05 A 49 ILE C C 13 177.248 0.15 A 49 ILE CA C 13 63.078 0.15 A 49 ILE CB C 13 38.535 0.15 A 49 ILE CD1 C 13 14.114 0.15 A 49 ILE CG1 C 13 27.487 0.15 A 49 ILE CG2 C 13 17.550 0.15 A 49 ILE N N 15 113.316 0.15 A 50 ASN H H 1 8.884 0.05 A 50 ASN HA H 1 4.729 0.05 A 50 ASN HBx H 1 2.862 0.05 A 50 ASN HBy H 1 3.018 0.05 A 50 ASN HD2x H 1 7.101 0.05 A 50 ASN HD2y H 1 8.278 0.05 A 50 ASN C C 13 176.793 0.15 A 50 ASN CA C 13 55.405 0.15 A 50 ASN CB C 13 39.719 0.15 A 50 ASN N N 15 121.756 0.15 A 50 ASN ND2 N 15 116.325 0.15 A 51 CYS H H 1 8.179 0.05 A 51 CYS HA H 1 4.121 0.05 A 51 CYS HBx H 1 2.684 0.05 A 51 CYS HBy H 1 2.958 0.05 A 51 CYS C C 13 174.880 0.15 A 51 CYS CA C 13 61.889 0.15 A 51 CYS CB C 13 31.444 0.15 A 51 CYS N N 15 123.907 0.15 A 52 ALA H H 1 7.298 0.05 A 52 ALA HA H 1 3.802 0.05 A 52 ALA HB% H 1 1.230 0.05 A 52 ALA CA C 13 54.764 0.15 A 52 ALA CB C 13 19.278 0.15 A 52 ALA N N 15 128.056 0.15 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 VAL HA A 2 VAL HB 1.0 0.0 4.54 2 2 A 2 VAL HA A 2 VAL HGx% 1.0 0.0 3.88 3 3 A 2 VAL HA A 2 VAL HGy% 1.0 0.0 4.31 4 4 A 2 VAL HA A 30 HIS HE1 1.0 0.0 4.92 5 5 A 2 VAL HA A 3 CYS H 1.0 0.0 3.95 6 6 A 2 VAL HB A 2 VAL HGx% 1.0 0.0 3.49 7 7 A 2 VAL HB A 3 CYS H 1.0 0.0 5.03 8 8 A 2 VAL HGx% A 10 ARG HDx 1.0 0.0 4.88 9 9 A 2 VAL HGx% A 3 CYS H 1.0 0.0 4.44 10 10 A 2 VAL HGx% A 8 CYS HBy 1.0 0.0 5.09 11 11 A 2 VAL HGx% A 8 CYS HBx 1.0 0.0 4.44 12 12 A 2 VAL HGy% A 10 ARG HDx 1.0 0.0 4.76 13 13 A 2 VAL HB A 2 VAL HGy% 1.0 0.0 3.76 14 14 A 2 VAL HB A 2 VAL H 1.0 0.0 5.50 15 15 A 3 CYS HA A 18 TRP HH2 1.0 0.0 5.50 16 16 A 3 CYS HA A 18 TRP HZ3 1.0 0.0 5.50 17 17 A 3 CYS HA A 3 CYS HBx 1.0 0.0 4.76 18 18 A 3 CYS HA A 4 ALA H 1.0 0.0 4.32 19 19 A 3 CYS HBy A 30 HIS H 1.0 0.0 5.05 20 20 A 3 CYS HBx A 3 CYS HBy 1.0 0.0 4.27 21 21 A 4 ALA H A 3 CYS HBy 1.0 0.0 5.15 22 22 A 3 CYS HBx A 30 HIS H 1.0 0.0 4.60 23 23 A 3 CYS HBx A 4 ALA H 1.0 0.0 5.50 24 24 A 30 HIS HE1 A 3 CYS H 1.0 0.0 5.50 25 25 A 3 CYS H A 3 CYS HBy 1.0 0.0 5.50 26 26 A 3 CYS H A 3 CYS HBx 1.0 0.0 5.50 27 27 A 3 CYS H A 8 CYS HBy 1.0 0.0 5.46 28 28 A 3 CYS H A 8 CYS HBx 1.0 0.0 5.50 29 29 A 4 ALA HA A 4 ALA HB% 1.0 0.0 3.33 30 30 A 4 ALA HA A 5 ALA H 1.0 0.0 5.22 31 31 A 4 ALA HB% A 27 GLU HA 1.0 0.0 5.24 32 32 A 4 ALA HB% A 27 GLU HBy 1.0 0.0 4.12 33 33 A 4 ALA HB% A 27 GLU HBx 1.0 0.0 3.66 34 34 A 4 ALA HB% A 27 GLU HGy 1.0 0.0 5.21 35 35 A 4 ALA HB% A 28 TRP H 1.0 0.0 5.07 36 36 A 4 ALA HB% A 29 PHE HZ 1.0 0.0 4.05 37 37 A 4 ALA HB% A 5 ALA H 1.0 0.0 4.78 38 38 A 4 ALA H A 4 ALA HA 1.0 0.0 4.54 39 39 A 4 ALA H A 4 ALA HB% 1.0 0.0 3.56 40 40 A 4 ALA H A 5 ALA H 1.0 0.0 4.95 41 41 A 5 ALA HA A 29 PHE HD% 1.0 0.0 3.81 42 42 A 5 ALA HA A 5 ALA HB% 1.0 0.0 3.24 43 43 A 5 ALA HA A 6 GLN H 1.0 0.0 3.62 44 44 A 5 ALA HB% A 29 PHE HA 1.0 0.0 4.50 45 45 A 5 ALA HB% A 29 PHE HBy 1.0 0.0 4.19 46 46 A 29 PHE HD% A 5 ALA HB% 1.0 0.0 4.76 47 47 A 5 ALA HB% A 33 CYS HA 1.0 0.0 5.22 48 48 A 5 ALA HB% A 33 CYS HBy 1.0 0.0 5.04 49 49 A 5 ALA HB% A 33 CYS HBx 1.0 0.0 4.54 50 50 A 5 ALA HB% A 34 VAL HGy% 1.0 0.0 3.59 51 51 A 5 ALA HB% A 34 VAL H 1.0 0.0 5.31 52 52 A 5 ALA HB% A 6 GLN H 1.0 0.0 4.43 53 53 A 5 ALA HB% A 7 ASN H 1.0 0.0 4.42 54 54 A 5 ALA HB% A 8 CYS HA 1.0 0.0 3.84 55 55 A 8 CYS HBy A 5 ALA HB% 1.0 0.0 4.81 56 56 A 8 CYS HBx A 5 ALA HB% 1.0 0.0 4.53 57 57 A 5 ALA HB% A 8 CYS H 1.0 0.0 4.69 58 58 A 5 ALA H A 29 PHE HD% 1.0 0.0 5.20 59 59 A 5 ALA H A 5 ALA HA 1.0 0.0 4.59 60 60 A 5 ALA H A 5 ALA HB% 1.0 0.0 3.45 61 61 A 6 GLN HA A 6 GLN HBy 1.0 0.0 3.80 62 62 A 6 GLN HA A 6 GLN HBx 1.0 0.0 3.31 63 63 A 6 GLN HA A 6 GLN HGx 1.0 0.0 4.50 64 64 A 7 ASN H A 6 GLN HA 1.0 0.0 4.38 65 65 A 7 ASN H A 6 GLN HBy 1.0 0.0 5.31 66 66 A 6 GLN HBx A 49 ILE HD1% 1.0 0.0 5.48 67 67 A 7 ASN H A 6 GLN HBx 1.0 0.0 4.36 68 68 A 49 ILE HD1% A 6 GLN HE2x 1.0 0.0 5.50 69 69 A 6 GLN HGx A 49 ILE HD1% 1.0 0.0 5.18 70 70 A 6 GLN HGx A 6 GLN HE2y 1.0 0.0 5.50 71 71 A 7 ASN H A 6 GLN HGx 1.0 0.0 5.50 72 72 A 6 GLN H A 6 GLN HA 1.0 0.0 4.56 73 73 A 6 GLN H A 6 GLN HBy 1.0 0.0 4.08 74 74 A 6 GLN H A 6 GLN HBx 1.0 0.0 4.59 75 75 A 6 GLN H A 6 GLN HGx 1.0 0.0 4.71 76 76 A 6 GLN H A 7 ASN H 1.0 0.0 4.78 77 77 A 7 ASN HA A 7 ASN HB2 1.0 0.0 3.68 78 78 A 7 ASN HB2 A 7 ASN HD2y 1.0 0.0 4.03 79 79 A 7 ASN HB2 A 7 ASN HD2x 1.0 0.0 5.06 80 80 A 7 ASN H A 7 ASN HB2 1.0 0.0 4.23 81 81 A 7 ASN H A 8 CYS H 1.0 0.0 4.89 82 82 A 33 CYS HBy A 8 CYS HA 1.0 0.0 4.78 83 83 A 33 CYS HBx A 8 CYS HA 1.0 0.0 4.14 84 84 A 8 CYS HBy A 8 CYS HA 1.0 0.0 4.10 85 85 A 8 CYS HBx A 8 CYS HA 1.0 0.0 4.00 86 86 A 8 CYS HA A 9 GLN H 1.0 0.0 3.29 87 87 A 8 CYS HBy A 8 CYS HBx 1.0 0.0 2.93 88 88 A 8 CYS HBy A 9 GLN H 1.0 0.0 5.50 89 89 A 8 CYS HBx A 9 GLN H 1.0 0.0 5.10 90 90 A 8 CYS HBy A 8 CYS H 1.0 0.0 4.38 91 91 A 8 CYS HBx A 8 CYS H 1.0 0.0 4.06 92 92 A 9 GLN HA A 10 ARG H 1.0 0.0 5.50 93 93 A 9 GLN HA A 9 GLN HBy 1.0 0.0 3.78 94 94 A 9 GLN HA A 9 GLN HBx 1.0 0.0 4.10 95 95 A 9 GLN HA A 9 GLN HGx 1.0 0.0 3.94 96 96 A 9 GLN HBy A 32 VAL HGx% 1.0 0.0 5.20 97 97 A 9 GLN HBy A 9 GLN HE2y 1.0 0.0 5.50 98 98 A 9 GLN HBy A 9 GLN HGx 1.0 0.0 3.55 99 99 A 9 GLN HBx A 11 PRO HDx 1.0 0.0 4.89 100 100 A 9 GLN HBx A 32 VAL HGx% 1.0 0.0 4.83 101 101 A 9 GLN HBy A 9 GLN HBx 1.0 0.0 2.93 102 102 A 9 GLN HBx A 9 GLN HGx 1.0 0.0 3.88 103 103 A 32 VAL HGx% A 9 GLN HE2x 1.0 0.0 4.56 104 104 A 9 GLN HE2x A 32 VAL HGy% 1.0 0.0 5.28 105 105 A 33 CYS HA A 9 GLN HE2x 1.0 0.0 5.10 106 106 A 9 GLN HE2y A 9 GLN HE2x 1.0 0.0 2.80 107 107 A 32 VAL HGx% A 9 GLN HE2y 1.0 0.0 5.50 108 108 A 33 CYS HA A 9 GLN HE2y 1.0 0.0 4.36 109 109 A 32 VAL HGy% A 9 GLN HGy 1.0 0.0 4.97 110 110 A 9 GLN HE2y A 9 GLN HGy 1.0 0.0 4.21 111 111 A 33 CYS HA A 9 GLN HGx 1.0 0.0 4.23 112 112 A 9 GLN HGx A 9 GLN HE2x 1.0 0.0 5.06 113 113 A 9 GLN HGx A 9 GLN HE2y 1.0 0.0 4.15 114 114 A 9 GLN H A 10 ARG H 1.0 0.0 4.37 115 115 A 33 CYS HA A 9 GLN H 1.0 0.0 5.46 116 116 A 33 CYS HBy A 9 GLN H 1.0 0.0 5.50 117 117 A 33 CYS HBx A 9 GLN H 1.0 0.0 5.36 118 118 A 9 GLN H A 9 GLN HA 1.0 0.0 4.52 119 119 A 9 GLN H A 9 GLN HBy 1.0 0.0 4.69 120 120 A 9 GLN H A 9 GLN HBx 1.0 0.0 4.29 121 121 A 9 GLN H A 9 GLN HGy 1.0 0.0 4.42 122 122 A 9 GLN H A 9 GLN HGx 1.0 0.0 4.28 123 123 A 10 ARG HA A 10 ARG HBy 1.0 0.0 4.88 124 124 A 10 ARG HA A 10 ARG HBx 1.0 0.0 4.16 125 125 A 10 ARG HDx A 10 ARG HA 1.0 0.0 5.42 126 126 A 10 ARG HA A 10 ARG HGy 1.0 0.0 4.86 127 127 A 11 PRO HDx A 10 ARG HA 1.0 0.0 4.11 128 128 A 10 ARG HDx A 10 ARG HBy 1.0 0.0 4.10 129 129 A 10 ARG HBy A 10 ARG HBx 1.0 0.0 3.60 130 130 A 10 ARG HDx A 10 ARG HBx 1.0 0.0 4.60 131 131 A 10 ARG HDx A 10 ARG HGx 1.0 0.0 4.22 132 132 A 10 ARG HDx A 10 ARG HGy 1.0 0.0 3.48 133 133 A 10 ARG H A 10 ARG HA 1.0 0.0 4.23 134 134 A 10 ARG H A 10 ARG HGy 1.0 0.0 5.24 135 135 A 10 ARG H A 11 PRO HDx 1.0 0.0 4.46 136 136 A 11 PRO HBy A 11 PRO HA 1.0 0.0 3.70 137 137 A 11 PRO HA A 11 PRO HBx 1.0 0.0 4.15 138 138 A 11 PRO HBy A 11 PRO HBx 1.0 0.0 3.25 139 139 A 11 PRO HDx A 11 PRO HBx 1.0 0.0 4.97 140 140 A 11 PRO HBx A 11 PRO HGx 1.0 0.0 4.97 141 141 A 11 PRO HBx A 16 VAL HGx% 1.0 0.0 4.72 142 142 A 30 HIS HE1 A 11 PRO HBx 1.0 0.0 5.50 143 143 A 11 PRO HDx A 11 PRO HA 1.0 0.0 4.78 144 144 A 11 PRO HDx A 11 PRO HBy 1.0 0.0 4.67 145 145 A 30 HIS HE1 A 11 PRO HDx 1.0 0.0 5.11 146 146 A 11 PRO HDx A 11 PRO HGx 1.0 0.0 4.32 147 147 A 11 PRO HA A 11 PRO HGy 1.0 0.0 4.78 148 148 A 11 PRO HBy A 11 PRO HGy 1.0 0.0 3.87 149 149 A 11 PRO HDx A 11 PRO HGy 1.0 0.0 3.92 150 150 A 30 HIS HE1 A 11 PRO HGy 1.0 0.0 5.50 151 151 A 12 CYS HA A 12 CYS HBy 1.0 0.0 4.20 152 152 A 12 CYS HA A 12 CYS HBx 1.0 0.0 3.40 153 153 A 12 CYS HA A 13 LYS H 1.0 0.0 5.50 154 154 A 13 LYS HA A 13 LYS HBy 1.0 0.0 4.05 155 155 A 13 LYS HA A 13 LYS HBx 1.0 0.0 4.19 156 156 A 13 LYS HA A 13 LYS HGx 1.0 0.0 4.67 157 157 A 13 LYS HA A 14 ASP H 1.0 0.0 5.04 158 158 A 16 VAL HGx% A 13 LYS HA 1.0 0.0 4.85 159 159 A 16 VAL HGx% A 13 LYS HBx 1.0 0.0 5.31 160 160 A 13 LYS HDx A 13 LYS HEx 1.0 0.0 3.76 161 161 A 13 LYS HGx A 13 LYS HDx 1.0 0.0 3.34 162 162 A 13 LYS HGx A 13 LYS HEx 1.0 0.0 4.10 163 163 A 13 LYS H A 13 LYS HGx 1.0 0.0 4.19 164 164 A 14 ASP HA A 14 ASP HBy 1.0 0.0 4.09 165 165 A 14 ASP HA A 14 ASP HBx 1.0 0.0 3.70 166 166 A 14 ASP HA A 15 LYS H 1.0 0.0 4.53 167 167 A 14 ASP HBy A 15 LYS H 1.0 0.0 5.19 168 168 A 14 ASP HBx A 15 LYS H 1.0 0.0 4.92 169 169 A 14 ASP H A 14 ASP HBy 1.0 0.0 5.50 170 170 A 14 ASP H A 14 ASP HBx 1.0 0.0 5.50 171 171 A 14 ASP H A 15 LYS H 1.0 0.0 5.50 172 172 A 15 LYS HA A 15 LYS HBy 1.0 0.0 4.61 173 173 A 15 LYS HA A 15 LYS HBx 1.0 0.0 4.53 174 174 A 15 LYS HA A 15 LYS HGy 1.0 0.0 4.90 175 175 A 15 LYS HA A 16 VAL H 1.0 0.0 3.97 176 176 A 15 LYS H A 15 LYS HBy 1.0 0.0 5.02 177 177 A 15 LYS H A 15 LYS HBx 1.0 0.0 4.84 178 178 A 15 LYS H A 15 LYS HGy 1.0 0.0 5.50 179 179 A 16 VAL HA A 16 VAL HB 1.0 0.0 4.41 180 180 A 16 VAL HGx% A 16 VAL HA 1.0 0.0 4.16 181 181 A 16 VAL HA A 16 VAL HGy% 1.0 0.0 4.63 182 182 A 16 VAL HA A 17 ASP H 1.0 0.0 3.67 183 183 A 16 VAL HB A 16 VAL HGy% 1.0 0.0 3.93 184 184 A 16 VAL HB A 17 ASP H 1.0 0.0 5.05 185 185 A 16 VAL HB A 18 TRP HE1 1.0 0.0 5.46 186 186 A 16 VAL HGx% A 16 VAL HB 1.0 0.0 3.71 187 187 A 16 VAL HGx% A 17 ASP H 1.0 0.0 4.77 188 188 A 16 VAL HGx% A 18 TRP HZ2 1.0 0.0 5.20 189 189 A 16 VAL HGy% A 17 ASP H 1.0 0.0 5.16 190 190 A 16 VAL HGy% A 18 TRP HD1 1.0 0.0 5.36 191 191 A 16 VAL HGy% A 18 TRP HE1 1.0 0.0 4.53 192 192 A 16 VAL HGy% A 31 GLN HE2y 1.0 0.0 5.50 193 193 A 16 VAL HGy% A 31 GLN HE2x 1.0 0.0 5.50 194 194 A 16 VAL H A 16 VAL HA 1.0 0.0 4.82 195 195 A 16 VAL H A 16 VAL HB 1.0 0.0 4.51 196 196 A 16 VAL HGx% A 16 VAL H 1.0 0.0 4.43 197 197 A 17 ASP HA A 17 ASP HBy 1.0 0.0 4.16 198 198 A 18 TRP HE1 A 17 ASP HA 1.0 0.0 5.50 199 199 A 17 ASP HA A 18 TRP H 1.0 0.0 4.20 200 200 A 17 ASP HBy A 17 ASP HBx 1.0 0.0 3.18 201 201 A 17 ASP HBy A 18 TRP H 1.0 0.0 5.07 202 202 A 31 GLN HE2y A 17 ASP HBy 1.0 0.0 4.53 203 203 A 31 GLN HE2x A 17 ASP HBy 1.0 0.0 5.37 204 204 A 17 ASP H A 17 ASP HA 1.0 0.0 5.02 205 205 A 17 ASP H A 17 ASP HBx 1.0 0.0 4.81 206 206 A 17 ASP H A 17 ASP HBy 1.0 0.0 5.19 207 207 A 18 TRP HA A 18 TRP HBy 1.0 0.0 4.24 208 208 A 18 TRP HA A 18 TRP HBx 1.0 0.0 4.50 209 209 A 18 TRP HA A 18 TRP HE3 1.0 0.0 5.00 210 210 A 18 TRP HA A 19 VAL H 1.0 0.0 3.54 211 211 A 18 TRP HA A 30 HIS HA 1.0 0.0 4.01 212 212 A 18 TRP HA A 31 GLN HGy 1.0 0.0 4.61 213 213 A 18 TRP HA A 31 GLN HGx 1.0 0.0 5.50 214 214 A 18 TRP HA A 31 GLN H 1.0 0.0 4.57 215 215 A 18 TRP HBy A 18 TRP HBx 1.0 0.0 3.33 216 216 A 18 TRP HE1 A 18 TRP HBy 1.0 0.0 5.50 217 217 A 18 TRP HBy A 18 TRP HE3 1.0 0.0 5.50 218 218 A 18 TRP HBy A 19 VAL H 1.0 0.0 4.67 219 219 A 18 TRP HBy A 28 TRP HE3 1.0 0.0 4.13 220 220 A 18 TRP HBy A 28 TRP HZ3 1.0 0.0 5.24 221 221 A 18 TRP HBx A 19 VAL H 1.0 0.0 5.14 222 222 A 18 TRP HBx A 28 TRP HE3 1.0 0.0 4.36 223 223 A 18 TRP HBx A 28 TRP HZ3 1.0 0.0 5.14 224 224 A 18 TRP HE1 A 18 TRP HD1 1.0 0.0 3.54 225 225 A 18 TRP HE1 A 18 TRP HZ2 1.0 0.0 5.50 226 226 A 18 TRP HE3 A 28 TRP HB3 1.0 0.0 4.11 227 227 A 18 TRP HE3 A 29 PHE H 1.0 0.0 5.50 228 228 A 30 HIS H A 18 TRP HE3 1.0 0.0 5.44 229 229 A 18 TRP HH2 A 18 TRP HZ3 1.0 0.0 5.50 230 230 A 18 TRP H A 18 TRP HA 1.0 0.0 5.16 231 231 A 18 TRP H A 18 TRP HBx 1.0 0.0 4.65 232 232 A 18 TRP HD1 A 18 TRP H 1.0 0.0 5.50 233 233 A 18 TRP HH2 A 18 TRP HZ2 1.0 0.0 5.03 234 234 A 18 TRP HZ3 A 18 TRP HE3 1.0 0.0 5.50 235 235 A 18 TRP HZ3 A 28 TRP HB3 1.0 0.0 5.35 236 236 A 18 TRP HZ3 A 30 HIS H 1.0 0.0 5.50 237 237 A 19 VAL HA A 19 VAL HB 1.0 0.0 3.85 238 238 A 19 VAL HA A 19 VAL HGx% 1.0 0.0 4.32 239 239 A 19 VAL HA A 19 VAL HGy% 1.0 0.0 4.47 240 240 A 19 VAL HB A 19 VAL HGy% 1.0 0.0 3.39 241 241 A 19 VAL HB A 41 ALA HB% 1.0 0.0 5.33 242 242 A 19 VAL HB A 19 VAL HGx% 1.0 0.0 3.70 243 243 A 19 VAL HGx% A 46 TYR HBx 1.0 0.0 4.61 244 244 A 19 VAL HGx% A 46 TYR HD% 1.0 0.0 5.32 245 245 A 29 PHE HBy A 19 VAL HGy% 1.0 0.0 4.25 246 246 A 19 VAL HGy% A 29 PHE HBx 1.0 0.0 3.97 247 247 A 29 PHE H A 19 VAL HGy% 1.0 0.0 5.50 248 248 A 29 PHE HD% A 19 VAL HGy% 1.0 0.0 5.20 249 249 A 30 HIS H A 19 VAL HGy% 1.0 0.0 5.22 250 250 A 19 VAL HGy% A 31 GLN HA 1.0 0.0 3.88 251 251 A 31 GLN HGx A 19 VAL HGy% 1.0 0.0 4.28 252 252 A 31 GLN H A 19 VAL HGy% 1.0 0.0 5.05 253 253 A 19 VAL HGy% A 46 TYR HD% 1.0 0.0 4.79 254 254 A 19 VAL H A 19 VAL HA 1.0 0.0 4.72 255 255 A 19 VAL H A 19 VAL HB 1.0 0.0 4.91 256 256 A 19 VAL H A 19 VAL HGx% 1.0 0.0 5.50 257 257 A 19 VAL H A 19 VAL HGy% 1.0 0.0 3.89 258 258 A 19 VAL H A 28 TRP HE3 1.0 0.0 5.18 259 259 A 19 VAL H A 29 PHE HBx 1.0 0.0 5.50 260 260 A 19 VAL H A 29 PHE H 1.0 0.0 4.97 261 261 A 19 VAL H A 29 PHE O 1.0 0.0 2.40 262 262 A 19 VAL H A 30 HIS HA 1.0 0.0 5.50 263 263 A 29 PHE H A 19 VAL O 1.0 0.0 2.40 264 264 A 20 GLN HA A 20 GLN HGx 1.0 0.0 4.61 265 265 A 20 GLN HA A 21 CYS H 1.0 0.0 4.17 266 266 A 20 GLN HA A 28 TRP HA 1.0 0.0 4.03 267 267 A 28 TRP HE3 A 20 GLN HA 1.0 0.0 5.50 268 268 A 29 PHE H A 20 GLN HA 1.0 0.0 5.41 269 269 A 20 GLN HBx A 20 GLN HGy 1.0 0.0 5.30 270 270 A 20 GLN HGx A 20 GLN HBx 1.0 0.0 4.88 271 271 A 20 GLN HBx A 20 GLN HBy 1.0 0.0 4.46 272 272 A 20 GLN HGx A 20 GLN HBy 1.0 0.0 5.16 273 273 A 20 GLN HE2x A 26 ASP HA 1.0 0.0 5.46 274 274 A 20 GLN HE2x A 26 ASP HBx 1.0 0.0 4.71 275 275 A 20 GLN HE2x A 28 TRP HE1 1.0 0.0 5.33 276 276 A 20 GLN HE2x A 20 GLN HE2y 1.0 0.0 3.15 277 277 A 26 ASP HA A 20 GLN HE2y 1.0 0.0 4.76 278 278 A 26 ASP HBx A 20 GLN HE2y 1.0 0.0 4.59 279 279 A 28 TRP HE1 A 20 GLN HE2y 1.0 0.0 5.13 280 280 A 20 GLN HGy A 20 GLN HE2x 1.0 0.0 5.44 281 281 A 20 GLN HGy A 20 GLN HE2y 1.0 0.0 5.25 282 282 A 20 GLN HGx A 20 GLN HGy 1.0 0.0 3.56 283 283 A 21 CYS H A 20 GLN HGy 1.0 0.0 5.49 284 284 A 20 GLN HGy A 26 ASP HA 1.0 0.0 4.72 285 285 A 20 GLN HGx A 20 GLN HE2x 1.0 0.0 4.95 286 286 A 20 GLN HGx A 20 GLN HE2y 1.0 0.0 4.72 287 287 A 20 GLN HGx A 21 CYS H 1.0 0.0 5.47 288 288 A 20 GLN HGx A 26 ASP HA 1.0 0.0 5.18 289 289 A 20 GLN HGx A 28 TRP HE1 1.0 0.0 5.50 290 290 A 21 CYS HA A 22 ASP H 1.0 0.0 3.93 291 291 A 21 CYS HBx A 29 PHE HE% 1.0 0.0 5.45 292 292 A 29 PHE HZ A 21 CYS HBx 1.0 0.0 3.72 293 293 A 46 TYR HD% A 21 CYS HBx 1.0 0.0 4.90 294 294 A 21 CYS HBx A 48 CYS H 1.0 0.0 5.07 295 295 A 21 CYS HBx A 21 CYS HBy 1.0 0.0 3.07 296 296 A 21 CYS HBy A 27 GLU H 1.0 0.0 5.33 297 297 A 29 PHE HZ A 21 CYS HBy 1.0 0.0 4.23 298 298 A 48 CYS H A 21 CYS HBy 1.0 0.0 5.50 299 299 A 21 CYS H A 21 CYS HBx 1.0 0.0 4.20 300 300 A 21 CYS H A 21 CYS HBy 1.0 0.0 4.15 301 301 A 29 PHE HD% A 21 CYS H 1.0 0.0 5.44 302 302 A 22 ASP HA A 22 ASP HBx 1.0 0.0 5.50 303 303 A 22 ASP HA A 23 GLY H 1.0 0.0 5.39 304 304 A 22 ASP H A 22 ASP HBy 1.0 0.0 5.02 305 305 A 22 ASP H A 22 ASP HBx 1.0 0.0 4.54 306 306 A 22 ASP H A 23 GLY H 1.0 0.0 4.68 307 307 A 46 TYR HD% A 22 ASP H 1.0 0.0 5.49 308 308 A 22 ASP H A 47 ILE HD1% 1.0 0.0 5.41 309 309 A 23 GLY HAx A 23 GLY HAy 1.0 0.0 3.04 310 310 A 23 GLY HAx A 24 GLY H 1.0 0.0 3.94 311 311 A 23 GLY HAx A 24 GLY H 1.0 0.0 5.29 312 312 A 47 ILE HD1% A 23 GLY HAx 1.0 0.0 4.11 313 313 A 47 ILE HD1% A 23 GLY HAx 1.0 0.0 4.30 314 314 A 23 GLY HAx A 47 ILE HG2% 1.0 0.0 3.91 315 315 A 23 GLY HAx A 47 ILE HG2% 1.0 0.0 4.03 316 316 A 23 GLY HAx A 51 CYS HBy 1.0 0.0 3.76 317 317 A 23 GLY HAx A 51 CYS HBy 1.0 0.0 4.74 318 318 A 23 GLY HAx A 51 CYS HBx 1.0 0.0 4.34 319 319 A 23 GLY H A 23 GLY HAx 1.0 0.0 4.05 320 320 A 23 GLY H A 23 GLY HAx 1.0 0.0 4.33 321 321 A 23 GLY H A 24 GLY H 1.0 0.0 4.61 322 322 A 23 GLY H A 47 ILE HA 1.0 0.0 5.42 323 323 A 23 GLY H A 47 ILE HD1% 1.0 0.0 4.70 324 324 A 23 GLY H A 47 ILE HG2% 1.0 0.0 5.50 325 325 A 24 GLY HAy A 24 GLY HAx 1.0 0.0 2.96 326 326 A 24 GLY HAy A 25 CYS H 1.0 0.0 4.34 327 327 A 24 GLY HAy A 25 CYS H 1.0 0.0 4.56 328 328 A 24 GLY H A 24 GLY HAy 1.0 0.0 3.78 329 329 A 24 GLY H A 24 GLY HAy 1.0 0.0 4.69 330 330 A 24 GLY H A 25 CYS H 1.0 0.0 3.76 331 331 A 25 CYS HA A 25 CYS HBx 1.0 0.0 3.27 332 332 A 25 CYS HA A 25 CYS HBy 1.0 0.0 3.17 333 333 A 25 CYS HA A 26 ASP H 1.0 0.0 4.66 334 334 A 25 CYS HBx A 25 CYS HBy 1.0 0.0 2.76 335 335 A 25 CYS HBy A 26 ASP H 1.0 0.0 5.50 336 336 A 25 CYS HBy A 27 GLU HGx 1.0 0.0 4.71 337 337 A 27 GLU H A 25 CYS HBy 1.0 0.0 5.18 338 338 A 25 CYS H A 25 CYS HA 1.0 0.0 3.92 339 339 A 25 CYS H A 25 CYS HBx 1.0 0.0 3.74 340 340 A 25 CYS H A 25 CYS HBy 1.0 0.0 4.38 341 341 A 25 CYS H A 26 ASP H 1.0 0.0 3.74 342 342 A 27 GLU H A 25 CYS H 1.0 0.0 5.50 343 343 A 26 ASP HA A 26 ASP HBx 1.0 0.0 3.72 344 344 A 26 ASP HA A 27 GLU H 1.0 0.0 4.82 345 345 A 26 ASP HBx A 27 GLU H 1.0 0.0 5.50 346 346 A 26 ASP HA A 26 ASP H 1.0 0.0 3.54 347 347 A 26 ASP HBx A 26 ASP H 1.0 0.0 4.76 348 348 A 27 GLU H A 26 ASP H 1.0 0.0 4.49 349 349 A 27 GLU HA A 27 GLU HBy 1.0 0.0 3.94 350 350 A 27 GLU HA A 27 GLU HBx 1.0 0.0 3.71 351 351 A 27 GLU HA A 27 GLU HGy 1.0 0.0 4.92 352 352 A 27 GLU HA A 27 GLU HGx 1.0 0.0 3.76 353 353 A 27 GLU HA A 28 TRP HD1 1.0 0.0 4.65 354 354 A 27 GLU HA A 28 TRP H 1.0 0.0 3.31 355 355 A 27 GLU HBy A 27 GLU HBx 1.0 0.0 3.06 356 356 A 27 GLU HBy A 27 GLU HGx 1.0 0.0 3.63 357 357 A 27 GLU HBy A 28 TRP H 1.0 0.0 5.02 358 358 A 27 GLU HBy A 29 PHE HE% 1.0 0.0 5.14 359 359 A 27 GLU HBy A 29 PHE HZ 1.0 0.0 4.48 360 360 A 27 GLU HBx A 27 GLU HGy 1.0 0.0 4.27 361 361 A 27 GLU HBx A 27 GLU HGx 1.0 0.0 3.90 362 362 A 27 GLU HBx A 28 TRP H 1.0 0.0 4.17 363 363 A 27 GLU HBx A 29 PHE HE% 1.0 0.0 5.23 364 364 A 27 GLU HBx A 29 PHE HZ 1.0 0.0 4.89 365 365 A 28 TRP H A 27 GLU HGx 1.0 0.0 5.50 366 366 A 27 GLU HA A 27 GLU H 1.0 0.0 4.13 367 367 A 27 GLU HBy A 27 GLU H 1.0 0.0 4.04 368 368 A 27 GLU HBx A 27 GLU H 1.0 0.0 4.63 369 369 A 27 GLU HGy A 27 GLU H 1.0 0.0 4.82 370 370 A 27 GLU H A 27 GLU HGx 1.0 0.0 4.43 371 371 A 29 PHE HZ A 27 GLU H 1.0 0.0 5.43 372 372 A 28 TRP HB3 A 28 TRP HA 1.0 0.0 4.43 373 373 A 28 TRP HA A 28 TRP HB2 1.0 0.0 4.25 374 374 A 28 TRP HE3 A 28 TRP HA 1.0 0.0 5.50 375 375 A 29 PHE H A 28 TRP HA 1.0 0.0 4.18 376 376 A 28 TRP HB3 A 28 TRP HD1 1.0 0.0 4.86 377 377 A 28 TRP HE3 A 28 TRP HB3 1.0 0.0 4.28 378 378 A 28 TRP HB3 A 29 PHE H 1.0 0.0 5.15 379 379 A 28 TRP HB3 A 28 TRP HB2 1.0 0.0 3.17 380 380 A 28 TRP HD1 A 28 TRP HB2 1.0 0.0 4.85 381 381 A 28 TRP HE3 A 28 TRP HB2 1.0 0.0 5.50 382 382 A 28 TRP HE1 A 28 TRP HD1 1.0 0.0 3.91 383 383 A 28 TRP HE1 A 28 TRP HZ2 1.0 0.0 5.50 384 384 A 28 TRP HE3 A 29 PHE H 1.0 0.0 5.50 385 385 A 28 TRP HZ2 A 28 TRP HH2 1.0 0.0 4.47 386 386 A 28 TRP H A 28 TRP HA 1.0 0.0 4.82 387 387 A 28 TRP H A 28 TRP HB3 1.0 0.0 4.68 388 388 A 28 TRP H A 28 TRP HB2 1.0 0.0 4.34 389 389 A 28 TRP H A 28 TRP HD1 1.0 0.0 5.08 390 390 A 28 TRP HE3 A 28 TRP HZ3 1.0 0.0 5.42 391 391 A 28 TRP HZ3 A 28 TRP HH2 1.0 0.0 4.66 392 392 A 29 PHE HA A 29 PHE HBy 1.0 0.0 4.14 393 393 A 29 PHE HA A 29 PHE HBx 1.0 0.0 4.46 394 394 A 29 PHE HD% A 29 PHE HA 1.0 0.0 4.70 395 395 A 30 HIS H A 29 PHE HA 1.0 0.0 3.76 396 396 A 29 PHE HD% A 29 PHE HBy 1.0 0.0 3.69 397 397 A 30 HIS H A 29 PHE HBy 1.0 0.0 4.11 398 398 A 29 PHE HBy A 34 VAL HGx% 1.0 0.0 3.99 399 399 A 29 PHE HBy A 34 VAL HGy% 1.0 0.0 3.78 400 400 A 29 PHE HBy A 29 PHE HBx 1.0 0.0 2.99 401 401 A 29 PHE HD% A 29 PHE HBx 1.0 0.0 3.96 402 402 A 30 HIS H A 29 PHE HBx 1.0 0.0 5.06 403 403 A 29 PHE HBx A 34 VAL HGx% 1.0 0.0 4.21 404 404 A 34 VAL HGy% A 29 PHE HBx 1.0 0.0 4.45 405 405 A 29 PHE HD% A 29 PHE HE% 1.0 0.0 4.96 406 406 A 30 HIS H A 29 PHE HD% 1.0 0.0 5.33 407 407 A 29 PHE HD% A 34 VAL HGy% 1.0 0.0 3.81 408 408 A 29 PHE HZ A 29 PHE HE% 1.0 0.0 5.30 409 409 A 29 PHE HE% A 48 CYS HBy 1.0 0.0 4.36 410 410 A 29 PHE HBy A 29 PHE H 1.0 0.0 4.23 411 411 A 29 PHE H A 29 PHE HBx 1.0 0.0 4.41 412 412 A 29 PHE HD% A 29 PHE H 1.0 0.0 4.63 413 413 A 29 PHE HZ A 48 CYS HBy 1.0 0.0 4.69 414 414 A 29 PHE HZ A 48 CYS HBx 1.0 0.0 4.80 415 415 A 30 HIS HA A 30 HIS HBx 1.0 0.0 4.17 416 416 A 30 HIS HA A 31 GLN H 1.0 0.0 4.53 417 417 A 30 HIS HA A 32 VAL H 1.0 0.0 5.28 418 418 A 32 VAL HGx% A 30 HIS HBy 1.0 0.0 5.03 419 419 A 33 CYS HBy A 30 HIS HBy 1.0 0.0 4.48 420 420 A 33 CYS HBx A 30 HIS HBy 1.0 0.0 4.51 421 421 A 30 HIS HBy A 33 CYS H 1.0 0.0 4.28 422 422 A 34 VAL H A 30 HIS HBy 1.0 0.0 5.50 423 423 A 30 HIS HBx A 30 HIS HBy 1.0 0.0 3.68 424 424 A 31 GLN H A 30 HIS HBx 1.0 0.0 5.50 425 425 A 32 VAL HGx% A 30 HIS HBx 1.0 0.0 4.74 426 426 A 30 HIS HBx A 32 VAL H 1.0 0.0 5.01 427 427 A 30 HIS HBx A 33 CYS H 1.0 0.0 5.31 428 428 A 30 HIS HE1 A 30 HIS HD2 1.0 0.0 5.47 429 429 A 30 HIS H A 30 HIS HA 1.0 0.0 4.03 430 430 A 30 HIS H A 30 HIS HBy 1.0 0.0 4.86 431 431 A 30 HIS H A 30 HIS HBx 1.0 0.0 5.43 432 432 A 30 HIS H A 33 CYS HBy 1.0 0.0 4.85 433 433 A 30 HIS H A 33 CYS HBx 1.0 0.0 5.32 434 434 A 30 HIS H A 33 CYS H 1.0 0.0 5.50 435 435 A 30 HIS H A 34 VAL HGx% 1.0 0.0 5.50 436 436 A 30 HIS H A 34 VAL HGy% 1.0 0.0 5.50 437 437 A 31 GLN HA A 31 GLN HBy 1.0 0.0 3.71 438 438 A 31 GLN HA A 31 GLN HBx 1.0 0.0 4.71 439 439 A 31 GLN HGy A 31 GLN HA 1.0 0.0 3.96 440 440 A 31 GLN HGx A 31 GLN HA 1.0 0.0 3.70 441 441 A 31 GLN HA A 32 VAL H 1.0 0.0 5.03 442 442 A 31 GLN HA A 34 VAL HGx% 1.0 0.0 3.63 443 443 A 34 VAL H A 31 GLN HA 1.0 0.0 4.92 444 444 A 31 GLN HA A 36 VAL HB 1.0 0.0 3.73 445 445 A 31 GLN HA A 36 VAL HGx% 1.0 0.0 4.58 446 446 A 31 GLN HA A 36 VAL HGy% 1.0 0.0 4.21 447 447 A 31 GLN HA A 36 VAL H 1.0 0.0 4.77 448 448 A 31 GLN HGy A 31 GLN HBy 1.0 0.0 4.20 449 449 A 31 GLN HGx A 31 GLN HBy 1.0 0.0 3.97 450 450 A 32 VAL H A 31 GLN HBy 1.0 0.0 4.85 451 451 A 31 GLN HBy A 36 VAL HGx% 1.0 0.0 4.83 452 452 A 31 GLN HBy A 36 VAL HGy% 1.0 0.0 4.88 453 453 A 31 GLN HBy A 36 VAL H 1.0 0.0 5.04 454 454 A 31 GLN HBy A 31 GLN HBx 1.0 0.0 3.08 455 455 A 32 VAL H A 31 GLN HBx 1.0 0.0 4.31 456 456 A 31 GLN HE2y A 38 PRO HA 1.0 0.0 4.27 457 457 A 31 GLN HE2y A 38 PRO HBy 1.0 0.0 5.36 458 458 A 31 GLN HE2y A 41 ALA HB% 1.0 0.0 4.41 459 459 A 31 GLN HE2x A 41 ALA HB% 1.0 0.0 3.91 460 460 A 31 GLN HE2y A 31 GLN HGy 1.0 0.0 4.52 461 461 A 31 GLN HE2x A 31 GLN HGy 1.0 0.0 4.05 462 462 A 31 GLN HGy A 32 VAL H 1.0 0.0 5.50 463 463 A 31 GLN HGy A 36 VAL HGx% 1.0 0.0 4.33 464 464 A 31 GLN HGy A 36 VAL H 1.0 0.0 5.50 465 465 A 31 GLN HE2y A 31 GLN HGx 1.0 0.0 5.15 466 466 A 31 GLN HE2x A 31 GLN HGx 1.0 0.0 4.50 467 467 A 31 GLN HGx A 36 VAL HGx% 1.0 0.0 3.90 468 468 A 31 GLN HGx A 36 VAL HGy% 1.0 0.0 4.90 469 469 A 31 GLN HGx A 36 VAL H 1.0 0.0 5.50 470 470 A 31 GLN H A 31 GLN HA 1.0 0.0 4.63 471 471 A 31 GLN H A 31 GLN HBy 1.0 0.0 4.96 472 472 A 31 GLN H A 31 GLN HBx 1.0 0.0 4.79 473 473 A 31 GLN HGy A 31 GLN H 1.0 0.0 4.31 474 474 A 31 GLN HGx A 31 GLN H 1.0 0.0 4.88 475 475 A 32 VAL HA A 32 VAL HB 1.0 0.0 3.41 476 476 A 32 VAL HGx% A 32 VAL HA 1.0 0.0 3.70 477 477 A 33 CYS H A 32 VAL HA 1.0 0.0 5.15 478 478 A 32 VAL HA A 35 GLY H 1.0 0.0 4.65 479 479 A 36 VAL H A 32 VAL HA 1.0 0.0 5.04 480 480 A 32 VAL HGx% A 32 VAL HB 1.0 0.0 3.11 481 481 A 33 CYS H A 32 VAL HB 1.0 0.0 5.20 482 482 A 32 VAL HGx% A 33 CYS H 1.0 0.0 3.93 483 483 A 32 VAL HGx% A 35 GLY H 1.0 0.0 5.60 484 484 A 32 VAL HGy% A 33 CYS H 1.0 0.0 4.03 485 485 A 32 VAL H A 32 VAL HA 1.0 0.0 4.18 486 486 A 32 VAL H A 32 VAL HB 1.0 0.0 3.97 487 487 A 32 VAL HGx% A 32 VAL H 1.0 0.0 3.59 488 488 A 32 VAL H A 33 CYS H 1.0 0.0 4.40 489 489 A 34 VAL H A 32 VAL H 1.0 0.0 5.50 490 490 A 33 CYS HA A 33 CYS HBy 1.0 0.0 4.15 491 491 A 33 CYS HA A 33 CYS HBx 1.0 0.0 3.58 492 492 A 33 CYS HA A 34 VAL H 1.0 0.0 4.56 493 493 A 33 CYS HBy A 34 VAL H 1.0 0.0 4.31 494 494 A 33 CYS HBx A 34 VAL H 1.0 0.0 4.79 495 495 A 33 CYS HA A 33 CYS H 1.0 0.0 4.14 496 496 A 33 CYS HBy A 33 CYS H 1.0 0.0 3.91 497 497 A 33 CYS HBx A 33 CYS H 1.0 0.0 4.34 498 498 A 34 VAL H A 33 CYS H 1.0 0.0 3.89 499 499 A 34 VAL HA A 34 VAL HB 1.0 0.0 3.23 500 500 A 34 VAL HGx% A 34 VAL HA 1.0 0.0 3.98 501 501 A 34 VAL HGy% A 34 VAL HA 1.0 0.0 3.22 502 502 A 35 GLY H A 34 VAL HA 1.0 0.0 4.28 503 503 A 34 VAL HGx% A 34 VAL HB 1.0 0.0 3.29 504 504 A 35 GLY H A 34 VAL HB 1.0 0.0 5.21 505 505 A 36 VAL HGy% A 34 VAL HB 1.0 0.0 4.76 506 506 A 34 VAL HB A 46 TYR HE% 1.0 0.0 4.92 507 507 A 34 VAL HGx% A 35 GLY H 1.0 0.0 4.36 508 508 A 34 VAL HGx% A 36 VAL HB 1.0 0.0 3.89 509 509 A 34 VAL HGx% A 36 VAL HGy% 1.0 0.0 3.22 510 510 A 34 VAL HGx% A 36 VAL H 1.0 0.0 4.02 511 511 A 46 TYR HD% A 34 VAL HGx% 1.0 0.0 5.50 512 512 A 34 VAL HGx% A 46 TYR HE% 1.0 0.0 5.11 513 513 A 34 VAL HGy% A 34 VAL HB 1.0 0.0 3.37 514 514 A 34 VAL HGy% A 34 VAL HGx% 1.0 0.0 3.04 515 515 A 34 VAL HGy% A 35 GLY H 1.0 0.0 5.50 516 516 A 34 VAL H A 34 VAL HA 1.0 0.0 3.98 517 517 A 34 VAL H A 34 VAL HB 1.0 0.0 4.69 518 518 A 34 VAL H A 34 VAL HGx% 1.0 0.0 3.52 519 519 A 34 VAL HGy% A 34 VAL H 1.0 0.0 4.23 520 520 A 34 VAL H A 35 GLY H 1.0 0.0 3.48 521 521 A 36 VAL H A 35 GLY HAy 1.0 0.0 4.27 522 522 A 36 VAL H A 35 GLY HAy 1.0 0.0 4.39 523 523 A 35 GLY H A 35 GLY HAy 1.0 0.0 3.44 524 524 A 35 GLY H A 35 GLY HAy 1.0 0.0 3.59 525 525 A 36 VAL HB A 35 GLY H 1.0 0.0 5.50 526 526 A 36 VAL HGy% A 35 GLY H 1.0 0.0 5.09 527 527 A 36 VAL HB A 36 VAL HA 1.0 0.0 3.78 528 528 A 36 VAL HGx% A 36 VAL HA 1.0 0.0 3.50 529 529 A 36 VAL HGy% A 36 VAL HA 1.0 0.0 3.46 530 530 A 36 VAL HA A 37 SER H 1.0 0.0 3.09 531 531 A 36 VAL HA A 40 MET HE% 1.0 0.0 3.76 532 532 A 36 VAL HB A 36 VAL HGx% 1.0 0.0 3.21 533 533 A 36 VAL HB A 36 VAL HGy% 1.0 0.0 3.21 534 534 A 36 VAL HB A 37 SER H 1.0 0.0 4.67 535 535 A 36 VAL HGx% A 37 SER H 1.0 0.0 4.07 536 536 A 36 VAL HGx% A 40 MET HBy 1.0 0.0 4.23 537 537 A 36 VAL HGx% A 40 MET HBx 1.0 0.0 3.56 538 538 A 36 VAL HGx% A 40 MET H 1.0 0.0 5.04 539 539 A 36 VAL HGx% A 41 ALA HA 1.0 0.0 4.16 540 540 A 41 ALA HB% A 36 VAL HGx% 1.0 0.0 3.80 541 541 A 36 VAL HGx% A 41 ALA H 1.0 0.0 4.08 542 542 A 46 TYR HD% A 36 VAL HGx% 1.0 0.0 5.15 543 543 A 36 VAL HGy% A 37 SER H 1.0 0.0 4.97 544 544 A 36 VAL HGy% A 40 MET HE% 1.0 0.0 3.73 545 545 A 46 TYR HBx A 36 VAL HGy% 1.0 0.0 4.62 546 546 A 46 TYR HD% A 36 VAL HGy% 1.0 0.0 4.00 547 547 A 36 VAL HGy% A 46 TYR HE% 1.0 0.0 4.59 548 548 A 36 VAL H A 36 VAL HA 1.0 0.0 3.90 549 549 A 36 VAL HB A 36 VAL H 1.0 0.0 3.56 550 550 A 36 VAL HGx% A 36 VAL H 1.0 0.0 4.41 551 551 A 36 VAL HGy% A 36 VAL H 1.0 0.0 3.75 552 552 A 37 SER HA A 37 SER HBx 1.0 0.0 3.46 553 553 A 37 SER HA A 37 SER HBy 1.0 0.0 3.47 554 554 A 37 SER HA A 38 PRO HDy 1.0 0.0 3.26 555 555 A 37 SER HA A 38 PRO HDx 1.0 0.0 3.40 556 556 A 37 SER HA A 38 PRO HGx 1.0 0.0 4.66 557 557 A 37 SER HA A 39 GLU H 1.0 0.0 4.43 558 558 A 40 MET H A 37 SER HA 1.0 0.0 4.84 559 559 A 37 SER HBx A 37 SER HBy 1.0 0.0 2.67 560 560 A 37 SER HBx A 39 GLU H 1.0 0.0 5.03 561 561 A 40 MET HBx A 37 SER HBx 1.0 0.0 4.79 562 562 A 40 MET H A 37 SER HBx 1.0 0.0 5.12 563 563 A 37 SER HBy A 38 PRO HDy 1.0 0.0 3.82 564 564 A 37 SER HBy A 38 PRO HDx 1.0 0.0 3.45 565 565 A 37 SER HBy A 38 PRO HGx 1.0 0.0 4.81 566 566 A 37 SER HBy A 39 GLU H 1.0 0.0 4.08 567 567 A 40 MET H A 37 SER HBy 1.0 0.0 4.70 568 568 A 37 SER H A 37 SER HBx 1.0 0.0 3.92 569 569 A 37 SER H A 37 SER HBy 1.0 0.0 4.47 570 570 A 37 SER H A 40 MET HBy 1.0 0.0 4.43 571 571 A 37 SER H A 40 MET HBx 1.0 0.0 3.78 572 572 A 37 SER H A 40 MET HGx 1.0 0.0 4.91 573 573 A 38 PRO HA A 39 GLU H 1.0 0.0 4.84 574 574 A 38 PRO HA A 40 MET H 1.0 0.0 5.40 575 575 A 41 ALA HB% A 38 PRO HA 1.0 0.0 3.71 576 576 A 38 PRO HA A 41 ALA H 1.0 0.0 4.31 577 577 A 38 PRO HA A 42 GLU H 1.0 0.0 5.43 578 578 A 38 PRO HA A 38 PRO HBy 1.0 0.0 3.32 579 579 A 38 PRO HBy A 38 PRO HDy 1.0 0.0 4.64 580 580 A 38 PRO HBy A 38 PRO HDx 1.0 0.0 4.59 581 581 A 38 PRO HBy A 38 PRO HGx 1.0 0.0 3.29 582 582 A 38 PRO HBy A 39 GLU H 1.0 0.0 4.57 583 583 A 38 PRO HA A 38 PRO HBx 1.0 0.0 3.92 584 584 A 38 PRO HDy A 38 PRO HBx 1.0 0.0 4.45 585 585 A 38 PRO HDx A 38 PRO HBx 1.0 0.0 4.15 586 586 A 39 GLU H A 38 PRO HBx 1.0 0.0 4.19 587 587 A 38 PRO HDy A 39 GLU H 1.0 0.0 4.95 588 588 A 38 PRO HDx A 39 GLU H 1.0 0.0 4.04 589 589 A 38 PRO HA A 38 PRO HGx 1.0 0.0 3.78 590 590 A 38 PRO HDy A 38 PRO HGx 1.0 0.0 3.38 591 591 A 38 PRO HDx A 38 PRO HGx 1.0 0.0 3.34 592 592 A 38 PRO HGx A 39 GLU H 1.0 0.0 4.78 593 593 A 39 GLU HA A 39 GLU HBx 1.0 0.0 3.76 594 594 A 39 GLU HA A 39 GLU HBy 1.0 0.0 3.24 595 595 A 39 GLU HA A 39 GLU HGy 1.0 0.0 4.27 596 596 A 39 GLU HA A 39 GLU HGx 1.0 0.0 3.77 597 597 A 40 MET H A 39 GLU HA 1.0 0.0 3.64 598 598 A 39 GLU HA A 42 GLU HBx 1.0 0.0 4.73 599 599 A 42 GLU H A 39 GLU HA 1.0 0.0 4.27 600 600 A 39 GLU HA A 43 ASN HD2x 1.0 0.0 5.50 601 601 A 39 GLU HA A 43 ASN HD2y 1.0 0.0 5.03 602 602 A 40 MET H A 39 GLU HBx 1.0 0.0 3.81 603 603 A 39 GLU HBy A 39 GLU HGy 1.0 0.0 3.43 604 604 A 40 MET H A 39 GLU HBy 1.0 0.0 4.43 605 605 A 39 GLU HGx A 43 ASN HD2x 1.0 0.0 5.50 606 606 A 39 GLU H A 39 GLU HA 1.0 0.0 3.80 607 607 A 39 GLU H A 39 GLU HBx 1.0 0.0 3.29 608 608 A 39 GLU H A 39 GLU HBy 1.0 0.0 3.93 609 609 A 39 GLU H A 39 GLU HGy 1.0 0.0 4.87 610 610 A 39 GLU H A 39 GLU HGx 1.0 0.0 4.38 611 611 A 40 MET H A 39 GLU H 1.0 0.0 3.58 612 612 A 40 MET HBy A 40 MET HA 1.0 0.0 3.99 613 613 A 40 MET HBx A 40 MET HA 1.0 0.0 3.35 614 614 A 40 MET HGx A 40 MET HA 1.0 0.0 3.67 615 615 A 41 ALA H A 40 MET HA 1.0 0.0 4.16 616 616 A 40 MET HA A 43 ASN HBx 1.0 0.0 4.97 617 617 A 40 MET HA A 43 ASN HBy 1.0 0.0 4.57 618 618 A 40 MET HA A 43 ASN H 1.0 0.0 4.44 619 619 A 40 MET HA A 44 GLU H 1.0 0.0 5.11 620 620 A 40 MET HBy A 41 ALA H 1.0 0.0 4.48 621 621 A 40 MET HBx A 41 ALA H 1.0 0.0 3.71 622 622 A 40 MET HE% A 40 MET HGx 1.0 0.0 3.85 623 623 A 41 ALA H A 40 MET HGx 1.0 0.0 5.06 624 624 A 40 MET HGx A 46 TYR H 1.0 0.0 5.06 625 625 A 40 MET H A 40 MET HA 1.0 0.0 3.80 626 626 A 40 MET HBy A 40 MET H 1.0 0.0 4.10 627 627 A 40 MET HBx A 40 MET H 1.0 0.0 3.32 628 628 A 40 MET H A 40 MET HGx 1.0 0.0 4.46 629 629 A 41 ALA HB% A 40 MET H 1.0 0.0 5.13 630 630 A 40 MET H A 41 ALA H 1.0 0.0 3.48 631 631 A 41 ALA HB% A 41 ALA HA 1.0 0.0 3.20 632 632 A 41 ALA HA A 42 GLU H 1.0 0.0 3.98 633 633 A 41 ALA HB% A 42 GLU H 1.0 0.0 3.84 634 634 A 41 ALA HA A 41 ALA H 1.0 0.0 3.54 635 635 A 41 ALA HB% A 41 ALA H 1.0 0.0 3.21 636 636 A 41 ALA H A 42 GLU H 1.0 0.0 3.90 637 637 A 42 GLU HBx A 42 GLU HA 1.0 0.0 4.56 638 638 A 42 GLU HBx A 42 GLU HGx 1.0 0.0 3.81 639 639 A 42 GLU HBx A 43 ASN HD2x 1.0 0.0 5.30 640 640 A 42 GLU HBx A 43 ASN HD2y 1.0 0.0 5.19 641 641 A 42 GLU H A 42 GLU HA 1.0 0.0 4.35 642 642 A 42 GLU H A 42 GLU HBx 1.0 0.0 3.46 643 643 A 42 GLU H A 42 GLU HGx 1.0 0.0 4.53 644 644 A 43 ASN HBx A 43 ASN HA 1.0 0.0 3.85 645 645 A 43 ASN HBy A 43 ASN HA 1.0 0.0 3.80 646 646 A 43 ASN HD2y A 43 ASN HA 1.0 0.0 5.50 647 647 A 43 ASN HD2x A 43 ASN HBx 1.0 0.0 4.47 648 648 A 43 ASN HD2y A 43 ASN HBx 1.0 0.0 3.85 649 649 A 43 ASN HBx A 44 GLU H 1.0 0.0 4.85 650 650 A 43 ASN HBy A 44 GLU H 1.0 0.0 4.89 651 651 A 43 ASN H A 43 ASN HA 1.0 0.0 3.97 652 652 A 43 ASN HBx A 43 ASN H 1.0 0.0 3.59 653 653 A 43 ASN HBy A 43 ASN H 1.0 0.0 3.57 654 654 A 43 ASN H A 44 GLU H 1.0 0.0 3.51 655 655 A 44 GLU HA A 44 GLU HBx 1.0 0.0 4.71 656 656 A 44 GLU HA A 44 GLU HBy 1.0 0.0 4.19 657 657 A 44 GLU HBx A 44 GLU HBy 1.0 0.0 2.81 658 658 A 44 GLU H A 44 GLU HA 1.0 0.0 4.32 659 659 A 44 GLU H A 44 GLU HBx 1.0 0.0 4.65 660 660 A 44 GLU H A 44 GLU HBy 1.0 0.0 5.08 661 661 A 44 GLU H A 44 GLU HGx 1.0 0.0 5.25 662 662 A 46 TYR H A 45 ASP HBy 1.0 0.0 4.47 663 663 A 46 TYR H A 45 ASP HBx 1.0 0.0 5.50 664 664 A 46 TYR H A 45 ASP H 1.0 0.0 5.50 665 665 A 46 TYR HBx A 46 TYR HA 1.0 0.0 4.18 666 666 A 46 TYR HD% A 46 TYR HA 1.0 0.0 3.63 667 667 A 46 TYR HA A 47 ILE H 1.0 0.0 3.13 668 668 A 46 TYR HD% A 46 TYR HBy 1.0 0.0 5.03 669 669 A 46 TYR HBx A 46 TYR HD% 1.0 0.0 4.21 670 670 A 46 TYR HBx A 47 ILE H 1.0 0.0 4.90 671 671 A 46 TYR HD% A 46 TYR HE% 1.0 0.0 4.70 672 672 A 46 TYR HD% A 47 ILE H 1.0 0.0 5.50 673 673 A 46 TYR HE% A 48 CYS HA 1.0 0.0 4.62 674 674 A 48 CYS HBy A 46 TYR HE% 1.0 0.0 5.00 675 675 A 48 CYS HBx A 46 TYR HE% 1.0 0.0 4.89 676 676 A 46 TYR HD% A 46 TYR H 1.0 0.0 5.50 677 677 A 46 TYR H A 47 ILE H 1.0 0.0 5.50 678 678 A 47 ILE HA A 47 ILE HB 1.0 0.0 4.29 679 679 A 47 ILE HD1% A 47 ILE HA 1.0 0.0 3.79 680 680 A 47 ILE HA A 47 ILE HG1y 1.0 0.0 4.65 681 681 A 47 ILE HA A 47 ILE HG1x 1.0 0.0 4.41 682 682 A 47 ILE HG2% A 47 ILE HA 1.0 0.0 3.56 683 683 A 48 CYS H A 47 ILE HA 1.0 0.0 3.43 684 684 A 47 ILE HD1% A 47 ILE HB 1.0 0.0 4.02 685 685 A 47 ILE HB A 47 ILE HG1y 1.0 0.0 3.59 686 686 A 47 ILE HB A 47 ILE HG1x 1.0 0.0 3.74 687 687 A 47 ILE HG2% A 47 ILE HB 1.0 0.0 3.21 688 688 A 47 ILE HD1% A 47 ILE HG1y 1.0 0.0 3.58 689 689 A 47 ILE HD1% A 47 ILE HG1x 1.0 0.0 3.65 690 690 A 47 ILE HG1y A 47 ILE HG1x 1.0 0.0 2.91 691 691 A 47 ILE HG2% A 47 ILE HG1y 1.0 0.0 3.30 692 692 A 47 ILE HG2% A 48 CYS HA 1.0 0.0 5.10 693 693 A 48 CYS H A 47 ILE HG2% 1.0 0.0 4.09 694 694 A 47 ILE HG2% A 51 CYS HA 1.0 0.0 4.87 695 695 A 47 ILE HG2% A 51 CYS HBy 1.0 0.0 3.79 696 696 A 47 ILE HG2% A 51 CYS HBx 1.0 0.0 3.61 697 697 A 47 ILE HG2% A 51 CYS H 1.0 0.0 4.62 698 698 A 47 ILE HG2% A 52 ALA HA 1.0 0.0 3.38 699 699 A 47 ILE HG2% A 52 ALA HB% 1.0 0.0 3.33 700 700 A 47 ILE HG2% A 52 ALA H 1.0 0.0 4.07 701 701 A 47 ILE H A 47 ILE HB 1.0 0.0 3.81 702 702 A 47 ILE HD1% A 47 ILE H 1.0 0.0 4.75 703 703 A 47 ILE H A 47 ILE HG1y 1.0 0.0 4.81 704 704 A 47 ILE H A 47 ILE HG1x 1.0 0.0 4.25 705 705 A 47 ILE HG2% A 47 ILE H 1.0 0.0 4.60 706 706 A 48 CYS H A 47 ILE H 1.0 0.0 5.32 707 707 A 48 CYS HBy A 48 CYS HA 1.0 0.0 3.34 708 708 A 48 CYS HBx A 48 CYS HA 1.0 0.0 3.50 709 709 A 48 CYS HA A 49 ILE H 1.0 0.0 3.27 710 710 A 48 CYS HA A 50 ASN H 1.0 0.0 5.11 711 711 A 48 CYS HBy A 49 ILE H 1.0 0.0 3.63 712 712 A 48 CYS HBy A 50 ASN H 1.0 0.0 4.87 713 713 A 48 CYS HBy A 51 CYS H 1.0 0.0 5.49 714 714 A 48 CYS HBy A 48 CYS HBx 1.0 0.0 3.11 715 715 A 48 CYS HBx A 49 ILE H 1.0 0.0 4.40 716 716 A 48 CYS H A 48 CYS HA 1.0 0.0 4.04 717 717 A 48 CYS H A 48 CYS HBy 1.0 0.0 4.47 718 718 A 48 CYS H A 48 CYS HBx 1.0 0.0 3.87 719 719 A 48 CYS H A 49 ILE H 1.0 0.0 5.50 720 720 A 48 CYS H A 51 CYS HBy 1.0 0.0 5.50 721 721 A 48 CYS H A 51 CYS HBx 1.0 0.0 4.85 722 722 A 48 CYS H A 51 CYS H 1.0 0.0 5.44 723 723 A 49 ILE HA A 49 ILE HB 1.0 0.0 3.13 724 724 A 49 ILE HD1% A 49 ILE HA 1.0 0.0 4.33 725 725 A 49 ILE HA A 49 ILE HG1x 1.0 0.0 3.63 726 726 A 49 ILE HA A 49 ILE HG1y 1.0 0.0 3.85 727 727 A 49 ILE HA A 49 ILE HG2% 1.0 0.0 4.15 728 728 A 50 ASN H A 49 ILE HA 1.0 0.0 4.63 729 729 A 51 CYS H A 49 ILE HA 1.0 0.0 5.15 730 730 A 52 ALA HB% A 49 ILE HA 1.0 0.0 3.87 731 731 A 52 ALA H A 49 ILE HA 1.0 0.0 4.55 732 732 A 49 ILE HD1% A 49 ILE HB 1.0 0.0 3.63 733 733 A 49 ILE HB A 49 ILE HG1x 1.0 0.0 4.07 734 734 A 49 ILE HB A 49 ILE HG1y 1.0 0.0 3.75 735 735 A 49 ILE HB A 49 ILE HG2% 1.0 0.0 3.07 736 736 A 50 ASN H A 49 ILE HB 1.0 0.0 5.22 737 737 A 50 ASN H A 49 ILE HG1x 1.0 0.0 5.04 738 738 A 49 ILE HD1% A 49 ILE HG1y 1.0 0.0 3.25 739 739 A 49 ILE HG1x A 49 ILE HG1y 1.0 0.0 2.87 740 740 A 49 ILE HG1y A 50 ASN HD2x 1.0 0.0 5.50 741 741 A 50 ASN H A 49 ILE HG1y 1.0 0.0 4.68 742 742 A 49 ILE HG2% A 50 ASN HD2x 1.0 0.0 5.40 743 743 A 49 ILE HG2% A 50 ASN HD2y 1.0 0.0 5.50 744 744 A 50 ASN H A 49 ILE HG2% 1.0 0.0 4.08 745 745 A 51 CYS H A 49 ILE HG2% 1.0 0.0 5.48 746 746 A 49 ILE H A 49 ILE HA 1.0 0.0 3.59 747 747 A 49 ILE H A 49 ILE HB 1.0 0.0 3.58 748 748 A 49 ILE HD1% A 49 ILE H 1.0 0.0 5.38 749 749 A 49 ILE H A 49 ILE HG1x 1.0 0.0 4.37 750 750 A 49 ILE H A 49 ILE HG1y 1.0 0.0 4.36 751 751 A 49 ILE H A 49 ILE HG2% 1.0 0.0 3.33 752 752 A 49 ILE H A 50 ASN H 1.0 0.0 4.10 753 753 A 50 ASN HA A 50 ASN HBy 1.0 0.0 3.83 754 754 A 50 ASN HA A 50 ASN HBx 1.0 0.0 3.47 755 755 A 51 CYS H A 50 ASN HA 1.0 0.0 5.10 756 756 A 50 ASN HD2x A 50 ASN HBy 1.0 0.0 4.33 757 757 A 50 ASN HD2y A 50 ASN HBy 1.0 0.0 4.02 758 758 A 50 ASN HD2x A 50 ASN HBx 1.0 0.0 4.59 759 759 A 50 ASN HD2y A 50 ASN HBx 1.0 0.0 4.04 760 760 A 50 ASN H A 50 ASN HA 1.0 0.0 4.01 761 761 A 50 ASN H A 50 ASN HBy 1.0 0.0 3.68 762 762 A 50 ASN H A 50 ASN HBx 1.0 0.0 4.25 763 763 A 50 ASN H A 50 ASN HD2x 1.0 0.0 5.50 764 764 A 50 ASN H A 50 ASN HD2y 1.0 0.0 4.99 765 765 A 51 CYS H A 50 ASN H 1.0 0.0 3.31 766 766 A 52 ALA H A 50 ASN H 1.0 0.0 4.69 767 767 A 51 CYS HBy A 51 CYS HA 1.0 0.0 3.58 768 768 A 51 CYS HBx A 51 CYS HA 1.0 0.0 3.94 769 769 A 51 CYS HA A 52 ALA H 1.0 0.0 4.52 770 770 A 51 CYS HBy A 52 ALA H 1.0 0.0 4.84 771 771 A 51 CYS HBy A 51 CYS HBx 1.0 0.0 2.83 772 772 A 51 CYS HBx A 52 ALA H 1.0 0.0 4.42 773 773 A 51 CYS HA A 51 CYS H 1.0 0.0 4.00 774 774 A 51 CYS HBy A 51 CYS H 1.0 0.0 3.84 775 775 A 51 CYS HBx A 51 CYS H 1.0 0.0 3.51 776 776 A 51 CYS H A 52 ALA H 1.0 0.0 3.48 777 777 A 52 ALA HA A 52 ALA HB% 1.0 0.0 3.11 778 778 A 52 ALA HA A 52 ALA H 1.0 0.0 3.68 779 779 A 52 ALA HB% A 52 ALA H 1.0 0.0 3.17 780 780 A 24 GLY HAy A 26 ASP H 1.0 0.0 5.35 781 780 A 21 CYS HBy A 26 ASP H 1.0 0.0 5.35 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 hbond _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 19 VAL H A 29 PHE O 1.0 0.0 2.3 2 2 A 29 PHE O A 19 VAL N 1.0 0.0 3.3 3 3 A 29 PHE H A 19 VAL O 1.0 0.0 2.3 4 4 A 19 VAL O A 29 PHE N 1.0 0.0 3.3 5 5 A 21 CYS H A 27 GLU O 1.0 0.0 2.3 6 6 A 27 GLU O A 21 CYS N 1.0 0.0 3.3 7 7 A 34 VAL H A 30 HIS O 1.0 0.0 2.3 8 8 A 30 HIS O A 34 VAL N 1.0 0.0 3.3 9 9 A 41 ALA H A 37 SER O 1.0 0.0 2.3 10 10 A 37 SER O A 41 ALA N 1.0 0.0 3.3 11 11 A 43 ASN H A 39 GLU O 1.0 0.0 2.3 12 12 A 39 GLU O A 43 ASN N 1.0 0.0 3.3 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _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 1 SER C A 2 VAL N A 2 VAL CA A 2 VAL C 1.0 -130.8000 -99.7400 PHI 2 2 A 2 VAL N A 2 VAL CA A 2 VAL C A 3 CYS N 1.0 116.7000 139.4700 PSI 3 3 A 2 VAL C A 3 CYS N A 3 CYS CA A 3 CYS C 1.0 -143.5000 -79.6000 PHI 4 4 A 3 CYS N A 3 CYS CA A 3 CYS C A 4 ALA N 1.0 112.4400 187.1100 PSI 5 5 A 3 CYS C A 4 ALA N A 4 ALA CA A 4 ALA C 1.0 -148.4000 -39.9100 PHI 6 6 A 4 ALA N A 4 ALA CA A 4 ALA C A 5 ALA N 1.0 120.5300 170.6500 PSI 7 7 A 5 ALA C A 6 GLN N A 6 GLN CA A 6 GLN C 1.0 -85.4200 -49.7500 PHI 8 8 A 6 GLN N A 6 GLN CA A 6 GLN C A 7 ASN N 1.0 -42.4000 -17.2000 PSI 9 9 A 11 PRO N A 11 PRO CA A 11 PRO C A 12 CYS N 1.0 132.7800 158.1000 PSI 10 10 A 17 ASP C A 18 TRP N A 18 TRP CA A 18 TRP C 1.0 -160.1000 -96.3000 PHI 11 11 A 18 TRP N A 18 TRP CA A 18 TRP C A 19 VAL N 1.0 121.4800 158.5300 PSI 12 12 A 18 TRP C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -147.2000 -117.6000 PHI 13 13 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 GLN N 1.0 106.9100 144.0500 PSI 14 14 A 19 VAL C A 20 GLN N A 20 GLN CA A 20 GLN C 1.0 -132.9000 -77.3600 PHI 15 15 A 20 GLN N A 20 GLN CA A 20 GLN C A 21 CYS N 1.0 110.6200 137.9800 PSI 16 16 A 21 CYS C A 22 ASP N A 22 ASP CA A 22 ASP C 1.0 -135.1000 -51.8900 PHI 17 17 A 27 GLU C A 28 TRP N A 28 TRP CA A 28 TRP C 1.0 -136.7000 -74.0900 PHI 18 18 A 28 TRP N A 28 TRP CA A 28 TRP C A 29 PHE N 1.0 105.8500 188.5700 PSI 19 19 A 28 TRP C A 29 PHE N A 29 PHE CA A 29 PHE C 1.0 -158.4000 -86.2200 PHI 20 20 A 29 PHE N A 29 PHE CA A 29 PHE C A 30 HIS N 1.0 108.4500 160.8000 PSI 21 21 A 29 PHE C A 30 HIS N A 30 HIS CA A 30 HIS C 1.0 -100.9000 -49.6600 PHI 22 22 A 30 HIS N A 30 HIS CA A 30 HIS C A 31 GLN N 1.0 95.4640 169.1700 PSI 23 23 A 30 HIS C A 31 GLN N A 31 GLN CA A 31 GLN C 1.0 -75.4200 -46.2300 PHI 24 24 A 31 GLN N A 31 GLN CA A 31 GLN C A 32 VAL N 1.0 -56.8900 -24.6700 PSI 25 25 A 31 GLN C A 32 VAL N A 32 VAL CA A 32 VAL C 1.0 -76.0900 -48.8100 PHI 26 26 A 32 VAL N A 32 VAL CA A 32 VAL C A 33 CYS N 1.0 -49.5500 -19.8800 PSI 27 27 A 32 VAL C A 33 CYS N A 33 CYS CA A 33 CYS C 1.0 -83.1900 -51.5000 PHI 28 28 A 33 CYS N A 33 CYS CA A 33 CYS C A 34 VAL N 1.0 -52.8700 -16.7000 PSI 29 29 A 33 CYS C A 34 VAL N A 34 VAL CA A 34 VAL C 1.0 -127.7000 -74.8300 PHI 30 30 A 34 VAL N A 34 VAL CA A 34 VAL C A 35 GLY N 1.0 -28.1600 28.4450 PSI 31 31 A 35 GLY C A 36 VAL N A 36 VAL CA A 36 VAL C 1.0 -142.2000 -64.0200 PHI 32 32 A 36 VAL N A 36 VAL CA A 36 VAL C A 37 SER N 1.0 119.0700 148.7600 PSI 33 33 A 36 VAL C A 37 SER N A 37 SER CA A 37 SER C 1.0 -110.7000 -56.9000 PHI 34 34 A 37 SER N A 37 SER CA A 37 SER C A 38 PRO N 1.0 100.9100 171.7800 PSI 35 35 A 38 PRO N A 38 PRO CA A 38 PRO C A 39 GLU N 1.0 -46.1700 -12.1200 PSI 36 36 A 38 PRO C A 39 GLU N A 39 GLU CA A 39 GLU C 1.0 -72.7100 -58.5800 PHI 37 37 A 39 GLU N A 39 GLU CA A 39 GLU C A 40 MET N 1.0 -50.5200 -26.4600 PSI 38 38 A 39 GLU C A 40 MET N A 40 MET CA A 40 MET C 1.0 -73.3000 -55.1100 PHI 39 39 A 40 MET N A 40 MET CA A 40 MET C A 41 ALA N 1.0 -49.1500 -32.1400 PSI 40 40 A 40 MET C A 41 ALA N A 41 ALA CA A 41 ALA C 1.0 -80.3500 -57.7600 PHI 41 41 A 41 ALA N A 41 ALA CA A 41 ALA C A 42 GLU N 1.0 -47.9100 -11.4000 PSI 42 42 A 41 ALA C A 42 GLU N A 42 GLU CA A 42 GLU C 1.0 -106.0000 -53.2500 PHI 43 43 A 42 GLU N A 42 GLU CA A 42 GLU C A 43 ASN N 1.0 -46.5100 -14.7200 PSI 44 44 A 43 ASN C A 44 GLU N A 44 GLU CA A 44 GLU C 1.0 -155.7000 -76.4100 PHI 45 45 A 44 GLU N A 44 GLU CA A 44 GLU C A 45 ASP N 1.0 84.3445 190.3495 PSI 46 46 A 44 GLU C A 45 ASP N A 45 ASP CA A 45 ASP C 1.0 -129.5000 -54.9000 PHI 47 47 A 45 ASP N A 45 ASP CA A 45 ASP C A 46 TYR N 1.0 116.2000 144.1900 PSI 48 48 A 45 ASP C A 46 TYR N A 46 TYR CA A 46 TYR C 1.0 -136.3000 -67.4800 PHI 49 49 A 46 TYR N A 46 TYR CA A 46 TYR C A 47 ILE N 1.0 104.2000 147.6400 PSI 50 50 A 46 TYR C A 47 ILE N A 47 ILE CA A 47 ILE C 1.0 -126.7000 -87.9700 PHI 51 51 A 47 ILE N A 47 ILE CA A 47 ILE C A 48 CYS N 1.0 103.3700 154.1600 PSI 52 52 A 50 ASN C A 51 CYS N A 51 CYS CA A 51 CYS C 1.0 -77.8900 -47.5300 PHI 53 53 A 51 CYS N A 51 CYS CA A 51 CYS C A 52 ALA N 1.0 -60.2000 -25.2200 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 3 CYS N A 3 CYS H 1.0 . . . 2 2 A 4 ALA N A 4 ALA H 1.0 . . . 3 3 A 5 ALA N A 5 ALA H 1.0 . . . 4 4 A 6 GLN N A 6 GLN H 1.0 . . . 5 5 A 7 ASN N A 7 ASN H 1.0 . . . 6 6 A 8 CYS N A 8 CYS H 1.0 . . . 7 7 A 9 GLN N A 9 GLN H 1.0 . . . 8 8 A 10 ARG N A 10 ARG H 1.0 . . . 9 9 A 15 LYS N A 15 LYS H 1.0 . . . 10 10 A 17 ASP N A 17 ASP H 1.0 . . . 11 11 A 19 VAL N A 19 VAL H 1.0 . . . 12 12 A 20 GLN N A 20 GLN H 1.0 . . . 13 13 A 21 CYS N A 21 CYS H 1.0 . . . 14 14 A 22 ASP N A 22 ASP H 1.0 . . . 15 15 A 23 GLY N A 23 GLY H 1.0 . . . 16 16 A 24 GLY N A 24 GLY H 1.0 . . . 17 17 A 25 CYS N A 25 CYS H 1.0 . . . 18 18 A 26 ASP N A 26 ASP H 1.0 . . . 19 19 A 27 GLU N A 27 GLU H 1.0 . . . 20 20 A 28 TRP N A 28 TRP H 1.0 . . . 21 21 A 29 PHE N A 29 PHE H 1.0 . . . 22 22 A 30 HIS N A 30 HIS H 1.0 . . . 23 23 A 31 GLN N A 31 GLN H 1.0 . . . 24 24 A 32 VAL N A 32 VAL H 1.0 . . . 25 25 A 33 CYS N A 33 CYS H 1.0 . . . 26 26 A 34 VAL N A 34 VAL H 1.0 . . . 27 27 A 35 GLY N A 35 GLY H 1.0 . . . 28 28 A 36 VAL N A 36 VAL H 1.0 . . . 29 29 A 37 SER N A 37 SER H 1.0 . . . 30 30 A 39 GLU N A 39 GLU H 1.0 . . . 31 31 A 40 MET N A 40 MET H 1.0 . . . 32 32 A 41 ALA N A 41 ALA H 1.0 . . . 33 33 A 42 GLU N A 42 GLU H 1.0 . . . 34 34 A 43 ASN N A 43 ASN H 1.0 . . . 35 35 A 44 GLU N A 44 GLU H 1.0 . . . 36 36 A 45 ASP N A 45 ASP H 1.0 . . . 37 37 A 46 TYR N A 46 TYR H 1.0 . . . 38 38 A 47 ILE N A 47 ILE H 1.0 . . . 39 39 A 48 CYS N A 48 CYS H 1.0 . . . 40 40 A 49 ILE N A 49 ILE H 1.0 . . . 41 41 A 50 ASN N A 50 ASN H 1.0 . . . 42 42 A 51 CYS N A 51 CYS H 1.0 . . . 43 43 A 52 ALA N A 52 ALA H 1.0 . . . stop_ save_