data_nef_c19312_2m9w 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 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 37 CYS SG 2 1 ZN ZN 1 13 CYS SG 2 1 ZN ZN 1 16 CYS SG 2 1 ZN ZN 1 34 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 HIS middle . . 3 A 3 MET middle . . 4 A 4 SER middle . . 5 A 5 ALA middle . . 6 A 6 SER middle . . 7 A 7 ARG middle . . 8 A 8 ARG middle . . 9 A 9 VAL middle . . 10 A 10 GLY middle . false 11 A 11 LEU middle . . 12 A 12 SER middle . . 13 A 13 CYS middle -HG . 14 A 14 ALA middle . . 15 A 15 ASN middle . . 16 A 16 CYS middle -HG . 17 A 17 GLN middle . . 18 A 18 THR middle . . 19 A 19 THR middle . . 20 A 20 THR middle . . 21 A 21 THR middle . . 22 A 22 THR middle . . 23 A 23 LEU middle . . 24 A 24 TRP middle . . 25 A 25 ARG middle . . 26 A 26 ARG middle . . 27 A 27 ASN middle . . 28 A 28 ALA middle . . 29 A 29 GLU middle . . 30 A 30 GLY middle . false 31 A 31 GLU middle . . 32 A 32 PRO middle . false 33 A 33 VAL middle . . 34 A 34 CYS middle -HG . 35 A 35 ASN middle . . 36 A 36 ALA middle . . 37 A 37 CYS middle -HG . 38 A 38 GLY middle . false 39 A 39 LEU middle . . 40 A 40 TYR middle . . 41 A 41 MET middle . . 42 A 42 LYS middle . . 43 A 43 LEU middle . . 44 A 44 HIS middle . . 45 A 45 GLY middle . false 46 A 46 VAL middle . . 47 A 47 PRO middle . false 48 A 48 ARG middle . . 49 A 49 PRO middle . false 50 A 50 LEU middle . . 51 A 51 ALA middle . . 52 A 52 MET middle . . 53 A 53 ARG middle . . 54 A 54 LYS middle . . 55 A 55 GLU middle . . 56 A 56 GLY middle . false 57 A 57 ILE middle . . 58 A 58 GLN middle . . 59 A 59 THR middle . . 60 A 60 ARG middle . . 61 A 61 LYS middle . . 62 A 62 ARG middle . . 63 A 63 LYS end . . 64 B 1 ZN . . . stop_ save_ save_hr4783b.str _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode hr4783b.str 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 HIS HD2 H 1 7.002 0.02 A 2 HIS HE1 H 1 7.770 0.02 A 2 HIS CD2 C 13 119.600 0.4 A 2 HIS CE1 C 13 138.733 0.4 A 2 HIS ND1 N 15 228.600 0.4 A 2 HIS NE2 N 15 178.943 0.4 A 3 MET HA H 1 4.446 0.02 A 3 MET HB2 H 1 2.396 0.02 A 3 MET HB3 H 1 2.396 0.02 A 3 MET HE% H 1 2.068 0.02 A 3 MET HGy H 1 2.492 0.02 A 3 MET HGx H 1 2.416 0.02 A 3 MET CA C 13 55.519 0.4 A 3 MET CB C 13 31.326 0.4 A 3 MET CE C 13 16.759 0.4 A 3 MET CG C 13 31.738 0.4 A 5 ALA HA H 1 4.331 0.02 A 5 ALA HB% H 1 1.418 0.02 A 5 ALA CA C 13 52.790 0.4 A 5 ALA CB C 13 18.994 0.4 A 6 SER H H 1 8.188 0.02 A 6 SER HA H 1 4.396 0.02 A 6 SER HB2 H 1 3.860 0.02 A 6 SER HB3 H 1 3.860 0.02 A 6 SER C C 13 174.599 0.4 A 6 SER CA C 13 58.426 0.4 A 6 SER CB C 13 63.600 0.4 A 6 SER N N 15 114.306 0.4 A 7 ARG H H 1 8.174 0.02 A 7 ARG C C 13 173.973 0.4 A 7 ARG CA C 13 55.973 0.4 A 7 ARG CB C 13 30.636 0.4 A 7 ARG CD C 13 43.300 0.4 A 7 ARG N N 15 122.597 0.4 A 8 ARG H H 1 8.310 0.02 A 8 ARG HA H 1 4.345 0.02 A 8 ARG C C 13 176.078 0.4 A 8 ARG CA C 13 55.944 0.4 A 8 ARG CB C 13 30.600 0.4 A 8 ARG CD C 13 43.300 0.4 A 8 ARG N N 15 122.661 0.4 A 9 VAL H H 1 8.044 0.02 A 9 VAL HA H 1 4.143 0.02 A 9 VAL HB H 1 2.053 0.02 A 9 VAL HG1% H 1 0.912 0.02 A 9 VAL HG2% H 1 0.918 0.02 A 9 VAL C C 13 176.228 0.4 A 9 VAL CA C 13 61.926 0.4 A 9 VAL CB C 13 32.884 0.4 A 9 VAL CG1 C 13 20.979 0.4 A 9 VAL CG2 C 13 20.229 0.4 A 9 VAL N N 15 120.364 0.4 A 10 GLY H H 1 8.359 0.02 A 10 GLY HA2 H 1 3.888 0.02 A 10 GLY HA3 H 1 3.888 0.02 A 10 GLY C C 13 173.297 0.4 A 10 GLY CA C 13 44.861 0.4 A 10 GLY N N 15 112.431 0.4 A 11 LEU H H 1 7.791 0.02 A 11 LEU HA H 1 4.020 0.02 A 11 LEU HBx H 1 0.284 0.02 A 11 LEU HBy H 1 0.758 0.02 A 11 LEU HD1% H 1 0.103 0.02 A 11 LEU HD2% H 1 0.267 0.02 A 11 LEU HG H 1 0.933 0.02 A 11 LEU C C 13 175.329 0.4 A 11 LEU CA C 13 54.681 0.4 A 11 LEU CB C 13 41.985 0.4 A 11 LEU CD1 C 13 23.775 0.4 A 11 LEU CD2 C 13 22.993 0.4 A 11 LEU CG C 13 26.347 0.4 A 11 LEU N N 15 122.163 0.4 A 12 SER H H 1 7.370 0.02 A 12 SER HA H 1 5.008 0.02 A 12 SER HBx H 1 3.454 0.02 A 12 SER HBy H 1 3.533 0.02 A 12 SER C C 13 172.984 0.4 A 12 SER CA C 13 56.015 0.4 A 12 SER CB C 13 65.417 0.4 A 12 SER N N 15 113.571 0.4 A 13 CYS H H 1 8.847 0.02 A 13 CYS HA H 1 4.436 0.02 A 13 CYS HB2 H 1 3.017 0.02 A 13 CYS HB3 H 1 3.486 0.02 A 13 CYS C C 13 177.379 0.4 A 13 CYS CA C 13 59.612 0.4 A 13 CYS CB C 13 31.140 0.4 A 13 CYS N N 15 123.033 0.4 A 14 ALA H H 1 9.562 0.02 A 14 ALA HA H 1 4.166 0.02 A 14 ALA HB% H 1 1.443 0.02 A 14 ALA C C 13 177.542 0.4 A 14 ALA CA C 13 55.009 0.4 A 14 ALA CB C 13 18.984 0.4 A 14 ALA N N 15 133.515 0.4 A 15 ASN H H 1 9.082 0.02 A 15 ASN HA H 1 4.982 0.02 A 15 ASN HB2 H 1 2.696 0.02 A 15 ASN HB3 H 1 3.517 0.02 A 15 ASN HD21 H 1 8.712 0.02 A 15 ASN HD22 H 1 7.603 0.02 A 15 ASN C C 13 174.972 0.4 A 15 ASN CA C 13 55.785 0.4 A 15 ASN CB C 13 40.025 0.4 A 15 ASN N N 15 116.510 0.4 A 15 ASN ND2 N 15 118.438 0.4 A 16 CYS H H 1 8.754 0.02 A 16 CYS HA H 1 4.915 0.02 A 16 CYS HBy H 1 3.284 0.02 A 16 CYS HBx H 1 2.434 0.02 A 16 CYS C C 13 176.148 0.4 A 16 CYS CA C 13 59.148 0.4 A 16 CYS CB C 13 33.675 0.4 A 16 CYS N N 15 118.086 0.4 A 17 GLN H H 1 8.154 0.02 A 17 GLN HA H 1 4.283 0.02 A 17 GLN HBx H 1 2.369 0.02 A 17 GLN HBy H 1 2.501 0.02 A 17 GLN HE2y H 1 7.240 0.02 A 17 GLN HE2x H 1 6.507 0.02 A 17 GLN HG2 H 1 2.268 0.02 A 17 GLN HG3 H 1 2.268 0.02 A 17 GLN C C 13 175.056 0.4 A 17 GLN CA C 13 58.268 0.4 A 17 GLN CB C 13 25.963 0.4 A 17 GLN CG C 13 34.462 0.4 A 17 GLN N N 15 115.957 0.4 A 17 GLN NE2 N 15 112.208 0.4 A 18 THR H H 1 8.570 0.02 A 18 THR HA H 1 4.572 0.02 A 18 THR HB H 1 4.609 0.02 A 18 THR HG2% H 1 1.183 0.02 A 18 THR C C 13 173.541 0.4 A 18 THR CA C 13 63.333 0.4 A 18 THR CB C 13 68.470 0.4 A 18 THR CG2 C 13 21.965 0.4 A 18 THR N N 15 116.736 0.4 A 19 THR H H 1 8.210 0.02 A 19 THR HA H 1 5.110 0.02 A 19 THR HB H 1 4.763 0.02 A 19 THR HG2% H 1 1.338 0.02 A 19 THR C C 13 175.052 0.4 A 19 THR CA C 13 61.201 0.4 A 19 THR CB C 13 69.800 0.4 A 19 THR CG2 C 13 21.482 0.4 A 19 THR N N 15 112.629 0.4 A 20 THR H H 1 8.289 0.02 A 20 THR HA H 1 4.806 0.02 A 20 THR HB H 1 4.006 0.02 A 20 THR HG2% H 1 1.152 0.02 A 20 THR C C 13 171.976 0.4 A 20 THR CA C 13 60.247 0.4 A 20 THR CB C 13 70.586 0.4 A 20 THR CG2 C 13 20.655 0.4 A 20 THR N N 15 117.956 0.4 A 21 THR H H 1 7.935 0.02 A 21 THR HA H 1 4.473 0.02 A 21 THR HB H 1 3.721 0.02 A 21 THR HG2% H 1 -0.757 0.02 A 21 THR CA C 13 60.102 0.4 A 21 THR CB C 13 67.491 0.4 A 21 THR CG2 C 13 15.353 0.4 A 21 THR N N 15 117.356 0.4 A 22 THR HA H 1 4.146 0.02 A 22 THR HB H 1 4.188 0.02 A 22 THR HG2% H 1 1.227 0.02 A 22 THR C C 13 174.768 0.4 A 22 THR CA C 13 62.686 0.4 A 22 THR CB C 13 68.860 0.4 A 22 THR CG2 C 13 22.275 0.4 A 23 LEU H H 1 6.977 0.02 A 23 LEU HA H 1 4.335 0.02 A 23 LEU HB2 H 1 1.442 0.02 A 23 LEU HB3 H 1 1.442 0.02 A 23 LEU HD1% H 1 0.922 0.02 A 23 LEU HD2% H 1 0.771 0.02 A 23 LEU HG H 1 1.346 0.02 A 23 LEU C C 13 173.967 0.4 A 23 LEU CA C 13 55.281 0.4 A 23 LEU CB C 13 44.591 0.4 A 23 LEU CD1 C 13 23.787 0.4 A 23 LEU CD2 C 13 25.200 0.4 A 23 LEU CG C 13 26.974 0.4 A 23 LEU N N 15 123.337 0.4 A 24 TRP H H 1 8.410 0.02 A 24 TRP HA H 1 4.634 0.02 A 24 TRP HB2 H 1 3.024 0.02 A 24 TRP HB3 H 1 3.141 0.02 A 24 TRP HD1 H 1 7.179 0.02 A 24 TRP HE1 H 1 9.993 0.02 A 24 TRP HE3 H 1 7.295 0.02 A 24 TRP HH2 H 1 7.071 0.02 A 24 TRP HZ2 H 1 7.053 0.02 A 24 TRP HZ3 H 1 6.317 0.02 A 24 TRP C C 13 176.694 0.4 A 24 TRP CA C 13 57.089 0.4 A 24 TRP CB C 13 29.782 0.4 A 24 TRP CD1 C 13 126.693 0.4 A 24 TRP CE3 C 13 120.108 0.4 A 24 TRP CH2 C 13 123.425 0.4 A 24 TRP CZ2 C 13 114.469 0.4 A 24 TRP CZ3 C 13 119.269 0.4 A 24 TRP N N 15 124.656 0.4 A 24 TRP NE1 N 15 128.070 0.4 A 25 ARG H H 1 9.147 0.02 A 25 ARG HA H 1 4.659 0.02 A 25 ARG HB2 H 1 1.411 0.02 A 25 ARG HB3 H 1 2.032 0.02 A 25 ARG HDx H 1 3.079 0.02 A 25 ARG HDy H 1 3.258 0.02 A 25 ARG HGx H 1 1.495 0.02 A 25 ARG HGy H 1 1.638 0.02 A 25 ARG C C 13 175.388 0.4 A 25 ARG CA C 13 54.300 0.4 A 25 ARG CB C 13 32.756 0.4 A 25 ARG CD C 13 43.676 0.4 A 25 ARG CG C 13 29.090 0.4 A 25 ARG N N 15 124.317 0.4 A 26 ARG H H 1 8.329 0.02 A 26 ARG HA H 1 5.375 0.02 A 26 ARG HBx H 1 1.622 0.02 A 26 ARG HBy H 1 1.708 0.02 A 26 ARG HD2 H 1 3.014 0.02 A 26 ARG HD3 H 1 3.014 0.02 A 26 ARG HGx H 1 1.485 0.02 A 26 ARG HGy H 1 1.623 0.02 A 26 ARG C C 13 176.947 0.4 A 26 ARG CA C 13 54.256 0.4 A 26 ARG CB C 13 33.981 0.4 A 26 ARG CD C 13 43.297 0.4 A 26 ARG CG C 13 26.586 0.4 A 26 ARG N N 15 119.065 0.4 A 27 ASN H H 1 8.852 0.02 A 27 ASN HA H 1 4.854 0.02 A 27 ASN HB2 H 1 3.619 0.02 A 27 ASN HB3 H 1 2.868 0.02 A 27 ASN HD21 H 1 7.499 0.02 A 27 ASN HD22 H 1 7.769 0.02 A 27 ASN C C 13 177.469 0.4 A 27 ASN CA C 13 50.644 0.4 A 27 ASN CB C 13 38.667 0.4 A 27 ASN N N 15 121.087 0.4 A 27 ASN ND2 N 15 111.725 0.4 A 28 ALA H H 1 8.565 0.02 A 28 ALA HA H 1 4.100 0.02 A 28 ALA HB% H 1 1.457 0.02 A 28 ALA C C 13 178.729 0.4 A 28 ALA CA C 13 54.930 0.4 A 28 ALA CB C 13 18.157 0.4 A 28 ALA N N 15 121.634 0.4 A 29 GLU H H 1 7.670 0.02 A 29 GLU HA H 1 4.322 0.02 A 29 GLU HB2 H 1 2.016 0.02 A 29 GLU HB3 H 1 2.236 0.02 A 29 GLU HGx H 1 2.193 0.02 A 29 GLU HGy H 1 2.341 0.02 A 29 GLU C C 13 176.463 0.4 A 29 GLU CA C 13 56.619 0.4 A 29 GLU CB C 13 29.211 0.4 A 29 GLU CG C 13 37.087 0.4 A 29 GLU N N 15 115.497 0.4 A 30 GLY H H 1 8.186 0.02 A 30 GLY HAy H 1 4.271 0.02 A 30 GLY HAx H 1 3.600 0.02 A 30 GLY C C 13 174.292 0.4 A 30 GLY CA C 13 45.254 0.4 A 30 GLY N N 15 107.426 0.4 A 31 GLU H H 1 8.250 0.02 A 31 GLU HA H 1 4.624 0.02 A 31 GLU HB2 H 1 1.896 0.02 A 31 GLU HB3 H 1 2.058 0.02 A 31 GLU HGx H 1 2.112 0.02 A 31 GLU HGy H 1 2.256 0.02 A 31 GLU C C 13 174.006 0.4 A 31 GLU CA C 13 53.489 0.4 A 31 GLU CB C 13 29.221 0.4 A 31 GLU CG C 13 36.004 0.4 A 31 GLU N N 15 122.429 0.4 A 32 PRO HA H 1 5.010 0.02 A 32 PRO HBx H 1 1.788 0.02 A 32 PRO HBy H 1 1.885 0.02 A 32 PRO HD2 H 1 3.799 0.02 A 32 PRO HD3 H 1 3.799 0.02 A 32 PRO HGx H 1 1.774 0.02 A 32 PRO HGy H 1 2.254 0.02 A 32 PRO C C 13 176.167 0.4 A 32 PRO CA C 13 62.722 0.4 A 32 PRO CB C 13 32.031 0.4 A 32 PRO CD C 13 50.240 0.4 A 32 PRO CG C 13 27.571 0.4 A 33 VAL H H 1 8.513 0.02 A 33 VAL HA H 1 5.741 0.02 A 33 VAL HB H 1 2.236 0.02 A 33 VAL HG1% H 1 1.157 0.02 A 33 VAL HG2% H 1 0.751 0.02 A 33 VAL C C 13 174.756 0.4 A 33 VAL CA C 13 58.759 0.4 A 33 VAL CB C 13 36.799 0.4 A 33 VAL CG1 C 13 23.113 0.4 A 33 VAL CG2 C 13 19.164 0.4 A 33 VAL N N 15 114.800 0.4 A 34 CYS H H 1 9.818 0.02 A 34 CYS HA H 1 4.225 0.02 A 34 CYS HBx H 1 2.464 0.02 A 34 CYS HBy H 1 2.990 0.02 A 34 CYS C C 13 174.890 0.4 A 34 CYS CA C 13 57.946 0.4 A 34 CYS CB C 13 31.054 0.4 A 34 CYS N N 15 121.864 0.4 A 35 ASN H H 1 7.848 0.02 A 35 ASN HA H 1 4.084 0.02 A 35 ASN HBx H 1 2.710 0.02 A 35 ASN HBy H 1 3.234 0.02 A 35 ASN HD2y H 1 7.531 0.02 A 35 ASN HD2x H 1 6.925 0.02 A 35 ASN C C 13 176.491 0.4 A 35 ASN CA C 13 57.609 0.4 A 35 ASN CB C 13 39.471 0.4 A 35 ASN N N 15 118.528 0.4 A 35 ASN ND2 N 15 114.250 0.4 A 36 ALA H H 1 8.173 0.02 A 36 ALA HA H 1 4.138 0.02 A 36 ALA HB% H 1 1.514 0.02 A 36 ALA C C 13 181.983 0.4 A 36 ALA CA C 13 55.564 0.4 A 36 ALA CB C 13 18.382 0.4 A 36 ALA N N 15 119.132 0.4 A 37 CYS H H 1 9.277 0.02 A 37 CYS HA H 1 4.014 0.02 A 37 CYS HB2 H 1 3.146 0.02 A 37 CYS HB3 H 1 3.300 0.02 A 37 CYS C C 13 179.567 0.4 A 37 CYS CA C 13 65.467 0.4 A 37 CYS CB C 13 28.909 0.4 A 37 CYS N N 15 122.296 0.4 A 38 GLY H H 1 9.307 0.02 A 38 GLY HAy H 1 3.920 0.02 A 38 GLY HAx H 1 3.528 0.02 A 38 GLY C C 13 176.325 0.4 A 38 GLY CA C 13 47.455 0.4 A 38 GLY N N 15 109.645 0.4 A 39 LEU H H 1 8.744 0.02 A 39 LEU HA H 1 4.064 0.02 A 39 LEU HB2 H 1 1.773 0.02 A 39 LEU HB3 H 1 1.517 0.02 A 39 LEU HD1% H 1 0.850 0.02 A 39 LEU HD2% H 1 0.838 0.02 A 39 LEU HG H 1 1.662 0.02 A 39 LEU C C 13 178.462 0.4 A 39 LEU CA C 13 57.752 0.4 A 39 LEU CB C 13 41.782 0.4 A 39 LEU CD1 C 13 24.821 0.4 A 39 LEU CD2 C 13 23.072 0.4 A 39 LEU CG C 13 26.829 0.4 A 39 LEU N N 15 123.534 0.4 A 40 TYR H H 1 7.838 0.02 A 40 TYR HA H 1 4.079 0.02 A 40 TYR HB2 H 1 3.208 0.02 A 40 TYR HB3 H 1 3.208 0.02 A 40 TYR HD1 H 1 7.327 0.02 A 40 TYR HD2 H 1 7.327 0.02 A 40 TYR HE1 H 1 6.603 0.02 A 40 TYR HE2 H 1 6.603 0.02 A 40 TYR C C 13 178.192 0.4 A 40 TYR CA C 13 62.219 0.4 A 40 TYR CB C 13 39.741 0.4 A 40 TYR CD1 C 13 133.838 0.4 A 40 TYR CD2 C 13 133.838 0.4 A 40 TYR CE1 C 13 118.521 0.4 A 40 TYR CE2 C 13 118.521 0.4 A 40 TYR N N 15 119.827 0.4 A 41 MET H H 1 7.848 0.02 A 41 MET HA H 1 4.532 0.02 A 41 MET HBy H 1 2.242 0.02 A 41 MET HBx H 1 2.219 0.02 A 41 MET HE% H 1 2.044 0.02 A 41 MET HGx H 1 2.434 0.02 A 41 MET HGy H 1 2.803 0.02 A 41 MET C C 13 179.203 0.4 A 41 MET CA C 13 57.683 0.4 A 41 MET CB C 13 31.780 0.4 A 41 MET CE C 13 17.383 0.4 A 41 MET CG C 13 32.230 0.4 A 41 MET N N 15 117.089 0.4 A 42 LYS H H 1 7.795 0.02 A 42 LYS HA H 1 4.021 0.02 A 42 LYS HBy H 1 1.953 0.02 A 42 LYS HBx H 1 1.932 0.02 A 42 LYS HDy H 1 1.680 0.02 A 42 LYS HDx H 1 1.628 0.02 A 42 LYS HE2 H 1 2.981 0.02 A 42 LYS HE3 H 1 2.981 0.02 A 42 LYS HGx H 1 1.408 0.02 A 42 LYS HGy H 1 1.503 0.02 A 42 LYS C C 13 177.902 0.4 A 42 LYS CA C 13 58.892 0.4 A 42 LYS CB C 13 32.333 0.4 A 42 LYS CD C 13 29.022 0.4 A 42 LYS CE C 13 41.879 0.4 A 42 LYS CG C 13 24.607 0.4 A 42 LYS N N 15 120.513 0.4 A 43 LEU H H 1 7.780 0.02 A 43 LEU HA H 1 4.030 0.02 A 43 LEU HB2 H 1 1.300 0.02 A 43 LEU HB3 H 1 0.901 0.02 A 43 LEU HD1% H 1 0.725 0.02 A 43 LEU HD2% H 1 0.652 0.02 A 43 LEU HG H 1 1.165 0.02 A 43 LEU C C 13 178.555 0.4 A 43 LEU CA C 13 56.779 0.4 A 43 LEU CB C 13 42.406 0.4 A 43 LEU CD1 C 13 23.980 0.4 A 43 LEU CD2 C 13 23.391 0.4 A 43 LEU CG C 13 26.544 0.4 A 43 LEU N N 15 117.559 0.4 A 44 HIS H H 1 8.367 0.02 A 44 HIS HA H 1 4.653 0.02 A 44 HIS HB2 H 1 2.694 0.02 A 44 HIS HB3 H 1 3.067 0.02 A 44 HIS HD2 H 1 5.524 0.02 A 44 HIS HE1 H 1 7.629 0.02 A 44 HIS C C 13 176.699 0.4 A 44 HIS CA C 13 56.739 0.4 A 44 HIS CB C 13 31.966 0.4 A 44 HIS CD2 C 13 120.819 0.4 A 44 HIS CE1 C 13 137.907 0.4 A 44 HIS N N 15 113.809 0.4 A 45 GLY H H 1 8.534 0.02 A 45 GLY HAx H 1 3.930 0.02 A 45 GLY HAy H 1 4.151 0.02 A 45 GLY C C 13 172.853 0.4 A 45 GLY CA C 13 46.083 0.4 A 45 GLY N N 15 108.589 0.4 A 46 VAL H H 1 7.365 0.02 A 46 VAL HA H 1 4.762 0.02 A 46 VAL HB H 1 2.323 0.02 A 46 VAL HG1% H 1 1.027 0.02 A 46 VAL HG2% H 1 0.911 0.02 A 46 VAL C C 13 171.867 0.4 A 46 VAL CA C 13 57.556 0.4 A 46 VAL CB C 13 33.456 0.4 A 46 VAL CG1 C 13 22.080 0.4 A 46 VAL CG2 C 13 18.604 0.4 A 46 VAL N N 15 112.990 0.4 A 47 PRO HA H 1 4.615 0.02 A 47 PRO HBy H 1 2.187 0.02 A 47 PRO HBx H 1 1.741 0.02 A 47 PRO HD2 H 1 3.639 0.02 A 47 PRO HD3 H 1 3.756 0.02 A 47 PRO HGx H 1 1.922 0.02 A 47 PRO HGy H 1 2.012 0.02 A 47 PRO C C 13 176.310 0.4 A 47 PRO CA C 13 61.715 0.4 A 47 PRO CB C 13 32.124 0.4 A 47 PRO CD C 13 50.352 0.4 A 47 PRO CG C 13 27.596 0.4 A 48 ARG H H 1 8.759 0.02 A 48 ARG HA H 1 3.134 0.02 A 48 ARG HB2 H 1 1.147 0.02 A 48 ARG HB3 H 1 1.687 0.02 A 48 ARG HDx H 1 2.881 0.02 A 48 ARG HDy H 1 3.262 0.02 A 48 ARG HGx H 1 0.788 0.02 A 48 ARG HGy H 1 1.247 0.02 A 48 ARG C C 13 174.677 0.4 A 48 ARG CA C 13 54.500 0.4 A 48 ARG CB C 13 32.836 0.4 A 48 ARG CD C 13 43.910 0.4 A 48 ARG CG C 13 27.210 0.4 A 48 ARG N N 15 123.227 0.4 A 49 PRO HA H 1 4.311 0.02 A 49 PRO HBy H 1 2.187 0.02 A 49 PRO HBx H 1 1.776 0.02 A 49 PRO HDx H 1 2.905 0.02 A 49 PRO HDy H 1 3.643 0.02 A 49 PRO HG2 H 1 1.884 0.02 A 49 PRO HG3 H 1 1.884 0.02 A 49 PRO C C 13 176.503 0.4 A 49 PRO CA C 13 62.433 0.4 A 49 PRO CB C 13 32.063 0.4 A 49 PRO CD C 13 51.761 0.4 A 49 PRO CG C 13 27.150 0.4 A 50 LEU H H 1 8.282 0.02 A 50 LEU HA H 1 4.279 0.02 A 50 LEU HB2 H 1 1.592 0.02 A 50 LEU HB3 H 1 1.512 0.02 A 50 LEU HD1% H 1 0.870 0.02 A 50 LEU HD2% H 1 0.724 0.02 A 50 LEU HG H 1 1.675 0.02 A 50 LEU C C 13 177.387 0.4 A 50 LEU CA C 13 54.535 0.4 A 50 LEU CB C 13 42.345 0.4 A 50 LEU CD1 C 13 25.195 0.4 A 50 LEU CD2 C 13 23.014 0.4 A 50 LEU CG C 13 26.725 0.4 A 50 LEU N N 15 122.599 0.4 A 51 ALA H H 1 8.202 0.02 A 51 ALA HA H 1 4.246 0.02 A 51 ALA HB% H 1 1.345 0.02 A 51 ALA C C 13 177.611 0.4 A 51 ALA CA C 13 52.471 0.4 A 51 ALA CB C 13 18.978 0.4 A 51 ALA N N 15 123.340 0.4 A 52 MET H H 1 8.161 0.02 A 52 MET HA H 1 4.414 0.02 A 52 MET HBx H 1 1.954 0.02 A 52 MET HBy H 1 2.048 0.02 A 52 MET HE% H 1 2.094 0.02 A 52 MET C C 13 175.998 0.4 A 52 MET CA C 13 55.392 0.4 A 52 MET CB C 13 32.700 0.4 A 52 MET CE C 13 17.079 0.4 A 52 MET N N 15 118.463 0.4 A 53 ARG H H 1 8.234 0.02 A 53 ARG HA H 1 4.331 0.02 A 53 ARG HB2 H 1 1.764 0.02 A 53 ARG HB3 H 1 1.764 0.02 A 53 ARG C C 13 176.025 0.4 A 53 ARG CA C 13 56.000 0.4 A 53 ARG CB C 13 30.547 0.4 A 53 ARG N N 15 122.298 0.4 A 54 LYS H H 1 8.377 0.02 A 54 LYS HA H 1 4.294 0.02 A 54 LYS HBx H 1 1.750 0.02 A 54 LYS HBy H 1 1.823 0.02 A 54 LYS HD2 H 1 1.680 0.02 A 54 LYS HD3 H 1 1.680 0.02 A 54 LYS HE2 H 1 2.997 0.02 A 54 LYS HE3 H 1 2.997 0.02 A 54 LYS HGx H 1 1.418 0.02 A 54 LYS HGy H 1 1.448 0.02 A 54 LYS C C 13 176.467 0.4 A 54 LYS CA C 13 56.354 0.4 A 54 LYS CB C 13 32.904 0.4 A 54 LYS CD C 13 29.082 0.4 A 54 LYS CE C 13 42.025 0.4 A 54 LYS CG C 13 24.580 0.4 A 54 LYS N N 15 123.180 0.4 A 55 GLU H H 1 8.509 0.02 A 55 GLU HA H 1 4.302 0.02 A 55 GLU HBx H 1 1.947 0.02 A 55 GLU HBy H 1 2.056 0.02 A 55 GLU HG2 H 1 2.273 0.02 A 55 GLU HG3 H 1 2.273 0.02 A 55 GLU C C 13 176.868 0.4 A 55 GLU CA C 13 56.580 0.4 A 55 GLU CB C 13 30.242 0.4 A 55 GLU CG C 13 36.099 0.4 A 55 GLU N N 15 121.942 0.4 A 56 GLY H H 1 8.409 0.02 A 56 GLY HA2 H 1 3.971 0.02 A 56 GLY HA3 H 1 3.971 0.02 A 56 GLY C C 13 174.144 0.4 A 56 GLY CA C 13 45.117 0.4 A 56 GLY N N 15 109.694 0.4 A 57 ILE H H 1 8.025 0.02 A 57 ILE HA H 1 4.151 0.02 A 57 ILE HB H 1 1.863 0.02 A 57 ILE HD1% H 1 0.860 0.02 A 57 ILE HG1x H 1 1.184 0.02 A 57 ILE HG1y H 1 1.454 0.02 A 57 ILE HG2% H 1 0.900 0.02 A 57 ILE C C 13 176.529 0.4 A 57 ILE CA C 13 61.303 0.4 A 57 ILE CB C 13 38.606 0.4 A 57 ILE CD1 C 13 12.873 0.4 A 57 ILE CG1 C 13 27.256 0.4 A 57 ILE CG2 C 13 17.415 0.4 A 57 ILE N N 15 119.901 0.4 A 58 GLN H H 1 8.550 0.02 A 58 GLN HA H 1 4.411 0.02 A 58 GLN HBx H 1 2.006 0.02 A 58 GLN HBy H 1 2.122 0.02 A 58 GLN HE2x H 1 6.870 0.02 A 58 GLN HE2y H 1 7.517 0.02 A 58 GLN HG2 H 1 2.382 0.02 A 58 GLN HG3 H 1 2.382 0.02 A 58 GLN C C 13 176.143 0.4 A 58 GLN CA C 13 55.731 0.4 A 58 GLN CB C 13 29.258 0.4 A 58 GLN CG C 13 33.696 0.4 A 58 GLN N N 15 124.003 0.4 A 58 GLN NE2 N 15 112.406 0.4 A 59 THR H H 1 8.171 0.02 A 59 THR HA H 1 4.296 0.02 A 59 THR HB H 1 4.197 0.02 A 59 THR HG2% H 1 1.196 0.02 A 59 THR C C 13 174.411 0.4 A 59 THR CA C 13 61.953 0.4 A 59 THR CB C 13 69.586 0.4 A 59 THR CG2 C 13 21.626 0.4 A 59 THR N N 15 115.836 0.4 A 60 ARG H H 1 8.301 0.02 A 60 ARG HA H 1 4.350 0.02 A 60 ARG HBx H 1 1.762 0.02 A 60 ARG HBy H 1 1.859 0.02 A 60 ARG HD2 H 1 3.192 0.02 A 60 ARG HD3 H 1 3.192 0.02 A 60 ARG HGy H 1 1.644 0.02 A 60 ARG HGx H 1 1.585 0.02 A 60 ARG C C 13 176.071 0.4 A 60 ARG CA C 13 55.927 0.4 A 60 ARG CB C 13 30.731 0.4 A 60 ARG CD C 13 43.274 0.4 A 60 ARG CG C 13 26.988 0.4 A 60 ARG N N 15 123.534 0.4 A 61 LYS H H 1 8.146 0.02 A 61 LYS HA H 1 4.298 0.02 A 61 LYS HBx H 1 1.750 0.02 A 61 LYS HBy H 1 1.823 0.02 A 61 LYS C C 13 176.325 0.4 A 61 LYS CA C 13 56.296 0.4 A 61 LYS CB C 13 32.917 0.4 A 61 LYS CE C 13 42.100 0.4 A 61 LYS N N 15 121.266 0.4 A 62 ARG H H 1 8.391 0.02 A 62 ARG HA H 1 4.328 0.02 A 62 ARG HBx H 1 1.761 0.02 A 62 ARG HBy H 1 1.879 0.02 A 62 ARG HD2 H 1 3.190 0.02 A 62 ARG HD3 H 1 3.190 0.02 A 62 ARG HGx H 1 1.584 0.02 A 62 ARG HGy H 1 1.643 0.02 A 62 ARG C C 13 175.275 0.4 A 62 ARG CA C 13 56.082 0.4 A 62 ARG CB C 13 30.929 0.4 A 62 ARG CD C 13 43.284 0.4 A 62 ARG CG C 13 26.977 0.4 A 62 ARG N N 15 123.156 0.4 A 63 LYS H H 1 7.980 0.02 A 63 LYS HA H 1 4.119 0.02 A 63 LYS HBx H 1 1.712 0.02 A 63 LYS HBy H 1 1.794 0.02 A 63 LYS HD2 H 1 1.682 0.02 A 63 LYS HD3 H 1 1.682 0.02 A 63 LYS HE2 H 1 2.996 0.02 A 63 LYS HE3 H 1 2.996 0.02 A 63 LYS HG2 H 1 1.402 0.02 A 63 LYS HG3 H 1 1.402 0.02 A 63 LYS C C 13 181.193 0.4 A 63 LYS CA C 13 57.713 0.4 A 63 LYS CB C 13 33.490 0.4 A 63 LYS CD C 13 29.026 0.4 A 63 LYS CE C 13 42.005 0.4 A 63 LYS CG C 13 24.635 0.4 A 63 LYS N N 15 127.741 0.4 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 49 PRO HA A 50 LEU H 1.0 0.0 3.03 2 2 A 50 LEU H A 50 LEU HB2 1.0 0.0 3.46 3 3 A 11 LEU H A 10 GLY HA2 1.0 0.0 3.52 4 3 A 10 GLY HA3 A 11 LEU H 1.0 0.0 3.52 5 4 A 11 LEU H A 11 LEU HG 1.0 0.0 4.11 6 5 A 11 LEU H A 11 LEU HBy 1.0 0.0 4.34 7 6 A 11 LEU H A 11 LEU HBx 1.0 0.0 4.34 8 7 A 41 MET HA A 46 VAL H 1.0 0.0 3.86 9 8 A 46 VAL H A 46 VAL HG2% 1.0 0.0 3.33 10 9 A 11 LEU HD2% A 12 SER H 1.0 0.0 4.26 11 10 A 13 CYS H A 24 TRP HZ3 1.0 0.0 4.64 12 11 A 13 CYS H A 12 SER HA 1.0 0.0 3.19 13 12 A 13 CYS H A 17 GLN HA 1.0 0.0 4.37 14 13 A 13 CYS H A 13 CYS HB3 1.0 0.0 3.31 15 14 A 13 CYS H A 13 CYS HB2 1.0 0.0 3.64 16 15 A 14 ALA H A 33 VAL HA 1.0 0.0 3.95 17 16 A 14 ALA H A 33 VAL HG1% 1.0 0.0 3.99 18 17 A 15 ASN HB3 A 15 ASN HD21 1.0 0.0 3.69 19 18 A 15 ASN HD21 A 48 ARG HB3 1.0 0.0 4.15 20 19 A 14 ALA H A 15 ASN H 1.0 0.0 3.76 21 20 A 15 ASN H A 16 CYS H 1.0 0.0 3.35 22 21 A 13 CYS HB3 A 15 ASN H 1.0 0.0 3.99 23 22 A 15 ASN H A 15 ASN HB2 1.0 0.0 3.68 24 23 A 15 ASN H A 14 ALA HB% 1.0 0.0 3.85 25 24 A 33 VAL HG1% A 15 ASN H 1.0 0.0 3.79 26 25 A 15 ASN HB3 A 15 ASN HD22 1.0 0.0 4.04 27 26 A 48 ARG HB3 A 15 ASN HD22 1.0 0.0 3.74 28 27 A 15 ASN HD22 A 50 LEU HD2% 1.0 0.0 4.62 29 28 A 17 GLN HA A 16 CYS H 1.0 0.0 4.59 30 29 A 13 CYS HB3 A 16 CYS H 1.0 0.0 3.92 31 30 A 15 ASN HB3 A 16 CYS H 1.0 0.0 4.05 32 31 A 16 CYS H A 16 CYS HBy 1.0 0.0 4.18 33 32 A 16 CYS H A 15 ASN HB2 1.0 0.0 4.32 34 33 A 16 CYS H A 16 CYS HBx 1.0 0.0 4.18 35 34 A 15 ASN H A 17 GLN H 1.0 0.0 4.43 36 35 A 16 CYS H A 17 GLN H 1.0 0.0 3.29 37 36 A 17 GLN H A 18 THR H 1.0 0.0 3.91 38 37 A 17 GLN HA A 17 GLN H 1.0 0.0 2.92 39 38 A 13 CYS HB3 A 17 GLN H 1.0 0.0 3.49 40 39 A 13 CYS HB2 A 17 GLN H 1.0 0.0 4.25 41 40 A 59 THR H A 58 GLN HG2 1.0 0.0 4.69 42 40 A 58 GLN HG3 A 59 THR H 1.0 0.0 4.69 43 41 A 17 GLN H A 17 GLN HG2 1.0 0.0 3.79 44 41 A 17 GLN H A 17 GLN HG3 1.0 0.0 3.79 45 42 A 13 CYS HB3 A 18 THR H 1.0 0.0 3.62 46 43 A 13 CYS HB2 A 18 THR H 1.0 0.0 4.00 47 44 A 18 THR HA A 19 THR H 1.0 0.0 3.34 48 45 A 19 THR H A 19 THR HG2% 1.0 0.0 3.93 49 46 A 19 THR H A 18 THR HG2% 1.0 0.0 4.43 50 47 A 18 THR HA A 20 THR H 1.0 0.0 4.41 51 48 A 20 THR H A 20 THR HB 1.0 0.0 4.03 52 49 A 18 THR HG2% A 20 THR H 1.0 0.0 3.71 53 50 A 20 THR H A 20 THR HG2% 1.0 0.0 4.11 54 51 A 18 THR HG2% A 21 THR H 1.0 0.0 5.00 55 52 A 20 THR HG2% A 21 THR H 1.0 0.0 5.32 56 53 A 21 THR H A 21 THR HG2% 1.0 0.0 4.75 57 54 A 23 LEU HA A 24 TRP H 1.0 0.0 3.06 58 55 A 24 TRP H A 24 TRP HB2 1.0 0.0 3.46 59 56 A 24 TRP H A 23 LEU HB2 1.0 0.0 4.30 60 56 A 24 TRP H A 23 LEU HB3 1.0 0.0 4.30 61 57 A 24 TRP H A 23 LEU HG 1.0 0.0 4.18 62 58 A 21 THR HG2% A 24 TRP HE1 1.0 0.0 4.55 63 59 A 25 ARG HB3 A 26 ARG H 1.0 0.0 3.50 64 60 A 26 ARG H A 25 ARG HB2 1.0 0.0 3.99 65 61 A 26 ARG H A 33 VAL HG2% 1.0 0.0 4.65 66 62 A 27 ASN HB3 A 27 ASN HD22 1.0 0.0 4.24 67 63 A 27 ASN HD22 A 31 GLU HGy 1.0 0.0 4.68 68 64 A 27 ASN HD22 A 31 GLU HB3 1.0 0.0 3.91 69 65 A 27 ASN HD22 A 31 GLU HB2 1.0 0.0 3.56 70 66 A 27 ASN H A 31 GLU H 1.0 0.0 4.08 71 67 A 27 ASN H A 26 ARG HA 1.0 0.0 3.14 72 68 A 27 ASN H A 32 PRO HA 1.0 0.0 4.54 73 69 A 27 ASN H A 27 ASN HB2 1.0 0.0 4.19 74 70 A 27 ASN HB3 A 27 ASN H 1.0 0.0 3.90 75 71 A 33 VAL HG2% A 27 ASN H 1.0 0.0 4.26 76 72 A 27 ASN HB3 A 27 ASN HD21 1.0 0.0 3.65 77 73 A 31 GLU HB3 A 27 ASN HD21 1.0 0.0 4.38 78 74 A 31 GLU HB2 A 27 ASN HD21 1.0 0.0 4.05 79 75 A 33 VAL HG1% A 27 ASN HD21 1.0 0.0 4.07 80 76 A 29 GLU H A 30 GLY H 1.0 0.0 3.17 81 77 A 27 ASN HB2 A 29 GLU H 1.0 0.0 4.24 82 78 A 29 GLU H A 29 GLU HB3 1.0 0.0 4.23 83 79 A 29 GLU H A 29 GLU HGx 1.0 0.0 4.61 84 80 A 29 GLU H A 29 GLU HB2 1.0 0.0 3.22 85 81 A 29 GLU H A 28 ALA HB% 1.0 0.0 3.57 86 82 A 53 ARG H A 54 LYS H 1.0 0.0 4.35 87 83 A 31 GLU H A 29 GLU H 1.0 0.0 4.35 88 84 A 31 GLU H A 29 GLU HB3 1.0 0.0 4.28 89 85 A 31 GLU HB2 A 31 GLU H 1.0 0.0 3.37 90 86 A 14 ALA HB% A 31 GLU H 1.0 0.0 5.35 91 87 A 26 ARG HA A 33 VAL H 1.0 0.0 4.20 92 88 A 33 VAL HA A 34 CYS H 1.0 0.0 3.50 93 89 A 34 CYS H A 13 CYS HA 1.0 0.0 4.58 94 90 A 34 CYS H A 33 VAL HB 1.0 0.0 3.95 95 91 A 33 VAL HG1% A 34 CYS H 1.0 0.0 5.16 96 92 A 40 TYR H A 40 TYR HB2 1.0 0.0 2.92 97 92 A 40 TYR H A 40 TYR HB3 1.0 0.0 2.92 98 93 A 36 ALA H A 37 CYS H 1.0 0.0 3.84 99 94 A 36 ALA H A 35 ASN HBx 1.0 0.0 4.44 100 95 A 36 ALA H A 36 ALA HB% 1.0 0.0 3.11 101 96 A 37 CYS H A 37 CYS HB3 1.0 0.0 4.12 102 97 A 37 CYS H A 37 CYS HB2 1.0 0.0 3.58 103 98 A 37 CYS H A 36 ALA HB% 1.0 0.0 3.53 104 99 A 37 CYS HB2 A 38 GLY H 1.0 0.0 4.33 105 100 A 38 GLY H A 39 LEU H 1.0 0.0 3.76 106 101 A 47 PRO HA A 48 ARG H 1.0 0.0 3.20 107 102 A 39 LEU H A 39 LEU HB2 1.0 0.0 3.39 108 103 A 39 LEU H A 39 LEU HG 1.0 0.0 3.89 109 104 A 48 ARG HB3 A 48 ARG H 1.0 0.0 4.07 110 105 A 39 LEU H A 39 LEU HB3 1.0 0.0 3.74 111 106 A 48 ARG H A 48 ARG HB2 1.0 0.0 3.76 112 107 A 39 LEU H A 39 LEU HD1% 1.0 0.0 4.69 113 108 A 40 TYR H A 39 LEU H 1.0 0.0 3.39 114 109 A 40 TYR H A 39 LEU HB2 1.0 0.0 3.75 115 110 A 40 TYR H A 39 LEU HB3 1.0 0.0 3.93 116 111 A 41 MET H A 40 TYR HB2 1.0 0.0 3.42 117 111 A 40 TYR HB3 A 41 MET H 1.0 0.0 3.42 118 112 A 42 LYS H A 41 MET HBy 1.0 0.0 4.46 119 113 A 42 LYS H A 41 MET HBx 1.0 0.0 4.46 120 114 A 42 LYS H A 42 LYS HBy 1.0 0.0 3.63 121 115 A 42 LYS H A 42 LYS HBx 1.0 0.0 3.63 122 116 A 43 LEU H A 42 LYS HBy 1.0 0.0 4.54 123 117 A 43 LEU H A 43 LEU HB2 1.0 0.0 3.24 124 118 A 43 LEU H A 43 LEU HG 1.0 0.0 3.66 125 119 A 43 LEU H A 43 LEU HB3 1.0 0.0 3.53 126 120 A 43 LEU H A 43 LEU HD1% 1.0 0.0 4.70 127 121 A 43 LEU H A 43 LEU HD2% 1.0 0.0 5.17 128 122 A 44 HIS H A 45 GLY H 1.0 0.0 3.73 129 123 A 43 LEU H A 44 HIS H 1.0 0.0 3.48 130 124 A 44 HIS H A 40 TYR HD% 1.0 0.0 4.74 131 125 A 46 VAL H A 44 HIS H 1.0 0.0 5.27 132 126 A 44 HIS H A 44 HIS HD2 1.0 0.0 4.60 133 127 A 41 MET HA A 44 HIS H 1.0 0.0 4.48 134 128 A 44 HIS H A 40 TYR HA 1.0 0.0 4.57 135 129 A 44 HIS H A 44 HIS HB3 1.0 0.0 4.01 136 130 A 44 HIS H A 44 HIS HB2 1.0 0.0 3.58 137 131 A 43 LEU HB2 A 44 HIS H 1.0 0.0 3.99 138 132 A 43 LEU HB3 A 44 HIS H 1.0 0.0 3.96 139 133 A 46 VAL H A 45 GLY H 1.0 0.0 4.01 140 134 A 41 MET HA A 45 GLY H 1.0 0.0 4.29 141 135 A 46 VAL H A 44 HIS HB2 1.0 0.0 4.51 142 136 A 46 VAL H A 46 VAL HG1% 1.0 0.0 4.17 143 137 A 15 ASN HD22 A 48 ARG H 1.0 0.0 4.46 144 138 A 48 ARG H A 40 TYR HD% 1.0 0.0 4.34 145 139 A 48 ARG H A 47 PRO HBy 1.0 0.0 4.58 146 140 A 50 LEU H A 49 PRO HBx 1.0 0.0 4.26 147 141 A 50 LEU H A 50 LEU HD2% 1.0 0.0 4.54 148 142 A 62 ARG HA A 63 LYS H 1.0 0.0 3.70 149 143 A 11 LEU H A 11 LEU HD1% 1.0 0.0 4.95 150 144 A 33 VAL HA A 15 ASN H 1.0 0.0 4.73 151 145 A 15 ASN H A 17 GLN HG2 1.0 0.0 4.89 152 145 A 15 ASN H A 17 GLN HG3 1.0 0.0 4.89 153 146 A 15 ASN HD21 A 48 ARG HB2 1.0 0.0 4.60 154 147 A 15 ASN HD22 A 48 ARG HB2 1.0 0.0 5.04 155 148 A 13 CYS H A 17 GLN H 1.0 0.0 4.88 156 149 A 13 CYS H A 18 THR H 1.0 0.0 4.26 157 150 A 24 TRP H A 24 TRP HB3 1.0 0.0 3.95 158 151 A 27 ASN H A 26 ARG HD2 1.0 0.0 4.88 159 151 A 27 ASN H A 26 ARG HD3 1.0 0.0 4.88 160 152 A 29 GLU H A 29 GLU HGy 1.0 0.0 4.61 161 153 A 30 GLY H A 29 GLU HB2 1.0 0.0 4.87 162 154 A 30 GLY H A 29 GLU HB3 1.0 0.0 4.69 163 155 A 30 GLY H A 28 ALA HA 1.0 0.0 4.79 164 156 A 27 ASN HD22 A 31 GLU H 1.0 0.0 4.42 165 157 A 31 GLU H A 27 ASN HD21 1.0 0.0 4.80 166 158 A 33 VAL H A 26 ARG HD2 1.0 0.0 4.83 167 158 A 33 VAL H A 26 ARG HD3 1.0 0.0 4.83 168 159 A 33 VAL H A 25 ARG H 1.0 0.0 4.66 169 160 A 34 CYS H A 37 CYS HB2 1.0 0.0 4.51 170 161 A 36 ALA H A 35 ASN H 1.0 0.0 4.56 171 162 A 40 TYR H A 39 LEU HD1% 1.0 0.0 5.24 172 163 A 40 TYR H A 39 LEU HD2% 1.0 0.0 5.55 173 164 A 40 TYR H A 40 TYR HD% 1.0 0.0 4.38 174 165 A 41 MET H A 40 TYR HD% 1.0 0.0 4.54 175 166 A 48 ARG H A 40 TYR HB2 1.0 0.0 4.28 176 166 A 40 TYR HB3 A 48 ARG H 1.0 0.0 4.28 177 167 A 50 LEU H A 50 LEU HD1% 1.0 0.0 4.66 178 168 A 26 ARG H A 25 ARG HA 1.0 0.0 3.71 179 169 A 24 TRP HE1 A 11 LEU HD1% 1.0 0.0 4.83 180 170 A 50 LEU H A 49 PRO HBy 1.0 0.0 4.26 181 171 A 14 ALA H A 14 ALA HB% 1.0 0.0 3.14 182 172 A 60 ARG HA A 60 ARG HD2 1.0 0.0 3.87 183 172 A 60 ARG HA A 60 ARG HD3 1.0 0.0 3.87 184 173 A 53 ARG HA A 53 ARG HB2 1.0 0.0 3.14 185 173 A 53 ARG HA A 53 ARG HB3 1.0 0.0 3.14 186 174 A 60 ARG HA A 60 ARG HGy 1.0 0.0 4.30 187 175 A 9 VAL HA A 9 VAL HG1% 1.0 0.0 3.65 188 176 A 9 VAL HA A 9 VAL HG2% 1.0 0.0 3.98 189 177 A 11 LEU HD2% A 32 PRO HBx 1.0 0.0 4.46 190 178 A 12 SER H A 11 LEU HA 1.0 0.0 3.16 191 179 A 11 LEU HD2% A 11 LEU HA 1.0 0.0 3.52 192 180 A 11 LEU HD1% A 11 LEU HA 1.0 0.0 4.43 193 181 A 11 LEU HD1% A 32 PRO HBy 1.0 0.0 4.47 194 182 A 11 LEU HD1% A 32 PRO HBx 1.0 0.0 4.47 195 183 A 13 CYS H A 12 SER HBy 1.0 0.0 4.22 196 184 A 17 GLN HA A 12 SER HBy 1.0 0.0 4.55 197 185 A 13 CYS H A 12 SER HBx 1.0 0.0 4.22 198 186 A 17 GLN HA A 12 SER HBx 1.0 0.0 4.55 199 187 A 19 THR HG2% A 12 SER HBx 1.0 0.0 3.79 200 188 A 12 SER HA A 24 TRP HH2 1.0 0.0 3.59 201 189 A 12 SER HA A 19 THR HG2% 1.0 0.0 3.77 202 190 A 13 CYS HB2 A 34 CYS H 1.0 0.0 4.12 203 191 A 24 TRP HZ3 A 13 CYS HB2 1.0 0.0 4.33 204 192 A 14 ALA H A 13 CYS HA 1.0 0.0 3.27 205 193 A 33 VAL HA A 13 CYS HA 1.0 0.0 3.55 206 194 A 14 ALA HB% A 27 ASN HD22 1.0 0.0 3.90 207 195 A 14 ALA HB% A 27 ASN HD21 1.0 0.0 3.92 208 196 A 33 VAL HA A 14 ALA HB% 1.0 0.0 4.46 209 197 A 14 ALA HB% A 15 ASN HA 1.0 0.0 4.46 210 198 A 14 ALA HB% A 32 PRO HD2 1.0 0.0 4.19 211 198 A 14 ALA HB% A 32 PRO HD3 1.0 0.0 4.19 212 199 A 14 ALA HB% A 31 GLU HGy 1.0 0.0 4.60 213 200 A 14 ALA HB% A 31 GLU HB3 1.0 0.0 3.38 214 201 A 14 ALA HB% A 31 GLU HB2 1.0 0.0 3.59 215 202 A 15 ASN HB3 A 15 ASN H 1.0 0.0 4.06 216 203 A 15 ASN HD21 A 15 ASN HB2 1.0 0.0 3.71 217 204 A 33 VAL HG1% A 15 ASN HB2 1.0 0.0 4.40 218 205 A 50 LEU HD1% A 16 CYS HBx 1.0 0.0 4.55 219 206 A 50 LEU HD1% A 16 CYS HBy 1.0 0.0 4.55 220 207 A 50 LEU HD1% A 16 CYS HA 1.0 0.0 3.59 221 208 A 17 GLN HA A 13 CYS HB3 1.0 0.0 3.84 222 209 A 17 GLN HA A 17 GLN HG2 1.0 0.0 3.61 223 209 A 17 GLN HA A 17 GLN HG3 1.0 0.0 3.61 224 210 A 17 GLN HG3 A 17 GLN HBy 1.0 0.0 2.97 225 210 A 17 GLN HBy A 17 GLN HG2 1.0 0.0 2.97 226 211 A 13 CYS H A 18 THR HG2% 1.0 0.0 4.11 227 212 A 18 THR H A 18 THR HG2% 1.0 0.0 3.39 228 213 A 18 THR HG2% A 24 TRP HH2 1.0 0.0 4.07 229 214 A 22 THR HA A 22 THR HG2% 1.0 0.0 3.15 230 215 A 18 THR HG2% A 21 THR HB 1.0 0.0 4.15 231 216 A 13 CYS HB3 A 18 THR HG2% 1.0 0.0 3.59 232 217 A 13 CYS HB2 A 18 THR HG2% 1.0 0.0 3.31 233 218 A 18 THR H A 18 THR HB 1.0 0.0 3.54 234 219 A 19 THR HG2% A 19 THR HA 1.0 0.0 3.31 235 220 A 18 THR HA A 19 THR HG2% 1.0 0.0 4.43 236 221 A 19 THR HG2% A 12 SER HBy 1.0 0.0 3.79 237 222 A 19 THR HA A 24 TRP HZ2 1.0 0.0 3.90 238 223 A 20 THR HG2% A 20 THR HA 1.0 0.0 3.57 239 224 A 21 THR HB A 34 CYS HBy 1.0 0.0 4.47 240 225 A 18 THR HG2% A 21 THR HA 1.0 0.0 5.20 241 226 A 23 LEU HA A 23 LEU HD2% 1.0 0.0 4.60 242 227 A 23 LEU HD2% A 23 LEU HB2 1.0 0.0 3.15 243 227 A 23 LEU HB3 A 23 LEU HD2% 1.0 0.0 3.15 244 228 A 23 LEU HB3 A 35 ASN HBy 1.0 0.0 4.27 245 228 A 23 LEU HB2 A 35 ASN HBy 1.0 0.0 4.27 246 229 A 24 TRP H A 23 LEU HD1% 1.0 0.0 3.90 247 230 A 23 LEU HA A 23 LEU HD1% 1.0 0.0 3.36 248 231 A 23 LEU HD1% A 23 LEU HB2 1.0 0.0 3.39 249 231 A 23 LEU HB3 A 23 LEU HD1% 1.0 0.0 3.39 250 232 A 25 ARG H A 24 TRP HA 1.0 0.0 3.43 251 233 A 24 TRP HB3 A 25 ARG H 1.0 0.0 4.60 252 234 A 25 ARG HB2 A 25 ARG H 1.0 0.0 4.40 253 235 A 42 LYS HA A 42 LYS HDx 1.0 0.0 4.76 254 236 A 26 ARG HA A 26 ARG HGx 1.0 0.0 4.38 255 237 A 26 ARG HA A 26 ARG HD2 1.0 0.0 3.87 256 237 A 26 ARG HA A 26 ARG HD3 1.0 0.0 3.87 257 238 A 26 ARG HA A 26 ARG HGy 1.0 0.0 4.38 258 239 A 33 VAL HG2% A 27 ASN HB3 1.0 0.0 4.28 259 240 A 33 VAL HG1% A 27 ASN HB2 1.0 0.0 4.37 260 241 A 28 ALA HB% A 29 GLU HA 1.0 0.0 4.61 261 242 A 33 VAL HG1% A 14 ALA HB% 1.0 0.0 3.21 262 243 A 29 GLU HA A 29 GLU HGx 1.0 0.0 3.83 263 244 A 31 GLU HB3 A 31 GLU H 1.0 0.0 4.25 264 245 A 31 GLU H A 31 GLU HGx 1.0 0.0 4.15 265 246 A 27 ASN HD22 A 31 GLU HGx 1.0 0.0 4.68 266 247 A 32 PRO HD3 A 31 GLU HGx 1.0 0.0 4.51 267 247 A 31 GLU HGx A 32 PRO HD2 1.0 0.0 4.51 268 248 A 14 ALA HB% A 31 GLU HGx 1.0 0.0 4.60 269 249 A 31 GLU H A 31 GLU HGy 1.0 0.0 4.15 270 250 A 31 GLU HA A 31 GLU HGy 1.0 0.0 4.05 271 251 A 32 PRO HD3 A 31 GLU HGy 1.0 0.0 4.51 272 251 A 31 GLU HGy A 32 PRO HD2 1.0 0.0 4.51 273 252 A 31 GLU HB2 A 32 PRO HD2 1.0 0.0 4.20 274 252 A 31 GLU HB2 A 32 PRO HD3 1.0 0.0 4.20 275 253 A 31 GLU HA A 31 GLU HGx 1.0 0.0 4.05 276 254 A 33 VAL H A 32 PRO HBy 1.0 0.0 4.59 277 255 A 43 LEU H A 42 LYS HBx 1.0 0.0 4.54 278 256 A 11 LEU HD2% A 32 PRO HBy 1.0 0.0 4.46 279 257 A 11 LEU HD2% A 32 PRO HGx 1.0 0.0 4.26 280 258 A 11 LEU HD1% A 32 PRO HGx 1.0 0.0 4.73 281 259 A 31 GLU HA A 32 PRO HD2 1.0 0.0 2.93 282 259 A 32 PRO HD3 A 31 GLU HA 1.0 0.0 2.93 283 260 A 31 GLU HB3 A 32 PRO HD2 1.0 0.0 3.42 284 260 A 31 GLU HB3 A 32 PRO HD3 1.0 0.0 3.42 285 261 A 33 VAL H A 32 PRO HBx 1.0 0.0 4.59 286 262 A 24 TRP HE3 A 32 PRO HBx 1.0 0.0 4.54 287 263 A 32 PRO HA A 33 VAL H 1.0 0.0 2.99 288 264 A 26 ARG HA A 32 PRO HA 1.0 0.0 3.60 289 265 A 32 PRO HA A 26 ARG HD2 1.0 0.0 3.85 290 265 A 32 PRO HA A 26 ARG HD3 1.0 0.0 3.85 291 266 A 11 LEU HD2% A 32 PRO HGy 1.0 0.0 4.26 292 267 A 11 LEU HD1% A 32 PRO HGy 1.0 0.0 4.73 293 268 A 33 VAL HG2% A 38 GLY H 1.0 0.0 4.19 294 269 A 33 VAL HG2% A 33 VAL H 1.0 0.0 3.54 295 270 A 33 VAL HA A 33 VAL HG2% 1.0 0.0 4.25 296 271 A 33 VAL HG2% A 26 ARG HA 1.0 0.0 4.02 297 272 A 33 VAL HG2% A 32 PRO HA 1.0 0.0 4.33 298 273 A 33 VAL HG2% A 38 GLY HAy 1.0 0.0 3.75 299 274 A 33 VAL HG2% A 38 GLY HAx 1.0 0.0 3.75 300 275 A 25 ARG HB3 A 33 VAL HG2% 1.0 0.0 4.22 301 276 A 25 ARG HB2 A 33 VAL HG2% 1.0 0.0 3.54 302 277 A 33 VAL HB A 38 GLY H 1.0 0.0 4.78 303 278 A 33 VAL HB A 37 CYS HB3 1.0 0.0 4.45 304 279 A 33 VAL HG1% A 27 ASN H 1.0 0.0 4.63 305 280 A 33 VAL HG1% A 33 VAL H 1.0 0.0 4.44 306 281 A 33 VAL HG1% A 27 ASN HD22 1.0 0.0 4.65 307 282 A 33 VAL HA A 33 VAL HG1% 1.0 0.0 3.64 308 283 A 33 VAL HG1% A 27 ASN HB3 1.0 0.0 3.78 309 284 A 21 THR HB A 34 CYS HBx 1.0 0.0 4.47 310 285 A 21 THR HG2% A 34 CYS HA 1.0 0.0 3.94 311 286 A 36 ALA H A 35 ASN HBy 1.0 0.0 4.44 312 287 A 37 CYS HA A 40 TYR HB2 1.0 0.0 4.17 313 287 A 40 TYR HB3 A 37 CYS HA 1.0 0.0 4.17 314 288 A 48 ARG HB2 A 40 TYR HB2 1.0 0.0 3.99 315 288 A 40 TYR HB3 A 48 ARG HB2 1.0 0.0 3.99 316 289 A 23 LEU HB3 A 35 ASN HBx 1.0 0.0 4.27 317 289 A 35 ASN HBx A 23 LEU HB2 1.0 0.0 4.27 318 290 A 39 LEU HG A 39 LEU HA 1.0 0.0 3.85 319 291 A 39 LEU HB2 A 36 ALA HA 1.0 0.0 4.06 320 292 A 39 LEU HD1% A 36 ALA HA 1.0 0.0 4.21 321 293 A 37 CYS HB3 A 38 GLY H 1.0 0.0 4.75 322 294 A 33 VAL HG1% A 37 CYS HB3 1.0 0.0 4.80 323 295 A 33 VAL HB A 37 CYS HB2 1.0 0.0 4.09 324 296 A 33 VAL HG1% A 37 CYS HB2 1.0 0.0 4.59 325 297 A 33 VAL HG2% A 37 CYS HB2 1.0 0.0 4.78 326 298 A 48 ARG HB3 A 37 CYS HA 1.0 0.0 4.71 327 299 A 48 ARG HB2 A 37 CYS HA 1.0 0.0 4.05 328 300 A 39 LEU H A 39 LEU HD2% 1.0 0.0 4.48 329 301 A 39 LEU HD2% A 39 LEU HA 1.0 0.0 3.17 330 302 A 39 LEU HB3 A 39 LEU HD2% 1.0 0.0 3.43 331 303 A 50 LEU H A 50 LEU HG 1.0 0.0 4.30 332 304 A 39 LEU HD1% A 39 LEU HA 1.0 0.0 3.85 333 305 A 39 LEU HB2 A 39 LEU HD1% 1.0 0.0 3.53 334 306 A 50 LEU H A 50 LEU HB3 1.0 0.0 4.24 335 307 A 39 LEU HB3 A 39 LEU HD1% 1.0 0.0 3.59 336 308 A 44 HIS HD2 A 40 TYR HA 1.0 0.0 4.09 337 309 A 43 LEU HB3 A 40 TYR HA 1.0 0.0 4.50 338 310 A 41 MET HE% A 41 MET HGx 1.0 0.0 4.01 339 311 A 41 MET HE% A 46 VAL HA 1.0 0.0 3.87 340 312 A 47 PRO HA A 41 MET HE% 1.0 0.0 3.95 341 313 A 41 MET HE% A 47 PRO HD3 1.0 0.0 3.73 342 314 A 41 MET HE% A 47 PRO HD2 1.0 0.0 4.36 343 315 A 41 MET HE% A 46 VAL HB 1.0 0.0 4.42 344 316 A 41 MET HA A 40 TYR HD% 1.0 0.0 3.98 345 317 A 42 LYS HA A 42 LYS HGy 1.0 0.0 4.14 346 318 A 42 LYS HA A 42 LYS HGx 1.0 0.0 4.14 347 319 A 63 LYS HD3 A 63 LYS HG2 1.0 0.0 2.74 348 319 A 63 LYS HD2 A 63 LYS HG2 1.0 0.0 2.74 349 319 A 63 LYS HG3 A 63 LYS HD2 1.0 0.0 2.74 350 319 A 63 LYS HG3 A 63 LYS HD3 1.0 0.0 2.74 351 320 A 54 LYS HD2 A 54 LYS HE2 1.0 0.0 2.82 352 320 A 54 LYS HD3 A 54 LYS HE2 1.0 0.0 2.82 353 320 A 54 LYS HE3 A 54 LYS HD2 1.0 0.0 2.82 354 320 A 54 LYS HD3 A 54 LYS HE3 1.0 0.0 2.82 355 321 A 63 LYS HD2 A 63 LYS HE2 1.0 0.0 2.82 356 321 A 63 LYS HD3 A 63 LYS HE2 1.0 0.0 2.82 357 321 A 63 LYS HE3 A 63 LYS HD2 1.0 0.0 2.82 358 321 A 63 LYS HD3 A 63 LYS HE3 1.0 0.0 2.82 359 322 A 43 LEU HD2% A 43 LEU HA 1.0 0.0 3.40 360 323 A 43 LEU HB2 A 43 LEU HD2% 1.0 0.0 4.04 361 324 A 43 LEU HB3 A 43 LEU HD2% 1.0 0.0 3.39 362 325 A 43 LEU HD1% A 40 TYR HA 1.0 0.0 3.65 363 326 A 43 LEU HB2 A 43 LEU HD1% 1.0 0.0 3.75 364 327 A 43 LEU HB2 A 40 TYR HA 1.0 0.0 3.85 365 328 A 44 HIS HB3 A 40 TYR HE% 1.0 0.0 4.54 366 329 A 46 VAL HG2% A 46 VAL HA 1.0 0.0 3.99 367 330 A 46 VAL HG2% A 47 PRO HD3 1.0 0.0 4.56 368 331 A 46 VAL HG2% A 47 PRO HD2 1.0 0.0 4.07 369 332 A 46 VAL HG2% A 44 HIS HB3 1.0 0.0 3.65 370 333 A 46 VAL HG2% A 44 HIS HB2 1.0 0.0 3.95 371 334 A 47 PRO HD2 A 46 VAL HB 1.0 0.0 3.33 372 335 A 46 VAL HG1% A 46 VAL HA 1.0 0.0 3.22 373 336 A 46 VAL HG1% A 47 PRO HD3 1.0 0.0 4.15 374 337 A 46 VAL HG1% A 47 PRO HD2 1.0 0.0 4.03 375 338 A 48 ARG H A 47 PRO HBx 1.0 0.0 4.58 376 339 A 46 VAL HA A 47 PRO HD2 1.0 0.0 3.40 377 340 A 46 VAL HA A 47 PRO HD3 1.0 0.0 3.16 378 341 A 47 PRO HD3 A 46 VAL HB 1.0 0.0 3.53 379 342 A 40 TYR HD% A 48 ARG HA 1.0 0.0 4.56 380 343 A 48 ARG HA A 48 ARG HGx 1.0 0.0 4.43 381 344 A 48 ARG HA A 48 ARG HGy 1.0 0.0 4.43 382 345 A 48 ARG HA A 49 PRO HG2 1.0 0.0 4.60 383 345 A 48 ARG HA A 49 PRO HG3 1.0 0.0 4.60 384 346 A 48 ARG HA A 49 PRO HDx 1.0 0.0 3.50 385 347 A 49 PRO HDx A 48 ARG HGy 1.0 0.0 4.86 386 348 A 49 PRO HDx A 48 ARG HGx 1.0 0.0 4.86 387 349 A 48 ARG HA A 49 PRO HDy 1.0 0.0 3.50 388 350 A 48 ARG HGx A 49 PRO HDy 1.0 0.0 4.86 389 351 A 15 ASN HD21 A 50 LEU HD2% 1.0 0.0 4.81 390 352 A 16 CYS H A 50 LEU HD2% 1.0 0.0 5.47 391 353 A 50 LEU HD2% A 16 CYS HA 1.0 0.0 4.08 392 354 A 50 LEU HD2% A 50 LEU HA 1.0 0.0 3.21 393 355 A 50 LEU HD2% A 16 CYS HBy 1.0 0.0 4.02 394 356 A 50 LEU HD2% A 16 CYS HBx 1.0 0.0 4.02 395 357 A 50 LEU HD2% A 50 LEU HB3 1.0 0.0 3.60 396 358 A 50 LEU HD1% A 50 LEU HA 1.0 0.0 4.42 397 359 A 50 LEU HB2 A 50 LEU HD1% 1.0 0.0 3.77 398 360 A 50 LEU HB2 A 50 LEU HD2% 1.0 0.0 4.04 399 361 A 55 GLU HA A 55 GLU HG2 1.0 0.0 4.22 400 361 A 55 GLU HA A 55 GLU HG3 1.0 0.0 4.22 401 362 A 57 ILE HA A 57 ILE HG2% 1.0 0.0 3.90 402 363 A 60 ARG HD3 A 60 ARG HBy 1.0 0.0 3.93 403 363 A 60 ARG HBy A 60 ARG HD2 1.0 0.0 3.93 404 364 A 60 ARG HA A 60 ARG HGx 1.0 0.0 4.30 405 365 A 62 ARG HA A 62 ARG HD2 1.0 0.0 4.78 406 365 A 62 ARG HA A 62 ARG HD3 1.0 0.0 4.78 407 366 A 60 ARG HD3 A 60 ARG HBx 1.0 0.0 3.93 408 366 A 60 ARG HBx A 60 ARG HD2 1.0 0.0 3.93 409 367 A 9 VAL HG2% A 8 ARG HA 1.0 0.0 4.84 410 368 A 9 VAL HG1% A 10 GLY HA2 1.0 0.0 4.49 411 368 A 10 GLY HA3 A 9 VAL HG1% 1.0 0.0 4.49 412 369 A 11 LEU HD1% A 24 TRP HB3 1.0 0.0 4.80 413 370 A 12 SER H A 11 LEU HD1% 1.0 0.0 5.21 414 371 A 11 LEU HD1% A 24 TRP HE3 1.0 0.0 5.63 415 372 A 13 CYS HB2 A 24 TRP HH2 1.0 0.0 4.85 416 373 A 17 GLN HG3 A 17 GLN HBx 1.0 0.0 2.97 417 373 A 17 GLN HBx A 17 GLN HG2 1.0 0.0 2.97 418 374 A 18 THR HA A 18 THR HG2% 1.0 0.0 4.28 419 375 A 18 THR HG2% A 21 THR HG2% 1.0 0.0 4.64 420 376 A 24 TRP HZ3 A 18 THR HG2% 1.0 0.0 4.78 421 377 A 18 THR HG2% A 34 CYS H 1.0 0.0 4.70 422 378 A 59 THR H A 59 THR HG2% 1.0 0.0 4.86 423 379 A 18 THR HG2% A 19 THR HA 1.0 0.0 4.89 424 380 A 20 THR HB A 21 THR H 1.0 0.0 4.84 425 381 A 21 THR HB A 34 CYS HA 1.0 0.0 4.66 426 382 A 23 LEU HA A 23 LEU HG 1.0 0.0 4.09 427 383 A 23 LEU HG A 23 LEU HB2 1.0 0.0 2.95 428 383 A 23 LEU HB3 A 23 LEU HG 1.0 0.0 2.95 429 384 A 29 GLU HA A 29 GLU HGy 1.0 0.0 3.83 430 385 A 13 CYS HB2 A 33 VAL HA 1.0 0.0 4.87 431 386 A 24 TRP HZ3 A 33 VAL HA 1.0 0.0 4.87 432 387 A 33 VAL HG1% A 13 CYS HA 1.0 0.0 4.82 433 388 A 33 VAL HG2% A 25 ARG H 1.0 0.0 4.88 434 389 A 33 VAL HG2% A 34 CYS H 1.0 0.0 4.88 435 390 A 37 CYS H A 35 ASN HA 1.0 0.0 4.76 436 391 A 36 ALA HB% A 48 ARG HDx 1.0 0.0 4.85 437 392 A 36 ALA HB% A 48 ARG HDy 1.0 0.0 4.85 438 393 A 40 TYR H A 37 CYS HA 1.0 0.0 4.92 439 394 A 15 ASN HD21 A 50 LEU HD1% 1.0 0.0 5.51 440 395 A 39 LEU HB2 A 39 LEU HD2% 1.0 0.0 3.95 441 396 A 41 MET HA A 41 MET HE% 1.0 0.0 4.81 442 397 A 40 TYR HD% A 41 MET HE% 1.0 0.0 5.62 443 398 A 46 VAL H A 41 MET HE% 1.0 0.0 5.78 444 399 A 43 LEU HG A 43 LEU HA 1.0 0.0 4.44 445 400 A 46 VAL H A 44 HIS HB3 1.0 0.0 4.46 446 401 A 48 ARG HB2 A 48 ARG HDx 1.0 0.0 4.42 447 402 A 48 ARG HB2 A 48 ARG HDy 1.0 0.0 4.42 448 403 A 50 LEU HD1% A 50 LEU HB3 1.0 0.0 4.20 449 404 A 15 ASN HD22 A 50 LEU HD1% 1.0 0.0 4.80 450 405 A 50 LEU HG A 50 LEU HA 1.0 0.0 4.30 451 406 A 57 ILE HA A 57 ILE HD1% 1.0 0.0 4.61 452 407 A 59 THR HA A 59 THR HB 1.0 0.0 3.03 453 408 A 59 THR HG2% A 59 THR HA 1.0 0.0 3.75 454 409 A 42 LYS HA A 42 LYS HDy 1.0 0.0 4.76 455 410 A 41 MET HE% A 41 MET HGy 1.0 0.0 4.01 456 411 A 24 TRP HA A 34 CYS HA 1.0 0.0 4.24 457 412 A 57 ILE HD1% A 57 ILE HB 1.0 0.0 4.42 458 413 A 14 ALA HB% A 13 CYS HA 1.0 0.0 4.58 459 414 A 48 ARG HB3 A 40 TYR HB2 1.0 0.0 4.69 460 414 A 48 ARG HB3 A 40 TYR HB3 1.0 0.0 4.69 461 415 A 48 ARG HGy A 49 PRO HDy 1.0 0.0 4.86 462 416 A 24 TRP H A 24 TRP HD1 1.0 0.0 3.85 463 417 A 24 TRP HB3 A 24 TRP HD1 1.0 0.0 4.08 464 418 A 24 TRP HB2 A 24 TRP HD1 1.0 0.0 3.63 465 419 A 11 LEU HD1% A 24 TRP HD1 1.0 0.0 4.56 466 420 A 21 THR HG2% A 24 TRP HD1 1.0 0.0 4.47 467 421 A 13 CYS H A 24 TRP HH2 1.0 0.0 3.92 468 422 A 24 TRP HZ3 A 13 CYS HA 1.0 0.0 4.17 469 423 A 25 ARG H A 24 TRP HE3 1.0 0.0 4.40 470 424 A 33 VAL H A 24 TRP HE3 1.0 0.0 4.37 471 425 A 24 TRP HA A 24 TRP HE3 1.0 0.0 4.01 472 426 A 24 TRP HB3 A 24 TRP HE3 1.0 0.0 4.03 473 427 A 24 TRP HE3 A 32 PRO HBy 1.0 0.0 4.54 474 428 A 40 TYR HD% A 44 HIS HD2 1.0 0.0 4.29 475 429 A 40 TYR HD% A 40 TYR HA 1.0 0.0 3.90 476 430 A 40 TYR HD% A 48 ARG HGy 1.0 0.0 4.44 477 431 A 46 VAL HG2% A 40 TYR HD% 1.0 0.0 4.19 478 432 A 40 TYR HD% A 48 ARG HGx 1.0 0.0 4.44 479 433 A 40 TYR HE% A 49 PRO HDy 1.0 0.0 4.15 480 434 A 40 TYR HE% A 48 ARG HA 1.0 0.0 3.93 481 435 A 40 TYR HE% A 49 PRO HDx 1.0 0.0 4.15 482 436 A 44 HIS HB2 A 40 TYR HE% 1.0 0.0 4.26 483 437 A 46 VAL HG2% A 40 TYR HE% 1.0 0.0 3.07 484 438 A 21 THR HG2% A 24 TRP HZ2 1.0 0.0 4.73 485 439 A 12 SER HA A 24 TRP HZ2 1.0 0.0 4.47 486 440 A 13 CYS H A 24 TRP HZ2 1.0 0.0 4.86 487 441 A 24 TRP HH2 A 19 THR HA 1.0 0.0 3.83 488 442 A 13 CYS HB3 A 24 TRP HH2 1.0 0.0 5.78 489 443 A 40 TYR HD% A 44 HIS HB2 1.0 0.0 4.73 490 444 A 47 PRO HA A 40 TYR HD% 1.0 0.0 4.57 491 445 A 44 HIS HD2 A 40 TYR CA 1.0 0.0 4.58 492 446 A 43 LEU HD2% A 44 HIS HE1 1.0 0.0 4.88 493 447 A 43 LEU HD1% A 44 HIS HE1 1.0 0.0 4.86 494 448 A 13 CYS SG A 16 CYS SG 1.0 0.0 5.25 495 449 A 13 CYS SG A 34 CYS SG 1.0 0.0 5.25 496 450 A 13 CYS SG A 37 CYS SG 1.0 0.0 5.25 497 451 A 16 CYS SG A 37 CYS SG 1.0 0.0 5.25 498 452 A 16 CYS SG A 34 CYS SG 1.0 0.0 5.25 499 453 A 34 CYS SG A 37 CYS SG 1.0 0.0 5.25 500 454 A 11 LEU H A 11 LEU HBy 1.0 0.0 3.69 501 454 A 11 LEU H A 11 LEU HBx 1.0 0.0 3.69 502 455 A 24 TRP HZ2 A 11 LEU HBy 1.0 0.0 4.47 503 455 A 24 TRP HZ2 A 11 LEU HBx 1.0 0.0 4.47 504 456 A 11 LEU HD1% A 32 PRO HBx 1.0 0.0 3.87 505 456 A 11 LEU HD1% A 32 PRO HBy 1.0 0.0 3.87 506 457 A 12 SER H A 12 SER HBy 1.0 0.0 3.89 507 457 A 12 SER H A 12 SER HBx 1.0 0.0 3.89 508 458 A 12 SER H A 32 PRO HGy 1.0 0.0 4.74 509 458 A 12 SER H A 32 PRO HGx 1.0 0.0 4.74 510 459 A 19 THR HA A 12 SER HBy 1.0 0.0 4.29 511 459 A 19 THR HA A 12 SER HBx 1.0 0.0 4.29 512 460 A 19 THR HG2% A 12 SER HBy 1.0 0.0 3.29 513 460 A 19 THR HG2% A 12 SER HBx 1.0 0.0 3.29 514 461 A 24 TRP HH2 A 12 SER HBy 1.0 0.0 5.37 515 461 A 24 TRP HH2 A 12 SER HBx 1.0 0.0 5.37 516 462 A 13 CYS HB3 A 16 CYS HBx 1.0 0.0 5.61 517 462 A 13 CYS HB3 A 16 CYS HBy 1.0 0.0 5.61 518 463 A 13 CYS HB3 A 17 GLN HBx 1.0 0.0 5.61 519 463 A 13 CYS HB3 A 17 GLN HBy 1.0 0.0 5.61 520 464 A 13 CYS HB3 A 34 CYS HBy 1.0 0.0 5.61 521 464 A 13 CYS HB3 A 34 CYS HBx 1.0 0.0 5.61 522 465 A 14 ALA HB% A 31 GLU HGy 1.0 0.0 3.72 523 465 A 14 ALA HB% A 31 GLU HGx 1.0 0.0 3.72 524 466 A 14 ALA HB% A 32 PRO HGy 1.0 0.0 4.17 525 466 A 14 ALA HB% A 32 PRO HGx 1.0 0.0 4.17 526 467 A 15 ASN HD21 A 16 CYS HBx 1.0 0.0 4.63 527 467 A 15 ASN HD21 A 16 CYS HBy 1.0 0.0 4.63 528 468 A 16 CYS H A 16 CYS HBx 1.0 0.0 3.62 529 468 A 16 CYS H A 16 CYS HBy 1.0 0.0 3.62 530 469 A 17 GLN HA A 17 GLN HE2y 1.0 0.0 4.84 531 469 A 17 GLN HA A 17 GLN HE2x 1.0 0.0 4.84 532 470 A 18 THR HG2% A 34 CYS HBy 1.0 0.0 3.39 533 470 A 18 THR HG2% A 34 CYS HBx 1.0 0.0 3.39 534 471 A 21 THR HB A 34 CYS HBy 1.0 0.0 3.68 535 471 A 21 THR HB A 34 CYS HBx 1.0 0.0 3.68 536 472 A 21 THR HG2% A 34 CYS HBy 1.0 0.0 4.94 537 472 A 21 THR HG2% A 34 CYS HBx 1.0 0.0 4.94 538 473 A 23 LEU HB3 A 35 ASN HBy 1.0 0.0 3.69 539 473 A 23 LEU HB2 A 35 ASN HBy 1.0 0.0 3.69 540 473 A 35 ASN HBx A 23 LEU HB2 1.0 0.0 3.69 541 473 A 23 LEU HB3 A 35 ASN HBx 1.0 0.0 3.69 542 474 A 24 TRP HA A 25 ARG HGx 1.0 0.0 5.19 543 474 A 24 TRP HA A 25 ARG HGy 1.0 0.0 5.19 544 475 A 25 ARG HB2 A 25 ARG HDx 1.0 0.0 3.91 545 475 A 25 ARG HB2 A 25 ARG HDy 1.0 0.0 3.91 546 476 A 33 VAL HG2% A 25 ARG HGx 1.0 0.0 4.50 547 476 A 33 VAL HG2% A 25 ARG HGy 1.0 0.0 4.50 548 477 A 35 ASN HA A 25 ARG HGx 1.0 0.0 4.60 549 477 A 35 ASN HA A 25 ARG HGy 1.0 0.0 4.60 550 478 A 33 VAL HG2% A 25 ARG HDx 1.0 0.0 4.70 551 478 A 33 VAL HG2% A 25 ARG HDy 1.0 0.0 4.70 552 479 A 35 ASN HA A 25 ARG HDx 1.0 0.0 3.85 553 479 A 35 ASN HA A 25 ARG HDy 1.0 0.0 3.85 554 480 A 25 ARG HDx A 38 GLY HAx 1.0 0.0 3.48 555 480 A 25 ARG HDy A 38 GLY HAx 1.0 0.0 3.48 556 480 A 38 GLY HAy A 25 ARG HDx 1.0 0.0 3.48 557 480 A 25 ARG HDy A 38 GLY HAy 1.0 0.0 3.48 558 481 A 39 LEU H A 25 ARG HDx 1.0 0.0 4.79 559 481 A 39 LEU H A 25 ARG HDy 1.0 0.0 4.79 560 482 A 26 ARG H A 26 ARG HBx 1.0 0.0 3.55 561 482 A 26 ARG H A 26 ARG HBy 1.0 0.0 3.55 562 483 A 26 ARG H A 26 ARG HGy 1.0 0.0 4.95 563 483 A 26 ARG H A 26 ARG HGx 1.0 0.0 4.95 564 484 A 26 ARG HA A 26 ARG HGy 1.0 0.0 3.82 565 484 A 26 ARG HA A 26 ARG HGx 1.0 0.0 3.82 566 485 A 27 ASN H A 26 ARG HBx 1.0 0.0 3.72 567 485 A 27 ASN H A 26 ARG HBy 1.0 0.0 3.72 568 486 A 30 GLY H A 26 ARG HBx 1.0 0.0 4.37 569 486 A 30 GLY H A 26 ARG HBy 1.0 0.0 4.37 570 487 A 26 ARG HBx A 30 GLY HAy 1.0 0.0 4.13 571 487 A 26 ARG HBy A 30 GLY HAy 1.0 0.0 4.13 572 487 A 30 GLY HAx A 26 ARG HBx 1.0 0.0 4.13 573 487 A 26 ARG HBy A 30 GLY HAx 1.0 0.0 4.13 574 488 A 26 ARG HGy A 30 GLY HAy 1.0 0.0 5.37 575 488 A 26 ARG HGx A 30 GLY HAy 1.0 0.0 5.37 576 488 A 30 GLY HAx A 26 ARG HGy 1.0 0.0 5.37 577 488 A 26 ARG HGx A 30 GLY HAx 1.0 0.0 5.37 578 489 A 27 ASN HD21 A 31 GLU HGy 1.0 0.0 4.74 579 489 A 27 ASN HD21 A 31 GLU HGx 1.0 0.0 4.74 580 490 A 27 ASN HD22 A 31 GLU HGy 1.0 0.0 3.98 581 490 A 27 ASN HD22 A 31 GLU HGx 1.0 0.0 3.98 582 491 A 29 GLU H A 29 GLU HGy 1.0 0.0 3.85 583 491 A 29 GLU H A 29 GLU HGx 1.0 0.0 3.85 584 492 A 29 GLU H A 30 GLY HAy 1.0 0.0 4.75 585 492 A 29 GLU H A 30 GLY HAx 1.0 0.0 4.75 586 493 A 29 GLU HA A 29 GLU HGy 1.0 0.0 3.36 587 493 A 29 GLU HA A 29 GLU HGx 1.0 0.0 3.36 588 494 A 33 VAL H A 32 PRO HBx 1.0 0.0 4.00 589 494 A 33 VAL H A 32 PRO HBy 1.0 0.0 4.00 590 495 A 33 VAL HB A 38 GLY HAx 1.0 0.0 4.37 591 495 A 33 VAL HB A 38 GLY HAy 1.0 0.0 4.37 592 496 A 34 CYS H A 34 CYS HBy 1.0 0.0 3.83 593 496 A 34 CYS H A 34 CYS HBx 1.0 0.0 3.83 594 497 A 35 ASN H A 34 CYS HBy 1.0 0.0 4.13 595 497 A 35 ASN H A 34 CYS HBx 1.0 0.0 4.13 596 498 A 36 ALA H A 35 ASN HBy 1.0 0.0 3.65 597 498 A 36 ALA H A 35 ASN HBx 1.0 0.0 3.65 598 499 A 36 ALA HB% A 35 ASN HBy 1.0 0.0 4.82 599 499 A 36 ALA HB% A 35 ASN HBx 1.0 0.0 4.82 600 500 A 39 LEU HD1% A 35 ASN HD2x 1.0 0.0 3.81 601 500 A 39 LEU HD1% A 35 ASN HD2y 1.0 0.0 3.81 602 501 A 36 ALA HB% A 48 ARG HDy 1.0 0.0 4.21 603 501 A 36 ALA HB% A 48 ARG HDx 1.0 0.0 4.21 604 502 A 37 CYS HA A 48 ARG HDy 1.0 0.0 4.28 605 502 A 37 CYS HA A 48 ARG HDx 1.0 0.0 4.28 606 503 A 39 LEU HA A 42 LYS HBx 1.0 0.0 3.58 607 503 A 39 LEU HA A 42 LYS HBy 1.0 0.0 3.58 608 504 A 39 LEU HD2% A 42 LYS HBx 1.0 0.0 4.42 609 504 A 39 LEU HD2% A 42 LYS HBy 1.0 0.0 4.42 610 505 A 40 TYR HB3 A 48 ARG HDy 1.0 0.0 4.30 611 505 A 40 TYR HB2 A 48 ARG HDy 1.0 0.0 4.30 612 505 A 48 ARG HDx A 40 TYR HB2 1.0 0.0 4.30 613 505 A 40 TYR HB3 A 48 ARG HDx 1.0 0.0 4.30 614 506 A 40 TYR HD% A 48 ARG HDy 1.0 0.0 4.03 615 506 A 40 TYR HD% A 48 ARG HDx 1.0 0.0 4.03 616 507 A 40 TYR HD% A 49 PRO HDy 1.0 0.0 4.61 617 507 A 40 TYR HD% A 49 PRO HDx 1.0 0.0 4.61 618 508 A 40 TYR HE% A 48 ARG HGy 1.0 0.0 4.40 619 508 A 40 TYR HE% A 48 ARG HGx 1.0 0.0 4.40 620 509 A 40 TYR HE% A 49 PRO HDy 1.0 0.0 3.58 621 509 A 40 TYR HE% A 49 PRO HDx 1.0 0.0 3.58 622 510 A 41 MET H A 41 MET HBy 1.0 0.0 3.15 623 510 A 41 MET H A 41 MET HBx 1.0 0.0 3.15 624 511 A 41 MET HA A 41 MET HGx 1.0 0.0 3.80 625 511 A 41 MET HA A 41 MET HGy 1.0 0.0 3.80 626 512 A 42 LYS H A 41 MET HBy 1.0 0.0 3.85 627 512 A 42 LYS H A 41 MET HBx 1.0 0.0 3.85 628 513 A 41 MET HE% A 41 MET HGx 1.0 0.0 3.43 629 513 A 41 MET HE% A 41 MET HGy 1.0 0.0 3.43 630 514 A 41 MET HE% A 45 GLY HAx 1.0 0.0 4.61 631 514 A 41 MET HE% A 45 GLY HAy 1.0 0.0 4.61 632 515 A 41 MET HE% A 47 PRO HBy 1.0 0.0 3.97 633 515 A 41 MET HE% A 47 PRO HBx 1.0 0.0 3.97 634 516 A 42 LYS H A 42 LYS HBx 1.0 0.0 3.06 635 516 A 42 LYS H A 42 LYS HBy 1.0 0.0 3.06 636 517 A 42 LYS H A 42 LYS HGx 1.0 0.0 4.79 637 517 A 42 LYS H A 42 LYS HGy 1.0 0.0 4.79 638 518 A 42 LYS H A 42 LYS HDx 1.0 0.0 4.80 639 518 A 42 LYS H A 42 LYS HDy 1.0 0.0 4.80 640 519 A 42 LYS HA A 42 LYS HGx 1.0 0.0 3.60 641 519 A 42 LYS HA A 42 LYS HGy 1.0 0.0 3.60 642 520 A 42 LYS HA A 42 LYS HDx 1.0 0.0 4.08 643 520 A 42 LYS HA A 42 LYS HDy 1.0 0.0 4.08 644 521 A 42 LYS HBx A 42 LYS HDx 1.0 0.0 3.28 645 521 A 42 LYS HBy A 42 LYS HDx 1.0 0.0 3.28 646 521 A 42 LYS HDy A 42 LYS HBx 1.0 0.0 3.28 647 521 A 42 LYS HBy A 42 LYS HDy 1.0 0.0 3.28 648 522 A 43 LEU H A 42 LYS HBx 1.0 0.0 3.89 649 522 A 43 LEU H A 42 LYS HBy 1.0 0.0 3.89 650 523 A 42 LYS HE2 A 42 LYS HGx 1.0 0.0 3.71 651 523 A 42 LYS HE3 A 42 LYS HGx 1.0 0.0 3.71 652 523 A 42 LYS HGy A 42 LYS HE2 1.0 0.0 3.71 653 523 A 42 LYS HGy A 42 LYS HE3 1.0 0.0 3.71 654 524 A 46 VAL HG1% A 45 GLY HAx 1.0 0.0 4.49 655 524 A 46 VAL HG1% A 45 GLY HAy 1.0 0.0 4.49 656 525 A 48 ARG H A 47 PRO HBy 1.0 0.0 3.94 657 525 A 48 ARG H A 47 PRO HBx 1.0 0.0 3.94 658 526 A 48 ARG HA A 49 PRO HDy 1.0 0.0 3.00 659 526 A 48 ARG HA A 49 PRO HDx 1.0 0.0 3.00 660 527 A 48 ARG HGy A 49 PRO HDy 1.0 0.0 3.63 661 527 A 48 ARG HGx A 49 PRO HDy 1.0 0.0 3.63 662 527 A 49 PRO HDx A 48 ARG HGy 1.0 0.0 3.63 663 527 A 49 PRO HDx A 48 ARG HGx 1.0 0.0 3.63 664 528 A 50 LEU H A 49 PRO HBy 1.0 0.0 3.75 665 528 A 50 LEU H A 49 PRO HBx 1.0 0.0 3.75 666 529 A 53 ARG H A 52 MET HBx 1.0 0.0 4.33 667 529 A 53 ARG H A 52 MET HBy 1.0 0.0 4.33 668 530 A 54 LYS HA A 54 LYS HGx 1.0 0.0 3.92 669 530 A 54 LYS HA A 54 LYS HGy 1.0 0.0 3.92 670 531 A 57 ILE HA A 57 ILE HG1x 1.0 0.0 3.86 671 531 A 57 ILE HA A 57 ILE HG1y 1.0 0.0 3.86 672 532 A 60 ARG HBy A 60 ARG HGx 1.0 0.0 2.47 673 532 A 60 ARG HBx A 60 ARG HGx 1.0 0.0 2.47 674 532 A 60 ARG HGy A 60 ARG HBy 1.0 0.0 2.47 675 532 A 60 ARG HBx A 60 ARG HGy 1.0 0.0 2.47 676 533 A 60 ARG HBx A 60 ARG HD2 1.0 0.0 3.14 677 533 A 60 ARG HBy A 60 ARG HD2 1.0 0.0 3.14 678 533 A 60 ARG HD3 A 60 ARG HBy 1.0 0.0 3.14 679 533 A 60 ARG HD3 A 60 ARG HBx 1.0 0.0 3.14 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _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 24 TRP C A 25 ARG N A 25 ARG CA A 25 ARG C 1.0 -172.9 -55.1 PHI 2 2 A 25 ARG N A 25 ARG CA A 25 ARG C A 26 ARG N 1.0 120.8 184.0 PSI 3 3 A 25 ARG C A 26 ARG N A 26 ARG CA A 26 ARG C 1.0 -151.1 -110.3 PHI 4 4 A 26 ARG N A 26 ARG CA A 26 ARG C A 27 ASN N 1.0 107.6 174.0 PSI 5 5 A 32 PRO C A 33 VAL N A 33 VAL CA A 33 VAL C 1.0 -183.0 -77.8 PHI 6 6 A 33 VAL N A 33 VAL CA A 33 VAL C A 34 CYS N 1.0 137.5 177.5 PSI 7 7 A 35 ASN C A 36 ALA N A 36 ALA CA A 36 ALA C 1.0 -83.5 -43.5 PHI 8 8 A 36 ALA N A 36 ALA CA A 36 ALA C A 37 CYS N 1.0 -56.4 -15.0 PSI 9 9 A 36 ALA C A 37 CYS N A 37 CYS CA A 37 CYS C 1.0 -85.5 -45.5 PHI 10 10 A 37 CYS N A 37 CYS CA A 37 CYS C A 38 GLY N 1.0 -64.9 -24.9 PSI 11 11 A 37 CYS C A 38 GLY N A 38 GLY CA A 38 GLY C 1.0 -85.9 -45.9 PHI 12 12 A 38 GLY N A 38 GLY CA A 38 GLY C A 39 LEU N 1.0 -60.8 -20.8 PSI 13 13 A 38 GLY C A 39 LEU N A 39 LEU CA A 39 LEU C 1.0 -104.5 -30.7 PHI 14 14 A 39 LEU N A 39 LEU CA A 39 LEU C A 40 TYR N 1.0 -66.9 -17.1 PSI 15 15 A 39 LEU C A 40 TYR N A 40 TYR CA A 40 TYR C 1.0 -84.5 -44.5 PHI 16 16 A 40 TYR N A 40 TYR CA A 40 TYR C A 41 MET N 1.0 -61.0 -21.0 PSI 17 17 A 40 TYR C A 41 MET N A 41 MET CA A 41 MET C 1.0 -85.2 -45.2 PHI 18 18 A 41 MET N A 41 MET CA A 41 MET C A 42 LYS N 1.0 -62.0 -22.0 PSI 19 19 A 41 MET C A 42 LYS N A 42 LYS CA A 42 LYS C 1.0 -86.8 -46.8 PHI 20 20 A 42 LYS N A 42 LYS CA A 42 LYS C A 43 LEU N 1.0 -58.8 -18.8 PSI stop_ save_ save_n.peaks _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode n.peaks _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 9000.9 2 1H 9000.9 3 15N 3954.9 stop_ save_ save_cali.peaks _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode cali.peaks _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 9000.9 2 1H 9000.9 3 13C 7204 stop_ save_ save_caro.peaks _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode caro.peaks _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 9000.9 2 1H 9000.9 3 13C 7204 stop_ save_