data_nef_c18946_2m36 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 2 CYS SG 1 16 CYS SG 1 9 CYS SG 1 20 CYS SG 1 15 CYS SG 1 36 CYS SG 1 27 CYS SG 1 32 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 SER start . . 2 A 2 CYS middle -HG . 3 A 3 ASN middle . . 4 A 4 SER middle . . 5 A 5 LYS middle . . 6 A 6 GLY middle . false 7 A 7 THR middle . . 8 A 8 PRO middle . false 9 A 9 CYS middle -HG . 10 A 10 THR middle . . 11 A 11 ASN middle . . 12 A 12 ALA middle . . 13 A 13 ASP middle . . 14 A 14 GLU middle . . 15 A 15 CYS middle -HG . 16 A 16 CYS middle -HG . 17 A 17 GLY middle . false 18 A 18 GLY middle . false 19 A 19 LYS middle . . 20 A 20 CYS middle -HG . 21 A 21 ALA middle . . 22 A 22 TYR middle . . 23 A 23 ASN middle . . 24 A 24 VAL middle . . 25 A 25 TRP middle . . 26 A 26 ASN middle . . 27 A 27 CYS middle -HG . 28 A 28 ILE middle . . 29 A 29 GLY middle . false 30 A 30 GLY middle . false 31 A 31 GLY middle . false 32 A 32 CYS middle -HG . 33 A 33 SER middle . . 34 A 34 LYS middle . . 35 A 35 THR middle . . 36 A 36 CYS middle -HG . 37 A 37 GLY middle . false 38 A 38 TYR end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 SER HA H 1 4.204 0.000 A 1 SER HBx H 1 3.997 0.000 A 1 SER HBy H 1 3.997 0.000 A 1 SER CB C 13 63.442 0.000 A 2 CYS HA H 1 4.714 0.000 A 2 CYS HBy H 1 3.178 0.000 A 2 CYS HBx H 1 2.877 0.000 A 2 CYS C C 13 173.194 0.000 A 2 CYS CA C 13 54.527 0.000 A 2 CYS CB C 13 42.266 0.000 A 3 ASN H H 1 9.165 0.000 A 3 ASN HA H 1 5.231 0.000 A 3 ASN HBy H 1 3.053 0.000 A 3 ASN HBx H 1 2.817 0.000 A 3 ASN HD2y H 1 8.003 0.000 A 3 ASN HD2x H 1 7.013 0.000 A 3 ASN C C 13 175.422 0.000 A 3 ASN CA C 13 52.515 0.000 A 3 ASN CB C 13 39.858 0.000 A 3 ASN N N 15 118.989 0.000 A 3 ASN ND2 N 15 114.264 0.000 A 4 SER H H 1 8.840 0.000 A 4 SER HA H 1 4.368 0.000 A 4 SER HBx H 1 3.993 0.000 A 4 SER HBy H 1 3.993 0.000 A 4 SER C C 13 174.380 0.000 A 4 SER CA C 13 58.144 0.000 A 4 SER CB C 13 64.959 0.000 A 4 SER N N 15 118.061 0.000 A 5 LYS H H 1 8.570 0.000 A 5 LYS HA H 1 3.793 0.000 A 5 LYS HBy H 1 1.772 0.000 A 5 LYS HBx H 1 1.678 0.000 A 5 LYS HDx H 1 1.505 0.000 A 5 LYS HDy H 1 1.512 0.000 A 5 LYS HEy H 1 2.852 0.000 A 5 LYS HEx H 1 2.822 0.000 A 5 LYS HGx H 1 1.288 0.000 A 5 LYS HGy H 1 1.288 0.000 A 5 LYS C C 13 176.787 0.000 A 5 LYS CA C 13 57.710 0.000 A 5 LYS CB C 13 32.685 0.000 A 5 LYS CD C 13 29.809 0.000 A 5 LYS CE C 13 42.024 0.000 A 5 LYS CG C 13 23.940 0.000 A 5 LYS N N 15 123.179 0.000 A 6 GLY H H 1 9.218 0.000 A 6 GLY HAy H 1 4.463 0.000 A 6 GLY HAx H 1 3.680 0.000 A 6 GLY C C 13 173.787 0.000 A 6 GLY CA C 13 44.885 0.000 A 6 GLY N N 15 113.621 0.000 A 7 THR H H 1 7.693 0.000 A 7 THR HA H 1 4.470 0.000 A 7 THR HB H 1 3.980 0.000 A 7 THR HG1 H 1 5.538 0.000 A 7 THR HG2% H 1 1.381 0.000 A 7 THR C C 13 175.386 0.000 A 7 THR CA C 13 61.528 0.000 A 7 THR CB C 13 70.004 0.000 A 7 THR CG2 C 13 21.059 0.000 A 7 THR N N 15 117.669 0.000 A 8 PRO HA H 1 4.846 0.000 A 8 PRO HBy H 1 2.392 0.000 A 8 PRO HBx H 1 1.820 0.000 A 8 PRO HDy H 1 4.094 0.000 A 8 PRO HDx H 1 3.675 0.000 A 8 PRO HGy H 1 2.138 0.000 A 8 PRO HGx H 1 1.931 0.000 A 8 PRO CA C 13 63.715 0.000 A 8 PRO CB C 13 32.544 0.000 A 8 PRO CD C 13 51.411 0.000 A 8 PRO CG C 13 28.169 0.000 A 9 CYS H H 1 8.053 0.000 A 9 CYS HA H 1 4.981 0.000 A 9 CYS HBx H 1 3.022 0.000 A 9 CYS HBy H 1 3.266 0.000 A 9 CYS C C 13 172.530 0.000 A 9 CYS CA C 13 53.720 0.000 A 9 CYS CB C 13 48.546 0.000 A 9 CYS N N 15 117.953 0.000 A 10 THR H H 1 9.547 0.000 A 10 THR HA H 1 4.229 0.000 A 10 THR HB H 1 4.167 0.000 A 10 THR HG2% H 1 1.153 0.000 A 10 THR C C 13 173.661 0.000 A 10 THR CA C 13 63.650 0.000 A 10 THR CB C 13 70.040 0.000 A 10 THR CG2 C 13 21.584 0.000 A 10 THR N N 15 113.269 0.000 A 11 ASN H H 1 8.256 0.000 A 11 ASN HA H 1 4.844 0.000 A 11 ASN HBy H 1 2.852 0.000 A 11 ASN HBx H 1 2.742 0.000 A 11 ASN HD2y H 1 7.688 0.000 A 11 ASN HD2x H 1 6.887 0.000 A 11 ASN C C 13 174.703 0.000 A 11 ASN CA C 13 52.019 0.000 A 11 ASN CB C 13 42.021 0.000 A 11 ASN N N 15 120.288 0.000 A 11 ASN ND2 N 15 115.033 0.000 A 12 ALA H H 1 8.720 0.000 A 12 ALA HA H 1 3.605 0.000 A 12 ALA HB% H 1 1.374 0.000 A 12 ALA C C 13 178.484 0.000 A 12 ALA CA C 13 55.905 0.000 A 12 ALA CB C 13 18.819 0.000 A 12 ALA N N 15 124.008 0.000 A 13 ASP H H 1 8.271 0.000 A 13 ASP HA H 1 4.361 0.000 A 13 ASP HBy H 1 2.690 0.000 A 13 ASP HBx H 1 2.336 0.000 A 13 ASP C C 13 177.288 0.000 A 13 ASP CA C 13 55.785 0.000 A 13 ASP CB C 13 39.745 0.000 A 13 ASP N N 15 114.276 0.000 A 14 GLU H H 1 7.521 0.000 A 14 GLU HA H 1 4.214 0.000 A 14 GLU HBy H 1 2.328 0.000 A 14 GLU HBx H 1 2.250 0.000 A 14 GLU HGy H 1 2.717 0.000 A 14 GLU HGx H 1 2.353 0.000 A 14 GLU C C 13 177.726 0.000 A 14 GLU CA C 13 57.161 0.000 A 14 GLU CB C 13 31.897 0.000 A 14 GLU CG C 13 37.097 0.000 A 14 GLU N N 15 116.666 0.000 A 15 CYS H H 1 7.896 0.000 A 15 CYS HA H 1 5.115 0.000 A 15 CYS HBy H 1 3.376 0.000 A 15 CYS HBx H 1 2.708 0.000 A 15 CYS C C 13 176.361 0.000 A 15 CYS CA C 13 53.135 0.000 A 15 CYS CB C 13 38.011 0.000 A 15 CYS N N 15 117.891 0.000 A 16 CYS H H 1 9.801 0.000 A 16 CYS HA H 1 4.512 0.000 A 16 CYS HBy H 1 3.215 0.000 A 16 CYS HBx H 1 2.765 0.000 A 16 CYS C C 13 176.428 0.000 A 16 CYS CA C 13 56.768 0.000 A 16 CYS CB C 13 38.457 0.000 A 16 CYS N N 15 127.154 0.000 A 17 GLY H H 1 9.092 0.000 A 17 GLY HAy H 1 4.076 0.000 A 17 GLY HAx H 1 3.903 0.000 A 17 GLY C C 13 175.703 0.000 A 17 GLY CA C 13 45.462 0.000 A 17 GLY N N 15 107.375 0.000 A 18 GLY H H 1 7.602 0.000 A 18 GLY HAy H 1 3.903 0.000 A 18 GLY HAx H 1 3.887 0.000 A 18 GLY C C 13 173.192 0.000 A 18 GLY CA C 13 45.942 0.000 A 18 GLY N N 15 104.733 0.000 A 19 LYS H H 1 7.561 0.000 A 19 LYS HA H 1 4.611 0.000 A 19 LYS HBy H 1 1.590 0.000 A 19 LYS HBx H 1 1.475 0.000 A 19 LYS HDy H 1 1.530 0.000 A 19 LYS HDx H 1 1.508 0.000 A 19 LYS HEx H 1 2.849 0.000 A 19 LYS HEy H 1 2.849 0.000 A 19 LYS HGy H 1 1.319 0.000 A 19 LYS HGx H 1 1.180 0.000 A 19 LYS C C 13 174.052 0.000 A 19 LYS CA C 13 54.913 0.000 A 19 LYS CB C 13 35.238 0.000 A 19 LYS CD C 13 28.989 0.000 A 19 LYS CE C 13 42.114 0.000 A 19 LYS CG C 13 24.715 0.000 A 19 LYS N N 15 117.332 0.000 A 20 CYS H H 1 8.750 0.000 A 20 CYS HA H 1 4.888 0.000 A 20 CYS HBy H 1 2.723 0.000 A 20 CYS HBx H 1 2.485 0.000 A 20 CYS C C 13 172.653 0.000 A 20 CYS CA C 13 55.450 0.000 A 20 CYS CB C 13 41.038 0.000 A 20 CYS N N 15 124.545 0.000 A 21 ALA H H 1 8.425 0.000 A 21 ALA HA H 1 4.571 0.000 A 21 ALA HB% H 1 1.342 0.000 A 21 ALA C C 13 176.192 0.000 A 21 ALA CA C 13 51.185 0.000 A 21 ALA CB C 13 22.948 0.000 A 21 ALA N N 15 129.652 0.000 A 22 TYR H H 1 8.260 0.000 A 22 TYR HA H 1 4.586 0.000 A 22 TYR HBy H 1 3.072 0.000 A 22 TYR HBx H 1 2.760 0.000 A 22 TYR HDx H 1 7.073 0.000 A 22 TYR HDy H 1 7.073 0.000 A 22 TYR HEx H 1 6.779 0.000 A 22 TYR HEy H 1 6.779 0.000 A 22 TYR C C 13 175.973 0.000 A 22 TYR CA C 13 59.127 0.000 A 22 TYR CB C 13 38.138 0.000 A 22 TYR CDx C 13 133.281 0.000 A 22 TYR CDy C 13 133.281 0.000 A 22 TYR CEx C 13 118.281 0.000 A 22 TYR CEy C 13 118.281 0.000 A 22 TYR N N 15 119.615 0.000 A 23 ASN H H 1 8.761 0.000 A 23 ASN HA H 1 4.662 0.000 A 23 ASN HBy H 1 2.604 0.000 A 23 ASN HBx H 1 2.501 0.000 A 23 ASN HD2y H 1 7.405 0.000 A 23 ASN HD2x H 1 6.736 0.000 A 23 ASN C C 13 175.296 0.000 A 23 ASN CA C 13 53.357 0.000 A 23 ASN CB C 13 38.989 0.000 A 23 ASN N N 15 122.652 0.000 A 23 ASN ND2 N 15 113.657 0.000 A 24 VAL H H 1 8.222 0.000 A 24 VAL HA H 1 4.076 0.000 A 24 VAL HB H 1 2.029 0.000 A 24 VAL HGx% H 1 0.775 0.000 A 24 VAL HGy% H 1 0.792 0.000 A 24 VAL C C 13 176.445 0.000 A 24 VAL CA C 13 62.851 0.000 A 24 VAL CB C 13 32.307 0.000 A 24 VAL CGy C 13 21.143 0.000 A 24 VAL CGx C 13 20.008 0.000 A 24 VAL N N 15 120.619 0.000 A 25 TRP H H 1 7.974 0.000 A 25 TRP HA H 1 4.477 0.000 A 25 TRP HBx H 1 3.291 0.000 A 25 TRP HBy H 1 3.291 0.000 A 25 TRP HD1 H 1 7.293 0.000 A 25 TRP HE1 H 1 10.151 0.000 A 25 TRP HE3 H 1 7.612 0.000 A 25 TRP HH2 H 1 7.097 0.000 A 25 TRP HZ2 H 1 7.466 0.000 A 25 TRP HZ3 H 1 7.159 0.000 A 25 TRP C C 13 176.192 0.000 A 25 TRP CA C 13 58.344 0.000 A 25 TRP CB C 13 28.650 0.000 A 25 TRP CD1 C 13 127.187 0.000 A 25 TRP CE3 C 13 120.625 0.000 A 25 TRP CH2 C 13 121.562 0.000 A 25 TRP CZ2 C 13 114.531 0.000 A 25 TRP CZ3 C 13 122.031 0.000 A 25 TRP N N 15 122.870 0.000 A 25 TRP NE1 N 15 129.686 0.000 A 26 ASN H H 1 7.619 0.000 A 26 ASN HA H 1 4.492 0.000 A 26 ASN HBy H 1 2.421 0.000 A 26 ASN HBx H 1 2.136 0.000 A 26 ASN HD2y H 1 7.322 0.000 A 26 ASN HD2x H 1 6.658 0.000 A 26 ASN C C 13 174.308 0.000 A 26 ASN CA C 13 52.441 0.000 A 26 ASN CB C 13 37.444 0.000 A 26 ASN N N 15 117.371 0.000 A 26 ASN ND2 N 15 110.875 0.000 A 27 CYS H H 1 7.747 0.000 A 27 CYS HA H 1 4.592 0.000 A 27 CYS HBy H 1 3.141 0.000 A 27 CYS HBx H 1 2.715 0.000 A 27 CYS C C 13 173.563 0.000 A 27 CYS CA C 13 56.965 0.000 A 27 CYS CB C 13 40.911 0.000 A 27 CYS N N 15 119.596 0.000 A 28 ILE H H 1 8.296 0.000 A 28 ILE HA H 1 3.994 0.000 A 28 ILE HB H 1 1.746 0.000 A 28 ILE HD1% H 1 0.809 0.000 A 28 ILE HG1y H 1 1.380 0.000 A 28 ILE HG1x H 1 1.059 0.000 A 28 ILE HG2% H 1 0.805 0.000 A 28 ILE C C 13 176.495 0.000 A 28 ILE CA C 13 61.032 0.000 A 28 ILE CB C 13 39.272 0.000 A 28 ILE CD1 C 13 13.011 0.000 A 28 ILE CG1 C 13 27.295 0.000 A 28 ILE CG2 C 13 17.426 0.000 A 28 ILE N N 15 123.891 0.000 A 29 GLY H H 1 8.076 0.000 A 29 GLY HAy H 1 4.077 0.000 A 29 GLY HAx H 1 3.806 0.000 A 29 GLY C C 13 174.844 0.000 A 29 GLY CA C 13 44.848 0.000 A 29 GLY N N 15 113.320 0.000 A 30 GLY H H 1 8.273 0.000 A 30 GLY HAx H 1 3.925 0.000 A 30 GLY HAy H 1 3.925 0.000 A 30 GLY C C 13 174.844 0.000 A 30 GLY CA C 13 46.215 0.000 A 30 GLY N N 15 108.103 0.000 A 31 GLY H H 1 8.457 0.000 A 31 GLY HAy H 1 4.058 0.000 A 31 GLY HAx H 1 3.854 0.000 A 31 GLY C C 13 174.574 0.000 A 31 GLY CA C 13 45.668 0.000 A 31 GLY N N 15 109.158 0.000 A 32 CYS H H 1 7.708 0.000 A 32 CYS HA H 1 4.679 0.000 A 32 CYS HBy H 1 3.132 0.000 A 32 CYS HBx H 1 2.932 0.000 A 32 CYS C C 13 174.111 0.000 A 32 CYS CA C 13 55.450 0.000 A 32 CYS CB C 13 42.316 0.000 A 32 CYS N N 15 118.532 0.000 A 33 SER H H 1 8.559 0.000 A 33 SER HA H 1 4.628 0.000 A 33 SER HBx H 1 3.906 0.000 A 33 SER HBy H 1 3.909 0.000 A 33 SER C C 13 174.102 0.000 A 33 SER CA C 13 58.439 0.000 A 33 SER CB C 13 64.587 0.000 A 33 SER N N 15 117.584 0.000 A 34 LYS H H 1 8.492 0.000 A 34 LYS HA H 1 4.162 0.000 A 34 LYS HBy H 1 1.693 0.000 A 34 LYS HBx H 1 1.391 0.000 A 34 LYS HDx H 1 1.240 0.000 A 34 LYS HEy H 1 2.597 0.000 A 34 LYS HEx H 1 2.563 0.000 A 34 LYS HGy H 1 0.958 0.000 A 34 LYS HGx H 1 0.253 0.000 A 34 LYS C C 13 177.288 0.000 A 34 LYS CA C 13 57.327 0.000 A 34 LYS CB C 13 34.576 0.000 A 34 LYS CD C 13 29.842 0.000 A 34 LYS CE C 13 41.805 0.000 A 34 LYS CG C 13 25.839 0.000 A 34 LYS N N 15 123.934 0.000 A 35 THR H H 1 8.621 0.000 A 35 THR HA H 1 5.011 0.000 A 35 THR HB H 1 3.667 0.000 A 35 THR HG1 H 1 5.458 0.000 A 35 THR HG2% H 1 0.953 0.000 A 35 THR C C 13 175.979 0.000 A 35 THR CA C 13 60.111 0.000 A 35 THR CB C 13 74.169 0.000 A 35 THR CG2 C 13 22.383 0.000 A 35 THR N N 15 111.686 0.000 A 36 CYS H H 1 8.851 0.000 A 36 CYS HA H 1 5.365 0.000 A 36 CYS HBx H 1 2.856 0.000 A 36 CYS HBy H 1 3.415 0.000 A 36 CYS C C 13 177.591 0.000 A 36 CYS CA C 13 53.590 0.000 A 36 CYS CB C 13 36.183 0.000 A 36 CYS N N 15 120.499 0.000 A 37 GLY H H 1 8.725 0.000 A 37 GLY HAy H 1 4.151 0.000 A 37 GLY HAx H 1 3.811 0.000 A 37 GLY C C 13 171.490 0.000 A 37 GLY CA C 13 45.204 0.000 A 37 GLY N N 15 112.382 0.000 A 38 TYR H H 1 7.793 0.000 A 38 TYR HA H 1 4.341 0.000 A 38 TYR HBy H 1 3.029 0.000 A 38 TYR HBx H 1 2.852 0.000 A 38 TYR HDx H 1 7.122 0.000 A 38 TYR HDy H 1 7.122 0.000 A 38 TYR HEx H 1 6.785 0.000 A 38 TYR HEy H 1 6.785 0.000 A 38 TYR CA C 13 59.614 0.000 A 38 TYR CB C 13 40.200 0.000 A 38 TYR CDx C 13 133.281 0.000 A 38 TYR CDy C 13 133.281 0.000 A 38 TYR CEx C 13 118.281 0.000 A 38 TYR CEy C 13 118.281 0.000 A 38 TYR N N 15 123.747 0.000 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 3 ASN H A 3 ASN HBy 1.0 . 2.82 2 2 A 4 SER H A 7 THR HB 1.0 . 3.33 3 3 A 5 LYS H A 5 LYS HBy 1.0 . 3.44 4 4 A 5 LYS H A 5 LYS HBx 1.0 . 3.42 5 5 A 5 LYS H A 36 CYS HBx 1.0 . 5.35 6 6 A 6 GLY H A 6 GLY HAy 1.0 . 2.90 7 7 A 9 CYS H A 9 CYS HBy 1.0 . 3.66 8 8 A 9 CYS H A 9 CYS HBx 1.0 . 4.08 9 9 A 9 CYS HA A 10 THR H 1.0 . 2.70 10 10 A 10 THR H A 10 THR HB 1.0 . 3.22 11 11 A 10 THR H A 10 THR HG2% 1.0 . 3.96 12 12 A 11 ASN H A 11 ASN HBy 1.0 . 2.97 13 13 A 12 ALA H A 12 ALA HB% 1.0 . 2.62 14 14 A 14 GLU H A 14 GLU HBy 1.0 . 2.48 15 15 A 15 CYS H A 15 CYS HBx 1.0 . 3.81 16 16 A 15 CYS H A 15 CYS HBy 1.0 . 2.72 17 17 A 16 CYS H A 16 CYS HBy 1.0 . 3.77 18 18 A 16 CYS H A 16 CYS HBx 1.0 . 3.77 19 19 A 19 LYS H A 19 LYS HGx 1.0 . 3.41 20 20 A 19 LYS H A 19 LYS HGy 1.0 . 3.63 21 21 A 20 CYS H A 20 CYS HBy 1.0 . 3.56 22 22 A 20 CYS H A 20 CYS HBx 1.0 . 3.32 23 23 A 21 ALA H A 21 ALA HB% 1.0 . 2.99 24 24 A 22 TYR H A 22 TYR HBy 1.0 . 3.60 25 25 A 22 TYR H A 22 TYR HBx 1.0 . 3.02 26 26 A 22 TYR H A 22 TYR HEx 1.0 . 4.49 27 26 A 22 TYR H A 22 TYR HEy 1.0 . 4.49 28 27 A 22 TYR H A 22 TYR HDy 1.0 . 3.13 29 27 A 22 TYR H A 22 TYR HDx 1.0 . 3.13 30 28 A 23 ASN H A 23 ASN HBy 1.0 . 3.13 31 29 A 24 VAL H A 24 VAL HB 1.0 . 3.25 32 30 A 25 TRP H A 25 TRP HBy 1.0 . 3.04 33 31 A 26 ASN H A 26 ASN HBy 1.0 . 3.29 34 32 A 26 ASN H A 26 ASN HBx 1.0 . 3.36 35 33 A 27 CYS H A 27 CYS HBy 1.0 . 3.13 36 34 A 27 CYS H A 27 CYS HBx 1.0 . 3.13 37 35 A 28 ILE H A 28 ILE HB 1.0 . 2.88 38 36 A 28 ILE H A 28 ILE HG1y 1.0 . 3.76 39 37 A 28 ILE H A 28 ILE HG1x 1.0 . 3.76 40 38 A 28 ILE H A 28 ILE HD1% 1.0 . 5.50 41 39 A 32 CYS H A 32 CYS HBx 1.0 . 3.71 42 40 A 32 CYS H A 32 CYS HBy 1.0 . 2.82 43 41 A 34 LYS H A 34 LYS HBy 1.0 . 2.72 44 42 A 34 LYS H A 34 LYS HBx 1.0 . 3.78 45 43 A 34 LYS H A 34 LYS HGx 1.0 . 2.77 46 44 A 34 LYS H A 34 LYS HGy 1.0 . 3.62 47 45 A 35 THR H A 35 THR HB 1.0 . 3.89 48 46 A 36 CYS H A 36 CYS HBy 1.0 . 3.66 49 47 A 36 CYS HBx A 36 CYS H 1.0 . 2.63 50 48 A 37 GLY H A 37 GLY HAx 1.0 . 2.63 51 49 A 38 TYR H A 38 TYR HDx 1.0 . 3.52 52 49 A 38 TYR H A 38 TYR HDy 1.0 . 3.52 53 50 A 3 ASN H A 7 THR HG2% 1.0 . 5.50 54 51 A 3 ASN H A 15 CYS HBx 1.0 . 4.95 55 52 A 3 ASN H A 15 CYS HA 1.0 . 2.85 56 53 A 3 ASN H A 2 CYS HA 1.0 . 2.78 57 54 A 3 ASN H A 16 CYS HA 1.0 . 4.41 58 55 A 3 ASN H A 4 SER HA 1.0 . 4.87 59 56 A 3 ASN H A 14 GLU HA 1.0 . 4.54 60 57 A 3 ASN H A 16 CYS H 1.0 . 3.26 61 58 A 3 ASN H A 4 SER H 1.0 . 4.63 62 59 A 3 ASN H A 3 ASN HD2y 1.0 . 4.19 63 60 A 7 THR H A 35 THR HG2% 1.0 . 4.12 64 61 A 7 THR HG2% A 7 THR H 1.0 . 3.99 65 62 A 7 THR H A 6 GLY HAx 1.0 . 3.39 66 63 A 36 CYS HBx A 7 THR H 1.0 . 2.95 67 64 A 3 ASN HBy A 7 THR H 1.0 . 5.50 68 65 A 36 CYS HBy A 7 THR H 1.0 . 3.99 69 66 A 7 THR HB A 7 THR H 1.0 . 2.69 70 67 A 7 THR H A 35 THR HA 1.0 . 4.74 71 68 A 7 THR H A 36 CYS HA 1.0 . 5.18 72 69 A 7 THR H A 7 THR HG1 1.0 . 3.06 73 70 A 4 SER HA A 7 THR H 1.0 . 5.50 74 71 A 5 LYS H A 7 THR H 1.0 . 5.01 75 72 A 4 SER H A 7 THR HG2% 1.0 . 3.92 76 73 A 4 SER H A 3 ASN HBx 1.0 . 3.04 77 74 A 3 ASN HBy A 4 SER H 1.0 . 3.55 78 75 A 4 SER H A 7 THR HG1 1.0 . 4.00 79 76 A 4 SER H A 3 ASN HA 1.0 . 2.55 80 77 A 4 SER H A 7 THR H 1.0 . 4.97 81 78 A 5 LYS H A 4 SER HA 1.0 . 3.06 82 79 A 6 GLY H A 35 THR HG2% 1.0 . 4.12 83 80 A 5 LYS HBy A 6 GLY H 1.0 . 4.23 84 81 A 36 CYS HBx A 6 GLY H 1.0 . 3.29 85 82 A 6 GLY H A 36 CYS HBy 1.0 . 4.20 86 83 A 6 GLY H A 5 LYS HA 1.0 . 2.40 87 84 A 6 GLY H A 37 GLY HAy 1.0 . 4.30 88 85 A 6 GLY H A 35 THR HA 1.0 . 5.29 89 86 A 6 GLY H A 36 CYS HA 1.0 . 5.02 90 87 A 6 GLY H A 7 THR H 1.0 . 2.94 91 88 A 5 LYS H A 6 GLY H 1.0 . 4.90 92 89 A 9 CYS H A 35 THR HG2% 1.0 . 4.21 93 90 A 9 CYS H A 34 LYS HBx 1.0 . 4.60 94 91 A 9 CYS H A 34 LYS HBy 1.0 . 3.63 95 92 A 9 CYS H A 8 PRO HBx 1.0 . 3.93 96 93 A 9 CYS H A 8 PRO HBy 1.0 . 3.93 97 94 A 9 CYS H A 34 LYS HA 1.0 . 4.95 98 95 A 9 CYS H A 8 PRO HA 1.0 . 2.60 99 96 A 9 CYS H A 10 THR H 1.0 . 4.42 100 97 A 10 THR H A 14 GLU HBy 1.0 . 3.66 101 98 A 9 CYS HBx A 10 THR H 1.0 . 2.95 102 99 A 9 CYS HBy A 10 THR H 1.0 . 3.68 103 100 A 10 THR HG2% A 11 ASN H 1.0 . 4.32 104 101 A 11 ASN H A 12 ALA HB% 1.0 . 5.50 105 102 A 9 CYS HBx A 11 ASN H 1.0 . 3.13 106 103 A 9 CYS HBy A 11 ASN H 1.0 . 4.42 107 104 A 11 ASN H A 12 ALA HA 1.0 . 5.00 108 105 A 10 THR HB A 11 ASN H 1.0 . 3.44 109 106 A 12 ALA H A 20 CYS HBx 1.0 . 3.65 110 107 A 12 ALA H A 11 ASN HBx 1.0 . 2.96 111 108 A 12 ALA H A 13 ASP HA 1.0 . 5.33 112 109 A 12 ALA H A 14 GLU H 1.0 . 4.82 113 110 A 12 ALA H A 11 ASN HA 1.0 . 2.73 114 111 A 12 ALA HB% A 13 ASP H 1.0 . 2.93 115 112 A 14 GLU HA A 13 ASP H 1.0 . 5.43 116 113 A 11 ASN HA A 13 ASP H 1.0 . 4.36 117 114 A 12 ALA HB% A 14 GLU H 1.0 . 4.45 118 115 A 9 CYS HBx A 14 GLU H 1.0 . 4.94 119 116 A 14 GLU H A 12 ALA HA 1.0 . 4.22 120 117 A 12 ALA HB% A 15 CYS H 1.0 . 4.49 121 118 A 15 CYS H A 12 ALA HA 1.0 . 3.84 122 119 A 15 CYS H A 18 GLY HAy 1.0 . 4.42 123 120 A 15 CYS H A 14 GLU HA 1.0 . 3.52 124 121 A 15 CYS H A 13 ASP HA 1.0 . 3.81 125 122 A 3 ASN HBy A 16 CYS H 1.0 . 4.26 126 123 A 15 CYS HBx A 16 CYS H 1.0 . 3.60 127 124 A 16 CYS H A 4 SER HA 1.0 . 4.37 128 125 A 15 CYS HBx A 17 GLY H 1.0 . 4.30 129 126 A 17 GLY H A 16 CYS HBy 1.0 . 4.23 130 127 A 15 CYS HBx A 18 GLY H 1.0 . 3.40 131 128 A 15 CYS HBy A 18 GLY H 1.0 . 3.15 132 129 A 12 ALA HB% A 18 GLY H 1.0 . 4.64 133 130 A 19 LYS HGy A 20 CYS H 1.0 . 5.01 134 131 A 12 ALA HB% A 20 CYS H 1.0 . 3.20 135 132 A 20 CYS H A 12 ALA HA 1.0 . 3.82 136 133 A 21 ALA H A 35 THR HG2% 1.0 . 5.27 137 134 A 20 CYS HBx A 21 ALA H 1.0 . 4.44 138 135 A 20 CYS HBy A 21 ALA H 1.0 . 4.62 139 136 A 21 ALA H A 34 LYS HA 1.0 . 4.26 140 137 A 21 ALA H A 34 LYS HBy 1.0 . 4.31 141 138 A 22 TYR H A 34 LYS HGx 1.0 . 4.26 142 139 A 22 TYR H A 34 LYS HBy 1.0 . 4.67 143 140 A 22 TYR H A 34 LYS HA 1.0 . 4.23 144 141 A 11 ASN H A 14 GLU HBy 1.0 . 3.26 145 142 A 5 LYS H A 37 GLY HAy 1.0 . 5.50 146 143 A 4 SER H A 5 LYS H 1.0 . 4.85 147 144 A 9 CYS H A 34 LYS H 1.0 . 4.08 148 145 A 11 ASN H A 11 ASN HD2x 1.0 . 5.10 149 146 A 11 ASN H A 14 GLU H 1.0 . 4.58 150 147 A 11 ASN H A 12 ALA H 1.0 . 4.74 151 148 A 10 THR H A 11 ASN H 1.0 . 2.40 152 149 A 14 GLU H A 13 ASP H 1.0 . 3.03 153 150 A 12 ALA H A 13 ASP H 1.0 . 2.99 154 151 A 10 THR H A 14 GLU H 1.0 . 5.38 155 152 A 3 ASN H A 15 CYS H 1.0 . 4.75 156 153 A 15 CYS H A 13 ASP H 1.0 . 4.26 157 154 A 12 ALA H A 15 CYS H 1.0 . 5.50 158 155 A 15 CYS H A 16 CYS H 1.0 . 4.47 159 156 A 14 GLU H A 15 CYS H 1.0 . 2.92 160 157 A 16 CYS H A 15 CYS HA 1.0 . 2.74 161 158 A 17 GLY H A 16 CYS HBx 1.0 . 4.23 162 159 A 16 CYS HA A 18 GLY H 1.0 . 4.39 163 160 A 13 ASP HA A 18 GLY H 1.0 . 5.50 164 161 A 15 CYS HA A 18 GLY H 1.0 . 4.82 165 162 A 17 GLY H A 18 GLY H 1.0 . 3.33 166 163 A 16 CYS H A 18 GLY H 1.0 . 4.42 167 164 A 15 CYS HBy A 19 LYS H 1.0 . 3.28 168 165 A 15 CYS HBx A 19 LYS H 1.0 . 3.49 169 166 A 19 LYS H A 20 CYS HA 1.0 . 4.80 170 167 A 19 LYS H A 36 CYS HA 1.0 . 4.52 171 168 A 19 LYS H A 20 CYS H 1.0 . 3.74 172 169 A 19 LYS H A 17 GLY H 1.0 . 4.69 173 170 A 21 ALA H A 20 CYS HA 1.0 . 2.47 174 171 A 21 ALA H A 36 CYS HA 1.0 . 3.96 175 172 A 20 CYS H A 21 ALA H 1.0 . 4.46 176 173 A 22 TYR H A 34 LYS HGy 1.0 . 3.56 177 174 A 22 TYR H A 23 ASN H 1.0 . 4.75 178 175 A 23 ASN H A 35 THR HG2% 1.0 . 4.87 179 176 A 22 TYR HBx A 23 ASN H 1.0 . 4.01 180 177 A 22 TYR HBy A 23 ASN H 1.0 . 3.25 181 178 A 23 ASN H A 23 ASN HD2x 1.0 . 4.26 182 179 A 23 ASN H A 22 TYR HDx 1.0 . 4.23 183 179 A 23 ASN H A 22 TYR HDy 1.0 . 4.23 184 180 A 23 ASN H A 23 ASN HD2y 1.0 . 4.15 185 181 A 23 ASN H A 24 VAL H 1.0 . 3.73 186 182 A 24 VAL H A 23 ASN HBx 1.0 . 4.14 187 183 A 22 TYR HBy A 24 VAL H 1.0 . 4.24 188 184 A 24 VAL H A 25 TRP HA 1.0 . 5.11 189 185 A 24 VAL H A 23 ASN HA 1.0 . 2.72 190 186 A 24 VAL H A 22 TYR HDx 1.0 . 4.77 191 186 A 24 VAL H A 22 TYR HDy 1.0 . 4.77 192 187 A 24 VAL H A 26 ASN H 1.0 . 5.50 193 188 A 24 VAL HB A 25 TRP H 1.0 . 3.77 194 189 A 25 TRP H A 24 VAL HA 1.0 . 2.71 195 190 A 25 TRP H A 25 TRP HD1 1.0 . 3.64 196 191 A 26 ASN H A 27 CYS HBx 1.0 . 4.88 197 192 A 26 ASN H A 27 CYS HBy 1.0 . 4.88 198 193 A 26 ASN H A 24 VAL HA 1.0 . 4.46 199 194 A 26 ASN H A 26 ASN HD2y 1.0 . 4.23 200 195 A 25 TRP H A 26 ASN H 1.0 . 3.04 201 196 A 26 ASN HBx A 27 CYS H 1.0 . 4.23 202 197 A 26 ASN HBy A 27 CYS H 1.0 . 4.36 203 198 A 27 CYS H A 24 VAL HA 1.0 . 5.07 204 199 A 27 CYS H A 28 ILE H 1.0 . 3.40 205 200 A 28 ILE H A 27 CYS HA 1.0 . 2.83 206 201 A 26 ASN H A 28 ILE H 1.0 . 5.50 207 202 A 28 ILE HG2% A 29 GLY H 1.0 . 3.97 208 203 A 28 ILE HB A 29 GLY H 1.0 . 4.45 209 204 A 30 GLY H A 29 GLY HAy 1.0 . 3.43 210 205 A 29 GLY H A 30 GLY H 1.0 . 4.57 211 206 A 30 GLY H A 31 GLY H 1.0 . 3.51 212 207 A 32 CYS H A 22 TYR HEx 1.0 . 4.67 213 207 A 32 CYS H A 22 TYR HEy 1.0 . 4.67 214 208 A 32 CYS H A 31 GLY H 1.0 . 2.99 215 209 A 32 CYS H A 30 GLY H 1.0 . 3.83 216 210 A 34 LYS HGx A 33 SER H 1.0 . 5.48 217 211 A 22 TYR HBx A 33 SER H 1.0 . 4.66 218 212 A 32 CYS HBy A 33 SER H 1.0 . 3.67 219 213 A 32 CYS HBx A 33 SER H 1.0 . 3.02 220 214 A 34 LYS HA A 33 SER H 1.0 . 4.98 221 215 A 33 SER H A 22 TYR HEx 1.0 . 5.50 222 215 A 33 SER H A 22 TYR HEy 1.0 . 5.50 223 216 A 33 SER H A 22 TYR HDx 1.0 . 4.44 224 216 A 33 SER H A 22 TYR HDy 1.0 . 4.44 225 217 A 32 CYS H A 33 SER H 1.0 . 4.70 226 218 A 22 TYR HBx A 34 LYS H 1.0 . 4.95 227 219 A 34 LYS H A 33 SER HA 1.0 . 2.41 228 220 A 34 LYS H A 22 TYR HEx 1.0 . 4.76 229 220 A 34 LYS H A 22 TYR HEy 1.0 . 4.76 230 221 A 34 LYS H A 22 TYR HDx 1.0 . 4.31 231 221 A 34 LYS H A 22 TYR HDy 1.0 . 4.31 232 222 A 34 LYS HGy A 35 THR H 1.0 . 4.39 233 223 A 35 THR H A 35 THR HG2% 1.0 . 3.50 234 224 A 34 LYS HBx A 35 THR H 1.0 . 2.87 235 225 A 34 LYS HBy A 35 THR H 1.0 . 4.01 236 226 A 22 TYR HBx A 35 THR H 1.0 . 4.84 237 227 A 22 TYR HBy A 35 THR H 1.0 . 5.27 238 228 A 35 THR H A 34 LYS HA 1.0 . 2.40 239 229 A 35 THR H A 23 ASN HD2x 1.0 . 4.31 240 230 A 35 THR H A 22 TYR HDx 1.0 . 4.98 241 230 A 35 THR H A 22 TYR HDy 1.0 . 4.98 242 231 A 35 THR H A 23 ASN HD2y 1.0 . 4.50 243 232 A 9 CYS H A 35 THR H 1.0 . 4.94 244 233 A 22 TYR H A 35 THR H 1.0 . 3.91 245 234 A 21 ALA H A 35 THR H 1.0 . 2.83 246 235 A 36 CYS H A 35 THR HG2% 1.0 . 3.32 247 236 A 36 CYS H A 7 THR HG2% 1.0 . 4.87 248 237 A 35 THR HB A 36 CYS H 1.0 . 2.72 249 238 A 36 CYS H A 5 LYS HA 1.0 . 4.06 250 239 A 7 THR HB A 36 CYS H 1.0 . 4.09 251 240 A 36 CYS H A 37 GLY HAy 1.0 . 5.29 252 241 A 6 GLY HAy A 36 CYS H 1.0 . 4.75 253 242 A 36 CYS H A 7 THR HA 1.0 . 5.22 254 243 A 36 CYS H A 35 THR HA 1.0 . 2.40 255 244 A 36 CYS H A 7 THR HG1 1.0 . 5.35 256 245 A 36 CYS H A 7 THR H 1.0 . 3.35 257 246 A 6 GLY H A 36 CYS H 1.0 . 3.57 258 247 A 19 LYS HGx A 37 GLY H 1.0 . 4.03 259 248 A 37 GLY H A 19 LYS HBx 1.0 . 3.58 260 249 A 5 LYS HBy A 37 GLY H 1.0 . 5.07 261 250 A 15 CYS HBy A 37 GLY H 1.0 . 4.85 262 251 A 36 CYS HBx A 37 GLY H 1.0 . 4.26 263 252 A 36 CYS HBy A 37 GLY H 1.0 . 3.02 264 253 A 37 GLY H A 38 TYR HA 1.0 . 4.95 265 254 A 37 GLY H A 19 LYS HA 1.0 . 4.76 266 255 A 37 GLY H A 20 CYS HA 1.0 . 4.28 267 256 A 37 GLY H A 36 CYS HA 1.0 . 2.40 268 257 A 19 LYS H A 37 GLY H 1.0 . 3.83 269 258 A 37 GLY H A 38 TYR H 1.0 . 3.37 270 259 A 19 LYS HGx A 38 TYR H 1.0 . 3.79 271 260 A 15 CYS HBx A 38 TYR H 1.0 . 5.06 272 261 A 37 GLY HAx A 38 TYR H 1.0 . 2.84 273 262 A 38 TYR H A 36 CYS HA 1.0 . 4.64 274 263 A 7 THR HG2% A 3 ASN HD2y 1.0 . 3.72 275 264 A 3 ASN HBy A 3 ASN HD2y 1.0 . 3.33 276 265 A 7 THR HB A 3 ASN HD2y 1.0 . 4.98 277 266 A 4 SER H A 3 ASN HD2y 1.0 . 5.38 278 267 A 25 TRP HBy A 25 TRP HE1 1.0 . 4.88 279 268 A 10 THR HG2% A 11 ASN HD2y 1.0 . 4.14 280 269 A 11 ASN HBx A 11 ASN HD2y 1.0 . 3.24 281 270 A 10 THR HB A 11 ASN HD2y 1.0 . 4.84 282 271 A 11 ASN H A 11 ASN HD2y 1.0 . 4.77 283 272 A 12 ALA H A 11 ASN HD2y 1.0 . 4.85 284 273 A 35 THR HG2% A 23 ASN HD2y 1.0 . 4.69 285 274 A 21 ALA HB% A 23 ASN HD2y 1.0 . 5.12 286 275 A 34 LYS HA A 23 ASN HD2y 1.0 . 5.50 287 276 A 23 ASN HD2y A 23 ASN HA 1.0 . 4.69 288 277 A 21 ALA H A 23 ASN HD2y 1.0 . 5.50 289 278 A 28 ILE HD1% A 26 ASN HD2y 1.0 . 5.19 290 279 A 26 ASN HD2y A 26 ASN HA 1.0 . 4.63 291 280 A 7 THR HG2% A 3 ASN HD2x 1.0 . 3.78 292 281 A 3 ASN HBy A 3 ASN HD2x 1.0 . 3.61 293 282 A 3 ASN H A 3 ASN HD2x 1.0 . 4.97 294 283 A 10 THR HG2% A 11 ASN HD2x 1.0 . 3.96 295 284 A 11 ASN HBx A 11 ASN HD2x 1.0 . 3.63 296 285 A 10 THR HB A 11 ASN HD2x 1.0 . 4.40 297 286 A 12 ALA H A 11 ASN HD2x 1.0 . 5.50 298 287 A 35 THR HG2% A 23 ASN HD2x 1.0 . 5.31 299 288 A 21 ALA HB% A 23 ASN HD2x 1.0 . 4.34 300 289 A 34 LYS HA A 23 ASN HD2x 1.0 . 5.50 301 290 A 21 ALA H A 23 ASN HD2x 1.0 . 4.55 302 291 A 28 ILE HD1% A 26 ASN HD2x 1.0 . 5.50 303 292 A 26 ASN HBy A 26 ASN HD2x 1.0 . 4.00 304 293 A 5 LYS HBy A 38 TYR H 1.0 . 4.53 305 294 A 30 GLY H A 29 GLY HAx 1.0 . 3.43 306 295 A 21 ALA H A 34 LYS HGy 1.0 . 4.78 307 296 A 9 CYS HA A 11 ASN H 1.0 . 4.21 308 297 A 20 CYS H A 19 LYS HA 1.0 . 2.60 309 298 A 19 LYS HGy A 37 GLY H 1.0 . 4.91 310 299 A 37 GLY H A 19 LYS HBy 1.0 . 3.58 311 300 A 3 ASN HD2y A 3 ASN HA 1.0 . 5.10 312 301 A 3 ASN HA A 3 ASN HD2x 1.0 . 4.82 313 302 A 7 THR HB A 3 ASN HD2x 1.0 . 5.50 314 303 A 35 THR H A 20 CYS HA 1.0 . 4.29 315 304 A 27 CYS H A 26 ASN HA 1.0 . 3.39 316 305 A 23 ASN HBy A 23 ASN HD2y 1.0 . 3.24 317 306 A 23 ASN HBy A 23 ASN HD2x 1.0 . 3.67 318 307 A 11 ASN HBy A 12 ALA H 1.0 . 3.74 319 308 A 11 ASN HBy A 13 ASP H 1.0 . 3.13 320 309 A 11 ASN H A 10 THR HA 1.0 . 3.39 321 310 A 5 LYS HBx A 6 GLY H 1.0 . 4.10 322 311 A 10 THR H A 11 ASN HBy 1.0 . 4.82 323 312 A 7 THR HB A 3 ASN HA 1.0 . 4.97 324 313 A 7 THR HG2% A 3 ASN HA 1.0 . 4.58 325 314 A 3 ASN HBy A 7 THR HB 1.0 . 3.72 326 315 A 3 ASN HBy A 7 THR HG2% 1.0 . 3.70 327 316 A 7 THR HG2% A 3 ASN HBx 1.0 . 3.44 328 317 A 7 THR HB A 3 ASN HBx 1.0 . 3.45 329 318 A 7 THR HA A 8 PRO HDx 1.0 . 3.02 330 319 A 35 THR HG2% A 8 PRO HA 1.0 . 3.18 331 320 A 14 GLU HA A 14 GLU HGx 1.0 . 3.98 332 321 A 14 GLU HA A 14 GLU HGy 1.0 . 3.98 333 322 A 19 LYS HGy A 19 LYS HA 1.0 . 3.65 334 323 A 22 TYR HA A 22 TYR HDx 1.0 . 3.78 335 323 A 22 TYR HA A 22 TYR HDy 1.0 . 3.78 336 324 A 12 ALA HB% A 18 GLY HAx 1.0 . 4.18 337 325 A 34 LYS HGy A 34 LYS HA 1.0 . 3.65 338 326 A 36 CYS HA A 20 CYS HA 1.0 . 3.44 339 327 A 2 CYS HA A 14 GLU HA 1.0 . 4.80 340 328 A 32 CYS HBx A 22 TYR HDx 1.0 . 4.33 341 328 A 32 CYS HBx A 22 TYR HDy 1.0 . 4.33 342 329 A 32 CYS HBy A 22 TYR HEx 1.0 . 4.37 343 329 A 32 CYS HBy A 22 TYR HEy 1.0 . 4.37 344 330 A 32 CYS HBy A 22 TYR HDx 1.0 . 4.36 345 330 A 32 CYS HBy A 22 TYR HDy 1.0 . 4.36 346 331 A 5 LYS HA A 37 GLY HAy 1.0 . 4.39 347 332 A 6 GLY HAy A 35 THR HG2% 1.0 . 4.46 348 333 A 35 THR HG2% A 6 GLY HAx 1.0 . 4.88 349 334 A 7 THR HG2% A 7 THR HA 1.0 . 3.25 350 335 A 7 THR HA A 8 PRO HGx 1.0 . 4.69 351 336 A 7 THR HA A 8 PRO HGy 1.0 . 4.69 352 337 A 7 THR HB A 8 PRO HDy 1.0 . 4.34 353 338 A 7 THR HB A 8 PRO HDx 1.0 . 5.13 354 339 A 35 THR HA A 8 PRO HA 1.0 . 3.09 355 340 A 7 THR HG2% A 8 PRO HDx 1.0 . 3.64 356 341 A 7 THR HG2% A 8 PRO HDy 1.0 . 3.27 357 342 A 7 THR HA A 8 PRO HDy 1.0 . 3.23 358 343 A 9 CYS HA A 14 GLU HBy 1.0 . 4.39 359 344 A 9 CYS HBy A 14 GLU HBy 1.0 . 3.78 360 345 A 9 CYS HBx A 14 GLU HBy 1.0 . 3.63 361 346 A 10 THR HG2% A 10 THR HA 1.0 . 3.35 362 347 A 20 CYS HBx A 11 ASN HA 1.0 . 4.52 363 348 A 3 ASN HBy A 15 CYS HA 1.0 . 3.68 364 349 A 12 ALA HB% A 20 CYS HBy 1.0 . 3.78 365 350 A 12 ALA HB% A 18 GLY HAy 1.0 . 4.08 366 351 A 12 ALA HB% A 19 LYS HA 1.0 . 3.66 367 352 A 12 ALA HB% A 13 ASP HA 1.0 . 4.23 368 353 A 27 CYS HA A 24 VAL HGx% 1.0 . 5.38 369 354 A 27 CYS HA A 24 VAL HGy% 1.0 . 5.38 370 355 A 16 CYS HA A 2 CYS HBx 1.0 . 3.63 371 356 A 16 CYS HA A 2 CYS HBy 1.0 . 3.63 372 357 A 12 ALA HA A 19 LYS HA 1.0 . 4.79 373 358 A 18 GLY HAy A 19 LYS HA 1.0 . 4.92 374 359 A 19 LYS HA A 18 GLY HAx 1.0 . 5.36 375 360 A 19 LYS HGx A 37 GLY HAx 1.0 . 4.10 376 361 A 21 ALA HB% A 20 CYS HA 1.0 . 4.05 377 362 A 20 CYS HBy A 12 ALA HA 1.0 . 3.29 378 363 A 24 VAL HGy% A 27 CYS HBx 1.0 . 4.98 379 364 A 24 VAL HB A 27 CYS HBx 1.0 . 4.41 380 365 A 20 CYS HBx A 12 ALA HA 1.0 . 3.42 381 366 A 12 ALA HB% A 20 CYS HBx 1.0 . 3.78 382 367 A 34 LYS HGy A 21 ALA HA 1.0 . 4.22 383 368 A 34 LYS HGy A 22 TYR HA 1.0 . 4.74 384 369 A 24 VAL HA A 24 VAL HGx% 1.0 . 4.01 385 370 A 24 VAL HB A 27 CYS HBy 1.0 . 4.41 386 371 A 24 VAL HGx% A 27 CYS HBx 1.0 . 4.98 387 372 A 27 CYS HBy A 24 VAL HGx% 1.0 . 4.98 388 373 A 24 VAL HA A 24 VAL HGy% 1.0 . 4.01 389 374 A 25 TRP HBy A 25 TRP HA 1.0 . 2.99 390 375 A 25 TRP HA A 25 TRP HE3 1.0 . 4.51 391 376 A 25 TRP HBy A 25 TRP HE3 1.0 . 4.21 392 377 A 24 VAL HGy% A 27 CYS HBy 1.0 . 4.98 393 378 A 28 ILE HG2% A 28 ILE HA 1.0 . 3.45 394 379 A 28 ILE HB A 28 ILE HD1% 1.0 . 3.70 395 380 A 34 LYS HGx A 33 SER HA 1.0 . 4.35 396 381 A 34 LYS HGy A 33 SER HA 1.0 . 5.49 397 382 A 33 SER HA A 22 TYR HEx 1.0 . 5.50 398 382 A 33 SER HA A 22 TYR HEy 1.0 . 5.50 399 383 A 33 SER HA A 22 TYR HDx 1.0 . 4.14 400 383 A 33 SER HA A 22 TYR HDy 1.0 . 4.14 401 384 A 34 LYS HGx A 34 LYS HA 1.0 . 3.75 402 385 A 34 LYS HA A 22 TYR HDx 1.0 . 4.24 403 385 A 34 LYS HA A 22 TYR HDy 1.0 . 4.24 404 386 A 35 THR HG2% A 35 THR HA 1.0 . 3.11 405 387 A 6 GLY HAy A 35 THR HB 1.0 . 4.34 406 388 A 20 CYS HBy A 36 CYS HA 1.0 . 4.33 407 389 A 15 CYS HBy A 36 CYS HBy 1.0 . 5.00 408 390 A 36 CYS HBy A 5 LYS HA 1.0 . 3.83 409 391 A 36 CYS HBx A 5 LYS HA 1.0 . 3.69 410 392 A 7 THR HB A 36 CYS HBx 1.0 . 4.57 411 393 A 19 LYS HGx A 38 TYR HA 1.0 . 4.85 412 394 A 38 TYR HA A 38 TYR HDx 1.0 . 3.99 413 394 A 38 TYR HA A 38 TYR HDy 1.0 . 3.99 414 395 A 32 CYS HBx A 22 TYR HEx 1.0 . 4.73 415 395 A 32 CYS HBx A 22 TYR HEy 1.0 . 4.73 416 396 A 35 THR HG2% A 7 THR HA 1.0 . 4.91 417 397 A 35 THR HG2% A 8 PRO HDx 1.0 . 4.74 418 398 A 34 LYS HBy A 10 THR HA 1.0 . 4.95 419 399 A 12 ALA HB% A 11 ASN HA 1.0 . 4.82 420 400 A 10 THR HG2% A 11 ASN HA 1.0 . 5.09 421 401 A 15 CYS HBx A 36 CYS HA 1.0 . 4.53 422 402 A 15 CYS HBx A 18 GLY HAx 1.0 . 5.50 423 403 A 15 CYS HBy A 18 GLY HAy 1.0 . 4.48 424 404 A 19 LYS HGx A 37 GLY HAy 1.0 . 5.50 425 405 A 12 ALA HA A 20 CYS HA 1.0 . 4.47 426 406 A 35 THR HG2% A 22 TYR HA 1.0 . 4.45 427 407 A 24 VAL HA A 27 CYS HBx 1.0 . 5.48 428 408 A 24 VAL HA A 27 CYS HBy 1.0 . 5.48 429 409 A 34 LYS HGx A 21 ALA HA 1.0 . 4.92 430 410 A 28 ILE HD1% A 28 ILE HA 1.0 . 4.43 431 411 A 28 ILE HD1% A 26 ASN HA 1.0 . 4.96 432 412 A 34 LYS HBx A 22 TYR HA 1.0 . 4.49 433 413 A 36 CYS HA A 5 LYS HA 1.0 . 4.92 434 414 A 37 GLY HAx A 36 CYS HA 1.0 . 5.39 435 415 A 22 TYR HEx A 34 LYS HEy 1.0 . 5.04 436 415 A 34 LYS HEy A 22 TYR HEy 1.0 . 5.04 437 416 A 22 TYR HEx A 34 LYS HEx 1.0 . 5.04 438 416 A 22 TYR HEy A 34 LYS HEx 1.0 . 5.04 439 417 A 34 LYS HBx A 35 THR HA 1.0 . 4.98 440 418 A 5 LYS HBy A 38 TYR HA 1.0 . 3.98 441 419 A 4 SER HA A 5 LYS HA 1.0 . 4.53 442 420 A 28 ILE HG2% A 29 GLY HAy 1.0 . 4.71 443 421 A 28 ILE HG2% A 29 GLY HAx 1.0 . 4.71 444 422 A 34 LYS HA A 22 TYR HA 1.0 . 3.19 445 423 A 26 ASN HBy A 25 TRP HE3 1.0 . 3.99 446 424 A 26 ASN HBx A 25 TRP HE3 1.0 . 4.83 447 425 A 25 TRP HA A 25 TRP HD1 1.0 . 4.53 448 426 A 25 TRP HBy A 25 TRP HD1 1.0 . 2.73 449 427 A 34 LYS HGy A 22 TYR HEx 1.0 . 3.59 450 428 A 34 LYS HGx A 22 TYR HEx 1.0 . 3.10 451 429 A 26 ASN HBx A 25 TRP HZ3 1.0 . 4.72 452 430 A 34 LYS HGy A 22 TYR HDx 1.0 . 2.98 453 431 A 22 TYR HA A 22 TYR HDx 1.0 . 5.50 454 432 A 34 LYS HGx A 22 TYR HDx 1.0 . 2.89 455 433 A 34 LYS HBy A 22 TYR HDx 1.0 . 4.20 456 434 A 38 TYR HA A 38 TYR HDx 1.0 . 5.50 457 435 A 19 LYS HGx A 38 TYR HDx 1.0 . 3.97 458 436 A 37 GLY HAx A 38 TYR HDx 1.0 . 4.00 459 437 A 37 GLY HAy A 38 TYR HDx 1.0 . 4.14 460 438 A 3 ASN H A 2 CYS HBx 1.0 . 3.67 461 438 A 3 ASN H A 2 CYS HBy 1.0 . 3.67 462 439 A 15 CYS H A 2 CYS HBx 1.0 . 4.67 463 439 A 15 CYS H A 2 CYS HBy 1.0 . 4.67 464 440 A 15 CYS HA A 2 CYS HBx 1.0 . 4.03 465 440 A 15 CYS HA A 2 CYS HBy 1.0 . 4.03 466 441 A 16 CYS H A 2 CYS HBx 1.0 . 3.26 467 441 A 16 CYS H A 2 CYS HBy 1.0 . 3.26 468 442 A 16 CYS HA A 2 CYS HBx 1.0 . 3.15 469 442 A 16 CYS HA A 2 CYS HBy 1.0 . 3.15 470 443 A 5 LYS H A 4 SER HBx 1.0 . 3.20 471 443 A 5 LYS H A 4 SER HBy 1.0 . 3.20 472 444 A 5 LYS HA A 4 SER HBx 1.0 . 4.85 473 444 A 5 LYS HA A 4 SER HBy 1.0 . 4.85 474 445 A 36 CYS HBy A 4 SER HBx 1.0 . 5.34 475 445 A 36 CYS HBy A 4 SER HBy 1.0 . 5.34 476 446 A 5 LYS H A 5 LYS HGx 1.0 . 4.42 477 446 A 5 LYS H A 5 LYS HGy 1.0 . 4.42 478 447 A 5 LYS H A 5 LYS HDx 1.0 . 5.21 479 447 A 5 LYS H A 5 LYS HDy 1.0 . 5.21 480 448 A 5 LYS HA A 5 LYS HGx 1.0 . 3.23 481 448 A 5 LYS HA A 5 LYS HGy 1.0 . 3.23 482 449 A 6 GLY H A 5 LYS HGx 1.0 . 2.88 483 449 A 6 GLY H A 5 LYS HGy 1.0 . 2.88 484 450 A 6 GLY HAy A 5 LYS HGx 1.0 . 4.37 485 450 A 6 GLY HAy A 5 LYS HGy 1.0 . 4.37 486 451 A 6 GLY HAx A 5 LYS HGx 1.0 . 4.42 487 451 A 6 GLY HAx A 5 LYS HGy 1.0 . 4.42 488 452 A 37 GLY HAy A 5 LYS HGx 1.0 . 3.86 489 452 A 37 GLY HAy A 5 LYS HGy 1.0 . 3.86 490 453 A 6 GLY H A 5 LYS HDx 1.0 . 4.38 491 453 A 6 GLY H A 5 LYS HDy 1.0 . 4.38 492 454 A 37 GLY HAy A 5 LYS HDx 1.0 . 4.53 493 454 A 37 GLY HAy A 5 LYS HDy 1.0 . 4.53 494 455 A 7 THR HA A 8 PRO HGy 1.0 . 4.09 495 455 A 7 THR HA A 8 PRO HGx 1.0 . 4.09 496 456 A 7 THR HG2% A 8 PRO HGy 1.0 . 4.01 497 456 A 7 THR HG2% A 8 PRO HGx 1.0 . 4.01 498 457 A 8 PRO HA A 33 SER HBx 1.0 . 4.66 499 457 A 8 PRO HA A 33 SER HBy 1.0 . 4.66 500 458 A 9 CYS H A 8 PRO HBx 1.0 . 3.17 501 458 A 9 CYS H A 8 PRO HBy 1.0 . 3.17 502 459 A 8 PRO HBy A 33 SER HBx 1.0 . 4.32 503 459 A 8 PRO HBx A 33 SER HBx 1.0 . 4.32 504 459 A 33 SER HBy A 8 PRO HBx 1.0 . 4.32 505 459 A 33 SER HBy A 8 PRO HBy 1.0 . 4.32 506 460 A 35 THR HA A 8 PRO HBx 1.0 . 5.16 507 460 A 35 THR HA A 8 PRO HBy 1.0 . 5.16 508 461 A 35 THR HG2% A 8 PRO HBx 1.0 . 4.75 509 461 A 35 THR HG2% A 8 PRO HBy 1.0 . 4.75 510 462 A 35 THR HG2% A 8 PRO HGy 1.0 . 4.90 511 462 A 35 THR HG2% A 8 PRO HGx 1.0 . 4.90 512 463 A 9 CYS H A 34 LYS HDx 1.0 . 5.34 513 463 A 9 CYS H A 34 LYS HDy 1.0 . 5.34 514 464 A 10 THR H A 14 GLU HGx 1.0 . 3.76 515 464 A 10 THR H A 14 GLU HGy 1.0 . 3.76 516 465 A 10 THR HA A 34 LYS HDx 1.0 . 4.02 517 465 A 10 THR HA A 34 LYS HDy 1.0 . 4.02 518 466 A 10 THR HA A 34 LYS HEx 1.0 . 4.60 519 466 A 10 THR HA A 34 LYS HEy 1.0 . 4.60 520 467 A 11 ASN H A 14 GLU HGx 1.0 . 3.29 521 467 A 11 ASN H A 14 GLU HGy 1.0 . 3.29 522 468 A 13 ASP H A 13 ASP HBy 1.0 . 2.48 523 468 A 13 ASP H A 13 ASP HBx 1.0 . 2.48 524 469 A 14 GLU H A 14 GLU HGx 1.0 . 3.25 525 469 A 14 GLU H A 14 GLU HGy 1.0 . 3.25 526 470 A 15 CYS HA A 16 CYS HBx 1.0 . 5.34 527 470 A 15 CYS HA A 16 CYS HBy 1.0 . 5.34 528 471 A 15 CYS HBx A 17 GLY HAy 1.0 . 5.34 529 471 A 15 CYS HBx A 17 GLY HAx 1.0 . 5.34 530 472 A 16 CYS H A 16 CYS HBx 1.0 . 2.95 531 472 A 16 CYS H A 16 CYS HBy 1.0 . 2.95 532 473 A 17 GLY H A 16 CYS HBx 1.0 . 3.57 533 473 A 17 GLY H A 16 CYS HBy 1.0 . 3.57 534 474 A 18 GLY H A 16 CYS HBx 1.0 . 5.34 535 474 A 18 GLY H A 16 CYS HBy 1.0 . 5.34 536 475 A 18 GLY H A 17 GLY HAy 1.0 . 2.99 537 475 A 18 GLY H A 17 GLY HAx 1.0 . 2.99 538 476 A 19 LYS H A 17 GLY HAy 1.0 . 4.45 539 476 A 19 LYS H A 17 GLY HAx 1.0 . 4.45 540 477 A 17 GLY HAy A 38 TYR HBy 1.0 . 4.03 541 477 A 17 GLY HAx A 38 TYR HBy 1.0 . 4.03 542 477 A 38 TYR HBx A 17 GLY HAy 1.0 . 4.03 543 477 A 17 GLY HAx A 38 TYR HBx 1.0 . 4.03 544 478 A 19 LYS H A 19 LYS HDy 1.0 . 5.34 545 478 A 19 LYS H A 19 LYS HDx 1.0 . 5.34 546 479 A 37 GLY H A 19 LYS HBx 1.0 . 2.99 547 479 A 37 GLY H A 19 LYS HBy 1.0 . 2.99 548 480 A 37 GLY HAy A 19 LYS HBx 1.0 . 4.72 549 480 A 37 GLY HAy A 19 LYS HBy 1.0 . 4.72 550 481 A 37 GLY HAx A 19 LYS HBx 1.0 . 3.71 551 481 A 37 GLY HAx A 19 LYS HBy 1.0 . 3.71 552 482 A 38 TYR HA A 19 LYS HBx 1.0 . 5.17 553 482 A 38 TYR HA A 19 LYS HBy 1.0 . 5.17 554 483 A 19 LYS HGx A 38 TYR HBy 1.0 . 3.74 555 483 A 19 LYS HGx A 38 TYR HBx 1.0 . 3.74 556 484 A 38 TYR H A 19 LYS HDy 1.0 . 4.10 557 484 A 38 TYR H A 19 LYS HDx 1.0 . 4.10 558 485 A 38 TYR HA A 19 LYS HDy 1.0 . 5.34 559 485 A 38 TYR HA A 19 LYS HDx 1.0 . 5.34 560 486 A 21 ALA HA A 34 LYS HDx 1.0 . 3.79 561 486 A 21 ALA HA A 34 LYS HDy 1.0 . 3.79 562 487 A 21 ALA HA A 34 LYS HEx 1.0 . 4.21 563 487 A 21 ALA HA A 34 LYS HEy 1.0 . 4.21 564 488 A 22 TYR H A 24 VAL HGx% 1.0 . 5.44 565 488 A 22 TYR H A 24 VAL HGy% 1.0 . 5.44 566 489 A 22 TYR H A 34 LYS HEx 1.0 . 4.46 567 489 A 22 TYR H A 34 LYS HEy 1.0 . 4.46 568 490 A 22 TYR HBy A 24 VAL HGx% 1.0 . 4.45 569 490 A 22 TYR HBy A 24 VAL HGy% 1.0 . 4.45 570 491 A 22 TYR HBx A 24 VAL HGx% 1.0 . 4.52 571 491 A 22 TYR HBx A 24 VAL HGy% 1.0 . 4.52 572 492 A 22 TYR HEx A 34 LYS HDx 1.0 . 5.04 573 492 A 22 TYR HEx A 34 LYS HDy 1.0 . 5.04 574 492 A 34 LYS HDy A 22 TYR HEy 1.0 . 5.04 575 492 A 22 TYR HEy A 34 LYS HDx 1.0 . 5.04 576 493 A 22 TYR HEx A 34 LYS HEx 1.0 . 3.03 577 493 A 22 TYR HEx A 34 LYS HEy 1.0 . 3.03 578 494 A 23 ASN H A 24 VAL HGx% 1.0 . 4.05 579 494 A 23 ASN H A 24 VAL HGy% 1.0 . 4.05 580 495 A 23 ASN HA A 24 VAL HGx% 1.0 . 4.68 581 495 A 23 ASN HA A 24 VAL HGy% 1.0 . 4.68 582 496 A 23 ASN HD2y A 24 VAL HGx% 1.0 . 4.94 583 496 A 23 ASN HD2y A 24 VAL HGy% 1.0 . 4.94 584 497 A 24 VAL H A 24 VAL HGx% 1.0 . 2.84 585 497 A 24 VAL H A 24 VAL HGy% 1.0 . 2.84 586 498 A 24 VAL HA A 24 VAL HGx% 1.0 . 3.04 587 498 A 24 VAL HA A 24 VAL HGy% 1.0 . 3.04 588 499 A 24 VAL HA A 27 CYS HBx 1.0 . 4.78 589 499 A 24 VAL HA A 27 CYS HBy 1.0 . 4.78 590 500 A 24 VAL HB A 27 CYS HBx 1.0 . 3.86 591 500 A 24 VAL HB A 27 CYS HBy 1.0 . 3.86 592 501 A 25 TRP H A 24 VAL HGx% 1.0 . 3.12 593 501 A 25 TRP H A 24 VAL HGy% 1.0 . 3.12 594 502 A 25 TRP HA A 24 VAL HGx% 1.0 . 4.39 595 502 A 25 TRP HA A 24 VAL HGy% 1.0 . 4.39 596 503 A 25 TRP HD1 A 24 VAL HGx% 1.0 . 3.38 597 503 A 25 TRP HD1 A 24 VAL HGy% 1.0 . 3.38 598 504 A 25 TRP HE1 A 24 VAL HGx% 1.0 . 4.37 599 504 A 25 TRP HE1 A 24 VAL HGy% 1.0 . 4.37 600 505 A 26 ASN H A 24 VAL HGx% 1.0 . 3.35 601 505 A 26 ASN H A 24 VAL HGy% 1.0 . 3.35 602 506 A 26 ASN HA A 24 VAL HGx% 1.0 . 5.44 603 506 A 26 ASN HA A 24 VAL HGy% 1.0 . 5.44 604 507 A 27 CYS H A 24 VAL HGx% 1.0 . 3.42 605 507 A 27 CYS H A 24 VAL HGy% 1.0 . 3.42 606 508 A 27 CYS HA A 24 VAL HGx% 1.0 . 4.60 607 508 A 27 CYS HA A 24 VAL HGy% 1.0 . 4.60 608 509 A 24 VAL HGx% A 27 CYS HBx 1.0 . 3.70 609 509 A 24 VAL HGy% A 27 CYS HBx 1.0 . 3.70 610 509 A 27 CYS HBy A 24 VAL HGx% 1.0 . 3.70 611 509 A 24 VAL HGy% A 27 CYS HBy 1.0 . 3.70 612 510 A 26 ASN H A 27 CYS HBx 1.0 . 4.17 613 510 A 26 ASN H A 27 CYS HBy 1.0 . 4.17 614 511 A 27 CYS H A 27 CYS HBx 1.0 . 2.72 615 511 A 27 CYS H A 27 CYS HBy 1.0 . 2.72 616 512 A 27 CYS H A 28 ILE HG1x 1.0 . 4.55 617 512 A 27 CYS H A 28 ILE HG1y 1.0 . 4.55 618 513 A 28 ILE H A 27 CYS HBx 1.0 . 4.45 619 513 A 28 ILE H A 27 CYS HBy 1.0 . 4.45 620 514 A 28 ILE H A 28 ILE HG1x 1.0 . 3.04 621 514 A 28 ILE H A 28 ILE HG1y 1.0 . 3.04 622 515 A 28 ILE HA A 28 ILE HG1x 1.0 . 3.68 623 515 A 28 ILE HA A 28 ILE HG1y 1.0 . 3.68 624 516 A 28 ILE HG2% A 29 GLY HAy 1.0 . 4.11 625 516 A 28 ILE HG2% A 29 GLY HAx 1.0 . 4.11 626 517 A 30 GLY H A 29 GLY HAy 1.0 . 2.80 627 517 A 30 GLY H A 29 GLY HAx 1.0 . 2.80 628 518 A 31 GLY H A 30 GLY HAx 1.0 . 2.93 629 518 A 31 GLY H A 30 GLY HAy 1.0 . 2.93 630 519 A 32 CYS H A 31 GLY HAy 1.0 . 2.93 631 519 A 32 CYS H A 31 GLY HAx 1.0 . 2.93 632 520 A 35 THR HG2% A 33 SER HBx 1.0 . 4.22 633 520 A 35 THR HG2% A 33 SER HBy 1.0 . 4.22 634 521 A 34 LYS H A 34 LYS HDx 1.0 . 4.29 635 521 A 34 LYS H A 34 LYS HDy 1.0 . 4.29 636 522 A 34 LYS H A 34 LYS HEx 1.0 . 5.14 637 522 A 34 LYS H A 34 LYS HEy 1.0 . 5.14 638 523 A 34 LYS HA A 34 LYS HEx 1.0 . 5.34 639 523 A 34 LYS HA A 34 LYS HEy 1.0 . 5.34 640 524 A 34 LYS HBy A 34 LYS HDx 1.0 . 3.33 641 524 A 34 LYS HBy A 34 LYS HDy 1.0 . 3.33 642 525 A 34 LYS HBy A 34 LYS HEx 1.0 . 4.68 643 525 A 34 LYS HBy A 34 LYS HEy 1.0 . 4.68 644 526 A 34 LYS HBx A 34 LYS HDx 1.0 . 3.41 645 526 A 34 LYS HBx A 34 LYS HDy 1.0 . 3.41 646 527 A 37 GLY H A 38 TYR HBy 1.0 . 5.34 647 527 A 37 GLY H A 38 TYR HBx 1.0 . 5.34 648 528 A 38 TYR H A 38 TYR HBy 1.0 . 3.17 649 528 A 38 TYR H A 38 TYR HBx 1.0 . 3.17 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_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 1 SER C A 2 CYS N A 2 CYS CA A 2 CYS C 1.0 -167.0 -55.0 PHI 2 2 A 2 CYS N A 2 CYS CA A 2 CYS C A 3 ASN N 1.0 50.0 194.0 PSI 3 3 A 2 CYS C A 3 ASN N A 3 ASN CA A 3 ASN C 1.0 -141.0 -49.0 PHI 4 4 A 3 ASN N A 3 ASN CA A 3 ASN C A 4 SER N 1.0 77.0 177.0 PSI 5 5 A 3 ASN C A 4 SER N A 4 SER CA A 4 SER C 1.0 -152.0 -40.0 PHI 6 6 A 4 SER N A 4 SER CA A 4 SER C A 5 LYS N 1.0 96.0 180.0 PSI 7 7 A 4 SER C A 5 LYS N A 5 LYS CA A 5 LYS C 1.0 -84.0 -32.0 PHI 8 8 A 5 LYS N A 5 LYS CA A 5 LYS C A 6 GLY N 1.0 116.0 156.0 PSI 9 9 A 5 LYS C A 6 GLY N A 6 GLY CA A 6 GLY C 1.0 64.0 120.0 PHI 10 10 A 6 GLY N A 6 GLY CA A 6 GLY C A 7 THR N 1.0 -35.0 29.0 PSI 11 11 A 6 GLY C A 7 THR N A 7 THR CA A 7 THR C 1.0 -103.0 -55.0 PHI 12 12 A 7 THR N A 7 THR CA A 7 THR C A 8 PRO N 1.0 107.0 159.0 PSI 13 13 A 8 PRO N A 8 PRO CA A 8 PRO C A 9 CYS N 1.0 126.0 170.0 PSI 14 14 A 8 PRO C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -158.0 -82.0 PHI 15 15 A 9 CYS N A 9 CYS CA A 9 CYS C A 10 THR N 1.0 129.0 185.0 PSI 16 16 A 9 CYS C A 10 THR N A 10 THR CA A 10 THR C 1.0 -125.0 -69.0 PHI 17 17 A 10 THR N A 10 THR CA A 10 THR C A 11 ASN N 1.0 -72.0 16.0 PSI 18 18 A 10 THR C A 11 ASN N A 11 ASN CA A 11 ASN C 1.0 -172.0 -44.0 PHI 19 19 A 11 ASN N A 11 ASN CA A 11 ASN C A 12 ALA N 1.0 119.0 191.0 PSI 20 20 A 11 ASN C A 12 ALA N A 12 ALA CA A 12 ALA C 1.0 -67.0 -47.0 PHI 21 21 A 12 ALA N A 12 ALA CA A 12 ALA C A 13 ASP N 1.0 -52.0 -32.0 PSI 22 22 A 12 ALA C A 13 ASP N A 13 ASP CA A 13 ASP C 1.0 -81.0 -57.0 PHI 23 23 A 13 ASP N A 13 ASP CA A 13 ASP C A 14 GLU N 1.0 -50.0 14.0 PSI 24 24 A 13 ASP C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -108.0 -60.0 PHI 25 25 A 14 GLU N A 14 GLU CA A 14 GLU C A 15 CYS N 1.0 -56.0 8.0 PSI 26 26 A 14 GLU C A 15 CYS N A 15 CYS CA A 15 CYS C 1.0 -118.0 -46.0 PHI 27 27 A 15 CYS N A 15 CYS CA A 15 CYS C A 16 CYS N 1.0 46.0 118.0 PSI 28 28 A 15 CYS C A 16 CYS N A 16 CYS CA A 16 CYS C 1.0 -89.0 -53.0 PHI 29 29 A 16 CYS N A 16 CYS CA A 16 CYS C A 17 GLY N 1.0 -46.0 18.0 PSI 30 30 A 16 CYS C A 17 GLY N A 17 GLY CA A 17 GLY C 1.0 -100.0 -72.0 PHI 31 31 A 17 GLY N A 17 GLY CA A 17 GLY C A 18 GLY N 1.0 -25.0 23.0 PSI 32 32 A 17 GLY C A 18 GLY N A 18 GLY CA A 18 GLY C 1.0 44.0 104.0 PHI 33 33 A 18 GLY N A 18 GLY CA A 18 GLY C A 19 LYS N 1.0 -4.0 56.0 PSI 34 34 A 19 LYS C A 20 CYS N A 20 CYS CA A 20 CYS C 1.0 -125.0 -65.0 PHI 35 35 A 20 CYS N A 20 CYS CA A 20 CYS C A 21 ALA N 1.0 85.0 165.0 PSI 36 36 A 20 CYS C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -181.0 -81.0 PHI 37 37 A 21 ALA N A 21 ALA CA A 21 ALA C A 22 TYR N 1.0 121.0 177.0 PSI 38 38 A 21 ALA C A 22 TYR N A 22 TYR CA A 22 TYR C 1.0 -129.0 -49.0 PHI 39 39 A 22 TYR N A 22 TYR CA A 22 TYR C A 23 ASN N 1.0 113.0 157.0 PSI 40 40 A 22 TYR C A 23 ASN N A 23 ASN CA A 23 ASN C 1.0 -149.0 -37.0 PHI 41 41 A 23 ASN N A 23 ASN CA A 23 ASN C A 24 VAL N 1.0 87.0 187.0 PSI 42 42 A 24 VAL C A 25 TRP N A 25 TRP CA A 25 TRP C 1.0 -111.0 -39.0 PHI 43 43 A 25 TRP N A 25 TRP CA A 25 TRP C A 26 ASN N 1.0 -58.0 -2.0 PSI 44 44 A 25 TRP C A 26 ASN N A 26 ASN CA A 26 ASN C 1.0 -129.0 -69.0 PHI 45 45 A 26 ASN N A 26 ASN CA A 26 ASN C A 27 CYS N 1.0 -37.0 39.0 PSI 46 46 A 28 ILE C A 29 GLY N A 29 GLY CA A 29 GLY C 1.0 -142.0 -22.0 PHI 47 47 A 29 GLY N A 29 GLY CA A 29 GLY C A 30 GLY N 1.0 111.0 187.0 PSI 48 48 A 30 GLY C A 31 GLY N A 31 GLY CA A 31 GLY C 1.0 63.0 119.0 PHI 49 49 A 31 GLY N A 31 GLY CA A 31 GLY C A 32 CYS N 1.0 -29.0 35.0 PSI 50 50 A 31 GLY C A 32 CYS N A 32 CYS CA A 32 CYS C 1.0 -125.0 -45.0 PHI 51 51 A 32 CYS N A 32 CYS CA A 32 CYS C A 33 SER N 1.0 63.0 195.0 PSI 52 52 A 32 CYS C A 33 SER N A 33 SER CA A 33 SER C 1.0 -138.0 -46.0 PHI 53 53 A 33 SER N A 33 SER CA A 33 SER C A 34 LYS N 1.0 73.0 165.0 PSI 54 54 A 33 SER C A 34 LYS N A 34 LYS CA A 34 LYS C 1.0 -128.0 -56.0 PHI 55 55 A 34 LYS N A 34 LYS CA A 34 LYS C A 35 THR N 1.0 88.0 188.0 PSI 56 56 A 34 LYS C A 35 THR N A 35 THR CA A 35 THR C 1.0 -172.0 -96.0 PHI 57 57 A 35 THR N A 35 THR CA A 35 THR C A 36 CYS N 1.0 136.0 176.0 PSI 58 58 A 35 THR C A 36 CYS N A 36 CYS CA A 36 CYS C 1.0 -143.0 -51.0 PHI 59 59 A 36 CYS N A 36 CYS CA A 36 CYS C A 37 GLY N 1.0 110.0 158.0 PSI stop_ save_