data_nef_c15863_2k6a save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2FMC stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 10 CYS SG 1 46 CYS SG 1 19 CYS SG 1 40 CYS SG 1 20 CYS SG 1 31 CYS SG 1 47 CYS SG 1 66 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 ALA middle . . 3 A 3 THR middle . . 4 A 4 THR middle . . 5 A 5 ILE middle . . 6 A 6 GLY middle . false 7 A 7 PRO middle . false 8 A 8 ASN middle . . 9 A 9 THR middle . . 10 A 10 CYS middle -HG . 11 A 11 SER middle . . 12 A 12 ILE middle . . 13 A 13 ASP middle . . 14 A 14 ASP middle . . 15 A 15 TYR middle . . 16 A 16 LYS middle . . 17 A 17 PRO middle . false 18 A 18 TYR middle . . 19 A 19 CYS middle -HG . 20 A 20 CYS middle -HG . 21 A 21 GLN middle . . 22 A 22 SER middle . . 23 A 23 MET middle . . 24 A 24 SER middle . . 25 A 25 GLY middle . false 26 A 26 SER middle . . 27 A 27 ALA middle . . 28 A 28 SER middle . . 29 A 29 LEU middle . . 30 A 30 GLY middle . false 31 A 31 CYS middle -HG . 32 A 32 VAL middle . . 33 A 33 VAL middle . . 34 A 34 GLY middle . false 35 A 35 VAL middle . . 36 A 36 ILE middle . . 37 A 37 GLY middle . false 38 A 38 SER middle . . 39 A 39 GLN middle . . 40 A 40 CYS middle -HG . 41 A 41 GLY middle . false 42 A 42 ALA middle . . 43 A 43 SER middle . . 44 A 44 VAL middle . . 45 A 45 LYS middle . . 46 A 46 CYS middle -HG . 47 A 47 CYS middle -HG . 48 A 48 LYS middle . . 49 A 49 ASP middle . . 50 A 50 ASP middle . . 51 A 51 VAL middle . . 52 A 52 THR middle . . 53 A 53 ASN middle . . 54 A 54 THR middle . . 55 A 55 GLY middle . false 56 A 56 ASN middle . . 57 A 57 SER middle . . 58 A 58 PHE middle . . 59 A 59 LEU middle . . 60 A 60 ILE middle . . 61 A 61 ILE middle . . 62 A 62 ASN middle . . 63 A 63 ALA middle . . 64 A 64 ALA middle . . 65 A 65 ASN middle . . 66 A 66 CYS middle -HG . 67 A 67 VAL middle . . 68 A 68 ALA 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 4.166 0.001 A 1 SER HBx H 1 3.974 0.004 A 1 SER HBy H 1 4.026 0.02 A 2 ALA H H 1 8.685 0.002 A 2 ALA HA H 1 4.642 0.001 A 2 ALA HB% H 1 1.300 0.001 A 2 ALA N N 15 124.387 0.046 A 3 THR H H 1 8.211 0.003 A 3 THR HA H 1 4.474 0.001 A 3 THR HB H 1 4.012 0.002 A 3 THR HG2% H 1 1.199 0.001 A 3 THR N N 15 116.892 0.011 A 4 THR H H 1 8.717 0.005 A 4 THR HA H 1 4.696 0.003 A 4 THR HB H 1 3.920 0.002 A 4 THR HG2% H 1 1.023 0.002 A 4 THR N N 15 123.055 0.041 A 5 ILE H H 1 8.686 0.003 A 5 ILE HA H 1 3.898 0.002 A 5 ILE HB H 1 2.018 0.002 A 5 ILE HD1% H 1 0.707 0.003 A 5 ILE HG1x H 1 1.075 0.002 A 5 ILE HG1y H 1 1.449 0.002 A 5 ILE HG2% H 1 0.679 0.004 A 5 ILE N N 15 128.650 0.036 A 6 GLY H H 1 8.874 0.005 A 6 GLY HAx H 1 4.005 0.001 A 6 GLY HAy H 1 4.701 0.002 A 6 GLY N N 15 118.125 0.020 A 7 PRO HA H 1 4.337 0.003 A 7 PRO HBx H 1 2.043 0.002 A 7 PRO HBy H 1 2.354 0.001 A 7 PRO HDx H 1 3.546 0.001 A 7 PRO HDy H 1 3.744 0.001 A 7 PRO HGx H 1 2.041 0.02 A 7 PRO HGy H 1 2.041 0.02 A 8 ASN H H 1 8.612 0.002 A 8 ASN HA H 1 4.899 0.001 A 8 ASN HBx H 1 2.658 0.002 A 8 ASN HBy H 1 2.929 0.001 A 8 ASN HD2y H 1 7.589 0.005 A 8 ASN HD2x H 1 6.916 0.003 A 8 ASN N N 15 114.705 0.085 A 8 ASN ND2 N 15 113.058 0.000 A 9 THR H H 1 7.645 0.002 A 9 THR HA H 1 3.823 0.002 A 9 THR HB H 1 3.981 0.001 A 9 THR HG2% H 1 1.269 0.002 A 9 THR N N 15 118.742 0.023 A 10 CYS H H 1 8.621 0.002 A 10 CYS HA H 1 4.961 0.001 A 10 CYS HBx H 1 2.696 0.002 A 10 CYS HBy H 1 3.070 0.002 A 10 CYS N N 15 118.127 0.018 A 11 SER H H 1 8.584 0.003 A 11 SER HA H 1 4.503 0.001 A 11 SER HBx H 1 3.837 0.02 A 11 SER HBy H 1 3.937 0.001 A 11 SER N N 15 117.522 0.022 A 12 ILE H H 1 7.463 0.003 A 12 ILE HA H 1 4.240 0.001 A 12 ILE HB H 1 1.399 0.002 A 12 ILE HD1% H 1 0.554 0.001 A 12 ILE HG1x H 1 0.951 0.001 A 12 ILE HG1y H 1 1.346 0.002 A 12 ILE HG2% H 1 0.915 0.003 A 12 ILE N N 15 122.322 0.051 A 13 ASP H H 1 8.606 0.008 A 13 ASP HA H 1 4.347 0.002 A 13 ASP HBx H 1 2.663 0.003 A 13 ASP HBy H 1 2.663 0.003 A 13 ASP N N 15 126.630 0.023 A 14 ASP H H 1 8.544 0.012 A 14 ASP HA H 1 4.399 0.001 A 14 ASP HBx H 1 2.773 0.005 A 14 ASP HBy H 1 2.904 0.001 A 14 ASP N N 15 115.668 0.022 A 15 TYR H H 1 8.008 0.002 A 15 TYR HA H 1 4.577 0.001 A 15 TYR HBx H 1 2.460 0.003 A 15 TYR HBy H 1 3.140 0.002 A 15 TYR HDx H 1 6.976 0.002 A 15 TYR HDy H 1 6.976 0.002 A 15 TYR HEx H 1 6.745 0.001 A 15 TYR HEy H 1 6.745 0.001 A 15 TYR N N 15 119.153 0.026 A 16 LYS H H 1 8.694 0.003 A 16 LYS HA H 1 4.841 0.003 A 16 LYS HBx H 1 1.692 0.002 A 16 LYS HBy H 1 1.804 0.001 A 16 LYS HGx H 1 1.428 0.004 A 16 LYS HGy H 1 1.428 0.004 A 16 LYS HZ1 H 1 2.981 0.02 A 16 LYS HZ2 H 1 2.981 0.02 A 16 LYS HZ3 H 1 2.981 0.02 A 16 LYS N N 15 120.582 0.006 A 17 PRO HA H 1 5.261 0.002 A 17 PRO HBx H 1 1.675 0.004 A 17 PRO HBy H 1 1.995 0.002 A 17 PRO HDx H 1 3.617 0.003 A 17 PRO HDy H 1 3.706 0.003 A 17 PRO HGx H 1 2.224 0.002 A 17 PRO HGy H 1 2.224 0.002 A 18 TYR H H 1 9.532 0.002 A 18 TYR HA H 1 4.713 0.002 A 18 TYR HBx H 1 2.624 0.002 A 18 TYR HBy H 1 2.790 0.002 A 18 TYR HDx H 1 6.801 0.002 A 18 TYR HDy H 1 6.801 0.002 A 18 TYR HEx H 1 6.592 0.002 A 18 TYR HEy H 1 6.592 0.002 A 18 TYR N N 15 120.775 0.011 A 19 CYS H H 1 9.130 0.004 A 19 CYS HA H 1 5.441 0.003 A 19 CYS HBx H 1 2.807 0.001 A 19 CYS HBy H 1 3.111 0.002 A 19 CYS N N 15 121.197 0.004 A 20 CYS H H 1 9.907 0.003 A 20 CYS HA H 1 5.721 0.004 A 20 CYS HBx H 1 2.730 0.002 A 20 CYS HBy H 1 2.842 0.008 A 20 CYS N N 15 127.995 0.012 A 21 GLN H H 1 9.102 0.004 A 21 GLN HA H 1 4.806 0.003 A 21 GLN HBx H 1 2.074 0.002 A 21 GLN HBy H 1 2.183 0.002 A 21 GLN HE2y H 1 7.518 0.001 A 21 GLN HE2x H 1 6.871 0.003 A 21 GLN HGx H 1 2.452 0.005 A 21 GLN HGy H 1 2.452 0.005 A 21 GLN N N 15 119.912 0.034 A 21 GLN NE2 N 15 112.061 0.006 A 22 SER H H 1 8.688 0.002 A 22 SER HA H 1 4.485 0.001 A 22 SER HBx H 1 3.885 0.005 A 22 SER HBy H 1 3.885 0.005 A 22 SER N N 15 118.330 0.017 A 23 MET H H 1 8.628 0.004 A 23 MET HA H 1 4.712 0.001 A 23 MET HBx H 1 1.892 0.002 A 23 MET HBy H 1 2.060 0.002 A 23 MET HE% H 1 2.043 0.001 A 23 MET HGx H 1 2.465 0.002 A 23 MET HGy H 1 2.465 0.002 A 23 MET N N 15 123.087 0.034 A 24 SER H H 1 8.588 0.002 A 24 SER HA H 1 4.279 0.002 A 24 SER HBx H 1 3.865 0.001 A 24 SER HBy H 1 3.865 0.001 A 24 SER N N 15 118.330 0.017 A 25 GLY H H 1 8.816 0.003 A 25 GLY HAx H 1 3.831 0.001 A 25 GLY HAy H 1 4.106 0.001 A 25 GLY N N 15 113.222 0.004 A 26 SER H H 1 7.875 0.002 A 26 SER HA H 1 4.678 0.001 A 26 SER HBx H 1 3.724 0.001 A 26 SER HBy H 1 3.905 0.002 A 26 SER N N 15 113.637 0.025 A 27 ALA H H 1 8.564 0.005 A 27 ALA HA H 1 4.564 0.002 A 27 ALA HB% H 1 1.461 0.002 A 27 ALA N N 15 125.607 0.032 A 28 SER H H 1 8.178 0.004 A 28 SER HA H 1 4.739 0.003 A 28 SER HBx H 1 3.619 0.002 A 28 SER HBy H 1 3.708 0.002 A 28 SER N N 15 114.842 0.017 A 29 LEU H H 1 8.956 0.005 A 29 LEU HA H 1 4.733 0.003 A 29 LEU HBx H 1 1.178 0.004 A 29 LEU HBy H 1 1.752 0.004 A 29 LEU HDx% H 1 0.739 0.004 A 29 LEU HDy% H 1 0.772 0.02 A 29 LEU HG H 1 1.543 0.003 A 29 LEU N N 15 123.817 0.031 A 30 GLY H H 1 8.736 0.006 A 30 GLY HAx H 1 3.446 0.002 A 30 GLY HAy H 1 4.610 0.003 A 30 GLY N N 15 110.177 0.019 A 31 CYS H H 1 9.184 0.002 A 31 CYS HA H 1 5.691 0.005 A 31 CYS HBx H 1 2.617 0.004 A 31 CYS HBy H 1 2.884 0.001 A 31 CYS N N 15 124.934 0.024 A 32 VAL H H 1 8.395 0.002 A 32 VAL HA H 1 4.946 0.002 A 32 VAL HB H 1 2.236 0.002 A 32 VAL HGx% H 1 1.004 0.002 A 32 VAL HGy% H 1 1.115 0.002 A 32 VAL N N 15 114.984 0.033 A 33 VAL H H 1 8.731 0.001 A 33 VAL HA H 1 3.467 0.003 A 33 VAL HB H 1 1.913 0.001 A 33 VAL HGx% H 1 0.825 0.002 A 33 VAL HGy% H 1 0.996 0.001 A 33 VAL N N 15 124.803 0.024 A 34 GLY H H 1 8.096 0.003 A 34 GLY HAx H 1 2.819 0.002 A 34 GLY HAy H 1 4.078 0.002 A 34 GLY N N 15 115.889 0.016 A 35 VAL H H 1 7.806 0.002 A 35 VAL HA H 1 3.997 0.001 A 35 VAL HB H 1 1.896 0.002 A 35 VAL HGx% H 1 0.931 0.003 A 35 VAL HGy% H 1 0.931 0.003 A 35 VAL N N 15 125.851 0.023 A 36 ILE H H 1 8.702 0.004 A 36 ILE HA H 1 3.436 0.002 A 36 ILE HB H 1 1.804 0.002 A 36 ILE HD1% H 1 0.809 0.002 A 36 ILE HG1x H 1 1.063 0.001 A 36 ILE HG1y H 1 1.571 0.002 A 36 ILE HG2% H 1 0.867 0.003 A 36 ILE N N 15 129.059 0.037 A 37 GLY H H 1 9.119 0.001 A 37 GLY HAx H 1 3.590 0.003 A 37 GLY HAy H 1 4.408 0.001 A 37 GLY N N 15 116.597 0.019 A 38 SER H H 1 8.234 0.001 A 38 SER HA H 1 4.559 0.002 A 38 SER HBx H 1 3.876 0.003 A 38 SER HBy H 1 4.011 0.02 A 38 SER N N 15 116.891 0.009 A 39 GLN H H 1 8.500 0.001 A 39 GLN HA H 1 4.878 0.001 A 39 GLN HBx H 1 1.783 0.002 A 39 GLN HBy H 1 1.947 0.001 A 39 GLN HE2y H 1 7.401 0.002 A 39 GLN HE2x H 1 6.772 0.004 A 39 GLN HGx H 1 2.225 0.002 A 39 GLN HGy H 1 2.311 0.001 A 39 GLN N N 15 117.921 0.019 A 39 GLN NE2 N 15 112.532 0.006 A 40 CYS H H 1 9.055 0.004 A 40 CYS HA H 1 5.078 0.004 A 40 CYS HBx H 1 2.625 0.003 A 40 CYS HBy H 1 3.006 0.004 A 40 CYS N N 15 121.337 0.036 A 41 GLY H H 1 9.464 0.003 A 41 GLY HAx H 1 3.745 0.004 A 41 GLY HAy H 1 4.424 0.003 A 41 GLY N N 15 119.135 0.008 A 42 ALA H H 1 7.209 0.003 A 42 ALA HA H 1 4.738 0.001 A 42 ALA HB% H 1 1.405 0.002 A 42 ALA N N 15 126.591 0.048 A 43 SER H H 1 8.470 0.005 A 43 SER HA H 1 4.827 0.003 A 43 SER HBx H 1 3.751 0.002 A 43 SER HBy H 1 3.751 0.002 A 43 SER N N 15 118.678 0.050 A 44 VAL H H 1 8.900 0.003 A 44 VAL HA H 1 4.723 0.001 A 44 VAL HB H 1 2.042 0.002 A 44 VAL HGx% H 1 0.828 0.002 A 44 VAL HGy% H 1 0.900 0.002 A 44 VAL N N 15 128.547 0.058 A 45 LYS H H 1 9.122 0.003 A 45 LYS HA H 1 4.906 0.002 A 45 LYS HBx H 1 1.747 0.002 A 45 LYS HBy H 1 1.747 0.002 A 45 LYS HDx H 1 1.595 0.003 A 45 LYS HDy H 1 1.595 0.003 A 45 LYS HEx H 1 2.930 0.001 A 45 LYS HEy H 1 2.930 0.001 A 45 LYS HGx H 1 1.246 0.003 A 45 LYS HGy H 1 1.246 0.003 A 45 LYS N N 15 128.656 0.037 A 46 CYS H H 1 9.090 0.004 A 46 CYS HA H 1 5.565 0.002 A 46 CYS HBx H 1 2.799 0.001 A 46 CYS HBy H 1 2.934 0.001 A 46 CYS N N 15 121.451 0.032 A 47 CYS H H 1 9.615 0.008 A 47 CYS HA H 1 5.752 0.001 A 47 CYS HBx H 1 2.605 0.002 A 47 CYS HBy H 1 3.048 0.004 A 47 CYS N N 15 121.190 0.007 A 48 LYS H H 1 8.344 0.007 A 48 LYS HA H 1 4.169 0.002 A 48 LYS HBx H 1 1.075 0.002 A 48 LYS HBy H 1 1.441 0.002 A 48 LYS HDx H 1 1.436 0.001 A 48 LYS HDy H 1 1.436 0.001 A 48 LYS HEx H 1 2.840 0.02 A 48 LYS HEy H 1 3.274 0.02 A 48 LYS HGx H 1 1.439 0.02 A 48 LYS HGy H 1 1.439 0.02 A 48 LYS N N 15 125.006 0.031 A 49 ASP H H 1 8.427 0.002 A 49 ASP HA H 1 4.567 0.003 A 49 ASP HBx H 1 2.455 0.001 A 49 ASP HBy H 1 2.617 0.001 A 49 ASP N N 15 122.456 0.038 A 50 ASP H H 1 8.330 0.004 A 50 ASP HA H 1 4.697 0.001 A 50 ASP HBx H 1 2.596 0.001 A 50 ASP HBy H 1 2.705 0.001 A 50 ASP N N 15 122.871 0.032 A 51 VAL H H 1 8.124 0.033 A 51 VAL HA H 1 4.193 0.001 A 51 VAL HB H 1 2.185 0.003 A 51 VAL HGx% H 1 0.923 0.003 A 51 VAL HGy% H 1 0.923 0.003 A 51 VAL N N 15 119.630 0.179 A 52 THR H H 1 8.316 0.011 A 52 THR HA H 1 4.307 0.001 A 52 THR HB H 1 4.209 0.004 A 52 THR HG2% H 1 1.207 0.002 A 52 THR N N 15 116.889 0.010 A 53 ASN H H 1 8.332 0.011 A 53 ASN HA H 1 4.843 0.002 A 53 ASN HBx H 1 2.792 0.002 A 53 ASN HBy H 1 2.897 0.002 A 53 ASN HD2y H 1 7.709 0.020 A 53 ASN HD2x H 1 6.921 0.004 A 53 ASN N N 15 121.822 0.006 A 53 ASN ND2 N 15 113.024 0.001 A 54 THR H H 1 8.175 0.006 A 54 THR HA H 1 4.358 0.001 A 54 THR HB H 1 4.323 0.02 A 54 THR HG2% H 1 1.214 0.001 A 54 THR N N 15 114.242 0.007 A 55 GLY H H 1 8.495 0.003 A 55 GLY HAx H 1 3.898 0.005 A 55 GLY HAy H 1 4.087 0.001 A 55 GLY N N 15 111.180 0.013 A 56 ASN H H 1 8.168 0.001 A 56 ASN HA H 1 4.831 0.003 A 56 ASN HBx H 1 2.789 0.02 A 56 ASN HBy H 1 2.885 0.001 A 56 ASN HD2y H 1 7.563 0.001 A 56 ASN HD2x H 1 6.930 0.002 A 56 ASN N N 15 119.347 0.023 A 56 ASN ND2 N 15 112.804 0.000 A 57 SER H H 1 8.373 0.008 A 57 SER HA H 1 4.403 0.001 A 57 SER HBx H 1 3.924 0.001 A 57 SER HBy H 1 3.924 0.001 A 57 SER N N 15 115.888 0.021 A 58 PHE H H 1 7.914 0.003 A 58 PHE HA H 1 4.959 0.004 A 58 PHE HBx H 1 2.975 0.002 A 58 PHE HBy H 1 2.975 0.002 A 58 PHE HDx H 1 7.103 0.003 A 58 PHE HDy H 1 7.103 0.003 A 58 PHE HEx H 1 7.200 0.001 A 58 PHE HEy H 1 7.200 0.001 A 58 PHE N N 15 121.519 0.064 A 59 LEU H H 1 8.949 0.003 A 59 LEU HA H 1 4.481 0.002 A 59 LEU HBx H 1 1.278 0.002 A 59 LEU HBy H 1 1.320 0.001 A 59 LEU HDx% H 1 0.786 0.001 A 59 LEU HDy% H 1 0.831 0.004 A 59 LEU HG H 1 1.540 0.001 A 59 LEU N N 15 127.070 0.079 A 60 ILE H H 1 8.172 0.005 A 60 ILE HA H 1 4.840 0.001 A 60 ILE HB H 1 1.768 0.002 A 60 ILE HD1% H 1 0.839 0.001 A 60 ILE HG1x H 1 1.186 0.004 A 60 ILE HG1y H 1 1.506 0.002 A 60 ILE HG2% H 1 0.769 0.002 A 60 ILE N N 15 122.756 0.036 A 61 ILE H H 1 8.958 0.006 A 61 ILE HA H 1 4.197 0.003 A 61 ILE HB H 1 1.430 0.003 A 61 ILE HD1% H 1 -0.016 0.001 A 61 ILE HG1x H 1 0.600 0.002 A 61 ILE HG1y H 1 0.971 0.004 A 61 ILE HG2% H 1 0.690 0.003 A 61 ILE N N 15 129.615 0.123 A 62 ASN H H 1 8.719 0.007 A 62 ASN HA H 1 4.638 0.002 A 62 ASN HBx H 1 2.729 0.001 A 62 ASN HBy H 1 2.811 0.002 A 62 ASN HD2y H 1 7.650 0.004 A 62 ASN HD2x H 1 6.885 0.001 A 62 ASN N N 15 126.018 0.041 A 62 ASN ND2 N 15 112.767 0.032 A 63 ALA H H 1 8.804 0.003 A 63 ALA HA H 1 3.785 0.001 A 63 ALA HB% H 1 1.389 0.001 A 63 ALA N N 15 129.091 0.084 A 64 ALA H H 1 8.410 0.004 A 64 ALA HA H 1 4.268 0.001 A 64 ALA HB% H 1 1.382 0.002 A 64 ALA N N 15 118.906 0.031 A 65 ASN H H 1 8.254 0.003 A 65 ASN HA H 1 4.922 0.002 A 65 ASN HBx H 1 2.885 0.002 A 65 ASN HBy H 1 3.276 0.002 A 65 ASN HD2y H 1 7.555 0.020 A 65 ASN HD2x H 1 7.043 0.005 A 65 ASN N N 15 115.645 0.037 A 65 ASN ND2 N 15 112.624 0.038 A 66 CYS H H 1 7.711 0.004 A 66 CYS HA H 1 5.676 0.002 A 66 CYS HBx H 1 2.938 0.001 A 66 CYS HBy H 1 3.006 0.002 A 66 CYS N N 15 117.166 0.055 A 67 VAL H H 1 8.543 0.010 A 67 VAL HA H 1 4.110 0.001 A 67 VAL HB H 1 2.030 0.001 A 67 VAL HGx% H 1 0.670 0.001 A 67 VAL HGy% H 1 0.813 0.002 A 67 VAL N N 15 120.088 0.040 A 68 ALA H H 1 8.173 0.008 A 68 ALA HA H 1 4.100 0.001 A 68 ALA HB% H 1 1.346 0.003 A 68 ALA N N 15 132.633 0.166 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 20 CYS HA A 20 CYS H 1.0 1.0 6.0 2 2 A 20 CYS H A 20 CYS HBy 1.0 1.5 6.0 3 3 A 20 CYS H A 20 CYS HBx 1.0 1.3 3.9 4 4 A 20 CYS HA A 20 CYS HBx 1.0 1.4 4.8 5 5 A 20 CYS HA A 20 CYS HBy 1.0 1.3 3.9 6 6 A 47 CYS HBx A 47 CYS H 1.0 1.4 5.0 7 7 A 47 CYS H A 47 CYS HBy 1.0 1.4 5.0 8 8 A 47 CYS H A 47 CYS HA 1.0 1.5 5.1 9 9 A 47 CYS HBx A 47 CYS HBy 1.0 0.9 2.7 10 10 A 47 CYS HBx A 47 CYS HA 1.0 1.3 4.1 11 11 A 47 CYS HBy A 47 CYS HA 1.0 1.3 4.5 12 12 A 18 TYR HA A 18 TYR H 1.0 1.3 4.5 13 13 A 18 TYR H A 18 TYR HBy 1.0 1.5 5.5 14 14 A 18 TYR H A 18 TYR HBx 1.0 1.3 4.1 15 15 A 18 TYR HA A 18 TYR HBx 1.0 1.3 4.1 16 16 A 18 TYR HA A 18 TYR HBy 1.0 1.2 3.8 17 17 A 41 GLY HAy A 41 GLY H 1.0 1.3 4.1 18 18 A 41 GLY H A 41 GLY HAx 1.0 1.3 3.9 19 19 A 41 GLY HAy A 41 GLY HAx 1.0 0.9 2.7 20 20 A 31 CYS HBx A 31 CYS H 1.0 1.3 4.1 21 21 A 31 CYS H A 31 CYS HBy 1.0 1.5 6.0 22 22 A 31 CYS H A 31 CYS HA 1.0 1.3 4.3 23 23 A 31 CYS HBx A 31 CYS HBy 1.0 1.0 6.0 24 24 A 31 CYS HBx A 31 CYS HA 1.0 1.4 5.0 25 25 A 31 CYS HBy A 31 CYS HA 1.0 1.3 3.9 26 26 A 19 CYS HA A 19 CYS H 1.0 1.3 4.1 27 27 A 19 CYS H A 19 CYS HBy 1.0 1.3 4.3 28 28 A 19 CYS H A 19 CYS HBx 1.0 1.3 4.3 29 29 A 19 CYS HBy A 19 CYS HBx 1.0 0.8 2.4 30 30 A 19 CYS HA A 19 CYS HBy 1.0 1.3 4.5 31 31 A 19 CYS HA A 19 CYS HBx 1.0 1.3 3.9 32 32 A 46 CYS HBy A 46 CYS HBx 1.0 1.0 6.0 33 33 A 46 CYS HA A 46 CYS H 1.0 1.4 4.8 34 34 A 46 CYS HBy A 46 CYS H 1.0 1.3 4.3 35 35 A 46 CYS HBx A 46 CYS H 1.0 1.4 5.6 36 36 A 46 CYS HBy A 46 CYS HA 1.0 1.4 4.6 37 37 A 46 CYS HBx A 46 CYS HA 1.0 1.3 4.3 38 38 A 45 LYS HA A 45 LYS H 1.0 1.4 4.8 39 39 A 40 CYS HBx A 40 CYS H 1.0 1.2 4.0 40 40 A 40 CYS H A 40 CYS HBy 1.0 1.4 4.6 41 41 A 40 CYS H A 40 CYS HA 1.0 1.3 4.7 42 42 A 40 CYS HBx A 40 CYS HBy 1.0 0.9 2.7 43 43 A 40 CYS HBy A 40 CYS HA 1.0 1.3 4.1 44 44 A 40 CYS HBx A 40 CYS HA 1.0 1.3 4.3 45 45 A 21 GLN HA A 21 GLN H 1.0 1.5 5.7 46 46 A 21 GLN H A 21 GLN HGy 1.0 1.4 5.0 47 46 A 21 GLN H A 21 GLN HGx 1.0 1.4 5.0 48 47 A 21 GLN H A 21 GLN HBy 1.0 1.5 6.0 49 48 A 21 GLN H A 21 GLN HBx 1.0 1.5 6.0 50 49 A 37 GLY HAy A 37 GLY H 1.0 1.3 4.3 51 50 A 37 GLY H A 37 GLY HAx 1.0 1.2 3.8 52 51 A 37 GLY HAy A 37 GLY HAx 1.0 0.8 2.6 53 52 A 59 LEU HA A 59 LEU H 1.0 1.4 4.6 54 53 A 59 LEU H A 59 LEU HG 1.0 1.5 5.5 55 54 A 59 LEU H A 59 LEU HBy 1.0 1.4 5.8 56 55 A 59 LEU H A 59 LEU HBx 1.0 1.4 5.2 57 56 A 61 ILE HA A 61 ILE H 1.0 1.4 4.4 58 57 A 61 ILE H A 61 ILE HG1x 1.0 1.5 5.9 59 58 A 44 VAL H A 44 VAL HB 1.0 1.2 4.0 60 59 A 25 GLY HAy A 25 GLY H 1.0 1.3 4.5 61 60 A 25 GLY H A 25 GLY HAx 1.0 1.4 4.6 62 61 A 22 SER HA A 22 SER H 1.0 1.0 6.0 63 62 A 33 VAL H A 33 VAL HB 1.0 1.2 3.8 64 63 A 33 VAL H A 33 VAL HA 1.0 1.3 4.3 65 64 A 36 ILE HA A 36 ILE H 1.0 1.0 6.0 66 65 A 12 ILE HA A 12 ILE H 1.0 1.4 4.4 67 66 A 12 ILE H A 12 ILE HB 1.0 1.3 4.1 68 67 A 26 SER HA A 26 SER H 1.0 1.4 4.6 69 68 A 26 SER H A 26 SER HBy 1.0 1.5 6.0 70 69 A 26 SER H A 26 SER HBx 1.0 1.4 4.6 71 70 A 9 THR HA A 9 THR H 1.0 1.4 4.6 72 71 A 9 THR H A 9 THR HB 1.0 1.2 3.6 73 72 A 35 VAL HA A 35 VAL H 1.0 1.2 4.0 74 73 A 35 VAL H A 35 VAL HB 1.0 1.3 3.9 75 74 A 66 CYS HBy A 66 CYS H 1.0 1.4 5.0 76 75 A 66 CYS H A 66 CYS HBx 1.0 1.5 5.7 77 76 A 15 TYR HA A 15 TYR H 1.0 1.3 4.5 78 77 A 51 VAL HA A 51 VAL H 1.0 1.5 5.5 79 78 A 54 THR HA A 54 THR H 1.0 1.4 4.4 80 79 A 3 THR HA A 3 THR H 1.0 1.5 6.0 81 80 A 38 SER HA A 38 SER H 1.0 1.4 5.0 82 81 A 65 ASN HBy A 65 ASN H 1.0 1.4 4.8 83 82 A 65 ASN H A 65 ASN HBx 1.0 1.3 4.1 84 83 A 65 ASN H A 65 ASN HA 1.0 1.4 4.8 85 84 A 32 VAL HB A 32 VAL H 1.0 1.4 5.0 86 85 A 32 VAL H A 32 VAL HA 1.0 1.4 4.4 87 86 A 49 ASP HBx A 49 ASP H 1.0 1.4 4.6 88 87 A 49 ASP H A 49 ASP HBy 1.0 1.5 6.0 89 88 A 49 ASP H A 49 ASP HA 1.0 1.3 3.9 90 89 A 64 ALA HA A 64 ALA H 1.0 1.5 6.0 91 90 A 57 SER HA A 57 SER H 1.0 1.4 4.6 92 91 A 14 ASP HA A 14 ASP H 1.0 1.3 4.3 93 92 A 14 ASP H A 14 ASP HBy 1.0 1.5 5.9 94 93 A 14 ASP H A 14 ASP HBx 1.0 1.5 5.3 95 94 A 67 VAL HA A 67 VAL H 1.0 1.4 4.6 96 95 A 55 GLY HAy A 55 GLY H 1.0 1.0 6.0 97 96 A 55 GLY H A 55 GLY HAx 1.0 1.3 4.1 98 97 A 43 SER HA A 43 SER H 1.0 1.4 5.0 99 98 A 43 SER H A 43 SER HBy 1.0 1.3 3.9 100 98 A 43 SER H A 43 SER HBx 1.0 1.3 3.9 101 99 A 39 GLN HBx A 39 GLN H 1.0 1.4 5.0 102 100 A 39 GLN H A 39 GLN HBy 1.0 1.3 4.1 103 101 A 39 GLN H A 39 GLN HGx 1.0 1.5 6.0 104 102 A 39 GLN H A 39 GLN HGy 1.0 1.5 5.5 105 103 A 39 GLN H A 39 GLN HA 1.0 1.4 5.0 106 104 A 27 ALA HA A 27 ALA H 1.0 1.4 4.8 107 105 A 53 ASN HA A 53 ASN H 1.0 1.4 4.8 108 106 A 53 ASN H A 53 ASN HBy 1.0 1.5 5.9 109 107 A 53 ASN H A 53 ASN HBx 1.0 1.5 5.3 110 108 A 50 ASP HBy A 50 ASP H 1.0 1.5 6.0 111 109 A 50 ASP H A 50 ASP HBx 1.0 1.4 4.6 112 110 A 50 ASP H A 50 ASP HA 1.0 1.3 4.3 113 111 A 28 SER HBy A 28 SER H 1.0 1.4 5.4 114 112 A 28 SER H A 28 SER HBx 1.0 1.4 4.2 115 113 A 52 THR HA A 52 THR H 1.0 1.4 4.6 116 114 A 48 LYS HA A 48 LYS H 1.0 1.5 6.0 117 115 A 48 LYS H A 48 LYS HBy 1.0 1.4 4.4 118 116 A 48 LYS H A 48 LYS HBx 1.0 1.3 4.3 119 117 A 62 ASN HBy A 62 ASN H 1.0 1.4 4.6 120 118 A 62 ASN H A 62 ASN HBx 1.0 1.2 4.0 121 119 A 24 SER HA A 24 SER H 1.0 1.1 3.5 122 120 A 24 SER H A 24 SER HBy 1.0 1.0 6.0 123 120 A 24 SER H A 24 SER HBx 1.0 1.0 6.0 124 121 A 11 SER HA A 11 SER H 1.0 1.0 6.0 125 122 A 11 SER H A 11 SER HBy 1.0 1.5 5.5 126 123 A 11 SER H A 11 SER HBx 1.0 1.0 6.0 127 124 A 57 SER H A 57 SER HBx 1.0 1.0 6.0 128 124 A 57 SER H A 57 SER HBy 1.0 1.0 6.0 129 125 A 23 MET HA A 23 MET H 1.0 1.0 6.0 130 126 A 8 ASN HA A 8 ASN H 1.0 1.4 4.8 131 127 A 16 LYS HA A 16 LYS H 1.0 1.2 3.6 132 128 A 10 CYS HA A 10 CYS H 1.0 1.4 5.6 133 129 A 30 GLY HAy A 30 GLY H 1.0 1.4 4.6 134 130 A 66 CYS H A 66 CYS HA 1.0 1.4 4.6 135 131 A 58 PHE HA A 58 PHE H 1.0 1.3 4.7 136 132 A 58 PHE H A 58 PHE HBx 1.0 1.3 4.1 137 132 A 58 PHE H A 58 PHE HBy 1.0 1.3 4.1 138 133 A 22 SER H A 22 SER HBy 1.0 1.4 5.0 139 133 A 22 SER H A 22 SER HBx 1.0 1.4 5.0 140 134 A 40 CYS H A 39 GLN HBx 1.0 1.5 5.9 141 135 A 40 CYS H A 39 GLN HBy 1.0 1.5 5.9 142 136 A 40 CYS H A 39 GLN HA 1.0 1.2 3.6 143 137 A 40 CYS H A 39 GLN H 1.0 1.5 6.0 144 138 A 41 GLY H A 40 CYS HA 1.0 1.1 3.5 145 139 A 41 GLY H A 40 CYS HBy 1.0 1.5 6.0 146 140 A 41 GLY H A 40 CYS HBx 1.0 1.5 6.0 147 141 A 41 GLY H A 40 CYS H 1.0 1.5 6.0 148 142 A 41 GLY HAy A 42 ALA H 1.0 1.4 5.2 149 143 A 41 GLY HAx A 42 ALA H 1.0 1.4 5.0 150 144 A 41 GLY H A 42 ALA H 1.0 1.3 4.1 151 145 A 42 ALA H A 42 ALA HA 1.0 1.5 5.1 152 146 A 43 SER H A 42 ALA HA 1.0 1.5 6.0 153 147 A 43 SER HA A 43 SER HBy 1.0 1.3 3.9 154 147 A 43 SER HA A 43 SER HBx 1.0 1.3 3.9 155 148 A 44 VAL H A 43 SER HA 1.0 1.1 3.5 156 149 A 44 VAL H A 43 SER HBx 1.0 1.4 4.8 157 149 A 44 VAL H A 43 SER HBy 1.0 1.4 4.8 158 150 A 44 VAL H A 43 SER H 1.0 1.3 6.0 159 151 A 44 VAL HB A 44 VAL HA 1.0 1.0 6.0 160 152 A 44 VAL H A 44 VAL HA 1.0 1.4 5.8 161 153 A 45 LYS H A 44 VAL HA 1.0 1.2 3.8 162 154 A 45 LYS H A 44 VAL HB 1.0 1.4 5.0 163 155 A 45 LYS H A 45 LYS HBx 1.0 1.4 4.6 164 155 A 45 LYS H A 45 LYS HBy 1.0 1.4 4.6 165 156 A 45 LYS H A 45 LYS HGy 1.0 1.5 5.9 166 156 A 45 LYS H A 45 LYS HGx 1.0 1.5 5.9 167 157 A 45 LYS H A 45 LYS HDx 1.0 1.4 6.0 168 157 A 45 LYS H A 45 LYS HDy 1.0 1.4 6.0 169 158 A 45 LYS HBx A 45 LYS HGy 1.0 1.0 3.2 170 158 A 45 LYS HBy A 45 LYS HGx 1.0 1.0 3.2 171 158 A 45 LYS HBx A 45 LYS HGx 1.0 1.0 3.2 172 158 A 45 LYS HBy A 45 LYS HGy 1.0 1.0 3.2 173 159 A 45 LYS HGx A 45 LYS HDy 1.0 1.0 6.0 174 159 A 45 LYS HGy A 45 LYS HDx 1.0 1.0 6.0 175 159 A 45 LYS HGy A 45 LYS HDy 1.0 1.0 6.0 176 159 A 45 LYS HGx A 45 LYS HDx 1.0 1.0 6.0 177 160 A 45 LYS HBy A 45 LYS HDx 1.0 1.0 6.0 178 160 A 45 LYS HBy A 45 LYS HDy 1.0 1.0 6.0 179 160 A 45 LYS HBx A 45 LYS HDx 1.0 1.0 6.0 180 160 A 45 LYS HBx A 45 LYS HDy 1.0 1.0 6.0 181 161 A 45 LYS HGx A 45 LYS HEx 1.0 1.4 5.2 182 161 A 45 LYS HGx A 45 LYS HEy 1.0 1.4 5.2 183 161 A 45 LYS HGy A 45 LYS HEy 1.0 1.4 5.2 184 161 A 45 LYS HGy A 45 LYS HEx 1.0 1.4 5.2 185 162 A 45 LYS HDy A 45 LYS HEx 1.0 1.4 4.8 186 162 A 45 LYS HDx A 45 LYS HEy 1.0 1.4 4.8 187 162 A 45 LYS HDx A 45 LYS HEx 1.0 1.4 4.8 188 162 A 45 LYS HDy A 45 LYS HEy 1.0 1.4 4.8 189 163 A 45 LYS HBy A 45 LYS HEy 1.0 1.4 4.8 190 163 A 45 LYS HBy A 45 LYS HEx 1.0 1.4 4.8 191 163 A 45 LYS HBx A 45 LYS HEx 1.0 1.4 4.8 192 163 A 45 LYS HBx A 45 LYS HEy 1.0 1.4 4.8 193 164 A 46 CYS H A 45 LYS HA 1.0 1.2 3.6 194 165 A 46 CYS H A 45 LYS HBy 1.0 1.5 5.7 195 165 A 46 CYS H A 45 LYS HBx 1.0 1.5 5.7 196 166 A 46 CYS H A 45 LYS HDy 1.0 1.4 6.0 197 166 A 46 CYS H A 45 LYS HDx 1.0 1.4 6.0 198 167 A 46 CYS H A 45 LYS HGy 1.0 1.4 6.0 199 167 A 46 CYS H A 45 LYS HGx 1.0 1.4 6.0 200 168 A 47 CYS H A 46 CYS HA 1.0 1.2 3.4 201 169 A 47 CYS H A 46 CYS HBy 1.0 1.5 6.0 202 170 A 47 CYS H A 46 CYS HBx 1.0 1.5 6.0 203 171 A 47 CYS H A 46 CYS H 1.0 1.5 6.0 204 172 A 47 CYS HBy A 48 LYS H 1.0 1.4 4.8 205 173 A 47 CYS HBx A 48 LYS H 1.0 1.5 5.7 206 174 A 47 CYS HA A 48 LYS H 1.0 1.2 3.8 207 175 A 47 CYS H A 48 LYS H 1.0 1.5 6.0 208 176 A 48 LYS HBy A 48 LYS HBx 1.0 0.6 2.2 209 177 A 48 LYS HEx A 48 LYS HDx 1.0 1.3 4.3 210 177 A 48 LYS HEx A 48 LYS HDy 1.0 1.3 4.3 211 178 A 48 LYS HBx A 48 LYS HEx 1.0 1.4 5.6 212 179 A 49 ASP H A 48 LYS HBx 1.0 1.5 5.9 213 180 A 49 ASP H A 48 LYS HBy 1.0 1.4 5.4 214 181 A 49 ASP H A 48 LYS HA 1.0 1.3 4.3 215 182 A 50 ASP HBy A 50 ASP HBx 1.0 1.0 6.0 216 183 A 50 ASP HBx A 50 ASP HA 1.0 1.3 4.1 217 184 A 50 ASP HBy A 50 ASP HA 1.0 1.3 4.7 218 185 A 51 VAL H A 50 ASP HA 1.0 1.2 3.8 219 186 A 51 VAL H A 50 ASP HBy 1.0 1.0 6.0 220 187 A 51 VAL H A 50 ASP HBx 1.0 1.5 6.0 221 188 A 51 VAL H A 50 ASP H 1.0 1.0 6.0 222 189 A 51 VAL H A 51 VAL HB 1.0 1.5 5.7 223 190 A 51 VAL HA A 51 VAL HB 1.0 1.3 4.1 224 191 A 51 VAL HA A 52 THR H 1.0 1.4 6.0 225 192 A 52 THR H A 51 VAL HB 1.0 1.5 5.3 226 193 A 51 VAL H A 52 THR H 1.0 1.0 6.0 227 194 A 52 THR HA A 52 THR HB 1.0 1.0 6.0 228 195 A 53 ASN H A 52 THR HA 1.0 1.4 4.6 229 196 A 53 ASN H A 52 THR HB 1.0 1.0 6.0 230 197 A 53 ASN HBy A 53 ASN HBx 1.0 1.0 6.0 231 198 A 53 ASN HA A 53 ASN HBx 1.0 1.3 4.1 232 199 A 53 ASN HA A 53 ASN HBy 1.0 1.3 4.1 233 200 A 53 ASN HBy A 53 ASN HD2y 1.0 1.4 5.6 234 201 A 53 ASN HBx A 53 ASN HD2y 1.0 1.4 4.8 235 202 A 53 ASN HA A 53 ASN HD2y 1.0 1.3 6.0 236 203 A 53 ASN HD2y A 53 ASN HD2x 1.0 0.8 2.4 237 204 A 53 ASN HA A 53 ASN HD2x 1.0 0.9 6.0 238 205 A 53 ASN HBy A 53 ASN HD2x 1.0 0.0 6.0 239 206 A 53 ASN HBx A 53 ASN HD2x 1.0 1.3 6.0 240 207 A 54 THR H A 53 ASN HA 1.0 1.3 4.5 241 208 A 54 THR H A 53 ASN HBy 1.0 1.5 5.7 242 209 A 54 THR H A 53 ASN HBx 1.0 1.0 6.0 243 210 A 54 THR H A 53 ASN H 1.0 1.0 6.0 244 211 A 54 THR H A 54 THR HB 1.0 1.0 6.0 245 212 A 54 THR HA A 55 GLY H 1.0 1.4 4.4 246 213 A 55 GLY H A 54 THR HB 1.0 1.0 6.0 247 214 A 54 THR H A 55 GLY H 1.0 1.4 5.2 248 215 A 55 GLY HAy A 55 GLY HAx 1.0 1.0 3.0 249 216 A 39 GLN HGx A 39 GLN HE2y 1.0 1.5 6.0 250 217 A 39 GLN HGy A 39 GLN HE2y 1.0 0.8 6.0 251 218 A 39 GLN HA A 39 GLN HE2y 1.0 1.0 6.0 252 219 A 39 GLN HE2y A 39 GLN HE2x 1.0 0.9 2.5 253 220 A 39 GLN HGx A 39 GLN HE2x 1.0 1.0 6.0 254 221 A 21 GLN HGy A 21 GLN HBx 1.0 1.0 6.0 255 221 A 21 GLN HGx A 21 GLN HBx 1.0 1.0 6.0 256 222 A 21 GLN HGx A 21 GLN HBy 1.0 1.4 4.8 257 222 A 21 GLN HGy A 21 GLN HBy 1.0 1.4 4.8 258 223 A 21 GLN HBy A 21 GLN HBx 1.0 0.9 2.9 259 224 A 21 GLN HA A 21 GLN HGy 1.0 1.5 5.5 260 224 A 21 GLN HA A 21 GLN HGx 1.0 1.5 5.5 261 225 A 21 GLN HA A 21 GLN HBy 1.0 1.4 4.2 262 226 A 21 GLN HA A 21 GLN HBx 1.0 1.4 4.8 263 227 A 21 GLN H A 22 SER H 1.0 1.5 6.0 264 228 A 18 TYR HBy A 18 TYR HBx 1.0 1.0 6.0 265 229 A 18 TYR HBx A 19 CYS H 1.0 1.4 5.2 266 230 A 18 TYR HBy A 19 CYS H 1.0 1.0 6.0 267 231 A 18 TYR HA A 19 CYS H 1.0 1.2 3.8 268 232 A 18 TYR H A 19 CYS H 1.0 1.4 4.6 269 233 A 20 CYS H A 19 CYS HA 1.0 1.1 3.3 270 234 A 20 CYS H A 19 CYS HBy 1.0 1.4 6.0 271 235 A 20 CYS H A 19 CYS HBx 1.0 1.5 6.0 272 236 A 20 CYS H A 19 CYS H 1.0 1.5 5.9 273 237 A 20 CYS HBy A 20 CYS HBx 1.0 1.0 6.0 274 238 A 20 CYS H A 21 GLN H 1.0 1.5 6.0 275 239 A 20 CYS HA A 21 GLN H 1.0 1.1 3.3 276 240 A 20 CYS HBy A 21 GLN H 1.0 1.3 4.1 277 241 A 20 CYS HBx A 21 GLN H 1.0 1.5 6.0 278 242 A 18 TYR H A 17 PRO HGx 1.0 1.0 6.0 279 242 A 18 TYR H A 17 PRO HGy 1.0 1.0 6.0 280 243 A 18 TYR H A 17 PRO HBy 1.0 1.5 6.0 281 244 A 17 PRO HGx A 17 PRO HDx 1.0 1.3 4.1 282 244 A 17 PRO HGy A 17 PRO HDx 1.0 1.3 4.1 283 245 A 17 PRO HGy A 17 PRO HDy 1.0 1.2 3.8 284 245 A 17 PRO HGx A 17 PRO HDy 1.0 1.2 3.8 285 246 A 17 PRO HBy A 17 PRO HDx 1.0 1.0 6.0 286 247 A 17 PRO HBy A 17 PRO HDy 1.0 1.0 6.0 287 248 A 17 PRO HDx A 17 PRO HBx 1.0 1.0 6.0 288 249 A 17 PRO HDy A 17 PRO HBx 1.0 1.0 6.0 289 250 A 17 PRO HBy A 17 PRO HA 1.0 1.4 5.2 290 251 A 17 PRO HBx A 17 PRO HA 1.0 1.4 4.8 291 252 A 17 PRO HDx A 17 PRO HDy 1.0 1.0 6.0 292 253 A 17 PRO HDx A 17 PRO HA 1.0 1.5 6.0 293 254 A 17 PRO HDy A 17 PRO HA 1.0 1.5 6.0 294 255 A 18 TYR H A 17 PRO HA 1.0 1.0 3.2 295 256 A 22 SER HA A 22 SER HBx 1.0 1.3 4.1 296 256 A 22 SER HA A 22 SER HBy 1.0 1.3 4.1 297 257 A 21 GLN HA A 22 SER H 1.0 1.2 3.8 298 258 A 21 GLN HBx A 22 SER H 1.0 1.5 6.0 299 259 A 21 GLN HBy A 22 SER H 1.0 1.4 4.8 300 260 A 21 GLN HGx A 22 SER H 1.0 1.5 5.9 301 260 A 21 GLN HGy A 22 SER H 1.0 1.5 5.9 302 261 A 22 SER HA A 23 MET H 1.0 1.0 6.0 303 262 A 23 MET H A 22 SER HBy 1.0 1.0 6.0 304 262 A 23 MET H A 22 SER HBx 1.0 1.0 6.0 305 263 A 23 MET H A 23 MET HGx 1.0 1.4 5.4 306 263 A 23 MET H A 23 MET HGy 1.0 1.4 5.4 307 264 A 23 MET H A 23 MET HBy 1.0 1.4 6.0 308 265 A 23 MET H A 23 MET HBx 1.0 1.3 3.9 309 266 A 23 MET HBy A 23 MET HBx 1.0 0.8 2.4 310 267 A 23 MET HGy A 23 MET HBx 1.0 1.3 4.1 311 267 A 23 MET HGx A 23 MET HBx 1.0 1.3 4.1 312 268 A 23 MET HGy A 23 MET HBy 1.0 1.0 6.0 313 268 A 23 MET HGx A 23 MET HBy 1.0 1.0 6.0 314 269 A 23 MET HA A 23 MET HGx 1.0 1.3 4.3 315 269 A 23 MET HA A 23 MET HGy 1.0 1.3 4.3 316 270 A 23 MET HA A 23 MET HBy 1.0 1.0 6.0 317 271 A 24 SER H A 23 MET HA 1.0 1.2 4.0 318 272 A 24 SER H A 23 MET HGx 1.0 1.4 6.0 319 272 A 24 SER H A 23 MET HGy 1.0 1.4 6.0 320 273 A 24 SER H A 23 MET HBy 1.0 1.5 6.0 321 274 A 24 SER H A 23 MET HBx 1.0 1.4 6.0 322 275 A 24 SER HA A 24 SER HBx 1.0 1.4 4.4 323 275 A 24 SER HA A 24 SER HBy 1.0 1.4 4.4 324 276 A 25 GLY H A 24 SER H 1.0 1.5 6.0 325 277 A 25 GLY H A 24 SER HA 1.0 1.2 3.6 326 278 A 25 GLY H A 24 SER HBy 1.0 1.5 4.9 327 278 A 25 GLY H A 24 SER HBx 1.0 1.5 4.9 328 279 A 25 GLY HAy A 25 GLY HAx 1.0 1.0 3.0 329 280 A 25 GLY HAx A 26 SER H 1.0 1.4 5.2 330 281 A 25 GLY HAy A 26 SER H 1.0 1.5 4.9 331 282 A 25 GLY H A 26 SER H 1.0 1.4 4.8 332 283 A 26 SER HBy A 26 SER HBx 1.0 1.0 3.0 333 284 A 26 SER HA A 26 SER HBx 1.0 1.5 5.7 334 285 A 26 SER HA A 26 SER HBy 1.0 1.3 4.5 335 286 A 26 SER HA A 27 ALA H 1.0 1.3 4.1 336 287 A 26 SER H A 27 ALA H 1.0 1.5 6.0 337 288 A 26 SER HBy A 27 ALA H 1.0 1.0 6.0 338 289 A 26 SER HBx A 27 ALA H 1.0 1.5 5.9 339 290 A 27 ALA H A 28 SER H 1.0 1.4 5.0 340 291 A 27 ALA HA A 28 SER H 1.0 1.5 5.5 341 292 A 16 LYS HA A 17 PRO HDx 1.0 1.2 3.6 342 293 A 16 LYS HA A 17 PRO HDy 1.0 1.2 3.8 343 294 A 28 SER H A 29 LEU H 1.0 1.4 5.4 344 295 A 61 ILE H A 60 ILE HA 1.0 1.1 3.5 345 296 A 28 SER HBy A 29 LEU H 1.0 1.4 4.8 346 297 A 28 SER HBx A 29 LEU H 1.0 1.4 5.4 347 298 A 61 ILE HA A 61 ILE HG1x 1.0 1.3 4.3 348 299 A 31 CYS H A 30 GLY HAy 1.0 1.3 4.1 349 300 A 31 CYS HA A 32 VAL H 1.0 1.2 3.6 350 301 A 31 CYS HBy A 32 VAL H 1.0 1.4 5.2 351 302 A 31 CYS HBx A 32 VAL H 1.0 1.5 6.0 352 303 A 31 CYS H A 32 VAL H 1.0 1.5 6.0 353 304 A 33 VAL H A 32 VAL HA 1.0 1.1 3.3 354 305 A 33 VAL H A 32 VAL HB 1.0 1.4 4.6 355 306 A 33 VAL HB A 33 VAL HA 1.0 1.3 4.1 356 307 A 34 GLY HAy A 34 GLY H 1.0 1.3 3.9 357 308 A 33 VAL HA A 34 GLY H 1.0 1.1 3.1 358 309 A 33 VAL HB A 34 GLY H 1.0 1.5 6.0 359 310 A 35 VAL H A 34 GLY HAy 1.0 1.2 4.0 360 311 A 35 VAL H A 34 GLY H 1.0 1.4 6.0 361 312 A 35 VAL HA A 35 VAL HB 1.0 1.4 4.6 362 313 A 36 ILE H A 35 VAL HB 1.0 1.2 3.6 363 314 A 36 ILE H A 35 VAL HA 1.0 1.1 3.5 364 315 A 36 ILE H A 36 ILE HB 1.0 1.0 6.0 365 316 A 36 ILE H A 36 ILE HG1y 1.0 1.3 4.1 366 317 A 36 ILE H A 36 ILE HG1x 1.0 1.5 6.0 367 318 A 36 ILE HG1y A 36 ILE HG1x 1.0 0.9 2.7 368 319 A 36 ILE HB A 36 ILE HG1x 1.0 1.5 5.9 369 320 A 36 ILE HB A 36 ILE HG1y 1.0 1.3 4.3 370 321 A 36 ILE HA A 36 ILE HB 1.0 1.4 4.8 371 322 A 36 ILE HA A 36 ILE HG1y 1.0 1.5 5.1 372 323 A 36 ILE HA A 36 ILE HG1x 1.0 1.4 4.8 373 324 A 37 GLY H A 36 ILE H 1.0 1.5 6.0 374 325 A 37 GLY H A 36 ILE HA 1.0 1.1 3.3 375 326 A 37 GLY H A 36 ILE HG1y 1.0 1.4 6.0 376 327 A 37 GLY H A 36 ILE HB 1.0 1.0 6.0 377 328 A 37 GLY H A 36 ILE HG1x 1.0 1.0 6.0 378 329 A 37 GLY HAx A 38 SER H 1.0 1.4 5.0 379 330 A 37 GLY HAy A 38 SER H 1.0 1.4 5.0 380 331 A 38 SER H A 38 SER HBy 1.0 1.0 6.0 381 332 A 38 SER H A 38 SER HBx 1.0 1.3 4.5 382 333 A 38 SER HBy A 38 SER HBx 1.0 1.0 3.2 383 334 A 38 SER HA A 38 SER HBy 1.0 1.4 4.6 384 335 A 38 SER HA A 38 SER HBx 1.0 1.3 4.1 385 336 A 38 SER H A 39 GLN H 1.0 1.2 6.0 386 337 A 38 SER HA A 39 GLN H 1.0 1.2 3.4 387 338 A 39 GLN H A 38 SER HBy 1.0 1.4 4.8 388 339 A 39 GLN H A 38 SER HBx 1.0 1.3 4.5 389 340 A 67 VAL H A 67 VAL HB 1.0 1.4 4.8 390 341 A 67 VAL HA A 67 VAL HB 1.0 1.3 4.1 391 342 A 68 ALA H A 67 VAL HB 1.0 1.5 5.5 392 343 A 68 ALA H A 67 VAL HA 1.0 1.0 6.0 393 344 A 68 ALA H A 67 VAL H 1.0 1.4 4.8 394 345 A 68 ALA H A 68 ALA HA 1.0 1.0 6.0 395 346 A 66 CYS HBy A 66 CYS HBx 1.0 1.0 6.0 396 347 A 66 CYS HBx A 66 CYS HA 1.0 1.4 4.2 397 348 A 66 CYS HBy A 66 CYS HA 1.0 1.3 4.7 398 349 A 67 VAL H A 66 CYS HA 1.0 1.2 3.6 399 350 A 66 CYS H A 67 VAL H 1.0 1.3 6.0 400 351 A 66 CYS HBy A 67 VAL H 1.0 1.4 5.4 401 352 A 66 CYS HBx A 67 VAL H 1.0 1.4 5.6 402 353 A 65 ASN HBy A 65 ASN HBx 1.0 0.9 2.5 403 354 A 65 ASN HBy A 65 ASN HA 1.0 1.2 4.0 404 355 A 65 ASN HBx A 65 ASN HA 1.0 1.4 4.8 405 356 A 66 CYS H A 65 ASN HA 1.0 1.4 5.0 406 357 A 66 CYS H A 65 ASN HBy 1.0 1.4 6.0 407 358 A 66 CYS H A 65 ASN HBx 1.0 1.5 5.3 408 359 A 66 CYS H A 65 ASN H 1.0 1.2 4.0 409 360 A 65 ASN HD2x A 65 ASN HD2y 1.0 0.9 2.5 410 361 A 65 ASN HA A 65 ASN HD2y 1.0 0.9 6.0 411 362 A 65 ASN HA A 65 ASN HD2x 1.0 0.3 6.0 412 363 A 65 ASN HBy A 65 ASN HD2x 1.0 1.4 6.0 413 364 A 65 ASN HBx A 65 ASN HD2x 1.0 1.4 6.0 414 365 A 65 ASN HBy A 65 ASN HD2y 1.0 1.4 5.2 415 366 A 65 ASN HBx A 65 ASN HD2y 1.0 1.5 5.5 416 367 A 65 ASN H A 64 ALA HA 1.0 1.5 5.9 417 368 A 65 ASN H A 64 ALA H 1.0 1.0 6.0 418 369 A 21 GLN HGy A 21 GLN HE2y 1.0 1.4 4.6 419 369 A 21 GLN HGx A 21 GLN HE2y 1.0 1.4 4.6 420 370 A 21 GLN HGy A 21 GLN HE2x 1.0 1.4 6.0 421 370 A 21 GLN HGx A 21 GLN HE2x 1.0 1.4 6.0 422 371 A 21 GLN HBy A 21 GLN HE2y 1.0 1.0 6.0 423 372 A 21 GLN HBx A 21 GLN HE2y 1.0 1.0 6.0 424 373 A 21 GLN HBx A 21 GLN HE2x 1.0 0.0 6.0 425 374 A 21 GLN HBy A 21 GLN HE2x 1.0 1.0 6.0 426 375 A 21 GLN HE2y A 21 GLN HE2x 1.0 1.0 6.0 427 376 A 8 ASN H A 8 ASN HBy 1.0 1.5 5.5 428 377 A 8 ASN H A 8 ASN HBx 1.0 1.0 6.0 429 378 A 8 ASN HBy A 8 ASN HBx 1.0 1.0 6.0 430 379 A 8 ASN HA A 8 ASN HBx 1.0 1.3 4.3 431 380 A 8 ASN HA A 8 ASN HBy 1.0 1.2 4.0 432 381 A 8 ASN HA A 8 ASN HD2y 1.0 1.2 6.0 433 382 A 8 ASN HBx A 8 ASN HD2y 1.0 1.0 6.0 434 383 A 8 ASN HBx A 8 ASN HD2x 1.0 1.0 6.0 435 384 A 8 ASN HBy A 8 ASN HD2x 1.0 1.3 6.0 436 385 A 8 ASN HD2y A 8 ASN HD2x 1.0 0.9 2.7 437 386 A 9 THR H A 8 ASN HA 1.0 1.4 4.6 438 387 A 9 THR H A 8 ASN HBy 1.0 1.5 6.0 439 388 A 9 THR H A 8 ASN HBx 1.0 1.3 6.0 440 389 A 9 THR H A 8 ASN H 1.0 1.3 4.3 441 390 A 9 THR HA A 9 THR HB 1.0 1.1 3.5 442 391 A 9 THR H A 10 CYS H 1.0 1.3 4.3 443 392 A 9 THR HB A 10 CYS H 1.0 1.0 6.0 444 393 A 9 THR HA A 10 CYS H 1.0 1.0 6.0 445 394 A 10 CYS H A 10 CYS HBy 1.0 1.5 5.9 446 395 A 10 CYS H A 10 CYS HBx 1.0 1.5 5.3 447 396 A 10 CYS HBy A 10 CYS HBx 1.0 0.8 2.6 448 397 A 10 CYS HA A 10 CYS HBy 1.0 1.3 3.9 449 398 A 10 CYS HA A 10 CYS HBx 1.0 1.4 4.6 450 399 A 11 SER H A 10 CYS HA 1.0 1.3 3.9 451 400 A 11 SER H A 10 CYS HBy 1.0 1.5 5.7 452 401 A 11 SER H A 10 CYS HBx 1.0 1.0 6.0 453 402 A 11 SER HBy A 11 SER HBx 1.0 1.0 3.0 454 403 A 11 SER HA A 11 SER HBx 1.0 1.3 4.3 455 404 A 11 SER HA A 11 SER HBy 1.0 1.4 4.8 456 405 A 12 ILE H A 11 SER HA 1.0 1.4 4.6 457 406 A 12 ILE H A 11 SER HBy 1.0 1.5 6.0 458 407 A 12 ILE H A 11 SER HBx 1.0 1.4 6.0 459 408 A 12 ILE H A 11 SER H 1.0 1.4 4.8 460 409 A 12 ILE H A 12 ILE HG1y 1.0 1.3 4.5 461 410 A 12 ILE H A 12 ILE HG1x 1.0 1.5 5.7 462 411 A 12 ILE HG1y A 12 ILE HG1x 1.0 1.0 3.0 463 412 A 12 ILE HA A 12 ILE HG1x 1.0 1.0 6.0 464 413 A 12 ILE HA A 12 ILE HG1y 1.0 1.4 5.4 465 414 A 12 ILE HA A 12 ILE HB 1.0 1.1 3.5 466 415 A 13 ASP HA A 13 ASP H 1.0 1.4 5.0 467 416 A 12 ILE HA A 13 ASP H 1.0 1.2 3.6 468 417 A 12 ILE HB A 13 ASP H 1.0 1.5 6.0 469 418 A 12 ILE H A 13 ASP H 1.0 1.4 4.8 470 419 A 13 ASP H A 13 ASP HBy 1.0 1.5 5.5 471 419 A 13 ASP H A 13 ASP HBx 1.0 1.5 5.5 472 420 A 13 ASP HA A 13 ASP HBy 1.0 1.2 3.8 473 420 A 13 ASP HA A 13 ASP HBx 1.0 1.2 3.8 474 421 A 14 ASP H A 13 ASP HA 1.0 1.3 4.1 475 422 A 14 ASP H A 13 ASP HBx 1.0 1.3 4.1 476 422 A 14 ASP H A 13 ASP HBy 1.0 1.3 4.1 477 423 A 14 ASP HA A 14 ASP HBx 1.0 1.3 4.1 478 424 A 14 ASP HA A 14 ASP HBy 1.0 1.2 4.0 479 425 A 15 TYR H A 14 ASP HA 1.0 1.4 4.6 480 426 A 15 TYR H A 14 ASP HBy 1.0 1.5 6.0 481 427 A 15 TYR H A 14 ASP HBx 1.0 1.3 6.0 482 428 A 15 TYR H A 14 ASP H 1.0 1.2 3.8 483 429 A 14 ASP HBy A 14 ASP HBx 1.0 1.0 6.0 484 430 A 15 TYR H A 15 TYR HBy 1.0 1.3 4.7 485 431 A 15 TYR H A 15 TYR HBx 1.0 1.3 4.1 486 432 A 15 TYR HBy A 15 TYR HBx 1.0 0.9 2.5 487 433 A 15 TYR HA A 15 TYR HBx 1.0 1.2 4.0 488 434 A 15 TYR HA A 15 TYR HBy 1.0 1.3 4.3 489 435 A 16 LYS H A 15 TYR HBy 1.0 1.5 5.9 490 436 A 16 LYS H A 15 TYR HBx 1.0 1.5 6.0 491 437 A 15 TYR HA A 16 LYS H 1.0 1.2 3.6 492 438 A 15 TYR H A 16 LYS H 1.0 0.7 6.0 493 439 A 62 ASN H A 62 ASN HA 1.0 1.4 4.6 494 440 A 62 ASN HA A 62 ASN HD2y 1.0 1.5 6.0 495 441 A 62 ASN HA A 62 ASN HD2x 1.0 1.4 6.0 496 442 A 62 ASN HBy A 62 ASN HD2y 1.0 1.5 5.7 497 443 A 62 ASN HBx A 62 ASN HD2y 1.0 1.5 6.0 498 444 A 62 ASN HBx A 62 ASN HD2x 1.0 1.3 6.0 499 445 A 62 ASN HBy A 62 ASN HD2x 1.0 1.3 6.0 500 446 A 62 ASN HD2y A 62 ASN HD2x 1.0 0.8 2.4 501 447 A 62 ASN HA A 63 ALA H 1.0 1.2 3.4 502 448 A 62 ASN HBy A 63 ALA H 1.0 1.5 6.0 503 449 A 62 ASN HBx A 63 ALA H 1.0 1.4 6.0 504 450 A 62 ASN HBy A 62 ASN HBx 1.0 1.0 6.0 505 451 A 62 ASN HBx A 62 ASN HA 1.0 1.4 4.6 506 452 A 62 ASN HBy A 62 ASN HA 1.0 1.4 4.8 507 453 A 63 ALA H A 63 ALA HA 1.0 1.0 6.0 508 454 A 64 ALA H A 63 ALA HA 1.0 1.5 5.9 509 455 A 56 ASN HD2x A 56 ASN HD2y 1.0 0.9 2.7 510 456 A 58 PHE HA A 58 PHE HBy 1.0 1.1 3.5 511 456 A 58 PHE HA A 58 PHE HBx 1.0 1.1 3.5 512 457 A 59 LEU H A 58 PHE HA 1.0 1.2 3.4 513 458 A 59 LEU H A 58 PHE HBy 1.0 1.4 5.2 514 458 A 59 LEU H A 58 PHE HBx 1.0 1.4 5.2 515 459 A 57 SER HA A 58 PHE H 1.0 1.4 4.4 516 460 A 57 SER HBx A 58 PHE H 1.0 1.4 4.8 517 460 A 57 SER HBy A 58 PHE H 1.0 1.4 4.8 518 461 A 57 SER HA A 57 SER HBy 1.0 1.3 4.3 519 461 A 57 SER HA A 57 SER HBx 1.0 1.3 4.3 520 462 A 57 SER H A 58 PHE H 1.0 1.3 4.5 521 463 A 57 SER H A 56 ASN HA 1.0 1.3 4.1 522 464 A 56 ASN HD2y A 56 ASN HA 1.0 1.0 6.0 523 465 A 56 ASN HD2x A 56 ASN HA 1.0 1.0 6.0 524 466 A 56 ASN HD2y A 56 ASN HBx 1.0 1.5 5.5 525 467 A 56 ASN HD2y A 56 ASN HBy 1.0 1.5 6.0 526 468 A 56 ASN HD2x A 56 ASN HBx 1.0 1.3 6.0 527 469 A 59 LEU HA A 59 LEU HBx 1.0 1.4 4.8 528 470 A 59 LEU HA A 59 LEU HBy 1.0 1.4 4.8 529 471 A 59 LEU HA A 59 LEU HG 1.0 1.4 4.4 530 472 A 3 THR H A 3 THR HB 1.0 1.0 6.0 531 473 A 3 THR HA A 3 THR HB 1.0 1.5 6.0 532 474 A 5 ILE HA A 5 ILE H 1.0 1.4 4.6 533 475 A 5 ILE H A 5 ILE HB 1.0 1.3 4.5 534 476 A 2 ALA HA A 2 ALA H 1.0 1.0 6.0 535 477 A 3 THR H A 2 ALA HA 1.0 1.1 3.5 536 478 A 3 THR H A 2 ALA H 1.0 1.5 6.0 537 479 A 3 THR H A 4 THR H 1.0 1.5 6.0 538 480 A 3 THR HA A 4 THR H 1.0 1.1 3.5 539 481 A 3 THR HB A 4 THR H 1.0 1.1 3.5 540 482 A 2 ALA H A 1 SER HA 1.0 1.4 4.8 541 483 A 2 ALA H A 1 SER HBy 1.0 1.2 3.6 542 484 A 2 ALA H A 1 SER HBx 1.0 1.0 6.0 543 485 A 1 SER HA A 1 SER HBx 1.0 1.0 6.0 544 486 A 1 SER HA A 1 SER HBy 1.0 1.0 6.0 545 487 A 6 GLY HAx A 6 GLY H 1.0 1.2 3.8 546 488 A 7 PRO HDy A 7 PRO HDx 1.0 0.9 2.5 547 489 A 7 PRO HDy A 7 PRO HBy 1.0 1.5 6.0 548 490 A 7 PRO HDx A 7 PRO HBy 1.0 1.5 5.9 549 491 A 7 PRO HDy A 7 PRO HBx 1.0 1.4 4.8 550 492 A 7 PRO HDx A 7 PRO HBx 1.0 1.0 6.0 551 493 A 7 PRO HDx A 7 PRO HGx 1.0 1.0 6.0 552 493 A 7 PRO HDx A 7 PRO HGy 1.0 1.0 6.0 553 494 A 7 PRO HDy A 7 PRO HGy 1.0 1.2 3.6 554 494 A 7 PRO HDy A 7 PRO HGx 1.0 1.2 3.6 555 495 A 7 PRO HBy A 7 PRO HBx 1.0 1.0 6.0 556 496 A 8 ASN H A 7 PRO HDy 1.0 1.5 5.7 557 497 A 8 ASN H A 7 PRO HDx 1.0 1.5 6.0 558 498 A 7 PRO HBy A 7 PRO HA 1.0 1.0 3.2 559 499 A 7 PRO HDx A 7 PRO HA 1.0 1.0 6.0 560 500 A 7 PRO HDy A 7 PRO HA 1.0 1.0 6.0 561 501 A 8 ASN H A 7 PRO HA 1.0 1.5 5.1 562 502 A 8 ASN H A 7 PRO HBy 1.0 1.4 6.0 563 503 A 8 ASN H A 7 PRO HBx 1.0 1.5 5.9 564 504 A 6 GLY HAx A 7 PRO HDy 1.0 1.0 6.0 565 505 A 6 GLY HAx A 7 PRO HDx 1.0 1.4 5.0 566 506 A 5 ILE HA A 6 GLY H 1.0 1.1 3.3 567 507 A 5 ILE H A 6 GLY H 1.0 1.2 6.0 568 508 A 5 ILE H A 5 ILE HG1y 1.0 1.3 4.5 569 509 A 5 ILE H A 5 ILE HG1x 1.0 1.5 5.9 570 510 A 6 GLY H A 5 ILE HG1x 1.0 0.9 6.0 571 511 A 6 GLY H A 5 ILE HG1y 1.0 1.2 6.0 572 512 A 5 ILE HB A 6 GLY H 1.0 1.5 6.0 573 513 A 5 ILE H A 4 THR HA 1.0 1.2 3.6 574 514 A 55 GLY HAx A 56 ASN H 1.0 1.3 4.3 575 515 A 55 GLY HAy A 56 ASN H 1.0 1.0 6.0 576 516 A 55 GLY H A 56 ASN H 1.0 1.5 5.3 577 517 A 56 ASN HBy A 56 ASN H 1.0 1.5 6.0 578 518 A 56 ASN HBx A 56 ASN H 1.0 1.0 6.0 579 519 A 57 SER H A 56 ASN HBx 1.0 1.5 6.0 580 520 A 57 SER H A 56 ASN HBy 1.0 1.4 4.8 581 521 A 57 SER H A 56 ASN H 1.0 1.0 6.0 582 522 A 60 ILE H A 60 ILE HB 1.0 1.3 4.1 583 523 A 60 ILE H A 60 ILE HG1y 1.0 1.5 5.3 584 524 A 60 ILE H A 60 ILE HG1x 1.0 1.5 6.0 585 525 A 60 ILE HG1y A 60 ILE HG1x 1.0 0.9 2.7 586 526 A 60 ILE HB A 60 ILE HG1y 1.0 1.2 3.8 587 527 A 59 LEU HA A 60 ILE H 1.0 1.3 4.5 588 528 A 59 LEU HA A 60 ILE HB 1.0 1.5 6.0 589 529 A 4 THR H A 4 THR HB 1.0 1.4 4.8 590 530 A 4 THR H A 4 THR HA 1.0 1.0 6.0 591 531 A 4 THR HA A 4 THR HB 1.0 1.0 6.0 592 532 A 29 LEU H A 29 LEU HBy 1.0 1.5 4.9 593 533 A 29 LEU H A 29 LEU HG 1.0 1.4 5.2 594 534 A 29 LEU H A 29 LEU HA 1.0 1.2 4.0 595 535 A 29 LEU HBy A 29 LEU HA 1.0 1.5 6.0 596 536 A 29 LEU HG A 29 LEU HA 1.0 1.4 6.0 597 537 A 29 LEU HA A 29 LEU HBx 1.0 1.2 4.0 598 538 A 59 LEU H A 60 ILE H 1.0 1.0 6.0 599 539 A 16 LYS HA A 16 LYS HBy 1.0 1.2 3.6 600 540 A 16 LYS HA A 16 LYS HBx 1.0 1.4 4.6 601 541 A 16 LYS HA A 16 LYS HGx 1.0 1.0 6.0 602 541 A 16 LYS HA A 16 LYS HGy 1.0 1.0 6.0 603 542 A 16 LYS HBy A 16 LYS HGy 1.0 1.3 4.1 604 542 A 16 LYS HBy A 16 LYS HGx 1.0 1.3 4.1 605 543 A 16 LYS HBx A 16 LYS HGx 1.0 1.2 3.6 606 543 A 16 LYS HBx A 16 LYS HGy 1.0 1.2 3.6 607 544 A 16 LYS HBy A 16 LYS HBx 1.0 0.8 2.4 608 545 A 17 PRO HDy A 16 LYS HBx 1.0 1.0 6.0 609 546 A 17 PRO HDx A 16 LYS HBx 1.0 1.0 6.0 610 547 A 17 PRO HDy A 16 LYS HBy 1.0 1.3 4.1 611 548 A 17 PRO HDx A 16 LYS HBy 1.0 1.3 4.5 612 549 A 16 LYS H A 16 LYS HBy 1.0 1.0 6.0 613 550 A 16 LYS H A 16 LYS HBx 1.0 1.4 4.4 614 551 A 16 LYS H A 16 LYS HGx 1.0 1.5 5.1 615 551 A 16 LYS H A 16 LYS HGy 1.0 1.5 5.1 616 552 A 59 LEU HG A 59 LEU HBy 1.0 1.0 6.0 617 553 A 59 LEU HG A 59 LEU HBx 1.0 1.0 6.0 618 554 A 49 ASP HBx A 49 ASP HBy 1.0 0.8 2.6 619 555 A 20 CYS H A 45 LYS HGx 1.0 1.5 5.1 620 555 A 20 CYS H A 45 LYS HGy 1.0 1.5 5.1 621 556 A 18 TYR H A 17 PRO HBx 1.0 1.5 5.7 622 557 A 18 TYR H A 45 LYS HBx 1.0 1.5 6.0 623 557 A 18 TYR H A 45 LYS HBy 1.0 1.5 6.0 624 558 A 47 CYS H A 15 TYR HBx 1.0 1.5 6.0 625 559 A 20 CYS H A 43 SER HBx 1.0 1.5 5.5 626 559 A 20 CYS H A 43 SER HBy 1.0 1.5 5.5 627 560 A 47 CYS H A 15 TYR HA 1.0 1.5 6.0 628 561 A 41 GLY H A 2 ALA HA 1.0 1.3 6.0 629 562 A 47 CYS H A 16 LYS HA 1.0 1.5 6.0 630 563 A 47 CYS H A 17 PRO HA 1.0 1.4 5.4 631 564 A 18 TYR H A 46 CYS HA 1.0 1.4 5.2 632 565 A 20 CYS H A 43 SER H 1.0 1.4 4.6 633 566 A 47 CYS H A 16 LYS H 1.0 1.3 4.1 634 567 A 18 TYR H A 34 GLY H 1.0 1.5 6.0 635 568 A 46 CYS H A 67 VAL H 1.0 1.5 6.0 636 569 A 19 CYS H A 32 VAL H 1.0 1.4 4.6 637 570 A 31 CYS H A 58 PHE HBy 1.0 1.4 6.0 638 570 A 31 CYS H A 58 PHE HBx 1.0 1.4 6.0 639 571 A 40 CYS H A 3 THR H 1.0 1.4 5.0 640 572 A 40 CYS H A 4 THR HA 1.0 1.5 4.9 641 573 A 40 CYS H A 3 THR HA 1.0 1.4 6.0 642 574 A 40 CYS H A 3 THR HB 1.0 1.5 6.0 643 575 A 40 CYS H A 39 GLN HGy 1.0 1.3 6.0 644 576 A 40 CYS H A 39 GLN HGx 1.0 1.5 6.0 645 577 A 61 ILE H A 61 ILE HB 1.0 1.3 3.9 646 578 A 31 CYS H A 59 LEU HBy 1.0 1.0 6.0 647 579 A 63 ALA H A 29 LEU HG 1.0 1.5 5.5 648 580 A 61 ILE H A 61 ILE HG1y 1.0 1.4 4.8 649 581 A 61 ILE HG1x A 62 ASN H 1.0 1.4 6.0 650 582 A 12 ILE HB A 15 TYR H 1.0 1.5 6.0 651 583 A 17 PRO HBx A 34 GLY H 1.0 1.5 5.9 652 584 A 35 VAL HB A 38 SER H 1.0 1.5 6.0 653 585 A 38 SER H A 5 ILE HB 1.0 1.5 5.7 654 586 A 26 SER H A 23 MET HBy 1.0 1.2 6.0 655 587 A 49 ASP HBx A 50 ASP H 1.0 1.5 6.0 656 588 A 15 TYR H A 13 ASP HBx 1.0 1.4 6.0 657 588 A 15 TYR H A 13 ASP HBy 1.0 1.4 6.0 658 589 A 58 PHE H A 56 ASN HBx 1.0 1.3 6.0 659 590 A 40 CYS HBx A 3 THR H 1.0 1.5 6.0 660 591 A 65 ASN H A 62 ASN HBx 1.0 1.4 6.0 661 592 A 58 PHE H A 56 ASN HBy 1.0 1.0 6.0 662 593 A 19 CYS HBy A 32 VAL H 1.0 1.5 6.0 663 594 A 65 ASN HBy A 48 LYS H 1.0 1.5 5.3 664 595 A 14 ASP H A 15 TYR HBy 1.0 0.2 6.0 665 596 A 34 GLY H A 34 GLY HAx 1.0 1.2 3.8 666 597 A 36 ILE HA A 38 SER H 1.0 1.5 5.5 667 598 A 65 ASN H A 63 ALA HA 1.0 1.5 6.0 668 599 A 26 SER H A 24 SER HA 1.0 1.5 6.0 669 600 A 61 ILE HA A 62 ASN H 1.0 1.4 4.6 670 601 A 49 ASP HA A 50 ASP H 1.0 1.2 3.6 671 602 A 18 TYR HA A 34 GLY H 1.0 1.2 3.6 672 603 A 19 CYS HA A 43 SER H 1.0 1.5 6.0 673 604 A 46 CYS HA A 16 LYS H 1.0 1.5 6.0 674 605 A 47 CYS HA A 67 VAL H 1.0 1.4 5.6 675 606 A 65 ASN H A 65 ASN HD2y 1.0 1.5 5.9 676 607 A 62 ASN H A 65 ASN HD2y 1.0 1.5 6.0 677 608 A 12 ILE H A 15 TYR H 1.0 1.4 6.0 678 609 A 48 LYS H A 65 ASN HD2y 1.0 1.4 6.0 679 610 A 66 CYS H A 64 ALA H 1.0 1.5 6.0 680 611 A 59 LEU H A 58 PHE H 1.0 1.5 6.0 681 612 A 36 ILE H A 35 VAL H 1.0 1.5 6.0 682 613 A 62 ASN H A 62 ASN HD2y 1.0 0.8 6.0 683 614 A 9 THR H A 6 GLY H 1.0 1.5 5.7 684 615 A 19 CYS H A 34 GLY H 1.0 1.5 6.0 685 616 A 37 GLY H A 38 SER H 1.0 1.3 4.1 686 617 A 38 SER H A 5 ILE H 1.0 1.5 6.0 687 618 A 47 CYS HA A 66 CYS H 1.0 1.4 6.0 688 619 A 12 ILE H A 10 CYS HA 1.0 1.5 6.0 689 620 A 58 PHE H A 56 ASN HA 1.0 1.2 6.0 690 621 A 49 ASP HA A 65 ASN HD2y 1.0 1.4 6.0 691 622 A 9 THR H A 7 PRO HA 1.0 1.4 6.0 692 623 A 66 CYS H A 64 ALA HA 1.0 1.5 6.0 693 624 A 66 CYS H A 63 ALA HA 1.0 1.5 5.7 694 625 A 12 ILE H A 15 TYR HBy 1.0 1.5 6.0 695 626 A 12 ILE H A 10 CYS HBy 1.0 1.5 5.9 696 627 A 35 VAL H A 34 GLY HAx 1.0 1.4 4.4 697 628 A 8 ASN HBy A 8 ASN HD2y 1.0 1.5 6.0 698 629 A 12 ILE H A 15 TYR HBx 1.0 1.4 6.0 699 630 A 49 ASP HBx A 65 ASN HD2y 1.0 1.3 6.0 700 631 A 26 SER H A 23 MET HBx 1.0 1.4 6.0 701 632 A 48 LYS HBx A 65 ASN HD2y 1.0 0.0 6.0 702 633 A 40 CYS HBx A 42 ALA H 1.0 1.5 6.0 703 634 A 49 ASP HBx A 65 ASN HD2x 1.0 1.1 6.0 704 635 A 62 ASN HBx A 65 ASN HD2x 1.0 1.5 6.0 705 636 A 62 ASN HBy A 65 ASN HD2x 1.0 1.5 6.0 706 637 A 49 ASP HA A 65 ASN HD2x 1.0 1.4 6.0 707 638 A 40 CYS HA A 42 ALA H 1.0 1.5 6.0 708 639 A 43 SER H A 42 ALA H 1.0 1.5 5.7 709 640 A 62 ASN H A 65 ASN HD2x 1.0 1.5 6.0 710 641 A 65 ASN H A 65 ASN HD2x 1.0 1.2 6.0 711 642 A 48 LYS H A 65 ASN HD2x 1.0 1.2 6.0 712 643 A 53 ASN H A 53 ASN HD2x 1.0 0.7 6.0 713 644 A 56 ASN HD2x A 56 ASN H 1.0 1.5 6.0 714 645 A 47 CYS H A 66 CYS HA 1.0 1.5 6.0 715 646 A 39 GLN H A 4 THR HA 1.0 1.4 6.0 716 647 A 6 GLY H A 7 PRO HDx 1.0 1.4 6.0 717 648 A 31 CYS H A 30 GLY HAx 1.0 1.2 4.0 718 649 A 40 CYS H A 5 ILE HG1y 1.0 1.3 6.0 719 650 A 65 ASN HA A 48 LYS H 1.0 1.1 6.0 720 651 A 48 LYS H A 66 CYS HA 1.0 1.5 5.5 721 652 A 64 ALA H A 62 ASN HD2x 1.0 1.2 6.0 722 653 A 64 ALA H A 63 ALA H 1.0 1.4 4.6 723 654 A 34 GLY HAy A 34 GLY HAx 1.0 0.8 2.4 724 655 A 17 PRO HGy A 17 PRO HBx 1.0 1.2 3.8 725 655 A 17 PRO HGx A 17 PRO HBx 1.0 1.2 3.8 726 656 A 17 PRO HBy A 17 PRO HBx 1.0 0.8 2.6 727 657 A 17 PRO HGy A 17 PRO HA 1.0 1.0 6.0 728 657 A 17 PRO HGx A 17 PRO HA 1.0 1.0 6.0 729 658 A 17 PRO HGx A 17 PRO HBy 1.0 1.1 3.5 730 658 A 17 PRO HGy A 17 PRO HBy 1.0 1.1 3.5 731 659 A 16 LYS H A 17 PRO HA 1.0 1.4 6.0 732 660 A 19 CYS HA A 32 VAL H 1.0 1.3 6.0 733 661 A 19 CYS HA A 44 VAL H 1.0 1.3 6.0 734 662 A 29 LEU H A 29 LEU HBx 1.0 1.4 5.0 735 663 A 61 ILE HA A 61 ILE HB 1.0 1.0 6.0 736 664 A 61 ILE HA A 61 ILE HG1y 1.0 1.0 6.0 737 665 A 61 ILE HB A 61 ILE HG1y 1.0 1.4 4.4 738 666 A 61 ILE HG1x A 61 ILE HB 1.0 1.0 6.0 739 667 A 61 ILE HG1x A 61 ILE HG1y 1.0 0.9 2.7 740 668 A 17 PRO HA A 34 GLY H 1.0 1.3 6.0 741 669 A 10 CYS H A 17 PRO HA 1.0 1.0 6.0 742 670 A 30 GLY H A 30 GLY HAx 1.0 1.0 6.0 743 671 A 30 GLY HAy A 30 GLY HAx 1.0 0.9 2.7 744 672 A 35 VAL H A 5 ILE HG1y 1.0 1.3 6.0 745 673 A 9 THR H A 5 ILE HG1y 1.0 1.1 6.0 746 674 A 31 CYS H A 59 LEU HA 1.0 1.3 6.0 747 675 A 64 ALA H A 62 ASN HA 1.0 1.0 6.0 748 676 A 6 GLY H A 6 GLY HAy 1.0 1.5 5.7 749 677 A 47 CYS H A 15 TYR HBy 1.0 1.4 6.0 750 678 A 20 CYS H A 45 LYS HBx 1.0 1.3 6.0 751 678 A 20 CYS H A 45 LYS HBy 1.0 1.3 6.0 752 679 A 18 TYR H A 33 VAL HA 1.0 1.3 6.0 753 680 A 18 TYR H A 45 LYS HA 1.0 1.2 6.0 754 681 A 67 VAL H A 45 LYS HBy 1.0 1.3 6.0 755 681 A 67 VAL H A 45 LYS HBx 1.0 1.3 6.0 756 682 A 49 ASP HBy A 49 ASP HA 1.0 1.3 4.3 757 683 A 49 ASP HBx A 49 ASP HA 1.0 1.2 3.6 758 684 A 40 CYS HBx A 3 THR HB 1.0 1.4 5.2 759 685 A 49 ASP HBx A 48 LYS HA 1.0 1.5 6.0 760 686 A 33 VAL HA A 34 GLY HAy 1.0 1.4 6.0 761 687 A 6 GLY HAx A 6 GLY HAy 1.0 0.9 2.9 762 688 A 7 PRO HDx A 6 GLY HAy 1.0 1.2 3.8 763 689 A 33 VAL HA A 32 VAL HA 1.0 1.4 6.0 764 690 A 60 ILE HA A 30 GLY HAx 1.0 1.5 6.0 765 691 A 7 PRO HDy A 6 GLY HAy 1.0 1.4 5.2 766 692 A 18 TYR HA A 33 VAL HA 1.0 1.4 4.6 767 693 A 19 CYS HA A 40 CYS HBy 1.0 1.5 6.0 768 694 A 46 CYS HA A 15 TYR HBx 1.0 1.4 6.0 769 695 A 18 TYR HBx A 17 PRO HA 1.0 1.5 6.0 770 696 A 20 CYS HBx A 19 CYS HA 1.0 1.5 6.0 771 697 A 19 CYS HBx A 40 CYS HA 1.0 1.5 6.0 772 698 A 16 LYS HA A 10 CYS HBy 1.0 1.4 6.0 773 699 A 59 LEU HA A 58 PHE HBy 1.0 1.5 6.0 774 699 A 59 LEU HA A 58 PHE HBx 1.0 1.5 6.0 775 700 A 57 SER HA A 58 PHE HBx 1.0 1.5 6.0 776 700 A 57 SER HA A 58 PHE HBy 1.0 1.5 6.0 777 701 A 12 ILE HA A 13 ASP HBy 1.0 1.4 6.0 778 701 A 12 ILE HA A 13 ASP HBx 1.0 1.4 6.0 779 702 A 40 CYS HBy A 3 THR HB 1.0 1.4 6.0 780 703 A 17 PRO HDx A 10 CYS HBy 1.0 1.5 6.0 781 704 A 17 PRO HDx A 10 CYS HBx 1.0 1.5 5.7 782 705 A 66 CYS HBy A 63 ALA HA 1.0 1.5 5.9 783 706 A 46 CYS HBx A 15 TYR HBx 1.0 1.4 5.2 784 707 A 46 CYS HBy A 15 TYR HBx 1.0 1.5 6.0 785 708 A 19 CYS HBy A 32 VAL HB 1.0 1.5 6.0 786 709 A 32 VAL HB A 32 VAL HA 1.0 1.2 3.8 787 710 A 45 LYS HA A 45 LYS HDy 1.0 1.5 5.5 788 710 A 45 LYS HA A 45 LYS HDx 1.0 1.5 5.5 789 711 A 59 LEU HG A 58 PHE HA 1.0 1.5 6.0 790 712 A 48 LYS HA A 48 LYS HBx 1.0 1.2 3.6 791 713 A 35 VAL HA A 36 ILE HG1y 1.0 1.4 6.0 792 714 A 12 ILE HB A 15 TYR HA 1.0 1.5 5.9 793 715 A 29 LEU HBy A 29 LEU HBx 1.0 0.8 2.4 794 716 A 20 CYS HBy A 45 LYS HGx 1.0 1.4 5.6 795 716 A 20 CYS HBy A 45 LYS HGy 1.0 1.4 5.6 796 717 A 52 THR H A 52 THR HB 1.0 1.0 6.0 797 718 A 48 LYS HBx A 48 LYS HEy 1.0 1.5 6.0 798 719 A 20 CYS HBx A 29 LEU HBx 1.0 1.5 5.7 799 720 A 46 CYS HA A 17 PRO HA 1.0 1.4 5.2 800 721 A 47 CYS HA A 48 LYS HA 1.0 1.2 6.0 801 722 A 47 CYS HA A 48 LYS HGy 1.0 1.4 6.0 802 722 A 47 CYS HA A 48 LYS HGx 1.0 1.4 6.0 803 722 A 47 CYS HA A 48 LYS HBy 1.0 1.4 6.0 804 723 A 47 CYS HA A 48 LYS HBx 1.0 1.5 6.0 805 724 A 67 VAL HA A 66 CYS HA 1.0 1.2 6.0 806 725 A 47 CYS HA A 66 CYS HA 1.0 1.3 4.5 807 726 A 20 CYS HA A 19 CYS HA 1.0 1.1 6.0 808 727 A 39 GLN HGy A 39 GLN HA 1.0 1.5 6.0 809 728 A 15 TYR HA A 16 LYS HBx 1.0 1.4 6.0 810 729 A 17 PRO HBx A 34 GLY HAy 1.0 1.4 5.2 811 730 A 35 VAL HB A 34 GLY HAy 1.0 1.4 6.0 812 731 A 60 ILE HA A 60 ILE HG1y 1.0 1.5 5.3 813 732 A 9 THR HB A 17 PRO HBx 1.0 1.3 6.0 814 733 A 17 PRO HDy A 16 LYS HGy 1.0 1.0 6.0 815 733 A 17 PRO HDy A 16 LYS HGx 1.0 1.0 6.0 816 734 A 48 LYS HGy A 48 LYS HEy 1.0 1.0 6.0 817 734 A 48 LYS HGx A 48 LYS HEy 1.0 1.0 6.0 818 734 A 48 LYS HDy A 48 LYS HEy 1.0 1.0 6.0 819 734 A 48 LYS HDx A 48 LYS HEy 1.0 1.0 6.0 820 735 A 65 ASN HA A 48 LYS HBx 1.0 1.4 6.0 821 736 A 39 GLN HGx A 39 GLN HGy 1.0 1.2 3.4 822 737 A 39 GLN HE2y A 4 THR HA 1.0 1.0 6.0 823 738 A 5 ILE H A 4 THR HB 1.0 1.0 6.0 824 739 A 9 THR H A 5 ILE HB 1.0 1.2 6.0 825 740 A 5 ILE HA A 5 ILE HG1x 1.0 1.0 6.0 826 741 A 31 CYS H A 59 LEU HBx 1.0 1.0 6.0 827 742 A 47 CYS HBx A 66 CYS H 1.0 1.2 6.0 828 743 A 47 CYS H A 16 LYS HBy 1.0 1.2 6.0 829 744 A 33 VAL HA A 32 VAL H 1.0 1.4 6.0 830 745 A 39 GLN HBx A 39 GLN HGy 1.0 1.0 6.0 831 746 A 39 GLN HBx A 39 GLN HGx 1.0 1.0 6.0 832 747 A 66 CYS HBx A 63 ALA HA 1.0 1.4 5.4 833 748 A 41 GLY HAx A 2 ALA HA 1.0 1.0 6.0 834 749 A 40 CYS HBy A 3 THR H 1.0 1.2 6.0 835 750 A 40 CYS HA A 3 THR H 1.0 1.0 6.0 836 751 A 39 GLN HA A 4 THR HA 1.0 1.4 4.8 837 752 A 39 GLN HA A 5 ILE H 1.0 1.5 5.7 838 753 A 45 LYS HA A 45 LYS HGy 1.0 1.4 4.8 839 753 A 45 LYS HA A 45 LYS HGx 1.0 1.4 4.8 840 754 A 18 TYR HBx A 33 VAL HA 1.0 1.3 6.0 841 755 A 18 TYR HBy A 33 VAL HA 1.0 1.0 6.0 842 756 A 41 GLY HAx A 40 CYS HA 1.0 1.0 6.0 843 757 A 17 PRO HA A 10 CYS HBy 1.0 1.0 6.0 844 758 A 39 GLN HGy A 4 THR HA 1.0 1.4 6.0 845 759 A 39 GLN HGx A 4 THR HA 1.0 1.5 5.9 846 760 A 16 LYS HA A 10 CYS HBx 1.0 1.5 6.0 847 761 A 20 CYS HA A 21 GLN HGy 1.0 1.4 6.0 848 761 A 20 CYS HA A 21 GLN HGx 1.0 1.4 6.0 849 762 A 45 LYS HA A 45 LYS HBy 1.0 1.2 3.4 850 762 A 45 LYS HA A 45 LYS HBx 1.0 1.2 3.4 851 763 A 51 VAL H A 49 ASP HA 1.0 0.8 6.0 852 764 A 66 CYS H A 49 ASP HA 1.0 1.0 6.0 853 765 A 48 LYS HBx A 65 ASN HD2x 1.0 0.3 6.0 854 766 A 56 ASN HA A 56 ASN H 1.0 1.0 6.0 855 767 A 48 LYS HA A 48 LYS HBy 1.0 1.0 6.0 856 768 A 48 LYS HA A 48 LYS HGx 1.0 1.0 6.0 857 768 A 48 LYS HA A 48 LYS HGy 1.0 1.0 6.0 858 769 A 62 ASN H A 61 ILE HB 1.0 1.0 6.0 859 770 A 30 GLY H A 29 LEU HA 1.0 1.4 4.8 860 771 A 21 GLN HGy A 30 GLY H 1.0 1.5 5.1 861 771 A 21 GLN HGx A 30 GLY H 1.0 1.5 5.1 862 772 A 21 GLN H A 30 GLY H 1.0 1.5 6.0 863 773 A 30 GLY H A 29 LEU HBy 1.0 1.4 6.0 864 774 A 30 GLY H A 29 LEU HG 1.0 1.4 6.0 865 775 A 30 GLY H A 29 LEU HBx 1.0 1.5 5.3 866 776 A 65 ASN HBy A 62 ASN H 1.0 1.0 6.0 867 777 A 31 CYS H A 30 GLY H 1.0 1.5 6.0 868 778 A 20 CYS HBx A 45 LYS HGx 1.0 1.4 4.8 869 778 A 20 CYS HBx A 45 LYS HGy 1.0 1.4 4.8 870 779 A 37 GLY H A 5 ILE HB 1.0 1.0 6.0 871 780 A 33 VAL HA A 35 VAL H 1.0 1.0 6.0 872 781 A 60 ILE H A 60 ILE HA 1.0 1.0 6.0 873 782 A 60 ILE HA A 60 ILE HG1x 1.0 1.4 5.4 874 783 A 31 CYS H A 60 ILE HA 1.0 1.5 5.9 875 784 A 60 ILE HA A 60 ILE HB 1.0 1.0 6.0 876 785 A 17 PRO HDx A 16 LYS HGy 1.0 1.0 6.0 877 785 A 17 PRO HDx A 16 LYS HGx 1.0 1.0 6.0 878 786 A 28 SER H A 23 MET HBx 1.0 1.0 6.0 879 787 A 20 CYS H A 44 VAL H 1.0 1.0 6.0 880 788 A 19 CYS HA A 44 VAL HA 1.0 1.4 4.8 881 789 A 47 CYS HBy A 46 CYS HA 1.0 1.0 6.0 882 790 A 65 ASN HBx A 66 CYS HA 1.0 1.0 6.0 883 791 A 20 CYS HBy A 29 LEU HBx 1.0 1.4 4.4 884 792 A 43 SER HBx A 45 LYS HGy 1.0 1.0 6.0 885 792 A 43 SER HBy A 45 LYS HGx 1.0 1.0 6.0 886 792 A 43 SER HBy A 45 LYS HGy 1.0 1.0 6.0 887 792 A 43 SER HBx A 45 LYS HGx 1.0 1.0 6.0 888 793 A 62 ASN H A 61 ILE HG1y 1.0 1.0 6.0 889 794 A 28 SER HBy A 28 SER HBx 1.0 1.0 6.0 890 795 A 28 SER HBy A 28 SER HA 1.0 1.0 6.0 891 796 A 28 SER HBx A 28 SER HA 1.0 1.0 6.0 892 797 A 28 SER H A 28 SER HA 1.0 1.4 5.0 893 798 A 7 PRO HBx A 7 PRO HA 1.0 1.0 6.0 894 799 A 47 CYS HA A 16 LYS H 1.0 1.5 6.0 895 800 A 31 CYS H A 32 VAL HA 1.0 1.5 5.9 896 801 A 49 ASP HBy A 61 ILE HG1y 1.0 1.4 6.0 897 802 A 20 CYS HBy A 45 LYS HBx 1.0 1.5 6.0 898 802 A 20 CYS HBy A 45 LYS HBy 1.0 1.5 6.0 899 803 A 39 GLN HGx A 39 GLN HA 1.0 1.5 6.0 900 804 A 17 PRO HGx A 34 GLY HAy 1.0 1.0 6.0 901 804 A 17 PRO HGy A 34 GLY HAy 1.0 1.0 6.0 902 805 A 20 CYS HBx A 43 SER HBx 1.0 1.5 5.3 903 805 A 20 CYS HBx A 43 SER HBy 1.0 1.5 5.3 904 806 A 37 GLY HAx A 36 ILE HA 1.0 1.5 6.0 905 807 A 21 GLN HA A 22 SER HBx 1.0 1.0 6.0 906 807 A 21 GLN HA A 22 SER HBy 1.0 1.0 6.0 907 808 A 61 ILE H A 60 ILE HB 1.0 1.0 6.0 908 809 A 18 TYR H A 45 LYS H 1.0 1.0 6.0 909 810 A 31 CYS H A 59 LEU H 1.0 1.0 6.0 910 811 A 48 LYS H A 48 LYS HGx 1.0 1.0 6.0 911 811 A 48 LYS H A 48 LYS HGy 1.0 1.0 6.0 912 812 A 17 PRO HGx A 34 GLY H 1.0 1.0 6.0 913 812 A 17 PRO HGy A 34 GLY H 1.0 1.0 6.0 914 813 A 8 ASN H A 7 PRO HGx 1.0 1.0 6.0 915 813 A 8 ASN H A 7 PRO HGy 1.0 1.0 6.0 916 814 A 20 CYS H A 44 VAL HA 1.0 1.0 6.0 917 815 A 37 GLY H A 6 GLY HAy 1.0 1.0 6.0 918 816 A 64 ALA H A 62 ASN HBy 1.0 1.0 6.0 919 817 A 19 CYS HA A 45 LYS H 1.0 1.0 6.0 920 818 A 20 CYS H A 45 LYS H 1.0 1.0 6.0 921 819 A 49 ASP H A 48 LYS HDy 1.0 1.0 6.0 922 819 A 49 ASP H A 48 LYS HDx 1.0 1.0 6.0 923 820 A 21 GLN H A 29 LEU HBx 1.0 1.0 6.0 924 821 A 21 GLN H A 30 GLY HAx 1.0 1.0 6.0 925 822 A 21 GLN H A 22 SER HA 1.0 1.0 6.0 926 823 A 33 VAL H A 34 GLY H 1.0 1.0 6.0 927 824 A 44 VAL H A 45 LYS HGy 1.0 1.0 6.0 928 824 A 44 VAL H A 45 LYS HGx 1.0 1.0 6.0 929 825 A 59 LEU HBx A 60 ILE H 1.0 1.0 6.0 930 826 A 9 THR HB A 8 ASN H 1.0 1.0 6.0 931 827 A 16 LYS H A 17 PRO HDx 1.0 1.0 6.0 932 828 A 62 ASN HBy A 65 ASN HD2y 1.0 1.0 6.0 933 829 A 62 ASN HBx A 65 ASN HD2y 1.0 1.0 6.0 934 830 A 61 ILE H A 60 ILE HG1x 1.0 1.0 6.0 935 831 A 29 LEU H A 28 SER HA 1.0 1.0 6.0 936 832 A 47 CYS H A 17 PRO HBx 1.0 1.5 6.0 937 832 A 47 CYS H A 16 LYS HBx 1.0 1.5 6.0 938 833 A 20 CYS H A 18 TYR HA 1.0 1.5 5.7 939 833 A 20 CYS H A 44 VAL HA 1.0 1.5 5.7 940 834 A 20 CYS H A 43 SER HA 1.0 1.3 6.0 941 834 A 20 CYS H A 21 GLN HA 1.0 1.3 6.0 942 835 A 20 CYS H A 21 GLN H 1.0 1.5 5.5 943 835 A 20 CYS H A 19 CYS H 1.0 1.5 5.5 944 836 A 18 TYR H A 19 CYS H 1.0 1.3 4.5 945 836 A 18 TYR H A 45 LYS H 1.0 1.3 4.5 946 837 A 31 CYS H A 59 LEU H 1.0 1.5 5.5 947 837 A 31 CYS H A 61 ILE H 1.0 1.5 5.5 948 838 A 59 LEU H A 30 GLY HAy 1.0 1.4 5.0 949 838 A 30 GLY HAy A 29 LEU H 1.0 1.4 5.0 950 838 A 61 ILE H A 30 GLY HAy 1.0 1.4 5.0 951 839 A 37 GLY H A 35 VAL HA 1.0 1.5 6.0 952 839 A 37 GLY H A 6 GLY HAx 1.0 1.5 6.0 953 840 A 21 GLN H A 22 SER HBx 1.0 1.5 6.0 954 840 A 21 GLN H A 22 SER HBy 1.0 1.5 6.0 955 840 A 37 GLY H A 5 ILE HA 1.0 1.5 6.0 956 841 A 45 LYS H A 43 SER HBx 1.0 1.3 6.0 957 841 A 45 LYS H A 43 SER HBy 1.0 1.3 6.0 958 841 A 37 GLY H A 7 PRO HDy 1.0 1.3 6.0 959 842 A 59 LEU H A 56 ASN HBy 1.0 1.4 6.0 960 842 A 31 CYS HBy A 61 ILE H 1.0 1.4 6.0 961 843 A 47 CYS HBx A 61 ILE H 1.0 1.4 6.0 962 843 A 61 ILE H A 49 ASP HBy 1.0 1.4 6.0 963 843 A 31 CYS HBx A 61 ILE H 1.0 1.4 6.0 964 844 A 32 VAL HB A 34 GLY H 1.0 1.2 6.0 965 844 A 17 PRO HGx A 34 GLY H 1.0 1.2 6.0 966 844 A 17 PRO HGy A 34 GLY H 1.0 1.2 6.0 967 845 A 65 ASN HBy A 64 ALA H 1.0 1.3 6.0 968 845 A 65 ASN HBy A 49 ASP H 1.0 1.3 6.0 969 846 A 37 GLY HAx A 5 ILE H 1.0 1.3 6.0 970 846 A 37 GLY HAx A 36 ILE H 1.0 1.3 6.0 971 846 A 16 LYS H A 17 PRO HDx 1.0 1.3 6.0 972 847 A 28 SER HBx A 23 MET H 1.0 1.5 6.0 973 847 A 10 CYS H A 17 PRO HDx 1.0 1.5 6.0 974 848 A 11 SER H A 17 PRO HDx 1.0 1.3 6.0 975 848 A 27 ALA H A 28 SER HBx 1.0 1.3 6.0 976 849 A 9 THR H A 10 CYS H 1.0 1.2 3.6 977 849 A 9 THR H A 8 ASN H 1.0 1.2 3.6 978 850 A 21 GLN H A 60 ILE H 1.0 1.2 6.0 979 850 A 46 CYS H A 68 ALA H 1.0 1.2 6.0 980 851 A 61 ILE HA A 65 ASN HD2y 1.0 1.4 6.0 981 851 A 48 LYS HA A 65 ASN HD2y 1.0 1.4 6.0 982 852 A 12 ILE H A 13 ASP HBy 1.0 1.4 6.0 983 852 A 12 ILE H A 13 ASP HBx 1.0 1.4 6.0 984 852 A 12 ILE H A 10 CYS HBx 1.0 1.4 6.0 985 853 A 47 CYS HBx A 65 ASN HD2x 1.0 0.8 6.0 986 853 A 49 ASP HBy A 65 ASN HD2x 1.0 0.8 6.0 987 854 A 49 ASP H A 62 ASN HD2x 1.0 1.5 6.0 988 854 A 64 ALA H A 62 ASN HD2x 1.0 1.5 6.0 989 855 A 19 CYS H A 17 PRO HA 1.0 1.5 6.0 990 855 A 45 LYS H A 17 PRO HA 1.0 1.5 6.0 991 856 A 27 ALA H A 28 SER H 1.0 1.4 5.2 992 856 A 68 ALA H A 67 VAL H 1.0 1.4 5.2 993 857 A 31 CYS HA A 61 ILE H 1.0 1.3 6.0 994 857 A 31 CYS HA A 59 LEU H 1.0 1.3 6.0 995 858 A 23 MET HGx A 29 LEU H 1.0 1.3 6.0 996 858 A 23 MET HGy A 29 LEU H 1.0 1.3 6.0 997 858 A 61 ILE H A 49 ASP HBx 1.0 1.3 6.0 998 858 A 21 GLN HGx A 59 LEU H 1.0 1.3 6.0 999 858 A 21 GLN HGy A 29 LEU H 1.0 1.3 6.0 1000 858 A 21 GLN HGx A 29 LEU H 1.0 1.3 6.0 1001 859 A 40 CYS H A 5 ILE HA 1.0 1.4 6.0 1002 859 A 40 CYS H A 38 SER HBx 1.0 1.4 6.0 1003 860 A 51 VAL HA A 50 ASP HBy 1.0 1.5 6.0 1004 860 A 61 ILE HA A 62 ASN HBx 1.0 1.5 6.0 1005 861 A 36 ILE HA A 6 GLY HAx 1.0 1.5 5.9 1006 861 A 36 ILE HA A 35 VAL HA 1.0 1.5 5.9 1007 862 A 15 TYR HA A 48 LYS HA 1.0 1.5 5.9 1008 862 A 49 ASP HA A 48 LYS HA 1.0 1.5 5.9 1009 863 A 19 CYS HA A 40 CYS HBx 1.0 1.4 6.0 1010 863 A 18 TYR HBx A 19 CYS HA 1.0 1.4 6.0 1011 864 A 18 TYR HBy A 17 PRO HA 1.0 1.5 6.0 1012 864 A 46 CYS HBx A 17 PRO HA 1.0 1.5 6.0 1013 865 A 46 CYS HA A 10 CYS HBy 1.0 1.5 6.0 1014 865 A 47 CYS HBy A 46 CYS HA 1.0 1.5 6.0 1015 866 A 18 TYR HBx A 46 CYS HA 1.0 1.4 6.0 1016 866 A 47 CYS HBx A 46 CYS HA 1.0 1.4 6.0 1017 867 A 18 TYR HBy A 32 VAL HA 1.0 1.4 6.0 1018 867 A 46 CYS HBx A 10 CYS HA 1.0 1.4 6.0 1019 868 A 21 GLN HGx A 22 SER HA 1.0 1.4 6.0 1020 868 A 22 SER HA A 23 MET HGx 1.0 1.4 6.0 1021 868 A 22 SER HA A 23 MET HGy 1.0 1.4 6.0 1022 869 A 61 ILE HA A 62 ASN HBy 1.0 1.4 6.0 1023 869 A 53 ASN HBx A 52 THR HB 1.0 1.4 6.0 1024 870 A 33 VAL HA A 34 GLY HAx 1.0 1.5 6.0 1025 870 A 18 TYR HBy A 33 VAL HA 1.0 1.5 6.0 1026 871 A 18 TYR HBy A 32 VAL HB 1.0 1.4 5.2 1027 871 A 32 VAL HB A 34 GLY HAx 1.0 1.4 5.2 1028 871 A 18 TYR HBy A 17 PRO HGx 1.0 1.4 5.2 1029 871 A 17 PRO HGx A 34 GLY HAx 1.0 1.4 5.2 1030 871 A 19 CYS HBx A 32 VAL HB 1.0 1.4 5.2 1031 872 A 28 SER HBy A 23 MET HGy 1.0 1.5 5.7 1032 872 A 26 SER HBx A 23 MET HGy 1.0 1.5 5.7 1033 872 A 28 SER HBy A 23 MET HGx 1.0 1.5 5.7 1034 872 A 17 PRO HDy A 15 TYR HBx 1.0 1.5 5.7 1035 872 A 26 SER HBx A 23 MET HGx 1.0 1.5 5.7 1036 873 A 22 SER HBx A 23 MET HBx 1.0 1.4 5.4 1037 873 A 22 SER HBy A 23 MET HBx 1.0 1.4 5.4 1038 873 A 24 SER HBy A 23 MET HBx 1.0 1.4 5.4 1039 873 A 24 SER HBx A 23 MET HBx 1.0 1.4 5.4 1040 874 A 39 GLN HBx A 38 SER HBy 1.0 1.5 6.0 1041 874 A 36 ILE HB A 6 GLY HAx 1.0 1.5 6.0 1042 874 A 35 VAL HA A 36 ILE HB 1.0 1.5 6.0 1043 875 A 22 SER HBy A 23 MET HGy 1.0 1.5 6.0 1044 875 A 21 GLN HGx A 22 SER HBx 1.0 1.5 6.0 1045 875 A 22 SER HBx A 23 MET HGx 1.0 1.5 6.0 1046 875 A 22 SER HBx A 23 MET HGy 1.0 1.5 6.0 1047 875 A 21 GLN HGx A 22 SER HBy 1.0 1.5 6.0 1048 875 A 22 SER HBy A 23 MET HGx 1.0 1.5 6.0 1049 876 A 23 MET HGy A 30 GLY HAx 1.0 1.5 5.3 1050 876 A 21 GLN HGy A 30 GLY HAx 1.0 1.5 5.3 1051 876 A 21 GLN HGx A 30 GLY HAx 1.0 1.5 5.3 1052 877 A 15 TYR HA A 48 LYS HBx 1.0 1.5 5.5 1053 877 A 49 ASP HA A 48 LYS HBx 1.0 1.5 5.5 1054 878 A 15 TYR HBy A 16 LYS HGy 1.0 1.5 6.0 1055 878 A 12 ILE HB A 15 TYR HBy 1.0 1.5 6.0 1056 879 A 15 TYR HBx A 16 LYS HGy 1.0 1.3 4.3 1057 879 A 15 TYR HBx A 16 LYS HGx 1.0 1.3 4.3 1058 879 A 49 ASP HBx A 61 ILE HB 1.0 1.3 4.3 1059 879 A 12 ILE HB A 15 TYR HBx 1.0 1.3 4.3 1060 880 A 31 CYS HBx A 61 ILE HG1x 1.0 1.5 6.0 1061 880 A 47 CYS HBx A 61 ILE HG1x 1.0 1.5 6.0 1062 880 A 61 ILE HG1x A 49 ASP HBy 1.0 1.5 6.0 1063 881 A 47 CYS HA A 46 CYS HBy 1.0 1.5 6.0 1064 881 A 47 CYS HA A 66 CYS HBx 1.0 1.5 6.0 1065 882 A 65 ASN HA A 66 CYS HA 1.0 1.2 6.0 1066 882 A 31 CYS HA A 32 VAL HA 1.0 1.2 6.0 1067 883 A 46 CYS HBx A 17 PRO HBx 1.0 1.4 4.6 1068 883 A 46 CYS HBx A 16 LYS HBx 1.0 1.4 4.6 1069 883 A 17 PRO HBx A 34 GLY HAx 1.0 1.4 4.6 1070 884 A 18 TYR HBx A 61 ILE HB 1.0 1.0 6.0 1071 884 A 47 CYS HBx A 48 LYS HGx 1.0 1.0 6.0 1072 884 A 47 CYS HBx A 48 LYS HBy 1.0 1.0 6.0 1073 884 A 49 ASP HBy A 61 ILE HB 1.0 1.0 6.0 1074 884 A 47 CYS HBx A 61 ILE HB 1.0 1.0 6.0 1075 884 A 49 ASP HBy A 48 LYS HBy 1.0 1.0 6.0 1076 884 A 31 CYS HBx A 61 ILE HB 1.0 1.0 6.0 1077 884 A 47 CYS HBx A 48 LYS HGy 1.0 1.0 6.0 1078 885 A 5 ILE HG1x A 6 GLY HAy 1.0 1.4 6.0 1079 885 A 5 ILE HG1x A 4 THR HA 1.0 1.4 6.0 1080 886 A 49 ASP HBy A 48 LYS HBx 1.0 1.3 6.0 1081 886 A 47 CYS HBx A 48 LYS HBx 1.0 1.3 6.0 1082 887 A 36 ILE HA A 4 THR HB 1.0 1.2 6.0 1083 887 A 36 ILE HA A 38 SER HBx 1.0 1.2 6.0 1084 887 A 36 ILE HA A 5 ILE HA 1.0 1.2 6.0 1085 888 A 47 CYS HBx A 65 ASN HD2y 1.0 1.3 6.0 1086 888 A 49 ASP HBy A 65 ASN HD2y 1.0 1.3 6.0 1087 889 A 65 ASN HD2y A 48 LYS HGx 1.0 1.0 6.0 1088 889 A 65 ASN HD2y A 61 ILE HB 1.0 1.0 6.0 1089 889 A 48 LYS HBy A 65 ASN HD2y 1.0 1.0 6.0 1090 890 A 65 ASN HD2x A 48 LYS HGx 1.0 0.0 6.0 1091 890 A 48 LYS HBy A 65 ASN HD2x 1.0 0.0 6.0 1092 890 A 65 ASN HD2x A 61 ILE HB 1.0 0.0 6.0 1093 891 A 38 SER H A 36 ILE HB 1.0 1.0 6.0 1094 891 A 3 THR H A 39 GLN HBx 1.0 1.0 6.0 1095 892 A 65 ASN HBx A 62 ASN H 1.0 1.0 6.0 1096 892 A 31 CYS HBy A 33 VAL H 1.0 1.0 6.0 1097 893 A 22 SER HBx A 29 LEU H 1.0 1.0 6.0 1098 893 A 26 SER HBy A 29 LEU H 1.0 1.0 6.0 1099 893 A 22 SER HBy A 29 LEU H 1.0 1.0 6.0 1100 893 A 59 LEU H A 55 GLY HAx 1.0 1.0 6.0 1101 894 A 47 CYS HA A 48 LYS HEy 1.0 1.2 6.0 1102 894 A 47 CYS HA A 65 ASN HBy 1.0 1.2 6.0 1103 895 A 31 CYS HA A 33 VAL H 1.0 1.0 6.0 1104 895 A 20 CYS HA A 30 GLY H 1.0 1.0 6.0 1105 895 A 31 CYS HA A 30 GLY H 1.0 1.0 6.0 1106 896 A 20 CYS HA A 33 VAL H 1.0 1.0 6.0 1107 896 A 20 CYS HA A 30 GLY H 1.0 1.0 6.0 1108 897 A 47 CYS H A 16 LYS HGy 1.0 1.3 6.0 1109 897 A 47 CYS H A 16 LYS HGx 1.0 1.3 6.0 1110 897 A 47 CYS H A 48 LYS HGy 1.0 1.3 6.0 1111 897 A 47 CYS H A 48 LYS HBy 1.0 1.3 6.0 1112 898 A 39 GLN HGx A 38 SER HBy 1.0 1.0 6.0 1113 898 A 9 THR HB A 17 PRO HGy 1.0 1.0 6.0 1114 898 A 9 THR HB A 17 PRO HGx 1.0 1.0 6.0 1115 899 A 45 LYS HEx A 68 ALA HA 1.0 1.4 5.2 1116 899 A 46 CYS HBy A 67 VAL HA 1.0 1.4 5.2 1117 899 A 66 CYS HBx A 68 ALA HA 1.0 1.4 5.2 1118 899 A 66 CYS HBx A 67 VAL HA 1.0 1.4 5.2 1119 900 A 24 SER HBx A 23 MET HA 1.0 1.0 6.0 1120 900 A 24 SER HBy A 23 MET HA 1.0 1.0 6.0 1121 900 A 5 ILE HA A 4 THR HA 1.0 1.0 6.0 1122 900 A 5 ILE HA A 6 GLY HAy 1.0 1.0 6.0 1123 901 A 59 LEU H A 60 ILE H 1.0 1.0 6.0 1124 901 A 61 ILE H A 60 ILE H 1.0 1.0 6.0 stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 2 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 2 1H 12 stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 3 1H 12 3 15N 31 stop_ save_