data_nef_c17689_2le2 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_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 MET start . . 2 A 2 VAL middle . . 3 A 3 GLN middle . . 4 A 4 ASN middle . . 5 A 5 ASP middle . . 6 A 6 PHE middle . . 7 A 7 VAL middle . . 8 A 8 ASP middle . . 9 A 9 SER middle . . 10 A 10 TYR middle . . 11 A 11 ASP middle . . 12 A 12 VAL middle . . 13 A 13 THR middle . . 14 A 14 MET middle . . 15 A 15 LEU middle . . 16 A 16 LEU middle . . 17 A 17 GLN middle . . 18 A 18 ASP middle . . 19 A 19 ASP middle . . 20 A 20 ASP middle . . 21 A 21 GLY middle . false 22 A 22 LYS middle . . 23 A 23 GLN middle . . 24 A 24 TYR middle . . 25 A 25 TYR middle . . 26 A 26 GLU middle . . 27 A 27 TYR middle . . 28 A 28 HIS middle . . 29 A 29 LYS middle . . 30 A 30 GLY middle . false 31 A 31 LEU middle . . 32 A 32 SER middle . . 33 A 33 LEU middle . . 34 A 34 SER middle . . 35 A 35 ASP middle . . 36 A 36 PHE middle . . 37 A 37 GLU middle . . 38 A 38 VAL middle . . 39 A 39 LEU middle . . 40 A 40 TYR middle . . 41 A 41 GLY middle . false 42 A 42 ASN middle . . 43 A 43 THR middle . . 44 A 44 ALA middle . . 45 A 45 ASP middle . . 46 A 46 GLU middle . . 47 A 47 ILE middle . . 48 A 48 ILE middle . . 49 A 49 LYS middle . . 50 A 50 LEU middle . . 51 A 51 ARG middle . . 52 A 52 LEU middle . . 53 A 53 ASP middle . . 54 A 54 LYS middle . . 55 A 55 VAL middle . . 56 A 56 LEU end . . 57 B 1 MET start . . 58 B 2 VAL middle . . 59 B 3 GLN middle . . 60 B 4 ASN middle . . 61 B 5 ASP middle . . 62 B 6 PHE middle . . 63 B 7 VAL middle . . 64 B 8 ASP middle . . 65 B 9 SER middle . . 66 B 10 TYR middle . . 67 B 11 ASP middle . . 68 B 12 VAL middle . . 69 B 13 THR middle . . 70 B 14 MET middle . . 71 B 15 LEU middle . . 72 B 16 LEU middle . . 73 B 17 GLN middle . . 74 B 18 ASP middle . . 75 B 19 ASP middle . . 76 B 20 ASP middle . . 77 B 21 GLY middle . false 78 B 22 LYS middle . . 79 B 23 GLN middle . . 80 B 24 TYR middle . . 81 B 25 TYR middle . . 82 B 26 GLU middle . . 83 B 27 TYR middle . . 84 B 28 HIS middle . . 85 B 29 LYS middle . . 86 B 30 GLY middle . false 87 B 31 LEU middle . . 88 B 32 SER middle . . 89 B 33 LEU middle . . 90 B 34 SER middle . . 91 B 35 ASP middle . . 92 B 36 PHE middle . . 93 B 37 GLU middle . . 94 B 38 VAL middle . . 95 B 39 LEU middle . . 96 B 40 TYR middle . . 97 B 41 GLY middle . false 98 B 42 ASN middle . . 99 B 43 THR middle . . 100 B 44 ALA middle . . 101 B 45 ASP middle . . 102 B 46 GLU middle . . 103 B 47 ILE middle . . 104 B 48 ILE middle . . 105 B 49 LYS middle . . 106 B 50 LEU middle . . 107 B 51 ARG middle . . 108 B 52 LEU middle . . 109 B 53 ASP middle . . 110 B 54 LYS middle . . 111 B 55 VAL middle . . 112 B 56 LEU 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 MET HA H 1 4.200 0.020 A 2 VAL H H 1 8.565 0.020 A 2 VAL HA H 1 4.163 0.020 A 2 VAL HB H 1 2.074 0.020 A 2 VAL HGx% H 1 0.940 0.020 A 2 VAL HGy% H 1 0.930 0.020 A 2 VAL N N 15 122.900 0.3 A 3 GLN H H 1 8.473 0.020 A 3 GLN HA H 1 4.320 0.020 A 3 GLN HBy H 1 2.083 0.020 A 3 GLN HBx H 1 1.983 0.020 A 3 GLN HE21 H 1 6.811 0.020 A 3 GLN HE22 H 1 7.493 0.020 A 3 GLN HGy H 1 2.341 0.020 A 3 GLN HGx H 1 2.334 0.020 A 3 GLN N N 15 123.880 0.3 A 3 GLN NE2 N 15 112.150 0.3 A 4 ASN H H 1 8.381 0.020 A 4 ASN HA H 1 4.650 0.020 A 4 ASN HBy H 1 2.730 0.020 A 4 ASN HBx H 1 2.684 0.020 A 4 ASN HD21 H 1 6.842 0.020 A 4 ASN HD22 H 1 7.531 0.020 A 4 ASN N N 15 119.910 0.3 A 4 ASN ND2 N 15 112.610 0.3 A 5 ASP H H 1 8.238 0.020 A 5 ASP HA H 1 4.568 0.020 A 5 ASP HBy H 1 2.645 0.020 A 5 ASP HBx H 1 2.544 0.020 A 5 ASP N N 15 119.700 0.3 A 6 PHE H H 1 8.025 0.020 A 6 PHE HA H 1 4.663 0.020 A 6 PHE HBy H 1 3.205 0.020 A 6 PHE HBx H 1 3.029 0.020 A 6 PHE HD2 H 1 7.256 0.020 A 6 PHE HE2 H 1 7.368 0.020 A 6 PHE HZ H 1 7.334 0.020 A 6 PHE N N 15 119.540 0.3 A 7 VAL H H 1 7.985 0.020 A 7 VAL HA H 1 4.158 0.020 A 7 VAL HB H 1 2.082 0.020 A 7 VAL HGx% H 1 0.941 0.020 A 7 VAL HGy% H 1 0.917 0.020 A 7 VAL N N 15 120.550 0.3 A 8 ASP H H 1 8.205 0.020 A 8 ASP HA H 1 4.623 0.020 A 8 ASP HBy H 1 2.753 0.020 A 8 ASP HBx H 1 2.481 0.020 A 8 ASP N N 15 123.470 0.3 A 9 SER H H 1 8.337 0.020 A 9 SER HA H 1 4.785 0.020 A 9 SER HBy H 1 3.535 0.020 A 9 SER HBx H 1 3.464 0.020 A 9 SER N N 15 116.500 0.3 A 10 TYR H H 1 9.584 0.020 A 10 TYR HA H 1 5.053 0.020 A 10 TYR HBy H 1 2.539 0.020 A 10 TYR HBx H 1 2.504 0.020 A 10 TYR HD2 H 1 6.800 0.020 A 10 TYR HE2 H 1 6.663 0.020 A 10 TYR N N 15 120.450 0.3 A 11 ASP H H 1 8.970 0.020 A 11 ASP HA H 1 5.533 0.020 A 11 ASP HBy H 1 2.874 0.020 A 11 ASP HBx H 1 2.682 0.020 A 11 ASP N N 15 121.160 0.3 A 12 VAL H H 1 9.182 0.020 A 12 VAL HA H 1 5.293 0.020 A 12 VAL HB H 1 2.117 0.020 A 12 VAL HGx% H 1 1.080 0.020 A 12 VAL HGy% H 1 1.018 0.020 A 12 VAL N N 15 123.530 0.3 A 13 THR H H 1 9.172 0.020 A 13 THR HA H 1 5.139 0.020 A 13 THR HB H 1 4.010 0.020 A 13 THR HG2% H 1 1.244 0.020 A 13 THR N N 15 124.760 0.3 A 14 MET H H 1 9.172 0.020 A 14 MET HA H 1 5.216 0.020 A 14 MET HBy H 1 1.974 0.020 A 14 MET HBx H 1 1.949 0.020 A 14 MET HE% H 1 2.019 0.020 A 14 MET HGy H 1 2.495 0.020 A 14 MET HGx H 1 2.485 0.020 A 14 MET N N 15 124.600 0.3 A 15 LEU H H 1 8.934 0.020 A 15 LEU HA H 1 4.441 0.020 A 15 LEU HBy H 1 0.900 0.020 A 15 LEU HBx H 1 0.890 0.020 A 15 LEU HDx% H 1 0.652 0.020 A 15 LEU HDy% H 1 0.000 0.020 A 15 LEU HG H 1 0.880 0.020 A 15 LEU N N 15 125.470 0.3 A 16 LEU H H 1 8.674 0.020 A 16 LEU HA H 1 5.185 0.020 A 16 LEU HBy H 1 1.187 0.020 A 16 LEU HBx H 1 1.178 0.020 A 16 LEU HDx% H 1 0.777 0.020 A 16 LEU HDy% H 1 0.700 0.020 A 16 LEU HG H 1 1.167 0.020 A 16 LEU N N 15 129.120 0.3 A 17 GLN H H 1 8.638 0.020 A 17 GLN HA H 1 5.312 0.020 A 17 GLN HBy H 1 1.933 0.020 A 17 GLN HBx H 1 1.707 0.020 A 17 GLN HE21 H 1 6.622 0.020 A 17 GLN HE22 H 1 7.805 0.020 A 17 GLN HGy H 1 2.610 0.020 A 17 GLN HGx H 1 1.822 0.020 A 17 GLN N N 15 118.200 0.3 A 17 GLN NE2 N 15 112.350 0.3 A 18 ASP H H 1 8.877 0.020 A 18 ASP HA H 1 4.808 0.020 A 18 ASP HBy H 1 3.504 0.020 A 18 ASP HBx H 1 2.805 0.020 A 18 ASP N N 15 126.700 0.3 A 19 ASP H H 1 8.775 0.020 A 19 ASP HA H 1 4.454 0.020 A 19 ASP HBy H 1 2.809 0.020 A 19 ASP HBx H 1 2.757 0.020 A 19 ASP N N 15 117.840 0.3 A 20 ASP H H 1 8.261 0.020 A 20 ASP HA H 1 4.841 0.020 A 20 ASP HBy H 1 2.876 0.020 A 20 ASP HBx H 1 2.754 0.020 A 20 ASP N N 15 118.400 0.3 A 21 GLY H H 1 8.188 0.020 A 21 GLY HAy H 1 4.282 0.020 A 21 GLY HAx H 1 3.532 0.020 A 21 GLY N N 15 108.270 0.3 A 22 LYS H H 1 8.433 0.020 A 22 LYS HA H 1 4.305 0.020 A 22 LYS HBy H 1 1.995 0.020 A 22 LYS HBx H 1 1.920 0.020 A 22 LYS HDy H 1 1.733 0.020 A 22 LYS HDx H 1 1.689 0.020 A 22 LYS HE2 H 1 3.000 0.020 A 22 LYS HE3 H 1 3.000 0.020 A 22 LYS HGy H 1 1.515 0.020 A 22 LYS HGx H 1 1.324 0.020 A 22 LYS N N 15 123.480 0.3 A 23 GLN H H 1 8.426 0.020 A 23 GLN HA H 1 5.710 0.020 A 23 GLN HBy H 1 1.881 0.020 A 23 GLN HBx H 1 1.746 0.020 A 23 GLN HE21 H 1 6.643 0.020 A 23 GLN HE22 H 1 7.511 0.020 A 23 GLN HGy H 1 2.530 0.020 A 23 GLN HGx H 1 2.061 0.020 A 23 GLN N N 15 122.260 0.3 A 23 GLN NE2 N 15 108.660 0.3 A 24 TYR H H 1 8.927 0.020 A 24 TYR HA H 1 4.904 0.020 A 24 TYR HBy H 1 2.978 0.020 A 24 TYR HBx H 1 2.956 0.020 A 24 TYR HD2 H 1 6.833 0.020 A 24 TYR HE2 H 1 6.674 0.020 A 24 TYR N N 15 120.420 0.3 A 25 TYR H H 1 8.654 0.020 A 25 TYR HA H 1 5.384 0.020 A 25 TYR HBy H 1 2.800 0.020 A 25 TYR HBx H 1 2.479 0.020 A 25 TYR HD1 H 1 6.960 0.020 A 25 TYR HE1 H 1 6.694 0.020 A 25 TYR N N 15 118.880 0.3 A 26 GLU H H 1 9.067 0.020 A 26 GLU HA H 1 4.620 0.020 A 26 GLU HBy H 1 1.970 0.020 A 26 GLU HBx H 1 1.944 0.020 A 26 GLU HGy H 1 2.408 0.020 A 26 GLU HGx H 1 2.241 0.020 A 26 GLU N N 15 120.270 0.3 A 27 TYR H H 1 8.654 0.020 A 27 TYR HA H 1 5.419 0.020 A 27 TYR HBy H 1 2.960 0.020 A 27 TYR HBx H 1 2.832 0.020 A 27 TYR HD1 H 1 7.214 0.020 A 27 TYR HE1 H 1 6.677 0.020 A 27 TYR N N 15 123.610 0.3 A 28 HIS H H 1 9.114 0.020 A 28 HIS HA H 1 4.858 0.020 A 28 HIS HBy H 1 3.216 0.020 A 28 HIS HBx H 1 2.954 0.020 A 28 HIS HD2 H 1 6.803 0.020 A 28 HIS HE1 H 1 8.570 0.020 A 28 HIS N N 15 120.690 0.3 A 29 LYS H H 1 8.871 0.020 A 29 LYS HA H 1 4.961 0.020 A 29 LYS HBy H 1 1.836 0.020 A 29 LYS HBx H 1 1.721 0.020 A 29 LYS HDy H 1 1.716 0.020 A 29 LYS HDx H 1 1.668 0.020 A 29 LYS HEy H 1 2.953 0.020 A 29 LYS HEx H 1 2.950 0.020 A 29 LYS HGy H 1 1.443 0.020 A 29 LYS HGx H 1 1.289 0.020 A 29 LYS N N 15 124.700 0.3 A 30 GLY H H 1 8.739 0.020 A 30 GLY HAy H 1 3.839 0.020 A 30 GLY HAx H 1 3.634 0.020 A 30 GLY N N 15 112.960 0.3 A 31 LEU H H 1 9.349 0.020 A 31 LEU HA H 1 4.782 0.020 A 31 LEU HBy H 1 1.971 0.020 A 31 LEU HBx H 1 1.717 0.020 A 31 LEU HDx% H 1 0.869 0.020 A 31 LEU HDy% H 1 0.857 0.020 A 31 LEU HG H 1 1.819 0.020 A 31 LEU N N 15 122.260 0.3 A 32 SER H H 1 8.993 0.020 A 32 SER HA H 1 5.053 0.020 A 32 SER HBy H 1 4.480 0.020 A 32 SER HBx H 1 4.113 0.020 A 32 SER N N 15 117.760 0.3 A 33 LEU H H 1 9.582 0.020 A 33 LEU HA H 1 4.101 0.020 A 33 LEU HBx H 1 1.784 0.020 A 33 LEU HBy H 1 1.785 0.020 A 33 LEU HDx% H 1 0.783 0.020 A 33 LEU HDy% H 1 0.469 0.020 A 33 LEU HG H 1 1.770 0.020 A 33 LEU N N 15 122.480 0.3 A 34 SER H H 1 8.324 0.020 A 34 SER HA H 1 4.210 0.020 A 34 SER HBy H 1 4.111 0.020 A 34 SER HBx H 1 3.877 0.020 A 34 SER N N 15 113.790 0.3 A 35 ASP H H 1 7.938 0.020 A 35 ASP HA H 1 4.443 0.020 A 35 ASP HBy H 1 3.137 0.020 A 35 ASP HBx H 1 2.686 0.020 A 35 ASP N N 15 121.960 0.3 A 36 PHE H H 1 8.649 0.020 A 36 PHE HA H 1 4.100 0.020 A 36 PHE HBy H 1 3.391 0.020 A 36 PHE HBx H 1 2.904 0.020 A 36 PHE HD2 H 1 7.037 0.020 A 36 PHE HE2 H 1 6.724 0.020 A 36 PHE HZ H 1 6.636 0.020 A 36 PHE N N 15 122.350 0.3 A 37 GLU H H 1 8.169 0.020 A 37 GLU HA H 1 3.288 0.020 A 37 GLU HBy H 1 2.227 0.020 A 37 GLU HBx H 1 2.012 0.020 A 37 GLU HGy H 1 2.586 0.020 A 37 GLU HGx H 1 2.283 0.020 A 37 GLU N N 15 120.010 0.3 A 38 VAL H H 1 7.404 0.020 A 38 VAL HA H 1 3.562 0.020 A 38 VAL HB H 1 2.064 0.020 A 38 VAL HGx% H 1 1.054 0.020 A 38 VAL HGy% H 1 0.872 0.020 A 38 VAL N N 15 119.850 0.3 A 39 LEU H H 1 7.593 0.020 A 39 LEU HA H 1 3.958 0.020 A 39 LEU HBy H 1 1.712 0.020 A 39 LEU HBx H 1 1.438 0.020 A 39 LEU HDx% H 1 0.526 0.020 A 39 LEU HDy% H 1 0.524 0.020 A 39 LEU HG H 1 1.244 0.020 A 39 LEU N N 15 121.490 0.3 A 40 TYR H H 1 8.743 0.020 A 40 TYR HA H 1 3.647 0.020 A 40 TYR HBy H 1 2.309 0.020 A 40 TYR HBx H 1 2.193 0.020 A 40 TYR HD2 H 1 6.526 0.020 A 40 TYR HE2 H 1 6.473 0.020 A 40 TYR N N 15 120.440 0.3 A 41 GLY H H 1 7.678 0.020 A 41 GLY HAy H 1 3.754 0.020 A 41 GLY HAx H 1 3.657 0.020 A 41 GLY N N 15 105.790 0.3 A 42 ASN H H 1 7.370 0.020 A 42 ASN HA H 1 4.790 0.020 A 42 ASN HBy H 1 2.900 0.020 A 42 ASN HBx H 1 2.670 0.020 A 42 ASN HD21 H 1 6.804 0.020 A 42 ASN HD22 H 1 7.562 0.020 A 42 ASN N N 15 116.630 0.3 A 42 ASN ND2 N 15 112.880 0.3 A 43 THR H H 1 7.271 0.020 A 43 THR HA H 1 4.052 0.020 A 43 THR HB H 1 4.023 0.020 A 43 THR HG2% H 1 1.154 0.020 A 43 THR N N 15 117.900 0.3 A 44 ALA H H 1 8.500 0.020 A 44 ALA HA H 1 4.303 0.020 A 44 ALA HB% H 1 1.364 0.020 A 45 ASP H H 1 7.403 0.020 A 45 ASP HA H 1 4.877 0.020 A 45 ASP HBy H 1 2.752 0.020 A 45 ASP HBx H 1 2.384 0.020 A 45 ASP N N 15 117.770 0.3 A 46 GLU H H 1 7.704 0.020 A 46 GLU HA H 1 4.068 0.020 A 46 GLU HBy H 1 2.021 0.020 A 46 GLU HBx H 1 1.853 0.020 A 46 GLU HGy H 1 2.320 0.020 A 46 GLU HGx H 1 2.074 0.020 A 46 GLU N N 15 118.810 0.3 A 47 ILE H H 1 8.530 0.020 A 47 ILE HA H 1 3.890 0.020 A 47 ILE HB H 1 1.677 0.020 A 47 ILE HD1% H 1 0.621 0.020 A 47 ILE HG1y H 1 1.673 0.020 A 47 ILE HG1x H 1 1.662 0.020 A 47 ILE HG2% H 1 0.782 0.020 A 48 ILE H H 1 9.177 0.020 A 48 ILE HA H 1 4.322 0.020 A 48 ILE HB H 1 1.777 0.020 A 48 ILE HD1% H 1 0.480 0.020 A 48 ILE HG1y H 1 1.387 0.020 A 48 ILE HG1x H 1 1.049 0.020 A 48 ILE HG2% H 1 0.934 0.020 A 48 ILE N N 15 129.130 0.3 A 49 LYS H H 1 7.964 0.020 A 49 LYS HA H 1 5.314 0.020 A 49 LYS HBy H 1 1.844 0.020 A 49 LYS HBx H 1 1.843 0.020 A 49 LYS HDy H 1 1.763 0.020 A 49 LYS HDx H 1 1.744 0.020 A 49 LYS HEy H 1 3.059 0.020 A 49 LYS HEx H 1 2.937 0.020 A 49 LYS HGy H 1 1.622 0.020 A 49 LYS HGx H 1 1.404 0.020 A 49 LYS N N 15 115.080 0.3 A 50 LEU H H 1 9.012 0.020 A 50 LEU HA H 1 5.213 0.020 A 50 LEU HBy H 1 1.584 0.020 A 50 LEU HBx H 1 1.559 0.020 A 50 LEU HDx% H 1 0.984 0.020 A 50 LEU HDy% H 1 0.750 0.020 A 50 LEU HG H 1 1.564 0.020 A 50 LEU N N 15 122.010 0.3 A 51 ARG H H 1 9.503 0.020 A 51 ARG HA H 1 5.211 0.020 A 51 ARG HBy H 1 2.088 0.020 A 51 ARG HBx H 1 1.951 0.020 A 51 ARG HDy H 1 3.259 0.020 A 51 ARG HDx H 1 3.252 0.020 A 51 ARG HGy H 1 1.794 0.020 A 51 ARG HGx H 1 1.657 0.020 A 51 ARG N N 15 127.740 0.3 A 52 LEU H H 1 8.658 0.020 A 52 LEU HA H 1 5.173 0.020 A 52 LEU HBy H 1 1.465 0.020 A 52 LEU HBx H 1 1.458 0.020 A 52 LEU HDx% H 1 -0.002 0.020 A 52 LEU HDy% H 1 -0.040 0.020 A 52 LEU HG H 1 1.100 0.020 A 52 LEU N N 15 124.920 0.3 A 53 ASP H H 1 8.773 0.020 A 53 ASP HA H 1 5.448 0.020 A 53 ASP HBy H 1 2.603 0.020 A 53 ASP HBx H 1 2.580 0.020 A 53 ASP N N 15 124.020 0.3 A 54 LYS H H 1 8.762 0.020 A 54 LYS HA H 1 3.793 0.020 A 54 LYS HBy H 1 2.013 0.020 A 54 LYS HBx H 1 1.668 0.020 A 54 LYS HDy H 1 1.604 0.020 A 54 LYS HDx H 1 1.407 0.020 A 54 LYS HEy H 1 2.864 0.020 A 54 LYS HEx H 1 2.779 0.020 A 54 LYS HGy H 1 1.133 0.020 A 54 LYS HGx H 1 1.127 0.020 A 54 LYS N N 15 126.280 0.3 A 55 VAL H H 1 8.630 0.020 A 55 VAL HA H 1 3.900 0.020 A 55 VAL HB H 1 1.848 0.020 A 55 VAL HGx% H 1 0.873 0.020 A 55 VAL HGy% H 1 0.784 0.020 A 55 VAL N N 15 128.630 0.3 A 56 LEU H H 1 7.819 0.020 A 56 LEU HA H 1 4.204 0.020 A 56 LEU HBx H 1 1.571 0.020 A 56 LEU HBy H 1 1.574 0.020 A 56 LEU HDx% H 1 0.884 0.020 A 56 LEU HDy% H 1 0.804 0.020 A 56 LEU HG H 1 1.563 0.020 A 56 LEU N N 15 132.860 0.3 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 2 VAL H A 2 VAL HGx% 1.0 . 6.0 2 2 A 2 VAL HGx% A 4 ASN H 1.0 . 6.0 3 3 A 3 GLN H A 3 GLN HBy 1.0 . 3.5 4 4 A 3 GLN H A 3 GLN HBx 1.0 . 3.5 5 5 A 3 GLN H A 3 GLN HGy 1.0 . 5.0 6 6 A 4 ASN H A 3 GLN HA 1.0 . 2.6 7 7 A 3 GLN HA A 5 ASP H 1.0 . 6.0 8 8 A 3 GLN HA A 6 PHE CG 1.0 . 7.2 9 9 A 4 ASN H A 4 ASN HBy 1.0 . 3.5 10 10 A 4 ASN H A 4 ASN HBx 1.0 . 5.0 11 11 A 5 ASP H A 5 ASP HBy 1.0 . 3.5 12 12 A 5 ASP H A 5 ASP HBx 1.0 . 3.5 13 13 A 5 ASP H A 6 PHE H 1.0 . 5.0 14 14 A 5 ASP H A 7 VAL HA 1.0 . 5.0 15 15 A 5 ASP H A 7 VAL HB 1.0 . 5.0 16 16 A 5 ASP H A 7 VAL HGx% 1.0 . 6.0 17 17 A 6 PHE H A 5 ASP HA 1.0 . 3.5 18 18 A 5 ASP HBy A 6 PHE H 1.0 . 5.0 19 19 A 5 ASP HBx A 6 PHE H 1.0 . 5.0 20 20 A 6 PHE H A 6 PHE HBy 1.0 . 5.0 21 21 A 6 PHE H A 6 PHE HBx 1.0 . 3.5 22 22 A 6 PHE H A 7 VAL HGx% 1.0 . 6.0 23 23 A 6 PHE HBy A 7 VAL H 1.0 . 5.0 24 24 A 6 PHE HBx A 7 VAL H 1.0 . 5.0 25 25 A 6 PHE CG A 13 THR HG2% 1.0 . 8.2 26 26 A 13 THR HG2% A 6 PHE CZ 1.0 . 8.2 27 27 A 13 THR HG2% A 6 PHE HZ 1.0 . 6.0 28 28 A 7 VAL HB A 7 VAL H 1.0 . 2.6 29 29 A 7 VAL HGx% A 7 VAL H 1.0 . 6.0 30 30 A 7 VAL H A 7 VAL HGy% 1.0 . 3.6 31 31 A 7 VAL HA A 8 ASP H 1.0 . 2.6 32 32 A 7 VAL HB A 8 ASP H 1.0 . 5.0 33 33 A 7 VAL HGx% A 8 ASP H 1.0 . 6.0 34 34 A 8 ASP H A 8 ASP HBy 1.0 . 3.5 35 35 A 8 ASP H A 8 ASP HBx 1.0 . 5.0 36 36 A 8 ASP HBy A 9 SER H 1.0 . 3.5 37 37 A 8 ASP HBx A 9 SER H 1.0 . 3.5 38 38 A 9 SER H A 9 SER HBy 1.0 . 5.0 39 39 A 9 SER H A 9 SER HBx 1.0 . 5.0 40 40 A 9 SER H A 55 VAL HB 1.0 . 6.0 41 41 A 9 SER H A 55 VAL HGx% 1.0 . 6.0 42 42 A 9 SER H A 55 VAL HGy% 1.0 . 6.0 43 43 A 9 SER HA A 10 TYR H 1.0 . 2.6 44 44 A 55 VAL HGy% A 9 SER HA 1.0 . 6.0 45 45 A 9 SER HBy A 10 TYR H 1.0 . 5.0 46 46 A 9 SER HBy A 30 GLY HAy 1.0 . 5.0 47 47 A 9 SER HBy A 30 GLY HAx 1.0 . 5.0 48 48 A 9 SER HBy A 31 LEU H 1.0 . 6.0 49 49 A 9 SER HBx A 30 GLY HAy 1.0 . 5.0 50 50 A 9 SER HBx A 30 GLY HAx 1.0 . 5.0 51 51 A 10 TYR H A 10 TYR HBy 1.0 . 3.5 52 52 A 10 TYR H A 10 TYR HBx 1.0 . 5.0 53 53 A 10 TYR H A 30 GLY HAx 1.0 . 6.0 54 54 A 10 TYR H A 31 LEU H 1.0 . 3.5 55 55 A 10 TYR H A 32 SER HA 1.0 . 5.0 56 56 A 10 TYR H A 32 SER HBy 1.0 . 5.0 57 57 A 10 TYR H A 32 SER HBx 1.0 . 5.0 58 58 A 10 TYR H A 33 LEU HDy% 1.0 . 6.0 59 59 A 10 TYR H A 52 LEU HDx% 1.0 . 6.0 60 60 A 55 VAL HGx% A 10 TYR H 1.0 . 6.0 61 61 A 55 VAL HGy% A 10 TYR H 1.0 . 6.0 62 62 A 10 TYR HA A 11 ASP H 1.0 . 2.6 63 63 A 33 LEU HDy% A 10 TYR HA 1.0 . 6.0 64 64 A 52 LEU HDx% A 10 TYR HA 1.0 . 6.0 65 65 A 10 TYR HA A 54 LYS HA 1.0 . 2.6 66 66 A 10 TYR HA A 54 LYS HBy 1.0 . 5.0 67 67 A 10 TYR HA A 54 LYS HBx 1.0 . 5.0 68 68 A 10 TYR HA A 55 VAL H 1.0 . 3.5 69 69 A 55 VAL HB A 10 TYR HA 1.0 . 5.0 70 70 A 55 VAL HGx% A 10 TYR HA 1.0 . 6.0 71 71 A 55 VAL HGy% A 10 TYR HA 1.0 . 4.5 72 72 A 10 TYR HBy A 11 ASP H 1.0 . 5.0 73 73 A 31 LEU H A 10 TYR HBy 1.0 . 6.0 74 74 A 10 TYR HBy A 52 LEU HDx% 1.0 . 6.0 75 75 A 10 TYR HBy A 52 LEU HDy% 1.0 . 6.0 76 76 A 10 TYR HBy A 54 LYS HA 1.0 . 5.0 77 77 A 10 TYR HBx A 52 LEU HDx% 1.0 . 4.5 78 78 A 10 TYR HBx A 52 LEU HDy% 1.0 . 6.0 79 79 A 10 TYR HBx A 54 LYS HA 1.0 . 5.0 80 80 A 31 LEU H A 10 TYR CG 1.0 . 7.2 81 81 A 10 TYR CG A 52 LEU HA 1.0 . 7.2 82 82 A 10 TYR CG A 52 LEU HBx 1.0 . 6.0 83 83 A 10 TYR CG A 52 LEU HG 1.0 . 4.5 84 84 A 52 LEU HDx% A 10 TYR CG 1.0 . 6.7 85 85 A 52 LEU HDy% A 10 TYR CG 1.0 . 6.7 86 86 A 10 TYR CG A 53 ASP H 1.0 . 5.7 87 87 A 54 LYS HA A 10 TYR CG 1.0 . 7.2 88 88 A 54 LYS HA A 10 TYR CG 1.0 . 5.7 89 89 A 55 VAL H A 10 TYR CG 1.0 . 7.2 90 90 A 10 TYR CG B 47 ILE HG21 1.0 . 8.2 91 91 A 52 LEU HA A 10 TYR CZ 1.0 . 7.2 92 92 A 52 LEU HDx% A 10 TYR CZ 1.0 . 8.2 93 93 A 52 LEU HDy% A 10 TYR CZ 1.0 . 8.2 94 94 A 53 ASP H A 10 TYR CZ 1.0 . 5.7 95 95 A 55 VAL H A 10 TYR CZ 1.0 . 7.2 96 96 B 47 ILE HG21 A 10 TYR CZ 1.0 . 5.8 97 97 A 10 TYR CZ B 47 ILE HD11 1.0 . 6.7 98 98 A 10 TYR CZ B 48 ILE HA 1.0 . 7.2 99 99 A 11 ASP N A 53 ASP O 1.0 . 3.5 100 100 A 11 ASP H A 11 ASP HBy 1.0 . 3.5 101 101 A 11 ASP H A 11 ASP HBx 1.0 . 3.5 102 102 A 11 ASP H A 29 LYS HA 1.0 . 6.0 103 103 A 11 ASP H A 52 LEU HG 1.0 . 5.0 104 104 A 52 LEU HDx% A 11 ASP H 1.0 . 6.0 105 105 A 11 ASP H A 53 ASP H 1.0 . 3.5 106 106 A 11 ASP H A 54 LYS HA 1.0 . 5.0 107 107 A 55 VAL HGx% A 11 ASP H 1.0 . 6.0 108 108 A 55 VAL HGy% A 11 ASP H 1.0 . 4.5 109 109 A 11 ASP HA A 12 VAL H 1.0 . 2.6 110 110 A 11 ASP HA A 27 TYR CG 1.0 . 7.2 111 111 A 11 ASP HA A 28 HIS H 1.0 . 5.0 112 112 A 29 LYS HA A 11 ASP HA 1.0 . 2.6 113 113 A 11 ASP HA A 29 LYS HBy 1.0 . 5.0 114 114 A 11 ASP HA A 29 LYS HBx 1.0 . 5.0 115 115 A 11 ASP HA A 29 LYS HGy 1.0 . 5.0 116 116 A 11 ASP HA A 29 LYS HGx 1.0 . 5.0 117 117 A 11 ASP HA A 29 LYS HDy 1.0 . 5.0 118 118 A 11 ASP HA A 30 GLY H 1.0 . 3.5 119 119 A 31 LEU H A 11 ASP HA 1.0 . 5.0 120 120 A 11 ASP HA A 31 LEU HDx% 1.0 . 6.0 121 121 A 11 ASP HA A 31 LEU HDy% 1.0 . 6.0 122 122 A 52 LEU HDy% A 11 ASP HA 1.0 . 6.0 123 123 A 55 VAL HGy% A 11 ASP HA 1.0 . 6.0 124 124 A 11 ASP HBy A 12 VAL H 1.0 . 3.5 125 125 A 11 ASP HBy A 29 LYS HA 1.0 . 5.0 126 126 A 11 ASP HBx A 12 VAL H 1.0 . 5.0 127 127 A 11 ASP HBx A 29 LYS HA 1.0 . 5.0 128 128 A 11 ASP O A 53 ASP N 1.0 . 3.5 129 129 A 12 VAL N A 28 HIS O 1.0 . 3.5 130 130 A 12 VAL H A 12 VAL HB 1.0 . 3.5 131 131 A 12 VAL H A 12 VAL HGx% 1.0 . 6.0 132 132 A 12 VAL H A 12 VAL HGy% 1.0 . 4.5 133 133 A 29 LYS HA A 12 VAL H 1.0 . 5.0 134 134 A 52 LEU HDx% A 12 VAL H 1.0 . 7.0 135 135 A 12 VAL HA A 13 THR H 1.0 . 2.6 136 136 A 12 VAL HA A 39 LEU HDx% 1.0 . 6.0 137 137 A 52 LEU HA A 12 VAL HA 1.0 . 2.6 138 138 A 52 LEU HDx% A 12 VAL HA 1.0 . 6.0 139 139 A 52 LEU HDy% A 12 VAL HA 1.0 . 6.0 140 140 A 53 ASP H A 12 VAL HA 1.0 . 5.0 141 141 A 28 HIS H A 12 VAL HB 1.0 . 5.0 142 142 A 12 VAL HB A 28 HIS HA 1.0 . 5.0 143 143 A 12 VAL HB A 28 HIS HBy 1.0 . 5.0 144 144 A 12 VAL HB A 28 HIS HBx 1.0 . 5.0 145 145 A 12 VAL HB A 28 HIS HD2 1.0 . 5.0 146 146 A 12 VAL HB A 36 PHE CG 1.0 . 7.2 147 147 A 12 VAL HB A 36 PHE CG 1.0 . 7.2 148 148 A 12 VAL HB A 39 LEU HDx% 1.0 . 6.0 149 149 A 12 VAL HGx% A 14 MET HGy 1.0 . 4.5 150 150 A 12 VAL HGx% A 14 MET HE% 1.0 . 7.0 151 151 A 27 TYR CG A 12 VAL HGx% 1.0 . 8.2 152 152 A 28 HIS H A 12 VAL HGx% 1.0 . 6.0 153 153 A 12 VAL HGx% A 28 HIS HBy 1.0 . 6.0 154 154 A 12 VAL HGx% A 28 HIS HD2 1.0 . 6.0 155 155 A 12 VAL HGx% A 36 PHE HBy 1.0 . 6.0 156 156 A 12 VAL HGx% A 36 PHE HBy 1.0 . 6.0 157 157 A 12 VAL HGx% A 36 PHE CG 1.0 . 5.8 158 158 A 12 VAL HGx% A 36 PHE CG 1.0 . 6.7 159 159 A 12 VAL HGx% A 36 PHE CZ 1.0 . 6.7 160 160 A 12 VAL HGx% A 36 PHE CZ 1.0 . 6.7 161 161 A 12 VAL HGx% A 36 PHE HZ 1.0 . 6.0 162 162 A 12 VAL HGx% A 39 LEU HDx% 1.0 . 7.0 163 163 A 12 VAL HGx% A 51 ARG H 1.0 . 6.0 164 164 A 12 VAL HGy% A 28 HIS HBy 1.0 . 6.0 165 165 A 12 VAL HGy% A 28 HIS HD2 1.0 . 6.0 166 166 A 31 LEU H A 12 VAL HGy% 1.0 . 6.0 167 167 A 12 VAL HGy% A 36 PHE HBy 1.0 . 6.0 168 168 A 12 VAL HGy% A 36 PHE HBy 1.0 . 6.0 169 169 A 12 VAL HGy% A 36 PHE CG 1.0 . 5.8 170 170 A 12 VAL HGy% A 36 PHE CG 1.0 . 5.8 171 171 A 12 VAL HGy% A 36 PHE CZ 1.0 . 6.7 172 172 A 12 VAL HGy% A 36 PHE CZ 1.0 . 6.7 173 173 A 12 VAL HGy% A 36 PHE HZ 1.0 . 6.0 174 174 A 12 VAL HGy% A 39 LEU HDx% 1.0 . 7.0 175 175 A 12 VAL O A 28 HIS N 1.0 . 3.5 176 176 A 13 THR N A 51 ARG O 1.0 . 3.5 177 177 A 27 TYR CG A 13 THR H 1.0 . 7.2 178 178 A 13 THR H A 51 ARG H 1.0 . 3.5 179 179 A 52 LEU HDx% A 13 THR H 1.0 . 7.0 180 180 A 13 THR HA A 14 MET H 1.0 . 2.6 181 181 A 13 THR HA A 25 TYR CG 1.0 . 7.2 182 182 A 13 THR HA A 27 TYR HA 1.0 . 2.6 183 183 A 27 TYR CG A 13 THR HA 1.0 . 5.7 184 184 A 28 HIS H A 13 THR HA 1.0 . 5.0 185 185 A 28 HIS HD2 A 13 THR HA 1.0 . 5.0 186 186 A 25 TYR CG A 13 THR HB 1.0 . 7.2 187 187 A 27 TYR HA A 13 THR HB 1.0 . 5.0 188 188 A 27 TYR CG A 13 THR HB 1.0 . 7.2 189 189 A 51 ARG H A 13 THR HB 1.0 . 5.0 190 190 A 13 THR HB A 51 ARG HA 1.0 . 5.0 191 191 A 13 THR HB A 51 ARG HBy 1.0 . 3.5 192 192 A 13 THR HB A 51 ARG HBx 1.0 . 3.5 193 193 A 13 THR HB A 51 ARG HGy 1.0 . 5.0 194 194 A 13 THR HB A 51 ARG HGx 1.0 . 5.0 195 195 A 13 THR HB A 51 ARG HDy 1.0 . 5.0 196 196 A 13 THR HG2% A 25 TYR HBy 1.0 . 6.0 197 197 A 13 THR HG2% A 25 TYR HBx 1.0 . 6.0 198 198 A 13 THR HG2% A 25 TYR CG 1.0 . 5.8 199 199 A 13 THR HG2% A 25 TYR CZ 1.0 . 6.7 200 200 A 13 THR HG2% A 26 GLU H 1.0 . 6.0 201 201 A 13 THR HG2% A 27 TYR HA 1.0 . 6.0 202 202 A 13 THR HG2% A 27 TYR CG 1.0 . 6.7 203 203 A 13 THR HG2% A 27 TYR CZ 1.0 . 6.7 204 204 A 13 THR HG2% A 28 HIS H 1.0 . 6.0 205 205 A 13 THR HG2% A 51 ARG H 1.0 . 6.0 206 206 A 13 THR HG2% A 51 ARG HDy 1.0 . 7.0 207 207 A 13 THR HG2% B 51 ARG HDx 1.0 . 6.0 208 208 A 13 THR O A 51 ARG N 1.0 . 3.5 209 209 A 14 MET N A 26 GLU O 1.0 . 3.5 210 210 A 14 MET H A 14 MET HBy 1.0 . 3.5 211 211 A 14 MET HGy A 14 MET H 1.0 . 5.0 212 212 A 14 MET H A 25 TYR CG 1.0 . 7.2 213 213 A 14 MET H A 25 TYR CZ 1.0 . 7.2 214 214 A 14 MET H A 26 GLU H 1.0 . 3.5 215 215 A 14 MET H A 27 TYR HA 1.0 . 5.0 216 216 A 14 MET HA A 15 LEU H 1.0 . 2.6 217 217 A 25 TYR CG A 14 MET HA 1.0 . 7.2 218 218 A 14 MET HBy A 15 LEU H 1.0 . 5.0 219 219 A 51 ARG H A 14 MET HBy 1.0 . 5.0 220 220 A 14 MET HGy A 15 LEU H 1.0 . 5.0 221 221 A 28 HIS HD2 A 14 MET HGy 1.0 . 5.0 222 222 A 14 MET HGy A 36 PHE CZ 1.0 . 7.2 223 223 A 39 LEU HDx% A 14 MET HGy 1.0 . 6.0 224 224 A 14 MET HGy A 47 ILE HD1% 1.0 . 6.0 225 225 A 14 MET HGy A 50 LEU HDx% 1.0 . 4.5 226 226 A 14 MET HGy A 50 LEU HDy% 1.0 . 4.5 227 227 A 14 MET HE% A 16 LEU HDx% 1.0 . 7.0 228 228 A 14 MET HE% A 16 LEU HDy% 1.0 . 5.5 229 229 A 28 HIS HD2 A 14 MET HE% 1.0 . 4.5 230 230 A 36 PHE CG A 14 MET HE% 1.0 . 8.2 231 231 A 14 MET HE% A 36 PHE CZ 1.0 . 8.2 232 232 A 14 MET HE% A 36 PHE HZ 1.0 . 6.0 233 233 A 39 LEU HDx% A 14 MET HE% 1.0 . 5.5 234 234 A 14 MET HE% A 40 TYR HA 1.0 . 6.0 235 235 A 14 MET HE% A 40 TYR CG 1.0 . 8.2 236 236 A 14 MET HE% A 40 TYR CZ 1.0 . 8.2 237 237 A 14 MET HE% A 43 THR HG2% 1.0 . 5.5 238 238 A 14 MET HE% A 47 ILE HD1% 1.0 . 7.0 239 239 A 14 MET HE% A 50 LEU HDx% 1.0 . 5.5 240 240 A 14 MET HE% A 51 ARG H 1.0 . 7.0 241 241 A 14 MET O A 26 GLU N 1.0 . 3.5 242 242 A 15 LEU H A 15 LEU HDx% 1.0 . 4.5 243 243 A 15 LEU H A 15 LEU HDy% 1.0 . 4.5 244 244 A 15 LEU H A 49 LYS H 1.0 . 3.5 245 245 A 15 LEU H A 50 LEU HA 1.0 . 5.0 246 246 A 15 LEU HDx% A 15 LEU HA 1.0 . 6.0 247 247 A 15 LEU HDy% A 15 LEU HA 1.0 . 3.6 248 248 A 15 LEU HA A 16 LEU H 1.0 . 2.6 249 249 A 15 LEU HA A 25 TYR HA 1.0 . 2.6 250 250 A 25 TYR CG A 15 LEU HA 1.0 . 7.2 251 251 A 25 TYR CZ A 15 LEU HA 1.0 . 7.2 252 252 A 15 LEU HDx% A 23 GLN HA 1.0 . 6.0 253 253 A 15 LEU HDx% A 23 GLN HBy 1.0 . 6.0 254 254 A 25 TYR CG A 15 LEU HDx% 1.0 . 8.2 255 255 A 25 TYR CZ A 15 LEU HDx% 1.0 . 8.2 256 256 A 15 LEU HDx% A 48 ILE H 1.0 . 6.0 257 257 A 15 LEU HDx% A 49 LYS H 1.0 . 6.0 258 258 A 15 LEU HDx% A 49 LYS HGy 1.0 . 4.5 259 259 A 15 LEU HDx% A 49 LYS HEy 1.0 . 6.0 260 260 A 15 LEU HDx% A 49 LYS HEx 1.0 . 6.0 261 261 A 15 LEU HDy% A 16 LEU H 1.0 . 4.5 262 262 A 15 LEU HDy% A 23 GLN HA 1.0 . 6.0 263 263 A 15 LEU HDy% A 23 GLN HBx 1.0 . 6.0 264 264 A 15 LEU HDy% A 24 TYR HA 1.0 . 6.0 265 265 A 15 LEU HDy% A 24 TYR CG 1.0 . 8.2 266 266 A 15 LEU HDy% A 25 TYR HA 1.0 . 6.0 267 267 A 25 TYR CG A 15 LEU HDy% 1.0 . 6.7 268 268 A 25 TYR CZ A 15 LEU HDy% 1.0 . 6.7 269 269 A 26 GLU H A 15 LEU HDy% 1.0 . 6.0 270 270 A 39 LEU HDx% A 15 LEU HDy% 1.0 . 8.0 271 271 A 15 LEU HDy% A 49 LYS HGy 1.0 . 4.5 272 272 A 15 LEU HDy% A 49 LYS HEx 1.0 . 6.0 273 273 A 16 LEU N A 24 TYR O 1.0 . 3.5 274 274 A 16 LEU HDx% A 16 LEU H 1.0 . 4.5 275 275 A 16 LEU HDx% A 16 LEU HA 1.0 . 4.5 276 276 A 16 LEU HDy% A 16 LEU HA 1.0 . 3.6 277 277 A 16 LEU HA A 17 GLN H 1.0 . 2.6 278 278 A 16 LEU HA A 47 ILE HA 1.0 . 5.0 279 279 A 16 LEU HDx% A 24 TYR CG 1.0 . 6.7 280 280 A 16 LEU HDx% A 43 THR H 1.0 . 6.0 281 281 A 16 LEU HDx% A 45 ASP HA 1.0 . 6.0 282 282 A 16 LEU HDx% A 45 ASP HBy 1.0 . 6.0 283 283 A 16 LEU HDx% A 45 ASP HBx 1.0 . 6.0 284 284 A 16 LEU HDx% A 48 ILE H 1.0 . 6.0 285 285 A 16 LEU HDx% A 49 LYS H 1.0 . 6.0 286 286 A 16 LEU HDy% A 17 GLN H 1.0 . 6.0 287 287 A 16 LEU HDy% A 24 TYR CG 1.0 . 8.2 288 288 A 16 LEU HDy% A 43 THR HA 1.0 . 6.0 289 289 A 16 LEU HDy% A 43 THR HB 1.0 . 6.0 290 290 A 16 LEU HDy% A 45 ASP HA 1.0 . 6.0 291 291 A 16 LEU HDy% A 45 ASP HBy 1.0 . 6.0 292 292 A 16 LEU HDy% A 45 ASP HBx 1.0 . 6.0 293 293 A 16 LEU HDy% A 47 ILE HA 1.0 . 4.5 294 294 A 16 LEU HDy% A 48 ILE H 1.0 . 4.5 295 295 A 16 LEU HDy% A 49 LYS H 1.0 . 6.0 296 296 A 16 LEU O A 24 TYR N 1.0 . 3.5 297 297 A 17 GLN H A 48 ILE HD1% 1.0 . 6.0 298 298 A 17 GLN HA A 18 ASP H 1.0 . 2.6 299 299 A 17 GLN HA A 21 GLY HAy 1.0 . 6.0 300 300 A 17 GLN HA A 22 LYS H 1.0 . 6.0 301 301 A 17 GLN HA A 23 GLN H 1.0 . 5.0 302 302 A 23 GLN HA A 17 GLN HA 1.0 . 2.6 303 303 A 17 GLN HA A 24 TYR H 1.0 . 3.5 304 304 A 24 TYR CG A 17 GLN HA 1.0 . 7.2 305 305 A 17 GLN HA A 24 TYR CZ 1.0 . 7.2 306 306 A 18 ASP H A 17 GLN HBy 1.0 . 5.0 307 307 A 17 GLN HBy A 21 GLY H 1.0 . 6.0 308 308 A 18 ASP H A 17 GLN HGy 1.0 . 5.0 309 309 A 21 GLY H A 17 GLN HGy 1.0 . 5.0 310 310 A 21 GLY HAy A 17 GLN HGy 1.0 . 5.0 311 311 A 21 GLY HAy A 17 GLN HGy 1.0 . 5.0 312 312 A 17 GLN HGy A 21 GLY HAx 1.0 . 5.0 313 313 A 22 LYS H A 17 GLN HGy 1.0 . 6.0 314 314 A 48 ILE HD1% A 17 GLN HGy 1.0 . 6.0 315 315 A 21 GLY H A 17 GLN HGx 1.0 . 6.0 316 316 A 22 LYS H A 17 GLN HGx 1.0 . 5.0 317 317 A 21 GLY HAy A 17 GLN HE21 1.0 . 5.0 318 318 A 21 GLY HAx A 17 GLN HE21 1.0 . 5.0 319 319 A 21 GLY HAy A 17 GLN HE22 1.0 . 5.0 320 320 A 21 GLY HAx A 17 GLN HE22 1.0 . 5.0 321 321 A 48 ILE HD1% A 17 GLN HE22 1.0 . 6.0 322 322 A 18 ASP H A 18 ASP HBy 1.0 . 5.0 323 323 A 18 ASP H A 18 ASP HBx 1.0 . 3.5 324 324 A 18 ASP H A 21 GLY H 1.0 . 6.0 325 325 A 18 ASP H A 22 LYS H 1.0 . 3.5 326 326 A 23 GLN HA A 18 ASP H 1.0 . 3.5 327 327 A 24 TYR CG A 18 ASP H 1.0 . 7.2 328 328 A 18 ASP H A 24 TYR CZ 1.0 . 7.2 329 329 A 18 ASP HA A 19 ASP H 1.0 . 2.6 330 330 A 24 TYR CG A 18 ASP HA 1.0 . 7.2 331 331 A 18 ASP HBy A 19 ASP H 1.0 . 2.6 332 332 A 18 ASP HBy A 20 ASP H 1.0 . 5.0 333 333 A 24 TYR CG A 18 ASP HBy 1.0 . 7.2 334 334 A 24 TYR CZ A 18 ASP HBy 1.0 . 5.7 335 335 A 24 TYR CG A 18 ASP HBx 1.0 . 7.2 336 336 A 24 TYR CZ A 18 ASP HBx 1.0 . 5.7 337 337 A 19 ASP H A 19 ASP HBx 1.0 . 3.5 338 338 A 19 ASP H A 20 ASP H 1.0 . 3.5 339 339 A 21 GLY H A 19 ASP H 1.0 . 6.0 340 340 A 20 ASP H A 19 ASP HA 1.0 . 5.0 341 341 A 21 GLY H A 19 ASP HA 1.0 . 5.0 342 342 A 20 ASP H A 20 ASP HBy 1.0 . 3.5 343 343 A 21 GLY HAy A 20 ASP H 1.0 . 5.0 344 344 A 21 GLY HAx A 20 ASP H 1.0 . 5.0 345 345 A 22 LYS H A 20 ASP H 1.0 . 5.0 346 346 A 21 GLY H A 20 ASP HA 1.0 . 3.5 347 347 A 22 LYS H A 20 ASP HA 1.0 . 5.0 348 348 A 21 GLY H A 20 ASP HBy 1.0 . 5.0 349 349 A 22 LYS H A 20 ASP HBy 1.0 . 5.0 350 350 A 22 LYS H A 20 ASP HBx 1.0 . 5.0 351 351 A 22 LYS H A 21 GLY H 1.0 . 3.5 352 352 A 22 LYS H A 21 GLY HAx 1.0 . 3.5 353 353 A 22 LYS H A 22 LYS HBy 1.0 . 3.5 354 354 A 22 LYS H A 22 LYS HBx 1.0 . 5.0 355 355 A 22 LYS H A 22 LYS HGy 1.0 . 3.5 356 356 A 22 LYS H A 22 LYS HGx 1.0 . 5.0 357 357 A 22 LYS H A 24 TYR HBy 1.0 . 6.0 358 358 A 23 GLN HBy A 23 GLN H 1.0 . 3.5 359 359 A 23 GLN H A 23 GLN HGy 1.0 . 5.0 360 360 A 23 GLN H A 23 GLN HGx 1.0 . 5.0 361 361 A 23 GLN HA A 24 TYR H 1.0 . 2.6 362 362 A 48 ILE HD1% A 23 GLN HGy 1.0 . 6.0 363 363 A 23 GLN HE21 A 48 ILE HB 1.0 . 5.0 364 364 A 23 GLN HE21 A 48 ILE HG2% 1.0 . 6.0 365 365 A 23 GLN HE21 A 48 ILE HG1y 1.0 . 5.0 366 366 A 23 GLN HE21 A 48 ILE HG1x 1.0 . 5.0 367 367 A 48 ILE HD1% A 23 GLN HE21 1.0 . 6.0 368 368 A 48 ILE HD1% A 23 GLN HE22 1.0 . 6.0 369 369 A 24 TYR H A 24 TYR HBy 1.0 . 5.0 370 370 A 24 TYR HA A 25 TYR H 1.0 . 2.6 371 371 A 24 TYR CG A 26 GLU HBy 1.0 . 7.2 372 372 A 24 TYR CG A 26 GLU HBx 1.0 . 7.2 373 373 A 24 TYR CG A 26 GLU HGy 1.0 . 7.2 374 374 A 24 TYR CG A 26 GLU HGx 1.0 . 7.2 375 375 A 25 TYR HBy A 25 TYR H 1.0 . 5.0 376 376 A 25 TYR HBx A 25 TYR H 1.0 . 5.0 377 377 A 26 GLU H A 25 TYR HA 1.0 . 2.6 378 378 A 25 TYR HBy A 26 GLU H 1.0 . 5.0 379 379 A 25 TYR HBx A 26 GLU H 1.0 . 5.0 380 380 A 27 TYR CG A 25 TYR HBx 1.0 . 7.2 381 381 A 27 TYR CG A 25 TYR CG 1.0 . 7.9 382 382 A 27 TYR CG A 25 TYR CG 1.0 . 7.9 383 383 A 26 GLU H A 26 GLU HBy 1.0 . 3.5 384 384 A 26 GLU HBy A 27 TYR H 1.0 . 5.0 385 385 A 28 HIS HD2 A 26 GLU HBx 1.0 . 5.0 386 386 A 28 HIS HD2 A 26 GLU HGx 1.0 . 5.0 387 387 A 28 HIS H A 27 TYR HA 1.0 . 2.6 388 388 A 28 HIS HD2 A 27 TYR HA 1.0 . 5.0 389 389 A 28 HIS H A 28 HIS HBy 1.0 . 5.0 390 390 A 28 HIS HA A 29 LYS H 1.0 . 2.6 391 391 A 28 HIS HBy A 29 LYS H 1.0 . 5.0 392 392 A 39 LEU HDx% A 28 HIS HBy 1.0 . 7.0 393 393 A 28 HIS HBx A 29 LYS H 1.0 . 5.0 394 394 A 39 LEU HDx% A 28 HIS HBx 1.0 . 7.0 395 395 A 28 HIS HD2 A 36 PHE CG 1.0 . 7.2 396 396 A 39 LEU HDx% A 28 HIS HD2 1.0 . 6.0 397 397 A 39 LEU HDx% A 28 HIS HE1 1.0 . 6.0 398 398 A 29 LYS HGy A 29 LYS H 1.0 . 5.0 399 399 A 29 LYS HGx A 29 LYS H 1.0 . 5.0 400 400 A 31 LEU HDx% A 29 LYS H 1.0 . 7.2 401 401 A 31 LEU HDx% A 29 LYS H 1.0 . 6.0 402 402 A 29 LYS HA A 30 GLY H 1.0 . 2.6 403 403 A 31 LEU H A 29 LYS HA 1.0 . 5.0 404 404 A 29 LYS HBy A 30 GLY H 1.0 . 5.0 405 405 A 29 LYS HBx A 30 GLY H 1.0 . 5.0 406 406 A 29 LYS HGy A 30 GLY H 1.0 . 5.0 407 407 A 31 LEU H A 30 GLY H 1.0 . 3.5 408 408 A 30 GLY HAy A 31 LEU H 1.0 . 5.0 409 409 A 30 GLY HAx A 31 LEU H 1.0 . 3.5 410 410 A 31 LEU H A 31 LEU HBy 1.0 . 5.0 411 411 A 31 LEU H A 31 LEU HBx 1.0 . 3.5 412 412 A 31 LEU H A 31 LEU HG 1.0 . 3.5 413 413 A 31 LEU H A 31 LEU HDx% 1.0 . 6.0 414 414 A 31 LEU H A 31 LEU HDy% 1.0 . 6.0 415 415 A 31 LEU H A 32 SER H 1.0 . 5.0 416 416 A 31 LEU H A 35 ASP HBx 1.0 . 6.0 417 417 A 31 LEU HG A 31 LEU HA 1.0 . 5.0 418 418 A 31 LEU HDx% A 31 LEU HA 1.0 . 3.6 419 419 A 31 LEU HBy A 32 SER H 1.0 . 5.0 420 420 A 31 LEU HBy A 35 ASP HBy 1.0 . 3.5 421 421 A 31 LEU HBy A 35 ASP HBx 1.0 . 3.5 422 422 A 31 LEU HBx A 32 SER H 1.0 . 5.0 423 423 A 31 LEU HBx A 35 ASP HBy 1.0 . 5.0 424 424 A 31 LEU HBx A 35 ASP HBx 1.0 . 5.0 425 425 A 31 LEU HG A 35 ASP HBy 1.0 . 5.0 426 426 A 31 LEU HG A 35 ASP HBx 1.0 . 5.0 427 427 A 31 LEU HDx% A 32 SER H 1.0 . 6.0 428 428 A 31 LEU HDx% A 35 ASP HBy 1.0 . 6.0 429 429 A 31 LEU HDx% A 35 ASP HBx 1.0 . 6.0 430 430 A 31 LEU HDx% A 36 PHE CG 1.0 . 8.2 431 431 A 31 LEU HDy% A 35 ASP HBy 1.0 . 6.0 432 432 A 31 LEU HDy% A 35 ASP HBx 1.0 . 6.0 433 433 A 31 LEU HDy% A 36 PHE CG 1.0 . 8.2 434 434 A 32 SER HBy A 32 SER H 1.0 . 5.0 435 435 A 32 SER HBx A 32 SER H 1.0 . 5.0 436 436 A 32 SER H A 33 LEU H 1.0 . 5.0 437 437 A 32 SER H A 35 ASP H 1.0 . 5.0 438 438 A 32 SER H A 35 ASP HBy 1.0 . 3.5 439 439 A 32 SER H A 35 ASP HBx 1.0 . 3.5 440 440 A 32 SER HA A 33 LEU H 1.0 . 3.5 441 441 A 32 SER HA A 34 SER H 1.0 . 5.0 442 442 A 32 SER HA A 35 ASP H 1.0 . 5.0 443 443 A 32 SER HBy A 33 LEU H 1.0 . 3.5 444 444 A 32 SER HBy A 34 SER H 1.0 . 5.0 445 445 A 33 LEU H A 33 LEU HDx% 1.0 . 6.0 446 446 A 33 LEU H A 34 SER H 1.0 . 3.5 447 447 A 33 LEU HDy% A 33 LEU HA 1.0 . 3.6 448 448 A 52 LEU HDx% A 33 LEU HA 1.0 . 6.0 449 449 A 52 LEU HDy% A 33 LEU HA 1.0 . 6.0 450 450 A 33 LEU HBx B 40 TYR CG 1.0 . 7.2 451 451 A 33 LEU HBx B 40 TYR CZ 1.0 . 7.2 452 452 B 47 ILE HD11 A 33 LEU HG 1.0 . 6.0 453 453 A 34 SER H A 33 LEU HDx% 1.0 . 6.0 454 454 A 36 PHE CG A 33 LEU HDx% 1.0 . 6.7 455 455 A 33 LEU HDx% B 40 TYR CG 1.0 . 8.2 456 456 A 33 LEU HDx% B 40 TYR CZ 1.0 . 6.7 457 457 A 33 LEU HDy% A 34 SER H 1.0 . 6.0 458 458 A 33 LEU HDy% A 36 PHE HBy 1.0 . 6.0 459 459 A 33 LEU HDy% A 36 PHE CG 1.0 . 6.7 460 460 A 33 LEU HDy% A 52 LEU HDx% 1.0 . 5.5 461 461 A 33 LEU HDy% A 52 LEU HDy% 1.0 . 5.5 462 462 A 33 LEU HDy% B 40 TYR HBx 1.0 . 6.0 463 463 A 33 LEU HDy% B 40 TYR CG 1.0 . 8.2 464 464 A 33 LEU HDy% B 40 TYR CZ 1.0 . 6.7 465 465 A 33 LEU HDy% B 47 ILE HD11 1.0 . 7.0 466 466 A 34 SER H A 34 SER HBy 1.0 . 3.5 467 467 A 34 SER H A 34 SER HBx 1.0 . 2.6 468 468 A 35 ASP H A 34 SER H 1.0 . 3.5 469 469 A 34 SER H A 36 PHE H 1.0 . 5.0 470 470 A 35 ASP H A 34 SER HA 1.0 . 5.0 471 471 A 36 PHE CG A 34 SER HA 1.0 . 7.2 472 472 A 34 SER HA A 37 GLU H 1.0 . 3.5 473 473 A 34 SER HA A 37 GLU HBy 1.0 . 3.5 474 474 A 34 SER HA A 37 GLU HBx 1.0 . 5.0 475 475 A 34 SER HA A 37 GLU HGy 1.0 . 5.0 476 476 A 34 SER HA A 37 GLU HGx 1.0 . 3.5 477 477 A 34 SER HA A 38 VAL H 1.0 . 5.0 478 478 A 35 ASP H A 34 SER HBy 1.0 . 5.0 479 479 A 35 ASP H A 34 SER HBx 1.0 . 3.5 480 480 A 35 ASP HBy A 35 ASP H 1.0 . 3.5 481 481 A 35 ASP HBx A 35 ASP H 1.0 . 5.0 482 482 A 35 ASP H A 36 PHE H 1.0 . 3.5 483 483 A 35 ASP H A 38 VAL HB 1.0 . 6.0 484 484 A 35 ASP H A 38 VAL HGx% 1.0 . 7.0 485 485 A 35 ASP H A 38 VAL HGy% 1.0 . 6.0 486 486 A 38 VAL H A 35 ASP HA 1.0 . 3.5 487 487 A 38 VAL HB A 35 ASP HA 1.0 . 3.5 488 488 A 38 VAL HGx% A 35 ASP HA 1.0 . 4.5 489 489 A 38 VAL HGy% A 35 ASP HA 1.0 . 4.5 490 490 A 35 ASP HA A 39 LEU H 1.0 . 5.0 491 491 A 35 ASP HBy A 36 PHE H 1.0 . 5.0 492 492 A 36 PHE HBy A 36 PHE H 1.0 . 3.5 493 493 A 36 PHE H A 36 PHE HBx 1.0 . 5.0 494 494 A 36 PHE H A 37 GLU H 1.0 . 3.5 495 495 A 39 LEU H A 36 PHE HA 1.0 . 3.5 496 496 A 36 PHE HA A 39 LEU HBy 1.0 . 3.5 497 497 A 36 PHE HA A 39 LEU HBx 1.0 . 5.0 498 498 A 39 LEU HDx% A 36 PHE HA 1.0 . 6.0 499 499 A 36 PHE HA A 40 TYR H 1.0 . 5.0 500 500 A 36 PHE HBy A 37 GLU H 1.0 . 3.5 501 501 A 52 LEU HDx% A 36 PHE HBy 1.0 . 6.0 502 502 A 52 LEU HDy% A 36 PHE HBy 1.0 . 6.0 503 503 A 37 GLU H A 36 PHE HBx 1.0 . 5.0 504 504 A 52 LEU HDx% A 36 PHE HBx 1.0 . 6.0 505 505 A 36 PHE CG A 37 GLU HBx 1.0 . 7.2 506 506 A 36 PHE CG A 37 GLU HGy 1.0 . 5.7 507 507 A 36 PHE CG A 39 LEU HBy 1.0 . 7.2 508 508 A 36 PHE CG A 39 LEU HBx 1.0 . 7.2 509 509 A 39 LEU HDx% A 36 PHE CG 1.0 . 8.2 510 510 A 36 PHE CG A 40 TYR HA 1.0 . 7.2 511 511 A 36 PHE CG A 40 TYR HBy 1.0 . 7.2 512 512 A 36 PHE CG A 40 TYR HBx 1.0 . 7.2 513 513 A 36 PHE CG A 40 TYR CG 1.0 . 9.4 514 514 A 52 LEU HDx% A 36 PHE CG 1.0 . 6.7 515 515 A 52 LEU HDy% A 36 PHE CG 1.0 . 8.2 516 516 A 39 LEU HDx% A 36 PHE CZ 1.0 . 8.2 517 517 A 36 PHE CZ A 40 TYR HA 1.0 . 7.2 518 518 A 36 PHE CZ A 40 TYR HBy 1.0 . 7.2 519 519 A 36 PHE CZ A 40 TYR HBx 1.0 . 7.2 520 520 A 36 PHE CZ A 50 LEU HBy 1.0 . 7.2 521 521 A 36 PHE CZ B 50 LEU HD11 1.0 . 6.7 522 522 A 36 PHE CZ B 50 LEU HD21 1.0 . 6.7 523 523 A 36 PHE HZ A 40 TYR HBy 1.0 . 5.0 524 524 A 36 PHE HZ A 40 TYR HBx 1.0 . 5.0 525 525 A 36 PHE HZ A 50 LEU HBy 1.0 . 5.0 526 526 A 36 PHE HZ B 50 LEU HD11 1.0 . 4.5 527 527 A 36 PHE HZ B 50 LEU HD21 1.0 . 4.5 528 528 A 37 GLU H A 37 GLU HBy 1.0 . 3.5 529 529 A 37 GLU H A 37 GLU HBx 1.0 . 3.5 530 530 A 37 GLU H A 37 GLU HGy 1.0 . 3.5 531 531 A 37 GLU H A 37 GLU HGx 1.0 . 5.0 532 532 A 37 GLU H A 38 VAL H 1.0 . 3.5 533 533 A 37 GLU H A 39 LEU H 1.0 . 5.0 534 534 A 38 VAL H A 37 GLU HA 1.0 . 5.0 535 535 A 39 LEU H A 37 GLU HA 1.0 . 5.0 536 536 A 40 TYR H A 37 GLU HA 1.0 . 5.0 537 537 A 40 TYR CG A 37 GLU HA 1.0 . 5.7 538 538 A 40 TYR CZ A 37 GLU HA 1.0 . 7.2 539 539 A 37 GLU HA A 41 GLY H 1.0 . 5.0 540 540 A 37 GLU HBy A 38 VAL H 1.0 . 3.5 541 541 A 40 TYR CG A 37 GLU HBx 1.0 . 7.2 542 542 A 40 TYR CZ A 37 GLU HBx 1.0 . 7.2 543 543 A 40 TYR CG A 37 GLU HGy 1.0 . 7.2 544 544 B 40 TYR CZ A 37 GLU HGy 1.0 . 5.7 545 545 B 40 TYR CZ A 37 GLU HGx 1.0 . 5.7 546 546 A 38 VAL H A 38 VAL HB 1.0 . 3.5 547 547 A 38 VAL H A 38 VAL HGx% 1.0 . 3.6 548 548 A 38 VAL H A 38 VAL HGy% 1.0 . 5.0 549 549 A 38 VAL H A 39 LEU H 1.0 . 3.5 550 550 A 38 VAL H A 40 TYR H 1.0 . 5.0 551 551 A 38 VAL HGx% A 38 VAL HA 1.0 . 3.6 552 552 A 38 VAL HGy% A 38 VAL HA 1.0 . 4.5 553 553 A 39 LEU H A 38 VAL HA 1.0 . 5.0 554 554 A 41 GLY H A 38 VAL HA 1.0 . 5.0 555 555 A 38 VAL HA A 42 ASN H 1.0 . 5.0 556 556 A 38 VAL HB A 39 LEU H 1.0 . 3.5 557 557 A 38 VAL HGx% A 39 LEU H 1.0 . 6.0 558 558 A 38 VAL HGy% A 39 LEU H 1.0 . 3.5 559 559 A 39 LEU H A 39 LEU HBy 1.0 . 3.5 560 560 A 39 LEU H A 39 LEU HBx 1.0 . 2.6 561 561 A 39 LEU H A 39 LEU HG 1.0 . 5.0 562 562 A 39 LEU HDx% A 39 LEU H 1.0 . 4.5 563 563 A 39 LEU H A 40 TYR H 1.0 . 3.5 564 564 A 42 ASN H A 39 LEU HA 1.0 . 5.0 565 565 A 39 LEU HA A 42 ASN HBy 1.0 . 5.0 566 566 A 39 LEU HA A 42 ASN HBx 1.0 . 3.5 567 567 A 39 LEU HBy A 40 TYR H 1.0 . 3.5 568 568 A 39 LEU HDx% A 40 TYR H 1.0 . 6.0 569 569 A 40 TYR H A 40 TYR HBy 1.0 . 3.5 570 570 A 40 TYR H A 40 TYR HBx 1.0 . 3.5 571 571 A 40 TYR H A 41 GLY H 1.0 . 3.5 572 572 A 40 TYR HA A 43 THR H 1.0 . 5.0 573 573 A 40 TYR HA A 43 THR HG2% 1.0 . 6.0 574 574 A 40 TYR HBy A 41 GLY H 1.0 . 3.5 575 575 A 40 TYR HBy B 33 LEU HD21 1.0 . 6.0 576 576 A 40 TYR HBx A 41 GLY H 1.0 . 5.0 577 577 A 40 TYR CG A 44 ALA HB% 1.0 . 8.2 578 578 A 50 LEU HDx% A 40 TYR CG 1.0 . 6.7 579 579 A 50 LEU HDy% A 40 TYR CG 1.0 . 8.2 580 580 A 40 TYR CG B 33 LEU HBx 1.0 . 7.2 581 581 A 40 TYR CG B 33 LEU HD11 1.0 . 8.2 582 582 A 40 TYR CG B 33 LEU HD21 1.0 . 8.2 583 583 A 40 TYR CG B 52 LEU HD11 1.0 . 8.2 584 584 A 40 TYR CG B 52 LEU HD21 1.0 . 8.2 585 585 A 40 TYR CZ A 44 ALA HB% 1.0 . 8.2 586 586 A 47 ILE HD1% A 40 TYR CZ 1.0 . 8.2 587 587 A 50 LEU HDx% A 40 TYR CZ 1.0 . 8.2 588 588 A 40 TYR CZ B 33 LEU HBx 1.0 . 7.2 589 589 A 40 TYR CZ B 33 LEU HD11 1.0 . 6.7 590 590 A 40 TYR CZ B 33 LEU HD21 1.0 . 6.7 591 591 A 40 TYR CZ B 37 GLU HGx 1.0 . 5.7 592 592 A 40 TYR CZ B 37 GLU HGy 1.0 . 5.7 593 593 A 40 TYR CZ B 52 LEU HD11 1.0 . 8.2 594 594 A 40 TYR CZ B 52 LEU HD21 1.0 . 8.2 595 595 A 41 GLY H A 42 ASN H 1.0 . 3.5 596 596 A 42 ASN H A 41 GLY HAy 1.0 . 5.0 597 597 A 43 THR H A 41 GLY HAy 1.0 . 5.0 598 598 A 42 ASN H A 41 GLY HAx 1.0 . 5.0 599 599 A 43 THR H A 41 GLY HAx 1.0 . 5.0 600 600 A 42 ASN H A 42 ASN HBy 1.0 . 3.5 601 601 A 42 ASN H A 42 ASN HBx 1.0 . 2.6 602 602 A 43 THR HA A 42 ASN H 1.0 . 5.0 603 603 A 43 THR H A 42 ASN HA 1.0 . 5.0 604 604 A 43 THR H A 42 ASN HBy 1.0 . 5.0 605 605 A 43 THR H A 42 ASN HBx 1.0 . 5.0 606 606 A 43 THR HG2% A 43 THR H 1.0 . 4.5 607 607 A 43 THR H A 44 ALA H 1.0 . 5.0 608 608 A 43 THR HB A 44 ALA H 1.0 . 3.5 609 609 A 43 THR HB A 44 ALA HB% 1.0 . 6.0 610 610 A 43 THR HB A 45 ASP H 1.0 . 5.0 611 611 A 43 THR HG2% A 44 ALA H 1.0 . 6.0 612 612 A 43 THR HG2% A 45 ASP H 1.0 . 6.0 613 613 A 44 ALA HB% A 44 ALA H 1.0 . 4.5 614 614 A 44 ALA H A 45 ASP H 1.0 . 5.0 615 615 A 44 ALA HB% A 45 ASP H 1.0 . 6.0 616 616 A 45 ASP HBx A 45 ASP H 1.0 . 5.0 617 617 A 45 ASP HA A 46 GLU H 1.0 . 3.5 618 618 A 45 ASP HBy A 46 GLU H 1.0 . 3.5 619 619 A 45 ASP HBx A 46 GLU H 1.0 . 5.0 620 620 A 48 ILE HD1% A 46 GLU HGy 1.0 . 6.0 621 621 A 47 ILE HD1% A 47 ILE HA 1.0 . 4.5 622 622 A 48 ILE H A 47 ILE HA 1.0 . 2.6 623 623 A 49 LYS H A 47 ILE HG2% 1.0 . 6.0 624 624 A 47 ILE HG2% B 10 TYR CG 1.0 . 8.2 625 625 A 47 ILE HG2% B 10 TYR CZ 1.0 . 5.8 626 626 B 52 LEU HD21 A 47 ILE HG2% 1.0 . 7.0 627 627 A 47 ILE HD1% A 48 ILE H 1.0 . 3.5 628 628 A 47 ILE HD1% A 50 LEU H 1.0 . 6.0 629 629 A 47 ILE HD1% A 50 LEU HG 1.0 . 6.0 630 630 A 47 ILE HD1% A 50 LEU HDx% 1.0 . 7.0 631 631 A 47 ILE HD1% B 10 TYR CZ 1.0 . 6.7 632 632 A 47 ILE HD1% B 33 LEU HG 1.0 . 6.0 633 633 A 47 ILE HD1% B 33 LEU HD21 1.0 . 7.0 634 634 A 47 ILE HD1% B 52 LEU HD21 1.0 . 7.0 635 635 A 48 ILE H A 48 ILE HB 1.0 . 3.5 636 636 A 48 ILE H A 48 ILE HD1% 1.0 . 6.0 637 637 A 49 LYS H A 48 ILE H 1.0 . 2.6 638 638 A 48 ILE H B 54 LYS H 1.0 . 5.0 639 639 A 48 ILE HD1% A 48 ILE HA 1.0 . 3.6 640 640 B 10 TYR CZ A 48 ILE HA 1.0 . 7.2 641 641 A 49 LYS H A 48 ILE HB 1.0 . 3.5 642 642 A 48 ILE HG2% B 53 ASP HA 1.0 . 6.0 643 643 A 48 ILE HG2% B 54 LYS HA 1.0 . 6.0 644 644 A 49 LYS H A 48 ILE HG1y 1.0 . 5.0 645 645 A 49 LYS H A 48 ILE HG1x 1.0 . 5.0 646 646 A 49 LYS H A 48 ILE HD1% 1.0 . 6.0 647 647 A 48 ILE HD1% B 52 LEU HD11 1.0 . 7.0 648 648 A 48 ILE HD1% B 54 LYS HA 1.0 . 6.0 649 649 A 48 ILE HD1% B 54 LYS HGx 1.0 . 6.0 650 650 A 48 ILE HD1% B 54 LYS HDx 1.0 . 6.0 651 651 A 48 ILE HD1% B 54 LYS HDy 1.0 . 6.0 652 652 A 48 ILE HD1% B 54 LYS HEx 1.0 . 6.0 653 653 A 48 ILE HD1% B 54 LYS HEy 1.0 . 6.0 654 654 A 49 LYS H B 52 LEU HD11 1.0 . 6.0 655 655 A 50 LEU H A 49 LYS HA 1.0 . 2.6 656 656 B 53 ASP HA A 49 LYS HA 1.0 . 2.6 657 657 B 54 LYS H A 49 LYS HA 1.0 . 5.0 658 658 B 53 ASP HA A 49 LYS HBy 1.0 . 5.0 659 659 A 49 LYS HGy B 53 ASP HA 1.0 . 5.0 660 660 B 53 ASP HA A 49 LYS HGx 1.0 . 5.0 661 661 B 53 ASP HA A 49 LYS HDy 1.0 . 5.0 662 662 A 50 LEU N B 52 LEU O 1.0 . 3.5 663 663 A 50 LEU HDx% A 50 LEU H 1.0 . 6.0 664 664 A 50 LEU HDy% A 50 LEU H 1.0 . 6.0 665 665 A 50 LEU H B 52 LEU H 1.0 . 5.0 666 666 A 50 LEU H B 52 LEU HBx 1.0 . 5.0 667 667 B 52 LEU HD11 A 50 LEU H 1.0 . 6.0 668 668 B 52 LEU HD21 A 50 LEU H 1.0 . 6.0 669 669 A 50 LEU H B 53 ASP HA 1.0 . 5.0 670 670 A 51 ARG H A 50 LEU HA 1.0 . 2.6 671 671 B 52 LEU HD11 A 50 LEU HG 1.0 . 6.0 672 672 A 51 ARG H A 50 LEU HDx% 1.0 . 6.0 673 673 A 50 LEU HDx% B 36 PHE CZ 1.0 . 6.7 674 674 A 50 LEU HDx% B 36 PHE HZ 1.0 . 4.5 675 675 A 50 LEU HDx% B 52 LEU HD11 1.0 . 5.5 676 676 A 50 LEU HDx% B 52 LEU HD21 1.0 . 5.5 677 677 A 51 ARG H A 50 LEU HDy% 1.0 . 6.0 678 678 A 50 LEU HDy% B 36 PHE CZ 1.0 . 6.7 679 679 A 50 LEU HDy% B 36 PHE HZ 1.0 . 4.5 680 680 A 50 LEU HDy% B 52 LEU HD11 1.0 . 5.5 681 681 A 50 LEU HDy% B 52 LEU HD21 1.0 . 5.5 682 682 A 50 LEU O B 52 LEU N 1.0 . 3.5 683 683 A 51 ARG H A 51 ARG HBy 1.0 . 5.0 684 684 A 51 ARG H A 51 ARG HBx 1.0 . 5.0 685 685 A 51 ARG H A 51 ARG HGy 1.0 . 5.0 686 686 A 51 ARG H A 51 ARG HGx 1.0 . 5.0 687 687 A 51 ARG H A 51 ARG HDy 1.0 . 5.0 688 688 A 51 ARG HA A 52 LEU H 1.0 . 2.6 689 689 A 51 ARG HBy A 52 LEU H 1.0 . 5.0 690 690 A 51 ARG HBx A 52 LEU H 1.0 . 5.0 691 691 A 51 ARG HDy B 13 THR HG21 1.0 . 6.0 692 692 A 52 LEU N B 50 LEU O 1.0 . 3.5 693 693 A 52 LEU H A 52 LEU HBy 1.0 . 5.0 694 694 A 52 LEU HBx A 52 LEU H 1.0 . 5.0 695 695 A 52 LEU HDx% A 52 LEU H 1.0 . 6.0 696 696 A 52 LEU H B 50 LEU H 1.0 . 5.0 697 697 A 52 LEU HDx% A 52 LEU HA 1.0 . 4.5 698 698 A 52 LEU HA A 53 ASP H 1.0 . 2.6 699 699 A 53 ASP H A 52 LEU HBy 1.0 . 5.0 700 700 A 52 LEU HBy B 50 LEU H 1.0 . 5.0 701 701 A 52 LEU HBx A 53 ASP H 1.0 . 5.0 702 702 A 52 LEU HG A 53 ASP H 1.0 . 5.0 703 703 A 52 LEU HDx% A 53 ASP H 1.0 . 5.0 704 704 A 52 LEU HDx% B 40 TYR CG 1.0 . 8.2 705 705 A 52 LEU HDx% B 40 TYR CZ 1.0 . 8.2 706 706 A 52 LEU HDx% B 48 ILE HD11 1.0 . 7.0 707 707 A 52 LEU HDx% B 49 LYS H 1.0 . 6.0 708 708 A 52 LEU HDx% B 50 LEU H 1.0 . 6.0 709 709 A 52 LEU HDx% B 50 LEU HG 1.0 . 6.0 710 710 A 52 LEU HDx% B 50 LEU HD11 1.0 . 5.5 711 711 A 52 LEU HDx% B 50 LEU HD21 1.0 . 5.5 712 712 A 52 LEU HDy% B 40 TYR CG 1.0 . 8.2 713 713 A 52 LEU HDy% B 40 TYR CZ 1.0 . 8.2 714 714 A 52 LEU HDy% B 47 ILE HG21 1.0 . 7.0 715 715 A 52 LEU HDy% B 47 ILE HD11 1.0 . 7.0 716 716 A 52 LEU HDy% B 50 LEU H 1.0 . 6.0 717 717 A 52 LEU HDy% B 50 LEU HD11 1.0 . 5.5 718 718 A 52 LEU HDy% B 50 LEU HD21 1.0 . 5.5 719 719 A 52 LEU O B 50 LEU N 1.0 . 3.5 720 720 A 53 ASP H A 53 ASP HBy 1.0 . 3.5 721 721 A 53 ASP HA A 54 LYS H 1.0 . 2.6 722 722 A 53 ASP HA B 48 ILE HG21 1.0 . 6.0 723 723 A 53 ASP HA B 49 LYS HA 1.0 . 2.6 724 724 A 53 ASP HA B 49 LYS HBx 1.0 . 5.0 725 725 A 53 ASP HA B 49 LYS HGx 1.0 . 5.0 726 726 A 53 ASP HA B 49 LYS HGy 1.0 . 5.0 727 727 A 53 ASP HA B 49 LYS HDx 1.0 . 5.0 728 728 B 50 LEU H A 53 ASP HA 1.0 . 5.0 729 729 A 54 LYS HBy A 54 LYS H 1.0 . 5.0 730 730 A 54 LYS HBx A 54 LYS H 1.0 . 3.5 731 731 A 54 LYS H B 48 ILE H 1.0 . 5.0 732 732 A 54 LYS H B 49 LYS HA 1.0 . 5.0 733 733 A 54 LYS HA A 55 VAL H 1.0 . 2.6 734 734 A 54 LYS HA A 56 LEU H 1.0 . 6.0 735 735 A 54 LYS HA B 48 ILE HG21 1.0 . 6.0 736 736 A 54 LYS HA B 48 ILE HD11 1.0 . 6.0 737 737 B 48 ILE HD11 A 54 LYS HGy 1.0 . 6.0 738 738 B 48 ILE HD11 A 54 LYS HDy 1.0 . 6.0 739 739 B 48 ILE HD11 A 54 LYS HDx 1.0 . 6.0 740 740 B 48 ILE HD11 A 54 LYS HEy 1.0 . 6.0 741 741 B 48 ILE HD11 A 54 LYS HEx 1.0 . 6.0 742 742 A 55 VAL HGx% A 55 VAL H 1.0 . 4.5 743 743 A 56 LEU H A 55 VAL HA 1.0 . 2.6 744 744 A 55 VAL HB A 56 LEU H 1.0 . 3.5 745 745 A 56 LEU H A 56 LEU HDy% 1.0 . 6.0 746 746 B 2 VAL H B 2 VAL HG11 1.0 . 6.0 747 747 B 2 VAL HG11 B 4 ASN H 1.0 . 6.0 748 748 B 3 GLN H B 3 GLN HBx 1.0 . 3.5 749 749 B 3 GLN H B 3 GLN HBy 1.0 . 3.5 750 750 B 3 GLN H B 3 GLN HGx 1.0 . 5.0 751 751 B 4 ASN H B 3 GLN HA 1.0 . 2.6 752 752 B 3 GLN HA B 5 ASP H 1.0 . 6.0 753 753 B 3 GLN HA B 6 PHE CG 1.0 . 7.2 754 754 B 4 ASN H B 4 ASN HBx 1.0 . 3.5 755 755 B 4 ASN H B 4 ASN HBy 1.0 . 5.0 756 756 B 5 ASP H B 5 ASP HBx 1.0 . 3.5 757 757 B 5 ASP H B 5 ASP HBy 1.0 . 3.5 758 758 B 5 ASP H B 6 PHE H 1.0 . 5.0 759 759 B 5 ASP H B 7 VAL HA 1.0 . 5.0 760 760 B 5 ASP H B 7 VAL HB 1.0 . 5.0 761 761 B 5 ASP H B 7 VAL HG11 1.0 . 6.0 762 762 B 6 PHE H B 5 ASP HA 1.0 . 3.5 763 763 B 5 ASP HBx B 6 PHE H 1.0 . 5.0 764 764 B 5 ASP HBy B 6 PHE H 1.0 . 5.0 765 765 B 6 PHE H B 6 PHE HBx 1.0 . 5.0 766 766 B 6 PHE H B 6 PHE HBy 1.0 . 3.5 767 767 B 6 PHE H B 7 VAL HG11 1.0 . 6.0 768 768 B 6 PHE HBx B 7 VAL H 1.0 . 5.0 769 769 B 6 PHE HBy B 7 VAL H 1.0 . 5.0 770 770 B 13 THR HG21 B 6 PHE CG 1.0 . 8.2 771 771 B 13 THR HG21 B 6 PHE CZ 1.0 . 8.2 772 772 B 13 THR HG21 B 6 PHE HZ 1.0 . 6.0 773 773 B 7 VAL HB B 7 VAL H 1.0 . 2.6 774 774 B 7 VAL HG11 B 7 VAL H 1.0 . 6.0 775 775 B 7 VAL H B 7 VAL HG21 1.0 . 3.6 776 776 B 7 VAL HA B 8 ASP H 1.0 . 2.6 777 777 B 7 VAL HB B 8 ASP H 1.0 . 5.0 778 778 B 7 VAL HG11 B 8 ASP H 1.0 . 6.0 779 779 B 8 ASP H B 8 ASP HBx 1.0 . 3.5 780 780 B 8 ASP H B 8 ASP HBy 1.0 . 5.0 781 781 B 8 ASP HBx B 9 SER H 1.0 . 3.5 782 782 B 8 ASP HBy B 9 SER H 1.0 . 3.5 783 783 B 9 SER H B 9 SER HBx 1.0 . 5.0 784 784 B 9 SER H B 9 SER HBy 1.0 . 5.0 785 785 B 9 SER H B 55 VAL HB 1.0 . 6.0 786 786 B 9 SER H B 55 VAL HG11 1.0 . 6.0 787 787 B 9 SER H B 55 VAL HG21 1.0 . 6.0 788 788 B 9 SER HA B 10 TYR H 1.0 . 2.6 789 789 B 55 VAL HG21 B 9 SER HA 1.0 . 6.0 790 790 B 9 SER HBx B 10 TYR H 1.0 . 5.0 791 791 B 9 SER HBx B 30 GLY HAx 1.0 . 5.0 792 792 B 9 SER HBx B 30 GLY HAy 1.0 . 5.0 793 793 B 9 SER HBx B 31 LEU H 1.0 . 6.0 794 794 B 9 SER HBy B 30 GLY HAx 1.0 . 5.0 795 795 B 9 SER HBy B 30 GLY HAy 1.0 . 5.0 796 796 B 10 TYR H B 10 TYR HBx 1.0 . 3.5 797 797 B 10 TYR H B 10 TYR HBy 1.0 . 5.0 798 798 B 10 TYR H B 30 GLY HAy 1.0 . 6.0 799 799 B 10 TYR H B 31 LEU H 1.0 . 3.5 800 800 B 10 TYR H B 32 SER HA 1.0 . 5.0 801 801 B 10 TYR H B 32 SER HBx 1.0 . 5.0 802 802 B 10 TYR H B 32 SER HBy 1.0 . 5.0 803 803 B 33 LEU HD21 B 10 TYR H 1.0 . 6.0 804 804 B 52 LEU HD11 B 10 TYR H 1.0 . 6.0 805 805 B 55 VAL HG11 B 10 TYR H 1.0 . 6.0 806 806 B 55 VAL HG21 B 10 TYR H 1.0 . 6.0 807 807 B 10 TYR HA B 11 ASP H 1.0 . 2.6 808 808 B 33 LEU HD21 B 10 TYR HA 1.0 . 6.0 809 809 B 52 LEU HD11 B 10 TYR HA 1.0 . 6.0 810 810 B 54 LYS HA B 10 TYR HA 1.0 . 2.6 811 811 B 10 TYR HA B 54 LYS HBx 1.0 . 5.0 812 812 B 10 TYR HA B 54 LYS HBy 1.0 . 5.0 813 813 B 10 TYR HA B 55 VAL H 1.0 . 3.5 814 814 B 55 VAL HB B 10 TYR HA 1.0 . 5.0 815 815 B 55 VAL HG11 B 10 TYR HA 1.0 . 6.0 816 816 B 55 VAL HG21 B 10 TYR HA 1.0 . 4.5 817 817 B 10 TYR HBx B 11 ASP H 1.0 . 5.0 818 818 B 31 LEU H B 10 TYR HBx 1.0 . 6.0 819 819 B 52 LEU HD11 B 10 TYR HBx 1.0 . 6.0 820 820 B 52 LEU HD21 B 10 TYR HBx 1.0 . 6.0 821 821 B 54 LYS HA B 10 TYR HBx 1.0 . 5.0 822 822 B 52 LEU HD11 B 10 TYR HBy 1.0 . 4.5 823 823 B 52 LEU HD21 B 10 TYR HBy 1.0 . 6.0 824 824 B 54 LYS HA B 10 TYR HBy 1.0 . 5.0 825 825 B 10 TYR CG B 31 LEU H 1.0 . 7.2 826 826 B 10 TYR CG B 52 LEU HA 1.0 . 7.2 827 827 B 10 TYR CG B 52 LEU HBy 1.0 . 6.0 828 828 B 10 TYR CG B 52 LEU HG 1.0 . 4.5 829 829 B 52 LEU HD11 B 10 TYR CG 1.0 . 6.7 830 830 B 52 LEU HD21 B 10 TYR CG 1.0 . 6.7 831 831 B 10 TYR CG B 53 ASP H 1.0 . 5.7 832 832 B 10 TYR CG B 54 LYS HA 1.0 . 7.2 833 833 B 10 TYR CG B 54 LYS HA 1.0 . 5.7 834 834 B 10 TYR CG B 55 VAL H 1.0 . 7.2 835 835 B 10 TYR CZ B 52 LEU HA 1.0 . 7.2 836 836 B 52 LEU HD11 B 10 TYR CZ 1.0 . 8.2 837 837 B 52 LEU HD21 B 10 TYR CZ 1.0 . 8.2 838 838 B 10 TYR CZ B 53 ASP H 1.0 . 5.7 839 839 B 10 TYR CZ B 55 VAL H 1.0 . 7.2 840 840 B 11 ASP N B 53 ASP O 1.0 . 3.5 841 841 B 11 ASP H B 11 ASP HBx 1.0 . 3.5 842 842 B 11 ASP H B 11 ASP HBy 1.0 . 3.5 843 843 B 11 ASP H B 29 LYS HA 1.0 . 6.0 844 844 B 11 ASP H B 52 LEU HG 1.0 . 5.0 845 845 B 52 LEU HD11 B 11 ASP H 1.0 . 6.0 846 846 B 11 ASP H B 53 ASP H 1.0 . 3.5 847 847 B 54 LYS HA B 11 ASP H 1.0 . 5.0 848 848 B 55 VAL HG11 B 11 ASP H 1.0 . 6.0 849 849 B 55 VAL HG21 B 11 ASP H 1.0 . 4.5 850 850 B 11 ASP HA B 12 VAL H 1.0 . 2.6 851 851 B 11 ASP HA B 27 TYR CG 1.0 . 7.2 852 852 B 11 ASP HA B 28 HIS H 1.0 . 5.0 853 853 B 29 LYS HA B 11 ASP HA 1.0 . 2.6 854 854 B 11 ASP HA B 29 LYS HBx 1.0 . 5.0 855 855 B 11 ASP HA B 29 LYS HBy 1.0 . 5.0 856 856 B 11 ASP HA B 29 LYS HGx 1.0 . 5.0 857 857 B 11 ASP HA B 29 LYS HGy 1.0 . 5.0 858 858 B 11 ASP HA B 29 LYS HDx 1.0 . 5.0 859 859 B 11 ASP HA B 30 GLY H 1.0 . 3.5 860 860 B 31 LEU H B 11 ASP HA 1.0 . 5.0 861 861 B 11 ASP HA B 31 LEU HD11 1.0 . 6.0 862 862 B 11 ASP HA B 31 LEU HD21 1.0 . 6.0 863 863 B 52 LEU HD21 B 11 ASP HA 1.0 . 6.0 864 864 B 55 VAL HG21 B 11 ASP HA 1.0 . 6.0 865 865 B 11 ASP HBx B 12 VAL H 1.0 . 3.5 866 866 B 11 ASP HBx B 29 LYS HA 1.0 . 5.0 867 867 B 11 ASP HBy B 12 VAL H 1.0 . 5.0 868 868 B 11 ASP HBy B 29 LYS HA 1.0 . 5.0 869 869 B 11 ASP O B 53 ASP N 1.0 . 3.5 870 870 B 12 VAL N B 28 HIS O 1.0 . 3.5 871 871 B 12 VAL H B 12 VAL HB 1.0 . 3.5 872 872 B 12 VAL H B 12 VAL HG11 1.0 . 6.0 873 873 B 12 VAL H B 12 VAL HG21 1.0 . 4.5 874 874 B 29 LYS HA B 12 VAL H 1.0 . 5.0 875 875 B 52 LEU HD11 B 12 VAL H 1.0 . 7.0 876 876 B 12 VAL HA B 13 THR H 1.0 . 2.6 877 877 B 12 VAL HA B 39 LEU HD11 1.0 . 6.0 878 878 B 52 LEU HA B 12 VAL HA 1.0 . 2.6 879 879 B 52 LEU HD11 B 12 VAL HA 1.0 . 6.0 880 880 B 52 LEU HD21 B 12 VAL HA 1.0 . 6.0 881 881 B 53 ASP H B 12 VAL HA 1.0 . 5.0 882 882 B 28 HIS H B 12 VAL HB 1.0 . 5.0 883 883 B 12 VAL HB B 28 HIS HA 1.0 . 5.0 884 884 B 12 VAL HB B 28 HIS HBx 1.0 . 5.0 885 885 B 12 VAL HB B 28 HIS HBy 1.0 . 5.0 886 886 B 12 VAL HB B 28 HIS HD2 1.0 . 5.0 887 887 B 12 VAL HB B 36 PHE CG 1.0 . 7.2 888 888 B 12 VAL HB B 36 PHE CG 1.0 . 7.2 889 889 B 12 VAL HB B 39 LEU HD11 1.0 . 6.0 890 890 B 12 VAL HG11 B 14 MET HGx 1.0 . 4.5 891 891 B 12 VAL HG11 B 14 MET HE1 1.0 . 7.0 892 892 B 27 TYR CG B 12 VAL HG11 1.0 . 8.2 893 893 B 28 HIS H B 12 VAL HG11 1.0 . 6.0 894 894 B 12 VAL HG11 B 28 HIS HBx 1.0 . 6.0 895 895 B 12 VAL HG11 B 28 HIS HD2 1.0 . 6.0 896 896 B 12 VAL HG11 B 36 PHE HBx 1.0 . 6.0 897 897 B 12 VAL HG11 B 36 PHE HBx 1.0 . 6.0 898 898 B 12 VAL HG11 B 36 PHE CG 1.0 . 6.7 899 899 B 12 VAL HG11 B 36 PHE CG 1.0 . 5.8 900 900 B 36 PHE CZ B 12 VAL HG11 1.0 . 6.7 901 901 B 36 PHE CZ B 12 VAL HG11 1.0 . 6.7 902 902 B 36 PHE HZ B 12 VAL HG11 1.0 . 6.0 903 903 B 12 VAL HG11 B 39 LEU HD11 1.0 . 7.0 904 904 B 12 VAL HG11 B 51 ARG H 1.0 . 6.0 905 905 B 12 VAL HG21 B 28 HIS HBx 1.0 . 6.0 906 906 B 12 VAL HG21 B 28 HIS HD2 1.0 . 6.0 907 907 B 31 LEU H B 12 VAL HG21 1.0 . 6.0 908 908 B 12 VAL HG21 B 36 PHE HBx 1.0 . 6.0 909 909 B 12 VAL HG21 B 36 PHE HBx 1.0 . 6.0 910 910 B 12 VAL HG21 B 36 PHE CG 1.0 . 5.8 911 911 B 12 VAL HG21 B 36 PHE CG 1.0 . 5.8 912 912 B 36 PHE CZ B 12 VAL HG21 1.0 . 6.7 913 913 B 36 PHE CZ B 12 VAL HG21 1.0 . 6.7 914 914 B 36 PHE HZ B 12 VAL HG21 1.0 . 6.0 915 915 B 12 VAL HG21 B 39 LEU HD11 1.0 . 7.0 916 916 B 12 VAL O B 28 HIS N 1.0 . 3.5 917 917 B 13 THR N B 51 ARG O 1.0 . 3.5 918 918 B 27 TYR CG B 13 THR H 1.0 . 7.2 919 919 B 13 THR H B 51 ARG H 1.0 . 3.5 920 920 B 52 LEU HD11 B 13 THR H 1.0 . 7.0 921 921 B 13 THR HA B 14 MET H 1.0 . 2.6 922 922 B 13 THR HA B 25 TYR CG 1.0 . 7.2 923 923 B 13 THR HA B 27 TYR HA 1.0 . 2.6 924 924 B 27 TYR CG B 13 THR HA 1.0 . 5.7 925 925 B 28 HIS H B 13 THR HA 1.0 . 5.0 926 926 B 28 HIS HD2 B 13 THR HA 1.0 . 5.0 927 927 B 25 TYR CG B 13 THR HB 1.0 . 7.2 928 928 B 27 TYR HA B 13 THR HB 1.0 . 5.0 929 929 B 27 TYR CG B 13 THR HB 1.0 . 7.2 930 930 B 51 ARG H B 13 THR HB 1.0 . 5.0 931 931 B 13 THR HB B 51 ARG HA 1.0 . 5.0 932 932 B 13 THR HB B 51 ARG HBx 1.0 . 3.5 933 933 B 13 THR HB B 51 ARG HBy 1.0 . 3.5 934 934 B 13 THR HB B 51 ARG HGx 1.0 . 5.0 935 935 B 13 THR HB B 51 ARG HGy 1.0 . 5.0 936 936 B 51 ARG HDx B 13 THR HB 1.0 . 5.0 937 937 B 13 THR HG21 B 25 TYR HBx 1.0 . 6.0 938 938 B 13 THR HG21 B 25 TYR HBy 1.0 . 6.0 939 939 B 13 THR HG21 B 25 TYR CG 1.0 . 5.8 940 940 B 13 THR HG21 B 25 TYR CZ 1.0 . 6.7 941 941 B 13 THR HG21 B 26 GLU H 1.0 . 6.0 942 942 B 13 THR HG21 B 27 TYR HA 1.0 . 6.0 943 943 B 13 THR HG21 B 27 TYR CG 1.0 . 6.7 944 944 B 13 THR HG21 B 27 TYR CZ 1.0 . 6.7 945 945 B 13 THR HG21 B 28 HIS H 1.0 . 6.0 946 946 B 13 THR HG21 B 51 ARG H 1.0 . 6.0 947 947 B 51 ARG HDx B 13 THR HG21 1.0 . 7.0 948 948 B 13 THR O B 51 ARG N 1.0 . 3.5 949 949 B 14 MET N B 26 GLU O 1.0 . 3.5 950 950 B 14 MET H B 14 MET HBx 1.0 . 3.5 951 951 B 14 MET HGx B 14 MET H 1.0 . 5.0 952 952 B 14 MET H B 25 TYR CG 1.0 . 7.2 953 953 B 14 MET H B 25 TYR CZ 1.0 . 7.2 954 954 B 14 MET H B 26 GLU H 1.0 . 3.5 955 955 B 14 MET H B 27 TYR HA 1.0 . 5.0 956 956 B 14 MET HA B 15 LEU H 1.0 . 2.6 957 957 B 25 TYR CG B 14 MET HA 1.0 . 7.2 958 958 B 14 MET HBx B 15 LEU H 1.0 . 5.0 959 959 B 51 ARG H B 14 MET HBx 1.0 . 5.0 960 960 B 14 MET HGx B 15 LEU H 1.0 . 5.0 961 961 B 28 HIS HD2 B 14 MET HGx 1.0 . 5.0 962 962 B 36 PHE CZ B 14 MET HGx 1.0 . 7.2 963 963 B 39 LEU HD11 B 14 MET HGx 1.0 . 6.0 964 964 B 47 ILE HD11 B 14 MET HGx 1.0 . 6.0 965 965 B 50 LEU HD11 B 14 MET HGx 1.0 . 4.5 966 966 B 50 LEU HD21 B 14 MET HGx 1.0 . 4.5 967 967 B 14 MET HE1 B 16 LEU HD11 1.0 . 7.0 968 968 B 14 MET HE1 B 16 LEU HD21 1.0 . 5.5 969 969 B 28 HIS HD2 B 14 MET HE1 1.0 . 4.5 970 970 B 36 PHE CG B 14 MET HE1 1.0 . 8.2 971 971 B 36 PHE CZ B 14 MET HE1 1.0 . 8.2 972 972 B 36 PHE HZ B 14 MET HE1 1.0 . 6.0 973 973 B 39 LEU HD11 B 14 MET HE1 1.0 . 5.5 974 974 B 14 MET HE1 B 40 TYR HA 1.0 . 6.0 975 975 B 40 TYR CG B 14 MET HE1 1.0 . 8.2 976 976 B 40 TYR CZ B 14 MET HE1 1.0 . 8.2 977 977 B 14 MET HE1 B 43 THR HG21 1.0 . 5.5 978 978 B 47 ILE HD11 B 14 MET HE1 1.0 . 7.0 979 979 B 50 LEU HD11 B 14 MET HE1 1.0 . 5.5 980 980 B 14 MET HE1 B 51 ARG H 1.0 . 7.0 981 981 B 14 MET O B 26 GLU N 1.0 . 3.5 982 982 B 15 LEU H B 15 LEU HD11 1.0 . 4.5 983 983 B 15 LEU H B 15 LEU HD21 1.0 . 4.5 984 984 B 49 LYS H B 15 LEU H 1.0 . 3.5 985 985 B 15 LEU H B 50 LEU HA 1.0 . 5.0 986 986 B 15 LEU HD11 B 15 LEU HA 1.0 . 6.0 987 987 B 15 LEU HD21 B 15 LEU HA 1.0 . 3.6 988 988 B 15 LEU HA B 16 LEU H 1.0 . 2.6 989 989 B 15 LEU HA B 25 TYR HA 1.0 . 2.6 990 990 B 25 TYR CG B 15 LEU HA 1.0 . 7.2 991 991 B 25 TYR CZ B 15 LEU HA 1.0 . 7.2 992 992 B 15 LEU HD11 B 23 GLN HA 1.0 . 6.0 993 993 B 15 LEU HD11 B 23 GLN HBx 1.0 . 6.0 994 994 B 25 TYR CG B 15 LEU HD11 1.0 . 8.2 995 995 B 25 TYR CZ B 15 LEU HD11 1.0 . 8.2 996 996 B 48 ILE H B 15 LEU HD11 1.0 . 6.0 997 997 B 49 LYS H B 15 LEU HD11 1.0 . 6.0 998 998 B 49 LYS HGx B 15 LEU HD11 1.0 . 4.5 999 999 B 15 LEU HD11 B 49 LYS HEx 1.0 . 6.0 1000 1000 B 15 LEU HD11 B 49 LYS HEy 1.0 . 6.0 1001 1001 B 15 LEU HD21 B 16 LEU H 1.0 . 4.5 1002 1002 B 15 LEU HD21 B 23 GLN HA 1.0 . 6.0 1003 1003 B 15 LEU HD21 B 23 GLN HBy 1.0 . 6.0 1004 1004 B 15 LEU HD21 B 24 TYR HA 1.0 . 6.0 1005 1005 B 15 LEU HD21 B 24 TYR CG 1.0 . 8.2 1006 1006 B 15 LEU HD21 B 25 TYR HA 1.0 . 6.0 1007 1007 B 25 TYR CG B 15 LEU HD21 1.0 . 6.7 1008 1008 B 25 TYR CZ B 15 LEU HD21 1.0 . 6.7 1009 1009 B 26 GLU H B 15 LEU HD21 1.0 . 6.0 1010 1010 B 39 LEU HD11 B 15 LEU HD21 1.0 . 8.0 1011 1011 B 49 LYS HGx B 15 LEU HD21 1.0 . 4.5 1012 1012 B 15 LEU HD21 B 49 LYS HEy 1.0 . 6.0 1013 1013 B 16 LEU N B 24 TYR O 1.0 . 3.5 1014 1014 B 16 LEU HD11 B 16 LEU H 1.0 . 4.5 1015 1015 B 16 LEU HD11 B 16 LEU HA 1.0 . 4.5 1016 1016 B 16 LEU HD21 B 16 LEU HA 1.0 . 3.6 1017 1017 B 16 LEU HA B 17 GLN H 1.0 . 2.6 1018 1018 B 16 LEU HA B 47 ILE HA 1.0 . 5.0 1019 1019 B 16 LEU HD11 B 24 TYR CG 1.0 . 6.7 1020 1020 B 16 LEU HD11 B 43 THR H 1.0 . 6.0 1021 1021 B 16 LEU HD11 B 45 ASP HA 1.0 . 6.0 1022 1022 B 16 LEU HD11 B 45 ASP HBx 1.0 . 6.0 1023 1023 B 16 LEU HD11 B 45 ASP HBy 1.0 . 6.0 1024 1024 B 48 ILE H B 16 LEU HD11 1.0 . 6.0 1025 1025 B 49 LYS H B 16 LEU HD11 1.0 . 6.0 1026 1026 B 16 LEU HD21 B 17 GLN H 1.0 . 6.0 1027 1027 B 16 LEU HD21 B 24 TYR CG 1.0 . 8.2 1028 1028 B 16 LEU HD21 B 43 THR HA 1.0 . 6.0 1029 1029 B 16 LEU HD21 B 43 THR HB 1.0 . 6.0 1030 1030 B 16 LEU HD21 B 45 ASP HA 1.0 . 6.0 1031 1031 B 16 LEU HD21 B 45 ASP HBx 1.0 . 6.0 1032 1032 B 16 LEU HD21 B 45 ASP HBy 1.0 . 6.0 1033 1033 B 16 LEU HD21 B 47 ILE HA 1.0 . 4.5 1034 1034 B 48 ILE H B 16 LEU HD21 1.0 . 4.5 1035 1035 B 49 LYS H B 16 LEU HD21 1.0 . 6.0 1036 1036 B 16 LEU O B 24 TYR N 1.0 . 3.5 1037 1037 B 48 ILE HD11 B 17 GLN H 1.0 . 6.0 1038 1038 B 17 GLN HA B 18 ASP H 1.0 . 2.6 1039 1039 B 17 GLN HA B 21 GLY HAx 1.0 . 6.0 1040 1040 B 17 GLN HA B 22 LYS H 1.0 . 6.0 1041 1041 B 17 GLN HA B 23 GLN H 1.0 . 5.0 1042 1042 B 23 GLN HA B 17 GLN HA 1.0 . 2.6 1043 1043 B 17 GLN HA B 24 TYR H 1.0 . 3.5 1044 1044 B 24 TYR CG B 17 GLN HA 1.0 . 7.2 1045 1045 B 17 GLN HA B 24 TYR CZ 1.0 . 7.2 1046 1046 B 18 ASP H B 17 GLN HBx 1.0 . 5.0 1047 1047 B 17 GLN HBx B 21 GLY H 1.0 . 6.0 1048 1048 B 18 ASP H B 17 GLN HGx 1.0 . 5.0 1049 1049 B 21 GLY H B 17 GLN HGx 1.0 . 5.0 1050 1050 B 21 GLY HAx B 17 GLN HGx 1.0 . 5.0 1051 1051 B 21 GLY HAx B 17 GLN HGx 1.0 . 5.0 1052 1052 B 17 GLN HGx B 21 GLY HAy 1.0 . 5.0 1053 1053 B 22 LYS H B 17 GLN HGx 1.0 . 6.0 1054 1054 B 48 ILE HD11 B 17 GLN HGx 1.0 . 6.0 1055 1055 B 21 GLY H B 17 GLN HGy 1.0 . 6.0 1056 1056 B 22 LYS H B 17 GLN HGy 1.0 . 5.0 1057 1057 B 21 GLY HAx B 17 GLN HE2x 1.0 . 5.0 1058 1058 B 21 GLY HAy B 17 GLN HE2x 1.0 . 5.0 1059 1059 B 21 GLY HAx B 17 GLN HE2y 1.0 . 5.0 1060 1060 B 21 GLY HAy B 17 GLN HE2y 1.0 . 5.0 1061 1061 B 48 ILE HD11 B 17 GLN HE2y 1.0 . 6.0 1062 1062 B 18 ASP H B 18 ASP HBx 1.0 . 5.0 1063 1063 B 18 ASP H B 18 ASP HBy 1.0 . 3.5 1064 1064 B 18 ASP H B 21 GLY H 1.0 . 6.0 1065 1065 B 18 ASP H B 22 LYS H 1.0 . 3.5 1066 1066 B 23 GLN HA B 18 ASP H 1.0 . 3.5 1067 1067 B 24 TYR CG B 18 ASP H 1.0 . 7.2 1068 1068 B 18 ASP H B 24 TYR CZ 1.0 . 7.2 1069 1069 B 18 ASP HA B 19 ASP H 1.0 . 2.6 1070 1070 B 24 TYR CG B 18 ASP HA 1.0 . 7.2 1071 1071 B 18 ASP HBx B 19 ASP H 1.0 . 2.6 1072 1072 B 18 ASP HBx B 20 ASP H 1.0 . 5.0 1073 1073 B 24 TYR CG B 18 ASP HBx 1.0 . 7.2 1074 1074 B 24 TYR CZ B 18 ASP HBx 1.0 . 5.7 1075 1075 B 24 TYR CG B 18 ASP HBy 1.0 . 7.2 1076 1076 B 24 TYR CZ B 18 ASP HBy 1.0 . 5.7 1077 1077 B 19 ASP H B 19 ASP HBy 1.0 . 3.5 1078 1078 B 19 ASP H B 20 ASP H 1.0 . 3.5 1079 1079 B 21 GLY H B 19 ASP H 1.0 . 6.0 1080 1080 B 20 ASP H B 19 ASP HA 1.0 . 5.0 1081 1081 B 21 GLY H B 19 ASP HA 1.0 . 5.0 1082 1082 B 20 ASP H B 20 ASP HBx 1.0 . 3.5 1083 1083 B 21 GLY HAx B 20 ASP H 1.0 . 5.0 1084 1084 B 21 GLY HAy B 20 ASP H 1.0 . 5.0 1085 1085 B 22 LYS H B 20 ASP H 1.0 . 5.0 1086 1086 B 21 GLY H B 20 ASP HA 1.0 . 3.5 1087 1087 B 22 LYS H B 20 ASP HA 1.0 . 5.0 1088 1088 B 21 GLY H B 20 ASP HBx 1.0 . 5.0 1089 1089 B 22 LYS H B 20 ASP HBx 1.0 . 5.0 1090 1090 B 22 LYS H B 20 ASP HBy 1.0 . 5.0 1091 1091 B 22 LYS H B 21 GLY H 1.0 . 3.5 1092 1092 B 22 LYS H B 21 GLY HAy 1.0 . 3.5 1093 1093 B 22 LYS H B 22 LYS HBx 1.0 . 3.5 1094 1094 B 22 LYS H B 22 LYS HBy 1.0 . 5.0 1095 1095 B 22 LYS H B 22 LYS HGx 1.0 . 3.5 1096 1096 B 22 LYS H B 22 LYS HGy 1.0 . 5.0 1097 1097 B 22 LYS H B 24 TYR HBx 1.0 . 6.0 1098 1098 B 23 GLN HBx B 23 GLN H 1.0 . 3.5 1099 1099 B 23 GLN H B 23 GLN HGx 1.0 . 5.0 1100 1100 B 23 GLN H B 23 GLN HGy 1.0 . 5.0 1101 1101 B 23 GLN HA B 24 TYR H 1.0 . 2.6 1102 1102 B 48 ILE HD11 B 23 GLN HGx 1.0 . 6.0 1103 1103 B 23 GLN HE2x B 48 ILE HB 1.0 . 5.0 1104 1104 B 48 ILE HG21 B 23 GLN HE2x 1.0 . 6.0 1105 1105 B 23 GLN HE2x B 48 ILE HG1x 1.0 . 5.0 1106 1106 B 23 GLN HE2x B 48 ILE HG1y 1.0 . 5.0 1107 1107 B 48 ILE HD11 B 23 GLN HE2x 1.0 . 6.0 1108 1108 B 48 ILE HD11 B 23 GLN HE2y 1.0 . 6.0 1109 1109 B 24 TYR H B 24 TYR HBx 1.0 . 5.0 1110 1110 B 24 TYR HA B 25 TYR H 1.0 . 2.6 1111 1111 B 24 TYR CG B 26 GLU HBx 1.0 . 7.2 1112 1112 B 24 TYR CG B 26 GLU HBy 1.0 . 7.2 1113 1113 B 24 TYR CG B 26 GLU HGx 1.0 . 7.2 1114 1114 B 24 TYR CG B 26 GLU HGy 1.0 . 7.2 1115 1115 B 25 TYR HBx B 25 TYR H 1.0 . 5.0 1116 1116 B 25 TYR HBy B 25 TYR H 1.0 . 5.0 1117 1117 B 26 GLU H B 25 TYR HA 1.0 . 2.6 1118 1118 B 25 TYR HBx B 26 GLU H 1.0 . 5.0 1119 1119 B 25 TYR HBy B 26 GLU H 1.0 . 5.0 1120 1120 B 27 TYR CG B 25 TYR HBy 1.0 . 7.2 1121 1121 B 27 TYR CG B 25 TYR CG 1.0 . 7.9 1122 1122 B 27 TYR CG B 25 TYR CG 1.0 . 7.9 1123 1123 B 26 GLU H B 26 GLU HBx 1.0 . 3.5 1124 1124 B 26 GLU HBx B 27 TYR H 1.0 . 5.0 1125 1125 B 28 HIS HD2 B 26 GLU HBy 1.0 . 5.0 1126 1126 B 28 HIS HD2 B 26 GLU HGy 1.0 . 5.0 1127 1127 B 28 HIS H B 27 TYR HA 1.0 . 2.6 1128 1128 B 28 HIS HD2 B 27 TYR HA 1.0 . 5.0 1129 1129 B 28 HIS H B 28 HIS HBx 1.0 . 5.0 1130 1130 B 28 HIS HA B 29 LYS H 1.0 . 2.6 1131 1131 B 28 HIS HBx B 29 LYS H 1.0 . 5.0 1132 1132 B 39 LEU HD11 B 28 HIS HBx 1.0 . 7.0 1133 1133 B 28 HIS HBy B 29 LYS H 1.0 . 5.0 1134 1134 B 39 LEU HD11 B 28 HIS HBy 1.0 . 7.0 1135 1135 B 28 HIS HD2 B 36 PHE CG 1.0 . 7.2 1136 1136 B 39 LEU HD11 B 28 HIS HD2 1.0 . 6.0 1137 1137 B 39 LEU HD11 B 28 HIS HE1 1.0 . 6.0 1138 1138 B 29 LYS HGx B 29 LYS H 1.0 . 5.0 1139 1139 B 29 LYS HGy B 29 LYS H 1.0 . 5.0 1140 1140 B 31 LEU HD11 B 29 LYS H 1.0 . 6.0 1141 1141 B 31 LEU HD11 B 29 LYS H 1.0 . 7.2 1142 1142 B 29 LYS HA B 30 GLY H 1.0 . 2.6 1143 1143 B 31 LEU H B 29 LYS HA 1.0 . 5.0 1144 1144 B 29 LYS HBx B 30 GLY H 1.0 . 5.0 1145 1145 B 29 LYS HBy B 30 GLY H 1.0 . 5.0 1146 1146 B 29 LYS HGx B 30 GLY H 1.0 . 5.0 1147 1147 B 31 LEU H B 30 GLY H 1.0 . 3.5 1148 1148 B 30 GLY HAx B 31 LEU H 1.0 . 5.0 1149 1149 B 30 GLY HAy B 31 LEU H 1.0 . 3.5 1150 1150 B 31 LEU H B 31 LEU HBx 1.0 . 5.0 1151 1151 B 31 LEU H B 31 LEU HBy 1.0 . 3.5 1152 1152 B 31 LEU H B 31 LEU HG 1.0 . 3.5 1153 1153 B 31 LEU H B 31 LEU HD11 1.0 . 6.0 1154 1154 B 31 LEU H B 31 LEU HD21 1.0 . 6.0 1155 1155 B 31 LEU H B 32 SER H 1.0 . 5.0 1156 1156 B 31 LEU H B 35 ASP HBy 1.0 . 6.0 1157 1157 B 31 LEU HG B 31 LEU HA 1.0 . 5.0 1158 1158 B 31 LEU HD11 B 31 LEU HA 1.0 . 3.6 1159 1159 B 31 LEU HBx B 32 SER H 1.0 . 5.0 1160 1160 B 31 LEU HBx B 35 ASP HBx 1.0 . 3.5 1161 1161 B 31 LEU HBx B 35 ASP HBy 1.0 . 3.5 1162 1162 B 31 LEU HBy B 32 SER H 1.0 . 5.0 1163 1163 B 31 LEU HBy B 35 ASP HBx 1.0 . 5.0 1164 1164 B 31 LEU HBy B 35 ASP HBy 1.0 . 5.0 1165 1165 B 31 LEU HG B 35 ASP HBx 1.0 . 5.0 1166 1166 B 31 LEU HG B 35 ASP HBy 1.0 . 5.0 1167 1167 B 31 LEU HD11 B 32 SER H 1.0 . 6.0 1168 1168 B 31 LEU HD11 B 35 ASP HBx 1.0 . 6.0 1169 1169 B 31 LEU HD11 B 35 ASP HBy 1.0 . 6.0 1170 1170 B 31 LEU HD11 B 36 PHE CG 1.0 . 8.2 1171 1171 B 31 LEU HD21 B 35 ASP HBx 1.0 . 6.0 1172 1172 B 31 LEU HD21 B 35 ASP HBy 1.0 . 6.0 1173 1173 B 31 LEU HD21 B 36 PHE CG 1.0 . 8.2 1174 1174 B 32 SER HBx B 32 SER H 1.0 . 5.0 1175 1175 B 32 SER HBy B 32 SER H 1.0 . 5.0 1176 1176 B 32 SER H B 33 LEU H 1.0 . 5.0 1177 1177 B 32 SER H B 35 ASP H 1.0 . 5.0 1178 1178 B 32 SER H B 35 ASP HBx 1.0 . 3.5 1179 1179 B 32 SER H B 35 ASP HBy 1.0 . 3.5 1180 1180 B 32 SER HA B 33 LEU H 1.0 . 3.5 1181 1181 B 32 SER HA B 34 SER H 1.0 . 5.0 1182 1182 B 32 SER HA B 35 ASP H 1.0 . 5.0 1183 1183 B 32 SER HBx B 33 LEU H 1.0 . 3.5 1184 1184 B 32 SER HBx B 34 SER H 1.0 . 5.0 1185 1185 B 33 LEU HD11 B 33 LEU H 1.0 . 6.0 1186 1186 B 33 LEU H B 34 SER H 1.0 . 3.5 1187 1187 B 33 LEU HD21 B 33 LEU HA 1.0 . 3.6 1188 1188 B 52 LEU HD11 B 33 LEU HA 1.0 . 6.0 1189 1189 B 52 LEU HD21 B 33 LEU HA 1.0 . 6.0 1190 1190 B 33 LEU HD11 B 34 SER H 1.0 . 6.0 1191 1191 B 33 LEU HD11 B 36 PHE CG 1.0 . 6.7 1192 1192 B 33 LEU HD21 B 34 SER H 1.0 . 6.0 1193 1193 B 33 LEU HD21 B 36 PHE HBx 1.0 . 6.0 1194 1194 B 33 LEU HD21 B 36 PHE CG 1.0 . 6.7 1195 1195 B 33 LEU HD21 B 52 LEU HD11 1.0 . 5.5 1196 1196 B 33 LEU HD21 B 52 LEU HD21 1.0 . 5.5 1197 1197 B 34 SER H B 34 SER HBx 1.0 . 3.5 1198 1198 B 34 SER H B 34 SER HBy 1.0 . 2.6 1199 1199 B 35 ASP H B 34 SER H 1.0 . 3.5 1200 1200 B 34 SER H B 36 PHE H 1.0 . 5.0 1201 1201 B 35 ASP H B 34 SER HA 1.0 . 5.0 1202 1202 B 36 PHE CG B 34 SER HA 1.0 . 7.2 1203 1203 B 34 SER HA B 37 GLU H 1.0 . 3.5 1204 1204 B 34 SER HA B 37 GLU HBx 1.0 . 3.5 1205 1205 B 34 SER HA B 37 GLU HBy 1.0 . 5.0 1206 1206 B 37 GLU HGx B 34 SER HA 1.0 . 5.0 1207 1207 B 37 GLU HGy B 34 SER HA 1.0 . 3.5 1208 1208 B 34 SER HA B 38 VAL H 1.0 . 5.0 1209 1209 B 35 ASP H B 34 SER HBx 1.0 . 5.0 1210 1210 B 35 ASP H B 34 SER HBy 1.0 . 3.5 1211 1211 B 35 ASP HBx B 35 ASP H 1.0 . 3.5 1212 1212 B 35 ASP HBy B 35 ASP H 1.0 . 5.0 1213 1213 B 35 ASP H B 36 PHE H 1.0 . 3.5 1214 1214 B 35 ASP H B 38 VAL HB 1.0 . 6.0 1215 1215 B 35 ASP H B 38 VAL HG11 1.0 . 7.0 1216 1216 B 35 ASP H B 38 VAL HG21 1.0 . 6.0 1217 1217 B 38 VAL H B 35 ASP HA 1.0 . 3.5 1218 1218 B 38 VAL HB B 35 ASP HA 1.0 . 3.5 1219 1219 B 38 VAL HG11 B 35 ASP HA 1.0 . 4.5 1220 1220 B 38 VAL HG21 B 35 ASP HA 1.0 . 4.5 1221 1221 B 35 ASP HA B 39 LEU H 1.0 . 5.0 1222 1222 B 35 ASP HBx B 36 PHE H 1.0 . 5.0 1223 1223 B 36 PHE HBx B 36 PHE H 1.0 . 3.5 1224 1224 B 36 PHE H B 36 PHE HBy 1.0 . 5.0 1225 1225 B 36 PHE H B 37 GLU H 1.0 . 3.5 1226 1226 B 39 LEU H B 36 PHE HA 1.0 . 3.5 1227 1227 B 36 PHE HA B 39 LEU HBx 1.0 . 3.5 1228 1228 B 36 PHE HA B 39 LEU HBy 1.0 . 5.0 1229 1229 B 39 LEU HD11 B 36 PHE HA 1.0 . 6.0 1230 1230 B 36 PHE HA B 40 TYR H 1.0 . 5.0 1231 1231 B 36 PHE HBx B 37 GLU H 1.0 . 3.5 1232 1232 B 52 LEU HD11 B 36 PHE HBx 1.0 . 6.0 1233 1233 B 52 LEU HD21 B 36 PHE HBx 1.0 . 6.0 1234 1234 B 37 GLU H B 36 PHE HBy 1.0 . 5.0 1235 1235 B 52 LEU HD11 B 36 PHE HBy 1.0 . 6.0 1236 1236 B 36 PHE CG B 37 GLU HBy 1.0 . 7.2 1237 1237 B 37 GLU HGx B 36 PHE CG 1.0 . 5.7 1238 1238 B 36 PHE CG B 39 LEU HBx 1.0 . 7.2 1239 1239 B 36 PHE CG B 39 LEU HBy 1.0 . 7.2 1240 1240 B 39 LEU HD11 B 36 PHE CG 1.0 . 8.2 1241 1241 B 36 PHE CG B 40 TYR HA 1.0 . 7.2 1242 1242 B 40 TYR HBx B 36 PHE CG 1.0 . 7.2 1243 1243 B 36 PHE CG B 40 TYR HBy 1.0 . 7.2 1244 1244 B 40 TYR CG B 36 PHE CG 1.0 . 9.4 1245 1245 B 52 LEU HD11 B 36 PHE CG 1.0 . 6.7 1246 1246 B 52 LEU HD21 B 36 PHE CG 1.0 . 8.2 1247 1247 B 36 PHE CZ B 39 LEU HD11 1.0 . 8.2 1248 1248 B 36 PHE CZ B 40 TYR HA 1.0 . 7.2 1249 1249 B 40 TYR HBx B 36 PHE CZ 1.0 . 7.2 1250 1250 B 36 PHE CZ B 40 TYR HBy 1.0 . 7.2 1251 1251 B 36 PHE CZ B 50 LEU HBx 1.0 . 7.2 1252 1252 B 40 TYR HBx B 36 PHE HZ 1.0 . 5.0 1253 1253 B 36 PHE HZ B 40 TYR HBy 1.0 . 5.0 1254 1254 B 36 PHE HZ B 50 LEU HBx 1.0 . 5.0 1255 1255 B 37 GLU H B 37 GLU HBx 1.0 . 3.5 1256 1256 B 37 GLU H B 37 GLU HBy 1.0 . 3.5 1257 1257 B 37 GLU HGx B 37 GLU H 1.0 . 3.5 1258 1258 B 37 GLU HGy B 37 GLU H 1.0 . 5.0 1259 1259 B 37 GLU H B 38 VAL H 1.0 . 3.5 1260 1260 B 37 GLU H B 39 LEU H 1.0 . 5.0 1261 1261 B 38 VAL H B 37 GLU HA 1.0 . 5.0 1262 1262 B 39 LEU H B 37 GLU HA 1.0 . 5.0 1263 1263 B 40 TYR H B 37 GLU HA 1.0 . 5.0 1264 1264 B 40 TYR CG B 37 GLU HA 1.0 . 5.7 1265 1265 B 40 TYR CZ B 37 GLU HA 1.0 . 7.2 1266 1266 B 37 GLU HA B 41 GLY H 1.0 . 5.0 1267 1267 B 37 GLU HBx B 38 VAL H 1.0 . 3.5 1268 1268 B 40 TYR CG B 37 GLU HBy 1.0 . 7.2 1269 1269 B 40 TYR CZ B 37 GLU HBy 1.0 . 7.2 1270 1270 B 40 TYR CG B 37 GLU HGx 1.0 . 7.2 1271 1271 B 38 VAL H B 38 VAL HB 1.0 . 3.5 1272 1272 B 38 VAL H B 38 VAL HG11 1.0 . 3.6 1273 1273 B 38 VAL H B 38 VAL HG21 1.0 . 5.0 1274 1274 B 38 VAL H B 39 LEU H 1.0 . 3.5 1275 1275 B 38 VAL H B 40 TYR H 1.0 . 5.0 1276 1276 B 38 VAL HG11 B 38 VAL HA 1.0 . 3.6 1277 1277 B 38 VAL HG21 B 38 VAL HA 1.0 . 4.5 1278 1278 B 39 LEU H B 38 VAL HA 1.0 . 5.0 1279 1279 B 41 GLY H B 38 VAL HA 1.0 . 5.0 1280 1280 B 38 VAL HA B 42 ASN H 1.0 . 5.0 1281 1281 B 38 VAL HB B 39 LEU H 1.0 . 3.5 1282 1282 B 38 VAL HG11 B 39 LEU H 1.0 . 6.0 1283 1283 B 38 VAL HG21 B 39 LEU H 1.0 . 3.5 1284 1284 B 39 LEU H B 39 LEU HBx 1.0 . 3.5 1285 1285 B 39 LEU H B 39 LEU HBy 1.0 . 2.6 1286 1286 B 39 LEU H B 39 LEU HG 1.0 . 5.0 1287 1287 B 39 LEU HD11 B 39 LEU H 1.0 . 4.5 1288 1288 B 39 LEU H B 40 TYR H 1.0 . 3.5 1289 1289 B 42 ASN H B 39 LEU HA 1.0 . 5.0 1290 1290 B 39 LEU HA B 42 ASN HBx 1.0 . 5.0 1291 1291 B 39 LEU HA B 42 ASN HBy 1.0 . 3.5 1292 1292 B 39 LEU HBx B 40 TYR H 1.0 . 3.5 1293 1293 B 39 LEU HD11 B 40 TYR H 1.0 . 6.0 1294 1294 B 40 TYR HBx B 40 TYR H 1.0 . 3.5 1295 1295 B 40 TYR H B 40 TYR HBy 1.0 . 3.5 1296 1296 B 40 TYR H B 41 GLY H 1.0 . 3.5 1297 1297 B 40 TYR HA B 43 THR H 1.0 . 5.0 1298 1298 B 40 TYR HA B 43 THR HG21 1.0 . 6.0 1299 1299 B 40 TYR HBx B 41 GLY H 1.0 . 3.5 1300 1300 B 40 TYR HBy B 41 GLY H 1.0 . 5.0 1301 1301 B 40 TYR CG B 44 ALA HB1 1.0 . 8.2 1302 1302 B 40 TYR CG B 50 LEU HD11 1.0 . 6.7 1303 1303 B 40 TYR CG B 50 LEU HD21 1.0 . 8.2 1304 1304 B 40 TYR CZ B 44 ALA HB1 1.0 . 8.2 1305 1305 B 47 ILE HD11 B 40 TYR CZ 1.0 . 8.2 1306 1306 B 40 TYR CZ B 50 LEU HD11 1.0 . 8.2 1307 1307 B 41 GLY H B 42 ASN H 1.0 . 3.5 1308 1308 B 42 ASN H B 41 GLY HAx 1.0 . 5.0 1309 1309 B 43 THR H B 41 GLY HAx 1.0 . 5.0 1310 1310 B 42 ASN H B 41 GLY HAy 1.0 . 5.0 1311 1311 B 43 THR H B 41 GLY HAy 1.0 . 5.0 1312 1312 B 42 ASN H B 42 ASN HBx 1.0 . 3.5 1313 1313 B 42 ASN H B 42 ASN HBy 1.0 . 2.6 1314 1314 B 43 THR HA B 42 ASN H 1.0 . 5.0 1315 1315 B 43 THR H B 42 ASN HA 1.0 . 5.0 1316 1316 B 43 THR H B 42 ASN HBx 1.0 . 5.0 1317 1317 B 43 THR H B 42 ASN HBy 1.0 . 5.0 1318 1318 B 43 THR HG21 B 43 THR H 1.0 . 4.5 1319 1319 B 43 THR H B 44 ALA H 1.0 . 5.0 1320 1320 B 43 THR HB B 44 ALA H 1.0 . 3.5 1321 1321 B 43 THR HB B 44 ALA HB1 1.0 . 6.0 1322 1322 B 43 THR HB B 45 ASP H 1.0 . 5.0 1323 1323 B 43 THR HG21 B 44 ALA H 1.0 . 6.0 1324 1324 B 43 THR HG21 B 45 ASP H 1.0 . 6.0 1325 1325 B 44 ALA HB1 B 44 ALA H 1.0 . 4.5 1326 1326 B 44 ALA H B 45 ASP H 1.0 . 5.0 1327 1327 B 44 ALA HB1 B 45 ASP H 1.0 . 6.0 1328 1328 B 45 ASP HBy B 45 ASP H 1.0 . 5.0 1329 1329 B 45 ASP HA B 46 GLU H 1.0 . 3.5 1330 1330 B 45 ASP HBx B 46 GLU H 1.0 . 3.5 1331 1331 B 45 ASP HBy B 46 GLU H 1.0 . 5.0 1332 1332 B 48 ILE HD11 B 46 GLU HGx 1.0 . 6.0 1333 1333 B 47 ILE HD11 B 47 ILE HA 1.0 . 4.5 1334 1334 B 48 ILE H B 47 ILE HA 1.0 . 2.6 1335 1335 B 47 ILE HG21 B 49 LYS H 1.0 . 6.0 1336 1336 B 47 ILE HD11 B 48 ILE H 1.0 . 3.5 1337 1337 B 47 ILE HD11 B 50 LEU H 1.0 . 6.0 1338 1338 B 47 ILE HD11 B 50 LEU HG 1.0 . 6.0 1339 1339 B 47 ILE HD11 B 50 LEU HD11 1.0 . 7.0 1340 1340 B 48 ILE H B 48 ILE HB 1.0 . 3.5 1341 1341 B 48 ILE HD11 B 48 ILE H 1.0 . 6.0 1342 1342 B 49 LYS H B 48 ILE H 1.0 . 2.6 1343 1343 B 48 ILE HA B 48 ILE HD11 1.0 . 3.6 1344 1344 B 49 LYS H B 48 ILE HB 1.0 . 3.5 1345 1345 B 49 LYS H B 48 ILE HG1x 1.0 . 5.0 1346 1346 B 49 LYS H B 48 ILE HG1y 1.0 . 5.0 1347 1347 B 48 ILE HD11 B 49 LYS H 1.0 . 6.0 1348 1348 B 50 LEU H B 49 LYS HA 1.0 . 2.6 1349 1349 B 50 LEU HD11 B 50 LEU H 1.0 . 6.0 1350 1350 B 50 LEU HD21 B 50 LEU H 1.0 . 6.0 1351 1351 B 51 ARG H B 50 LEU HA 1.0 . 2.6 1352 1352 B 50 LEU HD11 B 51 ARG H 1.0 . 6.0 1353 1353 B 50 LEU HD21 B 51 ARG H 1.0 . 6.0 1354 1354 B 51 ARG H B 51 ARG HBx 1.0 . 5.0 1355 1355 B 51 ARG H B 51 ARG HBy 1.0 . 5.0 1356 1356 B 51 ARG H B 51 ARG HGx 1.0 . 5.0 1357 1357 B 51 ARG H B 51 ARG HGy 1.0 . 5.0 1358 1358 B 51 ARG HDx B 51 ARG H 1.0 . 5.0 1359 1359 B 52 LEU H B 51 ARG HA 1.0 . 2.6 1360 1360 B 52 LEU H B 51 ARG HBx 1.0 . 5.0 1361 1361 B 52 LEU H B 51 ARG HBy 1.0 . 5.0 1362 1362 B 52 LEU H B 52 LEU HBx 1.0 . 5.0 1363 1363 B 52 LEU H B 52 LEU HBy 1.0 . 5.0 1364 1364 B 52 LEU HD11 B 52 LEU H 1.0 . 6.0 1365 1365 B 52 LEU HD11 B 52 LEU HA 1.0 . 4.5 1366 1366 B 52 LEU HA B 53 ASP H 1.0 . 2.6 1367 1367 B 52 LEU HBx B 53 ASP H 1.0 . 5.0 1368 1368 B 52 LEU HBy B 53 ASP H 1.0 . 5.0 1369 1369 B 52 LEU HG B 53 ASP H 1.0 . 5.0 1370 1370 B 52 LEU HD11 B 53 ASP H 1.0 . 5.0 1371 1371 B 53 ASP H B 53 ASP HBx 1.0 . 3.5 1372 1372 B 54 LYS H B 53 ASP HA 1.0 . 2.6 1373 1373 B 54 LYS H B 54 LYS HBx 1.0 . 5.0 1374 1374 B 54 LYS H B 54 LYS HBy 1.0 . 3.5 1375 1375 B 54 LYS HA B 55 VAL H 1.0 . 2.6 1376 1376 B 54 LYS HA B 56 LEU H 1.0 . 6.0 1377 1377 B 55 VAL HG11 B 55 VAL H 1.0 . 4.5 1378 1378 B 56 LEU H B 55 VAL HA 1.0 . 2.6 1379 1379 B 55 VAL HB B 56 LEU H 1.0 . 3.5 1380 1380 B 56 LEU H B 56 LEU HD21 1.0 . 6.0 stop_ save_