data_nef_c34081_5mrg 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 5MRG stop_ 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 ALA middle . . 3 A 3 GLY middle . false 4 A 4 SER middle . . 5 A 5 HIS middle . . 6 A 6 HIS middle . . 7 A 7 HIS middle . . 8 A 8 HIS middle . . 9 A 9 HIS middle . . 10 A 10 HIS middle . . 11 A 11 GLY middle . false 12 A 12 SER middle . . 13 A 13 MET middle . . 14 A 14 SER middle . . 15 A 15 GLU middle . . 16 A 16 TYR middle . . 17 A 17 ILE middle . . 18 A 18 ARG middle . . 19 A 19 VAL middle . . 20 A 20 THR middle . . 21 A 21 GLU middle . . 22 A 22 ASP middle . . 23 A 23 GLU middle . . 24 A 24 ASN middle . . 25 A 25 ASP middle . . 26 A 26 GLU middle . . 27 A 27 PRO middle . false 28 A 28 ILE middle . . 29 A 29 GLU middle . . 30 A 30 ILE middle . . 31 A 31 PRO middle . false 32 A 32 SER middle . . 33 A 33 GLU middle . . 34 A 34 ASP middle . . 35 A 35 ASP middle . . 36 A 36 GLY middle . false 37 A 37 THR middle . . 38 A 38 VAL middle . . 39 A 39 LEU middle . . 40 A 40 LEU middle . . 41 A 41 SER middle . . 42 A 42 THR middle . . 43 A 43 VAL middle . . 44 A 44 THR middle . . 45 A 45 ALA middle . . 46 A 46 GLN middle . . 47 A 47 PHE middle . . 48 A 48 PRO middle . false 49 A 49 GLY middle . false 50 A 50 ALA middle . . 51 A 51 CYS middle . . 52 A 52 GLY middle . false 53 A 53 LEU middle . . 54 A 54 ARG middle . . 55 A 55 TYR middle . . 56 A 56 ARG middle . . 57 A 57 ASN middle . . 58 A 58 PRO middle . false 59 A 59 VAL middle . . 60 A 60 SER middle . . 61 A 61 GLN middle . . 62 A 62 CYS middle . . 63 A 63 MET middle . . 64 A 64 ARG middle . . 65 A 65 GLY middle . false 66 A 66 VAL middle . . 67 A 67 ARG middle . . 68 A 68 LEU middle . . 69 A 69 VAL middle . . 70 A 70 GLU middle . . 71 A 71 GLY middle . false 72 A 72 ILE middle . . 73 A 73 LEU middle . . 74 A 74 HIS middle . . 75 A 75 ALA middle . . 76 A 76 PRO middle . false 77 A 77 ASP middle . . 78 A 78 ALA middle . . 79 A 79 GLY middle . false 80 A 80 TRP middle . . 81 A 81 GLY middle . false 82 A 82 ASN middle . . 83 A 83 LEU middle . . 84 A 84 VAL middle . . 85 A 85 TYR middle . . 86 A 86 VAL middle . . 87 A 87 VAL middle . . 88 A 88 ASN middle . . 89 A 89 TYR middle . . 90 A 90 PRO middle . false 91 A 91 LYS middle . . 92 A 92 ASP middle . . 93 A 93 ASN middle . . 94 A 94 LYS middle . . 95 A 95 ARG middle . . 96 A 96 LYS middle . . 97 A 97 MET middle . . 98 A 98 ASP middle . . 99 A 99 GLU middle . . 100 A 100 THR middle . . 101 A 101 ASP middle . . 102 A 102 ALA middle . . 103 A 103 SER middle . . 104 A 104 SER middle . . 105 A 105 ALA middle . . 106 A 106 VAL middle . . 107 A 107 LYS middle . . 108 A 108 VAL middle . . 109 A 109 LYS middle . . 110 A 110 ARG middle . . 111 A 111 ALA middle . . 112 A 112 VAL middle . . 113 A 113 GLN middle . . 114 A 114 LYS end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 4 SER H H 1 8.179 0.001 A 4 SER HA H 1 4.328 0.000 A 4 SER HBy H 1 3.933 0.003 A 4 SER HBx H 1 3.702 0.000 A 10 HIS HA H 1 4.611 0.000 A 10 HIS HBx H 1 3.119 0.003 A 11 GLY H H 1 8.553 0.003 A 11 GLY HAy H 1 3.926 0.000 A 11 GLY HAx H 1 3.864 0.000 A 12 SER H H 1 8.327 0.001 A 12 SER HA H 1 4.418 0.005 A 12 SER HBy H 1 3.872 0.000 A 12 SER HBx H 1 3.829 0.000 A 13 MET H H 1 8.389 0.001 A 13 MET HA H 1 4.496 0.005 A 13 MET HBy H 1 2.096 0.001 A 13 MET HBx H 1 1.973 0.000 A 13 MET HGx H 1 2.553 0.001 A 13 MET HGy H 1 2.553 0.001 A 14 SER H H 1 8.190 0.002 A 14 SER HBx H 1 3.738 0.002 A 14 SER HBy H 1 3.738 0.002 A 15 GLU H H 1 8.326 0.002 A 15 GLU HBx H 1 1.921 0.000 A 15 GLU HBy H 1 1.932 0.002 A 15 GLU HGx H 1 2.014 0.001 A 15 GLU HGy H 1 2.330 0.005 A 16 TYR H H 1 7.859 0.003 A 16 TYR HA H 1 5.041 0.001 A 16 TYR HBy H 1 2.650 0.001 A 16 TYR HBx H 1 2.570 0.003 A 16 TYR HD1 H 1 6.596 0.004 A 16 TYR HD2 H 1 6.596 0.004 A 17 ILE H H 1 8.869 0.002 A 17 ILE HA H 1 4.541 0.000 A 17 ILE HB H 1 1.382 0.003 A 17 ILE HD1% H 1 -0.526 0.002 A 17 ILE HG1y H 1 0.859 0.003 A 17 ILE HG1x H 1 0.083 0.002 A 17 ILE HG2% H 1 -0.250 0.002 A 18 ARG H H 1 8.639 0.006 A 18 ARG HA H 1 4.881 0.002 A 18 ARG HBy H 1 2.194 0.005 A 18 ARG HBx H 1 1.900 0.013 A 18 ARG HDy H 1 3.133 0.005 A 18 ARG HDx H 1 3.077 0.003 A 18 ARG HE H 1 7.041 0.003 A 18 ARG HGy H 1 1.443 0.004 A 18 ARG HGx H 1 1.379 0.003 A 19 VAL H H 1 8.927 0.002 A 19 VAL HA H 1 5.467 0.004 A 19 VAL HB H 1 1.739 0.003 A 19 VAL HGx% H 1 0.547 0.003 A 19 VAL HGy% H 1 0.748 0.003 A 20 THR H H 1 8.765 0.003 A 20 THR HA H 1 5.079 0.002 A 20 THR HB H 1 3.630 0.003 A 20 THR HG2% H 1 0.879 0.002 A 21 GLU H H 1 8.791 0.004 A 21 GLU HA H 1 4.191 0.005 A 21 GLU HBy H 1 2.307 0.004 A 21 GLU HBx H 1 2.067 0.004 A 21 GLU HGy H 1 2.550 0.005 A 21 GLU HGx H 1 2.446 0.001 A 22 ASP H H 1 7.905 0.003 A 22 ASP HA H 1 4.592 0.001 A 22 ASP HBx H 1 2.633 0.000 A 22 ASP HBy H 1 2.633 0.000 A 23 GLU H H 1 9.257 0.003 A 23 GLU HA H 1 3.887 0.003 A 23 GLU HBy H 1 2.010 0.002 A 23 GLU HBx H 1 1.919 0.003 A 23 GLU HGx H 1 2.200 0.001 A 23 GLU HGy H 1 2.200 0.001 A 24 ASN H H 1 8.819 0.002 A 24 ASN HBy H 1 2.825 0.003 A 24 ASN HBx H 1 2.643 0.006 A 24 ASN HD2y H 1 7.730 0.000 A 24 ASN HD2x H 1 6.873 0.001 A 25 ASP H H 1 8.022 0.001 A 25 ASP HA H 1 4.930 0.001 A 25 ASP HBy H 1 2.882 0.004 A 25 ASP HBx H 1 2.762 0.003 A 26 GLU H H 1 8.677 0.001 A 26 GLU HBx H 1 2.003 0.002 A 26 GLU HBy H 1 2.003 0.002 A 26 GLU HGx H 1 2.473 0.001 A 26 GLU HGy H 1 2.473 0.001 A 27 PRO HA H 1 4.719 0.000 A 27 PRO HBx H 1 1.857 0.004 A 27 PRO HBy H 1 1.947 0.002 A 27 PRO HDy H 1 3.983 0.004 A 27 PRO HDx H 1 3.667 0.003 A 28 ILE H H 1 9.229 0.003 A 28 ILE HA H 1 4.483 0.012 A 28 ILE HB H 1 1.921 0.002 A 28 ILE HD1% H 1 0.734 0.001 A 28 ILE HG1y H 1 1.468 0.000 A 28 ILE HG1x H 1 1.342 0.004 A 28 ILE HG2% H 1 0.892 0.002 A 29 GLU H H 1 8.203 0.003 A 29 GLU HA H 1 4.889 0.002 A 29 GLU HBy H 1 1.700 0.001 A 29 GLU HBx H 1 1.380 0.002 A 29 GLU HGy H 1 2.096 0.000 A 29 GLU HGx H 1 1.919 0.001 A 30 ILE H H 1 9.271 0.003 A 30 ILE HB H 1 1.782 0.005 A 30 ILE HD1% H 1 0.677 0.005 A 30 ILE HG1y H 1 1.351 0.003 A 30 ILE HG1x H 1 1.198 0.022 A 31 PRO HA H 1 4.383 0.004 A 31 PRO HBx H 1 1.650 0.005 A 31 PRO HBy H 1 2.339 0.001 A 31 PRO HDx H 1 3.567 0.002 A 31 PRO HDy H 1 3.702 0.005 A 31 PRO HGx H 1 1.908 0.006 A 31 PRO HGy H 1 2.067 0.010 A 32 SER H H 1 7.788 0.002 A 32 SER HA H 1 4.554 0.002 A 32 SER HBy H 1 3.874 0.004 A 32 SER HBx H 1 3.161 0.004 A 33 GLU H H 1 9.229 0.003 A 33 GLU HA H 1 4.309 0.004 A 33 GLU HBx H 1 2.069 0.003 A 33 GLU HBy H 1 2.069 0.003 A 33 GLU HGx H 1 2.189 0.002 A 33 GLU HGy H 1 2.189 0.002 A 34 ASP H H 1 9.038 0.002 A 34 ASP HA H 1 4.211 0.005 A 34 ASP HBx H 1 2.660 0.001 A 34 ASP HBy H 1 2.660 0.001 A 35 ASP H H 1 7.660 0.001 A 35 ASP HA H 1 4.488 0.000 A 35 ASP HBy H 1 3.051 0.000 A 35 ASP HBx H 1 2.544 0.000 A 36 GLY H H 1 8.209 0.001 A 36 GLY HAy H 1 4.336 0.000 A 36 GLY HAx H 1 3.888 0.000 A 37 THR H H 1 7.886 0.003 A 37 THR HB H 1 3.985 0.003 A 37 THR HG2% H 1 0.752 0.001 A 38 VAL H H 1 8.373 0.002 A 38 VAL HA H 1 4.357 0.002 A 38 VAL HB H 1 1.434 0.003 A 38 VAL HGx% H 1 0.083 0.002 A 38 VAL HGy% H 1 0.474 0.002 A 39 LEU H H 1 8.518 0.002 A 39 LEU HA H 1 4.489 0.004 A 39 LEU HBy H 1 2.006 0.006 A 39 LEU HBx H 1 1.666 0.005 A 39 LEU HDx% H 1 0.773 0.003 A 39 LEU HDy% H 1 0.789 0.002 A 39 LEU HG H 1 1.583 0.004 A 40 LEU H H 1 8.658 0.002 A 40 LEU HA H 1 3.948 0.005 A 40 LEU HBy H 1 1.876 0.002 A 40 LEU HBx H 1 1.059 0.002 A 40 LEU HDx% H 1 0.614 0.004 A 40 LEU HDy% H 1 0.586 0.001 A 40 LEU HG H 1 0.877 0.003 A 41 SER H H 1 8.732 0.002 A 41 SER HA H 1 4.363 0.007 A 41 SER HBy H 1 3.882 0.004 A 41 SER HBx H 1 3.759 0.003 A 42 THR H H 1 7.449 0.003 A 42 THR HA H 1 3.965 0.005 A 42 THR HB H 1 4.341 0.000 A 42 THR HG2% H 1 1.334 0.002 A 43 VAL H H 1 7.253 0.004 A 43 VAL HA H 1 3.578 0.004 A 43 VAL HB H 1 2.454 0.002 A 43 VAL HGx% H 1 0.791 0.003 A 43 VAL HGy% H 1 0.737 0.003 A 44 THR H H 1 9.174 0.003 A 44 THR HA H 1 4.177 0.007 A 44 THR HB H 1 4.377 0.009 A 44 THR HG2% H 1 1.315 0.002 A 45 ALA H H 1 7.282 0.002 A 45 ALA HA H 1 4.049 0.005 A 45 ALA HB% H 1 1.448 0.001 A 46 GLN H H 1 6.833 0.002 A 46 GLN HA H 1 4.123 0.006 A 46 GLN HBy H 1 1.625 0.003 A 46 GLN HBx H 1 1.592 0.005 A 46 GLN HE2x H 1 6.761 0.003 A 46 GLN HE2y H 1 7.367 0.002 A 46 GLN HGy H 1 2.545 0.007 A 46 GLN HGx H 1 2.067 0.003 A 47 PHE H H 1 8.327 0.001 A 47 PHE HA H 1 4.945 0.003 A 47 PHE HBy H 1 3.092 0.003 A 47 PHE HBx H 1 2.980 0.005 A 47 PHE HD1 H 1 7.220 0.023 A 47 PHE HD2 H 1 7.220 0.023 A 47 PHE HE1 H 1 7.098 0.002 A 47 PHE HE2 H 1 7.098 0.002 A 47 PHE HZ H 1 7.248 0.001 A 48 PRO HA H 1 4.450 0.001 A 48 PRO HBy H 1 2.276 0.041 A 48 PRO HBx H 1 1.891 0.017 A 48 PRO HDy H 1 3.653 0.006 A 48 PRO HDx H 1 3.246 0.004 A 48 PRO HGx H 1 1.959 0.001 A 48 PRO HGy H 1 2.045 0.012 A 49 GLY H H 1 8.817 0.002 A 49 GLY HAy H 1 4.437 0.000 A 49 GLY HAx H 1 3.658 0.004 A 50 ALA H H 1 7.935 0.002 A 50 ALA HA H 1 3.978 0.005 A 50 ALA HB% H 1 1.238 0.002 A 51 CYS H H 1 9.017 0.002 A 51 CYS HA H 1 4.955 0.003 A 51 CYS HBy H 1 3.272 0.003 A 51 CYS HBx H 1 2.520 0.003 A 52 GLY H H 1 7.379 0.027 A 52 GLY HAy H 1 4.363 0.001 A 52 GLY HAx H 1 3.631 0.001 A 53 LEU H H 1 8.962 0.001 A 53 LEU HA H 1 5.319 0.002 A 53 LEU HBy H 1 1.617 0.007 A 53 LEU HBx H 1 1.516 0.000 A 53 LEU HDx% H 1 0.804 0.003 A 53 LEU HDy% H 1 0.541 0.003 A 53 LEU HG H 1 1.389 0.009 A 54 ARG H H 1 9.492 0.004 A 54 ARG HA H 1 5.596 0.002 A 54 ARG HBx H 1 1.727 0.003 A 54 ARG HDx H 1 2.839 0.003 A 54 ARG HDy H 1 3.084 0.000 A 54 ARG HE H 1 6.957 0.003 A 54 ARG HGy H 1 1.203 0.012 A 55 TYR H H 1 8.959 0.002 A 55 TYR HA H 1 4.830 0.010 A 55 TYR HBy H 1 2.993 0.004 A 55 TYR HBx H 1 2.410 0.005 A 55 TYR HD1 H 1 6.788 0.001 A 55 TYR HD2 H 1 6.788 0.001 A 55 TYR HE1 H 1 6.559 0.009 A 55 TYR HE2 H 1 6.559 0.009 A 56 ARG H H 1 8.917 0.001 A 56 ARG HA H 1 4.265 0.000 A 56 ARG HBx H 1 1.541 0.002 A 56 ARG HBy H 1 1.541 0.002 A 56 ARG HDx H 1 3.074 0.001 A 56 ARG HDy H 1 3.074 0.001 A 56 ARG HE H 1 7.038 0.002 A 56 ARG HGx H 1 1.145 0.002 A 56 ARG HGy H 1 1.145 0.002 A 57 ASN H H 1 8.397 0.003 A 57 ASN HBy H 1 3.128 0.005 A 57 ASN HBx H 1 2.430 0.004 A 57 ASN HD2y H 1 7.648 0.003 A 57 ASN HD2x H 1 7.489 0.004 A 58 PRO HA H 1 4.286 0.004 A 58 PRO HBy H 1 2.315 0.001 A 58 PRO HBx H 1 2.007 0.004 A 58 PRO HDy H 1 4.134 0.006 A 58 PRO HDx H 1 3.925 0.008 A 58 PRO HGx H 1 2.081 0.003 A 58 PRO HGy H 1 2.081 0.003 A 59 VAL H H 1 7.951 0.002 A 59 VAL HA H 1 3.897 0.003 A 59 VAL HB H 1 2.147 0.001 A 59 VAL HGx% H 1 0.895 0.002 A 59 VAL HGy% H 1 0.958 0.001 A 60 SER H H 1 7.678 0.004 A 60 SER HA H 1 4.408 0.002 A 60 SER HBy H 1 4.043 0.007 A 60 SER HBx H 1 3.759 0.001 A 61 GLN H H 1 8.293 0.002 A 61 GLN HA H 1 3.854 0.005 A 61 GLN HBx H 1 2.122 0.003 A 61 GLN HBy H 1 2.122 0.003 A 61 GLN HE2y H 1 7.301 0.001 A 61 GLN HE2x H 1 6.694 0.002 A 61 GLN HGx H 1 2.313 0.000 A 61 GLN HGy H 1 2.313 0.000 A 62 CYS H H 1 7.653 0.005 A 62 CYS HA H 1 4.517 0.002 A 62 CYS HBy H 1 2.812 0.001 A 62 CYS HBx H 1 2.698 0.005 A 63 MET H H 1 8.725 0.003 A 63 MET HBy H 1 2.533 0.003 A 63 MET HBx H 1 2.420 0.002 A 63 MET HGy H 1 2.010 0.003 A 63 MET HGx H 1 1.923 0.002 A 64 ARG H H 1 9.001 0.003 A 64 ARG HA H 1 4.450 0.003 A 64 ARG HBx H 1 1.452 0.000 A 64 ARG HBy H 1 1.452 0.000 A 64 ARG HDx H 1 3.102 0.000 A 64 ARG HDy H 1 3.102 0.000 A 64 ARG HGx H 1 0.971 0.001 A 64 ARG HGy H 1 0.971 0.001 A 65 GLY H H 1 8.453 0.002 A 65 GLY HAx H 1 3.693 0.002 A 65 GLY HAy H 1 3.693 0.002 A 66 VAL H H 1 8.245 0.003 A 66 VAL HA H 1 4.183 0.009 A 66 VAL HB H 1 1.961 0.002 A 66 VAL HGx% H 1 1.176 0.004 A 66 VAL HGy% H 1 1.179 0.002 A 67 ARG H H 1 9.308 0.003 A 67 ARG HA H 1 4.026 0.005 A 67 ARG HBx H 1 1.743 0.002 A 67 ARG HDx H 1 2.989 0.000 A 67 ARG HDy H 1 3.102 0.002 A 67 ARG HGx H 1 1.592 0.003 A 67 ARG HGy H 1 1.592 0.003 A 68 LEU H H 1 8.261 0.005 A 68 LEU HA H 1 5.185 0.012 A 68 LEU HBy H 1 1.915 0.004 A 68 LEU HBx H 1 1.438 0.005 A 68 LEU HDx% H 1 0.694 0.001 A 68 LEU HDy% H 1 0.808 0.000 A 68 LEU HG H 1 0.982 0.001 A 69 VAL H H 1 9.049 0.003 A 69 VAL HA H 1 4.316 0.007 A 69 VAL HB H 1 2.013 0.002 A 69 VAL HGx% H 1 0.935 0.001 A 69 VAL HGy% H 1 0.802 0.001 A 70 GLU H H 1 9.605 0.002 A 70 GLU HA H 1 3.887 0.004 A 70 GLU HBy H 1 2.318 0.001 A 70 GLU HBx H 1 2.009 0.001 A 70 GLU HGx H 1 2.260 0.003 A 70 GLU HGy H 1 2.344 0.008 A 71 GLY H H 1 8.374 0.002 A 71 GLY HAy H 1 4.192 0.009 A 71 GLY HAx H 1 3.522 0.008 A 72 ILE H H 1 8.129 0.001 A 72 ILE HA H 1 4.212 0.009 A 72 ILE HB H 1 2.154 0.002 A 72 ILE HD1% H 1 0.812 0.003 A 72 ILE HG1y H 1 1.534 0.001 A 72 ILE HG1x H 1 1.039 0.002 A 72 ILE HG2% H 1 0.542 0.003 A 73 LEU H H 1 9.330 0.004 A 73 LEU HA H 1 5.184 0.002 A 73 LEU HBy H 1 2.208 0.007 A 73 LEU HBx H 1 1.299 0.003 A 73 LEU HDx% H 1 0.843 0.003 A 73 LEU HDy% H 1 0.584 0.003 A 73 LEU HG H 1 1.521 0.004 A 74 HIS H H 1 8.520 0.003 A 74 HIS HA H 1 4.590 0.007 A 74 HIS HBy H 1 2.983 0.004 A 74 HIS HBx H 1 2.675 0.002 A 74 HIS HD2 H 1 7.095 0.001 A 75 ALA H H 1 8.406 0.002 A 75 ALA HA H 1 1.718 0.007 A 75 ALA HB% H 1 -0.057 0.002 A 76 PRO HA H 1 4.268 0.003 A 76 PRO HBx H 1 1.578 0.005 A 76 PRO HBy H 1 1.592 0.000 A 76 PRO HDy H 1 2.917 0.003 A 76 PRO HDx H 1 2.429 0.003 A 76 PRO HGx H 1 1.788 0.011 A 76 PRO HGy H 1 2.303 0.004 A 77 ASP H H 1 8.419 0.003 A 77 ASP HA H 1 4.074 0.004 A 77 ASP HBy H 1 2.618 0.006 A 77 ASP HBx H 1 2.495 0.002 A 78 ALA H H 1 8.026 0.003 A 78 ALA HA H 1 4.237 0.002 A 78 ALA HB% H 1 1.367 0.001 A 79 GLY H H 1 7.882 0.001 A 79 GLY HAy H 1 4.353 0.001 A 79 GLY HAx H 1 3.340 0.004 A 80 TRP H H 1 8.377 0.001 A 80 TRP HA H 1 4.508 0.004 A 80 TRP HBy H 1 3.264 0.005 A 80 TRP HBx H 1 3.070 0.005 A 80 TRP HD1 H 1 7.169 0.001 A 80 TRP HE1 H 1 10.072 0.002 A 80 TRP HE3 H 1 7.030 0.002 A 80 TRP HH2 H 1 6.298 0.004 A 80 TRP HZ2 H 1 6.950 0.002 A 80 TRP HZ3 H 1 5.998 0.006 A 81 GLY H H 1 8.504 0.001 A 81 GLY HAx H 1 3.850 0.001 A 81 GLY HAy H 1 3.850 0.001 A 82 ASN H H 1 8.774 0.002 A 82 ASN HA H 1 5.052 0.000 A 82 ASN HBy H 1 2.882 0.004 A 82 ASN HBx H 1 2.715 0.004 A 82 ASN HD2y H 1 7.539 0.022 A 82 ASN HD2x H 1 6.820 0.007 A 83 LEU H H 1 6.874 0.002 A 83 LEU HA H 1 4.131 0.006 A 83 LEU HBy H 1 1.439 0.004 A 83 LEU HBx H 1 1.060 0.001 A 83 LEU HDx% H 1 0.768 0.001 A 83 LEU HDy% H 1 0.864 0.001 A 83 LEU HG H 1 1.652 0.000 A 84 VAL H H 1 7.819 0.001 A 84 VAL HA H 1 4.048 0.005 A 84 VAL HB H 1 1.800 0.002 A 84 VAL HGx% H 1 0.851 0.001 A 84 VAL HGy% H 1 0.724 0.001 A 85 TYR H H 1 8.868 0.001 A 85 TYR HA H 1 4.669 0.000 A 85 TYR HBy H 1 2.948 0.007 A 85 TYR HBx H 1 2.751 0.003 A 85 TYR HD1 H 1 7.048 0.002 A 85 TYR HD2 H 1 7.048 0.002 A 85 TYR HE1 H 1 6.763 0.003 A 85 TYR HE2 H 1 6.763 0.003 A 86 VAL H H 1 9.452 0.002 A 86 VAL HB H 1 1.602 0.003 A 86 VAL HGx% H 1 0.666 0.001 A 86 VAL HGy% H 1 0.816 0.002 A 87 VAL H H 1 7.868 0.003 A 87 VAL HA H 1 3.740 0.001 A 87 VAL HB H 1 1.346 0.001 A 87 VAL HGx% H 1 0.090 0.003 A 87 VAL HGy% H 1 0.098 0.001 A 88 ASN H H 1 7.767 0.003 A 88 ASN HBy H 1 2.405 0.005 A 88 ASN HBx H 1 2.027 0.003 A 88 ASN HD2x H 1 6.248 0.004 A 88 ASN HD2y H 1 7.128 0.001 A 89 TYR H H 1 8.025 0.000 A 89 TYR HA H 1 4.491 0.003 A 89 TYR HBy H 1 2.540 0.037 A 89 TYR HBx H 1 2.473 0.004 A 89 TYR HD1 H 1 6.975 0.003 A 89 TYR HD2 H 1 6.975 0.003 A 89 TYR HE1 H 1 6.764 0.002 A 89 TYR HE2 H 1 6.764 0.002 A 92 ASP H H 1 8.259 0.001 A 92 ASP HA H 1 4.537 0.001 A 92 ASP HBx H 1 2.680 0.000 A 92 ASP HBy H 1 2.680 0.000 A 93 ASN H H 1 8.124 0.001 A 93 ASN HA H 1 4.580 0.000 A 93 ASN HBy H 1 2.748 0.002 A 93 ASN HBx H 1 2.715 0.002 A 94 LYS H H 1 8.207 0.000 A 94 LYS N N 15 4.256 0.000 A 95 ARG H H 1 8.095 0.001 A 95 ARG HA H 1 4.197 0.005 A 95 ARG HBx H 1 1.765 0.007 A 95 ARG HDx H 1 3.267 0.000 A 95 ARG HDy H 1 3.267 0.000 A 95 ARG HGy H 1 1.685 0.001 A 95 ARG HGx H 1 1.617 0.000 A 98 ASP H H 1 8.326 0.001 A 98 ASP HA H 1 4.568 0.000 A 98 ASP HBx H 1 2.651 0.002 A 98 ASP HBy H 1 2.651 0.002 A 100 THR H H 1 8.210 0.000 A 100 THR HG2% H 1 1.157 0.001 A 102 ALA H H 1 8.289 0.001 A 102 ALA HB% H 1 1.369 0.000 A 104 SER H H 1 8.091 0.002 A 104 SER HA H 1 4.368 0.006 A 104 SER HBy H 1 3.885 0.002 A 104 SER HBx H 1 3.830 0.000 A 105 ALA H H 1 8.079 0.001 A 105 ALA HB% H 1 1.345 0.001 A 106 VAL H H 1 8.206 0.003 A 106 VAL HB H 1 2.182 0.001 A 106 VAL HGx% H 1 0.893 0.002 A 106 VAL HGy% H 1 0.734 0.002 A 108 VAL H H 1 7.983 0.001 A 108 VAL HA H 1 4.005 0.001 A 108 VAL HB H 1 1.985 0.001 A 108 VAL HGx% H 1 0.882 0.000 A 109 LYS H H 1 8.325 0.003 A 109 LYS HDx H 1 1.692 0.003 A 109 LYS HDy H 1 1.692 0.003 A 111 ALA H H 1 8.337 0.001 A 111 ALA HB% H 1 1.323 0.000 A 112 VAL H H 1 8.091 0.003 A 112 VAL HA H 1 4.277 0.003 A 112 VAL HB H 1 1.993 0.003 A 112 VAL HGx% H 1 0.885 0.005 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 18 ARG H A 18 ARG HBx 1.0 . 4.01 2 2 A 54 ARG H A 66 VAL HGy% 1.0 . 5.47 3 3 A 47 PHE HA A 47 PHE HD% 1.0 . 3.39 4 4 A 30 ILE H A 30 ILE HG1y 1.0 . 4.05 5 5 A 54 ARG H A 53 LEU HA 1.0 . 3.39 6 6 A 68 LEU HA A 69 VAL H 1.0 . 3.00 7 7 A 16 TYR HA A 17 ILE H 1.0 . 3.37 8 8 A 19 VAL HA A 20 THR H 1.0 . 3.30 9 9 A 54 ARG HA A 66 VAL H 1.0 . 4.44 10 10 A 88 ASN HA A 89 TYR H 1.0 . 3.54 11 11 A 87 VAL HA A 88 ASN H 1.0 . 3.18 12 12 A 86 VAL HA A 87 VAL H 1.0 . 3.07 13 13 A 53 LEU HA A 88 ASN H 1.0 . 4.42 14 14 A 30 ILE H A 29 GLU HA 1.0 . 3.29 15 15 A 27 PRO HA A 28 ILE H 1.0 . 3.11 16 16 A 66 VAL HA A 67 ARG H 1.0 . 3.49 17 17 A 40 LEU H A 72 ILE HA 1.0 . 4.11 18 18 A 37 THR HB A 38 VAL H 1.0 . 3.35 19 19 A 83 LEU HA A 84 VAL H 1.0 . 3.21 20 20 A 16 TYR HA A 32 SER H 1.0 . 4.00 21 21 A 18 ARG H A 18 ARG HBy 1.0 . 3.99 22 22 A 18 ARG HA A 19 VAL H 1.0 . 3.28 23 23 A 56 ARG H A 85 TYR HA 1.0 . 4.86 24 24 A 17 ILE H A 17 ILE HD1% 1.0 . 4.96 25 25 A 19 VAL H A 17 ILE HD1% 1.0 . 5.33 26 26 A 17 ILE H A 17 ILE HG2% 1.0 . 4.14 27 27 A 19 VAL H A 17 ILE HG1y 1.0 . 3.98 28 28 A 68 LEU HA A 72 ILE H 1.0 . 5.50 29 29 A 72 ILE H A 73 LEU HA 1.0 . 5.50 30 30 A 72 ILE H A 72 ILE HB 1.0 . 3.40 31 31 A 72 ILE H A 72 ILE HG1x 1.0 . 4.11 32 32 A 72 ILE H A 72 ILE HG2% 1.0 . 4.27 33 33 A 20 THR H A 27 PRO HA 1.0 . 4.03 34 34 A 20 THR HA A 47 PHE HZ 1.0 . 4.25 35 35 A 20 THR HA A 47 PHE HE% 1.0 . 4.36 36 36 A 20 THR HA A 85 TYR HD% 1.0 . 4.64 37 37 A 47 PHE HA A 47 PHE HE% 1.0 . 5.01 38 38 A 85 TYR HA A 85 TYR HD% 1.0 . 4.07 39 39 A 85 TYR HA A 86 VAL H 1.0 . 3.21 40 40 A 73 LEU H A 73 LEU HBy 1.0 . 3.82 41 41 A 67 ARG H A 67 ARG HGx 1.0 . 4.59 42 41 A 67 ARG H A 67 ARG HGy 1.0 . 4.59 43 42 A 73 LEU H A 73 LEU HG 1.0 . 4.07 44 43 A 54 ARG H A 86 VAL HGx% 1.0 . 4.37 45 44 A 56 ARG H A 55 TYR HBx 1.0 . 3.88 46 45 A 28 ILE H A 20 THR HA 1.0 . 4.65 47 46 A 17 ILE HD1% A 80 TRP HZ2 1.0 . 4.77 48 47 A 17 ILE HD1% A 80 TRP HD1 1.0 . 4.97 49 48 A 17 ILE HG2% A 80 TRP HD1 1.0 . 4.63 50 49 A 17 ILE HG2% A 80 TRP HZ2 1.0 . 4.89 51 50 A 80 TRP HZ2 A 75 ALA HB% 1.0 . 4.17 52 51 A 43 VAL H A 44 THR H 1.0 . 3.75 53 52 A 44 THR H A 45 ALA H 1.0 . 3.95 54 53 A 33 GLU H A 38 VAL HA 1.0 . 4.14 55 54 A 43 VAL HA A 47 PHE H 1.0 . 4.72 56 55 A 84 VAL HA A 85 TYR H 1.0 . 3.14 57 56 A 48 PRO HA A 50 ALA H 1.0 . 5.12 58 57 A 55 TYR H A 55 TYR HD% 1.0 . 3.89 59 58 A 85 TYR HD% A 85 TYR H 1.0 . 3.73 60 59 A 54 ARG H A 85 TYR HD% 1.0 . 4.87 61 60 A 85 TYR HD% A 86 VAL H 1.0 . 5.35 62 61 A 39 LEU H A 38 VAL HGx% 1.0 . 4.32 63 62 A 73 LEU H A 68 LEU HDy% 1.0 . 5.50 64 63 A 19 VAL H A 19 VAL HGy% 1.0 . 4.26 65 64 A 72 ILE H A 68 LEU HDy% 1.0 . 3.74 66 65 A 40 LEU H A 72 ILE HG2% 1.0 . 4.30 67 66 A 69 VAL H A 73 LEU HDy% 1.0 . 4.80 68 67 A 20 THR H A 19 VAL HGx% 1.0 . 4.51 69 68 A 20 THR H A 84 VAL HGy% 1.0 . 4.89 70 69 A 38 VAL H A 38 VAL HGy% 1.0 . 4.53 71 70 A 37 THR HG2% A 74 HIS H 1.0 . 4.67 72 71 A 38 VAL H A 37 THR HG2% 1.0 . 5.04 73 72 A 84 VAL H A 84 VAL HGx% 1.0 . 4.29 74 73 A 84 VAL H A 83 LEU HBx 1.0 . 4.20 75 74 A 84 VAL H A 83 LEU HDx% 1.0 . 4.52 76 75 A 88 ASN H A 87 VAL HB 1.0 . 4.34 77 76 A 74 HIS H A 67 ARG HGx 1.0 . 4.54 78 76 A 67 ARG HGy A 74 HIS H 1.0 . 4.54 79 77 A 74 HIS H A 73 LEU HBx 1.0 . 4.95 80 78 A 17 ILE H A 30 ILE HG1x 1.0 . 5.02 81 79 A 18 ARG H A 17 ILE HG1x 1.0 . 4.43 82 80 A 40 LEU H A 72 ILE HG1x 1.0 . 3.58 83 81 A 54 ARG H A 53 LEU HBx 1.0 . 4.32 84 82 A 86 VAL H A 86 VAL HB 1.0 . 3.66 85 83 A 84 VAL H A 84 VAL HGy% 1.0 . 4.29 86 84 A 55 TYR H A 54 ARG HBx 1.0 . 4.23 87 85 A 23 GLU H A 23 GLU HBy 1.0 . 3.94 88 85 A 23 GLU H A 23 GLU HBx 1.0 . 3.94 89 86 A 28 ILE H A 27 PRO HBx 1.0 . 4.08 90 87 A 44 THR HG2% A 49 GLY H 1.0 . 4.73 91 88 A 53 LEU H A 53 LEU HG 1.0 . 4.34 92 89 A 44 THR H A 50 ALA HB% 1.0 . 5.50 93 90 A 32 SER H A 31 PRO HBx 1.0 . 4.55 94 90 A 32 SER H A 31 PRO HBy 1.0 . 4.55 95 91 A 38 VAL H A 73 LEU HBy 1.0 . 4.38 96 92 A 74 HIS H A 73 LEU HBy 1.0 . 4.64 97 93 A 40 LEU H A 72 ILE HB 1.0 . 5.50 98 94 A 37 THR H A 33 GLU HGx 1.0 . 5.50 99 94 A 33 GLU HGy A 37 THR H 1.0 . 5.50 100 95 A 28 ILE H A 20 THR HB 1.0 . 4.38 101 96 A 73 LEU H A 39 LEU HA 1.0 . 4.51 102 97 A 88 ASN HA A 51 CYS H 1.0 . 5.50 103 98 A 38 VAL HA A 39 LEU H 1.0 . 3.28 104 99 A 32 SER H A 31 PRO HA 1.0 . 3.42 105 100 A 47 PHE HD% A 47 PHE H 1.0 . 3.97 106 101 A 18 ARG H A 80 TRP HE3 1.0 . 5.31 107 102 A 80 TRP HD1 A 81 GLY H 1.0 . 5.34 108 103 A 74 HIS HE1 A 75 ALA H 1.0 . 4.07 109 104 A 69 VAL H A 72 ILE H 1.0 . 3.95 110 105 A 38 VAL H A 73 LEU H 1.0 . 4.36 111 106 A 28 ILE H A 19 VAL H 1.0 . 4.11 112 107 A 30 ILE H A 17 ILE H 1.0 . 4.33 113 108 A 65 GLY H A 64 ARG HDx 1.0 . 4.57 114 109 A 42 THR H A 43 VAL HGy% 1.0 . 4.52 115 110 A 42 THR H A 42 THR HG2% 1.0 . 4.35 116 111 A 47 PHE HZ A 30 ILE HG1y 1.0 . 4.10 117 112 A 43 VAL H A 42 THR HG2% 1.0 . 4.40 118 113 A 47 PHE HZ A 19 VAL HGy% 1.0 . 3.70 119 114 A 47 PHE HE% A 19 VAL HGy% 1.0 . 3.50 120 115 A 85 TYR HD% A 19 VAL HGy% 1.0 . 3.88 121 116 A 55 TYR HD% A 83 LEU HDy% 1.0 . 4.78 122 117 A 47 PHE HZ A 28 ILE HG2% 1.0 . 4.23 123 118 A 80 TRP HH2 A 38 VAL HGy% 1.0 . 4.81 124 119 A 80 TRP HZ2 A 38 VAL HGy% 1.0 . 4.37 125 120 A 80 TRP HZ2 A 37 THR HG2% 1.0 . 4.41 126 121 A 47 PHE HE% A 28 ILE HG2% 1.0 . 4.17 127 122 A 28 ILE HG2% A 46 GLN H 1.0 . 5.50 128 123 A 83 LEU H A 83 LEU HDy% 1.0 . 4.74 129 124 A 55 TYR HD% A 66 VAL HGy% 1.0 . 3.44 130 125 A 55 TYR HD% A 83 LEU HG 1.0 . 3.83 131 126 A 80 TRP HH2 A 66 VAL HGx% 1.0 . 3.23 132 127 A 55 TYR HE% A 64 ARG HGx 1.0 . 4.76 133 127 A 55 TYR HE% A 64 ARG HGy 1.0 . 4.76 134 128 A 80 TRP HH2 A 73 LEU HBx 1.0 . 3.63 135 129 A 80 TRP HH2 A 38 VAL HB 1.0 . 4.36 136 130 A 53 LEU HG A 85 TYR HE% 1.0 . 4.22 137 131 A 87 VAL HB A 85 TYR HE% 1.0 . 4.70 138 132 A 50 ALA HB% A 85 TYR HE% 1.0 . 3.98 139 133 A 80 TRP HZ2 A 38 VAL HB 1.0 . 4.00 140 134 A 67 ARG HE A 67 ARG HGx 1.0 . 4.14 141 134 A 67 ARG HGy A 67 ARG HE 1.0 . 4.14 142 135 A 47 PHE HD% A 50 ALA HB% 1.0 . 4.16 143 136 A 80 TRP HD1 A 17 ILE HB 1.0 . 5.22 144 137 A 47 PHE HD% A 46 GLN HBy 1.0 . 4.18 145 138 A 47 PHE HZ A 46 GLN HBy 1.0 . 4.78 146 139 A 47 PHE HD% A 46 GLN HBx 1.0 . 4.75 147 140 A 64 ARG HE A 76 PRO HBx 1.0 . 4.46 148 140 A 64 ARG HE A 76 PRO HBy 1.0 . 4.46 149 141 A 16 TYR HD% A 18 ARG HGx 1.0 . 4.18 150 142 A 16 TYR HD% A 29 GLU HBx 1.0 . 4.68 151 143 A 16 TYR HD% A 18 ARG HGy 1.0 . 4.18 152 144 A 55 TYR HE% A 76 PRO HBx 1.0 . 4.03 153 144 A 55 TYR HE% A 76 PRO HBy 1.0 . 4.03 154 145 A 47 PHE HZ A 19 VAL HB 1.0 . 4.87 155 146 A 85 TYR HD% A 19 VAL HB 1.0 . 3.61 156 147 A 55 TYR HD% A 83 LEU HDx% 1.0 . 4.78 157 148 A 80 TRP HH2 A 73 LEU HBy 1.0 . 4.04 158 149 A 47 PHE HZ A 28 ILE HB 1.0 . 5.09 159 150 A 47 PHE HE% A 28 ILE HB 1.0 . 4.62 160 151 A 67 ARG HE A 69 VAL HB 1.0 . 3.70 161 152 A 47 PHE HD% A 21 GLU HBy 1.0 . 4.11 162 153 A 47 PHE HE% A 21 GLU HBy 1.0 . 4.11 163 154 A 43 VAL H A 43 VAL HB 1.0 . 3.35 164 155 A 85 TYR HE% A 21 GLU HBy 1.0 . 4.28 165 156 A 16 TYR HD% A 18 ARG HBx 1.0 . 5.21 166 157 A 55 TYR HE% A 76 PRO HGx 1.0 . 4.51 167 158 A 80 TRP HZ2 A 73 LEU HBy 1.0 . 4.57 168 159 A 85 TYR HE% A 21 GLU HBx 1.0 . 4.83 169 160 A 16 TYR HD% A 18 ARG HBy 1.0 . 3.78 170 161 A 55 TYR HE% A 76 PRO HGy 1.0 . 4.33 171 162 A 16 TYR HD% A 29 GLU HBy 1.0 . 4.68 172 163 A 85 TYR HD% A 53 LEU HBx 1.0 . 4.74 173 164 A 64 ARG HE A 64 ARG HBx 1.0 . 4.60 174 164 A 64 ARG HE A 64 ARG HBy 1.0 . 4.60 175 165 A 55 TYR HD% A 76 PRO HBx 1.0 . 4.52 176 165 A 55 TYR HD% A 76 PRO HBy 1.0 . 4.52 177 166 A 85 TYR HD% A 21 GLU HGy 1.0 . 5.05 178 167 A 47 PHE HE% A 21 GLU HGx 1.0 . 5.50 179 168 A 80 TRP HE3 A 76 PRO HDx 1.0 . 4.77 180 169 A 85 TYR HE% A 21 GLU HGy 1.0 . 4.33 181 170 A 85 TYR HE% A 47 PHE HBx 1.0 . 4.62 182 171 A 52 GLY H A 88 ASN HBy 1.0 . 5.37 183 172 A 52 GLY H A 88 ASN HBx 1.0 . 5.37 184 173 A 80 TRP HD1 A 79 GLY HAx 1.0 . 5.50 185 174 A 80 TRP HD1 A 80 TRP HBy 1.0 . 3.80 186 175 A 47 PHE HD% A 43 VAL HA 1.0 . 3.93 187 176 A 43 VAL H A 40 LEU HA 1.0 . 4.18 188 177 A 55 TYR HE% A 65 GLY HAx 1.0 . 4.66 189 177 A 55 TYR HE% A 65 GLY HAy 1.0 . 4.66 190 178 A 87 VAL HA A 85 TYR HE% 1.0 . 3.94 191 179 A 50 ALA HA A 89 TYR HD% 1.0 . 3.59 192 180 A 80 TRP HD1 A 32 SER HBy 1.0 . 4.89 193 181 A 85 TYR HD% A 84 VAL HA 1.0 . 4.51 194 182 A 43 VAL H A 42 THR HB 1.0 . 3.60 195 183 A 80 TRP HE3 A 80 TRP HA 1.0 . 3.42 196 184 A 89 TYR HD% A 89 TYR HA 1.0 . 3.74 197 185 A 89 TYR HD% A 49 GLY HAx 1.0 . 4.32 198 186 A 89 TYR HE% A 49 GLY HAx 1.0 . 4.10 199 187 A 66 VAL HA A 55 TYR HE% 1.0 . 3.74 200 188 A 55 TYR HE% A 55 TYR HA 1.0 . 4.37 201 189 A 55 TYR HD% A 55 TYR HA 1.0 . 4.09 202 190 A 80 TRP HZ2 A 37 THR HA 1.0 . 3.42 203 191 A 80 TRP HZ2 A 74 HIS HA 1.0 . 4.17 204 192 A 6 HIS HA A 6 HIS HD2 1.0 . 4.07 205 193 A 47 PHE HD% A 21 GLU HA 1.0 . 5.50 206 194 A 47 PHE HD% A 44 THR HA 1.0 . 5.50 207 195 A 16 TYR HA A 16 TYR HD% 1.0 . 3.98 208 196 A 18 ARG HA A 16 TYR HD% 1.0 . 4.76 209 197 A 29 GLU HA A 16 TYR HD% 1.0 . 5.10 210 198 A 54 ARG HA A 55 TYR HD% 1.0 . 4.90 211 199 A 42 THR H A 42 THR HB 1.0 . 3.84 212 200 A 45 ALA H A 46 GLN H 1.0 . 3.97 213 201 A 89 TYR H A 89 TYR HD% 1.0 . 4.57 214 202 A 47 PHE H A 46 GLN H 1.0 . 3.62 215 203 A 69 VAL H A 67 ARG HE 1.0 . 4.41 216 204 A 30 ILE H A 16 TYR HD% 1.0 . 5.13 217 205 A 67 ARG H A 55 TYR HE% 1.0 . 5.42 218 206 A 17 ILE H A 16 TYR HD% 1.0 . 4.67 219 207 A 17 ILE HD1% A 80 TRP HZ3 1.0 . 4.46 220 208 A 80 TRP HZ3 A 17 ILE HG1y 1.0 . 5.50 221 209 A 17 ILE HG2% A 80 TRP HZ3 1.0 . 5.50 222 210 A 80 TRP HZ3 A 19 VAL HGy% 1.0 . 5.44 223 211 A 80 TRP HZ3 A 66 VAL HGx% 1.0 . 3.31 224 212 A 80 TRP HZ3 A 66 VAL HGy% 1.0 . 3.69 225 213 A 80 TRP HZ3 A 75 ALA HA 1.0 . 4.66 226 214 A 73 LEU HG A 80 TRP HH2 1.0 . 4.72 227 215 A 75 ALA HB% A 79 GLY HAx 1.0 . 4.07 228 216 A 19 VAL HGy% A 85 TYR HBx 1.0 . 3.99 229 217 A 85 TYR HBy A 66 VAL HGy% 1.0 . 3.75 230 218 A 23 GLU HA A 84 VAL HGy% 1.0 . 4.36 231 219 A 18 ARG HDx A 18 ARG HBy 1.0 . 3.74 232 219 A 18 ARG HBy A 18 ARG HDy 1.0 . 3.74 233 220 A 64 ARG HDx A 76 PRO HGy 1.0 . 4.65 234 221 A 64 ARG HDy A 76 PRO HGy 1.0 . 4.65 235 222 A 18 ARG HDx A 18 ARG HBx 1.0 . 4.10 236 222 A 18 ARG HBx A 18 ARG HDy 1.0 . 4.10 237 223 A 30 ILE HA A 31 PRO HDx 1.0 . 3.70 238 223 A 30 ILE HA A 31 PRO HDy 1.0 . 3.70 239 224 A 27 PRO HA A 20 THR HB 1.0 . 3.37 240 225 A 47 PHE HA A 48 PRO HDy 1.0 . 3.64 241 226 A 47 PHE HA A 48 PRO HDx 1.0 . 3.63 242 227 A 17 ILE HA A 80 TRP HBx 1.0 . 3.89 243 228 A 53 LEU HA A 87 VAL HA 1.0 . 3.99 244 229 A 80 TRP HZ3 A 76 PRO HDy 1.0 . 5.33 245 230 A 53 LEU HA A 53 LEU HG 1.0 . 4.18 246 231 A 54 ARG HA A 66 VAL HGy% 1.0 . 5.01 247 232 A 80 TRP HZ3 A 76 PRO HDx 1.0 . 4.91 248 233 A 39 LEU HA A 72 ILE HG1y 1.0 . 4.82 249 234 A 48 PRO HA A 44 THR HG2% 1.0 . 4.79 250 235 A 44 THR HG2% A 44 THR HA 1.0 . 3.39 251 236 A 50 ALA HB% A 44 THR HA 1.0 . 4.40 252 237 A 43 VAL HA A 42 THR HG2% 1.0 . 3.91 253 238 A 42 THR HA A 45 ALA HB% 1.0 . 3.60 254 239 A 42 THR HG2% A 42 THR HA 1.0 . 3.18 255 240 A 77 ASP HA A 76 PRO HBx 1.0 . 4.41 256 240 A 76 PRO HBy A 77 ASP HA 1.0 . 4.41 257 241 A 52 GLY HAx A 88 ASN HBx 1.0 . 4.66 258 242 A 43 VAL HB A 40 LEU HA 1.0 . 4.04 259 243 A 23 GLU HA A 23 GLU HGx 1.0 . 3.49 260 243 A 23 GLU HA A 23 GLU HGy 1.0 . 3.49 261 244 A 61 GLN HA A 61 GLN HGx 1.0 . 4.00 262 244 A 61 GLN HA A 61 GLN HGy 1.0 . 4.00 263 245 A 43 VAL HA A 46 GLN HBy 1.0 . 5.12 264 246 A 20 THR HB A 27 PRO HBx 1.0 . 4.92 265 247 A 44 THR HA A 47 PHE HBy 1.0 . 4.51 266 248 A 65 GLY HAy A 54 ARG HDx 1.0 . 5.18 267 248 A 54 ARG HDx A 65 GLY HAx 1.0 . 5.18 268 249 A 80 TRP HA A 76 PRO HDx 1.0 . 4.75 269 250 A 21 GLU HA A 21 GLU HGx 1.0 . 4.17 270 251 A 42 THR HG2% A 30 ILE HA 1.0 . 5.13 271 252 A 36 GLY HAy A 15 GLU HBy 1.0 . 5.50 272 253 A 75 ALA HA A 79 GLY HAy 1.0 . 5.50 273 254 A 79 GLY HAy A 76 PRO HGy 1.0 . 5.50 274 255 A 52 GLY HAx A 68 LEU HG 1.0 . 5.44 275 256 A 58 PRO HA A 59 VAL HGx% 1.0 . 5.50 276 257 A 23 GLU HA A 84 VAL HGx% 1.0 . 4.36 277 258 A 59 VAL HA A 59 VAL HGy% 1.0 . 3.79 278 259 A 68 LEU HDy% A 71 GLY HAx 1.0 . 3.79 279 260 A 30 ILE HG21 A 31 PRO HDx 1.0 . 4.16 280 260 A 31 PRO HDy A 30 ILE HG21 1.0 . 4.16 281 261 A 52 GLY HAy A 73 LEU HDx% 1.0 . 4.04 282 262 A 37 THR HB A 72 ILE HG2% 1.0 . 3.02 283 263 A 72 ILE HA A 72 ILE HG2% 1.0 . 3.47 284 264 A 32 SER HA A 38 VAL HGy% 1.0 . 4.51 285 265 A 28 ILE HA A 28 ILE HD1% 1.0 . 4.24 286 266 A 42 THR HA A 30 ILE HG21 1.0 . 5.00 287 267 A 70 GLU HA A 68 LEU HDx% 1.0 . 4.53 288 268 A 37 THR HG2% A 74 HIS HA 1.0 . 3.77 289 269 A 52 GLY HAx A 73 LEU HDx% 1.0 . 5.27 290 270 A 29 GLU HA A 28 ILE HD1% 1.0 . 4.40 291 271 A 74 HIS HA A 66 VAL HGx% 1.0 . 4.82 292 272 A 74 HIS HA A 75 ALA HA 1.0 . 4.84 293 273 A 20 THR HA A 28 ILE HG2% 1.0 . 3.94 294 274 A 73 LEU HA A 73 LEU HDy% 1.0 . 3.21 295 275 A 73 LEU HA A 72 ILE HG2% 1.0 . 4.62 296 276 A 53 LEU HA A 53 LEU HDy% 1.0 . 4.35 297 277 A 19 VAL HA A 28 ILE HG2% 1.0 . 5.24 298 278 A 20 THR HA A 19 VAL HGy% 1.0 . 4.83 299 279 A 55 TYR HD% A 19 VAL HGx% 1.0 . 4.54 300 280 A 55 TYR HE% A 19 VAL HGx% 1.0 . 4.08 301 281 A 47 PHE HE% A 43 VAL HGx% 1.0 . 4.75 302 282 A 47 PHE HE% A 43 VAL HGy% 1.0 . 4.67 303 283 A 85 TYR HD% A 19 VAL HGx% 1.0 . 4.67 304 284 A 47 PHE HE% A 30 ILE HD1% 1.0 . 3.52 305 285 A 80 TRP HH2 A 75 ALA HA 1.0 . 4.84 306 286 A 88 ASN H A 88 ASN HBy 1.0 . 4.11 307 287 A 72 ILE HG2% A 37 THR H 1.0 . 4.58 308 288 A 17 ILE HG2% A 80 TRP HE3 1.0 . 5.36 309 289 A 18 ARG H A 17 ILE HG2% 1.0 . 4.44 310 290 A 39 LEU H A 38 VAL HGy% 1.0 . 4.32 311 291 A 86 VAL H A 86 VAL HGx% 1.0 . 3.80 312 292 A 69 VAL H A 69 VAL HGy% 1.0 . 4.02 313 293 A 39 LEU H A 39 LEU HG 1.0 . 4.63 314 294 A 40 LEU H A 68 LEU HDy% 1.0 . 5.50 315 295 A 28 ILE H A 28 ILE HG1x 1.0 . 4.88 316 296 A 44 THR H A 43 VAL HB 1.0 . 3.49 317 297 A 54 ARG H A 85 TYR HBy 1.0 . 5.16 318 298 A 86 VAL H A 85 TYR HBy 1.0 . 5.38 319 299 A 56 ARG H A 57 ASN HBy 1.0 . 5.32 320 300 A 40 LEU H A 43 VAL HB 1.0 . 5.15 321 301 A 47 PHE HD% A 21 GLU HBx 1.0 . 5.46 322 302 A 64 ARG HE A 76 PRO HGx 1.0 . 5.42 323 303 A 55 TYR HE% A 66 VAL HB 1.0 . 5.29 324 304 A 32 SER HBy A 38 VAL HGx% 1.0 . 5.61 325 305 A 17 ILE HG2% A 19 VAL HGx% 1.0 . 4.62 326 306 A 17 ILE HG2% A 43 VAL HGy% 1.0 . 4.95 327 307 A 17 ILE HD1% A 38 VAL HB 1.0 . 4.34 328 308 A 68 LEU HG A 73 LEU HDx% 1.0 . 3.56 329 309 A 72 ILE HG2% A 72 ILE HG1x 1.0 . 3.86 330 310 A 73 LEU HDx% A 66 VAL HGx% 1.0 . 4.13 331 311 A 17 ILE HG2% A 17 ILE HG1y 1.0 . 3.67 332 312 A 17 ILE HD1% A 17 ILE HG2% 1.0 . 3.23 333 313 A 17 ILE HG2% A 38 VAL HB 1.0 . 4.49 334 314 A 66 VAL HB A 53 LEU HBy 1.0 . 3.80 335 315 A 78 ALA HB% A 76 PRO HBx 1.0 . 3.74 336 315 A 76 PRO HBy A 78 ALA HB% 1.0 . 3.74 337 316 A 72 ILE HG2% A 72 ILE HG1y 1.0 . 3.49 338 317 A 28 ILE HB A 28 ILE HD1% 1.0 . 3.58 339 318 A 73 LEU HG A 68 LEU HDy% 1.0 . 4.13 340 319 A 73 LEU HBy A 73 LEU HDy% 1.0 . 3.62 341 320 A 30 ILE HG21 A 46 GLN HGx 1.0 . 4.36 342 321 A 73 LEU HBy A 68 LEU HDy% 1.0 . 4.47 343 322 A 70 GLU HGy A 69 VAL HGx% 1.0 . 3.67 344 322 A 69 VAL HGx% A 70 GLU HGx 1.0 . 3.67 345 323 A 38 VAL HB A 73 LEU HBy 1.0 . 3.53 346 324 A 43 VAL HB A 40 LEU HBx 1.0 . 5.08 347 325 A 55 TYR HBy A 54 ARG HBy 1.0 . 5.50 348 326 A 43 VAL HB A 40 LEU HBy 1.0 . 5.08 349 327 A 72 ILE HG2% A 74 HIS HBy 1.0 . 4.57 350 328 A 85 TYR HBy A 19 VAL HGy% 1.0 . 5.04 351 329 A 19 VAL HB A 85 TYR HBy 1.0 . 4.67 352 330 A 75 ALA HA A 76 PRO HDy 1.0 . 3.75 353 331 A 80 TRP HBx A 18 ARG HBy 1.0 . 5.04 354 332 A 53 LEU HBx A 85 TYR HBx 1.0 . 4.39 355 333 A 17 ILE HA A 17 ILE HG1y 1.0 . 3.50 356 334 A 32 SER HA A 38 VAL HGx% 1.0 . 4.51 357 335 A 75 ALA HB% A 80 TRP HA 1.0 . 4.12 358 336 A 75 ALA HB% A 79 GLY HAy 1.0 . 4.43 359 337 A 80 TRP HH2 A 38 VAL HGx% 1.0 . 4.81 360 338 A 75 ALA HB% A 80 TRP HH2 1.0 . 4.91 361 339 A 75 ALA HB% A 80 TRP HZ3 1.0 . 4.81 362 340 A 48 PRO HA A 50 ALA HB% 1.0 . 5.01 363 341 A 50 ALA HB% A 49 GLY HAx 1.0 . 5.50 364 342 A 72 ILE HG2% A 39 LEU HA 1.0 . 4.67 365 343 A 43 VAL H A 42 THR H 1.0 . 3.62 366 344 A 47 PHE HD% A 30 ILE HD1% 1.0 . 4.60 367 345 A 50 ALA H A 47 PHE HBy 1.0 . 4.16 368 346 A 72 ILE HB A 73 LEU H 1.0 . 4.63 369 347 A 69 VAL H A 72 ILE HB 1.0 . 4.61 370 348 A 73 LEU HBy A 66 VAL HGx% 1.0 . 4.11 371 349 A 73 LEU HBy A 66 VAL HGy% 1.0 . 5.50 372 350 A 53 LEU HBx A 66 VAL HGy% 1.0 . 3.53 373 351 A 86 VAL HB A 54 ARG HBx 1.0 . 2.55 374 352 A 54 ARG HE A 54 ARG HBx 1.0 . 4.94 375 353 A 80 TRP HZ2 A 75 ALA HA 1.0 . 5.50 376 354 A 68 LEU HA A 67 ARG HE 1.0 . 4.44 377 355 A 18 ARG H A 17 ILE HA 1.0 . 3.42 378 356 A 51 CYS H A 89 TYR HA 1.0 . 4.66 379 357 A 17 ILE HG2% A 19 VAL HGy% 1.0 . 4.75 380 358 A 20 THR H A 19 VAL HGy% 1.0 . 3.80 381 359 A 17 ILE HD1% A 80 TRP HA 1.0 . 5.45 382 360 A 16 TYR HD% A 17 ILE HA 1.0 . 4.87 383 361 A 55 TYR HE% A 80 TRP HA 1.0 . 5.18 384 362 A 55 TYR HD% A 56 ARG HA 1.0 . 5.50 385 363 A 85 TYR HE% A 21 GLU HA 1.0 . 4.36 386 364 A 17 ILE HD1% A 19 VAL HGy% 1.0 . 3.29 387 365 A 17 ILE HD1% A 85 TYR HBy 1.0 . 5.50 388 366 A 17 ILE HD1% A 30 ILE HB 1.0 . 5.17 389 367 A 17 ILE HD1% A 30 ILE HG1x 1.0 . 5.13 390 368 A 17 ILE HD1% A 66 VAL HGx% 1.0 . 5.50 391 369 A 17 ILE HD1% A 66 VAL HGy% 1.0 . 5.50 392 370 A 17 ILE HG1y A 30 ILE HG1x 1.0 . 4.29 393 371 A 75 ALA HB% A 17 ILE HB 1.0 . 5.09 394 372 A 75 ALA HB% A 76 PRO HBx 1.0 . 4.74 395 372 A 75 ALA HB% A 76 PRO HBy 1.0 . 4.74 396 373 A 78 ALA HA A 79 GLY HAx 1.0 . 4.78 397 374 A 44 THR H A 40 LEU HA 1.0 . 5.37 398 375 A 44 THR H A 42 THR HA 1.0 . 5.50 399 376 A 28 ILE H A 18 ARG HA 1.0 . 5.03 400 377 A 82 ASN HA A 18 ARG HBy 1.0 . 4.74 401 378 A 50 ALA H A 89 TYR HD% 1.0 . 5.13 402 379 A 54 ARG H A 53 LEU H 1.0 . 5.07 403 380 A 86 VAL H A 85 TYR H 1.0 . 5.49 404 381 A 37 THR HB A 73 LEU H 1.0 . 5.07 405 382 A 73 LEU H A 40 LEU HA 1.0 . 5.50 406 383 A 30 ILE H A 16 TYR HA 1.0 . 5.50 407 384 A 18 ARG H A 17 ILE H 1.0 . 5.03 408 385 A 18 ARG H A 19 VAL H 1.0 . 5.30 409 386 A 69 VAL HA A 68 LEU HDx% 1.0 . 4.33 410 387 A 88 ASN HA A 52 GLY H 1.0 . 4.86 411 388 A 88 ASN H A 52 GLY H 1.0 . 4.71 412 389 A 84 VAL H A 56 ARG H 1.0 . 4.92 413 390 A 75 ALA HB% A 80 TRP HE1 1.0 . 3.88 414 391 A 70 GLU H A 69 VAL HGy% 1.0 . 4.31 415 392 A 70 GLU H A 70 GLU HGx 1.0 . 4.27 416 392 A 70 GLU HGy A 70 GLU H 1.0 . 4.27 417 393 A 70 GLU H A 69 VAL HGx% 1.0 . 4.31 418 394 A 86 VAL H A 85 TYR HBx 1.0 . 4.22 419 395 A 86 VAL H A 86 VAL HGy% 1.0 . 3.55 420 396 A 73 LEU H A 73 LEU HDy% 1.0 . 3.70 421 397 A 73 LEU H A 73 LEU HDx% 1.0 . 3.94 422 398 A 30 ILE H A 30 ILE HG1x 1.0 . 3.55 423 399 A 67 ARG H A 66 VAL HGx% 1.0 . 4.01 424 400 A 72 ILE HG2% A 73 LEU H 1.0 . 3.48 425 401 A 30 ILE H A 30 ILE HB 1.0 . 3.79 426 402 A 33 GLU H A 38 VAL HGy% 1.0 . 4.67 427 403 A 28 ILE H A 28 ILE HG2% 1.0 . 3.92 428 404 A 30 ILE H A 30 ILE HG21 1.0 . 4.33 429 405 A 30 ILE H A 30 ILE HD1% 1.0 . 4.72 430 406 A 33 GLU H A 32 SER HBx 1.0 . 4.34 431 407 A 28 ILE H A 28 ILE HG1y 1.0 . 4.88 432 408 A 44 THR H A 43 VAL HGx% 1.0 . 3.66 433 409 A 33 GLU H A 38 VAL HGx% 1.0 . 4.67 434 410 A 33 GLU H A 32 SER HBy 1.0 . 4.34 435 411 A 23 GLU H A 22 ASP HBx 1.0 . 3.76 436 411 A 23 GLU H A 22 ASP HBy 1.0 . 3.76 437 412 A 23 GLU H A 23 GLU HGx 1.0 . 4.06 438 412 A 23 GLU H A 23 GLU HGy 1.0 . 4.06 439 413 A 44 THR H A 44 THR HG2% 1.0 . 3.25 440 414 A 34 ASP H A 33 GLU HGx 1.0 . 4.93 441 414 A 33 GLU HGy A 34 ASP H 1.0 . 4.93 442 415 A 50 ALA HB% A 51 CYS H 1.0 . 3.69 443 416 A 51 CYS H A 51 CYS HBy 1.0 . 4.19 444 417 A 51 CYS H A 51 CYS HBx 1.0 . 4.13 445 418 A 51 CYS H A 50 ALA HA 1.0 . 3.49 446 419 A 34 ASP H A 34 ASP HBx 1.0 . 3.39 447 419 A 34 ASP H A 34 ASP HBy 1.0 . 3.39 448 420 A 69 VAL H A 69 VAL HB 1.0 . 3.75 449 421 A 69 VAL H A 68 LEU HDy% 1.0 . 3.36 450 422 A 69 VAL H A 69 VAL HGx% 1.0 . 4.02 451 423 A 64 ARG H A 64 ARG HGx 1.0 . 4.07 452 423 A 64 ARG HGy A 64 ARG H 1.0 . 4.07 453 424 A 55 TYR H A 54 ARG HBy 1.0 . 4.07 454 425 A 55 TYR H A 86 VAL HB 1.0 . 5.24 455 426 A 53 LEU H A 66 VAL HB 1.0 . 4.23 456 427 A 56 ARG H A 55 TYR HBy 1.0 . 4.43 457 428 A 85 TYR H A 19 VAL HB 1.0 . 3.61 458 429 A 17 ILE H A 16 TYR HBy 1.0 . 3.97 459 430 A 17 ILE H A 16 TYR HBx 1.0 . 4.05 460 431 A 19 VAL H A 27 PRO HBx 1.0 . 4.52 461 432 A 85 TYR H A 84 VAL HB 1.0 . 4.81 462 433 A 53 LEU H A 53 LEU HBy 1.0 . 3.77 463 434 A 49 GLY H A 48 PRO HBy 1.0 . 4.20 464 435 A 19 VAL H A 19 VAL HGx% 1.0 . 3.33 465 436 A 20 THR HB A 21 GLU H 1.0 . 5.02 466 437 A 20 THR H A 85 TYR HBx 1.0 . 4.19 467 438 A 21 GLU H A 21 GLU HGx 1.0 . 4.51 468 439 A 41 SER H A 39 LEU HBy 1.0 . 5.05 469 440 A 20 THR H A 27 PRO HBy 1.0 . 4.22 470 441 A 20 THR H A 84 VAL HGx% 1.0 . 4.89 471 442 A 41 SER H A 41 SER HBy 1.0 . 4.14 472 443 A 41 SER H A 41 SER HBx 1.0 . 4.14 473 444 A 41 SER H A 39 LEU HBx 1.0 . 5.05 474 445 A 26 GLU H A 26 GLU HGx 1.0 . 4.32 475 445 A 26 GLU H A 26 GLU HGy 1.0 . 4.32 476 446 A 63 MET H A 63 MET HGy 1.0 . 4.57 477 446 A 63 MET H A 63 MET HGx 1.0 . 4.57 478 447 A 43 VAL HB A 41 SER H 1.0 . 5.23 479 448 A 10 HIS H A 10 HIS HBx 1.0 . 3.56 480 448 A 10 HIS H A 10 HIS HBy 1.0 . 3.56 481 449 A 24 ASN H A 22 ASP HBx 1.0 . 4.06 482 449 A 22 ASP HBy A 24 ASN H 1.0 . 4.06 483 450 A 24 ASN H A 24 ASN HBy 1.0 . 4.01 484 451 A 26 GLU H A 26 GLU HBx 1.0 . 3.40 485 451 A 26 GLU H A 26 GLU HBy 1.0 . 3.40 486 452 A 63 MET H A 63 MET HBy 1.0 . 3.86 487 452 A 63 MET H A 63 MET HBx 1.0 . 3.86 488 453 A 40 LEU H A 41 SER HA 1.0 . 5.45 489 454 A 40 LEU H A 40 LEU HBy 1.0 . 3.81 490 455 A 40 LEU H A 40 LEU HBx 1.0 . 3.81 491 456 A 24 ASN H A 23 GLU HGx 1.0 . 4.15 492 456 A 23 GLU HGy A 24 ASN H 1.0 . 4.15 493 457 A 18 ARG H A 17 ILE HB 1.0 . 4.58 494 458 A 24 ASN H A 24 ASN HBx 1.0 . 4.01 495 459 A 18 ARG H A 19 VAL HGx% 1.0 . 3.95 496 460 A 74 HIS H A 74 HIS HBx 1.0 . 3.74 497 461 A 74 HIS H A 73 LEU HDy% 1.0 . 4.64 498 462 A 77 ASP H A 76 PRO HBx 1.0 . 4.23 499 462 A 76 PRO HBy A 77 ASP H 1.0 . 4.23 500 463 A 57 ASN H A 58 PRO HDy 1.0 . 4.90 501 464 A 37 THR HB A 75 ALA H 1.0 . 4.32 502 465 A 70 GLU HA A 71 GLY H 1.0 . 3.36 503 466 A 13 MET H A 13 MET HGx 1.0 . 4.16 504 466 A 13 MET H A 13 MET HGy 1.0 . 4.16 505 467 A 65 GLY H A 64 ARG HGx 1.0 . 4.34 506 467 A 65 GLY H A 64 ARG HGy 1.0 . 4.34 507 468 A 77 ASP H A 76 PRO HGx 1.0 . 4.00 508 469 A 57 ASN H A 56 ARG HDx 1.0 . 4.16 509 469 A 57 ASN H A 56 ARG HDy 1.0 . 4.16 510 470 A 65 GLY H A 64 ARG HDy 1.0 . 4.57 511 471 A 57 ASN H A 57 ASN HBy 1.0 . 3.69 512 472 A 38 VAL H A 38 VAL HB 1.0 . 3.77 513 473 A 80 TRP H A 80 TRP HBy 1.0 . 4.16 514 474 A 37 THR HG2% A 75 ALA H 1.0 . 3.50 515 475 A 38 VAL H A 38 VAL HGx% 1.0 . 4.53 516 476 A 38 VAL H A 72 ILE HG2% 1.0 . 3.56 517 477 A 75 ALA HB% A 75 ALA H 1.0 . 2.94 518 478 A 47 PHE H A 46 GLN HBy 1.0 . 4.37 519 479 A 71 GLY H A 68 LEU HDy% 1.0 . 3.31 520 480 A 47 PHE H A 47 PHE HBy 1.0 . 3.90 521 481 A 66 VAL H A 66 VAL HB 1.0 . 3.43 522 482 A 66 VAL H A 66 VAL HGy% 1.0 . 3.23 523 483 A 47 PHE H A 43 VAL HGx% 1.0 . 4.33 524 484 A 67 ARG HA A 68 LEU H 1.0 . 3.53 525 485 A 61 GLN H A 61 GLN HBx 1.0 . 4.17 526 485 A 61 GLN H A 61 GLN HBy 1.0 . 4.17 527 486 A 14 SER H A 14 SER HBx 1.0 . 3.37 528 486 A 14 SER H A 14 SER HBy 1.0 . 3.37 529 487 A 4 SER H A 3 GLY HAx 1.0 . 3.48 530 487 A 3 GLY HAy A 4 SER H 1.0 . 3.48 531 488 A 28 ILE HG2% A 29 GLU H 1.0 . 4.13 532 489 A 72 ILE H A 72 ILE HG1y 1.0 . 4.00 533 490 A 72 ILE H A 72 ILE HD1% 1.0 . 4.05 534 491 A 50 ALA H A 50 ALA HB% 1.0 . 3.09 535 492 A 78 ALA HB% A 78 ALA H 1.0 . 2.83 536 493 A 16 TYR H A 16 TYR HBx 1.0 . 4.06 537 494 A 25 ASP H A 25 ASP HBy 1.0 . 3.81 538 495 A 25 ASP H A 25 ASP HBx 1.0 . 3.81 539 496 A 22 ASP H A 21 GLU HBy 1.0 . 4.59 540 497 A 59 VAL H A 59 VAL HGx% 1.0 . 3.15 541 498 A 22 ASP H A 22 ASP HBx 1.0 . 3.50 542 498 A 22 ASP HBy A 22 ASP H 1.0 . 3.50 543 499 A 79 GLY H A 76 PRO HBx 1.0 . 4.25 544 499 A 76 PRO HBy A 79 GLY H 1.0 . 4.25 545 500 A 59 VAL H A 59 VAL HGy% 1.0 . 3.30 546 501 A 22 ASP H A 21 GLU HBx 1.0 . 4.29 547 502 A 75 ALA HB% A 79 GLY H 1.0 . 4.03 548 503 A 37 THR HG2% A 37 THR H 1.0 . 3.54 549 504 A 84 VAL H A 83 LEU HDy% 1.0 . 4.52 550 505 A 87 VAL H A 86 VAL HGx% 1.0 . 3.71 551 506 A 84 VAL H A 83 LEU HBy 1.0 . 4.20 552 507 A 78 ALA HB% A 79 GLY H 1.0 . 3.32 553 508 A 84 VAL H A 84 VAL HB 1.0 . 3.44 554 509 A 88 ASN H A 88 ASN HBx 1.0 . 4.11 555 510 A 42 THR H A 39 LEU HBy 1.0 . 4.31 556 511 A 42 THR H A 39 LEU HBx 1.0 . 4.31 557 512 A 50 ALA HB% A 52 GLY H 1.0 . 4.39 558 513 A 45 ALA H A 45 ALA HB% 1.0 . 2.93 559 514 A 43 VAL H A 43 VAL HGy% 1.0 . 2.95 560 515 A 47 PHE HZ A 30 ILE HD1% 1.0 . 4.01 561 516 A 47 PHE HD% A 43 VAL HGx% 1.0 . 3.13 562 517 A 18 ARG HE A 18 ARG HBy 1.0 . 4.34 563 518 A 80 TRP HD1 A 32 SER HBx 1.0 . 4.89 564 519 A 45 ALA H A 42 THR HG2% 1.0 . 4.97 565 520 A 45 ALA H A 44 THR HG2% 1.0 . 4.95 566 521 A 47 PHE HD% A 28 ILE HG2% 1.0 . 4.25 567 522 A 80 TRP HD1 A 17 ILE HG1x 1.0 . 4.86 568 523 A 47 PHE HD% A 43 VAL HGy% 1.0 . 3.39 569 524 A 64 ARG HE A 76 PRO HGy 1.0 . 5.11 570 525 A 85 TYR HD% A 53 LEU HG 1.0 . 4.26 571 526 A 17 ILE HG2% A 47 PHE HE% 1.0 . 4.72 572 527 A 75 ALA HB% A 80 TRP HE3 1.0 . 3.98 573 528 A 17 ILE HD1% A 80 TRP HE3 1.0 . 3.87 574 529 A 80 TRP HE3 A 17 ILE HG1x 1.0 . 4.30 575 530 A 54 ARG HE A 54 ARG HBy 1.0 . 4.82 576 531 A 86 VAL HB A 54 ARG HE 1.0 . 5.50 577 532 A 83 LEU H A 83 LEU HG 1.0 . 3.99 578 533 A 83 LEU H A 83 LEU HDx% 1.0 . 4.74 579 534 A 46 GLN H A 46 GLN HBy 1.0 . 3.38 580 535 A 46 GLN H A 30 ILE HG21 1.0 . 4.10 581 536 A 46 GLN H A 45 ALA HB% 1.0 . 3.66 582 537 A 55 TYR HD% A 64 ARG HBx 1.0 . 4.07 583 537 A 55 TYR HD% A 64 ARG HBy 1.0 . 4.07 584 538 A 55 TYR HE% A 64 ARG HDx 1.0 . 4.30 585 539 A 55 TYR HE% A 66 VAL HGy% 1.0 . 3.06 586 540 A 80 TRP HH2 A 73 LEU HDy% 1.0 . 4.66 587 541 A 80 TRP HH2 A 73 LEU HDx% 1.0 . 4.35 588 542 A 54 ARG HA A 55 TYR HA 1.0 . 4.63 589 543 A 19 VAL HA A 18 ARG HA 1.0 . 4.37 590 544 A 19 VAL HA A 27 PRO HA 1.0 . 4.10 591 545 A 19 VAL HA A 19 VAL HGy% 1.0 . 3.28 592 546 A 19 VAL HA A 19 VAL HGx% 1.0 . 3.14 593 547 A 19 VAL HA A 85 TYR HBx 1.0 . 4.33 594 548 A 53 LEU HA A 53 LEU HDx% 1.0 . 4.35 595 549 A 68 LEU HA A 68 LEU HG 1.0 . 3.78 596 550 A 68 LEU HA A 73 LEU HDx% 1.0 . 4.35 597 551 A 68 LEU HA A 68 LEU HDy% 1.0 . 2.91 598 552 A 73 LEU HA A 66 VAL HGx% 1.0 . 3.62 599 553 A 73 LEU HA A 73 LEU HG 1.0 . 4.22 600 554 A 73 LEU HA A 73 LEU HDx% 1.0 . 4.51 601 555 A 16 TYR HA A 17 ILE HG2% 1.0 . 4.23 602 556 A 47 PHE HA A 48 PRO HGx 1.0 . 4.21 603 557 A 25 ASP HA A 26 GLU HBx 1.0 . 4.73 604 557 A 26 GLU HBy A 25 ASP HA 1.0 . 4.73 605 558 A 47 PHE HA A 48 PRO HGy 1.0 . 5.21 606 559 A 37 THR HA A 75 ALA HA 1.0 . 4.95 607 560 A 88 ASN HA A 87 VAL HB 1.0 . 4.33 608 561 A 72 ILE HG2% A 37 THR HA 1.0 . 3.99 609 562 A 55 TYR HA A 66 VAL HGy% 1.0 . 5.08 610 563 A 27 PRO HA A 28 ILE HG2% 1.0 . 3.68 611 564 A 30 ILE HA A 30 ILE HG21 1.0 . 2.99 612 565 A 86 VAL HA A 86 VAL HGx% 1.0 . 3.44 613 566 A 57 ASN HA A 58 PRO HBx 1.0 . 5.08 614 567 A 86 VAL HA A 54 ARG HBx 1.0 . 5.38 615 568 A 37 THR HG2% A 37 THR HA 1.0 . 3.01 616 569 A 86 VAL HA A 86 VAL HGy% 1.0 . 2.87 617 570 A 23 GLU HA A 24 ASN HA 1.0 . 4.81 618 571 A 22 ASP HA A 21 GLU HBx 1.0 . 4.55 619 572 A 73 LEU HA A 74 HIS HA 1.0 . 4.43 620 573 A 17 ILE HA A 80 TRP HBy 1.0 . 3.94 621 574 A 17 ILE HG2% A 17 ILE HA 1.0 . 3.30 622 575 A 17 ILE HD1% A 17 ILE HA 1.0 . 3.95 623 576 A 13 MET HA A 13 MET HGx 1.0 . 3.72 624 576 A 13 MET HGy A 13 MET HA 1.0 . 3.72 625 577 A 17 ILE HA A 19 VAL HGx% 1.0 . 4.55 626 578 A 35 ASP HA A 36 GLY HAx 1.0 . 4.71 627 579 A 20 THR HB A 26 GLU HA 1.0 . 4.46 628 580 A 80 TRP HA A 75 ALA HA 1.0 . 4.73 629 581 A 64 ARG HA A 64 ARG HGx 1.0 . 3.92 630 581 A 64 ARG HGy A 64 ARG HA 1.0 . 3.92 631 582 A 39 LEU HA A 39 LEU HG 1.0 . 3.78 632 583 A 28 ILE HG2% A 28 ILE HA 1.0 . 3.22 633 584 A 48 PRO HA A 43 VAL HGx% 1.0 . 4.77 634 585 A 44 THR H A 41 SER HA 1.0 . 4.57 635 586 A 60 SER HA A 57 ASN HBx 1.0 . 4.27 636 587 A 48 PRO HBy A 49 GLY HAx 1.0 . 4.27 637 588 A 38 VAL HA A 38 VAL HGy% 1.0 . 3.07 638 589 A 49 GLY H A 44 THR HB 1.0 . 4.01 639 590 A 38 VAL HA A 38 VAL HGx% 1.0 . 3.07 640 591 A 58 PRO HA A 60 SER H 1.0 . 4.40 641 592 A 36 GLY HAy A 35 ASP H 1.0 . 5.01 642 593 A 36 GLY HAy A 80 TRP HE1 1.0 . 4.27 643 594 A 73 LEU H A 38 VAL HA 1.0 . 5.19 644 595 A 30 ILE H A 31 PRO HA 1.0 . 5.50 645 596 A 44 THR H A 44 THR HB 1.0 . 4.18 646 597 A 36 GLY HAy A 15 GLU H 1.0 . 4.04 647 598 A 72 ILE H A 69 VAL HA 1.0 . 5.14 648 599 A 67 ARG HE A 69 VAL HA 1.0 . 3.79 649 600 A 80 TRP HZ2 A 38 VAL HA 1.0 . 4.19 650 601 A 43 VAL HA A 42 THR HB 1.0 . 4.56 651 602 A 69 VAL HA A 69 VAL HGx% 1.0 . 3.33 652 603 A 53 LEU HA A 52 GLY HAx 1.0 . 4.56 653 604 A 68 LEU HA A 69 VAL HA 1.0 . 4.53 654 605 A 58 PRO HA A 56 ARG HE 1.0 . 5.35 655 606 A 55 TYR HE% A 76 PRO HA 1.0 . 4.81 656 607 A 51 CYS H A 52 GLY HAx 1.0 . 5.14 657 608 A 55 TYR H A 56 ARG HA 1.0 . 5.10 658 609 A 78 ALA H A 79 GLY HAy 1.0 . 4.29 659 610 A 64 ARG HE A 76 PRO HA 1.0 . 4.53 660 611 A 58 PRO HA A 57 ASN HBx 1.0 . 5.50 661 612 A 52 GLY HAx A 88 ASN HBy 1.0 . 4.66 662 613 A 69 VAL HA A 69 VAL HGy% 1.0 . 3.33 663 614 A 88 ASN H A 52 GLY HAx 1.0 . 4.57 664 615 A 56 ARG HA A 56 ARG HE 1.0 . 4.83 665 616 A 34 ASP HA A 14 SER HBx 1.0 . 3.61 666 616 A 14 SER HBy A 34 ASP HA 1.0 . 3.61 667 617 A 72 ILE HA A 39 LEU H 1.0 . 4.98 668 618 A 16 TYR HD% A 15 GLU HA 1.0 . 4.38 669 619 A 69 VAL H A 72 ILE HA 1.0 . 4.92 670 620 A 72 ILE HA A 38 VAL H 1.0 . 4.10 671 621 A 72 ILE HA A 72 ILE HG1x 1.0 . 3.58 672 622 A 44 THR HA A 43 VAL HGx% 1.0 . 3.74 673 623 A 72 ILE HA A 73 LEU HDy% 1.0 . 4.06 674 624 A 66 VAL HA A 65 GLY HAx 1.0 . 4.26 675 624 A 66 VAL HA A 65 GLY HAy 1.0 . 4.26 676 625 A 43 VAL HA A 44 THR HA 1.0 . 4.78 677 626 A 66 VAL HA A 76 PRO HDx 1.0 . 4.15 678 627 A 66 VAL HA A 66 VAL HGx% 1.0 . 3.13 679 628 A 66 VAL HA A 66 VAL HGy% 1.0 . 3.44 680 629 A 71 GLY HAy A 68 LEU HDy% 1.0 . 3.79 681 630 A 49 GLY H A 44 THR HA 1.0 . 4.40 682 631 A 85 TYR H A 21 GLU HA 1.0 . 4.90 683 632 A 59 VAL H A 58 PRO HDy 1.0 . 4.91 684 633 A 87 VAL H A 21 GLU HA 1.0 . 5.16 685 634 A 85 TYR HD% A 21 GLU HA 1.0 . 3.98 686 635 A 57 ASN HA A 58 PRO HDy 1.0 . 2.98 687 636 A 63 MET HA A 63 MET HGy 1.0 . 3.82 688 636 A 63 MET HGx A 63 MET HA 1.0 . 3.82 689 637 A 58 PRO HDy A 59 VAL HGy% 1.0 . 3.37 690 638 A 84 VAL HA A 84 VAL HGx% 1.0 . 2.92 691 639 A 84 VAL HA A 84 VAL HGy% 1.0 . 2.92 692 640 A 26 GLU HGy A 27 PRO HDy 1.0 . 4.27 693 640 A 26 GLU HGx A 27 PRO HDy 1.0 . 4.27 694 641 A 45 ALA H A 42 THR HA 1.0 . 4.37 695 642 A 37 THR HB A 80 TRP HZ2 1.0 . 4.02 696 643 A 23 GLU HA A 22 ASP HBx 1.0 . 4.58 697 643 A 23 GLU HA A 22 ASP HBy 1.0 . 4.58 698 644 A 26 GLU HBy A 27 PRO HDy 1.0 . 3.82 699 644 A 26 GLU HBx A 27 PRO HDy 1.0 . 3.82 700 645 A 80 TRP HE1 A 36 GLY HAx 1.0 . 4.92 701 646 A 56 ARG HE A 58 PRO HDx 1.0 . 4.10 702 647 A 58 PRO HDx A 57 ASN HBx 1.0 . 5.01 703 648 A 23 GLU HA A 84 VAL HB 1.0 . 4.52 704 649 A 56 ARG HDy A 58 PRO HDx 1.0 . 4.56 705 649 A 58 PRO HDx A 56 ARG HDx 1.0 . 4.56 706 650 A 59 VAL HA A 59 VAL HGx% 1.0 . 2.82 707 651 A 32 SER HBy A 38 VAL HGy% 1.0 . 5.61 708 652 A 59 VAL HA A 60 SER HA 1.0 . 5.32 709 653 A 59 VAL HA A 58 PRO HBy 1.0 . 4.74 710 654 A 50 ALA HA A 47 PHE HBy 1.0 . 5.30 711 655 A 14 SER HBy A 34 ASP HBx 1.0 . 4.31 712 655 A 14 SER HBx A 34 ASP HBx 1.0 . 4.31 713 655 A 34 ASP HBy A 14 SER HBx 1.0 . 4.31 714 655 A 34 ASP HBy A 14 SER HBy 1.0 . 4.31 715 656 A 50 ALA HA A 47 PHE HBx 1.0 . 4.93 716 657 A 50 ALA HA A 51 CYS HBy 1.0 . 4.43 717 658 A 87 VAL HA A 21 GLU HGy 1.0 . 5.13 718 659 A 26 GLU HBy A 27 PRO HDx 1.0 . 3.82 719 659 A 27 PRO HDx A 26 GLU HBx 1.0 . 3.82 720 660 A 55 TYR HBx A 65 GLY HAx 1.0 . 4.93 721 660 A 55 TYR HBx A 65 GLY HAy 1.0 . 4.93 722 661 A 54 ARG HA A 65 GLY HAx 1.0 . 4.34 723 661 A 54 ARG HA A 65 GLY HAy 1.0 . 4.34 724 662 A 27 PRO HDx A 26 GLU HGx 1.0 . 4.27 725 662 A 26 GLU HGy A 27 PRO HDx 1.0 . 4.27 726 663 A 65 GLY HAy A 54 ARG HBx 1.0 . 5.00 727 663 A 54 ARG HBx A 65 GLY HAx 1.0 . 5.00 728 664 A 65 GLY HAy A 54 ARG HBy 1.0 . 5.25 729 664 A 54 ARG HBy A 65 GLY HAx 1.0 . 5.25 730 665 A 65 GLY HAx A 66 VAL HGy% 1.0 . 4.71 731 665 A 65 GLY HAy A 66 VAL HGy% 1.0 . 4.71 732 666 A 65 GLY HAy A 54 ARG HDy 1.0 . 5.18 733 666 A 54 ARG HDy A 65 GLY HAx 1.0 . 5.18 734 667 A 42 THR HG2% A 31 PRO HDx 1.0 . 3.11 735 667 A 42 THR HG2% A 31 PRO HDy 1.0 . 3.11 736 668 A 47 PHE HBy A 48 PRO HDy 1.0 . 4.88 737 669 A 47 PHE HBx A 48 PRO HDy 1.0 . 4.20 738 670 A 68 LEU HG A 52 GLY HAy 1.0 . 3.82 739 671 A 43 VAL HA A 30 ILE HD1% 1.0 . 3.25 740 672 A 43 VAL HA A 43 VAL HGx% 1.0 . 3.11 741 673 A 43 VAL HA A 47 PHE HBy 1.0 . 4.26 742 674 A 43 VAL HA A 43 VAL HGy% 1.0 . 3.25 743 675 A 43 VAL HA A 45 ALA HB% 1.0 . 4.66 744 676 A 78 ALA HB% A 79 GLY HAx 1.0 . 4.21 745 677 A 57 ASN HBx A 58 PRO HDy 1.0 . 4.03 746 678 A 18 ARG HDx A 27 PRO HBx 1.0 . 4.64 747 678 A 27 PRO HBx A 18 ARG HDy 1.0 . 4.64 748 679 A 17 ILE HG1y A 80 TRP HBx 1.0 . 3.75 749 680 A 54 ARG HBx A 54 ARG HDx 1.0 . 4.10 750 681 A 80 TRP HBx A 17 ILE HG1x 1.0 . 3.42 751 682 A 17 ILE HD1% A 80 TRP HBx 1.0 . 4.14 752 683 A 43 VAL HGx% A 47 PHE HBx 1.0 . 3.87 753 684 A 21 GLU HGx A 47 PHE HBx 1.0 . 4.36 754 685 A 85 TYR HBy A 53 LEU HBx 1.0 . 3.65 755 686 A 50 ALA HB% A 47 PHE HBx 1.0 . 3.54 756 687 A 85 TYR HBy A 53 LEU HBy 1.0 . 3.99 757 688 A 19 VAL HGx% A 85 TYR HBy 1.0 . 4.24 758 689 A 54 ARG HDy A 54 ARG HBx 1.0 . 4.10 759 690 A 75 ALA HB% A 76 PRO HDy 1.0 . 3.31 760 691 A 52 GLY HAx A 51 CYS HBx 1.0 . 4.18 761 692 A 50 ALA HB% A 47 PHE HBy 1.0 . 3.37 762 693 A 30 ILE HG21 A 46 GLN HGy 1.0 . 4.36 763 694 A 25 ASP HA A 26 GLU HGx 1.0 . 5.50 764 694 A 26 GLU HGy A 25 ASP HA 1.0 . 5.50 765 695 A 47 PHE HA A 21 GLU HGx 1.0 . 5.50 766 696 A 44 THR HG2% A 43 VAL HB 1.0 . 3.60 767 697 A 75 ALA HA A 76 PRO HDx 1.0 . 3.56 768 698 A 75 ALA HB% A 76 PRO HDx 1.0 . 3.29 769 699 A 55 TYR HBy A 64 ARG HA 1.0 . 5.09 770 700 A 69 VAL HA A 70 GLU HGx 1.0 . 4.20 771 700 A 70 GLU HGy A 69 VAL HA 1.0 . 4.20 772 701 A 70 GLU HGy A 69 VAL HGy% 1.0 . 3.67 773 701 A 69 VAL HGy% A 70 GLU HGx 1.0 . 3.67 774 702 A 70 GLU HA A 70 GLU HGx 1.0 . 3.33 775 702 A 70 GLU HA A 70 GLU HGy 1.0 . 3.33 776 703 A 76 PRO HGx A 79 GLY HAy 1.0 . 4.22 777 704 A 38 VAL HA A 33 GLU HGx 1.0 . 5.50 778 704 A 38 VAL HA A 33 GLU HGy 1.0 . 5.50 779 705 A 73 LEU HDx% A 73 LEU HBy 1.0 . 3.26 780 706 A 38 VAL HGx% A 73 LEU HBy 1.0 . 3.94 781 707 A 73 LEU HBy A 38 VAL HGy% 1.0 . 3.94 782 708 A 72 ILE HB A 72 ILE HD1% 1.0 . 2.89 783 709 A 59 VAL HA A 61 GLN HGx 1.0 . 3.70 784 709 A 61 GLN HGy A 59 VAL HA 1.0 . 3.70 785 710 A 59 VAL HGx% A 58 PRO HGx 1.0 . 2.91 786 710 A 58 PRO HGy A 59 VAL HGx% 1.0 . 2.91 787 711 A 60 SER HA A 61 GLN HGx 1.0 . 4.40 788 711 A 61 GLN HGy A 60 SER HA 1.0 . 4.40 789 712 A 66 VAL HB A 53 LEU HBx 1.0 . 3.79 790 713 A 36 GLY HAy A 15 GLU HBx 1.0 . 5.50 791 714 A 48 PRO HGx A 49 GLY HAx 1.0 . 5.50 792 715 A 66 VAL HB A 67 ARG HA 1.0 . 5.50 793 716 A 84 VAL HA A 27 PRO HBy 1.0 . 5.50 794 717 A 20 THR HB A 27 PRO HBy 1.0 . 4.09 795 718 A 19 VAL HGx% A 18 ARG HBy 1.0 . 5.04 796 719 A 42 THR HB A 30 ILE HB 1.0 . 4.31 797 720 A 44 THR HA A 48 PRO HBx 1.0 . 4.88 798 721 A 30 ILE HD1% A 30 ILE HB 1.0 . 3.26 799 722 A 28 ILE HG2% A 46 GLN HBy 1.0 . 4.98 800 723 A 64 ARG HBy A 64 ARG HDx 1.0 . 3.91 801 723 A 64 ARG HBx A 64 ARG HDx 1.0 . 3.91 802 724 A 64 ARG HBy A 64 ARG HDy 1.0 . 3.91 803 724 A 64 ARG HDy A 64 ARG HBx 1.0 . 3.91 804 725 A 45 ALA HB% A 31 PRO HDx 1.0 . 4.74 805 725 A 31 PRO HDy A 45 ALA HB% 1.0 . 4.74 806 726 A 64 ARG HBy A 65 GLY HAx 1.0 . 5.01 807 726 A 64 ARG HBx A 65 GLY HAx 1.0 . 5.01 808 726 A 65 GLY HAy A 64 ARG HBx 1.0 . 5.01 809 726 A 64 ARG HBy A 65 GLY HAy 1.0 . 5.01 810 727 A 55 TYR HBy A 64 ARG HBx 1.0 . 4.23 811 727 A 64 ARG HBy A 55 TYR HBy 1.0 . 4.23 812 728 A 53 LEU HG A 85 TYR HBy 1.0 . 4.71 813 729 A 17 ILE HB A 17 ILE HG1x 1.0 . 2.93 814 730 A 74 HIS HA A 67 ARG HGx 1.0 . 5.47 815 730 A 67 ARG HGy A 74 HIS HA 1.0 . 5.47 816 731 A 67 ARG HGy A 74 HIS HBx 1.0 . 4.37 817 731 A 67 ARG HGx A 74 HIS HBx 1.0 . 4.37 818 732 A 17 ILE HD1% A 17 ILE HB 1.0 . 3.17 819 733 A 44 THR HG2% A 43 VAL HGx% 1.0 . 2.69 820 734 A 69 VAL HB A 67 ARG HGx 1.0 . 3.99 821 734 A 67 ARG HGy A 69 VAL HB 1.0 . 3.99 822 735 A 50 ALA HB% A 43 VAL HGx% 1.0 . 2.55 823 736 A 75 ALA HA A 66 VAL HGx% 1.0 . 4.56 824 737 A 64 ARG HGx A 76 PRO HBx 1.0 . 4.57 825 737 A 64 ARG HGy A 76 PRO HBx 1.0 . 4.57 826 737 A 76 PRO HBy A 64 ARG HGx 1.0 . 4.57 827 737 A 64 ARG HGy A 76 PRO HBy 1.0 . 4.57 828 738 A 58 PRO HBy A 59 VAL HGx% 1.0 . 4.15 829 739 A 17 ILE HA A 17 ILE HG1x 1.0 . 4.18 830 740 A 60 SER HA A 59 VAL HGy% 1.0 . 4.81 831 741 A 28 ILE HG2% A 21 GLU HBy 1.0 . 5.39 832 742 A 58 PRO HBy A 59 VAL HGy% 1.0 . 5.50 833 743 A 20 THR HB A 28 ILE HG2% 1.0 . 3.60 834 744 A 54 ARG HBy A 86 VAL HGy% 1.0 . 3.34 835 745 A 85 TYR HA A 86 VAL HGy% 1.0 . 4.61 836 746 A 82 ASN HA A 19 VAL HGx% 1.0 . 4.53 837 747 A 47 PHE HA A 43 VAL HGx% 1.0 . 4.76 838 748 A 18 ARG HA A 19 VAL HGx% 1.0 . 4.24 839 749 A 73 LEU HBy A 43 VAL HGy% 1.0 . 3.81 840 750 A 75 ALA HB% A 37 THR HG2% 1.0 . 4.25 841 751 A 43 VAL HGx% A 47 PHE HBy 1.0 . 3.89 842 752 A 42 THR HB A 43 VAL HGy% 1.0 . 4.70 843 753 A 69 VAL HA A 68 LEU HDy% 1.0 . 5.02 844 754 A 37 THR HG2% A 74 HIS HBy 1.0 . 3.38 845 755 A 19 VAL HGx% A 85 TYR HBx 1.0 . 3.36 846 756 A 17 ILE HD1% A 30 ILE HD1% 1.0 . 3.22 847 757 A 42 THR HG2% A 30 ILE HG21 1.0 . 3.60 848 758 A 42 THR HG2% A 30 ILE HD1% 1.0 . 3.91 849 759 A 86 VAL HGx% A 54 ARG HBx 1.0 . 3.50 850 760 A 45 ALA HB% A 30 ILE HD1% 1.0 . 4.93 851 761 A 38 VAL HGx% A 32 SER HBx 1.0 . 5.61 852 762 A 17 ILE HG1y A 19 VAL HGx% 1.0 . 3.38 853 763 A 17 ILE HG2% A 80 TRP HBx 1.0 . 4.53 854 764 A 17 ILE HD1% A 19 VAL HGx% 1.0 . 3.07 855 765 A 19 VAL HA A 82 ASN HA 1.0 . 4.18 856 766 A 19 VAL HA A 20 THR HA 1.0 . 4.47 857 767 A 16 TYR HA A 32 SER HA 1.0 . 5.36 858 768 A 63 MET HA A 62 CYS HA 1.0 . 4.61 859 769 A 43 VAL HA A 40 LEU HA 1.0 . 5.50 860 770 A 43 VAL HA A 42 THR HA 1.0 . 5.50 861 771 A 4 SER HA A 3 GLY HAx 1.0 . 4.30 862 771 A 3 GLY HAy A 4 SER HA 1.0 . 4.30 863 772 A 22 ASP HBy A 23 GLU HGx 1.0 . 3.92 864 772 A 22 ASP HBx A 23 GLU HGx 1.0 . 3.92 865 772 A 23 GLU HGy A 22 ASP HBx 1.0 . 3.92 866 772 A 23 GLU HGy A 22 ASP HBy 1.0 . 3.92 867 773 A 45 ALA HB% A 30 ILE HB 1.0 . 5.31 868 774 A 42 THR HG2% A 30 ILE HB 1.0 . 2.95 869 775 A 17 ILE HG1x A 19 VAL HGy% 1.0 . 4.41 870 776 A 28 ILE HG2% A 19 VAL HGy% 1.0 . 4.86 871 777 A 17 ILE HG1y A 19 VAL HGy% 1.0 . 2.86 872 778 A 66 VAL H A 55 TYR HA 1.0 . 4.94 873 779 A 58 PRO HA A 61 GLN H 1.0 . 4.51 874 780 A 51 CYS H A 52 GLY H 1.0 . 4.09 875 781 A 87 VAL H A 85 TYR HE% 1.0 . 3.98 876 782 A 24 ASN H A 23 GLU HBy 1.0 . 4.31 877 782 A 23 GLU HBx A 24 ASN H 1.0 . 4.31 878 783 A 59 VAL H A 60 SER H 1.0 . 4.37 879 784 A 89 TYR H A 89 TYR HE% 1.0 . 4.49 880 785 A 61 GLN H A 60 SER H 1.0 . 4.52 881 786 A 61 GLN H A 62 CYS H 1.0 . 5.16 882 787 A 55 TYR HD% A 83 LEU H 1.0 . 5.50 883 788 A 78 ALA H A 79 GLY H 1.0 . 4.33 884 789 A 37 THR H A 36 GLY H 1.0 . 4.34 885 790 A 73 LEU HDx% A 68 LEU HDy% 1.0 . 4.77 886 791 A 83 LEU HG A 55 TYR HE% 1.0 . 5.00 887 792 A 72 ILE H A 70 GLU H 1.0 . 4.67 888 793 A 80 TRP HD1 A 80 TRP H 1.0 . 4.00 889 794 A 80 TRP HD1 A 80 TRP HA 1.0 . 4.56 890 795 A 38 VAL H A 80 TRP HZ2 1.0 . 3.99 891 796 A 80 TRP HZ2 A 38 VAL HGx% 1.0 . 4.37 892 797 A 80 TRP HZ2 A 17 ILE HB 1.0 . 4.79 893 798 A 80 TRP HZ2 A 73 LEU HBx 1.0 . 5.10 894 799 A 55 TYR HE% A 76 PRO HDx 1.0 . 3.87 895 800 A 55 TYR HE% A 64 ARG HDy 1.0 . 4.30 896 801 A 85 TYR HE% A 21 GLU HGx 1.0 . 3.77 897 802 A 80 TRP HD1 A 75 ALA HB% 1.0 . 4.06 898 803 A 80 TRP HD1 A 80 TRP HBx 1.0 . 3.70 899 804 A 37 THR HG2% A 74 HIS HE1 1.0 . 4.10 900 805 A 5 HIS H A 5 HIS HBx 1.0 . 3.62 901 805 A 5 HIS H A 5 HIS HBy 1.0 . 3.62 902 806 A 12 SER HA A 11 GLY HAy 1.0 . 4.78 903 806 A 11 GLY HAx A 12 SER HA 1.0 . 4.78 904 807 A 15 GLU H A 15 GLU HBy 1.0 . 3.61 905 807 A 15 GLU H A 15 GLU HBx 1.0 . 3.61 906 808 A 16 TYR H A 15 GLU HBy 1.0 . 4.23 907 808 A 16 TYR H A 15 GLU HBx 1.0 . 4.23 908 809 A 36 GLY HAy A 15 GLU HBy 1.0 . 4.84 909 809 A 36 GLY HAy A 15 GLU HBx 1.0 . 4.84 910 810 A 29 GLU HBy A 16 TYR HBy 1.0 . 3.84 911 810 A 16 TYR HBy A 29 GLU HBx 1.0 . 3.84 912 811 A 16 TYR HD% A 18 ARG HGy 1.0 . 3.58 913 811 A 16 TYR HD% A 18 ARG HGx 1.0 . 3.58 914 812 A 16 TYR HD% A 29 GLU HBx 1.0 . 4.12 915 812 A 16 TYR HD% A 29 GLU HBy 1.0 . 4.12 916 813 A 16 TYR HE% A 18 ARG HGy 1.0 . 4.23 917 813 A 18 ARG HGx A 16 TYR HE% 1.0 . 4.23 918 814 A 16 TYR HE% A 82 ASN HD2x 1.0 . 4.32 919 814 A 16 TYR HE% A 82 ASN HD2y 1.0 . 4.32 920 815 A 17 ILE HB A 32 SER HBx 1.0 . 4.23 921 815 A 17 ILE HB A 32 SER HBy 1.0 . 4.23 922 816 A 17 ILE HB A 38 VAL HGy% 1.0 . 3.64 923 816 A 17 ILE HB A 38 VAL HGx% 1.0 . 3.64 924 817 A 17 ILE HG2% A 32 SER HBx 1.0 . 3.12 925 817 A 17 ILE HG2% A 32 SER HBy 1.0 . 3.12 926 818 A 17 ILE HG2% A 38 VAL HGy% 1.0 . 4.17 927 818 A 17 ILE HG2% A 38 VAL HGx% 1.0 . 4.17 928 819 A 38 VAL HGx% A 17 ILE HG1x 1.0 . 4.01 929 819 A 17 ILE HG1x A 38 VAL HGy% 1.0 . 4.01 930 820 A 17 ILE HD1% A 32 SER HBx 1.0 . 4.76 931 820 A 17 ILE HD1% A 32 SER HBy 1.0 . 4.76 932 821 A 17 ILE HD1% A 38 VAL HGy% 1.0 . 3.44 933 821 A 17 ILE HD1% A 38 VAL HGx% 1.0 . 3.44 934 822 A 18 ARG H A 18 ARG HGy 1.0 . 3.97 935 822 A 18 ARG H A 18 ARG HGx 1.0 . 3.97 936 823 A 18 ARG HA A 18 ARG HGy 1.0 . 3.71 937 823 A 18 ARG HA A 18 ARG HGx 1.0 . 3.71 938 824 A 18 ARG HE A 18 ARG HGy 1.0 . 3.60 939 824 A 18 ARG HE A 18 ARG HGx 1.0 . 3.60 940 825 A 29 GLU HA A 18 ARG HGy 1.0 . 5.15 941 825 A 29 GLU HA A 18 ARG HGx 1.0 . 5.15 942 826 A 18 ARG HDx A 27 PRO HGx 1.0 . 5.08 943 826 A 27 PRO HGy A 18 ARG HDy 1.0 . 5.08 944 826 A 18 ARG HDx A 27 PRO HGy 1.0 . 5.08 945 826 A 18 ARG HDy A 27 PRO HGx 1.0 . 5.08 946 827 A 18 ARG HDx A 29 GLU HBx 1.0 . 4.13 947 827 A 18 ARG HDy A 29 GLU HBx 1.0 . 4.13 948 827 A 29 GLU HBy A 18 ARG HDy 1.0 . 4.13 949 827 A 18 ARG HDx A 29 GLU HBy 1.0 . 4.13 950 828 A 18 ARG HDy A 29 GLU HGx 1.0 . 4.32 951 828 A 18 ARG HDx A 29 GLU HGx 1.0 . 4.32 952 828 A 29 GLU HGy A 18 ARG HDy 1.0 . 4.32 953 828 A 18 ARG HDx A 29 GLU HGy 1.0 . 4.32 954 829 A 19 VAL HA A 84 VAL HGy% 1.0 . 5.44 955 829 A 19 VAL HA A 84 VAL HGx% 1.0 . 5.44 956 830 A 20 THR H A 84 VAL HGy% 1.0 . 3.35 957 830 A 20 THR H A 84 VAL HGx% 1.0 . 3.35 958 831 A 20 THR HB A 27 PRO HDy 1.0 . 5.33 959 831 A 20 THR HB A 27 PRO HDx 1.0 . 5.33 960 832 A 21 GLU H A 87 VAL HGy% 1.0 . 5.29 961 832 A 21 GLU H A 87 VAL HGx% 1.0 . 5.29 962 833 A 21 GLU HA A 84 VAL HGy% 1.0 . 4.45 963 833 A 21 GLU HA A 84 VAL HGx% 1.0 . 4.45 964 834 A 21 GLU HA A 87 VAL HGy% 1.0 . 3.43 965 834 A 21 GLU HA A 87 VAL HGx% 1.0 . 3.43 966 835 A 87 VAL HGx% A 21 GLU HBy 1.0 . 4.25 967 835 A 21 GLU HBy A 87 VAL HGy% 1.0 . 4.25 968 836 A 87 VAL HGx% A 21 GLU HBx 1.0 . 4.73 969 836 A 21 GLU HBx A 87 VAL HGy% 1.0 . 4.73 970 837 A 87 VAL HGx% A 21 GLU HGy 1.0 . 3.19 971 837 A 21 GLU HGy A 87 VAL HGy% 1.0 . 3.19 972 838 A 87 VAL HGx% A 21 GLU HGx 1.0 . 4.74 973 838 A 21 GLU HGx A 87 VAL HGy% 1.0 . 4.74 974 839 A 22 ASP HA A 84 VAL HGy% 1.0 . 4.58 975 839 A 22 ASP HA A 84 VAL HGx% 1.0 . 4.58 976 840 A 22 ASP HBx A 84 VAL HGy% 1.0 . 4.83 977 840 A 22 ASP HBy A 84 VAL HGy% 1.0 . 4.83 978 840 A 84 VAL HGx% A 22 ASP HBx 1.0 . 4.83 979 840 A 22 ASP HBy A 84 VAL HGx% 1.0 . 4.83 980 841 A 23 GLU HA A 84 VAL HGy% 1.0 . 3.21 981 841 A 23 GLU HA A 84 VAL HGx% 1.0 . 3.21 982 842 A 24 ASN H A 24 ASN HBx 1.0 . 3.38 983 842 A 24 ASN H A 24 ASN HBy 1.0 . 3.38 984 843 A 24 ASN HBy A 24 ASN HD2x 1.0 . 3.20 985 843 A 24 ASN HBx A 24 ASN HD2x 1.0 . 3.20 986 843 A 24 ASN HD2y A 24 ASN HBx 1.0 . 3.20 987 843 A 24 ASN HBy A 24 ASN HD2y 1.0 . 3.20 988 844 A 25 ASP H A 24 ASN HBx 1.0 . 4.30 989 844 A 25 ASP H A 24 ASN HBy 1.0 . 4.30 990 845 A 25 ASP H A 25 ASP HBy 1.0 . 3.33 991 845 A 25 ASP H A 25 ASP HBx 1.0 . 3.33 992 846 A 26 GLU H A 25 ASP HBy 1.0 . 3.71 993 846 A 26 GLU H A 25 ASP HBx 1.0 . 3.71 994 847 A 26 GLU HA A 27 PRO HDy 1.0 . 2.43 995 847 A 26 GLU HA A 27 PRO HDx 1.0 . 2.43 996 848 A 26 GLU HBx A 27 PRO HDy 1.0 . 3.26 997 848 A 26 GLU HBy A 27 PRO HDy 1.0 . 3.26 998 848 A 27 PRO HDx A 26 GLU HBx 1.0 . 3.26 999 848 A 26 GLU HBy A 27 PRO HDx 1.0 . 3.26 1000 849 A 26 GLU HGy A 27 PRO HDy 1.0 . 3.70 1001 849 A 27 PRO HDx A 26 GLU HGx 1.0 . 3.70 1002 849 A 26 GLU HGy A 27 PRO HDx 1.0 . 3.70 1003 849 A 26 GLU HGx A 27 PRO HDy 1.0 . 3.70 1004 850 A 28 ILE H A 28 ILE HG1x 1.0 . 4.10 1005 850 A 28 ILE H A 28 ILE HG1y 1.0 . 4.10 1006 851 A 28 ILE HG2% A 28 ILE HG1x 1.0 . 2.81 1007 851 A 28 ILE HG2% A 28 ILE HG1y 1.0 . 2.81 1008 852 A 29 GLU H A 28 ILE HG1x 1.0 . 4.28 1009 852 A 29 GLU H A 28 ILE HG1y 1.0 . 4.28 1010 853 A 29 GLU HA A 28 ILE HG1x 1.0 . 3.97 1011 853 A 29 GLU HA A 28 ILE HG1y 1.0 . 3.97 1012 854 A 28 ILE HG1y A 46 GLN HBx 1.0 . 3.51 1013 854 A 28 ILE HG1x A 46 GLN HBx 1.0 . 3.51 1014 855 A 28 ILE HG1y A 46 GLN HGx 1.0 . 3.67 1015 855 A 28 ILE HG1x A 46 GLN HGx 1.0 . 3.67 1016 855 A 46 GLN HGy A 28 ILE HG1x 1.0 . 3.67 1017 855 A 28 ILE HG1y A 46 GLN HGy 1.0 . 3.67 1018 856 A 29 GLU H A 29 GLU HGx 1.0 . 3.67 1019 856 A 29 GLU H A 29 GLU HGy 1.0 . 3.67 1020 857 A 30 ILE HB A 38 VAL HGy% 1.0 . 4.38 1021 857 A 30 ILE HB A 38 VAL HGx% 1.0 . 4.38 1022 858 A 30 ILE HB A 46 GLN HGx 1.0 . 5.15 1023 858 A 30 ILE HB A 46 GLN HGy 1.0 . 5.15 1024 859 A 30 ILE HG21 A 46 GLN HGx 1.0 . 3.78 1025 859 A 30 ILE HG21 A 46 GLN HGy 1.0 . 3.78 1026 860 A 46 GLN HGy A 30 ILE HG1y 1.0 . 4.13 1027 860 A 30 ILE HG1y A 46 GLN HGx 1.0 . 4.13 1028 861 A 30 ILE HD1% A 38 VAL HGy% 1.0 . 2.84 1029 861 A 30 ILE HD1% A 38 VAL HGx% 1.0 . 2.84 1030 862 A 31 PRO HA A 32 SER HBx 1.0 . 4.44 1031 862 A 31 PRO HA A 32 SER HBy 1.0 . 4.44 1032 863 A 32 SER H A 32 SER HBx 1.0 . 3.69 1033 863 A 32 SER H A 32 SER HBy 1.0 . 3.69 1034 864 A 32 SER HA A 38 VAL HGy% 1.0 . 3.58 1035 864 A 32 SER HA A 38 VAL HGx% 1.0 . 3.58 1036 865 A 38 VAL HA A 32 SER HBx 1.0 . 4.70 1037 865 A 38 VAL HA A 32 SER HBy 1.0 . 4.70 1038 866 A 32 SER HBx A 38 VAL HGy% 1.0 . 3.39 1039 866 A 32 SER HBy A 38 VAL HGy% 1.0 . 3.39 1040 866 A 38 VAL HGx% A 32 SER HBx 1.0 . 3.39 1041 866 A 32 SER HBy A 38 VAL HGx% 1.0 . 3.39 1042 867 A 32 SER HBx A 38 VAL HGy% 1.0 . 5.61 1043 868 A 39 LEU H A 32 SER HBx 1.0 . 4.71 1044 868 A 39 LEU H A 32 SER HBy 1.0 . 4.71 1045 869 A 80 TRP HD1 A 32 SER HBx 1.0 . 4.16 1046 869 A 80 TRP HD1 A 32 SER HBy 1.0 . 4.16 1047 870 A 33 GLU H A 38 VAL HGy% 1.0 . 3.98 1048 870 A 33 GLU H A 38 VAL HGx% 1.0 . 3.98 1049 871 A 37 THR H A 33 GLU HBx 1.0 . 4.73 1050 871 A 37 THR H A 33 GLU HBy 1.0 . 4.73 1051 872 A 37 THR HG2% A 33 GLU HBx 1.0 . 4.55 1052 872 A 37 THR HG2% A 33 GLU HBy 1.0 . 4.55 1053 873 A 38 VAL H A 33 GLU HBx 1.0 . 5.04 1054 873 A 38 VAL H A 33 GLU HBy 1.0 . 5.04 1055 874 A 38 VAL HA A 33 GLU HBx 1.0 . 4.26 1056 874 A 38 VAL HA A 33 GLU HBy 1.0 . 4.26 1057 875 A 36 GLY HAx A 35 ASP HBy 1.0 . 4.29 1058 875 A 36 GLY HAx A 35 ASP HBx 1.0 . 4.29 1059 876 A 38 VAL H A 38 VAL HGy% 1.0 . 3.68 1060 876 A 38 VAL H A 38 VAL HGx% 1.0 . 3.68 1061 877 A 39 LEU H A 38 VAL HGy% 1.0 . 3.63 1062 877 A 39 LEU H A 38 VAL HGx% 1.0 . 3.63 1063 878 A 38 VAL HGx% A 39 LEU HBx 1.0 . 5.06 1064 878 A 38 VAL HGy% A 39 LEU HBx 1.0 . 5.06 1065 878 A 39 LEU HBy A 38 VAL HGy% 1.0 . 5.06 1066 878 A 38 VAL HGx% A 39 LEU HBy 1.0 . 5.06 1067 879 A 42 THR HB A 38 VAL HGy% 1.0 . 3.31 1068 879 A 42 THR HB A 38 VAL HGx% 1.0 . 3.31 1069 880 A 43 VAL HA A 38 VAL HGy% 1.0 . 4.70 1070 880 A 43 VAL HA A 38 VAL HGx% 1.0 . 4.70 1071 881 A 38 VAL HGy% A 43 VAL HGy% 1.0 . 3.70 1072 881 A 38 VAL HGx% A 43 VAL HGy% 1.0 . 3.70 1073 882 A 73 LEU H A 38 VAL HGy% 1.0 . 5.05 1074 882 A 73 LEU H A 38 VAL HGx% 1.0 . 5.05 1075 883 A 73 LEU HBy A 38 VAL HGy% 1.0 . 3.26 1076 883 A 38 VAL HGx% A 73 LEU HBy 1.0 . 3.26 1077 884 A 75 ALA HB% A 38 VAL HGy% 1.0 . 4.43 1078 884 A 75 ALA HB% A 38 VAL HGx% 1.0 . 4.43 1079 885 A 80 TRP HE3 A 38 VAL HGy% 1.0 . 4.76 1080 885 A 80 TRP HE3 A 38 VAL HGx% 1.0 . 4.76 1081 886 A 80 TRP HZ3 A 38 VAL HGy% 1.0 . 5.44 1082 886 A 80 TRP HZ3 A 38 VAL HGx% 1.0 . 5.44 1083 887 A 39 LEU H A 39 LEU HBx 1.0 . 3.55 1084 887 A 39 LEU H A 39 LEU HBy 1.0 . 3.55 1085 888 A 39 LEU H A 39 LEU HDy% 1.0 . 4.23 1086 888 A 39 LEU H A 39 LEU HDx% 1.0 . 4.23 1087 889 A 39 LEU HA A 39 LEU HDy% 1.0 . 2.75 1088 889 A 39 LEU HA A 39 LEU HDx% 1.0 . 2.75 1089 890 A 39 LEU HBy A 39 LEU HDy% 1.0 . 2.78 1090 890 A 39 LEU HBx A 39 LEU HDy% 1.0 . 2.78 1091 890 A 39 LEU HDx% A 39 LEU HBx 1.0 . 2.78 1092 890 A 39 LEU HBy A 39 LEU HDx% 1.0 . 2.78 1093 891 A 40 LEU H A 39 LEU HBx 1.0 . 3.83 1094 891 A 40 LEU H A 39 LEU HBy 1.0 . 3.83 1095 892 A 41 SER H A 39 LEU HBx 1.0 . 4.41 1096 892 A 41 SER H A 39 LEU HBy 1.0 . 4.41 1097 893 A 39 LEU HBy A 41 SER HBx 1.0 . 3.67 1098 893 A 39 LEU HBx A 41 SER HBx 1.0 . 3.67 1099 893 A 41 SER HBy A 39 LEU HBx 1.0 . 3.67 1100 893 A 39 LEU HBy A 41 SER HBy 1.0 . 3.67 1101 894 A 42 THR H A 39 LEU HBx 1.0 . 3.64 1102 894 A 42 THR H A 39 LEU HBy 1.0 . 3.64 1103 895 A 40 LEU H A 39 LEU HDy% 1.0 . 3.35 1104 895 A 40 LEU H A 39 LEU HDx% 1.0 . 3.35 1105 896 A 39 LEU HDy% A 40 LEU HBx 1.0 . 5.28 1106 896 A 39 LEU HDx% A 40 LEU HBx 1.0 . 5.28 1107 896 A 40 LEU HBy A 39 LEU HDy% 1.0 . 5.28 1108 896 A 39 LEU HDx% A 40 LEU HBy 1.0 . 5.28 1109 897 A 39 LEU HDx% A 72 ILE HG1y 1.0 . 3.53 1110 897 A 72 ILE HG1y A 39 LEU HDy% 1.0 . 3.53 1111 898 A 39 LEU HDy% A 72 ILE HG1x 1.0 . 3.62 1112 898 A 39 LEU HDx% A 72 ILE HG1x 1.0 . 3.62 1113 899 A 40 LEU H A 40 LEU HBx 1.0 . 3.31 1114 899 A 40 LEU H A 40 LEU HBy 1.0 . 3.31 1115 900 A 40 LEU H A 40 LEU HDy% 1.0 . 4.26 1116 900 A 40 LEU H A 40 LEU HDx% 1.0 . 4.26 1117 901 A 40 LEU HA A 40 LEU HDy% 1.0 . 2.99 1118 901 A 40 LEU HA A 40 LEU HDx% 1.0 . 2.99 1119 902 A 40 LEU HA A 71 GLY HAx 1.0 . 4.79 1120 902 A 40 LEU HA A 71 GLY HAy 1.0 . 4.79 1121 903 A 40 LEU HG A 40 LEU HBx 1.0 . 2.41 1122 903 A 40 LEU HBy A 40 LEU HG 1.0 . 2.41 1123 904 A 40 LEU HBy A 40 LEU HDy% 1.0 . 2.66 1124 904 A 40 LEU HBx A 40 LEU HDy% 1.0 . 2.66 1125 904 A 40 LEU HDx% A 40 LEU HBx 1.0 . 2.66 1126 904 A 40 LEU HBy A 40 LEU HDx% 1.0 . 2.66 1127 905 A 41 SER H A 40 LEU HBx 1.0 . 4.31 1128 905 A 41 SER H A 40 LEU HBy 1.0 . 4.31 1129 906 A 40 LEU HBy A 68 LEU HDy% 1.0 . 5.28 1130 906 A 40 LEU HBx A 68 LEU HDy% 1.0 . 5.28 1131 907 A 40 LEU HBy A 71 GLY HAx 1.0 . 5.04 1132 907 A 40 LEU HBx A 71 GLY HAx 1.0 . 5.04 1133 907 A 71 GLY HAy A 40 LEU HBx 1.0 . 5.04 1134 907 A 40 LEU HBy A 71 GLY HAy 1.0 . 5.04 1135 908 A 72 ILE HA A 40 LEU HBx 1.0 . 5.34 1136 908 A 72 ILE HA A 40 LEU HBy 1.0 . 5.34 1137 909 A 40 LEU HBx A 72 ILE HG1x 1.0 . 3.76 1138 909 A 40 LEU HBy A 72 ILE HG1x 1.0 . 3.76 1139 910 A 41 SER H A 40 LEU HDy% 1.0 . 4.52 1140 910 A 41 SER H A 40 LEU HDx% 1.0 . 4.52 1141 911 A 41 SER HA A 40 LEU HDy% 1.0 . 4.47 1142 911 A 41 SER HA A 40 LEU HDx% 1.0 . 4.47 1143 912 A 42 THR H A 40 LEU HDy% 1.0 . 4.94 1144 912 A 42 THR H A 40 LEU HDx% 1.0 . 4.94 1145 913 A 43 VAL H A 40 LEU HDy% 1.0 . 4.31 1146 913 A 43 VAL H A 40 LEU HDx% 1.0 . 4.31 1147 914 A 43 VAL HB A 40 LEU HDy% 1.0 . 3.18 1148 914 A 43 VAL HB A 40 LEU HDx% 1.0 . 3.18 1149 915 A 44 THR H A 40 LEU HDy% 1.0 . 3.88 1150 915 A 44 THR H A 40 LEU HDx% 1.0 . 3.88 1151 916 A 44 THR HB A 40 LEU HDy% 1.0 . 5.10 1152 916 A 44 THR HB A 40 LEU HDx% 1.0 . 5.10 1153 917 A 41 SER H A 41 SER HBx 1.0 . 3.64 1154 917 A 41 SER H A 41 SER HBy 1.0 . 3.64 1155 918 A 45 ALA HB% A 46 GLN HGx 1.0 . 4.85 1156 918 A 45 ALA HB% A 46 GLN HGy 1.0 . 4.85 1157 919 A 46 GLN H A 46 GLN HGx 1.0 . 4.49 1158 919 A 46 GLN H A 46 GLN HGy 1.0 . 4.49 1159 920 A 46 GLN HA A 46 GLN HGx 1.0 . 3.61 1160 920 A 46 GLN HGy A 46 GLN HA 1.0 . 3.61 1161 921 A 46 GLN HE2y A 46 GLN HBy 1.0 . 4.39 1162 921 A 46 GLN HBy A 46 GLN HE2x 1.0 . 4.39 1163 922 A 47 PHE HE% A 46 GLN HGx 1.0 . 4.57 1164 922 A 47 PHE HE% A 46 GLN HGy 1.0 . 4.57 1165 923 A 87 VAL HGx% A 47 PHE HBy 1.0 . 4.60 1166 923 A 47 PHE HBy A 87 VAL HGy% 1.0 . 4.60 1167 924 A 53 LEU HDx% A 47 PHE HBx 1.0 . 4.20 1168 924 A 47 PHE HBx A 53 LEU HDy% 1.0 . 4.20 1169 925 A 87 VAL HGx% A 47 PHE HBx 1.0 . 3.77 1170 925 A 47 PHE HBx A 87 VAL HGy% 1.0 . 3.77 1171 926 A 47 PHE HD% A 87 VAL HGy% 1.0 . 4.49 1172 926 A 47 PHE HD% A 87 VAL HGx% 1.0 . 4.49 1173 927 A 50 ALA HB% A 53 LEU HDy% 1.0 . 3.76 1174 927 A 50 ALA HB% A 53 LEU HDx% 1.0 . 3.76 1175 928 A 50 ALA HB% A 87 VAL HGy% 1.0 . 3.13 1176 928 A 50 ALA HB% A 87 VAL HGx% 1.0 . 3.13 1177 929 A 51 CYS H A 53 LEU HDy% 1.0 . 4.47 1178 929 A 51 CYS H A 53 LEU HDx% 1.0 . 4.47 1179 930 A 52 GLY H A 53 LEU HDy% 1.0 . 4.41 1180 930 A 52 GLY H A 53 LEU HDx% 1.0 . 4.41 1181 931 A 52 GLY H A 88 ASN HBx 1.0 . 4.51 1182 931 A 52 GLY H A 88 ASN HBy 1.0 . 4.51 1183 932 A 52 GLY HAy A 53 LEU HDy% 1.0 . 3.82 1184 932 A 52 GLY HAy A 53 LEU HDx% 1.0 . 3.82 1185 933 A 52 GLY HAy A 68 LEU HBy 1.0 . 3.54 1186 933 A 52 GLY HAy A 68 LEU HBx 1.0 . 3.54 1187 934 A 52 GLY HAx A 88 ASN HD2y 1.0 . 3.60 1188 934 A 52 GLY HAx A 88 ASN HD2x 1.0 . 3.60 1189 935 A 53 LEU HA A 53 LEU HDy% 1.0 . 2.90 1190 935 A 53 LEU HA A 53 LEU HDx% 1.0 . 2.90 1191 936 A 54 ARG H A 53 LEU HDy% 1.0 . 5.19 1192 936 A 54 ARG H A 53 LEU HDx% 1.0 . 5.19 1193 937 A 66 VAL HB A 53 LEU HDy% 1.0 . 4.57 1194 937 A 66 VAL HB A 53 LEU HDx% 1.0 . 4.57 1195 938 A 53 LEU HDx% A 66 VAL HGx% 1.0 . 3.67 1196 938 A 66 VAL HGx% A 53 LEU HDy% 1.0 . 3.67 1197 939 A 53 LEU HDx% A 66 VAL HGy% 1.0 . 4.05 1198 939 A 53 LEU HDy% A 66 VAL HGy% 1.0 . 4.05 1199 940 A 53 LEU HDx% A 73 LEU HBx 1.0 . 4.09 1200 940 A 53 LEU HDy% A 73 LEU HBx 1.0 . 4.09 1201 941 A 73 LEU HG A 53 LEU HDy% 1.0 . 3.63 1202 941 A 73 LEU HG A 53 LEU HDx% 1.0 . 3.63 1203 942 A 80 TRP HZ3 A 53 LEU HDy% 1.0 . 5.44 1204 942 A 80 TRP HZ3 A 53 LEU HDx% 1.0 . 5.44 1205 943 A 80 TRP HH2 A 53 LEU HDy% 1.0 . 4.80 1206 943 A 80 TRP HH2 A 53 LEU HDx% 1.0 . 4.80 1207 944 A 85 TYR HBy A 53 LEU HDy% 1.0 . 5.05 1208 944 A 53 LEU HDx% A 85 TYR HBy 1.0 . 5.05 1209 945 A 85 TYR HE% A 53 LEU HDy% 1.0 . 3.71 1210 945 A 85 TYR HE% A 53 LEU HDx% 1.0 . 3.71 1211 946 A 87 VAL HA A 53 LEU HDy% 1.0 . 2.90 1212 946 A 87 VAL HA A 53 LEU HDx% 1.0 . 2.90 1213 947 A 53 LEU HDy% A 87 VAL HGy% 1.0 . 3.13 1214 947 A 53 LEU HDx% A 87 VAL HGy% 1.0 . 3.13 1215 947 A 87 VAL HGx% A 53 LEU HDy% 1.0 . 3.13 1216 947 A 87 VAL HGx% A 53 LEU HDx% 1.0 . 3.13 1217 948 A 88 ASN H A 53 LEU HDy% 1.0 . 3.71 1218 948 A 88 ASN H A 53 LEU HDx% 1.0 . 3.71 1219 949 A 54 ARG H A 54 ARG HGx 1.0 . 5.17 1220 949 A 54 ARG H A 54 ARG HGy 1.0 . 5.17 1221 950 A 54 ARG HA A 54 ARG HDx 1.0 . 4.71 1222 950 A 54 ARG HA A 54 ARG HDy 1.0 . 4.71 1223 951 A 54 ARG HDy A 54 ARG HBx 1.0 . 3.30 1224 951 A 54 ARG HBx A 54 ARG HDx 1.0 . 3.30 1225 952 A 54 ARG HGy A 54 ARG HBy 1.0 . 2.56 1226 952 A 54 ARG HBy A 54 ARG HGx 1.0 . 2.56 1227 953 A 55 TYR H A 54 ARG HGx 1.0 . 3.72 1228 953 A 55 TYR H A 54 ARG HGy 1.0 . 3.72 1229 954 A 54 ARG HGx A 65 GLY HAx 1.0 . 4.06 1230 954 A 54 ARG HGy A 65 GLY HAx 1.0 . 4.06 1231 954 A 65 GLY HAy A 54 ARG HGx 1.0 . 4.06 1232 954 A 65 GLY HAy A 54 ARG HGy 1.0 . 4.06 1233 955 A 54 ARG HDx A 65 GLY HAx 1.0 . 4.51 1234 955 A 54 ARG HDy A 65 GLY HAx 1.0 . 4.51 1235 955 A 65 GLY HAy A 54 ARG HDx 1.0 . 4.51 1236 955 A 65 GLY HAy A 54 ARG HDy 1.0 . 4.51 1237 956 A 86 VAL HB A 54 ARG HDx 1.0 . 4.04 1238 956 A 86 VAL HB A 54 ARG HDy 1.0 . 4.04 1239 957 A 86 VAL HGx% A 54 ARG HDx 1.0 . 3.72 1240 957 A 54 ARG HDy A 86 VAL HGx% 1.0 . 3.72 1241 958 A 54 ARG HDy A 86 VAL HGy% 1.0 . 4.59 1242 958 A 54 ARG HDx A 86 VAL HGy% 1.0 . 4.59 1243 959 A 55 TYR HA A 56 ARG HBx 1.0 . 4.47 1244 959 A 55 TYR HA A 56 ARG HBy 1.0 . 4.47 1245 960 A 55 TYR HBy A 64 ARG HDx 1.0 . 5.11 1246 960 A 55 TYR HBy A 64 ARG HDy 1.0 . 5.11 1247 961 A 55 TYR HBx A 83 LEU HDy% 1.0 . 4.64 1248 961 A 55 TYR HBx A 83 LEU HDx% 1.0 . 4.64 1249 962 A 55 TYR HD% A 64 ARG HDx 1.0 . 3.45 1250 962 A 55 TYR HD% A 64 ARG HDy 1.0 . 3.45 1251 963 A 55 TYR HD% A 83 LEU HDy% 1.0 . 3.24 1252 963 A 55 TYR HD% A 83 LEU HDx% 1.0 . 3.24 1253 964 A 55 TYR HE% A 64 ARG HDx 1.0 . 3.72 1254 964 A 55 TYR HE% A 64 ARG HDy 1.0 . 3.72 1255 965 A 55 TYR HE% A 83 LEU HDy% 1.0 . 3.70 1256 965 A 55 TYR HE% A 83 LEU HDx% 1.0 . 3.70 1257 966 A 56 ARG H A 83 LEU HBx 1.0 . 5.13 1258 966 A 56 ARG H A 83 LEU HBy 1.0 . 5.13 1259 967 A 56 ARG HA A 56 ARG HGx 1.0 . 3.54 1260 967 A 56 ARG HA A 56 ARG HGy 1.0 . 3.54 1261 968 A 56 ARG HBx A 56 ARG HDx 1.0 . 3.49 1262 968 A 56 ARG HBy A 56 ARG HDx 1.0 . 3.49 1263 968 A 56 ARG HDy A 56 ARG HBx 1.0 . 3.49 1264 968 A 56 ARG HDy A 56 ARG HBy 1.0 . 3.49 1265 969 A 56 ARG HE A 56 ARG HGx 1.0 . 3.48 1266 969 A 56 ARG HE A 56 ARG HGy 1.0 . 3.48 1267 970 A 57 ASN HA A 56 ARG HGx 1.0 . 4.56 1268 970 A 57 ASN HA A 56 ARG HGy 1.0 . 4.56 1269 971 A 57 ASN H A 60 SER HBy 1.0 . 4.06 1270 971 A 57 ASN H A 60 SER HBx 1.0 . 4.06 1271 972 A 57 ASN HA A 83 LEU HBx 1.0 . 4.39 1272 972 A 57 ASN HA A 83 LEU HBy 1.0 . 4.39 1273 973 A 57 ASN HD2y A 57 ASN HBy 1.0 . 3.46 1274 973 A 57 ASN HBy A 57 ASN HD2x 1.0 . 3.46 1275 974 A 60 SER HBx A 57 ASN HBy 1.0 . 4.09 1276 974 A 57 ASN HBy A 60 SER HBy 1.0 . 4.09 1277 975 A 60 SER HBx A 57 ASN HBx 1.0 . 3.31 1278 975 A 57 ASN HBx A 60 SER HBy 1.0 . 3.31 1279 976 A 57 ASN HD2x A 58 PRO HDy 1.0 . 4.20 1280 976 A 57 ASN HD2y A 58 PRO HDy 1.0 . 4.20 1281 977 A 60 SER H A 57 ASN HD2x 1.0 . 3.81 1282 977 A 60 SER H A 57 ASN HD2y 1.0 . 3.81 1283 978 A 60 SER HBx A 61 GLN HGx 1.0 . 4.99 1284 978 A 60 SER HBy A 61 GLN HGx 1.0 . 4.99 1285 978 A 61 GLN HGy A 60 SER HBy 1.0 . 4.99 1286 978 A 61 GLN HGy A 60 SER HBx 1.0 . 4.99 1287 979 A 61 GLN HA A 62 CYS HBx 1.0 . 5.32 1288 979 A 61 GLN HA A 62 CYS HBy 1.0 . 5.32 1289 980 A 62 CYS H A 62 CYS HBx 1.0 . 3.60 1290 980 A 62 CYS H A 62 CYS HBy 1.0 . 3.60 1291 981 A 63 MET H A 62 CYS HBx 1.0 . 4.39 1292 981 A 63 MET H A 62 CYS HBy 1.0 . 4.39 1293 982 A 64 ARG HA A 64 ARG HDx 1.0 . 4.27 1294 982 A 64 ARG HA A 64 ARG HDy 1.0 . 4.27 1295 983 A 64 ARG HBx A 64 ARG HDx 1.0 . 3.27 1296 983 A 64 ARG HDy A 64 ARG HBx 1.0 . 3.27 1297 983 A 64 ARG HBy A 64 ARG HDy 1.0 . 3.27 1298 983 A 64 ARG HBy A 64 ARG HDx 1.0 . 3.27 1299 984 A 64 ARG HDy A 65 GLY HAx 1.0 . 4.22 1300 984 A 64 ARG HDx A 65 GLY HAx 1.0 . 4.22 1301 984 A 65 GLY HAy A 64 ARG HDx 1.0 . 4.22 1302 984 A 65 GLY HAy A 64 ARG HDy 1.0 . 4.22 1303 985 A 76 PRO HA A 64 ARG HDx 1.0 . 5.34 1304 985 A 76 PRO HA A 64 ARG HDy 1.0 . 5.34 1305 986 A 64 ARG HDx A 76 PRO HBx 1.0 . 3.77 1306 986 A 64 ARG HDy A 76 PRO HBx 1.0 . 3.77 1307 986 A 76 PRO HBy A 64 ARG HDx 1.0 . 3.77 1308 986 A 76 PRO HBy A 64 ARG HDy 1.0 . 3.77 1309 987 A 64 ARG HDy A 76 PRO HGx 1.0 . 4.67 1310 987 A 76 PRO HGx A 64 ARG HDx 1.0 . 4.67 1311 988 A 64 ARG HDx A 76 PRO HGy 1.0 . 3.83 1312 988 A 64 ARG HDy A 76 PRO HGy 1.0 . 3.83 1313 989 A 67 ARG H A 67 ARG HBx 1.0 . 3.50 1314 989 A 67 ARG H A 67 ARG HBy 1.0 . 3.50 1315 990 A 67 ARG HA A 68 LEU HBy 1.0 . 5.34 1316 990 A 67 ARG HA A 68 LEU HBx 1.0 . 5.34 1317 991 A 67 ARG HE A 67 ARG HBx 1.0 . 4.83 1318 991 A 67 ARG HE A 67 ARG HBy 1.0 . 4.83 1319 992 A 67 ARG HBy A 74 HIS HBx 1.0 . 3.60 1320 992 A 67 ARG HBx A 74 HIS HBx 1.0 . 3.60 1321 993 A 67 ARG HGy A 69 VAL HGy% 1.0 . 3.86 1322 993 A 67 ARG HGx A 69 VAL HGy% 1.0 . 3.86 1323 993 A 69 VAL HGx% A 67 ARG HGx 1.0 . 3.86 1324 993 A 67 ARG HGy A 69 VAL HGx% 1.0 . 3.86 1325 994 A 68 LEU H A 67 ARG HDx 1.0 . 4.12 1326 994 A 68 LEU H A 67 ARG HDy 1.0 . 4.12 1327 995 A 67 ARG HE A 69 VAL HGy% 1.0 . 5.04 1328 995 A 67 ARG HE A 69 VAL HGx% 1.0 . 5.04 1329 996 A 68 LEU H A 68 LEU HBy 1.0 . 3.66 1330 996 A 68 LEU H A 68 LEU HBx 1.0 . 3.66 1331 997 A 68 LEU HA A 69 VAL HGy% 1.0 . 4.41 1332 997 A 68 LEU HA A 69 VAL HGx% 1.0 . 4.41 1333 998 A 68 LEU HG A 68 LEU HBy 1.0 . 2.64 1334 998 A 68 LEU HG A 68 LEU HBx 1.0 . 2.64 1335 999 A 68 LEU HDx% A 68 LEU HBy 1.0 . 2.80 1336 999 A 68 LEU HBx A 68 LEU HDx% 1.0 . 2.80 1337 1000 A 68 LEU HBx A 73 LEU HDx% 1.0 . 3.92 1338 1000 A 73 LEU HDx% A 68 LEU HBy 1.0 . 3.92 1339 1001 A 71 GLY HAy A 68 LEU HDy% 1.0 . 3.03 1340 1001 A 68 LEU HDy% A 71 GLY HAx 1.0 . 3.03 1341 1002 A 69 VAL HA A 69 VAL HGy% 1.0 . 2.89 1342 1002 A 69 VAL HA A 69 VAL HGx% 1.0 . 2.89 1343 1003 A 70 GLU H A 69 VAL HGy% 1.0 . 3.75 1344 1003 A 70 GLU H A 69 VAL HGx% 1.0 . 3.75 1345 1004 A 69 VAL HGx% A 70 GLU HGx 1.0 . 2.80 1346 1004 A 69 VAL HGy% A 70 GLU HGx 1.0 . 2.80 1347 1004 A 70 GLU HGy A 69 VAL HGy% 1.0 . 2.80 1348 1004 A 70 GLU HGy A 69 VAL HGx% 1.0 . 2.80 1349 1005 A 72 ILE HB A 69 VAL HGy% 1.0 . 2.96 1350 1005 A 72 ILE HB A 69 VAL HGx% 1.0 . 2.96 1351 1006 A 72 ILE HG2% A 69 VAL HGy% 1.0 . 4.13 1352 1006 A 72 ILE HG2% A 69 VAL HGx% 1.0 . 4.13 1353 1007 A 73 LEU HA A 69 VAL HGy% 1.0 . 4.87 1354 1007 A 73 LEU HA A 69 VAL HGx% 1.0 . 4.87 1355 1008 A 74 HIS HBy A 69 VAL HGy% 1.0 . 4.29 1356 1008 A 69 VAL HGx% A 74 HIS HBy 1.0 . 4.29 1357 1009 A 69 VAL HGy% A 74 HIS HBx 1.0 . 3.98 1358 1009 A 69 VAL HGx% A 74 HIS HBx 1.0 . 3.98 1359 1010 A 70 GLU H A 71 GLY HAx 1.0 . 5.02 1360 1010 A 70 GLU H A 71 GLY HAy 1.0 . 5.02 1361 1011 A 70 GLU HA A 71 GLY HAx 1.0 . 4.78 1362 1011 A 70 GLU HA A 71 GLY HAy 1.0 . 4.78 1363 1012 A 72 ILE H A 70 GLU HBy 1.0 . 4.77 1364 1012 A 72 ILE H A 70 GLU HBx 1.0 . 4.77 1365 1013 A 72 ILE HD1% A 70 GLU HBy 1.0 . 4.17 1366 1013 A 72 ILE HD1% A 70 GLU HBx 1.0 . 4.17 1367 1014 A 72 ILE HD1% A 71 GLY HAx 1.0 . 4.38 1368 1014 A 72 ILE HD1% A 71 GLY HAy 1.0 . 4.38 1369 1015 A 78 ALA H A 77 ASP HBy 1.0 . 4.21 1370 1015 A 78 ALA H A 77 ASP HBx 1.0 . 4.21 1371 1016 A 82 ASN HA A 83 LEU HDy% 1.0 . 4.19 1372 1016 A 82 ASN HA A 83 LEU HDx% 1.0 . 4.19 1373 1017 A 83 LEU HA A 83 LEU HDy% 1.0 . 3.73 1374 1017 A 83 LEU HA A 83 LEU HDx% 1.0 . 3.73 1375 1018 A 83 LEU HA A 84 VAL HGy% 1.0 . 3.85 1376 1018 A 83 LEU HA A 84 VAL HGx% 1.0 . 3.85 1377 1019 A 84 VAL H A 83 LEU HBx 1.0 . 3.62 1378 1019 A 84 VAL H A 83 LEU HBy 1.0 . 3.62 1379 1020 A 84 VAL HB A 83 LEU HBx 1.0 . 5.34 1380 1020 A 84 VAL HB A 83 LEU HBy 1.0 . 5.34 1381 1021 A 84 VAL H A 83 LEU HDy% 1.0 . 3.21 1382 1021 A 84 VAL H A 83 LEU HDx% 1.0 . 3.21 1383 1022 A 84 VAL HA A 83 LEU HDy% 1.0 . 3.94 1384 1022 A 84 VAL HA A 83 LEU HDx% 1.0 . 3.94 1385 1023 A 85 TYR HA A 83 LEU HDy% 1.0 . 4.67 1386 1023 A 85 TYR HA A 83 LEU HDx% 1.0 . 4.67 1387 1024 A 83 LEU HDx% A 85 TYR HBx 1.0 . 4.10 1388 1024 A 83 LEU HDy% A 85 TYR HBx 1.0 . 4.10 1389 1025 A 85 TYR H A 84 VAL HGy% 1.0 . 3.65 1390 1025 A 85 TYR H A 84 VAL HGx% 1.0 . 3.65 1391 1026 A 85 TYR HA A 84 VAL HGy% 1.0 . 4.77 1392 1026 A 85 TYR HA A 84 VAL HGx% 1.0 . 4.77 1393 1027 A 84 VAL HGy% A 85 TYR HBx 1.0 . 5.21 1394 1027 A 84 VAL HGx% A 85 TYR HBx 1.0 . 5.21 1395 1028 A 85 TYR HD% A 87 VAL HGy% 1.0 . 3.66 1396 1028 A 85 TYR HD% A 87 VAL HGx% 1.0 . 3.66 1397 1029 A 85 TYR HE% A 87 VAL HGy% 1.0 . 3.34 1398 1029 A 85 TYR HE% A 87 VAL HGx% 1.0 . 3.34 1399 1030 A 86 VAL HA A 87 VAL HGy% 1.0 . 4.28 1400 1030 A 86 VAL HA A 87 VAL HGx% 1.0 . 4.28 1401 1031 A 87 VAL HGx% A 86 VAL HGx% 1.0 . 3.88 1402 1031 A 86 VAL HGx% A 87 VAL HGy% 1.0 . 3.88 1403 1032 A 87 VAL HGx% A 86 VAL HGy% 1.0 . 4.66 1404 1032 A 86 VAL HGy% A 87 VAL HGy% 1.0 . 4.66 1405 1033 A 87 VAL H A 87 VAL HGy% 1.0 . 2.83 1406 1033 A 87 VAL H A 87 VAL HGx% 1.0 . 2.83 1407 1034 A 87 VAL HA A 87 VAL HGy% 1.0 . 2.78 1408 1034 A 87 VAL HA A 87 VAL HGx% 1.0 . 2.78 1409 1035 A 87 VAL HA A 88 ASN HBx 1.0 . 4.56 1410 1035 A 87 VAL HA A 88 ASN HBy 1.0 . 4.56 1411 1036 A 88 ASN H A 87 VAL HGy% 1.0 . 3.70 1412 1036 A 88 ASN H A 87 VAL HGx% 1.0 . 3.70 1413 1037 A 88 ASN H A 88 ASN HBx 1.0 . 3.52 1414 1037 A 88 ASN H A 88 ASN HBy 1.0 . 3.52 1415 1038 A 88 ASN HBy A 88 ASN HD2y 1.0 . 3.22 1416 1038 A 88 ASN HBx A 88 ASN HD2y 1.0 . 3.22 1417 1038 A 88 ASN HD2x A 88 ASN HBx 1.0 . 3.22 1418 1038 A 88 ASN HBy A 88 ASN HD2x 1.0 . 3.22 1419 1039 A 89 TYR H A 89 TYR HBy 1.0 . 3.69 1420 1039 A 89 TYR H A 89 TYR HBx 1.0 . 3.69 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _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 84 VAL H A 56 ARG HDx 1.0 . 5.50 2 1 A 84 VAL H A 56 ARG HDy 1.0 . 5.50 3 2 A 87 VAL HGx% A 21 GLU HBx 1.0 . 7.00 4 3 A 21 GLU HBx A 87 VAL HGy% 1.0 . 7.00 5 4 A 28 ILE H A 47 PHE HZ 1.0 . 5.50 6 5 A 55 TYR HE% A 57 ASN HBy 1.0 . 6.35 7 6 A 55 TYR HD% A 84 VAL HB 1.0 . 6.53 8 7 A 84 VAL HB A 56 ARG HE 1.0 . 5.50 9 8 A 56 ARG HE A 56 ARG HBx 1.0 . 5.50 10 8 A 56 ARG HE A 56 ARG HBy 1.0 . 5.50 11 9 A 55 TYR HE% A 64 ARG HBx 1.0 . 5.73 12 9 A 55 TYR HE% A 64 ARG HBy 1.0 . 5.73 13 10 A 16 TYR H A 15 GLU H 1.0 . 6.03 14 11 A 38 VAL H A 37 THR H 1.0 . 6.91 15 12 A 80 TRP H A 79 GLY H 1.0 . 6.78 16 13 A 63 MET H A 62 CYS HBx 1.0 . 5.94 17 14 A 15 GLU H A 14 SER HBx 1.0 . 5.85 18 14 A 14 SER HBy A 15 GLU H 1.0 . 5.85 19 15 A 16 TYR HD% A 18 ARG HE 1.0 . 5.50 20 16 A 35 ASP H A 33 GLU HBx 1.0 . 5.63 21 16 A 35 ASP H A 33 GLU HBy 1.0 . 5.63 22 17 A 16 TYR HD% A 15 GLU HGx 1.0 . 6.25 23 17 A 16 TYR HD% A 15 GLU HGy 1.0 . 6.25 24 18 A 21 GLU HA A 87 VAL HGy% 1.0 . 6.30 25 19 A 11 GLY H A 12 SER H 1.0 . 5.72 26 20 A 38 VAL H A 39 LEU H 1.0 . 6.44 27 21 A 84 VAL H A 56 ARG HBx 1.0 . 6.01 28 21 A 84 VAL H A 56 ARG HBy 1.0 . 6.01 29 22 A 62 CYS H A 61 GLN HBx 1.0 . 5.50 30 22 A 61 GLN HBy A 62 CYS H 1.0 . 5.50 31 23 A 87 VAL HGx% A 21 GLU HBy 1.0 . 7.00 32 24 A 21 GLU HBy A 87 VAL HGy% 1.0 . 7.00 33 25 A 35 ASP H A 33 GLU HGx 1.0 . 6.33 34 25 A 33 GLU HGy A 35 ASP H 1.0 . 6.33 35 26 A 60 SER H A 59 VAL HB 1.0 . 6.72 36 27 A 43 VAL HB A 41 SER HA 1.0 . 5.50 37 28 A 85 TYR H A 19 VAL HGy% 1.0 . 5.62 38 29 A 56 ARG H A 84 VAL HB 1.0 . 6.36 39 30 A 19 VAL HA A 83 LEU HDx% 1.0 . 6.87 40 31 A 42 THR H A 39 LEU HDx% 1.0 . 7.00 41 32 A 19 VAL H A 28 ILE HB 1.0 . 6.50 42 33 A 77 ASP H A 79 GLY H 1.0 . 7.00 43 34 A 40 LEU H A 42 THR HB 1.0 . 5.50 44 35 A 93 ASN HBy A 94 LYS H 1.0 . 6.07 45 36 A 94 LYS H A 93 ASN HBx 1.0 . 6.07 46 37 A 65 GLY H A 64 ARG HBx 1.0 . 5.50 47 37 A 65 GLY H A 64 ARG HBy 1.0 . 5.50 48 38 A 39 LEU H A 38 VAL HB 1.0 . 5.62 49 39 A 42 THR H A 39 LEU HDy% 1.0 . 7.00 50 40 A 22 ASP H A 20 THR HG2% 1.0 . 5.94 51 41 A 18 ARG HA A 17 ILE HA 1.0 . 5.50 52 42 A 89 TYR HD% A 49 GLY HAy 1.0 . 5.84 53 43 A 89 TYR HE% A 49 GLY HAy 1.0 . 5.50 54 44 A 17 ILE HD1% A 80 TRP HH2 1.0 . 5.50 55 45 A 55 TYR HD% A 64 ARG HGx 1.0 . 5.50 56 45 A 55 TYR HD% A 64 ARG HGy 1.0 . 5.50 57 46 A 21 GLU HA A 87 VAL HGx% 1.0 . 6.30 58 47 A 55 TYR HE% A 56 ARG HBx 1.0 . 6.29 59 47 A 55 TYR HE% A 56 ARG HBy 1.0 . 6.29 60 48 A 47 PHE H A 44 THR HA 1.0 . 5.50 61 49 A 66 VAL HA A 55 TYR HD% 1.0 . 7.00 62 50 A 19 VAL HA A 20 THR HG2% 1.0 . 6.04 63 51 A 19 VAL HA A 83 LEU HDy% 1.0 . 6.87 64 52 A 18 ARG HE A 18 ARG HBx 1.0 . 5.65 65 53 A 16 TYR HD% A 16 TYR H 1.0 . 5.50 66 54 A 17 ILE H A 16 TYR H 1.0 . 6.08 67 55 A 17 ILE HD1% A 32 SER HA 1.0 . 6.57 68 56 A 17 ILE H A 17 ILE HG1y 1.0 . 5.87 69 57 A 85 TYR H A 84 VAL HGx% 1.0 . 6.53 70 58 A 17 ILE H A 17 ILE HG1x 1.0 . 5.87 71 59 A 30 ILE H A 17 ILE HG1x 1.0 . 5.62 72 60 A 47 PHE HE% A 87 VAL HGx% 1.0 . 7.00 73 61 A 47 PHE HE% A 87 VAL HGy% 1.0 . 7.00 74 62 A 18 ARG H A 17 ILE HD1% 1.0 . 5.50 75 63 A 18 ARG H A 18 ARG HE 1.0 . 5.50 76 64 A 19 VAL H A 18 ARG HGy 1.0 . 6.06 77 65 A 19 VAL HA A 85 TYR H 1.0 . 5.50 78 66 A 20 THR H A 19 VAL HB 1.0 . 5.50 79 67 A 85 TYR H A 19 VAL HGx% 1.0 . 5.62 80 68 A 40 LEU H A 39 LEU HDy% 1.0 . 6.08 81 69 A 72 ILE HG2% A 37 THR HG2% 1.0 . 6.63 82 70 A 41 SER H A 40 LEU HDy% 1.0 . 6.35 83 71 A 20 THR H A 20 THR HG2% 1.0 . 5.85 84 72 A 21 GLU H A 20 THR HG2% 1.0 . 6.57 85 73 A 21 GLU H A 21 GLU HGy 1.0 . 5.50 86 74 A 26 GLU H A 25 ASP H 1.0 . 5.50 87 75 A 26 GLU H A 25 ASP HBy 1.0 . 5.50 88 76 A 26 GLU H A 25 ASP HBx 1.0 . 5.50 89 77 A 39 LEU HA A 40 LEU HA 1.0 . 5.83 90 78 A 50 ALA HA A 89 TYR HA 1.0 . 6.35 91 79 A 64 ARG HA A 65 GLY HAx 1.0 . 6.35 92 79 A 65 GLY HAy A 64 ARG HA 1.0 . 6.35 93 80 A 47 PHE HE% A 28 ILE HG1y 1.0 . 5.84 94 81 A 28 ILE H A 28 ILE HD1% 1.0 . 5.61 95 82 A 30 ILE H A 29 GLU H 1.0 . 6.19 96 83 A 33 GLU H A 36 GLY H 1.0 . 5.99 97 84 A 105 ALA HB% A 106 VAL H 1.0 . 5.92 98 85 A 29 GLU H A 29 GLU HGy 1.0 . 6.16 99 86 A 36 GLY H A 33 GLU HBx 1.0 . 6.04 100 86 A 36 GLY H A 33 GLU HBy 1.0 . 6.04 101 87 A 29 GLU H A 29 GLU HGx 1.0 . 6.16 102 88 A 17 ILE HD1% A 19 VAL HB 1.0 . 6.22 103 89 A 30 ILE H A 30 ILE HG1y 1.0 . 6.03 104 90 A 85 TYR H A 84 VAL HGy% 1.0 . 6.53 105 91 A 56 ARG H A 84 VAL HGy% 1.0 . 6.52 106 92 A 31 PRO HA A 16 TYR HD% 1.0 . 5.50 107 93 A 17 ILE H A 31 PRO HA 1.0 . 5.50 108 94 A 84 VAL H A 83 LEU HG 1.0 . 6.36 109 95 A 30 ILE HB A 31 PRO HDx 1.0 . 5.68 110 96 A 31 PRO HDy A 30 ILE HB 1.0 . 5.68 111 97 A 31 PRO HDy A 30 ILE HD1% 1.0 . 5.81 112 98 A 87 VAL HA A 86 VAL HGx% 1.0 . 6.36 113 99 A 32 SER H A 16 TYR HD% 1.0 . 6.11 114 100 A 84 VAL H A 55 TYR HE% 1.0 . 6.40 115 101 A 17 ILE H A 32 SER H 1.0 . 5.89 116 102 A 84 VAL H A 85 TYR H 1.0 . 6.34 117 103 A 33 GLU H A 33 GLU HGx 1.0 . 5.88 118 103 A 33 GLU H A 33 GLU HGy 1.0 . 5.88 119 104 A 33 GLU H A 34 ASP H 1.0 . 5.50 120 105 A 34 ASP H A 33 GLU HBx 1.0 . 5.50 121 105 A 34 ASP H A 33 GLU HBy 1.0 . 5.50 122 106 A 34 ASP H A 36 GLY H 1.0 . 5.50 123 107 A 33 GLU HA A 34 ASP HBx 1.0 . 5.50 124 107 A 34 ASP HBy A 33 GLU HA 1.0 . 5.50 125 108 A 23 GLU H A 22 ASP H 1.0 . 6.06 126 109 A 33 GLU H A 37 THR H 1.0 . 6.37 127 110 A 39 LEU HA A 40 LEU HDx% 1.0 . 7.00 128 111 A 39 LEU HA A 40 LEU HDy% 1.0 . 7.00 129 112 A 39 LEU H A 39 LEU HDy% 1.0 . 6.11 130 113 A 39 LEU H A 39 LEU HDx% 1.0 . 6.11 131 114 A 40 LEU H A 40 LEU HDx% 1.0 . 6.35 132 115 A 40 LEU H A 40 LEU HDy% 1.0 . 6.35 133 116 A 40 LEU H A 40 LEU HG 1.0 . 6.87 134 117 A 40 LEU HA A 40 LEU HDx% 1.0 . 5.85 135 118 A 40 LEU H A 39 LEU HDx% 1.0 . 6.08 136 119 A 41 SER H A 40 LEU HDx% 1.0 . 6.35 137 120 A 39 LEU H A 42 THR H 1.0 . 5.50 138 121 A 42 THR H A 39 LEU HG 1.0 . 5.50 139 122 A 45 ALA H A 44 THR HB 1.0 . 6.03 140 123 A 43 VAL H A 40 LEU HDx% 1.0 . 6.79 141 124 A 30 ILE HD1% A 31 PRO HDx 1.0 . 5.81 142 125 A 43 VAL HA A 46 GLN H 1.0 . 5.50 143 126 A 37 THR HG2% A 74 HIS HD2 1.0 . 6.19 144 127 A 44 THR H A 43 VAL HGy% 1.0 . 5.50 145 128 A 44 THR H A 41 SER H 1.0 . 5.50 146 129 A 44 THR H A 42 THR H 1.0 . 5.50 147 130 A 47 PHE HZ A 21 GLU HA 1.0 . 6.14 148 131 A 43 VAL H A 44 THR HA 1.0 . 6.93 149 132 A 42 THR HG2% A 43 VAL HB 1.0 . 6.10 150 133 A 50 ALA H A 44 THR HG2% 1.0 . 5.65 151 134 A 44 THR H A 45 ALA HB% 1.0 . 6.42 152 135 A 47 PHE HD% A 46 GLN HGy 1.0 . 6.12 153 136 A 45 ALA H A 47 PHE H 1.0 . 5.50 154 137 A 47 PHE HA A 47 PHE HD% 1.0 . 5.50 155 138 A 47 PHE HA A 47 PHE HE% 1.0 . 5.50 156 139 A 47 PHE HA A 50 ALA HB% 1.0 . 6.07 157 140 A 47 PHE HA A 85 TYR HE% 1.0 . 7.00 158 141 A 89 TYR HE% A 51 CYS HA 1.0 . 7.00 159 142 A 89 TYR HD% A 51 CYS HA 1.0 . 5.50 160 143 A 43 VAL H A 40 LEU HDy% 1.0 . 6.79 161 144 A 47 PHE HZ A 21 GLU HBy 1.0 . 6.44 162 145 A 47 PHE HD% A 46 GLN HGx 1.0 . 6.12 163 146 A 47 PHE HZ A 21 GLU HBx 1.0 . 6.44 164 147 A 47 PHE HE% A 19 VAL HB 1.0 . 5.50 165 148 A 72 ILE HG2% A 74 HIS HD2 1.0 . 5.68 166 149 A 47 PHE HE% A 21 GLU H 1.0 . 5.84 167 150 A 47 PHE HE% A 28 ILE HG1x 1.0 . 5.84 168 151 A 47 PHE HE% A 28 ILE HD1% 1.0 . 5.64 169 152 A 47 PHE HE% A 46 GLN HBy 1.0 . 6.39 170 153 A 47 PHE HE% A 46 GLN HBx 1.0 . 6.39 171 154 A 47 PHE HE% A 21 GLU HGy 1.0 . 6.14 172 155 A 52 GLY H A 50 ALA HA 1.0 . 5.50 173 156 A 50 ALA HA A 89 TYR HE% 1.0 . 5.50 174 157 A 50 ALA H A 51 CYS H 1.0 . 5.50 175 158 A 19 VAL H A 18 ARG HGx 1.0 . 6.06 176 159 A 53 LEU H A 53 LEU HDx% 1.0 . 6.51 177 160 A 53 LEU H A 53 LEU HDy% 1.0 . 6.51 178 161 A 54 ARG H A 53 LEU HDy% 1.0 . 6.31 179 162 A 54 ARG HA A 86 VAL HB 1.0 . 6.35 180 163 A 54 ARG HA A 85 TYR HE% 1.0 . 6.49 181 164 A 56 ARG H A 55 TYR HD% 1.0 . 6.49 182 165 A 56 ARG H A 55 TYR HE% 1.0 . 5.64 183 166 A 55 TYR HE% A 57 ASN HBx 1.0 . 6.45 184 167 A 56 ARG H A 56 ARG HGx 1.0 . 5.50 185 167 A 56 ARG H A 56 ARG HGy 1.0 . 5.50 186 168 A 60 SER H A 59 VAL HGx% 1.0 . 5.67 187 169 A 60 SER H A 59 VAL HGy% 1.0 . 5.67 188 170 A 61 GLN HE2y A 61 GLN HBx 1.0 . 5.50 189 170 A 61 GLN HBy A 61 GLN HE2y 1.0 . 5.50 190 171 A 15 GLU H A 15 GLU HGx 1.0 . 5.88 191 171 A 15 GLU H A 15 GLU HGy 1.0 . 5.88 192 172 A 61 GLN H A 61 GLN HGx 1.0 . 6.34 193 172 A 61 GLN HGy A 61 GLN H 1.0 . 6.34 194 173 A 63 MET H A 62 CYS HBy 1.0 . 5.94 195 174 A 64 ARG H A 63 MET H 1.0 . 5.50 196 175 A 83 LEU HA A 55 TYR HE% 1.0 . 7.00 197 176 A 19 VAL H A 27 PRO HBy 1.0 . 6.16 198 177 A 55 TYR HD% A 66 VAL HGx% 1.0 . 6.03 199 178 A 55 TYR HE% A 66 VAL HGx% 1.0 . 6.34 200 179 A 75 ALA HB% A 66 VAL HGx% 1.0 . 6.34 201 180 A 75 ALA HB% A 66 VAL HGy% 1.0 . 6.34 202 181 A 66 VAL H A 67 ARG H 1.0 . 6.02 203 182 A 67 ARG H A 68 LEU H 1.0 . 6.36 204 183 A 68 LEU HA A 74 HIS HD2 1.0 . 5.99 205 184 A 73 LEU HA A 74 HIS HD2 1.0 . 6.35 206 185 A 68 LEU HG A 68 LEU H 1.0 . 6.43 207 186 A 68 LEU HG A 71 GLY H 1.0 . 5.69 208 187 A 69 VAL H A 68 LEU H 1.0 . 5.50 209 188 A 69 VAL H A 68 LEU HG 1.0 . 5.94 210 189 A 69 VAL H A 74 HIS H 1.0 . 5.50 211 190 A 69 VAL HB A 70 GLU H 1.0 . 5.97 212 191 A 70 GLU H A 71 GLY H 1.0 . 5.50 213 192 A 72 ILE H A 71 GLY H 1.0 . 5.63 214 193 A 40 LEU H A 72 ILE HA 1.0 . 5.50 215 194 A 72 ILE HB A 74 HIS HD2 1.0 . 5.50 216 195 A 72 ILE H A 72 ILE HG1x 1.0 . 5.50 217 196 A 40 LEU HA A 40 LEU HDy% 1.0 . 5.85 218 197 A 73 LEU H A 38 VAL HB 1.0 . 5.50 219 198 A 40 LEU H A 73 LEU H 1.0 . 5.50 220 199 A 67 ARG H A 74 HIS H 1.0 . 5.62 221 200 A 39 LEU H A 42 THR HG2% 1.0 . 6.09 222 201 A 56 ARG H A 84 VAL HGx% 1.0 . 6.52 223 202 A 74 HIS H A 66 VAL HGx% 1.0 . 7.00 224 203 A 74 HIS H A 66 VAL HGy% 1.0 . 7.00 225 204 A 74 HIS H A 73 LEU HDx% 1.0 . 6.42 226 205 A 75 ALA HB% A 74 HIS HA 1.0 . 5.50 227 206 A 75 ALA H A 74 HIS HBy 1.0 . 5.50 228 207 A 69 VAL H A 74 HIS HD2 1.0 . 5.50 229 208 A 69 VAL HGx% A 74 HIS HD2 1.0 . 6.36 230 209 A 74 HIS HD2 A 69 VAL HGy% 1.0 . 6.36 231 210 A 74 HIS H A 74 HIS HD2 1.0 . 5.50 232 211 A 75 ALA H A 74 HIS HBx 1.0 . 5.50 233 212 A 87 VAL H A 86 VAL HB 1.0 . 6.55 234 213 A 77 ASP HA A 79 GLY H 1.0 . 5.50 235 214 A 77 ASP H A 78 ALA H 1.0 . 5.50 236 215 A 25 ASP H A 22 ASP HBx 1.0 . 5.74 237 215 A 22 ASP HBy A 25 ASP H 1.0 . 5.74 238 216 A 17 ILE HG2% A 80 TRP HBy 1.0 . 5.50 239 217 A 81 GLY H A 80 TRP HBy 1.0 . 5.50 240 218 A 81 GLY H A 80 TRP HBx 1.0 . 5.50 241 219 A 80 TRP HH2 A 66 VAL HGy% 1.0 . 6.78 242 220 A 73 LEU H A 80 TRP HH2 1.0 . 5.84 243 221 A 74 HIS H A 80 TRP HH2 1.0 . 5.50 244 222 A 80 TRP HZ2 A 75 ALA H 1.0 . 6.50 245 223 A 83 LEU H A 82 ASN H 1.0 . 5.55 246 224 A 83 LEU HA A 83 LEU HDx% 1.0 . 5.93 247 225 A 55 TYR HE% A 83 LEU HDx% 1.0 . 5.56 248 226 A 55 TYR HE% A 83 LEU HDy% 1.0 . 5.56 249 227 A 83 LEU HA A 83 LEU HDy% 1.0 . 5.93 250 228 A 84 VAL HA A 56 ARG HE 1.0 . 7.00 251 229 A 84 VAL HA A 20 THR HG2% 1.0 . 6.35 252 230 A 50 ALA H A 89 TYR HE% 1.0 . 5.50 253 231 A 50 ALA HB% A 89 TYR HE% 1.0 . 6.51 254 232 A 30 ILE H A 17 ILE HG1y 1.0 . 5.62 255 233 A 54 ARG H A 53 LEU HDx% 1.0 . 6.31 256 234 A 87 VAL H A 86 VAL HGy% 1.0 . 5.50 257 235 A 87 VAL HA A 86 VAL HGy% 1.0 . 6.36 258 236 A 47 PHE HD% A 87 VAL HGx% 1.0 . 6.41 259 237 A 47 PHE HD% A 87 VAL HGy% 1.0 . 6.41 260 238 A 87 VAL H A 87 VAL HGx% 1.0 . 5.99 261 239 A 87 VAL H A 87 VAL HGy% 1.0 . 5.99 262 240 A 50 ALA HA A 87 VAL HGx% 1.0 . 6.29 263 241 A 50 ALA HA A 87 VAL HGy% 1.0 . 6.29 264 242 A 50 ALA HB% A 87 VAL HGx% 1.0 . 6.05 265 243 A 50 ALA HB% A 87 VAL HGy% 1.0 . 6.05 266 244 A 50 ALA H A 87 VAL HGx% 1.0 . 6.35 267 245 A 50 ALA H A 87 VAL HGy% 1.0 . 6.35 268 246 A 51 CYS H A 87 VAL HGx% 1.0 . 6.43 269 247 A 51 CYS H A 87 VAL HGy% 1.0 . 6.43 270 248 A 52 GLY H A 87 VAL HGx% 1.0 . 6.38 271 249 A 52 GLY H A 87 VAL HGy% 1.0 . 6.38 272 250 A 88 ASN H A 50 ALA HB% 1.0 . 5.50 273 251 A 88 ASN H A 87 VAL HGx% 1.0 . 6.23 274 252 A 88 ASN H A 87 VAL HGy% 1.0 . 6.23 275 253 A 51 CYS H A 89 TYR HD% 1.0 . 5.50 276 254 A 93 ASN H A 92 ASP HBx 1.0 . 6.14 277 254 A 92 ASP HBy A 93 ASN H 1.0 . 6.14 278 255 A 34 ASP HA A 36 GLY H 1.0 . 5.50 279 256 A 104 SER HBy A 105 ALA H 1.0 . 6.41 280 257 A 105 ALA H A 104 SER HBx 1.0 . 6.41 281 258 A 111 ALA HB% A 112 VAL H 1.0 . 6.51 282 259 A 106 VAL H A 106 VAL HGx% 1.0 . 6.49 283 260 A 28 ILE HD1% A 29 GLU H 1.0 . 6.27 284 261 A 106 VAL H A 106 VAL HGy% 1.0 . 6.49 285 262 A 109 LYS H A 109 LYS HDx 1.0 . 5.50 286 262 A 109 LYS H A 109 LYS HDy 1.0 . 5.50 287 263 A 35 ASP H A 34 ASP HBx 1.0 . 5.76 288 263 A 34 ASP HBy A 35 ASP H 1.0 . 5.76 289 264 A 32 SER H A 15 GLU HBy 1.0 . 5.76 290 264 A 32 SER H A 15 GLU HBx 1.0 . 5.76 291 265 A 16 TYR H A 15 GLU HGx 1.0 . 5.34 292 265 A 16 TYR H A 15 GLU HGy 1.0 . 5.34 293 266 A 16 TYR HBy A 17 ILE HG1x 1.0 . 5.18 294 266 A 16 TYR HBx A 17 ILE HG1x 1.0 . 5.18 295 266 A 17 ILE HG1y A 16 TYR HBx 1.0 . 5.18 296 266 A 16 TYR HBy A 17 ILE HG1y 1.0 . 5.18 297 267 A 16 TYR HBy A 30 ILE HG1x 1.0 . 5.78 298 267 A 16 TYR HBx A 30 ILE HG1x 1.0 . 5.78 299 267 A 30 ILE HG1y A 16 TYR HBx 1.0 . 5.78 300 267 A 16 TYR HBy A 30 ILE HG1y 1.0 . 5.78 301 268 A 16 TYR HD% A 18 ARG HBy 1.0 . 5.31 302 268 A 16 TYR HD% A 18 ARG HBx 1.0 . 5.31 303 269 A 16 TYR HD% A 29 GLU HGx 1.0 . 6.74 304 269 A 16 TYR HD% A 29 GLU HGy 1.0 . 6.74 305 270 A 16 TYR HD% A 31 PRO HBx 1.0 . 5.66 306 270 A 31 PRO HBy A 16 TYR HD% 1.0 . 5.66 307 271 A 16 TYR HD% A 31 PRO HDx 1.0 . 6.74 308 271 A 16 TYR HD% A 31 PRO HDy 1.0 . 6.74 309 272 A 17 ILE H A 17 ILE HG1x 1.0 . 5.05 310 272 A 17 ILE H A 17 ILE HG1y 1.0 . 5.05 311 273 A 17 ILE H A 18 ARG HBy 1.0 . 5.66 312 273 A 17 ILE H A 18 ARG HBx 1.0 . 5.66 313 274 A 17 ILE H A 18 ARG HGy 1.0 . 6.74 314 274 A 17 ILE H A 18 ARG HGx 1.0 . 6.74 315 275 A 17 ILE HG2% A 19 VAL HGy% 1.0 . 5.30 316 275 A 17 ILE HG2% A 19 VAL HGx% 1.0 . 5.30 317 276 A 17 ILE HG2% A 83 LEU HDy% 1.0 . 6.88 318 276 A 17 ILE HG2% A 83 LEU HDx% 1.0 . 6.88 319 277 A 18 ARG H A 17 ILE HG1x 1.0 . 6.13 320 277 A 18 ARG H A 17 ILE HG1y 1.0 . 6.13 321 278 A 17 ILE HG1y A 19 VAL HGy% 1.0 . 5.68 322 278 A 17 ILE HG1x A 19 VAL HGy% 1.0 . 5.68 323 278 A 19 VAL HGx% A 17 ILE HG1x 1.0 . 5.68 324 278 A 17 ILE HG1y A 19 VAL HGx% 1.0 . 5.68 325 279 A 30 ILE H A 17 ILE HG1x 1.0 . 4.95 326 279 A 30 ILE H A 17 ILE HG1y 1.0 . 4.95 327 280 A 30 ILE HB A 17 ILE HG1x 1.0 . 5.34 328 280 A 30 ILE HB A 17 ILE HG1y 1.0 . 5.34 329 281 A 17 ILE HG1x A 30 ILE HG1x 1.0 . 5.91 330 281 A 17 ILE HG1y A 30 ILE HG1x 1.0 . 5.91 331 281 A 30 ILE HG1y A 17 ILE HG1x 1.0 . 5.91 332 281 A 17 ILE HG1y A 30 ILE HG1y 1.0 . 5.91 333 282 A 30 ILE HD1% A 17 ILE HG1x 1.0 . 5.80 334 282 A 30 ILE HD1% A 17 ILE HG1y 1.0 . 5.80 335 283 A 17 ILE HG1x A 32 SER HBx 1.0 . 4.92 336 283 A 32 SER HBy A 17 ILE HG1x 1.0 . 4.92 337 283 A 32 SER HBy A 17 ILE HG1y 1.0 . 4.92 338 283 A 17 ILE HG1y A 32 SER HBx 1.0 . 4.92 339 284 A 80 TRP HD1 A 17 ILE HG1x 1.0 . 6.74 340 284 A 80 TRP HD1 A 17 ILE HG1y 1.0 . 6.74 341 285 A 17 ILE HD1% A 19 VAL HGy% 1.0 . 4.97 342 285 A 17 ILE HD1% A 19 VAL HGx% 1.0 . 4.97 343 286 A 17 ILE HD1% A 30 ILE HG1x 1.0 . 5.34 344 286 A 17 ILE HD1% A 30 ILE HG1y 1.0 . 5.34 345 287 A 17 ILE HD1% A 43 VAL HGy% 1.0 . 6.43 346 287 A 17 ILE HD1% A 43 VAL HGx% 1.0 . 6.43 347 288 A 17 ILE HD1% A 73 LEU HDy% 1.0 . 6.88 348 288 A 17 ILE HD1% A 73 LEU HDx% 1.0 . 6.88 349 289 A 17 ILE HD1% A 83 LEU HDy% 1.0 . 6.88 350 289 A 17 ILE HD1% A 83 LEU HDx% 1.0 . 6.88 351 290 A 18 ARG H A 18 ARG HDy 1.0 . 5.16 352 290 A 18 ARG H A 18 ARG HDx 1.0 . 5.16 353 291 A 18 ARG H A 19 VAL HGy% 1.0 . 5.90 354 291 A 18 ARG H A 19 VAL HGx% 1.0 . 5.90 355 292 A 18 ARG H A 80 TRP HBy 1.0 . 6.25 356 292 A 18 ARG H A 80 TRP HBx 1.0 . 6.25 357 293 A 18 ARG HA A 18 ARG HDy 1.0 . 5.51 358 293 A 18 ARG HA A 18 ARG HDx 1.0 . 5.51 359 294 A 18 ARG HE A 18 ARG HBy 1.0 . 4.96 360 294 A 18 ARG HE A 18 ARG HBx 1.0 . 4.96 361 295 A 18 ARG HBy A 29 GLU HBx 1.0 . 5.18 362 295 A 18 ARG HBx A 29 GLU HBx 1.0 . 5.18 363 295 A 29 GLU HBy A 18 ARG HBy 1.0 . 5.18 364 295 A 29 GLU HBy A 18 ARG HBx 1.0 . 5.18 365 296 A 19 VAL H A 18 ARG HGy 1.0 . 5.21 366 296 A 19 VAL H A 18 ARG HGx 1.0 . 5.21 367 297 A 18 ARG HE A 29 GLU HBx 1.0 . 6.14 368 297 A 18 ARG HE A 29 GLU HBy 1.0 . 6.14 369 298 A 19 VAL H A 27 PRO HBy 1.0 . 5.42 370 298 A 19 VAL H A 27 PRO HBx 1.0 . 5.42 371 299 A 19 VAL H A 28 ILE HG1x 1.0 . 6.30 372 299 A 19 VAL H A 28 ILE HG1y 1.0 . 6.30 373 300 A 19 VAL HA A 83 LEU HDy% 1.0 . 5.64 374 300 A 19 VAL HA A 83 LEU HDx% 1.0 . 5.64 375 301 A 19 VAL HB A 46 GLN HE2x 1.0 . 5.96 376 301 A 19 VAL HB A 46 GLN HE2y 1.0 . 5.96 377 302 A 19 VAL HB A 85 TYR HBx 1.0 . 5.98 378 302 A 19 VAL HB A 85 TYR HBy 1.0 . 5.98 379 303 A 20 THR HA A 19 VAL HGy% 1.0 . 5.44 380 303 A 20 THR HA A 19 VAL HGx% 1.0 . 5.44 381 304 A 19 VAL HGy% A 46 GLN HE2x 1.0 . 6.60 382 304 A 46 GLN HE2y A 19 VAL HGy% 1.0 . 6.60 383 304 A 46 GLN HE2y A 19 VAL HGx% 1.0 . 6.60 384 304 A 19 VAL HGx% A 46 GLN HE2x 1.0 . 6.60 385 305 A 47 PHE HZ A 19 VAL HGy% 1.0 . 6.88 386 305 A 47 PHE HZ A 19 VAL HGx% 1.0 . 6.88 387 306 A 80 TRP HZ3 A 19 VAL HGy% 1.0 . 6.75 388 306 A 80 TRP HZ3 A 19 VAL HGx% 1.0 . 6.75 389 307 A 19 VAL HGx% A 85 TYR HBx 1.0 . 4.42 390 307 A 85 TYR HBy A 19 VAL HGy% 1.0 . 4.42 391 307 A 19 VAL HGx% A 85 TYR HBy 1.0 . 4.42 392 307 A 19 VAL HGy% A 85 TYR HBx 1.0 . 4.42 393 308 A 85 TYR HD% A 19 VAL HGy% 1.0 . 6.19 394 308 A 85 TYR HD% A 19 VAL HGx% 1.0 . 6.19 395 309 A 20 THR H A 86 VAL HGy% 1.0 . 6.88 396 309 A 20 THR H A 86 VAL HGx% 1.0 . 6.88 397 310 A 20 THR HB A 84 VAL HGy% 1.0 . 5.52 398 310 A 20 THR HB A 84 VAL HGx% 1.0 . 5.52 399 311 A 20 THR HG2% A 84 VAL HGy% 1.0 . 6.41 400 311 A 84 VAL HGx% A 20 THR HG2% 1.0 . 6.41 401 312 A 21 GLU H A 86 VAL HGy% 1.0 . 6.88 402 312 A 21 GLU H A 86 VAL HGx% 1.0 . 6.88 403 313 A 47 PHE HD% A 21 GLU HBx 1.0 . 5.99 404 313 A 47 PHE HD% A 21 GLU HBy 1.0 . 5.99 405 314 A 47 PHE HE% A 21 GLU HBx 1.0 . 5.16 406 314 A 47 PHE HE% A 21 GLU HBy 1.0 . 5.16 407 315 A 47 PHE HZ A 21 GLU HBx 1.0 . 5.67 408 315 A 47 PHE HZ A 21 GLU HBy 1.0 . 5.67 409 316 A 85 TYR HD% A 21 GLU HBx 1.0 . 6.16 410 316 A 85 TYR HD% A 21 GLU HBy 1.0 . 6.16 411 317 A 85 TYR HE% A 21 GLU HBx 1.0 . 5.66 412 317 A 85 TYR HE% A 21 GLU HBy 1.0 . 5.66 413 318 A 21 GLU HBy A 87 VAL HGy% 1.0 . 5.06 414 318 A 21 GLU HBx A 87 VAL HGy% 1.0 . 5.06 415 318 A 87 VAL HGx% A 21 GLU HBx 1.0 . 5.06 416 318 A 87 VAL HGx% A 21 GLU HBy 1.0 . 5.06 417 319 A 47 PHE HE% A 21 GLU HGx 1.0 . 5.30 418 319 A 47 PHE HE% A 21 GLU HGy 1.0 . 5.30 419 320 A 47 PHE HZ A 21 GLU HGx 1.0 . 5.95 420 320 A 47 PHE HZ A 21 GLU HGy 1.0 . 5.95 421 321 A 22 ASP H A 25 ASP HBy 1.0 . 5.08 422 321 A 22 ASP H A 25 ASP HBx 1.0 . 5.08 423 322 A 28 ILE HG2% A 46 GLN HE2x 1.0 . 5.63 424 322 A 28 ILE HG2% A 46 GLN HE2y 1.0 . 5.63 425 323 A 28 ILE HG1x A 46 GLN HE2x 1.0 . 4.91 426 323 A 28 ILE HG1y A 46 GLN HE2x 1.0 . 4.91 427 323 A 46 GLN HE2y A 28 ILE HG1x 1.0 . 4.91 428 323 A 28 ILE HG1y A 46 GLN HE2y 1.0 . 4.91 429 324 A 47 PHE HE% A 28 ILE HG1x 1.0 . 5.04 430 324 A 47 PHE HE% A 28 ILE HG1y 1.0 . 5.04 431 325 A 28 ILE HD1% A 46 GLN HGx 1.0 . 5.79 432 325 A 28 ILE HD1% A 46 GLN HGy 1.0 . 5.79 433 326 A 28 ILE HD1% A 46 GLN HE2x 1.0 . 5.46 434 326 A 28 ILE HD1% A 46 GLN HE2y 1.0 . 5.46 435 327 A 30 ILE HB A 31 PRO HDx 1.0 . 4.98 436 327 A 31 PRO HDy A 30 ILE HB 1.0 . 4.98 437 328 A 30 ILE HG1x A 31 PRO HDx 1.0 . 5.87 438 328 A 30 ILE HG1y A 31 PRO HDx 1.0 . 5.87 439 328 A 31 PRO HDy A 30 ILE HG1x 1.0 . 5.87 440 328 A 31 PRO HDy A 30 ILE HG1y 1.0 . 5.87 441 329 A 30 ILE HD1% A 31 PRO HGx 1.0 . 5.66 442 329 A 30 ILE HD1% A 31 PRO HGy 1.0 . 5.66 443 330 A 30 ILE HD1% A 31 PRO HDx 1.0 . 5.07 444 330 A 31 PRO HDy A 30 ILE HD1% 1.0 . 5.07 445 331 A 33 GLU HBy A 38 VAL HGy% 1.0 . 6.88 446 331 A 33 GLU HBx A 38 VAL HGy% 1.0 . 6.88 447 331 A 38 VAL HGx% A 33 GLU HBx 1.0 . 6.88 448 331 A 38 VAL HGx% A 33 GLU HBy 1.0 . 6.88 449 332 A 33 GLU HGy A 35 ASP HBy 1.0 . 6.29 450 332 A 35 ASP HBx A 33 GLU HGx 1.0 . 6.29 451 332 A 33 GLU HGy A 35 ASP HBx 1.0 . 6.29 452 332 A 33 GLU HGx A 35 ASP HBy 1.0 . 6.29 453 333 A 34 ASP HBy A 35 ASP HBy 1.0 . 5.34 454 333 A 34 ASP HBx A 35 ASP HBy 1.0 . 5.34 455 333 A 35 ASP HBx A 34 ASP HBx 1.0 . 5.34 456 333 A 34 ASP HBy A 35 ASP HBx 1.0 . 5.34 457 334 A 37 THR HG2% A 38 VAL HGy% 1.0 . 5.86 458 334 A 37 THR HG2% A 38 VAL HGx% 1.0 . 5.86 459 335 A 37 THR HG2% A 74 HIS HBx 1.0 . 5.50 460 335 A 37 THR HG2% A 74 HIS HBy 1.0 . 5.50 461 336 A 38 VAL HB A 73 LEU HBx 1.0 . 6.22 462 336 A 38 VAL HB A 73 LEU HBy 1.0 . 6.22 463 337 A 40 LEU HA A 38 VAL HGy% 1.0 . 5.62 464 337 A 40 LEU HA A 38 VAL HGx% 1.0 . 5.62 465 338 A 42 THR H A 38 VAL HGy% 1.0 . 5.44 466 338 A 42 THR H A 38 VAL HGx% 1.0 . 5.44 467 339 A 42 THR HA A 38 VAL HGy% 1.0 . 6.38 468 339 A 42 THR HA A 38 VAL HGx% 1.0 . 6.38 469 340 A 42 THR HG2% A 38 VAL HGy% 1.0 . 5.48 470 340 A 42 THR HG2% A 38 VAL HGx% 1.0 . 5.48 471 341 A 43 VAL H A 38 VAL HGy% 1.0 . 5.44 472 341 A 43 VAL H A 38 VAL HGx% 1.0 . 5.44 473 342 A 38 VAL HGx% A 43 VAL HGy% 1.0 . 5.13 474 342 A 38 VAL HGy% A 43 VAL HGy% 1.0 . 5.13 475 342 A 43 VAL HGx% A 38 VAL HGy% 1.0 . 5.13 476 342 A 38 VAL HGx% A 43 VAL HGx% 1.0 . 5.13 477 343 A 72 ILE HG2% A 38 VAL HGy% 1.0 . 6.61 478 343 A 72 ILE HG2% A 38 VAL HGx% 1.0 . 6.61 479 344 A 38 VAL HGx% A 73 LEU HBx 1.0 . 4.76 480 344 A 38 VAL HGy% A 73 LEU HBx 1.0 . 4.76 481 344 A 73 LEU HBy A 38 VAL HGy% 1.0 . 4.76 482 344 A 38 VAL HGx% A 73 LEU HBy 1.0 . 4.76 483 345 A 38 VAL HGy% A 73 LEU HDy% 1.0 . 5.82 484 345 A 38 VAL HGx% A 73 LEU HDy% 1.0 . 5.82 485 345 A 73 LEU HDx% A 38 VAL HGy% 1.0 . 5.82 486 345 A 38 VAL HGx% A 73 LEU HDx% 1.0 . 5.82 487 346 A 80 TRP HD1 A 38 VAL HGy% 1.0 . 6.88 488 346 A 80 TRP HD1 A 38 VAL HGx% 1.0 . 6.88 489 347 A 80 TRP HZ2 A 38 VAL HGy% 1.0 . 4.96 490 347 A 80 TRP HZ2 A 38 VAL HGx% 1.0 . 4.96 491 348 A 39 LEU H A 43 VAL HGy% 1.0 . 5.98 492 348 A 39 LEU H A 43 VAL HGx% 1.0 . 5.98 493 349 A 39 LEU HA A 73 LEU HDy% 1.0 . 6.88 494 349 A 39 LEU HA A 73 LEU HDx% 1.0 . 6.88 495 350 A 40 LEU HA A 39 LEU HBx 1.0 . 5.84 496 350 A 40 LEU HA A 39 LEU HBy 1.0 . 5.84 497 351 A 39 LEU HBx A 40 LEU HDy% 1.0 . 5.82 498 351 A 40 LEU HDx% A 39 LEU HBx 1.0 . 5.82 499 351 A 39 LEU HBy A 40 LEU HDx% 1.0 . 5.82 500 351 A 39 LEU HBy A 40 LEU HDy% 1.0 . 5.82 501 352 A 41 SER H A 39 LEU HDy% 1.0 . 6.63 502 352 A 41 SER H A 39 LEU HDx% 1.0 . 6.63 503 353 A 39 LEU HDy% A 41 SER HBx 1.0 . 5.41 504 353 A 39 LEU HDx% A 41 SER HBx 1.0 . 5.41 505 353 A 41 SER HBy A 39 LEU HDy% 1.0 . 5.41 506 353 A 39 LEU HDx% A 41 SER HBy 1.0 . 5.41 507 354 A 42 THR H A 39 LEU HDy% 1.0 . 5.72 508 354 A 42 THR H A 39 LEU HDx% 1.0 . 5.72 509 355 A 40 LEU H A 43 VAL HGy% 1.0 . 5.66 510 355 A 40 LEU H A 43 VAL HGx% 1.0 . 5.66 511 356 A 40 LEU H A 68 LEU HDy% 1.0 . 6.32 512 356 A 40 LEU H A 68 LEU HDx% 1.0 . 6.32 513 357 A 40 LEU H A 73 LEU HDy% 1.0 . 6.88 514 357 A 40 LEU H A 73 LEU HDx% 1.0 . 6.88 515 358 A 40 LEU HA A 43 VAL HGy% 1.0 . 6.37 516 358 A 40 LEU HA A 43 VAL HGx% 1.0 . 6.37 517 359 A 40 LEU HBy A 43 VAL HGy% 1.0 . 5.91 518 359 A 40 LEU HBx A 43 VAL HGy% 1.0 . 5.91 519 359 A 43 VAL HGx% A 40 LEU HBx 1.0 . 5.91 520 359 A 40 LEU HBy A 43 VAL HGx% 1.0 . 5.91 521 360 A 40 LEU HG A 71 GLY HAx 1.0 . 5.34 522 360 A 71 GLY HAy A 40 LEU HG 1.0 . 5.34 523 361 A 43 VAL HA A 40 LEU HDy% 1.0 . 5.44 524 361 A 43 VAL HA A 40 LEU HDx% 1.0 . 5.44 525 362 A 50 ALA HB% A 40 LEU HDy% 1.0 . 6.10 526 362 A 50 ALA HB% A 40 LEU HDx% 1.0 . 6.10 527 363 A 68 LEU HG A 40 LEU HDy% 1.0 . 6.03 528 363 A 68 LEU HG A 40 LEU HDx% 1.0 . 6.03 529 364 A 40 LEU HDx% A 71 GLY HAx 1.0 . 5.35 530 364 A 40 LEU HDy% A 71 GLY HAx 1.0 . 5.35 531 364 A 71 GLY HAy A 40 LEU HDy% 1.0 . 5.35 532 364 A 40 LEU HDx% A 71 GLY HAy 1.0 . 5.35 533 365 A 42 THR H A 43 VAL HGy% 1.0 . 6.28 534 365 A 42 THR H A 43 VAL HGx% 1.0 . 6.28 535 366 A 42 THR HB A 43 VAL HGy% 1.0 . 5.95 536 366 A 42 THR HB A 43 VAL HGx% 1.0 . 5.95 537 367 A 43 VAL HA A 46 GLN HBx 1.0 . 6.12 538 367 A 43 VAL HA A 46 GLN HBy 1.0 . 6.12 539 368 A 43 VAL HGy% A 46 GLN HE2x 1.0 . 6.60 540 368 A 43 VAL HGx% A 46 GLN HE2x 1.0 . 6.60 541 368 A 46 GLN HE2y A 43 VAL HGy% 1.0 . 6.60 542 368 A 46 GLN HE2y A 43 VAL HGx% 1.0 . 6.60 543 369 A 47 PHE HA A 43 VAL HGy% 1.0 . 5.77 544 369 A 47 PHE HA A 43 VAL HGx% 1.0 . 5.77 545 370 A 43 VAL HGx% A 47 PHE HBx 1.0 . 5.28 546 370 A 43 VAL HGy% A 47 PHE HBx 1.0 . 5.28 547 370 A 47 PHE HBy A 43 VAL HGy% 1.0 . 5.28 548 370 A 43 VAL HGx% A 47 PHE HBy 1.0 . 5.28 549 371 A 47 PHE HD% A 43 VAL HGy% 1.0 . 5.57 550 371 A 47 PHE HD% A 43 VAL HGx% 1.0 . 5.57 551 372 A 50 ALA HB% A 43 VAL HGy% 1.0 . 5.63 552 372 A 50 ALA HB% A 43 VAL HGx% 1.0 . 5.63 553 373 A 43 VAL HGx% A 85 TYR HBx 1.0 . 5.86 554 373 A 85 TYR HBy A 43 VAL HGy% 1.0 . 5.86 555 373 A 43 VAL HGx% A 85 TYR HBy 1.0 . 5.86 556 373 A 43 VAL HGy% A 85 TYR HBx 1.0 . 5.86 557 374 A 85 TYR HE% A 43 VAL HGy% 1.0 . 6.21 558 374 A 85 TYR HE% A 43 VAL HGx% 1.0 . 6.21 559 375 A 44 THR HB A 48 PRO HBx 1.0 . 6.24 560 375 A 44 THR HB A 48 PRO HBy 1.0 . 6.24 561 376 A 47 PHE HD% A 46 GLN HBx 1.0 . 5.63 562 376 A 47 PHE HD% A 46 GLN HBy 1.0 . 5.63 563 377 A 47 PHE HE% A 46 GLN HBx 1.0 . 5.55 564 377 A 47 PHE HE% A 46 GLN HBy 1.0 . 5.55 565 378 A 47 PHE H A 48 PRO HDy 1.0 . 5.35 566 378 A 47 PHE H A 48 PRO HDx 1.0 . 5.35 567 379 A 50 ALA HB% A 47 PHE HBx 1.0 . 6.13 568 379 A 50 ALA HB% A 47 PHE HBy 1.0 . 6.13 569 380 A 85 TYR HE% A 47 PHE HBx 1.0 . 5.50 570 380 A 85 TYR HE% A 47 PHE HBy 1.0 . 5.50 571 381 A 47 PHE HBy A 87 VAL HGy% 1.0 . 5.19 572 381 A 87 VAL HGx% A 47 PHE HBx 1.0 . 5.19 573 381 A 87 VAL HGx% A 47 PHE HBy 1.0 . 5.19 574 381 A 47 PHE HBx A 87 VAL HGy% 1.0 . 5.19 575 382 A 47 PHE HE% A 87 VAL HGy% 1.0 . 6.14 576 382 A 47 PHE HE% A 87 VAL HGx% 1.0 . 6.14 577 383 A 49 GLY H A 87 VAL HGy% 1.0 . 6.88 578 383 A 49 GLY H A 87 VAL HGx% 1.0 . 6.88 579 384 A 89 TYR HD% A 49 GLY HAx 1.0 . 5.04 580 384 A 89 TYR HD% A 49 GLY HAy 1.0 . 5.04 581 385 A 50 ALA H A 87 VAL HGy% 1.0 . 5.48 582 385 A 50 ALA H A 87 VAL HGx% 1.0 . 5.48 583 386 A 50 ALA HA A 87 VAL HGy% 1.0 . 5.33 584 386 A 50 ALA HA A 87 VAL HGx% 1.0 . 5.33 585 387 A 51 CYS H A 87 VAL HGy% 1.0 . 5.60 586 387 A 51 CYS H A 87 VAL HGx% 1.0 . 5.60 587 388 A 89 TYR HA A 51 CYS HBx 1.0 . 6.05 588 388 A 89 TYR HA A 51 CYS HBy 1.0 . 6.05 589 389 A 52 GLY H A 87 VAL HGy% 1.0 . 5.54 590 389 A 52 GLY H A 87 VAL HGx% 1.0 . 5.54 591 390 A 53 LEU H A 53 LEU HDy% 1.0 . 5.22 592 390 A 53 LEU H A 53 LEU HDx% 1.0 . 5.22 593 391 A 54 ARG HA A 53 LEU HBx 1.0 . 5.65 594 391 A 54 ARG HA A 53 LEU HBy 1.0 . 5.65 595 392 A 54 ARG HE A 54 ARG HBx 1.0 . 5.43 596 392 A 54 ARG HE A 54 ARG HBy 1.0 . 5.43 597 393 A 54 ARG HGy A 86 VAL HGy% 1.0 . 6.13 598 393 A 54 ARG HGx A 86 VAL HGy% 1.0 . 6.13 599 393 A 86 VAL HGx% A 54 ARG HGx 1.0 . 6.13 600 393 A 54 ARG HGy A 86 VAL HGx% 1.0 . 6.13 601 394 A 55 TYR HE% A 57 ASN HBx 1.0 . 5.59 602 394 A 55 TYR HE% A 57 ASN HBy 1.0 . 5.59 603 395 A 55 TYR HE% A 58 PRO HDy 1.0 . 6.49 604 395 A 55 TYR HE% A 58 PRO HDx 1.0 . 6.49 605 396 A 55 TYR HE% A 66 VAL HGy% 1.0 . 5.44 606 396 A 55 TYR HE% A 66 VAL HGx% 1.0 . 5.44 607 397 A 55 TYR HE% A 83 LEU HBx 1.0 . 6.11 608 397 A 55 TYR HE% A 83 LEU HBy 1.0 . 6.11 609 398 A 56 ARG H A 83 LEU HDy% 1.0 . 6.67 610 398 A 56 ARG H A 83 LEU HDx% 1.0 . 6.67 611 399 A 56 ARG H A 84 VAL HGy% 1.0 . 5.22 612 399 A 56 ARG H A 84 VAL HGx% 1.0 . 5.22 613 400 A 56 ARG HBx A 84 VAL HGy% 1.0 . 6.18 614 400 A 56 ARG HBy A 84 VAL HGy% 1.0 . 6.18 615 400 A 84 VAL HGx% A 56 ARG HBx 1.0 . 6.18 616 400 A 84 VAL HGx% A 56 ARG HBy 1.0 . 6.18 617 401 A 56 ARG HBy A 86 VAL HGy% 1.0 . 6.61 618 401 A 56 ARG HBx A 86 VAL HGy% 1.0 . 6.61 619 401 A 86 VAL HGx% A 56 ARG HBx 1.0 . 6.61 620 401 A 56 ARG HBy A 86 VAL HGx% 1.0 . 6.61 621 402 A 56 ARG HGy A 84 VAL HGy% 1.0 . 6.21 622 402 A 56 ARG HGx A 84 VAL HGy% 1.0 . 6.21 623 402 A 84 VAL HGx% A 56 ARG HGx 1.0 . 6.21 624 402 A 84 VAL HGx% A 56 ARG HGy 1.0 . 6.21 625 403 A 56 ARG HDx A 84 VAL HGy% 1.0 . 5.75 626 403 A 56 ARG HDy A 84 VAL HGy% 1.0 . 5.75 627 403 A 84 VAL HGx% A 56 ARG HDx 1.0 . 5.75 628 403 A 56 ARG HDy A 84 VAL HGx% 1.0 . 5.75 629 404 A 56 ARG HE A 84 VAL HGy% 1.0 . 5.96 630 404 A 56 ARG HE A 84 VAL HGx% 1.0 . 5.96 631 405 A 57 ASN HD2y A 64 ARG HGx 1.0 . 6.30 632 405 A 57 ASN HD2x A 64 ARG HGx 1.0 . 6.30 633 405 A 64 ARG HGy A 57 ASN HD2x 1.0 . 6.30 634 405 A 64 ARG HGy A 57 ASN HD2y 1.0 . 6.30 635 406 A 58 PRO HGx A 83 LEU HDy% 1.0 . 6.26 636 406 A 83 LEU HDx% A 58 PRO HGx 1.0 . 6.26 637 406 A 58 PRO HGy A 83 LEU HDx% 1.0 . 6.26 638 406 A 58 PRO HGy A 83 LEU HDy% 1.0 . 6.26 639 407 A 83 LEU HG A 58 PRO HDy 1.0 . 6.42 640 407 A 83 LEU HG A 58 PRO HDx 1.0 . 6.42 641 408 A 58 PRO HDx A 83 LEU HDy% 1.0 . 5.82 642 408 A 58 PRO HDy A 83 LEU HDy% 1.0 . 5.82 643 408 A 83 LEU HDx% A 58 PRO HDy 1.0 . 5.82 644 408 A 83 LEU HDx% A 58 PRO HDx 1.0 . 5.82 645 409 A 59 VAL HA A 60 SER HBy 1.0 . 5.66 646 409 A 59 VAL HA A 60 SER HBx 1.0 . 5.66 647 410 A 59 VAL HB A 60 SER HBy 1.0 . 5.34 648 410 A 60 SER HBx A 59 VAL HB 1.0 . 5.34 649 411 A 60 SER H A 59 VAL HGy% 1.0 . 4.97 650 411 A 60 SER H A 59 VAL HGx% 1.0 . 4.97 651 412 A 61 GLN H A 59 VAL HGy% 1.0 . 6.09 652 412 A 61 GLN H A 59 VAL HGx% 1.0 . 6.09 653 413 A 62 CYS H A 60 SER HBy 1.0 . 6.13 654 413 A 62 CYS H A 60 SER HBx 1.0 . 6.13 655 414 A 64 ARG H A 63 MET HGy 1.0 . 5.73 656 414 A 64 ARG H A 63 MET HGx 1.0 . 5.73 657 415 A 65 GLY HAy A 76 PRO HGy 1.0 . 6.28 658 415 A 65 GLY HAx A 76 PRO HGy 1.0 . 6.28 659 415 A 76 PRO HGx A 65 GLY HAx 1.0 . 6.28 660 415 A 65 GLY HAy A 76 PRO HGx 1.0 . 6.28 661 416 A 67 ARG H A 66 VAL HGy% 1.0 . 6.58 662 416 A 67 ARG H A 66 VAL HGx% 1.0 . 6.58 663 417 A 73 LEU HA A 66 VAL HGy% 1.0 . 6.73 664 417 A 73 LEU HA A 66 VAL HGx% 1.0 . 6.73 665 418 A 66 VAL HGy% A 73 LEU HDy% 1.0 . 5.01 666 418 A 66 VAL HGx% A 73 LEU HDy% 1.0 . 5.01 667 418 A 73 LEU HDx% A 66 VAL HGy% 1.0 . 5.01 668 418 A 73 LEU HDx% A 66 VAL HGx% 1.0 . 5.01 669 419 A 74 HIS H A 66 VAL HGy% 1.0 . 5.98 670 419 A 74 HIS H A 66 VAL HGx% 1.0 . 5.98 671 420 A 75 ALA HB% A 66 VAL HGy% 1.0 . 5.46 672 420 A 75 ALA HB% A 66 VAL HGx% 1.0 . 5.46 673 421 A 80 TRP HH2 A 66 VAL HGy% 1.0 . 5.70 674 421 A 80 TRP HH2 A 66 VAL HGx% 1.0 . 5.70 675 422 A 68 LEU HG A 73 LEU HDy% 1.0 . 6.30 676 422 A 68 LEU HG A 73 LEU HDx% 1.0 . 6.30 677 423 A 69 VAL H A 68 LEU HDy% 1.0 . 5.44 678 423 A 69 VAL H A 68 LEU HDx% 1.0 . 5.44 679 424 A 69 VAL HA A 68 LEU HDy% 1.0 . 5.52 680 424 A 69 VAL HA A 68 LEU HDx% 1.0 . 5.52 681 425 A 70 GLU HA A 68 LEU HDy% 1.0 . 5.44 682 425 A 70 GLU HA A 68 LEU HDx% 1.0 . 5.44 683 426 A 71 GLY H A 68 LEU HDy% 1.0 . 5.44 684 426 A 71 GLY H A 68 LEU HDx% 1.0 . 5.44 685 427 A 68 LEU HDx% A 71 GLY HAx 1.0 . 5.49 686 427 A 68 LEU HDy% A 71 GLY HAx 1.0 . 5.49 687 427 A 71 GLY HAy A 68 LEU HDy% 1.0 . 5.49 688 427 A 71 GLY HAy A 68 LEU HDx% 1.0 . 5.49 689 428 A 72 ILE H A 68 LEU HDy% 1.0 . 5.44 690 428 A 72 ILE H A 68 LEU HDx% 1.0 . 5.44 691 429 A 72 ILE HB A 68 LEU HDy% 1.0 . 5.76 692 429 A 72 ILE HB A 68 LEU HDx% 1.0 . 5.76 693 430 A 73 LEU H A 68 LEU HDy% 1.0 . 5.44 694 430 A 73 LEU H A 68 LEU HDx% 1.0 . 5.44 695 431 A 68 LEU HDx% A 73 LEU HBx 1.0 . 6.04 696 431 A 68 LEU HDy% A 73 LEU HBx 1.0 . 6.04 697 431 A 73 LEU HBy A 68 LEU HDy% 1.0 . 6.04 698 431 A 73 LEU HBy A 68 LEU HDx% 1.0 . 6.04 699 432 A 74 HIS H A 68 LEU HDy% 1.0 . 6.28 700 432 A 74 HIS H A 68 LEU HDx% 1.0 . 6.28 701 433 A 69 VAL HGx% A 70 GLU HBy 1.0 . 5.69 702 433 A 69 VAL HGy% A 70 GLU HBy 1.0 . 5.69 703 433 A 70 GLU HBx A 69 VAL HGy% 1.0 . 5.69 704 433 A 69 VAL HGx% A 70 GLU HBx 1.0 . 5.69 705 434 A 71 GLY H A 69 VAL HGy% 1.0 . 6.38 706 434 A 71 GLY H A 69 VAL HGx% 1.0 . 6.38 707 435 A 74 HIS H A 69 VAL HGy% 1.0 . 6.07 708 435 A 74 HIS H A 69 VAL HGx% 1.0 . 6.07 709 436 A 69 VAL HGy% A 74 HIS HBx 1.0 . 5.89 710 436 A 69 VAL HGx% A 74 HIS HBx 1.0 . 5.89 711 436 A 74 HIS HBy A 69 VAL HGy% 1.0 . 5.89 712 436 A 69 VAL HGx% A 74 HIS HBy 1.0 . 5.89 713 437 A 74 HIS HD2 A 69 VAL HGy% 1.0 . 5.44 714 437 A 69 VAL HGx% A 74 HIS HD2 1.0 . 5.44 715 438 A 70 GLU HBy A 72 ILE HG1x 1.0 . 5.18 716 438 A 70 GLU HBx A 72 ILE HG1x 1.0 . 5.18 717 438 A 72 ILE HG1y A 70 GLU HBy 1.0 . 5.18 718 438 A 70 GLU HBx A 72 ILE HG1y 1.0 . 5.18 719 439 A 72 ILE HA A 73 LEU HBx 1.0 . 5.34 720 439 A 72 ILE HA A 73 LEU HBy 1.0 . 5.34 721 440 A 73 LEU H A 72 ILE HG1x 1.0 . 5.34 722 440 A 73 LEU H A 72 ILE HG1y 1.0 . 5.34 723 441 A 73 LEU H A 73 LEU HDy% 1.0 . 5.75 724 441 A 73 LEU H A 73 LEU HDx% 1.0 . 5.75 725 442 A 74 HIS H A 73 LEU HDy% 1.0 . 5.40 726 442 A 74 HIS H A 73 LEU HDx% 1.0 . 5.40 727 443 A 80 TRP HZ3 A 73 LEU HDy% 1.0 . 6.88 728 443 A 80 TRP HZ3 A 73 LEU HDx% 1.0 . 6.88 729 444 A 80 TRP HZ2 A 73 LEU HDy% 1.0 . 5.44 730 444 A 80 TRP HZ2 A 73 LEU HDx% 1.0 . 5.44 731 445 A 75 ALA HB% A 76 PRO HGy 1.0 . 5.35 732 445 A 75 ALA HB% A 76 PRO HGx 1.0 . 5.35 733 446 A 78 ALA H A 76 PRO HBx 1.0 . 5.37 734 446 A 76 PRO HBy A 78 ALA H 1.0 . 5.37 735 447 A 77 ASP H A 76 PRO HGy 1.0 . 5.09 736 447 A 77 ASP H A 76 PRO HGx 1.0 . 5.09 737 448 A 78 ALA H A 76 PRO HGy 1.0 . 5.35 738 448 A 78 ALA H A 76 PRO HGx 1.0 . 5.35 739 449 A 78 ALA HB% A 76 PRO HGy 1.0 . 6.17 740 449 A 78 ALA HB% A 76 PRO HGx 1.0 . 6.17 741 450 A 78 ALA HB% A 76 PRO HDy 1.0 . 5.35 742 450 A 78 ALA HB% A 76 PRO HDx 1.0 . 5.35 743 451 A 79 GLY H A 76 PRO HDy 1.0 . 6.13 744 451 A 79 GLY H A 76 PRO HDx 1.0 . 6.13 745 452 A 81 GLY H A 79 GLY HAx 1.0 . 5.34 746 452 A 81 GLY H A 79 GLY HAy 1.0 . 5.34 747 453 A 80 TRP HA A 83 LEU HDy% 1.0 . 6.77 748 453 A 80 TRP HA A 83 LEU HDx% 1.0 . 6.77 749 454 A 80 TRP HBy A 83 LEU HDy% 1.0 . 6.35 750 454 A 83 LEU HDx% A 80 TRP HBy 1.0 . 6.35 751 454 A 83 LEU HDx% A 80 TRP HBx 1.0 . 6.35 752 454 A 80 TRP HBx A 83 LEU HDy% 1.0 . 6.35 753 455 A 80 TRP HE3 A 83 LEU HDy% 1.0 . 6.03 754 455 A 80 TRP HE3 A 83 LEU HDx% 1.0 . 6.03 755 456 A 83 LEU H A 83 LEU HDy% 1.0 . 5.07 756 456 A 83 LEU H A 83 LEU HDx% 1.0 . 5.07 757 457 A 83 LEU HBx A 84 VAL HGy% 1.0 . 6.61 758 457 A 83 LEU HBy A 84 VAL HGy% 1.0 . 6.61 759 457 A 84 VAL HGx% A 83 LEU HBx 1.0 . 6.61 760 457 A 84 VAL HGx% A 83 LEU HBy 1.0 . 6.61 761 458 A 85 TYR H A 83 LEU HBx 1.0 . 6.74 762 458 A 85 TYR H A 83 LEU HBy 1.0 . 6.74 763 459 A 84 VAL H A 85 TYR HBx 1.0 . 5.34 764 459 A 84 VAL H A 85 TYR HBy 1.0 . 5.34 765 460 A 84 VAL HGy% A 85 TYR HBx 1.0 . 6.09 766 460 A 84 VAL HGx% A 85 TYR HBx 1.0 . 6.09 767 460 A 85 TYR HBy A 84 VAL HGy% 1.0 . 6.09 768 460 A 84 VAL HGx% A 85 TYR HBy 1.0 . 6.09 769 461 A 87 VAL HA A 86 VAL HGy% 1.0 . 5.62 770 461 A 87 VAL HA A 86 VAL HGx% 1.0 . 5.62 771 462 A 88 ASN H A 86 VAL HGy% 1.0 . 6.30 772 462 A 88 ASN H A 86 VAL HGx% 1.0 . 6.30 773 463 A 95 ARG H A 95 ARG HGy 1.0 . 5.34 774 463 A 95 ARG H A 95 ARG HGx 1.0 . 5.34 775 464 A 109 LYS H A 108 VAL HGx% 1.0 . 5.44 776 464 A 109 LYS H A 108 VAL HG21 1.0 . 5.44 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _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 19 VAL H A 28 ILE O 1.0 . 2.4 2 2 A 28 ILE O A 19 VAL N 1.0 . 3.4 3 3 A 28 ILE H A 19 VAL O 1.0 . 3.4 4 4 A 19 VAL O A 28 ILE N 1.0 . 3.4 5 5 A 17 ILE H A 30 ILE O 1.0 . 2.4 6 6 A 30 ILE O A 17 ILE N 1.0 . 3.4 7 7 A 30 ILE H A 17 ILE O 1.0 . 2.4 8 8 A 17 ILE O A 30 ILE N 1.0 . 3.4 9 9 A 32 SER H A 15 GLU O 1.0 . 3.9 10 10 A 15 GLU O A 32 SER N 1.0 . 3.9 11 11 A 69 VAL H A 72 ILE O 1.0 . 4.4 12 12 A 72 ILE O A 69 VAL N 1.0 . 4.3 13 13 A 72 ILE H A 69 VAL O 1.0 . 2.4 14 14 A 69 VAL O A 72 ILE N 1.0 . 3.3 15 15 A 73 LEU H A 38 VAL O 1.0 . 2.4 16 16 A 38 VAL O A 73 LEU N 1.0 . 3.3 17 17 A 38 VAL H A 73 LEU O 1.0 . 2.4 18 18 A 73 LEU O A 38 VAL N 1.0 . 3.3 19 19 A 74 HIS H A 67 ARG O 1.0 . 3.4 20 20 A 67 ARG O A 74 HIS N 1.0 . 3.3 21 21 A 67 ARG H A 74 HIS O 1.0 . 3.4 22 22 A 74 HIS O A 67 ARG N 1.0 . 3.3 23 23 A 52 GLY H A 88 ASN O 1.0 . 3.4 24 24 A 88 ASN O A 52 GLY N 1.0 . 3.3 25 25 A 88 ASN H A 52 GLY O 1.0 . 3.4 26 26 A 52 GLY O A 88 ASN N 1.0 . 3.7 27 27 A 86 VAL H A 54 ARG O 1.0 . 3.4 28 28 A 54 ARG O A 86 VAL N 1.0 . 3.3 29 29 A 54 ARG H A 86 VAL O 1.0 . 3.4 30 30 A 86 VAL O A 54 ARG N 1.0 . 3.3 31 31 A 84 VAL H A 56 ARG O 1.0 . 2.4 32 32 A 56 ARG O A 84 VAL N 1.0 . 3.3 33 33 A 56 ARG H A 84 VAL O 1.0 . 2.4 34 34 A 84 VAL O A 56 ARG N 1.0 . 3.3 35 35 A 85 TYR H A 20 THR O 1.0 . 2.6 36 36 A 20 THR O A 85 TYR N 1.0 . 3.5 37 37 A 20 THR H A 83 LEU O 1.0 . 3.9 38 38 A 83 LEU O A 20 THR N 1.0 . 3.9 39 39 A 83 LEU H A 18 ARG O 1.0 . 3.9 40 40 A 18 ARG O A 83 LEU N 1.0 . 3.9 41 41 A 18 ARG H A 81 GLY O 1.0 . 4.1 42 42 A 81 GLY O A 18 ARG N 1.0 . 4.1 43 43 A 40 LEU H A 41 SER H 1.0 . 2.9 44 44 A 42 THR H A 41 SER H 1.0 . 2.9 45 45 A 21 GLU H A 22 ASP H 1.0 . 2.6 46 46 A 23 GLU H A 24 ASN H 1.0 . 2.6 47 47 A 24 ASN H A 25 ASP H 1.0 . 2.6 48 48 A 34 ASP H A 35 ASP H 1.0 . 2.6 49 49 A 35 ASP H A 36 GLY H 1.0 . 2.6 stop_ save_