data_nef_c19479_2md9 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 1DNY PDB 2GDW PDB 2GDX PDB 2GDY PDB 2GE1 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 2 PRO start . false 2 A 3 VAL middle . . 3 A 4 THR middle . . 4 A 5 GLU middle . . 5 A 6 ALA middle . . 6 A 7 GLN middle . . 7 A 8 TYR middle . . 8 A 9 VAL middle . . 9 A 10 ALA middle . . 10 A 11 PRO middle . false 11 A 12 THR middle . . 12 A 13 ASN middle . . 13 A 14 ALA middle . . 14 A 15 VAL middle . . 15 A 16 GLU middle . . 16 A 17 SER middle . . 17 A 18 LYS middle . . 18 A 19 LEU middle . . 19 A 20 ALA middle . . 20 A 21 GLU middle . . 21 A 22 ILE middle . . 22 A 23 TRP middle . . 23 A 24 GLU middle . . 24 A 25 ARG middle . . 25 A 26 VAL middle . . 26 A 27 LEU middle . . 27 A 28 GLY middle . false 28 A 29 VAL middle . . 29 A 30 SER middle . . 30 A 31 GLY middle . false 31 A 32 ILE middle . . 32 A 33 GLY middle . false 33 A 34 ILE middle . . 34 A 35 LEU middle . . 35 A 36 ASP middle . . 36 A 37 ASN middle . . 37 A 38 PHE middle . . 38 A 39 PHE middle . . 39 A 40 GLN middle . . 40 A 41 ILE middle . . 41 A 42 GLY middle . false 42 A 43 GLY middle . false 43 A 44 HIS middle . . 44 A 45 ALA middle . . 45 A 46 LEU middle . . 46 A 47 LYS middle . . 47 A 48 ALA middle . . 48 A 49 MET middle . . 49 A 50 ALA middle . . 50 A 51 VAL middle . . 51 A 52 ALA middle . . 52 A 53 ALA middle . . 53 A 54 GLN middle . . 54 A 55 VAL middle . . 55 A 56 HIS middle . . 56 A 57 ARG middle . . 57 A 58 GLU middle . . 58 A 59 TYR middle . . 59 A 60 GLN middle . . 60 A 61 VAL middle . . 61 A 62 GLU middle . . 62 A 63 LEU middle . . 63 A 64 PRO middle . false 64 A 65 LEU middle . . 65 A 66 LYS middle . . 66 A 67 VAL middle . . 67 A 68 LEU middle . . 68 A 69 PHE middle . . 69 A 70 ALA middle . . 70 A 71 GLN middle . . 71 A 72 PRO middle . false 72 A 73 THR middle . . 73 A 74 ILE middle . . 74 A 75 LYS middle . . 75 A 76 ALA middle . . 76 A 77 LEU middle . . 77 A 78 ALA middle . . 78 A 79 GLN middle . . 79 A 80 TYR middle . . 80 A 81 VAL middle . . 81 A 82 ALA middle . . 82 A 83 THR middle . . 83 A 84 ARG middle . . 84 A 85 SER middle . . 85 A 86 HIS middle . . 86 A 87 HIS middle . . 87 A 88 HIS middle . . 88 A 89 HIS middle . . 89 A 90 HIS middle . . 90 A 91 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 PRO HA H 1 4.480 0.000 A 2 PRO HBx H 1 2.500 0.000 A 2 PRO HBy H 1 2.500 0.000 A 2 PRO HDy H 1 3.427 0.000 A 2 PRO HDx H 1 3.370 0.000 A 2 PRO HGx H 1 2.039 0.000 A 2 PRO HGy H 1 2.039 0.000 A 2 PRO CA C 13 62.373 0.000 A 2 PRO CB C 13 32.689 0.000 A 2 PRO CD C 13 49.436 0.000 A 2 PRO CG C 13 26.573 0.000 A 3 VAL HA H 1 4.160 0.004 A 3 VAL HB H 1 2.115 0.001 A 3 VAL HGx% H 1 0.956 0.001 A 3 VAL HGy% H 1 0.966 0.001 A 3 VAL CA C 13 63.130 0.022 A 3 VAL CB C 13 32.605 0.021 A 3 VAL CGy C 13 21.308 0.001 A 3 VAL CGx C 13 20.646 0.000 A 4 THR H H 1 8.269 0.001 A 4 THR HA H 1 4.454 0.002 A 4 THR HB H 1 4.281 0.000 A 4 THR HG2% H 1 1.218 0.004 A 4 THR CA C 13 61.454 0.018 A 4 THR CB C 13 70.203 0.014 A 4 THR CG2 C 13 21.816 0.005 A 4 THR N N 15 117.074 0.005 A 5 GLU H H 1 8.465 0.001 A 5 GLU HA H 1 4.305 0.003 A 5 GLU HBy H 1 2.116 0.006 A 5 GLU HBx H 1 1.968 0.002 A 5 GLU HGx H 1 2.282 0.003 A 5 GLU HGy H 1 2.282 0.003 A 5 GLU CA C 13 56.689 0.009 A 5 GLU CB C 13 30.297 0.025 A 5 GLU CG C 13 36.337 0.005 A 5 GLU N N 15 122.628 0.006 A 6 ALA H H 1 8.333 0.002 A 6 ALA HA H 1 4.301 0.000 A 6 ALA HB% H 1 1.358 0.002 A 6 ALA CA C 13 52.392 0.002 A 6 ALA CB C 13 19.520 0.004 A 6 ALA N N 15 124.915 0.011 A 7 GLN H H 1 8.340 0.001 A 7 GLN HA H 1 4.275 0.002 A 7 GLN HBy H 1 2.047 0.009 A 7 GLN HBx H 1 1.973 0.005 A 7 GLN HGx H 1 2.339 0.001 A 7 GLN HGy H 1 2.339 0.001 A 7 GLN CA C 13 55.512 0.025 A 7 GLN CB C 13 29.495 0.011 A 7 GLN CG C 13 33.676 0.002 A 7 GLN N N 15 120.476 0.009 A 8 TYR H H 1 8.506 0.002 A 8 TYR HA H 1 4.386 0.002 A 8 TYR HBy H 1 3.177 0.000 A 8 TYR HBx H 1 2.768 0.000 A 8 TYR HDx H 1 7.072 0.000 A 8 TYR HDy H 1 7.072 0.000 A 8 TYR HEx H 1 6.593 0.002 A 8 TYR HEy H 1 6.593 0.002 A 8 TYR CA C 13 60.233 0.034 A 8 TYR CB C 13 38.173 0.006 A 8 TYR CDx C 13 133.242 0.000 A 8 TYR CEx C 13 117.915 0.000 A 8 TYR N N 15 124.499 0.009 A 9 VAL H H 1 6.756 0.002 A 9 VAL HA H 1 3.748 0.003 A 9 VAL HB H 1 1.527 0.002 A 9 VAL HGx% H 1 0.783 0.002 A 9 VAL HGy% H 1 0.783 0.002 A 9 VAL CA C 13 61.317 0.016 A 9 VAL CB C 13 34.738 0.016 A 9 VAL CGx C 13 21.383 0.000 A 9 VAL N N 15 130.011 0.007 A 10 ALA H H 1 8.125 0.003 A 10 ALA HA H 1 4.172 0.002 A 10 ALA HB% H 1 1.366 0.001 A 10 ALA CA C 13 50.602 0.002 A 10 ALA CB C 13 17.676 0.001 A 10 ALA N N 15 130.264 0.009 A 11 PRO HA H 1 4.186 0.001 A 11 PRO HBx H 1 1.904 0.005 A 11 PRO HBy H 1 1.904 0.005 A 11 PRO HDy H 1 3.752 0.004 A 11 PRO HDx H 1 3.651 0.002 A 11 PRO HGy H 1 2.194 0.001 A 11 PRO HGx H 1 1.587 0.004 A 11 PRO CA C 13 63.808 0.018 A 11 PRO CB C 13 32.674 0.002 A 11 PRO CD C 13 50.164 0.006 A 11 PRO CG C 13 28.042 0.003 A 12 THR H H 1 9.701 0.002 A 12 THR HA H 1 4.469 0.003 A 12 THR HB H 1 4.306 0.000 A 12 THR HG2% H 1 1.223 0.004 A 12 THR CA C 13 61.950 0.034 A 12 THR CB C 13 71.622 0.064 A 12 THR CG2 C 13 21.814 0.000 A 12 THR N N 15 113.591 0.009 A 13 ASN H H 1 7.423 0.002 A 13 ASN HA H 1 4.771 0.008 A 13 ASN HBy H 1 3.104 0.002 A 13 ASN HBx H 1 2.952 0.001 A 13 ASN CA C 13 51.947 0.031 A 13 ASN CB C 13 39.736 0.002 A 13 ASN N N 15 116.088 0.018 A 14 ALA HA H 1 4.136 0.000 A 14 ALA HB% H 1 1.515 0.002 A 14 ALA CA C 13 55.484 0.013 A 14 ALA CB C 13 19.020 0.003 A 15 VAL H H 1 7.938 0.001 A 15 VAL HA H 1 4.191 0.003 A 15 VAL HB H 1 2.010 0.003 A 15 VAL HGx% H 1 0.861 0.002 A 15 VAL HGy% H 1 0.742 0.002 A 15 VAL CA C 13 65.158 0.016 A 15 VAL CB C 13 31.513 0.005 A 15 VAL CGy C 13 21.916 0.001 A 15 VAL CGx C 13 21.376 0.004 A 15 VAL N N 15 120.332 0.008 A 16 GLU H H 1 8.470 0.001 A 16 GLU HA H 1 3.550 0.002 A 16 GLU HBy H 1 2.023 0.007 A 16 GLU HBx H 1 1.607 0.004 A 16 GLU HGy H 1 2.364 0.002 A 16 GLU HGx H 1 1.809 0.002 A 16 GLU CA C 13 59.495 0.009 A 16 GLU CB C 13 30.851 0.041 A 16 GLU CG C 13 37.095 0.003 A 16 GLU N N 15 118.751 0.009 A 17 SER H H 1 8.386 0.002 A 17 SER HA H 1 3.968 0.000 A 17 SER HBx H 1 3.904 0.005 A 17 SER HBy H 1 3.904 0.005 A 17 SER CA C 13 62.523 0.038 A 17 SER CB C 13 62.669 0.000 A 17 SER N N 15 112.637 0.013 A 18 LYS H H 1 8.104 0.001 A 18 LYS HA H 1 4.287 0.002 A 18 LYS HBy H 1 2.436 0.005 A 18 LYS HBx H 1 2.015 0.000 A 18 LYS HDy H 1 1.844 0.005 A 18 LYS HDx H 1 1.641 0.008 A 18 LYS HEy H 1 2.926 0.004 A 18 LYS HEx H 1 2.743 0.005 A 18 LYS HGy H 1 1.636 0.000 A 18 LYS HGx H 1 1.457 0.003 A 18 LYS CA C 13 57.421 0.024 A 18 LYS CB C 13 30.018 0.010 A 18 LYS CD C 13 26.637 0.007 A 18 LYS CE C 13 41.338 0.005 A 18 LYS CG C 13 24.059 0.013 A 18 LYS N N 15 124.394 0.014 A 19 LEU H H 1 8.742 0.002 A 19 LEU HA H 1 4.027 0.001 A 19 LEU HBy H 1 1.887 0.006 A 19 LEU HBx H 1 0.867 0.004 A 19 LEU HDx% H 1 0.738 0.001 A 19 LEU HDy% H 1 0.841 0.003 A 19 LEU HG H 1 1.942 0.004 A 19 LEU CA C 13 58.178 0.045 A 19 LEU CB C 13 42.135 0.011 A 19 LEU CDy C 13 26.349 0.008 A 19 LEU CDx C 13 24.151 0.010 A 19 LEU CG C 13 27.646 0.022 A 19 LEU N N 15 118.589 0.013 A 20 ALA H H 1 8.199 0.002 A 20 ALA HA H 1 3.775 0.001 A 20 ALA HB% H 1 1.406 0.002 A 20 ALA CA C 13 56.194 0.023 A 20 ALA CB C 13 16.862 0.005 A 20 ALA N N 15 121.037 0.007 A 21 GLU H H 1 7.716 0.002 A 21 GLU HA H 1 4.129 0.002 A 21 GLU HBy H 1 2.404 0.002 A 21 GLU HBx H 1 2.358 0.004 A 21 GLU HGy H 1 2.550 0.003 A 21 GLU HGx H 1 2.191 0.000 A 21 GLU CA C 13 59.788 0.017 A 21 GLU CB C 13 29.887 0.008 A 21 GLU CG C 13 36.356 0.002 A 21 GLU N N 15 118.948 0.008 A 22 ILE H H 1 8.409 0.001 A 22 ILE HA H 1 3.780 0.001 A 22 ILE HB H 1 2.240 0.000 A 22 ILE HD1% H 1 0.883 0.001 A 22 ILE HG1y H 1 2.091 0.001 A 22 ILE HG1x H 1 1.212 0.005 A 22 ILE HG2% H 1 1.136 0.002 A 22 ILE CA C 13 65.850 0.012 A 22 ILE CB C 13 38.677 0.011 A 22 ILE CD1 C 13 13.927 0.000 A 22 ILE CG1 C 13 29.039 0.009 A 22 ILE CG2 C 13 18.024 0.008 A 22 ILE N N 15 120.355 0.009 A 23 TRP H H 1 9.551 0.002 A 23 TRP HA H 1 4.191 0.002 A 23 TRP HBy H 1 3.341 0.000 A 23 TRP HBx H 1 3.307 0.000 A 23 TRP HD1 H 1 6.911 0.000 A 23 TRP HE1 H 1 7.235 0.000 A 23 TRP HE3 H 1 7.584 0.000 A 23 TRP HH2 H 1 7.482 0.000 A 23 TRP HZ2 H 1 6.834 0.000 A 23 TRP HZ3 H 1 7.232 0.000 A 23 TRP CA C 13 61.819 0.014 A 23 TRP CB C 13 29.177 0.010 A 23 TRP CD1 C 13 122.959 0.000 A 23 TRP CE3 C 13 121.085 0.000 A 23 TRP CH2 C 13 126.653 0.000 A 23 TRP CZ2 C 13 112.693 0.000 A 23 TRP CZ3 C 13 123.438 0.000 A 23 TRP N N 15 120.272 0.011 A 23 TRP NE1 N 15 117.712 0.000 A 24 GLU H H 1 9.039 0.003 A 24 GLU HA H 1 4.210 0.001 A 24 GLU HBy H 1 2.269 0.004 A 24 GLU HBx H 1 2.176 0.001 A 24 GLU HGy H 1 2.872 0.003 A 24 GLU HGx H 1 2.447 0.002 A 24 GLU CA C 13 60.695 0.016 A 24 GLU CB C 13 29.397 0.036 A 24 GLU CG C 13 37.860 0.004 A 24 GLU N N 15 119.281 0.023 A 25 ARG H H 1 8.060 0.001 A 25 ARG HA H 1 4.205 0.001 A 25 ARG HBy H 1 2.109 0.003 A 25 ARG HBx H 1 2.048 0.003 A 25 ARG HDx H 1 3.276 0.002 A 25 ARG HDy H 1 3.276 0.002 A 25 ARG HGx H 1 1.819 0.003 A 25 ARG HGy H 1 1.819 0.003 A 25 ARG CA C 13 59.015 0.021 A 25 ARG CB C 13 30.246 0.031 A 25 ARG CD C 13 43.746 0.001 A 25 ARG CG C 13 27.352 0.005 A 25 ARG N N 15 119.408 0.021 A 26 VAL H H 1 8.475 0.001 A 26 VAL HA H 1 3.782 0.002 A 26 VAL HB H 1 1.998 0.003 A 26 VAL HGx% H 1 1.057 0.000 A 26 VAL HGy% H 1 1.015 0.001 A 26 VAL CA C 13 65.845 0.008 A 26 VAL CB C 13 32.717 0.008 A 26 VAL CGy C 13 22.889 0.067 A 26 VAL CGx C 13 22.223 0.008 A 26 VAL N N 15 119.220 0.008 A 27 LEU H H 1 9.005 0.001 A 27 LEU HA H 1 4.018 0.002 A 27 LEU HBy H 1 1.912 0.002 A 27 LEU HBx H 1 1.300 0.003 A 27 LEU HDx% H 1 0.495 0.002 A 27 LEU HDy% H 1 0.071 0.000 A 27 LEU HG H 1 1.484 0.005 A 27 LEU CA C 13 55.757 0.012 A 27 LEU CB C 13 42.504 0.010 A 27 LEU CDy C 13 25.386 0.003 A 27 LEU CDx C 13 21.906 0.009 A 27 LEU CG C 13 27.090 0.037 A 27 LEU N N 15 116.095 0.009 A 28 GLY H H 1 8.056 0.002 A 28 GLY HAx H 1 3.928 0.002 A 28 GLY HAy H 1 3.928 0.002 A 28 GLY CA C 13 46.721 0.018 A 28 GLY N N 15 108.722 0.008 A 29 VAL H H 1 7.044 0.001 A 29 VAL HA H 1 4.457 0.002 A 29 VAL HB H 1 1.966 0.002 A 29 VAL HGx% H 1 0.897 0.000 A 29 VAL HGy% H 1 0.846 0.005 A 29 VAL CA C 13 59.845 0.023 A 29 VAL CB C 13 35.477 0.006 A 29 VAL CGy C 13 21.276 0.003 A 29 VAL CGx C 13 20.020 0.002 A 29 VAL N N 15 115.103 0.006 A 30 SER H H 1 8.151 0.001 A 30 SER HA H 1 4.683 0.002 A 30 SER HBx H 1 3.751 0.002 A 30 SER HBy H 1 3.751 0.002 A 30 SER CA C 13 56.970 0.031 A 30 SER CB C 13 65.294 0.004 A 30 SER N N 15 115.417 0.008 A 31 GLY H H 1 8.573 0.001 A 31 GLY HAy H 1 3.882 0.002 A 31 GLY HAx H 1 3.753 0.003 A 31 GLY CA C 13 46.545 0.016 A 31 GLY N N 15 112.008 0.007 A 32 ILE H H 1 8.241 0.001 A 32 ILE HA H 1 3.898 0.002 A 32 ILE HB H 1 1.814 0.001 A 32 ILE HD1% H 1 1.096 0.002 A 32 ILE HG1y H 1 1.688 0.009 A 32 ILE HG1x H 1 1.095 0.007 A 32 ILE HG2% H 1 1.198 0.002 A 32 ILE CA C 13 63.126 0.034 A 32 ILE CB C 13 38.993 0.007 A 32 ILE CD1 C 13 15.653 0.001 A 32 ILE CG1 C 13 28.463 0.005 A 32 ILE CG2 C 13 18.557 0.001 A 32 ILE N N 15 121.204 0.008 A 33 GLY H H 1 8.760 0.001 A 33 GLY HAy H 1 4.454 0.006 A 33 GLY HAx H 1 3.654 0.003 A 33 GLY CA C 13 44.330 0.010 A 33 GLY N N 15 115.038 0.008 A 34 ILE H H 1 8.566 0.002 A 34 ILE HA H 1 4.017 0.000 A 34 ILE HB H 1 1.759 0.001 A 34 ILE HD1% H 1 0.746 0.000 A 34 ILE HG2% H 1 0.667 0.003 A 34 ILE CA C 13 64.500 0.025 A 34 ILE CB C 13 37.731 0.011 A 34 ILE CD1 C 13 14.535 0.013 A 34 ILE CG1 C 13 25.461 0.000 A 34 ILE CG2 C 13 17.849 0.001 A 34 ILE N N 15 110.067 0.011 A 35 LEU H H 1 8.191 0.002 A 35 LEU HA H 1 4.692 0.002 A 35 LEU HBx H 1 1.744 0.002 A 35 LEU HBy H 1 1.744 0.002 A 35 LEU HDx% H 1 0.939 0.002 A 35 LEU HDy% H 1 0.853 0.003 A 35 LEU HG H 1 1.379 0.006 A 35 LEU CA C 13 53.247 0.025 A 35 LEU CB C 13 42.094 0.005 A 35 LEU CDy C 13 25.952 0.012 A 35 LEU CDx C 13 22.736 0.006 A 35 LEU CG C 13 27.210 0.053 A 35 LEU N N 15 117.052 0.009 A 36 ASP H H 1 7.098 0.002 A 36 ASP HA H 1 4.387 0.002 A 36 ASP HBy H 1 2.790 0.007 A 36 ASP HBx H 1 2.594 0.001 A 36 ASP CA C 13 55.244 0.016 A 36 ASP CB C 13 41.170 0.017 A 36 ASP N N 15 121.535 0.010 A 37 ASN H H 1 9.116 0.001 A 37 ASN HA H 1 4.954 0.001 A 37 ASN HBx H 1 2.837 0.001 A 37 ASN HBy H 1 2.837 0.001 A 37 ASN CA C 13 53.319 0.017 A 37 ASN CB C 13 39.610 0.019 A 37 ASN N N 15 123.266 0.010 A 38 PHE H H 1 9.344 0.002 A 38 PHE HA H 1 3.393 0.000 A 38 PHE HBy H 1 2.751 0.000 A 38 PHE HBx H 1 1.776 0.000 A 38 PHE HDx H 1 4.669 0.000 A 38 PHE HDy H 1 4.669 0.000 A 38 PHE HEx H 1 6.177 0.000 A 38 PHE HEy H 1 6.177 0.000 A 38 PHE HZ H 1 6.289 0.000 A 38 PHE CA C 13 61.965 0.024 A 38 PHE CB C 13 40.851 0.005 A 38 PHE CDx C 13 131.421 0.000 A 38 PHE CEx C 13 129.419 0.000 A 38 PHE CZ C 13 127.466 0.000 A 38 PHE N N 15 126.469 0.007 A 39 PHE H H 1 8.052 0.001 A 39 PHE HA H 1 3.933 0.001 A 39 PHE HBy H 1 3.313 0.000 A 39 PHE HBx H 1 3.001 0.000 A 39 PHE HDx H 1 7.355 0.000 A 39 PHE HDy H 1 7.355 0.000 A 39 PHE HEx H 1 6.962 0.000 A 39 PHE HEy H 1 6.962 0.000 A 39 PHE HZ H 1 6.104 0.000 A 39 PHE CA C 13 59.682 0.022 A 39 PHE CB C 13 38.040 0.022 A 39 PHE CDy C 13 132.163 0.000 A 39 PHE CEy C 13 130.591 0.000 A 39 PHE CZ C 13 129.173 0.000 A 39 PHE N N 15 112.189 0.014 A 40 GLN H H 1 8.297 0.002 A 40 GLN HA H 1 4.392 0.000 A 40 GLN HBy H 1 2.446 0.001 A 40 GLN HBx H 1 2.417 0.000 A 40 GLN HGx H 1 2.461 0.005 A 40 GLN HGy H 1 2.461 0.005 A 40 GLN CA C 13 57.191 0.034 A 40 GLN CB C 13 29.466 0.019 A 40 GLN CG C 13 34.054 0.006 A 40 GLN N N 15 119.928 0.011 A 41 ILE H H 1 7.133 0.002 A 41 ILE HA H 1 4.493 0.004 A 41 ILE HB H 1 2.164 0.000 A 41 ILE HD1% H 1 0.958 0.005 A 41 ILE HG1y H 1 1.288 0.001 A 41 ILE HG1x H 1 1.129 0.001 A 41 ILE HG2% H 1 0.963 0.001 A 41 ILE CA C 13 61.348 0.038 A 41 ILE CB C 13 37.882 0.037 A 41 ILE CD1 C 13 15.476 0.000 A 41 ILE CG1 C 13 25.445 0.018 A 41 ILE CG2 C 13 17.852 0.009 A 41 ILE N N 15 110.997 0.014 A 42 GLY H H 1 7.433 0.004 A 42 GLY HAy H 1 4.342 0.004 A 42 GLY HAx H 1 3.508 0.004 A 42 GLY CA C 13 44.679 0.016 A 42 GLY N N 15 106.355 0.009 A 43 GLY H H 1 7.826 0.002 A 43 GLY HAy H 1 2.663 0.007 A 43 GLY HAx H 1 1.882 0.000 A 43 GLY CA C 13 45.389 0.022 A 43 GLY N N 15 107.808 0.006 A 44 HIS H H 1 6.369 0.007 A 44 HIS HA H 1 4.979 0.002 A 44 HIS HBy H 1 3.552 0.000 A 44 HIS HBx H 1 3.435 0.000 A 44 HIS HD2 H 1 7.112 0.000 A 44 HIS HE1 H 1 7.875 0.000 A 44 HIS CA C 13 54.773 0.008 A 44 HIS CB C 13 31.867 0.000 A 44 HIS CD2 C 13 120.574 0.000 A 44 HIS CE1 C 13 139.531 0.000 A 44 HIS N N 15 112.337 0.025 A 45 ALA HA H 1 4.264 0.000 A 45 ALA HB% H 1 1.756 0.001 A 45 ALA CA C 13 57.581 0.128 A 45 ALA CB C 13 18.718 0.002 A 46 LEU H H 1 8.807 0.003 A 46 LEU HA H 1 4.420 0.002 A 46 LEU HBy H 1 1.958 0.005 A 46 LEU HBx H 1 1.754 0.003 A 46 LEU HDx% H 1 1.000 0.002 A 46 LEU HDy% H 1 0.989 0.001 A 46 LEU HG H 1 1.851 0.002 A 46 LEU CA C 13 58.559 0.033 A 46 LEU CB C 13 41.652 0.003 A 46 LEU CDy C 13 24.820 0.009 A 46 LEU CDx C 13 23.698 0.003 A 46 LEU CG C 13 27.792 0.006 A 46 LEU N N 15 117.791 0.009 A 47 LYS H H 1 7.589 0.002 A 47 LYS HA H 1 4.200 0.000 A 47 LYS HBy H 1 1.634 0.005 A 47 LYS HBx H 1 1.335 0.000 A 47 LYS HDy H 1 1.361 0.002 A 47 LYS HDx H 1 1.050 0.001 A 47 LYS HEx H 1 2.929 0.003 A 47 LYS HEy H 1 2.929 0.003 A 47 LYS HGy H 1 1.210 0.002 A 47 LYS HGx H 1 1.053 0.002 A 47 LYS CA C 13 58.352 0.015 A 47 LYS CB C 13 32.994 0.027 A 47 LYS CD C 13 29.125 0.010 A 47 LYS CE C 13 42.092 0.006 A 47 LYS CG C 13 25.911 0.006 A 47 LYS N N 15 118.822 0.008 A 48 ALA H H 1 8.736 0.002 A 48 ALA HA H 1 3.575 0.009 A 48 ALA HB% H 1 1.439 0.002 A 48 ALA CA C 13 55.102 0.016 A 48 ALA CB C 13 18.239 0.003 A 48 ALA N N 15 122.769 0.010 A 49 MET H H 1 8.000 0.003 A 49 MET HA H 1 4.169 0.000 A 49 MET HBy H 1 2.313 0.008 A 49 MET HBx H 1 2.274 0.000 A 49 MET HE% H 1 2.155 0.000 A 49 MET HGy H 1 2.925 0.000 A 49 MET HGx H 1 2.774 0.002 A 49 MET CA C 13 58.869 0.010 A 49 MET CB C 13 32.511 0.022 A 49 MET CE C 13 17.100 0.000 A 49 MET CG C 13 32.527 0.001 A 49 MET N N 15 116.936 0.009 A 50 ALA H H 1 7.389 0.001 A 50 ALA HA H 1 4.401 0.002 A 50 ALA HB% H 1 1.659 0.002 A 50 ALA CA C 13 55.265 0.017 A 50 ALA CB C 13 18.320 0.015 A 50 ALA N N 15 123.686 0.008 A 51 VAL H H 1 7.981 0.001 A 51 VAL HA H 1 3.437 0.002 A 51 VAL HB H 1 2.130 0.000 A 51 VAL HGx% H 1 0.818 0.007 A 51 VAL HGy% H 1 0.757 0.005 A 51 VAL CA C 13 66.975 0.013 A 51 VAL CB C 13 31.268 0.012 A 51 VAL CGy C 13 23.219 0.005 A 51 VAL CGx C 13 20.940 0.001 A 51 VAL N N 15 118.885 0.008 A 52 ALA H H 1 8.499 0.002 A 52 ALA HA H 1 3.990 0.006 A 52 ALA HB% H 1 1.658 0.004 A 52 ALA CA C 13 56.056 0.097 A 52 ALA CB C 13 18.099 0.004 A 52 ALA N N 15 121.555 0.008 A 53 ALA H H 1 8.238 0.002 A 53 ALA HA H 1 4.346 0.001 A 53 ALA HB% H 1 1.635 0.002 A 53 ALA CA C 13 55.454 0.037 A 53 ALA CB C 13 18.079 0.010 A 53 ALA N N 15 121.958 0.022 A 54 GLN H H 1 7.914 0.001 A 54 GLN HA H 1 4.157 0.001 A 54 GLN HBy H 1 2.281 0.003 A 54 GLN HBx H 1 2.191 0.004 A 54 GLN HGy H 1 2.652 0.002 A 54 GLN HGx H 1 2.529 0.002 A 54 GLN CA C 13 59.303 0.023 A 54 GLN CB C 13 28.684 0.013 A 54 GLN CG C 13 34.193 0.009 A 54 GLN N N 15 118.520 0.016 A 55 VAL H H 1 8.915 0.001 A 55 VAL HA H 1 3.673 0.002 A 55 VAL HB H 1 2.362 0.001 A 55 VAL HGx% H 1 1.115 0.001 A 55 VAL HGy% H 1 1.125 0.000 A 55 VAL CA C 13 67.521 0.005 A 55 VAL CB C 13 31.569 0.037 A 55 VAL CGy C 13 24.730 0.005 A 55 VAL CGx C 13 22.013 0.006 A 55 VAL N N 15 121.643 0.013 A 56 HIS H H 1 8.328 0.001 A 56 HIS HA H 1 4.314 0.001 A 56 HIS HBy H 1 3.463 0.000 A 56 HIS HBx H 1 3.237 0.000 A 56 HIS HD2 H 1 6.588 0.000 A 56 HIS HE1 H 1 7.754 0.000 A 56 HIS CA C 13 60.994 0.019 A 56 HIS CB C 13 30.226 0.025 A 56 HIS CD2 C 13 118.440 0.000 A 56 HIS CE1 C 13 138.377 0.000 A 56 HIS N N 15 120.993 0.007 A 57 ARG H H 1 7.849 0.001 A 57 ARG HA H 1 3.963 0.002 A 57 ARG HBx H 1 1.985 0.003 A 57 ARG HBy H 1 1.985 0.003 A 57 ARG HDx H 1 3.239 0.002 A 57 ARG HDy H 1 3.239 0.002 A 57 ARG HGy H 1 1.793 0.002 A 57 ARG HGx H 1 1.675 0.003 A 57 ARG CA C 13 59.269 0.018 A 57 ARG CB C 13 30.220 0.014 A 57 ARG CD C 13 43.404 0.005 A 57 ARG CG C 13 27.215 0.006 A 57 ARG N N 15 119.241 0.008 A 58 GLU H H 1 7.874 0.002 A 58 GLU HA H 1 3.944 0.003 A 58 GLU HBy H 1 1.817 0.005 A 58 GLU HBx H 1 1.437 0.000 A 58 GLU HGy H 1 1.967 0.002 A 58 GLU HGx H 1 1.369 0.002 A 58 GLU CA C 13 58.351 0.022 A 58 GLU CB C 13 30.571 0.039 A 58 GLU CG C 13 34.923 0.003 A 58 GLU N N 15 116.079 0.007 A 59 TYR H H 1 8.303 0.001 A 59 TYR HA H 1 4.686 0.001 A 59 TYR HBy H 1 3.210 0.000 A 59 TYR HBx H 1 2.578 0.000 A 59 TYR HDx H 1 7.114 0.000 A 59 TYR HDy H 1 7.114 0.000 A 59 TYR HEx H 1 6.582 0.000 A 59 TYR HEy H 1 6.582 0.000 A 59 TYR CA C 13 58.616 0.048 A 59 TYR CB C 13 40.589 0.013 A 59 TYR CDx C 13 132.842 0.000 A 59 TYR CEx C 13 117.705 0.000 A 59 TYR N N 15 112.274 0.008 A 60 GLN H H 1 8.382 0.001 A 60 GLN HA H 1 3.481 0.002 A 60 GLN HBy H 1 2.269 0.002 A 60 GLN HBx H 1 2.216 0.001 A 60 GLN HGy H 1 2.207 0.000 A 60 GLN HGx H 1 2.130 0.004 A 60 GLN CA C 13 57.418 0.028 A 60 GLN CB C 13 25.628 0.016 A 60 GLN CG C 13 34.631 0.003 A 60 GLN N N 15 115.629 0.008 A 61 VAL H H 1 6.532 0.002 A 61 VAL HA H 1 4.347 0.002 A 61 VAL HB H 1 1.696 0.003 A 61 VAL HGx% H 1 0.875 0.007 A 61 VAL HGy% H 1 0.875 0.007 A 61 VAL CA C 13 60.118 0.022 A 61 VAL CB C 13 35.547 0.002 A 61 VAL CGx C 13 21.154 0.077 A 61 VAL N N 15 114.547 0.005 A 62 GLU H H 1 8.741 0.001 A 62 GLU HA H 1 4.270 0.001 A 62 GLU HBx H 1 1.912 0.000 A 62 GLU HBy H 1 1.912 0.000 A 62 GLU HGy H 1 2.178 0.000 A 62 GLU HGx H 1 1.954 0.002 A 62 GLU CA C 13 55.857 0.031 A 62 GLU CB C 13 30.334 0.035 A 62 GLU CG C 13 36.303 0.002 A 62 GLU N N 15 125.938 0.009 A 63 LEU H H 1 8.939 0.003 A 63 LEU HA H 1 4.845 0.002 A 63 LEU HBy H 1 1.827 0.003 A 63 LEU HBx H 1 1.224 0.002 A 63 LEU HDx% H 1 0.753 0.000 A 63 LEU HDy% H 1 0.644 0.002 A 63 LEU HG H 1 1.468 0.001 A 63 LEU CA C 13 50.751 0.003 A 63 LEU CB C 13 43.313 0.000 A 63 LEU CDy C 13 26.085 0.000 A 63 LEU CDx C 13 24.870 0.000 A 63 LEU CG C 13 26.887 0.000 A 63 LEU N N 15 127.837 0.009 A 64 PRO HA H 1 4.446 0.000 A 64 PRO HBy H 1 2.480 0.001 A 64 PRO HBx H 1 1.740 0.002 A 64 PRO HDy H 1 4.054 0.003 A 64 PRO HDx H 1 3.295 0.001 A 64 PRO HGx H 1 2.029 0.003 A 64 PRO HGy H 1 2.029 0.003 A 64 PRO CA C 13 62.060 0.057 A 64 PRO CB C 13 32.346 0.004 A 64 PRO CD C 13 51.152 0.006 A 64 PRO CG C 13 27.821 0.006 A 65 LEU H H 1 8.746 0.002 A 65 LEU HA H 1 3.772 0.003 A 65 LEU HBy H 1 1.644 0.001 A 65 LEU HBx H 1 1.410 0.001 A 65 LEU HDx% H 1 0.940 0.000 A 65 LEU HDy% H 1 0.847 0.001 A 65 LEU HG H 1 1.702 0.002 A 65 LEU CA C 13 58.426 0.015 A 65 LEU CB C 13 40.688 0.014 A 65 LEU CDy C 13 24.716 0.002 A 65 LEU CDx C 13 24.005 0.006 A 65 LEU CG C 13 27.401 0.007 A 65 LEU N N 15 126.325 0.009 A 66 LYS H H 1 8.551 0.001 A 66 LYS HA H 1 3.999 0.002 A 66 LYS HBy H 1 1.831 0.000 A 66 LYS HBx H 1 1.727 0.001 A 66 LYS HDx H 1 1.655 0.002 A 66 LYS HDy H 1 1.655 0.002 A 66 LYS HEx H 1 2.936 0.001 A 66 LYS HEy H 1 2.936 0.001 A 66 LYS HGx H 1 1.384 0.000 A 66 LYS HGy H 1 1.384 0.000 A 66 LYS CA C 13 59.383 0.015 A 66 LYS CB C 13 32.166 0.012 A 66 LYS CD C 13 29.461 0.002 A 66 LYS CE C 13 41.929 0.007 A 66 LYS CG C 13 24.846 0.011 A 66 LYS N N 15 114.157 0.009 A 67 VAL H H 1 7.190 0.002 A 67 VAL HA H 1 3.611 0.003 A 67 VAL HB H 1 1.785 0.002 A 67 VAL HGx% H 1 0.754 0.001 A 67 VAL HGy% H 1 0.103 0.002 A 67 VAL CA C 13 65.655 0.012 A 67 VAL CB C 13 31.425 0.033 A 67 VAL CGy C 13 22.558 0.001 A 67 VAL CGx C 13 19.541 0.002 A 67 VAL N N 15 119.827 0.011 A 68 LEU H H 1 6.936 0.002 A 68 LEU HA H 1 3.922 0.001 A 68 LEU HBy H 1 1.470 0.000 A 68 LEU HBx H 1 1.340 0.005 A 68 LEU HDx% H 1 0.513 0.003 A 68 LEU HDy% H 1 0.241 0.001 A 68 LEU HG H 1 1.292 0.004 A 68 LEU CA C 13 58.322 0.019 A 68 LEU CB C 13 41.911 0.011 A 68 LEU CDy C 13 25.325 0.008 A 68 LEU CDx C 13 24.923 0.001 A 68 LEU CG C 13 28.239 0.015 A 68 LEU N N 15 120.867 0.010 A 69 PHE H H 1 8.201 0.001 A 69 PHE HA H 1 4.265 0.001 A 69 PHE HBy H 1 3.025 0.000 A 69 PHE HBx H 1 2.972 0.000 A 69 PHE HDx H 1 7.121 0.000 A 69 PHE HDy H 1 7.121 0.000 A 69 PHE HEx H 1 7.079 0.000 A 69 PHE HEy H 1 7.079 0.000 A 69 PHE HZ H 1 7.159 0.000 A 69 PHE CA C 13 60.265 0.013 A 69 PHE CB C 13 38.725 0.009 A 69 PHE CDx C 13 131.427 0.000 A 69 PHE CEx C 13 130.970 0.000 A 69 PHE CZ C 13 129.008 0.000 A 69 PHE N N 15 112.682 0.009 A 70 ALA H H 1 7.448 0.001 A 70 ALA HA H 1 4.302 0.004 A 70 ALA HB% H 1 1.561 0.002 A 70 ALA CA C 13 54.025 0.062 A 70 ALA CB C 13 19.656 0.006 A 70 ALA N N 15 118.803 0.012 A 71 GLN H H 1 7.561 0.004 A 71 GLN HA H 1 4.848 0.007 A 71 GLN HBy H 1 2.058 0.001 A 71 GLN HBx H 1 1.956 0.005 A 71 GLN HGy H 1 2.279 0.007 A 71 GLN HGx H 1 2.219 0.007 A 71 GLN CA C 13 53.120 0.030 A 71 GLN CB C 13 29.026 0.003 A 71 GLN CG C 13 33.569 0.002 A 71 GLN N N 15 116.280 0.007 A 72 PRO HA H 1 4.989 0.002 A 72 PRO HBy H 1 2.669 0.004 A 72 PRO HBx H 1 2.317 0.009 A 72 PRO HDy H 1 3.584 0.003 A 72 PRO HDx H 1 3.510 0.005 A 72 PRO HGy H 1 2.285 0.003 A 72 PRO HGx H 1 1.988 0.001 A 72 PRO CA C 13 64.307 0.043 A 72 PRO CB C 13 30.240 0.009 A 72 PRO CD C 13 49.323 0.003 A 72 PRO CG C 13 27.632 0.007 A 73 THR H H 1 8.303 0.003 A 73 THR HA H 1 5.198 0.000 A 73 THR HB H 1 4.691 0.003 A 73 THR HG1 H 1 5.559 0.000 A 73 THR HG2% H 1 1.075 0.003 A 73 THR CA C 13 59.292 0.019 A 73 THR CB C 13 72.314 0.021 A 73 THR CG2 C 13 21.461 0.017 A 73 THR N N 15 109.972 0.011 A 74 ILE H H 1 9.908 0.003 A 74 ILE HA H 1 3.061 0.001 A 74 ILE HB H 1 1.154 0.001 A 74 ILE HD1% H 1 0.007 0.003 A 74 ILE HG1y H 1 -0.130 0.005 A 74 ILE HG1x H 1 -0.788 0.001 A 74 ILE HG2% H 1 0.686 0.002 A 74 ILE CA C 13 66.019 0.017 A 74 ILE CB C 13 37.443 0.003 A 74 ILE CD1 C 13 13.305 0.001 A 74 ILE CG1 C 13 28.815 0.002 A 74 ILE CG2 C 13 18.572 0.017 A 74 ILE N N 15 125.105 0.010 A 75 LYS H H 1 9.024 0.001 A 75 LYS HA H 1 3.797 0.002 A 75 LYS HBy H 1 1.720 0.003 A 75 LYS HBx H 1 1.531 0.005 A 75 LYS HDy H 1 1.549 0.001 A 75 LYS HDx H 1 1.482 0.003 A 75 LYS HEx H 1 2.904 0.001 A 75 LYS HEy H 1 2.904 0.001 A 75 LYS HGy H 1 1.398 0.000 A 75 LYS HGx H 1 1.214 0.002 A 75 LYS CA C 13 60.205 0.006 A 75 LYS CB C 13 33.098 0.009 A 75 LYS CD C 13 29.817 0.006 A 75 LYS CE C 13 42.213 0.006 A 75 LYS CG C 13 24.794 0.003 A 75 LYS N N 15 119.445 0.041 A 76 ALA H H 1 7.621 0.001 A 76 ALA HA H 1 4.216 0.001 A 76 ALA HB% H 1 1.534 0.002 A 76 ALA CA C 13 54.809 0.018 A 76 ALA CB C 13 19.422 0.012 A 76 ALA N N 15 119.581 0.009 A 77 LEU H H 1 8.915 0.001 A 77 LEU HA H 1 4.097 0.002 A 77 LEU HBy H 1 1.916 0.004 A 77 LEU HBx H 1 1.485 0.002 A 77 LEU HDx% H 1 0.992 0.001 A 77 LEU HDy% H 1 0.917 0.002 A 77 LEU HG H 1 2.106 0.000 A 77 LEU CA C 13 57.612 0.015 A 77 LEU CB C 13 42.192 0.012 A 77 LEU CDy C 13 25.120 0.034 A 77 LEU CDx C 13 25.004 0.000 A 77 LEU CG C 13 26.642 0.021 A 77 LEU N N 15 121.833 0.015 A 78 ALA H H 1 9.393 0.001 A 78 ALA HA H 1 3.751 0.002 A 78 ALA HB% H 1 1.421 0.002 A 78 ALA CA C 13 55.117 0.041 A 78 ALA CB C 13 19.603 0.017 A 78 ALA N N 15 120.481 0.009 A 79 GLN H H 1 7.179 0.001 A 79 GLN HA H 1 4.069 0.001 A 79 GLN HBx H 1 2.186 0.001 A 79 GLN HBy H 1 2.186 0.001 A 79 GLN HGy H 1 2.532 0.002 A 79 GLN HGx H 1 2.373 0.002 A 79 GLN CA C 13 58.790 0.024 A 79 GLN CB C 13 28.256 0.012 A 79 GLN CG C 13 33.757 0.004 A 79 GLN N N 15 117.799 0.008 A 80 TYR H H 1 7.716 0.001 A 80 TYR HA H 1 3.982 0.003 A 80 TYR HBy H 1 3.310 0.000 A 80 TYR HBx H 1 3.077 0.000 A 80 TYR HDx H 1 6.903 0.000 A 80 TYR HDy H 1 6.903 0.000 A 80 TYR HEx H 1 6.762 0.000 A 80 TYR HEy H 1 6.762 0.000 A 80 TYR CA C 13 61.965 0.012 A 80 TYR CB C 13 38.227 0.018 A 80 TYR CDx C 13 133.042 0.000 A 80 TYR CEx C 13 118.047 0.000 A 80 TYR N N 15 121.754 0.008 A 81 VAL H H 1 8.536 0.001 A 81 VAL HA H 1 3.264 0.001 A 81 VAL HB H 1 1.816 0.004 A 81 VAL HGx% H 1 0.917 0.004 A 81 VAL HGy% H 1 0.217 0.001 A 81 VAL CA C 13 66.719 0.012 A 81 VAL CB C 13 32.032 0.022 A 81 VAL CGy C 13 23.305 0.002 A 81 VAL CGx C 13 20.561 0.003 A 81 VAL N N 15 117.864 0.005 A 82 ALA H H 1 8.420 0.001 A 82 ALA HA H 1 3.931 0.000 A 82 ALA HB% H 1 1.441 0.000 A 82 ALA CA C 13 55.130 0.014 A 82 ALA CB C 13 18.588 0.003 A 82 ALA N N 15 121.044 0.005 A 83 THR H H 1 7.558 0.001 A 83 THR HA H 1 4.081 0.003 A 83 THR HB H 1 4.188 0.003 A 83 THR HG2% H 1 1.232 0.003 A 83 THR CA C 13 64.388 0.016 A 83 THR CB C 13 69.529 0.044 A 83 THR CG2 C 13 21.620 0.012 A 83 THR N N 15 109.020 0.008 A 84 ARG H H 1 7.368 0.002 A 84 ARG HA H 1 4.199 0.002 A 84 ARG HBy H 1 1.926 0.004 A 84 ARG HBx H 1 1.407 0.002 A 84 ARG HDy H 1 2.857 0.003 A 84 ARG HDx H 1 2.567 0.002 A 84 ARG HGx H 1 1.369 0.001 A 84 ARG HGy H 1 1.369 0.001 A 84 ARG CA C 13 56.279 0.007 A 84 ARG CB C 13 30.866 0.010 A 84 ARG CD C 13 42.350 0.003 A 84 ARG CG C 13 27.020 0.003 A 84 ARG N N 15 119.856 0.011 A 85 SER H H 1 7.783 0.003 A 85 SER HA H 1 4.301 0.001 A 85 SER HBy H 1 3.907 0.004 A 85 SER HBx H 1 3.761 0.002 A 85 SER CA C 13 58.927 0.010 A 85 SER CB C 13 63.778 0.011 A 85 SER N N 15 114.607 0.006 A 86 HIS HA H 1 4.608 0.000 A 86 HIS HBy H 1 3.130 0.000 A 86 HIS HBx H 1 3.080 0.000 A 86 HIS CA C 13 56.102 0.058 A 86 HIS CB C 13 30.233 0.000 A 87 HIS H H 1 8.102 0.001 A 87 HIS HA H 1 4.421 0.000 A 87 HIS HBy H 1 3.189 0.000 A 87 HIS HBx H 1 3.055 0.000 A 87 HIS CA C 13 57.381 0.004 A 87 HIS CB C 13 30.430 0.023 A 87 HIS N N 15 125.453 0.007 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 4 THR H A 4 THR HB 1.0 . 3.95 2 2 A 4 THR H A 3 VAL HA 1.0 . 3.21 3 3 A 4 THR H A 3 VAL HB 1.0 . 4.18 4 4 A 4 THR H A 4 THR HG2% 1.0 . 3.80 5 5 A 4 THR H A 3 VAL HGx% 1.0 . 4.57 6 6 A 4 THR H A 3 VAL HGy% 1.0 . 4.57 7 7 A 4 THR HA A 5 GLU H 1.0 . 3.02 8 8 A 5 GLU H A 5 GLU HGx 1.0 . 4.10 9 8 A 5 GLU H A 5 GLU HGy 1.0 . 4.10 10 9 A 5 GLU H A 5 GLU HBy 1.0 . 3.79 11 10 A 5 GLU H A 5 GLU HBx 1.0 . 3.79 12 11 A 5 GLU H A 6 ALA HB% 1.0 . 5.00 13 12 A 4 THR HG2% A 5 GLU H 1.0 . 4.40 14 13 A 6 ALA HB% A 6 ALA H 1.0 . 2.69 15 14 A 4 THR HG2% A 6 ALA H 1.0 . 4.79 16 15 A 6 ALA H A 35 LEU HDy% 1.0 . 5.50 17 16 A 6 ALA H A 35 LEU HBx 1.0 . 5.10 18 16 A 6 ALA H A 35 LEU HBy 1.0 . 5.10 19 17 A 6 ALA H A 5 GLU HBx 1.0 . 4.46 20 18 A 6 ALA H A 5 GLU HBy 1.0 . 4.46 21 19 A 6 ALA H A 5 GLU HGx 1.0 . 4.69 22 19 A 5 GLU HGy A 6 ALA H 1.0 . 4.69 23 20 A 6 ALA H A 5 GLU HA 1.0 . 3.39 24 21 A 4 THR HA A 6 ALA H 1.0 . 4.31 25 22 A 5 GLU H A 6 ALA H 1.0 . 3.19 26 23 A 6 ALA HA A 7 GLN H 1.0 . 3.20 27 24 A 7 GLN H A 7 GLN HGx 1.0 . 4.12 28 24 A 7 GLN H A 7 GLN HGy 1.0 . 4.12 29 25 A 6 ALA HB% A 7 GLN H 1.0 . 3.11 30 26 A 7 GLN H A 9 VAL HGx% 1.0 . 4.55 31 26 A 7 GLN H A 9 VAL HGy% 1.0 . 4.55 32 27 A 8 TYR H A 8 TYR HD% 1.0 . 4.31 33 28 A 8 TYR H A 9 VAL H 1.0 . 4.69 34 29 A 8 TYR H A 7 GLN HA 1.0 . 2.59 35 30 A 8 TYR H A 8 TYR HBy 1.0 . 2.95 36 31 A 8 TYR H A 8 TYR HBx 1.0 . 2.95 37 32 A 8 TYR H A 7 GLN HGx 1.0 . 3.83 38 32 A 7 GLN HGy A 8 TYR H 1.0 . 3.83 39 33 A 8 TYR H A 7 GLN HBy 1.0 . 4.15 40 34 A 8 TYR H A 7 GLN HBx 1.0 . 4.15 41 35 A 6 ALA HB% A 8 TYR H 1.0 . 5.50 42 36 A 8 TYR H A 35 LEU HG 1.0 . 5.50 43 37 A 8 TYR H A 9 VAL HGx% 1.0 . 4.54 44 37 A 9 VAL HGy% A 8 TYR H 1.0 . 4.54 45 38 A 9 VAL H A 9 VAL HGx% 1.0 . 3.16 46 38 A 9 VAL HGy% A 9 VAL H 1.0 . 3.16 47 39 A 35 LEU HDy% A 9 VAL H 1.0 . 4.08 48 40 A 9 VAL H A 9 VAL HB 1.0 . 3.21 49 41 A 9 VAL H A 35 LEU HG 1.0 . 4.64 50 42 A 9 VAL H A 35 LEU HBx 1.0 . 5.17 51 42 A 35 LEU HBy A 9 VAL H 1.0 . 5.17 52 43 A 9 VAL H A 8 TYR HBx 1.0 . 4.66 53 44 A 9 VAL H A 8 TYR HBy 1.0 . 4.66 54 45 A 9 VAL H A 8 TYR HA 1.0 . 2.65 55 46 A 8 TYR HD% A 9 VAL H 1.0 . 3.69 56 47 A 9 VAL H A 33 GLY H 1.0 . 4.69 57 48 A 10 ALA H A 9 VAL HGx% 1.0 . 2.86 58 48 A 9 VAL HGy% A 10 ALA H 1.0 . 2.86 59 49 A 10 ALA H A 10 ALA HB% 1.0 . 2.57 60 50 A 9 VAL HB A 10 ALA H 1.0 . 4.34 61 51 A 10 ALA H A 9 VAL HA 1.0 . 2.40 62 52 A 9 VAL H A 10 ALA H 1.0 . 4.13 63 53 A 12 THR H A 34 ILE HD1% 1.0 . 4.74 64 54 A 12 THR H A 34 ILE HG2% 1.0 . 3.58 65 55 A 12 THR H A 12 THR HG2% 1.0 . 3.23 66 56 A 10 ALA HB% A 12 THR H 1.0 . 5.50 67 57 A 12 THR H A 16 GLU HBx 1.0 . 4.18 68 58 A 12 THR H A 11 PRO HBx 1.0 . 3.61 69 58 A 12 THR H A 11 PRO HBy 1.0 . 3.61 70 59 A 12 THR H A 16 GLU HBy 1.0 . 3.61 71 60 A 12 THR H A 11 PRO HA 1.0 . 2.76 72 61 A 12 THR H A 12 THR HB 1.0 . 4.00 73 62 A 12 THR H A 17 SER H 1.0 . 5.42 74 63 A 12 THR H A 13 ASN H 1.0 . 2.66 75 64 A 13 ASN H A 16 GLU H 1.0 . 3.94 76 65 A 13 ASN H A 15 VAL H 1.0 . 5.00 77 66 A 13 ASN H A 12 THR HA 1.0 . 3.46 78 67 A 12 THR HB A 13 ASN H 1.0 . 4.40 79 68 A 11 PRO HA A 13 ASN H 1.0 . 3.85 80 69 A 12 THR H A 13 ASN HA 1.0 . 4.78 81 70 A 13 ASN H A 17 SER HBx 1.0 . 4.71 82 70 A 13 ASN H A 17 SER HBy 1.0 . 4.71 83 71 A 13 ASN H A 16 GLU HA 1.0 . 5.50 84 72 A 13 ASN H A 13 ASN HBy 1.0 . 3.86 85 73 A 13 ASN H A 13 ASN HBx 1.0 . 3.86 86 74 A 13 ASN H A 16 GLU HGy 1.0 . 4.28 87 75 A 16 GLU HBy A 13 ASN H 1.0 . 2.91 88 76 A 13 ASN H A 11 PRO HBx 1.0 . 3.36 89 76 A 11 PRO HBy A 13 ASN H 1.0 . 3.36 90 77 A 13 ASN H A 16 GLU HGx 1.0 . 4.00 91 78 A 16 GLU HBx A 13 ASN H 1.0 . 4.17 92 79 A 12 THR HG2% A 13 ASN H 1.0 . 4.09 93 80 A 34 ILE HG2% A 13 ASN H 1.0 . 4.75 94 81 A 16 GLU H A 15 VAL H 1.0 . 2.74 95 82 A 15 VAL H A 13 ASN HA 1.0 . 4.53 96 83 A 15 VAL H A 17 SER HBx 1.0 . 5.05 97 83 A 15 VAL H A 17 SER HBy 1.0 . 5.05 98 84 A 15 VAL H A 16 GLU HA 1.0 . 5.41 99 85 A 15 VAL H A 13 ASN HBy 1.0 . 4.39 100 86 A 15 VAL H A 13 ASN HBx 1.0 . 4.39 101 87 A 15 VAL H A 16 GLU HGy 1.0 . 4.66 102 88 A 15 VAL H A 15 VAL HB 1.0 . 2.84 103 89 A 15 VAL H A 16 GLU HGx 1.0 . 4.80 104 90 A 15 VAL H A 14 ALA HB% 1.0 . 3.02 105 91 A 15 VAL H A 78 ALA HB% 1.0 . 5.09 106 92 A 15 VAL H A 15 VAL HGx% 1.0 . 3.85 107 93 A 15 VAL H A 15 VAL HGy% 1.0 . 3.85 108 94 A 16 GLU H A 15 VAL HGy% 1.0 . 3.84 109 95 A 16 GLU H A 15 VAL HGx% 1.0 . 3.84 110 96 A 16 GLU H A 78 ALA HB% 1.0 . 3.58 111 97 A 16 GLU HBx A 16 GLU H 1.0 . 3.75 112 98 A 16 GLU H A 16 GLU HGx 1.0 . 3.27 113 99 A 16 GLU H A 15 VAL HB 1.0 . 3.05 114 100 A 16 GLU HBy A 16 GLU H 1.0 . 3.24 115 101 A 16 GLU H A 16 GLU HGy 1.0 . 2.91 116 102 A 16 GLU H A 13 ASN HBx 1.0 . 4.91 117 103 A 16 GLU H A 13 ASN HBy 1.0 . 4.91 118 104 A 16 GLU H A 17 SER HBx 1.0 . 4.66 119 104 A 16 GLU H A 17 SER HBy 1.0 . 4.66 120 105 A 16 GLU H A 18 LYS H 1.0 . 4.42 121 106 A 12 THR H A 16 GLU H 1.0 . 5.50 122 107 A 17 SER H A 15 VAL HGy% 1.0 . 5.38 123 108 A 17 SER H A 15 VAL HGx% 1.0 . 5.38 124 109 A 17 SER H A 20 ALA HB% 1.0 . 5.08 125 110 A 17 SER H A 78 ALA HB% 1.0 . 5.50 126 111 A 17 SER H A 11 PRO HGx 1.0 . 4.62 127 112 A 16 GLU HBx A 17 SER H 1.0 . 5.04 128 113 A 17 SER H A 11 PRO HBx 1.0 . 3.15 129 113 A 11 PRO HBy A 17 SER H 1.0 . 3.15 130 114 A 16 GLU HBy A 17 SER H 1.0 . 3.07 131 115 A 17 SER H A 11 PRO HGy 1.0 . 4.62 132 116 A 17 SER H A 16 GLU HGy 1.0 . 4.55 133 117 A 17 SER H A 17 SER HBx 1.0 . 2.65 134 117 A 17 SER H A 17 SER HBy 1.0 . 2.65 135 118 A 17 SER H A 14 ALA HA 1.0 . 3.91 136 119 A 17 SER H A 13 ASN H 1.0 . 4.25 137 120 A 17 SER H A 15 VAL H 1.0 . 3.87 138 121 A 18 LYS H A 19 LEU H 1.0 . 2.93 139 122 A 17 SER H A 18 LYS H 1.0 . 2.97 140 123 A 18 LYS H A 15 VAL HA 1.0 . 3.52 141 124 A 18 LYS H A 17 SER HBx 1.0 . 2.91 142 124 A 17 SER HBy A 18 LYS H 1.0 . 2.91 143 125 A 18 LYS H A 17 SER HA 1.0 . 3.55 144 126 A 16 GLU HA A 18 LYS H 1.0 . 4.57 145 127 A 18 LYS H A 18 LYS HEy 1.0 . 5.20 146 128 A 18 LYS H A 18 LYS HEx 1.0 . 5.20 147 129 A 18 LYS H A 18 LYS HBy 1.0 . 2.78 148 130 A 18 LYS H A 18 LYS HGy 1.0 . 3.79 149 131 A 18 LYS H A 18 LYS HGx 1.0 . 3.79 150 132 A 19 LEU H A 74 ILE HD1% 1.0 . 4.72 151 133 A 19 LEU H A 19 LEU HDx% 1.0 . 4.53 152 134 A 19 LEU H A 19 LEU HDy% 1.0 . 4.53 153 135 A 20 ALA HB% A 19 LEU H 1.0 . 5.50 154 136 A 78 ALA HB% A 19 LEU H 1.0 . 5.50 155 137 A 19 LEU H A 19 LEU HG 1.0 . 3.11 156 138 A 19 LEU H A 19 LEU HBy 1.0 . 2.74 157 139 A 19 LEU H A 18 LYS HBy 1.0 . 3.12 158 140 A 16 GLU HA A 19 LEU H 1.0 . 3.78 159 141 A 19 LEU H A 20 ALA HA 1.0 . 5.50 160 142 A 19 LEU H A 15 VAL HA 1.0 . 4.68 161 143 A 19 LEU H A 59 TYR HE% 1.0 . 4.78 162 144 A 19 LEU H A 21 GLU H 1.0 . 4.30 163 145 A 17 SER H A 19 LEU H 1.0 . 4.82 164 146 A 20 ALA H A 23 TRP H 1.0 . 5.12 165 147 A 19 LEU H A 20 ALA H 1.0 . 2.91 166 148 A 20 ALA H A 18 LYS HA 1.0 . 4.73 167 149 A 16 GLU HA A 20 ALA H 1.0 . 4.26 168 150 A 20 ALA H A 23 TRP HBy 1.0 . 5.50 169 151 A 18 LYS HBy A 20 ALA H 1.0 . 5.02 170 152 A 19 LEU HBy A 20 ALA H 1.0 . 3.14 171 153 A 20 ALA HB% A 20 ALA H 1.0 . 2.54 172 154 A 20 ALA H A 19 LEU HBx 1.0 . 3.96 173 155 A 20 ALA H A 74 ILE HG2% 1.0 . 3.34 174 156 A 74 ILE HD1% A 20 ALA H 1.0 . 3.37 175 157 A 20 ALA H A 74 ILE HG1x 1.0 . 4.68 176 158 A 20 ALA H A 74 ILE HG1y 1.0 . 5.50 177 159 A 74 ILE HD1% A 21 GLU H 1.0 . 4.57 178 160 A 21 GLU H A 74 ILE HG2% 1.0 . 5.46 179 161 A 21 GLU H A 19 LEU HBx 1.0 . 5.50 180 162 A 21 GLU H A 22 ILE HD1% 1.0 . 5.50 181 163 A 20 ALA HB% A 21 GLU H 1.0 . 2.87 182 164 A 19 LEU HBy A 21 GLU H 1.0 . 4.95 183 165 A 21 GLU H A 21 GLU HGx 1.0 . 3.42 184 166 A 21 GLU H A 21 GLU HGy 1.0 . 3.42 185 167 A 21 GLU H A 23 TRP HBy 1.0 . 5.04 186 168 A 21 GLU H A 19 LEU HA 1.0 . 4.01 187 169 A 21 GLU H A 18 LYS HA 1.0 . 3.71 188 170 A 21 GLU H A 20 ALA H 1.0 . 2.96 189 171 A 21 GLU H A 22 ILE H 1.0 . 2.94 190 172 A 21 GLU H A 24 GLU H 1.0 . 5.09 191 173 A 21 GLU H A 23 TRP H 1.0 . 4.30 192 174 A 22 ILE HD1% A 22 ILE H 1.0 . 3.72 193 175 A 22 ILE H A 22 ILE HG1x 1.0 . 3.58 194 176 A 20 ALA HB% A 22 ILE H 1.0 . 5.12 195 177 A 22 ILE H A 25 ARG HGx 1.0 . 4.79 196 177 A 22 ILE H A 25 ARG HGy 1.0 . 4.79 197 178 A 22 ILE H A 22 ILE HG1y 1.0 . 3.58 198 179 A 22 ILE H A 22 ILE HB 1.0 . 2.73 199 180 A 23 TRP HBy A 22 ILE H 1.0 . 5.04 200 181 A 19 LEU HA A 22 ILE H 1.0 . 3.44 201 182 A 18 LYS HA A 22 ILE H 1.0 . 4.97 202 183 A 20 ALA H A 22 ILE H 1.0 . 4.80 203 184 A 22 ILE H A 24 GLU H 1.0 . 4.36 204 185 A 23 TRP H A 22 ILE H 1.0 . 3.15 205 186 A 23 TRP H A 23 TRP HE3 1.0 . 5.50 206 187 A 23 TRP H A 23 TRP HE1 1.0 . 5.14 207 188 A 23 TRP H A 23 TRP HD1 1.0 . 3.07 208 189 A 23 TRP H A 19 LEU HA 1.0 . 4.47 209 190 A 23 TRP H A 23 TRP HBy 1.0 . 2.91 210 191 A 23 TRP H A 22 ILE HB 1.0 . 3.02 211 192 A 23 TRP H A 25 ARG HGx 1.0 . 5.01 212 192 A 23 TRP H A 25 ARG HGy 1.0 . 5.01 213 193 A 20 ALA HB% A 23 TRP H 1.0 . 5.07 214 194 A 23 TRP H A 22 ILE HG2% 1.0 . 3.75 215 195 A 23 TRP H A 22 ILE HD1% 1.0 . 4.77 216 196 A 74 ILE HD1% A 23 TRP H 1.0 . 4.27 217 197 A 23 TRP HE1 A 77 LEU HDy% 1.0 . 4.99 218 198 A 23 TRP H A 24 GLU H 1.0 . 3.18 219 199 A 24 GLU H A 26 VAL H 1.0 . 4.93 220 200 A 35 LEU H A 75 LYS H 1.0 . 5.43 221 201 A 24 GLU H A 23 TRP HD1 1.0 . 4.87 222 202 A 23 TRP HBy A 24 GLU H 1.0 . 3.23 223 203 A 24 GLU H A 24 GLU HBy 1.0 . 2.98 224 204 A 24 GLU H A 25 ARG HGx 1.0 . 4.11 225 204 A 24 GLU H A 25 ARG HGy 1.0 . 4.11 226 205 A 75 LYS H A 73 THR HG2% 1.0 . 3.60 227 206 A 25 ARG H A 25 ARG HGx 1.0 . 3.12 228 206 A 25 ARG HGy A 25 ARG H 1.0 . 3.12 229 207 A 24 GLU HBy A 25 ARG H 1.0 . 3.20 230 208 A 25 ARG H A 25 ARG HDx 1.0 . 3.98 231 208 A 25 ARG H A 25 ARG HDy 1.0 . 3.98 232 209 A 25 ARG H A 22 ILE HA 1.0 . 3.52 233 210 A 25 ARG H A 25 ARG HA 1.0 . 2.92 234 211 A 25 ARG H A 29 VAL H 1.0 . 5.50 235 212 A 26 VAL H A 25 ARG H 1.0 . 2.91 236 213 A 24 GLU H A 25 ARG H 1.0 . 3.06 237 214 A 23 TRP H A 25 ARG H 1.0 . 4.36 238 215 A 26 VAL H A 27 LEU H 1.0 . 2.95 239 216 A 26 VAL H A 23 TRP HA 1.0 . 3.73 240 217 A 26 VAL H A 23 TRP HBx 1.0 . 5.50 241 218 A 26 VAL H A 25 ARG HDx 1.0 . 5.50 242 218 A 26 VAL H A 25 ARG HDy 1.0 . 5.50 243 219 A 26 VAL H A 27 LEU HA 1.0 . 5.21 244 220 A 26 VAL H A 28 GLY HAx 1.0 . 5.12 245 220 A 26 VAL H A 28 GLY HAy 1.0 . 5.12 246 221 A 26 VAL H A 24 GLU HBy 1.0 . 5.27 247 222 A 26 VAL H A 26 VAL HB 1.0 . 3.54 248 223 A 26 VAL H A 25 ARG HGx 1.0 . 4.07 249 223 A 25 ARG HGy A 26 VAL H 1.0 . 4.07 250 224 A 16 GLU H A 14 ALA HB% 1.0 . 5.22 251 225 A 26 VAL H A 27 LEU HG 1.0 . 5.50 252 226 A 26 VAL H A 27 LEU HDx% 1.0 . 5.50 253 227 A 26 VAL H A 27 LEU HDy% 1.0 . 5.50 254 228 A 27 LEU H A 27 LEU HDy% 1.0 . 3.93 255 229 A 27 LEU H A 27 LEU HDx% 1.0 . 3.93 256 230 A 27 LEU H A 26 VAL HGx% 1.0 . 4.26 257 231 A 27 LEU H A 26 VAL HGy% 1.0 . 4.26 258 232 A 27 LEU H A 27 LEU HBx 1.0 . 3.71 259 233 A 27 LEU H A 27 LEU HG 1.0 . 2.98 260 234 A 27 LEU H A 27 LEU HBy 1.0 . 2.90 261 235 A 27 LEU H A 26 VAL HB 1.0 . 3.05 262 236 A 27 LEU H A 23 TRP HBx 1.0 . 4.88 263 237 A 27 LEU H A 28 GLY HAx 1.0 . 4.49 264 237 A 27 LEU H A 28 GLY HAy 1.0 . 4.49 265 238 A 27 LEU H A 23 TRP HA 1.0 . 3.94 266 239 A 27 LEU H A 24 GLU HA 1.0 . 4.36 267 240 A 27 LEU H A 38 PHE HE% 1.0 . 5.32 268 241 A 29 VAL H A 27 LEU H 1.0 . 4.30 269 242 A 27 LEU H A 28 GLY H 1.0 . 2.95 270 243 A 26 VAL H A 28 GLY H 1.0 . 3.98 271 244 A 28 GLY H A 29 VAL HA 1.0 . 5.34 272 245 A 24 GLU HA A 28 GLY H 1.0 . 3.52 273 246 A 28 GLY H A 28 GLY HAx 1.0 . 2.71 274 246 A 28 GLY HAy A 28 GLY H 1.0 . 2.71 275 247 A 28 GLY H A 26 VAL HA 1.0 . 5.29 276 248 A 27 LEU HBy A 28 GLY H 1.0 . 3.55 277 249 A 27 LEU HG A 28 GLY H 1.0 . 4.55 278 250 A 27 LEU HBx A 28 GLY H 1.0 . 4.17 279 251 A 28 GLY H A 26 VAL HGx% 1.0 . 5.50 280 252 A 28 GLY H A 26 VAL HGy% 1.0 . 5.50 281 253 A 28 GLY H A 27 LEU HDx% 1.0 . 4.97 282 254 A 28 GLY H A 27 LEU HDy% 1.0 . 4.97 283 255 A 29 VAL H A 27 LEU HDy% 1.0 . 5.50 284 256 A 29 VAL H A 27 LEU HDx% 1.0 . 5.50 285 257 A 29 VAL H A 29 VAL HGy% 1.0 . 4.03 286 258 A 29 VAL H A 32 ILE HD1% 1.0 . 4.60 287 259 A 29 VAL H A 29 VAL HGx% 1.0 . 4.03 288 260 A 29 VAL H A 27 LEU HBx 1.0 . 4.05 289 261 A 29 VAL H A 27 LEU HG 1.0 . 5.50 290 262 A 29 VAL H A 32 ILE HG1y 1.0 . 5.50 291 263 A 29 VAL H A 27 LEU HBy 1.0 . 3.16 292 264 A 29 VAL H A 24 GLU HBx 1.0 . 4.23 293 265 A 29 VAL H A 24 GLU HGx 1.0 . 5.38 294 266 A 29 VAL H A 24 GLU HGy 1.0 . 5.38 295 267 A 29 VAL H A 30 SER HBx 1.0 . 5.50 296 267 A 29 VAL H A 30 SER HBy 1.0 . 5.50 297 268 A 29 VAL H A 28 GLY HAx 1.0 . 3.17 298 268 A 29 VAL H A 28 GLY HAy 1.0 . 3.17 299 269 A 29 VAL H A 24 GLU HA 1.0 . 3.21 300 270 A 29 VAL H A 30 SER HA 1.0 . 5.16 301 271 A 29 VAL H A 28 GLY H 1.0 . 2.91 302 272 A 29 VAL H A 30 SER H 1.0 . 4.76 303 273 A 29 VAL HA A 30 SER H 1.0 . 2.67 304 274 A 24 GLU HA A 30 SER H 1.0 . 5.50 305 275 A 30 SER H A 31 GLY HAx 1.0 . 5.00 306 276 A 30 SER H A 30 SER HBx 1.0 . 3.02 307 276 A 30 SER HBy A 30 SER H 1.0 . 3.02 308 277 A 24 GLU HBx A 30 SER H 1.0 . 5.50 309 278 A 30 SER H A 29 VAL HB 1.0 . 3.17 310 279 A 32 ILE HD1% A 30 SER H 1.0 . 5.06 311 280 A 32 ILE HG1y A 30 SER H 1.0 . 5.50 312 281 A 32 ILE HG1y A 31 GLY H 1.0 . 4.16 313 282 A 31 GLY H A 32 ILE HB 1.0 . 4.58 314 283 A 32 ILE HD1% A 31 GLY H 1.0 . 4.31 315 284 A 31 GLY H A 24 GLU HGx 1.0 . 4.78 316 285 A 31 GLY H A 24 GLU HGy 1.0 . 4.78 317 286 A 31 GLY H A 31 GLY HAy 1.0 . 2.60 318 287 A 24 GLU HA A 31 GLY H 1.0 . 5.50 319 288 A 30 SER HA A 31 GLY H 1.0 . 2.89 320 289 A 31 GLY H A 8 TYR HE% 1.0 . 5.50 321 290 A 30 SER H A 31 GLY H 1.0 . 4.22 322 291 A 33 GLY H A 32 ILE H 1.0 . 4.69 323 292 A 31 GLY H A 32 ILE H 1.0 . 2.90 324 293 A 8 TYR HE% A 32 ILE H 1.0 . 4.81 325 294 A 30 SER HA A 32 ILE H 1.0 . 4.53 326 295 A 31 GLY HAy A 32 ILE H 1.0 . 3.23 327 296 A 32 ILE H A 24 GLU HGy 1.0 . 4.30 328 297 A 32 ILE H A 24 GLU HGx 1.0 . 4.30 329 298 A 32 ILE HB A 32 ILE H 1.0 . 2.79 330 299 A 32 ILE HG1y A 32 ILE H 1.0 . 2.92 331 300 A 32 ILE H A 32 ILE HG2% 1.0 . 3.86 332 301 A 32 ILE HD1% A 32 ILE H 1.0 . 3.54 333 302 A 33 GLY H A 10 ALA HA 1.0 . 5.30 334 303 A 33 GLY H A 32 ILE HA 1.0 . 2.57 335 304 A 33 GLY H A 36 ASP HBy 1.0 . 4.32 336 305 A 33 GLY H A 36 ASP HBx 1.0 . 4.32 337 306 A 33 GLY H A 32 ILE HB 1.0 . 4.38 338 307 A 33 GLY H A 32 ILE HG1y 1.0 . 5.28 339 308 A 33 GLY H A 32 ILE HG2% 1.0 . 3.06 340 309 A 33 GLY H A 32 ILE HD1% 1.0 . 3.90 341 310 A 35 LEU HDy% A 33 GLY H 1.0 . 4.32 342 311 A 34 ILE HG2% A 34 ILE H 1.0 . 2.84 343 312 A 34 ILE H A 74 ILE HB 1.0 . 4.60 344 313 A 34 ILE H A 34 ILE HB 1.0 . 3.68 345 314 A 9 VAL HB A 34 ILE H 1.0 . 3.53 346 315 A 34 ILE H A 33 GLY HAx 1.0 . 3.12 347 316 A 10 ALA HA A 34 ILE H 1.0 . 4.21 348 317 A 34 ILE H A 33 GLY HAy 1.0 . 3.12 349 318 A 34 ILE H A 35 LEU HA 1.0 . 5.22 350 319 A 9 VAL H A 34 ILE H 1.0 . 3.68 351 320 A 8 TYR HE% A 34 ILE H 1.0 . 5.15 352 321 A 34 ILE H A 36 ASP H 1.0 . 4.23 353 322 A 35 LEU H A 34 ILE H 1.0 . 3.20 354 323 A 33 GLY H A 35 LEU H 1.0 . 5.05 355 324 A 9 VAL H A 35 LEU H 1.0 . 4.11 356 325 A 35 LEU H A 33 GLY HAy 1.0 . 4.36 357 326 A 35 LEU H A 33 GLY HAx 1.0 . 4.36 358 327 A 35 LEU H A 35 LEU HBx 1.0 . 3.06 359 327 A 35 LEU HBy A 35 LEU H 1.0 . 3.06 360 328 A 9 VAL HB A 35 LEU H 1.0 . 4.03 361 329 A 35 LEU HG A 35 LEU H 1.0 . 3.79 362 330 A 35 LEU H A 32 ILE HG2% 1.0 . 5.50 363 331 A 35 LEU H A 74 ILE HB 1.0 . 5.50 364 332 A 35 LEU H A 73 THR HG2% 1.0 . 4.43 365 333 A 35 LEU HDy% A 35 LEU H 1.0 . 3.27 366 334 A 34 ILE HD1% A 35 LEU H 1.0 . 4.20 367 335 A 34 ILE HG2% A 35 LEU H 1.0 . 4.23 368 336 A 8 TYR HD% A 10 ALA H 1.0 . 4.50 369 337 A 36 ASP H A 74 ILE H 1.0 . 4.92 370 338 A 33 GLY H A 36 ASP H 1.0 . 4.34 371 339 A 35 LEU H A 36 ASP H 1.0 . 2.71 372 340 A 36 ASP H A 73 THR HA 1.0 . 4.85 373 341 A 36 ASP H A 34 ILE HA 1.0 . 4.14 374 342 A 36 ASP H A 36 ASP HBy 1.0 . 3.36 375 343 A 36 ASP H A 36 ASP HBx 1.0 . 3.36 376 344 A 36 ASP H A 35 LEU HBx 1.0 . 4.01 377 344 A 35 LEU HBy A 36 ASP H 1.0 . 4.01 378 345 A 35 LEU HG A 36 ASP H 1.0 . 5.02 379 346 A 32 ILE HG2% A 36 ASP H 1.0 . 4.52 380 347 A 73 THR HG2% A 36 ASP H 1.0 . 4.20 381 348 A 35 LEU HDy% A 36 ASP H 1.0 . 3.94 382 349 A 36 ASP H A 35 LEU HDx% 1.0 . 4.17 383 350 A 34 ILE HG2% A 36 ASP H 1.0 . 5.37 384 351 A 37 ASN H A 41 ILE HD1% 1.0 . 4.01 385 352 A 73 THR HG2% A 37 ASN H 1.0 . 4.06 386 353 A 37 ASN H A 35 LEU HBx 1.0 . 5.50 387 353 A 35 LEU HBy A 37 ASN H 1.0 . 5.50 388 354 A 37 ASN H A 40 GLN HBy 1.0 . 4.56 389 355 A 37 ASN H A 40 GLN HBx 1.0 . 4.56 390 356 A 37 ASN H A 37 ASN HBx 1.0 . 2.64 391 356 A 37 ASN H A 37 ASN HBy 1.0 . 2.64 392 357 A 37 ASN H A 36 ASP HA 1.0 . 2.57 393 358 A 73 THR HA A 37 ASN H 1.0 . 5.50 394 359 A 36 ASP H A 37 ASN H 1.0 . 4.48 395 360 A 37 ASN H A 38 PHE H 1.0 . 4.56 396 361 A 38 PHE H A 23 TRP HH2 1.0 . 3.53 397 362 A 38 PHE H A 39 PHE HD% 1.0 . 4.85 398 363 A 73 THR HA A 38 PHE H 1.0 . 4.14 399 364 A 38 PHE H A 37 ASN HA 1.0 . 2.81 400 365 A 38 PHE H A 38 PHE HD% 1.0 . 4.36 401 366 A 38 PHE H A 38 PHE HBy 1.0 . 3.06 402 367 A 38 PHE H A 72 PRO HBy 1.0 . 4.05 403 368 A 38 PHE H A 41 ILE HB 1.0 . 5.50 404 369 A 38 PHE H A 38 PHE HBx 1.0 . 3.28 405 370 A 38 PHE H A 41 ILE HG1x 1.0 . 5.23 406 371 A 73 THR HG2% A 38 PHE H 1.0 . 4.00 407 372 A 41 ILE HD1% A 38 PHE H 1.0 . 4.64 408 373 A 41 ILE HD1% A 39 PHE H 1.0 . 4.85 409 374 A 41 ILE HG1x A 39 PHE H 1.0 . 5.50 410 375 A 38 PHE HBx A 39 PHE H 1.0 . 3.38 411 376 A 41 ILE HB A 39 PHE H 1.0 . 5.43 412 377 A 72 PRO HBy A 39 PHE H 1.0 . 4.42 413 378 A 39 PHE H A 40 GLN HBy 1.0 . 5.50 414 379 A 39 PHE H A 40 GLN HBx 1.0 . 5.50 415 380 A 38 PHE HBy A 39 PHE H 1.0 . 3.96 416 381 A 39 PHE H A 39 PHE HBx 1.0 . 3.78 417 382 A 39 PHE H A 39 PHE HBy 1.0 . 3.78 418 383 A 39 PHE H A 40 GLN HA 1.0 . 5.31 419 384 A 37 ASN HA A 39 PHE H 1.0 . 4.32 420 385 A 38 PHE HE% A 39 PHE H 1.0 . 5.50 421 386 A 39 PHE H A 39 PHE HE% 1.0 . 4.49 422 387 A 39 PHE H A 41 ILE H 1.0 . 4.10 423 388 A 39 PHE HD% A 39 PHE H 1.0 . 3.21 424 389 A 39 PHE H A 40 GLN H 1.0 . 2.90 425 390 A 38 PHE H A 39 PHE H 1.0 . 3.65 426 391 A 38 PHE H A 40 GLN H 1.0 . 4.52 427 392 A 37 ASN H A 40 GLN H 1.0 . 4.56 428 393 A 40 GLN H A 43 GLY H 1.0 . 5.32 429 394 A 41 ILE H A 40 GLN H 1.0 . 2.88 430 395 A 37 ASN HA A 40 GLN H 1.0 . 5.06 431 396 A 38 PHE HD% A 40 GLN H 1.0 . 5.50 432 397 A 40 GLN H A 41 ILE HA 1.0 . 5.18 433 398 A 40 GLN H A 39 PHE HBy 1.0 . 4.19 434 399 A 40 GLN H A 38 PHE HA 1.0 . 4.45 435 400 A 40 GLN H A 39 PHE HBx 1.0 . 4.19 436 401 A 40 GLN H A 37 ASN HBx 1.0 . 3.50 437 401 A 37 ASN HBy A 40 GLN H 1.0 . 3.50 438 402 A 40 GLN H A 40 GLN HBy 1.0 . 3.45 439 403 A 40 GLN H A 40 GLN HBx 1.0 . 3.45 440 404 A 38 PHE HBx A 40 GLN H 1.0 . 4.97 441 405 A 41 ILE HG1x A 40 GLN H 1.0 . 4.38 442 406 A 41 ILE HD1% A 40 GLN H 1.0 . 4.41 443 407 A 41 ILE HG1x A 41 ILE H 1.0 . 3.08 444 408 A 41 ILE H A 41 ILE HG1y 1.0 . 3.84 445 409 A 41 ILE HD1% A 41 ILE H 1.0 . 3.19 446 410 A 41 ILE H A 40 GLN HBy 1.0 . 4.47 447 411 A 41 ILE H A 40 GLN HBx 1.0 . 4.47 448 412 A 41 ILE HB A 41 ILE H 1.0 . 3.55 449 413 A 41 ILE H A 37 ASN HBx 1.0 . 4.85 450 413 A 37 ASN HBy A 41 ILE H 1.0 . 4.85 451 414 A 41 ILE H A 38 PHE HA 1.0 . 4.53 452 415 A 41 ILE H A 39 PHE HA 1.0 . 4.95 453 416 A 41 ILE H A 42 GLY H 1.0 . 3.41 454 417 A 40 GLN H A 42 GLY H 1.0 . 5.09 455 418 A 41 ILE HB A 42 GLY H 1.0 . 5.13 456 419 A 42 GLY H A 41 ILE HG2% 1.0 . 5.01 457 420 A 43 GLY H A 27 LEU HDy% 1.0 . 4.35 458 421 A 43 GLY H A 27 LEU HDx% 1.0 . 4.35 459 422 A 43 GLY H A 41 ILE HG2% 1.0 . 4.98 460 423 A 41 ILE HD1% A 43 GLY H 1.0 . 5.50 461 424 A 41 ILE HB A 43 GLY H 1.0 . 4.67 462 425 A 43 GLY H A 38 PHE HA 1.0 . 5.29 463 426 A 43 GLY H A 39 PHE HA 1.0 . 3.59 464 427 A 43 GLY H A 41 ILE HA 1.0 . 5.28 465 428 A 43 GLY H A 44 HIS H 1.0 . 4.69 466 429 A 38 PHE HE% A 43 GLY H 1.0 . 5.12 467 430 A 41 ILE H A 43 GLY H 1.0 . 3.96 468 431 A 43 GLY H A 42 GLY H 1.0 . 3.14 469 432 A 44 HIS H A 44 HIS HD2 1.0 . 4.77 470 433 A 39 PHE HE% A 44 HIS H 1.0 . 5.50 471 434 A 38 PHE HE% A 44 HIS H 1.0 . 3.57 472 435 A 44 HIS H A 47 LYS HA 1.0 . 4.76 473 436 A 44 HIS H A 43 GLY HAy 1.0 . 3.21 474 437 A 44 HIS H A 47 LYS HBy 1.0 . 3.79 475 438 A 44 HIS H A 47 LYS HBx 1.0 . 3.79 476 439 A 44 HIS H A 47 LYS HGy 1.0 . 4.27 477 440 A 44 HIS H A 47 LYS HGx 1.0 . 4.27 478 441 A 46 LEU H A 46 LEU HDx% 1.0 . 5.08 479 442 A 46 LEU H A 46 LEU HDy% 1.0 . 5.08 480 443 A 46 LEU H A 45 ALA HB% 1.0 . 3.68 481 444 A 46 LEU H A 46 LEU HBx 1.0 . 3.83 482 445 A 46 LEU H A 46 LEU HBy 1.0 . 3.83 483 446 A 47 LYS H A 48 ALA H 1.0 . 2.86 484 447 A 46 LEU H A 47 LYS H 1.0 . 3.12 485 448 A 47 LYS H A 44 HIS HE1 1.0 . 3.46 486 449 A 44 HIS HD2 A 47 LYS H 1.0 . 5.50 487 450 A 44 HIS H A 47 LYS H 1.0 . 3.75 488 451 A 47 LYS H A 44 HIS HBy 1.0 . 5.10 489 452 A 47 LYS H A 44 HIS HBx 1.0 . 5.10 490 453 A 47 LYS H A 47 LYS HEx 1.0 . 4.59 491 453 A 47 LYS H A 47 LYS HEy 1.0 . 4.59 492 454 A 43 GLY HAy A 47 LYS H 1.0 . 4.96 493 455 A 47 LYS H A 46 LEU HBy 1.0 . 3.49 494 456 A 47 LYS H A 46 LEU HBx 1.0 . 3.49 495 457 A 47 LYS H A 48 ALA HB% 1.0 . 4.53 496 458 A 47 LYS H A 47 LYS HGy 1.0 . 4.11 497 459 A 47 LYS H A 47 LYS HGx 1.0 . 4.11 498 460 A 48 ALA H A 48 ALA HB% 1.0 . 2.81 499 461 A 48 ALA H A 47 LYS HBx 1.0 . 3.97 500 462 A 48 ALA H A 47 LYS HBy 1.0 . 3.97 501 463 A 45 ALA HB% A 48 ALA H 1.0 . 4.75 502 464 A 48 ALA H A 49 MET HE% 1.0 . 5.50 503 465 A 43 GLY HAy A 48 ALA H 1.0 . 5.50 504 466 A 48 ALA H A 49 MET HGx 1.0 . 5.50 505 467 A 48 ALA H A 49 MET HGy 1.0 . 5.50 506 468 A 48 ALA H A 45 ALA HA 1.0 . 3.60 507 469 A 48 ALA H A 46 LEU HA 1.0 . 4.90 508 470 A 38 PHE HE% A 48 ALA H 1.0 . 3.64 509 471 A 44 HIS H A 48 ALA H 1.0 . 4.02 510 472 A 48 ALA H A 38 PHE HZ 1.0 . 3.88 511 473 A 48 ALA H A 49 MET H 1.0 . 3.08 512 474 A 47 LYS H A 49 MET H 1.0 . 4.23 513 475 A 38 PHE HE% A 49 MET H 1.0 . 5.25 514 476 A 46 LEU HA A 49 MET H 1.0 . 3.95 515 477 A 45 ALA HA A 49 MET H 1.0 . 4.60 516 478 A 49 MET H A 49 MET HGy 1.0 . 3.42 517 479 A 49 MET H A 49 MET HGx 1.0 . 3.42 518 480 A 49 MET HE% A 49 MET H 1.0 . 4.43 519 481 A 49 MET H A 50 ALA HB% 1.0 . 4.45 520 482 A 45 ALA HB% A 49 MET H 1.0 . 5.05 521 483 A 48 ALA HB% A 49 MET H 1.0 . 3.05 522 484 A 48 ALA HB% A 50 ALA H 1.0 . 4.72 523 485 A 50 ALA HB% A 50 ALA H 1.0 . 2.58 524 486 A 49 MET HE% A 50 ALA H 1.0 . 5.50 525 487 A 50 ALA H A 51 VAL HB 1.0 . 5.50 526 488 A 50 ALA H A 49 MET HGx 1.0 . 4.85 527 489 A 50 ALA H A 49 MET HGy 1.0 . 4.85 528 490 A 50 ALA H A 48 ALA HA 1.0 . 4.45 529 491 A 50 ALA H A 51 VAL HA 1.0 . 5.39 530 492 A 47 LYS HA A 50 ALA H 1.0 . 3.75 531 493 A 49 MET H A 50 ALA H 1.0 . 2.85 532 494 A 50 ALA H A 53 ALA H 1.0 . 4.95 533 495 A 50 ALA H A 52 ALA H 1.0 . 4.65 534 496 A 48 ALA H A 50 ALA H 1.0 . 4.26 535 497 A 48 ALA H A 51 VAL H 1.0 . 5.03 536 498 A 50 ALA H A 51 VAL H 1.0 . 2.95 537 499 A 38 PHE HZ A 51 VAL H 1.0 . 5.12 538 500 A 38 PHE HE% A 51 VAL H 1.0 . 5.39 539 501 A 47 LYS HA A 51 VAL H 1.0 . 4.86 540 502 A 51 VAL H A 49 MET HA 1.0 . 5.09 541 503 A 51 VAL H A 52 ALA HA 1.0 . 5.34 542 504 A 48 ALA HA A 51 VAL H 1.0 . 3.70 543 505 A 51 VAL HB A 51 VAL H 1.0 . 2.74 544 506 A 50 ALA HB% A 51 VAL H 1.0 . 3.08 545 507 A 48 ALA HB% A 51 VAL H 1.0 . 4.73 546 508 A 51 VAL H A 68 LEU HDx% 1.0 . 5.50 547 509 A 51 VAL H A 68 LEU HDy% 1.0 . 5.50 548 510 A 52 ALA H A 68 LEU HDy% 1.0 . 5.50 549 511 A 52 ALA H A 68 LEU HDx% 1.0 . 5.50 550 512 A 52 ALA H A 51 VAL HGy% 1.0 . 3.83 551 513 A 52 ALA H A 51 VAL HGx% 1.0 . 3.83 552 514 A 48 ALA HB% A 52 ALA H 1.0 . 4.92 553 515 A 52 ALA H A 52 ALA HB% 1.0 . 2.56 554 516 A 51 VAL HB A 52 ALA H 1.0 . 2.86 555 517 A 52 ALA H A 55 VAL HB 1.0 . 5.07 556 518 A 48 ALA HA A 52 ALA H 1.0 . 4.76 557 519 A 52 ALA H A 49 MET HA 1.0 . 3.70 558 520 A 52 ALA H A 50 ALA HA 1.0 . 5.32 559 521 A 52 ALA H A 53 ALA HA 1.0 . 5.50 560 522 A 52 ALA H A 51 VAL H 1.0 . 2.93 561 523 A 52 ALA H A 55 VAL H 1.0 . 4.96 562 524 A 53 ALA H A 52 ALA H 1.0 . 2.95 563 525 A 53 ALA H A 55 VAL H 1.0 . 4.04 564 526 A 53 ALA H A 54 GLN H 1.0 . 2.93 565 527 A 53 ALA H A 51 VAL H 1.0 . 3.89 566 528 A 53 ALA H A 53 ALA HA 1.0 . 2.87 567 529 A 53 ALA H A 49 MET HA 1.0 . 4.64 568 530 A 53 ALA H A 50 ALA HA 1.0 . 3.76 569 531 A 51 VAL HA A 53 ALA H 1.0 . 4.29 570 532 A 53 ALA H A 56 HIS HBx 1.0 . 5.50 571 533 A 53 ALA H A 54 GLN HGy 1.0 . 5.03 572 534 A 53 ALA H A 54 GLN HGx 1.0 . 5.03 573 535 A 51 VAL HB A 53 ALA H 1.0 . 4.91 574 536 A 53 ALA H A 55 VAL HB 1.0 . 5.50 575 537 A 53 ALA H A 53 ALA HB% 1.0 . 2.40 576 538 A 54 GLN H A 53 ALA HB% 1.0 . 2.86 577 539 A 54 GLN H A 57 ARG HGy 1.0 . 4.72 578 540 A 54 GLN H A 54 GLN HBy 1.0 . 2.84 579 541 A 54 GLN H A 54 GLN HBx 1.0 . 3.71 580 542 A 54 GLN H A 54 GLN HGy 1.0 . 3.25 581 543 A 54 GLN H A 54 GLN HGx 1.0 . 3.25 582 544 A 54 GLN H A 56 HIS HBx 1.0 . 5.50 583 545 A 54 GLN H A 57 ARG HDx 1.0 . 5.50 584 545 A 54 GLN H A 57 ARG HDy 1.0 . 5.50 585 546 A 51 VAL HA A 54 GLN H 1.0 . 3.80 586 547 A 54 GLN H A 55 VAL HA 1.0 . 5.15 587 548 A 52 ALA HA A 54 GLN H 1.0 . 4.66 588 549 A 52 ALA H A 54 GLN H 1.0 . 4.73 589 550 A 54 GLN H A 56 HIS H 1.0 . 4.26 590 551 A 55 VAL H A 54 GLN H 1.0 . 2.89 591 552 A 53 ALA HA A 55 VAL H 1.0 . 4.64 592 553 A 52 ALA HA A 55 VAL H 1.0 . 3.51 593 554 A 51 VAL HA A 55 VAL H 1.0 . 4.39 594 555 A 55 VAL H A 56 HIS HBx 1.0 . 4.97 595 556 A 55 VAL H A 54 GLN HGy 1.0 . 4.50 596 557 A 55 VAL H A 54 GLN HGx 1.0 . 4.50 597 558 A 55 VAL HB A 55 VAL H 1.0 . 2.69 598 559 A 55 VAL H A 54 GLN HBy 1.0 . 3.30 599 560 A 52 ALA HB% A 55 VAL H 1.0 . 4.90 600 561 A 55 VAL H A 53 ALA HB% 1.0 . 5.19 601 562 A 76 ALA HB% A 77 LEU H 1.0 . 2.76 602 563 A 77 LEU HDy% A 77 LEU H 1.0 . 3.51 603 564 A 56 HIS H A 61 VAL HGx% 1.0 . 5.32 604 564 A 56 HIS H A 61 VAL HGy% 1.0 . 5.32 605 565 A 56 HIS H A 55 VAL HGx% 1.0 . 4.62 606 566 A 56 HIS H A 55 VAL HGy% 1.0 . 4.62 607 567 A 52 ALA HB% A 56 HIS H 1.0 . 4.45 608 568 A 57 ARG HGy A 56 HIS H 1.0 . 4.55 609 569 A 56 HIS H A 57 ARG HBx 1.0 . 4.82 610 569 A 56 HIS H A 57 ARG HBy 1.0 . 4.82 611 570 A 54 GLN HBy A 56 HIS H 1.0 . 5.20 612 571 A 55 VAL HB A 56 HIS H 1.0 . 3.77 613 572 A 56 HIS H A 56 HIS HBy 1.0 . 2.80 614 573 A 56 HIS HBx A 56 HIS H 1.0 . 2.81 615 574 A 52 ALA HA A 56 HIS H 1.0 . 3.82 616 575 A 56 HIS H A 54 GLN HA 1.0 . 4.52 617 576 A 56 HIS H A 61 VAL H 1.0 . 5.20 618 577 A 55 VAL H A 56 HIS H 1.0 . 2.94 619 578 A 55 VAL H A 57 ARG H 1.0 . 4.40 620 579 A 56 HIS H A 57 ARG H 1.0 . 2.99 621 580 A 61 VAL H A 57 ARG H 1.0 . 5.19 622 581 A 57 ARG H A 56 HIS HA 1.0 . 3.55 623 582 A 54 GLN HA A 57 ARG H 1.0 . 3.51 624 583 A 55 VAL HA A 57 ARG H 1.0 . 4.75 625 584 A 56 HIS HBy A 57 ARG H 1.0 . 4.12 626 585 A 56 HIS HBx A 57 ARG H 1.0 . 3.00 627 586 A 54 GLN HBy A 57 ARG H 1.0 . 5.50 628 587 A 57 ARG H A 57 ARG HBx 1.0 . 2.54 629 587 A 57 ARG HBy A 57 ARG H 1.0 . 2.54 630 588 A 57 ARG HGy A 57 ARG H 1.0 . 3.41 631 589 A 57 ARG H A 57 ARG HGx 1.0 . 3.69 632 590 A 57 ARG H A 58 GLU HBy 1.0 . 4.62 633 591 A 57 ARG H A 61 VAL HGx% 1.0 . 5.50 634 591 A 61 VAL HGy% A 57 ARG H 1.0 . 5.50 635 592 A 55 VAL H A 58 GLU H 1.0 . 4.66 636 593 A 58 GLU H A 59 TYR H 1.0 . 2.92 637 594 A 61 VAL H A 58 GLU H 1.0 . 5.02 638 595 A 56 HIS HA A 58 GLU H 1.0 . 4.55 639 596 A 54 GLN HA A 58 GLU H 1.0 . 4.26 640 597 A 55 VAL HA A 58 GLU H 1.0 . 3.62 641 598 A 58 GLU H A 60 GLN HA 1.0 . 5.22 642 599 A 56 HIS HBx A 58 GLU H 1.0 . 5.16 643 600 A 58 GLU H A 57 ARG HDx 1.0 . 5.44 644 600 A 57 ARG HDy A 58 GLU H 1.0 . 5.44 645 601 A 58 GLU H A 59 TYR HBy 1.0 . 4.79 646 602 A 57 ARG HGy A 58 GLU H 1.0 . 2.82 647 603 A 57 ARG HGx A 58 GLU H 1.0 . 3.98 648 604 A 54 GLN HBy A 58 GLU H 1.0 . 5.50 649 605 A 54 GLN HBx A 58 GLU H 1.0 . 5.29 650 606 A 58 GLU HBy A 58 GLU H 1.0 . 3.00 651 607 A 58 GLU H A 55 VAL HGx% 1.0 . 5.50 652 608 A 58 GLU H A 55 VAL HGy% 1.0 . 5.50 653 609 A 58 GLU H A 61 VAL HGx% 1.0 . 5.37 654 609 A 61 VAL HGy% A 58 GLU H 1.0 . 5.37 655 610 A 59 TYR H A 81 VAL HGx% 1.0 . 4.86 656 611 A 59 TYR H A 61 VAL HGx% 1.0 . 4.07 657 611 A 61 VAL HGy% A 59 TYR H 1.0 . 4.07 658 612 A 58 GLU HBy A 59 TYR H 1.0 . 3.26 659 613 A 57 ARG HGx A 59 TYR H 1.0 . 5.36 660 614 A 59 TYR H A 58 GLU HBx 1.0 . 3.46 661 615 A 59 TYR H A 59 TYR HBy 1.0 . 3.06 662 616 A 59 TYR H A 60 GLN HA 1.0 . 4.83 663 617 A 59 TYR H A 59 TYR HBx 1.0 . 3.63 664 618 A 55 VAL HA A 59 TYR H 1.0 . 3.98 665 619 A 56 HIS HA A 59 TYR H 1.0 . 4.04 666 620 A 61 VAL H A 59 TYR H 1.0 . 3.86 667 621 A 55 VAL H A 59 TYR H 1.0 . 5.50 668 622 A 58 GLU H A 60 GLN H 1.0 . 3.94 669 623 A 60 GLN H A 59 TYR HD% 1.0 . 4.51 670 624 A 56 HIS HA A 60 GLN H 1.0 . 3.95 671 625 A 60 GLN H A 57 ARG HA 1.0 . 4.42 672 626 A 60 GLN H A 58 GLU HA 1.0 . 4.84 673 627 A 60 GLN HA A 60 GLN H 1.0 . 2.57 674 628 A 59 TYR HBx A 60 GLN H 1.0 . 4.35 675 629 A 59 TYR HBy A 60 GLN H 1.0 . 3.86 676 630 A 60 GLN H A 60 GLN HGy 1.0 . 3.44 677 631 A 60 GLN H A 60 GLN HGx 1.0 . 3.44 678 632 A 58 GLU HBx A 60 GLN H 1.0 . 5.33 679 633 A 57 ARG HGx A 60 GLN H 1.0 . 5.50 680 634 A 60 GLN H A 61 VAL HB 1.0 . 5.50 681 635 A 58 GLU HBy A 60 GLN H 1.0 . 4.65 682 636 A 60 GLN H A 61 VAL HGx% 1.0 . 4.29 683 636 A 61 VAL HGy% A 60 GLN H 1.0 . 4.29 684 637 A 61 VAL H A 81 VAL HGx% 1.0 . 4.95 685 638 A 61 VAL H A 61 VAL HGx% 1.0 . 2.95 686 638 A 61 VAL HGy% A 61 VAL H 1.0 . 2.95 687 639 A 61 VAL H A 61 VAL HB 1.0 . 3.48 688 640 A 61 VAL H A 62 GLU HBx 1.0 . 5.50 689 640 A 61 VAL H A 62 GLU HBy 1.0 . 5.50 690 641 A 61 VAL H A 60 GLN HBy 1.0 . 4.31 691 642 A 61 VAL H A 59 TYR HBy 1.0 . 3.50 692 643 A 61 VAL H A 60 GLN HA 1.0 . 2.97 693 644 A 61 VAL H A 59 TYR HBx 1.0 . 4.11 694 645 A 61 VAL H A 56 HIS HA 1.0 . 2.67 695 646 A 61 VAL H A 59 TYR HA 1.0 . 4.86 696 647 A 61 VAL H A 59 TYR HD% 1.0 . 5.09 697 648 A 61 VAL H A 60 GLN H 1.0 . 3.04 698 649 A 61 VAL H A 62 GLU H 1.0 . 4.28 699 650 A 62 GLU H A 61 VAL HA 1.0 . 2.55 700 651 A 62 GLU H A 62 GLU HBx 1.0 . 2.76 701 651 A 62 GLU HBy A 62 GLU H 1.0 . 2.76 702 652 A 61 VAL HB A 62 GLU H 1.0 . 4.65 703 653 A 65 LEU H A 65 LEU HG 1.0 . 4.95 704 654 A 62 GLU H A 61 VAL HGx% 1.0 . 3.12 705 654 A 61 VAL HGy% A 62 GLU H 1.0 . 3.12 706 655 A 63 LEU H A 63 LEU HDy% 1.0 . 4.70 707 656 A 63 LEU H A 63 LEU HDx% 1.0 . 4.70 708 657 A 63 LEU H A 61 VAL HGx% 1.0 . 4.90 709 657 A 61 VAL HGy% A 63 LEU H 1.0 . 4.90 710 658 A 63 LEU H A 63 LEU HBx 1.0 . 3.20 711 659 A 52 ALA HB% A 63 LEU H 1.0 . 3.74 712 660 A 63 LEU H A 63 LEU HG 1.0 . 4.95 713 661 A 63 LEU H A 62 GLU HBx 1.0 . 4.29 714 661 A 62 GLU HBy A 63 LEU H 1.0 . 4.29 715 662 A 63 LEU H A 62 GLU HGx 1.0 . 4.54 716 663 A 63 LEU H A 63 LEU HBy 1.0 . 3.20 717 664 A 63 LEU H A 62 GLU HGy 1.0 . 4.54 718 665 A 56 HIS HBy A 63 LEU H 1.0 . 4.40 719 666 A 63 LEU H A 64 PRO HDy 1.0 . 4.49 720 667 A 63 LEU H A 62 GLU HA 1.0 . 2.51 721 668 A 63 LEU H A 64 PRO HDx 1.0 . 4.22 722 669 A 52 ALA HA A 63 LEU H 1.0 . 4.76 723 670 A 65 LEU H A 64 PRO HA 1.0 . 2.73 724 671 A 65 LEU H A 66 LYS HA 1.0 . 5.36 725 672 A 65 LEU H A 64 PRO HBy 1.0 . 3.82 726 673 A 65 LEU H A 64 PRO HGx 1.0 . 4.69 727 673 A 65 LEU H A 64 PRO HGy 1.0 . 4.69 728 674 A 65 LEU H A 65 LEU HBy 1.0 . 2.87 729 675 A 65 LEU H A 65 LEU HBx 1.0 . 3.36 730 676 A 66 LYS H A 66 LYS HGx 1.0 . 3.01 731 676 A 66 LYS H A 66 LYS HGy 1.0 . 3.01 732 677 A 66 LYS H A 65 LEU HDx% 1.0 . 5.05 733 678 A 66 LYS H A 65 LEU HDy% 1.0 . 5.05 734 679 A 66 LYS H A 66 LYS HBy 1.0 . 3.59 735 680 A 66 LYS H A 66 LYS HBx 1.0 . 3.59 736 681 A 65 LEU HBy A 66 LYS H 1.0 . 3.83 737 682 A 66 LYS H A 66 LYS HDx 1.0 . 3.99 738 682 A 66 LYS H A 66 LYS HDy 1.0 . 3.99 739 683 A 66 LYS H A 64 PRO HGx 1.0 . 4.47 740 683 A 64 PRO HGy A 66 LYS H 1.0 . 4.47 741 684 A 64 PRO HBy A 66 LYS H 1.0 . 3.89 742 685 A 66 LYS H A 66 LYS HEx 1.0 . 4.78 743 685 A 66 LYS H A 66 LYS HEy 1.0 . 4.78 744 686 A 64 PRO HDy A 66 LYS H 1.0 . 5.50 745 687 A 64 PRO HA A 66 LYS H 1.0 . 4.14 746 688 A 66 LYS H A 67 VAL H 1.0 . 3.23 747 689 A 65 LEU H A 66 LYS H 1.0 . 3.25 748 690 A 67 VAL H A 67 VAL HGy% 1.0 . 3.97 749 691 A 67 VAL H A 67 VAL HGx% 1.0 . 3.97 750 692 A 77 LEU HDy% A 67 VAL H 1.0 . 5.50 751 693 A 67 VAL H A 66 LYS HGx 1.0 . 4.05 752 693 A 66 LYS HGy A 67 VAL H 1.0 . 4.05 753 694 A 67 VAL H A 67 VAL HB 1.0 . 2.72 754 695 A 67 VAL H A 64 PRO HGx 1.0 . 3.82 755 695 A 64 PRO HGy A 67 VAL H 1.0 . 3.82 756 696 A 64 PRO HBy A 67 VAL H 1.0 . 3.87 757 697 A 67 VAL H A 66 LYS HEx 1.0 . 5.50 758 697 A 66 LYS HEy A 67 VAL H 1.0 . 5.50 759 698 A 67 VAL H A 69 PHE HBx 1.0 . 5.50 760 699 A 64 PRO HDy A 67 VAL H 1.0 . 4.64 761 700 A 67 VAL H A 65 LEU HA 1.0 . 4.04 762 701 A 67 VAL H A 68 LEU HA 1.0 . 5.15 763 702 A 64 PRO HA A 67 VAL H 1.0 . 5.11 764 703 A 65 LEU H A 67 VAL H 1.0 . 4.64 765 704 A 65 LEU H A 68 LEU H 1.0 . 4.90 766 705 A 66 LYS H A 68 LEU H 1.0 . 4.41 767 706 A 67 VAL H A 68 LEU H 1.0 . 2.73 768 707 A 68 LEU H A 69 PHE HA 1.0 . 5.46 769 708 A 66 LYS HA A 68 LEU H 1.0 . 4.94 770 709 A 65 LEU HA A 68 LEU H 1.0 . 3.49 771 710 A 64 PRO HDy A 68 LEU H 1.0 . 5.50 772 711 A 69 PHE HBx A 68 LEU H 1.0 . 4.97 773 712 A 68 LEU H A 64 PRO HGx 1.0 . 4.86 774 712 A 64 PRO HGy A 68 LEU H 1.0 . 4.86 775 713 A 67 VAL HB A 68 LEU H 1.0 . 2.96 776 714 A 68 LEU H A 68 LEU HBy 1.0 . 3.24 777 715 A 68 LEU H A 68 LEU HBx 1.0 . 3.24 778 716 A 68 LEU H A 63 LEU HDx% 1.0 . 4.54 779 717 A 68 LEU H A 67 VAL HGx% 1.0 . 4.70 780 718 A 68 LEU H A 63 LEU HDy% 1.0 . 4.54 781 719 A 77 LEU HDy% A 68 LEU H 1.0 . 4.28 782 720 A 68 LEU H A 68 LEU HDx% 1.0 . 4.36 783 721 A 68 LEU H A 68 LEU HDy% 1.0 . 4.36 784 722 A 68 LEU H A 67 VAL HGy% 1.0 . 4.70 785 723 A 69 PHE H A 67 VAL HGy% 1.0 . 5.50 786 724 A 69 PHE H A 68 LEU HDy% 1.0 . 4.67 787 725 A 69 PHE H A 68 LEU HDx% 1.0 . 4.67 788 726 A 69 PHE H A 67 VAL HGx% 1.0 . 5.50 789 727 A 69 PHE H A 68 LEU HBx 1.0 . 3.49 790 728 A 69 PHE H A 68 LEU HBy 1.0 . 3.49 791 729 A 69 PHE H A 70 ALA HB% 1.0 . 4.23 792 730 A 65 LEU HG A 69 PHE H 1.0 . 5.37 793 731 A 69 PHE HBx A 69 PHE H 1.0 . 2.83 794 732 A 69 PHE H A 67 VAL HA 1.0 . 4.82 795 733 A 65 LEU HA A 69 PHE H 1.0 . 4.19 796 734 A 66 LYS HA A 69 PHE H 1.0 . 4.23 797 735 A 69 PHE H A 39 PHE HZ 1.0 . 5.15 798 736 A 68 LEU H A 69 PHE H 1.0 . 2.97 799 737 A 67 VAL H A 69 PHE H 1.0 . 4.19 800 738 A 69 PHE H A 69 PHE HD% 1.0 . 3.47 801 739 A 69 PHE H A 70 ALA H 1.0 . 2.97 802 740 A 67 VAL H A 70 ALA H 1.0 . 4.75 803 741 A 70 ALA H A 69 PHE HE% 1.0 . 4.68 804 742 A 69 PHE HD% A 70 ALA H 1.0 . 4.31 805 743 A 68 LEU H A 70 ALA H 1.0 . 4.00 806 744 A 70 ALA H A 70 ALA HA 1.0 . 2.94 807 745 A 66 LYS HA A 70 ALA H 1.0 . 4.29 808 746 A 68 LEU HA A 70 ALA H 1.0 . 4.75 809 747 A 67 VAL HA A 70 ALA H 1.0 . 3.38 810 748 A 70 ALA H A 72 PRO HDx 1.0 . 4.69 811 749 A 69 PHE HBx A 70 ALA H 1.0 . 3.69 812 750 A 70 ALA HB% A 70 ALA H 1.0 . 2.52 813 751 A 70 ALA H A 66 LYS HGx 1.0 . 5.50 814 751 A 66 LYS HGy A 70 ALA H 1.0 . 5.50 815 752 A 70 ALA H A 67 VAL HGx% 1.0 . 5.31 816 753 A 70 ALA H A 67 VAL HGy% 1.0 . 5.31 817 754 A 71 GLN H A 67 VAL HGy% 1.0 . 5.50 818 755 A 71 GLN H A 68 LEU HDy% 1.0 . 5.50 819 756 A 71 GLN H A 68 LEU HDx% 1.0 . 5.50 820 757 A 71 GLN H A 67 VAL HGx% 1.0 . 5.50 821 758 A 70 ALA HB% A 71 GLN H 1.0 . 2.97 822 759 A 71 GLN H A 71 GLN HGy 1.0 . 3.73 823 760 A 71 GLN H A 71 GLN HGx 1.0 . 3.73 824 761 A 71 GLN H A 72 PRO HBx 1.0 . 5.22 825 762 A 69 PHE HBx A 71 GLN H 1.0 . 5.50 826 763 A 67 VAL HA A 71 GLN H 1.0 . 4.05 827 764 A 71 GLN H A 72 PRO HDy 1.0 . 4.36 828 765 A 72 PRO HDx A 71 GLN H 1.0 . 3.49 829 766 A 68 LEU HA A 71 GLN H 1.0 . 3.96 830 767 A 70 ALA HA A 71 GLN H 1.0 . 3.54 831 768 A 71 GLN H A 72 PRO HA 1.0 . 4.38 832 769 A 68 LEU H A 71 GLN H 1.0 . 4.77 833 770 A 69 PHE HD% A 71 GLN H 1.0 . 5.23 834 771 A 70 ALA H A 71 GLN H 1.0 . 2.80 835 772 A 69 PHE H A 71 GLN H 1.0 . 4.14 836 773 A 74 ILE H A 73 THR H 1.0 . 4.61 837 774 A 75 LYS H A 73 THR H 1.0 . 5.48 838 775 A 77 LEU H A 73 THR H 1.0 . 4.02 839 776 A 73 THR H A 76 ALA H 1.0 . 4.08 840 777 A 23 TRP HH2 A 73 THR H 1.0 . 4.51 841 778 A 73 THR H A 73 THR HG1 1.0 . 4.45 842 779 A 72 PRO HA A 73 THR H 1.0 . 3.21 843 780 A 73 THR H A 76 ALA HA 1.0 . 5.50 844 781 A 72 PRO HDy A 73 THR H 1.0 . 4.68 845 782 A 73 THR H A 74 ILE HA 1.0 . 5.27 846 783 A 73 THR H A 77 LEU HG 1.0 . 4.09 847 784 A 38 PHE HBx A 73 THR H 1.0 . 5.50 848 785 A 76 ALA HB% A 73 THR H 1.0 . 3.18 849 786 A 73 THR HG2% A 73 THR H 1.0 . 3.79 850 787 A 77 LEU HDy% A 73 THR H 1.0 . 4.57 851 788 A 74 ILE HG1x A 74 ILE H 1.0 . 3.88 852 789 A 74 ILE HD1% A 74 ILE H 1.0 . 3.77 853 790 A 74 ILE HG1y A 74 ILE H 1.0 . 3.44 854 791 A 74 ILE HG2% A 74 ILE H 1.0 . 3.87 855 792 A 77 LEU HDy% A 74 ILE H 1.0 . 5.50 856 793 A 74 ILE HB A 74 ILE H 1.0 . 3.20 857 794 A 73 THR HG2% A 74 ILE H 1.0 . 3.79 858 795 A 74 ILE H A 76 ALA HB% 1.0 . 5.03 859 796 A 74 ILE H A 75 LYS HBx 1.0 . 4.96 860 797 A 74 ILE H A 77 LEU HBy 1.0 . 5.50 861 798 A 74 ILE H A 34 ILE HA 1.0 . 3.84 862 799 A 74 ILE H A 73 THR HB 1.0 . 3.64 863 800 A 74 ILE H A 73 THR HA 1.0 . 3.15 864 801 A 74 ILE H A 23 TRP HZ2 1.0 . 5.15 865 802 A 74 ILE H A 23 TRP HZ3 1.0 . 4.84 866 803 A 75 LYS H A 74 ILE H 1.0 . 3.33 867 804 A 75 LYS H A 78 ALA H 1.0 . 4.86 868 805 A 75 LYS H A 77 LEU H 1.0 . 4.62 869 806 A 75 LYS H A 34 ILE H 1.0 . 5.50 870 807 A 75 LYS H A 73 THR HG1 1.0 . 5.04 871 808 A 75 LYS H A 73 THR HA 1.0 . 4.22 872 809 A 75 LYS H A 73 THR HB 1.0 . 3.32 873 810 A 75 LYS H A 34 ILE HA 1.0 . 3.58 874 811 A 75 LYS H A 75 LYS HBx 1.0 . 2.74 875 812 A 75 LYS H A 75 LYS HBy 1.0 . 2.82 876 813 A 78 ALA HB% A 75 LYS H 1.0 . 5.17 877 814 A 75 LYS H A 74 ILE HB 1.0 . 3.26 878 815 A 74 ILE HG2% A 75 LYS H 1.0 . 3.54 879 816 A 74 ILE HD1% A 75 LYS H 1.0 . 4.72 880 817 A 74 ILE HG1y A 75 LYS H 1.0 . 4.79 881 818 A 74 ILE HG1x A 75 LYS H 1.0 . 5.08 882 819 A 74 ILE HG2% A 76 ALA H 1.0 . 4.97 883 820 A 73 THR HG2% A 76 ALA H 1.0 . 4.50 884 821 A 76 ALA H A 75 LYS HGx 1.0 . 4.32 885 822 A 76 ALA H A 75 LYS HGy 1.0 . 4.32 886 823 A 76 ALA HB% A 76 ALA H 1.0 . 2.51 887 824 A 76 ALA H A 75 LYS HBx 1.0 . 3.15 888 825 A 76 ALA H A 77 LEU HBy 1.0 . 5.50 889 826 A 76 ALA H A 77 LEU HG 1.0 . 4.58 890 827 A 76 ALA H A 75 LYS HEx 1.0 . 5.50 891 827 A 76 ALA H A 75 LYS HEy 1.0 . 5.50 892 828 A 76 ALA H A 74 ILE HA 1.0 . 4.46 893 829 A 76 ALA H A 77 LEU HA 1.0 . 5.43 894 830 A 76 ALA H A 73 THR HB 1.0 . 3.91 895 831 A 73 THR HA A 76 ALA H 1.0 . 5.03 896 832 A 76 ALA H A 73 THR HG1 1.0 . 3.74 897 833 A 77 LEU H A 76 ALA H 1.0 . 2.90 898 834 A 75 LYS H A 76 ALA H 1.0 . 3.19 899 835 A 74 ILE H A 76 ALA H 1.0 . 4.64 900 836 A 74 ILE H A 77 LEU H 1.0 . 4.92 901 837 A 77 LEU H A 79 GLN H 1.0 . 4.47 902 838 A 77 LEU H A 73 THR HG1 1.0 . 5.12 903 839 A 77 LEU H A 73 THR HB 1.0 . 5.21 904 840 A 77 LEU H A 75 LYS HA 1.0 . 4.87 905 841 A 77 LEU H A 80 TYR HBy 1.0 . 5.50 906 842 A 77 LEU H A 74 ILE HA 1.0 . 3.55 907 843 A 77 LEU H A 77 LEU HG 1.0 . 3.17 908 844 A 77 LEU H A 77 LEU HBy 1.0 . 2.84 909 845 A 77 LEU H A 77 LEU HDx% 1.0 . 3.97 910 846 A 77 LEU HDy% A 78 ALA H 1.0 . 4.37 911 847 A 78 ALA HB% A 78 ALA H 1.0 . 2.58 912 848 A 77 LEU HBy A 78 ALA H 1.0 . 3.32 913 849 A 78 ALA H A 79 GLN HBx 1.0 . 5.14 914 849 A 78 ALA H A 79 GLN HBy 1.0 . 5.14 915 850 A 77 LEU HG A 78 ALA H 1.0 . 4.15 916 851 A 16 GLU HGy A 78 ALA H 1.0 . 5.36 917 852 A 74 ILE HA A 78 ALA H 1.0 . 3.67 918 853 A 16 GLU HA A 78 ALA H 1.0 . 5.18 919 854 A 76 ALA HA A 78 ALA H 1.0 . 4.62 920 855 A 76 ALA H A 78 ALA H 1.0 . 4.12 921 856 A 78 ALA H A 81 VAL H 1.0 . 4.71 922 857 A 77 LEU H A 78 ALA H 1.0 . 2.99 923 858 A 78 ALA H A 79 GLN H 1.0 . 2.97 924 859 A 79 GLN H A 81 VAL H 1.0 . 4.40 925 860 A 76 ALA HA A 79 GLN H 1.0 . 3.93 926 861 A 79 GLN H A 80 TYR HBy 1.0 . 5.24 927 862 A 79 GLN H A 80 TYR HBx 1.0 . 4.73 928 863 A 79 GLN H A 79 GLN HGy 1.0 . 3.71 929 864 A 79 GLN H A 79 GLN HGx 1.0 . 3.71 930 865 A 79 GLN H A 79 GLN HBx 1.0 . 2.60 931 865 A 79 GLN H A 79 GLN HBy 1.0 . 2.60 932 866 A 77 LEU HBy A 79 GLN H 1.0 . 5.42 933 867 A 79 GLN H A 81 VAL HB 1.0 . 5.50 934 868 A 78 ALA HB% A 79 GLN H 1.0 . 2.95 935 869 A 76 ALA HB% A 79 GLN H 1.0 . 4.97 936 870 A 77 LEU HDy% A 80 TYR H 1.0 . 5.23 937 871 A 80 TYR H A 81 VAL HGy% 1.0 . 5.49 938 872 A 80 TYR H A 83 THR HG2% 1.0 . 4.86 939 873 A 78 ALA HB% A 80 TYR H 1.0 . 4.79 940 874 A 80 TYR H A 82 ALA HB% 1.0 . 5.23 941 875 A 76 ALA HB% A 80 TYR H 1.0 . 4.65 942 876 A 81 VAL HB A 80 TYR H 1.0 . 4.78 943 877 A 77 LEU HBy A 80 TYR H 1.0 . 5.50 944 878 A 80 TYR H A 79 GLN HBx 1.0 . 3.51 945 878 A 79 GLN HBy A 80 TYR H 1.0 . 3.51 946 879 A 80 TYR H A 79 GLN HGx 1.0 . 5.04 947 880 A 80 TYR H A 79 GLN HGy 1.0 . 5.04 948 881 A 80 TYR HBx A 80 TYR H 1.0 . 2.77 949 882 A 80 TYR HBy A 80 TYR H 1.0 . 2.95 950 883 A 80 TYR H A 78 ALA HA 1.0 . 4.76 951 884 A 77 LEU HA A 80 TYR H 1.0 . 3.99 952 885 A 76 ALA HA A 80 TYR H 1.0 . 4.08 953 886 A 80 TYR H A 80 TYR HD% 1.0 . 4.27 954 887 A 79 GLN H A 80 TYR H 1.0 . 2.83 955 888 A 81 VAL H A 80 TYR H 1.0 . 2.96 956 889 A 80 TYR H A 82 ALA H 1.0 . 4.06 957 890 A 77 LEU H A 80 TYR H 1.0 . 4.87 958 891 A 78 ALA H A 80 TYR H 1.0 . 4.13 959 892 A 77 LEU H A 81 VAL H 1.0 . 5.50 960 893 A 81 VAL H A 84 ARG H 1.0 . 5.04 961 894 A 81 VAL H A 80 TYR HE% 1.0 . 5.38 962 895 A 77 LEU HA A 81 VAL H 1.0 . 3.80 963 896 A 81 VAL H A 78 ALA HA 1.0 . 3.92 964 897 A 81 VAL H A 80 TYR HBx 1.0 . 3.41 965 898 A 81 VAL H A 79 GLN HBx 1.0 . 5.50 966 898 A 79 GLN HBy A 81 VAL H 1.0 . 5.50 967 899 A 77 LEU HBy A 81 VAL H 1.0 . 5.50 968 900 A 81 VAL H A 81 VAL HB 1.0 . 2.73 969 901 A 81 VAL H A 82 ALA HB% 1.0 . 4.23 970 902 A 81 VAL H A 83 THR HG2% 1.0 . 4.78 971 903 A 81 VAL H A 81 VAL HGy% 1.0 . 2.71 972 904 A 81 VAL HGx% A 81 VAL H 1.0 . 3.89 973 905 A 81 VAL HGx% A 82 ALA H 1.0 . 3.65 974 906 A 81 VAL HGy% A 82 ALA H 1.0 . 4.13 975 907 A 83 THR HG2% A 82 ALA H 1.0 . 4.43 976 908 A 82 ALA HB% A 82 ALA H 1.0 . 2.52 977 909 A 81 VAL HB A 82 ALA H 1.0 . 2.94 978 910 A 82 ALA H A 79 GLN HBx 1.0 . 5.21 979 910 A 79 GLN HBy A 82 ALA H 1.0 . 5.21 980 911 A 80 TYR HBx A 82 ALA H 1.0 . 5.11 981 912 A 82 ALA H A 79 GLN HA 1.0 . 3.65 982 913 A 82 ALA H A 82 ALA HA 1.0 . 2.94 983 914 A 78 ALA HA A 82 ALA H 1.0 . 4.04 984 915 A 82 ALA H A 83 THR HB 1.0 . 5.30 985 916 A 80 TYR HD% A 82 ALA H 1.0 . 5.13 986 917 A 79 GLN H A 82 ALA H 1.0 . 4.63 987 918 A 82 ALA H A 84 ARG H 1.0 . 4.21 988 919 A 82 ALA H A 83 THR H 1.0 . 3.03 989 920 A 81 VAL H A 82 ALA H 1.0 . 2.90 990 921 A 81 VAL H A 83 THR H 1.0 . 4.49 991 922 A 83 THR HB A 83 THR H 1.0 . 2.99 992 923 A 83 THR H A 81 VAL HA 1.0 . 4.90 993 924 A 83 THR H A 79 GLN HBx 1.0 . 4.91 994 924 A 79 GLN HBy A 83 THR H 1.0 . 4.91 995 925 A 81 VAL HB A 83 THR H 1.0 . 5.50 996 926 A 82 ALA HB% A 83 THR H 1.0 . 2.93 997 927 A 83 THR HG2% A 83 THR H 1.0 . 3.13 998 928 A 81 VAL HGx% A 83 THR H 1.0 . 5.29 999 929 A 81 VAL HGx% A 84 ARG H 1.0 . 4.78 1000 930 A 84 ARG H A 61 VAL HGx% 1.0 . 4.71 1001 930 A 61 VAL HGy% A 84 ARG H 1.0 . 4.71 1002 931 A 83 THR HG2% A 84 ARG H 1.0 . 3.76 1003 932 A 84 ARG H A 84 ARG HGx 1.0 . 3.15 1004 932 A 84 ARG H A 84 ARG HGy 1.0 . 3.15 1005 933 A 81 VAL HB A 84 ARG H 1.0 . 5.50 1006 934 A 84 ARG H A 84 ARG HDx 1.0 . 4.75 1007 935 A 84 ARG H A 84 ARG HDy 1.0 . 4.75 1008 936 A 84 ARG H A 81 VAL HA 1.0 . 3.78 1009 937 A 84 ARG H A 82 ALA HA 1.0 . 4.23 1010 938 A 84 ARG H A 83 THR HA 1.0 . 3.51 1011 939 A 84 ARG H A 85 SER HA 1.0 . 5.04 1012 940 A 80 TYR HD% A 84 ARG H 1.0 . 5.50 1013 941 A 84 ARG H A 83 THR H 1.0 . 2.89 1014 942 A 84 ARG H A 85 SER H 1.0 . 2.90 1015 943 A 83 THR H A 85 SER H 1.0 . 4.16 1016 944 A 82 ALA H A 85 SER H 1.0 . 4.81 1017 945 A 85 SER H A 86 HIS HA 1.0 . 5.39 1018 946 A 83 THR HA A 85 SER H 1.0 . 4.74 1019 947 A 82 ALA HA A 85 SER H 1.0 . 3.90 1020 948 A 81 VAL HA A 85 SER H 1.0 . 4.68 1021 949 A 85 SER H A 84 ARG HDy 1.0 . 5.50 1022 950 A 85 SER H A 84 ARG HDx 1.0 . 5.50 1023 951 A 85 SER H A 84 ARG HBy 1.0 . 4.46 1024 952 A 85 SER H A 84 ARG HBx 1.0 . 4.46 1025 953 A 85 SER H A 84 ARG HGx 1.0 . 4.80 1026 953 A 84 ARG HGy A 85 SER H 1.0 . 4.80 1027 954 A 83 THR HG2% A 85 SER H 1.0 . 4.86 1028 955 A 85 SER H A 61 VAL HGx% 1.0 . 4.19 1029 955 A 61 VAL HGy% A 85 SER H 1.0 . 4.19 1030 956 A 81 VAL HGx% A 85 SER H 1.0 . 4.69 1031 957 A 86 HIS HA A 87 HIS H 1.0 . 3.54 1032 958 A 34 ILE H A 35 LEU HDx% 1.0 . 2.95 1033 959 A 35 LEU HDy% A 34 ILE H 1.0 . 3.66 1034 960 A 34 ILE H A 9 VAL HGx% 1.0 . 5.50 1035 960 A 9 VAL HGy% A 34 ILE H 1.0 . 5.50 1036 961 A 34 ILE HD1% A 34 ILE H 1.0 . 5.50 1037 962 A 8 TYR HD% A 33 GLY H 1.0 . 3.67 1038 963 A 8 TYR HD% A 8 TYR HA 1.0 . 3.04 1039 964 A 8 TYR HD% A 10 ALA HA 1.0 . 4.47 1040 965 A 8 TYR HD% A 32 ILE HA 1.0 . 4.65 1041 966 A 8 TYR HD% A 9 VAL HA 1.0 . 4.14 1042 967 A 8 TYR HD% A 10 ALA HB% 1.0 . 4.89 1043 968 A 8 TYR HD% A 9 VAL HGx% 1.0 . 4.38 1044 968 A 9 VAL HGy% A 8 TYR HD% 1.0 . 4.38 1045 969 A 33 GLY H A 8 TYR HE% 1.0 . 3.92 1046 970 A 10 ALA H A 8 TYR HE% 1.0 . 3.71 1047 971 A 8 TYR HE% A 33 GLY HAy 1.0 . 3.80 1048 972 A 8 TYR HE% A 10 ALA HA 1.0 . 3.49 1049 973 A 31 GLY HAx A 8 TYR HE% 1.0 . 4.41 1050 974 A 8 TYR HE% A 32 ILE HA 1.0 . 4.80 1051 975 A 31 GLY HAy A 8 TYR HE% 1.0 . 3.93 1052 976 A 8 TYR HE% A 33 GLY HAx 1.0 . 3.80 1053 977 A 59 TYR HE% A 55 VAL HA 1.0 . 3.97 1054 978 A 10 ALA HB% A 8 TYR HE% 1.0 . 3.37 1055 979 A 22 ILE H A 23 TRP HD1 1.0 . 4.79 1056 980 A 23 TRP HD1 A 23 TRP HA 1.0 . 3.52 1057 981 A 19 LEU HA A 23 TRP HD1 1.0 . 4.81 1058 982 A 20 ALA HA A 23 TRP HD1 1.0 . 5.42 1059 983 A 23 TRP HD1 A 22 ILE HA 1.0 . 5.50 1060 984 A 22 ILE HB A 23 TRP HD1 1.0 . 3.82 1061 985 A 23 TRP HD1 A 22 ILE HG2% 1.0 . 3.32 1062 986 A 23 TRP HD1 A 51 VAL HGy% 1.0 . 4.03 1063 987 A 23 TRP HD1 A 51 VAL HGx% 1.0 . 4.03 1064 988 A 74 ILE HG1y A 23 TRP HE3 1.0 . 4.47 1065 989 A 74 ILE HD1% A 23 TRP HE3 1.0 . 3.84 1066 990 A 23 TRP HE3 A 41 ILE HD1% 1.0 . 3.21 1067 991 A 23 TRP HE3 A 32 ILE HD1% 1.0 . 3.21 1068 992 A 23 TRP HE3 A 32 ILE HG2% 1.0 . 3.10 1069 993 A 23 TRP HE3 A 23 TRP HBx 1.0 . 3.23 1070 994 A 23 TRP HE3 A 23 TRP HA 1.0 . 5.00 1071 995 A 23 TRP HE3 A 38 PHE HD% 1.0 . 4.37 1072 996 A 74 ILE HG1y A 23 TRP HH2 1.0 . 4.74 1073 997 A 74 ILE HD1% A 23 TRP HH2 1.0 . 4.65 1074 998 A 41 ILE HD1% A 23 TRP HH2 1.0 . 4.44 1075 999 A 23 TRP HH2 A 77 LEU HDx% 1.0 . 4.83 1076 1000 A 73 THR HG2% A 23 TRP HH2 1.0 . 4.29 1077 1001 A 23 TRP HH2 A 38 PHE HBx 1.0 . 4.21 1078 1002 A 23 TRP HH2 A 38 PHE HBy 1.0 . 3.58 1079 1003 A 23 TRP HH2 A 38 PHE HA 1.0 . 4.31 1080 1004 A 23 TRP HH2 A 38 PHE HD% 1.0 . 4.20 1081 1005 A 23 TRP HH2 A 37 ASN HA 1.0 . 4.61 1082 1006 A 23 TRP HH2 A 72 PRO HA 1.0 . 4.82 1083 1007 A 73 THR HA A 23 TRP HH2 1.0 . 3.28 1084 1008 A 74 ILE H A 23 TRP HH2 1.0 . 4.20 1085 1009 A 38 PHE H A 23 TRP HZ2 1.0 . 5.08 1086 1010 A 77 LEU H A 23 TRP HZ2 1.0 . 4.96 1087 1011 A 73 THR H A 23 TRP HZ2 1.0 . 4.76 1088 1012 A 73 THR HA A 23 TRP HZ2 1.0 . 4.28 1089 1013 A 72 PRO HA A 23 TRP HZ2 1.0 . 4.50 1090 1014 A 38 PHE HD% A 23 TRP HZ2 1.0 . 4.31 1091 1015 A 74 ILE HA A 23 TRP HZ2 1.0 . 4.29 1092 1016 A 38 PHE HBy A 23 TRP HZ2 1.0 . 4.03 1093 1017 A 77 LEU HG A 23 TRP HZ2 1.0 . 4.59 1094 1018 A 77 LEU HBy A 23 TRP HZ2 1.0 . 4.47 1095 1019 A 38 PHE HBx A 23 TRP HZ2 1.0 . 5.18 1096 1020 A 23 TRP HZ2 A 77 LEU HBx 1.0 . 5.18 1097 1021 A 23 TRP HZ2 A 77 LEU HDx% 1.0 . 3.16 1098 1022 A 77 LEU HDy% A 23 TRP HZ2 1.0 . 3.67 1099 1023 A 23 TRP HZ2 A 68 LEU HDx% 1.0 . 4.43 1100 1024 A 23 TRP HZ2 A 68 LEU HDy% 1.0 . 4.43 1101 1025 A 74 ILE HG1y A 23 TRP HZ2 1.0 . 4.92 1102 1026 A 74 ILE HD1% A 23 TRP HZ2 1.0 . 4.69 1103 1027 A 74 ILE HD1% A 23 TRP HZ3 1.0 . 4.52 1104 1028 A 41 ILE HD1% A 23 TRP HZ3 1.0 . 3.49 1105 1029 A 32 ILE HG2% A 23 TRP HZ3 1.0 . 3.92 1106 1030 A 32 ILE HD1% A 23 TRP HZ3 1.0 . 4.17 1107 1031 A 41 ILE HG1x A 23 TRP HZ3 1.0 . 4.62 1108 1032 A 38 PHE HBy A 23 TRP HZ3 1.0 . 4.01 1109 1033 A 38 PHE HA A 23 TRP HZ3 1.0 . 3.68 1110 1034 A 38 PHE HD% A 23 TRP HZ3 1.0 . 4.43 1111 1035 A 73 THR HA A 23 TRP HZ3 1.0 . 4.27 1112 1036 A 38 PHE H A 23 TRP HZ3 1.0 . 4.12 1113 1037 A 38 PHE HD% A 39 PHE H 1.0 . 4.21 1114 1038 A 38 PHE HD% A 39 PHE HE% 1.0 . 4.09 1115 1039 A 39 PHE HD% A 38 PHE HD% 1.0 . 4.09 1116 1040 A 38 PHE HD% A 38 PHE HZ 1.0 . 3.83 1117 1041 A 38 PHE HD% A 39 PHE HA 1.0 . 4.12 1118 1042 A 38 PHE HD% A 38 PHE HA 1.0 . 3.37 1119 1043 A 38 PHE HD% A 72 PRO HBx 1.0 . 4.07 1120 1044 A 38 PHE HD% A 43 GLY HAx 1.0 . 4.06 1121 1045 A 38 PHE HD% A 48 ALA HB% 1.0 . 4.04 1122 1046 A 41 ILE HD1% A 38 PHE HD% 1.0 . 4.23 1123 1047 A 38 PHE HE% A 27 LEU HDy% 1.0 . 3.68 1124 1048 A 38 PHE HE% A 27 LEU HDx% 1.0 . 3.68 1125 1049 A 38 PHE HE% A 26 VAL HGx% 1.0 . 4.41 1126 1050 A 38 PHE HE% A 26 VAL HGy% 1.0 . 4.41 1127 1051 A 38 PHE HE% A 47 LYS HBx 1.0 . 4.12 1128 1052 A 38 PHE HE% A 48 ALA HB% 1.0 . 3.20 1129 1053 A 38 PHE HE% A 47 LYS HBy 1.0 . 4.12 1130 1054 A 38 PHE HE% A 43 GLY HAx 1.0 . 3.98 1131 1055 A 26 VAL HB A 38 PHE HE% 1.0 . 4.81 1132 1056 A 38 PHE HE% A 43 GLY HAy 1.0 . 4.66 1133 1057 A 38 PHE HE% A 48 ALA HA 1.0 . 3.64 1134 1058 A 38 PHE HE% A 38 PHE HA 1.0 . 4.70 1135 1059 A 23 TRP HA A 38 PHE HE% 1.0 . 4.24 1136 1060 A 38 PHE HE% A 44 HIS HA 1.0 . 4.29 1137 1061 A 38 PHE HE% A 39 PHE HE% 1.0 . 4.28 1138 1062 A 38 PHE HE% A 39 PHE HD% 1.0 . 4.54 1139 1063 A 38 PHE HE% A 47 LYS H 1.0 . 4.52 1140 1064 A 47 LYS HA A 38 PHE HZ 1.0 . 4.31 1141 1065 A 38 PHE HZ A 48 ALA HA 1.0 . 3.62 1142 1066 A 43 GLY HAy A 38 PHE HZ 1.0 . 4.71 1143 1067 A 38 PHE HZ A 47 LYS HBy 1.0 . 3.89 1144 1068 A 48 ALA HB% A 38 PHE HZ 1.0 . 4.02 1145 1069 A 38 PHE HZ A 47 LYS HBx 1.0 . 3.89 1146 1070 A 38 PHE HZ A 27 LEU HDx% 1.0 . 4.78 1147 1071 A 38 PHE HZ A 27 LEU HDy% 1.0 . 4.78 1148 1072 A 39 PHE HD% A 72 PRO HBy 1.0 . 3.75 1149 1073 A 39 PHE HD% A 72 PRO HGy 1.0 . 4.21 1150 1074 A 39 PHE HD% A 72 PRO HGx 1.0 . 4.21 1151 1075 A 39 PHE HD% A 38 PHE HBx 1.0 . 4.29 1152 1076 A 39 PHE HD% A 48 ALA HB% 1.0 . 5.17 1153 1077 A 39 PHE HD% A 72 PRO HBx 1.0 . 3.65 1154 1078 A 39 PHE HD% A 72 PRO HDy 1.0 . 5.50 1155 1079 A 39 PHE HD% A 39 PHE HA 1.0 . 3.26 1156 1080 A 39 PHE HD% A 69 PHE HA 1.0 . 4.38 1157 1081 A 39 PHE HD% A 44 HIS HA 1.0 . 3.41 1158 1082 A 39 PHE HD% A 40 GLN H 1.0 . 4.45 1159 1083 A 39 PHE HE% A 69 PHE H 1.0 . 4.74 1160 1084 A 39 PHE HE% A 71 GLN H 1.0 . 5.50 1161 1085 A 39 PHE HE% A 44 HIS HA 1.0 . 3.81 1162 1086 A 39 PHE HE% A 69 PHE HA 1.0 . 3.39 1163 1087 A 39 PHE HE% A 39 PHE HA 1.0 . 4.62 1164 1088 A 39 PHE HE% A 69 PHE HBy 1.0 . 4.27 1165 1089 A 39 PHE HE% A 72 PRO HBx 1.0 . 4.12 1166 1090 A 72 PRO HBy A 39 PHE HE% 1.0 . 4.52 1167 1091 A 39 PHE HE% A 72 PRO HGy 1.0 . 4.87 1168 1092 A 39 PHE HE% A 72 PRO HGx 1.0 . 4.87 1169 1093 A 38 PHE HBx A 39 PHE HE% 1.0 . 4.71 1170 1094 A 39 PHE HE% A 45 ALA HB% 1.0 . 5.04 1171 1095 A 39 PHE HE% A 48 ALA HB% 1.0 . 4.09 1172 1096 A 48 ALA HB% A 39 PHE HZ 1.0 . 4.80 1173 1097 A 69 PHE HA A 39 PHE HZ 1.0 . 4.53 1174 1098 A 44 HIS HD2 A 44 HIS HA 1.0 . 4.72 1175 1099 A 44 HIS HD2 A 47 LYS HEx 1.0 . 4.38 1176 1099 A 44 HIS HD2 A 47 LYS HEy 1.0 . 4.38 1177 1100 A 44 HIS HD2 A 43 GLY HAy 1.0 . 4.63 1178 1101 A 44 HIS HE1 A 46 LEU HDx% 1.0 . 4.63 1179 1102 A 44 HIS HE1 A 46 LEU HDy% 1.0 . 4.63 1180 1103 A 44 HIS HE1 A 46 LEU HBx 1.0 . 3.07 1181 1104 A 44 HIS HE1 A 46 LEU HBy 1.0 . 3.07 1182 1105 A 44 HIS HE1 A 47 LYS HEx 1.0 . 3.71 1183 1105 A 44 HIS HE1 A 47 LYS HEy 1.0 . 3.71 1184 1106 A 47 LYS HA A 44 HIS HE1 1.0 . 4.96 1185 1107 A 44 HIS HE1 A 46 LEU HA 1.0 . 4.94 1186 1108 A 46 LEU H A 44 HIS HE1 1.0 . 4.13 1187 1109 A 63 LEU H A 56 HIS HD2 1.0 . 4.55 1188 1110 A 62 GLU H A 56 HIS HD2 1.0 . 5.13 1189 1111 A 62 GLU HA A 56 HIS HD2 1.0 . 3.12 1190 1112 A 56 HIS HBy A 56 HIS HD2 1.0 . 3.24 1191 1113 A 56 HIS HBx A 56 HIS HD2 1.0 . 3.92 1192 1114 A 56 HIS HD2 A 62 GLU HBx 1.0 . 3.75 1193 1114 A 62 GLU HBy A 56 HIS HD2 1.0 . 3.75 1194 1115 A 52 ALA HB% A 56 HIS HD2 1.0 . 5.31 1195 1116 A 56 HIS HE1 A 60 GLN HBx 1.0 . 4.92 1196 1117 A 60 GLN HA A 56 HIS HE1 1.0 . 4.15 1197 1118 A 62 GLU HA A 56 HIS HE1 1.0 . 4.41 1198 1119 A 59 TYR H A 59 TYR HD% 1.0 . 3.29 1199 1120 A 58 GLU H A 59 TYR HD% 1.0 . 4.23 1200 1121 A 59 TYR HD% A 59 TYR HA 1.0 . 3.24 1201 1122 A 56 HIS HA A 59 TYR HD% 1.0 . 5.03 1202 1123 A 59 TYR HD% A 58 GLU HA 1.0 . 5.19 1203 1124 A 55 VAL HA A 59 TYR HD% 1.0 . 3.17 1204 1125 A 55 VAL HB A 59 TYR HD% 1.0 . 4.68 1205 1126 A 19 LEU HG A 59 TYR HD% 1.0 . 5.46 1206 1127 A 58 GLU HBx A 59 TYR HD% 1.0 . 3.57 1207 1128 A 58 GLU HBy A 59 TYR HD% 1.0 . 3.37 1208 1129 A 59 TYR HD% A 61 VAL HGx% 1.0 . 3.60 1209 1129 A 61 VAL HGy% A 59 TYR HD% 1.0 . 3.60 1210 1130 A 81 VAL HGx% A 59 TYR HD% 1.0 . 3.27 1211 1131 A 59 TYR HE% A 81 VAL HGx% 1.0 . 3.68 1212 1132 A 59 TYR HE% A 55 VAL HGx% 1.0 . 4.15 1213 1133 A 59 TYR HE% A 55 VAL HGy% 1.0 . 4.15 1214 1134 A 59 TYR HE% A 58 GLU HBy 1.0 . 3.40 1215 1135 A 59 TYR HE% A 58 GLU HBx 1.0 . 3.79 1216 1136 A 19 LEU HG A 59 TYR HE% 1.0 . 4.32 1217 1137 A 18 LYS HBy A 59 TYR HE% 1.0 . 3.86 1218 1138 A 59 TYR HE% A 19 LEU HA 1.0 . 4.46 1219 1139 A 59 TYR HE% A 59 TYR H 1.0 . 4.47 1220 1140 A 39 PHE HZ A 69 PHE HD% 1.0 . 4.99 1221 1141 A 69 PHE HA A 69 PHE HD% 1.0 . 3.96 1222 1142 A 69 PHE HD% A 70 ALA HA 1.0 . 4.33 1223 1143 A 66 LYS HA A 69 PHE HD% 1.0 . 4.01 1224 1144 A 65 LEU HBx A 69 PHE HD% 1.0 . 4.04 1225 1145 A 69 PHE HE% A 70 ALA HA 1.0 . 4.31 1226 1146 A 69 PHE H A 69 PHE HE% 1.0 . 5.08 1227 1147 A 70 ALA HA A 69 PHE HZ 1.0 . 4.75 1228 1148 A 70 ALA HB% A 69 PHE HZ 1.0 . 4.69 1229 1149 A 80 TYR HD% A 67 VAL HGy% 1.0 . 4.18 1230 1150 A 81 VAL HGx% A 80 TYR HD% 1.0 . 4.69 1231 1151 A 80 TYR HD% A 63 LEU HDy% 1.0 . 4.03 1232 1152 A 80 TYR HD% A 63 LEU HDx% 1.0 . 4.03 1233 1153 A 80 TYR HD% A 67 VAL HGx% 1.0 . 4.18 1234 1154 A 81 VAL HGy% A 80 TYR HD% 1.0 . 2.90 1235 1155 A 83 THR HG2% A 80 TYR HD% 1.0 . 4.55 1236 1156 A 80 TYR HD% A 84 ARG HGx 1.0 . 4.70 1237 1156 A 80 TYR HD% A 84 ARG HGy 1.0 . 4.70 1238 1157 A 76 ALA HB% A 80 TYR HD% 1.0 . 5.31 1239 1158 A 67 VAL HB A 80 TYR HD% 1.0 . 4.93 1240 1159 A 81 VAL HB A 80 TYR HD% 1.0 . 5.18 1241 1160 A 80 TYR HD% A 84 ARG HDx 1.0 . 4.48 1242 1161 A 80 TYR HD% A 84 ARG HDy 1.0 . 4.48 1243 1162 A 80 TYR HD% A 80 TYR HA 1.0 . 3.15 1244 1163 A 77 LEU HA A 80 TYR HD% 1.0 . 3.74 1245 1164 A 80 TYR HD% A 63 LEU HA 1.0 . 5.17 1246 1165 A 81 VAL H A 80 TYR HD% 1.0 . 3.48 1247 1166 A 80 TYR HE% A 63 LEU HA 1.0 . 3.62 1248 1167 A 64 PRO HDx A 80 TYR HE% 1.0 . 4.63 1249 1168 A 80 TYR HE% A 80 TYR HA 1.0 . 4.96 1250 1169 A 64 PRO HDy A 80 TYR HE% 1.0 . 3.51 1251 1170 A 80 TYR HE% A 84 ARG HDy 1.0 . 3.85 1252 1171 A 80 TYR HE% A 84 ARG HDx 1.0 . 3.85 1253 1172 A 80 TYR HE% A 64 PRO HGx 1.0 . 4.76 1254 1172 A 64 PRO HGy A 80 TYR HE% 1.0 . 4.76 1255 1173 A 67 VAL HB A 80 TYR HE% 1.0 . 5.05 1256 1174 A 80 TYR HE% A 84 ARG HGx 1.0 . 4.50 1257 1174 A 80 TYR HE% A 84 ARG HGy 1.0 . 4.50 1258 1175 A 83 THR HG2% A 80 TYR HE% 1.0 . 5.50 1259 1176 A 81 VAL HGy% A 80 TYR HE% 1.0 . 3.27 1260 1177 A 80 TYR HE% A 67 VAL HGx% 1.0 . 3.46 1261 1178 A 80 TYR HE% A 67 VAL HGy% 1.0 . 3.46 1262 1179 A 4 THR H A 3 VAL HGy% 1.0 . 3.84 1263 1179 A 4 THR H A 3 VAL HGx% 1.0 . 3.84 1264 1180 A 5 GLU H A 3 VAL HGy% 1.0 . 4.99 1265 1180 A 5 GLU H A 3 VAL HGx% 1.0 . 4.99 1266 1181 A 5 GLU H A 5 GLU HBx 1.0 . 3.10 1267 1181 A 5 GLU H A 5 GLU HBy 1.0 . 3.10 1268 1182 A 7 GLN H A 7 GLN HBx 1.0 . 2.78 1269 1182 A 7 GLN H A 7 GLN HBy 1.0 . 2.78 1270 1183 A 8 TYR H A 7 GLN HBx 1.0 . 3.55 1271 1183 A 8 TYR H A 7 GLN HBy 1.0 . 3.55 1272 1184 A 9 VAL H A 8 TYR HBx 1.0 . 3.80 1273 1184 A 9 VAL H A 8 TYR HBy 1.0 . 3.80 1274 1185 A 8 TYR HD% A 33 GLY HAx 1.0 . 3.31 1275 1185 A 8 TYR HD% A 33 GLY HAy 1.0 . 3.31 1276 1186 A 8 TYR HE% A 33 GLY HAx 1.0 . 3.14 1277 1186 A 8 TYR HE% A 33 GLY HAy 1.0 . 3.14 1278 1187 A 9 VAL H A 33 GLY HAx 1.0 . 3.27 1279 1187 A 9 VAL H A 33 GLY HAy 1.0 . 3.27 1280 1188 A 17 SER H A 11 PRO HGx 1.0 . 4.04 1281 1188 A 17 SER H A 11 PRO HGy 1.0 . 4.04 1282 1189 A 13 ASN H A 13 ASN HBy 1.0 . 3.37 1283 1189 A 13 ASN H A 13 ASN HBx 1.0 . 3.37 1284 1190 A 15 VAL H A 13 ASN HBy 1.0 . 3.64 1285 1190 A 15 VAL H A 13 ASN HBx 1.0 . 3.64 1286 1191 A 15 VAL H A 15 VAL HGy% 1.0 . 2.63 1287 1191 A 15 VAL H A 15 VAL HGx% 1.0 . 2.63 1288 1192 A 15 VAL H A 18 LYS HGy 1.0 . 4.97 1289 1192 A 15 VAL H A 18 LYS HGx 1.0 . 4.97 1290 1193 A 16 GLU H A 15 VAL HGy% 1.0 . 3.30 1291 1193 A 16 GLU H A 15 VAL HGx% 1.0 . 3.30 1292 1194 A 17 SER H A 15 VAL HGy% 1.0 . 4.48 1293 1194 A 17 SER H A 15 VAL HGx% 1.0 . 4.48 1294 1195 A 18 LYS H A 15 VAL HGy% 1.0 . 4.65 1295 1195 A 18 LYS H A 15 VAL HGx% 1.0 . 4.65 1296 1196 A 19 LEU H A 15 VAL HGy% 1.0 . 4.19 1297 1196 A 19 LEU H A 15 VAL HGx% 1.0 . 4.19 1298 1197 A 59 TYR HD% A 15 VAL HGy% 1.0 . 4.20 1299 1197 A 59 TYR HD% A 15 VAL HGx% 1.0 . 4.20 1300 1198 A 59 TYR HE% A 15 VAL HGy% 1.0 . 3.30 1301 1198 A 59 TYR HE% A 15 VAL HGx% 1.0 . 3.30 1302 1199 A 82 ALA H A 15 VAL HGy% 1.0 . 3.70 1303 1199 A 82 ALA H A 15 VAL HGx% 1.0 . 3.70 1304 1200 A 83 THR H A 15 VAL HGy% 1.0 . 5.44 1305 1200 A 83 THR H A 15 VAL HGx% 1.0 . 5.44 1306 1201 A 16 GLU H A 18 LYS HGy 1.0 . 5.30 1307 1201 A 16 GLU H A 18 LYS HGx 1.0 . 5.30 1308 1202 A 17 SER H A 18 LYS HGy 1.0 . 5.13 1309 1202 A 17 SER H A 18 LYS HGx 1.0 . 5.13 1310 1203 A 17 SER H A 19 LEU HDy% 1.0 . 5.44 1311 1203 A 17 SER H A 19 LEU HDx% 1.0 . 5.44 1312 1204 A 18 LYS H A 18 LYS HGy 1.0 . 3.32 1313 1204 A 18 LYS H A 18 LYS HGx 1.0 . 3.32 1314 1205 A 18 LYS H A 18 LYS HDy 1.0 . 4.71 1315 1205 A 18 LYS H A 18 LYS HDx 1.0 . 4.71 1316 1206 A 18 LYS H A 18 LYS HEy 1.0 . 4.41 1317 1206 A 18 LYS H A 18 LYS HEx 1.0 . 4.41 1318 1207 A 18 LYS H A 19 LEU HDy% 1.0 . 4.03 1319 1207 A 18 LYS H A 19 LEU HDx% 1.0 . 4.03 1320 1208 A 19 LEU H A 18 LYS HGy 1.0 . 4.05 1321 1208 A 19 LEU H A 18 LYS HGx 1.0 . 4.05 1322 1209 A 19 LEU H A 19 LEU HDy% 1.0 . 3.01 1323 1209 A 19 LEU H A 19 LEU HDx% 1.0 . 3.01 1324 1210 A 19 LEU H A 21 GLU HGx 1.0 . 5.34 1325 1210 A 19 LEU H A 21 GLU HGy 1.0 . 5.34 1326 1211 A 20 ALA H A 19 LEU HDy% 1.0 . 4.52 1327 1211 A 20 ALA H A 19 LEU HDx% 1.0 . 4.52 1328 1212 A 21 GLU H A 19 LEU HDy% 1.0 . 5.44 1329 1212 A 21 GLU H A 19 LEU HDx% 1.0 . 5.44 1330 1213 A 59 TYR HE% A 19 LEU HDy% 1.0 . 2.88 1331 1213 A 59 TYR HE% A 19 LEU HDx% 1.0 . 2.88 1332 1214 A 77 LEU H A 19 LEU HDy% 1.0 . 4.28 1333 1214 A 77 LEU H A 19 LEU HDx% 1.0 . 4.28 1334 1215 A 78 ALA H A 19 LEU HDy% 1.0 . 3.10 1335 1215 A 78 ALA H A 19 LEU HDx% 1.0 . 3.10 1336 1216 A 79 GLN H A 19 LEU HDy% 1.0 . 4.60 1337 1216 A 79 GLN H A 19 LEU HDx% 1.0 . 4.60 1338 1217 A 80 TYR H A 19 LEU HDy% 1.0 . 5.18 1339 1217 A 80 TYR H A 19 LEU HDx% 1.0 . 5.18 1340 1218 A 81 VAL H A 19 LEU HDy% 1.0 . 4.31 1341 1218 A 81 VAL H A 19 LEU HDx% 1.0 . 4.31 1342 1219 A 20 ALA H A 21 GLU HGx 1.0 . 4.99 1343 1219 A 20 ALA H A 21 GLU HGy 1.0 . 4.99 1344 1220 A 21 GLU H A 21 GLU HBy 1.0 . 2.58 1345 1220 A 21 GLU H A 21 GLU HBx 1.0 . 2.58 1346 1221 A 21 GLU H A 21 GLU HGx 1.0 . 2.93 1347 1221 A 21 GLU H A 21 GLU HGy 1.0 . 2.93 1348 1222 A 21 GLU H A 22 ILE HG1x 1.0 . 4.26 1349 1222 A 21 GLU H A 22 ILE HG1y 1.0 . 4.26 1350 1223 A 21 GLU H A 24 GLU HGx 1.0 . 5.29 1351 1223 A 21 GLU H A 24 GLU HGy 1.0 . 5.29 1352 1224 A 22 ILE H A 21 GLU HBy 1.0 . 3.01 1353 1224 A 22 ILE H A 21 GLU HBx 1.0 . 3.01 1354 1225 A 23 TRP H A 21 GLU HBy 1.0 . 5.09 1355 1225 A 23 TRP H A 21 GLU HBx 1.0 . 5.09 1356 1226 A 22 ILE H A 21 GLU HGx 1.0 . 4.47 1357 1226 A 22 ILE H A 21 GLU HGy 1.0 . 4.47 1358 1227 A 22 ILE H A 22 ILE HG1x 1.0 . 2.71 1359 1227 A 22 ILE H A 22 ILE HG1y 1.0 . 2.71 1360 1228 A 22 ILE H A 51 VAL HGy% 1.0 . 5.44 1361 1228 A 22 ILE H A 51 VAL HGx% 1.0 . 5.44 1362 1229 A 23 TRP H A 22 ILE HG1x 1.0 . 4.24 1363 1229 A 23 TRP H A 22 ILE HG1y 1.0 . 4.24 1364 1230 A 23 TRP H A 27 LEU HDy% 1.0 . 5.44 1365 1230 A 23 TRP H A 27 LEU HDx% 1.0 . 5.44 1366 1231 A 23 TRP H A 51 VAL HGy% 1.0 . 4.49 1367 1231 A 23 TRP H A 51 VAL HGx% 1.0 . 4.49 1368 1232 A 23 TRP HD1 A 51 VAL HGy% 1.0 . 3.19 1369 1232 A 23 TRP HD1 A 51 VAL HGx% 1.0 . 3.19 1370 1233 A 23 TRP HE3 A 27 LEU HDy% 1.0 . 3.57 1371 1233 A 23 TRP HE3 A 27 LEU HDx% 1.0 . 3.57 1372 1234 A 23 TRP HE1 A 51 VAL HGy% 1.0 . 4.18 1373 1234 A 23 TRP HE1 A 51 VAL HGx% 1.0 . 4.18 1374 1235 A 23 TRP HZ3 A 27 LEU HDy% 1.0 . 4.61 1375 1235 A 23 TRP HZ3 A 27 LEU HDx% 1.0 . 4.61 1376 1236 A 23 TRP HZ2 A 51 VAL HGy% 1.0 . 4.74 1377 1236 A 23 TRP HZ2 A 51 VAL HGx% 1.0 . 4.74 1378 1237 A 23 TRP HZ2 A 68 LEU HDy% 1.0 . 3.70 1379 1237 A 23 TRP HZ2 A 68 LEU HDx% 1.0 . 3.70 1380 1238 A 24 GLU H A 24 GLU HGx 1.0 . 2.97 1381 1238 A 24 GLU H A 24 GLU HGy 1.0 . 2.97 1382 1239 A 24 GLU H A 27 LEU HDy% 1.0 . 5.19 1383 1239 A 24 GLU H A 27 LEU HDx% 1.0 . 5.19 1384 1240 A 25 ARG H A 24 GLU HGx 1.0 . 4.29 1385 1240 A 25 ARG H A 24 GLU HGy 1.0 . 4.29 1386 1241 A 29 VAL H A 24 GLU HGx 1.0 . 4.51 1387 1241 A 29 VAL H A 24 GLU HGy 1.0 . 4.51 1388 1242 A 31 GLY H A 24 GLU HGx 1.0 . 3.91 1389 1242 A 31 GLY H A 24 GLU HGy 1.0 . 3.91 1390 1243 A 25 ARG H A 25 ARG HBy 1.0 . 2.72 1391 1243 A 25 ARG H A 25 ARG HBx 1.0 . 2.72 1392 1244 A 25 ARG H A 26 VAL HGy% 1.0 . 4.07 1393 1244 A 25 ARG H A 26 VAL HGx% 1.0 . 4.07 1394 1245 A 26 VAL H A 25 ARG HBy 1.0 . 3.19 1395 1245 A 26 VAL H A 25 ARG HBx 1.0 . 3.19 1396 1246 A 26 VAL H A 26 VAL HGy% 1.0 . 2.69 1397 1246 A 26 VAL H A 26 VAL HGx% 1.0 . 2.69 1398 1247 A 27 LEU H A 26 VAL HGy% 1.0 . 3.61 1399 1247 A 27 LEU H A 26 VAL HGx% 1.0 . 3.61 1400 1248 A 38 PHE HE% A 26 VAL HGy% 1.0 . 3.81 1401 1248 A 38 PHE HE% A 26 VAL HGx% 1.0 . 3.81 1402 1249 A 38 PHE HZ A 26 VAL HGy% 1.0 . 3.96 1403 1249 A 38 PHE HZ A 26 VAL HGx% 1.0 . 3.96 1404 1250 A 48 ALA H A 26 VAL HGy% 1.0 . 5.15 1405 1250 A 48 ALA H A 26 VAL HGx% 1.0 . 5.15 1406 1251 A 50 ALA H A 26 VAL HGy% 1.0 . 4.22 1407 1251 A 50 ALA H A 26 VAL HGx% 1.0 . 4.22 1408 1252 A 51 VAL H A 26 VAL HGy% 1.0 . 3.33 1409 1252 A 51 VAL H A 26 VAL HGx% 1.0 . 3.33 1410 1253 A 52 ALA H A 26 VAL HGy% 1.0 . 5.38 1411 1253 A 52 ALA H A 26 VAL HGx% 1.0 . 5.38 1412 1254 A 27 LEU H A 27 LEU HDy% 1.0 . 3.42 1413 1254 A 27 LEU H A 27 LEU HDx% 1.0 . 3.42 1414 1255 A 27 LEU H A 29 VAL HGy% 1.0 . 5.39 1415 1255 A 27 LEU H A 29 VAL HGx% 1.0 . 5.39 1416 1256 A 27 LEU H A 51 VAL HGy% 1.0 . 5.44 1417 1256 A 27 LEU H A 51 VAL HGx% 1.0 . 5.44 1418 1257 A 29 VAL H A 27 LEU HDy% 1.0 . 4.44 1419 1257 A 29 VAL H A 27 LEU HDx% 1.0 . 4.44 1420 1258 A 38 PHE H A 27 LEU HDy% 1.0 . 5.36 1421 1258 A 38 PHE H A 27 LEU HDx% 1.0 . 5.36 1422 1259 A 38 PHE HD% A 27 LEU HDy% 1.0 . 3.59 1423 1259 A 38 PHE HD% A 27 LEU HDx% 1.0 . 3.59 1424 1260 A 38 PHE HE% A 27 LEU HDy% 1.0 . 3.22 1425 1260 A 38 PHE HE% A 27 LEU HDx% 1.0 . 3.22 1426 1261 A 38 PHE HZ A 27 LEU HDy% 1.0 . 3.84 1427 1261 A 38 PHE HZ A 27 LEU HDx% 1.0 . 3.84 1428 1262 A 39 PHE H A 27 LEU HDy% 1.0 . 5.44 1429 1262 A 39 PHE H A 27 LEU HDx% 1.0 . 5.44 1430 1263 A 41 ILE H A 27 LEU HDy% 1.0 . 4.79 1431 1263 A 41 ILE H A 27 LEU HDx% 1.0 . 4.79 1432 1264 A 43 GLY H A 27 LEU HDy% 1.0 . 3.59 1433 1264 A 43 GLY H A 27 LEU HDx% 1.0 . 3.59 1434 1265 A 44 HIS H A 27 LEU HDy% 1.0 . 4.41 1435 1265 A 44 HIS H A 27 LEU HDx% 1.0 . 4.41 1436 1266 A 47 LYS H A 27 LEU HDy% 1.0 . 5.44 1437 1266 A 47 LYS H A 27 LEU HDx% 1.0 . 5.44 1438 1267 A 48 ALA H A 27 LEU HDy% 1.0 . 5.21 1439 1267 A 48 ALA H A 27 LEU HDx% 1.0 . 5.21 1440 1268 A 28 GLY H A 29 VAL HGy% 1.0 . 4.35 1441 1268 A 28 GLY H A 29 VAL HGx% 1.0 . 4.35 1442 1269 A 29 VAL H A 29 VAL HGy% 1.0 . 2.90 1443 1269 A 29 VAL H A 29 VAL HGx% 1.0 . 2.90 1444 1270 A 30 SER H A 29 VAL HGy% 1.0 . 3.40 1445 1270 A 30 SER H A 29 VAL HGx% 1.0 . 3.40 1446 1271 A 31 GLY H A 29 VAL HGy% 1.0 . 4.95 1447 1271 A 31 GLY H A 29 VAL HGx% 1.0 . 4.95 1448 1272 A 33 GLY H A 36 ASP HBx 1.0 . 3.65 1449 1272 A 33 GLY H A 36 ASP HBy 1.0 . 3.65 1450 1273 A 35 LEU H A 33 GLY HAx 1.0 . 3.75 1451 1273 A 35 LEU H A 33 GLY HAy 1.0 . 3.75 1452 1274 A 36 ASP H A 33 GLY HAx 1.0 . 4.41 1453 1274 A 36 ASP H A 33 GLY HAy 1.0 . 4.41 1454 1275 A 35 LEU H A 36 ASP HBx 1.0 . 4.24 1455 1275 A 35 LEU H A 36 ASP HBy 1.0 . 4.24 1456 1276 A 36 ASP H A 36 ASP HBx 1.0 . 2.81 1457 1276 A 36 ASP H A 36 ASP HBy 1.0 . 2.81 1458 1277 A 37 ASN H A 36 ASP HBx 1.0 . 4.07 1459 1277 A 37 ASN H A 36 ASP HBy 1.0 . 4.07 1460 1278 A 37 ASN H A 40 GLN HBx 1.0 . 3.96 1461 1278 A 37 ASN H A 40 GLN HBy 1.0 . 3.96 1462 1279 A 38 PHE H A 72 PRO HGx 1.0 . 4.38 1463 1279 A 38 PHE H A 72 PRO HGy 1.0 . 4.38 1464 1280 A 38 PHE HD% A 51 VAL HGy% 1.0 . 4.28 1465 1280 A 38 PHE HD% A 51 VAL HGx% 1.0 . 4.28 1466 1281 A 38 PHE HD% A 68 LEU HDy% 1.0 . 4.06 1467 1281 A 38 PHE HD% A 68 LEU HDx% 1.0 . 4.06 1468 1282 A 38 PHE HE% A 47 LYS HBx 1.0 . 3.56 1469 1282 A 38 PHE HE% A 47 LYS HBy 1.0 . 3.56 1470 1283 A 38 PHE HE% A 51 VAL HGy% 1.0 . 3.19 1471 1283 A 38 PHE HE% A 51 VAL HGx% 1.0 . 3.19 1472 1284 A 38 PHE HE% A 68 LEU HDy% 1.0 . 4.19 1473 1284 A 38 PHE HE% A 68 LEU HDx% 1.0 . 4.19 1474 1285 A 38 PHE HZ A 47 LYS HBx 1.0 . 3.32 1475 1285 A 38 PHE HZ A 47 LYS HBy 1.0 . 3.32 1476 1286 A 38 PHE HZ A 51 VAL HGy% 1.0 . 3.55 1477 1286 A 38 PHE HZ A 51 VAL HGx% 1.0 . 3.55 1478 1287 A 38 PHE HZ A 68 LEU HDy% 1.0 . 4.49 1479 1287 A 38 PHE HZ A 68 LEU HDx% 1.0 . 4.49 1480 1288 A 39 PHE H A 39 PHE HBx 1.0 . 3.02 1481 1288 A 39 PHE H A 39 PHE HBy 1.0 . 3.02 1482 1289 A 39 PHE H A 40 GLN HBx 1.0 . 4.75 1483 1289 A 39 PHE H A 40 GLN HBy 1.0 . 4.75 1484 1290 A 39 PHE H A 72 PRO HGx 1.0 . 4.62 1485 1290 A 39 PHE H A 72 PRO HGy 1.0 . 4.62 1486 1291 A 40 GLN H A 39 PHE HBx 1.0 . 3.49 1487 1291 A 40 GLN H A 39 PHE HBy 1.0 . 3.49 1488 1292 A 39 PHE HD% A 44 HIS HBx 1.0 . 5.02 1489 1292 A 39 PHE HD% A 44 HIS HBy 1.0 . 5.02 1490 1293 A 39 PHE HD% A 72 PRO HGx 1.0 . 3.65 1491 1293 A 39 PHE HD% A 72 PRO HGy 1.0 . 3.65 1492 1294 A 39 PHE HE% A 68 LEU HDy% 1.0 . 4.23 1493 1294 A 39 PHE HE% A 68 LEU HDx% 1.0 . 4.23 1494 1295 A 39 PHE HE% A 72 PRO HGx 1.0 . 4.25 1495 1295 A 39 PHE HE% A 72 PRO HGy 1.0 . 4.25 1496 1296 A 39 PHE HZ A 68 LEU HBx 1.0 . 5.13 1497 1296 A 39 PHE HZ A 68 LEU HBy 1.0 . 5.13 1498 1297 A 39 PHE HZ A 68 LEU HDy% 1.0 . 4.60 1499 1297 A 39 PHE HZ A 68 LEU HDx% 1.0 . 4.60 1500 1298 A 40 GLN H A 40 GLN HBx 1.0 . 2.88 1501 1298 A 40 GLN H A 40 GLN HBy 1.0 . 2.88 1502 1299 A 41 ILE H A 40 GLN HBx 1.0 . 3.90 1503 1299 A 41 ILE H A 40 GLN HBy 1.0 . 3.90 1504 1300 A 41 ILE H A 42 GLY HAy 1.0 . 4.98 1505 1300 A 41 ILE H A 42 GLY HAx 1.0 . 4.98 1506 1301 A 43 GLY H A 47 LYS HBx 1.0 . 5.34 1507 1301 A 43 GLY H A 47 LYS HBy 1.0 . 5.34 1508 1302 A 44 HIS H A 47 LYS HGy 1.0 . 3.71 1509 1302 A 44 HIS H A 47 LYS HGx 1.0 . 3.71 1510 1303 A 44 HIS HD2 A 44 HIS HBx 1.0 . 3.29 1511 1303 A 44 HIS HD2 A 44 HIS HBy 1.0 . 3.29 1512 1304 A 46 LEU H A 44 HIS HBx 1.0 . 5.05 1513 1304 A 46 LEU H A 44 HIS HBy 1.0 . 5.05 1514 1305 A 44 HIS HD2 A 46 LEU HBx 1.0 . 5.34 1515 1305 A 44 HIS HD2 A 46 LEU HBy 1.0 . 5.34 1516 1306 A 44 HIS HD2 A 47 LYS HGy 1.0 . 4.99 1517 1306 A 44 HIS HD2 A 47 LYS HGx 1.0 . 4.99 1518 1307 A 44 HIS HE1 A 46 LEU HBx 1.0 . 2.61 1519 1307 A 44 HIS HE1 A 46 LEU HBy 1.0 . 2.61 1520 1308 A 44 HIS HE1 A 46 LEU HDy% 1.0 . 3.95 1521 1308 A 44 HIS HE1 A 46 LEU HDx% 1.0 . 3.95 1522 1309 A 44 HIS HE1 A 47 LYS HGy 1.0 . 3.22 1523 1309 A 44 HIS HE1 A 47 LYS HGx 1.0 . 3.22 1524 1310 A 44 HIS HE1 A 47 LYS HDy 1.0 . 3.83 1525 1310 A 44 HIS HE1 A 47 LYS HDx 1.0 . 3.83 1526 1311 A 46 LEU H A 46 LEU HBx 1.0 . 3.16 1527 1311 A 46 LEU H A 46 LEU HBy 1.0 . 3.16 1528 1312 A 46 LEU H A 46 LEU HDy% 1.0 . 4.38 1529 1312 A 46 LEU H A 46 LEU HDx% 1.0 . 4.38 1530 1313 A 46 LEU H A 47 LYS HGy 1.0 . 5.04 1531 1313 A 46 LEU H A 47 LYS HGx 1.0 . 5.04 1532 1314 A 46 LEU H A 47 LYS HDy 1.0 . 5.26 1533 1314 A 46 LEU H A 47 LYS HDx 1.0 . 5.26 1534 1315 A 48 ALA H A 46 LEU HBx 1.0 . 5.28 1535 1315 A 48 ALA H A 46 LEU HBy 1.0 . 5.28 1536 1316 A 47 LYS H A 47 LYS HBx 1.0 . 3.23 1537 1316 A 47 LYS H A 47 LYS HBy 1.0 . 3.23 1538 1317 A 47 LYS H A 47 LYS HGy 1.0 . 3.25 1539 1317 A 47 LYS H A 47 LYS HGx 1.0 . 3.25 1540 1318 A 47 LYS H A 47 LYS HDy 1.0 . 2.93 1541 1318 A 47 LYS H A 47 LYS HDx 1.0 . 2.93 1542 1319 A 47 LYS H A 51 VAL HGy% 1.0 . 5.44 1543 1319 A 47 LYS H A 51 VAL HGx% 1.0 . 5.44 1544 1320 A 48 ALA H A 47 LYS HBx 1.0 . 3.47 1545 1320 A 48 ALA H A 47 LYS HBy 1.0 . 3.47 1546 1321 A 48 ALA H A 47 LYS HGy 1.0 . 4.37 1547 1321 A 48 ALA H A 47 LYS HGx 1.0 . 4.37 1548 1322 A 48 ALA H A 49 MET HBy 1.0 . 5.12 1549 1322 A 48 ALA H A 49 MET HBx 1.0 . 5.12 1550 1323 A 48 ALA H A 49 MET HGx 1.0 . 4.75 1551 1323 A 48 ALA H A 49 MET HGy 1.0 . 4.75 1552 1324 A 48 ALA H A 51 VAL HGy% 1.0 . 4.48 1553 1324 A 48 ALA H A 51 VAL HGx% 1.0 . 4.48 1554 1325 A 48 ALA H A 68 LEU HDy% 1.0 . 5.08 1555 1325 A 48 ALA H A 68 LEU HDx% 1.0 . 5.08 1556 1326 A 49 MET H A 49 MET HBy 1.0 . 2.78 1557 1326 A 49 MET H A 49 MET HBx 1.0 . 2.78 1558 1327 A 49 MET H A 51 VAL HGy% 1.0 . 4.57 1559 1327 A 49 MET H A 51 VAL HGx% 1.0 . 4.57 1560 1328 A 50 ALA H A 49 MET HBy 1.0 . 3.08 1561 1328 A 50 ALA H A 49 MET HBx 1.0 . 3.08 1562 1329 A 51 VAL H A 49 MET HBy 1.0 . 5.02 1563 1329 A 51 VAL H A 49 MET HBx 1.0 . 5.02 1564 1330 A 50 ALA H A 49 MET HGx 1.0 . 4.17 1565 1330 A 50 ALA H A 49 MET HGy 1.0 . 4.17 1566 1331 A 50 ALA H A 51 VAL HGy% 1.0 . 4.02 1567 1331 A 50 ALA H A 51 VAL HGx% 1.0 . 4.02 1568 1332 A 51 VAL H A 51 VAL HGy% 1.0 . 2.75 1569 1332 A 51 VAL H A 51 VAL HGx% 1.0 . 2.75 1570 1333 A 52 ALA H A 51 VAL HGy% 1.0 . 3.35 1571 1333 A 52 ALA H A 51 VAL HGx% 1.0 . 3.35 1572 1334 A 53 ALA H A 51 VAL HGy% 1.0 . 5.11 1573 1334 A 53 ALA H A 51 VAL HGx% 1.0 . 5.11 1574 1335 A 54 GLN H A 51 VAL HGy% 1.0 . 4.85 1575 1335 A 54 GLN H A 51 VAL HGx% 1.0 . 4.85 1576 1336 A 55 VAL H A 51 VAL HGy% 1.0 . 4.64 1577 1336 A 55 VAL H A 51 VAL HGx% 1.0 . 4.64 1578 1337 A 52 ALA H A 55 VAL HGy% 1.0 . 4.38 1579 1337 A 52 ALA H A 55 VAL HGx% 1.0 . 4.38 1580 1338 A 52 ALA H A 68 LEU HDy% 1.0 . 4.29 1581 1338 A 52 ALA H A 68 LEU HDx% 1.0 . 4.29 1582 1339 A 53 ALA H A 54 GLN HGx 1.0 . 4.39 1583 1339 A 53 ALA H A 54 GLN HGy 1.0 . 4.39 1584 1340 A 53 ALA H A 55 VAL HGy% 1.0 . 4.92 1585 1340 A 53 ALA H A 55 VAL HGx% 1.0 . 4.92 1586 1341 A 54 GLN H A 55 VAL HGy% 1.0 . 4.34 1587 1341 A 54 GLN H A 55 VAL HGx% 1.0 . 4.34 1588 1342 A 55 VAL H A 54 GLN HGx 1.0 . 3.95 1589 1342 A 55 VAL H A 54 GLN HGy 1.0 . 3.95 1590 1343 A 55 VAL H A 55 VAL HGy% 1.0 . 2.64 1591 1343 A 55 VAL H A 55 VAL HGx% 1.0 . 2.64 1592 1344 A 56 HIS H A 55 VAL HGy% 1.0 . 3.98 1593 1344 A 56 HIS H A 55 VAL HGx% 1.0 . 3.98 1594 1345 A 57 ARG H A 55 VAL HGy% 1.0 . 4.27 1595 1345 A 57 ARG H A 55 VAL HGx% 1.0 . 4.27 1596 1346 A 58 GLU H A 55 VAL HGy% 1.0 . 4.70 1597 1346 A 58 GLU H A 55 VAL HGx% 1.0 . 4.70 1598 1347 A 59 TYR H A 55 VAL HGy% 1.0 . 3.83 1599 1347 A 59 TYR H A 55 VAL HGx% 1.0 . 3.83 1600 1348 A 59 TYR HD% A 55 VAL HGy% 1.0 . 2.77 1601 1348 A 59 TYR HD% A 55 VAL HGx% 1.0 . 2.77 1602 1349 A 59 TYR HE% A 55 VAL HGy% 1.0 . 3.39 1603 1349 A 59 TYR HE% A 55 VAL HGx% 1.0 . 3.39 1604 1350 A 60 GLN H A 55 VAL HGy% 1.0 . 5.26 1605 1350 A 60 GLN H A 55 VAL HGx% 1.0 . 5.26 1606 1351 A 56 HIS HD2 A 62 GLU HGx 1.0 . 3.86 1607 1351 A 56 HIS HD2 A 62 GLU HGy 1.0 . 3.86 1608 1352 A 58 GLU H A 58 GLU HGy 1.0 . 2.91 1609 1352 A 58 GLU H A 58 GLU HGx 1.0 . 2.91 1610 1353 A 58 GLU H A 60 GLN HGx 1.0 . 5.34 1611 1353 A 58 GLU H A 60 GLN HGy 1.0 . 5.34 1612 1354 A 59 TYR H A 58 GLU HGy 1.0 . 4.49 1613 1354 A 59 TYR H A 58 GLU HGx 1.0 . 4.49 1614 1355 A 59 TYR HD% A 58 GLU HGy 1.0 . 5.34 1615 1355 A 59 TYR HD% A 58 GLU HGx 1.0 . 5.34 1616 1356 A 59 TYR H A 60 GLN HGx 1.0 . 5.12 1617 1356 A 59 TYR H A 60 GLN HGy 1.0 . 5.12 1618 1357 A 59 TYR HD% A 85 SER HBy 1.0 . 4.01 1619 1357 A 59 TYR HD% A 85 SER HBx 1.0 . 4.01 1620 1358 A 61 VAL H A 60 GLN HGx 1.0 . 4.88 1621 1358 A 61 VAL H A 60 GLN HGy 1.0 . 4.88 1622 1359 A 62 GLU H A 62 GLU HGx 1.0 . 4.53 1623 1359 A 62 GLU H A 62 GLU HGy 1.0 . 4.53 1624 1360 A 63 LEU H A 62 GLU HGx 1.0 . 3.74 1625 1360 A 63 LEU H A 62 GLU HGy 1.0 . 3.74 1626 1361 A 63 LEU H A 63 LEU HBx 1.0 . 2.78 1627 1361 A 63 LEU H A 63 LEU HBy 1.0 . 2.78 1628 1362 A 63 LEU H A 63 LEU HDy% 1.0 . 4.01 1629 1362 A 63 LEU H A 63 LEU HDx% 1.0 . 4.01 1630 1363 A 80 TYR HE% A 63 LEU HBx 1.0 . 4.41 1631 1363 A 80 TYR HE% A 63 LEU HBy 1.0 . 4.41 1632 1364 A 67 VAL H A 63 LEU HDy% 1.0 . 4.29 1633 1364 A 67 VAL H A 63 LEU HDx% 1.0 . 4.29 1634 1365 A 68 LEU H A 63 LEU HDy% 1.0 . 3.67 1635 1365 A 68 LEU H A 63 LEU HDx% 1.0 . 3.67 1636 1366 A 80 TYR HD% A 63 LEU HDy% 1.0 . 3.20 1637 1366 A 80 TYR HD% A 63 LEU HDx% 1.0 . 3.20 1638 1367 A 80 TYR HE% A 63 LEU HDy% 1.0 . 3.38 1639 1367 A 80 TYR HE% A 63 LEU HDx% 1.0 . 3.38 1640 1368 A 65 LEU H A 65 LEU HDy% 1.0 . 4.35 1641 1368 A 65 LEU H A 65 LEU HDx% 1.0 . 4.35 1642 1369 A 66 LYS H A 65 LEU HDy% 1.0 . 4.35 1643 1369 A 66 LYS H A 65 LEU HDx% 1.0 . 4.35 1644 1370 A 68 LEU H A 65 LEU HDy% 1.0 . 4.39 1645 1370 A 68 LEU H A 65 LEU HDx% 1.0 . 4.39 1646 1371 A 69 PHE H A 65 LEU HDy% 1.0 . 4.77 1647 1371 A 69 PHE H A 65 LEU HDx% 1.0 . 4.77 1648 1372 A 69 PHE HD% A 65 LEU HDy% 1.0 . 4.36 1649 1372 A 69 PHE HD% A 65 LEU HDx% 1.0 . 4.36 1650 1373 A 69 PHE HE% A 65 LEU HDy% 1.0 . 5.44 1651 1373 A 69 PHE HE% A 65 LEU HDx% 1.0 . 5.44 1652 1374 A 70 ALA H A 65 LEU HDy% 1.0 . 5.14 1653 1374 A 70 ALA H A 65 LEU HDx% 1.0 . 5.14 1654 1375 A 66 LYS H A 66 LYS HBx 1.0 . 2.84 1655 1375 A 66 LYS H A 66 LYS HBy 1.0 . 2.84 1656 1376 A 66 LYS H A 67 VAL HGy% 1.0 . 4.59 1657 1376 A 66 LYS H A 67 VAL HGx% 1.0 . 4.59 1658 1377 A 69 PHE HD% A 66 LYS HBx 1.0 . 4.41 1659 1377 A 69 PHE HD% A 66 LYS HBy 1.0 . 4.41 1660 1378 A 69 PHE HE% A 66 LYS HBx 1.0 . 4.12 1661 1378 A 69 PHE HE% A 66 LYS HBy 1.0 . 4.12 1662 1379 A 67 VAL H A 67 VAL HGy% 1.0 . 2.80 1663 1379 A 67 VAL H A 67 VAL HGx% 1.0 . 2.80 1664 1380 A 68 LEU H A 67 VAL HGy% 1.0 . 3.78 1665 1380 A 68 LEU H A 67 VAL HGx% 1.0 . 3.78 1666 1381 A 70 ALA H A 67 VAL HGy% 1.0 . 4.45 1667 1381 A 70 ALA H A 67 VAL HGx% 1.0 . 4.45 1668 1382 A 71 GLN H A 67 VAL HGy% 1.0 . 4.06 1669 1382 A 71 GLN H A 67 VAL HGx% 1.0 . 4.06 1670 1383 A 80 TYR H A 67 VAL HGy% 1.0 . 5.32 1671 1383 A 80 TYR H A 67 VAL HGx% 1.0 . 5.32 1672 1384 A 80 TYR HD% A 67 VAL HGy% 1.0 . 3.20 1673 1384 A 80 TYR HD% A 67 VAL HGx% 1.0 . 3.20 1674 1385 A 80 TYR HE% A 67 VAL HGy% 1.0 . 3.01 1675 1385 A 80 TYR HE% A 67 VAL HGx% 1.0 . 3.01 1676 1386 A 68 LEU H A 68 LEU HBx 1.0 . 2.64 1677 1386 A 68 LEU H A 68 LEU HBy 1.0 . 2.64 1678 1387 A 68 LEU H A 68 LEU HDy% 1.0 . 3.73 1679 1387 A 68 LEU H A 68 LEU HDx% 1.0 . 3.73 1680 1388 A 69 PHE H A 68 LEU HBx 1.0 . 2.97 1681 1388 A 69 PHE H A 68 LEU HBy 1.0 . 2.97 1682 1389 A 70 ALA H A 68 LEU HBx 1.0 . 5.34 1683 1389 A 70 ALA H A 68 LEU HBy 1.0 . 5.34 1684 1390 A 69 PHE H A 68 LEU HDy% 1.0 . 3.97 1685 1390 A 69 PHE H A 68 LEU HDx% 1.0 . 3.97 1686 1391 A 71 GLN H A 68 LEU HDy% 1.0 . 4.75 1687 1391 A 71 GLN H A 68 LEU HDx% 1.0 . 4.75 1688 1392 A 70 ALA H A 71 GLN HBy 1.0 . 5.34 1689 1392 A 70 ALA H A 71 GLN HBx 1.0 . 5.34 1690 1393 A 70 ALA H A 71 GLN HGx 1.0 . 4.48 1691 1393 A 70 ALA H A 71 GLN HGy 1.0 . 4.48 1692 1394 A 71 GLN H A 71 GLN HBy 1.0 . 2.98 1693 1394 A 71 GLN H A 71 GLN HBx 1.0 . 2.98 1694 1395 A 71 GLN H A 71 GLN HGx 1.0 . 3.19 1695 1395 A 71 GLN H A 71 GLN HGy 1.0 . 3.19 1696 1396 A 73 THR H A 71 GLN HBy 1.0 . 4.18 1697 1396 A 73 THR H A 71 GLN HBx 1.0 . 4.18 1698 1397 A 76 ALA H A 71 GLN HBy 1.0 . 4.99 1699 1397 A 76 ALA H A 71 GLN HBx 1.0 . 4.99 1700 1398 A 75 LYS H A 75 LYS HGy 1.0 . 4.68 1701 1398 A 75 LYS H A 75 LYS HGx 1.0 . 4.68 1702 1399 A 76 ALA H A 75 LYS HGy 1.0 . 3.71 1703 1399 A 76 ALA H A 75 LYS HGx 1.0 . 3.71 1704 1400 A 78 ALA H A 75 LYS HGy 1.0 . 5.34 1705 1400 A 78 ALA H A 75 LYS HGx 1.0 . 5.34 1706 1401 A 78 ALA H A 79 GLN HGx 1.0 . 5.34 1707 1401 A 78 ALA H A 79 GLN HGy 1.0 . 5.34 1708 1402 A 79 GLN H A 79 GLN HGx 1.0 . 3.09 1709 1402 A 79 GLN H A 79 GLN HGy 1.0 . 3.09 1710 1403 A 80 TYR H A 79 GLN HGx 1.0 . 4.41 1711 1403 A 80 TYR H A 79 GLN HGy 1.0 . 4.41 1712 1404 A 81 VAL H A 79 GLN HGx 1.0 . 5.34 1713 1404 A 81 VAL H A 79 GLN HGy 1.0 . 5.34 1714 1405 A 82 ALA H A 79 GLN HGx 1.0 . 5.34 1715 1405 A 82 ALA H A 79 GLN HGy 1.0 . 5.34 1716 1406 A 80 TYR HD% A 84 ARG HBx 1.0 . 4.99 1717 1406 A 80 TYR HD% A 84 ARG HBy 1.0 . 4.99 1718 1407 A 80 TYR HD% A 84 ARG HDy 1.0 . 3.80 1719 1407 A 80 TYR HD% A 84 ARG HDx 1.0 . 3.80 1720 1408 A 81 VAL H A 84 ARG HBx 1.0 . 5.34 1721 1408 A 81 VAL H A 84 ARG HBy 1.0 . 5.34 1722 1409 A 81 VAL H A 84 ARG HDy 1.0 . 5.34 1723 1409 A 81 VAL H A 84 ARG HDx 1.0 . 5.34 1724 1410 A 83 THR H A 84 ARG HBx 1.0 . 5.20 1725 1410 A 83 THR H A 84 ARG HBy 1.0 . 5.20 1726 1411 A 83 THR H A 84 ARG HDy 1.0 . 5.34 1727 1411 A 83 THR H A 84 ARG HDx 1.0 . 5.34 1728 1412 A 84 ARG H A 84 ARG HBx 1.0 . 3.15 1729 1412 A 84 ARG H A 84 ARG HBy 1.0 . 3.15 1730 1413 A 84 ARG H A 84 ARG HDy 1.0 . 3.94 1731 1413 A 84 ARG H A 84 ARG HDx 1.0 . 3.94 1732 1414 A 84 ARG H A 85 SER HBy 1.0 . 4.60 1733 1414 A 84 ARG H A 85 SER HBx 1.0 . 4.60 1734 1415 A 85 SER H A 84 ARG HBx 1.0 . 3.85 1735 1415 A 85 SER H A 84 ARG HBy 1.0 . 3.85 1736 1416 A 85 SER H A 85 SER HBy 1.0 . 3.09 1737 1416 A 85 SER H A 85 SER HBx 1.0 . 3.09 1738 1417 A 85 SER H A 86 HIS HBy 1.0 . 4.99 1739 1417 A 85 SER H A 86 HIS HBx 1.0 . 4.99 1740 1418 A 87 HIS H A 86 HIS HBy 1.0 . 4.32 1741 1418 A 87 HIS H A 86 HIS HBx 1.0 . 4.32 1742 1419 A 87 HIS H A 87 HIS HBy 1.0 . 3.63 1743 1419 A 87 HIS H A 87 HIS HBx 1.0 . 3.63 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 6 ALA C A 7 GLN N A 7 GLN CA A 7 GLN C 1.0 -149.8 -33.7 PHI 2 2 A 7 GLN N A 7 GLN CA A 7 GLN C A 8 TYR N 1.0 103.3 191.6 PSI 3 3 A 7 GLN C A 8 TYR N A 8 TYR CA A 8 TYR C 1.0 -145.8 -13.1 PHI 4 4 A 8 TYR N A 8 TYR CA A 8 TYR C A 9 VAL N 1.0 93.2 150.9 PSI 5 5 A 8 TYR C A 9 VAL N A 9 VAL CA A 9 VAL C 1.0 -154.2 -79.4 PHI 6 6 A 9 VAL N A 9 VAL CA A 9 VAL C A 10 ALA N 1.0 118.1 148.3 PSI 7 7 A 9 VAL C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -130.6 -32.0 PHI 8 8 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 PRO N 1.0 68.1 189.9 PSI 9 9 A 12 THR C A 13 ASN N A 13 ASN CA A 13 ASN C 1.0 -209.7 -51.5 PHI 10 10 A 13 ASN N A 13 ASN CA A 13 ASN C A 14 ALA N 1.0 110.1 198.9 PSI 11 11 A 13 ASN C A 14 ALA N A 14 ALA CA A 14 ALA C 1.0 -106.5 -23.5 PHI 12 12 A 14 ALA N A 14 ALA CA A 14 ALA C A 15 VAL N 1.0 -69.9 5.5 PSI 13 13 A 14 ALA C A 15 VAL N A 15 VAL CA A 15 VAL C 1.0 -82.2 -51.0 PHI 14 14 A 15 VAL N A 15 VAL CA A 15 VAL C A 16 GLU N 1.0 -60.2 -24.3 PSI 15 15 A 15 VAL C A 16 GLU N A 16 GLU CA A 16 GLU C 1.0 -76.4 -51.5 PHI 16 16 A 16 GLU N A 16 GLU CA A 16 GLU C A 17 SER N 1.0 -60.9 -22.1 PSI 17 17 A 16 GLU C A 17 SER N A 17 SER CA A 17 SER C 1.0 -75.0 -55.0 PHI 18 18 A 17 SER N A 17 SER CA A 17 SER C A 18 LYS N 1.0 -52.2 -31.4 PSI 19 19 A 17 SER C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -76.3 -50.6 PHI 20 20 A 18 LYS N A 18 LYS CA A 18 LYS C A 19 LEU N 1.0 -57.5 -18.1 PSI 21 21 A 18 LYS C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 -73.5 -53.1 PHI 22 22 A 19 LEU N A 19 LEU CA A 19 LEU C A 20 ALA N 1.0 -52.0 -32.0 PSI 23 23 A 19 LEU C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -74.1 -51.9 PHI 24 24 A 20 ALA N A 20 ALA CA A 20 ALA C A 21 GLU N 1.0 -48.6 -27.7 PSI 25 25 A 20 ALA C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -77.3 -57.4 PHI 26 26 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 ILE N 1.0 -53.1 -33.1 PSI 27 27 A 21 GLU C A 22 ILE N A 22 ILE CA A 22 ILE C 1.0 -71.9 -51.9 PHI 28 28 A 22 ILE N A 22 ILE CA A 22 ILE C A 23 TRP N 1.0 -55.5 -35.1 PSI 29 29 A 22 ILE C A 23 TRP N A 23 TRP CA A 23 TRP C 1.0 -70.5 -50.5 PHI 30 30 A 23 TRP N A 23 TRP CA A 23 TRP C A 24 GLU N 1.0 -51.6 -24.3 PSI 31 31 A 23 TRP C A 24 GLU N A 24 GLU CA A 24 GLU C 1.0 -73.1 -51.8 PHI 32 32 A 24 GLU N A 24 GLU CA A 24 GLU C A 25 ARG N 1.0 -58.5 -32.8 PSI 33 33 A 24 GLU C A 25 ARG N A 25 ARG CA A 25 ARG C 1.0 -80.0 -49.6 PHI 34 34 A 25 ARG N A 25 ARG CA A 25 ARG C A 26 VAL N 1.0 -62.4 -16.5 PSI 35 35 A 25 ARG C A 26 VAL N A 26 VAL CA A 26 VAL C 1.0 -113.5 -40.4 PHI 36 36 A 26 VAL N A 26 VAL CA A 26 VAL C A 27 LEU N 1.0 -55.3 -34.1 PSI 37 37 A 26 VAL C A 27 LEU N A 27 LEU CA A 27 LEU C 1.0 -117.5 -60.4 PHI 38 38 A 27 LEU N A 27 LEU CA A 27 LEU C A 28 GLY N 1.0 -49.5 36.8 PSI 39 39 A 28 GLY C A 29 VAL N A 29 VAL CA A 29 VAL C 1.0 -163.1 -95.1 PHI 40 40 A 29 VAL N A 29 VAL CA A 29 VAL C A 30 SER N 1.0 150.1 173.7 PSI 41 41 A 29 VAL C A 30 SER N A 30 SER CA A 30 SER C 1.0 -174.9 -49.6 PHI 42 42 A 30 SER N A 30 SER CA A 30 SER C A 31 GLY N 1.0 109.4 177.2 PSI 43 43 A 31 GLY C A 32 ILE N A 32 ILE CA A 32 ILE C 1.0 -90.7 -47.4 PHI 44 44 A 32 ILE N A 32 ILE CA A 32 ILE C A 33 GLY N 1.0 122.3 149.3 PSI 45 45 A 33 GLY C A 34 ILE N A 34 ILE CA A 34 ILE C 1.0 -81.3 -47.3 PHI 46 46 A 34 ILE N A 34 ILE CA A 34 ILE C A 35 LEU N 1.0 -52.4 14.2 PSI 47 47 A 34 ILE C A 35 LEU N A 35 LEU CA A 35 LEU C 1.0 -107.5 -85.3 PHI 48 48 A 35 LEU N A 35 LEU CA A 35 LEU C A 36 ASP N 1.0 -32.6 32.7 PSI 49 49 A 35 LEU C A 36 ASP N A 36 ASP CA A 36 ASP C 1.0 -119.7 -43.4 PHI 50 50 A 36 ASP N A 36 ASP CA A 36 ASP C A 37 ASN N 1.0 116.9 172.4 PSI 51 51 A 36 ASP C A 37 ASN N A 37 ASN CA A 37 ASN C 1.0 -123.6 -50.9 PHI 52 52 A 37 ASN N A 37 ASN CA A 37 ASN C A 38 PHE N 1.0 80.1 176.7 PSI 53 53 A 37 ASN C A 38 PHE N A 38 PHE CA A 38 PHE C 1.0 -75.5 -39.9 PHI 54 54 A 38 PHE N A 38 PHE CA A 38 PHE C A 39 PHE N 1.0 -52.3 -22.8 PSI 55 55 A 38 PHE C A 39 PHE N A 39 PHE CA A 39 PHE C 1.0 -92.8 -48.1 PHI 56 56 A 39 PHE N A 39 PHE CA A 39 PHE C A 40 GLN N 1.0 -48.3 10.5 PSI 57 57 A 39 PHE C A 40 GLN N A 40 GLN CA A 40 GLN C 1.0 -85.9 -44.9 PHI 58 58 A 40 GLN N A 40 GLN CA A 40 GLN C A 41 ILE N 1.0 -51.7 -18.3 PSI 59 59 A 40 GLN C A 41 ILE N A 41 ILE CA A 41 ILE C 1.0 -119.7 -72.1 PHI 60 60 A 41 ILE N A 41 ILE CA A 41 ILE C A 42 GLY N 1.0 -30.9 29.1 PSI 61 61 A 43 GLY C A 44 HIS N A 44 HIS CA A 44 HIS C 1.0 -210.2 -33.4 PHI 62 62 A 44 HIS N A 44 HIS CA A 44 HIS C A 45 ALA N 1.0 130.1 186.6 PSI 63 63 A 44 HIS C A 45 ALA N A 45 ALA CA A 45 ALA C 1.0 -72.5 -44.4 PHI 64 64 A 45 ALA N A 45 ALA CA A 45 ALA C A 46 LEU N 1.0 -55.7 -28.5 PSI 65 65 A 45 ALA C A 46 LEU N A 46 LEU CA A 46 LEU C 1.0 -75.2 -55.2 PHI 66 66 A 46 LEU N A 46 LEU CA A 46 LEU C A 47 LYS N 1.0 -54.4 -30.9 PSI 67 67 A 46 LEU C A 47 LYS N A 47 LYS CA A 47 LYS C 1.0 -93.5 -45.3 PHI 68 68 A 47 LYS N A 47 LYS CA A 47 LYS C A 48 ALA N 1.0 -58.9 -15.1 PSI 69 69 A 47 LYS C A 48 ALA N A 48 ALA CA A 48 ALA C 1.0 -73.0 -53.0 PHI 70 70 A 48 ALA N A 48 ALA CA A 48 ALA C A 49 MET N 1.0 -47.8 -27.8 PSI 71 71 A 48 ALA C A 49 MET N A 49 MET CA A 49 MET C 1.0 -74.5 -54.5 PHI 72 72 A 49 MET N A 49 MET CA A 49 MET C A 50 ALA N 1.0 -53.8 -31.8 PSI 73 73 A 49 MET C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -75.9 -55.9 PHI 74 74 A 50 ALA N A 50 ALA CA A 50 ALA C A 51 VAL N 1.0 -51.9 -28.3 PSI 75 75 A 50 ALA C A 51 VAL N A 51 VAL CA A 51 VAL C 1.0 -76.1 -56.1 PHI 76 76 A 51 VAL N A 51 VAL CA A 51 VAL C A 52 ALA N 1.0 -52.6 -32.6 PSI 77 77 A 51 VAL C A 52 ALA N A 52 ALA CA A 52 ALA C 1.0 -71.2 -49.0 PHI 78 78 A 52 ALA N A 52 ALA CA A 52 ALA C A 53 ALA N 1.0 -57.7 -26.6 PSI 79 79 A 52 ALA C A 53 ALA N A 53 ALA CA A 53 ALA C 1.0 -74.9 -54.9 PHI 80 80 A 53 ALA N A 53 ALA CA A 53 ALA C A 54 GLN N 1.0 -53.7 -28.5 PSI 81 81 A 53 ALA C A 54 GLN N A 54 GLN CA A 54 GLN C 1.0 -77.6 -56.3 PHI 82 82 A 54 GLN N A 54 GLN CA A 54 GLN C A 55 VAL N 1.0 -52.1 -32.1 PSI 83 83 A 54 GLN C A 55 VAL N A 55 VAL CA A 55 VAL C 1.0 -78.6 -51.3 PHI 84 84 A 55 VAL N A 55 VAL CA A 55 VAL C A 56 HIS N 1.0 -50.1 -30.1 PSI 85 85 A 55 VAL C A 56 HIS N A 56 HIS CA A 56 HIS C 1.0 -70.3 -50.3 PHI 86 86 A 56 HIS N A 56 HIS CA A 56 HIS C A 57 ARG N 1.0 -55.1 -35.1 PSI 87 87 A 56 HIS C A 57 ARG N A 57 ARG CA A 57 ARG C 1.0 -73.7 -50.6 PHI 88 88 A 57 ARG N A 57 ARG CA A 57 ARG C A 58 GLU N 1.0 -47.2 -27.2 PSI 89 89 A 57 ARG C A 58 GLU N A 58 GLU CA A 58 GLU C 1.0 -95.6 -49.1 PHI 90 90 A 58 GLU N A 58 GLU CA A 58 GLU C A 59 TYR N 1.0 -47.4 -16.7 PSI 91 91 A 58 GLU C A 59 TYR N A 59 TYR CA A 59 TYR C 1.0 -120.2 -63.8 PHI 92 92 A 59 TYR N A 59 TYR CA A 59 TYR C A 60 GLN N 1.0 -34.7 15.1 PSI 93 93 A 60 GLN C A 61 VAL N A 61 VAL CA A 61 VAL C 1.0 -165.2 -86.7 PHI 94 94 A 61 VAL N A 61 VAL CA A 61 VAL C A 62 GLU N 1.0 107.9 184.6 PSI 95 95 A 61 VAL C A 62 GLU N A 62 GLU CA A 62 GLU C 1.0 -144.5 -65.3 PHI 96 96 A 62 GLU N A 62 GLU CA A 62 GLU C A 63 LEU N 1.0 104.1 149.2 PSI 97 97 A 62 GLU C A 63 LEU N A 63 LEU CA A 63 LEU C 1.0 -145.8 -49.0 PHI 98 98 A 63 LEU N A 63 LEU CA A 63 LEU C A 64 PRO N 1.0 79.5 177.8 PSI 99 99 A 64 PRO C A 65 LEU N A 65 LEU CA A 65 LEU C 1.0 -64.7 -41.4 PHI 100 100 A 65 LEU N A 65 LEU CA A 65 LEU C A 66 LYS N 1.0 -51.5 -27.5 PSI 101 101 A 65 LEU C A 66 LYS N A 66 LYS CA A 66 LYS C 1.0 -73.5 -53.5 PHI 102 102 A 66 LYS N A 66 LYS CA A 66 LYS C A 67 VAL N 1.0 -55.5 -17.2 PSI 103 103 A 66 LYS C A 67 VAL N A 67 VAL CA A 67 VAL C 1.0 -86.5 -49.2 PHI 104 104 A 67 VAL N A 67 VAL CA A 67 VAL C A 68 LEU N 1.0 -58.1 -38.1 PSI 105 105 A 67 VAL C A 68 LEU N A 68 LEU CA A 68 LEU C 1.0 -88.8 -45.0 PHI 106 106 A 68 LEU N A 68 LEU CA A 68 LEU C A 69 PHE N 1.0 -60.3 -33.4 PSI 107 107 A 68 LEU C A 69 PHE N A 69 PHE CA A 69 PHE C 1.0 -80.0 -47.1 PHI 108 108 A 69 PHE N A 69 PHE CA A 69 PHE C A 70 ALA N 1.0 -62.1 -11.6 PSI 109 109 A 69 PHE C A 70 ALA N A 70 ALA CA A 70 ALA C 1.0 -111.4 -44.0 PHI 110 110 A 70 ALA N A 70 ALA CA A 70 ALA C A 71 GLN N 1.0 -80.9 30.0 PSI 111 111 A 70 ALA C A 71 GLN N A 71 GLN CA A 71 GLN C 1.0 -151.4 -86.3 PHI 112 112 A 71 GLN N A 71 GLN CA A 71 GLN C A 72 PRO N 1.0 30.4 124.1 PSI 113 113 A 72 PRO C A 73 THR N A 73 THR CA A 73 THR C 1.0 -141.5 -62.9 PHI 114 114 A 73 THR N A 73 THR CA A 73 THR C A 74 ILE N 1.0 148.9 173.9 PSI 115 115 A 73 THR C A 74 ILE N A 74 ILE CA A 74 ILE C 1.0 -71.3 -51.3 PHI 116 116 A 74 ILE N A 74 ILE CA A 74 ILE C A 75 LYS N 1.0 -53.9 -32.4 PSI 117 117 A 74 ILE C A 75 LYS N A 75 LYS CA A 75 LYS C 1.0 -72.3 -52.3 PHI 118 118 A 75 LYS N A 75 LYS CA A 75 LYS C A 76 ALA N 1.0 -57.6 -23.0 PSI 119 119 A 75 LYS C A 76 ALA N A 76 ALA CA A 76 ALA C 1.0 -91.5 -45.0 PHI 120 120 A 76 ALA N A 76 ALA CA A 76 ALA C A 77 LEU N 1.0 -53.0 -22.6 PSI 121 121 A 76 ALA C A 77 LEU N A 77 LEU CA A 77 LEU C 1.0 -73.0 -53.0 PHI 122 122 A 77 LEU N A 77 LEU CA A 77 LEU C A 78 ALA N 1.0 -52.9 -32.0 PSI 123 123 A 77 LEU C A 78 ALA N A 78 ALA CA A 78 ALA C 1.0 -70.7 -50.7 PHI 124 124 A 78 ALA N A 78 ALA CA A 78 ALA C A 79 GLN N 1.0 -50.9 -30.9 PSI 125 125 A 78 ALA C A 79 GLN N A 79 GLN CA A 79 GLN C 1.0 -75.9 -55.9 PHI 126 126 A 79 GLN N A 79 GLN CA A 79 GLN C A 80 TYR N 1.0 -56.6 -20.5 PSI 127 127 A 79 GLN C A 80 TYR N A 80 TYR CA A 80 TYR C 1.0 -73.8 -53.8 PHI 128 128 A 80 TYR N A 80 TYR CA A 80 TYR C A 81 VAL N 1.0 -54.7 -34.7 PSI 129 129 A 80 TYR C A 81 VAL N A 81 VAL CA A 81 VAL C 1.0 -73.4 -53.4 PHI 130 130 A 81 VAL N A 81 VAL CA A 81 VAL C A 82 ALA N 1.0 -53.0 -32.5 PSI 131 131 A 81 VAL C A 82 ALA N A 82 ALA CA A 82 ALA C 1.0 -68.5 -48.5 PHI 132 132 A 82 ALA N A 82 ALA CA A 82 ALA C A 83 THR N 1.0 -55.3 -35.3 PSI 133 133 A 82 ALA C A 83 THR N A 83 THR CA A 83 THR C 1.0 -115.6 -45.9 PHI 134 134 A 83 THR N A 83 THR CA A 83 THR C A 84 ARG N 1.0 -58.9 0.8 PSI 135 135 A 83 THR C A 84 ARG N A 84 ARG CA A 84 ARG C 1.0 -100.5 -50.9 PHI 136 136 A 84 ARG N A 84 ARG CA A 84 ARG C A 85 SER N 1.0 -58.2 8.5 PSI 137 137 A 84 ARG C A 85 SER N A 85 SER CA A 85 SER C 1.0 -144.5 -40.0 PHI 138 138 A 85 SER N A 85 SER CA A 85 SER C A 86 HIS N 1.0 -52.0 37.3 PSI 139 139 A 85 SER C A 86 HIS N A 86 HIS CA A 86 HIS C 1.0 -152.8 -15.6 PHI 140 140 A 86 HIS N A 86 HIS CA A 86 HIS C A 87 HIS N 1.0 77.8 172.3 PSI stop_ save_