data_nef_c34106_5n9v 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5N9V stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 SER start . . 2 A 2 HIS middle . . 3 A 3 MET middle . . 4 A 4 GLN middle . . 5 A 5 VAL middle . . 6 A 6 SER middle . . 7 A 7 ILE middle . . 8 A 8 GLU middle . . 9 A 9 PHE middle . . 10 A 10 GLN middle . . 11 A 11 ASN middle . . 12 A 12 GLY middle . false 13 A 13 GLU middle . . 14 A 14 LYS middle . . 15 A 15 LEU middle . . 16 A 16 LYS middle . . 17 A 17 PHE middle . . 18 A 18 ASN middle . . 19 A 19 VAL middle . . 20 A 20 GLN middle . . 21 A 21 PRO middle . false 22 A 22 SER middle . . 23 A 23 HIS middle . . 24 A 24 LYS middle . . 25 A 25 ILE middle . . 26 A 26 LEU middle . . 27 A 27 ASP middle . . 28 A 28 ILE middle . . 29 A 29 LYS middle . . 30 A 30 GLU middle . . 31 A 31 MET middle . . 32 A 32 ILE middle . . 33 A 33 PHE middle . . 34 A 34 LYS middle . . 35 A 35 LYS middle . . 36 A 36 THR middle . . 37 A 37 ASN middle . . 38 A 38 ILE middle . . 39 A 39 ASN middle . . 40 A 40 VAL middle . . 41 A 41 LYS middle . . 42 A 42 ASP middle . . 43 A 43 GLN middle . . 44 A 44 SER middle . . 45 A 45 LEU middle . . 46 A 46 LYS middle . . 47 A 47 PHE middle . . 48 A 48 ALA middle . . 49 A 49 GLY middle . false 50 A 50 ASN middle . . 51 A 51 GLU middle . . 52 A 52 MET middle . . 53 A 53 ILE middle . . 54 A 54 ASN middle . . 55 A 55 GLN middle . . 56 A 56 LYS middle . . 57 A 57 THR middle . . 58 A 58 LEU middle . . 59 A 59 SER middle . . 60 A 60 ASP middle . . 61 A 61 TYR middle . . 62 A 62 SER middle . . 63 A 63 ILE middle . . 64 A 64 ILE middle . . 65 A 65 ASP middle . . 66 A 66 SER middle . . 67 A 67 THR middle . . 68 A 68 GLU middle . . 69 A 69 GLU middle . . 70 A 70 PHE middle . . 71 A 71 THR middle . . 72 A 72 LEU middle . . 73 A 73 HIS middle . . 74 A 74 LEU middle . . 75 A 75 GLU middle . . 76 A 76 THR middle . . 77 A 77 LYS middle . . 78 A 78 LEU middle . . 79 A 79 ASP middle . . 80 A 80 LEU middle . . 81 A 81 MET end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 SER HA H 1 3.744 0.000 A 1 SER HBx H 1 3.743 0.000 A 1 SER HBy H 1 3.845 0.036 A 1 SER C C 13 174.228 0.096 A 1 SER CA C 13 59.270 0.000 A 1 SER CB C 13 63.068 0.003 A 2 HIS HA H 1 4.062 0.000 A 2 HIS HBx H 1 2.945 0.000 A 2 HIS HBy H 1 3.063 0.000 A 2 HIS HD2 H 1 6.915 0.000 A 2 HIS HE1 H 1 7.966 0.000 A 2 HIS C C 13 174.434 0.000 A 2 HIS CA C 13 53.824 0.000 A 2 HIS CB C 13 31.619 0.093 A 2 HIS CD2 C 13 119.103 0.000 A 2 HIS CE1 C 13 136.947 0.000 A 3 MET H H 1 8.726 0.007 A 3 MET HA H 1 4.572 0.009 A 3 MET HBy H 1 2.001 0.007 A 3 MET HBx H 1 1.852 0.010 A 3 MET HE% H 1 1.976 0.025 A 3 MET HGx H 1 2.165 0.005 A 3 MET HGy H 1 2.335 0.008 A 3 MET C C 13 174.700 0.004 A 3 MET CA C 13 55.461 0.029 A 3 MET CB C 13 34.279 0.061 A 3 MET CE C 13 16.946 0.026 A 3 MET CG C 13 31.961 0.053 A 3 MET N N 15 121.430 0.043 A 4 GLN H H 1 8.703 0.005 A 4 GLN HA H 1 5.318 0.003 A 4 GLN HBx H 1 1.864 0.005 A 4 GLN HBy H 1 1.864 0.005 A 4 GLN HE2y H 1 7.483 0.034 A 4 GLN HE2x H 1 6.723 0.004 A 4 GLN HGy H 1 2.206 0.004 A 4 GLN HGx H 1 2.205 0.003 A 4 GLN C C 13 175.234 0.001 A 4 GLN CA C 13 54.920 0.084 A 4 GLN CB C 13 32.300 0.042 A 4 GLN CD C 13 180.733 0.001 A 4 GLN CG C 13 34.620 0.094 A 4 GLN N N 15 122.526 0.065 A 4 GLN NE2 N 15 111.897 0.005 A 5 VAL H H 1 8.560 0.004 A 5 VAL HA H 1 4.702 0.002 A 5 VAL HB H 1 1.737 0.004 A 5 VAL HGx% H 1 0.656 0.019 A 5 VAL HGy% H 1 0.719 0.003 A 5 VAL C C 13 173.817 0.004 A 5 VAL CA C 13 59.267 0.032 A 5 VAL CB C 13 34.881 0.037 A 5 VAL CGx C 13 21.100 0.001 A 5 VAL CGy C 13 21.308 0.000 A 5 VAL N N 15 118.479 0.043 A 6 SER H H 1 8.484 0.008 A 6 SER HA H 1 5.137 0.003 A 6 SER HBy H 1 3.663 0.023 A 6 SER HBx H 1 3.522 0.016 A 6 SER C C 13 172.686 0.001 A 6 SER CA C 13 58.146 2.831 A 6 SER CB C 13 64.485 0.010 A 6 SER N N 15 119.717 0.038 A 7 ILE H H 1 9.353 0.006 A 7 ILE HA H 1 4.623 0.002 A 7 ILE HB H 1 2.004 0.003 A 7 ILE HD1% H 1 0.537 0.002 A 7 ILE HG1x H 1 1.188 0.008 A 7 ILE HG1y H 1 1.410 0.004 A 7 ILE HG2% H 1 0.351 0.003 A 7 ILE C C 13 174.628 0.002 A 7 ILE CA C 13 57.882 0.044 A 7 ILE CB C 13 37.464 0.035 A 7 ILE CD1 C 13 12.054 0.076 A 7 ILE CG1 C 13 27.184 0.055 A 7 ILE CG2 C 13 18.501 0.002 A 7 ILE N N 15 125.540 0.045 A 8 GLU H H 1 8.714 0.006 A 8 GLU HA H 1 4.875 0.004 A 8 GLU HBy H 1 1.629 0.007 A 8 GLU HBx H 1 1.486 0.014 A 8 GLU HGx H 1 1.961 0.005 A 8 GLU HGy H 1 2.210 0.007 A 8 GLU C C 13 175.925 0.001 A 8 GLU CA C 13 55.261 0.072 A 8 GLU CB C 13 31.734 0.015 A 8 GLU CG C 13 36.599 0.085 A 8 GLU N N 15 126.891 0.048 A 9 PHE H H 1 8.998 0.010 A 9 PHE HA H 1 4.799 0.003 A 9 PHE HBx H 1 3.215 0.011 A 9 PHE HBy H 1 3.246 0.013 A 9 PHE HDx H 1 7.308 0.000 A 9 PHE HDy H 1 7.308 0.000 A 9 PHE HEx H 1 7.308 0.000 A 9 PHE HEy H 1 7.308 0.000 A 9 PHE C C 13 178.166 0.023 A 9 PHE CA C 13 57.032 0.029 A 9 PHE CB C 13 40.539 0.051 A 9 PHE CDx C 13 131.863 0.023 A 9 PHE CDy C 13 131.863 0.023 A 9 PHE CEx C 13 131.851 0.000 A 9 PHE CEy C 13 131.851 0.000 A 9 PHE N N 15 126.442 0.074 A 10 GLN H H 1 9.438 0.008 A 10 GLN HA H 1 4.093 0.000 A 10 GLN HBx H 1 2.154 0.002 A 10 GLN HBy H 1 2.154 0.002 A 10 GLN HE2y H 1 7.683 0.004 A 10 GLN HE2x H 1 6.973 0.005 A 10 GLN HGx H 1 2.460 0.000 A 10 GLN HGy H 1 2.550 0.000 A 10 GLN C C 13 176.363 0.019 A 10 GLN CA C 13 58.964 0.033 A 10 GLN CB C 13 28.840 0.014 A 10 GLN CD C 13 180.612 0.001 A 10 GLN CG C 13 34.681 0.000 A 10 GLN N N 15 122.200 0.053 A 10 GLN NE2 N 15 113.133 0.010 A 11 ASN H H 1 7.980 0.007 A 11 ASN HA H 1 4.571 0.008 A 11 ASN HBx H 1 2.783 0.002 A 11 ASN HBy H 1 3.171 0.003 A 11 ASN HD2y H 1 7.336 0.003 A 11 ASN HD2x H 1 6.771 0.017 A 11 ASN C C 13 176.400 0.001 A 11 ASN CA C 13 52.699 0.036 A 11 ASN CB C 13 37.517 0.014 A 11 ASN CG C 13 176.918 0.001 A 11 ASN N N 15 114.736 0.136 A 11 ASN ND2 N 15 109.515 0.024 A 12 GLY H H 1 8.089 0.007 A 12 GLY HAx H 1 3.698 0.002 A 12 GLY HAy H 1 4.249 0.004 A 12 GLY C C 13 174.712 0.011 A 12 GLY CA C 13 45.118 0.028 A 12 GLY N N 15 108.171 0.039 A 13 GLU H H 1 7.810 0.008 A 13 GLU HA H 1 4.115 0.002 A 13 GLU HBy H 1 1.829 0.022 A 13 GLU HBx H 1 1.764 0.002 A 13 GLU HGx H 1 1.979 0.008 A 13 GLU HGy H 1 2.071 0.016 A 13 GLU C C 13 175.059 0.002 A 13 GLU CA C 13 57.042 0.021 A 13 GLU CB C 13 29.960 0.005 A 13 GLU CG C 13 36.575 0.138 A 13 GLU N N 15 121.221 0.140 A 14 LYS H H 1 8.247 0.004 A 14 LYS HA H 1 5.594 0.006 A 14 LYS HBx H 1 1.516 0.001 A 14 LYS HBy H 1 1.519 0.003 A 14 LYS HDx H 1 1.521 0.004 A 14 LYS HDy H 1 1.521 0.004 A 14 LYS HEx H 1 2.824 0.000 A 14 LYS HEy H 1 2.824 0.000 A 14 LYS HGx H 1 1.130 0.005 A 14 LYS HGy H 1 1.332 0.002 A 14 LYS C C 13 176.485 0.002 A 14 LYS CA C 13 55.052 0.042 A 14 LYS CB C 13 36.228 0.020 A 14 LYS CD C 13 29.492 0.073 A 14 LYS CE C 13 42.011 0.000 A 14 LYS CG C 13 25.110 0.039 A 14 LYS N N 15 119.206 0.054 A 15 LEU H H 1 8.710 0.004 A 15 LEU HA H 1 4.518 0.003 A 15 LEU HBy H 1 1.427 0.004 A 15 LEU HBx H 1 1.189 0.003 A 15 LEU HDx% H 1 0.805 0.018 A 15 LEU HDy% H 1 0.793 0.001 A 15 LEU HG H 1 1.463 0.006 A 15 LEU C C 13 174.990 0.012 A 15 LEU CA C 13 53.395 0.049 A 15 LEU CB C 13 46.420 0.047 A 15 LEU CDy C 13 25.571 0.007 A 15 LEU CDx C 13 23.636 0.011 A 15 LEU CG C 13 26.909 0.002 A 15 LEU N N 15 123.252 0.047 A 16 LYS H H 1 8.083 0.004 A 16 LYS HA H 1 5.194 0.003 A 16 LYS HBy H 1 1.443 0.010 A 16 LYS HBx H 1 1.442 0.010 A 16 LYS HDx H 1 1.427 0.003 A 16 LYS HDy H 1 1.427 0.003 A 16 LYS HEx H 1 2.733 0.001 A 16 LYS HEy H 1 2.733 0.001 A 16 LYS HGx H 1 1.196 0.003 A 16 LYS HGy H 1 1.196 0.003 A 16 LYS C C 13 175.679 0.002 A 16 LYS CA C 13 55.012 0.029 A 16 LYS CB C 13 34.787 0.009 A 16 LYS CD C 13 29.174 0.054 A 16 LYS CE C 13 41.962 0.043 A 16 LYS CG C 13 24.843 0.026 A 16 LYS N N 15 120.741 0.042 A 17 PHE H H 1 8.493 0.012 A 17 PHE HA H 1 4.828 0.003 A 17 PHE HBx H 1 2.395 0.008 A 17 PHE HBy H 1 3.034 0.011 A 17 PHE HDx H 1 7.024 0.000 A 17 PHE HDy H 1 7.024 0.000 A 17 PHE HEx H 1 7.015 0.000 A 17 PHE HEy H 1 7.015 0.000 A 17 PHE C C 13 174.201 0.003 A 17 PHE CA C 13 56.144 0.115 A 17 PHE CB C 13 43.075 0.040 A 17 PHE CDx C 13 131.633 0.000 A 17 PHE CDy C 13 131.633 0.000 A 17 PHE CEx C 13 131.224 0.000 A 17 PHE CEy C 13 131.224 0.000 A 17 PHE N N 15 118.951 0.063 A 18 ASN H H 1 8.757 0.005 A 18 ASN HA H 1 5.342 0.003 A 18 ASN HBx H 1 2.472 0.000 A 18 ASN HBy H 1 2.647 0.011 A 18 ASN HD2y H 1 7.300 0.004 A 18 ASN HD2x H 1 6.715 0.005 A 18 ASN C C 13 175.116 0.002 A 18 ASN CA C 13 52.972 0.047 A 18 ASN CB C 13 38.691 0.036 A 18 ASN CG C 13 176.414 0.002 A 18 ASN N N 15 121.313 0.043 A 18 ASN ND2 N 15 111.896 0.006 A 19 VAL H H 1 8.541 0.008 A 19 VAL HA H 1 4.759 0.001 A 19 VAL HB H 1 2.166 0.003 A 19 VAL HGx% H 1 0.499 0.003 A 19 VAL HGy% H 1 0.595 0.003 A 19 VAL C C 13 173.695 0.001 A 19 VAL CA C 13 59.162 0.022 A 19 VAL CB C 13 36.324 0.024 A 19 VAL CGx C 13 18.807 0.006 A 19 VAL CGy C 13 22.822 0.003 A 19 VAL N N 15 116.437 0.017 A 20 GLN H H 1 9.559 0.010 A 20 GLN HA H 1 4.888 0.003 A 20 GLN HBx H 1 1.378 0.003 A 20 GLN HBy H 1 2.013 0.003 A 20 GLN HE2y H 1 7.165 0.004 A 20 GLN HE2x H 1 6.802 0.024 A 20 GLN HGx H 1 2.118 0.003 A 20 GLN HGy H 1 2.121 0.000 A 20 GLN C C 13 175.287 0.000 A 20 GLN CA C 13 53.277 0.040 A 20 GLN CB C 13 29.970 0.040 A 20 GLN CD C 13 180.100 0.002 A 20 GLN CG C 13 33.275 0.000 A 20 GLN N N 15 119.580 0.120 A 20 GLN NE2 N 15 111.672 0.201 A 21 PRO HA H 1 4.195 0.003 A 21 PRO HBx H 1 1.925 0.000 A 21 PRO HBy H 1 2.337 0.000 A 21 PRO HDx H 1 3.574 0.004 A 21 PRO HDy H 1 3.752 0.012 A 21 PRO HGy H 1 2.007 0.000 A 21 PRO HGx H 1 1.933 0.000 A 21 PRO C C 13 175.186 0.001 A 21 PRO CA C 13 65.129 0.000 A 21 PRO CB C 13 31.744 0.000 A 21 PRO CD C 13 50.537 0.043 A 21 PRO CG C 13 28.077 0.000 A 22 SER H H 1 6.960 0.007 A 22 SER HA H 1 4.287 0.004 A 22 SER HBx H 1 3.658 0.002 A 22 SER HBy H 1 3.990 0.003 A 22 SER C C 13 175.328 0.005 A 22 SER CA C 13 57.503 0.031 A 22 SER CB C 13 63.293 0.024 A 22 SER N N 15 103.740 0.028 A 23 HIS H H 1 7.984 0.004 A 23 HIS HA H 1 4.327 0.006 A 23 HIS HBy H 1 3.277 0.004 A 23 HIS HBx H 1 2.866 0.005 A 23 HIS HD2 H 1 6.963 0.000 A 23 HIS HE1 H 1 7.462 0.000 A 23 HIS C C 13 176.024 0.001 A 23 HIS CA C 13 60.053 0.081 A 23 HIS CB C 13 31.193 0.025 A 23 HIS CD2 C 13 116.172 0.073 A 23 HIS CE1 C 13 138.011 0.000 A 23 HIS N N 15 123.617 0.025 A 24 LYS H H 1 9.137 0.007 A 24 LYS HA H 1 4.916 0.002 A 24 LYS HBx H 1 1.589 0.003 A 24 LYS HBy H 1 2.184 0.004 A 24 LYS HDx H 1 1.642 0.012 A 24 LYS HDy H 1 1.642 0.012 A 24 LYS HEx H 1 2.969 0.002 A 24 LYS HEy H 1 2.969 0.002 A 24 LYS HGx H 1 1.275 0.003 A 24 LYS HGy H 1 1.275 0.003 A 24 LYS C C 13 178.958 0.003 A 24 LYS CA C 13 54.832 0.034 A 24 LYS CB C 13 33.548 0.053 A 24 LYS CD C 13 29.605 0.058 A 24 LYS CE C 13 42.045 0.033 A 24 LYS CG C 13 25.841 0.036 A 24 LYS N N 15 119.927 0.045 A 25 ILE H H 1 8.902 0.015 A 25 ILE HA H 1 3.518 0.003 A 25 ILE HB H 1 2.520 0.003 A 25 ILE HD1% H 1 0.523 0.003 A 25 ILE HG1x H 1 1.062 0.002 A 25 ILE HG1y H 1 1.722 0.004 A 25 ILE HG2% H 1 0.660 0.003 A 25 ILE C C 13 179.864 0.001 A 25 ILE CA C 13 63.297 0.053 A 25 ILE CB C 13 33.805 0.035 A 25 ILE CD1 C 13 9.279 0.010 A 25 ILE CG1 C 13 28.980 0.044 A 25 ILE CG2 C 13 18.225 0.008 A 25 ILE N N 15 124.876 0.089 A 26 LEU H H 1 8.595 0.005 A 26 LEU HA H 1 3.744 0.005 A 26 LEU HBx H 1 1.217 0.007 A 26 LEU HBy H 1 1.498 0.004 A 26 LEU HDx% H 1 0.489 0.003 A 26 LEU HDy% H 1 0.486 0.000 A 26 LEU HG H 1 1.567 0.006 A 26 LEU C C 13 177.583 0.001 A 26 LEU CA C 13 58.149 0.076 A 26 LEU CB C 13 42.890 0.083 A 26 LEU CDx C 13 23.276 0.028 A 26 LEU CDy C 13 25.609 0.000 A 26 LEU CG C 13 26.386 0.099 A 26 LEU N N 15 119.019 0.186 A 27 ASP H H 1 6.929 0.010 A 27 ASP HA H 1 4.271 0.003 A 27 ASP HBx H 1 2.494 0.004 A 27 ASP HBy H 1 3.116 0.003 A 27 ASP C C 13 179.281 0.003 A 27 ASP CA C 13 57.582 0.050 A 27 ASP CB C 13 40.393 0.030 A 27 ASP N N 15 115.871 0.029 A 28 ILE H H 1 7.506 0.022 A 28 ILE HA H 1 3.611 0.005 A 28 ILE HB H 1 2.008 0.002 A 28 ILE HD1% H 1 0.610 0.006 A 28 ILE HG1y H 1 1.353 0.002 A 28 ILE HG1x H 1 1.216 0.002 A 28 ILE HG2% H 1 0.608 0.006 A 28 ILE C C 13 177.959 0.002 A 28 ILE CA C 13 63.541 0.068 A 28 ILE CB C 13 36.271 0.040 A 28 ILE CD1 C 13 12.235 0.009 A 28 ILE CG1 C 13 28.061 0.055 A 28 ILE CG2 C 13 17.323 0.055 A 28 ILE N N 15 121.105 0.095 A 29 LYS H H 1 8.101 0.008 A 29 LYS HA H 1 4.511 0.004 A 29 LYS HBy H 1 1.850 0.001 A 29 LYS HBx H 1 1.506 0.004 A 29 LYS HDx H 1 1.509 0.007 A 29 LYS HDy H 1 1.509 0.007 A 29 LYS HEx H 1 2.832 0.001 A 29 LYS HEy H 1 2.832 0.001 A 29 LYS HGx H 1 1.367 0.000 A 29 LYS HGy H 1 1.367 0.000 A 29 LYS C C 13 180.232 0.004 A 29 LYS CA C 13 59.497 0.060 A 29 LYS CB C 13 33.586 0.065 A 29 LYS CD C 13 30.365 0.002 A 29 LYS CE C 13 42.948 0.012 A 29 LYS CG C 13 26.692 0.003 A 29 LYS N N 15 119.613 0.050 A 30 GLU H H 1 8.326 0.009 A 30 GLU HA H 1 3.996 0.001 A 30 GLU HBy H 1 2.112 0.002 A 30 GLU HBx H 1 2.061 0.001 A 30 GLU HGx H 1 2.199 0.000 A 30 GLU HGy H 1 2.361 0.004 A 30 GLU C C 13 178.943 0.002 A 30 GLU CA C 13 60.099 0.040 A 30 GLU CB C 13 28.812 0.018 A 30 GLU CG C 13 36.116 0.008 A 30 GLU N N 15 121.835 0.056 A 31 MET H H 1 7.610 0.012 A 31 MET HA H 1 3.837 0.003 A 31 MET HBy H 1 1.793 0.005 A 31 MET HBx H 1 1.282 0.005 A 31 MET HE% H 1 1.569 0.003 A 31 MET HGx H 1 2.324 0.001 A 31 MET HGy H 1 2.552 0.002 A 31 MET C C 13 179.472 0.004 A 31 MET CA C 13 59.734 0.042 A 31 MET CB C 13 31.671 0.054 A 31 MET CE C 13 16.992 0.000 A 31 MET CG C 13 32.438 0.053 A 31 MET N N 15 120.333 0.223 A 32 ILE H H 1 8.297 0.013 A 32 ILE HA H 1 3.484 0.003 A 32 ILE HB H 1 2.319 0.003 A 32 ILE HD1% H 1 0.755 0.000 A 32 ILE HG1x H 1 0.641 0.003 A 32 ILE HG1y H 1 1.725 0.003 A 32 ILE HG2% H 1 0.746 0.007 A 32 ILE C C 13 180.614 0.002 A 32 ILE CA C 13 66.324 0.036 A 32 ILE CB C 13 37.435 0.042 A 32 ILE CD1 C 13 15.272 0.037 A 32 ILE CG1 C 13 30.398 0.082 A 32 ILE CG2 C 13 17.534 0.000 A 32 ILE N N 15 120.395 0.107 A 33 PHE H H 1 9.001 0.003 A 33 PHE HA H 1 4.355 0.004 A 33 PHE HBy H 1 3.305 0.005 A 33 PHE HBx H 1 3.200 0.005 A 33 PHE HDx H 1 7.050 0.001 A 33 PHE HDy H 1 7.050 0.001 A 33 PHE HEx H 1 7.050 0.001 A 33 PHE HEy H 1 7.050 0.001 A 33 PHE C C 13 178.113 0.016 A 33 PHE CA C 13 60.302 0.058 A 33 PHE CB C 13 38.405 0.065 A 33 PHE CDx C 13 131.539 0.014 A 33 PHE CDy C 13 131.539 0.014 A 33 PHE CEx C 13 131.518 0.000 A 33 PHE CEy C 13 131.518 0.000 A 33 PHE N N 15 126.523 0.025 A 34 LYS H H 1 8.165 0.008 A 34 LYS HA H 1 3.513 0.000 A 34 LYS HBy H 1 1.839 0.001 A 34 LYS HBx H 1 1.801 0.001 A 34 LYS HDx H 1 1.589 0.029 A 34 LYS HDy H 1 1.602 0.002 A 34 LYS HEx H 1 2.922 0.000 A 34 LYS HEy H 1 2.922 0.000 A 34 LYS HGx H 1 1.422 0.002 A 34 LYS HGy H 1 1.614 0.004 A 34 LYS C C 13 177.849 0.002 A 34 LYS CA C 13 59.064 0.020 A 34 LYS CB C 13 31.958 0.039 A 34 LYS CD C 13 28.953 0.052 A 34 LYS CE C 13 42.098 0.007 A 34 LYS CG C 13 25.466 0.065 A 34 LYS N N 15 120.167 0.068 A 35 LYS H H 1 7.195 0.010 A 35 LYS HA H 1 4.340 0.003 A 35 LYS HBx H 1 1.976 0.003 A 35 LYS HBy H 1 1.976 0.003 A 35 LYS HDx H 1 1.662 0.003 A 35 LYS HDy H 1 1.972 0.000 A 35 LYS HEy H 1 2.892 0.003 A 35 LYS HEx H 1 2.889 0.000 A 35 LYS HGx H 1 1.518 0.006 A 35 LYS HGy H 1 1.591 0.003 A 35 LYS C C 13 177.495 0.002 A 35 LYS CA C 13 56.807 0.050 A 35 LYS CB C 13 34.310 0.120 A 35 LYS CD C 13 28.436 0.113 A 35 LYS CE C 13 41.986 0.016 A 35 LYS CG C 13 24.899 0.125 A 35 LYS N N 15 114.361 0.036 A 36 THR H H 1 7.979 0.007 A 36 THR HA H 1 4.455 0.003 A 36 THR HB H 1 4.183 0.002 A 36 THR HG2% H 1 1.166 0.001 A 36 THR C C 13 175.536 0.002 A 36 THR CA C 13 62.635 0.028 A 36 THR CB C 13 73.168 0.027 A 36 THR CG2 C 13 21.503 0.033 A 36 THR N N 15 106.184 0.043 A 37 ASN H H 1 8.721 0.008 A 37 ASN HA H 1 4.054 0.003 A 37 ASN HBx H 1 2.727 0.002 A 37 ASN HBy H 1 3.113 0.004 A 37 ASN HD2y H 1 7.430 0.003 A 37 ASN HD2x H 1 6.669 0.004 A 37 ASN C C 13 174.111 0.003 A 37 ASN CA C 13 55.014 0.037 A 37 ASN CB C 13 38.680 0.032 A 37 ASN CG C 13 178.332 0.000 A 37 ASN N N 15 118.584 0.038 A 37 ASN ND2 N 15 111.912 0.001 A 38 ILE H H 1 7.774 0.007 A 38 ILE HA H 1 4.018 0.003 A 38 ILE HB H 1 1.520 0.004 A 38 ILE HD1% H 1 0.823 0.004 A 38 ILE HG1x H 1 1.418 0.001 A 38 ILE HG1y H 1 1.418 0.001 A 38 ILE HG2% H 1 0.855 0.011 A 38 ILE C C 13 175.625 0.001 A 38 ILE CA C 13 61.989 0.108 A 38 ILE CB C 13 38.215 0.036 A 38 ILE CD1 C 13 13.489 0.023 A 38 ILE CG1 C 13 27.573 0.020 A 38 ILE CG2 C 13 17.748 0.025 A 38 ILE N N 15 120.575 0.096 A 39 ASN H H 1 8.969 0.005 A 39 ASN HA H 1 3.947 0.004 A 39 ASN HBy H 1 2.667 0.004 A 39 ASN HBx H 1 2.506 0.002 A 39 ASN HD2y H 1 7.605 0.003 A 39 ASN HD2x H 1 6.910 0.009 A 39 ASN C C 13 176.974 0.003 A 39 ASN CA C 13 54.265 0.095 A 39 ASN CB C 13 38.620 0.010 A 39 ASN CG C 13 175.992 0.001 A 39 ASN N N 15 128.023 0.108 A 39 ASN ND2 N 15 114.371 0.175 A 40 VAL H H 1 8.201 0.004 A 40 VAL HA H 1 3.485 0.003 A 40 VAL HB H 1 1.714 0.004 A 40 VAL HGx% H 1 0.739 0.011 A 40 VAL HGy% H 1 0.715 0.011 A 40 VAL C C 13 179.331 0.000 A 40 VAL CA C 13 66.900 0.087 A 40 VAL CB C 13 31.759 0.036 A 40 VAL CGy C 13 21.480 0.154 A 40 VAL CGx C 13 20.835 0.000 A 40 VAL N N 15 122.880 0.057 A 41 LYS H H 1 8.444 0.004 A 41 LYS HA H 1 3.968 0.003 A 41 LYS HBx H 1 1.602 0.004 A 41 LYS HBy H 1 1.718 0.006 A 41 LYS HDx H 1 1.522 0.000 A 41 LYS HDy H 1 1.522 0.000 A 41 LYS HEy H 1 2.896 0.000 A 41 LYS HEx H 1 2.842 0.024 A 41 LYS HGx H 1 1.144 0.006 A 41 LYS HGy H 1 1.273 0.001 A 41 LYS C C 13 176.060 0.004 A 41 LYS CA C 13 58.224 0.057 A 41 LYS CB C 13 31.659 0.117 A 41 LYS CD C 13 29.047 0.005 A 41 LYS CE C 13 42.043 0.012 A 41 LYS CG C 13 24.214 0.084 A 41 LYS N N 15 116.992 0.047 A 42 ASP H H 1 7.503 0.008 A 42 ASP HA H 1 4.721 0.001 A 42 ASP HBx H 1 2.543 0.003 A 42 ASP HBy H 1 2.871 0.003 A 42 ASP C C 13 175.133 0.005 A 42 ASP CA C 13 54.456 0.013 A 42 ASP CB C 13 42.070 0.058 A 42 ASP N N 15 118.093 0.040 A 43 GLN H H 1 7.170 0.009 A 43 GLN HA H 1 4.149 0.006 A 43 GLN HBx H 1 1.803 0.006 A 43 GLN HBy H 1 1.803 0.006 A 43 GLN HE2y H 1 6.387 0.001 A 43 GLN HE2x H 1 6.332 0.000 A 43 GLN HGx H 1 2.546 0.006 A 43 GLN HGy H 1 2.546 0.006 A 43 GLN C C 13 175.918 0.004 A 43 GLN CA C 13 56.499 0.008 A 43 GLN CB C 13 31.733 0.091 A 43 GLN CD C 13 175.166 0.001 A 43 GLN CG C 13 33.345 0.087 A 43 GLN N N 15 118.409 0.055 A 43 GLN NE2 N 15 103.706 0.010 A 44 SER H H 1 8.502 0.003 A 44 SER HA H 1 4.564 0.004 A 44 SER HBx H 1 3.590 0.002 A 44 SER HBy H 1 3.590 0.002 A 44 SER C C 13 173.229 0.003 A 44 SER CA C 13 56.679 0.030 A 44 SER CB C 13 63.621 0.008 A 44 SER N N 15 118.999 0.036 A 45 LEU H H 1 8.451 0.006 A 45 LEU HA H 1 5.195 0.003 A 45 LEU HBx H 1 1.177 0.005 A 45 LEU HBy H 1 1.262 0.003 A 45 LEU HDx% H 1 0.617 0.000 A 45 LEU HDy% H 1 0.641 0.000 A 45 LEU HG H 1 1.277 0.000 A 45 LEU C C 13 174.936 0.004 A 45 LEU CA C 13 52.717 0.038 A 45 LEU CB C 13 46.132 0.040 A 45 LEU CDy C 13 25.984 0.051 A 45 LEU CDx C 13 24.826 0.040 A 45 LEU CG C 13 26.799 0.035 A 45 LEU N N 15 127.540 0.025 A 46 LYS H H 1 9.154 0.006 A 46 LYS HA H 1 5.027 0.004 A 46 LYS HBy H 1 1.608 0.003 A 46 LYS HBx H 1 1.269 0.005 A 46 LYS HDx H 1 1.444 0.040 A 46 LYS HDy H 1 1.457 0.047 A 46 LYS HEx H 1 2.808 0.000 A 46 LYS HEy H 1 2.808 0.000 A 46 LYS HGx H 1 0.811 0.002 A 46 LYS HGy H 1 1.220 0.003 A 46 LYS C C 13 175.132 0.004 A 46 LYS CA C 13 54.383 0.039 A 46 LYS CB C 13 37.303 0.064 A 46 LYS CD C 13 29.318 0.009 A 46 LYS CE C 13 42.221 0.008 A 46 LYS CG C 13 25.469 0.033 A 46 LYS N N 15 121.521 0.038 A 47 PHE H H 1 8.509 0.009 A 47 PHE HA H 1 5.104 0.003 A 47 PHE HBx H 1 2.626 0.002 A 47 PHE HBy H 1 3.269 0.003 A 47 PHE HDx H 1 7.339 0.005 A 47 PHE HDy H 1 7.339 0.005 A 47 PHE HEx H 1 7.338 0.000 A 47 PHE HEy H 1 7.338 0.000 A 47 PHE C C 13 175.559 0.006 A 47 PHE CA C 13 56.054 0.022 A 47 PHE CB C 13 41.631 0.056 A 47 PHE CDx C 13 130.871 0.000 A 47 PHE CDy C 13 130.871 0.000 A 47 PHE CEx C 13 131.008 0.000 A 47 PHE CEy C 13 131.008 0.000 A 47 PHE N N 15 120.260 0.061 A 48 ALA H H 1 9.174 0.007 A 48 ALA HA H 1 3.671 0.003 A 48 ALA HB% H 1 0.910 0.004 A 48 ALA C C 13 176.796 0.006 A 48 ALA CA C 13 52.682 0.008 A 48 ALA CB C 13 16.614 0.016 A 48 ALA N N 15 133.477 0.074 A 49 GLY H H 1 8.537 0.003 A 49 GLY HAy H 1 4.065 0.002 A 49 GLY HAx H 1 3.350 0.002 A 49 GLY C C 13 173.637 0.003 A 49 GLY CA C 13 45.081 0.031 A 49 GLY N N 15 102.442 0.058 A 50 ASN H H 1 7.842 0.003 A 50 ASN HA H 1 4.966 0.003 A 50 ASN HBx H 1 2.696 0.001 A 50 ASN HBy H 1 2.814 0.004 A 50 ASN HD2y H 1 7.634 0.005 A 50 ASN HD2x H 1 6.980 0.022 A 50 ASN C C 13 174.261 0.005 A 50 ASN CA C 13 52.038 0.015 A 50 ASN CB C 13 40.966 0.018 A 50 ASN CG C 13 176.516 0.000 A 50 ASN N N 15 118.570 0.019 A 50 ASN ND2 N 15 114.958 0.119 A 51 GLU H H 1 8.857 0.005 A 51 GLU HA H 1 4.106 0.004 A 51 GLU HBx H 1 1.844 0.000 A 51 GLU HBy H 1 1.844 0.000 A 51 GLU HGx H 1 2.154 0.000 A 51 GLU HGy H 1 2.154 0.000 A 51 GLU C C 13 175.953 0.008 A 51 GLU CA C 13 57.215 0.023 A 51 GLU CB C 13 29.537 0.008 A 51 GLU CG C 13 35.662 0.005 A 51 GLU N N 15 124.650 0.113 A 52 MET H H 1 8.781 0.003 A 52 MET HA H 1 4.291 0.006 A 52 MET HBy H 1 1.578 0.003 A 52 MET HBx H 1 1.554 0.006 A 52 MET HE% H 1 1.616 0.000 A 52 MET HGx H 1 1.090 0.000 A 52 MET HGy H 1 2.435 0.001 A 52 MET C C 13 175.521 0.002 A 52 MET CA C 13 55.849 0.028 A 52 MET CB C 13 36.694 0.052 A 52 MET CE C 13 18.001 0.179 A 52 MET CG C 13 33.022 0.035 A 52 MET N N 15 126.462 0.043 A 53 ILE H H 1 8.042 0.013 A 53 ILE HA H 1 4.133 0.006 A 53 ILE HB H 1 1.815 0.004 A 53 ILE HD1% H 1 0.815 0.004 A 53 ILE HG1y H 1 1.514 0.005 A 53 ILE HG1x H 1 1.303 0.005 A 53 ILE HG2% H 1 0.997 0.004 A 53 ILE C C 13 176.756 0.001 A 53 ILE CA C 13 60.547 0.103 A 53 ILE CB C 13 38.750 0.062 A 53 ILE CD1 C 13 12.098 0.007 A 53 ILE CG1 C 13 27.387 0.113 A 53 ILE CG2 C 13 17.884 0.013 A 53 ILE N N 15 123.670 0.058 A 54 ASN H H 1 8.431 0.004 A 54 ASN HA H 1 4.218 0.006 A 54 ASN HBx H 1 2.513 0.002 A 54 ASN HBy H 1 2.847 0.003 A 54 ASN HD2y H 1 7.655 0.003 A 54 ASN HD2x H 1 6.974 0.005 A 54 ASN C C 13 176.270 0.004 A 54 ASN CA C 13 56.153 0.097 A 54 ASN CB C 13 38.584 0.050 A 54 ASN CG C 13 174.843 0.002 A 54 ASN N N 15 123.645 0.087 A 54 ASN ND2 N 15 109.249 0.014 A 55 GLN H H 1 7.851 0.006 A 55 GLN HA H 1 4.251 0.003 A 55 GLN HBx H 1 1.941 0.005 A 55 GLN HBy H 1 2.221 0.003 A 55 GLN HE2y H 1 7.560 0.010 A 55 GLN HE2x H 1 6.937 0.005 A 55 GLN HGx H 1 2.374 0.004 A 55 GLN HGy H 1 2.374 0.004 A 55 GLN C C 13 176.593 0.002 A 55 GLN CA C 13 57.007 0.071 A 55 GLN CB C 13 28.352 0.096 A 55 GLN CD C 13 180.638 0.004 A 55 GLN CG C 13 33.932 0.021 A 55 GLN N N 15 113.080 0.038 A 55 GLN NE2 N 15 112.675 0.059 A 56 LYS H H 1 7.578 0.008 A 56 LYS HA H 1 4.428 0.005 A 56 LYS HBy H 1 2.212 0.003 A 56 LYS HBx H 1 2.120 0.003 A 56 LYS HDx H 1 1.622 0.003 A 56 LYS HDy H 1 1.622 0.003 A 56 LYS HEx H 1 2.719 0.003 A 56 LYS HEy H 1 2.719 0.003 A 56 LYS HGx H 1 1.332 0.006 A 56 LYS HGy H 1 1.458 0.004 A 56 LYS C C 13 175.211 0.002 A 56 LYS CA C 13 56.304 0.084 A 56 LYS CB C 13 34.353 0.036 A 56 LYS CD C 13 28.898 0.077 A 56 LYS CE C 13 42.399 0.109 A 56 LYS CG C 13 26.883 0.050 A 56 LYS N N 15 119.765 0.095 A 57 THR H H 1 8.911 0.007 A 57 THR HA H 1 5.265 0.002 A 57 THR HB H 1 4.568 0.003 A 57 THR HG2% H 1 1.068 0.003 A 57 THR C C 13 177.105 0.004 A 57 THR CA C 13 59.760 0.057 A 57 THR CB C 13 72.187 0.006 A 57 THR CG2 C 13 22.323 0.023 A 57 THR N N 15 108.485 0.031 A 58 LEU H H 1 8.193 0.008 A 58 LEU HA H 1 3.919 0.012 A 58 LEU HBx H 1 1.383 0.002 A 58 LEU HBy H 1 1.920 0.004 A 58 LEU HDx% H 1 0.746 0.000 A 58 LEU HDy% H 1 0.491 0.000 A 58 LEU HG H 1 1.568 0.002 A 58 LEU C C 13 180.806 0.001 A 58 LEU CA C 13 58.796 0.061 A 58 LEU CB C 13 39.836 0.009 A 58 LEU CG C 13 26.818 0.007 A 58 LEU N N 15 119.798 0.050 A 59 SER H H 1 8.614 0.003 A 59 SER HA H 1 3.822 0.003 A 59 SER HBx H 1 3.651 0.004 A 59 SER HBy H 1 3.711 0.004 A 59 SER C C 13 177.573 0.003 A 59 SER CA C 13 61.265 0.101 A 59 SER CB C 13 62.348 0.089 A 59 SER N N 15 113.835 0.029 A 60 ASP H H 1 7.787 0.009 A 60 ASP HA H 1 4.269 0.002 A 60 ASP HBx H 1 2.275 0.004 A 60 ASP HBy H 1 3.020 0.003 A 60 ASP C C 13 177.149 0.001 A 60 ASP CA C 13 57.308 0.050 A 60 ASP CB C 13 40.612 0.025 A 60 ASP N N 15 123.393 0.156 A 61 TYR H H 1 7.617 0.013 A 61 TYR HA H 1 4.366 0.005 A 61 TYR HBx H 1 2.413 0.003 A 61 TYR HBy H 1 3.200 0.004 A 61 TYR HDx H 1 7.288 0.000 A 61 TYR HDy H 1 7.288 0.000 A 61 TYR HEx H 1 6.820 0.000 A 61 TYR HEy H 1 6.820 0.000 A 61 TYR C C 13 174.257 0.001 A 61 TYR CA C 13 59.378 0.165 A 61 TYR CB C 13 38.704 0.040 A 61 TYR CDx C 13 133.921 0.000 A 61 TYR CDy C 13 133.921 0.000 A 61 TYR CEx C 13 118.228 0.000 A 61 TYR CEy C 13 118.228 0.000 A 61 TYR N N 15 118.353 0.061 A 62 SER H H 1 7.869 0.018 A 62 SER HA H 1 3.787 0.001 A 62 SER HBx H 1 4.033 0.004 A 62 SER HBy H 1 4.033 0.004 A 62 SER C C 13 173.084 0.002 A 62 SER CA C 13 59.842 0.049 A 62 SER CB C 13 61.694 0.065 A 62 SER N N 15 111.178 0.154 A 63 ILE H H 1 7.304 0.010 A 63 ILE HA H 1 3.349 0.002 A 63 ILE HB H 1 1.272 0.003 A 63 ILE HD1% H 1 -0.167 0.002 A 63 ILE HG1x H 1 0.816 0.003 A 63 ILE HG1y H 1 0.816 0.003 A 63 ILE HG2% H 1 -0.016 0.011 A 63 ILE C C 13 173.721 0.004 A 63 ILE CA C 13 61.085 0.071 A 63 ILE CB C 13 35.977 0.095 A 63 ILE CD1 C 13 13.244 0.010 A 63 ILE CG1 C 13 26.532 0.114 A 63 ILE CG2 C 13 16.078 0.001 A 63 ILE N N 15 122.922 0.064 A 64 ILE H H 1 6.890 0.014 A 64 ILE HA H 1 4.184 0.002 A 64 ILE HB H 1 1.780 0.002 A 64 ILE HD1% H 1 0.776 0.001 A 64 ILE HG1y H 1 1.188 0.003 A 64 ILE HG1x H 1 0.888 0.004 A 64 ILE HG2% H 1 0.767 0.005 A 64 ILE C C 13 175.045 0.012 A 64 ILE CA C 13 60.619 0.071 A 64 ILE CB C 13 41.044 0.018 A 64 ILE CD1 C 13 13.706 0.018 A 64 ILE CG1 C 13 26.532 0.072 A 64 ILE CG2 C 13 17.959 0.000 A 64 ILE N N 15 116.865 0.051 A 65 ASP H H 1 8.053 0.008 A 65 ASP HA H 1 4.550 0.015 A 65 ASP HBx H 1 2.609 0.001 A 65 ASP HBy H 1 2.786 0.003 A 65 ASP C C 13 175.831 0.001 A 65 ASP CA C 13 54.580 0.053 A 65 ASP CB C 13 41.135 0.012 A 65 ASP N N 15 120.803 0.072 A 66 SER H H 1 8.110 0.004 A 66 SER HA H 1 4.521 0.004 A 66 SER HBx H 1 3.781 0.002 A 66 SER HBy H 1 4.049 0.005 A 66 SER C C 13 174.990 0.010 A 66 SER CA C 13 58.574 0.080 A 66 SER CB C 13 63.813 0.094 A 66 SER N N 15 116.577 0.076 A 67 THR H H 1 8.344 0.005 A 67 THR HA H 1 4.238 0.002 A 67 THR HB H 1 4.283 0.004 A 67 THR HG2% H 1 1.137 0.000 A 67 THR C C 13 174.503 0.008 A 67 THR CA C 13 62.937 0.067 A 67 THR CB C 13 69.163 0.035 A 67 THR CG2 C 13 21.831 0.016 A 67 THR N N 15 114.304 0.041 A 68 GLU H H 1 7.803 0.010 A 68 GLU HA H 1 4.214 0.000 A 68 GLU HBx H 1 1.687 0.002 A 68 GLU HBy H 1 1.687 0.002 A 68 GLU HGx H 1 1.875 0.002 A 68 GLU HGy H 1 2.002 0.001 A 68 GLU C C 13 174.869 0.007 A 68 GLU CA C 13 55.679 0.031 A 68 GLU CB C 13 31.248 0.020 A 68 GLU CG C 13 36.098 0.107 A 68 GLU N N 15 122.158 0.034 A 69 GLU H H 1 8.182 0.003 A 69 GLU HA H 1 4.527 0.000 A 69 GLU HBy H 1 1.832 0.001 A 69 GLU HBx H 1 1.767 0.000 A 69 GLU HGx H 1 1.978 0.002 A 69 GLU HGy H 1 2.065 0.000 A 69 GLU C C 13 175.772 0.003 A 69 GLU CA C 13 55.568 0.021 A 69 GLU CB C 13 31.036 0.023 A 69 GLU CG C 13 36.465 0.057 A 69 GLU N N 15 121.448 0.078 A 70 PHE H H 1 8.693 0.009 A 70 PHE HA H 1 4.817 0.002 A 70 PHE HBx H 1 2.864 0.005 A 70 PHE HBy H 1 2.864 0.005 A 70 PHE HDx H 1 7.182 0.001 A 70 PHE HDy H 1 7.182 0.001 A 70 PHE HEx H 1 7.182 0.001 A 70 PHE HEy H 1 7.182 0.001 A 70 PHE C C 13 174.491 0.001 A 70 PHE CA C 13 57.570 0.059 A 70 PHE CB C 13 41.140 0.025 A 70 PHE CDx C 13 132.083 0.003 A 70 PHE CDy C 13 132.083 0.003 A 70 PHE CEx C 13 132.042 0.000 A 70 PHE CEy C 13 132.042 0.000 A 70 PHE N N 15 125.003 0.054 A 71 THR H H 1 8.646 0.009 A 71 THR HA H 1 5.057 0.003 A 71 THR HB H 1 3.865 0.003 A 71 THR HG2% H 1 0.748 0.000 A 71 THR C C 13 173.291 0.002 A 71 THR CA C 13 61.975 0.037 A 71 THR CB C 13 70.757 0.020 A 71 THR CG2 C 13 21.810 0.000 A 71 THR N N 15 119.796 0.037 A 72 LEU H H 1 9.057 0.006 A 72 LEU HA H 1 4.949 0.003 A 72 LEU HBy H 1 1.543 0.006 A 72 LEU HBx H 1 1.295 0.004 A 72 LEU HDx% H 1 0.560 0.000 A 72 LEU HDy% H 1 0.616 0.000 A 72 LEU HG H 1 1.512 0.005 A 72 LEU C C 13 175.049 0.002 A 72 LEU CA C 13 52.729 0.028 A 72 LEU CB C 13 43.119 0.109 A 72 LEU CDy C 13 24.648 0.067 A 72 LEU CDx C 13 23.284 0.036 A 72 LEU CG C 13 27.718 0.074 A 72 LEU N N 15 126.026 0.030 A 73 HIS H H 1 8.931 0.004 A 73 HIS HA H 1 4.833 0.003 A 73 HIS HBx H 1 2.745 0.004 A 73 HIS HBy H 1 3.047 0.004 A 73 HIS HD2 H 1 6.912 0.001 A 73 HIS HE1 H 1 7.824 0.000 A 73 HIS C C 13 174.139 0.065 A 73 HIS CA C 13 56.844 0.027 A 73 HIS CB C 13 32.045 0.036 A 73 HIS CD2 C 13 118.978 0.018 A 73 HIS CE1 C 13 137.093 0.000 A 73 HIS N N 15 121.015 0.060 A 74 LEU H H 1 8.347 0.009 A 74 LEU HA H 1 5.091 0.002 A 74 LEU HBx H 1 0.693 0.016 A 74 LEU HBy H 1 1.171 0.005 A 74 LEU HDx% H 1 0.327 0.004 A 74 LEU HDy% H 1 0.327 0.004 A 74 LEU HG H 1 1.143 0.004 A 74 LEU C C 13 175.740 0.000 A 74 LEU CA C 13 53.390 0.040 A 74 LEU CB C 13 43.724 0.031 A 74 LEU CDy C 13 27.944 0.000 A 74 LEU CDx C 13 25.873 0.050 A 74 LEU CG C 13 27.555 0.024 A 74 LEU N N 15 126.217 0.043 A 75 GLU H H 1 9.206 0.003 A 75 GLU HA H 1 4.628 0.004 A 75 GLU HBy H 1 1.930 0.004 A 75 GLU HBx H 1 1.760 0.004 A 75 GLU HGx H 1 2.085 0.001 A 75 GLU HGy H 1 2.085 0.001 A 75 GLU C C 13 174.868 0.005 A 75 GLU CA C 13 54.710 0.032 A 75 GLU CB C 13 32.956 0.050 A 75 GLU CG C 13 36.349 0.026 A 75 GLU N N 15 128.073 0.041 A 76 THR H H 1 8.372 0.004 A 76 THR HA H 1 4.974 0.003 A 76 THR HB H 1 4.128 0.003 A 76 THR HG2% H 1 1.125 0.040 A 76 THR C C 13 174.564 0.006 A 76 THR CA C 13 60.177 0.074 A 76 THR CB C 13 70.539 0.021 A 76 THR CG2 C 13 21.597 0.038 A 76 THR N N 15 114.774 0.015 A 77 LYS H H 1 8.449 0.003 A 77 LYS HA H 1 4.270 0.004 A 77 LYS HBx H 1 1.599 0.003 A 77 LYS HBy H 1 1.763 0.004 A 77 LYS HDx H 1 1.590 0.000 A 77 LYS HDy H 1 1.590 0.000 A 77 LYS HEx H 1 2.889 0.000 A 77 LYS HEy H 1 2.889 0.000 A 77 LYS HGx H 1 1.299 0.011 A 77 LYS HGy H 1 1.299 0.011 A 77 LYS C C 13 175.988 0.002 A 77 LYS CA C 13 56.176 0.015 A 77 LYS CB C 13 32.989 0.104 A 77 LYS CD C 13 28.988 0.007 A 77 LYS CE C 13 42.021 0.004 A 77 LYS CG C 13 24.766 0.103 A 77 LYS N N 15 123.927 0.071 A 78 LEU H H 1 8.128 0.003 A 78 LEU HA H 1 4.283 0.003 A 78 LEU HBx H 1 1.510 0.000 A 78 LEU HBy H 1 1.510 0.000 A 78 LEU HDx% H 1 0.558 0.000 A 78 LEU HDy% H 1 0.663 0.003 A 78 LEU HG H 1 1.527 0.000 A 78 LEU C C 13 176.885 0.003 A 78 LEU CA C 13 55.002 0.017 A 78 LEU CB C 13 42.708 0.223 A 78 LEU CDy C 13 24.766 0.000 A 78 LEU CDx C 13 23.594 0.075 A 78 LEU CG C 13 27.117 0.000 A 78 LEU N N 15 122.843 0.046 A 79 ASP H H 1 8.264 0.002 A 79 ASP HA H 1 4.496 0.004 A 79 ASP HBx H 1 2.520 0.002 A 79 ASP HBy H 1 2.616 0.006 A 79 ASP C C 13 175.811 0.001 A 79 ASP CA C 13 54.408 0.064 A 79 ASP CB C 13 41.040 0.058 A 79 ASP N N 15 121.277 0.049 A 80 LEU H H 1 8.006 0.007 A 80 LEU HA H 1 4.265 0.004 A 80 LEU HBx H 1 1.546 0.003 A 80 LEU HBy H 1 1.546 0.003 A 80 LEU HDx% H 1 0.839 0.002 A 80 LEU HDy% H 1 0.839 0.002 A 80 LEU HG H 1 1.532 0.001 A 80 LEU C C 13 176.419 0.001 A 80 LEU CA C 13 55.097 0.030 A 80 LEU CB C 13 42.305 0.030 A 80 LEU CDx C 13 23.307 0.000 A 80 LEU CDy C 13 24.968 0.085 A 80 LEU CG C 13 26.894 0.084 A 80 LEU N N 15 122.298 0.056 A 81 MET H H 1 7.793 0.003 A 81 MET HA H 1 4.162 0.003 A 81 MET HBy H 1 2.002 0.004 A 81 MET HBx H 1 1.877 0.001 A 81 MET HE% H 1 2.033 0.000 A 81 MET HGx H 1 2.402 0.000 A 81 MET HGy H 1 2.451 0.000 A 81 MET C C 13 177.531 0.000 A 81 MET CA C 13 57.064 0.071 A 81 MET CB C 13 33.783 0.060 A 81 MET CE C 13 16.602 0.000 A 81 MET CG C 13 32.295 0.000 A 81 MET N N 15 125.766 0.042 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 24 LYS HA A 57 THR HA 1.0 . 3.11 2 2 A 57 THR HA A 22 SER HA 1.0 . 5.26 3 3 A 57 THR HA A 24 LYS HBy 1.0 . 5.50 4 4 A 57 THR HA A 56 LYS HBy 1.0 . 5.50 5 5 A 57 THR HA A 56 LYS HDx 1.0 . 5.35 6 5 A 57 THR HA A 56 LYS HDy 1.0 . 5.35 7 6 A 57 THR HA A 58 LEU HG 1.0 . 5.50 8 7 A 57 THR HA A 24 LYS HGx 1.0 . 4.50 9 7 A 57 THR HA A 24 LYS HGy 1.0 . 4.50 10 8 A 57 THR HA A 25 ILE HG1x 1.0 . 3.73 11 9 A 57 THR HA A 25 ILE HD1% 1.0 . 4.60 12 10 A 57 THR HA A 25 ILE H 1.0 . 4.04 13 11 A 57 THR HB A 59 SER H 1.0 . 4.04 14 12 A 57 THR HB A 58 LEU H 1.0 . 3.59 15 13 A 57 THR HB A 56 LYS HDx 1.0 . 5.50 16 13 A 56 LYS HDy A 57 THR HB 1.0 . 5.50 17 14 A 58 LEU HG A 57 THR HB 1.0 . 5.50 18 15 A 57 THR HB A 60 ASP H 1.0 . 5.26 19 16 A 24 LYS HA A 57 THR HG2% 1.0 . 3.59 20 17 A 57 THR HA A 57 THR HG2% 1.0 . 3.45 21 18 A 58 LEU H A 57 THR HG2% 1.0 . 4.24 22 19 A 59 SER H A 57 THR HG2% 1.0 . 4.74 23 20 A 57 THR HG2% A 59 SER HBy 1.0 . 4.55 24 21 A 57 THR HG2% A 24 LYS HEx 1.0 . 4.59 25 21 A 57 THR HG2% A 24 LYS HEy 1.0 . 4.59 26 22 A 57 THR HG2% A 56 LYS HDx 1.0 . 3.49 27 22 A 56 LYS HDy A 57 THR HG2% 1.0 . 3.49 28 23 A 57 THR HG2% A 24 LYS HGx 1.0 . 3.32 29 23 A 24 LYS HGy A 57 THR HG2% 1.0 . 3.32 30 24 A 57 THR HG2% A 56 LYS HBx 1.0 . 4.43 31 25 A 38 ILE HB A 38 ILE HD1% 1.0 . 3.73 32 26 A 38 ILE HB A 43 GLN HE2y 1.0 . 4.78 33 27 A 38 ILE HA A 38 ILE HG1x 1.0 . 4.10 34 27 A 38 ILE HA A 38 ILE HG1y 1.0 . 4.10 35 28 A 38 ILE HA A 38 ILE HG2% 1.0 . 3.19 36 29 A 38 ILE HA A 39 ASN HBy 1.0 . 4.72 37 30 A 38 ILE HG2% A 36 THR HB 1.0 . 4.89 38 31 A 38 ILE HG2% A 43 GLN HA 1.0 . 5.07 39 32 A 38 ILE HG2% A 43 GLN H 1.0 . 4.16 40 33 A 38 ILE HG2% A 33 PHE HD% 1.0 . 4.86 41 34 A 38 ILE H A 38 ILE HG1x 1.0 . 3.90 42 34 A 38 ILE HG1y A 38 ILE H 1.0 . 3.90 43 35 A 38 ILE HG2% A 38 ILE HG1x 1.0 . 2.83 44 35 A 38 ILE HG1y A 38 ILE HG2% 1.0 . 2.83 45 36 A 7 ILE HG1y A 32 ILE HG1x 1.0 . 3.65 46 37 A 7 ILE HG1y A 17 PHE HD% 1.0 . 4.38 47 38 A 7 ILE HG1y A 17 PHE HE% 1.0 . 4.74 48 39 A 8 GLU HGy A 12 GLY HAx 1.0 . 5.01 49 40 A 48 ALA HA A 49 GLY HAx 1.0 . 5.07 50 41 A 6 SER HA A 7 ILE H 1.0 . 3.19 51 42 A 6 SER HA A 71 THR HG2% 1.0 . 5.50 52 43 A 6 SER HA A 7 ILE HB 1.0 . 4.87 53 44 A 6 SER HA A 16 LYS HDx 1.0 . 4.52 54 44 A 6 SER HA A 16 LYS HDy 1.0 . 4.52 55 45 A 6 SER HA A 7 ILE HG1x 1.0 . 4.35 56 46 A 6 SER HA A 16 LYS HGx 1.0 . 4.55 57 46 A 6 SER HA A 16 LYS HGy 1.0 . 4.55 58 47 A 6 SER HA A 15 LEU H 1.0 . 4.93 59 48 A 6 SER HBy A 71 THR HA 1.0 . 3.92 60 49 A 71 THR HG2% A 6 SER HBy 1.0 . 4.29 61 50 A 6 SER HBy A 14 LYS HDx 1.0 . 4.82 62 50 A 6 SER HBy A 14 LYS HDy 1.0 . 4.82 63 51 A 6 SER HBy A 16 LYS HGx 1.0 . 4.82 64 51 A 16 LYS HGy A 6 SER HBy 1.0 . 4.82 65 52 A 6 SER HBy A 5 VAL HA 1.0 . 4.29 66 53 A 6 SER HBy A 72 LEU H 1.0 . 5.50 67 54 A 72 LEU H A 6 SER HBx 1.0 . 5.26 68 55 A 6 SER HBx A 14 LYS HEx 1.0 . 5.11 69 55 A 6 SER HBx A 14 LYS HEy 1.0 . 5.11 70 56 A 6 SER HBx A 14 LYS HDx 1.0 . 4.12 71 56 A 14 LYS HDy A 6 SER HBx 1.0 . 4.12 72 57 A 71 THR HA A 6 SER HBx 1.0 . 3.95 73 58 A 5 VAL HA A 6 SER HBx 1.0 . 5.40 74 59 A 76 THR HA A 77 LYS H 1.0 . 3.26 75 60 A 76 THR HA A 78 LEU H 1.0 . 5.28 76 61 A 76 THR HA A 77 LYS HA 1.0 . 4.50 77 62 A 76 THR HA A 77 LYS HEx 1.0 . 5.50 78 62 A 76 THR HA A 77 LYS HEy 1.0 . 5.50 79 63 A 76 THR HA A 77 LYS HDx 1.0 . 4.78 80 63 A 76 THR HA A 77 LYS HDy 1.0 . 4.78 81 64 A 76 THR HA A 77 LYS HGx 1.0 . 5.09 82 64 A 76 THR HA A 77 LYS HGy 1.0 . 5.09 83 65 A 76 THR HA A 76 THR HG2% 1.0 . 3.59 84 66 A 76 THR HB A 77 LYS HEx 1.0 . 5.21 85 66 A 77 LYS HEy A 76 THR HB 1.0 . 5.21 86 67 A 77 LYS H A 76 THR HB 1.0 . 3.99 87 68 A 78 LEU H A 76 THR HB 1.0 . 5.50 88 69 A 72 LEU H A 71 THR HB 1.0 . 5.14 89 70 A 6 SER HBx A 71 THR HB 1.0 . 4.84 90 71 A 71 THR HB A 70 PHE HBx 1.0 . 5.50 91 71 A 71 THR HB A 70 PHE HBy 1.0 . 5.50 92 72 A 71 THR HA A 70 PHE HBx 1.0 . 5.44 93 72 A 71 THR HA A 70 PHE HBy 1.0 . 5.44 94 73 A 71 THR HA A 72 LEU HBy 1.0 . 4.48 95 74 A 71 THR HG2% A 71 THR HA 1.0 . 3.47 96 75 A 71 THR HA A 5 VAL HB 1.0 . 5.45 97 76 A 71 THR HA A 8 GLU H 1.0 . 5.16 98 77 A 71 THR HA A 72 LEU H 1.0 . 3.08 99 78 A 36 THR HA A 37 ASN HBx 1.0 . 5.50 100 79 A 36 THR HA A 35 LYS HBx 1.0 . 4.80 101 79 A 36 THR HA A 35 LYS HBy 1.0 . 4.80 102 80 A 36 THR HA A 38 ILE HG1x 1.0 . 5.00 103 80 A 38 ILE HG1y A 36 THR HA 1.0 . 5.00 104 81 A 36 THR HA A 36 THR HG2% 1.0 . 3.25 105 82 A 36 THR HA A 15 LEU HDx% 1.0 . 5.50 106 83 A 38 ILE HD1% A 36 THR HA 1.0 . 5.50 107 84 A 36 THR HA A 37 ASN HBy 1.0 . 5.50 108 85 A 38 ILE H A 36 THR HA 1.0 . 5.34 109 86 A 36 THR HB A 38 ILE H 1.0 . 4.57 110 87 A 38 ILE HB A 36 THR HB 1.0 . 4.63 111 88 A 36 THR HB A 38 ILE HG1x 1.0 . 3.81 112 88 A 38 ILE HG1y A 36 THR HB 1.0 . 3.81 113 89 A 38 ILE HD1% A 36 THR HB 1.0 . 3.92 114 90 A 36 THR HB A 33 PHE HA 1.0 . 4.62 115 91 A 17 PHE HE% A 36 THR HG2% 1.0 . 5.02 116 92 A 67 THR HG2% A 68 GLU H 1.0 . 4.44 117 93 A 36 THR HG2% A 35 LYS HBx 1.0 . 3.38 118 93 A 35 LYS HBy A 36 THR HG2% 1.0 . 3.38 119 94 A 36 THR HG2% A 38 ILE HG1x 1.0 . 4.01 120 94 A 38 ILE HG1y A 36 THR HG2% 1.0 . 4.01 121 95 A 76 THR HG2% A 77 LYS HGx 1.0 . 3.25 122 95 A 77 LYS HGy A 76 THR HG2% 1.0 . 3.25 123 96 A 68 GLU H A 66 SER HA 1.0 . 5.00 124 97 A 21 PRO HA A 59 SER HA 1.0 . 5.50 125 98 A 59 SER H A 59 SER HBy 1.0 . 4.04 126 99 A 60 ASP H A 59 SER HBy 1.0 . 5.22 127 100 A 9 PHE HA A 74 LEU HBx 1.0 . 4.33 128 101 A 9 PHE HA A 74 LEU HDx% 1.0 . 4.49 129 101 A 9 PHE HA A 74 LEU HDy% 1.0 . 4.49 130 102 A 9 PHE HA A 74 LEU HBy 1.0 . 4.11 131 103 A 22 SER HA A 57 THR HB 1.0 . 3.68 132 104 A 22 SER HA A 57 THR HG2% 1.0 . 4.39 133 105 A 47 PHE HD% A 48 ALA HB% 1.0 . 4.71 134 106 A 48 ALA HB% A 47 PHE HE% 1.0 . 5.16 135 107 A 48 ALA HA A 49 GLY HAy 1.0 . 5.07 136 108 A 5 VAL HB A 70 PHE HD% 1.0 . 5.29 137 109 A 5 VAL HA A 6 SER H 1.0 . 3.24 138 110 A 5 VAL HA A 5 VAL HGy% 1.0 . 3.70 139 111 A 5 VAL HA A 5 VAL HGx% 1.0 . 3.70 140 112 A 43 GLN HE2y A 40 VAL HA 1.0 . 3.96 141 113 A 40 VAL HA A 43 GLN HGx 1.0 . 4.23 142 113 A 40 VAL HA A 43 GLN HGy 1.0 . 4.23 143 114 A 40 VAL HA A 43 GLN HBx 1.0 . 4.29 144 114 A 40 VAL HA A 43 GLN HBy 1.0 . 4.29 145 115 A 32 ILE HA A 32 ILE HG1y 1.0 . 3.73 146 116 A 40 VAL HA A 29 LYS HBx 1.0 . 4.00 147 117 A 36 THR HG2% A 32 ILE HA 1.0 . 4.34 148 118 A 40 VAL HA A 40 VAL HGx% 1.0 . 3.46 149 119 A 40 VAL HA A 40 VAL HGy% 1.0 . 3.46 150 120 A 40 VAL HB A 41 LYS H 1.0 . 3.78 151 121 A 41 LYS H A 40 VAL HGx% 1.0 . 4.60 152 122 A 29 LYS HGx A 40 VAL HGx% 1.0 . 4.05 153 122 A 29 LYS HGy A 40 VAL HGx% 1.0 . 4.05 154 123 A 6 SER H A 5 VAL HGx% 1.0 . 4.15 155 124 A 6 SER H A 5 VAL HGy% 1.0 . 4.15 156 125 A 78 LEU HA A 79 ASP HA 1.0 . 5.12 157 126 A 79 ASP HA A 80 LEU HA 1.0 . 5.44 158 127 A 27 ASP HA A 30 GLU HBy 1.0 . 3.61 159 128 A 38 ILE HG2% A 42 ASP HBx 1.0 . 3.88 160 129 A 77 LYS HEy A 77 LYS HGx 1.0 . 3.89 161 129 A 77 LYS HEx A 77 LYS HGx 1.0 . 3.89 162 129 A 77 LYS HGy A 77 LYS HEx 1.0 . 3.89 163 129 A 77 LYS HEy A 77 LYS HGy 1.0 . 3.89 164 130 A 24 LYS HBx A 27 ASP HBy 1.0 . 4.62 165 131 A 24 LYS HBx A 27 ASP HBx 1.0 . 4.62 166 132 A 69 GLU HA A 69 GLU HGy 1.0 . 4.04 167 133 A 69 GLU HA A 69 GLU HGx 1.0 . 4.04 168 134 A 69 GLU HA A 70 PHE H 1.0 . 3.12 169 135 A 13 GLU H A 13 GLU HGy 1.0 . 4.16 170 136 A 13 GLU H A 13 GLU HGx 1.0 . 4.16 171 137 A 13 GLU HA A 13 GLU HGx 1.0 . 3.95 172 138 A 33 PHE HD% A 30 GLU HA 1.0 . 4.77 173 139 A 30 GLU HA A 34 LYS H 1.0 . 5.09 174 140 A 30 GLU HA A 33 PHE HBx 1.0 . 3.69 175 141 A 27 ASP HA A 30 GLU HBx 1.0 . 4.17 176 142 A 30 GLU HBx A 30 GLU H 1.0 . 3.92 177 143 A 8 GLU HA A 8 GLU HGx 1.0 . 3.93 178 144 A 8 GLU HA A 14 LYS HGy 1.0 . 4.50 179 145 A 8 GLU HA A 9 PHE HBx 1.0 . 4.68 180 146 A 8 GLU HA A 14 LYS HA 1.0 . 3.61 181 147 A 8 GLU HA A 9 PHE HD% 1.0 . 4.72 182 148 A 8 GLU HA A 9 PHE H 1.0 . 3.12 183 149 A 8 GLU HGy A 14 LYS HDx 1.0 . 4.17 184 149 A 8 GLU HGy A 14 LYS HDy 1.0 . 4.17 185 150 A 9 PHE HA A 8 GLU HGx 1.0 . 4.80 186 151 A 8 GLU HGx A 14 LYS HGy 1.0 . 4.45 187 152 A 46 LYS HA A 51 GLU HA 1.0 . 3.64 188 153 A 51 GLU HA A 46 LYS HGx 1.0 . 3.92 189 154 A 51 GLU HA A 46 LYS HGy 1.0 . 3.92 190 155 A 13 GLU HA A 13 GLU HGy 1.0 . 3.95 191 156 A 12 GLY HAx A 8 GLU HGx 1.0 . 4.54 192 157 A 75 GLU HA A 75 GLU HGx 1.0 . 3.68 193 157 A 75 GLU HA A 75 GLU HGy 1.0 . 3.68 194 158 A 75 GLU HA A 74 LEU HG 1.0 . 4.61 195 159 A 76 THR HG2% A 75 GLU HA 1.0 . 5.06 196 160 A 75 GLU HA A 76 THR H 1.0 . 3.25 197 161 A 44 SER HBx A 75 GLU HBx 1.0 . 3.94 198 161 A 44 SER HBy A 75 GLU HBx 1.0 . 3.94 199 162 A 28 ILE HB A 29 LYS HEx 1.0 . 5.10 200 162 A 28 ILE HB A 29 LYS HEy 1.0 . 5.10 201 163 A 72 LEU H A 7 ILE HA 1.0 . 4.06 202 164 A 8 GLU H A 7 ILE HA 1.0 . 3.16 203 165 A 72 LEU HBy A 7 ILE HA 1.0 . 4.09 204 166 A 71 THR HG2% A 7 ILE HA 1.0 . 4.59 205 167 A 7 ILE HA A 7 ILE HD1% 1.0 . 3.71 206 168 A 7 ILE HA A 7 ILE HG2% 1.0 . 3.53 207 169 A 7 ILE HB A 14 LYS HBy 1.0 . 4.56 208 170 A 7 ILE HB A 15 LEU HDx% 1.0 . 5.33 209 171 A 7 ILE HB A 32 ILE HD1% 1.0 . 5.50 210 172 A 17 PHE HE% A 7 ILE HB 1.0 . 4.61 211 173 A 7 ILE HG1y A 7 ILE H 1.0 . 4.36 212 174 A 17 PHE HD% A 7 ILE HG1x 1.0 . 4.37 213 175 A 17 PHE HE% A 7 ILE HG1x 1.0 . 4.93 214 176 A 17 PHE HD% A 7 ILE HD1% 1.0 . 4.60 215 177 A 72 LEU H A 7 ILE HD1% 1.0 . 4.43 216 178 A 6 SER HA A 7 ILE HD1% 1.0 . 4.87 217 179 A 6 SER HBx A 7 ILE HD1% 1.0 . 5.06 218 180 A 7 ILE HB A 7 ILE HD1% 1.0 . 3.95 219 181 A 5 VAL HB A 7 ILE HD1% 1.0 . 4.15 220 182 A 72 LEU HBy A 7 ILE HD1% 1.0 . 3.29 221 183 A 7 ILE HD1% A 32 ILE HD1% 1.0 . 3.54 222 184 A 7 ILE HD1% A 7 ILE HG2% 1.0 . 3.05 223 185 A 25 ILE HA A 28 ILE H 1.0 . 4.43 224 186 A 28 ILE HB A 25 ILE HA 1.0 . 4.31 225 187 A 25 ILE HA A 28 ILE HG1y 1.0 . 4.22 226 188 A 25 ILE HA A 28 ILE HG1x 1.0 . 4.22 227 189 A 25 ILE HA A 25 ILE HG2% 1.0 . 3.39 228 190 A 38 ILE HD1% A 43 GLN HGx 1.0 . 5.50 229 190 A 38 ILE HD1% A 43 GLN HGy 1.0 . 5.50 230 191 A 29 LYS HBy A 43 GLN HGx 1.0 . 5.08 231 191 A 43 GLN HGy A 29 LYS HBy 1.0 . 5.08 232 192 A 25 ILE HG1y A 61 TYR HBx 1.0 . 5.50 233 193 A 25 ILE HG1y A 61 TYR HE% 1.0 . 4.70 234 194 A 58 LEU HG A 25 ILE HG1x 1.0 . 4.38 235 195 A 25 ILE HG1x A 61 TYR HE% 1.0 . 4.95 236 196 A 28 ILE HB A 25 ILE HG2% 1.0 . 4.29 237 197 A 25 ILE HG2% A 52 MET HBy 1.0 . 3.93 238 198 A 25 ILE HG2% A 52 MET HBx 1.0 . 3.93 239 199 A 25 ILE HG2% A 28 ILE HG1y 1.0 . 4.31 240 200 A 25 ILE HG1x A 25 ILE HG2% 1.0 . 3.24 241 201 A 25 ILE HG2% A 28 ILE HG1x 1.0 . 4.31 242 202 A 24 LYS HBy A 25 ILE HG2% 1.0 . 5.50 243 203 A 56 LYS HBy A 25 ILE HG2% 1.0 . 5.50 244 204 A 44 SER HBy A 75 GLU HGx 1.0 . 4.13 245 204 A 75 GLU HGy A 44 SER HBx 1.0 . 4.13 246 204 A 75 GLU HGy A 44 SER HBy 1.0 . 4.13 247 204 A 44 SER HBx A 75 GLU HGx 1.0 . 4.13 248 205 A 75 GLU HBy A 44 SER HBx 1.0 . 3.94 249 205 A 44 SER HBy A 75 GLU HBy 1.0 . 3.94 250 206 A 28 ILE HA A 28 ILE HG1y 1.0 . 3.92 251 207 A 28 ILE HA A 28 ILE HG1x 1.0 . 3.92 252 208 A 32 ILE HD1% A 28 ILE HA 1.0 . 4.64 253 209 A 28 ILE HA A 28 ILE HG2% 1.0 . 3.61 254 210 A 28 ILE HA A 28 ILE HD1% 1.0 . 3.74 255 211 A 75 GLU H A 44 SER HBx 1.0 . 4.34 256 211 A 44 SER HBy A 75 GLU H 1.0 . 4.34 257 212 A 28 ILE HB A 32 ILE HD1% 1.0 . 4.58 258 213 A 32 ILE HG1y A 28 ILE HG2% 1.0 . 3.93 259 214 A 28 ILE HG2% A 31 MET HE% 1.0 . 3.85 260 215 A 28 ILE HG2% A 28 ILE HG1y 1.0 . 3.56 261 216 A 28 ILE HG2% A 28 ILE HG1x 1.0 . 3.56 262 217 A 28 ILE HD1% A 31 MET HE% 1.0 . 3.46 263 218 A 28 ILE HD1% A 19 VAL HB 1.0 . 4.20 264 219 A 28 ILE HB A 28 ILE HD1% 1.0 . 3.75 265 220 A 28 ILE HD1% A 23 HIS HBy 1.0 . 4.99 266 221 A 28 ILE HD1% A 23 HIS HBx 1.0 . 4.31 267 222 A 32 ILE HA A 35 LYS HBx 1.0 . 3.93 268 222 A 35 LYS HBy A 32 ILE HA 1.0 . 3.93 269 223 A 7 ILE HG2% A 32 ILE HD1% 1.0 . 3.28 270 224 A 7 ILE HG1y A 32 ILE HD1% 1.0 . 3.78 271 225 A 32 ILE HD1% A 29 LYS HGx 1.0 . 3.89 272 225 A 29 LYS HGy A 32 ILE HD1% 1.0 . 3.89 273 226 A 32 ILE HD1% A 32 ILE HB 1.0 . 3.65 274 227 A 30 GLU H A 32 ILE HD1% 1.0 . 4.96 275 228 A 32 ILE HG1x A 7 ILE HG2% 1.0 . 4.60 276 229 A 32 ILE HG1x A 32 ILE HG2% 1.0 . 3.56 277 230 A 32 ILE HG1x A 7 ILE HG1x 1.0 . 5.02 278 231 A 32 ILE HG1x A 36 THR HG2% 1.0 . 5.32 279 232 A 32 ILE HG1x A 32 ILE HA 1.0 . 4.10 280 233 A 38 ILE HD1% A 38 ILE HA 1.0 . 3.97 281 234 A 53 ILE HA A 53 ILE HD1% 1.0 . 3.89 282 235 A 78 LEU HG A 43 GLN HBx 1.0 . 3.64 283 235 A 43 GLN HBy A 78 LEU HG 1.0 . 3.64 284 236 A 53 ILE HD1% A 53 ILE HB 1.0 . 3.49 285 237 A 64 ILE HA A 21 PRO HBx 1.0 . 4.60 286 238 A 64 ILE HA A 21 PRO HBy 1.0 . 4.60 287 239 A 64 ILE HB A 64 ILE HD1% 1.0 . 3.38 288 240 A 63 ILE HA A 63 ILE HG2% 1.0 . 3.45 289 241 A 63 ILE HA A 63 ILE HD1% 1.0 . 4.50 290 242 A 63 ILE HA A 70 PHE HE% 1.0 . 4.60 291 243 A 58 LEU HDy% A 63 ILE HB 1.0 . 4.58 292 244 A 70 PHE HD% A 63 ILE HG1x 1.0 . 5.50 293 244 A 70 PHE HD% A 63 ILE HG1y 1.0 . 5.50 294 245 A 70 PHE HE% A 63 ILE HG1x 1.0 . 5.50 295 245 A 70 PHE HE% A 63 ILE HG1y 1.0 . 5.50 296 246 A 63 ILE HA A 63 ILE HG1x 1.0 . 4.02 297 246 A 63 ILE HA A 63 ILE HG1y 1.0 . 4.02 298 247 A 63 ILE HD1% A 61 TYR HBy 1.0 . 4.35 299 248 A 61 TYR HBx A 63 ILE HD1% 1.0 . 4.37 300 249 A 63 ILE HD1% A 63 ILE HB 1.0 . 3.70 301 250 A 63 ILE HD1% A 72 LEU HDx% 1.0 . 4.47 302 251 A 63 ILE HD1% A 58 LEU HDy% 1.0 . 3.45 303 252 A 63 ILE HG2% A 63 ILE HD1% 1.0 . 2.80 304 253 A 47 PHE HD% A 63 ILE HD1% 1.0 . 4.47 305 254 A 63 ILE HD1% A 61 TYR HD% 1.0 . 4.99 306 255 A 3 MET HA A 4 GLN H 1.0 . 3.06 307 256 A 3 MET HA A 3 MET HGy 1.0 . 4.05 308 257 A 3 MET HA A 3 MET HGx 1.0 . 4.05 309 258 A 35 LYS HEy A 35 LYS HBx 1.0 . 5.08 310 258 A 35 LYS HBy A 35 LYS HEy 1.0 . 5.08 311 259 A 35 LYS HBy A 35 LYS HEx 1.0 . 5.08 312 259 A 35 LYS HBx A 35 LYS HEx 1.0 . 5.08 313 260 A 19 VAL HGx% A 3 MET HGx 1.0 . 4.41 314 261 A 19 VAL HGx% A 3 MET HGy 1.0 . 4.41 315 262 A 52 MET HA A 52 MET HGx 1.0 . 4.14 316 263 A 52 MET HA A 52 MET HGy 1.0 . 4.14 317 264 A 46 LYS HA A 52 MET HGy 1.0 . 4.53 318 265 A 52 MET H A 52 MET HGy 1.0 . 4.29 319 266 A 29 LYS HBy A 40 VAL HGx% 1.0 . 3.91 320 267 A 19 VAL HB A 20 GLN H 1.0 . 4.19 321 268 A 8 GLU HGy A 71 THR HG2% 1.0 . 3.80 322 269 A 19 VAL HGx% A 3 MET HE% 1.0 . 4.05 323 270 A 19 VAL HGx% A 20 GLN H 1.0 . 4.22 324 271 A 19 VAL HGx% A 19 VAL HA 1.0 . 4.20 325 272 A 28 ILE HD1% A 19 VAL HGx% 1.0 . 3.12 326 273 A 19 VAL HA A 19 VAL HGy% 1.0 . 3.52 327 274 A 19 VAL HGy% A 19 VAL H 1.0 . 4.09 328 275 A 19 VAL HGx% A 4 GLN HA 1.0 . 4.19 329 276 A 56 LYS HBy A 61 TYR HE% 1.0 . 4.02 330 277 A 22 SER H A 20 GLN HBy 1.0 . 4.33 331 278 A 43 GLN HA A 43 GLN HGx 1.0 . 4.04 332 278 A 43 GLN HA A 43 GLN HGy 1.0 . 4.04 333 279 A 43 GLN HA A 78 LEU HG 1.0 . 3.72 334 280 A 34 LYS HBy A 35 LYS H 1.0 . 4.03 335 281 A 38 ILE HG2% A 43 GLN HGx 1.0 . 3.78 336 281 A 38 ILE HG2% A 43 GLN HGy 1.0 . 3.78 337 282 A 55 GLN HA A 55 GLN HGx 1.0 . 3.53 338 282 A 55 GLN HA A 55 GLN HGy 1.0 . 3.53 339 283 A 11 ASN HA A 12 GLY HAy 1.0 . 4.64 340 284 A 19 VAL HB A 18 ASN HA 1.0 . 4.76 341 285 A 19 VAL HGy% A 18 ASN HA 1.0 . 5.50 342 286 A 26 LEU HBy A 54 ASN HBx 1.0 . 4.97 343 287 A 26 LEU HBx A 54 ASN HBx 1.0 . 4.97 344 288 A 36 THR H A 37 ASN HA 1.0 . 5.06 345 289 A 33 PHE HD% A 37 ASN HA 1.0 . 4.32 346 290 A 37 ASN HA A 33 PHE HE% 1.0 . 4.71 347 291 A 33 PHE HBy A 39 ASN HA 1.0 . 4.94 348 292 A 33 PHE HD% A 39 ASN HA 1.0 . 3.77 349 293 A 39 ASN HBy A 40 VAL H 1.0 . 4.70 350 294 A 50 ASN H A 50 ASN HBx 1.0 . 4.08 351 295 A 25 ILE HG2% A 54 ASN HA 1.0 . 3.48 352 296 A 54 ASN HA A 25 ILE HB 1.0 . 3.20 353 297 A 10 GLN HA A 10 GLN HGy 1.0 . 4.23 354 298 A 10 GLN HA A 10 GLN HGx 1.0 . 4.23 355 299 A 9 PHE HBy A 10 GLN HBx 1.0 . 4.69 356 299 A 9 PHE HBy A 10 GLN HBy 1.0 . 4.69 357 300 A 14 LYS HA A 9 PHE HD% 1.0 . 4.57 358 301 A 7 ILE HB A 14 LYS HA 1.0 . 4.88 359 302 A 14 LYS HGy A 14 LYS HA 1.0 . 4.15 360 303 A 14 LYS HA A 14 LYS HGx 1.0 . 3.95 361 304 A 15 LEU H A 14 LYS HBy 1.0 . 4.07 362 305 A 8 GLU HA A 14 LYS HBy 1.0 . 4.89 363 306 A 13 GLU HA A 14 LYS HBx 1.0 . 4.69 364 307 A 6 SER HBx A 14 LYS HBy 1.0 . 4.80 365 308 A 8 GLU HGy A 14 LYS HBy 1.0 . 5.50 366 309 A 8 GLU HGx A 14 LYS HGx 1.0 . 4.61 367 310 A 14 LYS HGx A 14 LYS HEx 1.0 . 3.98 368 310 A 14 LYS HEy A 14 LYS HGx 1.0 . 3.98 369 311 A 8 GLU HA A 14 LYS HGx 1.0 . 4.05 370 312 A 13 GLU HA A 14 LYS HGx 1.0 . 5.31 371 313 A 42 ASP HA A 41 LYS HDx 1.0 . 5.41 372 313 A 41 LYS HDy A 42 ASP HA 1.0 . 5.41 373 314 A 14 LYS HGy A 14 LYS HDx 1.0 . 3.00 374 314 A 14 LYS HDy A 14 LYS HGy 1.0 . 3.00 375 315 A 16 LYS HEy A 16 LYS HBy 1.0 . 5.18 376 315 A 16 LYS HBy A 16 LYS HEx 1.0 . 5.18 377 316 A 16 LYS HEy A 16 LYS HBx 1.0 . 5.18 378 316 A 16 LYS HBx A 16 LYS HEx 1.0 . 5.18 379 317 A 16 LYS HA A 16 LYS HGx 1.0 . 3.64 380 317 A 16 LYS HGy A 16 LYS HA 1.0 . 3.64 381 318 A 15 LEU HA A 16 LYS HGx 1.0 . 4.72 382 318 A 16 LYS HGy A 15 LEU HA 1.0 . 4.72 383 319 A 16 LYS H A 16 LYS HGx 1.0 . 4.14 384 319 A 16 LYS HGy A 16 LYS H 1.0 . 4.14 385 320 A 16 LYS HDy A 16 LYS HGx 1.0 . 2.92 386 320 A 16 LYS HDx A 16 LYS HGx 1.0 . 2.92 387 320 A 16 LYS HGy A 16 LYS HDx 1.0 . 2.92 388 320 A 16 LYS HDy A 16 LYS HGy 1.0 . 2.92 389 321 A 16 LYS HA A 16 LYS HDx 1.0 . 4.34 390 321 A 16 LYS HDy A 16 LYS HA 1.0 . 4.34 391 322 A 51 GLU HGy A 46 LYS HDx 1.0 . 4.97 392 322 A 46 LYS HDx A 51 GLU HGx 1.0 . 4.97 393 323 A 51 GLU HGy A 46 LYS HDy 1.0 . 4.97 394 323 A 46 LYS HDy A 51 GLU HGx 1.0 . 4.97 395 324 A 6 SER HA A 16 LYS HEx 1.0 . 5.50 396 324 A 6 SER HA A 16 LYS HEy 1.0 . 5.50 397 325 A 16 LYS HEy A 16 LYS HGx 1.0 . 3.48 398 325 A 16 LYS HEx A 16 LYS HGx 1.0 . 3.48 399 325 A 16 LYS HGy A 16 LYS HEx 1.0 . 3.48 400 325 A 16 LYS HGy A 16 LYS HEy 1.0 . 3.48 401 326 A 53 ILE HG2% A 56 LYS HEx 1.0 . 4.88 402 326 A 53 ILE HG2% A 56 LYS HEy 1.0 . 4.88 403 327 A 33 PHE HBx A 34 LYS HA 1.0 . 4.58 404 328 A 34 LYS HA A 34 LYS HDx 1.0 . 4.84 405 329 A 34 LYS HA A 34 LYS HDy 1.0 . 4.84 406 330 A 34 LYS HA A 34 LYS HGx 1.0 . 4.04 407 331 A 34 LYS HBy A 31 MET HA 1.0 . 4.25 408 332 A 57 THR HA A 58 LEU HA 1.0 . 5.26 409 333 A 34 LYS HA A 34 LYS HGy 1.0 . 4.04 410 334 A 56 LYS HBy A 56 LYS HDx 1.0 . 3.53 411 334 A 56 LYS HBy A 56 LYS HDy 1.0 . 3.53 412 335 A 34 LYS HBy A 34 LYS HEx 1.0 . 4.27 413 335 A 34 LYS HBy A 34 LYS HEy 1.0 . 4.27 414 336 A 35 LYS HA A 35 LYS HEy 1.0 . 5.50 415 337 A 35 LYS HA A 35 LYS HEx 1.0 . 5.50 416 338 A 17 PHE HE% A 35 LYS HBx 1.0 . 4.67 417 338 A 17 PHE HE% A 35 LYS HBy 1.0 . 4.67 418 339 A 15 LEU HDx% A 35 LYS HDx 1.0 . 4.43 419 340 A 17 PHE HE% A 35 LYS HDx 1.0 . 5.50 420 341 A 76 THR HG2% A 77 LYS HEx 1.0 . 4.56 421 341 A 77 LYS HEy A 76 THR HG2% 1.0 . 4.56 422 342 A 38 ILE HG2% A 42 ASP HBy 1.0 . 3.88 423 343 A 34 LYS HA A 34 LYS HEx 1.0 . 4.08 424 343 A 34 LYS HA A 34 LYS HEy 1.0 . 4.08 425 344 A 40 VAL HB A 43 GLN HGx 1.0 . 5.50 426 344 A 43 GLN HGy A 40 VAL HB 1.0 . 5.50 427 345 A 77 LYS H A 77 LYS HGx 1.0 . 4.83 428 345 A 77 LYS H A 77 LYS HGy 1.0 . 4.83 429 346 A 6 SER HBy A 14 LYS HEx 1.0 . 5.16 430 346 A 6 SER HBy A 14 LYS HEy 1.0 . 5.16 431 347 A 73 HIS HBy A 46 LYS HEx 1.0 . 3.62 432 347 A 46 LYS HEy A 73 HIS HBy 1.0 . 3.62 433 348 A 46 LYS HEy A 51 GLU HGx 1.0 . 4.23 434 348 A 46 LYS HEx A 51 GLU HGx 1.0 . 4.23 435 348 A 51 GLU HGy A 46 LYS HEx 1.0 . 4.23 436 348 A 51 GLU HGy A 46 LYS HEy 1.0 . 4.23 437 349 A 46 LYS HBy A 46 LYS HEx 1.0 . 3.57 438 349 A 46 LYS HEy A 46 LYS HBy 1.0 . 3.57 439 350 A 14 LYS HBx A 14 LYS HEx 1.0 . 3.34 440 350 A 14 LYS HEy A 14 LYS HBx 1.0 . 3.34 441 351 A 14 LYS HGy A 14 LYS HEx 1.0 . 3.63 442 351 A 14 LYS HEy A 14 LYS HGy 1.0 . 3.63 443 352 A 46 LYS HA A 52 MET HGx 1.0 . 4.53 444 353 A 46 LYS HA A 52 MET H 1.0 . 4.17 445 354 A 46 LYS HA A 47 PHE H 1.0 . 3.24 446 355 A 46 LYS HBx A 73 HIS HBx 1.0 . 4.77 447 356 A 46 LYS HBy A 49 GLY H 1.0 . 5.50 448 357 A 46 LYS HBy A 73 HIS H 1.0 . 4.46 449 358 A 17 PHE HE% A 15 LEU HDx% 1.0 . 3.88 450 359 A 15 LEU HDx% A 35 LYS HBx 1.0 . 3.65 451 359 A 35 LYS HBy A 15 LEU HDx% 1.0 . 3.65 452 360 A 15 LEU HDx% A 35 LYS HDy 1.0 . 4.43 453 361 A 15 LEU HDx% A 15 LEU HBy 1.0 . 3.49 454 362 A 56 LYS HA A 57 THR H 1.0 . 3.38 455 363 A 56 LYS HA A 56 LYS HDx 1.0 . 4.50 456 363 A 56 LYS HDy A 56 LYS HA 1.0 . 4.50 457 364 A 56 LYS HA A 56 LYS HGy 1.0 . 3.79 458 365 A 56 LYS HA A 56 LYS HGx 1.0 . 3.61 459 366 A 57 THR HG2% A 56 LYS HA 1.0 . 4.35 460 367 A 56 LYS HBx A 61 TYR HE% 1.0 . 4.05 461 368 A 7 ILE HB A 15 LEU HG 1.0 . 4.71 462 369 A 53 ILE HG2% A 56 LYS HGy 1.0 . 4.43 463 370 A 17 PHE HE% A 15 LEU HG 1.0 . 4.55 464 371 A 78 LEU H A 77 LYS HA 1.0 . 3.39 465 372 A 51 GLU HA A 52 MET HA 1.0 . 4.41 466 373 A 77 LYS HA A 77 LYS HDx 1.0 . 4.02 467 373 A 77 LYS HA A 77 LYS HDy 1.0 . 4.02 468 374 A 77 LYS HA A 77 LYS HGx 1.0 . 3.73 469 374 A 77 LYS HA A 77 LYS HGy 1.0 . 3.73 470 375 A 15 LEU HA A 15 LEU HG 1.0 . 4.13 471 376 A 15 LEU HA A 16 LYS H 1.0 . 3.12 472 377 A 15 LEU H A 15 LEU HBy 1.0 . 4.07 473 378 A 17 PHE HE% A 15 LEU HBy 1.0 . 4.11 474 379 A 7 ILE HB A 15 LEU HBy 1.0 . 4.00 475 380 A 7 ILE HB A 15 LEU HBx 1.0 . 5.08 476 381 A 17 PHE HE% A 15 LEU HBx 1.0 . 4.40 477 382 A 15 LEU HBx A 15 LEU HDy% 1.0 . 3.57 478 383 A 15 LEU HDx% A 15 LEU HBx 1.0 . 3.85 479 384 A 45 LEU HBx A 45 LEU HDy% 1.0 . 4.04 480 385 A 15 LEU HA A 15 LEU HDy% 1.0 . 3.25 481 386 A 17 PHE HE% A 15 LEU HDy% 1.0 . 4.49 482 387 A 15 LEU HBy A 15 LEU HDy% 1.0 . 3.19 483 388 A 73 HIS H A 72 LEU HA 1.0 . 3.28 484 389 A 47 PHE HD% A 72 LEU HA 1.0 . 4.69 485 390 A 72 LEU HBy A 7 ILE HG2% 1.0 . 4.52 486 391 A 72 LEU H A 72 LEU HG 1.0 . 4.23 487 392 A 70 PHE HD% A 72 LEU HDx% 1.0 . 5.46 488 393 A 72 LEU HA A 72 LEU HDx% 1.0 . 4.64 489 394 A 72 LEU HBx A 72 LEU HDx% 1.0 . 3.47 490 395 A 72 LEU HA A 72 LEU HDy% 1.0 . 4.64 491 396 A 70 PHE HD% A 72 LEU HDy% 1.0 . 5.46 492 397 A 63 ILE HD1% A 72 LEU HDy% 1.0 . 4.47 493 398 A 72 LEU HBx A 72 LEU HDy% 1.0 . 3.47 494 399 A 74 LEU HA A 74 LEU HDx% 1.0 . 4.04 495 399 A 74 LEU HDy% A 74 LEU HA 1.0 . 4.04 496 400 A 75 GLU H A 74 LEU HA 1.0 . 3.14 497 401 A 74 LEU HBx A 74 LEU HDx% 1.0 . 3.51 498 401 A 74 LEU HBx A 74 LEU HDy% 1.0 . 3.51 499 402 A 74 LEU HBy A 74 LEU HDx% 1.0 . 3.53 500 402 A 74 LEU HDy% A 74 LEU HBy 1.0 . 3.53 501 403 A 74 LEU HBy A 73 HIS HA 1.0 . 5.23 502 404 A 54 ASN HA A 26 LEU HBy 1.0 . 4.85 503 405 A 43 GLN HA A 78 LEU HBx 1.0 . 5.03 504 405 A 43 GLN HA A 78 LEU HBy 1.0 . 5.03 505 406 A 27 ASP H A 26 LEU HBy 1.0 . 4.50 506 407 A 43 GLN HBy A 78 LEU HBx 1.0 . 4.12 507 407 A 78 LEU HBy A 43 GLN HBx 1.0 . 4.12 508 407 A 43 GLN HBy A 78 LEU HBy 1.0 . 4.12 509 407 A 43 GLN HBx A 78 LEU HBx 1.0 . 4.12 510 408 A 54 ASN HBy A 26 LEU HBy 1.0 . 4.97 511 409 A 78 LEU HG A 43 GLN HGx 1.0 . 4.63 512 409 A 43 GLN HGy A 78 LEU HG 1.0 . 4.63 513 410 A 9 PHE HBx A 10 GLN H 1.0 . 4.63 514 411 A 9 PHE H A 9 PHE HBy 1.0 . 3.91 515 412 A 13 GLU H A 9 PHE HBy 1.0 . 4.54 516 413 A 57 THR HB A 58 LEU HA 1.0 . 4.98 517 414 A 21 PRO HA A 58 LEU HBx 1.0 . 4.32 518 415 A 58 LEU HDx% A 58 LEU HBx 1.0 . 3.87 519 416 A 63 ILE HG2% A 58 LEU HBx 1.0 . 4.66 520 417 A 21 PRO HA A 58 LEU HBy 1.0 . 4.32 521 418 A 58 LEU HDx% A 58 LEU HBy 1.0 . 3.87 522 419 A 45 LEU HA A 45 LEU HG 1.0 . 4.22 523 420 A 45 LEU HA A 46 LYS H 1.0 . 3.16 524 421 A 45 LEU HBy A 45 LEU HDy% 1.0 . 4.04 525 422 A 29 LYS HA A 45 LEU HDx% 1.0 . 5.46 526 423 A 45 LEU HDx% A 45 LEU HBy 1.0 . 4.04 527 424 A 45 LEU HDx% A 45 LEU HBx 1.0 . 4.04 528 425 A 44 SER HA A 45 LEU H 1.0 . 3.19 529 426 A 27 ASP HA A 28 ILE HA 1.0 . 5.04 530 427 A 43 GLN HA A 44 SER HBx 1.0 . 4.55 531 427 A 43 GLN HA A 44 SER HBy 1.0 . 4.55 532 428 A 24 LYS HBx A 23 HIS HA 1.0 . 4.42 533 429 A 22 SER H A 23 HIS HA 1.0 . 4.86 534 430 A 30 GLU HA A 33 PHE HBy 1.0 . 4.08 535 431 A 33 PHE HBy A 33 PHE H 1.0 . 3.87 536 432 A 43 GLN HE2y A 33 PHE HBy 1.0 . 4.35 537 433 A 47 PHE HD% A 47 PHE HA 1.0 . 3.84 538 434 A 6 SER HA A 5 VAL HA 1.0 . 4.48 539 435 A 70 PHE HD% A 70 PHE HA 1.0 . 4.02 540 436 A 70 PHE HA A 71 THR H 1.0 . 3.17 541 437 A 19 VAL HB A 23 HIS HBy 1.0 . 5.50 542 438 A 23 HIS HBy A 58 LEU HDx% 1.0 . 4.34 543 439 A 23 HIS HBy A 19 VAL HGy% 1.0 . 4.28 544 440 A 23 HIS HBx A 58 LEU HDx% 1.0 . 4.58 545 441 A 23 HIS HBx A 19 VAL HGy% 1.0 . 4.27 546 442 A 24 LYS HBx A 23 HIS HBx 1.0 . 4.67 547 443 A 24 LYS HBy A 23 HIS HBx 1.0 . 4.82 548 444 A 24 LYS HBx A 23 HIS HBy 1.0 . 5.47 549 445 A 31 MET HE% A 23 HIS HBy 1.0 . 5.50 550 446 A 73 HIS HA A 74 LEU H 1.0 . 3.14 551 447 A 71 THR HG2% A 73 HIS HBx 1.0 . 5.50 552 448 A 46 LYS HBy A 73 HIS HBx 1.0 . 3.91 553 449 A 73 HIS HBx A 72 LEU HBx 1.0 . 5.50 554 450 A 73 HIS HBy A 46 LYS HBy 1.0 . 4.26 555 451 A 73 HIS HBy A 46 LYS HBx 1.0 . 4.95 556 452 A 17 PHE HD% A 17 PHE HA 1.0 . 3.92 557 453 A 17 PHE HA A 18 ASN H 1.0 . 3.44 558 454 A 18 ASN HA A 17 PHE HA 1.0 . 4.78 559 455 A 7 ILE HG1x A 17 PHE HBx 1.0 . 5.50 560 456 A 43 GLN HBy A 74 LEU HDx% 1.0 . 4.91 561 456 A 43 GLN HBx A 74 LEU HDx% 1.0 . 4.91 562 456 A 74 LEU HDy% A 43 GLN HBx 1.0 . 4.91 563 456 A 74 LEU HDy% A 43 GLN HBy 1.0 . 4.91 564 457 A 31 MET HA A 31 MET HGx 1.0 . 4.08 565 458 A 43 GLN HE2y A 33 PHE HBx 1.0 . 4.82 566 459 A 61 TYR HBx A 63 ILE HG1x 1.0 . 4.69 567 459 A 61 TYR HBx A 63 ILE HG1y 1.0 . 4.69 568 460 A 67 THR HG2% A 67 THR HA 1.0 . 3.30 569 461 A 68 GLU H A 67 THR HB 1.0 . 5.04 570 462 A 77 LYS H A 77 LYS HEx 1.0 . 4.90 571 462 A 77 LYS H A 77 LYS HEy 1.0 . 4.90 572 463 A 29 LYS HA A 32 ILE H 1.0 . 4.67 573 464 A 29 LYS HA A 43 GLN HE2x 1.0 . 4.50 574 465 A 32 ILE HB A 29 LYS HA 1.0 . 3.69 575 466 A 29 LYS HA A 29 LYS HGx 1.0 . 3.64 576 466 A 29 LYS HGy A 29 LYS HA 1.0 . 3.64 577 467 A 32 ILE HD1% A 29 LYS HA 1.0 . 3.47 578 468 A 28 ILE HG2% A 29 LYS HA 1.0 . 4.27 579 469 A 29 LYS HA A 45 LEU HDy% 1.0 . 5.46 580 470 A 32 ILE HA A 29 LYS HA 1.0 . 5.50 581 471 A 40 VAL HA A 29 LYS HA 1.0 . 5.50 582 472 A 40 VAL HB A 29 LYS HDx 1.0 . 4.64 583 472 A 40 VAL HB A 29 LYS HDy 1.0 . 4.64 584 473 A 53 ILE HD1% A 53 ILE HG2% 1.0 . 2.95 585 474 A 53 ILE HG2% A 53 ILE HG1x 1.0 . 3.38 586 475 A 53 ILE HG2% A 53 ILE HG1y 1.0 . 3.38 587 476 A 53 ILE HA A 53 ILE HG2% 1.0 . 3.53 588 477 A 24 LYS HA A 24 LYS HGx 1.0 . 3.87 589 477 A 24 LYS HA A 24 LYS HGy 1.0 . 3.87 590 478 A 24 LYS HA A 25 ILE H 1.0 . 3.49 591 479 A 24 LYS HBx A 24 LYS HGx 1.0 . 2.78 592 479 A 24 LYS HGy A 24 LYS HBx 1.0 . 2.78 593 480 A 24 LYS HBy A 24 LYS HDx 1.0 . 3.97 594 480 A 24 LYS HBy A 24 LYS HDy 1.0 . 3.97 595 481 A 24 LYS HEx A 24 LYS HGx 1.0 . 3.77 596 481 A 24 LYS HEy A 24 LYS HGx 1.0 . 3.77 597 481 A 24 LYS HGy A 24 LYS HEx 1.0 . 3.77 598 481 A 24 LYS HGy A 24 LYS HEy 1.0 . 3.77 599 482 A 29 LYS HBy A 26 LEU HA 1.0 . 3.87 600 483 A 26 LEU HBx A 54 ASN HBy 1.0 . 4.97 601 484 A 63 ILE HG2% A 5 VAL HGy% 1.0 . 4.77 602 485 A 63 ILE HG2% A 58 LEU HDx% 1.0 . 5.03 603 486 A 63 ILE HG2% A 5 VAL HGx% 1.0 . 4.77 604 487 A 63 ILE HG2% A 58 LEU HDy% 1.0 . 3.66 605 488 A 63 ILE HG2% A 58 LEU HBy 1.0 . 4.66 606 489 A 63 ILE HG2% A 70 PHE HBx 1.0 . 4.17 607 489 A 70 PHE HBy A 63 ILE HG2% 1.0 . 4.17 608 490 A 70 PHE HD% A 63 ILE HG2% 1.0 . 4.24 609 491 A 63 ILE HG2% A 70 PHE HE% 1.0 . 4.58 610 492 A 25 ILE HD1% A 63 ILE HD1% 1.0 . 4.78 611 493 A 25 ILE HD1% A 63 ILE HG1x 1.0 . 4.23 612 493 A 25 ILE HD1% A 63 ILE HG1y 1.0 . 4.23 613 494 A 25 ILE HD1% A 52 MET HE% 1.0 . 3.86 614 495 A 58 LEU HG A 25 ILE HD1% 1.0 . 3.78 615 496 A 25 ILE HD1% A 25 ILE HB 1.0 . 4.05 616 497 A 56 LYS HBy A 25 ILE HD1% 1.0 . 4.86 617 498 A 25 ILE HD1% A 61 TYR HD% 1.0 . 4.07 618 499 A 25 ILE HD1% A 61 TYR HE% 1.0 . 4.10 619 500 A 25 ILE HD1% A 58 LEU HA 1.0 . 3.97 620 501 A 25 ILE HD1% A 25 ILE HA 1.0 . 3.26 621 502 A 24 LYS HA A 25 ILE HD1% 1.0 . 4.69 622 503 A 7 ILE H A 7 ILE HG2% 1.0 . 4.40 623 504 A 72 LEU H A 7 ILE HG2% 1.0 . 4.61 624 505 A 8 GLU H A 7 ILE HG2% 1.0 . 3.74 625 506 A 7 ILE HG2% A 74 LEU H 1.0 . 5.05 626 507 A 7 ILE HG2% A 9 PHE HE% 1.0 . 4.89 627 508 A 17 PHE HD% A 7 ILE HG2% 1.0 . 5.50 628 509 A 17 PHE HE% A 7 ILE HG2% 1.0 . 5.50 629 510 A 9 PHE HA A 7 ILE HG2% 1.0 . 4.38 630 511 A 74 LEU HBx A 7 ILE HG2% 1.0 . 3.73 631 512 A 7 ILE HG1x A 7 ILE HG2% 1.0 . 3.22 632 513 A 7 ILE HG1y A 7 ILE HG2% 1.0 . 3.62 633 514 A 32 ILE HG1y A 7 ILE HG2% 1.0 . 4.80 634 515 A 31 MET HE% A 23 HIS HD2 1.0 . 4.00 635 516 A 31 MET HE% A 19 VAL HA 1.0 . 3.92 636 517 A 28 ILE HA A 31 MET HE% 1.0 . 3.84 637 518 A 31 MET HE% A 17 PHE HBy 1.0 . 4.32 638 519 A 31 MET HE% A 19 VAL HGy% 1.0 . 3.25 639 520 A 32 ILE HD1% A 31 MET HE% 1.0 . 4.63 640 521 A 31 MET HE% A 31 MET HGx 1.0 . 3.49 641 522 A 31 MET HE% A 19 VAL HB 1.0 . 3.56 642 523 A 31 MET HE% A 31 MET HGy 1.0 . 3.49 643 524 A 31 MET HE% A 23 HIS HBx 1.0 . 4.74 644 525 A 63 ILE HG2% A 52 MET HE% 1.0 . 3.79 645 526 A 52 MET HE% A 53 ILE H 1.0 . 5.14 646 527 A 31 MET HA A 31 MET HGy 1.0 . 4.08 647 528 A 39 ASN HBy A 41 LYS HDx 1.0 . 5.16 648 528 A 39 ASN HBy A 41 LYS HDy 1.0 . 5.16 649 529 A 29 LYS HGy A 40 VAL HGy% 1.0 . 4.05 650 529 A 40 VAL HGy% A 29 LYS HGx 1.0 . 4.05 651 530 A 29 LYS HBy A 40 VAL HGy% 1.0 . 3.91 652 531 A 40 VAL H A 40 VAL HGy% 1.0 . 3.97 653 532 A 43 GLN HE2y A 40 VAL HGy% 1.0 . 4.83 654 533 A 52 MET H A 52 MET HGx 1.0 . 4.29 655 534 A 24 LYS HA A 57 THR HB 1.0 . 4.25 656 535 A 24 LYS HA A 58 LEU H 1.0 . 4.76 657 536 A 24 LYS HA A 25 ILE HB 1.0 . 4.87 658 537 A 24 LYS HBy A 27 ASP HA 1.0 . 4.66 659 538 A 69 GLU HA A 68 GLU HA 1.0 . 4.59 660 539 A 33 PHE HA A 32 ILE HG2% 1.0 . 4.15 661 540 A 33 PHE HA A 37 ASN HA 1.0 . 4.04 662 541 A 33 PHE HD% A 33 PHE HA 1.0 . 3.70 663 542 A 38 ILE H A 33 PHE HA 1.0 . 3.96 664 543 A 33 PHE HA A 37 ASN H 1.0 . 4.32 665 544 A 19 VAL HGx% A 18 ASN HA 1.0 . 4.47 666 545 A 54 ASN HA A 26 LEU HBx 1.0 . 4.85 667 546 A 25 ILE HG1x A 54 ASN HA 1.0 . 4.75 668 547 A 61 TYR HE% A 52 MET HA 1.0 . 4.70 669 548 A 15 LEU HDx% A 9 PHE HE% 1.0 . 4.72 670 549 A 17 PHE HE% A 35 LYS HDy 1.0 . 5.50 671 550 A 24 LYS HBx A 23 HIS HD2 1.0 . 5.50 672 551 A 19 VAL HGy% A 23 HIS HD2 1.0 . 5.35 673 552 A 19 VAL HB A 23 HIS HD2 1.0 . 5.50 674 553 A 24 LYS HBy A 23 HIS HD2 1.0 . 5.50 675 554 A 23 HIS HA A 23 HIS HD2 1.0 . 4.65 676 555 A 61 TYR HD% A 61 TYR HA 1.0 . 4.66 677 556 A 71 THR HG2% A 73 HIS HD2 1.0 . 5.50 678 557 A 33 PHE HE% A 39 ASN HA 1.0 . 5.50 679 558 A 48 ALA HB% A 49 GLY H 1.0 . 4.38 680 559 A 46 LYS HBx A 49 GLY H 1.0 . 4.21 681 560 A 50 ASN H A 49 GLY H 1.0 . 4.02 682 561 A 18 ASN H A 18 ASN HBy 1.0 . 4.08 683 562 A 18 ASN H A 18 ASN HBx 1.0 . 4.08 684 563 A 4 GLN H A 4 GLN HBx 1.0 . 3.26 685 563 A 4 GLN H A 4 GLN HBy 1.0 . 3.26 686 564 A 3 MET H A 3 MET HGy 1.0 . 5.04 687 565 A 3 MET H A 3 MET HGx 1.0 . 5.04 688 566 A 3 MET H A 3 MET HBy 1.0 . 4.04 689 567 A 3 MET H A 3 MET HBx 1.0 . 4.04 690 568 A 5 VAL H A 4 GLN HBx 1.0 . 3.78 691 568 A 4 GLN HBy A 5 VAL H 1.0 . 3.78 692 569 A 5 VAL HB A 5 VAL H 1.0 . 3.94 693 570 A 5 VAL H A 4 GLN HGy 1.0 . 5.50 694 571 A 5 VAL H A 4 GLN HGx 1.0 . 5.50 695 572 A 4 GLN HA A 5 VAL H 1.0 . 2.94 696 573 A 5 VAL HB A 6 SER H 1.0 . 3.70 697 574 A 6 SER HBy A 6 SER H 1.0 . 3.65 698 575 A 6 SER HBx A 6 SER H 1.0 . 3.78 699 576 A 71 THR HA A 6 SER H 1.0 . 3.91 700 577 A 7 ILE H A 6 SER HBx 1.0 . 4.28 701 578 A 7 ILE H A 7 ILE HB 1.0 . 3.46 702 579 A 7 ILE H A 15 LEU HBy 1.0 . 4.82 703 580 A 7 ILE H A 7 ILE HG1x 1.0 . 3.86 704 581 A 7 ILE H A 7 ILE HD1% 1.0 . 4.31 705 582 A 8 GLU H A 73 HIS H 1.0 . 5.50 706 583 A 7 ILE HB A 8 GLU H 1.0 . 4.35 707 584 A 8 GLU H A 8 GLU HBy 1.0 . 3.51 708 585 A 8 GLU H A 8 GLU HBx 1.0 . 3.51 709 586 A 8 GLU H A 14 LYS HGx 1.0 . 4.52 710 587 A 71 THR HG2% A 8 GLU H 1.0 . 3.90 711 588 A 8 GLU H A 7 ILE HD1% 1.0 . 4.17 712 589 A 32 ILE HB A 33 PHE H 1.0 . 3.58 713 590 A 8 GLU HGx A 9 PHE H 1.0 . 3.97 714 591 A 32 ILE HG1y A 33 PHE H 1.0 . 4.53 715 592 A 9 PHE H A 14 LYS HGx 1.0 . 4.39 716 593 A 32 ILE HG2% A 33 PHE H 1.0 . 3.63 717 594 A 30 GLU HA A 33 PHE H 1.0 . 4.00 718 595 A 9 PHE HBx A 9 PHE H 1.0 . 3.18 719 596 A 33 PHE HBx A 33 PHE H 1.0 . 3.41 720 597 A 14 LYS HA A 9 PHE H 1.0 . 4.11 721 598 A 33 PHE H A 43 GLN HE2x 1.0 . 3.78 722 599 A 9 PHE HD% A 9 PHE H 1.0 . 3.77 723 600 A 33 PHE HD% A 33 PHE H 1.0 . 4.40 724 601 A 9 PHE HBy A 10 GLN H 1.0 . 4.08 725 602 A 10 GLN H A 10 GLN HBx 1.0 . 3.67 726 602 A 10 GLN HBy A 10 GLN H 1.0 . 3.67 727 603 A 9 PHE HBy A 11 ASN H 1.0 . 3.94 728 604 A 11 ASN H A 10 GLN HBx 1.0 . 4.19 729 604 A 10 GLN HBy A 11 ASN H 1.0 . 4.19 730 605 A 13 GLU H A 12 GLY H 1.0 . 3.35 731 606 A 9 PHE HBx A 12 GLY H 1.0 . 4.23 732 607 A 12 GLY H A 10 GLN HBx 1.0 . 4.54 733 607 A 10 GLN HBy A 12 GLY H 1.0 . 4.54 734 608 A 13 GLU H A 9 PHE HBx 1.0 . 3.70 735 609 A 13 GLU HA A 14 LYS H 1.0 . 2.87 736 610 A 14 LYS HBx A 14 LYS H 1.0 . 3.18 737 611 A 14 LYS HGy A 14 LYS H 1.0 . 3.87 738 612 A 14 LYS HGx A 14 LYS H 1.0 . 4.67 739 613 A 7 ILE HB A 15 LEU H 1.0 . 3.72 740 614 A 15 LEU H A 15 LEU HG 1.0 . 3.54 741 615 A 7 ILE HG1x A 15 LEU H 1.0 . 4.36 742 616 A 15 LEU H A 15 LEU HDy% 1.0 . 4.16 743 617 A 15 LEU H A 14 LYS HA 1.0 . 2.94 744 618 A 17 PHE HE% A 15 LEU H 1.0 . 4.96 745 619 A 16 LYS H A 15 LEU HBx 1.0 . 3.39 746 620 A 16 LYS H A 15 LEU HDy% 1.0 . 4.08 747 621 A 64 ILE HG2% A 65 ASP H 1.0 . 4.70 748 622 A 43 GLN HA A 44 SER H 1.0 . 3.08 749 623 A 44 SER H A 44 SER HBx 1.0 . 3.32 750 623 A 44 SER HBy A 44 SER H 1.0 . 3.32 751 624 A 44 SER H A 43 GLN HBx 1.0 . 3.72 752 624 A 43 GLN HBy A 44 SER H 1.0 . 3.72 753 625 A 16 LYS HA A 17 PHE H 1.0 . 3.10 754 626 A 17 PHE HBx A 17 PHE H 1.0 . 3.63 755 627 A 17 PHE H A 16 LYS HGx 1.0 . 4.35 756 627 A 16 LYS HGy A 17 PHE H 1.0 . 4.35 757 628 A 18 ASN H A 17 PHE HBy 1.0 . 4.09 758 629 A 19 VAL H A 18 ASN HA 1.0 . 2.91 759 630 A 19 VAL H A 18 ASN HBx 1.0 . 4.66 760 631 A 19 VAL HB A 19 VAL H 1.0 . 4.07 761 632 A 19 VAL HGx% A 19 VAL H 1.0 . 3.25 762 633 A 22 SER H A 20 GLN HBx 1.0 . 4.33 763 634 A 22 SER H A 23 HIS H 1.0 . 3.61 764 635 A 23 HIS HBy A 23 HIS H 1.0 . 3.11 765 636 A 23 HIS HBx A 23 HIS H 1.0 . 3.56 766 637 A 23 HIS HD2 A 24 LYS H 1.0 . 5.37 767 638 A 23 HIS HBy A 24 LYS H 1.0 . 4.55 768 639 A 23 HIS HBx A 24 LYS H 1.0 . 4.10 769 640 A 24 LYS HBy A 24 LYS H 1.0 . 4.04 770 641 A 24 LYS HBx A 24 LYS H 1.0 . 3.32 771 642 A 24 LYS H A 24 LYS HGx 1.0 . 4.13 772 642 A 24 LYS HGy A 24 LYS H 1.0 . 4.13 773 643 A 25 ILE H A 25 ILE HB 1.0 . 3.33 774 644 A 24 LYS HBy A 25 ILE H 1.0 . 3.65 775 645 A 25 ILE H A 25 ILE HG1y 1.0 . 3.72 776 646 A 25 ILE H A 24 LYS HBx 1.0 . 4.56 777 647 A 58 LEU HG A 25 ILE H 1.0 . 4.94 778 648 A 25 ILE HG1x A 25 ILE H 1.0 . 3.84 779 649 A 25 ILE HD1% A 25 ILE H 1.0 . 3.75 780 650 A 54 ASN HA A 26 LEU H 1.0 . 3.72 781 651 A 25 ILE HB A 26 LEU H 1.0 . 3.50 782 652 A 24 LYS HBy A 26 LEU H 1.0 . 3.50 783 653 A 26 LEU H A 26 LEU HBy 1.0 . 3.22 784 654 A 26 LEU H A 26 LEU HBx 1.0 . 3.22 785 655 A 27 ASP H A 27 ASP HBy 1.0 . 3.76 786 656 A 27 ASP H A 27 ASP HBx 1.0 . 3.76 787 657 A 24 LYS HBy A 27 ASP H 1.0 . 3.87 788 658 A 24 LYS HBx A 27 ASP H 1.0 . 3.56 789 659 A 27 ASP H A 26 LEU HG 1.0 . 3.97 790 660 A 27 ASP H A 26 LEU HBx 1.0 . 4.50 791 661 A 28 ILE H A 27 ASP H 1.0 . 3.31 792 662 A 28 ILE H A 27 ASP HBy 1.0 . 4.21 793 663 A 28 ILE H A 27 ASP HBx 1.0 . 4.21 794 664 A 28 ILE HB A 28 ILE H 1.0 . 3.36 795 665 A 28 ILE H A 31 MET HE% 1.0 . 4.30 796 666 A 28 ILE H A 28 ILE HG1y 1.0 . 3.68 797 667 A 28 ILE H A 28 ILE HG1x 1.0 . 3.68 798 668 A 28 ILE H A 28 ILE HD1% 1.0 . 3.64 799 669 A 28 ILE H A 29 LYS H 1.0 . 3.41 800 670 A 26 LEU HA A 29 LYS H 1.0 . 4.14 801 671 A 28 ILE HB A 29 LYS H 1.0 . 3.45 802 672 A 29 LYS HBy A 29 LYS H 1.0 . 3.43 803 673 A 29 LYS HBx A 29 LYS H 1.0 . 3.90 804 674 A 29 LYS H A 29 LYS HDx 1.0 . 4.17 805 674 A 29 LYS HDy A 29 LYS H 1.0 . 4.17 806 675 A 29 LYS H A 29 LYS HGx 1.0 . 3.26 807 675 A 29 LYS HGy A 29 LYS H 1.0 . 3.26 808 676 A 28 ILE HG2% A 29 LYS H 1.0 . 3.82 809 677 A 30 GLU H A 31 MET H 1.0 . 3.50 810 678 A 27 ASP HA A 30 GLU H 1.0 . 4.12 811 679 A 30 GLU HBy A 30 GLU H 1.0 . 2.96 812 680 A 30 GLU H A 29 LYS HBy 1.0 . 3.64 813 681 A 29 LYS HBx A 30 GLU H 1.0 . 3.86 814 682 A 28 ILE HA A 31 MET H 1.0 . 4.27 815 683 A 30 GLU HBy A 31 MET H 1.0 . 4.04 816 684 A 30 GLU HBx A 31 MET H 1.0 . 4.16 817 685 A 31 MET H A 31 MET HBy 1.0 . 3.79 818 686 A 31 MET H A 31 MET HBx 1.0 . 3.79 819 687 A 32 ILE H A 31 MET H 1.0 . 3.54 820 688 A 32 ILE HB A 32 ILE H 1.0 . 3.35 821 689 A 32 ILE HG1y A 32 ILE H 1.0 . 3.09 822 690 A 32 ILE HG2% A 32 ILE H 1.0 . 3.88 823 691 A 32 ILE HG1x A 32 ILE H 1.0 . 3.82 824 692 A 34 LYS H A 35 LYS H 1.0 . 3.47 825 693 A 33 PHE HD% A 34 LYS H 1.0 . 4.07 826 694 A 34 LYS H A 31 MET HA 1.0 . 4.02 827 695 A 34 LYS H A 33 PHE HBy 1.0 . 4.15 828 696 A 34 LYS H A 33 PHE HBx 1.0 . 3.61 829 697 A 34 LYS H A 34 LYS HBy 1.0 . 2.96 830 698 A 34 LYS H A 34 LYS HGy 1.0 . 3.69 831 699 A 34 LYS H A 34 LYS HGx 1.0 . 3.69 832 700 A 32 ILE HA A 35 LYS H 1.0 . 4.24 833 701 A 35 LYS H A 35 LYS HBx 1.0 . 3.03 834 701 A 35 LYS HBy A 35 LYS H 1.0 . 3.03 835 702 A 36 THR HG2% A 35 LYS H 1.0 . 4.43 836 703 A 32 ILE HG2% A 35 LYS H 1.0 . 4.52 837 704 A 36 THR H A 35 LYS HBx 1.0 . 3.62 838 704 A 35 LYS HBy A 36 THR H 1.0 . 3.62 839 705 A 36 THR HG2% A 36 THR H 1.0 . 3.52 840 706 A 32 ILE HG2% A 36 THR H 1.0 . 4.20 841 707 A 38 ILE H A 37 ASN H 1.0 . 3.61 842 708 A 35 LYS H A 37 ASN H 1.0 . 4.17 843 709 A 36 THR HG2% A 37 ASN H 1.0 . 4.45 844 710 A 32 ILE HG2% A 37 ASN H 1.0 . 4.59 845 711 A 33 PHE HD% A 38 ILE H 1.0 . 4.21 846 712 A 38 ILE HB A 38 ILE H 1.0 . 3.17 847 713 A 38 ILE H A 36 THR HG2% 1.0 . 4.71 848 714 A 38 ILE HG2% A 38 ILE H 1.0 . 4.34 849 715 A 38 ILE HD1% A 38 ILE H 1.0 . 4.67 850 716 A 38 ILE HA A 39 ASN H 1.0 . 2.87 851 717 A 39 ASN HBy A 39 ASN H 1.0 . 3.23 852 718 A 39 ASN H A 39 ASN HBx 1.0 . 3.65 853 719 A 38 ILE HG2% A 39 ASN H 1.0 . 3.50 854 720 A 38 ILE HB A 39 ASN H 1.0 . 4.37 855 721 A 33 PHE HD% A 40 VAL H 1.0 . 4.73 856 722 A 39 ASN HA A 40 VAL H 1.0 . 3.00 857 723 A 40 VAL H A 39 ASN HBx 1.0 . 3.82 858 724 A 40 VAL HB A 40 VAL H 1.0 . 3.65 859 725 A 40 VAL H A 40 VAL HGx% 1.0 . 3.97 860 726 A 41 LYS H A 39 ASN HBx 1.0 . 3.81 861 727 A 41 LYS H A 40 VAL HGy% 1.0 . 4.60 862 728 A 41 LYS H A 42 ASP H 1.0 . 3.73 863 729 A 42 ASP H A 42 ASP HBy 1.0 . 3.80 864 730 A 39 ASN HBx A 42 ASP H 1.0 . 3.36 865 731 A 42 ASP H A 42 ASP HBx 1.0 . 3.80 866 732 A 42 ASP H A 41 LYS HBy 1.0 . 4.32 867 733 A 42 ASP H A 41 LYS HBx 1.0 . 4.32 868 734 A 42 ASP H A 41 LYS HGy 1.0 . 4.24 869 735 A 42 ASP H A 41 LYS HGx 1.0 . 4.24 870 736 A 43 GLN H A 42 ASP H 1.0 . 3.27 871 737 A 43 GLN H A 43 GLN HGx 1.0 . 3.53 872 737 A 43 GLN H A 43 GLN HGy 1.0 . 3.53 873 738 A 43 GLN H A 43 GLN HBx 1.0 . 3.25 874 738 A 43 GLN H A 43 GLN HBy 1.0 . 3.25 875 739 A 40 VAL HA A 43 GLN HE2x 1.0 . 4.38 876 740 A 33 PHE HBy A 43 GLN HE2x 1.0 . 4.43 877 741 A 32 ILE HB A 43 GLN HE2x 1.0 . 3.98 878 742 A 29 LYS HBx A 43 GLN HE2x 1.0 . 4.38 879 743 A 32 ILE HG2% A 43 GLN HE2x 1.0 . 3.99 880 744 A 43 GLN HE2y A 32 ILE HB 1.0 . 4.33 881 745 A 43 GLN HE2y A 29 LYS HBx 1.0 . 4.06 882 746 A 43 GLN HE2y A 40 VAL HGx% 1.0 . 4.83 883 747 A 45 LEU H A 44 SER HBx 1.0 . 4.20 884 747 A 44 SER HBy A 45 LEU H 1.0 . 4.20 885 748 A 45 LEU H A 45 LEU HDx% 1.0 . 5.29 886 749 A 45 LEU H A 45 LEU HDy% 1.0 . 5.29 887 750 A 73 HIS HBx A 46 LYS H 1.0 . 4.62 888 751 A 46 LYS HBy A 46 LYS H 1.0 . 3.58 889 752 A 46 LYS H A 46 LYS HGy 1.0 . 4.43 890 753 A 46 LYS H A 46 LYS HGx 1.0 . 4.43 891 754 A 51 GLU HA A 47 PHE H 1.0 . 4.28 892 755 A 47 PHE H A 47 PHE HBy 1.0 . 3.85 893 756 A 47 PHE H A 47 PHE HBx 1.0 . 3.85 894 757 A 47 PHE H A 46 LYS HBx 1.0 . 3.56 895 758 A 50 ASN H A 50 ASN HBy 1.0 . 4.08 896 759 A 50 ASN H A 46 LYS HBx 1.0 . 4.09 897 760 A 48 ALA HB% A 50 ASN H 1.0 . 4.38 898 761 A 51 GLU HA A 52 MET H 1.0 . 3.10 899 762 A 52 MET H A 51 GLU HBx 1.0 . 4.03 900 762 A 52 MET H A 51 GLU HBy 1.0 . 4.03 901 763 A 52 MET H A 46 LYS HGy 1.0 . 4.36 902 764 A 52 MET H A 46 LYS HGx 1.0 . 4.36 903 765 A 53 ILE HB A 53 ILE H 1.0 . 3.32 904 766 A 53 ILE H A 53 ILE HG1y 1.0 . 4.13 905 767 A 53 ILE H A 53 ILE HG1x 1.0 . 4.13 906 768 A 53 ILE HG2% A 53 ILE H 1.0 . 3.86 907 769 A 61 TYR HE% A 53 ILE H 1.0 . 4.13 908 770 A 52 MET HA A 53 ILE H 1.0 . 3.35 909 771 A 53 ILE HA A 54 ASN H 1.0 . 3.08 910 772 A 54 ASN H A 54 ASN HBy 1.0 . 3.88 911 773 A 54 ASN H A 54 ASN HBx 1.0 . 3.88 912 774 A 53 ILE HG2% A 54 ASN H 1.0 . 3.71 913 775 A 55 GLN H A 56 LYS H 1.0 . 3.43 914 776 A 55 GLN H A 55 GLN HGx 1.0 . 3.53 915 776 A 55 GLN HGy A 55 GLN H 1.0 . 3.53 916 777 A 55 GLN H A 55 GLN HBy 1.0 . 3.81 917 778 A 55 GLN H A 55 GLN HBx 1.0 . 3.81 918 779 A 53 ILE HG2% A 55 GLN H 1.0 . 3.28 919 780 A 53 ILE HD1% A 55 GLN H 1.0 . 4.79 920 781 A 54 ASN HA A 56 LYS H 1.0 . 5.13 921 782 A 56 LYS HBy A 56 LYS H 1.0 . 3.23 922 783 A 56 LYS HGy A 56 LYS H 1.0 . 4.38 923 784 A 56 LYS HGx A 56 LYS H 1.0 . 3.87 924 785 A 53 ILE HG2% A 56 LYS H 1.0 . 3.73 925 786 A 56 LYS HBy A 57 THR H 1.0 . 3.79 926 787 A 56 LYS HBx A 57 THR H 1.0 . 3.36 927 788 A 57 THR HG2% A 57 THR H 1.0 . 3.62 928 789 A 57 THR HA A 58 LEU H 1.0 . 3.52 929 790 A 58 LEU HG A 58 LEU H 1.0 . 3.24 930 791 A 25 ILE HG1x A 58 LEU H 1.0 . 4.34 931 792 A 58 LEU H A 58 LEU HDx% 1.0 . 4.06 932 793 A 25 ILE HD1% A 58 LEU H 1.0 . 3.94 933 794 A 59 SER H A 59 SER HBx 1.0 . 3.24 934 795 A 59 SER H A 58 LEU HBy 1.0 . 4.09 935 796 A 58 LEU HG A 59 SER H 1.0 . 4.96 936 797 A 59 SER H A 58 LEU HBx 1.0 . 4.09 937 798 A 60 ASP H A 59 SER HBx 1.0 . 4.35 938 799 A 60 ASP H A 60 ASP HBy 1.0 . 3.69 939 800 A 60 ASP H A 60 ASP HBx 1.0 . 3.69 940 801 A 61 TYR HD% A 61 TYR H 1.0 . 3.67 941 802 A 61 TYR H A 63 ILE H 1.0 . 4.18 942 803 A 59 SER HA A 61 TYR H 1.0 . 4.25 943 804 A 61 TYR HBy A 61 TYR H 1.0 . 4.02 944 805 A 61 TYR HBx A 61 TYR H 1.0 . 3.49 945 806 A 61 TYR H A 62 SER H 1.0 . 3.46 946 807 A 63 ILE H A 62 SER H 1.0 . 3.65 947 808 A 62 SER H A 62 SER HBx 1.0 . 3.80 948 808 A 62 SER H A 62 SER HBy 1.0 . 3.80 949 809 A 61 TYR HBx A 62 SER H 1.0 . 4.74 950 810 A 59 SER HA A 63 ILE H 1.0 . 3.80 951 811 A 63 ILE HB A 63 ILE H 1.0 . 3.42 952 812 A 63 ILE H A 63 ILE HG1x 1.0 . 3.76 953 812 A 63 ILE HG1y A 63 ILE H 1.0 . 3.76 954 813 A 63 ILE HG2% A 63 ILE H 1.0 . 3.88 955 814 A 63 ILE HD1% A 63 ILE H 1.0 . 4.37 956 815 A 63 ILE HA A 64 ILE H 1.0 . 3.17 957 816 A 64 ILE HB A 64 ILE H 1.0 . 4.12 958 817 A 64 ILE H A 64 ILE HG1y 1.0 . 4.27 959 818 A 64 ILE H A 64 ILE HG1x 1.0 . 4.27 960 819 A 63 ILE HG2% A 64 ILE H 1.0 . 4.11 961 820 A 65 ASP H A 64 ILE H 1.0 . 3.44 962 821 A 65 ASP H A 65 ASP HBy 1.0 . 3.66 963 822 A 65 ASP H A 65 ASP HBx 1.0 . 3.66 964 823 A 64 ILE HB A 65 ASP H 1.0 . 3.83 965 824 A 67 THR HG2% A 67 THR H 1.0 . 4.19 966 825 A 68 GLU H A 68 GLU HBx 1.0 . 3.25 967 825 A 68 GLU H A 68 GLU HBy 1.0 . 3.25 968 826 A 68 GLU HA A 69 GLU H 1.0 . 3.12 969 827 A 70 PHE HD% A 70 PHE H 1.0 . 3.89 970 828 A 5 VAL HA A 70 PHE H 1.0 . 4.64 971 829 A 70 PHE H A 70 PHE HBx 1.0 . 3.48 972 829 A 70 PHE HBy A 70 PHE H 1.0 . 3.48 973 830 A 71 THR HB A 71 THR H 1.0 . 3.53 974 831 A 71 THR H A 70 PHE HBx 1.0 . 3.74 975 831 A 70 PHE HBy A 71 THR H 1.0 . 3.74 976 832 A 71 THR HG2% A 71 THR H 1.0 . 4.20 977 833 A 72 LEU H A 72 LEU HBy 1.0 . 3.38 978 834 A 72 LEU H A 72 LEU HBx 1.0 . 4.10 979 835 A 71 THR HG2% A 72 LEU H 1.0 . 3.61 980 836 A 73 HIS HBy A 73 HIS H 1.0 . 3.85 981 837 A 73 HIS HBx A 73 HIS H 1.0 . 3.45 982 838 A 72 LEU HBy A 73 HIS H 1.0 . 3.83 983 839 A 73 HIS H A 72 LEU HBx 1.0 . 3.66 984 840 A 73 HIS HBy A 74 LEU H 1.0 . 4.23 985 841 A 73 HIS HBx A 74 LEU H 1.0 . 4.59 986 842 A 74 LEU HBy A 74 LEU H 1.0 . 3.32 987 843 A 74 LEU HBx A 74 LEU H 1.0 . 3.51 988 844 A 74 LEU H A 74 LEU HDx% 1.0 . 3.95 989 844 A 74 LEU HDy% A 74 LEU H 1.0 . 3.95 990 845 A 75 GLU H A 75 GLU HGx 1.0 . 4.28 991 845 A 75 GLU HGy A 75 GLU H 1.0 . 4.28 992 846 A 75 GLU H A 75 GLU HBy 1.0 . 4.05 993 847 A 75 GLU H A 75 GLU HBx 1.0 . 4.05 994 848 A 74 LEU HG A 75 GLU H 1.0 . 3.86 995 849 A 75 GLU H A 74 LEU HDx% 1.0 . 4.36 996 849 A 74 LEU HDy% A 75 GLU H 1.0 . 4.36 997 850 A 76 THR HB A 76 THR H 1.0 . 4.05 998 851 A 76 THR H A 75 GLU HGx 1.0 . 4.00 999 851 A 75 GLU HGy A 76 THR H 1.0 . 4.00 1000 852 A 76 THR H A 75 GLU HBy 1.0 . 4.14 1001 853 A 76 THR H A 75 GLU HBx 1.0 . 4.14 1002 854 A 76 THR HG2% A 76 THR H 1.0 . 3.94 1003 855 A 77 LYS H A 77 LYS HDx 1.0 . 3.37 1004 855 A 77 LYS H A 77 LYS HDy 1.0 . 3.37 1005 856 A 78 LEU H A 78 LEU HBx 1.0 . 3.08 1006 856 A 78 LEU H A 78 LEU HBy 1.0 . 3.08 1007 857 A 79 ASP H A 78 LEU HBx 1.0 . 3.88 1008 857 A 78 LEU HBy A 79 ASP H 1.0 . 3.88 1009 858 A 80 LEU H A 80 LEU HBx 1.0 . 3.29 1010 858 A 80 LEU H A 80 LEU HBy 1.0 . 3.29 1011 859 A 81 MET H A 80 LEU HBx 1.0 . 4.53 1012 859 A 80 LEU HBy A 81 MET H 1.0 . 4.53 1013 860 A 7 ILE H A 15 LEU H 1.0 . 3.67 1014 861 A 27 ASP H A 26 LEU H 1.0 . 3.83 1015 862 A 27 ASP H A 24 LYS H 1.0 . 5.00 1016 863 A 30 GLU H A 29 LYS H 1.0 . 3.63 1017 864 A 41 LYS H A 40 VAL H 1.0 . 3.61 1018 865 A 43 GLN H A 41 LYS H 1.0 . 4.83 1019 866 A 43 GLN H A 44 SER H 1.0 . 5.39 1020 867 A 43 GLN HE2y A 33 PHE H 1.0 . 4.63 1021 868 A 50 ASN H A 47 PHE H 1.0 . 3.60 1022 869 A 57 THR H A 56 LYS H 1.0 . 4.61 1023 870 A 59 SER H A 58 LEU H 1.0 . 3.63 1024 871 A 59 SER H A 60 ASP H 1.0 . 3.84 1025 872 A 60 ASP H A 57 THR H 1.0 . 4.27 1026 873 A 75 GLU H A 44 SER H 1.0 . 4.04 1027 874 A 43 GLN HE2y A 43 GLN HBx 1.0 . 4.61 1028 874 A 43 GLN HE2y A 43 GLN HBy 1.0 . 4.61 1029 875 A 32 ILE HA A 36 THR H 1.0 . 4.68 1030 876 A 33 PHE HA A 36 THR H 1.0 . 5.50 1031 877 A 8 GLU HGx A 12 GLY H 1.0 . 4.75 1032 878 A 61 TYR HBy A 62 SER H 1.0 . 4.92 1033 879 A 57 THR HA A 59 SER H 1.0 . 4.87 1034 880 A 68 GLU H A 67 THR H 1.0 . 4.54 1035 881 A 35 LYS H A 36 THR H 1.0 . 3.34 1036 882 A 48 ALA HB% A 50 ASN HD2y 1.0 . 5.01 1037 883 A 48 ALA HB% A 50 ASN HD2x 1.0 . 5.01 1038 884 A 28 ILE HD1% A 27 ASP H 1.0 . 5.31 1039 885 A 36 THR H A 37 ASN H 1.0 . 3.15 1040 886 A 43 GLN H A 40 VAL HA 1.0 . 4.56 1041 887 A 17 PHE HD% A 17 PHE H 1.0 . 4.20 1042 888 A 23 HIS HBy A 20 GLN H 1.0 . 4.72 1043 889 A 70 PHE HD% A 71 THR H 1.0 . 4.53 1044 890 A 34 LYS H A 31 MET H 1.0 . 5.24 1045 891 A 28 ILE HG2% A 31 MET H 1.0 . 5.50 1046 892 A 28 ILE HD1% A 31 MET H 1.0 . 5.50 1047 893 A 63 ILE HA A 65 ASP H 1.0 . 4.63 1048 894 A 68 GLU H A 69 GLU H 1.0 . 4.47 1049 895 A 30 GLU H A 27 ASP H 1.0 . 5.36 1050 896 A 43 GLN HE2y A 40 VAL H 1.0 . 4.62 1051 897 A 53 ILE HD1% A 53 ILE H 1.0 . 4.37 1052 898 A 53 ILE H A 56 LYS H 1.0 . 4.99 1053 899 A 52 MET H A 53 ILE H 1.0 . 5.08 1054 900 A 25 ILE H A 54 ASN HA 1.0 . 4.44 1055 901 A 25 ILE H A 26 LEU H 1.0 . 3.71 1056 902 A 7 ILE H A 6 SER H 1.0 . 4.79 1057 903 A 7 ILE H A 6 SER HBy 1.0 . 4.58 1058 904 A 8 GLU H A 74 LEU H 1.0 . 4.97 1059 905 A 52 MET H A 47 PHE H 1.0 . 4.78 1060 906 A 40 VAL H A 39 ASN H 1.0 . 4.74 1061 907 A 8 GLU HGy A 8 GLU H 1.0 . 4.83 1062 908 A 33 PHE H A 32 ILE H 1.0 . 3.57 1063 909 A 34 LYS H A 33 PHE H 1.0 . 3.54 1064 910 A 72 LEU H A 6 SER H 1.0 . 4.55 1065 911 A 54 ASN H A 55 GLN H 1.0 . 4.22 1066 912 A 20 GLN H A 23 HIS H 1.0 . 4.73 1067 913 A 19 VAL HGy% A 23 HIS H 1.0 . 4.52 1068 914 A 15 LEU H A 9 PHE HD% 1.0 . 4.97 1069 915 A 15 LEU H A 9 PHE HE% 1.0 . 5.32 1070 916 A 78 LEU H A 77 LYS HGx 1.0 . 4.82 1071 916 A 78 LEU H A 77 LYS HGy 1.0 . 4.82 1072 917 A 77 LYS H A 78 LEU H 1.0 . 4.50 1073 918 A 80 LEU H A 81 MET H 1.0 . 3.42 1074 919 A 47 PHE H A 46 LYS H 1.0 . 4.56 1075 920 A 73 HIS H A 73 HIS HD2 1.0 . 5.27 1076 921 A 46 LYS HBy A 47 PHE H 1.0 . 4.34 1077 922 A 47 PHE H A 52 MET HE% 1.0 . 4.79 1078 923 A 47 PHE HD% A 47 PHE H 1.0 . 4.91 1079 924 A 47 PHE H A 48 ALA H 1.0 . 5.50 1080 925 A 34 LYS H A 32 ILE HG2% 1.0 . 4.87 1081 926 A 33 PHE HD% A 37 ASN H 1.0 . 4.52 1082 927 A 34 LYS HA A 37 ASN H 1.0 . 4.75 1083 928 A 61 TYR HE% A 61 TYR H 1.0 . 5.35 1084 929 A 40 VAL HA A 42 ASP H 1.0 . 4.78 1085 930 A 43 GLN H A 41 LYS HA 1.0 . 4.51 1086 931 A 19 VAL H A 18 ASN HBy 1.0 . 4.66 1087 932 A 25 ILE H A 27 ASP H 1.0 . 4.88 1088 933 A 25 ILE HD1% A 59 SER H 1.0 . 5.01 1089 934 A 59 SER H A 58 LEU HDy% 1.0 . 5.46 1090 935 A 10 GLN HA A 12 GLY H 1.0 . 4.39 1091 936 A 57 THR H A 56 LYS HDx 1.0 . 4.80 1092 936 A 56 LYS HDy A 57 THR H 1.0 . 4.80 1093 937 A 57 THR H A 56 LYS HGy 1.0 . 4.40 1094 938 A 57 THR H A 56 LYS HGx 1.0 . 4.45 1095 939 A 58 LEU HDx% A 24 LYS H 1.0 . 5.23 1096 940 A 76 THR H A 74 LEU HDx% 1.0 . 5.50 1097 940 A 74 LEU HDy% A 76 THR H 1.0 . 5.50 1098 941 A 24 LYS H A 26 LEU H 1.0 . 5.50 1099 942 A 23 HIS HBy A 22 SER H 1.0 . 5.23 1100 943 A 33 PHE HBy A 40 VAL H 1.0 . 4.48 1101 944 A 6 SER H A 70 PHE HBx 1.0 . 4.57 1102 944 A 70 PHE HBy A 6 SER H 1.0 . 4.57 1103 945 A 17 PHE HD% A 7 ILE H 1.0 . 5.50 1104 946 A 17 PHE HE% A 7 ILE H 1.0 . 5.50 1105 947 A 25 ILE H A 24 LYS HGx 1.0 . 4.33 1106 947 A 24 LYS HGy A 25 ILE H 1.0 . 4.33 1107 948 A 56 LYS HBy A 53 ILE H 1.0 . 4.62 1108 949 A 63 ILE H A 64 ILE H 1.0 . 4.67 1109 950 A 61 TYR HBx A 63 ILE H 1.0 . 4.83 1110 951 A 7 ILE H A 8 GLU H 1.0 . 4.80 1111 952 A 51 GLU H A 51 GLU HBx 1.0 . 4.14 1112 952 A 51 GLU HBy A 51 GLU H 1.0 . 4.14 1113 953 A 70 PHE H A 69 GLU H 1.0 . 4.73 1114 954 A 31 MET HE% A 31 MET H 1.0 . 4.16 1115 955 A 3 MET H A 2 HIS HBx 1.0 . 3.95 1116 955 A 3 MET H A 2 HIS HBy 1.0 . 3.95 1117 956 A 3 MET H A 3 MET HBx 1.0 . 3.50 1118 956 A 3 MET H A 3 MET HBy 1.0 . 3.50 1119 957 A 3 MET H A 3 MET HGx 1.0 . 4.33 1120 957 A 3 MET H A 3 MET HGy 1.0 . 4.33 1121 958 A 19 VAL H A 3 MET HBx 1.0 . 4.44 1122 958 A 19 VAL H A 3 MET HBy 1.0 . 4.44 1123 959 A 19 VAL HGx% A 3 MET HBx 1.0 . 4.11 1124 959 A 19 VAL HGx% A 3 MET HBy 1.0 . 4.11 1125 960 A 3 MET HE% A 3 MET HGx 1.0 . 2.76 1126 960 A 3 MET HE% A 3 MET HGy 1.0 . 2.76 1127 961 A 4 GLN H A 3 MET HGx 1.0 . 3.79 1128 961 A 4 GLN H A 3 MET HGy 1.0 . 3.79 1129 962 A 4 GLN H A 4 GLN HGx 1.0 . 4.29 1130 962 A 4 GLN H A 4 GLN HGy 1.0 . 4.29 1131 963 A 4 GLN H A 5 VAL HGx% 1.0 . 4.32 1132 963 A 4 GLN H A 5 VAL HGy% 1.0 . 4.32 1133 964 A 4 GLN HA A 4 GLN HGx 1.0 . 3.69 1134 964 A 4 GLN HA A 4 GLN HGy 1.0 . 3.69 1135 965 A 5 VAL H A 4 GLN HGx 1.0 . 4.70 1136 965 A 5 VAL H A 4 GLN HGy 1.0 . 4.70 1137 966 A 5 VAL H A 5 VAL HGx% 1.0 . 3.32 1138 966 A 5 VAL H A 5 VAL HGy% 1.0 . 3.32 1139 967 A 5 VAL HB A 72 LEU HDy% 1.0 . 3.87 1140 967 A 5 VAL HB A 72 LEU HDx% 1.0 . 3.87 1141 968 A 6 SER H A 5 VAL HGx% 1.0 . 3.56 1142 968 A 6 SER H A 5 VAL HGy% 1.0 . 3.56 1143 969 A 6 SER HA A 5 VAL HGx% 1.0 . 5.23 1144 969 A 6 SER HA A 5 VAL HGy% 1.0 . 5.23 1145 970 A 7 ILE HD1% A 5 VAL HGx% 1.0 . 2.80 1146 970 A 7 ILE HD1% A 5 VAL HGy% 1.0 . 2.80 1147 971 A 63 ILE HG2% A 5 VAL HGx% 1.0 . 3.62 1148 971 A 63 ILE HG2% A 5 VAL HGy% 1.0 . 3.62 1149 972 A 70 PHE H A 5 VAL HGx% 1.0 . 5.10 1150 972 A 70 PHE H A 5 VAL HGy% 1.0 . 5.10 1151 973 A 5 VAL HGx% A 70 PHE HBx 1.0 . 4.60 1152 973 A 5 VAL HGy% A 70 PHE HBx 1.0 . 4.60 1153 973 A 70 PHE HBy A 5 VAL HGx% 1.0 . 4.60 1154 973 A 70 PHE HBy A 5 VAL HGy% 1.0 . 4.60 1155 974 A 70 PHE HD% A 5 VAL HGx% 1.0 . 4.98 1156 974 A 70 PHE HD% A 5 VAL HGy% 1.0 . 4.98 1157 975 A 71 THR HA A 5 VAL HGx% 1.0 . 5.44 1158 975 A 71 THR HA A 5 VAL HGy% 1.0 . 5.44 1159 976 A 7 ILE HA A 45 LEU HDy% 1.0 . 4.32 1160 976 A 7 ILE HA A 45 LEU HDx% 1.0 . 4.32 1161 977 A 7 ILE HB A 45 LEU HDy% 1.0 . 5.17 1162 977 A 7 ILE HB A 45 LEU HDx% 1.0 . 5.17 1163 978 A 7 ILE HG2% A 45 LEU HDy% 1.0 . 3.30 1164 978 A 7 ILE HG2% A 45 LEU HDx% 1.0 . 3.30 1165 979 A 9 PHE H A 8 GLU HBx 1.0 . 4.02 1166 979 A 9 PHE H A 8 GLU HBy 1.0 . 4.02 1167 980 A 71 THR HG2% A 8 GLU HBx 1.0 . 3.30 1168 980 A 71 THR HG2% A 8 GLU HBy 1.0 . 3.30 1169 981 A 73 HIS HA A 8 GLU HBx 1.0 . 4.02 1170 981 A 73 HIS HA A 8 GLU HBy 1.0 . 4.02 1171 982 A 73 HIS HD2 A 8 GLU HBx 1.0 . 5.10 1172 982 A 73 HIS HD2 A 8 GLU HBy 1.0 . 5.10 1173 983 A 74 LEU H A 8 GLU HBx 1.0 . 4.51 1174 983 A 74 LEU H A 8 GLU HBy 1.0 . 4.51 1175 984 A 9 PHE HBx A 13 GLU HBy 1.0 . 4.28 1176 984 A 9 PHE HBx A 13 GLU HBx 1.0 . 4.28 1177 985 A 9 PHE HBy A 13 GLU HBy 1.0 . 4.87 1178 985 A 9 PHE HBy A 13 GLU HBx 1.0 . 4.87 1179 986 A 10 GLN H A 10 GLN HGy 1.0 . 4.33 1180 986 A 10 GLN H A 10 GLN HGx 1.0 . 4.33 1181 987 A 10 GLN HA A 10 GLN HGy 1.0 . 3.58 1182 987 A 10 GLN HA A 10 GLN HGx 1.0 . 3.58 1183 988 A 10 GLN HBx A 10 GLN HE2x 1.0 . 4.51 1184 988 A 10 GLN HBy A 10 GLN HE2x 1.0 . 4.51 1185 988 A 10 GLN HE2y A 10 GLN HBx 1.0 . 4.51 1186 988 A 10 GLN HBy A 10 GLN HE2y 1.0 . 4.51 1187 989 A 10 GLN HBy A 11 ASN HBx 1.0 . 4.44 1188 989 A 10 GLN HBx A 11 ASN HBx 1.0 . 4.44 1189 989 A 11 ASN HBy A 10 GLN HBx 1.0 . 4.44 1190 989 A 10 GLN HBy A 11 ASN HBy 1.0 . 4.44 1191 990 A 10 GLN HE2y A 10 GLN HGy 1.0 . 3.18 1192 990 A 10 GLN HE2x A 10 GLN HGy 1.0 . 3.18 1193 990 A 10 GLN HGx A 10 GLN HE2x 1.0 . 3.18 1194 990 A 10 GLN HGx A 10 GLN HE2y 1.0 . 3.18 1195 991 A 11 ASN HBx A 11 ASN HD2x 1.0 . 3.19 1196 991 A 11 ASN HBy A 11 ASN HD2x 1.0 . 3.19 1197 991 A 11 ASN HD2y A 11 ASN HBx 1.0 . 3.19 1198 991 A 11 ASN HBy A 11 ASN HD2y 1.0 . 3.19 1199 992 A 13 GLU H A 11 ASN HD2x 1.0 . 4.60 1200 992 A 13 GLU H A 11 ASN HD2y 1.0 . 4.60 1201 993 A 11 ASN HD2y A 13 GLU HBy 1.0 . 3.93 1202 993 A 11 ASN HD2x A 13 GLU HBy 1.0 . 3.93 1203 993 A 13 GLU HBx A 11 ASN HD2x 1.0 . 3.93 1204 993 A 13 GLU HBx A 11 ASN HD2y 1.0 . 3.93 1205 994 A 11 ASN HD2x A 13 GLU HGy 1.0 . 3.78 1206 994 A 11 ASN HD2y A 13 GLU HGy 1.0 . 3.78 1207 994 A 13 GLU HGx A 11 ASN HD2x 1.0 . 3.78 1208 994 A 11 ASN HD2y A 13 GLU HGx 1.0 . 3.78 1209 995 A 12 GLY H A 13 GLU HBy 1.0 . 5.01 1210 995 A 12 GLY H A 13 GLU HBx 1.0 . 5.01 1211 996 A 13 GLU H A 13 GLU HBy 1.0 . 3.00 1212 996 A 13 GLU H A 13 GLU HBx 1.0 . 3.00 1213 997 A 13 GLU HA A 13 GLU HGy 1.0 . 3.41 1214 997 A 13 GLU HA A 13 GLU HGx 1.0 . 3.41 1215 998 A 14 LYS H A 13 GLU HBy 1.0 . 3.31 1216 998 A 14 LYS H A 13 GLU HBx 1.0 . 3.31 1217 999 A 13 GLU HBx A 14 LYS HEx 1.0 . 4.59 1218 999 A 13 GLU HBy A 14 LYS HEx 1.0 . 4.59 1219 999 A 14 LYS HEy A 13 GLU HBy 1.0 . 4.59 1220 999 A 14 LYS HEy A 13 GLU HBx 1.0 . 4.59 1221 1000 A 14 LYS H A 13 GLU HGy 1.0 . 4.72 1222 1000 A 14 LYS H A 13 GLU HGx 1.0 . 4.72 1223 1001 A 15 LEU HA A 16 LYS HBx 1.0 . 4.68 1224 1001 A 15 LEU HA A 16 LYS HBy 1.0 . 4.68 1225 1002 A 15 LEU HDx% A 35 LYS HDy 1.0 . 3.81 1226 1002 A 15 LEU HDx% A 35 LYS HDx 1.0 . 3.81 1227 1003 A 16 LYS H A 16 LYS HBx 1.0 . 3.00 1228 1003 A 16 LYS H A 16 LYS HBy 1.0 . 3.00 1229 1004 A 16 LYS HBy A 16 LYS HEx 1.0 . 4.41 1230 1004 A 16 LYS HBx A 16 LYS HEx 1.0 . 4.41 1231 1004 A 16 LYS HEy A 16 LYS HBx 1.0 . 4.41 1232 1004 A 16 LYS HEy A 16 LYS HBy 1.0 . 4.41 1233 1005 A 17 PHE H A 16 LYS HBx 1.0 . 3.44 1234 1005 A 17 PHE H A 16 LYS HBy 1.0 . 3.44 1235 1006 A 17 PHE HBx A 31 MET HBx 1.0 . 5.14 1236 1006 A 17 PHE HBx A 31 MET HBy 1.0 . 5.14 1237 1007 A 17 PHE HBy A 18 ASN HBx 1.0 . 4.87 1238 1007 A 17 PHE HBy A 18 ASN HBy 1.0 . 4.87 1239 1008 A 17 PHE HD% A 31 MET HBx 1.0 . 4.62 1240 1008 A 17 PHE HD% A 31 MET HBy 1.0 . 4.62 1241 1009 A 17 PHE HE% A 35 LYS HGx 1.0 . 5.07 1242 1009 A 17 PHE HE% A 35 LYS HGy 1.0 . 5.07 1243 1010 A 17 PHE HE% A 35 LYS HDy 1.0 . 4.63 1244 1010 A 17 PHE HE% A 35 LYS HDx 1.0 . 4.63 1245 1011 A 18 ASN H A 18 ASN HBx 1.0 . 3.55 1246 1011 A 18 ASN H A 18 ASN HBy 1.0 . 3.55 1247 1012 A 19 VAL H A 18 ASN HBx 1.0 . 4.06 1248 1012 A 19 VAL H A 18 ASN HBy 1.0 . 4.06 1249 1013 A 19 VAL HB A 18 ASN HBx 1.0 . 5.34 1250 1013 A 19 VAL HB A 18 ASN HBy 1.0 . 5.34 1251 1014 A 19 VAL HGx% A 28 ILE HG1y 1.0 . 4.89 1252 1014 A 19 VAL HGx% A 28 ILE HG1x 1.0 . 4.89 1253 1015 A 19 VAL HGy% A 28 ILE HG1y 1.0 . 4.05 1254 1015 A 19 VAL HGy% A 28 ILE HG1x 1.0 . 4.05 1255 1016 A 20 GLN H A 20 GLN HBx 1.0 . 3.67 1256 1016 A 20 GLN H A 20 GLN HBy 1.0 . 3.67 1257 1017 A 20 GLN H A 20 GLN HGx 1.0 . 3.77 1258 1017 A 20 GLN H A 20 GLN HGy 1.0 . 3.77 1259 1018 A 20 GLN HA A 21 PRO HDx 1.0 . 3.00 1260 1018 A 20 GLN HA A 21 PRO HDy 1.0 . 3.00 1261 1019 A 20 GLN HBx A 21 PRO HDx 1.0 . 3.90 1262 1019 A 20 GLN HBy A 21 PRO HDx 1.0 . 3.90 1263 1019 A 21 PRO HDy A 20 GLN HBx 1.0 . 3.90 1264 1019 A 20 GLN HBy A 21 PRO HDy 1.0 . 3.90 1265 1020 A 22 SER H A 20 GLN HBx 1.0 . 3.70 1266 1020 A 22 SER H A 20 GLN HBy 1.0 . 3.70 1267 1021 A 23 HIS H A 20 GLN HBx 1.0 . 4.01 1268 1021 A 23 HIS H A 20 GLN HBy 1.0 . 4.01 1269 1022 A 59 SER HBx A 21 PRO HBy 1.0 . 4.04 1270 1022 A 59 SER HBx A 21 PRO HBx 1.0 . 4.04 1271 1023 A 59 SER HBy A 21 PRO HBy 1.0 . 5.34 1272 1023 A 59 SER HBy A 21 PRO HBx 1.0 . 5.34 1273 1024 A 64 ILE HA A 21 PRO HBy 1.0 . 3.87 1274 1024 A 64 ILE HA A 21 PRO HBx 1.0 . 3.87 1275 1025 A 22 SER H A 21 PRO HDx 1.0 . 3.70 1276 1025 A 22 SER H A 21 PRO HDy 1.0 . 3.70 1277 1026 A 22 SER H A 22 SER HBx 1.0 . 3.51 1278 1026 A 22 SER H A 22 SER HBy 1.0 . 3.51 1279 1027 A 23 HIS HD2 A 27 ASP HBy 1.0 . 4.16 1280 1027 A 23 HIS HD2 A 27 ASP HBx 1.0 . 4.16 1281 1028 A 24 LYS H A 27 ASP HBy 1.0 . 3.69 1282 1028 A 24 LYS H A 27 ASP HBx 1.0 . 3.69 1283 1029 A 25 ILE HG2% A 52 MET HBx 1.0 . 3.28 1284 1029 A 25 ILE HG2% A 52 MET HBy 1.0 . 3.28 1285 1030 A 25 ILE HG2% A 52 MET HGx 1.0 . 3.79 1286 1030 A 25 ILE HG2% A 52 MET HGy 1.0 . 3.79 1287 1031 A 25 ILE HG1y A 52 MET HBx 1.0 . 4.00 1288 1031 A 25 ILE HG1y A 52 MET HBy 1.0 . 4.00 1289 1032 A 25 ILE HG1y A 52 MET HGx 1.0 . 5.34 1290 1032 A 25 ILE HG1y A 52 MET HGy 1.0 . 5.34 1291 1033 A 25 ILE HD1% A 28 ILE HG1y 1.0 . 4.27 1292 1033 A 25 ILE HD1% A 28 ILE HG1x 1.0 . 4.27 1293 1034 A 25 ILE HD1% A 52 MET HBx 1.0 . 4.41 1294 1034 A 25 ILE HD1% A 52 MET HBy 1.0 . 4.41 1295 1035 A 25 ILE HD1% A 58 LEU HBy 1.0 . 4.51 1296 1035 A 25 ILE HD1% A 58 LEU HBx 1.0 . 4.51 1297 1036 A 27 ASP H A 26 LEU HBy 1.0 . 3.73 1298 1036 A 27 ASP H A 26 LEU HBx 1.0 . 3.73 1299 1037 A 54 ASN HA A 26 LEU HBy 1.0 . 4.10 1300 1037 A 54 ASN HA A 26 LEU HBx 1.0 . 4.10 1301 1038 A 26 LEU HBx A 54 ASN HBx 1.0 . 3.37 1302 1038 A 26 LEU HBy A 54 ASN HBx 1.0 . 3.37 1303 1038 A 54 ASN HBy A 26 LEU HBy 1.0 . 3.37 1304 1038 A 26 LEU HBx A 54 ASN HBy 1.0 . 3.37 1305 1039 A 26 LEU HBx A 54 ASN HD2x 1.0 . 4.71 1306 1039 A 26 LEU HBy A 54 ASN HD2x 1.0 . 4.71 1307 1039 A 54 ASN HD2y A 26 LEU HBy 1.0 . 4.71 1308 1039 A 26 LEU HBx A 54 ASN HD2y 1.0 . 4.71 1309 1040 A 27 ASP H A 27 ASP HBy 1.0 . 3.17 1310 1040 A 27 ASP H A 27 ASP HBx 1.0 . 3.17 1311 1041 A 28 ILE H A 27 ASP HBy 1.0 . 3.58 1312 1041 A 28 ILE H A 27 ASP HBx 1.0 . 3.58 1313 1042 A 31 MET HE% A 27 ASP HBy 1.0 . 4.77 1314 1042 A 31 MET HE% A 27 ASP HBx 1.0 . 4.77 1315 1043 A 28 ILE H A 28 ILE HG1y 1.0 . 3.20 1316 1043 A 28 ILE H A 28 ILE HG1x 1.0 . 3.20 1317 1044 A 28 ILE HA A 28 ILE HG1y 1.0 . 3.42 1318 1044 A 28 ILE HA A 28 ILE HG1x 1.0 . 3.42 1319 1045 A 28 ILE HA A 31 MET HBx 1.0 . 3.89 1320 1045 A 28 ILE HA A 31 MET HBy 1.0 . 3.89 1321 1046 A 28 ILE HA A 31 MET HGx 1.0 . 4.52 1322 1046 A 28 ILE HA A 31 MET HGy 1.0 . 4.52 1323 1047 A 29 LYS HA A 45 LEU HDy% 1.0 . 4.34 1324 1047 A 29 LYS HA A 45 LEU HDx% 1.0 . 4.34 1325 1048 A 29 LYS HBx A 40 VAL HGx% 1.0 . 3.17 1326 1048 A 29 LYS HBx A 40 VAL HGy% 1.0 . 3.17 1327 1049 A 29 LYS HGx A 40 VAL HGx% 1.0 . 3.43 1328 1049 A 40 VAL HGy% A 29 LYS HGx 1.0 . 3.43 1329 1049 A 29 LYS HGy A 40 VAL HGy% 1.0 . 3.43 1330 1049 A 29 LYS HGy A 40 VAL HGx% 1.0 . 3.43 1331 1050 A 29 LYS HDy A 40 VAL HGx% 1.0 . 3.83 1332 1050 A 29 LYS HDx A 40 VAL HGx% 1.0 . 3.83 1333 1050 A 40 VAL HGy% A 29 LYS HDx 1.0 . 3.83 1334 1050 A 29 LYS HDy A 40 VAL HGy% 1.0 . 3.83 1335 1051 A 29 LYS HEy A 40 VAL HGx% 1.0 . 5.24 1336 1051 A 29 LYS HEx A 40 VAL HGx% 1.0 . 5.24 1337 1051 A 40 VAL HGy% A 29 LYS HEx 1.0 . 5.24 1338 1051 A 29 LYS HEy A 40 VAL HGy% 1.0 . 5.24 1339 1052 A 30 GLU H A 30 GLU HGx 1.0 . 4.03 1340 1052 A 30 GLU H A 30 GLU HGy 1.0 . 4.03 1341 1053 A 30 GLU H A 40 VAL HGx% 1.0 . 3.75 1342 1053 A 30 GLU H A 40 VAL HGy% 1.0 . 3.75 1343 1054 A 30 GLU HA A 40 VAL HGx% 1.0 . 3.48 1344 1054 A 30 GLU HA A 40 VAL HGy% 1.0 . 3.48 1345 1055 A 30 GLU HBy A 40 VAL HGx% 1.0 . 4.41 1346 1055 A 30 GLU HBy A 40 VAL HGy% 1.0 . 4.41 1347 1056 A 30 GLU HBx A 40 VAL HGx% 1.0 . 5.17 1348 1056 A 30 GLU HBx A 40 VAL HGy% 1.0 . 5.17 1349 1057 A 30 GLU HGx A 40 VAL HGx% 1.0 . 3.85 1350 1057 A 30 GLU HGy A 40 VAL HGx% 1.0 . 3.85 1351 1057 A 40 VAL HGy% A 30 GLU HGx 1.0 . 3.85 1352 1057 A 40 VAL HGy% A 30 GLU HGy 1.0 . 3.85 1353 1058 A 31 MET H A 31 MET HBx 1.0 . 3.14 1354 1058 A 31 MET H A 31 MET HBy 1.0 . 3.14 1355 1059 A 31 MET H A 31 MET HGx 1.0 . 3.14 1356 1059 A 31 MET H A 31 MET HGy 1.0 . 3.14 1357 1060 A 31 MET HA A 31 MET HGx 1.0 . 3.43 1358 1060 A 31 MET HA A 31 MET HGy 1.0 . 3.43 1359 1061 A 31 MET HA A 34 LYS HGy 1.0 . 4.18 1360 1061 A 31 MET HA A 34 LYS HGx 1.0 . 4.18 1361 1062 A 31 MET HE% A 31 MET HBx 1.0 . 3.16 1362 1062 A 31 MET HE% A 31 MET HBy 1.0 . 3.16 1363 1063 A 32 ILE H A 31 MET HBx 1.0 . 3.85 1364 1063 A 32 ILE H A 31 MET HBy 1.0 . 3.85 1365 1064 A 33 PHE HBy A 40 VAL HGx% 1.0 . 3.90 1366 1064 A 33 PHE HBy A 40 VAL HGy% 1.0 . 3.90 1367 1065 A 33 PHE HBx A 40 VAL HGx% 1.0 . 4.10 1368 1065 A 33 PHE HBx A 40 VAL HGy% 1.0 . 4.10 1369 1066 A 34 LYS HA A 34 LYS HGy 1.0 . 3.42 1370 1066 A 34 LYS HA A 34 LYS HGx 1.0 . 3.42 1371 1067 A 34 LYS HBx A 34 LYS HDy 1.0 . 3.59 1372 1067 A 34 LYS HBx A 34 LYS HDx 1.0 . 3.59 1373 1068 A 34 LYS HEy A 34 LYS HGy 1.0 . 3.64 1374 1068 A 34 LYS HEx A 34 LYS HGy 1.0 . 3.64 1375 1068 A 34 LYS HGx A 34 LYS HEx 1.0 . 3.64 1376 1068 A 34 LYS HEy A 34 LYS HGx 1.0 . 3.64 1377 1069 A 35 LYS H A 35 LYS HGx 1.0 . 4.52 1378 1069 A 35 LYS H A 35 LYS HGy 1.0 . 4.52 1379 1070 A 35 LYS H A 35 LYS HDy 1.0 . 5.12 1380 1070 A 35 LYS H A 35 LYS HDx 1.0 . 5.12 1381 1071 A 35 LYS HA A 35 LYS HDy 1.0 . 4.12 1382 1071 A 35 LYS HA A 35 LYS HDx 1.0 . 4.12 1383 1072 A 35 LYS HBx A 35 LYS HDy 1.0 . 3.19 1384 1072 A 35 LYS HBy A 35 LYS HDy 1.0 . 3.19 1385 1072 A 35 LYS HDx A 35 LYS HBx 1.0 . 3.19 1386 1072 A 35 LYS HBy A 35 LYS HDx 1.0 . 3.19 1387 1073 A 35 LYS HBy A 35 LYS HEx 1.0 . 4.37 1388 1073 A 35 LYS HBx A 35 LYS HEx 1.0 . 4.37 1389 1073 A 35 LYS HEy A 35 LYS HBx 1.0 . 4.37 1390 1073 A 35 LYS HBy A 35 LYS HEy 1.0 . 4.37 1391 1074 A 35 LYS HDy A 35 LYS HGx 1.0 . 2.33 1392 1074 A 35 LYS HDx A 35 LYS HGx 1.0 . 2.33 1393 1074 A 35 LYS HGy A 35 LYS HDy 1.0 . 2.33 1394 1074 A 35 LYS HDx A 35 LYS HGy 1.0 . 2.33 1395 1075 A 36 THR H A 35 LYS HGx 1.0 . 4.72 1396 1075 A 36 THR H A 35 LYS HGy 1.0 . 4.72 1397 1076 A 36 THR HA A 37 ASN HBx 1.0 . 4.79 1398 1076 A 36 THR HA A 37 ASN HBy 1.0 . 4.79 1399 1077 A 37 ASN H A 37 ASN HBx 1.0 . 3.67 1400 1077 A 37 ASN H A 37 ASN HBy 1.0 . 3.67 1401 1078 A 37 ASN HBx A 37 ASN HD2x 1.0 . 3.22 1402 1078 A 37 ASN HD2y A 37 ASN HBx 1.0 . 3.22 1403 1078 A 37 ASN HBy A 37 ASN HD2y 1.0 . 3.22 1404 1078 A 37 ASN HBy A 37 ASN HD2x 1.0 . 3.22 1405 1079 A 38 ILE HG2% A 42 ASP HBy 1.0 . 3.32 1406 1079 A 38 ILE HG2% A 42 ASP HBx 1.0 . 3.32 1407 1080 A 39 ASN H A 39 ASN HD2x 1.0 . 4.81 1408 1080 A 39 ASN H A 39 ASN HD2y 1.0 . 4.81 1409 1081 A 39 ASN HA A 40 VAL HGx% 1.0 . 4.10 1410 1081 A 39 ASN HA A 40 VAL HGy% 1.0 . 4.10 1411 1082 A 39 ASN HA A 41 LYS HGy 1.0 . 4.96 1412 1082 A 39 ASN HA A 41 LYS HGx 1.0 . 4.96 1413 1083 A 39 ASN HA A 42 ASP HBy 1.0 . 4.84 1414 1083 A 39 ASN HA A 42 ASP HBx 1.0 . 4.84 1415 1084 A 39 ASN HBy A 41 LYS HGy 1.0 . 4.45 1416 1084 A 39 ASN HBy A 41 LYS HGx 1.0 . 4.45 1417 1085 A 39 ASN HBx A 41 LYS HBy 1.0 . 5.34 1418 1085 A 39 ASN HBx A 41 LYS HBx 1.0 . 5.34 1419 1086 A 39 ASN HBx A 41 LYS HGy 1.0 . 4.33 1420 1086 A 39 ASN HBx A 41 LYS HGx 1.0 . 4.33 1421 1087 A 40 VAL H A 40 VAL HGx% 1.0 . 2.93 1422 1087 A 40 VAL H A 40 VAL HGy% 1.0 . 2.93 1423 1088 A 40 VAL HA A 40 VAL HGx% 1.0 . 2.87 1424 1088 A 40 VAL HA A 40 VAL HGy% 1.0 . 2.87 1425 1089 A 41 LYS H A 40 VAL HGx% 1.0 . 3.47 1426 1089 A 41 LYS H A 40 VAL HGy% 1.0 . 3.47 1427 1090 A 41 LYS HA A 40 VAL HGx% 1.0 . 3.64 1428 1090 A 41 LYS HA A 40 VAL HGy% 1.0 . 3.64 1429 1091 A 40 VAL HGy% A 41 LYS HBy 1.0 . 4.06 1430 1091 A 41 LYS HBx A 40 VAL HGx% 1.0 . 4.06 1431 1091 A 40 VAL HGy% A 41 LYS HBx 1.0 . 4.06 1432 1091 A 40 VAL HGx% A 41 LYS HBy 1.0 . 4.06 1433 1092 A 43 GLN HE2y A 40 VAL HGx% 1.0 . 3.75 1434 1092 A 43 GLN HE2y A 40 VAL HGy% 1.0 . 3.75 1435 1093 A 41 LYS H A 41 LYS HBy 1.0 . 3.57 1436 1093 A 41 LYS H A 41 LYS HBx 1.0 . 3.57 1437 1094 A 41 LYS H A 41 LYS HGy 1.0 . 3.44 1438 1094 A 41 LYS H A 41 LYS HGx 1.0 . 3.44 1439 1095 A 41 LYS HBy A 41 LYS HDx 1.0 . 3.31 1440 1095 A 41 LYS HBx A 41 LYS HDx 1.0 . 3.31 1441 1095 A 41 LYS HDy A 41 LYS HBy 1.0 . 3.31 1442 1095 A 41 LYS HDy A 41 LYS HBx 1.0 . 3.31 1443 1096 A 42 ASP H A 41 LYS HBy 1.0 . 3.76 1444 1096 A 42 ASP H A 41 LYS HBx 1.0 . 3.76 1445 1097 A 42 ASP HA A 41 LYS HGy 1.0 . 4.59 1446 1097 A 42 ASP HA A 41 LYS HGx 1.0 . 4.59 1447 1098 A 42 ASP HBx A 43 GLN HBx 1.0 . 4.28 1448 1098 A 42 ASP HBy A 43 GLN HBx 1.0 . 4.28 1449 1098 A 43 GLN HBy A 42 ASP HBy 1.0 . 4.28 1450 1098 A 43 GLN HBy A 42 ASP HBx 1.0 . 4.28 1451 1099 A 43 GLN H A 78 LEU HDx% 1.0 . 5.25 1452 1099 A 43 GLN H A 78 LEU HDy% 1.0 . 5.25 1453 1100 A 43 GLN HA A 78 LEU HDx% 1.0 . 3.72 1454 1100 A 43 GLN HA A 78 LEU HDy% 1.0 . 3.72 1455 1101 A 43 GLN HBx A 78 LEU HDx% 1.0 . 3.44 1456 1101 A 43 GLN HBy A 78 LEU HDx% 1.0 . 3.44 1457 1101 A 78 LEU HDy% A 43 GLN HBx 1.0 . 3.44 1458 1101 A 43 GLN HBy A 78 LEU HDy% 1.0 . 3.44 1459 1102 A 44 SER H A 45 LEU HDy% 1.0 . 5.30 1460 1102 A 44 SER H A 45 LEU HDx% 1.0 . 5.30 1461 1103 A 44 SER H A 75 GLU HBx 1.0 . 4.17 1462 1103 A 44 SER H A 75 GLU HBy 1.0 . 4.17 1463 1104 A 44 SER H A 78 LEU HDx% 1.0 . 3.32 1464 1104 A 44 SER H A 78 LEU HDy% 1.0 . 3.32 1465 1105 A 44 SER HBx A 75 GLU HBx 1.0 . 3.44 1466 1105 A 44 SER HBy A 75 GLU HBx 1.0 . 3.44 1467 1105 A 75 GLU HBy A 44 SER HBx 1.0 . 3.44 1468 1105 A 44 SER HBy A 75 GLU HBy 1.0 . 3.44 1469 1106 A 44 SER HBx A 78 LEU HDx% 1.0 . 4.24 1470 1106 A 44 SER HBy A 78 LEU HDx% 1.0 . 4.24 1471 1106 A 78 LEU HDy% A 44 SER HBx 1.0 . 4.24 1472 1106 A 44 SER HBy A 78 LEU HDy% 1.0 . 4.24 1473 1107 A 45 LEU H A 45 LEU HBy 1.0 . 3.22 1474 1107 A 45 LEU H A 45 LEU HBx 1.0 . 3.22 1475 1108 A 45 LEU H A 45 LEU HDy% 1.0 . 4.60 1476 1108 A 45 LEU H A 45 LEU HDx% 1.0 . 4.60 1477 1109 A 45 LEU HA A 45 LEU HDy% 1.0 . 3.35 1478 1109 A 45 LEU HA A 45 LEU HDx% 1.0 . 3.35 1479 1110 A 46 LYS H A 45 LEU HDy% 1.0 . 3.79 1480 1110 A 46 LYS H A 45 LEU HDx% 1.0 . 3.79 1481 1111 A 72 LEU HBy A 45 LEU HDy% 1.0 . 3.60 1482 1111 A 72 LEU HBy A 45 LEU HDx% 1.0 . 3.60 1483 1112 A 72 LEU HBx A 45 LEU HDy% 1.0 . 3.73 1484 1112 A 72 LEU HBx A 45 LEU HDx% 1.0 . 3.73 1485 1113 A 73 HIS HBx A 45 LEU HDy% 1.0 . 5.44 1486 1113 A 73 HIS HBx A 45 LEU HDx% 1.0 . 5.44 1487 1114 A 46 LYS H A 46 LYS HGy 1.0 . 3.76 1488 1114 A 46 LYS H A 46 LYS HGx 1.0 . 3.76 1489 1115 A 46 LYS HA A 46 LYS HGy 1.0 . 3.57 1490 1115 A 46 LYS HA A 46 LYS HGx 1.0 . 3.57 1491 1116 A 46 LYS HA A 47 PHE HBy 1.0 . 4.74 1492 1116 A 46 LYS HA A 47 PHE HBx 1.0 . 4.74 1493 1117 A 46 LYS HBx A 49 GLY HAx 1.0 . 4.26 1494 1117 A 46 LYS HBx A 49 GLY HAy 1.0 . 4.26 1495 1118 A 46 LYS HEy A 46 LYS HGy 1.0 . 3.58 1496 1118 A 46 LYS HEx A 46 LYS HGy 1.0 . 3.58 1497 1118 A 46 LYS HGx A 46 LYS HEx 1.0 . 3.58 1498 1118 A 46 LYS HEy A 46 LYS HGx 1.0 . 3.58 1499 1119 A 47 PHE H A 46 LYS HGy 1.0 . 4.23 1500 1119 A 47 PHE H A 46 LYS HGx 1.0 . 4.23 1501 1120 A 51 GLU HA A 46 LYS HGy 1.0 . 3.34 1502 1120 A 51 GLU HA A 46 LYS HGx 1.0 . 3.34 1503 1121 A 46 LYS HGx A 51 GLU HBx 1.0 . 3.85 1504 1121 A 51 GLU HBy A 46 LYS HGy 1.0 . 3.85 1505 1121 A 51 GLU HBy A 46 LYS HGx 1.0 . 3.85 1506 1121 A 46 LYS HGy A 51 GLU HBx 1.0 . 3.85 1507 1122 A 52 MET H A 46 LYS HGy 1.0 . 3.75 1508 1122 A 52 MET H A 46 LYS HGx 1.0 . 3.75 1509 1123 A 46 LYS HDx A 51 GLU HGx 1.0 . 4.25 1510 1123 A 51 GLU HGy A 46 LYS HDy 1.0 . 4.25 1511 1123 A 51 GLU HGy A 46 LYS HDx 1.0 . 4.25 1512 1123 A 46 LYS HDy A 51 GLU HGx 1.0 . 4.25 1513 1124 A 47 PHE H A 47 PHE HBy 1.0 . 3.27 1514 1124 A 47 PHE H A 47 PHE HBx 1.0 . 3.27 1515 1125 A 47 PHE H A 52 MET HGx 1.0 . 4.01 1516 1125 A 47 PHE H A 52 MET HGy 1.0 . 4.01 1517 1126 A 47 PHE HA A 72 LEU HDy% 1.0 . 4.25 1518 1126 A 47 PHE HA A 72 LEU HDx% 1.0 . 4.25 1519 1127 A 48 ALA HB% A 47 PHE HBy 1.0 . 4.30 1520 1127 A 48 ALA HB% A 47 PHE HBx 1.0 . 4.30 1521 1128 A 47 PHE HBx A 52 MET HGx 1.0 . 4.43 1522 1128 A 47 PHE HBy A 52 MET HGx 1.0 . 4.43 1523 1128 A 52 MET HGy A 47 PHE HBy 1.0 . 4.43 1524 1128 A 52 MET HGy A 47 PHE HBx 1.0 . 4.43 1525 1129 A 52 MET HE% A 47 PHE HBy 1.0 . 4.04 1526 1129 A 52 MET HE% A 47 PHE HBx 1.0 . 4.04 1527 1130 A 47 PHE HBy A 72 LEU HDy% 1.0 . 3.48 1528 1130 A 47 PHE HBx A 72 LEU HDy% 1.0 . 3.48 1529 1130 A 72 LEU HDx% A 47 PHE HBy 1.0 . 3.48 1530 1130 A 72 LEU HDx% A 47 PHE HBx 1.0 . 3.48 1531 1131 A 47 PHE HD% A 72 LEU HDy% 1.0 . 3.87 1532 1131 A 47 PHE HD% A 72 LEU HDx% 1.0 . 3.87 1533 1132 A 48 ALA HA A 49 GLY HAx 1.0 . 4.26 1534 1132 A 48 ALA HA A 49 GLY HAy 1.0 . 4.26 1535 1133 A 48 ALA HB% A 49 GLY HAx 1.0 . 5.19 1536 1133 A 48 ALA HB% A 49 GLY HAy 1.0 . 5.19 1537 1134 A 48 ALA HB% A 50 ASN HD2y 1.0 . 4.32 1538 1134 A 48 ALA HB% A 50 ASN HD2x 1.0 . 4.32 1539 1135 A 50 ASN H A 50 ASN HBx 1.0 . 3.20 1540 1135 A 50 ASN H A 50 ASN HBy 1.0 . 3.20 1541 1136 A 50 ASN H A 50 ASN HD2y 1.0 . 4.56 1542 1136 A 50 ASN H A 50 ASN HD2x 1.0 . 4.56 1543 1137 A 50 ASN HD2x A 50 ASN HBy 1.0 . 3.14 1544 1137 A 50 ASN HD2x A 50 ASN HBx 1.0 . 3.14 1545 1137 A 50 ASN HD2y A 50 ASN HBx 1.0 . 3.14 1546 1137 A 50 ASN HD2y A 50 ASN HBy 1.0 . 3.14 1547 1138 A 51 GLU HA A 52 MET HBx 1.0 . 5.19 1548 1138 A 51 GLU HA A 52 MET HBy 1.0 . 5.19 1549 1139 A 52 MET H A 52 MET HBx 1.0 . 3.26 1550 1139 A 52 MET H A 52 MET HBy 1.0 . 3.26 1551 1140 A 52 MET H A 52 MET HGx 1.0 . 3.57 1552 1140 A 52 MET H A 52 MET HGy 1.0 . 3.57 1553 1141 A 52 MET HA A 52 MET HGx 1.0 . 3.48 1554 1141 A 52 MET HA A 52 MET HGy 1.0 . 3.48 1555 1142 A 53 ILE HA A 52 MET HBx 1.0 . 5.34 1556 1142 A 53 ILE HA A 52 MET HBy 1.0 . 5.34 1557 1143 A 53 ILE H A 53 ILE HG1y 1.0 . 3.28 1558 1143 A 53 ILE H A 53 ILE HG1x 1.0 . 3.28 1559 1144 A 53 ILE HA A 53 ILE HG1y 1.0 . 3.68 1560 1144 A 53 ILE HA A 53 ILE HG1x 1.0 . 3.68 1561 1145 A 53 ILE HG2% A 53 ILE HG1y 1.0 . 2.84 1562 1145 A 53 ILE HG2% A 53 ILE HG1x 1.0 . 2.84 1563 1146 A 53 ILE HG2% A 54 ASN HBx 1.0 . 4.07 1564 1146 A 53 ILE HG2% A 54 ASN HBy 1.0 . 4.07 1565 1147 A 53 ILE HG2% A 55 GLN HBx 1.0 . 4.59 1566 1147 A 53 ILE HG2% A 55 GLN HBy 1.0 . 4.59 1567 1148 A 54 ASN H A 54 ASN HBx 1.0 . 3.31 1568 1148 A 54 ASN H A 54 ASN HBy 1.0 . 3.31 1569 1149 A 55 GLN H A 54 ASN HBx 1.0 . 3.79 1570 1149 A 55 GLN H A 54 ASN HBy 1.0 . 3.79 1571 1150 A 55 GLN H A 54 ASN HD2x 1.0 . 4.47 1572 1150 A 55 GLN H A 54 ASN HD2y 1.0 . 4.47 1573 1151 A 55 GLN H A 55 GLN HBx 1.0 . 3.13 1574 1151 A 55 GLN H A 55 GLN HBy 1.0 . 3.13 1575 1152 A 56 LYS HBy A 60 ASP HBy 1.0 . 4.70 1576 1152 A 56 LYS HBy A 60 ASP HBx 1.0 . 4.70 1577 1153 A 56 LYS HBx A 60 ASP HBy 1.0 . 4.02 1578 1153 A 56 LYS HBx A 60 ASP HBx 1.0 . 4.02 1579 1154 A 56 LYS HGy A 60 ASP HBy 1.0 . 4.25 1580 1154 A 56 LYS HGy A 60 ASP HBx 1.0 . 4.25 1581 1155 A 56 LYS HDx A 60 ASP HBy 1.0 . 4.80 1582 1155 A 56 LYS HDy A 60 ASP HBy 1.0 . 4.80 1583 1155 A 60 ASP HBx A 56 LYS HDx 1.0 . 4.80 1584 1155 A 56 LYS HDy A 60 ASP HBx 1.0 . 4.80 1585 1156 A 57 THR H A 60 ASP HBy 1.0 . 3.63 1586 1156 A 57 THR H A 60 ASP HBx 1.0 . 3.63 1587 1157 A 57 THR HB A 58 LEU HBy 1.0 . 4.98 1588 1157 A 57 THR HB A 58 LEU HBx 1.0 . 4.98 1589 1158 A 58 LEU H A 58 LEU HBy 1.0 . 3.17 1590 1158 A 58 LEU H A 58 LEU HBx 1.0 . 3.17 1591 1159 A 59 SER H A 58 LEU HBy 1.0 . 3.36 1592 1159 A 59 SER H A 58 LEU HBx 1.0 . 3.36 1593 1160 A 59 SER HBy A 58 LEU HBy 1.0 . 5.34 1594 1160 A 59 SER HBy A 58 LEU HBx 1.0 . 5.34 1595 1161 A 63 ILE HB A 58 LEU HBy 1.0 . 4.57 1596 1161 A 63 ILE HB A 58 LEU HBx 1.0 . 4.57 1597 1162 A 63 ILE HG2% A 58 LEU HBy 1.0 . 4.04 1598 1162 A 63 ILE HG2% A 58 LEU HBx 1.0 . 4.04 1599 1163 A 60 ASP H A 60 ASP HBy 1.0 . 3.10 1600 1163 A 60 ASP H A 60 ASP HBx 1.0 . 3.10 1601 1164 A 61 TYR H A 60 ASP HBy 1.0 . 4.11 1602 1164 A 61 TYR H A 60 ASP HBx 1.0 . 4.11 1603 1165 A 63 ILE HG2% A 72 LEU HDy% 1.0 . 4.25 1604 1165 A 63 ILE HG2% A 72 LEU HDx% 1.0 . 4.25 1605 1166 A 63 ILE HD1% A 72 LEU HDy% 1.0 . 3.64 1606 1166 A 63 ILE HD1% A 72 LEU HDx% 1.0 . 3.64 1607 1167 A 64 ILE H A 64 ILE HG1y 1.0 . 3.50 1608 1167 A 64 ILE H A 64 ILE HG1x 1.0 . 3.50 1609 1168 A 68 GLU HA A 68 GLU HGx 1.0 . 3.59 1610 1168 A 68 GLU HA A 68 GLU HGy 1.0 . 3.59 1611 1169 A 69 GLU H A 68 GLU HGx 1.0 . 4.73 1612 1169 A 69 GLU H A 68 GLU HGy 1.0 . 4.73 1613 1170 A 69 GLU H A 69 GLU HBy 1.0 . 3.04 1614 1170 A 69 GLU H A 69 GLU HBx 1.0 . 3.04 1615 1171 A 69 GLU H A 69 GLU HGy 1.0 . 5.25 1616 1171 A 69 GLU H A 69 GLU HGx 1.0 . 5.25 1617 1172 A 70 PHE H A 69 GLU HBy 1.0 . 4.24 1618 1172 A 70 PHE H A 69 GLU HBx 1.0 . 4.24 1619 1173 A 70 PHE H A 69 GLU HGy 1.0 . 4.13 1620 1173 A 70 PHE H A 69 GLU HGx 1.0 . 4.13 1621 1174 A 70 PHE HBy A 72 LEU HDy% 1.0 . 5.31 1622 1174 A 70 PHE HBx A 72 LEU HDy% 1.0 . 5.31 1623 1174 A 72 LEU HDx% A 70 PHE HBx 1.0 . 5.31 1624 1174 A 70 PHE HBy A 72 LEU HDx% 1.0 . 5.31 1625 1175 A 70 PHE HD% A 72 LEU HDy% 1.0 . 4.73 1626 1175 A 70 PHE HD% A 72 LEU HDx% 1.0 . 4.73 1627 1176 A 71 THR HA A 72 LEU HDy% 1.0 . 5.44 1628 1176 A 71 THR HA A 72 LEU HDx% 1.0 . 5.44 1629 1177 A 72 LEU H A 72 LEU HDy% 1.0 . 3.77 1630 1177 A 72 LEU H A 72 LEU HDx% 1.0 . 3.77 1631 1178 A 72 LEU HA A 72 LEU HDy% 1.0 . 3.31 1632 1178 A 72 LEU HA A 72 LEU HDx% 1.0 . 3.31 1633 1179 A 73 HIS H A 72 LEU HDy% 1.0 . 3.96 1634 1179 A 73 HIS H A 72 LEU HDx% 1.0 . 3.96 1635 1180 A 73 HIS HBx A 72 LEU HDy% 1.0 . 5.44 1636 1180 A 73 HIS HBx A 72 LEU HDx% 1.0 . 5.44 1637 1181 A 74 LEU HA A 78 LEU HDx% 1.0 . 4.04 1638 1181 A 74 LEU HA A 78 LEU HDy% 1.0 . 4.04 1639 1182 A 74 LEU HG A 78 LEU HDx% 1.0 . 3.13 1640 1182 A 74 LEU HG A 78 LEU HDy% 1.0 . 3.13 1641 1183 A 74 LEU HDx% A 78 LEU HDx% 1.0 . 2.89 1642 1183 A 74 LEU HDy% A 78 LEU HDx% 1.0 . 2.89 1643 1183 A 78 LEU HDy% A 74 LEU HDx% 1.0 . 2.89 1644 1183 A 74 LEU HDy% A 78 LEU HDy% 1.0 . 2.89 1645 1184 A 75 GLU H A 75 GLU HBx 1.0 . 3.43 1646 1184 A 75 GLU H A 75 GLU HBy 1.0 . 3.43 1647 1185 A 75 GLU H A 78 LEU HDx% 1.0 . 3.43 1648 1185 A 75 GLU H A 78 LEU HDy% 1.0 . 3.43 1649 1186 A 76 THR H A 75 GLU HBx 1.0 . 3.63 1650 1186 A 76 THR H A 75 GLU HBy 1.0 . 3.63 1651 1187 A 76 THR HA A 75 GLU HBx 1.0 . 5.34 1652 1187 A 76 THR HA A 75 GLU HBy 1.0 . 5.34 1653 1188 A 75 GLU HGy A 78 LEU HDx% 1.0 . 4.40 1654 1188 A 75 GLU HGx A 78 LEU HDx% 1.0 . 4.40 1655 1188 A 78 LEU HDy% A 75 GLU HGx 1.0 . 4.40 1656 1188 A 75 GLU HGy A 78 LEU HDy% 1.0 . 4.40 1657 1189 A 76 THR HA A 77 LYS HBx 1.0 . 5.34 1658 1189 A 76 THR HA A 77 LYS HBy 1.0 . 5.34 1659 1190 A 76 THR HA A 78 LEU HDx% 1.0 . 4.83 1660 1190 A 76 THR HA A 78 LEU HDy% 1.0 . 4.83 1661 1191 A 76 THR HG2% A 77 LYS HBx 1.0 . 4.95 1662 1191 A 76 THR HG2% A 77 LYS HBy 1.0 . 4.95 1663 1192 A 77 LYS H A 77 LYS HBx 1.0 . 3.51 1664 1192 A 77 LYS H A 77 LYS HBy 1.0 . 3.51 1665 1193 A 78 LEU H A 77 LYS HBx 1.0 . 4.21 1666 1193 A 78 LEU H A 77 LYS HBy 1.0 . 4.21 1667 1194 A 79 ASP H A 79 ASP HBx 1.0 . 3.43 1668 1194 A 79 ASP H A 79 ASP HBy 1.0 . 3.43 1669 1195 A 80 LEU H A 79 ASP HBx 1.0 . 4.41 1670 1195 A 80 LEU H A 79 ASP HBy 1.0 . 4.41 1671 1196 A 81 MET H A 81 MET HGx 1.0 . 4.62 1672 1196 A 81 MET H A 81 MET HGy 1.0 . 4.62 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 2 HIS C A 3 MET N A 3 MET CA A 3 MET C 1.0 -181.6 -55.8 PHI 2 2 A 3 MET N A 3 MET CA A 3 MET C A 4 GLN N 1.0 108.3 168.2 PSI 3 3 A 3 MET C A 4 GLN N A 4 GLN CA A 4 GLN C 1.0 -148.6 -75.8 PHI 4 4 A 4 GLN N A 4 GLN CA A 4 GLN C A 5 VAL N 1.0 117.0 174.4 PSI 5 5 A 4 GLN C A 5 VAL N A 5 VAL CA A 5 VAL C 1.0 -163.2 -109.5 PHI 6 6 A 5 VAL N A 5 VAL CA A 5 VAL C A 6 SER N 1.0 133.7 174.3 PSI 7 7 A 5 VAL C A 6 SER N A 6 SER CA A 6 SER C 1.0 -135.6 -78.1 PHI 8 8 A 6 SER N A 6 SER CA A 6 SER C A 7 ILE N 1.0 109.0 157.0 PSI 9 9 A 6 SER C A 7 ILE N A 7 ILE CA A 7 ILE C 1.0 -151.9 -67.8 PHI 10 10 A 7 ILE N A 7 ILE CA A 7 ILE C A 8 GLU N 1.0 103.7 158.3 PSI 11 11 A 7 ILE C A 8 GLU N A 8 GLU CA A 8 GLU C 1.0 -127.7 -62.0 PHI 12 12 A 8 GLU N A 8 GLU CA A 8 GLU C A 9 PHE N 1.0 110.7 153.2 PSI 13 13 A 8 GLU C A 9 PHE N A 9 PHE CA A 9 PHE C 1.0 -113.6 -58.2 PHI 14 14 A 9 PHE N A 9 PHE CA A 9 PHE C A 10 GLN N 1.0 89.4 207.7 PSI 15 15 A 9 PHE C A 10 GLN N A 10 GLN CA A 10 GLN C 1.0 -80.8 -40.8 PHI 16 16 A 10 GLN N A 10 GLN CA A 10 GLN C A 11 ASN N 1.0 -48.4 -8.4 PSI 17 17 A 10 GLN C A 11 ASN N A 11 ASN CA A 11 ASN C 1.0 -106.9 -66.9 PHI 18 18 A 11 ASN N A 11 ASN CA A 11 ASN C A 12 GLY N 1.0 -16.5 23.5 PSI 19 19 A 11 ASN C A 12 GLY N A 12 GLY CA A 12 GLY C 1.0 70.7 110.7 PHI 20 20 A 12 GLY N A 12 GLY CA A 12 GLY C A 13 GLU N 1.0 -26.2 13.8 PSI 21 21 A 12 GLY C A 13 GLU N A 13 GLU CA A 13 GLU C 1.0 -99.3 -55.8 PHI 22 22 A 13 GLU N A 13 GLU CA A 13 GLU C A 14 LYS N 1.0 73.0 204.9 PSI 23 23 A 13 GLU C A 14 LYS N A 14 LYS CA A 14 LYS C 1.0 -173.4 -98.5 PHI 24 24 A 14 LYS N A 14 LYS CA A 14 LYS C A 15 LEU N 1.0 127.6 176.4 PSI 25 25 A 14 LYS C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -156.9 -116.9 PHI 26 26 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 LYS N 1.0 123.9 169.3 PSI 27 27 A 15 LEU C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -164.5 -96.8 PHI 28 28 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 PHE N 1.0 94.7 174.7 PSI 29 29 A 16 LYS C A 17 PHE N A 17 PHE CA A 17 PHE C 1.0 -157.3 -101.7 PHI 30 30 A 17 PHE N A 17 PHE CA A 17 PHE C A 18 ASN N 1.0 120.6 177.0 PSI 31 31 A 17 PHE C A 18 ASN N A 18 ASN CA A 18 ASN C 1.0 -130.9 -56.0 PHI 32 32 A 18 ASN N A 18 ASN CA A 18 ASN C A 19 VAL N 1.0 103.6 160.5 PSI 33 33 A 18 ASN C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -156.6 -116.6 PHI 34 34 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 GLN N 1.0 146.9 186.9 PSI 35 35 A 19 VAL C A 20 GLN N A 20 GLN CA A 20 GLN C 1.0 -154.3 -57.4 PHI 36 36 A 20 GLN N A 20 GLN CA A 20 GLN C A 21 PRO N 1.0 92.7 213.6 PSI 37 37 A 21 PRO N A 21 PRO CA A 21 PRO C A 22 SER N 1.0 -41.6 -1.6 PSI 38 38 A 21 PRO C A 22 SER N A 22 SER CA A 22 SER C 1.0 -128.4 -55.6 PHI 39 39 A 22 SER N A 22 SER CA A 22 SER C A 23 HIS N 1.0 -54.3 35.2 PSI 40 40 A 22 SER C A 23 HIS N A 23 HIS CA A 23 HIS C 1.0 -120.3 -24.6 PHI 41 41 A 23 HIS N A 23 HIS CA A 23 HIS C A 24 LYS N 1.0 -76.5 21.6 PSI 42 42 A 24 LYS C A 25 ILE N A 25 ILE CA A 25 ILE C 1.0 -79.0 -39.0 PHI 43 43 A 25 ILE N A 25 ILE CA A 25 ILE C A 26 LEU N 1.0 -60.0 -11.7 PSI 44 44 A 25 ILE C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -82.9 -42.9 PHI 45 45 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 ASP N 1.0 -59.9 -19.9 PSI 46 46 A 26 LEU C A 27 ASP N A 27 ASP CA A 27 ASP C 1.0 -82.6 -42.6 PHI 47 47 A 27 ASP N A 27 ASP CA A 27 ASP C A 28 ILE N 1.0 -64.2 -24.2 PSI 48 48 A 27 ASP C A 28 ILE N A 28 ILE CA A 28 ILE C 1.0 -85.0 -45.0 PHI 49 49 A 28 ILE N A 28 ILE CA A 28 ILE C A 29 LYS N 1.0 -64.7 -24.7 PSI 50 50 A 28 ILE C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -83.5 -43.5 PHI 51 51 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 GLU N 1.0 -58.9 -18.9 PSI 52 52 A 29 LYS C A 30 GLU N A 30 GLU CA A 30 GLU C 1.0 -84.7 -44.7 PHI 53 53 A 30 GLU N A 30 GLU CA A 30 GLU C A 31 MET N 1.0 -62.2 -22.2 PSI 54 54 A 30 GLU C A 31 MET N A 31 MET CA A 31 MET C 1.0 -84.4 -44.4 PHI 55 55 A 31 MET N A 31 MET CA A 31 MET C A 32 ILE N 1.0 -63.5 -23.5 PSI 56 56 A 31 MET C A 32 ILE N A 32 ILE CA A 32 ILE C 1.0 -86.4 -46.4 PHI 57 57 A 32 ILE N A 32 ILE CA A 32 ILE C A 33 PHE N 1.0 -56.3 -15.0 PSI 58 58 A 32 ILE C A 33 PHE N A 33 PHE CA A 33 PHE C 1.0 -88.8 -48.8 PHI 59 59 A 33 PHE N A 33 PHE CA A 33 PHE C A 34 LYS N 1.0 -60.1 -20.1 PSI 60 60 A 33 PHE C A 34 LYS N A 34 LYS CA A 34 LYS C 1.0 -88.2 -48.2 PHI 61 61 A 34 LYS N A 34 LYS CA A 34 LYS C A 35 LYS N 1.0 -63.6 -6.7 PSI 62 62 A 34 LYS C A 35 LYS N A 35 LYS CA A 35 LYS C 1.0 -107.2 -67.2 PHI 63 63 A 35 LYS N A 35 LYS CA A 35 LYS C A 36 THR N 1.0 -58.5 -0.7 PSI 64 64 A 37 ASN C A 38 ILE N A 38 ILE CA A 38 ILE C 1.0 -117.4 -62.7 PHI 65 65 A 38 ILE N A 38 ILE CA A 38 ILE C A 39 ASN N 1.0 104.0 145.4 PSI 66 66 A 38 ILE C A 39 ASN N A 39 ASN CA A 39 ASN C 1.0 -132.5 -12.6 PHI 67 67 A 39 ASN N A 39 ASN CA A 39 ASN C A 40 VAL N 1.0 108.3 187.9 PSI 68 68 A 39 ASN C A 40 VAL N A 40 VAL CA A 40 VAL C 1.0 -79.6 -39.6 PHI 69 69 A 40 VAL N A 40 VAL CA A 40 VAL C A 41 LYS N 1.0 -56.0 -16.0 PSI 70 70 A 40 VAL C A 41 LYS N A 41 LYS CA A 41 LYS C 1.0 -92.3 -52.3 PHI 71 71 A 41 LYS N A 41 LYS CA A 41 LYS C A 42 ASP N 1.0 -46.2 15.2 PSI 72 72 A 41 LYS C A 42 ASP N A 42 ASP CA A 42 ASP C 1.0 -118.0 -78.0 PHI 73 73 A 42 ASP N A 42 ASP CA A 42 ASP C A 43 GLN N 1.0 -30.2 9.8 PSI 74 74 A 43 GLN C A 44 SER N A 44 SER CA A 44 SER C 1.0 -141.2 -66.7 PHI 75 75 A 44 SER N A 44 SER CA A 44 SER C A 45 LEU N 1.0 68.6 165.4 PSI 76 76 A 44 SER C A 45 LEU N A 45 LEU CA A 45 LEU C 1.0 -156.2 -79.5 PHI 77 77 A 45 LEU N A 45 LEU CA A 45 LEU C A 46 LYS N 1.0 107.3 157.8 PSI 78 78 A 45 LEU C A 46 LYS N A 46 LYS CA A 46 LYS C 1.0 -170.9 -96.6 PHI 79 79 A 46 LYS N A 46 LYS CA A 46 LYS C A 47 PHE N 1.0 110.9 176.4 PSI 80 80 A 46 LYS C A 47 PHE N A 47 PHE CA A 47 PHE C 1.0 -173.9 -97.3 PHI 81 81 A 47 PHE N A 47 PHE CA A 47 PHE C A 48 ALA N 1.0 105.0 147.0 PSI 82 82 A 48 ALA C A 49 GLY N A 49 GLY CA A 49 GLY C 1.0 57.8 97.8 PHI 83 83 A 49 GLY N A 49 GLY CA A 49 GLY C A 50 ASN N 1.0 -21.6 30.5 PSI 84 84 A 49 GLY C A 50 ASN N A 50 ASN CA A 50 ASN C 1.0 -147.0 -64.8 PHI 85 85 A 50 ASN N A 50 ASN CA A 50 ASN C A 51 GLU N 1.0 110.6 166.1 PSI 86 86 A 50 ASN C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -106.4 -56.2 PHI 87 87 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 MET N 1.0 100.3 166.8 PSI 88 88 A 51 GLU C A 52 MET N A 52 MET CA A 52 MET C 1.0 -151.9 -67.7 PHI 89 89 A 52 MET N A 52 MET CA A 52 MET C A 53 ILE N 1.0 120.9 160.9 PSI 90 90 A 52 MET C A 53 ILE N A 53 ILE CA A 53 ILE C 1.0 -136.3 -48.0 PHI 91 91 A 53 ILE N A 53 ILE CA A 53 ILE C A 54 ASN N 1.0 110.9 186.6 PSI 92 92 A 53 ILE C A 54 ASN N A 54 ASN CA A 54 ASN C 1.0 -78.8 -38.8 PHI 93 93 A 54 ASN N A 54 ASN CA A 54 ASN C A 55 GLN N 1.0 -51.7 -11.7 PSI 94 94 A 54 ASN C A 55 GLN N A 55 GLN CA A 55 GLN C 1.0 -113.6 -65.5 PHI 95 95 A 55 GLN N A 55 GLN CA A 55 GLN C A 56 LYS N 1.0 -27.1 12.9 PSI 96 96 A 55 GLN C A 56 LYS N A 56 LYS CA A 56 LYS C 1.0 -144.5 -30.5 PHI 97 97 A 56 LYS N A 56 LYS CA A 56 LYS C A 57 THR N 1.0 135.0 175.0 PSI 98 98 A 56 LYS C A 57 THR N A 57 THR CA A 57 THR C 1.0 -130.4 -58.8 PHI 99 99 A 57 THR N A 57 THR CA A 57 THR C A 58 LEU N 1.0 146.5 186.5 PSI 100 100 A 57 THR C A 58 LEU N A 58 LEU CA A 58 LEU C 1.0 -83.8 -43.8 PHI 101 101 A 58 LEU N A 58 LEU CA A 58 LEU C A 59 SER N 1.0 -56.6 -16.6 PSI 102 102 A 58 LEU C A 59 SER N A 59 SER CA A 59 SER C 1.0 -83.5 -43.5 PHI 103 103 A 59 SER N A 59 SER CA A 59 SER C A 60 ASP N 1.0 -55.4 -15.4 PSI 104 104 A 59 SER C A 60 ASP N A 60 ASP CA A 60 ASP C 1.0 -82.1 -42.1 PHI 105 105 A 60 ASP N A 60 ASP CA A 60 ASP C A 61 TYR N 1.0 -48.7 -8.7 PSI 106 106 A 60 ASP C A 61 TYR N A 61 TYR CA A 61 TYR C 1.0 -113.0 -73.0 PHI 107 107 A 61 TYR N A 61 TYR CA A 61 TYR C A 62 SER N 1.0 -12.6 27.4 PSI 108 108 A 61 TYR C A 62 SER N A 62 SER CA A 62 SER C 1.0 38.5 78.5 PHI 109 109 A 62 SER N A 62 SER CA A 62 SER C A 63 ILE N 1.0 16.2 56.2 PSI 110 110 A 68 GLU C A 69 GLU N A 69 GLU CA A 69 GLU C 1.0 -161.4 -51.2 PHI 111 111 A 69 GLU N A 69 GLU CA A 69 GLU C A 70 PHE N 1.0 89.0 184.0 PSI 112 112 A 69 GLU C A 70 PHE N A 70 PHE CA A 70 PHE C 1.0 -147.3 -54.7 PHI 113 113 A 70 PHE N A 70 PHE CA A 70 PHE C A 71 THR N 1.0 110.2 150.2 PSI 114 114 A 70 PHE C A 71 THR N A 71 THR CA A 71 THR C 1.0 -151.9 -80.6 PHI 115 115 A 71 THR N A 71 THR CA A 71 THR C A 72 LEU N 1.0 110.5 150.5 PSI 116 116 A 71 THR C A 72 LEU N A 72 LEU CA A 72 LEU C 1.0 -163.4 -58.4 PHI 117 117 A 72 LEU N A 72 LEU CA A 72 LEU C A 73 HIS N 1.0 106.4 174.3 PSI 118 118 A 72 LEU C A 73 HIS N A 73 HIS CA A 73 HIS C 1.0 -156.0 -57.5 PHI 119 119 A 73 HIS N A 73 HIS CA A 73 HIS C A 74 LEU N 1.0 95.8 165.9 PSI 120 120 A 73 HIS C A 74 LEU N A 74 LEU CA A 74 LEU C 1.0 -137.2 -68.5 PHI 121 121 A 74 LEU N A 74 LEU CA A 74 LEU C A 75 GLU N 1.0 100.3 150.5 PSI 122 122 A 74 LEU C A 75 GLU N A 75 GLU CA A 75 GLU C 1.0 -143.6 -92.6 PHI 123 123 A 75 GLU N A 75 GLU CA A 75 GLU C A 76 THR N 1.0 124.1 164.1 PSI 124 124 A 75 GLU C A 76 THR N A 76 THR CA A 76 THR C 1.0 -141.9 -79.8 PHI 125 125 A 76 THR N A 76 THR CA A 76 THR C A 77 LYS N 1.0 116.7 156.7 PSI stop_ save_