data_nef_c34490_6y1h 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 6Y1H 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 ASN start . . 2 A 2 LEU middle . . 3 A 3 THR middle . . 4 A 4 LYS middle . . 5 A 5 GLN middle . . 6 A 6 LYS middle . . 7 A 7 GLU middle . . 8 A 8 ALA middle . . 9 A 9 VAL middle . . 10 A 10 ASN middle . . 11 A 11 ASP middle . . 12 A 12 LYS middle . . 13 A 13 GLY middle . false 14 A 14 LYS middle . . 15 A 15 ALA middle . . 16 A 16 ALA middle . . 17 A 17 VAL middle . . 18 A 18 VAL middle . . 19 A 19 LYS middle . . 20 A 20 VAL middle . . 21 A 21 VAL middle . . 22 A 22 GLU middle . . 23 A 23 SER middle . . 24 A 24 GLN middle . . 25 A 25 ALA middle . . 26 A 26 GLU middle . . 27 A 27 LEU middle . . 28 A 28 TYR middle . . 29 A 29 SER middle . . 30 A 30 LEU middle . . 31 A 31 GLU middle . . 32 A 32 LYS middle . . 33 A 33 ASN middle . . 34 A 34 GLU middle . . 35 A 35 ASP middle . . 36 A 36 ALA middle . . 37 A 37 SER middle . . 38 A 38 LEU middle . . 39 A 39 ARG middle . . 40 A 40 LYS middle . . 41 A 41 LEU middle . . 42 A 42 GLN middle . . 43 A 43 ALA middle . . 44 A 44 ASP middle . . 45 A 45 GLY middle . false 46 A 46 ARG middle . . 47 A 47 ILE middle . . 48 A 48 THR middle . . 49 A 49 GLU middle . . 50 A 50 GLU middle . . 51 A 51 GLN middle . . 52 A 52 ALA middle . . 53 A 53 LYS middle . . 54 A 54 ALA middle . . 55 A 55 TYR middle . . 56 A 56 LYS middle . . 57 A 57 GLU middle . . 58 A 58 TYR middle . . 59 A 59 HIS middle . . 60 A 60 ASP middle . . 61 A 61 LYS middle . . 62 A 62 ASN middle . . 63 A 63 GLY middle . false 64 A 64 GLY middle . false 65 A 65 ALA middle . . 66 A 66 ASN middle . . 67 A 67 ARG middle . . 68 A 68 LYS middle . . 69 A 69 VAL middle . . 70 A 70 ASN middle . . 71 A 71 ASP 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 ASN H1 H 1 8.508 0.002 A 1 ASN HA H 1 4.583 0.003 A 1 ASN HBy H 1 2.740 0.001 A 1 ASN HBx H 1 2.648 0.004 A 1 ASN C C 13 175.219 0.001 A 1 ASN CA C 13 53.412 0.089 A 1 ASN CB C 13 38.651 0.032 A 1 ASN N N 15 119.940 0.020 A 2 LEU H H 1 8.265 0.004 A 2 LEU HA H 1 4.276 0.001 A 2 LEU HBy H 1 1.580 0.002 A 2 LEU HBx H 1 1.523 0.003 A 2 LEU HDx% H 1 0.817 0.016 A 2 LEU HDy% H 1 0.753 0.000 A 2 LEU HG H 1 1.521 0.000 A 2 LEU C C 13 177.690 0.003 A 2 LEU CA C 13 55.576 0.024 A 2 LEU CB C 13 42.222 0.047 A 2 LEU CDy C 13 24.905 0.061 A 2 LEU CDx C 13 23.353 0.048 A 2 LEU CG C 13 26.918 0.032 A 2 LEU N N 15 122.629 0.050 A 3 THR H H 1 8.018 0.003 A 3 THR HA H 1 4.184 0.003 A 3 THR HB H 1 4.127 0.000 A 3 THR HG2% H 1 1.114 0.001 A 3 THR C C 13 174.590 0.002 A 3 THR CA C 13 62.308 0.125 A 3 THR CB C 13 69.647 0.042 A 3 THR CG2 C 13 21.661 0.016 A 3 THR N N 15 114.714 0.068 A 4 LYS H H 1 8.163 0.005 A 4 LYS HA H 1 4.202 0.002 A 4 LYS HBy H 1 1.742 0.002 A 4 LYS HBx H 1 1.668 0.008 A 4 LYS HDy H 1 1.586 0.000 A 4 LYS HDx H 1 1.530 0.000 A 4 LYS HEy H 1 2.538 0.000 A 4 LYS HEx H 1 2.479 0.000 A 4 LYS HGy H 1 1.356 0.010 A 4 LYS HGx H 1 1.323 0.002 A 4 LYS C C 13 176.595 0.003 A 4 LYS CA C 13 56.481 0.080 A 4 LYS CB C 13 32.825 0.044 A 4 LYS CD C 13 28.948 0.079 A 4 LYS CE C 13 41.203 0.180 A 4 LYS CG C 13 24.735 0.050 A 4 LYS N N 15 123.459 0.067 A 5 GLN H H 1 8.277 0.003 A 5 GLN HA H 1 4.189 0.001 A 5 GLN HBy H 1 2.045 0.092 A 5 GLN HBx H 1 1.944 0.095 A 5 GLN HE2y H 1 7.457 0.001 A 5 GLN HE2x H 1 6.781 0.001 A 5 GLN HGy H 1 2.288 0.003 A 5 GLN HGx H 1 2.287 0.004 A 5 GLN C C 13 176.271 0.245 A 5 GLN CA C 13 56.075 0.050 A 5 GLN CB C 13 29.383 0.062 A 5 GLN CD C 13 180.329 0.008 A 5 GLN CG C 13 33.747 0.020 A 5 GLN N N 15 121.679 0.055 A 5 GLN NE2 N 15 111.921 0.020 A 6 LYS H H 1 8.283 0.005 A 6 LYS HA H 1 4.159 0.004 A 6 LYS HBy H 1 1.736 0.011 A 6 LYS HBx H 1 1.693 0.000 A 6 LYS HDx H 1 1.596 0.002 A 6 LYS HEx H 1 2.915 0.000 A 6 LYS HGx H 1 1.596 0.003 A 6 LYS C C 13 176.452 0.249 A 6 LYS CA C 13 56.722 0.077 A 6 LYS CB C 13 32.917 0.055 A 6 LYS CD C 13 29.052 0.070 A 6 LYS CE C 13 42.113 0.011 A 6 LYS CG C 13 24.904 0.133 A 6 LYS N N 15 122.659 0.076 A 7 GLU H H 1 8.321 0.002 A 7 GLU HA H 1 4.162 0.003 A 7 GLU HBy H 1 1.956 0.000 A 7 GLU HBx H 1 1.855 0.001 A 7 GLU HGy H 1 2.205 0.000 A 7 GLU HGx H 1 2.186 0.000 A 7 GLU C C 13 176.194 0.001 A 7 GLU CA C 13 56.590 0.044 A 7 GLU CB C 13 30.323 0.034 A 7 GLU CG C 13 36.278 0.054 A 7 GLU N N 15 121.986 0.062 A 8 ALA H H 1 8.274 0.002 A 8 ALA HA H 1 4.252 0.003 A 8 ALA HB% H 1 1.316 0.013 A 8 ALA C C 13 177.858 0.004 A 8 ALA CA C 13 52.514 0.030 A 8 ALA CB C 13 19.123 0.028 A 8 ALA N N 15 125.328 0.062 A 9 VAL H H 1 8.033 0.001 A 9 VAL HA H 1 3.968 0.002 A 9 VAL HB H 1 1.762 0.458 A 9 VAL HGx% H 1 0.846 0.002 A 9 VAL HGy% H 1 0.869 0.001 A 9 VAL C C 13 176.106 0.008 A 9 VAL CA C 13 62.646 0.029 A 9 VAL CB C 13 32.584 0.034 A 9 VAL CGy C 13 21.047 0.108 A 9 VAL CGx C 13 20.686 0.049 A 9 VAL N N 15 119.242 0.007 A 10 ASN H H 1 8.374 0.002 A 10 ASN HA H 1 4.649 0.003 A 10 ASN HBy H 1 2.775 0.003 A 10 ASN HBx H 1 2.717 0.000 A 10 ASN HD2y H 1 7.549 0.001 A 10 ASN HD2x H 1 6.857 0.001 A 10 ASN C C 13 175.047 0.003 A 10 ASN CA C 13 53.244 0.105 A 10 ASN CB C 13 38.781 0.112 A 10 ASN CG C 13 176.873 0.009 A 10 ASN N N 15 121.921 0.016 A 10 ASN ND2 N 15 112.260 0.026 A 11 ASP H H 1 8.217 0.001 A 11 ASP HA H 1 4.513 0.002 A 11 ASP HBy H 1 2.635 0.011 A 11 ASP HBx H 1 2.613 0.000 A 11 ASP C C 13 176.953 0.004 A 11 ASP CA C 13 54.818 0.060 A 11 ASP CB C 13 41.184 0.033 A 11 ASP N N 15 121.288 0.011 A 12 LYS H H 1 8.286 0.003 A 12 LYS HA H 1 4.109 0.001 A 12 LYS HBy H 1 1.813 0.000 A 12 LYS HBx H 1 1.763 0.000 A 12 LYS HDy H 1 2.417 0.000 A 12 LYS HDx H 1 2.349 0.000 A 12 LYS HEy H 1 2.811 0.102 A 12 LYS HEx H 1 2.607 0.000 A 12 LYS HGx H 1 2.000 0.000 A 12 LYS C C 13 178.109 0.013 A 12 LYS CA C 13 57.694 0.094 A 12 LYS CB C 13 32.390 0.055 A 12 LYS CD C 13 30.926 0.078 A 12 LYS CE C 13 42.202 0.107 A 12 LYS CG C 13 24.950 0.015 A 12 LYS N N 15 121.808 0.016 A 13 GLY H H 1 8.380 0.003 A 13 GLY HAy H 1 3.854 0.000 A 13 GLY HAx H 1 3.852 0.000 A 13 GLY C C 13 175.259 0.002 A 13 GLY CA C 13 45.995 0.037 A 13 GLY N N 15 108.855 0.054 A 14 LYS H H 1 7.956 0.003 A 14 LYS HA H 1 4.019 0.003 A 14 LYS HBy H 1 1.719 0.000 A 14 LYS HBx H 1 1.662 0.000 A 14 LYS HGx H 1 1.429 0.000 A 14 LYS HGy H 1 1.530 0.000 A 14 LYS C C 13 177.166 0.003 A 14 LYS CA C 13 57.835 0.069 A 14 LYS CB C 13 32.743 0.012 A 14 LYS CD C 13 28.933 0.000 A 14 LYS CG C 13 25.189 0.034 A 14 LYS N N 15 121.141 0.053 A 15 ALA H H 1 7.866 0.048 A 15 ALA HA H 1 3.792 0.003 A 15 ALA HB% H 1 1.263 0.000 A 15 ALA C C 13 179.273 0.009 A 15 ALA CA C 13 53.647 0.025 A 15 ALA CB C 13 18.345 0.037 A 15 ALA N N 15 121.951 0.047 A 16 ALA H H 1 8.031 0.004 A 16 ALA HA H 1 4.010 0.002 A 16 ALA HB% H 1 1.387 0.006 A 16 ALA C C 13 179.957 0.000 A 16 ALA CA C 13 55.125 0.093 A 16 ALA CB C 13 18.349 0.051 A 16 ALA N N 15 122.546 0.023 A 17 VAL H H 1 7.900 0.001 A 17 VAL HA H 1 3.722 0.002 A 17 VAL HB H 1 2.181 0.001 A 17 VAL HGx% H 1 1.065 0.000 A 17 VAL HGy% H 1 0.887 0.000 A 17 VAL C C 13 176.833 0.000 A 17 VAL CA C 13 65.485 0.042 A 17 VAL CB C 13 31.431 0.053 A 17 VAL CGy C 13 23.262 0.023 A 17 VAL CGx C 13 21.256 0.053 A 17 VAL N N 15 117.581 0.014 A 18 VAL H H 1 7.386 0.005 A 18 VAL HA H 1 3.665 0.004 A 18 VAL HB H 1 1.967 0.003 A 18 VAL HGx% H 1 0.514 0.310 A 18 VAL HGy% H 1 0.901 0.007 A 18 VAL C C 13 177.239 0.000 A 18 VAL CA C 13 67.087 0.045 A 18 VAL CB C 13 31.245 0.041 A 18 VAL CGy C 13 22.362 0.282 A 18 VAL CGx C 13 21.332 0.034 A 18 VAL N N 15 120.401 0.016 A 19 LYS H H 1 7.459 0.003 A 19 LYS HA H 1 4.093 0.002 A 19 LYS HBy H 1 1.990 0.000 A 19 LYS HBx H 1 1.895 0.000 A 19 LYS HEx H 1 2.918 0.015 A 19 LYS HGy H 1 1.526 0.026 A 19 LYS HGx H 1 1.389 0.000 A 19 LYS C C 13 180.133 0.005 A 19 LYS CA C 13 59.114 0.087 A 19 LYS CB C 13 32.342 0.232 A 19 LYS CD C 13 29.405 0.000 A 19 LYS CE C 13 41.953 0.094 A 19 LYS CG C 13 25.196 0.039 A 19 LYS N N 15 117.615 0.019 A 20 VAL H H 1 7.814 0.010 A 20 VAL HA H 1 3.700 0.001 A 20 VAL HB H 1 2.163 0.000 A 20 VAL HGx% H 1 0.978 0.000 A 20 VAL HGy% H 1 0.870 0.000 A 20 VAL CA C 13 66.573 0.048 A 20 VAL CB C 13 31.878 0.050 A 20 VAL CGy C 13 22.986 0.041 A 20 VAL CGx C 13 20.653 0.032 A 20 VAL N N 15 120.756 0.034 A 21 VAL H H 1 8.070 0.000 A 21 VAL HA H 1 3.143 0.002 A 21 VAL HB H 1 1.827 0.002 A 21 VAL HGx% H 1 0.762 0.004 A 21 VAL HGy% H 1 -0.118 0.001 A 21 VAL C C 13 177.825 0.000 A 21 VAL CA C 13 67.236 0.026 A 21 VAL CB C 13 31.530 0.037 A 21 VAL CGy C 13 22.944 0.032 A 21 VAL CGx C 13 20.418 0.039 A 21 VAL N N 15 118.720 0.000 A 22 GLU H H 1 8.455 0.011 A 22 GLU HA H 1 3.650 0.003 A 22 GLU HBy H 1 1.986 0.000 A 22 GLU HBx H 1 1.972 0.000 A 22 GLU HGy H 1 2.132 0.000 A 22 GLU HGx H 1 2.125 0.000 A 22 GLU C C 13 179.681 0.000 A 22 GLU CA C 13 60.295 0.036 A 22 GLU CB C 13 28.547 0.047 A 22 GLU CG C 13 38.672 0.013 A 22 GLU N N 15 116.893 0.075 A 23 SER H H 1 8.296 0.004 A 23 SER HA H 1 4.269 0.003 A 23 SER HBy H 1 3.995 0.000 A 23 SER HBx H 1 3.948 0.000 A 23 SER C C 13 177.536 0.000 A 23 SER CA C 13 62.143 0.096 A 23 SER CB C 13 63.168 0.402 A 23 SER N N 15 116.147 0.055 A 24 GLN H H 1 8.112 0.002 A 24 GLN HA H 1 4.135 0.001 A 24 GLN HBx H 1 1.905 0.002 A 24 GLN HBy H 1 1.906 0.000 A 24 GLN HE2y H 1 7.458 0.000 A 24 GLN HE2x H 1 6.837 0.056 A 24 GLN HGy H 1 2.643 0.000 A 24 GLN HGx H 1 2.296 0.002 A 24 GLN C C 13 178.926 0.002 A 24 GLN CA C 13 58.105 0.048 A 24 GLN CB C 13 27.757 0.027 A 24 GLN CG C 13 32.818 0.087 A 24 GLN N N 15 120.850 0.017 A 24 GLN NE2 N 15 112.236 0.455 A 25 ALA H H 1 8.494 0.002 A 25 ALA HA H 1 3.805 0.000 A 25 ALA HB% H 1 1.333 0.004 A 25 ALA C C 13 178.780 0.004 A 25 ALA CA C 13 55.664 0.033 A 25 ALA CB C 13 19.103 0.032 A 25 ALA N N 15 122.899 0.037 A 26 GLU H H 1 7.678 0.001 A 26 GLU HA H 1 4.015 0.001 A 26 GLU HBy H 1 2.130 0.009 A 26 GLU HBx H 1 2.055 0.006 A 26 GLU HGy H 1 2.388 0.000 A 26 GLU HGx H 1 2.159 0.001 A 26 GLU C C 13 179.226 0.004 A 26 GLU CA C 13 59.540 0.044 A 26 GLU CB C 13 29.665 0.041 A 26 GLU CG C 13 36.373 0.052 A 26 GLU N N 15 118.812 0.046 A 27 LEU H H 1 7.659 0.002 A 27 LEU HA H 1 4.022 0.000 A 27 LEU HBy H 1 1.661 0.000 A 27 LEU HBx H 1 1.565 0.000 A 27 LEU HDx% H 1 0.851 0.001 A 27 LEU HDy% H 1 0.851 0.000 A 27 LEU HG H 1 1.643 0.014 A 27 LEU C C 13 178.425 0.005 A 27 LEU CA C 13 58.020 0.082 A 27 LEU CB C 13 41.815 0.052 A 27 LEU CDx C 13 24.467 0.126 A 27 LEU CDy C 13 24.594 0.056 A 27 LEU CG C 13 26.997 0.116 A 27 LEU N N 15 119.359 0.057 A 28 TYR H H 1 8.494 0.005 A 28 TYR HA H 1 3.774 0.003 A 28 TYR HBy H 1 3.210 0.001 A 28 TYR HBx H 1 2.756 0.000 A 28 TYR HDx H 1 6.779 0.000 A 28 TYR HEx H 1 6.460 0.000 A 28 TYR HEy H 1 6.931 0.000 A 28 TYR C C 13 177.008 0.001 A 28 TYR CA C 13 62.085 0.012 A 28 TYR CB C 13 39.697 0.052 A 28 TYR CDx C 13 132.768 0.000 A 28 TYR CEx C 13 117.917 0.000 A 28 TYR CEy C 13 119.635 0.000 A 28 TYR N N 15 120.008 0.068 A 29 SER H H 1 8.298 0.003 A 29 SER HA H 1 4.569 0.006 A 29 SER HBy H 1 3.982 0.015 A 29 SER HBx H 1 3.949 0.002 A 29 SER C C 13 177.583 0.000 A 29 SER CA C 13 62.206 0.033 A 29 SER CB C 13 63.422 0.119 A 29 SER N N 15 114.585 0.095 A 30 LEU H H 1 7.699 0.084 A 30 LEU HA H 1 4.106 0.003 A 30 LEU HBy H 1 1.793 0.002 A 30 LEU HBx H 1 1.401 0.243 A 30 LEU HDx% H 1 0.814 0.000 A 30 LEU HDy% H 1 0.821 0.001 A 30 LEU HG H 1 1.690 0.001 A 30 LEU C C 13 178.741 0.007 A 30 LEU CA C 13 57.479 0.067 A 30 LEU CB C 13 42.389 0.079 A 30 LEU CDx C 13 23.808 0.047 A 30 LEU CDy C 13 25.144 0.057 A 30 LEU CG C 13 26.878 0.035 A 30 LEU N N 15 122.061 0.009 A 31 GLU H H 1 7.969 0.002 A 31 GLU HA H 1 3.960 0.002 A 31 GLU HBy H 1 1.931 0.000 A 31 GLU HBx H 1 1.830 0.000 A 31 GLU HGy H 1 2.330 0.050 A 31 GLU HGx H 1 1.968 0.003 A 31 GLU C C 13 178.645 0.000 A 31 GLU CA C 13 58.858 0.029 A 31 GLU CB C 13 30.769 0.033 A 31 GLU CG C 13 36.650 0.059 A 31 GLU N N 15 117.649 0.019 A 32 LYS H H 1 8.329 0.003 A 32 LYS HA H 1 4.116 0.003 A 32 LYS HBy H 1 1.464 0.001 A 32 LYS HBx H 1 1.020 0.002 A 32 LYS HDy H 1 1.199 0.000 A 32 LYS HDx H 1 1.124 0.001 A 32 LYS HEy H 1 2.712 0.003 A 32 LYS HEx H 1 2.640 0.047 A 32 LYS HGy H 1 0.777 0.003 A 32 LYS HGx H 1 0.535 0.001 A 32 LYS C C 13 176.583 0.009 A 32 LYS CA C 13 55.175 0.028 A 32 LYS CB C 13 32.599 0.372 A 32 LYS CD C 13 27.873 0.060 A 32 LYS CE C 13 42.184 0.016 A 32 LYS CG C 13 24.366 0.063 A 32 LYS N N 15 114.176 0.059 A 33 ASN H H 1 7.961 0.002 A 33 ASN HA H 1 4.372 0.002 A 33 ASN HBy H 1 3.007 0.003 A 33 ASN HBx H 1 2.599 0.004 A 33 ASN HD2y H 1 7.411 0.000 A 33 ASN HD2x H 1 6.668 0.000 A 33 ASN C C 13 173.485 0.007 A 33 ASN CA C 13 54.148 0.044 A 33 ASN CB C 13 37.177 0.051 A 33 ASN CG C 13 178.425 0.010 A 33 ASN N N 15 116.510 0.014 A 33 ASN ND2 N 15 111.665 0.025 A 34 GLU H H 1 6.967 0.002 A 34 GLU HA H 1 4.531 0.012 A 34 GLU HBy H 1 1.982 0.001 A 34 GLU HBx H 1 1.784 0.003 A 34 GLU HGy H 1 2.107 0.026 A 34 GLU HGx H 1 2.016 0.040 A 34 GLU C C 13 174.530 0.001 A 34 GLU CA C 13 54.191 0.077 A 34 GLU CB C 13 33.200 0.083 A 34 GLU CG C 13 35.318 0.048 A 34 GLU N N 15 112.337 0.048 A 35 ASP H H 1 8.465 0.003 A 35 ASP HA H 1 4.462 0.002 A 35 ASP HBy H 1 2.574 0.000 A 35 ASP HBx H 1 2.460 0.002 A 35 ASP C C 13 176.163 0.002 A 35 ASP CA C 13 54.763 0.183 A 35 ASP CB C 13 40.818 0.013 A 35 ASP N N 15 119.819 0.049 A 36 ALA H H 1 8.691 0.001 A 36 ALA HA H 1 3.926 0.001 A 36 ALA HB% H 1 1.220 0.003 A 36 ALA C C 13 175.677 0.000 A 36 ALA CA C 13 51.460 0.044 A 36 ALA CB C 13 20.665 0.042 A 36 ALA N N 15 122.796 0.043 A 37 SER H H 1 6.440 0.001 A 37 SER HA H 1 4.394 0.342 A 37 SER HBy H 1 4.129 0.004 A 37 SER HBx H 1 3.636 0.002 A 37 SER C C 13 174.406 0.000 A 37 SER CA C 13 55.704 0.018 A 37 SER CB C 13 66.443 0.034 A 37 SER N N 15 111.657 0.045 A 38 LEU H H 1 9.495 0.002 A 38 LEU HA H 1 3.698 0.003 A 38 LEU HBy H 1 2.125 0.004 A 38 LEU HBx H 1 1.266 0.004 A 38 LEU HDx% H 1 1.022 0.000 A 38 LEU HDy% H 1 0.398 0.002 A 38 LEU HG H 1 1.022 0.000 A 38 LEU C C 13 179.400 0.001 A 38 LEU CA C 13 58.693 0.036 A 38 LEU CB C 13 40.969 0.031 A 38 LEU CDy C 13 24.768 1.712 A 38 LEU CDx C 13 23.091 0.032 A 38 LEU CG C 13 26.454 0.118 A 38 LEU N N 15 123.345 0.041 A 39 ARG H H 1 8.190 0.005 A 39 ARG HA H 1 3.863 0.009 A 39 ARG HBy H 1 1.789 0.003 A 39 ARG HBx H 1 1.663 0.004 A 39 ARG HDy H 1 3.121 0.000 A 39 ARG HDx H 1 3.068 0.002 A 39 ARG HE H 1 7.373 0.000 A 39 ARG HGy H 1 1.643 0.003 A 39 ARG HGx H 1 1.573 0.002 A 39 ARG C C 13 179.483 0.017 A 39 ARG CA C 13 59.785 0.059 A 39 ARG CB C 13 30.190 0.024 A 39 ARG CD C 13 43.234 0.052 A 39 ARG CG C 13 27.056 0.039 A 39 ARG CZ C 13 171.633 0.000 A 39 ARG N N 15 118.781 0.164 A 39 ARG NE N 15 84.642 0.002 A 40 LYS H H 1 7.671 0.119 A 40 LYS HA H 1 3.871 0.000 A 40 LYS HBy H 1 1.601 0.000 A 40 LYS HBx H 1 1.195 0.004 A 40 LYS HDy H 1 1.693 0.000 A 40 LYS HDx H 1 1.652 0.063 A 40 LYS HEy H 1 2.915 0.000 A 40 LYS HEx H 1 2.887 0.000 A 40 LYS HGy H 1 1.314 0.003 A 40 LYS HGx H 1 1.271 0.006 A 40 LYS C C 13 179.220 0.005 A 40 LYS CA C 13 59.563 0.069 A 40 LYS CB C 13 32.720 0.052 A 40 LYS CD C 13 29.299 0.041 A 40 LYS CE C 13 42.157 0.025 A 40 LYS CG C 13 26.432 0.056 A 40 LYS N N 15 119.803 0.048 A 41 LEU H H 1 8.016 0.032 A 41 LEU HA H 1 3.672 0.002 A 41 LEU HBy H 1 1.764 0.006 A 41 LEU HBx H 1 1.057 0.002 A 41 LEU HDx% H 1 0.474 0.000 A 41 LEU HDy% H 1 0.487 0.000 A 41 LEU HG H 1 1.312 0.000 A 41 LEU C C 13 179.140 0.014 A 41 LEU CA C 13 57.691 0.034 A 41 LEU CB C 13 42.571 0.041 A 41 LEU CDx C 13 23.607 0.026 A 41 LEU CDy C 13 25.895 0.056 A 41 LEU CG C 13 26.419 0.101 A 41 LEU N N 15 116.957 0.046 A 42 GLN H H 1 8.110 0.025 A 42 GLN HA H 1 4.221 0.001 A 42 GLN HBy H 1 2.035 0.002 A 42 GLN HBx H 1 1.860 0.003 A 42 GLN HE2y H 1 6.982 0.001 A 42 GLN HE2x H 1 6.831 0.000 A 42 GLN HGy H 1 2.145 0.000 A 42 GLN HGx H 1 1.981 0.000 A 42 GLN C C 13 179.885 0.001 A 42 GLN CA C 13 58.808 0.039 A 42 GLN CB C 13 29.772 0.059 A 42 GLN CD C 13 178.758 0.012 A 42 GLN CG C 13 35.054 0.037 A 42 GLN N N 15 119.421 0.034 A 42 GLN NE2 N 15 108.668 0.014 A 43 ALA H H 1 8.146 0.004 A 43 ALA HA H 1 4.072 0.003 A 43 ALA HB% H 1 1.438 0.002 A 43 ALA C C 13 178.883 0.005 A 43 ALA CA C 13 55.051 0.029 A 43 ALA CB C 13 17.965 0.033 A 43 ALA N N 15 123.676 0.051 A 44 ASP H H 1 7.496 0.002 A 44 ASP HA H 1 4.849 0.002 A 44 ASP HBy H 1 2.718 0.006 A 44 ASP HBx H 1 2.661 0.001 A 44 ASP C C 13 176.529 0.006 A 44 ASP CA C 13 53.970 0.041 A 44 ASP CB C 13 42.731 0.030 A 44 ASP N N 15 114.618 0.056 A 45 GLY H H 1 7.813 0.002 A 45 GLY HAy H 1 3.986 0.001 A 45 GLY HAx H 1 3.842 0.000 A 45 GLY C C 13 175.033 0.011 A 45 GLY CA C 13 45.921 0.029 A 45 GLY N N 15 106.855 0.049 A 46 ARG H H 1 8.144 0.004 A 46 ARG HA H 1 4.069 0.006 A 46 ARG HBy H 1 2.017 0.000 A 46 ARG HBx H 1 1.564 0.007 A 46 ARG HDy H 1 3.535 0.001 A 46 ARG HDx H 1 3.050 0.000 A 46 ARG HE H 1 8.570 0.008 A 46 ARG HGy H 1 1.743 0.000 A 46 ARG HGx H 1 1.648 0.000 A 46 ARG C C 13 176.607 0.003 A 46 ARG CA C 13 57.613 0.029 A 46 ARG CB C 13 31.346 0.042 A 46 ARG CD C 13 43.569 0.049 A 46 ARG CG C 13 29.113 0.113 A 46 ARG CZ C 13 160.067 0.000 A 46 ARG N N 15 117.222 0.063 A 46 ARG NE N 15 85.414 0.007 A 47 ILE H H 1 6.882 0.002 A 47 ILE HA H 1 4.023 0.000 A 47 ILE HB H 1 2.027 0.012 A 47 ILE HD1% H 1 0.618 0.001 A 47 ILE HG1x H 1 0.471 0.001 A 47 ILE HG1y H 1 1.065 0.000 A 47 ILE HG2% H 1 0.639 0.001 A 47 ILE C C 13 174.567 0.000 A 47 ILE CA C 13 58.099 0.073 A 47 ILE CB C 13 41.228 0.061 A 47 ILE CD1 C 13 15.074 0.027 A 47 ILE CG1 C 13 23.776 0.046 A 47 ILE CG2 C 13 17.159 0.028 A 47 ILE N N 15 106.112 0.060 A 48 THR HA H 1 4.470 0.003 A 48 THR HB H 1 4.715 0.000 A 48 THR HG2% H 1 1.134 0.000 A 48 THR C C 13 175.446 0.001 A 48 THR CA C 13 59.734 0.066 A 48 THR CB C 13 71.521 0.056 A 48 THR CG2 C 13 21.700 0.014 A 49 GLU H H 1 8.982 0.001 A 49 GLU HA H 1 3.924 0.000 A 49 GLU HBy H 1 2.028 0.000 A 49 GLU HBx H 1 1.928 0.000 A 49 GLU HGx H 1 2.170 0.000 A 49 GLU HGy H 1 2.388 0.000 A 49 GLU C C 13 178.657 0.003 A 49 GLU CA C 13 59.642 0.033 A 49 GLU CB C 13 29.525 0.091 A 49 GLU CG C 13 36.266 0.093 A 49 GLU N N 15 121.901 0.040 A 50 GLU H H 1 8.480 0.005 A 50 GLU HA H 1 3.908 0.000 A 50 GLU HBy H 1 1.982 0.002 A 50 GLU HBx H 1 1.874 0.000 A 50 GLU HGy H 1 2.264 0.000 A 50 GLU HGx H 1 2.261 0.000 A 50 GLU C C 13 179.926 0.004 A 50 GLU CA C 13 59.940 0.049 A 50 GLU CB C 13 29.172 0.032 A 50 GLU CG C 13 36.671 0.018 A 50 GLU N N 15 118.069 0.054 A 51 GLN H H 1 7.758 0.002 A 51 GLN HA H 1 3.901 0.004 A 51 GLN HBy H 1 2.338 0.001 A 51 GLN HBx H 1 1.426 0.001 A 51 GLN HE2y H 1 7.459 0.000 A 51 GLN HE2x H 1 6.780 0.000 A 51 GLN HGy H 1 2.459 0.000 A 51 GLN HGx H 1 2.260 0.007 A 51 GLN C C 13 177.821 0.002 A 51 GLN CA C 13 58.784 0.035 A 51 GLN CB C 13 28.178 0.070 A 51 GLN CG C 13 34.669 0.048 A 51 GLN N N 15 120.063 0.036 A 51 GLN NE2 N 15 111.918 0.011 A 52 ALA H H 1 8.138 0.003 A 52 ALA HA H 1 3.797 0.002 A 52 ALA HB% H 1 1.376 0.003 A 52 ALA C C 13 179.305 0.001 A 52 ALA CA C 13 55.722 0.045 A 52 ALA CB C 13 18.394 0.041 A 52 ALA N N 15 121.527 0.061 A 53 LYS H H 1 8.263 0.003 A 53 LYS HA H 1 3.885 0.000 A 53 LYS HBx H 1 1.820 0.000 A 53 LYS HBy H 1 1.821 0.000 A 53 LYS HEx H 1 2.910 0.000 A 53 LYS HGy H 1 1.412 0.000 A 53 LYS HGx H 1 1.323 0.000 A 53 LYS C C 13 179.001 0.004 A 53 LYS CA C 13 59.881 0.059 A 53 LYS CB C 13 32.628 0.050 A 53 LYS CD C 13 29.384 0.000 A 53 LYS CE C 13 42.102 0.012 A 53 LYS CG C 13 25.304 0.085 A 53 LYS N N 15 117.548 0.049 A 54 ALA H H 1 8.055 0.002 A 54 ALA HA H 1 4.157 0.003 A 54 ALA HB% H 1 1.501 0.002 A 54 ALA C C 13 180.118 0.003 A 54 ALA CA C 13 54.865 0.025 A 54 ALA CB C 13 18.510 0.028 A 54 ALA N N 15 121.459 0.042 A 55 TYR H H 1 8.491 0.002 A 55 TYR HA H 1 3.832 0.002 A 55 TYR HBy H 1 3.245 0.136 A 55 TYR HBx H 1 3.010 0.001 A 55 TYR HDx H 1 7.019 0.000 A 55 TYR HDy H 1 7.881 0.000 A 55 TYR HEx H 1 6.877 0.000 A 55 TYR C C 13 177.491 0.000 A 55 TYR CA C 13 62.699 0.018 A 55 TYR CB C 13 39.421 0.027 A 55 TYR CDx C 13 133.506 0.000 A 55 TYR CDy C 13 138.022 0.000 A 55 TYR CEx C 13 119.577 0.000 A 55 TYR N N 15 120.550 0.067 A 56 LYS H H 1 8.134 0.006 A 56 LYS HA H 1 3.861 0.002 A 56 LYS HBy H 1 1.961 0.011 A 56 LYS HBx H 1 1.862 0.003 A 56 LYS HDx H 1 1.732 0.003 A 56 LYS HEy H 1 2.549 0.000 A 56 LYS HEx H 1 2.473 0.000 A 56 LYS HGx H 1 1.684 0.002 A 56 LYS C C 13 178.519 0.000 A 56 LYS CA C 13 60.379 0.392 A 56 LYS CB C 13 32.461 0.087 A 56 LYS CD C 13 29.248 0.025 A 56 LYS CE C 13 41.782 0.228 A 56 LYS CG C 13 25.267 0.055 A 56 LYS N N 15 120.077 0.027 A 57 GLU H H 1 8.394 0.002 A 57 GLU HA H 1 3.963 0.002 A 57 GLU HBy H 1 2.062 0.000 A 57 GLU HBx H 1 1.938 0.000 A 57 GLU HGy H 1 2.244 0.000 A 57 GLU HGx H 1 2.204 0.053 A 57 GLU C C 13 178.571 0.007 A 57 GLU CA C 13 59.502 0.054 A 57 GLU CB C 13 29.642 0.074 A 57 GLU CG C 13 36.392 0.199 A 57 GLU N N 15 118.668 0.048 A 58 TYR H H 1 8.065 0.005 A 58 TYR HA H 1 3.874 0.002 A 58 TYR HBy H 1 2.842 0.003 A 58 TYR HBx H 1 2.603 0.002 A 58 TYR C C 13 177.821 0.006 A 58 TYR CA C 13 61.336 0.029 A 58 TYR CB C 13 38.079 0.048 A 58 TYR N N 15 118.646 0.038 A 59 HIS H H 1 7.319 0.004 A 59 HIS HA H 1 4.087 0.002 A 59 HIS HBy H 1 2.608 0.000 A 59 HIS HBx H 1 2.563 0.000 A 59 HIS C C 13 177.021 0.010 A 59 HIS CA C 13 60.294 0.076 A 59 HIS CB C 13 29.772 0.034 A 59 HIS N N 15 116.398 0.066 A 60 ASP H H 1 8.525 0.009 A 60 ASP HA H 1 4.316 0.002 A 60 ASP HBy H 1 2.712 0.002 A 60 ASP HBx H 1 2.574 0.004 A 60 ASP C C 13 178.609 0.016 A 60 ASP CA C 13 56.889 0.021 A 60 ASP CB C 13 40.313 0.056 A 60 ASP N N 15 121.631 0.045 A 61 LYS H H 1 7.587 0.004 A 61 LYS HA H 1 4.073 0.003 A 61 LYS HBx H 1 1.669 0.004 A 61 LYS HBy H 1 1.674 0.000 A 61 LYS HDx H 1 1.602 0.000 A 61 LYS HDy H 1 1.606 0.000 A 61 LYS HEy H 1 2.914 0.000 A 61 LYS HEx H 1 2.888 0.022 A 61 LYS HGx H 1 1.361 0.000 A 61 LYS HGy H 1 1.362 0.000 A 61 LYS C C 13 177.007 0.005 A 61 LYS CA C 13 57.653 0.067 A 61 LYS CB C 13 32.747 0.069 A 61 LYS CD C 13 28.969 0.095 A 61 LYS CE C 13 42.148 0.041 A 61 LYS CG C 13 24.912 0.146 A 61 LYS N N 15 117.387 0.044 A 62 ASN H H 1 7.432 0.002 A 62 ASN HA H 1 4.668 0.003 A 62 ASN HBy H 1 2.448 0.001 A 62 ASN HBx H 1 2.342 0.002 A 62 ASN HD2y H 1 6.691 0.001 A 62 ASN HD2x H 1 6.541 0.001 A 62 ASN C C 13 175.651 0.002 A 62 ASN CA C 13 52.803 0.078 A 62 ASN CB C 13 38.849 0.035 A 62 ASN CG C 13 177.061 0.009 A 62 ASN N N 15 116.241 0.058 A 62 ASN ND2 N 15 113.043 0.031 A 63 GLY H H 1 7.907 0.002 A 63 GLY HAy H 1 4.026 0.001 A 63 GLY HAx H 1 3.827 0.001 A 63 GLY C C 13 175.119 0.004 A 63 GLY CA C 13 46.099 0.038 A 63 GLY N N 15 108.845 0.046 A 64 GLY H H 1 8.404 0.001 A 64 GLY HAy H 1 3.852 0.000 A 64 GLY HAx H 1 3.849 0.000 A 64 GLY C C 13 174.807 0.002 A 64 GLY CA C 13 45.969 0.113 A 64 GLY N N 15 108.484 0.055 A 65 ALA H H 1 7.853 0.001 A 65 ALA HA H 1 4.192 0.003 A 65 ALA HB% H 1 1.332 0.016 A 65 ALA C C 13 177.606 0.003 A 65 ALA CA C 13 53.126 0.031 A 65 ALA CB C 13 19.112 0.032 A 65 ALA N N 15 123.589 0.051 A 66 ASN H H 1 8.697 0.003 A 66 ASN HA H 1 4.627 0.001 A 66 ASN HBy H 1 2.829 0.002 A 66 ASN HBx H 1 2.688 0.001 A 66 ASN HD2y H 1 7.565 0.000 A 66 ASN HD2x H 1 6.873 0.001 A 66 ASN C C 13 174.415 0.002 A 66 ASN CA C 13 52.844 0.062 A 66 ASN CB C 13 38.645 0.034 A 66 ASN CG C 13 177.223 0.008 A 66 ASN N N 15 116.436 0.070 A 66 ASN ND2 N 15 112.494 0.016 A 67 ARG H H 1 7.811 0.008 A 67 ARG HA H 1 4.166 0.000 A 67 ARG HBy H 1 1.740 0.218 A 67 ARG HBx H 1 1.117 0.002 A 67 ARG HDy H 1 3.032 0.005 A 67 ARG HDx H 1 2.919 0.004 A 67 ARG HE H 1 7.176 0.001 A 67 ARG HGy H 1 1.113 0.001 A 67 ARG HGx H 1 1.019 0.002 A 67 ARG C C 13 176.138 0.000 A 67 ARG CA C 13 56.532 0.109 A 67 ARG CB C 13 30.546 0.128 A 67 ARG CD C 13 43.869 0.047 A 67 ARG CG C 13 27.079 0.047 A 67 ARG CZ C 13 160.154 0.000 A 67 ARG N N 15 122.770 0.020 A 67 ARG NE N 15 84.597 0.006 A 68 LYS HA H 1 4.200 0.001 A 68 LYS HBy H 1 1.767 0.002 A 68 LYS HBx H 1 1.598 0.004 A 68 LYS HDy H 1 1.531 0.000 A 68 LYS HDx H 1 1.528 0.002 A 68 LYS HEx H 1 2.903 0.000 A 68 LYS HEy H 1 2.921 0.000 A 68 LYS HGy H 1 1.419 0.000 A 68 LYS HGx H 1 1.299 0.005 A 68 LYS C C 13 176.112 0.006 A 68 LYS CA C 13 57.551 0.052 A 68 LYS CB C 13 34.013 0.083 A 68 LYS CD C 13 28.863 0.044 A 68 LYS CE C 13 42.099 0.026 A 68 LYS CG C 13 25.124 0.045 A 69 VAL H H 1 7.521 0.002 A 69 VAL HA H 1 4.116 0.002 A 69 VAL HB H 1 1.622 0.004 A 69 VAL HGx% H 1 0.533 0.002 A 69 VAL HGy% H 1 0.516 0.001 A 69 VAL C C 13 175.065 0.005 A 69 VAL CA C 13 61.333 0.028 A 69 VAL CB C 13 32.316 0.047 A 69 VAL CGy C 13 21.520 0.054 A 69 VAL CGx C 13 21.036 0.065 A 69 VAL N N 15 118.372 0.050 A 70 ASN H H 1 8.824 0.001 A 70 ASN HA H 1 4.533 0.004 A 70 ASN HBy H 1 2.890 0.003 A 70 ASN HBx H 1 2.652 0.003 A 70 ASN HD2y H 1 7.501 0.000 A 70 ASN HD2x H 1 6.896 0.003 A 70 ASN C C 13 174.165 0.003 A 70 ASN CA C 13 53.039 0.039 A 70 ASN CB C 13 39.530 0.042 A 70 ASN CG C 13 176.544 0.014 A 70 ASN N N 15 126.983 0.045 A 70 ASN ND2 N 15 112.354 0.022 A 71 ASP H H 1 8.440 0.001 A 71 ASP HA H 1 4.056 0.001 A 71 ASP HBy H 1 2.584 0.000 A 71 ASP HBx H 1 2.436 0.000 A 71 ASP C C 13 181.303 0.000 A 71 ASP CA C 13 58.596 0.052 A 71 ASP CB C 13 41.365 0.012 A 71 ASP N N 15 125.324 0.044 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 LEU H A 3 THR HG2% 1.0 1.8 4.75 2 2 A 2 LEU HA A 3 THR H 1.0 1.8 4.72 3 3 A 3 THR HG2% A 2 LEU HA 1.0 1.8 4.74 4 4 A 3 THR H A 2 LEU HBy 1.0 1.8 5.77 5 5 A 2 LEU HDy% A 2 LEU HG 1.0 1.8 5.69 6 6 A 3 THR H A 2 LEU HDy% 1.0 1.8 6.01 7 7 A 3 THR HA A 4 LYS H 1.0 1.8 4.67 8 8 A 3 THR HG2% A 3 THR HB 1.0 1.8 5.60 9 9 A 3 THR HG2% A 2 LEU HBy 1.0 1.8 5.51 10 10 A 3 THR HG2% A 3 THR H 1.0 1.8 5.98 11 11 A 3 THR HG2% A 3 THR HB 1.0 1.8 5.93 12 12 A 4 LYS H A 4 LYS HA 1.0 1.8 6.00 13 13 A 4 LYS HA A 5 GLN HE2y 1.0 1.8 6.01 14 14 A 3 THR HB A 4 LYS HBy 1.0 1.8 5.97 15 15 A 4 LYS HA A 4 LYS HDx 1.0 1.8 6.01 16 16 A 4 LYS HDx A 4 LYS HEy 1.0 1.8 4.05 17 17 A 4 LYS H A 4 LYS HGy 1.0 1.8 4.62 18 18 A 4 LYS HA A 4 LYS HGy 1.0 1.8 5.75 19 19 A 4 LYS HA A 5 GLN H 1.0 1.8 5.71 20 20 A 5 GLN HA A 6 LYS H 1.0 1.8 4.45 21 21 A 5 GLN HA A 5 GLN HBy 1.0 1.8 5.56 22 22 A 5 GLN HA A 5 GLN HBx 1.0 1.8 5.25 23 23 A 5 GLN HE2y A 5 GLN HE2x 1.0 1.8 3.96 24 24 A 5 GLN HE2y A 5 GLN HE2x 1.0 1.8 3.96 25 25 A 5 GLN HE2y A 5 GLN HGy 1.0 1.8 6.00 26 26 A 5 GLN HE2x A 5 GLN HGy 1.0 1.8 6.01 27 27 A 6 LYS H A 5 GLN HGy 1.0 1.8 5.86 28 28 A 4 LYS HA A 5 GLN HGx 1.0 1.8 5.87 29 29 A 6 LYS HDy A 6 LYS HEx 1.0 1.8 4.12 30 30 A 6 LYS H A 6 LYS HGx 1.0 1.8 4.57 31 31 A 6 LYS HGx A 6 LYS HA 1.0 1.8 5.98 32 32 A 7 GLU H A 7 GLU HA 1.0 1.8 5.21 33 33 A 7 GLU H A 7 GLU HA 1.0 1.8 4.48 34 34 A 7 GLU HA A 7 GLU HBx 1.0 1.8 5.49 35 35 A 7 GLU HA A 7 GLU HGx 1.0 1.8 4.53 36 36 A 7 GLU HA A 8 ALA H 1.0 1.8 4.57 37 37 A 7 GLU HA A 8 ALA HB% 1.0 1.8 4.73 38 38 A 7 GLU HA A 7 GLU HBy 1.0 1.8 5.63 39 39 A 8 ALA H A 7 GLU HBy 1.0 1.8 5.46 40 40 A 7 GLU H A 7 GLU HBx 1.0 1.8 4.59 41 41 A 7 GLU H A 7 GLU HGx 1.0 1.8 5.35 42 42 A 8 ALA HB% A 8 ALA HA 1.0 1.8 5.06 43 43 A 7 GLU H A 8 ALA HB% 1.0 1.8 5.59 44 44 A 8 ALA H A 8 ALA HB% 1.0 1.8 4.72 45 45 A 8 ALA HB% A 8 ALA HA 1.0 1.8 5.15 46 46 A 8 ALA HB% A 9 VAL H 1.0 1.8 5.17 47 47 A 8 ALA HB% A 9 VAL HA 1.0 1.8 6.01 48 48 A 8 ALA HA A 9 VAL H 1.0 1.8 5.96 49 49 A 9 VAL H A 9 VAL HB 1.0 1.8 4.75 50 50 A 9 VAL H A 9 VAL HA 1.0 1.8 4.64 51 51 A 9 VAL HA A 10 ASN H 1.0 1.8 5.13 52 52 A 9 VAL HA A 9 VAL HB 1.0 1.8 6.01 53 53 A 9 VAL HB A 10 ASN HD2x 1.0 1.8 6.00 54 54 A 10 ASN H A 9 VAL HGx% 1.0 1.8 5.96 55 55 A 9 VAL H A 9 VAL HGy% 1.0 1.8 4.72 56 56 A 9 VAL HA A 9 VAL HGy% 1.0 1.8 6.01 57 57 A 10 ASN H A 10 ASN HA 1.0 1.8 5.68 58 58 A 10 ASN HA A 10 ASN HBy 1.0 1.8 4.57 59 59 A 10 ASN HA A 10 ASN HBx 1.0 1.8 4.57 60 60 A 10 ASN HA A 11 ASP H 1.0 1.8 3.11 61 61 A 10 ASN HD2x A 10 ASN HBy 1.0 1.8 5.84 62 62 A 10 ASN H A 10 ASN HBx 1.0 1.8 5.47 63 63 A 10 ASN HD2x A 10 ASN HD2y 1.0 1.8 4.26 64 64 A 10 ASN HD2x A 10 ASN HD2y 1.0 1.8 3.01 65 65 A 11 ASP HBy A 12 LYS HA 1.0 1.8 5.99 66 66 A 11 ASP H A 11 ASP HBx 1.0 1.8 4.76 67 67 A 11 ASP HBx A 11 ASP HA 1.0 1.8 4.46 68 68 A 11 ASP HA A 12 LYS H 1.0 1.8 5.62 69 69 A 12 LYS HA A 12 LYS HBx 1.0 1.8 4.38 70 70 A 12 LYS HA A 13 GLY H 1.0 1.8 5.10 71 71 A 12 LYS HBy A 16 ALA HA 1.0 1.8 5.78 72 72 A 11 ASP HA A 12 LYS HBx 1.0 1.8 5.40 73 73 A 12 LYS HA A 12 LYS HBx 1.0 1.8 4.67 74 74 A 12 LYS HBx A 13 GLY H 1.0 1.8 5.44 75 75 A 13 GLY H A 14 LYS H 1.0 1.8 6.01 76 76 A 13 GLY H A 13 GLY HAy 1.0 1.8 4.95 77 77 A 14 LYS H A 13 GLY HAy 1.0 1.8 4.75 78 78 A 13 GLY HAx A 15 ALA HB% 1.0 1.8 4.76 79 79 A 14 LYS H A 14 LYS HA 1.0 1.8 5.70 80 80 A 15 ALA HB% A 14 LYS HA 1.0 1.8 5.54 81 81 A 14 LYS HA A 17 VAL H 1.0 1.8 4.94 82 82 A 14 LYS H A 14 LYS HBx 1.0 1.8 4.72 83 83 A 14 LYS HBx A 15 ALA H 1.0 1.8 5.31 84 84 A 13 GLY H A 14 LYS HGx 1.0 1.8 5.98 85 85 A 14 LYS H A 14 LYS HGx 1.0 1.8 4.76 86 86 A 15 ALA HB% A 15 ALA H 1.0 1.8 5.86 87 87 A 15 ALA HA A 19 LYS HBy 1.0 1.8 5.73 88 88 A 15 ALA HB% A 15 ALA HA 1.0 1.8 5.35 89 89 A 15 ALA HB% A 16 ALA H 1.0 1.8 6.00 90 90 A 16 ALA H A 20 VAL HGx% 1.0 1.8 6.01 91 91 A 16 ALA HA A 16 ALA H 1.0 1.8 4.64 92 92 A 16 ALA HA A 17 VAL H 1.0 1.8 5.40 93 93 A 16 ALA HA A 20 VAL HGx% 1.0 1.8 6.01 94 94 A 13 GLY HAx A 16 ALA HB% 1.0 1.8 5.65 95 95 A 17 VAL H A 16 ALA HB% 1.0 1.8 5.25 96 96 A 16 ALA HA A 17 VAL H 1.0 1.8 5.99 97 97 A 17 VAL H A 16 ALA HB% 1.0 1.8 6.01 98 98 A 17 VAL H A 17 VAL HB 1.0 1.8 5.06 99 99 A 17 VAL H A 17 VAL HGx% 1.0 1.8 6.01 100 100 A 17 VAL H A 18 VAL H 1.0 1.8 5.98 101 101 A 17 VAL H A 17 VAL HA 1.0 1.8 5.37 102 102 A 17 VAL HB A 17 VAL HA 1.0 1.8 5.80 103 103 A 18 VAL H A 17 VAL HA 1.0 1.8 5.82 104 104 A 17 VAL HA A 18 VAL HB 1.0 1.8 6.01 105 105 A 17 VAL H A 17 VAL HB 1.0 1.8 4.76 106 106 A 13 GLY HAx A 17 VAL HGx% 1.0 1.8 6.00 107 107 A 16 ALA HA A 17 VAL HGx% 1.0 1.8 5.90 108 108 A 17 VAL HB A 17 VAL HGx% 1.0 1.8 5.07 109 109 A 17 VAL HGx% A 54 ALA HB% 1.0 1.8 4.67 110 110 A 13 GLY HAx A 17 VAL HGy% 1.0 1.8 5.54 111 111 A 16 ALA H A 17 VAL HGy% 1.0 1.8 5.84 112 112 A 17 VAL HB A 17 VAL HGy% 1.0 1.8 4.63 113 113 A 17 VAL HGy% A 18 VAL HGx% 1.0 1.8 6.01 114 114 A 54 ALA HB% A 17 VAL HGy% 1.0 1.8 5.35 115 115 A 15 ALA HB% A 18 VAL H 1.0 1.8 6.01 116 116 A 17 VAL H A 18 VAL H 1.0 1.8 5.58 117 117 A 18 VAL H A 18 VAL HB 1.0 1.8 5.39 118 118 A 17 VAL HGx% A 18 VAL HA 1.0 1.8 6.01 119 119 A 18 VAL HA A 19 LYS H 1.0 1.8 4.93 120 120 A 18 VAL HA A 21 VAL HGy% 1.0 1.8 6.00 121 121 A 18 VAL H A 18 VAL HB 1.0 1.8 5.48 122 122 A 18 VAL HB A 18 VAL HA 1.0 1.8 5.87 123 123 A 18 VAL HB A 19 LYS HA 1.0 1.8 4.12 124 124 A 17 VAL H A 18 VAL HGx% 1.0 1.8 6.00 125 125 A 18 VAL H A 18 VAL HGx% 1.0 1.8 5.63 126 126 A 18 VAL HGx% A 18 VAL HA 1.0 1.8 5.62 127 127 A 18 VAL HGx% A 19 LYS H 1.0 1.8 5.90 128 128 A 18 VAL HGx% A 21 VAL HGy% 1.0 1.8 4.78 129 129 A 18 VAL HGx% A 22 GLU HA 1.0 1.8 5.95 130 130 A 18 VAL HGx% A 58 TYR H 1.0 1.8 6.00 131 131 A 17 VAL H A 18 VAL HGy% 1.0 1.8 4.76 132 132 A 18 VAL H A 18 VAL HGy% 1.0 1.8 5.68 133 133 A 19 LYS H A 18 VAL HGy% 1.0 1.8 5.58 134 134 A 16 ALA HB% A 19 LYS H 1.0 1.8 6.00 135 135 A 19 LYS H A 19 LYS HBx 1.0 1.8 4.95 136 136 A 19 LYS H A 19 LYS HA 1.0 1.8 4.73 137 137 A 16 ALA H A 19 LYS HDy 1.0 1.8 4.75 138 138 A 19 LYS H A 19 LYS HGx 1.0 1.8 5.29 139 139 A 17 VAL HGx% A 20 VAL H 1.0 1.8 6.01 140 140 A 19 LYS H A 20 VAL H 1.0 1.8 5.68 141 141 A 19 LYS HBx A 20 VAL H 1.0 1.8 5.55 142 142 A 20 VAL HGx% A 20 VAL H 1.0 1.8 6.01 143 143 A 20 VAL H A 21 VAL HGx% 1.0 1.8 6.01 144 144 A 17 VAL HGx% A 20 VAL HA 1.0 1.8 6.01 145 145 A 20 VAL HA A 20 VAL HB 1.0 1.8 6.00 146 146 A 20 VAL HGx% A 20 VAL HA 1.0 1.8 6.01 147 147 A 20 VAL HGx% A 20 VAL HB 1.0 1.8 6.01 148 148 A 20 VAL HGx% A 20 VAL H 1.0 1.8 4.75 149 149 A 20 VAL HGx% A 20 VAL HA 1.0 1.8 4.73 150 150 A 20 VAL HGy% A 21 VAL HB 1.0 1.8 4.63 151 151 A 20 VAL HGy% A 23 SER H 1.0 1.8 5.56 152 152 A 20 VAL HGy% A 47 ILE HD1% 1.0 1.8 5.95 153 153 A 20 VAL HGy% A 47 ILE HG2% 1.0 1.8 5.08 154 154 A 18 VAL HGx% A 21 VAL HA 1.0 1.8 6.01 155 155 A 21 VAL HGx% A 21 VAL HA 1.0 1.8 6.01 156 156 A 21 VAL HGy% A 21 VAL HA 1.0 1.8 5.89 157 157 A 21 VAL HA A 22 GLU H 1.0 1.8 6.00 158 158 A 47 ILE HG2% A 21 VAL HA 1.0 1.8 6.01 159 159 A 21 VAL HB A 21 VAL HA 1.0 1.8 5.65 160 160 A 21 VAL HGy% A 21 VAL HB 1.0 1.8 5.44 161 161 A 21 VAL HB A 47 ILE HD1% 1.0 1.8 5.63 162 162 A 21 VAL HGx% A 21 VAL HA 1.0 1.8 4.76 163 163 A 21 VAL HGx% A 21 VAL HB 1.0 1.8 4.76 164 164 A 21 VAL HGy% A 21 VAL HGx% 1.0 1.8 4.75 165 165 A 21 VAL HGx% A 38 LEU HDy% 1.0 1.8 6.01 166 166 A 18 VAL HGx% A 21 VAL HGy% 1.0 1.8 6.01 167 167 A 21 VAL HGy% A 21 VAL HA 1.0 1.8 5.98 168 168 A 21 VAL HGy% A 21 VAL HB 1.0 1.8 5.36 169 169 A 21 VAL HGy% A 21 VAL HGx% 1.0 1.8 6.01 170 170 A 21 VAL HGy% A 22 GLU H 1.0 1.8 5.84 171 171 A 21 VAL HGy% A 23 SER H 1.0 1.8 6.01 172 172 A 21 VAL HGy% A 38 LEU HDy% 1.0 1.8 6.01 173 173 A 21 VAL HGy% A 41 LEU HDx% 1.0 1.8 6.01 174 174 A 21 VAL HGy% A 47 ILE HD1% 1.0 1.8 6.00 175 175 A 21 VAL HGy% A 47 ILE HG2% 1.0 1.8 6.01 176 176 A 21 VAL HGy% A 69 VAL HGx% 1.0 1.8 5.68 177 177 A 18 VAL HGx% A 22 GLU H 1.0 1.8 6.01 178 178 A 19 LYS HDy A 22 GLU H 1.0 1.8 4.53 179 179 A 21 VAL HGx% A 22 GLU H 1.0 1.8 6.01 180 180 A 21 VAL HGy% A 22 GLU H 1.0 1.8 6.00 181 181 A 23 SER H A 22 GLU H 1.0 1.8 4.74 182 182 A 22 GLU HA A 21 VAL HB 1.0 1.8 5.75 183 183 A 22 GLU HA A 22 GLU H 1.0 1.8 5.46 184 184 A 22 GLU HA A 23 SER H 1.0 1.8 5.76 185 185 A 22 GLU HA A 69 VAL HGx% 1.0 1.8 5.65 186 186 A 22 GLU H A 22 GLU HBy 1.0 1.8 4.55 187 187 A 23 SER H A 22 GLU HBy 1.0 1.8 4.64 188 188 A 69 VAL HGx% A 22 GLU HBx 1.0 1.8 4.68 189 189 A 69 VAL HGx% A 22 GLU HGy 1.0 1.8 5.47 190 190 A 21 VAL HGy% A 22 GLU HGx 1.0 1.8 6.01 191 191 A 22 GLU HGx A 23 SER HA 1.0 1.8 5.95 192 192 A 23 SER H A 24 GLN H 1.0 1.8 4.90 193 193 A 23 SER H A 26 GLU H 1.0 1.8 5.65 194 194 A 23 SER H A 23 SER HA 1.0 1.8 4.71 195 195 A 22 GLU H A 23 SER HBy 1.0 1.8 5.41 196 196 A 20 VAL HGx% A 23 SER HBx 1.0 1.8 6.01 197 197 A 23 SER H A 23 SER HBx 1.0 1.8 4.46 198 198 A 20 VAL HGx% A 24 GLN H 1.0 1.8 6.01 199 199 A 21 VAL HGx% A 24 GLN H 1.0 1.8 6.01 200 200 A 24 GLN H A 24 GLN HA 1.0 1.8 4.50 201 201 A 24 GLN H A 25 ALA H 1.0 1.8 4.74 202 202 A 24 GLN H A 25 ALA HA 1.0 1.8 6.00 203 203 A 47 ILE HD1% A 24 GLN H 1.0 1.8 5.99 204 204 A 20 VAL HGx% A 24 GLN HA 1.0 1.8 6.01 205 205 A 24 GLN HA A 25 ALA H 1.0 1.8 5.30 206 206 A 24 GLN HA A 25 ALA HB% 1.0 1.8 5.73 207 207 A 23 SER HBx A 24 GLN HBx 1.0 1.8 6.01 208 208 A 23 SER HA A 24 GLN HBy 1.0 1.8 5.82 209 209 A 25 ALA H A 24 GLN HBy 1.0 1.8 5.02 210 210 A 24 GLN HE2x A 46 ARG H 1.0 1.8 4.72 211 211 A 24 GLN H A 24 GLN HGy 1.0 1.8 5.61 212 212 A 47 ILE HG2% A 24 GLN HGy 1.0 1.8 6.00 213 213 A 24 GLN H A 24 GLN HGx 1.0 1.8 5.66 214 214 A 47 ILE HD1% A 24 GLN HGx 1.0 1.8 6.00 215 215 A 24 GLN HE2x A 24 GLN HE2y 1.0 1.8 3.96 216 216 A 24 GLN HE2x A 24 GLN HE2y 1.0 1.8 3.96 217 217 A 25 ALA H A 25 ALA HA 1.0 1.8 5.24 218 218 A 25 ALA H A 25 ALA HB% 1.0 1.8 4.76 219 219 A 26 GLU H A 25 ALA H 1.0 1.8 5.29 220 220 A 41 LEU HDx% A 25 ALA H 1.0 1.8 6.01 221 221 A 25 ALA H A 25 ALA HA 1.0 1.8 5.19 222 222 A 25 ALA HA A 28 TYR HBx 1.0 1.8 5.91 223 223 A 21 VAL HGy% A 25 ALA HB% 1.0 1.8 5.92 224 224 A 22 GLU H A 25 ALA HB% 1.0 1.8 5.80 225 225 A 22 GLU HA A 25 ALA HB% 1.0 1.8 5.78 226 226 A 25 ALA H A 25 ALA HB% 1.0 1.8 4.71 227 227 A 26 GLU H A 25 ALA HB% 1.0 1.8 4.74 228 228 A 25 ALA HB% A 26 GLU HA 1.0 1.8 5.93 229 229 A 26 GLU H A 25 ALA H 1.0 1.8 5.54 230 230 A 26 GLU H A 25 ALA HB% 1.0 1.8 4.63 231 231 A 26 GLU H A 26 GLU HA 1.0 1.8 5.43 232 232 A 26 GLU H A 26 GLU HBy 1.0 1.8 4.68 233 233 A 26 GLU H A 26 GLU HBx 1.0 1.8 4.69 234 234 A 26 GLU H A 26 GLU HGy 1.0 1.8 5.99 235 235 A 26 GLU H A 26 GLU HA 1.0 1.8 4.61 236 236 A 26 GLU HA A 26 GLU HBy 1.0 1.8 4.65 237 237 A 22 GLU HA A 26 GLU HBx 1.0 1.8 4.75 238 238 A 26 GLU H A 26 GLU HBx 1.0 1.8 4.64 239 239 A 26 GLU H A 26 GLU HGy 1.0 1.8 5.76 240 240 A 26 GLU HA A 26 GLU HGy 1.0 1.8 4.53 241 241 A 26 GLU HGy A 27 LEU HBx 1.0 1.8 4.70 242 242 A 26 GLU HGy A 30 LEU HBx 1.0 1.8 4.65 243 243 A 27 LEU HBx A 26 GLU HGx 1.0 1.8 6.00 244 244 A 26 GLU HGx A 27 LEU H 1.0 1.8 5.62 245 245 A 27 LEU H A 27 LEU HDy% 1.0 1.8 5.91 246 246 A 27 LEU H A 28 TYR H 1.0 1.8 5.48 247 247 A 27 LEU HA A 30 LEU HDy% 1.0 1.8 4.44 248 248 A 24 GLN HA A 27 LEU HBx 1.0 1.8 6.00 249 249 A 27 LEU HBx A 30 LEU HBy 1.0 1.8 4.68 250 250 A 27 LEU HBx A 31 GLU HA 1.0 1.8 4.74 251 251 A 27 LEU HA A 27 LEU HDx% 1.0 1.8 4.69 252 252 A 27 LEU HBx A 27 LEU HDx% 1.0 1.8 5.82 253 253 A 27 LEU HDx% A 27 LEU HG 1.0 1.8 4.68 254 254 A 26 GLU H A 27 LEU HDy% 1.0 1.8 5.47 255 255 A 27 LEU HA A 27 LEU HG 1.0 1.8 4.72 256 256 A 25 ALA HB% A 28 TYR HA 1.0 1.8 5.19 257 257 A 25 ALA H A 28 TYR HBy 1.0 1.8 6.01 258 258 A 28 TYR HA A 28 TYR HBy 1.0 1.8 5.90 259 259 A 28 TYR HBx A 28 TYR HBy 1.0 1.8 5.26 260 260 A 28 TYR HBy A 36 ALA HB% 1.0 1.8 5.94 261 261 A 41 LEU HDx% A 28 TYR HBy 1.0 1.8 6.01 262 262 A 28 TYR HBx A 27 LEU HBx 1.0 1.8 4.74 263 263 A 28 TYR HBx A 28 TYR HA 1.0 1.8 5.77 264 264 A 28 TYR HBx A 28 TYR HBy 1.0 1.8 5.67 265 265 A 28 TYR HBx A 31 GLU HGx 1.0 1.8 5.25 266 266 A 41 LEU HDx% A 28 TYR HBx 1.0 1.8 6.01 267 267 A 28 TYR H A 28 TYR HDx 1.0 1.8 5.85 268 268 A 28 TYR HBx A 28 TYR HDx 1.0 1.8 5.79 269 269 A 28 TYR HDx A 46 ARG HE 1.0 1.8 6.00 270 270 A 29 SER H A 29 SER HBx 1.0 1.8 6.01 271 270 A 29 SER H A 29 SER HBy 1.0 1.8 6.01 272 271 A 29 SER H A 30 LEU H 1.0 1.8 6.00 273 272 A 36 ALA HB% A 29 SER H 1.0 1.8 6.00 274 273 A 29 SER H A 29 SER HA 1.0 1.8 4.99 275 274 A 29 SER HA A 29 SER HBx 1.0 1.8 5.26 276 274 A 29 SER HBy A 29 SER HA 1.0 1.8 5.26 277 275 A 30 LEU H A 29 SER HA 1.0 1.8 5.97 278 276 A 26 GLU HGy A 29 SER HBy 1.0 1.8 4.76 279 277 A 71 ASP HBx A 29 SER HBx 1.0 1.8 6.01 280 278 A 30 LEU HBy A 30 LEU H 1.0 1.8 5.69 281 279 A 30 LEU HDy% A 30 LEU H 1.0 1.8 5.74 282 280 A 31 GLU HA A 30 LEU H 1.0 1.8 5.57 283 281 A 27 LEU HBx A 30 LEU HA 1.0 1.8 5.14 284 282 A 30 LEU H A 30 LEU HA 1.0 1.8 4.90 285 283 A 30 LEU HBy A 30 LEU HA 1.0 1.8 5.46 286 284 A 27 LEU HBx A 30 LEU HBy 1.0 1.8 4.71 287 285 A 26 GLU HA A 30 LEU HBx 1.0 1.8 6.01 288 286 A 30 LEU HBx A 27 LEU HA 1.0 1.8 5.08 289 287 A 30 LEU HBy A 30 LEU HDx% 1.0 1.8 4.73 290 288 A 30 LEU HDy% A 29 SER HBx 1.0 1.8 6.01 291 288 A 30 LEU HDy% A 29 SER HBy 1.0 1.8 6.01 292 289 A 30 LEU HDy% A 30 LEU H 1.0 1.8 5.86 293 290 A 30 LEU HDy% A 30 LEU HA 1.0 1.8 4.54 294 291 A 30 LEU HBx A 30 LEU HDy% 1.0 1.8 4.75 295 292 A 30 LEU H A 30 LEU HG 1.0 1.8 4.86 296 293 A 30 LEU HA A 31 GLU H 1.0 1.8 6.00 297 294 A 31 GLU HA A 31 GLU H 1.0 1.8 5.74 298 295 A 31 GLU H A 31 GLU HBx 1.0 1.8 5.61 299 296 A 31 GLU H A 32 LYS HA 1.0 1.8 5.90 300 297 A 31 GLU HA A 31 GLU HGx 1.0 1.8 4.92 301 298 A 31 GLU HBy A 32 LYS H 1.0 1.8 4.77 302 299 A 27 LEU HA A 31 GLU HBx 1.0 1.8 5.28 303 300 A 31 GLU H A 31 GLU HBx 1.0 1.8 4.76 304 301 A 31 GLU H A 32 LYS H 1.0 1.8 5.85 305 302 A 31 GLU HBy A 32 LYS H 1.0 1.8 4.65 306 303 A 32 LYS HA A 32 LYS H 1.0 1.8 5.81 307 304 A 32 LYS H A 33 ASN H 1.0 1.8 5.52 308 305 A 29 SER H A 32 LYS HBy 1.0 1.8 5.14 309 306 A 32 LYS HBy A 32 LYS HBx 1.0 1.8 5.24 310 307 A 32 LYS HBy A 32 LYS HDy 1.0 1.8 5.61 311 308 A 32 LYS HBy A 34 GLU H 1.0 1.8 5.99 312 309 A 29 SER H A 32 LYS HBx 1.0 1.8 5.04 313 310 A 32 LYS HBy A 32 LYS HBx 1.0 1.8 5.27 314 311 A 32 LYS HBx A 32 LYS HGx 1.0 1.8 4.57 315 311 A 32 LYS HBx A 32 LYS HGy 1.0 1.8 4.57 316 312 A 32 LYS HBx A 34 GLU H 1.0 1.8 5.93 317 313 A 32 LYS HDy A 32 LYS HEy 1.0 1.8 5.65 318 314 A 34 GLU H A 32 LYS HEx 1.0 1.8 5.72 319 314 A 34 GLU H A 32 LYS HEy 1.0 1.8 5.72 320 315 A 29 SER H A 32 LYS HGy 1.0 1.8 5.39 321 316 A 32 LYS HBy A 32 LYS HGy 1.0 1.8 5.96 322 317 A 32 LYS HGy A 32 LYS HGx 1.0 1.8 6.00 323 318 A 27 LEU HA A 32 LYS HGx 1.0 1.8 6.00 324 319 A 28 TYR HBx A 32 LYS HGx 1.0 1.8 5.86 325 320 A 29 SER H A 33 ASN H 1.0 1.8 4.72 326 321 A 33 ASN H A 33 ASN HA 1.0 1.8 4.76 327 322 A 33 ASN H A 34 GLU H 1.0 1.8 5.25 328 323 A 33 ASN H A 34 GLU HBy 1.0 1.8 6.01 329 324 A 33 ASN H A 33 ASN HA 1.0 1.8 4.76 330 325 A 33 ASN HA A 33 ASN HBy 1.0 1.8 5.82 331 326 A 33 ASN HA A 33 ASN HBx 1.0 1.8 5.67 332 327 A 33 ASN H A 33 ASN HBy 1.0 1.8 5.89 333 328 A 33 ASN HA A 33 ASN HBy 1.0 1.8 5.71 334 329 A 33 ASN HBy A 33 ASN HD2y 1.0 1.8 5.86 335 330 A 33 ASN HBy A 33 ASN HD2x 1.0 1.8 6.00 336 331 A 33 ASN H A 33 ASN HBx 1.0 1.8 5.88 337 332 A 33 ASN HA A 33 ASN HBx 1.0 1.8 4.33 338 333 A 33 ASN HBy A 33 ASN HBx 1.0 1.8 4.68 339 334 A 33 ASN HBx A 33 ASN HD2y 1.0 1.8 5.82 340 335 A 33 ASN HBx A 33 ASN HD2x 1.0 1.8 6.00 341 336 A 34 GLU H A 33 ASN HBx 1.0 1.8 6.00 342 337 A 31 GLU HGx A 33 ASN HD2y 1.0 1.8 6.00 343 338 A 32 LYS HA A 33 ASN HD2y 1.0 1.8 6.00 344 339 A 33 ASN HD2y A 33 ASN HD2x 1.0 1.8 4.34 345 340 A 33 ASN HD2y A 33 ASN HD2x 1.0 1.8 4.24 346 341 A 33 ASN H A 34 GLU H 1.0 1.8 5.24 347 342 A 34 GLU H A 33 ASN HA 1.0 1.8 6.00 348 343 A 34 GLU H A 71 ASP H 1.0 1.8 6.00 349 344 A 34 GLU HA A 35 ASP H 1.0 1.8 4.53 350 345 A 34 GLU H A 34 GLU HGx 1.0 1.8 5.10 351 346 A 34 GLU H A 35 ASP H 1.0 1.8 5.09 352 347 A 34 GLU HA A 35 ASP H 1.0 1.8 4.88 353 348 A 34 GLU HBy A 35 ASP H 1.0 1.8 6.01 354 349 A 35 ASP H A 35 ASP HA 1.0 1.8 4.46 355 350 A 35 ASP H A 35 ASP HBy 1.0 1.8 5.13 356 351 A 34 GLU H A 35 ASP HA 1.0 1.8 4.67 357 352 A 35 ASP HA A 35 ASP HBx 1.0 1.8 6.01 358 353 A 35 ASP HA A 36 ALA H 1.0 1.8 4.62 359 354 A 36 ALA HB% A 35 ASP HA 1.0 1.8 6.00 360 355 A 35 ASP H A 35 ASP HBy 1.0 1.8 4.69 361 356 A 35 ASP HA A 35 ASP HBy 1.0 1.8 4.44 362 357 A 35 ASP HBy A 36 ALA H 1.0 1.8 4.86 363 358 A 35 ASP HA A 36 ALA H 1.0 1.8 4.72 364 359 A 35 ASP HBy A 36 ALA H 1.0 1.8 5.65 365 360 A 36 ALA HB% A 36 ALA H 1.0 1.8 5.88 366 361 A 36 ALA H A 36 ALA HA 1.0 1.8 5.21 367 362 A 36 ALA HB% A 36 ALA HA 1.0 1.8 4.74 368 363 A 36 ALA HA A 37 SER H 1.0 1.8 4.72 369 364 A 36 ALA HA A 67 ARG HBy 1.0 1.8 4.57 370 365 A 36 ALA HA A 68 LYS HGy 1.0 1.8 4.58 371 366 A 36 ALA HB% A 35 ASP HA 1.0 1.8 6.00 372 367 A 36 ALA HB% A 36 ALA H 1.0 1.8 4.72 373 368 A 36 ALA HB% A 36 ALA HA 1.0 1.8 4.75 374 369 A 36 ALA HB% A 37 SER H 1.0 1.8 4.72 375 370 A 36 ALA H A 37 SER H 1.0 1.8 6.00 376 371 A 36 ALA HA A 37 SER H 1.0 1.8 5.60 377 372 A 36 ALA HB% A 37 SER H 1.0 1.8 5.83 378 373 A 37 SER H A 40 LYS H 1.0 1.8 6.00 379 374 A 37 SER H A 41 LEU H 1.0 1.8 5.77 380 375 A 37 SER HBy A 37 SER HBx 1.0 1.8 4.75 381 376 A 37 SER HBy A 38 LEU H 1.0 1.8 4.96 382 377 A 37 SER H A 37 SER HBx 1.0 1.8 6.00 383 378 A 37 SER HBy A 37 SER HBx 1.0 1.8 5.79 384 379 A 38 LEU HDy% A 37 SER HBx 1.0 1.8 6.01 385 380 A 37 SER HBx A 69 VAL H 1.0 1.8 6.00 386 381 A 37 SER HBy A 37 SER HG 1.0 1.8 5.96 387 382 A 37 SER HBx A 37 SER HG 1.0 1.8 5.95 388 383 A 38 LEU H A 37 SER HA 1.0 1.8 5.91 389 384 A 38 LEU H A 39 ARG H 1.0 1.8 5.60 390 385 A 38 LEU H A 52 ALA HB% 1.0 1.8 6.00 391 386 A 38 LEU H A 69 VAL HA 1.0 1.8 6.00 392 387 A 38 LEU H A 70 ASN HBy 1.0 1.8 6.00 393 388 A 38 LEU H A 38 LEU HA 1.0 1.8 5.27 394 389 A 38 LEU HDy% A 38 LEU HA 1.0 1.8 6.01 395 390 A 38 LEU HA A 39 ARG HGx 1.0 1.8 6.00 396 391 A 41 LEU HDx% A 38 LEU HA 1.0 1.8 6.01 397 392 A 38 LEU H A 38 LEU HBy 1.0 1.8 5.61 398 393 A 38 LEU HA A 38 LEU HBy 1.0 1.8 6.00 399 394 A 38 LEU HBy A 38 LEU HBx 1.0 1.8 5.40 400 395 A 38 LEU HDy% A 38 LEU HBy 1.0 1.8 6.01 401 396 A 38 LEU HBy A 38 LEU HG 1.0 1.8 5.93 402 397 A 39 ARG H A 38 LEU HBy 1.0 1.8 5.18 403 398 A 38 LEU HBy A 38 LEU HBx 1.0 1.8 5.39 404 399 A 38 LEU HDy% A 38 LEU HBx 1.0 1.8 6.01 405 400 A 39 ARG H A 38 LEU HBx 1.0 1.8 5.39 406 401 A 41 LEU HDx% A 38 LEU HBx 1.0 1.8 5.97 407 402 A 21 VAL HGy% A 38 LEU HDx% 1.0 1.8 6.00 408 403 A 38 LEU H A 38 LEU HDx% 1.0 1.8 5.92 409 404 A 21 VAL HGy% A 38 LEU HDy% 1.0 1.8 5.35 410 405 A 38 LEU HDy% A 37 SER H 1.0 1.8 5.54 411 406 A 38 LEU HDy% A 38 LEU H 1.0 1.8 5.02 412 407 A 38 LEU HDy% A 38 LEU HBx 1.0 1.8 5.98 413 408 A 38 LEU HDy% A 38 LEU HG 1.0 1.8 4.93 414 409 A 38 LEU HDy% A 39 ARG H 1.0 1.8 5.70 415 410 A 38 LEU HDy% A 42 GLN HA 1.0 1.8 6.00 416 411 A 38 LEU HDy% A 43 ALA H 1.0 1.8 5.89 417 412 A 38 LEU HDy% A 55 TYR H 1.0 1.8 5.74 418 413 A 38 LEU HDy% A 38 LEU HG 1.0 1.8 6.01 419 414 A 39 ARG H A 38 LEU HG 1.0 1.8 5.86 420 415 A 37 SER H A 39 ARG H 1.0 1.8 5.64 421 416 A 38 LEU H A 39 ARG H 1.0 1.8 5.81 422 417 A 39 ARG H A 39 ARG HBy 1.0 1.8 5.80 423 418 A 39 ARG H A 39 ARG HBx 1.0 1.8 5.80 424 419 A 38 LEU HDy% A 39 ARG HA 1.0 1.8 6.01 425 420 A 39 ARG H A 39 ARG HA 1.0 1.8 4.75 426 421 A 39 ARG HBy A 39 ARG HA 1.0 1.8 4.47 427 422 A 39 ARG HBx A 39 ARG HA 1.0 1.8 4.48 428 423 A 39 ARG HA A 39 ARG HGy 1.0 1.8 5.84 429 424 A 39 ARG HBy A 43 ALA HA 1.0 1.8 5.90 430 425 A 39 ARG HGx A 39 ARG HDy 1.0 1.8 5.59 431 426 A 39 ARG H A 39 ARG HDx 1.0 1.8 5.95 432 427 A 39 ARG HGy A 39 ARG HDx 1.0 1.8 5.71 433 428 A 39 ARG HGx A 39 ARG HDx 1.0 1.8 5.99 434 429 A 39 ARG HDx A 56 LYS HGy 1.0 1.8 4.54 435 430 A 39 ARG HGy A 39 ARG HDy 1.0 1.8 4.74 436 431 A 36 ALA HA A 39 ARG HGx 1.0 1.8 5.98 437 432 A 38 LEU H A 39 ARG HGx 1.0 1.8 4.80 438 433 A 38 LEU HDy% A 39 ARG HGx 1.0 1.8 6.01 439 434 A 37 SER H A 40 LYS H 1.0 1.8 6.00 440 435 A 40 LYS H A 39 ARG H 1.0 1.8 5.41 441 436 A 40 LYS H A 40 LYS HA 1.0 1.8 5.46 442 437 A 40 LYS H A 41 LEU H 1.0 1.8 5.30 443 438 A 40 LYS H A 40 LYS HA 1.0 1.8 4.06 444 439 A 40 LYS HA A 40 LYS HBy 1.0 1.8 4.41 445 440 A 37 SER H A 40 LYS HBy 1.0 1.8 4.76 446 441 A 39 ARG HA A 40 LYS HBy 1.0 1.8 4.53 447 442 A 40 LYS HBy A 40 LYS HBx 1.0 1.8 5.84 448 443 A 41 LEU H A 40 LYS HBy 1.0 1.8 4.64 449 444 A 41 LEU HDx% A 40 LYS HBy 1.0 1.8 6.01 450 445 A 41 LEU H A 40 LYS HBx 1.0 1.8 4.74 451 446 A 40 LYS HBx A 41 LEU HDy% 1.0 1.8 5.66 452 447 A 43 ALA HA A 40 LYS HBx 1.0 1.8 5.44 453 448 A 39 ARG H A 40 LYS HDy 1.0 1.8 4.60 454 449 A 40 LYS HDy A 40 LYS HEy 1.0 1.8 6.01 455 450 A 40 LYS HDy A 44 ASP H 1.0 1.8 5.97 456 451 A 40 LYS H A 40 LYS HDx 1.0 1.8 4.50 457 452 A 43 ALA H A 40 LYS HDx 1.0 1.8 5.19 458 453 A 40 LYS H A 40 LYS HGx 1.0 1.8 4.72 459 454 A 40 LYS H A 41 LEU H 1.0 1.8 5.26 460 455 A 47 ILE HG2% A 41 LEU H 1.0 1.8 6.00 461 456 A 41 LEU H A 41 LEU HA 1.0 1.8 4.75 462 457 A 41 LEU HDx% A 41 LEU HA 1.0 1.8 6.01 463 458 A 41 LEU HDy% A 41 LEU HA 1.0 1.8 6.00 464 459 A 41 LEU HA A 42 GLN H 1.0 1.8 4.67 465 460 A 41 LEU HA A 47 ILE HG1x 1.0 1.8 6.01 466 460 A 41 LEU HA A 47 ILE HG1y 1.0 1.8 6.01 467 461 A 41 LEU HA A 41 LEU HBy 1.0 1.8 6.00 468 462 A 41 LEU HDy% A 41 LEU HBy 1.0 1.8 5.94 469 463 A 41 LEU HBy A 41 LEU HG 1.0 1.8 4.97 470 464 A 41 LEU HBy A 41 LEU HBx 1.0 1.8 5.00 471 465 A 42 GLN H A 41 LEU HBx 1.0 1.8 4.78 472 466 A 42 GLN HA A 41 LEU HBx 1.0 1.8 5.74 473 467 A 41 LEU HDx% A 41 LEU HA 1.0 1.8 4.69 474 468 A 25 ALA HB% A 41 LEU HDy% 1.0 1.8 4.69 475 469 A 36 ALA H A 41 LEU HDy% 1.0 1.8 6.00 476 470 A 40 LYS H A 41 LEU HDy% 1.0 1.8 4.67 477 471 A 41 LEU H A 41 LEU HDy% 1.0 1.8 4.73 478 472 A 41 LEU HDy% A 41 LEU HBy 1.0 1.8 4.75 479 473 A 41 LEU HDy% A 41 LEU HBx 1.0 1.8 5.42 480 474 A 41 LEU HDy% A 41 LEU HG 1.0 1.8 4.74 481 475 A 38 LEU H A 41 LEU HG 1.0 1.8 5.65 482 476 A 38 LEU HA A 41 LEU HG 1.0 1.8 6.00 483 477 A 38 LEU HDy% A 41 LEU HG 1.0 1.8 6.01 484 478 A 38 LEU HG A 41 LEU HG 1.0 1.8 5.53 485 479 A 41 LEU HDy% A 41 LEU HG 1.0 1.8 5.85 486 480 A 42 GLN HA A 41 LEU HG 1.0 1.8 5.40 487 481 A 41 LEU HG A 42 GLN HE2x 1.0 1.8 5.84 488 482 A 47 ILE HG2% A 41 LEU HG 1.0 1.8 5.99 489 483 A 42 GLN HA A 42 GLN H 1.0 1.8 4.68 490 484 A 42 GLN H A 42 GLN HBy 1.0 1.8 4.96 491 485 A 42 GLN HA A 42 GLN H 1.0 1.8 4.68 492 486 A 38 LEU HDy% A 42 GLN HBy 1.0 1.8 6.01 493 487 A 41 LEU H A 42 GLN HBy 1.0 1.8 5.69 494 488 A 41 LEU HDx% A 42 GLN HBy 1.0 1.8 6.01 495 489 A 42 GLN HBy A 42 GLN HE2y 1.0 1.8 5.14 496 490 A 42 GLN HE2x A 42 GLN HBy 1.0 1.8 5.04 497 491 A 38 LEU HDy% A 42 GLN HBx 1.0 1.8 6.01 498 492 A 38 LEU HG A 42 GLN HBx 1.0 1.8 6.00 499 493 A 41 LEU HDx% A 42 GLN HBx 1.0 1.8 6.01 500 494 A 42 GLN HE2x A 42 GLN HE2y 1.0 1.8 3.96 501 495 A 42 GLN HE2x A 42 GLN HE2y 1.0 1.8 3.96 502 496 A 42 GLN H A 42 GLN HE2x 1.0 1.8 4.46 503 497 A 52 ALA HB% A 42 GLN HE2x 1.0 1.8 5.93 504 498 A 43 ALA HA A 42 GLN HGy 1.0 1.8 5.90 505 499 A 42 GLN HGy A 47 ILE HG1x 1.0 1.8 6.01 506 499 A 47 ILE HG1y A 42 GLN HGy 1.0 1.8 6.01 507 500 A 38 LEU HDy% A 42 GLN HGx 1.0 1.8 6.01 508 501 A 41 LEU HDy% A 42 GLN HGx 1.0 1.8 6.00 509 502 A 42 GLN HA A 42 GLN HGx 1.0 1.8 4.72 510 503 A 43 ALA H A 42 GLN HGx 1.0 1.8 4.68 511 504 A 44 ASP H A 42 GLN HGx 1.0 1.8 6.00 512 505 A 47 ILE HG2% A 42 GLN HGx 1.0 1.8 4.75 513 506 A 42 GLN HA A 43 ALA H 1.0 1.8 5.71 514 507 A 43 ALA H A 42 GLN HBx 1.0 1.8 4.58 515 508 A 43 ALA H A 43 ALA HA 1.0 1.8 5.42 516 509 A 43 ALA H A 43 ALA HB% 1.0 1.8 4.37 517 510 A 43 ALA H A 44 ASP H 1.0 1.8 5.11 518 511 A 43 ALA HA A 42 GLN HBx 1.0 1.8 4.44 519 512 A 43 ALA H A 43 ALA HA 1.0 1.8 4.69 520 513 A 43 ALA HA A 43 ALA HB% 1.0 1.8 4.05 521 514 A 43 ALA HA A 44 ASP H 1.0 1.8 5.37 522 515 A 42 GLN H A 43 ALA HB% 1.0 1.8 4.75 523 516 A 43 ALA H A 43 ALA HB% 1.0 1.8 4.40 524 517 A 44 ASP H A 43 ALA HB% 1.0 1.8 4.87 525 518 A 43 ALA H A 44 ASP H 1.0 1.8 4.76 526 519 A 44 ASP H A 43 ALA HB% 1.0 1.8 5.84 527 520 A 44 ASP H A 44 ASP HBy 1.0 1.8 4.61 528 521 A 44 ASP H A 44 ASP HA 1.0 1.8 5.34 529 522 A 44 ASP HA A 44 ASP HBx 1.0 1.8 5.88 530 523 A 46 ARG H A 44 ASP HA 1.0 1.8 6.00 531 524 A 43 ALA H A 44 ASP HBx 1.0 1.8 5.82 532 525 A 44 ASP H A 44 ASP HBx 1.0 1.8 4.64 533 526 A 46 ARG H A 44 ASP HBx 1.0 1.8 5.52 534 527 A 46 ARG HE A 44 ASP HBx 1.0 1.8 6.01 535 528 A 42 GLN HA A 45 GLY H 1.0 1.8 5.89 536 529 A 44 ASP H A 45 GLY H 1.0 1.8 5.55 537 530 A 44 ASP HBx A 45 GLY H 1.0 1.8 6.00 538 531 A 45 GLY H A 45 GLY HAy 1.0 1.8 5.86 539 532 A 46 ARG H A 45 GLY H 1.0 1.8 4.85 540 533 A 43 ALA HB% A 45 GLY HAx 1.0 1.8 5.97 541 534 A 45 GLY HAx A 47 ILE HG1x 1.0 1.8 6.01 542 534 A 47 ILE HG1y A 45 GLY HAx 1.0 1.8 6.01 543 535 A 46 ARG H A 46 ARG HA 1.0 1.8 5.82 544 536 A 46 ARG H A 47 ILE H 1.0 1.8 6.01 545 537 A 46 ARG H A 47 ILE HG1x 1.0 1.8 6.01 546 537 A 46 ARG H A 47 ILE HG1y 1.0 1.8 6.01 547 538 A 46 ARG H A 46 ARG HA 1.0 1.8 4.75 548 539 A 45 GLY H A 46 ARG HBy 1.0 1.8 6.01 549 540 A 46 ARG H A 46 ARG HBy 1.0 1.8 5.46 550 541 A 41 LEU HA A 46 ARG HBx 1.0 1.8 5.87 551 542 A 41 LEU HDy% A 46 ARG HBx 1.0 1.8 5.73 552 543 A 47 ILE HD1% A 46 ARG HBx 1.0 1.8 6.01 553 544 A 46 ARG HDy A 46 ARG HDx 1.0 1.8 4.72 554 545 A 46 ARG HE A 46 ARG HDy 1.0 1.8 6.01 555 546 A 46 ARG HDy A 47 ILE HG1x 1.0 1.8 6.01 556 546 A 47 ILE HG1y A 46 ARG HDy 1.0 1.8 6.01 557 547 A 46 ARG H A 46 ARG HDx 1.0 1.8 5.95 558 548 A 46 ARG HDy A 46 ARG HDx 1.0 1.8 4.82 559 549 A 46 ARG HE A 46 ARG HDx 1.0 1.8 6.00 560 550 A 46 ARG HDx A 46 ARG HGx 1.0 1.8 4.21 561 551 A 46 ARG HGy A 47 ILE HG1x 1.0 1.8 6.01 562 551 A 47 ILE HG1y A 46 ARG HGy 1.0 1.8 6.01 563 552 A 46 ARG H A 46 ARG HGx 1.0 1.8 4.66 564 553 A 46 ARG HDy A 46 ARG HGx 1.0 1.8 5.62 565 554 A 46 ARG HDx A 46 ARG HGx 1.0 1.8 4.68 566 555 A 46 ARG HE A 46 ARG HGx 1.0 1.8 5.98 567 556 A 47 ILE H A 46 ARG HGx 1.0 1.8 6.01 568 557 A 47 ILE HG2% A 46 ARG HGx 1.0 1.8 6.00 569 558 A 47 ILE HA A 47 ILE HG1x 1.0 1.8 6.01 570 558 A 47 ILE HG1y A 47 ILE HA 1.0 1.8 6.01 571 559 A 52 ALA HB% A 47 ILE HA 1.0 1.8 4.44 572 560 A 47 ILE H A 47 ILE HB 1.0 1.8 6.01 573 561 A 47 ILE HD1% A 47 ILE HB 1.0 1.8 5.64 574 562 A 47 ILE HD1% A 38 LEU HDy% 1.0 1.8 6.01 575 563 A 47 ILE HD1% A 42 GLN H 1.0 1.8 4.73 576 564 A 47 ILE HD1% A 42 GLN HA 1.0 1.8 5.98 577 565 A 47 ILE HD1% A 47 ILE H 1.0 1.8 6.01 578 566 A 47 ILE HD1% A 51 GLN HA 1.0 1.8 6.00 579 567 A 47 ILE HD1% A 52 ALA H 1.0 1.8 4.97 580 568 A 46 ARG H A 47 ILE HG1x 1.0 1.8 5.51 581 569 A 46 ARG HBy A 47 ILE HG1x 1.0 1.8 5.29 582 570 A 46 ARG HDx A 47 ILE HG1x 1.0 1.8 5.66 583 571 A 52 ALA HA A 47 ILE HG1x 1.0 1.8 4.72 584 572 A 46 ARG H A 47 ILE HG1y 1.0 1.8 5.88 585 573 A 47 ILE HG1y A 46 ARG HDx 1.0 1.8 5.38 586 574 A 47 ILE HG1y A 47 ILE H 1.0 1.8 6.01 587 575 A 47 ILE HG1y A 47 ILE HA 1.0 1.8 6.00 588 576 A 47 ILE HD1% A 47 ILE HG1y 1.0 1.8 4.82 589 577 A 47 ILE HG1y A 47 ILE HG1x 1.0 1.8 4.46 590 578 A 47 ILE HG2% A 47 ILE HG1y 1.0 1.8 5.54 591 579 A 47 ILE HG1y A 50 GLU H 1.0 1.8 5.76 592 580 A 47 ILE HG1y A 52 ALA H 1.0 1.8 5.55 593 581 A 47 ILE HG2% A 38 LEU HDy% 1.0 1.8 6.01 594 582 A 47 ILE HG2% A 41 LEU HDy% 1.0 1.8 5.65 595 583 A 47 ILE HG2% A 42 GLN HA 1.0 1.8 5.78 596 584 A 47 ILE HG2% A 52 ALA HB% 1.0 1.8 5.33 597 585 A 48 THR HA A 48 THR HG2% 1.0 1.8 5.03 598 586 A 48 THR HA A 49 GLU H 1.0 1.8 4.73 599 587 A 45 GLY HAx A 48 THR HB 1.0 1.8 5.51 600 588 A 47 ILE H A 48 THR HB 1.0 1.8 6.01 601 589 A 47 ILE HG2% A 48 THR HB 1.0 1.8 5.64 602 590 A 48 THR HG2% A 48 THR HB 1.0 1.8 4.74 603 591 A 49 GLU H A 48 THR HB 1.0 1.8 5.19 604 592 A 50 GLU H A 48 THR HB 1.0 1.8 4.62 605 593 A 48 THR HB A 51 GLN H 1.0 1.8 5.87 606 594 A 48 THR HA A 48 THR HG2% 1.0 1.8 5.73 607 595 A 48 THR HG2% A 49 GLU H 1.0 1.8 5.52 608 596 A 48 THR HA A 49 GLU H 1.0 1.8 5.70 609 597 A 48 THR HG2% A 49 GLU H 1.0 1.8 5.70 610 598 A 49 GLU H A 49 GLU HBy 1.0 1.8 5.80 611 599 A 49 GLU H A 49 GLU HBx 1.0 1.8 5.55 612 600 A 50 GLU H A 49 GLU H 1.0 1.8 5.04 613 601 A 49 GLU H A 51 GLN H 1.0 1.8 6.01 614 602 A 42 GLN HE2y A 49 GLU HA 1.0 1.8 5.94 615 603 A 42 GLN HE2x A 49 GLU HA 1.0 1.8 5.77 616 604 A 49 GLU H A 49 GLU HA 1.0 1.8 5.28 617 605 A 49 GLU HA A 49 GLU HGx 1.0 1.8 4.39 618 606 A 49 GLU HA A 49 GLU HGy 1.0 1.8 4.41 619 607 A 49 GLU HBx A 49 GLU HA 1.0 1.8 4.37 620 608 A 50 GLU H A 49 GLU H 1.0 1.8 5.00 621 609 A 50 GLU H A 49 GLU HA 1.0 1.8 5.09 622 610 A 50 GLU H A 49 GLU HBx 1.0 1.8 4.56 623 611 A 50 GLU H A 49 GLU HGx 1.0 1.8 5.89 624 612 A 50 GLU H A 50 GLU HBy 1.0 1.8 4.54 625 613 A 50 GLU H A 50 GLU HA 1.0 1.8 4.70 626 614 A 49 GLU H A 50 GLU HBy 1.0 1.8 4.66 627 615 A 50 GLU H A 50 GLU HBy 1.0 1.8 4.34 628 616 A 51 GLN H A 50 GLU HBy 1.0 1.8 4.74 629 617 A 21 VAL HGx% A 51 GLN H 1.0 1.8 6.01 630 618 A 50 GLU H A 51 GLN H 1.0 1.8 5.20 631 619 A 52 ALA HB% A 51 GLN H 1.0 1.8 4.72 632 620 A 54 ALA HB% A 51 GLN H 1.0 1.8 5.97 633 621 A 51 GLN HA A 51 GLN H 1.0 1.8 4.69 634 622 A 51 GLN HA A 51 GLN HGx 1.0 1.8 6.00 635 623 A 51 GLN HA A 52 ALA H 1.0 1.8 4.45 636 624 A 51 GLN H A 51 GLN HBy 1.0 1.8 4.70 637 625 A 52 ALA H A 51 GLN HBy 1.0 1.8 4.73 638 626 A 47 ILE HG2% A 51 GLN HBx 1.0 1.8 5.90 639 627 A 50 GLU H A 51 GLN HBx 1.0 1.8 5.91 640 628 A 51 GLN H A 51 GLN HBx 1.0 1.8 4.98 641 629 A 51 GLN HA A 51 GLN HBx 1.0 1.8 4.51 642 630 A 51 GLN H A 51 GLN HE2y 1.0 1.8 5.91 643 631 A 51 GLN HE2y A 51 GLN HE2x 1.0 1.8 3.96 644 632 A 51 GLN HE2y A 51 GLN HE2x 1.0 1.8 3.96 645 633 A 21 VAL HGy% A 51 GLN HE2x 1.0 1.8 6.00 646 634 A 52 ALA HB% A 51 GLN HE2x 1.0 1.8 5.93 647 635 A 17 VAL HGx% A 51 GLN HGx 1.0 1.8 6.01 648 636 A 47 ILE HG2% A 51 GLN HGx 1.0 1.8 5.71 649 637 A 49 GLU HA A 51 GLN HGx 1.0 1.8 4.72 650 638 A 52 ALA H A 51 GLN H 1.0 1.8 5.26 651 639 A 52 ALA H A 52 ALA HA 1.0 1.8 5.39 652 640 A 52 ALA HB% A 52 ALA H 1.0 1.8 4.72 653 641 A 52 ALA H A 53 LYS HA 1.0 1.8 4.70 654 642 A 38 LEU HG A 52 ALA HA 1.0 1.8 6.00 655 643 A 47 ILE HD1% A 52 ALA HA 1.0 1.8 5.88 656 644 A 52 ALA HB% A 52 ALA HA 1.0 1.8 4.66 657 645 A 52 ALA HA A 53 LYS HGx 1.0 1.8 5.69 658 646 A 52 ALA HB% A 42 GLN HE2y 1.0 1.8 6.00 659 647 A 47 ILE HD1% A 52 ALA HB% 1.0 1.8 5.14 660 648 A 52 ALA HB% A 52 ALA H 1.0 1.8 4.44 661 649 A 52 ALA HB% A 52 ALA HA 1.0 1.8 4.66 662 650 A 52 ALA HA A 53 LYS H 1.0 1.8 6.00 663 651 A 53 LYS H A 53 LYS HBy 1.0 1.8 4.73 664 652 A 54 ALA HB% A 53 LYS H 1.0 1.8 6.00 665 653 A 53 LYS HA A 53 LYS H 1.0 1.8 4.73 666 654 A 53 LYS HA A 53 LYS HBx 1.0 1.8 4.65 667 655 A 54 ALA HB% A 53 LYS HA 1.0 1.8 5.87 668 656 A 53 LYS HBx A 54 ALA HA 1.0 1.8 5.87 669 657 A 53 LYS H A 53 LYS HBy 1.0 1.8 4.71 670 658 A 53 LYS HA A 53 LYS HBy 1.0 1.8 4.70 671 659 A 53 LYS H A 53 LYS HGy 1.0 1.8 4.74 672 660 A 53 LYS HGy A 57 GLU H 1.0 1.8 5.80 673 661 A 53 LYS HGy A 57 GLU HA 1.0 1.8 6.00 674 662 A 54 ALA HA A 54 ALA H 1.0 1.8 5.61 675 663 A 54 ALA HB% A 54 ALA H 1.0 1.8 4.39 676 664 A 55 TYR H A 54 ALA H 1.0 1.8 4.67 677 665 A 54 ALA HA A 54 ALA H 1.0 1.8 4.65 678 666 A 54 ALA HB% A 54 ALA HA 1.0 1.8 5.36 679 667 A 54 ALA HA A 57 GLU HBy 1.0 1.8 4.48 680 668 A 54 ALA HA A 57 GLU HBx 1.0 1.8 4.50 681 669 A 54 ALA HA A 57 GLU HGx 1.0 1.8 6.01 682 670 A 54 ALA HB% A 55 TYR H 1.0 1.8 4.73 683 671 A 55 TYR H A 51 GLN H 1.0 1.8 5.26 684 672 A 52 ALA HB% A 55 TYR H 1.0 1.8 4.48 685 673 A 55 TYR H A 54 ALA H 1.0 1.8 5.47 686 674 A 55 TYR H A 54 ALA HA 1.0 1.8 6.00 687 675 A 54 ALA HB% A 55 TYR H 1.0 1.8 5.69 688 676 A 55 TYR H A 55 TYR HBx 1.0 1.8 5.95 689 677 A 55 TYR H A 56 LYS H 1.0 1.8 4.92 690 678 A 55 TYR H A 56 LYS HBx 1.0 1.8 5.33 691 679 A 58 TYR H A 55 TYR H 1.0 1.8 5.76 692 680 A 55 TYR H A 59 HIS H 1.0 1.8 5.61 693 681 A 17 VAL HGx% A 55 TYR HA 1.0 1.8 6.01 694 682 A 55 TYR H A 55 TYR HA 1.0 1.8 4.67 695 683 A 55 TYR HBx A 56 LYS H 1.0 1.8 5.43 696 684 A 55 TYR H A 55 TYR HBy 1.0 1.8 5.32 697 685 A 56 LYS H A 55 TYR HBy 1.0 1.8 5.72 698 686 A 55 TYR HBy A 58 TYR HA 1.0 1.8 6.01 699 687 A 21 VAL HGx% A 55 TYR HBx 1.0 1.8 6.01 700 688 A 38 LEU HG A 55 TYR HBx 1.0 1.8 6.00 701 689 A 54 ALA H A 55 TYR HBx 1.0 1.8 5.99 702 690 A 55 TYR H A 55 TYR HBx 1.0 1.8 4.76 703 691 A 55 TYR HBx A 55 TYR HA 1.0 1.8 6.01 704 692 A 55 TYR HBx A 55 TYR HBy 1.0 1.8 5.69 705 693 A 56 LYS HGy A 55 TYR HBx 1.0 1.8 4.58 706 694 A 55 TYR HBx A 59 HIS H 1.0 1.8 5.61 707 695 A 18 VAL HA A 55 TYR HDx 1.0 1.8 5.83 708 696 A 22 GLU H A 55 TYR HDx 1.0 1.8 5.69 709 697 A 38 LEU HDy% A 55 TYR HDx 1.0 1.8 6.01 710 698 A 55 TYR H A 55 TYR HDx 1.0 1.8 5.40 711 699 A 56 LYS H A 55 TYR HDx 1.0 1.8 5.50 712 700 A 38 LEU H A 55 TYR HDy 1.0 1.8 5.97 713 701 A 38 LEU HDy% A 55 TYR HDy 1.0 1.8 6.01 714 702 A 52 ALA HB% A 55 TYR HDy 1.0 1.8 6.01 715 703 A 55 TYR HDy A 56 LYS HA 1.0 1.8 5.88 716 704 A 18 VAL HA A 55 TYR HEx 1.0 1.8 5.30 717 705 A 57 GLU HBy A 56 LYS H 1.0 1.8 5.89 718 706 A 57 GLU HBx A 56 LYS H 1.0 1.8 4.57 719 707 A 56 LYS HBx A 56 LYS HA 1.0 1.8 6.00 720 708 A 56 LYS HA A 60 ASP HBy 1.0 1.8 6.01 721 709 A 57 GLU H A 56 LYS HBy 1.0 1.8 4.68 722 710 A 56 LYS H A 56 LYS HBx 1.0 1.8 4.59 723 711 A 57 GLU HA A 56 LYS HBx 1.0 1.8 4.76 724 712 A 54 ALA HA A 57 GLU H 1.0 1.8 5.94 725 713 A 57 GLU H A 57 GLU HA 1.0 1.8 5.79 726 714 A 57 GLU H A 57 GLU HBy 1.0 1.8 4.54 727 715 A 57 GLU H A 57 GLU HGy 1.0 1.8 6.00 728 716 A 57 GLU H A 57 GLU HA 1.0 1.8 4.76 729 717 A 57 GLU HA A 57 GLU HBy 1.0 1.8 6.00 730 718 A 57 GLU HA A 57 GLU HBx 1.0 1.8 3.31 731 719 A 57 GLU HA A 61 LYS HGx 1.0 1.8 4.58 732 720 A 57 GLU HBy A 61 LYS HA 1.0 1.8 5.84 733 721 A 54 ALA HA A 57 GLU HBx 1.0 1.8 5.61 734 722 A 57 GLU HBx A 61 LYS H 1.0 1.8 4.72 735 723 A 57 GLU HBx A 61 LYS HGx 1.0 1.8 5.87 736 724 A 58 TYR H A 57 GLU H 1.0 1.8 4.67 737 725 A 58 TYR H A 59 HIS H 1.0 1.8 5.52 738 726 A 58 TYR H A 61 LYS H 1.0 1.8 5.92 739 727 A 59 HIS H A 58 TYR HA 1.0 1.8 5.91 740 728 A 22 GLU HGx A 58 TYR HBy 1.0 1.8 5.66 741 729 A 57 GLU H A 58 TYR HBy 1.0 1.8 6.00 742 730 A 58 TYR H A 58 TYR HBy 1.0 1.8 4.70 743 731 A 58 TYR HA A 58 TYR HBy 1.0 1.8 5.90 744 732 A 58 TYR H A 58 TYR HBx 1.0 1.8 4.71 745 733 A 58 TYR H A 58 TYR HDx 1.0 1.8 5.40 746 734 A 59 HIS H A 58 TYR HDx 1.0 1.8 5.94 747 735 A 58 TYR H A 59 HIS H 1.0 1.8 5.50 748 736 A 59 HIS H A 60 ASP H 1.0 1.8 5.51 749 737 A 59 HIS H A 59 HIS HA 1.0 1.8 5.59 750 738 A 61 LYS H A 60 ASP H 1.0 1.8 5.61 751 739 A 60 ASP HA A 59 HIS HBx 1.0 1.8 4.67 752 740 A 60 ASP H A 60 ASP HA 1.0 1.8 5.07 753 741 A 60 ASP HBy A 60 ASP HA 1.0 1.8 5.92 754 742 A 60 ASP HA A 60 ASP HBx 1.0 1.8 5.49 755 743 A 61 LYS H A 60 ASP HA 1.0 1.8 5.93 756 744 A 57 GLU HA A 60 ASP HBy 1.0 1.8 5.47 757 745 A 59 HIS H A 60 ASP HBy 1.0 1.8 4.75 758 746 A 60 ASP HBy A 60 ASP H 1.0 1.8 4.70 759 747 A 60 ASP HBy A 60 ASP HA 1.0 1.8 5.49 760 748 A 60 ASP HBy A 61 LYS H 1.0 1.8 5.16 761 749 A 60 ASP HBy A 61 LYS HGx 1.0 1.8 4.75 762 750 A 60 ASP HA A 60 ASP HBx 1.0 1.8 5.24 763 751 A 61 LYS HA A 61 LYS H 1.0 1.8 4.26 764 752 A 61 LYS HA A 60 ASP H 1.0 1.8 4.75 765 753 A 61 LYS HA A 61 LYS H 1.0 1.8 4.76 766 754 A 61 LYS HA A 61 LYS HBx 1.0 1.8 4.36 767 755 A 61 LYS HGx A 61 LYS HA 1.0 1.8 6.01 768 756 A 58 TYR H A 61 LYS HBx 1.0 1.8 5.57 769 757 A 61 LYS H A 61 LYS HBx 1.0 1.8 4.75 770 758 A 61 LYS HA A 61 LYS HBx 1.0 1.8 4.42 771 759 A 61 LYS HEy A 61 LYS HDx 1.0 1.8 4.16 772 760 A 61 LYS HGx A 61 LYS H 1.0 1.8 5.75 773 761 A 61 LYS HGx A 61 LYS HA 1.0 1.8 5.38 774 762 A 62 ASN H A 62 ASN HD2x 1.0 1.8 6.00 775 763 A 62 ASN H A 63 GLY H 1.0 1.8 5.79 776 764 A 59 HIS H A 62 ASN HA 1.0 1.8 5.94 777 765 A 61 LYS H A 62 ASN HA 1.0 1.8 5.94 778 766 A 62 ASN H A 62 ASN HA 1.0 1.8 5.43 779 767 A 62 ASN HD2x A 62 ASN HA 1.0 1.8 4.62 780 768 A 63 GLY H A 62 ASN HA 1.0 1.8 5.22 781 769 A 63 GLY H A 62 ASN HBy 1.0 1.8 5.84 782 770 A 61 LYS HGx A 62 ASN HBx 1.0 1.8 4.76 783 771 A 62 ASN H A 62 ASN HBx 1.0 1.8 5.07 784 772 A 62 ASN HD2x A 62 ASN HBx 1.0 1.8 5.76 785 773 A 62 ASN H A 62 ASN HD2y 1.0 1.8 5.99 786 774 A 62 ASN HD2x A 62 ASN HD2y 1.0 1.8 3.53 787 775 A 62 ASN HD2x A 62 ASN HD2y 1.0 1.8 3.51 788 776 A 61 LYS HA A 63 GLY H 1.0 1.8 5.39 789 777 A 63 GLY H A 63 GLY HAx 1.0 1.8 4.94 790 778 A 63 GLY H A 64 GLY H 1.0 1.8 4.93 791 779 A 63 GLY HAx A 63 GLY HAy 1.0 1.8 3.01 792 780 A 63 GLY H A 63 GLY HAx 1.0 1.8 4.72 793 781 A 63 GLY HAx A 63 GLY HAy 1.0 1.8 4.59 794 782 A 63 GLY H A 64 GLY H 1.0 1.8 6.00 795 783 A 64 GLY H A 65 ALA H 1.0 1.8 5.99 796 784 A 64 GLY H A 64 GLY HAy 1.0 1.8 4.44 797 785 A 65 ALA H A 66 ASN H 1.0 1.8 5.67 798 786 A 66 ASN H A 65 ALA HA 1.0 1.8 5.29 799 787 A 64 GLY H A 65 ALA HB% 1.0 1.8 5.64 800 788 A 65 ALA HA A 65 ALA HB% 1.0 1.8 4.74 801 789 A 66 ASN H A 65 ALA HB% 1.0 1.8 5.78 802 790 A 65 ALA HB% A 66 ASN HD2y 1.0 1.8 6.00 803 791 A 65 ALA HB% A 66 ASN HD2x 1.0 1.8 5.97 804 792 A 39 ARG HBy A 66 ASN HA 1.0 1.8 5.96 805 793 A 66 ASN H A 66 ASN HA 1.0 1.8 5.18 806 794 A 66 ASN HD2y A 66 ASN HA 1.0 1.8 4.76 807 795 A 66 ASN HD2x A 66 ASN HA 1.0 1.8 5.14 808 796 A 66 ASN HA A 67 ARG H 1.0 1.8 4.75 809 797 A 36 ALA HB% A 66 ASN HBy 1.0 1.8 6.00 810 798 A 66 ASN H A 66 ASN HBy 1.0 1.8 5.62 811 799 A 66 ASN HD2y A 66 ASN HBx 1.0 1.8 4.69 812 800 A 66 ASN HD2x A 66 ASN HBx 1.0 1.8 5.35 813 801 A 66 ASN HD2y A 66 ASN HD2x 1.0 1.8 3.58 814 802 A 69 VAL H A 67 ARG H 1.0 1.8 5.74 815 803 A 67 ARG H A 67 ARG HA 1.0 1.8 5.51 816 804 A 69 VAL HA A 67 ARG HBx 1.0 1.8 6.01 817 805 A 26 GLU HA A 67 ARG HDx 1.0 1.8 5.99 818 806 A 67 ARG HDx A 67 ARG HE 1.0 1.8 5.13 819 807 A 68 LYS HGy A 67 ARG HDx 1.0 1.8 5.97 820 808 A 67 ARG HBy A 67 ARG HGy 1.0 1.8 5.27 821 809 A 67 ARG HE A 67 ARG HGy 1.0 1.8 5.34 822 810 A 69 VAL H A 67 ARG HGy 1.0 1.8 5.72 823 811 A 69 VAL HA A 67 ARG HGy 1.0 1.8 5.21 824 812 A 36 ALA HA A 67 ARG HGx 1.0 1.8 6.00 825 813 A 66 ASN HD2y A 67 ARG HGx 1.0 1.8 6.01 826 814 A 69 VAL HGx% A 67 ARG HGx 1.0 1.8 5.49 827 815 A 67 ARG HGx A 69 VAL HGy% 1.0 1.8 5.70 828 816 A 69 VAL HA A 68 LYS HBy 1.0 1.8 5.96 829 817 A 38 LEU HG A 68 LYS HBx 1.0 1.8 4.84 830 818 A 67 ARG HGy A 68 LYS HBx 1.0 1.8 6.00 831 819 A 69 VAL HGx% A 68 LYS HBx 1.0 1.8 4.72 832 820 A 38 LEU HG A 68 LYS HDy 1.0 1.8 4.82 833 821 A 67 ARG HBx A 68 LYS HDy 1.0 1.8 5.15 834 822 A 67 ARG HE A 68 LYS HDy 1.0 1.8 5.90 835 823 A 66 ASN HD2y A 68 LYS HDx 1.0 1.8 6.00 836 824 A 68 LYS HDy A 68 LYS HEx 1.0 1.8 4.29 837 825 A 68 LYS HGy A 67 ARG HA 1.0 1.8 5.91 838 826 A 68 LYS HGy A 69 VAL HA 1.0 1.8 6.01 839 827 A 67 ARG H A 68 LYS HGx 1.0 1.8 4.67 840 828 A 68 LYS HGx A 68 LYS HA 1.0 1.8 5.83 841 829 A 69 VAL HGx% A 68 LYS HGx 1.0 1.8 4.72 842 830 A 69 VAL H A 69 VAL HA 1.0 1.8 5.93 843 831 A 69 VAL H A 69 VAL HGy% 1.0 1.8 6.00 844 832 A 68 LYS HGy A 69 VAL HA 1.0 1.8 5.92 845 833 A 69 VAL HA A 68 LYS HGx 1.0 1.8 4.55 846 834 A 69 VAL H A 69 VAL HA 1.0 1.8 4.20 847 835 A 69 VAL HGx% A 69 VAL HA 1.0 1.8 4.89 848 836 A 69 VAL HA A 70 ASN H 1.0 1.8 4.67 849 837 A 69 VAL HA A 71 ASP HBy 1.0 1.8 6.01 850 838 A 69 VAL H A 69 VAL HB 1.0 1.8 4.87 851 839 A 69 VAL HA A 69 VAL HB 1.0 1.8 5.79 852 840 A 70 ASN H A 69 VAL HB 1.0 1.8 5.99 853 841 A 22 GLU H A 69 VAL HGx% 1.0 1.8 4.99 854 842 A 23 SER H A 69 VAL HGx% 1.0 1.8 5.79 855 843 A 69 VAL HGx% A 38 LEU HG 1.0 1.8 4.68 856 844 A 69 VAL HGx% A 67 ARG HGy 1.0 1.8 6.00 857 845 A 69 VAL HGx% A 69 VAL H 1.0 1.8 5.05 858 846 A 69 VAL HGx% A 69 VAL HA 1.0 1.8 5.07 859 847 A 69 VAL HGx% A 69 VAL HB 1.0 1.8 4.72 860 848 A 25 ALA H A 69 VAL HGy% 1.0 1.8 5.28 861 849 A 26 GLU H A 69 VAL HGy% 1.0 1.8 5.52 862 850 A 36 ALA HB% A 69 VAL HGy% 1.0 1.8 4.82 863 851 A 69 VAL HA A 69 VAL HGy% 1.0 1.8 5.95 864 852 A 69 VAL HGy% A 70 ASN H 1.0 1.8 5.13 865 853 A 69 VAL HA A 70 ASN H 1.0 1.8 5.13 866 854 A 70 ASN H A 70 ASN HBx 1.0 1.8 6.00 867 855 A 70 ASN H A 70 ASN HD2y 1.0 1.8 6.00 868 856 A 69 VAL HGy% A 70 ASN HA 1.0 1.8 5.82 869 857 A 70 ASN H A 70 ASN HA 1.0 1.8 5.33 870 858 A 70 ASN HBx A 70 ASN HA 1.0 1.8 4.50 871 859 A 71 ASP H A 70 ASN HA 1.0 1.8 4.69 872 860 A 71 ASP HBx A 70 ASN HA 1.0 1.8 4.33 873 861 A 22 GLU HA A 70 ASN HBy 1.0 1.8 5.80 874 862 A 70 ASN HBy A 70 ASN HA 1.0 1.8 5.52 875 863 A 71 ASP H A 70 ASN HBy 1.0 1.8 4.74 876 864 A 70 ASN H A 70 ASN HBx 1.0 1.8 4.75 877 865 A 70 ASN HBx A 70 ASN HD2y 1.0 1.8 4.78 878 866 A 70 ASN HBx A 70 ASN HD2x 1.0 1.8 5.12 879 867 A 32 LYS HEy A 70 ASN HD2y 1.0 1.8 4.88 880 868 A 70 ASN H A 70 ASN HD2y 1.0 1.8 5.90 881 869 A 70 ASN HD2y A 70 ASN HD2x 1.0 1.8 3.91 882 870 A 69 VAL H A 70 ASN HD2x 1.0 1.8 5.62 883 871 A 70 ASN HD2y A 70 ASN HD2x 1.0 1.8 4.08 884 872 A 71 ASP H A 35 ASP HBx 1.0 1.8 5.19 885 873 A 71 ASP H A 70 ASN H 1.0 1.8 5.72 886 874 A 70 ASN HBx A 71 ASP HA 1.0 1.8 5.98 887 875 A 71 ASP H A 71 ASP HA 1.0 1.8 5.17 888 876 A 71 ASP HBy A 71 ASP HA 1.0 1.8 5.48 889 877 A 71 ASP HBx A 71 ASP HA 1.0 1.8 5.91 890 878 A 71 ASP HBy A 71 ASP HA 1.0 1.8 6.00 891 879 A 71 ASP HBx A 71 ASP H 1.0 1.8 4.68 892 880 A 71 ASP HBx A 71 ASP HA 1.0 1.8 5.84 stop_ save_